diff --git "a/O15379_molecules.csv" "b/O15379_molecules.csv"
--- "a/O15379_molecules.csv"
+++ "b/O15379_molecules.csv"
@@ -1,88568 +1,3 @@
-Molecule_ID,SMILES,InChI_Key
-rxn:2:100605:156075,CCOc1ccc2ccccc2c1C(CN1CCOCC1)NC1(c2ncc(C3CCN(C)CC3)[nH]2)CC1,ORBJXPRYHNZYOD-UHFFFAOYSA-N
-rxn:2:100843:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3NCc2c(C3CCN(C)CC3)nc3n2CCCC3)cn1,QNCUWTDXJKBSPE-UHFFFAOYSA-N
-rxn:2:100949:109800,CCC(C(NC1CN(c2cc(C)ccc2OC)CCC1(C)C)c1ccccc1)N1CCCOCC1,QNIPIBRNGVRHQH-UHFFFAOYSA-N
-rxn:2:101149:147809,CCCC[C@]1(NC(c2ccccn2)c2ccccc2OCOC)CC[C@H](C(C)(C)C)CC1,UIRVGEJWPORCBG-PPJMXFFBSA-N
-rxn:2:101404:157599,COc1ccc2c(c1)C(NCCCS(=O)(=O)[O-])CC1(CCS(=O)(=O)CC1)O2,XQKDHINSAZZBAH-UHFFFAOYSA-M
-rxn:2:101695:126170,CCCC(C(Nc1cc2c(cc1CC)CCN(C)C2)c1ccc2c(c1)CCC2)N1CCCC1,YUYOAQDCSXBART-UHFFFAOYSA-N
-rxn:2:101695:171582,CCCC(C(Nc1cc2c(cc1CC)CCN(C)C2)c1ccc2c(c1)CCCC2)N1CCCC1,RGHABYNNEUHCQN-UHFFFAOYSA-N
-rxn:2:102007:143973,Cc1cc(NC2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)cc(C)c1N1CCN(C)CC1,DUKGZQOAPKNADO-UHFFFAOYSA-N
-rxn:2:102308:119356,CCOc1cc(NC(C)c2cnccc2OCC2(C)CCC2)cnc1N1CCCC(C)C1,PAKPMYVEPVCSDD-UHFFFAOYSA-N
-rxn:2:103029:143973,CN1CCN(Cc2ccc(NC3CCN(C4=NS(=O)(=O)c5ccccc54)CC3)nc2)CC1,QMPDOJHYGNNKJB-UHFFFAOYSA-N
-rxn:2:103840:169450,CCC(C)c1ccccc1-c1cnn(C2CCC(Nc3ccc(CCN4CCCC4)cc3OC)CC2)c1,RGGKNHNSUOUXKE-UHFFFAOYSA-N
-rxn:2:105477:139721,CC(C)CCC(NC(C)Cc1ncn2c1CC(N(C)C)CC2)C(C)C,QHJCPMMUAAOXBV-UHFFFAOYSA-N
-rxn:2:105800:149239,CC(=O)c1ccc(C2C(CSC(C)Nc3cc(=O)[nH]n3C(C)C3CCCOC3)C2(F)F)c(C)c1,LZZYNVSUTKEJPO-UHFFFAOYSA-N
-rxn:2:106143:171798,COCCN1CCC(CNC(c2cccc(-c3ccc4c(c3)OCO4)c2)C(C)(C)C)CC1,ZYYHDRJBIYOCCT-UHFFFAOYSA-N
-rxn:2:106660:143973,CC(C)N1CCN(c2cc(NC3CCN(C4=NS(=O)(=O)c5ccccc54)CC3)ncn2)CC1,KKJDHAMVCUVWHE-UHFFFAOYSA-N
-rxn:2:106953:172051,Cc1ccc(C(NC(C2CCCCC2)C2CCCCC2)c2ccc(C(C)(C)C)cc2)cc1C,LSXHQKKIPPOWPZ-UHFFFAOYSA-N
-rxn:2:108479:154391,CC(CCCCn1c(=O)c2nc[nH]c2n(C)c1=O)NCc1nccc(N2CCC(N(C)C)CC2)n1,GCMZMQIRANYJQX-UHFFFAOYSA-N
-rxn:2:108716:114498,CCCCOc1ncc(C)cc1NC(CC)CN1CCC(N(C)C)CC1,QPPYKZWMEJRDRG-UHFFFAOYSA-N
-rxn:2:109523:115428,COC1C(C)C(NC2CCCC2c2ccc(C(C)(C)C)cc2)C12CCC2,PYQPVHNPZAOJFU-UHFFFAOYSA-N
-rxn:2:109877:143973,CN1CCC(COc2cc(CNC3CCN(C4=NS(=O)(=O)c5ccccc54)CC3)ccn2)CC1,FYHVXAAQIWPVGE-UHFFFAOYSA-N
-rxn:2:110151:114498,CCC(CN1CCC(N(C)C)CC1)Nc1c(C)nc(N2CCN(C)CC2)nc1C,KQFWUNPXZRGNOV-UHFFFAOYSA-N
-rxn:2:111099:126600,Cc1ccc(C(C)NCc2cn(CCN3CCCN(C)CC3)nn2)c(OS(=O)(=O)F)c1,WSYLVBSZVHIIEI-UHFFFAOYSA-N
-rxn:2:111431:84558,CCCN1Cc2ccc(C(C)NCC3(S(=O)(=O)CC)CCCC3)cc2C1,DHNSYXSXXXQCSW-UHFFFAOYSA-N
-rxn:2:111610:124420,CCN(CC(NC1(COS(=O)(=O)[O-])CCCC1)c1cccs1)C1CC1,HGTBALVYRLYIPV-UHFFFAOYSA-M
-rxn:2:111645:148780,CCN1CCN(c2ccc(NC(C)c3ncc(-c4ccccc4CN4CCOCC4)cn3)cc2OC)CC1,MGGOURIQBJTDGR-UHFFFAOYSA-N
-rxn:2:112001:73038,CCC(NCC(c1cccnc1)N1CCC(OC)CC1)c1cnc(N2CCN(CC)CC2)cc1C,VOBNGVDTGFNUPM-UHFFFAOYSA-N
-rxn:2:112001:79723,CCC(NCC(c1cccnc1)N1CCC(OC)CC1)c1ccc(N2CCN(CC)CC2)nc1C,AWBMANGCNFIKHM-UHFFFAOYSA-N
-rxn:2:112174:163119,CC(CCCCn1cnc2c1c(=O)n(C)c(=O)n2C)Nc1ccc(N2CCC(C(C)(F)F)CC2)nc1,KPAJBIRUNPHUIE-UHFFFAOYSA-N
-rxn:2:112507:145726,CCc1nc2ccc(-c3ccccc3C(C)NCCN3CCC4(CC3)CC(OC)CCO4)cc2[nH]1,YYVNXYOTEVYPMQ-UHFFFAOYSA-N
-rxn:2:112703:161239,CCOC1(CNC(CSc2n[nH]c(=O)[nH]c2=O)c2cccc(OC)c2)CCS(=O)(=O)CC1,IKMYOOWHAWGLDE-UHFFFAOYSA-N
-rxn:2:113238:144460,CCC(NC1(c2nc(C(C)C)cc(=O)[nH]2)CCCCC1)c1cccc(C2C(CSC(C)=O)C2(F)F)c1,ASRGLVIYDMLJAY-UHFFFAOYSA-N
-rxn:2:113376:136383,CCCCS(=O)(=O)c1ccccc1NC(CCC)C1CCCN1C1CC1,KTIFTWVNTWPOCO-UHFFFAOYSA-N
-rxn:2:113378:134989,CC(NOCC1CCN(C2CCS(=O)(=O)C2)CC1)c1cccc(S(=O)(=O)F)c1,FMPITRNZGUOGPO-UHFFFAOYSA-N
-rxn:2:113378:167684,COc1ccc(C(NOCC2CCN(C3CCS(=O)(=O)C3)CC2)c2ccc3c(c2)OCO3)cc1,ORSLAGXMDRPQPA-UHFFFAOYSA-N
-rxn:2:113632:143973,CN1CCN(c2cc(NC3CCN(C4=NS(=O)(=O)c5ccccc54)CC3)nc(C3CC3)n2)CC1,UTAWGDZSMKGJSZ-UHFFFAOYSA-N
-rxn:2:113766:133491,CCOc1cc2c(cc1NC(c1ccccc1)C(C)N1CCC(CC)CC1)CN(C)CC2,MTNNPXDPKPSIMN-UHFFFAOYSA-N
-rxn:2:113766:171582,CCCC(C(Nc1cc2c(cc1OCC)CCN(C)C2)c1ccc2c(c1)CCCC2)N1CCCC1,KIBCYHJAWVEGBX-UHFFFAOYSA-N
-rxn:2:113883:81090,CCCN1CCN(c2ccc(NC(C)c3ccc(N4CCN(C)CC4)s3)cc2C)CC1,WDRMCKCOZIYZQM-UHFFFAOYSA-N
-rxn:2:113889:137038,CC1(C)Cc2ccc(C(C)(C)C)cc2C(N[C@@H]2CCC[C@H](C3CC3)C2)C1,RPFPKUKZIQFMSZ-ZBUVYOTDSA-N
-rxn:2:113967:123308,C=C=Cc1ccc(C(NCC2(OC)CCC(C)(C)C2)C(C)C2CC2)cc1,NTGJMMJDPSDXMC-UHFFFAOYSA-N
-rxn:2:114381:75288,CCC(NC1CCN(c2ccc3c(c2)CCC3)CC1)C1CCN(c2ccc(OC)cc2)C1,LWCVFZUQCGVWDC-UHFFFAOYSA-N
-rxn:2:114513:65817,CCC(NC1CC2(CCCC2)Oc2cc(C)ccc21)C1CCN(c2ccccc2OC)C1,HCXNEXRAWNYYBY-UHFFFAOYSA-N
-rxn:2:115504:130197,CCC(Nc1cc2c(cc1N1CCN(C)CC1)OCO2)c1ccc(N2CCN(C)CC2)nc1C,AADILZFZAXXLEC-UHFFFAOYSA-N
-rxn:2:115807:163119,CC(CCCCn1cnc2c1c(=O)n(C)c(=O)n2C)Nc1cccnc1N1CCC(C(C)(F)F)CC1,XTYJXIJJCZPSBP-UHFFFAOYSA-N
-rxn:2:115952:152258,CCC(Nc1ccc(N2CCC(C)(COC)CC2)nc1)c1cccc(-c2cnc(N3CCOCC3)nc2)c1,ANTYZYQLMXOEPB-UHFFFAOYSA-N
-rxn:2:117066:120197,CC(NCC1(C(C2CCOCC2)N(C)C)COC1)c1ccc(OS(=O)(=O)[O-])cc1,XNUUWLMYKZHIHD-UHFFFAOYSA-M
-rxn:2:117066:140178,CC(NCC1(C2CCS(=O)(=O)C2)CCC1)c1ccc(OS(=O)(=O)[O-])cc1,HLEZENJJECUNGJ-UHFFFAOYSA-M
-rxn:2:118257:142719,CCn1c2c(cc(NC(C)c3c(N4CCN(C)CC4)[nH]c4c(C)ccc(C)c34)c1=O)CN(C)CC2,YNWJCFCBPKQEJK-UHFFFAOYSA-N
-rxn:2:118257:143955,CCn1c2c(cc(NC(C)c3c(N4CCN(C)CC4)[nH]c4cc(C)cc(C)c34)c1=O)CN(C)CC2,CTXLCKYPYZMRNE-UHFFFAOYSA-N
-rxn:2:120273:143818,CC(CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)Nc1ccc(N2CCN(CCN(C)C)CC2)cc1,AMRXLZFDMBTOTQ-UHFFFAOYSA-N
-rxn:2:120506:78392,CCCCCn1nc(C)c(NC2CCC(N(C)CCOC)CC2)c1C,BHQKIFREOSVNKY-UHFFFAOYSA-N
-rxn:2:121050:164299,CC(NC1(CN2CCS(=O)(=O)CC2)CCCCC1)c1csc(-c2ccc(N3CCOCC3)nc2)c1,PPNWHLGWGCJENE-UHFFFAOYSA-N
-rxn:2:122613:128555,CCCC(NCc1ccc(OC)c(CN2CCOCC2)c1)C1CCN(c2cnccn2)CC1,XBGQYXBBTWSZTJ-UHFFFAOYSA-N
-rxn:2:122904:143973,Cc1c(CNC2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)cnn1C1CCS(=O)(=O)CC1,TXSRGFRUTXKAGN-UHFFFAOYSA-N
-rxn:2:123036:122881,CCOc1nc(N2CCC(C)(C)CC2)ccc1NC(C)c1ccccc1OCC1CCCN(C)C1,MZJFPVSVOSHEBR-UHFFFAOYSA-N
-rxn:2:123036:143099,CCOc1nc(N2CCC(C)(C)CC2)ccc1NC(CC)c1cnc(N2CCc3ccccc3C2)cc1C,FVGHYKRPGGJAPY-UHFFFAOYSA-N
-rxn:2:123036:146699,CCOc1nc(N2CCC(C)(C)CC2)ccc1NC(CC)c1cccc(-c2ccc(N3CCCC3)nc2)c1,AILSRHQYAZGUGE-UHFFFAOYSA-N
-rxn:2:123036:163136,CCOc1nc(N2CCC(C)(C)CC2)ccc1NC(C)c1ccccc1-c1cnc(N2CCOCC2)nc1,PUCFSFRRRSXNHP-UHFFFAOYSA-N
-rxn:2:123036:164299,CCOc1nc(N2CCC(C)(C)CC2)ccc1NC(C)c1csc(-c2ccc(N3CCOCC3)nc2)c1,AFYGNLXULYDHDQ-UHFFFAOYSA-N
-rxn:2:123036:172373,CCCC(C(Nc1ccc(N2CCC(C)(C)CC2)nc1OCC)c1ccc2ccccc2c1)N1CCCC1,AFOCZWNXBPVMCR-UHFFFAOYSA-N
-rxn:2:123418:168561,CC(NC(C#CN1CCCCC1)c1ccc2[nH]c(=O)[nH]c2c1)c1ccccc1OC(C)C(C)(C)C,RESAVGDEQYXDJS-UHFFFAOYSA-N
-rxn:2:123907:140239,CC(NC1CCCCCCCCC1)c1ccc(C(C)(C)C)cc1C(C)(C)C,WMPFGCNVWIIEDD-UHFFFAOYSA-N
-rxn:2:124727:172373,CCCC(C(Nc1c(C(C)C)c2c([nH]c1=O)CCN(C)C2)c1ccc2ccccc2c1)N1CCCC1,XQKPMYYYIHFBIW-UHFFFAOYSA-N
-rxn:2:124978:140837,CCCC(CCC1CCCC1)NC1CCCCCC1CN(C)CC(C)(C)C,MBHUWPFTYCNLLZ-UHFFFAOYSA-N
-rxn:2:124978:88214,CCCC1CCC(C2CCC(NC3CCCCCC3CN(C)CC(C)(C)C)CC2)CC1,VBZYYXDDGRGLPJ-UHFFFAOYSA-N
-rxn:2:125295:130348,CC12CN3CN(C1)CC(c1cccs1)(C3)C2NC1CC(CS(=O)(=O)F)C1,JSZNJWNCDIMMGZ-UHFFFAOYSA-N
-rxn:2:126188:150450,COC1CC(C)(C)CC(C)(CNC(c2ccc(C)cc2)c2ccc(CN3CCCC3)cc2)C1,QWYLLMNVZUOOPX-UHFFFAOYSA-N
-rxn:2:126757:152317,CC(CN1CCN(Cc2ccncc2)CC1)NC(C)c1ccc(OCc2ccccc2)c2c1=CCC(=O)N=2,GUBJANMFADGOSM-UHFFFAOYSA-N
-rxn:2:127151:171582,CCCC(C(NC1CCCc2cc(OC(C)C)ccc21)c1ccc2c(c1)CCCC2)N1CCCC1,GMVICEFOOYLABN-UHFFFAOYSA-N
-rxn:2:127443:136378,CN1CCC(c2cccc(NC3CCN(CCOS(C)(=O)=O)CC3)c2)CC1,XUCMTGRVPMEOPK-UHFFFAOYSA-N
-rxn:2:128221:132988,CN(C)C1CCCC(NC2CCCN(C(C)(C)C)C2)CC1,LFICGVKZUJJAID-UHFFFAOYSA-N
-rxn:2:128748:147968,CCCCC(/N=c1\ncc2c([nH]1)CC(C)(C)CC2=O)Nc1ccc(N2CCN(C)CC2)cc1OCCC,KJXPGIPQFMKISV-UHFFFAOYSA-N
-rxn:2:128765:98580,CC(NCC(C)(C(C)C)N1CCC(N(C)C)CC1)c1cc(C2CC2)n(C)n1,VTMALOPXPSNONW-UHFFFAOYSA-N
-rxn:2:130655:167778,CCC(NC(C)c1cc2c(cc1-c1cccnc1OC)OCCO2)c1cnc(N2CCCCCC2)cc1C,MNHUWKTZESFFMF-UHFFFAOYSA-N
-rxn:2:131688:85423,COc1ccc(C(CC2CCCC2)NCC(c2ccc(C(C)(C)C)cc2)N2CCCC2)cc1,NELJNYGNGOIYGE-UHFFFAOYSA-N
-rxn:2:132135:143751,CCC1CCN(Cc2cc(NC(C)c3c(OC)cccc3-c3ccn(C4COC4)n3)ccc2OC)CC1,XQXAQBISNUGQGL-UHFFFAOYSA-N
-rxn:2:132135:145364,CCC1CCN(Cc2cc(NC(CN3CCCCC3)c3ccc4[nH]c(C5CC5)nc4c3)ccc2OC)CC1,LVAOWWZDZSJQRP-UHFFFAOYSA-N
-rxn:2:132135:164265,CCC1CCN(Cc2cc(NC(C)c3ccc(OC)c(-c4cnn(C5CCOC5)c4)c3)ccc2OC)CC1,KYOQJVUHCNGFML-UHFFFAOYSA-N
-rxn:2:132135:166817,CCC1CCN(Cc2cc(NC3CCN(C4Cc5cccc6cccc4c56)CC3)ccc2OC)CC1,WQBMZGDRXALVJE-UHFFFAOYSA-N
-rxn:2:132456:130181,Cc1cccc(C(COCC2CCCCC2)NC2CC(C)(C)CCc3ccc(C)cc32)c1,JUXSZSDJOXVNTB-UHFFFAOYSA-N
-rxn:2:132505:171582,CCCC(C(NCc1ccc2c(c1)CN(C)C2)c1ccc2c(c1)CCCC2)N1CCCC1,GTHNFUUIUXKRLD-UHFFFAOYSA-N
-rxn:2:132769:135083,CCC(NC(Cc1ccccc1)c1ccc(OC)cc1)C(N1CCCN(C)CC1)C(C)(C)C,CDZNIPIDFRFJLU-UHFFFAOYSA-N
-rxn:2:132769:167785,CCC(NC(C#Cc1ccccc1)c1ccc(OC)cc1)C(N1CCCN(C)CC1)C(C)(C)C,RZVSYKIPUYKDOD-UHFFFAOYSA-N
-rxn:2:132769:170693,CCC(NC(c1ccccc1)c1ccc2cc(OC)ccc2c1)C(N1CCCN(C)CC1)C(C)(C)C,YOZDMQFMTXKBSF-UHFFFAOYSA-N
-rxn:2:132803:144188,CCN1CCC(CNC(C)c2ccc(OC)c(-c3cnc4cc[nH]c4c3)c2)(N2CCOCC2C)CC1,PDTGTEGXLORANJ-UHFFFAOYSA-N
-rxn:2:133216:152258,CCC(NCC1(c2ccc(OC)c(C)c2OC)CC1C)c1cccc(-c2cnc(N3CCOCC3)nc2)c1,FXWMCWFEADXQTO-UHFFFAOYSA-N
-rxn:2:133218:143973,CN1CCCC(Oc2ccncc2NC2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)C1,FKUYHURJDMVIHB-UHFFFAOYSA-N
-rxn:2:133959:133985,CCC(CC)C(=O)Oc1cccnc1NC1CCN(CCCOC)CC1,NDHDCCIMQTZKOS-UHFFFAOYSA-N
-rxn:2:133959:78392,CCC(CC)C(=O)Oc1cccnc1NC1CCC(N(C)CCOC)CC1,SIJGSVLPBNFQIK-UHFFFAOYSA-N
-rxn:2:134212:141711,CCOCC1CCN(c2ccc(NC(CC)c3cnc(N4CCN(CC)CC4)c(C)c3)cn2)C1,CPHFHTZPSXNJCM-UHFFFAOYSA-N
-rxn:2:134487:172875,CC(C)(C)OCc1ccccc1-c1cccc2c1C(NCC(N1CCCC1c1ccccc1)C(C)(C)C)CC2,OTLGURMZPZXQNS-UHFFFAOYSA-N
-rxn:2:134766:143973,O=S1(=O)CCN(c2cccc(CNC3CCN(C4=NS(=O)(=O)c5ccccc54)CC3)c2)CC1,GZIAJWHDEUUGCE-UHFFFAOYSA-N
-rxn:2:135637:154155,CN1CCC(n2nc3c(c2CNC2COc4ccc(-c5cnn(S(C)(=O)=O)c5)cc42)C2CC2C3)CC1,ANKDMPAKBIGXGQ-UHFFFAOYSA-N
-rxn:2:136378:131379,CC(C1CC1(F)F)n1[nH]c(=O)cc1NC1CCN(CCOS(C)(=O)=O)CC1,UAUNNPOOYPKFMP-UHFFFAOYSA-N
-rxn:2:137660:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3NCc2c(C3CCCN(C)C3)nc3n2CCCC3)cn1,QGWNUSURALIOHI-UHFFFAOYSA-N
-rxn:2:137809:168480,COCCC(Nc1ccc(S(=O)(=O)N=S(C)(C)=O)cc1)C1CCCCC1,JPXUIZRHVKUPKS-UHFFFAOYSA-N
-rxn:2:138759:149333,CCN1CCC(COc2ncc(NC(C)c3ccc(-c4ccc(N5CCCC5)nc4)cc3OC)cn2)CC1,BJQQZUMCVKSXLC-UHFFFAOYSA-N
-rxn:2:140012:169191,CCC(NCCCN1CCC2(CC(OC)CCO2)C1)c1ccc(-c2cnc3[nH]ccc3c2)cc1C,CVGJFLLYDZZCEH-UHFFFAOYSA-N
-rxn:2:140012:171917,CCCC(NCCCN1CCC2(CC(OC)CCO2)C1)c1ccc(-c2nc3ccccc3[nH]2)cc1,CKXFQPYHWNQLPE-UHFFFAOYSA-N
-rxn:2:140449:102673,CC(CN1CCCC1)C(Nc1ccccc1OCCN1CCC(C)(C)CC1)c1ccccc1,VTIOCIWLYPRLQQ-UHFFFAOYSA-N
-rxn:2:140449:106366,CC(CN1CCCCC1)C(Nc1ccccc1OCCN1CCC(C)(C)CC1)c1ccccc1,HKWQJKYMHVXFQK-UHFFFAOYSA-N
-rxn:2:140449:128836,CC(C(Nc1ccccc1OCCN1CCC(C)(C)CC1)c1ccccc1)N1CCCC1,DUMUBFLABYQERX-UHFFFAOYSA-N
-rxn:2:140449:69400,CC(C)CC(Nc1ccccc1OCCN1CCC(C)(C)CC1)c1ccc2c(c1)CCCC2,PWIDAGUBZSIODS-UHFFFAOYSA-N
-rxn:2:141435:143099,CCC(Nc1ccc(N2CCC(C)C2)nc1OCC(C)C)c1cnc(N2CCc3ccccc3C2)cc1C,BZNKQHUYLIWHBL-UHFFFAOYSA-N
-rxn:2:141808:169898,CCCC1CCC(NC(c2c[nH]c3ccccc23)C2C(C)(C)C2(C)C)(c2ccccc2OC)CC1,QMJCKFOPKZTBJM-UHFFFAOYSA-N
-rxn:2:143193:85280,CCCO[C@H]1CC[C@@](C)(N2CCC(Nc3cc(-c4cn5ccccc5n4)ccc3CC)CC2)CC1,ACVXGAYSWLGTDG-PBKLGGSISA-N
-rxn:2:148846:171582,CCCC(C(Nc1c(-c2ccc(OC)cc2)c(C2CC2)nn1C)c1ccc2c(c1)CCCC2)N1CCCC1,RZHAGAMKBBCBBR-UHFFFAOYSA-N
-rxn:2:149253:131857,CCCC(NCC1(c2c[nH]c3cnccc23)CCN(C)CC1)c1ccc2c(c1)N(CCC)CCC2,LQLKHPYHXAJYRW-UHFFFAOYSA-N
-rxn:2:151024:171582,CCCC(C(Nc1ccnn1C1CCCc2cc(OC)ccc21)c1ccc2c(c1)CCCC2)N1CCCC1,WYEJYFUHHMIAAA-UHFFFAOYSA-N
-rxn:2:151781:89364,COc1ccc2[nH]cc([C@H](NC(c3c(C)cc(C(C)(C)C)cc3C)C3CCCC3)C3CCC3)c2c1,DZUOHVSSNUFRAK-PBBFAOSKSA-N
-rxn:2:152236:85280,CCCO[C@H]1CC[C@@](C)(N2CCC(Nc3cccc(-c4nc5c(C)cccc5[nH]4)c3C)CC2)CC1,XXRLXKNFGFFJCW-LSYIEPEESA-N
-rxn:2:153443:140582,CCC(Nc1c(OCCC(C)C)ccc2ncccc12)C1CCN(C2CCC2)CC1,NDGBWPLSQAYRBU-UHFFFAOYSA-N
-rxn:2:153568:131146,CCc1nn(-c2cccnc2C2CC2)c(NC(C)c2ccc(OCC3CCCN(C)C3)c(OC)c2)c1C,BRFRHCIEBJPIPJ-UHFFFAOYSA-N
-rxn:2:154760:107393,CC1Cc2nc(N3CCN(C)CC3)ncc2C(NC(C)(C)CN(C)Cc2ccc3[nH]c(=O)[nH]c3c2)C1,YCHLVGIKDJOXMF-UHFFFAOYSA-N
-rxn:2:156613:141891,COc1ccc2[nH]cc([C@H](CC3CC3)NC(c3ccc(C)c(C(C)(C)C)c3)C3CCCCC3)c2c1,DHPKXUAZGNUNKV-FSRLHOSWSA-N
-rxn:2:158112:114498,CCC(CN1CCC(N(C)C)CC1)Nc1ncnc2c1[nH]c(=O)n2CCCN(C)C,HUFRKWCDDCCYDT-UHFFFAOYSA-N
-rxn:2:159988:89364,COc1ccc2[nH]c3c(c2c1)CCCC3CNC(c1c(C)cc(C(C)(C)C)cc1C)C1CCCC1,JVDVJINXLWMYCB-UHFFFAOYSA-N
-rxn:2:164412:171582,CCCC(C(Nc1c(-c2ccc(OC)cc2)c(C)nn1C1CC1)c1ccc2c(c1)CCCC2)N1CCCC1,WXNLSQQVMVGXBO-UHFFFAOYSA-N
-rxn:2:164865:171582,CCCC(C(Nc1cc(-c2ccc(OC)cc2)nc(C2CC2)n1)c1ccc2c(c1)CCCC2)N1CCCC1,JKIZHROAPLZFCB-UHFFFAOYSA-N
-rxn:2:165855:108821,COCC(C)(NC1CCCN(c2cc(C)ccc2OC)C1(C)C)c1ccc2[nH]c(C3CC3)nc2c1,MGKYJAWCANIMCV-UHFFFAOYSA-N
-rxn:2:167497:143973,CN1CCC(c2cn(C)c3cccnc23)C(NC2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)C1,BOXWDVNZSATNPI-UHFFFAOYSA-N
-rxn:2:66481:132855,CON1CCC(NC(c2ccc(C(C)(C)C)cc2)C2COCCO2)CC1,OUKLEYTZDJBLGA-UHFFFAOYSA-N
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-rxn:2:67409:134989,CC(NCCC1(N2CCN(C)CC2)CSC1)c1cccc(S(=O)(=O)F)c1,UBPVTJUBHQIONK-UHFFFAOYSA-N
-rxn:2:67409:141610,CC(NCCC1(N2CCN(C)CC2)CSC1)c1ccc(S(=O)(=O)[O-])cc1,JCBGEUHUKSYYHZ-UHFFFAOYSA-M
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-rxn:2:67765:74005,CC(C)Cc1cc(C(C)NCC(C)(C)N2CCC(N(C)C)CC2)n(C)n1,JZAICOVXBORZRV-UHFFFAOYSA-N
-rxn:2:68576:139310,COc1cccc(C(CC2=NCCO2)NCC2CC(OS(C)(=O)=O)C2)c1,BAHFEXWEFDWBGF-UHFFFAOYSA-N
-rxn:2:69356:90528,CCC(Nc1cccc2c1CCN(C(C)CCOC)C2)c1cnc(N2CCOCC2)cc1C,WLEQRIWKGQOEOP-UHFFFAOYSA-N
-rxn:2:70172:149822,CCC(NC1(c2ncc[nH]2)CC(C)(C)CC1C)c1ccc(C2C(CSC(C)=O)C2(F)F)cc1,NGXNHYRSMQLUAF-UHFFFAOYSA-N
-rxn:2:70251:119754,CCC1C(F)(F)C12CCC(NCCCN1CCC(N(C)C)CC1)CC2,SNILJRXHUPSSOE-UHFFFAOYSA-N
-rxn:2:70694:141610,CC(NCC(C1CCOCC1)N1CCN(C)CC1)c1ccc(S(=O)(=O)[O-])cc1,GOPWUXJPIBHNRX-UHFFFAOYSA-M
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-rxn:2:72102:93442,CCN1CCCCCC1CC(NCC1(S(=O)(=O)CC)CC1)c1cccs1,DYAFZSWSZRSTDG-UHFFFAOYSA-N
-rxn:2:72215:143099,CCC(NC(C)CN1CCN(c2ccccc2OC)CC1)c1cnc(N2CCc3ccccc3C2)cc1C,GEWPQILOFQNIFV-UHFFFAOYSA-N
-rxn:2:72215:147968,CCCCC(/N=c1\ncc2c([nH]1)CC(C)(C)CC2=O)NC(C)CN1CCN(c2ccccc2OC)CC1,GMBRZVKGTYBCBK-UHFFFAOYSA-N
-rxn:2:72330:126600,Cc1ccc(C(C)NCCN2CC[C@@H](N(C)C3CC3)C2)c(OS(=O)(=O)F)c1,ZNRVLDLMERZCQP-OMOCHNIRSA-N
-rxn:2:72495:119356,CCN1CCC(CN2Cc3ccc(NC(C)c4cnccc4OCC4(C)CCC4)cc3C2)C1,CAEVBFCCAUTGQE-UHFFFAOYSA-N
-rxn:2:72687:149130,CCc1nc2cc(C(CCN3CCCCC3)Nc3ccc(N4CCC(COC)CC4)nc3)ccc2[nH]1,MCYOONRDQXYPHR-UHFFFAOYSA-N
-rxn:2:73334:142451,CC(=O)c1cncc(C2C(CCSC(C)Nc3cc(=O)[nH]n3C(C)C3(C)CC3)C2(F)F)c1,ZISDGUXRUFEDMC-UHFFFAOYSA-N
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-rxn:2:73884:143973,CN1CCCC(n2nc3c(c2NC2CCN(C4=NS(=O)(=O)c5ccccc54)CC2)C2CC2C3)C1,ABILNXVFANFGJU-UHFFFAOYSA-N
-rxn:2:73905:136378,COc1ccc([C@H](C)NC2CCN(CCOS(C)(=O)=O)CC2)c(OC)c1,YYFUGOXTCPKVFO-AWEZNQCLSA-N
-rxn:2:73980:146616,CCC(NC1CN(CCCOC)CCC1(C)C)c1ccc(-c2cccnc2OC)cc1C,QREMKWWYGADGNU-UHFFFAOYSA-N
-rxn:2:74153:163119,CC(CCCCn1cnc2c1c(=O)n(C)c(=O)n2C)Nc1cccnc1N1CCC(N(C)C)CC1,ARDOHEGIJMSSDW-UHFFFAOYSA-N
-rxn:2:74307:156355,CCCO[C@H]1CC[C@](C)(NC(C)c2cc(C)ccc2-c2ccc(N3CCCC3)nc2)CC1,PUILSUNQHBEYTC-CHNBZRLNSA-N
-rxn:2:74484:92636,CCC(CN(C)Cc1ccsc1)NCC1(S(=O)(=O)CC)CC2(CC2)C1,RKRKIMXIBZWMPP-UHFFFAOYSA-N
-rxn:2:74888:141610,CC(NCC(C1CCOC1)N1CCC(N(C)C)CC1)c1ccc(S(=O)(=O)[O-])cc1,DMVAIOQMVMIUDF-UHFFFAOYSA-M
-rxn:2:75815:171582,CCCC(C(NC1CCCN(Cc2ccc(OC)cc2)C1)c1ccc2c(c1)CCCC2)N1CCCC1,HXINQLHYTQQQSP-UHFFFAOYSA-N
-rxn:2:76532:153712,COC1CCOC2(CCN(CCCNC(C)c3ccccc3-c3ccc4[nH]ncc4c3C)CC2)C1,QBKZAMITZUBPMK-UHFFFAOYSA-N
-rxn:2:76744:119811,CCCC1CCN(c2cccc(NC3CCN([C@H]4CCc5ccccc54)CC3)c2C)CC1,GVJVTCIXFMJIOZ-LJAQVGFWSA-N
-rxn:2:76797:143973,CC(C)OC1(CNC2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)CS(=O)(=O)C1,FMSPTMDVSCJQII-UHFFFAOYSA-N
-rxn:2:76868:143973,CC(C)CN1CCCCC1c1cccnc1NC1CCN(C2=NS(=O)(=O)c3ccccc32)CC1,VKEPOWNEUUCVRA-UHFFFAOYSA-N
-rxn:2:77052:149130,CCc1nc2cc(C(CCN3CCCCC3)Nc3cnccc3OC3CCN(CC)CC3)ccc2[nH]1,WPNXLCMUNWLXDP-UHFFFAOYSA-N
-rxn:2:77317:168624,COC1C(NC(CS(C)(=O)=O)c2ccc(S(C)(=O)=O)cc2)CC12CCC2,TXWXDFVJKDNUFE-UHFFFAOYSA-N
-rxn:2:77529:143973,CC1CCCN(c2ncc(C(C)NC3CCN(C4=NS(=O)(=O)c5ccccc54)CC3)s2)C1,JTERITMJMGCQBO-UHFFFAOYSA-N
-rxn:2:77599:171582,CCCC(C(Nc1c(-c2ccc(OC)cc2)ncn1C(C)C)c1ccc2c(c1)CCCC2)N1CCCC1,MQKUCQCJGLBMQY-UHFFFAOYSA-N
-rxn:2:77649:152573,CCc1nc2cc(C(CN3CC(C)CC(C)C3)Nc3cccnc3OCC3CCN(C)C3)ccc2[nH]1,OJBRDRDCJYWNSU-UHFFFAOYSA-N
-rxn:2:80895:166545,CCC(C)N1C(CCNC(C)c2ccccc2-c2ccc3ccc(=O)[nH]c3c2)CN(C)CCC1(C)C,XQUBVSACAZPQGO-UHFFFAOYSA-N
-rxn:2:80895:170693,CCC(C)N1C(CCNC(c2ccccc2)c2ccc3cc(OC)ccc3c2)CN(C)CCC1(C)C,GNWNUYVYDHFGSU-UHFFFAOYSA-N
-rxn:2:81873:125092,CC(CC(c1ccccn1)N1CCN(C)CC1)NCC1(S(=O)(=O)C2CC2)CC1,GIUSUEYWCKQTBP-UHFFFAOYSA-N
-rxn:2:82346:144196,CC(C)C(NCC1CN(C)CC12CCS(=O)(=O)CC2)c1ccc(-c2cccc3nc[nH]c(=O)c23)cc1,LKTDMFFLLBTTTF-UHFFFAOYSA-N
-rxn:2:82346:147270,CC(NCC1CN(C)CC12CCS(=O)(=O)CC2)c1sccc1-c1ccc(S(C)(=O)=O)nc1,STLOKINLFDLABB-UHFFFAOYSA-N
-rxn:2:82524:135343,CCN1CCN(c2cc(CNC3CC4CCC3(CS(=O)(=O)OC)C4(C)C)ccn2)CC1,VRPSXFDJNYRNMM-UHFFFAOYSA-N
-rxn:2:83028:159074,CC(CN1CCC(N(C)C)CC1)NC(C)c1sccc1-c1csc(N2CCOCC2)n1,QTHHLYIFDTYYGI-UHFFFAOYSA-N
-rxn:2:83062:143973,CC(C)N1CCN(c2cnccc2NC2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)CC1,PUTTWRQUHWCWHO-UHFFFAOYSA-N
-rxn:2:83683:93442,CCCC(C(NCC1(S(=O)(=O)CC)CC1)c1cccs1)N1CCCC1,QUEPFNHSQDAUIH-UHFFFAOYSA-N
-rxn:2:84217:93207,CC(CCCC1SCCCS1)NCC(C)(C)CS(=O)(=O)F,WWWMDTMEHLWTIT-UHFFFAOYSA-N
-rxn:2:84594:118940,CN(C1CCC(NCC(CC2CC2)C2CCC2)CC1)C(C)(C)C,QXKIRIQRHGBUSP-UHFFFAOYSA-N
-rxn:2:86393:154391,Cc1ccc(N2CCC(N(C)C)CC2)cc1NC(C)CCCCn1c(=O)c2nc[nH]c2n(C)c1=O,ZQHPWXNCDZOAJO-UHFFFAOYSA-N
-rxn:2:86840:152258,CCCN1CCN(c2ccc(NC(CC)c3cccc(-c4cnc(N5CCOCC5)nc4)c3)cc2OC)CC1,GLFRHGKLPYBTST-UHFFFAOYSA-N
-rxn:2:86961:148738,CCOc1cc(C2CCN(C)CC2)ccc1NC(c1ccccc1)c1cnc(N2CCN(C)CC2)cc1C,PGQMUAPTKFGFDD-UHFFFAOYSA-N
-rxn:2:87437:172805,COc1ccc(-c2ccc3c(c2)C(Nc2ccc4c(c2)CCN(C2CCOCC2)CC4)CCC3(C)C)cn1,UUGHUMVTZYTMMW-UHFFFAOYSA-N
-rxn:2:88353:106196,CC(Nc1cnccc1N1CCC(N(C)C)C1)c1cnccc1OCCN1CCOCC1,OIBYAMHFVOFHMC-UHFFFAOYSA-N
-rxn:2:88556:147927,CC[C@]1(O[Si](C)(C)C(C)(C)C)C[C@H](NC(Cc2ncc[nH]2)c2ccc(OC)cc2OC)C1,FTHUPTJDJYUXMS-UUDTUAMJSA-N
-rxn:2:89481:142719,COC1CCN(c2ccc(NC(C)c3c(N4CCN(C)CC4)[nH]c4c(C)ccc(C)c34)cc2C)CC1,ADYIRHOECQZIIP-UHFFFAOYSA-N
-rxn:2:90187:111610,COc1ccc(C(NC2(COS(=O)(=O)[O-])CCCC2)C(C)N(C)C2CC2)cc1,JBSQWJNUCBPKJT-UHFFFAOYSA-M
-rxn:2:90980:126600,Cc1ccc(C(C)NCCN2CC[C@H](N(C)C3CC3)C2)c(OS(=O)(=O)F)c1,ZNRVLDLMERZCQP-LWKPJOBUSA-N
-rxn:2:91379:134221,CCC(Nc1ccccc1N1CCC(N(C)C)CC1)c1cnc(N2CCN(C)CC2)cc1C,DSTGYRVPCCZYEW-UHFFFAOYSA-N
-rxn:2:92408:136378,CS(=O)(=O)OCCN1CCC(NCc2ccc(S(=O)(=O)C3CC3)nc2)CC1,DPCDFLMZRAWEQB-UHFFFAOYSA-N
-rxn:2:93442:102560,CCS(=O)(=O)C1(CNC(c2cccc(CN3CCSCC3)c2)C2CC2)CC1,FSYGJIKUINIOFI-UHFFFAOYSA-N
-rxn:2:94188:134989,CC(NCCN1CCN(C2CCSCC2)CC1)c1cccc(S(=O)(=O)F)c1,IIKXGUXISDVPMK-UHFFFAOYSA-N
-rxn:2:94246:131340,Cc1cccc(C(NC2CCN(Cc3ccc(C(C)(C)C)cc3)C2)C2CCCCCC2)c1,FEWRIOPAWABPPT-UHFFFAOYSA-N
-rxn:2:95120:79439,CC(Oc1cccc(NC2CCC(CN(C)C(C)(C)C)CC2)c1)C1CC1,HXTBFTTYIXVEAH-UHFFFAOYSA-N
-rxn:2:95286:170234,CCCC(C(NCC1(c2ncccc2OC)CCOCC1)c1cccc2ccccc12)N1CCCC1,SYVLSLQYZVYTDZ-UHFFFAOYSA-N
-rxn:2:95328:101452,CC(NC1CCN(c2ccc(OC(C)(C)C)cc2)CC1)c1ccccc1C#CC(C)(C)C,AZUNXXZRLDGOTQ-UHFFFAOYSA-N
-rxn:2:96485:152761,CC(=O)c1cccc(C2C(CCSC(C)NC3(c4ncc[nH]4)CCCC(N(C)C)C3)C2(F)F)n1,OOALSONMWWCDJW-UHFFFAOYSA-N
-rxn:2:97113:123907,CC(NC1CCCCCCCC1)c1ccc(C(C)(C)C)cc1C(C)(C)C,SAAIRTYVGHWVOR-UHFFFAOYSA-N
-rxn:2:97227:72383,CCOCC1CCCN(c2ccc(NC(c3cnc(C4CC4)nc3OC)C(C)C)cn2)C1,GUXPNEIMLCDFEZ-UHFFFAOYSA-N
-rxn:2:97227:73038,CCOCC1CCCN(c2ccc(NC(CC)c3cnc(N4CCN(CC)CC4)cc3C)cn2)C1,IZMLKHIUKCGEPA-UHFFFAOYSA-N
-rxn:2:97754:125863,CCOCC1CCN(c2ccccc2NC(C)c2cnc(N3CCN(CC)CC3)nc2C)C1,XBCPOJWVPBYLCR-UHFFFAOYSA-N
-rxn:2:98044:146529,CCC(CNC(C)c1ccc2ccccc2c1OCC1CC1)N1CCC(C)(C)CC1,KCVSRDNKKZCPBU-UHFFFAOYSA-N
-rxn:2:98725:148738,CCCN1CCN(c2ccc(OC)cc2NC(c2ccccc2)c2cnc(N3CCN(C)CC3)cc2C)CC1,HFOAWSZZTRYNHD-UHFFFAOYSA-N
-rxn:2:98781:123308,C=C=Cc1ccc(C(NCC2(OC)CCCC(C)(C)C2)C(C)C2CC2)cc1,FGPLLIOWTSBBFV-UHFFFAOYSA-N
-rxn:2:99036:172340,CCC(CC)(NC(c1ccc(-c2ccc(OC(C)C)cn2)cc1)C(C)C)c1nc2c(c(=O)[nH]1)CCCCC2,IEKJTOJZIGKZBU-UHFFFAOYSA-N
-rxn:2:99205:154180,CN1CCC(n2nc(CNC3COc4cc(-c5cnn(S(C)(=O)=O)c5)ccc43)c3c2CC2CC32)CC1,HBSHTFUUCFOZAV-UHFFFAOYSA-N
-rxn:2:99205:165217,CN1CCC(n2nc(CNC3COc4cccc(-c5cnn(S(C)(=O)=O)c5)c43)c3c2CC2CC32)CC1,GRYQJMGHHIMBAW-UHFFFAOYSA-N
-rxn:2:100423:169191,CCC(NCC(C)(CC)N1CCC2(CCCCC2)CC1)c1ccc(-c2cnc3[nH]ccc3c2)cc1C,LFSKLZOJWOZHQX-UHFFFAOYSA-N
-rxn:2:100454:69607,CCCC1CCC(Cc2cnn(C)c2)(NC(c2ccc(OC)cc2)C2CC2(F)F)CC1,WBKYWMPEUONRCX-UHFFFAOYSA-N
-rxn:2:100605:159007,CCOCc1cccc(-c2ccc(C(C)NC3(c4ncc(C5CCN(C)CC5)[nH]4)CC3)c3c2OCO3)c1,SXNKBUGFOIHFSQ-UHFFFAOYSA-N
-rxn:2:100605:79960,CC(C)COCC(NC1(c2ncc(C3CCN(C)CC3)[nH]2)CC1)c1ccc2c(c1)CCC2,VWZBGGYRVLJKPS-UHFFFAOYSA-N
-rxn:2:100949:147524,CCc1nc2cc(C(CCN3CCCC3)NC3CN(c4cc(C)ccc4OC)CCC3(C)C)ccc2[nH]1,NOJWBSGPBIRPTH-UHFFFAOYSA-N
-rxn:2:100949:149130,CCc1nc2cc(C(CCN3CCCCC3)NC3CN(c4cc(C)ccc4OC)CCC3(C)C)ccc2[nH]1,HTNQEJXLEVQXPM-UHFFFAOYSA-N
-rxn:2:101165:139843,CCC[C@H]1CC[C@H](c2ccc(C(C)Nc3nccnc3OCCN3CCCCC3)cc2)CC1,FJWACLUMYSWNIY-JKBWNCLQSA-N
-rxn:2:101943:107617,CCCCCC(C#Cc1ccccc1)NC1(c2n[nH]c(C3CC3)n2)CCC(CC)CC1,IKQVEFOKUVWTMI-UHFFFAOYSA-N
-rxn:2:102841:126170,CCCC(C(Nc1ncccc1OCC1CC2(CCC2)C1)c1ccc2c(c1)CCC2)N1CCCC1,IXZQCVQNBZZPFY-UHFFFAOYSA-N
-rxn:2:103074:83900,CCCCC1CC(C(NC2CN(C)CC2c2ccc(C(C)C)cc2)c2ccnn2C)C1,WGIWNVKPCRVFPF-UHFFFAOYSA-N
-rxn:2:103441:131786,CCC1CCC(c2cc(NC(C)c3cccc(C(F)C4CCN(C)CC4)c3)[nH]n2)CC1,TZRMXZHGCZNEBO-UHFFFAOYSA-N
-rxn:2:104370:165502,CCOC1CCN(c2ccc(NC(C)c3ccc(-c4cnn(CC5CC5)c4)c4c3OCO4)c(C)c2)CC1,XENDJHUAUJAJTD-UHFFFAOYSA-N
-rxn:2:104799:113096,CCc1ccc2c(c1)C(NC1c3ccccc3CCC1N1CCCOCC1)C(OC)CO2,BIMKCZDEFNTIRK-UHFFFAOYSA-N
-rxn:2:104835:143505,CCOCC1(CNC2CCc3cc(-c4ccnn4C4CCCC4)ccc3C2)CC2(CC2)C1,BMESLXUECOKOOX-UHFFFAOYSA-N
-rxn:2:104835:153325,CCOCC1(CNC2CCC(n3cc(-c4ccc(C5CC5)nc4)cn3)CC2)CC2(CC2)C1,XTQQWUDEPMMESM-UHFFFAOYSA-N
-rxn:2:104835:157566,CCOCC1(CNC(c2ccc(-c3cnn(C4CCC4)c3)cc2)C2CC2)CC2(CC2)C1,GOKOKIYOJSMXFN-UHFFFAOYSA-N
-rxn:2:104835:157976,CCOCC1(CNC2CCC(c3ccc(-c4ccn(C5COC5)n4)cc3)CC2)CC2(CC2)C1,LJVRFNPQABOYPB-UHFFFAOYSA-N
-rxn:2:104835:160119,CCOCC1(CNC2CCCc3c(-c4ccn(C5COC5)n4)cccc32)CC2(CC2)C1,LPVGAJHJCWHUGU-UHFFFAOYSA-N
-rxn:2:104835:161851,CCOCC1(CNC2CCc3ccc(-c4ccnc(N5CCCC5)n4)cc32)CC2(CC2)C1,GEMFXHRLZHRGHX-UHFFFAOYSA-N
-rxn:2:105617:152258,CCC(NC1(c2ccc(OC)c(OC)c2)CCN(C)C1)c1cccc(-c2cnc(N3CCOCC3)nc2)c1,OUPVPXLCANVCCC-UHFFFAOYSA-N
-rxn:2:105921:137442,CCCN(C)C1(CNC2CCC(C)(F)CC2)CN2CCC1CC2,PLGJCGOFYGZWRR-UHFFFAOYSA-N
-rxn:2:106665:147466,CCC(Cc1cnc(N2CCN(C)CC2)nc1)NC(C)c1cccc(-c2ccn(C3COC3)n2)c1OC,GYIQSXHVRBPQQC-UHFFFAOYSA-N
-rxn:2:107078:147524,CCc1nc2cc(C(CCN3CCCC3)Nc3cc(CC)c(N4CCCCC4)cc3OC)ccc2[nH]1,YKYXOXYKBTWUKI-UHFFFAOYSA-N
-rxn:2:107078:149130,CCc1nc2cc(C(CCN3CCCCC3)Nc3cc(CC)c(N4CCCCC4)cc3OC)ccc2[nH]1,HHXDTOFSDNISAP-UHFFFAOYSA-N
-rxn:2:107594:119356,CCC(NC(C)c1cnccc1OCC1(C)CCC1)C(c1cccnc1)N1CCOCC1,DYICZAJWFXKDRY-UHFFFAOYSA-N
-rxn:2:107617:169327,CCOCc1cccc(-c2ccc3c(c2)C(NC2(c4n[nH]c(C5CC5)n4)CCC(CC)CC2)CCS3)c1,OIJINURDJLFFDV-UHFFFAOYSA-N
-rxn:2:107617:170914,CCOCc1cccc(-c2ccc3c(c2)C(NC2(c4n[nH]c(C5CC5)n4)CCC(CC)CC2)CCC3)c1,IMQAJIVNQKOIKO-UHFFFAOYSA-N
-rxn:2:107617:171317,CCOCc1cccc(-c2ccc3c(c2)CCCC3NC2(c3n[nH]c(C4CC4)n3)CCC(CC)CC2)c1,SNYJRYKAOYZTJK-UHFFFAOYSA-N
-rxn:2:108469:125863,CCN1CCN(c2ncc(C(C)Nc3cccnc3N3CCC(C)(COC)CC3)c(C)n2)CC1,CYXXGJPPCXIQCM-UHFFFAOYSA-N
-rxn:2:108469:147524,CCc1nc2cc(C(CCN3CCCC3)Nc3cccnc3N3CCC(C)(COC)CC3)ccc2[nH]1,MMSDAFAWNBJBAH-UHFFFAOYSA-N
-rxn:2:108912:169437,CC(C)CSC(=N)C(F)(F)c1ccc2c(c1)CCC2NCC(C)(C)N(C)c1n[nH]c(=O)[nH]c1=O,KXVUBRUSTULJQR-UHFFFAOYSA-N
-rxn:2:109579:113115,CCCCC1CCC(c2cc(NC(COC3CCCCC3)c3ccccc3)[nH]n2)CC1,RMINABLGKWHEJC-UHFFFAOYSA-N
-rxn:2:109579:131786,CCCCC1CCC(c2cc(NC(C)c3cccc(C(F)C4CCN(C)CC4)c3)[nH]n2)CC1,AIUZNNWWOMXNIH-UHFFFAOYSA-N
-rxn:2:109579:136559,CCCCC1CCC(c2cc(NC(CC)c3ccc(N4CCCC(F)C4)cc3)[nH]n2)CC1,YDEZEIPUYHKTHA-UHFFFAOYSA-N
-rxn:2:109579:136594,CCCCC1CCC(c2cc(NC(COC3CCCCC3C)c3ccccc3)[nH]n2)CC1,QHFGNXOORGJQJR-UHFFFAOYSA-N
-rxn:2:109579:137294,CCCCC1CCC(c2cc(NC(CC)c3ccc(N4CCC(F)CC4)cc3)[nH]n2)CC1,WVZFRPOSFLKYRP-UHFFFAOYSA-N
-rxn:2:110007:127968,CCC1(O[Si](C)(C)C(C)(C)C)CCC(NC(c2ccccn2)C2CC2)CC1,SUMDZSFHFIBMRT-UHFFFAOYSA-N
-rxn:2:111431:106991,CCS(=O)(=O)C1(CNC2CC3CCC(C2)N3Cc2ccc(OC)cc2)CCCC1,ARYIJBUCCPBAAE-UHFFFAOYSA-N
-rxn:2:112174:143784,CCC(Nc1ccc(N2CCC(C(C)(F)F)CC2)nc1)c1ccc2oc(=O)c(=O)n(OCC(C)C)c2c1,XTBNFVYNYOCQFG-UHFFFAOYSA-N
-rxn:2:112215:139843,CCC(C(Nc1nccnc1OCCN1CCCCC1)c1ccc2c(c1)CCC2)N1CCCC1,HMYFKMQHNXSPEC-UHFFFAOYSA-N
-rxn:2:112309:126170,CCCC(C(Nc1ccnc(OCC2CCCO2)c1)c1ccc2c(c1)CCC2)N1CCCC1,LVXMPVVXZDSSOZ-UHFFFAOYSA-N
-rxn:2:112309:171582,CCCC(C(Nc1ccnc(OCC2CCCO2)c1)c1ccc2c(c1)CCCC2)N1CCCC1,QMCWCKYTZLPGQT-UHFFFAOYSA-N
-rxn:2:112651:147466,CCCN1CCC(F)(CNC(C)c2cccc(-c3ccn(C4COC4)n3)c2OC)CC1,OLUXAWNINOUKAC-UHFFFAOYSA-N
-rxn:2:113073:131857,CCCC(NC1(CCc2cccnc2)CCN(C)CC1)c1ccc2c(c1)N(CCC)CCC2,LRAROWIAZDJHEA-UHFFFAOYSA-N
-rxn:2:113312:139138,CC1(C)C2CCC1(CS(=O)(=O)[O-])C(NCC(F)(F)CN1CCN3CCC1C3)C2,WPWOZLNVMRSBBP-UHFFFAOYSA-M
-rxn:2:113766:126170,CCCC(C(Nc1cc2c(cc1OCC)CCN(C)C2)c1ccc2c(c1)CCC2)N1CCCC1,QAYRBRRUCOVGBT-UHFFFAOYSA-N
-rxn:2:113796:144460,CCC(NC1CCN(c2nc(=O)n(C)c(=O)[nH]2)CC1)c1cccc(C2C(CSC(C)=O)C2(F)F)c1,MESSTKAQCPIPAU-UHFFFAOYSA-N
-rxn:2:113796:149822,CCC(NC1CCN(c2nc(=O)n(C)c(=O)[nH]2)CC1)c1ccc(C2C(CSC(C)=O)C2(F)F)cc1,IZWRNICGMDINAG-UHFFFAOYSA-N
-rxn:2:114076:126170,CCCC(C(Nc1cnccc1N1CCC(OCC)CC1)c1ccc2c(c1)CCC2)N1CCCC1,SSLVXJZOFTVKAB-UHFFFAOYSA-N
-rxn:2:114076:171582,CCCC(C(Nc1cnccc1N1CCC(OCC)CC1)c1ccc2c(c1)CCCC2)N1CCCC1,FHGDCZANKVZOCT-UHFFFAOYSA-N
-rxn:2:114231:73038,CCC(Nc1ccc(OC2CCCN(CC)C2)nn1)c1cnc(N2CCN(CC)CC2)cc1C,WQYGIHHUWCJCHY-UHFFFAOYSA-N
-rxn:2:115389:114156,CCC(C(Nc1cccnc1OCCC(C)C)c1ccc2c(c1)CCCC2)N1CCCC1,OUOAHMBGECAWHX-UHFFFAOYSA-N
-rxn:2:115446:122271,CCOC1CN(c2ccc(NC(CN3CCCC3)c3c(C)cc(C)cc3C)cn2)CC1OC,AYWSHQKSHMHTNH-UHFFFAOYSA-N
-rxn:2:115547:82872,CCC[C@H]1CC[C@H](c2ccc(NC3CCC(OCC4CC4)CC3)cc2)CC1,HQQWHPMOYFDPKX-PGUCQOLTSA-N
-rxn:2:115849:147508,CCOCC1CN(c2ncccc2NC(C)c2ccc(OC)c(-c3cnn(C4CCCC4)c3)c2)CC1C,PGFCVJGOCQUKKO-UHFFFAOYSA-N
-rxn:2:115849:164636,CCOCC1CN(c2ncccc2NC(CCN2CCCC(C)C2)c2ccc3[nH]c(C)nc3c2)CC1C,AUPQRONOPOMXRS-UHFFFAOYSA-N
-rxn:2:115952:110184,CCC(CC)c1cc(N2CCC(Nc3ccc(N4CCC(C)(COC)CC4)nc3)CC2)ncn1,XKYQGPXBNNLXLA-UHFFFAOYSA-N
-rxn:2:115952:125863,CCN1CCN(c2ncc(C(C)Nc3ccc(N4CCC(C)(COC)CC4)nc3)c(C)n2)CC1,JKUPHIXGIXEAND-UHFFFAOYSA-N
-rxn:2:115952:141711,CCC(Nc1ccc(N2CCC(C)(COC)CC2)nc1)c1cnc(N2CCN(CC)CC2)c(C)c1,ROWZHVLBZGPXPI-UHFFFAOYSA-N
-rxn:2:116852:125690,CCOCC(C)N1CCC(NC(c2cccc(C3CC3)c2)C2(C)CC2)CC1,GEIVESRDKFNRMS-UHFFFAOYSA-N
-rxn:2:117089:171582,CCCC(C(Nc1cccnc1OCC(C)C)c1ccc2c(c1)CCCC2)N1CCCC1,IUUHCTWKMCFCFC-UHFFFAOYSA-N
-rxn:2:117236:149130,CCc1nc2cc(C(CCN3CCCCC3)NCC3C(c4cccnc4OC)C3(F)F)ccc2[nH]1,AOVCQBFYBZZRMF-UHFFFAOYSA-N
-rxn:2:117273:128132,CC(Nc1cncc(OS(=O)(=O)F)c1)SCC12CC(=O)CC(CN(C)C1)C2(F)F,PQANJAWKSDULFR-UHFFFAOYSA-N
-rxn:2:118016:148025,CCN1CCC(CNC(C)c2c[nH]c3ncc(-c4cnccc4OC)cc23)(N2CCCC(C)C2)CC1,OSNHBSXCRIWXCN-UHFFFAOYSA-N
-rxn:2:118625:79723,CCOC1CCCN(c2ccc(NC(CC)c3ccc(N4CCN(CC)CC4)nc3C)nc2)C1,ASTAUPUBFFTSQA-UHFFFAOYSA-N
-rxn:2:118797:168772,CCC1CN(C(C)CNC(C)c2c[nH]c3ncc(-c4ccc(COC)cc4)cc23)CC(C)C12CCC2,SFCFTQVJWMASNA-UHFFFAOYSA-N
-rxn:2:118899:136378,Cc1ccc2c(c1)C(NC1CCN(CCOS(C)(=O)=O)CC1)C(F)CC2,WMZYZOZAASTNSZ-UHFFFAOYSA-N
-rxn:2:119151:147524,CCc1nc2cc(C(CCN3CCCC3)Nc3ccc(N4CCN(C(C)C)CC4)cc3OC)ccc2[nH]1,BOKYLCLWMIIFTG-UHFFFAOYSA-N
-rxn:2:119299:123810,CCC(Nc1cc(C)ccc1OCCN1CCC(C)CC1)c1cnc(N2CCOCC2)c(C)c1,HEWSSKXNHLMPFB-UHFFFAOYSA-N
-rxn:2:119865:73038,CCC(Nc1ccc(N2CCN(C)CC2)nc1OC)c1cnc(N2CCN(CC)CC2)cc1C,NKOXURDIZWGDFG-UHFFFAOYSA-N
-rxn:2:121039:169419,CCC(C)c1ccccc1-c1cc2c(cc1C)CCC2N[C@H]1CC[C@H](C(C)(C)OC)CC1,NXIFFMKTCBCNIT-IOUBDGMCSA-N
-rxn:2:121338:73038,CCC(NCCN1CCC(c2nc3ncccc3o2)CC1)c1cnc(N2CCN(CC)CC2)cc1C,XUNBCQBKQOWBCZ-UHFFFAOYSA-N
-rxn:2:122562:69720,CCN1CCN(c2cc(NC(C)c3ccc(CN4CCOCC4)c(OC)c3)ncn2)CC1,YTNHDNLOEIBWIP-UHFFFAOYSA-N
-rxn:2:122755:144092,CCC(CC)CN1CCCC(NC2CCc3cc(-c4cccc5c4CCC5)ccc3C2)C1,CWCKHZFVAXEALL-UHFFFAOYSA-N
-rxn:2:122755:169401,CCC(CC)CN1CCCC(NC2CCc3c(-c4cccc5c4CCCC5)cccc32)C1,HSVPHINMKNVDGS-UHFFFAOYSA-N
-rxn:2:122755:169732,CCC(CC)CN1CCCC(NC2CCCc3ccc(-c4ccc5c(c4)CCCC5)cc32)C1,PTARHGWKWGZPKC-UHFFFAOYSA-N
-rxn:2:122755:170504,CCC(CC)CN1CCCC(NC2CCc3ccc(-c4ccc(C5CCC5)cc4)cc32)C1,DENKWPSZBWOOHR-UHFFFAOYSA-N
-rxn:2:122755:171123,CCC(CC)CN1CCCC(NC2CCCc3ccc(-c4cccc5c4CCCC5)cc32)C1,ZULWTQSKEFXUBL-UHFFFAOYSA-N
-rxn:2:122755:171447,CCC(CC)CN1CCCC(NC2CCCc3ccc(-c4cccc(C5CC5)c4)cc32)C1,MQQRIPQCXZMVGZ-UHFFFAOYSA-N
-rxn:2:124436:69720,CCN1CCN(c2ncncc2NC(C)c2ccc(CN3CCOCC3)c(OC)c2)CC1,QGXYOCUVCZJVGM-UHFFFAOYSA-N
-rxn:2:124533:158445,COCC1C(F)(F)C12CCC(Nc1c(CN(C)Cc3ccncc3)c(C)nn1C)CC2,LMYDJYZQIZFPCE-UHFFFAOYSA-N
-rxn:2:124666:69720,CCN1CCN(c2ncc(NC(C)c3ccc(CN4CCOCC4)c(OC)c3)cn2)CC1,NASIFALFFUPOMZ-UHFFFAOYSA-N
-rxn:2:126170:128869,CCCC(C(Nc1cccnc1OCC1CCCC1)c1ccc2c(c1)CCC2)N1CCCC1,FUYRYKMFJOBNEJ-UHFFFAOYSA-N
-rxn:2:126170:168466,CCCC(C(Nc1noc2cccc(OCC3CCCC3)c12)c1ccc2c(c1)CCC2)N1CCCC1,OQMQNNNKGBFQGA-UHFFFAOYSA-N
-rxn:2:126586:119356,CCCCN1CCN(c2ncccc2NC(C)c2cnccc2OCC2(C)CCC2)CC1,IUBSZOUGZDOAIX-UHFFFAOYSA-N
-rxn:2:126586:147225,CCCCN1CCN(c2ncccc2NC(C)c2cc(-c3ccnn3C3CCCC3)ccc2OC)CC1,MYGDHIOLEOKSTJ-UHFFFAOYSA-N
-rxn:2:127012:131786,CCCCC1CCC(c2cc(NC(C)c3cccc(C(F)C4CCN(C)CC4)c3)ncn2)CC1,QAEIPZSGWOCZBV-UHFFFAOYSA-N
-rxn:2:127012:136559,CCCCC1CCC(c2cc(NC(CC)c3ccc(N4CCCC(F)C4)cc3)ncn2)CC1,JAMCMLTVEZRKFR-UHFFFAOYSA-N
-rxn:2:127151:126170,CCCC(C(NC1CCCc2cc(OC(C)C)ccc21)c1ccc2c(c1)CCC2)N1CCCC1,UTXQHIOQWTZETL-UHFFFAOYSA-N
-rxn:2:127654:132367,CON1CCC(NC(c2ccc(C(C)(C)C)cc2C)C2CCCC2)CC1,BPYVOKGDVBRGHY-UHFFFAOYSA-N
-rxn:2:127968:160716,CCC1(O[Si](C)(C)C(C)(C)C)CCC(NC(C)c2cc(-c3ccncc3)n[nH]c2=O)CC1,QOWFZNRQGRNJFW-UHFFFAOYSA-N
-rxn:2:128257:149840,CCCC(Nc1cccc(-c2cn(CC3(F)CCC3)nn2)c1)C1CCN(CCC)CC1,UAPZHVCXOZLXCC-UHFFFAOYSA-N
-rxn:2:128869:171582,CCCC(C(Nc1cccnc1OCC1CCCC1)c1ccc2c(c1)CCCC2)N1CCCC1,HXMYYJWOZWVMDG-UHFFFAOYSA-N
-rxn:2:129091:171582,CCCC(C(Nc1cccc2c(OCC(C)C)n[nH]c12)c1ccc2c(c1)CCCC2)N1CCCC1,HPNQPILMTXFJGC-UHFFFAOYSA-N
-rxn:2:129233:169371,CCCC(NC1(COC)CC2(CCC(F)(F)CC2)C1)c1ccc(-c2cn[nH]c2C(C)C)cc1,OMTOYMUEEJRUKA-UHFFFAOYSA-N
-rxn:2:129233:173073,CCCC(NC1(COC)CC2(CCC(F)(F)CC2)C1)c1ccc(-c2cc(C)c3nc[nH]c3c2)cc1,UQSNXFFOJFBIEJ-UHFFFAOYSA-N
-rxn:2:129454:155396,CC(=O)c1ccc(C2C(CSC(C)NCc3cnn(CC4CC(C)(C)C4)c3)C2(F)F)nc1,IKGNNMDKWIIVRV-UHFFFAOYSA-N
-rxn:2:132288:157566,CCCOC1CCCN(C2CCCCC2NC(c2ccc(-c3cnn(C4CCC4)c3)cc2)C2CC2)C1,ATYNDRBMWOJYIP-UHFFFAOYSA-N
-rxn:2:132456:108398,Cc1ccc2c(c1)C(NC(COCC1CCOCC1)c1ccn(C)c1)CC(C)(C)CC2,PBIPDGLLCYKWKR-UHFFFAOYSA-N
-rxn:2:132803:148025,CCN1CCC(CNC(C)c2c[nH]c3ncc(-c4cnccc4OC)cc23)(N2CCOCC2C)CC1,OEXMQARNQQSKOG-UHFFFAOYSA-N
-rxn:2:133629:172078,CCOC1CCC(N2CCC(NC(c3ccc4c(c3)CCCC4)c3ccccc3C)CC2)CC1,NJWPHPCQCRJUGX-UHFFFAOYSA-N
-rxn:2:133922:114061,O=S(=O)(F)c1ccccc1CCCNC(CN1CCCC2CCCCC21)c1ccc[nH]1,PUBZIRRVMHMEGV-UHFFFAOYSA-N
-rxn:2:134212:125863,CCOCC1CCN(c2ccc(NC(C)c3cnc(N4CCN(CC)CC4)nc3C)cn2)C1,YJFBEYWLBXFZER-UHFFFAOYSA-N
-rxn:2:134212:160487,CCOCC1CCN(c2ccc(NC(C)c3cc4c(cc3-c3cnn(CC5CC5)c3)OCCO4)cn2)C1,FHFXSYXHFYIMPV-UHFFFAOYSA-N
-rxn:2:134212:164636,CCOCC1CCN(c2ccc(NC(CCN3CCCC(C)C3)c3ccc4[nH]c(C)nc4c3)cn2)C1,CLUGHPAOGPJPGU-UHFFFAOYSA-N
-rxn:2:134212:84001,CCOCC1CCN(c2ccc(NC(CN3CC(C)CC(C)C3)c3cc(C)[nH]c3C)cn2)C1,DSNHUGINCGXMBO-UHFFFAOYSA-N
-rxn:2:134366:164911,CCCC(CSc1nc2cc(C)ccc2[nH]1)NCC1(N2CCC(C)C2)CCN(CC)CC1,KXMVUOBFDLECED-UHFFFAOYSA-N
-rxn:2:135646:84594,CN(C1CCC(NC2C3CC4CC2CN(C4)C3)CC1)C(C)(C)C,GXIRAACWFQVNIX-UHFFFAOYSA-N
-rxn:2:135789:125295,CCC(C)(CC1C2CC3CC(C2)CC1C3)NC1CC(CS(=O)(=O)F)C1,CVXWYLNISPKKNF-UHFFFAOYSA-N
-rxn:2:136210:134417,CCC(Nc1c2c(nn1C)CCN(CCCOC)C2)c1ccc(N2CCOCC2)nc1C,TVHUQABXHRTEIW-UHFFFAOYSA-N
-rxn:2:136210:87946,CCC(Nc1c2c(nn1C)CCN(CCCOC)C2)c1cnc(N2CCCCC2)cc1C,KXMWYOMTKCYBQE-UHFFFAOYSA-N
-rxn:2:136268:170234,CCCC(C(NC1(c2ncon2)CCN(CCC)CC1)c1cccc2ccccc12)N1CCCC1,BDVUXBBJDSFZBE-UHFFFAOYSA-N
-rxn:2:136656:144237,CC(=O)c1cncc(C2C(CSC(C)NC3(CCc4ccccn4)CCN(C)CC3)C2(F)F)c1,LFUUMPMXNJMBIB-UHFFFAOYSA-N
-rxn:2:137358:99738,CCN1CCN(c2c(C)cc(NC(C)c3ccccc3N3CCC(OC)CC3)cc2C)CC1,CBLNOIILZBLJRT-UHFFFAOYSA-N
-rxn:2:138575:73038,CCC(Nc1cncnc1OC1CCCN(CC)C1)c1cnc(N2CCN(CC)CC2)cc1C,AFPHMSDDLGWDQB-UHFFFAOYSA-N
-rxn:2:138759:69720,CCN1CCC(COc2ncc(NC(C)c3ccc(CN4CCOCC4)c(OC)c3)cn2)CC1,GNWKFYLWQYPRMJ-UHFFFAOYSA-N
-rxn:2:138759:73038,CCC(Nc1cnc(OCC2CCN(CC)CC2)nc1)c1cnc(N2CCN(CC)CC2)cc1C,ATBXZINYPLHNND-UHFFFAOYSA-N
-rxn:2:138988:152258,CCC(Nc1ccc(CN2CCC(F)(F)C2)cc1OC)c1cccc(-c2cnc(N3CCOCC3)nc2)c1,JIICLMMHVKJSPJ-UHFFFAOYSA-N
-rxn:2:139951:171582,CCCC(C(Nc1ccnnc1OCC(C)C)c1ccc2c(c1)CCCC2)N1CCCC1,RLDOQHNFQJHEKS-UHFFFAOYSA-N
-rxn:2:140012:156686,CCC(NCCCN1CCC2(CC(OC)CCO2)C1)c1ccc(-c2ccc3ncnn3c2)cc1C,OWJAPVWAOJZTEZ-UHFFFAOYSA-N
-rxn:2:140012:168937,CCC(NCCCN1CCC2(CC(OC)CCO2)C1)c1ccc(-c2cc(C)c3ncccc3c2)cc1,TVJGGPDTFCXEQL-UHFFFAOYSA-N
-rxn:2:140012:169186,CCC(NCCCN1CCC2(CC(OC)CCO2)C1)c1ccc(-c2ccc3c(cnn3C)c2)cc1C,YTFOUNFONIZJSJ-UHFFFAOYSA-N
-rxn:2:141302:125863,CCN1CCN(c2ncc(C(C)Nc3ccc(N4CCC(F)(F)CC4)cc3OC)c(C)n2)CC1,KLIXZFNHPKRDKE-UHFFFAOYSA-N
-rxn:2:141302:73038,CCC(Nc1ccc(N2CCC(F)(F)CC2)cc1OC)c1cnc(N2CCN(CC)CC2)cc1C,SIMJGJNWYILJBP-UHFFFAOYSA-N
-rxn:2:141641:170697,COCCC[C@H]1CC[C@H](NC(c2ccccc2)c2cnc(N3CCCCCC3)cc2C)CC1,ZUTLQJZVIBUQDD-FCTUQMFHSA-N
-rxn:2:141641:172083,COCCC[C@H]1CC[C@H](NC(c2ccccc2)c2ccc(N3CCCCCC3)nc2C)CC1,NFDKWPOXDPMRAY-FCTUQMFHSA-N
-rxn:2:142062:171582,CCCC(C(Nc1cccnc1OCC1CC(C)C1)c1ccc2c(c1)CCCC2)N1CCCC1,KLLMRGXALSHHOF-UHFFFAOYSA-N
-rxn:2:142169:149807,CC(C)C(CCN1CCCN(C)CC1)NC(c1ccc(-c2nc3nc[nH]c3c(=O)[nH]2)cc1)C(C)C,NTAMIQDRIMHEPN-UHFFFAOYSA-N
-rxn:2:144011:131857,CCCC(NC1(c2nc3ccccc3[nH]2)CCC(CC)CC1)c1ccc2c(c1)N(CCC)CCC2,UNSAGWRIDYXPTN-UHFFFAOYSA-N
-rxn:2:146550:99191,CCC(Nc1cc(C2CC2)n(-c2ccc(OC)cc2)n1)C1CCN(C2CCCCC2)C1,PZXJYSWCNNLQNU-UHFFFAOYSA-N
-rxn:2:157731:129655,CCCC(NC1(c2c[nH]c3ncc(OC)nc23)CCCCC1)C1CCCN(Cc2ccccc2)C1,UUFZMQNUFYUWBA-UHFFFAOYSA-N
-rxn:2:159324:162925,CCc1c(C2CC2)nn(-c2ccccn2)c1NC(CCN1CCC(C)CC1)c1cc(C)c(C)cc1OC,VRQURUHDWFTNQU-UHFFFAOYSA-N
-rxn:2:168382:150130,COc1ccc(C(F)(F)c2nnn[nH]2)cc1NC(C)c1ccc(OC(C)C2CCCN(C)C2)c(OC)c1,QTPKPDHAODGAMM-UHFFFAOYSA-N
-rxn:2:168382:94800,COc1ccc(C(F)(F)c2nnn[nH]2)cc1NC(C)c1ccc(OC)c(OC(C)C2CCN(C)CC2)c1,CFELDKXMMQPZGR-UHFFFAOYSA-N
-rxn:2:66620:122080,CC(CCS(=O)(=O)F)NCC(C)(C)SC1C2CC3CC(C2)CC1C3,XUBLMZIOSBVHIC-UHFFFAOYSA-N
-rxn:2:66635:84015,CC1(C)C2CC[C@]1(CS(=O)(=O)[O-])C(NCC1(F)CCSC1)C2,LJLJQACYGLFULF-QEOVQVNQSA-M
-rxn:2:66994:164636,CCOCC1CCCCN1c1ncccc1NC(CCN1CCCC(C)C1)c1ccc2[nH]c(C)nc2c1,MECSWKVOXXIZHS-UHFFFAOYSA-N
-rxn:2:67048:169191,CCC(NCCCC1CCCCN(C2CCCC2)C1)c1ccc(-c2cnc3[nH]ccc3c2)cc1C,RPSXBQGLHAUPGC-UHFFFAOYSA-N
-rxn:2:67489:71954,CCCCC(NC(c1cccc(CN2CCN(C)CC2)c1)C1CCC1)c1nc2cc(C)ccc2[nH]1,YIWGSFFXKNNNLV-UHFFFAOYSA-N
-rxn:2:67489:85874,CCCCC(NC(c1ccc(CN2CCN(C)CC2)cc1)C1CCCC1)c1nc2cc(C)ccc2[nH]1,SGPXYSHODMNHGC-UHFFFAOYSA-N
-rxn:2:67700:99148,CCOCCCn1ccc2c1CCCC2NC(C)C(c1ccccn1)N1CCCCCC1,LLWWUVRRBJAVSU-UHFFFAOYSA-N
-rxn:2:68863:142451,CC(=O)c1cncc(C2C(CCSC(C)NC3(c4ncnn4C)CCN(C)CC3)C2(F)F)c1,WDLLRUWYPMWKHE-UHFFFAOYSA-N
-rxn:2:68863:142505,CC(=O)c1ccc(C2C(CCSC(C)NC3(c4ncnn4C)CCN(C)CC3)C2(F)F)nc1,ADMAOBBKYNIKOW-UHFFFAOYSA-N
-rxn:2:68863:152761,CC(=O)c1cccc(C2C(CCSC(C)NC3(c4ncnn4C)CCN(C)CC3)C2(F)F)n1,DJIYJNUPBDRZBH-UHFFFAOYSA-N
-rxn:2:68863:155396,CC(=O)c1ccc(C2C(CSC(C)NC3(c4ncnn4C)CCN(C)CC3)C2(F)F)nc1,SVORWWFMGYIVAV-UHFFFAOYSA-N
-rxn:2:69033:115972,CC1(C)[C@@H]2CC[C@]1(CS(=O)(=O)F)C(NS(=N)(=O)C1CC1)C2,MHGDQCHXYCFBLS-HOHDUIKVSA-N
-rxn:2:69033:82250,CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)F)C(NS(=N)(=O)C1CC1)C2,MHGDQCHXYCFBLS-GYMAQICKSA-N
-rxn:2:69033:91416,CC1(C)C2CCC1(CS(=O)(=O)F)C(NS(=N)(=O)C1CC1)C2,MHGDQCHXYCFBLS-UHFFFAOYSA-N
-rxn:2:69175:126600,Cc1ccc(C(C)NCC2C3CC(C3)N2C2CCC2)c(OS(=O)(=O)F)c1,GOMGJIZWQSYJRR-UHFFFAOYSA-N
-rxn:2:69356:134417,CCC(Nc1cccc2c1CCN(C(C)CCOC)C2)c1ccc(N2CCOCC2)nc1C,MSJLMXMYOYCLIU-UHFFFAOYSA-N
-rxn:2:69429:149130,CCc1nc2cc(C(CCN3CCCCC3)Nc3ccnn3C3CCN(CC)CC3)ccc2[nH]1,PNHBMPZQZSDTAN-UHFFFAOYSA-N
-rxn:2:69429:92693,CCC(Nc1ccnn1C1CCN(CC)CC1)C(c1ccc(OC)c(C)c1C)C(C)C,ALFRHGLVHRWNGR-UHFFFAOYSA-N
-rxn:2:69720:109579,CCCCC1CCC(c2cc(NC(C)c3ccc(CN4CCOCC4)c(OC)c3)[nH]n2)CC1,VLJIRVXCNQBHDW-UHFFFAOYSA-N
-rxn:2:69924:150606,CCOC1CN(c2ncccc2NC(CCN2CCCCC2)c2ccc3[nH]c(C)nc3c2)CC1OC,ZUIAJNUKIHZKTA-UHFFFAOYSA-N
-rxn:2:70008:109961,CCCC(Nc1ccccc1COC(C)C)C1CCCN(C2CCCC2)C1,PYHKVCJLCWIGDW-UHFFFAOYSA-N
-rxn:2:70274:136378,CN1CC(F)CC1c1ccccc1NC1CCN(CCOS(C)(=O)=O)CC1,REULWLFRSBMUOE-UHFFFAOYSA-N
-rxn:2:71394:115615,CC(=O)Oc1cc(OC(C)NCC(F)(F)c2cnc(N3CCCC3)nc2)cc(C(C)=O)c1,WNDOQOISBLYVQN-UHFFFAOYSA-N
-rxn:2:71455:144270,CC(=O)c1cccc(C2C(CSC(C)Nc3snnc3CN(C)C3CCCN(C)C3)C2(F)F)n1,RGCHIMOOXKNUJQ-UHFFFAOYSA-N
-rxn:2:71901:164636,CCOCC1CCCN1c1ncccc1NC(CCN1CCCC(C)C1)c1ccc2[nH]c(C)nc2c1,MTXCEXUGUSOAAP-UHFFFAOYSA-N
-rxn:2:72383:126586,CCCCN1CCN(c2ncccc2NC(c2cnc(C3CC3)nc2OC)C(C)C)CC1,OGVZWTMAPHJFGR-UHFFFAOYSA-N
-rxn:2:72495:171582,CCCC(C(Nc1ccc2c(c1)CN(CC1CCN(CC)C1)C2)c1ccc2c(c1)CCCC2)N1CCCC1,XALMDFKLSRHIFM-UHFFFAOYSA-N
-rxn:2:72687:141711,CCC(Nc1ccc(N2CCC(COC)CC2)nc1)c1cnc(N2CCN(CC)CC2)c(C)c1,FCSGYJOWBUUOMG-UHFFFAOYSA-N
-rxn:2:72687:87389,CCCCCC(Nc1ccc(N2CCC(COC)CC2)nc1)C1CCOC(C)(C)C1,WIBLOSJVTAFCLC-UHFFFAOYSA-N
-rxn:2:73013:142888,CCC(CC)Cc1cc(NC2CC3(CCC(F)(F)CC3)Oc3cc(OC)ccc32)n2cncc2n1,OZXKPGSRNFMGAH-UHFFFAOYSA-N
-rxn:2:73038:75130,CCOCC1CCN(c2ncccc2NC(CC)c2cnc(N3CCN(CC)CC3)cc2C)CC1,PNFFHXZLWBHFDX-UHFFFAOYSA-N
-rxn:2:73038:78219,CCC(Nc1cccnc1OCCN1CCOCC1)c1cnc(N2CCN(CC)CC2)cc1C,DDJSKPPKOBEIAW-UHFFFAOYSA-N
-rxn:2:73519:115596,CC(Cc1nc(C2CCN(C)CC2)c[nH]1)NC(COCC1CCOC1)c1cccn1C,OGDAJHRFEUMWQC-UHFFFAOYSA-N
-rxn:2:73766:142888,CCC(CC)Cc1cnn2c(NC3CC4(CCC(F)(F)CC4)Oc4cc(OC)ccc43)ncnc12,WDYQWYDPCWOVTJ-UHFFFAOYSA-N
-rxn:2:73980:150146,COCCCN1CCC(C)(C)C(NC(c2ccc(-c3cccnc3OC)cc2)C2CC2)C1,JWLVKNYKKJEBEW-UHFFFAOYSA-N
-rxn:2:73980:168730,CCOc1ncc(-c2cccnc2C(C)NC2CN(CCCOC)CCC2(C)C)cc1C,ITFULPPEWYFAPZ-UHFFFAOYSA-N
-rxn:2:74307:160354,CCCO[C@H]1CC[C@](C)(NC(c2ccccc2)c2ccc(N3CCN(CC)CC3)nc2)CC1,OKVBYXHHPWHQCT-XWCYHFTISA-N
-rxn:2:74666:165386,CCc1cc(C2(C(C)NC3CCN(c4nc(-c5cnccn5)nc(C)c4CC)CC3)COC2)ccc1OC,BGQFCSXDHLVAMY-UHFFFAOYSA-N
-rxn:2:74747:113312,CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)[O-])C(NCC(F)(F)CN1CCN3CCC1C3)C2,WPWOZLNVMRSBBP-YHOLWWCESA-M
-rxn:2:74945:170756,CCC(NOCCC1CCCCN1C1CCCCC1)c1ccc(-c2ccc3cn[nH]c3c2)cc1C,QAXLDVRNIRKRIM-UHFFFAOYSA-N
-rxn:2:74945:172816,CCC(NOCCC1CCCCN1C1CCCCC1)c1ccc(-c2ccc3[nH]ncc3c2C)cc1C,WLNWTHWLGKMWMW-UHFFFAOYSA-N
-rxn:2:74967:148378,CCCC(NC1(c2ccc(OC)cn2)CCC(F)(F)CC1)c1ccc(-c2cnn(C3CCOCC3)c2)cc1,AHWKLYIEBPQZIJ-UHFFFAOYSA-N
-rxn:2:74967:171112,CCCC(NC1(c2ccc(OC)cn2)CCC(F)(F)CC1)c1ccc(-c2cnn(C3CCCC3)c2)cc1,LVDCZCXKIWUFQI-UHFFFAOYSA-N
-rxn:2:74967:83900,CCCCC1CC(C(NC2(c3ccc(OC)cn3)CCC(F)(F)CC2)c2ccnn2C)C1,JJQSPGPFUMIVKY-UHFFFAOYSA-N
-rxn:2:75130:122030,CCOCC1CCN(c2ncccc2NC(c2ccn(CC3CCC3)n2)C(C)C)CC1,KKPZXUBQAHNEQN-UHFFFAOYSA-N
-rxn:2:75130:125863,CCOCC1CCN(c2ncccc2NC(C)c2cnc(N3CCN(CC)CC3)nc2C)CC1,JVOMSGODQKJQHB-UHFFFAOYSA-N
-rxn:2:76179:155246,CO[C@H]1CC[C@@H](CCCNC(c2ccccc2)c2cnc(N3CCCCC3)cc2C)CC1,WDWQJHGWIQVCDU-BBBPCOCTSA-N
-rxn:2:76179:170697,CO[C@H]1CC[C@@H](CCCNC(c2ccccc2)c2cnc(N3CCCCCC3)cc2C)CC1,DYPYEVKCSSMQFB-BHEHOSCNSA-N
-rxn:2:76744:150606,CCCC1CCN(c2cccc(NC(CCN3CCCCC3)c3ccc4[nH]c(C)nc4c3)c2C)CC1,NWAWQRGHSIVEQW-UHFFFAOYSA-N
-rxn:2:76744:152573,CCCC1CCN(c2cccc(NC(CN3CC(C)CC(C)C3)c3ccc4[nH]c(CC)nc4c3)c2C)CC1,QLSVGVRKDYWLME-UHFFFAOYSA-N
-rxn:2:77052:73038,CCC(Nc1cnccc1OC1CCN(CC)CC1)c1cnc(N2CCN(CC)CC2)cc1C,DJIPXRAEJVMSPL-UHFFFAOYSA-N
-rxn:2:77183:118088,CCC1(Oc2nccnc2NC(C)SCC2C(c3ccsc3C(C)=O)C2(F)F)COC1,MDSDYDCOQZJPIB-UHFFFAOYSA-N
-rxn:2:77362:109579,CCCCC1CCC(c2cc(NC(COC3CCCCC3C)c3ccc(C)cc3)[nH]n2)CC1,FIRPZZYOMVLWRX-UHFFFAOYSA-N
-rxn:2:77510:109579,CCCCC1CCC(c2cc(NC(CC)c3ccc(N4CC[C@@H](F)C4)cc3)[nH]n2)CC1,QAJCKGKOOGTNOR-CSURTSPHSA-N
-rxn:2:77510:127012,CCCCC1CCC(c2cc(NC(CC)c3ccc(N4CC[C@@H](F)C4)cc3)ncn2)CC1,RQPRPSJHUZDZNT-QLKDNEJASA-N
-rxn:2:78859:149807,CC(C)CN1C(C)CN(C)CC1CCNC(c1ccc(-c2nc3nc[nH]c3c(=O)[nH]2)cc1)C(C)C,DSZXMVRRPUTGKM-UHFFFAOYSA-N
-rxn:2:78888:149807,CCCN1CCC(C)N(C)C(CCNC(c2ccc(-c3nc4nc[nH]c4c(=O)[nH]3)cc2)C(C)C)C1,WVFPJLJRBMYHLK-UHFFFAOYSA-N
-rxn:2:78958:69720,CCN1CCN(c2ccc(NC(C)c3ccc(CN4CCOCC4)c(OC)c3)nn2)CC1,UIVINNNASFNTIQ-UHFFFAOYSA-N
-rxn:2:79124:134989,CC(NCC1(S(=O)(=O)C2CCCC2)COC1)c1cccc(S(=O)(=O)F)c1,YYSCSTNBDADXIC-UHFFFAOYSA-N
-rxn:2:79484:161479,CC(CCC1(c2ccc3[nH]c(=O)[nH]c3c2)COC1)NCCCn1cnnc1C1CCC(F)(F)CC1,PTFJPKMRSMBBCQ-UHFFFAOYSA-N
-rxn:2:79723:130033,CCC(Nc1ccc(OCCN2CCOCC2)cn1)c1ccc(N2CCN(CC)CC2)nc1C,XVGKDHWKTNUKQD-UHFFFAOYSA-N
-rxn:2:79865:169732,CCC(CC)CN1CCC(NC2CCCc3ccc(-c4ccc5c(c4)CCCC5)cc32)C1,XXFNRYUUALVUBC-UHFFFAOYSA-N
-rxn:2:79865:171123,CCC(CC)CN1CCC(NC2CCCc3ccc(-c4cccc5c4CCCC5)cc32)C1,RRBHZVQRZOLWQC-UHFFFAOYSA-N
-rxn:2:79867:100874,COC1(CNC2CC3CCCC(C2)N3Cc2cccs2)CS(=O)(=O)C1,QIPSQSBJEHXOGZ-UHFFFAOYSA-N
-rxn:2:79907:149130,CCc1nc2cc(C(CCN3CCCCC3)Nc3ccc(CN4CCCC4)cc3OC)ccc2[nH]1,SFMMVEJMCVDDFX-UHFFFAOYSA-N
-rxn:2:79960:100605,CC(C)COCC(NC1(c2ncc(C3CCN(C)CC3)[nH]2)CC1)c1ccc2c(c1)CCC2,VWZBGGYRVLJKPS-UHFFFAOYSA-N
-rxn:2:79960:83358,CC(C)COCC(NC1CCCN(c2cc(C3CC3)n[nH]2)C1)c1ccc2c(c1)CCC2,ILUZYQOJJRSTJF-UHFFFAOYSA-N
-rxn:2:79960:97909,CCN1CCCC1c1n[nH]c2c1C(NC(COCC(C)C)c1ccc3c(c1)CCC3)CCC2,QQRCDPMKKGIMAI-UHFFFAOYSA-N
-rxn:2:80074:126170,CCCC(C(NC1CCN(c2ccc(OC)cc2)CC1)c1ccc2c(c1)CCC2)N1CCCC1,IHZQUKZTAPHCDR-UHFFFAOYSA-N
-rxn:2:80074:171582,CCCC(C(NC1CCN(c2ccc(OC)cc2)CC1)c1ccc2c(c1)CCCC2)N1CCCC1,GIBQMPHCQYODSL-UHFFFAOYSA-N
-rxn:2:80585:84594,CN(C1CCC(NC2C3CC2CN(C2CC2)C3)CC1)C(C)(C)C,LYKRFTIPPGWTTF-UHFFFAOYSA-N
-rxn:2:81015:109579,CCCCC1CCC(c2cc(NC(CC)c3ccc(N4CC[C@H](F)C4)cc3)[nH]n2)CC1,QAJCKGKOOGTNOR-WVMIVKQHSA-N
-rxn:2:81015:127012,CCCCC1CCC(c2cc(NC(CC)c3ccc(N4CC[C@H](F)C4)cc3)ncn2)CC1,RQPRPSJHUZDZNT-XIJWCTFFSA-N
-rxn:2:81051:147524,CCc1nc2cc(C(CCN3CCCC3)Nc3ccc(N4CCC(C)CC4)nc3OC)ccc2[nH]1,BPMMLMYCCHLRNA-UHFFFAOYSA-N
-rxn:2:81434:126170,CCCC(C(Nc1cnc(OCC2CCCO2)s1)c1ccc2c(c1)CCC2)N1CCCC1,WBKDERHOGVYHHM-UHFFFAOYSA-N
-rxn:2:82872:115547,CCC[C@H]1CC[C@H](c2ccc(NC3CCC(OCC4CC4)CC3)cc2)CC1,HQQWHPMOYFDPKX-PGUCQOLTSA-N
-rxn:2:84594:135646,CN(C1CCC(NC2C3CC4CC2CN(C4)C3)CC1)C(C)(C)C,GXIRAACWFQVNIX-UHFFFAOYSA-N
-rxn:2:85079:168772,CCC1CN(C(C)CNC(C)c2c[nH]c3ncc(-c4ccc(COC)cc4)cc23)CC(C)C12COC2,RTLJHXGHJSCQLX-UHFFFAOYSA-N
-rxn:2:85965:110184,CCC(CC)c1cc(N2CCC(Nc3ccc(N4CCC(F)(F)C4)c(OC)c3)CC2)ncn1,CZHBSZFHADAFJS-UHFFFAOYSA-N
-rxn:2:86319:127327,CCC(NCCCC1CCC(c2ccccn2)CC1)c1ccc(SC2CCCCC2)nc1C,CEALNZUTZUDWCA-UHFFFAOYSA-N
-rxn:2:87264:130994,CCOCC1CN(c2ccc(NC(c3ccnn3C)C3CC4(CCC4)C3)cn2)CC1C,LHGZVNPURXWDQY-UHFFFAOYSA-N
-rxn:2:87384:105846,CN(C1CC(NC2CC3CC2(C)C3)C12CCC2)C(C)(C)C,RBNPFESZCWDMQM-UHFFFAOYSA-N
-rxn:2:87384:123438,CN(C1CC(NC2CCC3CC2C3)C12CCC2)C(C)(C)C,GIPROTBIRNYZGH-UHFFFAOYSA-N
-rxn:2:87384:128181,CN(C1CC(NC2CC3CCC2CC3)C12CCC2)C(C)(C)C,QNYMRMRANNUCSX-UHFFFAOYSA-N
-rxn:2:87437:113096,CCc1ccc2c(c1)C(Nc1ccc3c(c1)CCN(C1CCOCC1)CC3)C(OC)CO2,GOKIHDXGPDMEKN-UHFFFAOYSA-N
-rxn:2:87463:162005,CCC(NC(C)c1ncc(-c2cc3cccc(OC)c3[nH]2)cc1OC)C(OC1CCOCC1)C(C)(C)C,PHHSVZPGXAYUIE-UHFFFAOYSA-N
-rxn:2:88564:113487,CC12COC3(S(=O)(=O)[O-])C1CCC2(C)C3NCC(F)(F)CN1CC2CCC1CC2,ODXLSQHCLOCGDJ-UHFFFAOYSA-M
-rxn:2:89481:141775,CCC(Nc1ccc(N2CCC(OC)CC2)c(C)c1)c1ccc(N2CCN(C(C)C)CC2)nc1C,VMJBHAZANLAGHZ-UHFFFAOYSA-N
-rxn:2:89551:142451,CC(=O)c1cncc(C2C(CCSC(C)NC3(c4ncnn4C)CCC(C)(C)CC3)C2(F)F)c1,UKIMMZIHZSSQOE-UHFFFAOYSA-N
-rxn:2:89551:142505,CC(=O)c1ccc(C2C(CCSC(C)NC3(c4ncnn4C)CCC(C)(C)CC3)C2(F)F)nc1,OIDRYWKUUHQTGJ-UHFFFAOYSA-N
-rxn:2:89562:99148,CCOCCCn1ccc2c1CCCC2NC(C)C(c1cccnc1)N1CCCCCC1,GJGMOOOJBFVRIM-UHFFFAOYSA-N
-rxn:2:89592:73038,CCC(NC1CCN(c2ncccc2OC)C1)c1cnc(N2CCN(CC)CC2)cc1C,VSUMWWDAIQNERQ-UHFFFAOYSA-N
-rxn:2:89752:147466,CCCC1(NC(C)c2cccc(-c3ccn(C4COC4)n3)c2OC)CCC(F)(F)CC1,VNDSXDOSSMFQNP-UHFFFAOYSA-N
-rxn:2:89768:146246,CCOC1CCN(c2ccc(C)cc2NC(C)c2ccnc(-c3ccc(OC4CCOCC4)nc3)c2)CC1,OGCZLPNNUHUGHU-UHFFFAOYSA-N
-rxn:2:89768:152052,CCOC1CCN(c2ccc(C)cc2NC(C)c2cccc(-c3ccnc(N4CCOCC4)c3)c2C)CC1,VFYSJDMFBPOLJF-UHFFFAOYSA-N
-rxn:2:89817:125295,CCC(CNC1CC(CS(=O)(=O)F)C1)(OC)C12CC3CC(CC(C3)C1)C2,RDADNDFNOVMTFX-UHFFFAOYSA-N
-rxn:2:90456:155181,CCc1cc(NC(CC)c2ccc(-c3cnc(N4CCCCC4)nc3)cc2)c(OC)cc1N1CCCC(C)C1,YBZLEXASGQLEMH-UHFFFAOYSA-N
-rxn:2:91135:126170,CCCC(C(Nc1ncccc1OCC1CC2(CC2)C1)c1ccc2c(c1)CCC2)N1CCCC1,DQRIZWOIBPNBCO-UHFFFAOYSA-N
-rxn:2:91135:171582,CCCC(C(Nc1ncccc1OCC1CC2(CC2)C1)c1ccc2c(c1)CCCC2)N1CCCC1,AJWIIFRSENYDCP-UHFFFAOYSA-N
-rxn:2:91241:114270,CCC(Nc1ccc(OCCC(C)C)nn1)C1CCN(CC(C)C)CC1,SJSCQVSSTZGALE-UHFFFAOYSA-N
-rxn:2:91316:126170,CCCC(C(Nc1c(C(C)C)ccnc1C1CC1)c1ccc2c(c1)CCC2)N1CCCC1,GNPIPFLKGFPSKI-UHFFFAOYSA-N
-rxn:2:91316:171582,CCCC(C(Nc1c(C(C)C)ccnc1C1CC1)c1ccc2c(c1)CCCC2)N1CCCC1,WGLIATXHMARHJJ-UHFFFAOYSA-N
-rxn:2:92077:149807,CCN1CCN(CCC2(NC(c3ccc(-c4nc5nc[nH]c5c(=O)[nH]4)cc3)C(C)C)COC2)CC1,PHXUEOFZINCNOF-UHFFFAOYSA-N
-rxn:2:92733:120702,CC(C)C1C(F)(F)C12CCC(Nc1cncnc1OCCN(C)C)CC2,JMZMCWBJJKTJMD-UHFFFAOYSA-N
-rxn:2:92910:165331,CCC(Nc1cnc(OCC2CCCN(CC)C2)nc1)c1cccc(-c2ccnc(N3CCOCC3)c2)c1,XALCYDUGMWBMDP-UHFFFAOYSA-N
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-rxn:2:123036:148780,CCOc1nc(N2CCC(C)(C)CC2)ccc1NC(C)c1ncc(-c2ccccc2CN2CCOCC2)cn1,QELUVGLGXLYRMA-UHFFFAOYSA-N
-rxn:2:123036:151898,CCOc1nc(N2CCC(C)(C)CC2)ccc1NC(C)c1ccnc(-c2ccccc2CN2CCOCC2)c1,ZWFGUVFNWHUQSM-UHFFFAOYSA-N
-rxn:2:123273:138546,CC(C)OCCC(Nc1ccc(N2CCC(N(C)C)CC2)cn1)C(C)C,AAEUQGSNVDDMDS-UHFFFAOYSA-N
-rxn:2:123774:162970,CCCC(NC1(CCC2CCCC2)CCN(C)CC1)c1ccc(-c2cnc3[nH]c(=O)oc3c2)cc1,ZIQGHNGYASSMID-UHFFFAOYSA-N
-rxn:2:124108:167745,COCN1CCC(CNC(c2ccc(S(C)(=O)=O)cc2)C23CC(C2)C3)CC1,AFRTVJVDRIMBFV-UHFFFAOYSA-N
-rxn:2:124436:131146,CCN1CCN(c2ncncc2NC(C)c2ccc(OCC3CCCN(C)C3)c(OC)c2)CC1,GCHZSWPLOWJXPG-UHFFFAOYSA-N
-rxn:2:125092:149892,CC(CC(c1ccccn1)N1CCN(C)CC1)NC(C)(C)CN(C)Cc1ccc2oc(=O)[nH]c2c1,FQPGURJFUKUIQL-UHFFFAOYSA-N
-rxn:2:125276:122080,CC(CCS(=O)(=O)F)NCC(C)(C)SC12CC3CC(CC(C3)C1)C2,RWEXIYVXBCRTTP-UHFFFAOYSA-N
-rxn:2:125295:124801,CCC(C)(CNC1CC(CS(=O)(=O)F)C1)C1C2CC3CC(C2)CC1C3,DWGBXEWRCQALSZ-UHFFFAOYSA-N
-rxn:2:125295:134209,CCCC(C)(CC1C2CC3CC(C2)CC1C3)NC1CC(CS(=O)(=O)F)C1,MMHRYMXEUICRIC-UHFFFAOYSA-N
-rxn:2:125295:137310,CC(C)C(C)(CC1C2CC3CC(C2)CC1C3)NC1CC(CS(=O)(=O)F)C1,GTVKZZDSEYVNPQ-UHFFFAOYSA-N
-rxn:2:125524:145705,CCCN(C)C1CC(C(C)C)CCC1NC(c1ccc(-c2cnc3[nH]c(=O)[nH]c3c2)cc1)C(C)C,QQCZUZPBAXWSAX-UHFFFAOYSA-N
-rxn:2:125726:147743,CCN1CCC(N(C)C(CNC(C)c2cc(-c3ccc(OC)cc3)n[nH]c2=O)C(C)(C)C)CC1,LOHUOCQDMULUKD-UHFFFAOYSA-N
-rxn:2:126293:143818,CC(CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)Nc1cncnc1OC1CCCC1N(C)C1CC1,XVMNIWJUCKTPDU-UHFFFAOYSA-N
-rxn:2:126412:128441,O=S(=O)(F)CCC(NCCCSC12CC3CC(CC(C3)C1)C2)C1CC1,LKEFKAPJCJEYAO-UHFFFAOYSA-N
-rxn:2:126600:133419,Cc1ccc(C(C)NC(c2n[nH]c(=O)[nH]2)C2C3CC4CC(C3)CC2C4)c(OS(=O)(=O)F)c1,QZKNILRLHHTRMI-UHFFFAOYSA-N
-rxn:2:126600:159568,Cc1ccc(C(C)Nc2cnn(C34CC5CC(CC(C5)C3)C4)c(=O)c2)c(OS(=O)(=O)F)c1,NKXTUMCBZQELOT-UHFFFAOYSA-N
-rxn:2:126811:164321,CCC(C)C(CN1CCCN(C)CC1)NC(c1ccc(-c2ccc3[nH][nH]c(=O)c3c2)cc1)C(C)C,WYRGVMBQGYJBFN-UHFFFAOYSA-N
-rxn:2:127525:120331,CCCCCC(Nc1ccc(OCC2CCCCC2)cc1C)C1=NCCCC1,ROANRNLZHSVYIA-UHFFFAOYSA-N
-rxn:2:128132:163379,Cc1ccc2c(c1)C(Nc1cncc(OS(=O)(=O)F)c1)C(CN1CCN(C)CC1)CCO2,OHSNDLNOMGQPSN-UHFFFAOYSA-N
-rxn:2:128452:141711,CCC(Nc1ccc(N2CCCCC2)cc1OC)c1cnc(N2CCN(CC)CC2)c(C)c1,LIWYFFFAOPFBOR-UHFFFAOYSA-N
-rxn:2:128748:106409,CCCOc1cc(N2CCN(C)CC2)ccc1NC(CCC)C1CCN(c2cnccn2)C1,FRYLGKSERMWDCV-UHFFFAOYSA-N
-rxn:2:128748:155181,CCCOc1cc(N2CCN(C)CC2)ccc1NC(CC)c1ccc(-c2cnc(N3CCCCC3)nc2)cc1,LEWINJRPHSIZDT-UHFFFAOYSA-N
-rxn:2:128748:162061,CCCOc1cc(N2CCN(C)CC2)ccc1NC(C)c1ccnc(-c2cnc(N3CCCCC3)nc2)c1,IBEQQVGKYAASIX-UHFFFAOYSA-N
-rxn:2:129375:158112,CC1CC(C)CN(c2ccc(C(Nc3ncnc4c3[nH]c(=O)n4CCCN(C)C)C(C)C)cc2)C1,AONICCDMMSIOAD-UHFFFAOYSA-N
-rxn:2:129597:120958,CCCCCC(NC1CCC(S(=O)(=O)CCC)CC1)C12CC3CC(CC(C3)C1)C2,ZOOIBUZJVXGVCW-UHFFFAOYSA-N
-rxn:2:129883:149407,CC(C)C(N(C)C)C(C)(C)CNC(CC1=NCCO1)c1ccc2[nH]c(=O)[nH]c2c1,WWXSEWAPSMZTQA-UHFFFAOYSA-N
-rxn:2:129951:151688,CCCCOc1ccc2nc(C)cc(C(C)NC3(c4nc(C)cc(C5CCCN(C)C5)n4)CC3)c2c1,ADTCDPKBOLPLQU-UHFFFAOYSA-N
-rxn:2:130169:83584,CCC1CCCN(c2ccc(NC(C)c3cnccc3OCCN3CCCCC3)c(C)c2)C1,JJWWKNOFTFRKNM-UHFFFAOYSA-N
-rxn:2:130197:143480,CCC(NC1(C(c2ccc3oc(=O)[nH]c3c2)N(C)C)CC1)c1ccc(N2CCN(C)CC2)nc1C,QTYIXQVSJXKCGZ-UHFFFAOYSA-N
-rxn:2:131513:154760,CC(CN1CCN(C)CC1)C(NC(C)(C)CN(C)Cc1ccc2[nH]c(=O)[nH]c2c1)c1ccccc1,WGYKQWBYTFPXMG-UHFFFAOYSA-N
-rxn:2:132803:142380,CCN1CCC(CNC(C)c2ccc(OC)c(-c3cccn4ccnc34)c2)(N2CCOCC2C)CC1,BZGKLMBVLFFLHR-UHFFFAOYSA-N
-rxn:2:132803:146558,CCN1CCC(CNC(C)c2ccc(OC)c(-c3ccc4[nH]cnc4c3)c2)(N2CCOCC2C)CC1,IXSSVMOIMCVBRP-UHFFFAOYSA-N
-rxn:2:132803:153265,CCN1CCC(CNC(C)c2ccc(OC)c(-c3ccc4[nH]c(=O)[nH]c4c3)c2)(N2CCOCC2C)CC1,OTOYWHHSHVMAKZ-UHFFFAOYSA-N
-rxn:2:132803:164261,CCN1CCC(CNC(C)c2c[nH]c3ncc(-c4cccc(OC)c4C)cc23)(N2CCOCC2C)CC1,BLKSAYZRGALHPR-UHFFFAOYSA-N
-rxn:2:132803:167448,CCN1CCC(CNC(C)c2ccc(OC)c(-c3cnc(C)c4cc[nH]c34)c2)(N2CCOCC2C)CC1,AKJKJOACDDYAOU-UHFFFAOYSA-N
-rxn:2:133266:75145,CCC1COCCN1C1(CNC(COCc2ccccc2)c2ccnn2C)CCN(C)CC1,JJWKVMLEYXVPPU-UHFFFAOYSA-N
-rxn:2:133299:157727,CCCn1nc(-c2cccnc2)cc(C(C)NCCN2CCC(N(C)C(C)C)CC2)c1=O,WHZPGMKNFXEDOT-UHFFFAOYSA-N
-rxn:2:134124:158106,CCCCCC(NCC(c1cccnc1)N1CCN(C)C(C)C1)c1cn(C)c(=O)n(C)c1=O,KEFUOXWUMXQHFM-UHFFFAOYSA-N
-rxn:2:134221:143480,CCC(NC1(C(c2ccc3oc(=O)[nH]c3c2)N(C)C)CC1)c1cnc(N2CCN(C)CC2)cc1C,ZVAFLVQQWJNSQZ-UHFFFAOYSA-N
-rxn:2:134270:134221,CCC(NCCCCN1CCc2cc(C)ccc21)c1cnc(N2CCN(C)CC2)cc1C,VATKGNMGYUKDMO-UHFFFAOYSA-N
-rxn:2:134391:143480,CN(C)C(c1ccc2oc(=O)[nH]c2c1)C1(NC2CCCc3c2cnn3COCC[Si](C)(C)C)CC1,CUUVSKBEZPCMSP-UHFFFAOYSA-N
-rxn:2:136378:141011,CN(C)C(c1cccnc1)C1(NC2CCN(CCOS(C)(=O)=O)CC2)CC1,QNZAZHKJOVPOLZ-UHFFFAOYSA-N
-rxn:2:137448:168561,CC(C)C(N(C)C)C1(CNC(C#CN2CCCCC2)c2ccc3[nH]c(=O)[nH]c3c2)CC1,IMMILOOLRZXYRU-UHFFFAOYSA-N
-rxn:2:138080:152050,CC(N[C@H]1CC[C@H](COc2cn[nH]c2)CC1)SCCC#Cc1ccc(C(=O)C(C)C)cc1,GGIGWSRXYNDDSW-CNGZMADBSA-N
-rxn:2:138098:163067,CC(C)C(NCC1CN(C)CCCN1CCN(C)C)c1ccc(-c2nc3ccsc3c(=O)[nH]2)cc1,IHTAIRFHJNLVJH-UHFFFAOYSA-N
-rxn:2:138098:164912,CC(C)C(NCC1CN(C)CCCN1CCN(C)C)c1ccc(-c2cc3c(=O)nc[nH]c3s2)cc1,QZKYAECOMYBNBT-UHFFFAOYSA-N
-rxn:2:138759:122629,CCN1CCC(COc2ncc(NC(C)c3ccc(OC)c(CN4CCOCC4)c3)cn2)CC1,BJZUYOYQSORDOG-UHFFFAOYSA-N
-rxn:2:139262:144460,CCC(NCc1ccnc(N2CCN(C(C)C)CC2)n1)c1cccc(C2C(CSC(C)=O)C2(F)F)c1,WGHDXZSGTVZMMU-UHFFFAOYSA-N
-rxn:2:140012:169845,CCCC(NCCCN1CCC2(CC(OC)CCO2)C1)c1ccc(-c2ncc3ccccc3n2)cc1,ZREUZNFYEKXRKR-UHFFFAOYSA-N
-rxn:2:140953:119356,CC(Nc1ncccc1CN1CCN(C(C)C)CC1)c1cnccc1OCC1(C)CCC1,SBNZMVBSMQGJRH-UHFFFAOYSA-N
-rxn:2:140953:138698,CCn1ncc(C(C)Nc2ncccc2CN2CCN(C(C)C)CC2)c1OCC1CC1,SDXXPOBTZZVYDA-UHFFFAOYSA-N
-rxn:2:141058:152573,CCc1nc2cc(C(CN3CC(C)CC(C)C3)Nc3cc(CN(C)C4CCCC4)ccc3OC)ccc2[nH]1,XEBFMHKMJKEESD-UHFFFAOYSA-N
-rxn:2:141291:145705,CCN(C)CC1CC(C(C)C)CCC1NC(c1ccc(-c2cnc3[nH]c(=O)[nH]c3c2)cc1)C(C)C,ZUBOJRYLTPIVTM-UHFFFAOYSA-N
-rxn:2:141435:120973,CCC(Nc1ccc(N2CCC(C)C2)nc1OCC(C)C)c1ccc2c(c1)N(C)CC(C)O2,NBJBNVOBQPXCFO-UHFFFAOYSA-N
-rxn:2:142169:144472,CCCC(NC(CCN1CCCN(C)CC1)C(C)C)c1ccc(-c2ccc3n[nH]c(=O)n3n2)cc1,FCMPBNQWEDNDHE-UHFFFAOYSA-N
-rxn:2:142169:145705,CC(C)C(CCN1CCCN(C)CC1)NC(c1ccc(-c2cnc3[nH]c(=O)[nH]c3c2)cc1)C(C)C,IEWHHLDFMUYVJR-UHFFFAOYSA-N
-rxn:2:142819:129368,CCCCn1nc(-c2cccs2)cc(NC(CCC)CN2CCN(C(C)(C)C)CC2)c1=O,NEGFITHOYJYSEP-UHFFFAOYSA-N
-rxn:2:146689:144460,CCC(NC1(c2nc(-c3n[nH]c(C(C)C)n3)c[nH]2)CCC1)c1cccc(C2C(CSC(C)=O)C2(F)F)c1,XOQHARSOUKAJGA-UHFFFAOYSA-N
-rxn:2:146689:149822,CCC(NC1(c2nc(-c3n[nH]c(C(C)C)n3)c[nH]2)CCC1)c1ccc(C2C(CSC(C)=O)C2(F)F)cc1,PATURFCAVZQZMC-UHFFFAOYSA-N
-rxn:2:149892:129213,CCCC(NC(C)(C)CN(C)Cc1ccc2oc(=O)[nH]c2c1)C1CCCN(C(C)C)C1,DAOQPXJFRWILAX-UHFFFAOYSA-N
-rxn:2:149892:135617,CN(Cc1ccc2oc(=O)[nH]c2c1)CC(C)(C)NC(c1ccc(CN2CCOCC2)cc1)C1CC1,GFFSFEYOUHWQKI-UHFFFAOYSA-N
-rxn:2:149892:146041,CC(NC(C)(C)CN(C)Cc1ccc2oc(=O)[nH]c2c1)SCC#Cc1ccc2c(c1)C(=O)CCO2,VKKNWWKWWDRMGU-UHFFFAOYSA-N
-rxn:2:149892:71429,CC(CN1CCCC1)C(NC(C)(C)CN(C)Cc1ccc2oc(=O)[nH]c2c1)c1ccc2c(c1)OCO2,LASPGSQVOCZFMU-UHFFFAOYSA-N
-rxn:2:154760:125092,CC(CC(c1ccccn1)N1CCN(C)CC1)NC(C)(C)CN(C)Cc1ccc2[nH]c(=O)[nH]c2c1,HCUYPJNLYSGNMJ-UHFFFAOYSA-N
-rxn:2:154760:70249,CCCC(NC(C)(C)CN(C)Cc1ccc2[nH]c(=O)[nH]c2c1)C1CCCCN1C1CCCC1,SONROPLGHHSERV-UHFFFAOYSA-N
-rxn:2:156260:117752,CCC1CCN(CC(Nc2cc(C)nc3ccc(OCC4CCC4)cc23)c2cc(C)[nH]c2C)CC1,QLDNGCXYMDKASW-UHFFFAOYSA-N
-rxn:2:157731:156075,CCOc1ccc2ccccc2c1C(CN1CCOCC1)NC1(c2c[nH]c3ncc(OC)nc23)CCCCC1,NDEYVPDINCJWSH-UHFFFAOYSA-N
-rxn:2:160555:79721,CCC(Nc1ccc2nc(OCCC(C)C)ccc2c1)C1CCN(CC2CC2)CC1,QKYGAQCFHYXYIA-UHFFFAOYSA-N
-rxn:2:160563:96642,CCCC(Nc1ccc2c(c1)c(OCCC(C)C)nn2C)C1CCN(C2CC2)CC1,WRIKOXAPCXUDMU-UHFFFAOYSA-N
-rxn:2:161652:73038,CCC(NCC(C)(C)N(C)Cc1ccc2oc(=O)[nH]c2c1)c1cnc(N2CCN(CC)CC2)cc1C,WWZYGEIPZSAPEK-UHFFFAOYSA-N
-rxn:2:167112:122583,CCC(C)C(NC(CCN1CCCCC1)c1ccc(OC)c(C)c1C)c1nc2cnccc2c(=O)[nH]1,SJWNUZMAMXVVRI-UHFFFAOYSA-N
-rxn:2:167112:141112,CCC(C)C(NC(CCN1CCN(C2CCCC2)CC1)c1ccccc1)c1nc2cnccc2c(=O)[nH]1,OGWNRTJMMJLWCH-UHFFFAOYSA-N
-rxn:2:168466:171582,CCCC(C(Nc1noc2cccc(OCC3CCCC3)c12)c1ccc2c(c1)CCCC2)N1CCCC1,KBOSDQUBKUURDC-UHFFFAOYSA-N
-rxn:2:66206:168561,CC(N(C)C)C1(CNC(C#CN2CCCCC2)c2ccc3[nH]c(=O)[nH]c3c2)COC1,YMSFAGMWEFJTQC-UHFFFAOYSA-N
-rxn:2:66620:128441,CC(C)(CNC(CCS(=O)(=O)F)C1CC1)SC1C2CC3CC(C2)CC1C3,GJXSCRKXFICHEG-UHFFFAOYSA-N
-rxn:2:66778:142505,CC(=O)c1ccc(C2C(CCSC(C)NC3(c4nc(C(C)C)nn4C)CCCCC3)C2(F)F)nc1,XINBOVRNCPAKEE-UHFFFAOYSA-N
-rxn:2:66876:101629,CCCC(C)N1CCC(C(CC)Nc2ccc(N3CCCC(F)C3)cc2)CC1,TWOSNGNXPWBIDP-UHFFFAOYSA-N
-rxn:2:69035:105145,CCC(Nc1ccc(N2CCC(N(C)C)CC2)cc1OC)c1ccc(N2CCC3(CC2)CC3)cc1,PVHDQWUGDOYGOR-UHFFFAOYSA-N
-rxn:2:69035:141711,CCC(Nc1ccc(N2CCC(N(C)C)CC2)cc1OC)c1cnc(N2CCN(CC)CC2)c(C)c1,OOPUMQKCZKVBPS-UHFFFAOYSA-N
-rxn:2:69147:133840,CC(CCCCn1[nH]c(=O)ccc1=O)NCC1CN(C)C(C)(C)CN1Cc1cccnc1,KDYXNHXFCUAHBD-UHFFFAOYSA-N
-rxn:2:69566:153335,CCS(=O)(=O)c1ccc(C(NCC2(N(C)C)CN3CCC2CC3)C2CCCC2)cc1,JPHSQDQRULVJNY-UHFFFAOYSA-N
-rxn:2:69566:99502,CN(C)C1(CNC2CC(CS(=O)(=O)c3ccccc3)C2)CN2CCC1CC2,GPIVTBSXXXDPIM-UHFFFAOYSA-N
-rxn:2:70251:145738,CCC(NCCCN1CCC(N(C)C)CC1)c1cnc(N2CCc3ccccc32)cc1C,RWARYKUMUFOMPN-UHFFFAOYSA-N
-rxn:2:70251:166561,CCC(NCCCN1CCC(N(C)C)CC1)c1ccc(N2CCc3ccccc32)nc1C,DJURHUJQGKRIHG-UHFFFAOYSA-N
-rxn:2:71219:138546,CC(C)OCCC(Nc1ccc(N2CCC(N(C)C)CC2)cn1)C1CC1,ZSHVEJZSJCFCQN-UHFFFAOYSA-N
-rxn:2:71645:138759,CCC(C(Nc1cnc(OCC2CCN(CC)CC2)nc1)c1ccccc1)N1CCOCC1,XYZDSZMSPYZHPN-UHFFFAOYSA-N
-rxn:2:72120:81015,CCC(Nc1[nH]nc2c1CN(CCCN(C)C)CC2)c1ccc(N2CC[C@H](F)C2)cc1,IRWGYAIXIGFJBF-YDNXMHBPSA-N
-rxn:2:72120:86701,CC(Nc1[nH]nc2c1CN(CCCN(C)C)CC2)SCC#Cc1ccc(C(=O)C(C)C)cc1,BFQHTEKLWMBPLP-UHFFFAOYSA-N
-rxn:2:72473:125690,CCOCC(C)N1CCC(NC(C)c2cccc(N3CCCCC3)c2)CC1,NSOYODTWHMNOMD-UHFFFAOYSA-N
-rxn:2:72574:143480,CC1CCC(NC2(C(c3ccc4oc(=O)[nH]c4c3)N(C)C)CC2)C(CN(C)Cc2nccn2C)C1,GXRRCYFZUKWOLG-UHFFFAOYSA-N
-rxn:2:72574:144025,CC1CCC(NCCC(c2ccc3[nH]c(=O)oc3c2)N(C)C)C(CN(C)Cc2nccn2C)C1,NILNWHRFGQDZEY-UHFFFAOYSA-N
-rxn:2:72574:148609,CC1CCC(NC(C)C(c2ccc3[nH]c(=O)oc3c2)N(C)C)C(CN(C)Cc2nccn2C)C1,RXIDYAQWAMNWNN-UHFFFAOYSA-N
-rxn:2:72574:153416,CC1CCC(NC(C)CN(C)Cc2ccc3[nH]c(=O)[nH]c3c2)C(CN(C)Cc2nccn2C)C1,DRAOBLKIIQLZSO-UHFFFAOYSA-N
-rxn:2:72574:158492,CC1CCC(NCC(C)C(c2ccc3oc(=O)[nH]c3c2)N(C)C)C(CN(C)Cc2nccn2C)C1,AGRPNGBMQZJKAA-UHFFFAOYSA-N
-rxn:2:73519:105477,CC(Cc1ncn2c1CC(N(C)C)CC2)NC(COCC1CCOC1)c1cccn1C,LKLAZDWEPYEKQB-UHFFFAOYSA-N
-rxn:2:74153:123273,CC(C)OCCC(Nc1cccnc1N1CCC(N(C)C)CC1)C(C)C,FQVKAYHBCWTZJL-UHFFFAOYSA-N
-rxn:2:74307:148870,CCCO[C@H]1CC[C@](C)(NC(CN2CCN(CC)CC2)c2c(C)[nH]c3ccccc23)CC1,LTDHHSDOGDMQBI-DAEBXUFFSA-N
-rxn:2:74683:112215,CCC(C(Nc1cnccc1OCCN1CCCCC1)c1ccc2c(c1)CCC2)N1CCCC1,KXVGFRNSQZPOIE-UHFFFAOYSA-N
-rxn:2:74683:115389,CCC(C(Nc1cnccc1OCCN1CCCCC1)c1ccc2c(c1)CCCC2)N1CCCC1,DRYAVKHMFJNYHN-UHFFFAOYSA-N
-rxn:2:74819:113250,CC(CCCCN1CCCSCC1)NC(c1ccc[nH]1)C1CCCN(C)C1,GTJVPEDWYUWALY-UHFFFAOYSA-N
-rxn:2:74819:96572,CC(CCCCN1CCSCC1)NC(c1ccc[nH]1)C1CCCN(C)C1,FNGUMZYHSVQOBP-UHFFFAOYSA-N
-rxn:2:76294:152052,COCC(CN1CCOCC1)NC(C)c1cccc(-c2ccnc(N3CCOCC3)c2)c1C,ZUHRYFGTJQZKCL-UHFFFAOYSA-N
-rxn:2:76442:150671,CCN1CCC(N(C)CCC(C)NC(CC(C)C)c2nc3cnccc3c(=O)[nH]2)CC1,NQRFZNJXVZUUBT-UHFFFAOYSA-N
-rxn:2:77050:117066,CC(NC12CN(C)CC(CN(C3CC3)C1)C2(F)F)c1ccc(OS(=O)(=O)[O-])cc1,FSVBHBCKWWZJRS-UHFFFAOYSA-M
-rxn:2:77052:169450,CCC(C)c1ccccc1-c1cnn(C2CCC(Nc3cnccc3OC3CCN(CC)CC3)CC2)c1,OIVVIMZOUKASLG-UHFFFAOYSA-N
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-rxn:2:87289:125690,CCOCC(C)N1CCC(NC(C)c2ccc(N3CCCCC3)cc2)CC1,SEACFBONKZAUQR-UHFFFAOYSA-N
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-rxn:2:89562:113483,CCCC(COc1ccc2c(c1)CCC2)NC(C)C(c1cccnc1)N1CCCCCC1,DOEDFLJKWPTVNR-UHFFFAOYSA-N
-rxn:2:89768:112995,CCOC1CCN(c2ccc(C)cc2NC(CCN(C)C)c2cnc(N3CCCC3)nc2C)CC1,CNMQELRREIDQFY-UHFFFAOYSA-N
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-rxn:2:89817:132685,CCC(CNC(C)CCS(=O)(=O)C1CC1)(OC)C12CC3CC(CC(C3)C1)C2,MRQPAGGGOISIMF-UHFFFAOYSA-N
-rxn:2:90505:111216,CCn1ncc(C(CN2CCOCC2)Nc2ncccc2COCC2CCOCC2)c1C,HFVKTYPVXGBXAH-UHFFFAOYSA-N
-rxn:2:90524:128441,O=S(=O)(F)CCC(NCCSC12CC3CC(CC(C3)C1)C2)C1CC1,KMNLFQMCKNICJR-UHFFFAOYSA-N
-rxn:2:90859:166663,CC(C)[C@@H](Cn1nc(C2CC2)ccc1=O)NC(C#CN1CCN(C)CC1)c1ccc2[nH]cnc2c1,FEJJPRDOVNXGLO-ZWAGFTRDSA-N
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-rxn:2:91184:143818,CC(CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)NCC(c1ccco1)N1CCC(N(C)C)CC1,NKVAMWSDEQNHBA-UHFFFAOYSA-N
-rxn:2:91184:144746,CC(CC(C)(C)Cc1nc2ccccc2c(=O)[nH]1)NCC(c1ccco1)N1CCC(N(C)C)CC1,ZBMQTAKIVOKGJW-UHFFFAOYSA-N
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-rxn:2:93686:110698,CC(CCCN(C)C(C)C)Nc1cnccc1N1CCC(N(C)C)CC1,LGXKVVVGMVZFRQ-UHFFFAOYSA-N
-rxn:2:93686:123273,CC(C)OCCC(Nc1cnccc1N1CCC(N(C)C)CC1)C(C)C,QSCHBNGNPCUBHJ-UHFFFAOYSA-N
-rxn:2:93780:135989,CCC(Nc1ccc(OCCN2CCC(C)CC2)nc1)C(C)CC(C)C,IHSUSWJSAQAIPY-UHFFFAOYSA-N
-rxn:2:94128:171582,CCCC(C(Nc1cc(OC)cc(N2CC(C)OC(C)C2)c1)c1ccc2c(c1)CCCC2)N1CCCC1,BCYCYWFOFSNYOG-UHFFFAOYSA-N
-rxn:2:94719:171582,CCCC(C(Nc1ccc(OCC2CC2)c2nonc12)c1ccc2c(c1)CCCC2)N1CCCC1,VDXCAXHYNXXYJX-UHFFFAOYSA-N
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-rxn:2:96197:147524,CCc1nc2cc(C(CCN3CCCC3)Nc3cccc(C)c3OC3CCN(C)CC3)ccc2[nH]1,JFHKQNDCKKHMDU-UHFFFAOYSA-N
-rxn:2:96789:148870,CCN1CCN(CC(NCC(OC)C2CCOCC2)c2c(C)[nH]c3ccccc23)CC1,MGHRYYIEWZGMLC-UHFFFAOYSA-N
-rxn:2:97754:123810,CCOCC1CCN(c2ccccc2NC(CC)c2cnc(N3CCOCC3)c(C)c2)C1,AXDOCTLYGFGNPM-UHFFFAOYSA-N
-rxn:2:98035:142505,CC(=O)c1ccc(C2C(CCSC(C)NC3(c4nc(C(C)C)nn4C)CCCC3)C2(F)F)nc1,KUUQCGWKGJAVAD-UHFFFAOYSA-N
-rxn:2:98598:146273,CC(Nc1cncc(OC(C)(C)CN(C)C)c1)SCCC#Cc1ccc2c(c1)C(=O)CCO2,CFSHESODTDGDQX-UHFFFAOYSA-N
-rxn:2:98725:123810,CCCN1CCN(c2ccc(OC)cc2NC(CC)c2cnc(N3CCOCC3)c(C)c2)CC1,LQGHHMOHPABUBJ-UHFFFAOYSA-N
-rxn:2:98725:167688,CCCN1CCN(c2ccc(OC)cc2NC(C)c2ccc(-c3cnc(N4CCOCC4)nc3)cc2C)CC1,OPVGKZBERDEYFR-UHFFFAOYSA-N
-rxn:2:98833:123810,CCc1cc(NC(CC)c2cnc(N3CCOCC3)c(C)c2)c(OC)cc1N1CCOCC1,SVUVIHJYZUUBTI-UHFFFAOYSA-N
-rxn:2:99502:105921,CCCN(C)C1(CNC2CC(CS(=O)(=O)c3ccccc3)C2)CN2CCC1CC2,CDDRXVSGPPDTMD-UHFFFAOYSA-N
-rxn:2:99502:109467,CN(C1CC1)C1(CNC2CC(CS(=O)(=O)c3ccccc3)C2)CN2CCC1CC2,TYNKPOYFJBRRAH-UHFFFAOYSA-N
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-rxn:1:50887:33655,CCN1CCC(C(=O)Nc2cncc(-c3cn(CC4C(c5ccnc(C(=O)OC)c5)C4(F)F)nn3)c2)CC1,OXHPGKPSLROTFW-UHFFFAOYSA-N
-rxn:1:50887:33976,CCN1CCC(C(=O)Nc2ccc(-c3cn(CC4C(c5ccnc(C(=O)OC)c5)C4(F)F)nn3)nc2)CC1,ONIRHTBSJLIVHV-UHFFFAOYSA-N
-rxn:1:50890:33655,CCN1CCC(C(=O)Nc2cncc(-c3cn(CC4C(c5cnccc5C(=O)OC)C4(F)F)nn3)c2)CC1,KVIMNCLMWQIMTI-UHFFFAOYSA-N
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-rxn:1:51456:1988,CCCCC1CCC(c2ccc(-c3cn(CC4C(c5cc(C(=O)OC)c6cn[nH]c6c5)C4(F)F)nn3)cc2)CC1,ROVCXISSYIMNAR-UHFFFAOYSA-N
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-rxn:1:51457:17647,CCC(CC)n1nc(-c2cn(CC3C(c4n[nH]c5cc(C(=O)OC)ccc45)C3(F)F)nn2)cc1C1CCCC1,UMAPXNFRNCGZGF-UHFFFAOYSA-N
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-rxn:1:51457:34822,CCC1CCC(C(=O)Nc2ccc(-c3cn(CC4C(c5n[nH]c6cc(C(=O)OC)ccc56)C4(F)F)nn3)nc2)CC1,DVGQBPHTHGQYMY-UHFFFAOYSA-N
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-rxn:1:51467:17647,CCC(CC)n1nc(-c2cn(CC3C(c4cc(C(=O)OC)c5cc[nH]c5c4)C3(F)F)nn2)cc1C1CCCC1,UXJOPMXBSHUQDG-UHFFFAOYSA-N
-rxn:1:51467:17733,CCC(CC)n1nc(-c2cn(CC3C(c4cc(C(=O)OC)c5cc[nH]c5c4)C3(F)F)nn2)cc1C1CCCCC1,UBTLDZPEXALGFY-UHFFFAOYSA-N
-rxn:1:51467:21209,CCC(c1ccc(O)cc1C)n1nc(C2CCCCC2)cc1-c1cn(CC2C(c3cc(C(=O)OC)c4cc[nH]c4c3)C2(F)F)nn1,BIQPOWCANSEVAM-UHFFFAOYSA-N
-rxn:1:51468:16987,CCC(CC)n1ncc(-c2cn(CC3C(c4ccc5[nH]cc(C(=O)OC)c5c4)C3(F)F)nn2)c1C1CCCCC1,BLBQLUNIWFOSCN-UHFFFAOYSA-N
-rxn:1:51468:17647,CCC(CC)n1nc(-c2cn(CC3C(c4ccc5[nH]cc(C(=O)OC)c5c4)C3(F)F)nn2)cc1C1CCCC1,JJUZOXKASCQWBU-UHFFFAOYSA-N
-rxn:1:51468:17733,CCC(CC)n1nc(-c2cn(CC3C(c4ccc5[nH]cc(C(=O)OC)c5c4)C3(F)F)nn2)cc1C1CCCCC1,FDPKRITUERQHFB-UHFFFAOYSA-N
-rxn:1:51470:5252,CCN1CCCC(C(C)Nc2cccc(-c3cn(CC4C(c5ccc6cc(C(=O)OC)[nH]c6c5)C4(F)F)nn3)c2)C1,CHYMJQJADLKHOA-UHFFFAOYSA-N
-rxn:1:51471:15679,CCC(CC)n1cc(-c2cn(CC3C(c4c[nH]c5cc(C(=O)OC)ccc45)C3(F)F)nn2)c(C2CCCCC2)n1,YDRAILUDJGNPJS-UHFFFAOYSA-N
-rxn:1:51471:16987,CCC(CC)n1ncc(-c2cn(CC3C(c4c[nH]c5cc(C(=O)OC)ccc45)C3(F)F)nn2)c1C1CCCCC1,BANQASSUMAYPNE-UHFFFAOYSA-N
-rxn:1:51471:17647,CCC(CC)n1nc(-c2cn(CC3C(c4c[nH]c5cc(C(=O)OC)ccc45)C3(F)F)nn2)cc1C1CCCC1,LAHQWHAVFBLCSH-UHFFFAOYSA-N
-rxn:1:51471:17733,CCC(CC)n1nc(-c2cn(CC3C(c4c[nH]c5cc(C(=O)OC)ccc45)C3(F)F)nn2)cc1C1CCCCC1,JVWZAMLMJSEHOY-UHFFFAOYSA-N
-rxn:1:51538:29824,O=C(Cl)Cn1cc(C(=O)N2CC[C@H]3C[C@@H]2C(=O)NCCN(Cc2ncccn2)CCCOc2ccccc23)nn1,YDTBOQNDTOHJPY-SIKLNZKXSA-N
-rxn:1:51538:29829,O=C(Cl)Cn1cc(C(=O)N2CC[C@H]3C[C@@H]2C(=O)NCCN(Cc2ncccc2F)CCCOc2ccccc23)nn1,DRLVAUVHDSEFOI-YADARESESA-N
-rxn:1:51538:29884,O=C(Cl)Cn1cc(C(=O)N2CC[C@H]3C[C@@H]2C(=O)NCCCN(Cc2ncccn2)CCOc2ccccc23)nn1,YVDCVSAIWDATCF-SIKLNZKXSA-N
-rxn:1:51618:33319,Cc1ccc(C(=O)N2CC(N3CC(N(C)C)C3)C2)cc1-c1cn(CCC2CC2c2nc(Br)cs2)nn1,RRFSYGHEKXGZHD-UHFFFAOYSA-N
-rxn:1:51658:37247,CC(C)(C)OC(=O)N1CC2(CC(=Cc3cccc(-c4cn(CCC5CC5c5cnc(F)nc5)nn4)c3F)C2)C1,GRGKVQIQCFHCSM-UHFFFAOYSA-N
-rxn:1:51712:33319,Cc1ccc(C(=O)N2CC(N3CC(N(C)C)C3)C2)cc1-c1cn(CCC2CC2c2cccnc2Cl)nn1,MIEZQMHBOMYURD-UHFFFAOYSA-N
-rxn:1:51713:33319,Cc1ccc(C(=O)N2CC(N3CC(N(C)C)C3)C2)cc1-c1cn(CCC2CC2c2cccnc2F)nn1,PNSMLVXVUDQBKJ-UHFFFAOYSA-N
-rxn:1:51714:33319,Cc1ccc(C(=O)N2CC(N3CC(N(C)C)C3)C2)cc1-c1cn(CCC2CC2c2cccnc2Br)nn1,QJRXWUZMGJVGSZ-UHFFFAOYSA-N
-rxn:1:51720:33319,Cc1ccc(C(=O)N2CC(N3CC(N(C)C)C3)C2)cc1-c1cn(CCC2CC2c2ccncc2Br)nn1,CEEFTXSQLOBTCT-UHFFFAOYSA-N
-rxn:1:51723:33319,Cc1ccc(C(=O)N2CC(N3CC(N(C)C)C3)C2)cc1-c1cn(CCC2CC2c2ccnc(Cl)c2)nn1,ARBGDBVYGBFTIE-UHFFFAOYSA-N
-rxn:1:51724:33319,Cc1ccc(C(=O)N2CC(N3CC(N(C)C)C3)C2)cc1-c1cn(CCC2CC2c2ccnc(F)c2)nn1,VVJFPADNUAIWIR-UHFFFAOYSA-N
-rxn:1:51725:33319,Cc1ccc(C(=O)N2CC(N3CC(N(C)C)C3)C2)cc1-c1cn(CCC2CC2c2ccnc(Br)c2)nn1,KYRGWKTUYFBWLY-UHFFFAOYSA-N
-rxn:1:51992:33319,Cc1ccc(C(=O)N2CC(N3CC(N(C)C)C3)C2)cc1-c1cn(CCC2CC2c2cnc(Cl)nc2Cl)nn1,QSYWCDPSFMVFGA-UHFFFAOYSA-N
-rxn:1:52388:35512,CCN1CCCN(C(=O)c2ccc(-c3cn(CCC4CC4c4cnc(Cl)nc4OC)nn3)cc2Cl)CC1,VYZIHACELFLFDA-UHFFFAOYSA-N
-rxn:1:52502:34970,CCC1CCC(C(=O)Nc2ncc(Br)cc2-c2cn(CCC3CC3c3cc(Cl)cnc3OC)nn2)CC1,HPYXRIJJERFQKM-UHFFFAOYSA-N
-rxn:1:52575:28215,CC(C)(C)OC(=O)NC1(c2cn(CCC3CC3c3ccc4scnc4c3)nn2)CCC(F)(F)C1,XDJMAXYEZWZTPH-UHFFFAOYSA-N
-rxn:1:53095:29914,CN1CC2(CCCN(Cc3ccncc3F)CCn3cc(cn3)C1=O)CCN(C(=O)c1cn(CCCBr)nn1)CC2,KPHHXVQMVWPPDZ-UHFFFAOYSA-N
-rxn:1:53145:32298,CC(C)(C)OC(=O)N1CC2(c3cn(CCC4CC4c4c[nH]c5nc(Cl)nc(Cl)c45)nn3)CC1C2,CXLUNIUYBMQYML-UHFFFAOYSA-N
-rxn:1:53219:29824,O=C(O)CCC(F)(F)Cn1cc(C(=O)N2CC[C@H]3C[C@@H]2C(=O)NCCN(Cc2ncccn2)CCCOc2ccccc23)nn1,GQGZMELTVMEXFM-XUZZJYLKSA-N
-rxn:1:53219:29884,O=C(O)CCC(F)(F)Cn1cc(C(=O)N2CC[C@H]3C[C@@H]2C(=O)NCCCN(Cc2ncccn2)CCOc2ccccc23)nn1,RFKVVFGGGONANQ-XUZZJYLKSA-N
-rxn:1:53325:9825,CCN1CCC2(CC1)CN(Cc1cn(CCC3C(c4cn[nH]c4)C3(F)F)nn1)c1cc(OC)c(OC)cc1N2,JEPCKJVXXNFVRS-UHFFFAOYSA-N
-rxn:1:53366:30345,CCn1nccc1CN1CCCn2cc(cn2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(CCC3C(c4ncccn4)C3(F)F)nn1)CC2,RXYDDSIAZFNYGV-UHFFFAOYSA-N
-rxn:1:53419:30705,CCCC(=O)N1CCCn2cc(cn2)C(=O)N(C)CC2(CCC1)CCCN(C(=O)c1cn(CCC3C(c4cnc(Br)cn4)C3(F)F)nn1)C2,ZNPWDYIXYSPISZ-UHFFFAOYSA-N
-rxn:1:53878:35532,CCN1CCC(C(=O)Nc2ncc(Br)cc2-c2cn(CCC3C(c4cnccc4OC)C3(F)F)nn2)CC1,HCIBGBJXTSMUGX-UHFFFAOYSA-N
-rxn:1:53879:33655,CCN1CCC(C(=O)Nc2cncc(-c3cn(CCC4C(c5cccnc5OC)C4(F)F)nn3)c2)CC1,VRBHMVIYCKVAPR-UHFFFAOYSA-N
-rxn:1:53879:34589,CCC1CCC(C(=O)Nc2ncc(Br)nc2-c2cn(CCC3C(c4cccnc4OC)C3(F)F)nn2)CC1,CBXXROIPKUXFAY-UHFFFAOYSA-N
-rxn:1:53970:33655,CCN1CCC(C(=O)Nc2cncc(-c3cn(CCC4C(c5ccc(O)c(OC)c5)C4(F)F)nn3)c2)CC1,BTYBZDDSUHZTNO-UHFFFAOYSA-N
-rxn:1:54107:35303,CCC1(C(=O)Nc2ccc(C)c(-c3cn(CCC4C(c5cnc(Cl)nc5OC)C4(F)F)nn3)c2)COC1,FLHLGLFQELFVJY-UHFFFAOYSA-N
-rxn:1:54109:33655,CCN1CCC(C(=O)Nc2cncc(-c3cn(CCC4C(c5cnc(N)c(OC)c5)C4(F)F)nn3)c2)CC1,SROLQMYCBRWIEW-UHFFFAOYSA-N
-rxn:1:54109:34822,CCC1CCC(C(=O)Nc2ccc(-c3cn(CCC4C(c5cnc(N)c(OC)c5)C4(F)F)nn3)nc2)CC1,FZPHUROOQBCRLD-UHFFFAOYSA-N
-rxn:1:54807:33976,CCN1CCC(C(=O)Nc2ccc(-c3cn(CCC4C(c5ccc6ncn(C)c(=O)c6c5)C4(F)F)nn3)nc2)CC1,BKRFNKLGPCUOHY-UHFFFAOYSA-N
-rxn:1:54830:16983,CN(C)CCn1ncc(-c2cn(CCC3C(c4ccc5[nH]c(=O)oc(=O)c5c4)C3(F)F)nn2)c1C1CCCCC1,WUOUKYLLVVBVRK-UHFFFAOYSA-N
-rxn:1:55526:29090,CC1(C)OB(C(F)=C2CCN(c3cc(-c4cn(CC5CC5c5nc([N+](=O)[O-])c[nH]5)nn4)ncn3)CC2)OC1(C)C,YTMORJCJNZPXJE-UHFFFAOYSA-N
-rxn:1:55886:34589,CCC1CCC(C(=O)Nc2ncc(Br)nc2-c2cn(CC3CC3c3ccc(C(=O)OC)[nH]3)nn2)CC1,SOSWJYPWTSTXCZ-UHFFFAOYSA-N
-rxn:1:56015:37247,CC(C)(C)OC(=O)N1CC2(CC(=Cc3cccc(-c4cn(CC5CC5c5c[nH]c6nccc(Cl)c56)nn4)c3F)C2)C1,MCZPLOTWHQVMNB-UHFFFAOYSA-N
-rxn:1:56336:34589,CCC1CCC(C(=O)Nc2ncc(Br)nc2-c2cn(CC3CC3c3cc(C(=O)OC)ccn3)nn2)CC1,KAHIUNDPXQPMJY-UHFFFAOYSA-N
-rxn:1:56337:35532,CCN1CCC(C(=O)Nc2ncc(Br)cc2-c2cn(CC3CC3c3ccc(C(=O)OC)cn3)nn2)CC1,HISOJVGMFACYRS-UHFFFAOYSA-N
-rxn:1:56570:33655,CCN1CCC(C(=O)Nc2cncc(-c3cn(CC4CC4c4cc(C(=O)OC)cnc4Cl)nn3)c2)CC1,SXHNORSQNVTUMA-UHFFFAOYSA-N
-rxn:1:56570:33976,CCN1CCC(C(=O)Nc2ccc(-c3cn(CC4CC4c4cc(C(=O)OC)cnc4Cl)nn3)nc2)CC1,XAARAIJPHQTYPL-UHFFFAOYSA-N
-rxn:1:56736:11979,CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H]2c1cn(CC2CC2c2c[nH]nc2-c2ccc(Cl)cc2)nn1,GMLFEQUVMLTFKK-ZNIKRAEXSA-N
-rxn:1:56737:11979,CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H]2c1cn(CC2CC2c2c[nH]nc2-c2ccc(F)cc2)nn1,AIWGBOIDCYTWRE-ZNIKRAEXSA-N
-rxn:1:57015:29914,CN1CC2(CCCN(Cc3ccncc3F)CCn3cc(cn3)C1=O)CCN(C(=O)c1cn(CCCc3sccc3Cl)nn1)CC2,QGMVOXLHHQTMLK-UHFFFAOYSA-N
-rxn:1:57015:30209,CN1CC2(CCCN(C(=O)C3CC(F)(F)C3)CCCCn3cc(cn3)C1=O)CCN(C(=O)c1cn(CCCc3sccc3Cl)nn1)CC2,JHMNVTGNNDVUEZ-UHFFFAOYSA-N
-rxn:1:57137:8620,CC(=O)NC1C(O)C(O)C(CO)OC1n1cc(C2(N(C)C)CCC(F)(F)CC2)nn1,XPEIYIPNVRELLV-UHFFFAOYSA-N
-rxn:1:58224:29898,O=C(O)c1nc(Cl)ccc1CCCn1cc(C(=O)N2CC[C@H]3C[C@@H]2C(=O)NCCCN(Cc2ccc(F)cn2)CCOc2ccccc23)nn1,SXIXYRQEKWLMEO-PWUYWRBVSA-N
-rxn:1:60057:30705,CCCC(=O)N1CCCn2cc(cn2)C(=O)N(C)CC2(CCC1)CCCN(C(=O)c1cn(Cc3c(F)cncc3Cl)nn1)C2,ZZRUFNHBPXXXTF-UHFFFAOYSA-N
-rxn:1:60331:39786,CC(C)(C1c2ccccc2OCC2=CNNN21)n1cc(COCC2(C#N)CCC2)nn1,XRTOEQBEPVVIRM-UHFFFAOYSA-N
-rxn:1:60331:9534,CC(C)(C1c2ccccc2OCC2=CNNN21)n1cc(COC(=O)N2CCC(c3nc4cc(F)ccc4[nH]3)CC2)nn1,OOCNPIRTKHNQLY-UHFFFAOYSA-N
-rxn:1:60982:15706,CCC(=O)N=c1sc2cccc(OC)c2n1Cc1cn(CCN2CCC(C(C)(F)F)CC2)nn1,HERPZDGLJLKGEF-UHFFFAOYSA-N
-rxn:1:61298:33767,CN1CCN(C)C(C(=O)Nc2ncc(Br)nc2-c2cn(C3CN(CCOc4ccc(F)cc4)C3)nn2)C1,KGQAZGAGOUZSAG-UHFFFAOYSA-N
-rxn:1:61470:16983,CN(C)CCn1ncc(-c2cn(Cc3ccc(C(=O)N4CCC(F)(F)CC4)s3)nn2)c1C1CCCCC1,JSVAXGREUUJFPU-UHFFFAOYSA-N
-rxn:1:61470:17644,CN(C)CCn1nc(-c2cn(Cc3ccc(C(=O)N4CCC(F)(F)CC4)s3)nn2)cc1C1CCCC1,YZKXBXITZYIXNN-UHFFFAOYSA-N
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-rxn:2:103637:110753,CCC(NC(c1cccc(OC)c1)C1CCCC1)C1CCN(c2ccc3c(c2)OCO3)C1,HODFYKYNNSXJHH-UHFFFAOYSA-N
-rxn:2:103637:79439,COc1cccc(C(NC2CCC(CN(C)C(C)(C)C)CC2)C2CCCC2)c1,ZILUZUJTTLWZGH-UHFFFAOYSA-N
-rxn:2:104110:160527,COC(CNC(c1ccc(-c2ccn(C3COC3)n2)cc1)C(C)C1CC1)C1CCN(C)C1,LEKBATBRPWBQLJ-UHFFFAOYSA-N
-rxn:2:104114:171582,CCCC(C(Nc1cccc(OCC2CCCO2)n1)c1ccc2c(c1)CCCC2)N1CCCC1,PBCQWKFWXIDITO-UHFFFAOYSA-N
-rxn:2:104200:149130,CCc1nc2cc(C(CCN3CCCCC3)NCC3CCN(c4ccccc4OC)CC3)ccc2[nH]1,XWTNGNDHQDTEBF-UHFFFAOYSA-N
-rxn:2:104599:109961,CCCC(NCC1(c2ccc(OC)cc2)CC(C)(C)C1)C1CCCN(C2CCCC2)C1,BJLHBSKPXGENSO-UHFFFAOYSA-N
-rxn:2:104799:142220,COc1ccc2c(c1)C(NC1c3ccccc3CCC1N1CCCOCC1)CC(C)(C)O2,VWRJLULZEPZHRE-UHFFFAOYSA-N
-rxn:2:104799:90991,CCC(C)(C)C(NC1c2ccccc2CCC1N1CCCOCC1)c1ccc(OC)cc1,OSXMEWZBRTZNAX-UHFFFAOYSA-N
-rxn:2:105166:114474,CCC(C)(CNC1c2ccccc2CC12CCCC2)OC1CCC(C)CC1,RFJIEWDKRGYSQG-UHFFFAOYSA-N
-rxn:2:105166:127577,CCC(C)(CNC1CC2(C1)CC(c1ccccc1)C2)OC1CCC(C)CC1,JORCEAVHGAFVOF-UHFFFAOYSA-N
-rxn:2:105647:147225,CCN1CCN(C(c2cccnc2)C(C)NC(C)c2cc(-c3ccnn3C3CCCC3)ccc2OC)CC1,MICGRKPJHRPAMT-UHFFFAOYSA-N
-rxn:2:106445:172833,CCCC(NCC1(N(C)C)CCN(CC)CC1)c1ccc(-c2cc(C)cnc2OC)cc1,YYDPFOBXUMOUKQ-UHFFFAOYSA-N
-rxn:2:107114:134221,CCC(Nc1ccc(C2CCN(C)CC2)cc1OC)c1cnc(N2CCN(C)CC2)cc1C,PEIKTMMEVWILKL-UHFFFAOYSA-N
-rxn:2:107594:147225,CCC(NC(C)c1cc(-c2ccnn2C2CCCC2)ccc1OC)C(c1cccnc1)N1CCOCC1,ZRMJCZRCLHBERG-UHFFFAOYSA-N
-rxn:2:107951:103605,CC(N[C@H]1CC[C@H](COCC2CC2)CC1)c1ccccc1N1CCC(C)(C)CC1,DWYFJDJHGQGMAJ-ZVKJZNSWSA-N
-rxn:2:108469:172373,CCCC(C(Nc1cccnc1N1CCC(C)(COC)CC1)c1ccc2ccccc2c1)N1CCCC1,IHRLKGSLYDLDKM-UHFFFAOYSA-N
-rxn:2:108912:169635,CC(NCC(C)(C)N(C)c1n[nH]c(=O)[nH]c1=O)c1cccc(C(F)(F)C(=N)SC2CCCC2)n1,XTWCXLMBAHHHPK-UHFFFAOYSA-N
-rxn:2:109339:69624,CCC(NCC1CC2(CCC(C)(C)CC2)C1)C1CCCN(Cc2ccccc2)C1,MEAZALSMZQPZOD-UHFFFAOYSA-N
-rxn:2:109800:127654,CCC(C(NC1CCN(OC)CC1)c1ccccc1)N1CCCOCC1,SGQZYMJVOYCTBE-UHFFFAOYSA-N
-rxn:2:109800:135524,CCC(C(N[C@H]1CC[C@@H](COC)CC1)c1ccccc1)N1CCCOCC1,ILPZDSLYPMUEKC-QNTGBWKDSA-N
-rxn:2:110615:140726,CCC(NC1CC2CCCCCN2c2ccccc21)C(C)Oc1ccc2c(c1)CCCC2,YEMCGTKDLPREQC-UHFFFAOYSA-N
-rxn:2:111645:145364,CCN1CCN(c2ccc(NC(CN3CCCCC3)c3ccc4[nH]c(C5CC5)nc4c3)cc2OC)CC1,NDKFBVLXXOPYEO-UHFFFAOYSA-N
-rxn:2:111665:152258,CCC(N[C@H](c1ccc(OC)cc1OC)C1CCCC1)c1cccc(-c2cnc(N3CCOCC3)nc2)c1,UOFWGHWVGCPXIA-TXDWVUBVSA-N
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-rxn:2:112215:155506,CCC(C(Nc1ccc(OCC2CCCO2)c2ccncc12)c1ccc2c(c1)CCC2)N1CCCC1,HXPHKQUSCIWCKJ-UHFFFAOYSA-N
-rxn:2:112309:112215,CCC(C(Nc1ccnc(OCC2CCCO2)c1)c1ccc2c(c1)CCC2)N1CCCC1,JCJRGQDGITYSAE-UHFFFAOYSA-N
-rxn:2:112507:104710,CCCC(NCCN1CCC2(CC1)CC(OC)CCO2)c1ccc2ncccc2c1,KENIQMNLECBWBJ-UHFFFAOYSA-N
-rxn:2:112507:142953,COC1CCOC2(CCN(CCNC3COc4cccc(-c5cnc6ccc(C)cc6c5)c43)CC2)C1,KWRMZQMXVWSMEM-UHFFFAOYSA-N
-rxn:2:112507:165331,CCC(NCCN1CCC2(CC1)CC(OC)CCO2)c1cccc(-c2ccnc(N3CCOCC3)c2)c1,ZNACBZUXONVCRS-UHFFFAOYSA-N
-rxn:2:112507:169415,CCc1nc2ccc(-c3ccc4c(c3)C(NCCN3CCC5(CC3)CC(OC)CCO5)CCC4)cc2[nH]1,OSWUSYZZCBHVLH-UHFFFAOYSA-N
-rxn:2:112507:169501,COC1CCOC2(CCN(CCNC(C)c3c(C)cc(-c4ccc5cccnc5c4)cc3C)CC2)C1,WWGCXZPEPYCXQW-UHFFFAOYSA-N
-rxn:2:112946:136990,CCC(Nc1cccc2c1CN(C1CCN3CCCC13)C2)c1ccccc1OCC1CCCCC1,NMAHUKIPOITFPJ-UHFFFAOYSA-N
-rxn:2:113160:109769,CCN1CCN(c2cccc(NC3c4ccccc4CC34CCOC(C)(C)C4)c2OC)CC1,NTWMSNZYBQUBEX-UHFFFAOYSA-N
-rxn:2:113970:171582,CCCC(C(Nc1noc2cccc(OCC3CC3)c12)c1ccc2c(c1)CCCC2)N1CCCC1,LSKDAPROWUTHSM-UHFFFAOYSA-N
-rxn:2:114798:147498,COCC1(NC(c2ccc(OC)cc2)C2CC2c2ccc3c(c2)OCO3)CCCCCC1,DDAAPOPMIBYHLZ-UHFFFAOYSA-N
-rxn:2:115389:112309,CCC(C(Nc1ccnc(OCC2CCCO2)c1)c1ccc2c(c1)CCCC2)N1CCCC1,OCISMQDWHNRPNK-UHFFFAOYSA-N
-rxn:2:115389:155506,CCC(C(Nc1ccc(OCC2CCCO2)c2ccncc12)c1ccc2c(c1)CCCC2)N1CCCC1,BGVMULKKXVAHQU-UHFFFAOYSA-N
-rxn:2:115504:107357,CCC(Nc1cc2c(cc1N1CCN(C)CC1)OCO2)c1ccc(N2CCCCCC2)nc1C,GKZPWFRQGMPFJA-UHFFFAOYSA-N
-rxn:2:115504:81090,CC(Nc1cc2c(cc1N1CCN(C)CC1)OCO2)c1ccc(N2CCN(C)CC2)s1,LZXGPJOJUVFWED-UHFFFAOYSA-N
-rxn:2:115633:142152,CCC(C)(CNC1c2ccccc2CC12CCOCC2)OC1CCCCC1,QBNVJRIUXYXCTN-UHFFFAOYSA-N
-rxn:2:115935:120331,CCCCCC(NCC1(N(C)C)CCc2ccccc2C1)C1=NCCCC1,XKBWORANRRHGCW-UHFFFAOYSA-N
-rxn:2:116115:123810,CCC(Nc1ccc(OC)cc1OCC1CCOCC1)c1cnc(N2CCOCC2)c(C)c1,FNITYEHTHFLIHW-UHFFFAOYSA-N
-rxn:2:116115:155181,CCC(Nc1ccc(OC)cc1OCC1CCOCC1)c1ccc(-c2cnc(N3CCCCC3)nc2)cc1,CIWNHNPECXXQDH-UHFFFAOYSA-N
-rxn:2:116115:74137,CCC(Nc1ccc(OC)cc1OCC1CCOCC1)c1ccc(N2CCOCC2)nc1,FRVJRKXWHREVQS-UHFFFAOYSA-N
-rxn:2:116760:157499,CO[C@H]1CC[Si](C)(C)CC[C@@H]1NC1c2cc(C)ccc2N=C2C1CCN2c1ccccc1,IQMNIQLTKWTJML-ACFJJBGXSA-N
-rxn:2:116804:122520,CCC[C@H]1CC[C@H](C2CCC(Nc3ccc(C4(OC)COC4)cc3)CC2)CC1,IOZIBDAXFYYLKC-FDNODPCQSA-N
-rxn:2:117603:123308,C=C=Cc1ccc(C(NCC2(OC)CCCOCC2)C(C)C2CC2)cc1,VGLCVSNXOUXPRV-UHFFFAOYSA-N
-rxn:2:118846:170459,COCCC1(NC2CCC(C)(C)c3ccc(-c4cccc5c4OCC5)cc32)CCOCC1,ZQRAYWMPTSVMAL-UHFFFAOYSA-N
-rxn:2:119490:169645,CCC1CCCN1C1CCCCCC1NC(C)c1ccc(OC)c(-c2cnc3ccc(C)cc3c2)c1,SQIPJKNNKZUOHI-UHFFFAOYSA-N
-rxn:2:119490:170127,CCC1CCCN1C1CCCCCC1NC(C)c1ccc(OC)c(-c2cc(C)cc3cccnc23)c1,MKEABOZIYRRPSH-UHFFFAOYSA-N
-rxn:2:119862:165449,CCC(NC1CCC(CN2CCC(C)(C)CC2)CC1)c1cccc(-c2ccccc2OC)c1,HYUSIQVGOYLQPI-UHFFFAOYSA-N
-rxn:2:120197:141610,CC(NCC1(C(C2CCOCC2)N(C)C)COC1)c1ccc(S(=O)(=O)[O-])cc1,IAFRGRDZUIPHMT-UHFFFAOYSA-M
-rxn:2:120902:160527,CCON1CCC(NC(c2ccc(-c3ccn(C4COC4)n3)cc2)C(C)C2CC2)CC1,MAOFSOZFANKKEA-UHFFFAOYSA-N
-rxn:2:121002:162687,COc1ccc2ccccc2c1C(CN1CCC(C)CC1)NCC1CC(N(C)C)CC(C)(C)C1,HKKKSIKCPVUIEE-UHFFFAOYSA-N
-rxn:2:121338:104349,CCN1CCC(Oc2ccc(C(C)NCCN3CCC(c4nc5ncccc5o4)CC3)cc2OC)CC1,TXIODZBDWROUJT-UHFFFAOYSA-N
-rxn:2:121410:75013,CCCCN1CCCCC1c1ccc(NC(C)c2cccc(C34CCN(C)CC3C4)c2)nc1,CYPAZMNIDCJRDH-UHFFFAOYSA-N
-rxn:2:123774:101165,CCC[C@H]1CC[C@H](c2ccc(C(C)NC3(CCC4CCCC4)CCN(C)CC3)cc2)CC1,GRQVSAGQYVUVEG-QCZIXAOISA-N
-rxn:2:123774:145815,CCC(NC1(CCC2CCCC2)CCN(C)CC1)c1ccc(-c2cnn(C)c2)cc1C,JSZWJIJZFOVTOB-UHFFFAOYSA-N
-rxn:2:124663:170234,CCCC(C(NCC1CCN(c2nccc(OC)n2)CC1)c1cccc2ccccc12)N1CCCC1,XPADOWHDSXQPMJ-UHFFFAOYSA-N
-rxn:2:124727:112215,CCC(C(Nc1c(C(C)C)c2c([nH]c1=O)CCN(C)C2)c1ccc2c(c1)CCC2)N1CCCC1,PHBMLUMRHIVYOM-UHFFFAOYSA-N
-rxn:2:124857:170973,COCc1ccc(-c2ccc3c(c2)C(Nc2ccc(CN(C)C4CCCN(C)C4)cn2)CC(C)(C)O3)cc1,DFQUMXNKPFUWNI-UHFFFAOYSA-N
-rxn:2:125092:144363,CC(CC(c1ccccn1)N1CCN(C)CC1)NC(c1ccc2[nH]c(=O)[nH]c2c1)C1CCCCO1,USOKAMCFGPZCOF-UHFFFAOYSA-N
-rxn:2:125286:145705,CC(C)C(NC1CCC(C(C2CCC2)N(C)C)CC1)c1ccc(-c2cnc3[nH]c(=O)[nH]c3c2)cc1,GHMQFGFWVOTZAE-UHFFFAOYSA-N
-rxn:2:125902:126170,CCCC(C(Nc1ccc2c(c1)CN(C)CC21CC1)c1ccc2c(c1)CCC2)N1CCCC1,PUQJRMVRNKHWPE-UHFFFAOYSA-N
-rxn:2:125902:171582,CCCC(C(Nc1ccc2c(c1)CN(C)CC21CC1)c1ccc2c(c1)CCCC2)N1CCCC1,XSIHZCYCCBUEQF-UHFFFAOYSA-N
-rxn:2:126170:136949,CCCC(C(Nc1cnc(OCC2CCCC2)s1)c1ccc2c(c1)CCC2)N1CCCC1,BXJHLMNIAUPIEM-UHFFFAOYSA-N
-rxn:2:126188:148130,COC1CC(C)(C)CC(C)(CNC2CCN([C@@H]3Cc4cccc5cccc3c45)CC2)C1,INTWDWDDGQHWAP-XSGAYFKKSA-N
-rxn:2:126188:81490,COC1CC(C)(C)CC(C)(CNC(c2ccc(C(C)C)cc2)C2CC2)C1,NUFYEAGDBZHYJA-UHFFFAOYSA-N
-rxn:2:126526:109961,CCCC(NC(c1cccc(OC)c1)c1cccc(OC)c1)C1CCCN(C2CCCC2)C1,HWXFLOFPPJYHQF-UHFFFAOYSA-N
-rxn:2:127988:152258,CCC(N[C@@H](c1cc(OC)ccc1OC)C1CCCCC1)c1cccc(-c2cnc(N3CCOCC3)nc2)c1,IZLYLMSAGZYZAE-ZGVDRVBQSA-N
-rxn:2:128281:141576,CCC(C)N1CC(NC(CN2CCCC2)c2ccccc2OC)CC(c2cccc(C)c2)C1,BARCKHYPZIPXII-UHFFFAOYSA-N
-rxn:2:128428:168837,Cc1cc2c(cc1-c1cnn(S(C)(=O)=O)c1)C(NC1CO[C@H]3CN(C)C[C@@H]3OC1)CC2,FJHNKQYUAQOFKA-QIFDKBNDSA-N
-rxn:2:129456:129606,COCC(Cc1ccc2c(c1)OCCO2)NC1CCN2CCc3cc(OC)ccc3C2C1,XREQLHJPFIVKRM-UHFFFAOYSA-N
-rxn:2:131357:137213,CCC(Nc1ccc(C2CCN(C)CC2)nc1OC(C)C)c1ccc(N2CCN(C)CC2)cc1,ALMNOWXYZIVIOD-UHFFFAOYSA-N
-rxn:2:131983:155490,COc1ccc2ccccc2c1C(CN1CCCCC1)NCC(C)(C)c1nc(C2CCCC2)c[nH]1,YXANHVUPLCMKKP-UHFFFAOYSA-N
-rxn:2:132025:110753,CCC(Nc1ccc(OC)cc1CN1CCCCCC1)C1CCN(c2ccc3c(c2)OCO3)C1,OMIKQBRZHMUEPI-UHFFFAOYSA-N
-rxn:2:132135:109769,CCC1CCN(Cc2cc(NC3c4ccccc4CC34CCOC(C)(C)C4)ccc2OC)CC1,SRDSBKMPQMCPHV-UHFFFAOYSA-N
-rxn:2:132135:157976,CCC1CCN(Cc2cc(NC3CCC(c4ccc(-c5ccn(C6COC6)n5)cc4)CC3)ccc2OC)CC1,FUDKBVCPISOJFE-UHFFFAOYSA-N
-rxn:2:132288:172078,CCCOC1CCCN(C2CCCCC2NC(c2ccc3c(c2)CCCC3)c2ccccc2C)C1,XQOZNOHKSKUJIF-UHFFFAOYSA-N
-rxn:2:132456:112946,CCC(NC1CC(C)(C)CCc2ccc(C)cc21)c1ccccc1OCC1CCCCC1,OIBKSPUKPXBLKC-UHFFFAOYSA-N
-rxn:2:133266:162970,CCCC(NCC1(N2CCOCC2CC)CCN(C)CC1)c1ccc(-c2cnc3[nH]c(=O)oc3c2)cc1,KQXTYVXWVKERHV-UHFFFAOYSA-N
-rxn:2:134254:121250,CCCCN1CCC(NC2CCC(CN(C)C)(c3cccnc3)CC2)CC1,UZAGMVWNGMMOSB-UHFFFAOYSA-N
-rxn:2:134489:171582,CCCC(C(NCC1CCCN(c2ccc(OC)cc2)C1(C)C)c1ccc2c(c1)CCCC2)N1CCCC1,REVFCCOJDHUQBX-UHFFFAOYSA-N
-rxn:2:134652:116009,CCC(C)c1ccc(C(Nc2ccc(OC)c(CN3CCCCC3)c2)C2CCOC2)cc1,PXALUGFHBJXJMT-UHFFFAOYSA-N
-rxn:2:135141:72475,CC[C@H]1CC[C@H](C2CCC(Nc3cccc4c3CCN4C(C)C)CC2)CC1,HPQMPNXGGJNNJM-IJDVVPKISA-N
-rxn:2:136949:171582,CCCC(C(Nc1cnc(OCC2CCCC2)s1)c1ccc2c(c1)CCCC2)N1CCCC1,AZWMQGIRZHQKCJ-UHFFFAOYSA-N
-rxn:2:140012:144920,COC1CCOC2(CCN(CCCNC(C)c3c(-c4cccc(OC(C)C)c4)cn[nH]c3=O)C2)C1,HZSJZLCDYZTOCH-UHFFFAOYSA-N
-rxn:2:140012:162350,CCc1ncccc1-c1ccc2c(c1)C(NCCCN1CCC3(CC(OC)CCO3)C1)CCC2,TXFPFHIPGSWBMD-UHFFFAOYSA-N
-rxn:2:140012:172069,CCCC(NCCCN1CCC2(CC(OC)CCO2)C1)c1ccc(-c2nccc3ccccc23)cc1,DIECPUIVTSVMQM-UHFFFAOYSA-N
-rxn:2:140370:110753,CCC(Nc1cc(N2CCCCC2)ccc1OC)C1CCN(c2ccc3c(c2)OCO3)C1,ZORMSERXDFCQPP-UHFFFAOYSA-N
-rxn:2:141155:134417,CCC(Nc1ccc2c(n1)N(CCCN(C)C)CCO2)c1ccc(N2CCOCC2)nc1C,MGPDNNCXELYLRU-UHFFFAOYSA-N
-rxn:2:141247:134221,CCC(Nc1cccc(N2CCC(OC)CC2)c1OC)c1cnc(N2CCN(C)CC2)cc1C,KHFYPWIUTSJTGA-UHFFFAOYSA-N
-rxn:2:146475:109961,CCCC(NCc1cccc(-c2ccc(OC)cc2)c1C)C1CCCN(C2CCCC2)C1,OARWHPWMQIBPGH-UHFFFAOYSA-N
-rxn:2:149443:96642,CCCC(NCC1(c2nccc3ccc(OC)cc23)COC1)C1CCN(C2CC2)CC1,IQQUXCMSQVFKJD-UHFFFAOYSA-N
-rxn:2:152475:94800,CCC(NC(C)c1ccc(OC)c(OC(C)C2CCN(C)CC2)c1)c1ncc(-c2ccc(C)cc2C)[nH]1,NIJUFEJACUSHAK-UHFFFAOYSA-N
-rxn:2:164034:171582,CCCC(C(Nc1noc2cccc(OCC3CCCO3)c12)c1ccc2c(c1)CCCC2)N1CCCC1,RZSPSMHMMIPDLJ-UHFFFAOYSA-N
-rxn:2:65905:68918,COc1cccc2c1C(N[C@H](c1cccc3c1OCCO3)C1CCCCC1)CC(C)(C)O2,LSAICLZIQANIEJ-KUXBLMNESA-N
-rxn:2:66318:149311,CN(C)C(CNC1CCN(CC2(F)CCSCC2)CC1)c1ccc2c(c1)ncn2C,ULSVPVLDXQYLLS-UHFFFAOYSA-N
-rxn:2:67359:141864,CCCC(NCC(C)N1CCN(c2ccc(OC)cc2)CC1)c1ccc2c(c1)CCCC2,JTRPDOSDPPHISL-UHFFFAOYSA-N
-rxn:2:67409:126600,Cc1ccc(C(C)NCCC2(N3CCN(C)CC3)CSC2)c(OS(=O)(=O)F)c1,OREZOVXXNBLXIF-UHFFFAOYSA-N
-rxn:2:68241:141610,CC(NCC(C1CC1)N(C)C1CCOCC1)c1ccc(S(=O)(=O)[O-])cc1,MSRAODYOMNBNGV-UHFFFAOYSA-M
-rxn:2:68372:115829,CCC(NC(CCC1CCCC1)c1ccc2c(c1)CCC2)c1cccc(OC2CCCC2)c1,VDQFJEKVGOOWGW-UHFFFAOYSA-N
-rxn:2:68918:104799,COc1cccc2c1C(NC1c3ccccc3CCC1N1CCCOCC1)CC(C)(C)O2,YWNQYIDQWVXHFT-UHFFFAOYSA-N
-rxn:2:68918:109936,COc1cccc2c1C(NC(c1ccc3c(c1)COC3)C1CCCCCC1)CC(C)(C)O2,ZXZAPKHXXSMCFA-UHFFFAOYSA-N
-rxn:2:68918:112631,COc1cccc2c1C(NCC(c1ccc3c(c1)CCO3)N1CCCCC1)CC(C)(C)O2,NKONZDIZBUPWSX-UHFFFAOYSA-N
-rxn:2:68918:124267,COc1cccc2c1C(NC(c1ccc3c(c1)OCCCO3)C1CCCC1)CC(C)(C)O2,PZVUBSHMCRZOPN-UHFFFAOYSA-N
-rxn:2:68918:131174,COc1cccc2c1C(NC1(c3ccc(C4CCCC4)cc3)CCOCC1)CC(C)(C)O2,SODBCICCXKCBJD-UHFFFAOYSA-N
-rxn:2:68918:81872,COc1cccc2c1C(NC1(c3ccc4c(c3)OCCCO4)CCOCC1)CC(C)(C)O2,NUBJEWGFIARBLZ-UHFFFAOYSA-N
-rxn:2:68918:87437,COc1cccc2c1C(Nc1ccc3c(c1)CCN(C1CCOCC1)CC3)CC(C)(C)O2,YLJCIECAEUOHJN-UHFFFAOYSA-N
-rxn:2:69280:89020,CCC(Cc1ccc2c(c1)OCCCO2)NC1CCN([C@H](C)c2ccccc2OC)CC1,GAMJCPYYNVUWFO-PSDZMVHGSA-N
-rxn:2:69356:112215,CCC(C(Nc1cccc2c1CCN(C(C)CCOC)C2)c1ccc2c(c1)CCC2)N1CCCC1,QLJYYNQFMOTTBA-UHFFFAOYSA-N
-rxn:2:69566:148118,CN(C)C1(CNC2CCC(n3c(=O)[nH]c4ccccc43)CC2)CN2CCC1CC2,NEXPYAPWPVHHHW-UHFFFAOYSA-N
-rxn:2:69889:111535,CCC(CC)CONC(c1ccccc1)C(C1CCCCC1)N1CCCC1,CCAMFJZTUXGUBT-UHFFFAOYSA-N
-rxn:2:70261:142218,CCC(C)CN(C)CC1CC(C)CCC1Nc1cc([C@H]2C[C@@H]2F)[nH]n1,XNZUJGJMWPVFOW-WRECPOHLSA-N
-rxn:2:70325:171582,CCCC(C(NC1CCN(c2ccccc2OC)CC1)c1ccc2c(c1)CCCC2)N1CCCC1,XLZYKHOHOFZJCE-UHFFFAOYSA-N
-rxn:2:70325:83490,CCCC(C(NC1CCN(c2ccccc2OC)CC1)c1ccc2c(c1)CCO2)N1CCCC1,WRUGBXBCZSIQPP-UHFFFAOYSA-N
-rxn:2:70629:172373,CCCC(C(Nc1oc2c(c1C1CCCC1)C(N(C)C)CCC2)c1ccc2ccccc2c1)N1CCCC1,KZJMGMYKQWUPDJ-UHFFFAOYSA-N
-rxn:2:71443:147524,CCc1nc2cc(C(CCN3CCCC3)NCC3(C4c5ccc(OC)cc5CCN4C)CC3)ccc2[nH]1,PIYBQSAQGYOUBX-UHFFFAOYSA-N
-rxn:2:71988:112215,CCC(C(Nc1cccnc1OCC1CCN(C)CC1)c1ccc2c(c1)CCC2)N1CCCC1,GKXIGBKVAZLTLD-UHFFFAOYSA-N
-rxn:2:71988:115389,CCC(C(Nc1cccnc1OCC1CCN(C)CC1)c1ccc2c(c1)CCCC2)N1CCCC1,UMFAXAYJBSTVNH-UHFFFAOYSA-N
-rxn:2:72475:105548,CC[C@H]1CC[C@H](C2CCC(NCC(C)(Cc3ccccc3)OC)CC2)CC1,OPKIBWIOQFJTCJ-MMDGYNLISA-N
-rxn:2:72475:84250,CC[C@H]1CC[C@H](C2CCC(Nc3cccc4c3ccn4OC(C)(C)C)CC2)CC1,MTFNNDVLZXYBOP-IJDVVPKISA-N
-rxn:2:72495:163343,CCN1CCC(CN2Cc3ccc(NC(C)c4ccc(OC)c(-c5cnc(N6CCCC6)nc5)c4)cc3C2)C1,LDYHKBWZLDOQFC-UHFFFAOYSA-N
-rxn:2:72687:105145,CCC(Nc1ccc(N2CCC(COC)CC2)nc1)c1ccc(N2CCC3(CC2)CC3)cc1,UUGZSBREVJRCRX-UHFFFAOYSA-N
-rxn:2:74129:82725,CCCCC(NC1CCC(C(C2CCCCC2)N(C)C)CC1)c1ccc2c(c1)CCCC2,CHNHHZJKAAYANQ-UHFFFAOYSA-N
-rxn:2:74134:166529,CC(NCC(C1CCOC1)N(C)C1CCCN(C)C1)c1ccc(-c2ccc3ccc(=O)[nH]c3c2)cn1,PCOJBEVLYGHNKG-UHFFFAOYSA-N
-rxn:2:74201:109961,CCCC(NC(CN1CCCCC1)c1ccc(OC)cc1)C1CCCN(C2CCCC2)C1,PKAPQPVNIRFHMQ-UHFFFAOYSA-N
-rxn:2:74853:90008,CCCN(C)CC(NC1CC2(CCN(C3CCCC3)CC2)C1)c1ccc2c(c1)CCC2,NSYMUKRHJAIYCC-UHFFFAOYSA-N
-rxn:2:74888:142919,CC(NCC(C1CCOC1)N1CCC(N(C)C)CC1)c1ccc(-c2ccc3oc(=O)[nH]c3c2)cn1,FRCXGTQVADNUAT-UHFFFAOYSA-N
-rxn:2:74888:143934,CC(NCC(C1CCOC1)N1CCC(N(C)C)CC1)c1ccccc1-c1ccc2[nH]c(=O)[nH]c2c1,JWJJPZAFDPZUPW-UHFFFAOYSA-N
-rxn:2:74888:162543,CC(NCC(C1CCOC1)N1CCC(N(C)C)CC1)c1sccc1-c1cccc2c(=O)[nH][nH]c12,WZFQOVZWYHAFAV-UHFFFAOYSA-N
-rxn:2:74888:163067,CC(C)C(NCC(C1CCOC1)N1CCC(N(C)C)CC1)c1ccc(-c2nc3ccsc3c(=O)[nH]2)cc1,JQEXWMXUDGSNBK-UHFFFAOYSA-N
-rxn:2:74888:168335,CC(NCC(C1CCOC1)N1CCC(N(C)C)CC1)c1cccc(-c2ccc3[nH]c(=O)[nH]c3c2)c1,LOCCWGVPHNSZMM-UHFFFAOYSA-N
-rxn:2:74888:169538,CCC(NCC(C1CCOC1)N1CCC(N(C)C)CC1)c1ccc(-c2cc3cc(OC)ccc3[nH]2)cc1,WRMLSWNXAXTLGB-UHFFFAOYSA-N
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-rxn:2:76179:109800,CCC(C(NCCC[C@H]1CC[C@@H](OC)CC1)c1ccccc1)N1CCCOCC1,YYIVIZISPPMTJB-IHHNXAOZSA-N
-rxn:2:76179:170273,CCC(NCCC[C@H]1CC[C@@H](OC)CC1)c1cccc(-c2ccc(N3CCCCC3)nc2)c1,BWHAQOYGDXHUTC-NQWSXJPPSA-N
-rxn:2:76179:171592,CCC(NCCC[C@H]1CC[C@@H](OC)CC1)c1ccc(-c2ccc(N3CCCCC3)nc2)cc1,YBTIGDIIMKBJBJ-NQWSXJPPSA-N
-rxn:2:76179:172083,CO[C@H]1CC[C@@H](CCCNC(c2ccccc2)c2ccc(N3CCCCCC3)nc2C)CC1,IZJPDYXDIXHYKQ-BHEHOSCNSA-N
-rxn:2:76294:147889,CCC(NC(COC)CN1CCOCC1)c1ccc(-c2ccc(N3CCOCC3)cc2)cc1,LRFMBMHRIICNGU-UHFFFAOYSA-N
-rxn:2:76294:155181,CCC(NC(COC)CN1CCOCC1)c1ccc(-c2cnc(N3CCCCC3)nc2)cc1,KWPGVWUODSMZFM-UHFFFAOYSA-N
-rxn:2:76532:162350,CCc1ncccc1-c1ccc2c(c1)C(NCCCN1CCC3(CC1)CC(OC)CCO3)CCC2,ZXBIOHKPBYJZBM-UHFFFAOYSA-N
-rxn:2:77093:106168,CCC1CC(C(NC(C)c2ccccc2OC2(C)CCN(C)CC2)c2ccnn2C)C1,NINZCOTUPKDSEX-UHFFFAOYSA-N
-rxn:2:77093:171112,CCCC(NC(C)c1ccccc1OC1(C)CCN(C)CC1)c1ccc(-c2cnn(C3CCCC3)c2)cc1,MKKSCEXIFQIAKS-UHFFFAOYSA-N
-rxn:2:77613:84079,COCC(NC1CCC2(CCc3ccccc3O2)CC1)c1ccc2c(c1)CCC(C)(C)O2,XXRQSVHJLVRYOD-UHFFFAOYSA-N
-rxn:2:77613:85880,COCC(NC1c2ccccc2N(C2CCCC2)C12CC2)c1ccc2c(c1)CCC(C)(C)O2,UXCITCVEKHXYSS-UHFFFAOYSA-N
-rxn:2:77968:142218,CCC(C)CN(C)CC1CC(C)CCC1Nc1cc([C@@H]2C[C@@H]2F)[nH]n1,XNZUJGJMWPVFOW-SBZGPEHISA-N
-rxn:2:77990:84594,CN(C1CCC(NC(C2CCC2)C2CCC2)CC1)C(C)(C)C,OEHWERZHLYLEKX-UHFFFAOYSA-N
-rxn:2:78142:160119,CCc1ccc(OC)c(C(NC2CCCc3c(-c4ccn(C5COC5)n4)cccc32)C2CCCN2C)c1,MVQAAEJANOGPPR-UHFFFAOYSA-N
-rxn:2:78368:126170,CCCC(C(NC(C)c1cccc2c1CCCC2)c1ccc2c(c1)CCC2)N1CCCC1,KMPFSWYSROSFIA-UHFFFAOYSA-N
-rxn:2:78905:157613,CCCC(NC1CCC(N(C)CC2CCN(C)CC2)CC1)c1ccc2c3c(cccc13)CC2,YFZWOULJNAMZLG-UHFFFAOYSA-N
-rxn:2:79124:87496,CCC(NCC1(S(=O)(=O)C2CCCC2)COC1)c1cccc(S(=O)(=O)F)c1,XNASJXWLLRARJH-UHFFFAOYSA-N
-rxn:2:79183:105145,CCC(Nc1ccc(OC)c(C2CCN(C3CC3)CC2)c1)c1ccc(N2CCC3(CC2)CC3)cc1,MQYLHLUWWFPKKJ-UHFFFAOYSA-N
-rxn:2:79527:147524,CCc1nc2cc(C(CCN3CCCC3)NC3CCCN(Cc4ccccc4OC)C3)ccc2[nH]1,LUTVLSQKFGQXGG-UHFFFAOYSA-N
-rxn:2:79662:112215,CCC(C(Nc1ncccc1OCC1CCOC1)c1ccc2c(c1)CCC2)N1CCCC1,KYEVONMARYXNHB-UHFFFAOYSA-N
-rxn:2:79800:75013,CC(NCCS(=O)(=O)N=S(C)(C)=O)c1cccc(C23CCN(C)CC2C3)c1,VVZCQAZIGRXPMF-UHFFFAOYSA-N
-rxn:2:80192:125465,CCCC(NCN(C)Cc1ccc2c(c1)CCCS2)C1CCCN(CC2CC2)C1,BTNXGNIBTYKPKV-UHFFFAOYSA-N
-rxn:2:80618:127163,CCC(C)c1ccc(C(C#CN2CCCC2)N[C@H]2CC[C@H](OC)CC2)cc1,FUBPRUYRVVKCLJ-ISLQSBNYSA-N
-rxn:2:80618:96499,CCC(C)c1ccc(C(C#CN2CCCC2)N[C@H]2CC[C@@H](OC)CC2)cc1,FUBPRUYRVVKCLJ-ZPKAHVHTSA-N
-rxn:2:81434:171582,CCCC(C(Nc1cnc(OCC2CCCO2)s1)c1ccc2c(c1)CCCC2)N1CCCC1,JAQRXPPLVNHPEC-UHFFFAOYSA-N
-rxn:2:81526:168176,COc1ccc2[nH]c(-c3ncccc3C(C)NCC(C)(C)C3(C4CCN(C)CC4)COC3)cc2c1,JJVCMCXNHJHWPD-UHFFFAOYSA-N
-rxn:2:81627:134540,CCC(C(Nc1ccc2c(c1)CN(C1CCCCC1)CC2)c1ccc(OC)cc1)N1CCCC1,GPYAKSPXGXIYKB-UHFFFAOYSA-N
-rxn:2:81783:171582,CCCC(C(NC1CCN(c2cccc(OC)c2)CC1)c1ccc2c(c1)CCCC2)N1CCCC1,PKCAEXSSARYJSK-UHFFFAOYSA-N
-rxn:2:82338:110753,CCC(NCC1CCN(Cc2ccccc2OC)CC1)C1CCN(c2ccc3c(c2)OCO3)C1,RHCFHDRBQHXOPJ-UHFFFAOYSA-N
-rxn:2:82725:138984,CCCCC(NC1CCC(N(C)C2CCC2)CC1)c1ccc2c(c1)CCCC2,JBYUUUKBJSLUPA-UHFFFAOYSA-N
-rxn:2:82750:135871,CC(NC1CCC(N2CCCCCC2)CC1)c1ccccc1C(C)(C)C,SLGIFHZXBRWWRQ-UHFFFAOYSA-N
-rxn:2:82920:142218,CCC(C)CN(C)CC1CC(C)CCC1Nc1cc([C@@H]2C[C@H]2F)[nH]n1,XNZUJGJMWPVFOW-CKMBUZLOSA-N
-rxn:2:83028:103141,CC(CN1CCC(N(C)C)CC1)NC(C)c1ccc(C#CC2CC2)s1,ZGDIHXOPAIWOPN-UHFFFAOYSA-N
-rxn:2:83149:142218,CCC(C)CN(C)CC1CC(C)CCC1Nc1cc([C@H]2C[C@H]2F)[nH]n1,XNZUJGJMWPVFOW-PVGHXWSTSA-N
-rxn:2:83490:121346,CCCC(C(NC1CCN(Cc2ccccc2OC)CC1)c1ccc2c(c1)CCO2)N1CCCC1,HXAKCPRPQUOLGN-UHFFFAOYSA-N
-rxn:2:83925:134417,CCC(NCc1ccc(N2CCC(N(C)C)CC2)nc1)c1ccc(N2CCOCC2)nc1C,AJSNZLNSBXGMKU-UHFFFAOYSA-N
-rxn:2:84353:104349,CCN1CCC(Oc2ccc(C(C)Nc3cc(N4CCSCC4)ccn3)cc2OC)CC1,GDVLQQMQQUPBFG-UHFFFAOYSA-N
-rxn:2:84594:105551,CN(C1CCC(NCC(C2CC2)C2CC2)CC1)C(C)(C)C,WSMLHGYPKFKQJW-UHFFFAOYSA-N
-rxn:2:84594:132806,CN(C1CCC(NC(C2CCC2)C2CC2)CC1)C(C)(C)C,KTXPIGMWYVEJDI-UHFFFAOYSA-N
-rxn:2:84594:140353,CN(C1CCC(NC(C2CC2)C2CC2)CC1)C(C)(C)C,HOTIUDVPTKRJRK-UHFFFAOYSA-N
-rxn:2:84946:91160,CN(C)CCN(C)C1CCC(NCc2ccc(OS(=O)(=O)F)cc2)CC1,NUEMLZGUTCRBAL-UHFFFAOYSA-N
-rxn:2:85031:125690,CCOCC(C)N1CCC(NC(c2ccccc2C2CC2)C2(C)CC2)CC1,IOHKGMPDVGLYBT-UHFFFAOYSA-N
-rxn:2:85115:99547,CCC(NC1CCC(COS(=O)(=O)CC)C1)C(c1ccccn1)N1CCN(C)CC1,ZFHFRKRNQGOMHK-UHFFFAOYSA-N
-rxn:2:85183:94411,CC1CC(C(C)(C)C(C)C)CCC1Nc1cncc(OCCN(C)C)n1,HPKGCCNSBUQTSU-UHFFFAOYSA-N
-rxn:2:85215:149407,CC(CN1CCN(C)CC1)C(NC(CC1=NCCO1)c1ccc2[nH]c(=O)[nH]c2c1)c1ccccc1,FFBXHJBYWZYSFU-UHFFFAOYSA-N
-rxn:2:85546:116804,CCC[C@H]1CC[C@H](C2CCC(Nc3ccc(C4(OC)CC4)cc3)CC2)CC1,WLDSYAHJRYCGQV-FDNODPCQSA-N
-rxn:2:85877:171582,CCCC(C(Nc1ccc2c(c1)C1(CC1)CN(C)C2)c1ccc2c(c1)CCCC2)N1CCCC1,BOFKADGRIAOMHJ-UHFFFAOYSA-N
-rxn:2:86157:171582,CCCC(C(Nc1ccccc1OCC1CCCCC1)c1ccc2c(c1)CCCC2)N1CCCC1,XIBWPHHRPNZMPK-UHFFFAOYSA-N
-rxn:2:86191:147524,CCc1nc2cc(C(CCN3CCCC3)Nc3cnc(N4CCN(C)CC4)cc3OC)ccc2[nH]1,NVMYARNFYBLDNS-UHFFFAOYSA-N
-rxn:2:86649:125465,CCCC(N[C@H](c1ccc2c(c1)CCO2)C1CCCCC1)C1CCCN(CC2CC2)C1,UYUOFDCDKPZRCG-ZRZZZMTFSA-N
-rxn:2:87437:96500,CC(Nc1ccc2c(c1)CCN(C1CCOCC1)CC2)c1cnccc1OCCC1CCCCC1,LDFSDSAKBCGNRP-UHFFFAOYSA-N
-rxn:2:87906:170234,CCCC(C(NC1CCC(N2CC[C@H](OC)C2)CC1)c1cccc2ccccc12)N1CCCC1,GHJYWCHDVQWIDE-ZXHKKLKTSA-N
-rxn:2:88287:172373,CCCC(C(NC[C@@]12CCCN1C[C@@H](OC)C2)c1ccc2ccccc2c1)N1CCCC1,FYVNNDHTZRZVHD-PDSTXASQSA-N
-rxn:2:88607:145160,Cc1cc2c(cc1-c1ccc3[nH]c(=O)[nH]c3c1)C(NCC1(N(C)C)CCN(C3CCCCCC3)C1)CC2,IVIWHFSQBLUKAL-UHFFFAOYSA-N
-rxn:2:88811:171582,CCCC(C(Nc1ccccc1OCC1CCCC1)c1ccc2c(c1)CCCC2)N1CCCC1,PQKBEDDPDBXILT-UHFFFAOYSA-N
-rxn:2:89481:95207,COC1CCN(c2ccc(NC(CN(C)C3CC3)c3c(C)cc(C)cc3C)cc2C)CC1,ZRZLBRUDRIPOPG-UHFFFAOYSA-N
-rxn:2:90008:139398,CCCN(C)CC(NC1CC2(CCN(C3CCC3)CC2)C1)c1ccc2c(c1)CCC2,WVIWJHWBZHCHOC-UHFFFAOYSA-N
-rxn:2:90858:134705,COCC(C)(Cc1cccc2ccccc12)NC1CCC2(CCCC(C)(C)O2)CC1,WDCJUJDONGCKFW-UHFFFAOYSA-N
-rxn:2:91135:112215,CCC(C(Nc1ncccc1OCC1CC2(CC2)C1)c1ccc2c(c1)CCC2)N1CCCC1,SZTVJPWQRUDLFT-UHFFFAOYSA-N
-rxn:2:91135:115389,CCC(C(Nc1ncccc1OCC1CC2(CC2)C1)c1ccc2c(c1)CCCC2)N1CCCC1,INKQSYQBNNZZHF-UHFFFAOYSA-N
-rxn:2:91241:140271,CCC(Nc1ccc(OCCC(C)C)nn1)C1CCCN(CC(C)C)C1,VAQXEHPAHRUHBA-UHFFFAOYSA-N
-rxn:2:91379:148214,COCCn1nc(C)c(-c2ccc3c(c2)CCC(Nc2ccccc2N2CCC(N(C)C)CC2)C3)c1C,DXHPEJVTMYSTLZ-UHFFFAOYSA-N
-rxn:2:91616:105166,CCC(C)(CNC1c2ccccc2CCC12CC2)OC1CCC(C)CC1,VIAAXYGZWQXUNC-UHFFFAOYSA-N
-rxn:2:92384:79439,CC(NC1CCC(CN(C)C(C)(C)C)CC1)C1CCN(Cc2ccccc2)CC1,LKTCPQPDACBBKD-UHFFFAOYSA-N
-rxn:2:92613:105166,CCC(C)(CNC1c2ccccc2CC12CCC2)OC1CCC(C)CC1,INKMHQQZQZSRFB-UHFFFAOYSA-N
-rxn:2:92636:124420,CCN(CC(NCC1(S(=O)(=O)CC)CC2(CC2)C1)c1cccs1)C1CC1,USDKACWQZSCPKU-UHFFFAOYSA-N
-rxn:2:93705:160422,CN(C)CC1CCN(c2ccnc(CNC3CCN(c4ccc(S(C)(=O)=O)cc4)CC3)c2)CC1,VXHKDFAYOIIHCN-UHFFFAOYSA-N
-rxn:2:93780:112215,CCC(C(Nc1ccc(OCCN2CCC(C)CC2)nc1)c1ccc2c(c1)CCC2)N1CCCC1,QANDPGAWGLUPMV-UHFFFAOYSA-N
-rxn:2:93780:115389,CCC(C(Nc1ccc(OCCN2CCC(C)CC2)nc1)c1ccc2c(c1)CCCC2)N1CCCC1,OGZDPZQGXSYRAD-UHFFFAOYSA-N
-rxn:2:93932:135549,CC1(O[Si](C)(C)C(C)(C)C)CC(NC(c2ccccn2)C2CCCC2)C1,GKAQKHJLETZNTQ-UHFFFAOYSA-N
-rxn:2:94050:69889,CCC[C@@H](NC(c1ccccc1)C(C1CCCCC1)N1CCCC1)c1ccc(OC)c(C)c1,IYWOTYOBWRUCRZ-WWUHRCHBSA-N
-rxn:2:95103:172726,CCC(NC1CCCc2c(-c3cc4cc(OC)ccc4[nH]3)cccc21)C(C)N(C)C1CCOCC1,DGJZXRULERZZAS-UHFFFAOYSA-N
-rxn:2:95293:110459,COCCC1(NC2CC(C)(C)Oc3cc(N4CCCC4)ccc32)CCc2ccccc2C1,LYCGCOSHLPLGTI-UHFFFAOYSA-N
-rxn:2:96093:126124,CCC(Nc1ccccc1OCCN1CCCCCC1)C1CCCCN1C1CC1,BMHHXPXVIZEJTO-UHFFFAOYSA-N
-rxn:2:96427:70249,CCCC(Nc1ccc(CC)cc1N1CCCC1)C1CCCCN1C1CCCC1,DWOYPKYHEBUXRY-UHFFFAOYSA-N
-rxn:2:97326:145827,COCC1(NC(CN2CCOCC2)c2ccc3ccccc3c2)CC(C[Si](C)(C)C)C1,PNJWBBHGLKDOOE-UHFFFAOYSA-N
-rxn:2:97326:148130,COCC1(NC2CCN([C@@H]3Cc4cccc5cccc3c45)CC2)CC(C[Si](C)(C)C)C1,MKYDWQLYHNDVPQ-MFXVKMIXSA-N
-rxn:2:97794:143222,CCCC(NCC1(C(C2CCN(C)CC2)N(C)C)CC1)c1ccc(-c2nc3ccsc3c(=O)[nH]2)cc1,ONEKCTIJPBMQHG-UHFFFAOYSA-N
-rxn:2:97794:159511,CCC(NCC1(C(C2CCN(C)CC2)N(C)C)CC1)c1cccc(-c2ccc3[nH]c(=O)[nH]c3c2)c1,WLDFRAPJFGKWCT-UHFFFAOYSA-N
-rxn:2:97823:171582,CCCC(C(NC1CCN(c2ccc(OC)cc2)C1)c1ccc2c(c1)CCCC2)N1CCCC1,KABGLPUWZFBBKN-UHFFFAOYSA-N
-rxn:2:99349:126170,CCCC(C(NCC1CCC(N(C)C)CC1)c1ccc2c(c1)CCC2)N1CCCC1,RMODRMJYAVWXDK-UHFFFAOYSA-N
-rxn:2:99547:114642,CCC(NC1CC[C@H](COS(=O)(=O)CC)C1)C(c1ccccn1)N1CCN(C)CC1,ZFHFRKRNQGOMHK-GXYLUKSESA-N
-rxn:2:99547:118444,CCC(NC1CC[C@@H](COS(=O)(=O)CC)C1)C(c1ccccn1)N1CCN(C)CC1,ZFHFRKRNQGOMHK-USFHKRFISA-N
-rxn:2:99573:115389,CCC(C(Nc1ccc(OCCC(C)C)nc1)c1ccc2c(c1)CCCC2)N1CCCC1,OCZDTGCCWNGHGB-UHFFFAOYSA-N
-rxn:2:100658:118689,CCOCCCN1CCC(Nc2ncccc2OC(=O)C(C)C)C(C)C1,KXMFFRVKPCWXOU-UHFFFAOYSA-N
-rxn:2:101328:117066,CC(NCC1CCN(CCN(C)C)CC1)c1ccc(OS(=O)(=O)[O-])cc1,QTFLWFAFRZYRNQ-UHFFFAOYSA-M
-rxn:2:102112:155396,CC(=O)c1ccc(C2C(CSC(C)NCC3CN(C)C(C)(C)C3)C2(F)F)nc1,CZWJLFJTFYWFSQ-UHFFFAOYSA-N
-rxn:2:102308:147508,CCOc1cc(NC(C)c2ccc(OC)c(-c3cnn(C4CCCC4)c3)c2)cnc1N1CCCC(C)C1,WGAWGYBGMYZJNP-UHFFFAOYSA-N
-rxn:2:102738:143818,CC(CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)NC1CCC(c2nncn2CCN(C)C)CC1,PNNKRHCRCFHPAO-UHFFFAOYSA-N
-rxn:2:103203:128555,CCCC(Nc1ccc(OC)c(C2CCN(C(C)C)C2)c1)C1CCN(c2cnccn2)CC1,NRLUOEMADMJPHX-UHFFFAOYSA-N
-rxn:2:103637:106485,COc1cccc(C(NC(CC2=NCCO2)c2cc(OC)ccc2OC)C2CCCC2)c1,XUGNZFJCMCPEHU-UHFFFAOYSA-N
-rxn:2:104370:142878,CCOC1CCN(c2ccc(NC(C)c3cc(-c4cnn(C5CCOC5)c4)ccc3OC)c(C)c2)CC1,POKOSNJQPCJQMG-UHFFFAOYSA-N
-rxn:2:105790:125295,CN(C)C(C)(CNC1CC(CS(=O)(=O)F)C1)C1C2CC3CC(C2)CC1C3,GQAIGVBLOCSEFW-UHFFFAOYSA-N
-rxn:2:105921:109246,CCCN(C)C1(CNC(CC)C2(F)CC2)CN2CCC1CC2,QBICFIYYAFYTIQ-UHFFFAOYSA-N
-rxn:2:105921:141226,CCCN(C)C1(CNC2CCC2(C)F)CN2CCC1CC2,XJRUGOGSCOMIGV-UHFFFAOYSA-N
-rxn:2:105921:144472,CCCC(NCC1(N(C)CCC)CN2CCC1CC2)c1ccc(-c2ccc3n[nH]c(=O)n3n2)cc1,ABRLYBYPSHWDID-UHFFFAOYSA-N
-rxn:2:105921:147743,CCCN(C)C1(CNC(C)c2cc(-c3ccc(OC)cc3)n[nH]c2=O)CN2CCC1CC2,HRXNMYHENVUFAN-UHFFFAOYSA-N
-rxn:2:106047:134417,CCC(Nc1cnc(N2CCC(CN(C)C)CC2)c(C)c1)c1ccc(N2CCOCC2)nc1C,ZOHOQMCSKDIQQB-UHFFFAOYSA-N
-rxn:2:106175:171582,CCCC(C(Nc1nccnc1OCC1CC1)c1ccc2c(c1)CCCC2)N1CCCC1,RLHNJHCGKNUXSK-UHFFFAOYSA-N
-rxn:2:106180:126600,Cc1ccc(C(C)NCc2nccc(N3CCN(C4CCC4)CC3)n2)c(OS(=O)(=O)F)c1,RDMKEZIDNAXLTN-UHFFFAOYSA-N
-rxn:2:106445:160789,CCN1CCC(CNC(COC)c2ccc3[nH]c(C(C)C)nc3c2)(N(C)C)CC1,VZSZPLUMLXLSSW-UHFFFAOYSA-N
-rxn:2:106844:155396,CC(=O)c1ccc(C2C(CSC(C)NC3(c4nnc(C)n4C)CCCC3)C2(F)F)nc1,UENDOAPUKZPWKP-UHFFFAOYSA-N
-rxn:2:107078:163343,CCc1cc(NC(C)c2ccc(OC)c(-c3cnc(N4CCCC4)nc3)c2)c(OC)cc1N1CCCCC1,FTKUVFXTCRNXOF-UHFFFAOYSA-N
-rxn:2:107205:142505,CC(=O)c1ccc(C2C(CCSC(C)NC3(c4nnc(C)n4C)CCCCC3)C2(F)F)nc1,NWBWNEVYFDMYHF-UHFFFAOYSA-N
-rxn:2:107422:155396,CC(=O)c1ccc(C2C(CSC(C)Nc3nc(C)[nH]c3N3CCCC3CN(C)C)C2(F)F)nc1,VRZXFXOXWGVBPS-UHFFFAOYSA-N
-rxn:2:109296:125295,CC12CN3CN(C1)CC(c1ccncc1)(C3)C2NC1CC(CS(=O)(=O)F)C1,YMTCRZFQASNCNR-UHFFFAOYSA-N
-rxn:2:109467:114262,COCS(=O)(=O)c1ccc(C(C)NCC2(N(C)C3CC3)CN3CCC2CC3)cc1,LGPQRXJABHYBFW-UHFFFAOYSA-N
-rxn:2:109579:150331,CCCCC1CCC(c2cc(NC(C)c3ccc(OC)c(-c4ccc5c(c4)OCCCO5)c3)[nH]n2)CC1,TWDXRCORYILKHB-UHFFFAOYSA-N
-rxn:2:110724:136378,CCOc1ccc(C#CCNC2CCN(CCOS(C)(=O)=O)CC2)cn1,RHBKNSPOSIOMLP-UHFFFAOYSA-N
-rxn:2:111431:69948,CCC(C(NCC1(S(=O)(=O)CC)CCCC1)c1ccc(OC)cc1)S(C)(=O)=O,LAPJCSLMGLXKHJ-UHFFFAOYSA-N
-rxn:2:111573:135939,O=S(=O)(F)c1ccccc1C#CCCNC1CCN(C23CC(C2)C3)CC1,QARCSGJLUJWYMP-UHFFFAOYSA-N
-rxn:2:111600:140411,CCOc1c(C(C)NCC(OC)C2CCC(F)(F)CC2)cnn1CC(C)C,BHWOWCWHUJDBMJ-UHFFFAOYSA-N
-rxn:2:111645:150440,CCN1CCN(c2ccc(NC(Oc3cccnc3)c3oc4c(c3C)C(=O)CC(C)(C)C4)cc2OC)CC1,NFDIXKUANSICQZ-UHFFFAOYSA-N
-rxn:2:112001:94523,COc1cccc(C(CN2CCOCC2)NCC(c2cccnc2)N2CCC(OC)CC2)c1,NDDKTDDYJDHRIR-UHFFFAOYSA-N
-rxn:2:113160:164265,CCN1CCN(c2cccc(NC(C)c3ccc(OC)c(-c4cnn(C5CCOC5)c4)c3)c2OC)CC1,YWCCYBUKGVVYDE-UHFFFAOYSA-N
-rxn:2:115224:109800,CCC(C(NC1CCN(c2nccnc2OC)CC1)c1ccccc1)N1CCCOCC1,XRSPOJVCRWYPAQ-UHFFFAOYSA-N
-rxn:2:115224:147749,CCOc1ccc2ccccc2c1C(CN1CCCCC1)NC1CCN(c2nccnc2OC)CC1,PUNKRDLROUYBRO-UHFFFAOYSA-N
-rxn:2:115224:79120,CCC(NC1CCN(c2nccnc2OC)CC1)c1ccc2c(c1)N(C(C)C)CC(C(C)C)O2,RVODETMRKHJQEJ-UHFFFAOYSA-N
-rxn:2:115278:126600,Cc1ccc(C(C)NC(CN2CCOCC2)C2CC2)c(OS(=O)(=O)F)c1,HUMQUERKHHAARL-UHFFFAOYSA-N
-rxn:2:115327:126600,Cc1ccc(C(C)NCC2CC3CCC(C2)N3C2CC2)c(OS(=O)(=O)F)c1,SAWHCPLEGPTANF-UHFFFAOYSA-N
-rxn:2:115637:146004,CCCC1CCN(c2ccc(NC3CCc4cccc(-c5cnc(N6CCOCC6)nc5)c43)c(OC)n2)CC1,KEIDVAHKKGOLHH-UHFFFAOYSA-N
-rxn:2:115849:119356,CCOCC1CN(c2ncccc2NC(C)c2cnccc2OCC2(C)CCC2)CC1C,RSGYGCLVJOWLPF-UHFFFAOYSA-N
-rxn:2:115937:159547,CCN1CCC2(CCC(CCNC(C)c3ccc(OC)c(-c4cncc5[nH]ccc45)c3)CC2)CC1,CNANHTAMRQQLKU-UHFFFAOYSA-N
-rxn:2:115972:125145,CC1(C)[C@@H]2CC[C@]1(CS(=O)(=O)F)C(NC(=[Se])C1CC1)C2,CZEZUVHEBDYQFC-JENJKZFGSA-N
-rxn:2:116862:126600,Cc1ccc(C(C)NCC2(S(C)(=O)=O)CCCCCC2)c(OS(=O)(=O)F)c1,VFFDQMBIWNSBJC-UHFFFAOYSA-N
-rxn:2:117273:147487,CC(NCCCN1CCc2cc(-n3cnnn3)ccc21)SCC12CC(=O)CC(CN(C)C1)C2(F)F,OIAYKNOXAGOERK-UHFFFAOYSA-N
-rxn:2:117273:150995,CC(Nc1ccccc1OCc1nn2cnnc2s1)SCC12CC(=O)CC(CN(C)C1)C2(F)F,VUBQPCZRFPUYRM-UHFFFAOYSA-N
-rxn:2:117566:114770,CCCCOc1ccc2cc(NC(CCC)C3CCCCN3C3CCC3)cnc2c1,DFHGHGURSBNABL-UHFFFAOYSA-N
-rxn:2:117699:114061,O=S(=O)(F)CCCCNC(CN1CCCC2CCCCC21)c1ccc[nH]1,HVYHPTTUNMGOHO-UHFFFAOYSA-N
-rxn:2:118088:127693,CCN1CCC(N(C)c2c[nH]nc2NC(C)SCC2C(c3ccsc3C(C)=O)C2(F)F)CC1,UAOVFFJDRJJEJU-UHFFFAOYSA-N
-rxn:2:118099:128555,CCCC(Nc1cccc(N2CCC(F)(F)CC2)c1OC)C1CCN(c2cnccn2)CC1,QVRHBKGGUWGSSI-UHFFFAOYSA-N
-rxn:2:118245:140411,CCCOc1c(C(C)NCC(OC)C2CCC(F)(F)CC2)cnn1C(C)C,CYILABOCNOZTQC-UHFFFAOYSA-N
-rxn:2:118625:95393,CCOC1CCCN(c2ccc(NC(C)c3ccccc3OCCN3CCC(C)C3)nc2)C1,SCBAQVQNYRLBQG-UHFFFAOYSA-N
-rxn:2:118925:136378,COc1cccc(S(=O)(=O)F)c1NC1CCN(CCOS(C)(=O)=O)CC1,GQIWGQMSTGCQFF-UHFFFAOYSA-N
-rxn:2:119643:126600,Cc1ccc(C(C)NCCN(C2CCSCC2)C2CC2)c(OS(=O)(=O)F)c1,SMVGUBUUHPANRL-UHFFFAOYSA-N
-rxn:2:120100:126600,Cc1ccc(C(C)NC(CC2C3CC4CC(C3)CC2C4)c2nnc[nH]2)c(OS(=O)(=O)F)c1,FFVFOHQMBDEJNM-UHFFFAOYSA-N
-rxn:2:120408:155396,CC(=O)c1ccc(C2C(CSC(C)NCC3(C)CN(C)C3)C2(F)F)nc1,AXPGIDSSKZHGAW-UHFFFAOYSA-N
-rxn:2:120678:142505,CC(=O)c1ccc(C2C(CCSC(C)Nc3snnc3CN3CCN(C)CC3)C2(F)F)nc1,MOBNWZGXFRBTNW-UHFFFAOYSA-N
-rxn:2:120678:155396,CC(=O)c1ccc(C2C(CSC(C)Nc3snnc3CN3CCN(C)CC3)C2(F)F)nc1,VPQXVQOSBHPFDV-UHFFFAOYSA-N
-rxn:2:120702:158112,CC(C)C1C(F)(F)C12CCC(Nc1ncnc3c1[nH]c(=O)n3CCCN(C)C)CC2,CWZVWLNZMBYXQB-UHFFFAOYSA-N
-rxn:2:120784:105145,CCOCC1CCN(c2ccccc2NC(CC)c2ccc(N3CCC4(CC3)CC4)cc2)CC1,JJPRSFYTQXDVCJ-UHFFFAOYSA-N
-rxn:2:120858:126600,Cc1ccc(C(C)NCc2cnc(C3C4CC5CC(C4)CC3C5)nc2)c(OS(=O)(=O)F)c1,JVBAKNGXFKZPHS-UHFFFAOYSA-N
-rxn:2:121002:168490,CCn1ncc(-c2cc(C)ccc2OC)c(C(C)NCC2CC(N(C)C)CC(C)(C)C2)c1=O,CJUVTLFQAWDXEJ-UHFFFAOYSA-N
-rxn:2:121127:126170,CCCC(C(Nc1ccc(OCC2CCCO2)nn1)c1ccc2c(c1)CCC2)N1CCCC1,GDSQEQHCECOXLM-UHFFFAOYSA-N
-rxn:2:121710:155396,CC(=O)c1ccc(C2C(CSC(C)NC3(C)CCCN(CCN(C)C)C3)C2(F)F)nc1,JXIZNJWJIYHIJW-UHFFFAOYSA-N
-rxn:2:122039:72012,CCN(CCNC(CCS(=O)(=O)F)c1ccccc1)C1CCCCCC1,NDRNVEBQTAZXAM-UHFFFAOYSA-N
-rxn:2:122976:155396,CC(=O)c1ccc(C2C(CSC(C)NC3(c4ccc(C)cc4)CC(C)(C)C3)C2(F)F)nc1,INEUHPKOBFKBDY-UHFFFAOYSA-N
-rxn:2:123036:151525,CCOc1nc(N2CCC(C)(C)CC2)ccc1NC(Cc1nc2ccccc2o1)CC1CCCC1,XHPMRRHLPRPLJM-UHFFFAOYSA-N
-rxn:2:123135:126600,Cc1ccc(C(C)NC2CCC3CC2CN3C2CC2)c(OS(=O)(=O)F)c1,ZANOPWSEPZOKRU-UHFFFAOYSA-N
-rxn:2:123501:126600,Cc1ccc(C(C)NCCC2CCCN2c2ccc(C3CCC3)nn2)c(OS(=O)(=O)F)c1,RJWVVDAGUGVFGC-UHFFFAOYSA-N
-rxn:2:124067:143818,CCC(C)n1cnnc1CC1CCC(NC(C)CC(c2ccc3[nH]c(=O)[nH]c3c2)N(C)C)CC1,UVALCYRGVCHGIB-UHFFFAOYSA-N
-rxn:2:124436:150130,CCN1CCN(c2ncncc2NC(C)c2ccc(OC(C)C3CCCN(C)C3)c(OC)c2)CC1,KEBZGZROGOGTPC-UHFFFAOYSA-N
-rxn:2:125295:125212,CC(C)(COC12CC3CC(CC(C3)C1)C2)NC1CC(CS(=O)(=O)F)C1,KWMDOKTUBFVEIR-UHFFFAOYSA-N
-rxn:2:126076:154391,CC(CCCCn1c(=O)c2nc[nH]c2n(C)c1=O)NC1CCC(C(c2cccnc2)N(C)C)CC1,GWVGTHHHWGKBCM-UHFFFAOYSA-N
-rxn:2:126293:126600,Cc1ccc(C(C)Nc2cncnc2OC2CCCC2N(C)C2CC2)c(OS(=O)(=O)F)c1,VPFHKAKXRZYVDW-UHFFFAOYSA-N
-rxn:2:126600:130772,Cc1ccc(C(C)NCCN(C)C2CCN(C)CC2)c(OS(=O)(=O)F)c1,GJOOVWMEFLWDHX-UHFFFAOYSA-N
-rxn:2:126600:133410,Cc1ccc(C(C)NC2CC(N3CCN(C)CC3)C2)c(OS(=O)(=O)F)c1,NFYDAGUVEUHNQU-UHFFFAOYSA-N
-rxn:2:126600:135565,Cc1ccc(C(C)NCCC2CCN(c3ncc(C4CCC4)cn3)C2)c(OS(=O)(=O)F)c1,NHCXKVSXOWFZIU-UHFFFAOYSA-N
-rxn:2:126600:137160,Cc1ccc(C(C)Nc2cc(OC3C4CC5CC(C4)CC3C5)n[nH]2)c(OS(=O)(=O)F)c1,FLQAWWBLYQFWPC-UHFFFAOYSA-N
-rxn:2:126600:139616,Cc1ccc(C(C)NCCN2CCC(N(C)C)CC2)c(OS(=O)(=O)F)c1,NIUSVCIMTHZACN-UHFFFAOYSA-N
-rxn:2:126600:160921,Cc1ccc(C(C)Nc2n[nH]c(=O)cc2C2C3CC4CC(C3)CC2C4)c(OS(=O)(=O)F)c1,PGPVHWROFVBLHD-UHFFFAOYSA-N
-rxn:2:126881:126600,Cc1ccc(C(C)NC2CCN(C34CC(C3)C4)CC2)c(OS(=O)(=O)F)c1,IUUWSWWERAYLDR-UHFFFAOYSA-N
-rxn:2:127606:128555,CCCC(NCC1(c2ccc(C(C)C)cc2OC)COC1)C1CCN(c2cnccn2)CC1,ZEGMGKOTVLNYKL-UHFFFAOYSA-N
-rxn:2:127693:173139,CCN1CCC(N(C)c2c[nH]nc2NC2CC(C)(C)Oc3ccc(-c4cc(C)ccc4OC)cc32)CC1,UPXDVFKZOJBNBT-UHFFFAOYSA-N
-rxn:2:127693:92693,CCC(Nc1n[nH]cc1N(C)C1CCN(CC)CC1)C(c1ccc(OC)c(C)c1C)C(C)C,SZXCETLNCVFOBQ-UHFFFAOYSA-N
-rxn:2:128132:137797,CC1CC2CC(Nc3cncc(OS(=O)(=O)F)c3)C3CC2C(C1)N(C)C3,FTSOJOBGIYBENF-UHFFFAOYSA-N
-rxn:2:128148:164697,CCC1CCC(CNC(C)c2ccc(C(F)(F)C(=N)Sc3nnc[nH]3)cc2)(OC)CC1,ICSPOVSAYYDEKD-UHFFFAOYSA-N
-rxn:2:129411:75286,CCCN1CCC(Oc2ncc(NC(c3ccc(OC)c(CC)c3)C3CCC3)cn2)CC1,YLFPPNAEDMOQMO-UHFFFAOYSA-N
-rxn:2:129478:142505,CC(=O)c1ccc(C2C(CCSC(C)NOCC3(C)CCC3)C2(F)F)nc1,VUSONGGCSJLIPB-UHFFFAOYSA-N
-rxn:2:130655:147456,CCC(NC(C)c1ncc(-c2ccc(OC3CC3)cc2)cc1OC)c1cnc(N2CCCCCC2)cc1C,LTIKWCVHNUDNTJ-UHFFFAOYSA-N
-rxn:2:132135:142878,CCC1CCN(Cc2cc(NC(C)c3cc(-c4cnn(C5CCOC5)c4)ccc3OC)ccc2OC)CC1,JAJXMEOXSGUXMZ-UHFFFAOYSA-N
-rxn:2:132135:147508,CCC1CCN(Cc2cc(NC(C)c3ccc(OC)c(-c4cnn(C5CCCC5)c4)c3)ccc2OC)CC1,NEOPENKSWMTENT-UHFFFAOYSA-N
-rxn:2:132658:167745,Cc1cc(NC(c2ccc(S(C)(=O)=O)cc2)C23CC(C2)C3)nn1CS(=O)(=O)C1CCCC1,GEHSACOHOFLKNT-UHFFFAOYSA-N
-rxn:2:133140:143495,CC(NCC(F)(F)CN1CCOCC1(C)C)c1ccc(-c2nc3c(=O)n(C)c(=O)n(C)c3[nH]2)cn1,JXRPQPWPYRMREU-UHFFFAOYSA-N
-rxn:2:133772:104349,CCN1CCC(Oc2ccc(C(C)Nc3ccc(N4CCN(CC(C)(C)C)CC4)cn3)cc2OC)CC1,FEKCFIJPOOOQTM-UHFFFAOYSA-N
-rxn:2:134611:114770,CCCC(Nc1cnccc1OCC1CCC1)C1CCCCN1C1CCC1,YOAPCRMYTQHGPQ-UHFFFAOYSA-N
-rxn:2:134611:171582,CCCC(C(Nc1cnccc1OCC1CCC1)c1ccc2c(c1)CCCC2)N1CCCC1,BDVGFPXFVVWAPZ-UHFFFAOYSA-N
-rxn:2:136378:137446,CS(=O)(=O)OCCN1CCC(NCC#Cc2ccc(S(=O)(=O)F)cc2)CC1,QYMXOAQXCYWVFU-UHFFFAOYSA-N
-rxn:2:136378:139373,COc1ccc(S(=O)(=O)F)cc1NC1CCN(CCOS(C)(=O)=O)CC1,RLGPEFTUOMEZQC-UHFFFAOYSA-N
-rxn:2:138182:144237,CC(=O)c1cncc(C2C(CSC(C)Nc3nc(CN4CCC(N(C)C)CC4)cs3)C2(F)F)c1,MJIONOPAULKMLA-UHFFFAOYSA-N
-rxn:2:138575:149145,CCN1CCCC(Oc2ncncc2NC(CCN2CCCCC2)c2ccc(OC)c3ccccc23)C1,IYWCRSIXHFSUAE-UHFFFAOYSA-N
-rxn:2:138575:167100,CCN1CCCC(Oc2ncncc2NC(CN2CCC(C)CC2)c2ccc(OC)c3ccccc23)C1,SUFCRFBESXWVCF-UHFFFAOYSA-N
-rxn:2:138575:98451,CCN1CCCC(Oc2ncncc2NC(C)Oc2cccc(OC)c2C(=O)C(C)(C)C)C1,XNJJMQMKLQAUAJ-UHFFFAOYSA-N
-rxn:2:138759:114125,CCN1CCC(COc2ncc(NC3CCN([C@@H](C)c4cccc(OC)c4)CC3)cn2)CC1,OOKXWQDZJPZSAR-FQEVSTJZSA-N
-rxn:2:138759:126556,CCN1CCC(COc2ncc(NC(C)c3ccc(OC)c(CN4CCCC4)c3)cn2)CC1,ZNAZLVYYNPJLGD-UHFFFAOYSA-N
-rxn:2:138759:142878,CCN1CCC(COc2ncc(NC(C)c3cc(-c4cnn(C5CCOC5)c4)ccc3OC)cn2)CC1,VADRRKQIRYVLQO-UHFFFAOYSA-N
-rxn:2:138759:147713,CCN1CCC(COc2ncc(NC(C)c3c(OC)cccc3-c3cnn(C4CCOC4)c3)cn2)CC1,BDFLGTSHMBSKSP-UHFFFAOYSA-N
-rxn:2:138759:84790,CCN1CCC(COc2ncc(NC(CN3CCCCC3)c3ccccc3OC)cn2)CC1,NBEUZSCSCIWELL-UHFFFAOYSA-N
-rxn:2:138988:123810,CCC(Nc1ccc(CN2CCC(F)(F)C2)cc1OC)c1cnc(N2CCOCC2)c(C)c1,ROTNIYATQMDTMS-UHFFFAOYSA-N
-rxn:2:138988:165386,CCc1c(C)nc(-c2cnccn2)nc1N1CCC(Nc2ccc(CN3CCC(F)(F)C3)cc2OC)CC1,QXEPMQIFYWWXJO-UHFFFAOYSA-N
-rxn:2:139129:106485,COc1ccc(OC)c(C(CC2=NCCO2)NCc2nccc(N3CCC(F)CC3)n2)c1,ZCARPBGLCXZHIR-UHFFFAOYSA-N
-rxn:2:140131:155181,CCC(Nc1cc(CN2CCCC2)c(OC)c(OC)c1)c1ccc(-c2cnc(N3CCCCC3)nc2)cc1,OWWATKQZQBHSSX-UHFFFAOYSA-N
-rxn:2:140278:69720,CCN1CCN(c2n[nH]c(NC(C)c3ccc(CN4CCOCC4)c(OC)c3)n2)CC1,JYRHCYLRBPFZRN-UHFFFAOYSA-N
-rxn:2:140982:143818,CC(CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)Nc1cnc(OCC2CCCCN2C2CC2)nc1,VCAJBTFCGMMFDB-UHFFFAOYSA-N
-rxn:2:141302:134221,CCC(Nc1ccc(N2CCC(F)(F)CC2)cc1OC)c1cnc(N2CCN(C)CC2)cc1C,RMEJYJSDIIHCSI-UHFFFAOYSA-N
-rxn:2:147542:171582,CCCC(C(Nc1cc(OC)ccc1Oc1nccn(C)c1=O)c1ccc2c(c1)CCCC2)N1CCCC1,UDTVBAFHLUEIKC-UHFFFAOYSA-N
-rxn:2:148504:145434,CCCc1cc(NC2c3cccc(OC)c3OCCC2CN2CCCCC2)n(-c2ccncc2OC)n1,SODVJXIUFADWRV-UHFFFAOYSA-N
-rxn:2:150119:145434,COc1cccc2c1OCCC(CN1CCCCC1)C2Nc1c(-n2nccc2C2CCC2)ccnc1C,LDHQCMZXFPIOSU-UHFFFAOYSA-N
-rxn:2:151201:115389,CCOc1ccncc1-n1nc(C(C)C)cc1NC(c1ccc2c(c1)CCCC2)C(CC)N1CCCC1,IXIAAIPMWXKPIR-UHFFFAOYSA-N
-rxn:2:151667:101629,CCCC(C)N1CCC(C(CC)Nc2[nH]ncc2-c2ccc(C(C)C)cc2OC)CC1,BLTVWLUXLIZWSO-UHFFFAOYSA-N
-rxn:2:153503:158236,CCOc1ccc(C(CN2CCCC(C)C2)Nc2cc(C3CC3)nn2-c2ccncc2OC)c(C)c1C,LCLWQXPQRCGQRL-UHFFFAOYSA-N
-rxn:2:154040:85280,CCCO[C@H]1CC[C@@](C)(N2CCC(NC3CC(c4nc(C)c(-c5ccccn5)[nH]4)C3)CC2)CC1,XYCJCLSTFAPHNL-JWVDOYQWSA-N
-rxn:2:159031:85280,CCCO[C@H]1CC[C@@](C)(N2CCC(NCCc3c(C)nc4[nH]c(-c5ccccn5)nn34)CC2)CC1,YELHNRCFMDVVJO-JAQLMMITSA-N
-rxn:2:161705:117927,CCc1nn(-c2ccnc(C3CC3)c2)c(NC(C)c2ccc(OC)c(OC3(C)CCN(C)CC3)c2)c1C,QQSRVLIMXFMJBC-UHFFFAOYSA-N
-rxn:2:162385:164641,CC(Nc1cc2c(n(CC3CCCO3)c1=O)CCCC2)c1cncc(C(F)(F)C(=N)Sc2nnc[nH]2)c1,BLPCXMTUBHPWTE-UHFFFAOYSA-N
-rxn:2:163507:172871,CCOc1c(OC)[nH]c2nc(NC(C)c3ccc(C(F)(F)C(=N)SC4CCCC4)nc3)nn2c1=O,MBMJKZIVIFAFMW-UHFFFAOYSA-N
-rxn:2:164933:113124,COc1ccc2c(c1)c(CCNC1CCN(c3cc(N4CCCCCC4)ncn3)C1)cn2C(C)C,QIIYWRMDYCAYGW-UHFFFAOYSA-N
-rxn:2:165627:96642,CCCC(Nc1cc2cccc(OC)c2nc1OCC1CC1)C1CCN(C2CC2)CC1,FSVDCIOSOYIMLV-UHFFFAOYSA-N
-rxn:2:167112:131146,CCC(C)C(NC(C)c1ccc(OCC2CCCN(C)C2)c(OC)c1)c1nc2cnccc2c(=O)[nH]1,VWPLMPNOKFFCKE-UHFFFAOYSA-N
-rxn:2:168309:104349,CCc1nn(-c2ccccn2)c(NC(C)c2ccc(OC3CCN(CC)CC3)c(OC)c2)c1C1CCC1,IWJBSRNBZVOZHC-UHFFFAOYSA-N
-rxn:2:65896:126600,Cc1ccc(C(C)NC2CCN(Cc3ncoc3C3CCC3)CC2)c(OS(=O)(=O)F)c1,ZINMQGJCBLXRPL-UHFFFAOYSA-N
-rxn:2:66345:117273,CC(Nc1ccccc1OCc1nnnn1C(C)C)SCC12CC(=O)CC(CN(C)C1)C2(F)F,ZHVLEWARUMRREA-UHFFFAOYSA-N
-rxn:2:67248:149807,CCN(C)CCN1C2CCC1CC(NC(c1ccc(-c3nc4nc[nH]c4c(=O)[nH]3)cc1)C(C)C)C2,ZYXLSGGMWWMVHY-UHFFFAOYSA-N
-rxn:2:67412:111610,CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)F)C(NC1(COS(=O)(=O)[O-])CCCC1)C2,LCYLZUDBZDYLNK-PTLQBWSTSA-M
-rxn:2:67752:171582,CCCC(C(Nc1n[nH]c2cccc(OCC3CC3)c12)c1ccc2c(c1)CCCC2)N1CCCC1,MCEXHJJFAXUBJA-UHFFFAOYSA-N
-rxn:2:68310:114642,CCS(=O)(=O)OC[C@H]1CCC(NCC(c2ccsc2)N2CCN(C)CC2)C1,BRAFWVYROQKPKI-IVMQYODDSA-N
-rxn:2:68310:118444,CCS(=O)(=O)OC[C@@H]1CCC(NCC(c2ccsc2)N2CCN(C)CC2)C1,BRAFWVYROQKPKI-IPJUCJBFSA-N
-rxn:2:68813:158347,CCC(NCC(N(C)OC)C12CC3CC(CC(C3)C1)C2)c1ccc(-c2c[nH]nc2C)cc1C,NSPREZLFXHVJJW-UHFFFAOYSA-N
-rxn:2:68863:156343,CC(=O)c1ccc(C2C(CCSC(C)NC3(c4ncnn4C)CCN(C)CC3)C2(F)F)cn1,BBYUEMXDSCNRHB-UHFFFAOYSA-N
-rxn:2:69003:136378,CC(NC1CCN(CCOS(C)(=O)=O)CC1)C(c1ccncc1)N(C)C1CC1,CUSVZQDADYRTGA-UHFFFAOYSA-N
-rxn:2:69009:126600,Cc1ccc(C(C)NC(c2nnc[nH]2)C2C3CC4CC(C3)CC2C4)c(OS(=O)(=O)F)c1,ZIHRJQAJMMXFRI-UHFFFAOYSA-N
-rxn:2:69035:117752,CCC1CCN(CC(Nc2ccc(N3CCC(N(C)C)CC3)cc2OC)c2cc(C)[nH]c2C)CC1,BORSDYVPQHLODG-UHFFFAOYSA-N
-rxn:2:69415:112657,CC(C)c1cc(NC2CCN(c3ccc(C4CCN(C)C4)nn3)C2)ccc1OS(=O)(=O)F,VCFVINCZYVSTIK-UHFFFAOYSA-N
-rxn:2:69566:157049,CN(C)C1(CNC2CC3(CS(=O)(=O)C3)Oc3ccccc32)CN2CCC1CC2,XTPMTCQJKZLHCB-UHFFFAOYSA-N
-rxn:2:69974:136378,Cc1cccc(C2CC2CCNC2CCN(CCOS(C)(=O)=O)CC2)n1,BXXGPWKIUWLACG-UHFFFAOYSA-N
-rxn:2:70140:126600,Cc1ccc(C(C)NC2COCC2N2CCN(C)CC2)c(OS(=O)(=O)F)c1,YNIGMRASPNFWSG-UHFFFAOYSA-N
-rxn:2:70230:154391,COCC1CC(F)(F)CN1c1ncccc1NC(C)CCCCn1c(=O)c2nc[nH]c2n(C)c1=O,RKBKZOOFGCBQSO-UHFFFAOYSA-N
-rxn:2:70685:115520,O=S(=O)(F)C1CC(NCCc2ncc(C3C4CC5CC(C4)CC3C5)[nH]2)C1,ABSPJVKLEZBRTM-UHFFFAOYSA-N
-rxn:2:70685:124929,O=S(=O)(F)C1CC(NCCc2cnc(C3C4CC5CC(C4)CC3C5)[nH]2)C1,LWFBOOHCALKNTH-UHFFFAOYSA-N
-rxn:2:70685:87137,O=S(=O)(F)C1CC(NCCc2cc(C3C4CC5CC(C4)CC3C5)[nH]n2)C1,MNHLEWVPFBOIKH-UHFFFAOYSA-N
-rxn:2:70768:155230,COCC1CCCN(c2ccccc2NC(CN2CC(C)CC(C)C2)c2ccc3[nH]c(C)nc3c2)C1,LSGXOVHZESKDSL-UHFFFAOYSA-N
-rxn:2:71455:144237,CC(=O)c1cncc(C2C(CSC(C)Nc3snnc3CN(C)C3CCCN(C)C3)C2(F)F)c1,YLVVIMMQRHASJY-UHFFFAOYSA-N
-rxn:2:71455:147728,CC(=O)c1ccc(C2C(CSC(C)Nc3snnc3CN(C)C3CCCN(C)C3)C2(F)F)cn1,YCCAMTNDSYHANT-UHFFFAOYSA-N
-rxn:2:71455:155396,CC(=O)c1ccc(C2C(CSC(C)Nc3snnc3CN(C)C3CCCN(C)C3)C2(F)F)nc1,MPURAXGUJVLQNJ-UHFFFAOYSA-N
-rxn:2:71510:123904,CC1(CN2C3CCC2CC(NCCS(=O)(=O)c2cccs2)C3)CCC1,HKHDGMOHWXHMGT-UHFFFAOYSA-N
-rxn:2:72474:147508,CCOc1ccc(CN2CCC(NC(C)c3ccc(OC)c(-c4cnn(C5CCCC5)c4)c3)CC2)cn1,KXAGZXUNJRRAJV-UHFFFAOYSA-N
-rxn:2:72574:147006,CC1CCC(NCC2C(c3n[nH]c4nc[nH]c(=O)c34)C2(F)F)C(CN(C)Cc2nccn2C)C1,ZPOUISHDVOZDOM-UHFFFAOYSA-N
-rxn:2:73124:136190,CC(=O)c1cncc(C#CCCSC(C)NCCN2CC[Si](C)(C)CC2)c1,SVKWICXDUIIPKK-UHFFFAOYSA-N
-rxn:2:73305:117066,CC1CCN(C2(CNC(C)c3ccc(OS(=O)(=O)[O-])cc3)CCS(=O)(=O)CC2)C1,NLGRQEPHRPXPCT-UHFFFAOYSA-M
-rxn:2:73593:147968,CCCCC(/N=c1\ncc2c([nH]1)CC(C)(C)CC2=O)NCCC1C(c2cncc(OC)c2)C1(F)F,IXCGOFWHFZHOCS-UHFFFAOYSA-N
-rxn:2:75446:126170,CCCC(C(Nc1cccnc1OCC1CCC1)c1ccc2c(c1)CCC2)N1CCCC1,ZMRATMIADOWYSG-UHFFFAOYSA-N
-rxn:2:75446:171582,CCCC(C(Nc1cccnc1OCC1CCC1)c1ccc2c(c1)CCCC2)N1CCCC1,FGNNBXYJSSRLOC-UHFFFAOYSA-N
-rxn:2:76744:108772,CCCC1CCN(c2cccc(NC3CCN(C4CCc5ccccc54)CC3)c2C)CC1,GVJVTCIXFMJIOZ-UHFFFAOYSA-N
-rxn:2:77460:123904,CC1(CN2C3CCC2CC(NCCS(=O)(=O)c2ccsc2)C3)CCC1,CGJAVRJQKSIOMY-UHFFFAOYSA-N
-rxn:2:78105:134979,CC(C)c1cc(C(F)(F)CNC2CC(C[Si](C)(C)C)C23CCC3)[nH]n1,VWZOMMOJMDANRQ-UHFFFAOYSA-N
-rxn:2:78354:158492,CC(CNC1CCN(c2cc(N3CCN(C)CC3)ncn2)C1)C(c1ccc2oc(=O)[nH]c2c1)N(C)C,UXSDHNMHNTULMC-UHFFFAOYSA-N
-rxn:2:78382:121051,CCOCCC(Nc1cccc(CCN2CCC(C)CC2)c1)C1CCCC1,OFMSHIANCSRJMX-UHFFFAOYSA-N
-rxn:2:78525:128765,CC(C)C(C)(CNC(c1ncc[nH]1)C(C)(C)F)N1CCC(N(C)C)CC1,MGGIBIFBDFGXLO-UHFFFAOYSA-N
-rxn:2:78645:142505,CC(=O)c1ccc(C2C(CCSC(C)NC3(c4nnc(C)n4C)CCC(C)CC3)C2(F)F)nc1,NQGAPZVGJMQKLI-UHFFFAOYSA-N
-rxn:2:78848:155396,CC(=O)c1ccc(C2C(CSC(C)NCC3(CN(C)C)CC3)C2(F)F)nc1,AKLMXVKYEKVMKB-UHFFFAOYSA-N
-rxn:2:78873:78392,CCCCOc1c(NC2CCC(N(C)CCOC)CC2)c(C)nn1C,RCYQCTCUJUBTFV-UHFFFAOYSA-N
-rxn:2:79183:153933,COc1cc2c(cc1-c1ccn(C3COC3)n1)CCC2Nc1ccc(OC)c(C2CCN(C3CC3)CC2)c1,CYODFPUECGPDIG-UHFFFAOYSA-N
-rxn:2:79183:84296,CCC(Nc1ccc(OC)c(C2CCN(C3CC3)CC2)c1)c1cc2c(cc1OC)OCO2,TXEMZJHQUMCCHA-UHFFFAOYSA-N
-rxn:2:79793:171582,CCCC(C(Nc1cc(OCC2CC2)[nH]n1)c1ccc2c(c1)CCCC2)N1CCCC1,AFLMALXFHWRMEC-UHFFFAOYSA-N
-rxn:2:79917:79331,CC(=O)c1cn(C2CCC2SC(C)NCC2(CCN(C)C)CC(F)(F)C2)nn1,AHRAFMPZPLAOJM-UHFFFAOYSA-N
-rxn:2:80091:109467,CCS(=O)(=O)c1ccc(C(C)NCC2(N(C)C3CC3)CN3CCC2CC3)cc1,HFVLIMMLTQHEAT-UHFFFAOYSA-N
-rxn:2:80448:144616,CC(C)c1nc2cc(C(CCN3CCCCC3)NCC3CCCCN3C[Si](C)(C)C)ccc2[nH]1,CZGUQQGAJKMGBG-UHFFFAOYSA-N
-rxn:2:81051:123810,CCC(Nc1ccc(N2CCC(C)CC2)nc1OC)c1cnc(N2CCOCC2)c(C)c1,YEVMJWVTHFFTJL-UHFFFAOYSA-N
-rxn:2:81079:126600,Cc1ccc(C(C)NCC2CN(C)CC2C2CCOC2)c(OS(=O)(=O)F)c1,UNAWXKNATMXBON-UHFFFAOYSA-N
-rxn:2:81383:171582,CCCC(C(Nc1ccc(OCC2CCC2)nc1)c1ccc2c(c1)CCCC2)N1CCCC1,YSUYLYYNBYNODZ-UHFFFAOYSA-N
-rxn:2:82995:104349,CCN1CCC(Oc2ccc(C(C)NC(c3nc4cccnc4n3CC)C(C)C)cc2OC)CC1,GJUBRLHFVXEXJV-UHFFFAOYSA-N
-rxn:2:83490:140376,CCCC(C(Nc1cn(C2CCC2)nc1OC)c1ccc2c(c1)CCO2)N1CCCC1,GPBIOEBCBONIOK-UHFFFAOYSA-N
-rxn:2:84946:136378,CS(=O)(=O)OCCN1CCC(NCc2ccc(OS(=O)(=O)F)cc2)CC1,GRALJMPKBGAGPH-UHFFFAOYSA-N
-rxn:2:84947:91152,COCCn1c(C)nnc1C1CCC(NC(c2cccc(OC)c2)C2CC2(F)F)CC1,USAGDCBHZAVYHP-UHFFFAOYSA-N
-rxn:2:85571:136378,CCc1cc(OS(=O)(=O)F)ccc1NC1CCN(CCOS(C)(=O)=O)CC1,CZCSATASICKNNI-UHFFFAOYSA-N
-rxn:2:85579:88481,CCOC1(CNC(c2ccsc2)C2CN3CCC2CC3)CCCS(=O)(=O)C1,WTZUNIHTCPUUEQ-UHFFFAOYSA-N
-rxn:2:85594:134979,CC(C)c1cc(C(F)(F)CNC2CC(C[Si](C)(C)C)C23CCCC3)[nH]n1,UUIVOMLUJWTSAJ-UHFFFAOYSA-N
-rxn:2:86004:152982,CCc1cnn(C(C)C2CC2(F)F)c1NC1CCc2cc(-c3cnn(CCC(C)C)c3)c(OC)cc21,JSOLCRVMFNGDOP-UHFFFAOYSA-N
-rxn:2:86191:123810,CCC(Nc1cnc(N2CCN(C)CC2)cc1OC)c1cnc(N2CCOCC2)c(C)c1,DVHZGMVHYACPIX-UHFFFAOYSA-N
-rxn:2:86826:152258,CCC(N[C@H](c1ccc(OC)c(OC)c1)C1CCCCC1)c1cccc(-c2cnc(N3CCOCC3)nc2)c1,LGBNRHPMZKTDIL-JFINJBMXSA-N
-rxn:2:86840:143751,CCCN1CCN(c2ccc(NC(C)c3c(OC)cccc3-c3ccn(C4COC4)n3)cc2OC)CC1,HCSUVPMCAWMYBX-UHFFFAOYSA-N
-rxn:2:88173:164265,CCc1cc(NC(C)c2ccc(OC)c(-c3cnn(C4CCOC4)c3)c2)c(OC)cc1N1CCC(C)CC1,WJNSDYGSFPVWGX-UHFFFAOYSA-N
-rxn:2:88553:92162,CCCC(CN1CCN(c2ncccn2)CC1)Nc1ccc(N2CCOCC2)nc1OC,ORLVLKCVPNKQQO-UHFFFAOYSA-N
-rxn:2:88592:126600,Cc1ccc(C(C)NCC2C3CC2CN(C2CC2)C3)c(OS(=O)(=O)F)c1,OXLLUPFRLDCDLJ-UHFFFAOYSA-N
-rxn:2:88684:70249,CCCC(NCCS(=O)(=O)Cc1ccc(C)cc1)C1CCCCN1C1CCCC1,SJFVDSWBPYPAKU-UHFFFAOYSA-N
-rxn:2:88833:126600,Cc1ccc(C(C)NCC2CN(c3cc(C4CCOCC4)ncn3)C2)c(OS(=O)(=O)F)c1,BXWRGOPWNCIPDM-UHFFFAOYSA-N
-rxn:2:89079:126600,Cc1ccc(C(C)Nc2ccnc(N3CCN(C4CCCC4)CC3)c2)c(OS(=O)(=O)F)c1,LXQOBWPXNXPMTC-UHFFFAOYSA-N
-rxn:2:89751:142505,CC(=O)c1ccc(C2C(CCSC(C)NC3(c4nc(C)nn4C)CCCC3)C2(F)F)nc1,HFEICLFCJIUOEE-UHFFFAOYSA-N
-rxn:2:89768:149333,CCOC1CCN(c2ccc(C)cc2NC(C)c2ccc(-c3ccc(N4CCCC4)nc3)cc2OC)CC1,QZWQFZDPAAFTQD-UHFFFAOYSA-N
-rxn:2:89768:96500,CCOC1CCN(c2ccc(C)cc2NC(C)c2cnccc2OCCC2CCCCC2)CC1,VBEJVXNFPMWQRY-UHFFFAOYSA-N
-rxn:2:89888:149822,CCC(Nc1ncn(CC2CC2(C)C)n1)c1ccc(C2C(CSC(C)=O)C2(F)F)cc1,XGXKGVISUPTANY-UHFFFAOYSA-N
-rxn:2:90456:157069,CCc1cc(NC(C)c2ncc(-c3ccnc(OC4CC4)c3)cc2OC)c(OC)cc1N1CCCC(C)C1,BFKOBPWYALQAEC-UHFFFAOYSA-N
-rxn:2:90777:80111,CC(C)CCN1CCS(=O)(=O)CC1CNC1CC2(CCC2)Oc2ncccc21,APDWRMFPIRXTEH-UHFFFAOYSA-N
-rxn:2:91229:119269,COc1ccc2c(c1)C(NCC(C1CC1)N1CCN(c3ccccn3)CC1)C(OC)CO2,ZACQTTXAZBRFLY-UHFFFAOYSA-N
-rxn:2:91416:111610,CC1(C)C2CCC1(CS(=O)(=O)F)C(NC1(COS(=O)(=O)[O-])CCCC1)C2,LCYLZUDBZDYLNK-UHFFFAOYSA-M
-rxn:2:91416:125145,CC1(C)C2CCC1(CS(=O)(=O)F)C(NC(=[Se])C1CC1)C2,CZEZUVHEBDYQFC-UHFFFAOYSA-N
-rxn:2:91959:132463,CN(Cc1ccoc1)C1(CNC2CC3(C2)CS(=O)(=O)C3)CN2CCC1CC2,RNIFJPRNZOBMPP-UHFFFAOYSA-N
-rxn:2:94006:152738,CCOc1ccc(-c2cc3c(cc2OC)C(Nc2cnc(OCC4CCCN(C5CC5)C4)nc2)CC3)cn1,OXCGDPVCJWUYAM-UHFFFAOYSA-N
-rxn:2:94006:94041,CCOc1ccc(C)cc1C(Nc1cnc(OCC2CCCN(C3CC3)C2)nc1)C1CC1,CBMXEWKADIWXDQ-UHFFFAOYSA-N
-rxn:2:94794:155396,CC(=O)c1ccc(C2C(CSC(C)NCCN3CCCN(c4nc(C)cnc4C)CC3)C2(F)F)nc1,JUNOHLATZGRKSV-UHFFFAOYSA-N
-rxn:2:96290:114642,CCS(=O)(=O)OC[C@H]1CCC(NCCC2(c3cccs3)CS(=O)(=O)C2)C1,NXTQOOZKSAFIND-MLCCFXAWSA-N
-rxn:2:97163:140411,CCOc1c(C(C)NCC(OC)C2CCC(F)(F)CC2)cnn1C(C)C,NPAVXURHAZNRMU-UHFFFAOYSA-N
-rxn:2:97286:120958,CCCCCC(NCc1cncc(N=S(C)(C)=O)c1)C12CC3CC(CC(C3)C1)C2,GIEAVLBDTLRTKV-UHFFFAOYSA-N
-rxn:2:97404:104162,CC1(OCc2ccccc2)CC(NCC2(N3CCOCC3)CCS(=O)(=O)CC2)C1,ZCOLNHJGLJBNLD-UHFFFAOYSA-N
-rxn:2:97404:117066,CC(NCC1(N2CCOCC2)CCS(=O)(=O)CC1)c1ccc(OS(=O)(=O)[O-])cc1,WGOHURWHDYTXCZ-UHFFFAOYSA-M
-rxn:2:98213:109946,COC1(CNC2CC3CCCC(C2)N3CCn2cccn2)CCS(=O)(=O)C1,VRDBIJGCDBEGCG-UHFFFAOYSA-N
-rxn:2:98257:152904,CCCC(NCC(CN1CCC(F)(F)CC1)C(C)C)c1ccc(-c2cc3[nH]c(=O)[nH]c3cn2)cc1,WGCZJJIIYJJBRY-UHFFFAOYSA-N
-rxn:2:99547:149407,CCC(NC(CC1=NCCO1)c1ccc2[nH]c(=O)[nH]c2c1)C(c1ccccn1)N1CCN(C)CC1,DYZGHNZCUHWUPZ-UHFFFAOYSA-N
-rxn:2:99566:142505,CC(=O)c1ccc(C2C(CCSC(C)Nc3nc(N4CCN(C)CC4)ns3)C2(F)F)nc1,HURXJLNQLQCZGA-UHFFFAOYSA-N
-rxn:2:99934:143818,CC(CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)Nc1nccc(C2CCCN2C2CCOCC2)n1,WVCQBCHUMKQCNJ-UHFFFAOYSA-N
-rxn:1:10899:51305,O=C(O)C1CCCCC1C(=O)Nc1cccc(-c2cn(CC3C(c4cccc(N5CCNCC5)c4)C3(F)F)nn2)c1,GSWBESYEWRBEBA-UHFFFAOYSA-N
-rxn:1:10899:51306,O=C(O)C1CCCCC1C(=O)Nc1cccc(-c2cn(CC3C(c4ccc(N5CCNCC5)cc4)C3(F)F)nn2)c1,YXOQEXVAJOHRLT-UHFFFAOYSA-N
-rxn:1:10970:62052,N=c1c2nc(-n3cc(CN(C4CC4)S(=O)(=O)c4ccccc4)nn3)n3c2ncn1C1OC(COP(=O)(O)OP(=O)(O)OCC2OC3C(O)C2O)C(O)C1O,HXSLCGMWTRRBGF-UHFFFAOYSA-N
-rxn:1:11206:54193,CN1CCN(S(=O)(=O)c2ccc(OCc3cn(CCC4C(c5cncc(C(=O)O)c5)C4(F)F)nn3)cc2)CC1,CWOZNUPLJICZJQ-UHFFFAOYSA-N
-rxn:1:11284:61019,N#CC1(C(=O)Nc2cccc(-c3cn(CC(=O)N4CCN(CCF)CC4)nn3)c2)CC1,GLKGEKQARHBUSV-UHFFFAOYSA-N
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-rxn:3:62781:38152:124198,CN(C)C1(c2cn(CC3CC(=O)N(C(C(=O)NCCC#Cc4ccsc4)C4CC4)C3)nn2)CC1,BBRWLJTZWRNWMB-UHFFFAOYSA-N
-rxn:3:62781:39720:110719,CN1CCCC1c1cncc(-c2cn(CC3CC(=O)N(C(C(=O)NOCC(C)(F)F)C4CC4)C3)nn2)c1,OWVATGHONAMDHA-UHFFFAOYSA-N
-rxn:3:62781:5265:120779,CCC1Sc2ccccc2N=C1SCc1cn(CC2CC(=O)N(C(C(=O)NC3CC4C(C3)C4(F)F)C3CC3)C2)nn1,MNISIAQRVAMRHZ-UHFFFAOYSA-N
-rxn:3:62781:5265:85433,CCC1Sc2ccccc2N=C1SCc1cn(CC2CC(=O)N(C(C(=O)NC(F)(F)CC)C3CC3)C2)nn1,ZUVDXXADHGKSPY-UHFFFAOYSA-N
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-rxn:3:62781:7075:77803,CN1CCN(c2ncccc2-c2cn(CC3CC(=O)N(C(C(=O)NC4CCC5C4C5(F)F)C4CC4)C3)nn2)CC1,WHNUQHVFGPOYBC-UHFFFAOYSA-N
-rxn:3:62781:7075:84513,CN1CCN(c2ncccc2-c2cn(CC3CC(=O)N(C(C(=O)NC4C5CC(F)(F)CC54)C4CC4)C3)nn2)CC1,UXRRZQOYYAMNIZ-UHFFFAOYSA-N
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-rxn:3:62781:8634:136174,CN(C)C1(c2cn(CC3CC(=O)N(C(C(=O)Nc4cccc(C5OCC5(F)F)c4)C4CC4)C3)nn2)CCC1,CVWXWSSWSKMCOJ-UHFFFAOYSA-N
-rxn:3:62782:18519:94285,CCc1cn(CC(F)(F)F)nc1-c1cn(CC2CC(=O)N(C(C(=O)NC3CCOC3C)C3CCCC3)C2)nn1,LOWWGNDAFFVCFZ-UHFFFAOYSA-N
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-rxn:3:62782:27942:84513,CN(C)c1ccncc1-c1cn(CC2CC(=O)N(C(C(=O)NC3C4CC(F)(F)CC43)C3CCCC3)C2)nn1,NBJJYGQUMQBBDM-UHFFFAOYSA-N
-rxn:3:62782:35117:136894,C=C(C)c1cn(CC2CC(=O)N(C(C(=O)NCC(F)(F)c3ccccc3OC)C3CCCC3)C2)nn1,LKDVJMVGEYPZAY-UHFFFAOYSA-N
-rxn:3:62782:38424:84513,CC(C)N(C)Cc1cn(CC2CC(=O)N(C(C(=O)NC3C4CC(F)(F)CC43)C3CCCC3)C2)nn1,GWKKSDUYTJTLDW-UHFFFAOYSA-N
-rxn:3:62782:5160:95827,CC(Cc1c(F)cccc1F)c1cn(CC2CC(=O)N(C(C(=O)NCC3(F)COC3)C3CCCC3)C2)nn1,LXAQDROJIKWTKW-UHFFFAOYSA-N
-rxn:3:62782:5274:120779,CC1Sc2ccccc2N=C1SCc1cn(CC2CC(=O)N(C(C(=O)NC3CC4C(C3)C4(F)F)C3CCCC3)C2)nn1,ISEGXXQAOKWVRJ-UHFFFAOYSA-N
-rxn:3:62782:6450:110168,C=C(C)Cn1cc(-c2cn(CC3CC(=O)N(C(C(=O)NCC4(F)CC(F)(F)C4)C4CCCC4)C3)nn2)cn1,LNEOTUBXJWCLSW-UHFFFAOYSA-N
-rxn:3:62782:6450:126993,C=C(C)Cn1cc(-c2cn(CC3CC(=O)N(C(C(=O)NC4CC(F)(F)C4C)C4CCCC4)C3)nn2)cn1,YUZBUXBIHCXUFR-UHFFFAOYSA-N
-rxn:3:62782:6450:136687,C=C(C)Cn1cc(-c2cn(CC3CC(=O)N(C(C(=O)NCC(C)(F)F)C4CCCC4)C3)nn2)cn1,MXHTWPQLGVKQES-UHFFFAOYSA-N
-rxn:3:62782:6450:72661,C=C(C)Cn1cc(-c2cn(CC3CC(=O)N(C(C(=O)NC4CC(F)(F)C4(C)C)C4CCCC4)C3)nn2)cn1,YNULLCQMORMWEL-UHFFFAOYSA-N
-rxn:3:62782:6450:75506,C=C(C)Cn1cc(-c2cn(CC3CC(=O)N(C(C(=O)NC4CCC(F)(F)c5ccccc54)C4CCCC4)C3)nn2)cn1,SUECFYVVGABINV-UHFFFAOYSA-N
-rxn:3:62782:7075:120779,CN1CCN(c2ncccc2-c2cn(CC3CC(=O)N(C(C(=O)NC4CC5C(C4)C5(F)F)C4CCCC4)C3)nn2)CC1,GFADJMIWOLPWRB-UHFFFAOYSA-N
-rxn:3:62782:8620:92436,CN(C)C1(c2cn(CC3CC(=O)N(C(C(=O)NCc4ccc5ccsc5c4)C4CCCC4)C3)nn2)CCC(F)(F)CC1,UUQYFUSRLCBBPB-UHFFFAOYSA-N
-rxn:3:62784:16779:83784,Cc1c(-c2cn(CC3CC(=O)N(C(C(=O)NC4(Cc5ccsc5)COC4)C4CCCCC4)C3)nn2)cnn1CC(F)(F)F,RIOIQVBZANCKEB-UHFFFAOYSA-N
-rxn:3:62784:35117:101983,C=C(C)c1cn(CC2CC(=O)N(C(C(=O)NCc3ccccc3C3CC3(F)F)C3CCCCC3)C2)nn1,SJKDUKIBOSBRGN-UHFFFAOYSA-N
-rxn:3:62784:35117:102306,C=C(C)c1cn(CC2CC(=O)N(C(C(=O)NCC(F)(F)c3sccc3C)C3CCCCC3)C2)nn1,YZAIAFSZXMMEIC-UHFFFAOYSA-N
-rxn:3:62784:35117:116167,C=C(C)c1cn(CC2CC(=O)N(C(C(=O)NCCC(F)(F)c3sccc3C)C3CCCCC3)C2)nn1,VNSJEWKFFOAZBE-UHFFFAOYSA-N
-rxn:3:62784:35117:117026,C=C(C)c1cn(CC2CC(=O)N(C(C(=O)Nc3ccc(OC4CC4(F)F)cc3)C3CCCCC3)C2)nn1,JFAQKDCLOJKTSZ-UHFFFAOYSA-N
-rxn:3:62784:37896:116712,CN(C)c1ccc(-c2cn(CC3CC(=O)N(C(C(=O)NCC4CC(F)(F)C4(F)F)C4CCCCC4)C3)nn2)nc1,HFBUVXZLKOZWIA-UHFFFAOYSA-N
-rxn:3:62784:37896:136449,CN(C)c1ccc(-c2cn(CC3CC(=O)N(C(C(=O)NCCC(C)(F)F)C4CCCCC4)C3)nn2)nc1,RGMDXSNZGRFZGU-UHFFFAOYSA-N
-rxn:3:62784:37896:72348,CN(C)c1ccc(-c2cn(CC3CC(=O)N(C(C(=O)NCC4CSCC4(F)F)C4CCCCC4)C3)nn2)nc1,YRAXJZMZEWDGGP-UHFFFAOYSA-N
-rxn:3:62784:5906:120779,Cc1nc2ccccn2c1SCc1cn(CC2CC(=O)N(C(C(=O)NC3CC4C(C3)C4(F)F)C3CCCCC3)C2)nn1,PEQNYWFUVWPZKJ-UHFFFAOYSA-N
-rxn:3:62784:5906:85432,Cc1nc2ccccn2c1SCc1cn(CC2CC(=O)N(C(C(=O)NC3CCCC4C3C4(F)F)C3CCCCC3)C2)nn1,KJVNWDQAIFHNOT-UHFFFAOYSA-N
-rxn:3:62784:6382:73295,CN(C)c1ccnc(-c2cn(CC3CC(=O)N(C(C(=O)NC4C(C)(C)C4(F)F)C4CCCCC4)C3)nn2)n1,RSNBSTCFNYJROM-UHFFFAOYSA-N
-rxn:3:62784:6450:136687,C=C(C)Cn1cc(-c2cn(CC3CC(=O)N(C(C(=O)NCC(C)(F)F)C4CCCCC4)C3)nn2)cn1,YNRXREZRVSJTJU-UHFFFAOYSA-N
-rxn:3:62784:6471:100659,CC(C)=CCn1cc(-c2cn(CC3CC(=O)N(C(C(=O)NC4C(C)C4(F)F)C4CCCCC4)C3)nn2)cn1,BCLRILIKVOADCZ-UHFFFAOYSA-N
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-rxn:3:62824:6471:81196,CC(C)=CCn1cc(-c2cn(CC3CC(=O)N([C@@H](C(=O)NCC4CC(F)(F)CO4)C4=CCC=CC4)C3)nn2)cn1,YXCFGVAWBJOSBN-UEFMTQSISA-N
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-rxn:3:62829:35117:116167,C=C(C)c1cn(CC2CC(=O)N([C@H](C(=O)NCCC(F)(F)c3sccc3C)C3CCCCC3)C2)nn1,VNSJEWKFFOAZBE-BVHINDKJSA-N
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-rxn:2:111431:122692,CCS(=O)(=O)C1(CNC2CC3CCC(C2)N3c2cc(OC)ccc2OC)CCCC1,HBPOEBHJTHUREN-UHFFFAOYSA-N
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-rxn:2:113144:139138,CC1(C)C2CCC1(CS(=O)(=O)[O-])C(NOC13CC4CC(CC(C4)C1)C3)C2,YQWAXKQLYLFSNN-UHFFFAOYSA-M
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-rxn:2:113558:126170,CCCC(C(Nc1ccc(OC(C)C)cc1N1CCCC1)c1ccc2c(c1)CCC2)N1CCCC1,WTABGMKBLLNMDJ-UHFFFAOYSA-N
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-rxn:2:115389:168125,CCC(C(Nc1ccc(COC2CCCC2)c2ncccc12)c1ccc2c(c1)CCCC2)N1CCCC1,SGEIVCCUDJYRGB-UHFFFAOYSA-N
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-rxn:2:117893:147466,CCC(NC(C)c1cccc(-c2ccn(C3COC3)n2)c1OC)c1cnc(N2CCN(C)CC2)cc1C,IMGJICDMUJJRKP-UHFFFAOYSA-N
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-rxn:2:124436:116885,CCOS(=O)(=O)C[C@@]12CC[C@@H](CC1Nc1cncnc1N1CCN(CC)CC1)C2(C)C,IFJQRWVSURCJRP-RLPNNEDTSA-N
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-rxn:2:126889:87087,CCC(Nc1ccc(OCCN2CCCC2)nc1)c1cnc(N2CCN(C(C)C)CC2)cc1C,COCXYGNOSKERTM-UHFFFAOYSA-N
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-rxn:2:135433:130197,CCC(Nc1ccc(N2CCN(C(C)C)CC2)c(C)n1)c1ccc(N2CCN(C)CC2)nc1C,FVVRXIWTQIJFFR-UHFFFAOYSA-N
-rxn:2:135433:134221,CCC(Nc1ccc(N2CCN(C(C)C)CC2)c(C)n1)c1cnc(N2CCN(C)CC2)cc1C,KHRXLNCFMJNHPZ-UHFFFAOYSA-N
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-rxn:2:136230:134221,CCC(Nc1cc(N2CCN(C)C(C)(C)C2)ccc1OC)c1cnc(N2CCN(C)CC2)cc1C,JAOLMQZNBWUGRJ-UHFFFAOYSA-N
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-rxn:2:137448:143818,CC(CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)NCC1(C(C(C)C)N(C)C)CC1,RRXVUFXTDJHTTE-UHFFFAOYSA-N
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-rxn:2:138253:110184,CCC(CC)c1cc(N2CCC(NCCC3CCN(c4ccccc4OC)C3(C)C)CC2)ncn1,JKDZHEFGQCIVHM-UHFFFAOYSA-N
-rxn:2:138268:134221,CCC(NCCN1CCC(c2ccc3c(c2)CCN3C)C1)c1cnc(N2CCN(C)CC2)cc1C,WKWZDBHPSYUFNU-UHFFFAOYSA-N
-rxn:2:138781:152258,CCC(NCCC1CN(c2ccccc2OC)CCN1C)c1cccc(-c2cnc(N3CCOCC3)nc2)c1,NVZLMIJIFDLSGX-UHFFFAOYSA-N
-rxn:2:138967:88564,CC(CNC1C2(C)CCC3C2(C)COC31S(=O)(=O)[O-])N(C)C12CC3CC(CC(C3)C1)C2,DLUTWXRUKPIGBF-UHFFFAOYSA-M
-rxn:2:139138:131267,CC1(C)C2CCC1(CS(=O)(=O)[O-])C(NOCC1(C34CC5CC(CC(C5)C3)C4)CC1)C2,VTJJLCFBEXEMHB-UHFFFAOYSA-M
-rxn:2:139138:134275,CC1(C)C2CCC1(CS(=O)(=O)[O-])C(NCCOC13CC4CC(CC(C4)C1)C3)C2,YCQNRIYEZLDWLB-UHFFFAOYSA-M
-rxn:2:139138:137055,CC(C)C12CC3CC(C1)CC(C(C)CNC1CC4CCC1(CS(=O)(=O)[O-])C4(C)C)(C3)C2,YVDURVPSMWCUSY-UHFFFAOYSA-M
-rxn:2:139138:138785,CC(C)CC(C)(NC1CC2CCC1(CS(=O)(=O)[O-])C2(C)C)C12CC3CC(CC(C3)C1)C2,WTATYGMRFWJXSQ-UHFFFAOYSA-M
-rxn:2:139138:138967,CC(CNC1CC2CCC1(CS(=O)(=O)[O-])C2(C)C)N(C)C12CC3CC(CC(C3)C1)C2,IWNWMOKHLPFITF-UHFFFAOYSA-M
-rxn:2:139138:141998,CC1(C)C2CCC1(CS(=O)(=O)[O-])C(NCC#CC1C3CC4CC(C3)CC1C4)C2,NHOWNSHOMADCMJ-UHFFFAOYSA-M
-rxn:2:139166:149807,CC(C)CN1CC(C)CN(C)CC1CCNC(c1ccc(-c2nc3nc[nH]c3c(=O)[nH]2)cc1)C(C)C,HXQKUHTUGWRTDX-UHFFFAOYSA-N
-rxn:2:139651:143955,CCOc1ccc(NC(C)c2c(N3CCN(C)CC3)[nH]c3cc(C)cc(C)c23)c(N2CCCC2)c1,JSXGWPLSVWIHAR-UHFFFAOYSA-N
-rxn:2:140012:145815,CCC(NCCCN1CCC2(CC(OC)CCO2)C1)c1ccc(-c2cnn(C)c2)cc1C,KBSWCUBJUQXVBR-UHFFFAOYSA-N
-rxn:2:140012:169894,COC1CCOC2(CCN(CCCNC(c3ccc(-c4ccc(-n5cccn5)cc4)cc3)C(C)C)C2)C1,KWMYEWDTZSXFRU-UHFFFAOYSA-N
-rxn:2:140012:172384,COC1CCOC2(CCN(CCCNC(c3ccc(-c4cccc(-c5ccno5)c4)cc3)C(C)C)C2)C1,BTULMHDWAOOYLW-UHFFFAOYSA-N
-rxn:2:140326:130197,CCC(Nc1ccc(N2CCCN(C)CC2)cc1C)c1ccc(N2CCN(C)CC2)nc1C,KGKYBBMVYJDOLW-UHFFFAOYSA-N
-rxn:2:140326:148214,COCCn1nc(C)c(-c2ccc3c(c2)CCC(Nc2ccc(N4CCCN(C)CC4)cc2C)C3)c1C,PDOQRKDBUOFTMP-UHFFFAOYSA-N
-rxn:2:140449:93234,CC(CCC1(c2ccc[nH]2)COC1)Nc1ccccc1OCCN1CCC(C)(C)CC1,CNSLCPWDHPAYSG-UHFFFAOYSA-N
-rxn:2:140526:170512,CCCCSc1ncc(-c2cccc3c2C(NCC2(OC)CCC(F)(F)CC2)CC3)cn1,XXELEODBBIQTPL-UHFFFAOYSA-N
-rxn:2:141165:117927,CCc1ccc(-c2cnc(C(NC(C)c3ccc(OC)c(OC4(C)CCN(C)CC4)c3)C(C)C)[nH]2)cc1,SQRIFWOGKWDUQY-UHFFFAOYSA-N
-rxn:2:141302:169450,CCC(C)c1ccccc1-c1cnn(C2CCC(Nc3ccc(N4CCC(F)(F)CC4)cc3OC)CC2)c1,UVRGAUQPJBMKGP-UHFFFAOYSA-N
-rxn:2:141359:160854,CC(C)CCn1c2c(cc(C(C)NCC(C)C(c3ccc4[nH]cnc4c3)N(C)C)c1=O)CN(C)CC2,LGIJLUBCUUOJAB-UHFFFAOYSA-N
-rxn:2:141435:116119,CCC(Nc1ccc(N2CCC(C)C2)nc1OCC(C)C)C1CCN(Cc2ccccc2)C1,LYNZYGGRJZAZKM-UHFFFAOYSA-N
-rxn:2:141435:134221,CCC(Nc1ccc(N2CCC(C)C2)nc1OCC(C)C)c1cnc(N2CCN(C)CC2)cc1C,WAYQNUSTNFXOHK-UHFFFAOYSA-N
-rxn:2:141435:69624,CCC(Nc1ccc(N2CCC(C)C2)nc1OCC(C)C)C1CCCN(Cc2ccccc2)C1,YMHKPQIZGKLMCB-UHFFFAOYSA-N
-rxn:2:142169:143222,CCCC(NC(CCN1CCCN(C)CC1)C(C)C)c1ccc(-c2nc3ccsc3c(=O)[nH]2)cc1,BKRUQVNSRISXQQ-UHFFFAOYSA-N
-rxn:2:142169:163067,CC(C)C(CCN1CCCN(C)CC1)NC(c1ccc(-c2nc3ccsc3c(=O)[nH]2)cc1)C(C)C,OATFYLOBNRDLMM-UHFFFAOYSA-N
-rxn:2:142169:164321,CC(C)C(CCN1CCCN(C)CC1)NC(c1ccc(-c2ccc3[nH][nH]c(=O)c3c2)cc1)C(C)C,JRJNFCGVKGRWCO-UHFFFAOYSA-N
-rxn:2:142169:164912,CC(C)C(CCN1CCCN(C)CC1)NC(c1ccc(-c2cc3c(=O)nc[nH]c3s2)cc1)C(C)C,XQLLNYGRYGDSHC-UHFFFAOYSA-N
-rxn:2:143958:131146,CCc1nn(-c2ccnc(C)c2)c(NC(C)c2ccc(OCC3CCCN(C)C3)c(OC)c2)c1C(C)C,QTCCWSAJELBIPP-UHFFFAOYSA-N
-rxn:2:145173:87087,CCC(Nc1nnc(Cc2ccc(OC)c(C(C)C)c2)[nH]1)c1cnc(N2CCN(C(C)C)CC2)cc1C,HKBFMBBNUGIMOF-UHFFFAOYSA-N
-rxn:2:150885:92442,CCn1cnc2c1c(=O)n(CCNC(c1ccc(OC)c(N3CCOCC3)c1)C(C)C)c(=O)n2C,YDUAXSKZEAUQBJ-UHFFFAOYSA-N
-rxn:2:152475:158733,CCC(NC(C)c1ccc(OC)c(OC(C)C2CCCN(C)C2)c1)c1ncc(-c2ccc(C)cc2C)[nH]1,KTEKASYJSMFCPU-UHFFFAOYSA-N
-rxn:2:161578:113283,CN(c1ccc2[nH]c(=O)[nH]c2c1)C(C)(C)CCNC(c1ccc(CN2CCC2)cc1)C1CCCCC1,OFVHDSMNJYCCSG-UHFFFAOYSA-N
-rxn:2:167112:104349,CCC(C)C(NC(C)c1ccc(OC2CCN(CC)CC2)c(OC)c1)c1nc2cnccc2c(=O)[nH]1,SHBULHYYMWAWRH-UHFFFAOYSA-N
-rxn:2:167112:71954,CCC(C)C(NC(c1cccc(CN2CCN(C)CC2)c1)C1CCC1)c1nc2cnccc2c(=O)[nH]1,ZLFHVIFXNXFTAU-UHFFFAOYSA-N
-rxn:2:65937:171582,CCCC(C(Nc1ccc2c(OCC(C)C)n[nH]c2c1)c1ccc2c(c1)CCCC2)N1CCCC1,BXXNOGGEYYAMLS-UHFFFAOYSA-N
-rxn:2:65946:150130,CCC(C)c1cc(CNC(C)c2ccc(OC(C)C3CCCN(C)C3)c(OC)c2)ncn1,PRCMTCCNBRTSEE-UHFFFAOYSA-N
-rxn:2:66620:125295,CC(C)(CNC1CC(CS(=O)(=O)F)C1)SC1C2CC3CC(C2)CC1C3,MMJMRNNOMJBLTN-UHFFFAOYSA-N
-rxn:2:67403:141435,CCC(Nc1ccc(N2CCC(C)C2)nc1OCC(C)C)c1cnc(N2CCCC2)cc1C,PKALTLVDZQLKDE-UHFFFAOYSA-N
-rxn:2:67412:85065,CCN(C(C)C)C1(CNC2C[C@H]3CC[C@]2(CS(=O)(=O)F)C3(C)C)CCSCC1,MUTSVDILFVRZRY-IIAQOEISSA-N
-rxn:2:67412:95209,CC(C1CC1)N(C)C1(CNC2C[C@H]3CC[C@]2(CS(=O)(=O)F)C3(C)C)CCSC1,VCDALEZVBXMGEY-ZJPHOXGDSA-N
-rxn:2:68267:142933,CCCC(NC1(CCOC)CCC(F)(F)CC1)c1ccc(-c2ccnc(N3CCCC3)n2)cc1,PEAQAEXXFKCSHC-UHFFFAOYSA-N
-rxn:2:68267:172574,CCCC(NC1(CCOC)CCC(F)(F)CC1)c1ccc(-c2cncnc2C2CC2)cc1,AEXKPTGKKXSBLK-UHFFFAOYSA-N
-rxn:2:68310:88564,CN1CCN(C(CNC2C3(C)CCC4C3(C)COC42S(=O)(=O)[O-])c2ccsc2)CC1,VNSLDEQFIJRDDQ-UHFFFAOYSA-M
-rxn:2:68813:135343,CON(C)C(CNC1CC2CCC1(CS(=O)(=O)OC)C2(C)C)C12CC3CC(CC(C3)C1)C2,ACSDQJPCPBHYIL-UHFFFAOYSA-N
-rxn:2:68813:139138,CON(C)C(CNC1CC2CCC1(CS(=O)(=O)[O-])C2(C)C)C12CC3CC(CC(C3)C1)C2,AKBILACXTJUPHS-UHFFFAOYSA-M
-rxn:2:68813:144472,CCCC(NCC(N(C)OC)C12CC3CC(CC(C3)C1)C2)c1ccc(-c2ccc3n[nH]c(=O)n3n2)cc1,KJLPHYYPIFUVHV-UHFFFAOYSA-N
-rxn:2:68813:156686,CCC(NCC(N(C)OC)C12CC3CC(CC(C3)C1)C2)c1ccc(-c2ccc3ncnn3c2)cc1C,PSLMFRXWNKGHDO-UHFFFAOYSA-N
-rxn:2:68813:170756,CCC(NCC(N(C)OC)C12CC3CC(CC(C3)C1)C2)c1ccc(-c2ccc3cn[nH]c3c2)cc1C,XQLKMSMVFWBTCH-UHFFFAOYSA-N
-rxn:2:68813:172816,CCC(NCC(N(C)OC)C12CC3CC(CC(C3)C1)C2)c1ccc(-c2ccc3[nH]ncc3c2C)cc1C,ZHFWXSQLJZVXLH-UHFFFAOYSA-N
-rxn:2:69356:169450,CCC(C)c1ccccc1-c1cnn(C2CCC(Nc3cccc4c3CCN(C(C)CCOC)C4)CC2)c1,HAHISTBHRATNSG-UHFFFAOYSA-N
-rxn:2:70031:143955,CCc1cc(NC(C)c2c(N3CCN(C)CC3)[nH]c3cc(C)cc(C)c23)ccc1N1CCN(C)CC1,KMGFDUVEDYJDPN-UHFFFAOYSA-N
-rxn:2:70685:115758,CC(C)(CONC1CC(S(=O)(=O)F)C1)C1C2CC3CC(C2)CC1C3,MOFLQMIAAUJQCG-UHFFFAOYSA-N
-rxn:2:70685:89817,CCC(CNC1CC(S(=O)(=O)F)C1)(OC)C12CC3CC(CC(C3)C1)C2,QNCKYEFWVZKRIG-UHFFFAOYSA-N
-rxn:2:70780:107203,CCS(=O)(=O)CNC1CCC(C)(C)C23CCC(C2)C(C)(C)C13,FTGZOWNKSXIASO-UHFFFAOYSA-N
-rxn:2:71491:152050,CC(Nc1nc(N2CCN(C)CC2)cc(=O)[nH]1)SCCC#Cc1ccc(C(=O)C(C)C)cc1,KUYUHCDIGAGWKA-UHFFFAOYSA-N
-rxn:2:72215:134221,CCC(NC(C)CN1CCN(c2ccccc2OC)CC1)c1cnc(N2CCN(C)CC2)cc1C,HHVARAZGEODNDJ-UHFFFAOYSA-N
-rxn:2:72215:152258,CCC(NC(C)CN1CCN(c2ccccc2OC)CC1)c1cccc(-c2cnc(N3CCOCC3)nc2)c1,WDSWDWKJNOQCLZ-UHFFFAOYSA-N
-rxn:2:73038:117225,CCC(Nc1ccc(OCCN2CCOCC2)nc1)c1cnc(N2CCN(CC)CC2)cc1C,JNKUJKNFWQSOFF-UHFFFAOYSA-N
-rxn:2:73038:120592,CCC(Nc1cccnc1N1CCN(CCOC)CC1)c1cnc(N2CCN(CC)CC2)cc1C,TYMFPYVVOUFFQF-UHFFFAOYSA-N
-rxn:2:73038:126889,CCC(Nc1ccc(OCCN2CCCC2)nc1)c1cnc(N2CCN(CC)CC2)cc1C,BZYKPEOOAJIECT-UHFFFAOYSA-N
-rxn:2:73038:130033,CCC(Nc1ccc(OCCN2CCOCC2)cn1)c1cnc(N2CCN(CC)CC2)cc1C,YGXVMZVRBRSLJC-UHFFFAOYSA-N
-rxn:2:73082:134221,CCC(Nc1ccc2c(c1)N(CCN(C)C)CCS2)c1cnc(N2CCN(C)CC2)cc1C,WBJIIKUIIICFMN-UHFFFAOYSA-N
-rxn:2:73724:130197,CCC(Nc1ccc(N2CCCN(C)CC2)c(C)c1)c1ccc(N2CCN(C)CC2)nc1C,BFIWHIBKEDTWRQ-UHFFFAOYSA-N
-rxn:2:73760:73038,CCC(Nc1cccnc1N1CC(COC)C(C)(C)C1)c1cnc(N2CCN(CC)CC2)cc1C,KFCYAJXVKYNVDU-UHFFFAOYSA-N
-rxn:2:73980:161272,COCCCN1CCC(C)(C)C(NC(C)c2cccc(-c3cnc(OC(C)C)nc3)c2C)C1,JKWFUWIEOFDQII-UHFFFAOYSA-N
-rxn:2:74273:120015,CCCC(C#CN1CCN(C)CC1)Nc1ccc(OCC(C)C)nc1C,NSMDEDAOWOWSPK-UHFFFAOYSA-N
-rxn:2:74747:85828,CC(CNC1C[C@H]2CC[C@]1(CS(=O)(=O)[O-])C2(C)C)(C1CC1)C1C2CC3CC(C2)CC1C3,ZMAISHZWGOCVGJ-YHTYYUHWSA-M
-rxn:2:74747:89817,CCC(CNC1C[C@H]2CC[C@]1(CS(=O)(=O)[O-])C2(C)C)(OC)C12CC3CC(CC(C3)C1)C2,PTRAYPHBWGVCDA-DGIYLAHPSA-M
-rxn:2:74937:139138,CC1(C)C2CCC1(CS(=O)(=O)[O-])C(NC1(COC34CC5CC(CC(C5)C3)C4)CC1)C2,LFVZPBRFLNSDLY-UHFFFAOYSA-M
-rxn:2:75003:143222,CCCC(NC(CN(C)C1CCN(C)CC1)C(C)C)c1ccc(-c2nc3ccsc3c(=O)[nH]2)cc1,CFZQTUISZZWUQJ-UHFFFAOYSA-N
-rxn:2:75003:149807,CC(C)C(CN(C)C1CCN(C)CC1)NC(c1ccc(-c2nc3nc[nH]c3c(=O)[nH]2)cc1)C(C)C,NTFFHFBOXRHRTG-UHFFFAOYSA-N
-rxn:2:76179:146699,CCC(NCCC[C@H]1CC[C@@H](OC)CC1)c1cccc(-c2ccc(N3CCCC3)nc2)c1,YHPMVDNTXVFIHT-XQWKQLKFSA-N
-rxn:2:76179:155181,CCC(NCCC[C@H]1CC[C@@H](OC)CC1)c1ccc(-c2cnc(N3CCCCC3)nc2)cc1,WUQIDVZCJOCHCR-XQWKQLKFSA-N
-rxn:2:76179:168847,CO[C@H]1CC[C@@H](CCCNC(c2ccccc2)c2ccc(N3CCCCC3)nc2C)CC1,ORYVSEONCOPAII-BBBPCOCTSA-N
-rxn:2:76516:83842,CCC(C)c1n[nH]c(NC(C)c2ccc(OCC3CCCN(C)C3)cc2)c1CC(C)C,ZRAVEFXRSQCPMP-UHFFFAOYSA-N
-rxn:2:76532:103080,CCC(C)c1ccc(C(NCCCN2CCC3(CC2)CC(OC)CCO3)c2cc[nH]n2)cc1,RQAPEHFIQFZWLA-UHFFFAOYSA-N
-rxn:2:77093:143099,CCC(NC(C)c1ccccc1OC1(C)CCN(C)CC1)c1cnc(N2CCc3ccccc3C2)cc1C,RFFOEHIUBFRDFW-UHFFFAOYSA-N
-rxn:2:78142:163343,CCc1ccc(OC)c(C(NC(C)c2ccc(OC)c(-c3cnc(N4CCCC4)nc3)c2)C2CCCN2C)c1,ABUHWDAHTHFANO-UHFFFAOYSA-N
-rxn:2:79723:126889,CCC(Nc1ccc(OCCN2CCCC2)nc1)c1ccc(N2CCN(CC)CC2)nc1C,YFQQGHIQNQFDFL-UHFFFAOYSA-N
-rxn:2:80372:130197,CCC(Nc1cc(C)ccc1N1CCN(C)CC1)c1ccc(N2CCN(C)CC2)nc1C,XPONOEURQMVVBV-UHFFFAOYSA-N
-rxn:2:80895:144920,CCC(C)N1C(CCNC(C)c2c(-c3cccc(OC(C)C)c3)cn[nH]c2=O)CN(C)CCC1(C)C,DQFXHDJGOCRGFX-UHFFFAOYSA-N
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-rxn:2:84962:139138,CC(NC1CC2CCC1(CS(=O)(=O)[O-])C2(C)C)C(C)(C)C12CC3CC(CC(C3)C1)C2,FBWNEYSKEGXZNW-UHFFFAOYSA-M
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-rxn:2:85643:143099,CCC(NCC(CN1CCC(C)(C)CC1)c1ccccc1)c1cnc(N2CCc3ccccc3C2)cc1C,OXQJOLBLHHKIQF-UHFFFAOYSA-N
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-rxn:2:88564:138967,CC(CNC1C2(C)CCC3C2(C)COC31S(=O)(=O)[O-])N(C)C12CC3CC(CC(C3)C1)C2,DLUTWXRUKPIGBF-UHFFFAOYSA-M
-rxn:2:88564:142060,CCC(CNC1C2(C)CCC3C2(C)COC31S(=O)(=O)[O-])N(C)C12CC3CC(CC(C3)C1)C2,VWIQESOKGVGLKF-UHFFFAOYSA-M
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-rxn:2:89481:73038,CCC(Nc1ccc(N2CCC(OC)CC2)c(C)c1)c1cnc(N2CCN(CC)CC2)cc1C,JIJSBJKZEZXUNU-UHFFFAOYSA-N
-rxn:2:89779:153696,CCCC(NCC1(CCOC)CCC(F)(F)CC1)c1ccc(-c2c[nH]c(=O)c3ncn(C)c23)cc1,CRTWGUSGLMHVGQ-UHFFFAOYSA-N
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-rxn:2:90097:73038,CCC(NC1CC(CN(C)Cc2ccc[nH]2)C1)c1cnc(N2CCN(CC)CC2)cc1C,SHQSWWMMVKHXNP-UHFFFAOYSA-N
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-rxn:2:91416:95209,CC(C1CC1)N(C)C1(CNC2CC3CCC2(CS(=O)(=O)F)C3(C)C)CCSC1,VCDALEZVBXMGEY-UHFFFAOYSA-N
-rxn:2:92094:119356,CC(NCC1(c2ncc(C3CCN(C)C3)[nH]2)CC1)c1cnccc1OCC1(C)CCC1,HGJDJGHQKLSWSJ-UHFFFAOYSA-N
-rxn:2:92636:103952,CCS(=O)(=O)C1(CNC2CC3CCCC(C2)N3CCc2ccncc2)CC2(CC2)C1,WAMVANFBEHKIBR-UHFFFAOYSA-N
-rxn:2:92636:130376,CCS(=O)(=O)C1(CNC(c2ccccc2)C2CCC3CCC2N3C)CC2(CC2)C1,AGSJXLLDJICJSP-UHFFFAOYSA-N
-rxn:2:92636:130682,CCS(=O)(=O)C1(CNC(c2ccccc2)C2CN3CCC2CC3)CC2(CC2)C1,HDWQYZNEEKJZMA-UHFFFAOYSA-N
-rxn:2:93123:168490,CCn1ncc(-c2cc(C)ccc2OC)c(C(C)NCC(C)(C)C2(c3cc(C)ccc3OC)COC2)c1=O,ROBXMEHGOVSENH-UHFFFAOYSA-N
-rxn:2:93780:134221,CCC(Nc1ccc(OCCN2CCC(C)CC2)nc1)c1cnc(N2CCN(C)CC2)cc1C,QQPWOFBCESGMLA-UHFFFAOYSA-N
-rxn:2:93814:139138,CC(C)C(NC1CC2CCC1(CS(=O)(=O)[O-])C2(C)C)C12CC3CC(CC(C3)C1)C2,WCIPJOGDMYIWQW-UHFFFAOYSA-M
-rxn:2:95209:115972,CC(C1CC1)N(C)C1(CNC2C[C@H]3CC[C@@]2(CS(=O)(=O)F)C3(C)C)CCSC1,VCDALEZVBXMGEY-DTIHNSBJSA-N
-rxn:2:96088:139138,CC1(C)C2CCC1(CS(=O)(=O)[O-])C(NCCC1(C3C4CC5CC(C4)CC3C5)CC1)C2,LYSFTCNUSSCVMK-UHFFFAOYSA-M
-rxn:2:97794:163067,CC(C)C(NCC1(C(C2CCN(C)CC2)N(C)C)CC1)c1ccc(-c2nc3ccsc3c(=O)[nH]2)cc1,KZZZQTCEFIDNQV-UHFFFAOYSA-N
-rxn:2:98334:81090,CC(C)c1cc(NC(C)c2ccc(N3CCN(C)CC3)s2)nc(N2CCN(C)CC2)n1,GLIPAXDNMDEDMP-UHFFFAOYSA-N
-rxn:2:98451:139613,CCC(C)C(NC(C)Oc1cccc(OC)c1C(=O)C(C)(C)C)c1n[nH]c(C(C)C)n1,PPIBANPZNNDWJK-UHFFFAOYSA-N
-rxn:2:98725:149985,CCCN1CCN(c2ccc(OC)cc2NC(c2ccccc2)c2cnc(N3CCOCC3)cc2C)CC1,UHOYHOFMYCKSDE-UHFFFAOYSA-N
-rxn:2:98833:71364,CCc1cc(NC(CC)CN2CCN(c3ncccn3)CC2)c(OC)cc1N1CCOCC1,FRSWTOPCOJGGEU-UHFFFAOYSA-N
-rxn:2:99024:155181,CCC(NCCN1CCC(C)(COC)CC1)c1ccc(-c2cnc(N3CCCCC3)nc2)cc1,RKHMWULEQFLHMH-UHFFFAOYSA-N
-rxn:2:99573:120015,CCCC(C#CN1CCN(C)CC1)Nc1ccc(OCCC(C)C)nc1,QVDDMHZATFIXIN-UHFFFAOYSA-N
-rxn:2:99758:114642,CCS(=O)(=O)OC[C@H]1CCC(NCC(C)(CC2C3CC4CC(C3)CC2C4)OC)C1,DBWXOYRCBQLPFU-ZVKOYPPWSA-N
-rxn:2:100223:162687,COc1ccc2ccccc2c1C(CN1CCC(C)CC1)NCC(C)(C)Cc1ncc(C2CCCCC2)[nH]1,VLKQRGMEXYUYEC-UHFFFAOYSA-N
-rxn:2:100260:116821,CCC(Nc1cnc(OCC2CCN(C)CC2)nc1)C(c1ccc2c(c1)OCCO2)C(C)C,RMPJYHIJNUMPJD-UHFFFAOYSA-N
-rxn:2:100423:171523,CCC(NCC(C)(CC)N1CCC2(CCCCC2)CC1)c1ccc(-c2cc(C)c3ncccc3c2)cc1C,XYIZOVPJTSYFNJ-UHFFFAOYSA-N
-rxn:2:100423:172782,CCC(NCC(C)(CC)N1CCC2(CCCCC2)CC1)c1cccc(-c2ccc3cccnc3c2)c1,OUFDWUPQXVIKIF-UHFFFAOYSA-N
-rxn:2:100423:173118,CCC(NCC(C)(CC)N1CCC2(CCCCC2)CC1)c1ccc(-c2cc3cn[nH]c3cc2C)cc1,OHBHLSQYTSONDV-UHFFFAOYSA-N
-rxn:2:100454:95733,CCCC1CCC(Cc2cnn(C)c2)(NC(C)c2ccc(OCC3(C)COC3)cc2)CC1,FLEPFMYJJNSHEN-UHFFFAOYSA-N
-rxn:2:101106:131786,CCCc1cc(NC(C)c2cccc(C(F)C3CCN(C)CC3)c2)nn1C1CCSCC1,ITGSZKXYPJYAHC-UHFFFAOYSA-N
-rxn:2:101149:168373,CCCC[C@]1(NC2CCC(N(C)c3ccc4c(c3)ncn4C)CC2)CC[C@H](C(C)(C)C)CC1,DXHISRVBXRNKKN-HHLKQERSSA-N
-rxn:2:101553:107357,CCC(Nc1ccc(CN2CCN(C)CC2)c(C2CC2)c1)c1ccc(N2CCCCCC2)nc1C,CJTBSSHPJKDQLR-UHFFFAOYSA-N
-rxn:2:101788:135747,CCN1CCN(c2nc(C)c(C(C)Nc3ccc(OCC4CC(F)C4)nc3)c(C)n2)CC1,NEIQIJNOJCAUST-UHFFFAOYSA-N
-rxn:2:103401:116370,CCCC1CCC(CCC2CCC(Nc3c(C)cccc3CC)CC2)CC1,OMGHLJJWMMGOAH-UHFFFAOYSA-N
-rxn:2:104200:125863,CCN1CCN(c2ncc(C(C)NCC3CCN(c4ccccc4OC)CC3)c(C)n2)CC1,CIVUMRCQULVIFU-UHFFFAOYSA-N
-rxn:2:104821:112581,CC(NCC1CN(C(C)(C)C)C1)c1ccc(OCC2CCCCC2)cc1,RAKXUJGNHCQMSA-UHFFFAOYSA-N
-rxn:2:104835:154947,CCOCC1(CNC(CN2CCC(N(C)C)CC2)c2c[nH]c3ccccc23)CC2(CC2)C1,QCTRYEUYMDQAHJ-UHFFFAOYSA-N
-rxn:2:105166:127449,CCC(C)(CNC1c2ccccc2OCC12CCC2)OC1CCC(C)CC1,ISPVXPJDBLDIQV-UHFFFAOYSA-N
-rxn:2:105166:132033,CCC(C)(CNC1c2ccccc2CC12CCCCC2)OC1CCC(C)CC1,HYSUCEKLIUPNTJ-UHFFFAOYSA-N
-rxn:2:105166:136251,CCC(C)(CNC1CCC12CC(c1ccccc1)C2)OC1CCC(C)CC1,HZTRLZWVWDDASL-UHFFFAOYSA-N
-rxn:2:105477:120191,CC(Cc1ncn2c1CC(N(C)C)CC2)NC1CC2(CC(COCc3ccccc3)C2)C1,STGZZCRVECAOPM-UHFFFAOYSA-N
-rxn:2:106047:106835,COc1ccc(C(Nc2cnc(N3CCC(CN(C)C)CC3)c(C)c2)C(C)(C)N2CCOCC2)cc1,KLYGJPKOARLXMT-UHFFFAOYSA-N
-rxn:2:106445:153933,CCN1CCC(CNC2CCc3cc(-c4ccn(C5COC5)n4)c(OC)cc32)(N(C)C)CC1,OWOYTRCLWUFNKC-UHFFFAOYSA-N
-rxn:2:106445:157976,CCN1CCC(CNC2CCC(c3ccc(-c4ccn(C5COC5)n4)cc3)CC2)(N(C)C)CC1,MGGSQTQKILIUFC-UHFFFAOYSA-N
-rxn:2:106868:170497,CCC(NCCN1CC(COC)C2(CCCCC2)C1)c1cccc(-c2cc3cn[nH]c3cc2C)c1,AOQSCDXTDLZURT-UHFFFAOYSA-N
-rxn:2:106868:170756,CCC(NCCN1CC(COC)C2(CCCCC2)C1)c1ccc(-c2ccc3cn[nH]c3c2)cc1C,ZBLJHFIGTCDFSN-UHFFFAOYSA-N
-rxn:2:106868:172816,CCC(NCCN1CC(COC)C2(CCCCC2)C1)c1ccc(-c2ccc3[nH]ncc3c2C)cc1C,NHIFSXWTCNWSOA-UHFFFAOYSA-N
-rxn:2:106868:173118,CCC(NCCN1CC(COC)C2(CCCCC2)C1)c1ccc(-c2cc3cn[nH]c3cc2C)cc1,UHXTYIIQEUAXIW-UHFFFAOYSA-N
-rxn:2:107310:134681,CC1(C)Cc2[nH]c(C3CC3)nc2C(N[C@@H](c2ccc(O[Si](C)(C)C)cc2)C2CCC2)C1,NVAVQPCZXQPMNR-JFGZAKSSSA-N
-rxn:2:107357:143480,CCC(NC1(C(c2ccc3oc(=O)[nH]c3c2)N(C)C)CC1)c1ccc(N2CCCCCC2)nc1C,RTSBKWLJXRISDE-UHFFFAOYSA-N
-rxn:2:107602:116804,CCC[C@H]1CC[C@H](C2CCC(Nc3cccc(N4CCC(OCC(C)C)CC4)c3)CC2)CC1,MWIFOHYAGXCEJY-UJLKWHDZSA-N
-rxn:2:107617:168022,CCC1CCC(NC(CCN(C)C)c2ccc3cc(OC)ccc3c2)(c2n[nH]c(C3CC3)n2)CC1,KJIHYCOWLSEVIC-UHFFFAOYSA-N
-rxn:2:110235:132133,CCC1CCC(c2ccc(NC3CCC(OCC(C)C)CC3)cc2)CC1,DHCDDVRUUCLNGB-UHFFFAOYSA-N
-rxn:2:110235:147764,CC(C)COC1CCC(NCC(c2ccc3[nH]c(C4CC4)nc3c2)N(C)C)CC1,NHKBWVKSCDOZMZ-UHFFFAOYSA-N
-rxn:2:110235:86462,CCC1CCC(c2cccc(NC3CCC(OCC(C)C)CC3)c2)CC1,KJFJBIIRPYFMOX-UHFFFAOYSA-N
-rxn:2:111538:155971,CC(N[C@H]1CC[C@H](OS(C)(=O)=O)CC1)c1ccnc(-c2ccnc(N3CCN(C)CC3)c2)c1,KQFRHIHDOACKDH-ZIQGHWNSSA-N
-rxn:2:111538:157836,CC(N[C@H]1CC[C@H](OS(C)(=O)=O)CC1)c1ccc(-c2ccnc(N3CCOCC3)c2)s1,FXEZDRPBSOHDJD-YGXOWLSWSA-N
-rxn:2:111610:164290,Cc1[nH]c2ccccc2c1C(CN1CCN(C)CC1)NC1(COS(=O)(=O)[O-])CCCC1,PARLHXNHRSRXSJ-UHFFFAOYSA-M
-rxn:2:112507:149056,COC1CCOC2(CCN(CCNC(C)c3cc4cc(-c5ccc(C)cn5)ccc4oc3=O)CC2)C1,ROHXTYYXTCGLIC-UHFFFAOYSA-N
-rxn:2:112507:157340,C=C=Cc1ccc(C(NCCN2CCC3(CC2)CC(OC)CCO3)c2cccnc2)cc1,BLULZQLCBQRBKT-UHFFFAOYSA-N
-rxn:2:112507:169870,CCOc1cc(C)cc(-c2ccc3[nH]cc(C(C)NCCN4CCC5(CC4)CC(OC)CCO5)c3c2)c1,VJUBKDYADFFJHA-UHFFFAOYSA-N
-rxn:2:112507:172723,CCc1ccc2nc(C(C)C)cc(C(C)NCCN3CCC4(CC3)CC(OC)CCO4)c2c1,AMCHFICBBXJGNE-UHFFFAOYSA-N
-rxn:2:112507:172816,CCC(NCCN1CCC2(CC1)CC(OC)CCO2)c1ccc(-c2ccc3[nH]ncc3c2C)cc1C,VNKKKLLRHCORNC-UHFFFAOYSA-N
-rxn:2:112507:97950,COC1CCOC2(CCN(CCNC(CN(C)Cc3ccccn3)c3ccco3)CC2)C1,DWJHXZMSCAMOCL-UHFFFAOYSA-N
-rxn:2:113474:104349,CCN1CCC(Oc2ccc(C(C)NCC3CCN(Cc4ccncc4)CC3(C)C)cc2OC)CC1,PODPZBQJJNULJJ-UHFFFAOYSA-N
-rxn:2:113527:155334,CCOc1ccc2c(c1)c(C(NCc1ccnc(N3CCC(N(C)C)CC3)n1)C1CCC1)cn2C,YXWMPSLORFBUAX-UHFFFAOYSA-N
-rxn:2:114498:147135,CCC(CN1CCC(N(C)C)CC1)NCC(c1ccc2ccc(C)cc2n1)C1CC1,UALIPJPLRKLKEF-UHFFFAOYSA-N
-rxn:2:114498:168277,CCC(CN1CCC(N(C)C)CC1)NC(C)C1(c2ccc3oc(=O)[nH]c3c2)COC1,BREZOGQRGKVOMR-UHFFFAOYSA-N
-rxn:2:114816:130197,CCC(NC1CN(C)CC1c1ccc2c(c1)OCO2)c1ccc(N2CCN(C)CC2)nc1C,WPQYQVGEGJRFBF-UHFFFAOYSA-N
-rxn:2:114951:144809,CCC(NCCCN1CCCC2(CC(OC)CCO2)C1)c1ccc(-c2cccc3cn[nH]c23)cc1,CPTNRBQHEOZRFI-UHFFFAOYSA-N
-rxn:2:114951:170756,CCC(NCCCN1CCCC2(CC(OC)CCO2)C1)c1ccc(-c2ccc3cn[nH]c3c2)cc1C,RLHRNSVQTUEAAN-UHFFFAOYSA-N
-rxn:2:114951:172816,CCC(NCCCN1CCCC2(CC(OC)CCO2)C1)c1ccc(-c2ccc3[nH]ncc3c2C)cc1C,HIROPODDEFWTIS-UHFFFAOYSA-N
-rxn:2:115030:131786,CCCCn1nc2c(c1NC(C)c1cccc(C(F)C3CCN(C)CC3)c1)CCCC2,SADAWCPWLJNKKZ-UHFFFAOYSA-N
-rxn:2:115182:147508,CCC(C)[C@H](NC(C)c1ccc(OC)c(-c2cnn(C3CCCC3)c2)c1)c1cc(OC)c2c(c1)OCO2,DNBKJORAIMQULY-GBULVANGSA-N
-rxn:2:115504:143097,CC(Nc1cc2c(cc1N1CCN(C)CC1)OCO2)c1cccc(-c2ccnc(N3CCN(C)CC3)c2)n1,QJPDYMGEYRVPOH-UHFFFAOYSA-N
-rxn:2:115633:114474,CCC(C)(CNC1c2ccccc2CC12CCCC2)OC1CCCCC1,JTEOLTIYBYOJDT-UHFFFAOYSA-N
-rxn:2:115974:132904,CCN1CCC(CNC2CCN(CCCN(C)C)C3CCCCC23)(c2cccnc2)CC1,GISDUEMSWGZFBZ-UHFFFAOYSA-N
-rxn:2:116199:87087,CCC(Nc1ccc(OCC2CCOCC2)nc1)c1cnc(N2CCN(C(C)C)CC2)cc1C,NIYLEJYFFFLSQM-UHFFFAOYSA-N
-rxn:2:117050:172816,CCC(NCCN1CCCC2(CC(OC)CCO2)C1)c1ccc(-c2ccc3[nH]ncc3c2C)cc1C,DJBUOINGXWWAER-UHFFFAOYSA-N
-rxn:2:117893:161479,CCC(NC(C)CCC1(c2ccc3[nH]c(=O)[nH]c3c2)COC1)c1cnc(N2CCN(C)CC2)cc1C,PXUCJZRDJCOFQZ-UHFFFAOYSA-N
-rxn:2:118016:154171,CCN1CCC(CNC(C)c2c[nH]c3ncc(-c4c(C)cccc4OC)cc23)(N2CCCC(C)C2)CC1,WRPSLYXXBYZACN-UHFFFAOYSA-N
-rxn:2:118223:130197,CCC(Nc1ccc(OC(C)C)cc1N1CCOCC1)c1ccc(N2CCN(C)CC2)nc1C,FHTCDJPHUNGHPK-UHFFFAOYSA-N
-rxn:2:119271:170973,COCc1ccc(-c2ccc3c(c2)C(NCCc2cnc(CN4CCC(C)CC4)[nH]2)CC(C)(C)O3)cc1,ZKLWXZXVZAHMLB-UHFFFAOYSA-N
-rxn:2:119754:128840,CCC1C(F)(F)C12CCC(Nc1c(C)c(C)nn1CCCN(C)C)CC2,IWIHRQFBMLDNOY-UHFFFAOYSA-N
-rxn:2:120252:163067,CC(C)C(NCC1(N(C)CC2CCCO2)CCN(C)CC1)c1ccc(-c2nc3ccsc3c(=O)[nH]2)cc1,SQCDZSRHNYWLFE-UHFFFAOYSA-N
-rxn:2:121002:106196,CC(NCC1CC(N(C)C)CC(C)(C)C1)c1cnccc1OCCN1CCOCC1,AFXPWHSFDVUAOR-UHFFFAOYSA-N
-rxn:2:121002:99820,CCOc1c(C(C)NCC2CC(N(C)C)CC(C)(C)C2)cnn1CC1CC1,ZKSBAPKEWCHJPN-UHFFFAOYSA-N
-rxn:2:121338:122881,CC(NCCN1CCC(c2nc3ncccc3o2)CC1)c1ccccc1OCC1CCCN(C)C1,VIWUDKWQAQDPMV-UHFFFAOYSA-N
-rxn:2:123001:163067,CC(C)C(NCC1(N2CCCC2CN(C)C)CCN(C)C1)c1ccc(-c2nc3ccsc3c(=O)[nH]2)cc1,ZRLOAQZNUMCZRV-UHFFFAOYSA-N
-rxn:2:124533:168779,COCC1C(F)(F)C12CCC(Nc1c(CN(C)Cc3nccn3C)c(C)nn1C)CC2,VWCCKWYOEDKXMG-UHFFFAOYSA-N
-rxn:2:125092:143480,CC(CC(c1ccccn1)N1CCN(C)CC1)NC1(C(c2ccc3oc(=O)[nH]c3c2)N(C)C)CC1,AEVVOUXUYQQMEX-UHFFFAOYSA-N
-rxn:2:125330:147201,COc1ccc2c(c1)C(NCC(C)(C)CN1CCC3(CCCCC3)CC1)c1ccccc1CO2,AKLDKLVRRWYLSL-UHFFFAOYSA-N
-rxn:2:125693:109961,CCCC(NC(C)(C)C(c1ccc(OC)cc1)N(C)C)C1CCCN(C2CCCC2)C1,NWBOGZOEWZXZAB-UHFFFAOYSA-N
-rxn:2:126559:124710,CC1CCC(NCc2c(C(C)C)cc(C(C)C)[nH]c2=O)C(CN(C)C(C)C)C1,QCCLKRCMYZWMSX-UHFFFAOYSA-N
-rxn:2:127331:143818,CC(CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)NCC1(c2cnc3n2CCOC3)CCOCC1,NFJHQKPUOJKAPM-UHFFFAOYSA-N
-rxn:2:127606:97172,CCCC(NCC1(c2ccc(C(C)C)cc2OC)COC1)C1CCCN(c2cnccn2)C1,UJNCXWVAUWSXTH-UHFFFAOYSA-N
-rxn:2:127889:134268,CCC1CCC(CCC2CCC(NC(c3cccs3)c3nccn3CN(C)C)CC2)CC1,RKLYIBXWLWSJEG-UHFFFAOYSA-N
-rxn:2:128765:145524,CC(NCC(C)(C(C)C)N1CCC(N(C)C)CC1)c1sccc1-c1cnn(C)c(=O)c1,NLHWHNSOVYNMAY-UHFFFAOYSA-N
-rxn:2:128765:157903,CC(NCC(C)(C(C)C)N1CCC(N(C)C)CC1)c1sccc1-c1cn(C)ccc1=O,QLLONDOQRYOSPP-UHFFFAOYSA-N
-rxn:2:128765:165978,CCCn1nc(-c2cccs2)cc(C(C)NCC(C)(C(C)C)N2CCC(N(C)C)CC2)c1=O,LFCLFZUPKIJSPC-UHFFFAOYSA-N
-rxn:2:128765:166176,CC(NCC(C)(C(C)C)N1CCC(N(C)C)CC1)c1ccc(-c2cccs2)n(C)c1=O,GVMGUQYFASMZQM-UHFFFAOYSA-N
-rxn:2:131503:143818,Cc1cc(C2CCCC2)nc(C2(CNC(C)CC(c3ccc4[nH]c(=O)[nH]c4c3)N(C)C)COC2)n1,KUXZFGPHBKHNGJ-UHFFFAOYSA-N
-rxn:2:131745:108244,CCN1CCC(n2cc(NC(C)CCC3(c4cc(C)ccc4OC)COC3)cn2)CC1,MCSBPHLAEQJDPB-UHFFFAOYSA-N
-rxn:2:131745:111097,CCN1CCC(n2cc(NC(CN3CCCC3)c3cc(C)ccc3OC(C)C)cn2)CC1,IUYNIZREVIAMJC-UHFFFAOYSA-N
-rxn:2:131983:162687,COc1ccc2ccccc2c1C(CN1CCC(C)CC1)NCC(C)(C)c1nc(C2CCCC2)c[nH]1,GFTXXCIDKXHDFW-UHFFFAOYSA-N
-rxn:2:132135:123810,CCC1CCN(Cc2cc(NC(CC)c3cnc(N4CCOCC4)c(C)c3)ccc2OC)CC1,HRUXCFILHRVUGE-UHFFFAOYSA-N
-rxn:2:132135:164636,CCC1CCN(Cc2cc(NC(CCN3CCCC(C)C3)c3ccc4[nH]c(C)nc4c3)ccc2OC)CC1,JWJWKLZQRVTZOM-UHFFFAOYSA-N
-rxn:2:132243:71219,CC(C)OCCC(NCc1ccnc(N2CCC(N(C)C)CC2)c1)C1CC1,NVLYFKFHIWQTKM-UHFFFAOYSA-N
-rxn:2:132803:154171,CCN1CCC(CNC(C)c2c[nH]c3ncc(-c4c(C)cccc4OC)cc23)(N2CCOCC2C)CC1,DDMKIMSYWDLDII-UHFFFAOYSA-N
-rxn:2:133266:136559,CCC(NCC1(N2CCOCC2CC)CCN(C)CC1)c1ccc(N2CCCC(F)C2)cc1,MGZFXIBVKQLRIB-UHFFFAOYSA-N
-rxn:2:133266:145815,CCC(NCC1(N2CCOCC2CC)CCN(C)CC1)c1ccc(-c2cnn(C)c2)cc1C,HSEHGQJSBCNNIU-UHFFFAOYSA-N
-rxn:2:133266:166529,CCC1COCCN1C1(CNC(C)c2ccc(-c3ccc4ccc(=O)[nH]c4c3)cn2)CCN(C)CC1,VAPCPQSWNKCMTK-UHFFFAOYSA-N
-rxn:2:133266:167629,CCC1COCCN1C1(CNC(C)c2cccc(OCc3cnn(C)c3)c2)CCN(C)CC1,XGYFFYCFXHAVNJ-UHFFFAOYSA-N
-rxn:2:133599:163067,CC(C)C(NCC1(N(C)C2CCOCC2)CCN(C)CC1)c1ccc(-c2nc3ccsc3c(=O)[nH]2)cc1,RSWYWQLLNUKFPI-UHFFFAOYSA-N
-rxn:2:135833:172542,CCn1nc(C)c(CN2CCC(NC(C)c3c(C)cc(-c4ccc(OCC5CC5)nc4)cc3C)C2)c1C,OWUHEPYJLCEGPW-UHFFFAOYSA-N
-rxn:2:136268:69720,CCCN1CCC(NC(C)c2ccc(CN3CCOCC3)c(OC)c2)(c2ncon2)CC1,DQTMZBYFFFMWNP-UHFFFAOYSA-N
-rxn:2:137027:156370,CCN(C1CCCCC1)C1(CNC(C)CCCc2nc3ccccc3c(=O)[nH]2)CCSC1,UKVXUVDQVYCWNI-UHFFFAOYSA-N
-rxn:2:137448:149407,CC(C)C(N(C)C)C1(CNC(CC2=NCCO2)c2ccc3[nH]c(=O)[nH]c3c2)CC1,WDUSUNSIPXDMTJ-UHFFFAOYSA-N
-rxn:2:138340:73038,CCC(Nc1ccc(OC2CC(C)CCC2C(C)C)cn1)c1cnc(N2CCN(CC)CC2)cc1C,CTBRBJTTZHPWCR-UHFFFAOYSA-N
-rxn:2:138340:79723,CCC(Nc1ccc(OC2CC(C)CCC2C(C)C)cn1)c1ccc(N2CCN(CC)CC2)nc1C,DGWCCNGYSFMUKY-UHFFFAOYSA-N
-rxn:2:138717:130197,CCC(Nc1cc(C)ccc1N1CCC(C)CC1)c1ccc(N2CCN(C)CC2)nc1C,QSODCARGEWNBOK-UHFFFAOYSA-N
-rxn:2:139406:142878,CCn1nccc1CN1CCC(CNC(C)c2cc(-c3cnn(C4CCOC4)c3)ccc2OC)CC1,ADTDRCANKRJDTK-UHFFFAOYSA-N
-rxn:2:140012:142264,CCC(NCCCN1CCC2(CC(OC)CCO2)C1)c1ccc(-c2ccc3c(cnn3C)c2)s1,ZQYHDDOOMSTWMS-UHFFFAOYSA-N
-rxn:2:140012:144133,CCn1ncc2cc(-c3ccnc(C(C)NCCCN4CCC5(CC(OC)CCO5)C4)c3)ccc21,GREHTXMJXMKKAG-UHFFFAOYSA-N
-rxn:2:140012:153859,CCn1c(-c2ccc(C(C)NCCCN3CCC4(CC(OC)CCO4)C3)nc2)nc2ccccc21,BTZFDQIKPDLEER-UHFFFAOYSA-N
-rxn:2:140012:155181,CCC(NCCCN1CCC2(CC(OC)CCO2)C1)c1ccc(-c2cnc(N3CCCCC3)nc2)cc1,QUVMVJKDIOLQNB-UHFFFAOYSA-N
-rxn:2:140012:155271,COC1CCOC2(CCN(CCCNC(c3ccc(-c4ccnn4C)cc3)C(C)C)C2)C1,BJEGNTNGQKEAIJ-UHFFFAOYSA-N
-rxn:2:140012:162650,CCCC(NCCCN1CCC2(CC(OC)CCO2)C1)c1ccc(-c2cnc3nn(C)cc3c2)cc1,DXKDPEUEULKZAN-UHFFFAOYSA-N
-rxn:2:140012:168367,COC1CCOC2(CCN(CCCNC(c3ccc(-c4cncc(C)c4)cc3)C3CC3)C2)C1,MJIZADFRTONBIL-UHFFFAOYSA-N
-rxn:2:140012:169544,CCC(NCCCN1CCC2(CC(OC)CCO2)C1)c1cccc(-c2ccc3c(c2)ncn3CC)c1,YKKKTAOYEFCYKS-UHFFFAOYSA-N
-rxn:2:140012:170756,CCC(NCCCN1CCC2(CC(OC)CCO2)C1)c1ccc(-c2ccc3cn[nH]c3c2)cc1C,KWXWFRDWVMILCJ-UHFFFAOYSA-N
-rxn:2:140012:172254,CCCC(NCCCN1CCC2(CC(OC)CCO2)C1)c1ccc(-c2ccc3nn(C)c(C)c3c2)cc1,ZZWNFELQPGMIML-UHFFFAOYSA-N
-rxn:2:140012:172816,CCC(NCCCN1CCC2(CC(OC)CCO2)C1)c1ccc(-c2ccc3[nH]ncc3c2C)cc1C,BDLQGFCOIRXAHY-UHFFFAOYSA-N
-rxn:2:140012:173224,CCCC(NCCCN1CCC2(CC(OC)CCO2)C1)c1ccc(-c2cc(C)c3ccccc3n2)cc1,SAMBKNJMVWBJDO-UHFFFAOYSA-N
-rxn:2:140012:173247,CCCC(NCCCN1CCC2(CC(OC)CCO2)C1)c1ccc(-c2cnc(C)c(C)c2)cc1,LFFPQQCLBIQWAJ-UHFFFAOYSA-N
-rxn:2:141755:148870,CCN1CCN(CC(Nc2cnc(N3CCCC(C)C3)c(OC)c2)c2c(C)[nH]c3ccccc23)CC1,CDSPFOHKWFGGGS-UHFFFAOYSA-N
-rxn:2:142146:73038,CCC(Nc1ccc(OCCN2CCOCC2)c(C)c1)c1cnc(N2CCN(CC)CC2)cc1C,NAWZLQYMLJICLI-UHFFFAOYSA-N
-rxn:2:143480:125092,CC(CC(c1ccccn1)N1CCN(C)CC1)NC1(C(c2ccc3oc(=O)[nH]c3c2)N(C)C)CC1,AEVVOUXUYQQMEX-UHFFFAOYSA-N
-rxn:2:143480:79723,CCC(NC1(C(c2ccc3oc(=O)[nH]c3c2)N(C)C)CC1)c1ccc(N2CCN(CC)CC2)nc1C,RNJIOHNMHLAQDK-UHFFFAOYSA-N
-rxn:2:145364:158492,CC(CNC(CN1CCCCC1)c1ccc2[nH]c(C3CC3)nc2c1)C(c1ccc2oc(=O)[nH]c2c1)N(C)C,MVXWFHQQMLMBED-UHFFFAOYSA-N
-rxn:2:149892:82094,CN1CCN(Cc2cccc(C(NC(C)(C)CN(C)Cc3ccc4oc(=O)[nH]c4c3)C3CC3)c2)CC1,ATEWSOKCLVIUBX-UHFFFAOYSA-N
-rxn:2:150093:92979,CCC(NC(C)(C)CCCc1ccc2ncc(C)cc2c1)C1(c2cc(C)ccc2C)CCN(C)CC1,HBFGTSHSFGCFTJ-UHFFFAOYSA-N
-rxn:2:155450:104349,CCN1CCC(Oc2ccc(C(C)NCC3(c4ncc(-c5ccc(C)c(C)c5)[nH]4)CC3)cc2OC)CC1,USIRQQRPRMEGQX-UHFFFAOYSA-N
-rxn:2:159273:70249,CCCC(Nc1c(C)cc(OCc2ccc(C)cc2)cc1C)C1CCCCN1C1CCCC1,TUPWPTZPYXYLFX-UHFFFAOYSA-N
-rxn:2:159930:117752,CCC1CCN(CC(Nc2ccc3c(c2)nc(C2CC2)n3CC2CC2)c2cc(C)[nH]c2C)CC1,UCNHTLBIJCZMHN-UHFFFAOYSA-N
-rxn:2:160533:104349,CCN1CCC(Oc2ccc(C(C)NCc3ncc(-c4cc5c(cc4C)OCCO5)[nH]3)cc2OC)CC1,AOJYGQUYDAXIAC-UHFFFAOYSA-N
-rxn:2:162245:109961,CCCC(NCc1cc(C)n(Cc2ccc(OC)cc2)c1C)C1CCCN(C2CCCC2)C1,LROSJSGOIZSPPS-UHFFFAOYSA-N
-rxn:2:164681:76539,CC(CCCN(C)C1CCCC1)NC(c1ccc2c(c1)n(C)c(=O)n2C)C1CC1,KZNCNUJOVRHJEU-UHFFFAOYSA-N
-rxn:2:165048:92979,CCC(NCC1(C(c2ccc3ncoc3c2)N(C)C)CC1)C1(c2cc(C)ccc2C)CCN(C)CC1,JOMDMLANXGEUQV-UHFFFAOYSA-N
-rxn:2:165509:117701,CCCC(Nc1ccc2c(c1)c(OCC1CCCO1)nn2C)C1CCCN(Cc2ccc(C)cc2)C1,ZWKFPBCSOSOOTL-UHFFFAOYSA-N
-rxn:2:165509:117752,CCC1CCN(CC(Nc2ccc3c(c2)c(OCC2CCCO2)nn3C)c2cc(C)[nH]c2C)CC1,HQSGFVSWWYLJSK-UHFFFAOYSA-N
-rxn:2:165509:125465,CCCC(Nc1ccc2c(c1)c(OCC1CCCO1)nn2C)C1CCCN(CC2CC2)C1,YREYTRCEDMKFNH-UHFFFAOYSA-N
-rxn:2:165509:90660,CCC(Nc1ccc2c(c1)c(OCC1CCCO1)nn2C)C1CCCN1CC1CC1,AKRLKYYYYSQGRW-UHFFFAOYSA-N
-rxn:2:66244:122578,CC(C)c1cccc(C(C)NCC2(N(C)C)CCC(C(C)(C)C)CC2)n1,UNWUWHUVRWNHHJ-UHFFFAOYSA-N
-rxn:2:66244:72637,CC(C)C(NCC1(N(C)C)CCC(C(C)(C)C)CC1)c1nccn1C,CYMXHAMIGIWUQI-UHFFFAOYSA-N
-rxn:2:66407:119523,CCC(NC(CCCC1CCCCC1)c1ccccn1)c1ccc(N2CCN(C)CC2)nc1C,UYKXLFYRBJAQDP-UHFFFAOYSA-N
-rxn:2:66913:154796,CCC(C)C(NCCN1CCC2(CC(OC)CCO2)C1)c1c[nH]c2cccc(C)c12,NWIGGIYGOWGMPH-UHFFFAOYSA-N
-rxn:2:66913:172816,CCC(NCCN1CCC2(CC(OC)CCO2)C1)c1ccc(-c2ccc3[nH]ncc3c2C)cc1C,YPAFYUWGIMPAAR-UHFFFAOYSA-N
-rxn:2:67412:69033,CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)F)C(NS(=N)(=O)C1CC1)C2,MHGDQCHXYCFBLS-LQYRQWHFSA-N
-rxn:2:67496:119754,CCC1C(F)(F)C12CCC(Nc1c(C)nn(CCN(C)C)c1C)CC2,NQFIRABBKULRGE-UHFFFAOYSA-N
-rxn:2:67735:90265,CCN(C1CC1)C(C)C(Nc1cnc([C@H]2CC[C@H](OC)CC2)cn1)c1cc(C)ccc1C,CONOIRFKMGPPJB-OGWBBZERSA-N
-rxn:2:68267:89892,CCCOc1c(C(C)NC2(CCOC)CCC(F)(F)CC2)cnn1C,AOEZPWWKKZMXBE-UHFFFAOYSA-N
-rxn:2:68813:114642,CCS(=O)(=O)OC[C@H]1CCC(NCC(N(C)OC)C23CC4CC(CC(C4)C2)C3)C1,CPRWOAXLFUIVOZ-LAAAKRMBSA-N
-rxn:2:68924:114642,CCS(=O)(=O)OC[C@H]1CCC(NCC(C)C23CC4CC(C2)CC(N(C)C)(C4)C3)C1,LOZQVPUGIUJNKR-PYOWNBOHSA-N
-rxn:2:69035:87389,CCCCCC(Nc1ccc(N2CCC(N(C)C)CC2)cc1OC)C1CCOC(C)(C)C1,SQYHWJPMDARHEY-UHFFFAOYSA-N
-rxn:2:69566:101888,Cc1cccc(OCC2CC(NCC3(N(C)C)CN4CCC3CC4)C2)n1,ASLOKSYRAMURDY-UHFFFAOYSA-N
-rxn:2:69566:161479,CC(CCC1(c2ccc3[nH]c(=O)[nH]c3c2)COC1)NCC1(N(C)C)CN2CCC1CC2,YRVVEPFPHMLVOC-UHFFFAOYSA-N
-rxn:2:69798:142905,CC(CCNCC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)C1(C2CCN(C)CC2)COC1,CNMRYYQNNKWZPT-UHFFFAOYSA-N
-rxn:2:69850:69566,CC(NCC1(N(C)C)CN2CCC1CC2)c1cnn(C)c1OCC1CC1,ZFBHEZBPYCYNLZ-UHFFFAOYSA-N
-rxn:2:70244:133797,CC(C)OCC1CCC(Nc2ccc(C3OCN4COCC34)cc2)CC1,HYEQPJHEKXVDSN-UHFFFAOYSA-N
-rxn:2:70251:76406,CC(C)C(NCCCN1CCC(N(C)C)CC1)c1nccn1C1CC1,GAAOEHLAQZGFQJ-UHFFFAOYSA-N
-rxn:2:70583:106485,COc1ccc(OC)c(C(CC2=NCCO2)N[C@@H](c2ccc3c(c2)OCO3)C2CCC2)c1,XIEZSVITWOOSKY-GBAXHLBXSA-N
-rxn:2:70685:135789,CCC(C)(CC1C2CC3CC(C2)CC1C3)NC1CC(S(=O)(=O)F)C1,OAHQQFJGSJFHQU-UHFFFAOYSA-N
-rxn:2:71219:132243,CC(C)OCCC(NCc1ccnc(N2CCC(N(C)C)CC2)c1)C1CC1,NVLYFKFHIWQTKM-UHFFFAOYSA-N
-rxn:2:71443:149130,CCc1nc2cc(C(CCN3CCCCC3)NCC3(C4c5ccc(OC)cc5CCN4C)CC3)ccc2[nH]1,ICAFBHMHBTTWNA-UHFFFAOYSA-N
-rxn:2:71469:85874,CC(CCNC(c1ccc(CN2CCN(C)CC2)cc1)C1CCCC1)Sc1nnnn1C,JRDIVVLXXDGDCH-UHFFFAOYSA-N
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-rxn:2:84997:105166,CCC(C)(CNC1c2ccccc2OCC12CC2)OC1CCC(C)CC1,FERUGHIKKWFNIH-UHFFFAOYSA-N
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-rxn:2:89878:145006,Cc1ccc(-c2cnc(CCC(C)N[C@H]3CC[C@H](OCCC(C)C)CC3)[nH]2)c(C)c1C,MHISRDSKBCCFGD-SRXBLUIQSA-N
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-rxn:2:91160:108040,CC(C)CSc1nn(C)cc1NC1CCC(N(C)CCN(C)C)CC1,SQCSMQSDFOEBFY-UHFFFAOYSA-N
-rxn:2:91415:143784,CCC(NC1(c2ncc[nH]2)CC(C)CC(C)(C)C1)c1ccc2oc(=O)c(=O)n(OCC(C)C)c2c1,MJBZRDDJMTWFBC-UHFFFAOYSA-N
-rxn:2:92094:129174,CCOc1ccc(C)cc1C(CC1CC1)NCC1(c2ncc(C3CCN(C)C3)[nH]2)CC1,NBRVOVFNUISNKM-UHFFFAOYSA-N
-rxn:2:92489:130197,CCC(NCCCc1coc(N2CCN(C)CC2)n1)c1ccc(N2CCN(C)CC2)nc1C,HWMIWTXSYJFZBG-UHFFFAOYSA-N
-rxn:2:93123:152258,CCC(NCC(C)(C)C1(c2cc(C)ccc2OC)COC1)c1cccc(-c2cnc(N3CCOCC3)nc2)c1,YEXKRMJCYKOVAD-UHFFFAOYSA-N
-rxn:2:93599:98744,CCCC1(CN(C)C)CCC(Nc2nc(COCC(C)C)cs2)CC1,ZJRZNLNOQFDYAR-UHFFFAOYSA-N
-rxn:2:94662:151812,O=c1[nH]nc(SCC(NCC2(OC34CC5CC(CC(C5)C3)C4)CCCC2)c2cccs2)c(=O)[nH]1,AJTMFNTYVKYOFM-UHFFFAOYSA-N
-rxn:2:95103:142905,CCC(NCC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)C(C)N(C)C1CCOCC1,AJNABXIAXINISU-UHFFFAOYSA-N
-rxn:2:96500:143480,CC(NC1(C(c2ccc3oc(=O)[nH]c3c2)N(C)C)CC1)c1cnccc1OCCC1CCCCC1,VJFOWTHLPQLGOU-UHFFFAOYSA-N
-rxn:2:97317:156370,CCN(C1CCCC1)C1(CNC(C)CCCc2nc3ccccc3c(=O)[nH]2)CCCSC1,PKGZCYACIPMAAJ-UHFFFAOYSA-N
-rxn:2:97794:165978,CCCn1nc(-c2cccs2)cc(C(C)NCC2(C(C3CCN(C)CC3)N(C)C)CC2)c1=O,CUIKVSDHIZXYLN-UHFFFAOYSA-N
-rxn:2:99141:138126,CCC(CN(C)C(C)C)NCC(F)(F)CN1CCCSCC1,BCESDUUECIMDIO-UHFFFAOYSA-N
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-rxn:2:99758:124900,CCS(=O)(=O)C1CCC(NCC(C)(CC2C3CC4CC(C3)CC2C4)OC)CC1,QXLRFSCABKCQGX-UHFFFAOYSA-N
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-rxn:3:11407:52876:83860,Cc1cc(C2CC2CCn2cc(C3CCN(C4CCCC4)CC3)nn2)cnc1C(=O)Nc1cccc(OS(=O)(=O)F)c1,MMSAKEAYCSAJQA-UHFFFAOYSA-N
-rxn:3:11407:65549:151783,O=C(Nc1ccc(OS(=O)(=O)F)c2ccccc12)c1nccnc1N1CC(Cn2cc(C3CCN(C4CCCC4)CC3)nn2)CC1=O,BNGNGVRUBDWEHI-UHFFFAOYSA-N
-rxn:3:12138:62784:96991,CSc1c(NC(=O)C(C2CCCCC2)N2CC(Cn3cc(C(F)(F)c4cccnc4)nn3)CC2=O)c(=O)c1=O,JJHWFOTYRLFVCN-UHFFFAOYSA-N
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-rxn:3:23171:65549:151783,O=C(Nc1ccc(OS(=O)(=O)F)c2ccccc12)c1nccnc1N1CC(Cn2cc(C3CCN(C4CCC4)CC3)nn2)CC1=O,SYLSIVVPRPMSFU-UHFFFAOYSA-N
-rxn:3:23188:65592:100236,Cc1cccc(ONC(=O)Cc2nnc(N3CC(Cn4cc(CC5(C#N)CC(F)(F)C5)nn4)CC3=O)[nH]2)c1,FXMOIZLIKSYIIH-UHFFFAOYSA-N
-rxn:3:23188:65592:136961,CCSc1ccc(NC(=O)Cc2nnc(N3CC(Cn4cc(CC5(C#N)CC(F)(F)C5)nn4)CC3=O)[nH]2)cc1,OHXACFMDIGXIMF-UHFFFAOYSA-N
-rxn:3:23188:65592:77920,CCSc1cccc(NC(=O)Cc2nnc(N3CC(Cn4cc(CC5(C#N)CC(F)(F)C5)nn4)CC3=O)[nH]2)c1,DSXZKKNPZPMSCT-UHFFFAOYSA-N
-rxn:3:23188:65592:80790,CSc1cccc(NC(=O)Cc2nnc(N3CC(Cn4cc(CC5(C#N)CC(F)(F)C5)nn4)CC3=O)[nH]2)c1,AGGNHBBYPFJUIN-UHFFFAOYSA-N
-rxn:3:23188:65592:97321,CC(ONC(=O)Cc1nnc(N2CC(Cn3cc(CC4(C#N)CC(F)(F)C4)nn3)CC2=O)[nH]1)c1ccccc1,CHPYKEBOYOEREO-UHFFFAOYSA-N
-rxn:3:29454:47746:104288,O=C(Nc1cccccc1=O)c1cn(C2CC2)c2c(F)c(-n3cc(C[N+]45CN6CN(CN(C6)C4)C5)nn3)c(F)cc2c1=O,PWTSZYLFGYYLPV-UHFFFAOYSA-O
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-rxn:3:55888:17653:69106,CCCc1cc(-c2cn(CC3CC3c3cnccc3C(=O)NC3CCC(F)(F)c4cc(OC)ccc43)nn2)nn1C1CCCC1,SDKJCWOZOIIDRH-UHFFFAOYSA-N
-rxn:3:55888:38424:120139,CCC(NC(=O)c1ccncc1C1CC1Cn1cc(CN(C)C(C)C)nn1)C1CCC(F)(F)CC1,NXMYRZYFAKLVEW-UHFFFAOYSA-N
-rxn:3:55888:6136:69106,CCn1ncc(-c2cn(CC3CC3c3cnccc3C(=O)NC3CCC(F)(F)c4cc(OC)ccc43)nn2)c1C1CCC1,MYPXFAQYVDLIPI-UHFFFAOYSA-N
-rxn:3:56114:23873:110101,CN1CCC[C@H]1c1cncc(-c2cn(CC3CC3c3ccc(C(=O)NC4CCC(C)(C)c5ccccc54)cc3F)nn2)c1,XWTIMBKNEUPFSZ-HITQDJLDSA-N
-rxn:3:56114:3716:67612,CCc1ccc2c(c1)C(NC(=O)c1ccc(C3CC3Cn3cc(-c4ccnn4C4CC4(F)F)nn3)c(F)c1)CC(C)(C)C2,MBSWBPMWYDHBPB-UHFFFAOYSA-N
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-rxn:3:56129:35963:88284,Cc1cc(F)ccc1-c1ccc(-c2cn(CC3CC3c3ccc(F)cc3C(=O)Nc3ccccc3OC3CC(C)CC(C)(C)C3)nn2)nc1,HSAOEVXAVIOVGT-UHFFFAOYSA-N
-rxn:3:56158:18745:102930,CCc1nn(CC2CC2(F)F)cc1-c1cn(CC2CC2c2ccc(C(=O)N[C@]3(C)C[C@@H](c4ccccc4)C3)c(C)c2)nn1,OXHHOAWLHZXELX-XSMKLLMZSA-N
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-rxn:3:56245:29454:117595,C[C@@H](C(=O)NC1CCCC(F)(F)CC1)n1cc(C2CC2Cn2cc(C[N+]34CN5CN(CN(C5)C3)C4)nn2)cn1,WANMDTLULPPTTP-IMSWZGAWSA-O
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-rxn:3:61917:17625:96607,CC(C)(C)OC[C@@H](C(=O)NC1CC(F)(F)c2ccccc21)n1cc(-c2cc(C3CCC3)n(C3CCSCC3)n2)nn1,FGGJWFZNUFZHAG-WKDCXCOVSA-N
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-rxn:3:61926:17625:75506,CC(C)(C)OC[C@H](C(=O)NC1CCC(F)(F)c2ccccc21)n1cc(-c2cc(C3CCC3)n(C3CCSCC3)n2)nn1,IDZYDIWCOPVZJL-ITCMONMYSA-N
-rxn:3:61926:17625:92399,CC(C)(C)OC[C@H](C(=O)NC1c2ccccc2CC1(F)F)n1cc(-c2cc(C3CCC3)n(C3CCSCC3)n2)nn1,KHWCBPHKGYOLEX-AVJYQCBHSA-N
-rxn:3:61926:17625:96607,CC(C)(C)OC[C@H](C(=O)NC1CC(F)(F)c2ccccc21)n1cc(-c2cc(C3CCC3)n(C3CCSCC3)n2)nn1,FGGJWFZNUFZHAG-LFHRXCRSSA-N
-rxn:3:62284:15470:74279,CC(C)C[C@@H](C(=O)NC1CC1(F)F)n1cc(-c2cn(CCN(C)C)nc2C2CCC2)nn1,MEPLAHPRDFWTPH-OYKVQYDMSA-N
-rxn:3:62284:15470:95501,CC(C)C[C@@H](C(=O)NC1CCC1(F)F)n1cc(-c2cn(CCN(C)C)nc2C2CCC2)nn1,PMXARHZUBMKAOW-XJDOXCRVSA-N
-rxn:3:62466:12049:124541,CN(C)C1(c2cn(C3CCC(C(=O)NCC(F)(F)c4ccsc4)C4CCC43)nn2)CCCCC1,XUSDMOQPNJOKMJ-UHFFFAOYSA-N
-rxn:3:62466:15470:110719,CN(C)CCn1cc(-c2cn(C3CCC(C(=O)NOCC(C)(F)F)C4CCC43)nn2)c(C2CCC2)n1,NCCQHVWNCFGMBQ-UHFFFAOYSA-N
-rxn:3:62466:15470:136449,CN(C)CCn1cc(-c2cn(C3CCC(C(=O)NCCC(C)(F)F)C4CCC43)nn2)c(C2CCC2)n1,NWKOXFAMWLZCQX-UHFFFAOYSA-N
-rxn:3:62466:15470:67280,CN(C)CCn1cc(-c2cn(C3CCC(C(=O)NC4CCC(F)(F)CC4F)C4CCC43)nn2)c(C2CCC2)n1,YGHWEFXFLRMKBJ-UHFFFAOYSA-N
-rxn:3:62466:15470:73295,CN(C)CCn1cc(-c2cn(C3CCC(C(=O)NC4C(C)(C)C4(F)F)C4CCC43)nn2)c(C2CCC2)n1,KERQMQJDXNJBCN-UHFFFAOYSA-N
-rxn:3:62466:15470:81290,CN(C)CCn1cc(-c2cn(C3CCC(C(=O)NC4CCCCC4(F)F)C4CCC43)nn2)c(C2CCC2)n1,TXCFLPXBSSJCDR-UHFFFAOYSA-N
-rxn:3:62466:15470:82628,CN(C)CCn1cc(-c2cn(C3CCC(C(=O)NC(C4CC4)C(C)(F)F)C4CCC43)nn2)c(C2CCC2)n1,GCWIMXSXALEQQO-UHFFFAOYSA-N
-rxn:3:62466:15470:91405,CN(C)CCn1cc(-c2cn(C3CCC(C(=O)NC4(C)CC4(F)F)C4CCC43)nn2)c(C2CCC2)n1,MCTDTPSRKYIDGX-UHFFFAOYSA-N
-rxn:3:62466:15470:94698,CN(C)CCn1cc(-c2cn(C3CCC(C(=O)N[C@@]4(C)CC4(F)F)C4CCC43)nn2)c(C2CCC2)n1,MCTDTPSRKYIDGX-NCEHPKOHSA-N
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-rxn:3:62466:16867:101217,CC(C)(C)Cn1ncc(-c2cn(C3CCC(C(=O)NC4(c5ccccc5)CC4(F)F)C4CCC43)nn2)c1C1CCC1,RQRVFPZRSFJWTO-UHFFFAOYSA-N
-rxn:3:62466:16867:136682,CC(C)(C)Cn1ncc(-c2cn(C3CCC(C(=O)Nc4ccc5c(c4)CCC5(F)F)C4CCC43)nn2)c1C1CCC1,UOUKDPKBSCBQNE-UHFFFAOYSA-N
-rxn:3:62466:16867:66726,CC(C)(C)Cn1ncc(-c2cn(C3CCC(C(=O)Nc4cccc5c4CCC5(F)F)C4CCC43)nn2)c1C1CCC1,VPICPRLXZOMTKR-UHFFFAOYSA-N
-rxn:3:62466:16867:92399,CC(C)(C)Cn1ncc(-c2cn(C3CCC(C(=O)NC4c5ccccc5CC4(F)F)C4CCC43)nn2)c1C1CCC1,LSNCHHAPYGAKKZ-UHFFFAOYSA-N
-rxn:3:62466:17608:66726,CC(C)(C)CCn1nc(-c2cn(C3CCC(C(=O)Nc4cccc5c4CCC5(F)F)C4CCC43)nn2)cc1C1CC1,BNWXKTXKXZGFFX-UHFFFAOYSA-N
-rxn:3:62466:17629:66726,CC(C)(C)Cn1nc(-c2cn(C3CCC(C(=O)Nc4cccc5c4CCC5(F)F)C4CCC43)nn2)cc1C1CCC1,UELDJQGOSCCLNG-UHFFFAOYSA-N
-rxn:3:62466:17639:66726,CCCn1nc(-c2cn(C3CCC(C(=O)Nc4cccc5c4CCC5(F)F)C4CCC43)nn2)cc1C1CCCC1,DIVHRZUPZIOZHD-UHFFFAOYSA-N
-rxn:3:62466:17644:100500,CN(C)CCn1nc(-c2cn(C3CCC(C(=O)NC4CC5CC(F)(F)C5C4)C4CCC43)nn2)cc1C1CCCC1,NVJPNKMHIGLMIP-UHFFFAOYSA-N
-rxn:3:62466:17644:120779,CN(C)CCn1nc(-c2cn(C3CCC(C(=O)NC4CC5C(C4)C5(F)F)C4CCC43)nn2)cc1C1CCCC1,UTPSPWPTVGNVCJ-UHFFFAOYSA-N
-rxn:3:62466:17644:67280,CN(C)CCn1nc(-c2cn(C3CCC(C(=O)NC4CCC(F)(F)CC4F)C4CCC43)nn2)cc1C1CCCC1,VXSWROILSZHIOP-UHFFFAOYSA-N
-rxn:3:62466:17644:73295,CN(C)CCn1nc(-c2cn(C3CCC(C(=O)NC4C(C)(C)C4(F)F)C4CCC43)nn2)cc1C1CCCC1,UAOQWLCYEUOIMO-UHFFFAOYSA-N
-rxn:3:62466:17644:80866,CN(C)CCn1nc(-c2cn(C3CCC(C(=O)N[C@@H]4CC4(F)F)C4CCC43)nn2)cc1C1CCCC1,FCFGZYUIHYNUBK-UAIYKTKKSA-N
-rxn:3:62466:17644:82628,CN(C)CCn1nc(-c2cn(C3CCC(C(=O)NC(C4CC4)C(C)(F)F)C4CCC43)nn2)cc1C1CCCC1,HZQLWDCOTWMMMB-UHFFFAOYSA-N
-rxn:3:62466:17724:117026,CCCn1nc(-c2cn(C3CCC(C(=O)Nc4ccc(OC5CC5(F)F)cc4)C4CCC43)nn2)cc1C1CCCCC1,NUYWRBZSICRQEM-UHFFFAOYSA-N
-rxn:3:62466:17724:136682,CCCn1nc(-c2cn(C3CCC(C(=O)Nc4ccc5c(c4)CCC5(F)F)C4CCC43)nn2)cc1C1CCCCC1,CONZZBJIBSZVDB-UHFFFAOYSA-N
-rxn:3:62466:17724:66726,CCCn1nc(-c2cn(C3CCC(C(=O)Nc4cccc5c4CCC5(F)F)C4CCC43)nn2)cc1C1CCCCC1,NMHXKJPZVYVQAA-UHFFFAOYSA-N
-rxn:3:62466:6257:73295,CN1CCC(N(C)c2cc(-c3cn(C4CCC(C(=O)NC5C(C)(C)C5(F)F)C5CCC54)nn3)ncn2)CC1,YUNYZQUPPMANOP-UHFFFAOYSA-N
-rxn:3:62466:7714:94162,CC(C)c1nnc(-c2cn(C3CCC(C(=O)Nc4ccc(CCC5CCC(F)(F)CC5)cc4)C4CCC43)nn2)s1,BKDLUAAHKGOEHG-UHFFFAOYSA-N
-rxn:3:62466:8620:110874,CN(C)C1(c2cn(C3CCC(C(=O)N[C@@H](c4ccoc4)C4CC4)C4CCC43)nn2)CCC(F)(F)CC1,OHYCEPJMUFPHLS-GGGBIRNISA-N
-rxn:3:62466:8620:117298,CN(C)C1(c2cn(C3CCC(C(=O)Nc4ccc(C#CC5CC5)cc4)C4CCC43)nn2)CCC(F)(F)CC1,SNHFDZHENMSLKV-UHFFFAOYSA-N
-rxn:3:62466:8620:70651,CN(C)C1(c2cn(C3CCC(C(=O)NC(C)(C)c4ccsc4)C4CCC43)nn2)CCC(F)(F)CC1,JMYHMZYMROXKOG-UHFFFAOYSA-N
-rxn:3:62466:8620:70829,CN(C)C1(c2cn(C3CCC(C(=O)NC4CC4c4ccsc4)C4CCC43)nn2)CCC(F)(F)CC1,BDXXBZBCRDNAGK-UHFFFAOYSA-N
-rxn:3:62722:28706:76287,CCC(C(=O)NC(c1sccc1C)C1CCOCC1)N1CC(Cn2cc(-c3cccnc3N3CCC(F)(F)C3)nn2)CC1=O,JBLLEVFDDIGVBV-UHFFFAOYSA-N
-rxn:3:62737:28706:130320,CC[C@@H](C(=O)N[C@H](c1ccsc1)C1CCOCC1)N1CC(Cn2cc(-c3cccnc3N3CCC(F)(F)C3)nn2)CC1=O,KVVIPJMULNQBGA-YOSQAMIOSA-N
-rxn:3:62737:28706:136217,CC[C@@H](C(=O)NC1(c2ccsc2)CCOCC1)N1CC(Cn2cc(-c3cccnc3N3CCC(F)(F)C3)nn2)CC1=O,OUEIZGIKYWELST-JWIMYKKASA-N
-rxn:3:62737:28706:76287,CC[C@@H](C(=O)NC(c1sccc1C)C1CCOCC1)N1CC(Cn2cc(-c3cccnc3N3CCC(F)(F)C3)nn2)CC1=O,JBLLEVFDDIGVBV-PIFVYSLYSA-N
-rxn:3:62774:2123:105077,CC1(c2ccc3c(c2)CCCS3)CC1NC(=O)C(c1ccccc1F)N1CC(Cn2cc(C3CCC(F)(F)C3)nn2)CC1=O,KZRXOLXXRGQRPL-UHFFFAOYSA-N
-rxn:3:62779:7625:89078,N#Cc1c(F)cccc1-c1cn(CC2CC(=O)N(C(C(=O)Nc3ccccc3OCC3CCCCO3)c3cccc(F)c3F)C2)nn1,MPHJFLPUGVPXPS-UHFFFAOYSA-N
-rxn:3:62782:16779:108160,Cc1c(-c2cn(CC3CC(=O)N(C(C(=O)NC(c4cccs4)C4COCCO4)C4CCCC4)C3)nn2)cnn1CC(F)(F)F,YUVZRMVMDJCQPT-UHFFFAOYSA-N
-rxn:3:62782:16779:73742,Cc1c(-c2cn(CC3CC(=O)N(C(C(=O)NC(c4ccsc4)C4CCOCC4)C4CCCC4)C3)nn2)cnn1CC(F)(F)F,AEQSTMDLUZPPAC-UHFFFAOYSA-N
-rxn:3:62782:18519:117166,CCc1cn(CC(F)(F)F)nc1-c1cn(CC2CC(=O)N(C(C(=O)NC3COC3CC)C3CCCC3)C2)nn1,VZGSOXRCVCEZCE-UHFFFAOYSA-N
-rxn:3:62782:8620:125279,CN(C)C1(c2cn(CC3CC(=O)N(C(C(=O)NC4CCOc5ccsc54)C4CCCC4)C3)nn2)CCC(F)(F)CC1,VOGMPPSKUFYSLB-UHFFFAOYSA-N
-rxn:3:62784:16779:108160,Cc1c(-c2cn(CC3CC(=O)N(C(C(=O)NC(c4cccs4)C4COCCO4)C4CCCCC4)C3)nn2)cnn1CC(F)(F)F,ZGQZTCRISWQCGI-UHFFFAOYSA-N
-rxn:3:62784:16779:72244,Cc1c(-c2cn(CC3CC(=O)N(C(C(=O)Nc4ccc5c(c4)OCCS5)C4CCCCC4)C3)nn2)cnn1CC(F)(F)F,ZQCVRMWNJTWMLH-UHFFFAOYSA-N
-rxn:3:62824:28437:81196,CC(Sc1nncs1)c1cn(CC2CC(=O)N([C@@H](C(=O)NCC3CC(F)(F)CO3)C3=CCC=CC3)C2)nn1,IXYXILOTYQREDN-TZMLOSDDSA-N
-rxn:3:62829:14759:106333,O=C(Nc1csc2ccccc2c1=O)[C@H](C1CCCCC1)N1CC(Cn2cc(-c3cnn(CC4CC4(F)F)c3)nn2)CC1=O,GVSRPOJXGMUBFL-CWYPTGNGSA-N
-rxn:3:62829:38813:81914,CCSc1ccc(OC)c(NC(=O)[C@H](C2CCCCC2)N2CC(Cn3cc(-c4cnc(C(F)(F)F)nc4)nn3)CC2=O)c1,ZZAXNJXFPJMZBZ-IHZSNKTASA-N
-rxn:3:64505:28569:74893,CC1(C)CCCC(c2ccccc2NC(=O)c2ccc(F)c(N3CC(Cn4cc(-c5cccc(C6CC6)n5)nn4)CC3=O)c2)C1,QFHCXBBHBLVRNB-UHFFFAOYSA-N
-rxn:3:6504:59852:120368,C=Cc1cnn(Cc2cn([C@@H]3C=CC[C@@H](C(=O)N4CCOC(C(=O)NOCC5CC(F)(F)C5)C4)C3)nn2)c1,OGNAXFXXWXEQLA-ZJBPFHOOSA-N
-rxn:3:65149:3633:120077,CC[C@@H](NC(=O)c1cncc(N2CC(Cn3cc(-c4cc(C(F)(F)F)ccn4)nn3)CC2=O)c1)c1ccc(OC)c(OC)c1,WOIZFMWCDZIDMK-WBPHRXDCSA-N
-rxn:3:65281:7805:76623,CC1(C)C(NC(=O)c2cccc(N3CC(Cn4cc(-c5csc(CF)n5)nn4)CC3=O)n2)CC1OCc1ccccc1,LSEFZBAJVPDIGK-UHFFFAOYSA-N
-rxn:3:65549:18160:83860,O=C(Nc1cccc(OS(=O)(=O)F)c1)c1nccnc1N1CC(Cn2cc(-c3c4c(nn3C3CCSCC3)CCSC4)nn2)CC1=O,YKBOMHWLSRGQNJ-UHFFFAOYSA-N
-rxn:3:8620:49937:138378,COC1CC2CC(NC(=O)c3[nH]ncc3C3C(Cn4cc(C5(N(C)C)CCC(F)(F)CC5)nn4)C3(F)F)C2C1,JSTIVNWFSQGHRI-UHFFFAOYSA-N
-rxn:2:100699:69720,CCN1CCN(Cc2ccc(NC(C)c3ccc(CN4CCOCC4)c(OC)c3)nc2)CC1,NVMWMAZXYWMTLO-UHFFFAOYSA-N
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-rxn:2:132135:165331,CCC1CCN(Cc2cc(NC(CC)c3cccc(-c4ccnc(N5CCOCC5)c4)c3)ccc2OC)CC1,YVWOIRAGVWJWMH-UHFFFAOYSA-N
-rxn:2:132135:169450,CCC1CCN(Cc2cc(NC3CCC(n4cc(-c5ccccc5C(C)CC)cn4)CC3)ccc2OC)CC1,VHXHZQIMEXRZQV-UHFFFAOYSA-N
-rxn:2:132413:142268,COC1CN(c2ccc(NC(C#CN3CCOCC3)c3ccc4c(c3)OCO4)cc2)CC1OC,VGFLERUTEOECEF-UHFFFAOYSA-N
-rxn:2:133266:155708,CCC1COCCN1C1(CNC2COc3cc(OCc4cccnc4)ccc32)CCN(C)CC1,YLOBSZARWDWFHT-UHFFFAOYSA-N
-rxn:2:133266:160789,CCC1COCCN1C1(CNC(COC)c2ccc3[nH]c(C(C)C)nc3c2)CCN(C)CC1,MMQRXYVUNUMJLD-UHFFFAOYSA-N
-rxn:2:133266:170693,CCC1COCCN1C1(CNC(c2ccccc2)c2ccc3cc(OC)ccc3c2)CCN(C)CC1,ZTNLNVPVAVDCDA-UHFFFAOYSA-N
-rxn:2:133629:148477,CCOC1CCC(N2CCC(NC(C)c3ccc4c(c3)CCc3ccccc3-4)CC2)CC1,NEWIAYCAVMRIOD-UHFFFAOYSA-N
-rxn:2:134366:127781,CCN1CCC(CNC2CC(COc3ccc(C)nn3)C2)(N2CCC(C)C2)CC1,IMSCCYZNYUITCR-UHFFFAOYSA-N
-rxn:2:135433:148214,COCCn1nc(C)c(-c2ccc3c(c2)CCC(Nc2ccc(N4CCN(C(C)C)CC4)c(C)n2)C3)c1C,KAHOUWVSGGBITE-UHFFFAOYSA-N
-rxn:2:136210:115389,CCC(C(Nc1c2c(nn1C)CCN(CCCOC)C2)c1ccc2c(c1)CCCC2)N1CCCC1,WJACXJNMWOEDBZ-UHFFFAOYSA-N
-rxn:2:136737:138760,CCOCC1CCN(c2ccc(NC3CCCN(CC(C)C)CC3)cc2)CC1,GEBNSKKUHTVADP-UHFFFAOYSA-N
-rxn:2:136742:155396,CC(=O)c1ccc(C2C(CSC(C)NCc3c(C)nn(C4CCCCC4)c3C)C2(F)F)nc1,MJOJEDRAQKMCFI-UHFFFAOYSA-N
-rxn:2:137808:168851,CCc1ccc(OC)c(C(C#CN2CCCC2)Nc2nn(C3CCC3)cc2C(C)C)c1,KTYKYZPDNNFANR-UHFFFAOYSA-N
-rxn:2:138196:104349,CCN1CCC(Oc2ccc(C(C)Nc3ccc(N4CCN(C)CC4)cn3)cc2OC)CC1,VRNVTCZCUQKXEW-UHFFFAOYSA-N
-rxn:2:138307:171582,CCCC(C(Nc1n[nH]c2cc(OCC3CC3)ccc12)c1ccc2c(c1)CCCC2)N1CCCC1,FPIQYDJQDLVFCB-UHFFFAOYSA-N
-rxn:2:138487:171226,CC(C)Oc1ccc2[nH]cc(C3CCC(Nc4ccc(COCC5CCCCO5)cn4)CC3)c2c1,XSIVIXKKFGRCQQ-UHFFFAOYSA-N
-rxn:2:138760:136737,CCOCC1CCN(c2ccc(NC3CCCN(CC(C)C)CC3)cc2)CC1,GEBNSKKUHTVADP-UHFFFAOYSA-N
-rxn:2:140012:149619,COC1CCOC2(CCN(CCCNC(C)c3ccc(-c4cnc5[nH]ccc5c4)c4c3OCO4)C2)C1,FYBBGCJYZIGLSA-UHFFFAOYSA-N
-rxn:2:140012:152721,COC1CCOC2(CCN(CCCNC(c3ccccc3)c3ccc(N4CCCC4)nc3)C2)C1,ZYNVKJVSFDLDCF-UHFFFAOYSA-N
-rxn:2:140278:172871,CCN1CCN(c2n[nH]c(NC(C)c3ccc(C(F)(F)C(=N)SC4CCCC4)nc3)n2)CC1,RDXVDYUPILKOTD-UHFFFAOYSA-N
-rxn:2:140449:116119,CCC(Nc1ccccc1OCCN1CCC(C)(C)CC1)C1CCN(Cc2ccccc2)C1,KRPDJFRAAGKEAD-UHFFFAOYSA-N
-rxn:2:140449:69624,CCC(Nc1ccccc1OCCN1CCC(C)(C)CC1)C1CCCN(Cc2ccccc2)C1,XVWWTKRLCQGNNI-UHFFFAOYSA-N
-rxn:2:141450:122629,CCN1CCN(c2ccncc2NC(C)c2ccc(OC)c(CN3CCOCC3)c2)CC1,MDQOFKXJQCZXJV-UHFFFAOYSA-N
-rxn:2:142146:141711,CCC(Nc1ccc(OCCN2CCOCC2)c(C)c1)c1cnc(N2CCN(CC)CC2)c(C)c1,WJOASCOQCCCBNJ-UHFFFAOYSA-N
-rxn:2:144011:129655,CCCC(NC1(c2nc3ccccc3[nH]2)CCC(CC)CC1)C1CCCN(Cc2ccccc2)C1,QJTQXYMXXYJRNO-UHFFFAOYSA-N
-rxn:2:144011:91750,CCc1ccc(C(CN2CCN(C)CC2)NC2(c3nc4ccccc4[nH]3)CCC(CC)CC2)cc1,BCXSGYITMSCYEU-UHFFFAOYSA-N
-rxn:2:155506:171582,CCCC(C(Nc1ccc(OCC2CCCO2)c2ccncc12)c1ccc2c(c1)CCCC2)N1CCCC1,WCVBWICVQNLJIG-UHFFFAOYSA-N
-rxn:2:156468:171582,CCCC(C(Nc1ccc2[nH]/c(=N\C(=O)C(C)C)sc2c1)c1ccc2c(c1)CCCC2)N1CCCC1,ZIKMFVRLPJHPBM-UHFFFAOYSA-N
-rxn:2:165509:145364,Cn1nc(OCC2CCCO2)c2cc(NC(CN3CCCCC3)c3ccc4[nH]c(C5CC5)nc4c3)ccc21,WDTMEKANEFGZSF-UHFFFAOYSA-N
-rxn:2:167833:85280,CCCO[C@H]1CC[C@@](C)(N2CCC(Nc3nc(C)c4c([nH]c5ccccc54)c3C)CC2)CC1,UEEWEBZXNNEXML-HLTNAHAZSA-N
-rxn:2:168311:130197,CCC(Nc1ccc(N2CCC(OC)CC2)c2nonc12)c1ccc(N2CCN(C)CC2)nc1C,DQTSKLODYVVACA-UHFFFAOYSA-N
-rxn:2:168311:91750,CCc1ccc(C(CN2CCN(C)CC2)Nc2ccc(N3CCC(OC)CC3)c3nonc23)cc1,AGQFSUMKIVTHOP-UHFFFAOYSA-N
-rxn:2:66171:147291,CN1CCN(CCC(NCC2CC3CCC(C2)S3(=O)=O)c2ccc3c(c2)OCCO3)CC1,GFZFZKCZEUDESJ-UHFFFAOYSA-N
-rxn:2:66313:129637,CC(C)COCc1ccc(NC2CCOC3(CCC(C)(C)CC3)C2)cc1,WVDMHTGXGBEEHG-UHFFFAOYSA-N
-rxn:2:66313:72368,CC(C)COCc1cccc(NC2CCOC3(CCC(C)(C)CC3)C2)c1,UZQQOICXRHMZLK-UHFFFAOYSA-N
-rxn:2:66824:115389,CCC(C(Nc1n[nH]c2cc(OCCN(C)C)ccc12)c1ccc2c(c1)CCCC2)N1CCCC1,YXYHPXMWQXPEKO-UHFFFAOYSA-N
-rxn:2:67409:71442,CC(NCCC1(N2CCN(C)CC2)CSC1)c1ccc(S(=O)(=O)F)cc1,MGQULFIMFMQCCT-UHFFFAOYSA-N
-rxn:2:67534:112215,CCC(C(Nc1nccnc1OCCC1CCCCC1)c1ccc2c(c1)CCC2)N1CCCC1,JWMSWMVJLNWQBT-UHFFFAOYSA-N
-rxn:2:67832:164290,Cc1[nH]c2ccccc2c1C(CN1CCN(C)CC1)Nc1cc(N2CCCC2)ccc1S(C)(=O)=O,KAHGUYILZIDZTD-UHFFFAOYSA-N
-rxn:2:68643:155396,CC(=O)c1ccc(C2C(CSC(C)NC(C)Cc3cn(C4CCC4)nc3C)C2(F)F)nc1,DDWJHXDQUUTFJU-UHFFFAOYSA-N
-rxn:2:68863:144237,CC(=O)c1cncc(C2C(CSC(C)NC3(c4ncnn4C)CCN(C)CC3)C2(F)F)c1,CVCSUFSCUXMVAF-UHFFFAOYSA-N
-rxn:2:68863:147728,CC(=O)c1ccc(C2C(CSC(C)NC3(c4ncnn4C)CCN(C)CC3)C2(F)F)cn1,HTGMBGXGXQFNCS-UHFFFAOYSA-N
-rxn:2:68886:105166,CCC(C)(CNC1c2ccccc2C[C@H]2CC[C@@H]12)OC1CCC(C)CC1,ZMSJIJAXMANMLR-ZEUQOKDLSA-N
-rxn:2:69185:129213,CCCC(Nc1cccc(OCCN2CCN(C)CC2)c1)C1CCCN(C(C)C)C1,UIRDKIDTPYGTHC-UHFFFAOYSA-N
-rxn:2:69415:78354,CC(C)c1cc(NC2CCN(c3cc(N4CCN(C)CC4)ncn3)C2)ccc1OS(=O)(=O)F,VNYAJRGLZZIZMZ-UHFFFAOYSA-N
-rxn:2:69438:115621,CC(CCS(=O)(=O)c1ccccc1)NC12CC(N3CCN(C)CC3)(C1)C2,MBHSVNCBWWPSIQ-UHFFFAOYSA-N
-rxn:2:69465:172373,CCCC(C(Nc1cncnc1OC1CCN(CC)CC1)c1ccc2ccccc2c1)N1CCCC1,YLVMWBNRCMZFNB-UHFFFAOYSA-N
-rxn:2:69961:74951,CC(Nc1cccc(OC2CC2)c1C(C)(C)C)c1cc2c3c(c1)CCCCC3CCCC2,WCEAQKLZYUSUMH-UHFFFAOYSA-N
-rxn:2:70323:117066,COCCN(C)[C@H]1CC[C@H](NC(C)c2ccc(OS(=O)(=O)[O-])cc2)CC1,WDBHPHJIVOJDLU-ZCQHSFHSSA-M
-rxn:2:70621:155396,CC(=O)c1ccc(C2C(CSC(C)NCc3ccc(CN4CCN(C)CC4)cc3)C2(F)F)nc1,DCNPUMILOHBPII-UHFFFAOYSA-N
-rxn:2:71219:123881,CC(C)OCCC(Nc1ccc(N2CCC3(CCO3)CC2)cc1)C1CC1,JGKLHMOMENNAJX-UHFFFAOYSA-N
-rxn:2:71988:126170,CCCC(C(Nc1cccnc1OCC1CCN(C)CC1)c1ccc2c(c1)CCC2)N1CCCC1,JUEFUHCUBWELFP-UHFFFAOYSA-N
-rxn:2:72198:87172,CC(C)C(C#CC1CC1)NC(CN(C)C1CCN(C)CC1)c1cccn1C,TXKBIIYGZUHBTF-UHFFFAOYSA-N
-rxn:2:72475:76597,CC[C@H]1CC[C@H](C2CCC(Nc3cccc(C(C)OCC4CC4)c3)CC2)CC1,WJNBVELMTOOACC-HSWJVAMMSA-N
-rxn:2:72687:100348,CCN1CCN(c2ccc(C(C)Nc3ccc(N4CCC(COC)CC4)nc3)cc2)CC1,KOBCOWNZDUSWPT-UHFFFAOYSA-N
-rxn:2:72687:101837,CCc1cc(C(Nc2ccc(N3CCC(COC)CC3)nc2)C2CCOCC2)ccc1OC,HNRMJLZFOZNNBA-UHFFFAOYSA-N
-rxn:2:72687:160422,COCC1CCN(c2ccc(NC3CCN(c4ccc(S(C)(=O)=O)cc4)CC3)cn2)CC1,UCCRTZHGRNBWCU-UHFFFAOYSA-N
-rxn:2:72878:148214,COCCn1nc(C)c(-c2ccc3c(c2)CCC(NCc2ccc(N4CCCN(C)CC4)nc2)C3)c1C,NIEOPNPTSLFKOR-UHFFFAOYSA-N
-rxn:2:73080:108131,COc1ccc(NCC(C2CCCCC2)S(C)(=O)=O)cc1OS(=O)(=O)F,SNDBWLMVOWGLLU-UHFFFAOYSA-N
-rxn:2:73568:139845,CCc1cc(C(Nc2cc(CN(C)C3CCN(C)CC3)ccn2)C2(C)CC2)ccc1OC,KTUSBSXKGMSHOD-UHFFFAOYSA-N
-rxn:2:73568:173005,CCc1cc(-c2cc(C(C)Nc3cc(CN(C)C4CCN(C)CC4)ccn3)c(C3CC3)o2)ccc1OC,WFJHVJIEOOWPHB-UHFFFAOYSA-N
-rxn:2:73568:82688,CCc1cc(C(CC2=NCCO2)Nc2cc(CN(C)C3CCN(C)CC3)ccn2)ccc1OC,KPBFYHIZWFYTEX-UHFFFAOYSA-N
-rxn:2:73760:143119,COCC1CN(c2ncccc2NC(c2cccc(CN3CCCC3)c2)c2ccccc2OC)CC1(C)C,OJUFDNCKKPVKLW-UHFFFAOYSA-N
-rxn:2:73760:172373,CCCC(C(Nc1cccnc1N1CC(COC)C(C)(C)C1)c1ccc2ccccc2c1)N1CCCC1,NCTKMCJSGWTTRA-UHFFFAOYSA-N
-rxn:2:73779:89452,CN1CCC(CNC(CS(=O)(=O)[O-])c2ccccc2)(N2CCC(N(C)C)CC2)C1,WIVJXRVEBQWHQT-UHFFFAOYSA-M
-rxn:2:74888:117066,CC(NCC(C1CCOC1)N1CCC(N(C)C)CC1)c1ccc(OS(=O)(=O)[O-])cc1,REMBOOVLPSFDKG-UHFFFAOYSA-M
-rxn:2:75130:105145,CCOCC1CCN(c2ncccc2NC(CC)c2ccc(N3CCC4(CC3)CC4)cc2)CC1,DWPAJURQRKVFOI-UHFFFAOYSA-N
-rxn:2:75130:136425,CCOCC1CCN(c2ncccc2NC(C)c2sc(N3CCN(C)CC3)nc2C)CC1,PENWJQYOEZTEGW-UHFFFAOYSA-N
-rxn:2:75130:158357,CCOCC1CCN(c2ncccc2NC(C)c2c(N3CCCCC3)nc3ccccc3c2C)CC1,CGUSEQRMNYZPAW-UHFFFAOYSA-N
-rxn:2:75130:75013,CCOCC1CCN(c2ncccc2NC(C)c2cccc(C34CCN(C)CC3C4)c2)CC1,CSRJFJNXJXIIQD-UHFFFAOYSA-N
-rxn:2:75130:79723,CCOCC1CCN(c2ncccc2NC(CC)c2ccc(N3CCN(CC)CC3)nc2C)CC1,SSRHVSPTUVNYST-UHFFFAOYSA-N
-rxn:2:75496:112001,CCOc1ccc(C(NCC(c2cccnc2)N2CCC(OC)CC2)C2(C)CC2)cc1C,HXWVSEALWPTOAC-UHFFFAOYSA-N
-rxn:2:75731:111610,Cc1ccccc1C(CCN1CCN(C)CC1)NC1(COS(=O)(=O)[O-])CCCC1,DPHXTUNLDHHTTK-UHFFFAOYSA-M
-rxn:2:76532:153572,COC1CCOC2(CCN(CCCNC(c3ccccc3)c3ncc4n3CCCC4)CC2)C1,KSVHCCZPEFQFQU-UHFFFAOYSA-N
-rxn:2:76532:154608,COC1CCOC2(CCN(CCCNC(Cc3ccc4ccccc4n3)c3ccoc3C)CC2)C1,RQLBCXKYWYGGNP-UHFFFAOYSA-N
-rxn:2:76532:165896,COC1CCOC2(CCN(CCCNC3CCc4cc(-c5ccccn5)ccc43)CC2)C1,NCDOXJXRJQCGPL-UHFFFAOYSA-N
-rxn:2:76532:170483,COC1CCOC2(CCN(CCCNC(Cc3nc4ccccc4s3)c3cccc(C)c3)CC2)C1,CDBNQQXIRQKKNP-UHFFFAOYSA-N
-rxn:2:76744:172152,CCCC1CCN(c2cccc(NC3CCc4ccc(-c5c6c(cc7c5CCC7)CCC6)cc43)c2C)CC1,KKULGVFBYSEGHD-UHFFFAOYSA-N
-rxn:2:78304:104835,CCOCC1(CNC(c2ccccn2)C2CCN(C)CC2)CC2(CC2)C1,GXUBLUPOEYABNH-UHFFFAOYSA-N
-rxn:2:78931:88747,CCN1CC2(C1)CN(c1ccc(NC(C)c3cnc(N4CCC(OC)CC4)s3)cc1)C2,HKVFQMKEOFTMSN-UHFFFAOYSA-N
-rxn:2:79183:149130,CCc1nc2cc(C(CCN3CCCCC3)Nc3ccc(OC)c(C4CCN(C5CC5)CC4)c3)ccc2[nH]1,ODFKSQZMCGGZHT-UHFFFAOYSA-N
-rxn:2:79246:136805,CCCn1ccnc(N2CCC(NCC3C(c4cnc(OC)nc4OC)C3(F)F)CC2)c1=O,MYUGJWTWGKVLMW-UHFFFAOYSA-N
-rxn:2:79800:111979,CCC(NCCS(=O)(=O)N=S(C)(C)=O)C12CC3CC(CC(C3)C1)C2,ZHBNOBDRSAFSPF-UHFFFAOYSA-N
-rxn:2:79800:114121,CC12CCN(CCC1NCCS(=O)(=O)N=S(C)(C)=O)C2,SHTLBOQWXKHSGY-UHFFFAOYSA-N
-rxn:2:79800:119498,CN1[C@@H]2CCC[C@H]1CC(NCCS(=O)(=O)N=S(C)(C)=O)C2,LVGOXUQLONUEAN-YHWZYXNKSA-N
-rxn:2:80184:111770,COC1CCN(c2c(C)cc(NC3C[C@H]4C[C@H](C)CCN4c4ccccc43)cc2C)CC1,KYOXLUNLKGYGCT-COZDELPKSA-N
-rxn:2:80184:136874,COC1CCN(c2c(C)cc(NC3C[C@H]4C[C@@H](C)CCN4c4ccccc43)cc2C)CC1,KYOXLUNLKGYGCT-QUCGDVCDSA-N
-rxn:2:81372:141879,CCCN1CCC(Oc2ccc(NC(c3ccc(OC)c(CC)c3)C3CCCCC3)cn2)CC1,FGGMBZZUNYTFAU-UHFFFAOYSA-N
-rxn:2:81510:101165,CCC[C@H]1CC[C@H](c2ccc(C(C)Nc3ccc(N4CCC(CCOC)CC4)cc3)cc2)CC1,XEKXSAHDNWFPHB-QCZIXAOISA-N
-rxn:2:81510:136302,CCCC(Nc1ccc(N2CCC(CCOC)CC2)cc1)C1CC2(CCC2)C1,PSUGTBZRLIKBDK-UHFFFAOYSA-N
-rxn:2:82250:125145,CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)F)C(NC(=[Se])C1CC1)C2,CZEZUVHEBDYQFC-PEMBBPQUSA-N
-rxn:2:83344:125863,CCN1CCN(c2ncc(C(C)Nc3cc(CN4CCC(OC)CC4)ccn3)c(C)n2)CC1,YXQDFBLLRFQIQE-UHFFFAOYSA-N
-rxn:2:83344:168851,CCc1ccc(OC)c(C(C#CN2CCCC2)Nc2cc(CN3CCC(OC)CC3)ccn2)c1,UCSHUBQGGMFMJL-UHFFFAOYSA-N
-rxn:2:83562:164636,COC1CCN(c2ncccc2CNC(CCN2CCCC(C)C2)c2ccc3[nH]c(C)nc3c2)CC1,KEHCUEKVBJCYHK-UHFFFAOYSA-N
-rxn:2:84946:157599,COc1ccc2c(c1)C(NCc1ccc(OS(=O)(=O)F)cc1)CC1(CCS(=O)(=O)CC1)O2,MKXKHPSFOPJIDY-UHFFFAOYSA-N
-rxn:2:85368:150440,CCN1CCN(Cc2ccc(NC(Oc3cccnc3)c3oc4c(c3C)C(=O)CC(C)(C)C4)cn2)CC1,WSYITCBYKJLYJV-UHFFFAOYSA-N
-rxn:2:85458:117066,CC(NCCN(C)C1CCC(N(C)C)CC1)c1ccc(OS(=O)(=O)[O-])cc1,MZGRFQOLOKCMJI-UHFFFAOYSA-M
-rxn:2:85766:93780,CCC(Nc1ccc(OCCN2CCC(C)CC2)nc1)C1CCN(CC(C)C)C1,QEYQFYIAKDWTLT-UHFFFAOYSA-N
-rxn:2:86191:94533,CCN1CCN(CC(Nc2cnc(N3CCN(C)CC3)cc2OC)c2ccn(C)c2)CC1,FWTDNTUIFDXZGA-UHFFFAOYSA-N
-rxn:2:86560:126170,CCCC(C(Nc1ccc2c(c1)CN(CC1CC1)C2)c1ccc2c(c1)CCC2)N1CCCC1,VJDHWGSGIQVIKO-UHFFFAOYSA-N
-rxn:2:86560:171582,CCCC(C(Nc1ccc2c(c1)CN(CC1CC1)C2)c1ccc2c(c1)CCCC2)N1CCCC1,ZZGYBHDLDAFZDX-UHFFFAOYSA-N
-rxn:2:86748:125690,CCOCC(C)N1CCC(NC(C)c2cccc(N3CCCC3)c2)CC1,YYEJNSSJVIOGBE-UHFFFAOYSA-N
-rxn:2:86826:146699,CCC(N[C@H](c1ccc(OC)c(OC)c1)C1CCCCC1)c1cccc(-c2ccc(N3CCCC3)nc2)c1,BTYJZFIYWWXOPW-CJEZNJPTSA-N
-rxn:2:86840:145364,CCCN1CCN(c2ccc(NC(CN3CCCCC3)c3ccc4[nH]c(C5CC5)nc4c3)cc2OC)CC1,DLVPZCKIVBMAMQ-UHFFFAOYSA-N
-rxn:2:86961:134221,CCOc1cc(C2CCN(C)CC2)ccc1NC(CC)c1cnc(N2CCN(C)CC2)cc1C,BJCHJIYQNJGXAK-UHFFFAOYSA-N
-rxn:2:87172:95759,CC(C)C(NC(CN(C)C1CCN(C)CC1)c1cccn1C)C1(C)CC1,SMSFQLYMEAEJSI-UHFFFAOYSA-N
-rxn:2:88173:145364,CCc1cc(NC(CN2CCCCC2)c2ccc3[nH]c(C4CC4)nc3c2)c(OC)cc1N1CCC(C)CC1,MFTHNFLENCAYOH-UHFFFAOYSA-N
-rxn:2:88200:156116,COCC1CN(c2ccc(NC(CN3CCc4ccccc4C3)c3ccc4c(c3)OCO4)cc2)CC1(C)C,DKNQIIVHFLGJFO-UHFFFAOYSA-N
-rxn:2:89028:132769,CCC(NC(c1ccccc1)c1ccc(COC)cc1)C(N1CCCN(C)CC1)C(C)(C)C,QVYCQGUZWUTPNR-UHFFFAOYSA-N
-rxn:2:89452:98708,CN1CCC[C@H](N(CCNC(CS(=O)(=O)[O-])c2ccccc2)C2CC2)C1,AFUCJPBEAAQOHZ-OYKVQYDMSA-M
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-rxn:1:702:43771,C[C@]12CC[C@H]3[C@@H](CCC4=CCCC[C@@H]43)[C@@H]1CC[C@@]2(O)c1cn(-c2cccc(C#CC#N)c2)nn1,CZXBMBXFWRNFLK-TZYRBOAVSA-N
-rxn:1:9460:51875,O=C(O)C1CSC(c2cc(Br)ccc2OCc2cn(CCN3CCC(F)(F)CC3)nn2)N1,QRVDUOLKLKPRNN-UHFFFAOYSA-N
-rxn:2:100096:169793,CCC(C)c1ccc(-c2ccc(C(C)NCC3CCN(C)C(c4nonc4OC)C3)c3c2OCO3)cc1,GAGDXUUKPPOKEP-UHFFFAOYSA-N
-rxn:2:102040:152050,CC(NC1CCN(c2n[nH]c(=O)[nH]c2=O)C1)SCCC#Cc1ccc(C(=O)C(C)C)cc1,CNWKSOKHHRJESW-UHFFFAOYSA-N
-rxn:2:102544:155396,CC(=O)c1ccc(C2C(CSC(C)Nc3n[nH]cc3N(C)CC(C)(C)C)C2(F)F)nc1,WOIZBFJFIASYCE-UHFFFAOYSA-N
-rxn:2:103022:122707,CN(C1CCCC1)C(CNC1CC2CC1C2)C(C)(C)C,OKQGKWNERGLBNX-UHFFFAOYSA-N
-rxn:2:105086:117066,CC(N[C@H]1CC[C@@H](CN2CC(C)(F)C2)CC1)c1ccc(OS(=O)(=O)[O-])cc1,GTOXIHVIHCOPKI-YHKVIRHGSA-M
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-rxn:2:107594:69280,CCC(NC1CCN([C@H](C)c2ccccc2OC)CC1)C(c1cccnc1)N1CCOCC1,SUZMPBGKKFGZFZ-KYDWWNIQSA-N
-rxn:2:108131:138696,CC(C)Oc1ccc(S(=O)(=O)CNCC(C2CCCCC2)S(C)(=O)=O)cc1,BGHUWXIISIACLX-UHFFFAOYSA-N
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-rxn:2:111431:124420,CCN(CC(NCC1(S(=O)(=O)CC)CCCC1)c1cccs1)C1CC1,YWUQAZVHOKRHFP-UHFFFAOYSA-N
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-rxn:2:114498:150023,CCC(CN1CCC(N(C)C)CC1)NC(c1nc2cnccc2n1C(C)C)C(C)C,ORADCEAINDMRBQ-UHFFFAOYSA-N
-rxn:2:114498:154731,CCC(CN1CCC(N(C)C)CC1)Nc1cn(-c2ccncc2OC)nc1CC(C)C,SYVUFEQBTPGHCV-UHFFFAOYSA-N
-rxn:2:114498:159819,CCC(CN1CCC(N(C)C)CC1)Nc1cn(-c2cnccc2OC)nc1CC(C)C,RIGREBLLUCTJNO-UHFFFAOYSA-N
-rxn:2:116990:145280,CCC(NC(C)c1cc2cc(-c3cnc(OC)nc3)ccc2oc1=O)C(C)N(C)C1CCCN(C)C1,KXFJQAUQBCQZMA-UHFFFAOYSA-N
-rxn:2:116990:150630,CCC(NC(C)c1cc(-c2cc(OC)ccc2OC)n[nH]c1=O)C(C)N(C)C1CCCN(C)C1,CXVQJXKUGOAGKI-UHFFFAOYSA-N
-rxn:2:116990:156553,CCC(NC(C)c1sccc1-c1cc(C)cnc1OC)C(C)N(C)C1CCCN(C)C1,BQACVLBFKJSWOB-UHFFFAOYSA-N
-rxn:2:116990:159241,CCC(NC(C)c1cc(-c2ccc3[nH]c(=O)[nH]c3c2)ccc1OC)C(C)N(C)C1CCCN(C)C1,YOCURZQXOWDYPJ-UHFFFAOYSA-N
-rxn:2:116990:166784,CCC(NC(C)c1ncc(-c2ccc3[nH]c(=O)[nH]c3c2)cc1OC)C(C)N(C)C1CCCN(C)C1,WPZXNEAWYLZQRJ-UHFFFAOYSA-N
-rxn:2:116990:172645,CCC(NC(C)c1cccc(-c2cc3cc(OC)ccc3[nH]2)c1OC)C(C)N(C)C1CCCN(C)C1,ZOVXAIJCQDIWEC-UHFFFAOYSA-N
-rxn:2:117066:118714,CC(NCCN1CCC(S(C)(=O)=O)CC1)c1ccc(OS(=O)(=O)[O-])cc1,TVPLSDNZQDPJRA-UHFFFAOYSA-M
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-rxn:2:117066:125755,CC(NCC1(N2CCCC2)CCS(=O)(=O)CC1)c1ccc(OS(=O)(=O)[O-])cc1,HIAHUJOIRUODMG-UHFFFAOYSA-M
-rxn:2:119716:126600,Cc1ccc(C(C)NCC2(S(=O)(=O)C3CCCC3)CC2)c(OS(=O)(=O)F)c1,RWNUKNMXGZLSKF-UHFFFAOYSA-N
-rxn:2:120481:138696,CC(C)Oc1ccc(S(=O)(=O)CNCC(C2CCCC2)S(C)(=O)=O)cc1,AINUDOMEGBPNRW-UHFFFAOYSA-N
-rxn:2:121465:138960,COCC(NC1CCN(C2(c3ccc(OC)cc3)CC2)CC1)c1ccc2c(c1)OCCO2,NFRIJGHTEAQWIV-UHFFFAOYSA-N
-rxn:2:124269:147466,CCN(C)C1(CNC(C)c2cccc(-c3ccn(C4COC4)n3)c2OC)CCN(C2CC2)C1,WGMMRXDFKYGCRJ-UHFFFAOYSA-N
-rxn:2:124269:162005,CCN(C)C1(CNC(C)c2ncc(-c3cc4cccc(OC)c4[nH]3)cc2OC)CCN(C2CC2)C1,RZBUQARGTDHMGH-UHFFFAOYSA-N
-rxn:2:125524:149807,CCCN(C)C1CC(C(C)C)CCC1NC(c1ccc(-c2nc3nc[nH]c3c(=O)[nH]2)cc1)C(C)C,NZMLOIWZCLHTEJ-UHFFFAOYSA-N
-rxn:2:125524:162371,CCCN(C)C1CC(C(C)C)CCC1NC(C)c1ccc(OC)c(-c2cn[nH]c2C(C)C)c1,MWVRTOAOYXJTMJ-UHFFFAOYSA-N
-rxn:2:125579:171582,CCCC(C(Nc1ccc(OCC2CCCOC2)nc1)c1ccc2c(c1)CCCC2)N1CCCC1,VBMWXOCBQSLMGN-UHFFFAOYSA-N
-rxn:2:125755:126600,Cc1ccc(C(C)NCC2(N3CCCC3)CCS(=O)(=O)CC2)c(OS(=O)(=O)F)c1,DXIUBHDKMSOPNL-UHFFFAOYSA-N
-rxn:2:125863:133959,CCC(CC)C(=O)Oc1cccnc1NC(C)c1cnc(N2CCN(CC)CC2)nc1C,MXUWPZRIHOYYCM-UHFFFAOYSA-N
-rxn:2:126170:125579,CCCC(C(Nc1ccc(OCC2CCCOC2)nc1)c1ccc2c(c1)CCC2)N1CCCC1,ABRAXBOKSWQKHZ-UHFFFAOYSA-N
-rxn:2:126269:139310,CC(NCC1CC(OS(C)(=O)=O)C1)c1ccc(C2CCN(C)CC2)cc1,IUWLUICEUSUNSI-UHFFFAOYSA-N
-rxn:2:126274:166663,CC(C)[C@H](Cn1nc(C2CC2)ccc1=O)NC(C#CN1CCN(C)CC1)c1ccc2[nH]cnc2c1,FEJJPRDOVNXGLO-XGCAABAXSA-N
-rxn:2:126302:152586,CCN(CC1CC(C(C)C)CCC1Nc1c(C)cc(OC)c2cc(-c3ccn[nH]3)[nH]c12)C(C)C,RNWKOXJKWNHYCK-UHFFFAOYSA-N
-rxn:2:126600:133374,Cc1ccc(C(C)NCCN2CCC(N(C)C3CC3)C2)c(OS(=O)(=O)F)c1,ZNRVLDLMERZCQP-UHFFFAOYSA-N
-rxn:2:126600:138400,Cc1ccc(C(C)NCc2cccnc2N2CCN(CC3CC3)CC2)c(OS(=O)(=O)F)c1,GBAROZDYXYEYRO-UHFFFAOYSA-N
-rxn:2:126600:138668,Cc1ccc(C(C)NCC2(C3CCS(=O)(=O)C3)CC2)c(OS(=O)(=O)F)c1,FDMXIMOPZBTLAC-UHFFFAOYSA-N
-rxn:2:126600:140178,Cc1ccc(C(C)NCC2(C3CCS(=O)(=O)C3)CCC2)c(OS(=O)(=O)F)c1,OVEZPVNQBWHAHC-UHFFFAOYSA-N
-rxn:2:127012:150331,CCCCC1CCC(c2cc(NC(C)c3ccc(OC)c(-c4ccc5c(c4)OCCCO5)c3)ncn2)CC1,CNMRQZMJSCFDTC-UHFFFAOYSA-N
-rxn:2:128281:157069,CCC(C)N1CC(NC(C)c2ncc(-c3ccnc(OC4CC4)c3)cc2OC)CC(c2cccc(C)c2)C1,BKXAHLVCVABOQO-UHFFFAOYSA-N
-rxn:2:129193:152050,CC(NC1(c2ncc[nH]2)CCC(C)(C)C1)SCCC#Cc1ccc(C(=O)C(C)C)cc1,JDWQMYLQMHIFDB-UHFFFAOYSA-N
-rxn:2:133266:162769,CCC1COCCN1C1(CNC(C)c2c[nH]c3ccc(-c4cnccc4OC)cc23)CCN(C)CC1,UCUXKXLDUYCBNO-UHFFFAOYSA-N
-rxn:2:133959:125863,CCC(CC)C(=O)Oc1cccnc1NC(C)c1cnc(N2CCN(CC)CC2)nc1C,MXUWPZRIHOYYCM-UHFFFAOYSA-N
-rxn:2:133959:141711,CCC(CC)C(=O)Oc1cccnc1NC(CC)c1cnc(N2CCN(CC)CC2)c(C)c1,XNWYCFMSYWFNOZ-UHFFFAOYSA-N
-rxn:2:133959:79130,CCC(CC)C(=O)Oc1cccnc1NC1CCN(c2cncc(OCC(C)C)c2)CC1,FROMHFMFBUNNHQ-UHFFFAOYSA-N
-rxn:2:134391:141011,CN(C)C(c1cccnc1)C1(NC2CCCc3c2cnn3COCC[Si](C)(C)C)CC1,RMGSDCXNXDDGGI-UHFFFAOYSA-N
-rxn:2:135794:157727,CCCn1nc(-c2cccnc2)cc(C(C)NCC2(N(C)C(C)C)CCC(CC)CC2)c1=O,AHCTVXYMRPOXFV-UHFFFAOYSA-N
-rxn:2:137229:152258,CCC(NC1c2cc(OC)ccc2N(C)CC1N(C)C)c1cccc(-c2cnc(N3CCOCC3)nc2)c1,FZPKBEUDHOYKLG-UHFFFAOYSA-N
-rxn:2:137912:140359,CC(=O)c1cn([C@H]2C[C@H](CSC(C)NCC(F)(F)CN3CCSC(C)C3C)C2)nn1,OWJORXQQTROHMT-SOXDCENTSA-N
-rxn:2:139310:155971,CC(NCC1CC(OS(C)(=O)=O)C1)c1ccnc(-c2ccnc(N3CCN(C)CC3)c2)c1,YZYDUWXYFGGFRE-UHFFFAOYSA-N
-rxn:2:139310:163743,CS(=O)(=O)OC1CC(CNC(c2cccc(S(C)(=O)=O)c2)C2CCC2)C1,OVSRUBUWFCNTDO-UHFFFAOYSA-N
-rxn:2:141291:149807,CCN(C)CC1CC(C(C)C)CCC1NC(c1ccc(-c2nc3nc[nH]c3c(=O)[nH]2)cc1)C(C)C,AZJRJWJVTQFXHK-UHFFFAOYSA-N
-rxn:2:142052:171292,CCC(C)c1ccccc1-c1cc2c(cc1OC)C(Nc1cnn(C3CCN(C4COC4)CC3)c1)CC2,IPZBGMWMVDHTEL-UHFFFAOYSA-N
-rxn:2:144192:165405,CCOc1ccc(C(C#CN2CCCC2)NC2(C(c3ccc4[nH]cnc4c3)N(C)C)CC2)cc1C,AEMBFKCZATUFAY-UHFFFAOYSA-N
-rxn:2:148040:147968,CCCCC(/N=c1\ncc2c([nH]1)CC(C)(C)CC2=O)NC(c1ccc(OC)c(C(C)C)c1)c1nnn[nH]1,KVUFFYVPYYHSMH-UHFFFAOYSA-N
-rxn:2:150152:171582,CCCC(C(Nc1c(OC)cnn1-c1ccncc1C1CC1)c1ccc2c(c1)CCCC2)N1CCCC1,ZQQJTRVIDPRVJQ-UHFFFAOYSA-N
-rxn:2:154259:169615,CCCCSC(=N)C(F)(F)c1ccc2c(c1)C(Nc1cc(-n3nnnc3C3CCC3)ccc1OC)CC2,GCTDIODSBYGREA-UHFFFAOYSA-N
-rxn:2:158270:154947,CC(NC(CN1CCC(N(C)C)CC1)c1c[nH]c2ccccc12)c1cc(=O)n2nc(C3CCCO3)cc2[nH]1,YBNRJWGCZZSBQE-UHFFFAOYSA-N
-rxn:2:158771:169615,CCCCSC(=N)C(F)(F)c1ccc2c(c1)C(Nc1cc(-c3nnnn3C3CCC3)ccc1OC)CC2,QFYBWNZGIWRGAD-UHFFFAOYSA-N
-rxn:2:66038:154927,Cc1cc(C(NC2CCC(OS(C)(=O)=O)CC2)c2ccccc2)cnc1N1CCN(C)CC1,GOSTVAJMTWMRGT-UHFFFAOYSA-N
-rxn:2:68267:168282,CCCc1cc(N2CCC(NC3(CCOC)CCC(F)(F)CC3)CC2)nc(-c2ccncc2)n1,RMXHZJCFZRWBDQ-UHFFFAOYSA-N
-rxn:2:68654:163013,COc1c(C(NC2CCN(C3CCC(OC)CC3)CC2)c2ccccc2)ccc2c1OCO2,TWDYOXRNOWRYPK-UHFFFAOYSA-N
-rxn:2:68727:126600,Cc1ccc(C(C)NCC(C(C)C)N2CCSCC2)c(OS(=O)(=O)F)c1,OZXOTERQRKCAQL-UHFFFAOYSA-N
-rxn:2:69035:153182,CCC(Nc1ccc(N2CCC(N(C)C)CC2)cc1OC)c1ccc(-c2cnn(C3CCOC3)c2)cc1,DXSLGZFWWKFCAK-UHFFFAOYSA-N
-rxn:2:69280:107594,CCC(NC1CCN([C@H](C)c2ccccc2OC)CC1)C(c1cccnc1)N1CCOCC1,SUZMPBGKKFGZFZ-KYDWWNIQSA-N
-rxn:2:70251:117066,CC(NCCCN1CCC(N(C)C)CC1)c1ccc(OS(=O)(=O)[O-])cc1,CMXQVESTRBQXKF-UHFFFAOYSA-M
-rxn:2:70458:162371,CCCCCN1CCC(C)(NC(C)c2ccc(OC)c(-c3cn[nH]c3C(C)C)c2)CC1,WPIOABPMXGQWRN-UHFFFAOYSA-N
-rxn:2:70751:133959,CCC(CC)C(=O)Oc1cccnc1NC(C)c1sc(N2CCN(CC)CC2)nc1C,LGFDNMCRCHBNDN-UHFFFAOYSA-N
-rxn:2:71442:79124,CC(NCC1(S(=O)(=O)C2CCCC2)COC1)c1ccc(S(=O)(=O)F)cc1,ATIKCQSZYMJSIM-UHFFFAOYSA-N
-rxn:2:72383:117825,CCOCC1CCCN(c2ncccc2NC(c2cnc(C3CC3)nc2OC)C(C)C)C1,MNIJYHWKYFHFOT-UHFFFAOYSA-N
-rxn:2:72383:75130,CCOCC1CCN(c2ncccc2NC(c2cnc(C3CC3)nc2OC)C(C)C)CC1,MXEKVNVSYVTUAT-UHFFFAOYSA-N
-rxn:2:72383:99547,CCC(NC(c1cnc(C2CC2)nc1OC)C(C)C)C(c1ccccn1)N1CCN(C)CC1,JDSNRCAGPVHGEQ-UHFFFAOYSA-N
-rxn:2:72611:136378,CN(C)C(c1ccncc1)C1CC(NC2CCN(CCOS(C)(=O)=O)CC2)C1,DYBGNKXMQIIADW-UHFFFAOYSA-N
-rxn:2:72842:162907,C=C=Cc1ccc(C(C)NC(C)C(c2ccncc2)N(C)C2CCCCC2)c(-c2cc(=O)[nH]cc2OC)c1,OAGJFHYYDNGYCN-UHFFFAOYSA-N
-rxn:2:73676:136378,CS(=O)(=O)OCCN1CCC(NCC2CC2c2ccc(S(=O)(=O)F)cc2)CC1,VZKLERGXFVQXAU-UHFFFAOYSA-N
-rxn:2:73700:84946,CN(C1CCC(NCc2ccc(OS(=O)(=O)F)cc2)CC1)C1CCS(=O)(=O)C1,AQWBGVARSKYDRI-UHFFFAOYSA-N
-rxn:2:74109:147968,CCCCC(/N=c1\ncc2c([nH]1)CC(C)(C)CC2=O)NCC(c1ccncc1)N(C)C(C)C,ODHPRFUJYBNWCN-UHFFFAOYSA-N
-rxn:2:74154:171310,CCC(C)c1ccc(-c2cc3c(cc2OC)C(Nc2cnc(OC4CCN(C(C)C)CC4)nc2)CC3)cc1,JFOHAVGHIZQCER-UHFFFAOYSA-N
-rxn:2:74405:126302,CCN(CC1CC(C(C)C)CCC1Nc1ccc(Sc2ncn[nH]2)nc1OC)C(C)C,JZHMZHZILDVQLL-UHFFFAOYSA-N
-rxn:2:74888:143398,CC(NCC(C1CCOC1)N1CCC(N(C)C)CC1)c1ccccc1-c1cnc2[nH]c(=O)[nH]c2c1,AQTXLVJYYCFEDE-UHFFFAOYSA-N
-rxn:2:74888:145150,CC(NCC(C1CCOC1)N1CCC(N(C)C)CC1)c1ncc(-c2ccc3[nH]c(=O)[nH]c3c2)cn1,RUPQHILWRFVGNX-UHFFFAOYSA-N
-rxn:2:74888:145705,CC(C)C(NCC(C1CCOC1)N1CCC(N(C)C)CC1)c1ccc(-c2cnc3[nH]c(=O)[nH]c3c2)cc1,NZOOEHUGPGRVKC-UHFFFAOYSA-N
-rxn:2:74888:150247,CC(NCC(C1CCOC1)N1CCC(N(C)C)CC1)c1ccc(-c2ccc3n[nH]c(=O)n3c2)s1,VINNOIOOCQUWPM-UHFFFAOYSA-N
-rxn:2:74888:150339,CC(NCC(C1CCOC1)N1CCC(N(C)C)CC1)c1cc(-c2ccc3[nH]c(=O)[nH]c3c2)ccn1,LLUKTBHVNNJOKD-UHFFFAOYSA-N
-rxn:2:74888:152720,CC(NCC(C1CCOC1)N1CCC(N(C)C)CC1)c1sccc1-c1ccc2n[nH]c(=O)n2c1,NJMKVCGMYWXSPB-UHFFFAOYSA-N
-rxn:2:75003:145705,CC(C)C(CN(C)C1CCN(C)CC1)NC(c1ccc(-c2cnc3[nH]c(=O)[nH]c3c2)cc1)C(C)C,OWTKOXMSRSUTCH-UHFFFAOYSA-N
-rxn:2:75599:147968,CCCCC(/N=c1\ncc2c([nH]1)CC(C)(C)CC2=O)NCCCN(C)C(C)C,MZSCIOHFYXWSIG-UHFFFAOYSA-N
-rxn:2:75953:87496,CCC(NCC1(S(=O)(=O)CC)CCOCC1)c1cccc(S(=O)(=O)F)c1,XGABKHQEWACMQT-UHFFFAOYSA-N
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-rxn:2:134280:132463,CN(Cc1ccoc1)C1(CNC2CCOC23CCS(=O)(=O)CC3)CN2CCC1CC2,JFQNREGAUBWXSR-UHFFFAOYSA-N
-rxn:2:138510:139138,CCC(NC1CC2CCC1(CS(=O)(=O)[O-])C2(C)C)C1(C2C3CC4CC(C3)CC2C4)CC1,RDYWLLBULUSEBH-UHFFFAOYSA-M
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-rxn:2:141641:155246,COCCC[C@H]1CC[C@H](NC(c2ccccc2)c2cnc(N3CCCCC3)cc2C)CC1,KSTBULFZGJNFLB-DLKFYQKGSA-N
-rxn:2:141641:168847,COCCC[C@H]1CC[C@H](NC(c2ccccc2)c2ccc(N3CCCCC3)nc2C)CC1,HRHNVLIQADIJRT-DLKFYQKGSA-N
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-rxn:2:149465:171582,CCCC(C(NCC(F)(F)c1n[nH]c2nc[nH]c(=O)c12)c1ccc2c(c1)CCCC2)N1CCCC1,CTVUGGFDERSQOQ-UHFFFAOYSA-N
-rxn:2:66550:109800,CCC(C(NCC1CCC(COC)CC1)c1ccccc1)N1CCCOCC1,YFDKPBODMDFPPD-UHFFFAOYSA-N
-rxn:2:67023:141864,CCCC(NC1CCN(C)CC1N1CCc2ccccc2C1)c1ccc2c(c1)CCCC2,KFRZMMILSRTLBU-UHFFFAOYSA-N
-rxn:2:67412:125145,CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)F)C(NC(=[Se])C1CC1)C2,CZEZUVHEBDYQFC-VBCZDQSUSA-N
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-rxn:2:69566:151893,CN(C)C1(CNC2CC3(CCS(=O)(=O)CC3)Oc3ccccc32)CN2CCC1CC2,FKXUGMLVFSDLNQ-UHFFFAOYSA-N
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-rxn:2:73700:128339,CN(C1CCC(NC2CC3CCCC(C2)N3CCc2cccnc2)CC1)C1CCS(=O)(=O)C1,OQXAKIPQGIDWLK-UHFFFAOYSA-N
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-rxn:2:74747:102540,CC(CNC1C[C@H]2CC[C@]1(CS(=O)(=O)[O-])C2(C)C)SC1C2CC3CC(C2)CC1C3,QXIBNYBFRKDWOD-LDTJCYNESA-M
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-rxn:2:75807:103947,CN1[C@H]2CCC(NC3CC34CCC(C)(C)CC4)[C@@H]1CC2,OXVNYIBWWNWAHK-UIDBIOKJSA-N
-rxn:2:76597:116804,CCC[C@H]1CC[C@H](C2CCC(Nc3cccc(C(C)OCC4CC4)c3)CC2)CC1,UBUFFALBKCIAPP-YIQFAGEDSA-N
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-rxn:2:78919:86183,CCCC[C@H]1CC[C@H](C2CCC(Nc3ccc(C4(OC)CCC4)cc3)CC2)CC1,QKIZYXDYBKRAMT-SHNGIDQASA-N
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-rxn:2:79867:92636,CCS(=O)(=O)C1(CNC2CC3CCCC(C2)N3Cc2cccs2)CC2(CC2)C1,RXPFGJVXGVDHNJ-UHFFFAOYSA-N
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-rxn:2:80854:139138,CC(CNC1CC2CCC1(CS(=O)(=O)[O-])C2(C)C)N(C)C1C2CC3CC(C2)CC1C3,QSWFBBKHHZOMRC-UHFFFAOYSA-M
-rxn:2:80978:157499,COC1C(CNC2c3cc(C)ccc3N=C3C2CCN3c2ccccc2)C12CCOCC2,QXUMRNXXGUMAST-UHFFFAOYSA-N
-rxn:2:84015:102540,CC(CNC1CC2CC[C@@]1(CS(=O)(=O)[O-])C2(C)C)SC1C2CC3CC(C2)CC1C3,QXIBNYBFRKDWOD-ZMKGXKRHSA-M
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-rxn:2:84015:125276,CC(C)(CNC1CC2CC[C@@]1(CS(=O)(=O)[O-])C2(C)C)SC12CC3CC(CC(C3)C1)C2,HKEDMUMFCFCEGH-CHUKWMBDSA-M
-rxn:2:84067:109800,CCC(C(NC[C@H]1C[C@@H](COC)C1)c1ccccc1)N1CCCOCC1,WINIQGMSMMHVPZ-IVCWUUCSSA-N
-rxn:2:84217:111979,CCC(NCC(C)(C)CS(=O)(=O)F)C12CC3CC(CC(C3)C1)C2,GRIUEXKGUHXQGT-UHFFFAOYSA-N
-rxn:2:84782:112194,CCCC(Nc1ccc(C2(COC)CC2)cc1)C1CCN(C2CCCC2)CC1,QYFGCGOLNWAVND-UHFFFAOYSA-N
-rxn:2:85113:126600,Cc1ccc(C(C)NC(c2cscn2)C23CC4CC(CC(C4)C2)C3)c(OS(=O)(=O)F)c1,IHSDKUJGTFQCAF-UHFFFAOYSA-N
-rxn:2:85452:170504,CCC(CC)CN1CCC(NC2CCc3ccc(-c4ccc(C5CCC5)cc4)cc32)CC1,JBAWQOSZGOBVGW-UHFFFAOYSA-N
-rxn:2:85978:122520,CCCC1CCC2(CC1)CCC(Nc1ccc(C3(OC)COC3)cc1)CC2,FTSWEGGHBTULJZ-UHFFFAOYSA-N
-rxn:2:86183:116804,CCC[C@H]1CC[C@H](C2CCC(Nc3ccc(C4(OC)CCC4)cc3)CC2)CC1,LULJBIBUPDTEAN-HJJGQMIRSA-N
-rxn:2:86909:119523,COCC1Cc2cc3c(c(NC(CCCC4CCCCC4)c4ccccn4)c2C1)CCC3,UYCSGRKDDAFFDQ-UHFFFAOYSA-N
-rxn:2:87384:103022,CN(C1CC(NC2CC3CC2C3)C12CCC2)C(C)(C)C,LQFRIHOJMQKDRU-UHFFFAOYSA-N
-rxn:2:87384:127799,CN(C1CC(NC2C[C@H]3CC[C@@H]2CC3)C12CCC2)C(C)(C)C,QNYMRMRANNUCSX-BOAJJUGWSA-N
-rxn:2:88564:120200,CC12COC3(S(=O)(=O)[O-])C1CCC2(C)C3NCC(F)(F)CN1C2CCC1CC2,BSJQDKNQYNUUIY-UHFFFAOYSA-M
-rxn:2:88564:122133,CC(C)C(CNC1C2(C)CCC3C2(C)COC31S(=O)(=O)[O-])OC12CC3CC(CC(C3)C1)C2,WOELRAYKLPPKPB-UHFFFAOYSA-M
-rxn:2:88564:125622,CC12COC3(S(=O)(=O)[O-])C1CCC2(C)C3NCC(F)(F)CN1C2CCCC1CC2,OWDOWCCGOUDNLT-UHFFFAOYSA-M
-rxn:2:88564:80854,CC(CNC1C2(C)CCC3C2(C)COC31S(=O)(=O)[O-])N(C)C1C2CC3CC(C2)CC1C3,PKILHCXLYVOTBE-UHFFFAOYSA-M
-rxn:2:88564:89069,CC(CNC1C2(C)CCC3C2(C)COC31S(=O)(=O)[O-])N(C)CC1C2CC3CC(C2)CC1C3,VPYFMTDBWZENQC-UHFFFAOYSA-M
-rxn:2:89267:157499,COC1C(NC2c3cc(C)ccc3N=C3C2CCN3c2ccccc2)COC12CCOCC2,FLYBWAHHBCPULJ-UHFFFAOYSA-N
-rxn:2:90524:139138,CC1(C)C2CCC1(CS(=O)(=O)[O-])C(NCCSC13CC4CC(CC(C4)C1)C3)C2,CDGKHYKQYXRTNC-UHFFFAOYSA-M
-rxn:2:90913:116534,CN1[C@H]2CC[C@@H](NC3CC4(CCC(C)(C)CC4)C3)[C@@H]1CC2,BYKUVWNPFZGCKF-BBWFWOEESA-N
-rxn:2:91310:109800,CCC(C(NCC[C@H]1C[C@@H](OC)C1)c1ccccc1)N1CCCOCC1,CSACHTPOYOLPSN-RKCPXKQQSA-N
-rxn:2:91416:102540,CC(CNC1CC2CCC1(CS(=O)(=O)F)C2(C)C)SC1C2CC3CC(C2)CC1C3,VURARIDLKDUTHL-UHFFFAOYSA-N
-rxn:2:91416:105025,CC1(C)C2CCC1(CS(=O)(=O)F)C(NCC#CC1CC1)C2,NGZLAADQMKEEBJ-UHFFFAOYSA-N
-rxn:2:92553:120312,COCC(ONC[C@@H](OC)C(C)C)C1C2CC3CC(C2)CC1C3,XLAWLELPTHSTQI-BBKYASGISA-N
-rxn:2:92636:93098,CCS(=O)(=O)C1(CNC2CC3CCCC(C2)N3CCc2ccsc2)CC2(CC2)C1,GAQVVDXZIAASIW-UHFFFAOYSA-N
-rxn:2:96049:103232,CN(CCN1C2CCCC1CC(NCCC1(n3ccnc3)CCS(=O)(=O)CC1)C2)C1CC1,PSKZCPFZOZCHPP-UHFFFAOYSA-N
-rxn:2:96049:135725,CN(CCN1C2CCCC1CC(NCC1(n3cccn3)CCS(=O)(=O)CC1)C2)C1CC1,ZYTCWIIYECLFBW-UHFFFAOYSA-N
-rxn:2:96603:138115,CC(CC12CC3CC(C1)CC(N(C)C)(C3)C2)NC(C)c1cc(C(C)C)n[nH]c1=O,FDWTVJSUTHPCEC-UHFFFAOYSA-N
-rxn:2:97288:140202,CC(NC1CC2CCC(C1)N2C1CCC1)c1ccc(OS(C)(=O)=O)cc1,QDUKPIJAEJGCLO-UHFFFAOYSA-N
-rxn:2:99221:163013,COc1c(C(NC2CCCCC2N2CCC(OC)CC2)c2ccccc2)ccc2c1OCO2,AFFQYCAWCHMFKF-UHFFFAOYSA-N
-rxn:2:99758:125295,COC(C)(CNC1CC(CS(=O)(=O)F)C1)CC1C2CC3CC(C2)CC1C3,ZHGCAJVSIPJDKS-UHFFFAOYSA-N
-rxn:2:103561:120015,CCCC(C#CN1CCN(C)CC1)NC(C)c1ccc(N2CCN(C)CC2)nc1C,XGJHZCDEWXHIOX-UHFFFAOYSA-N
-rxn:2:103563:141891,COc1ccccc1C(NC(c1ccc(C)c(C(C)(C)C)c1)C1CCCCC1)C1CCCC1,JUUUEFUKBXNKEK-UHFFFAOYSA-N
-rxn:2:103580:125295,O=S(=O)(F)CC1CC(NCC(F)(F)CN2CC3CC2CS3)C1,ZWHHOSOZRQDCFR-UHFFFAOYSA-N
-rxn:2:103580:128441,O=S(=O)(F)CCC(NCC(F)(F)CN1CC2CC1CS2)C1CC1,ORBMLYCOGSOWQD-UHFFFAOYSA-N
-rxn:2:103580:139138,CC1(C)C2CCC1(CS(=O)(=O)[O-])C(NCC(F)(F)CN1CC3CC1CS3)C2,YSRHIYZHIZAHLW-UHFFFAOYSA-M
-rxn:2:103580:88564,CC12COC3(S(=O)(=O)[O-])C1CCC2(C)C3NCC(F)(F)CN1CC2CC1CS2,RHJLMBCJAGHSLW-UHFFFAOYSA-M
-rxn:2:103947:129524,CN1[C@H]2CCC(NCC3CC4(C3)CC(C)(C)C4)[C@@H]1CC2,JGQMWRNCBQUEGO-AQOJYXMDSA-N
-rxn:2:105485:96642,CCCC(NCc1ccc(N2CCC(N(C)C)CC2)cc1)C1CCN(C2CC2)CC1,PRPNSEXBWHTPEZ-UHFFFAOYSA-N
-rxn:2:106131:77846,CCOS(=O)(=O)CC12CCC(CC1NCCC(c1ccccn1)N1CCN(C)CC1)C2(C)C,RDXRVXPNJWZEKN-UHFFFAOYSA-N
-rxn:2:109467:114121,CN(C1CC1)C1(CNC2CCN3CCC2(C)C3)CN2CCC1CC2,KJLKSEDSMBKVBQ-UHFFFAOYSA-N
-rxn:2:109579:117209,CCCCC1CCC(c2cc(NC(c3ccc(OC(C)C)cc3)C3CCC3)[nH]n2)CC1,RZIFIQIWNGCABP-UHFFFAOYSA-N
-rxn:2:109752:111600,CCOc1c(C(C)NCC(OC)C2CC(F)(F)C2)cnn1CC(C)C,UEWVOUZSPQWDCZ-UHFFFAOYSA-N
-rxn:2:109752:118245,CCCOc1c(C(C)NCC(OC)C2CC(F)(F)C2)cnn1C(C)C,WKWHXOKKLLTCOU-UHFFFAOYSA-N
-rxn:2:109752:154391,COC(CNC(C)CCCCn1c(=O)c2nc[nH]c2n(C)c1=O)C1CC(F)(F)C1,NVHXAGOOOAJGAE-UHFFFAOYSA-N
-rxn:2:109877:173222,CCC(NCc1ccnc(OCC2CCN(C)CC2)c1)c1ccc2[nH]c(C3CCCCC3)nc2c1,PVQTXTUSSFKXPI-UHFFFAOYSA-N
-rxn:2:110177:74747,Cc1ccc(CC2(CNC3C[C@H]4CC[C@]3(CS(=O)(=O)[O-])C4(C)C)CCOCC2)cc1,VXHIKCQCIIHGDZ-JUOXGZAWSA-M
-rxn:2:110824:139138,CC1(C)C2CCC1(CS(=O)(=O)[O-])C(NCC1(S(=O)(=O)c3ccccc3)CC1)C2,XPPLZUAARATHFD-UHFFFAOYSA-M
-rxn:2:111488:80050,CC(C)CSC(=N)C(F)(F)c1ccc(C(C)Nc2[nH]c(=O)ncc2CN2CCOCC2)nc1,YDCFISWFQZDSRI-UHFFFAOYSA-N
-rxn:2:112174:164467,CCC(Nc1ccc(N2CCC(C(C)(F)F)CC2)nc1)c1ccc2oc(=O)c(=O)n(OC(C)C)c2c1,OJPBRJIPXKGDET-UHFFFAOYSA-N
-rxn:2:113144:168624,CS(=O)(=O)CC(NOC12CC3CC(CC(C3)C1)C2)c1ccc(S(C)(=O)=O)cc1,UKRIXIIZPHAPNI-UHFFFAOYSA-N
-rxn:2:113527:81015,CCC(NCc1ccnc(N2CCC(N(C)C)CC2)n1)c1ccc(N2CC[C@H](F)C2)cc1,GTDNIORYAAMIAJ-QHELBMECSA-N
-rxn:2:113756:105829,Cc1ccc(C(N[C@@H](c2ccc(C(C)(C)C)cc2)C2CCCC2)C2CCCCC2)c(C)c1,PEBWPZCKMCVQNV-IDCGIGBZSA-N
-rxn:2:113927:120312,COCC(ONC[C@H](OC)C(C)C)C1C2CC3CC(C2)CC1C3,XLAWLELPTHSTQI-HNLWTILRSA-N
-rxn:2:114305:98788,CCC(CN(C)C1CCN(C)CC1)Nc1c(C(C)C)cnn1CC1CC1(F)F,PODGDSKHNKZXRK-UHFFFAOYSA-N
-rxn:2:114368:165331,CCC(Nc1c(OC)cnn1C(C)C1CCOCC1)c1cccc(-c2ccnc(N3CCOCC3)c2)c1,UIAYCNJHAIXJSL-UHFFFAOYSA-N
-rxn:2:114727:130197,CCC(NCCC1C(c2cccnc2OC)C1(F)F)c1ccc(N2CCN(C)CC2)nc1C,TWSDSVWPISHJKQ-UHFFFAOYSA-N
-rxn:2:115758:88564,CC(C)(CONC1C2(C)CCC3C2(C)COC31S(=O)(=O)[O-])C1C2CC3CC(C2)CC1C3,CRFQNEAQCCIVSG-UHFFFAOYSA-M
-rxn:2:115849:103186,CCOCC1CN(c2ncccc2NC(c2ccccc2)C(CC)N2CCOCC2C)CC1C,CRTWVPKDJCOCQE-UHFFFAOYSA-N
-rxn:2:115849:109813,CCOCC1CN(c2ncccc2NC(C)CC(c2ccncc2)N2CCOCC2)CC1C,HJQJPPXWSRYRQN-UHFFFAOYSA-N
-rxn:2:115849:166525,CCOCC1CN(c2ncccc2NC(C)c2c(N3CCOCC3)[nH]c3c(C)c(C)ccc23)CC1C,BSMXGEQKBXSMMB-UHFFFAOYSA-N
-rxn:2:116360:142605,CC(C)CN1CC2CN(C)CC(NC(c3c[nH]c4ncnn4c3=O)C(C)C)(C1)C2(F)F,HASWUTJANGTJOS-UHFFFAOYSA-N
-rxn:2:116821:131786,CC(Nc1cnc(OCC2CCN(C)CC2)nc1)c1cccc(C(F)C2CCN(C)CC2)c1,MTEVTVBSMWNBMU-UHFFFAOYSA-N
-rxn:2:117288:88564,CC12COC3(S(=O)(=O)[O-])C1CCC2(C)C3NCC12CCC(CN(C3CC3)C1)C2(F)F,DMQUMCCWROMPBD-UHFFFAOYSA-M
-rxn:2:117825:130197,CCOCC1CCCN(c2ncccc2NC(CC)c2ccc(N3CCN(C)CC3)nc2C)C1,XUZIQHFTJOVCQB-UHFFFAOYSA-N
-rxn:2:117825:155230,CCOCC1CCCN(c2ncccc2NC(CN2CC(C)CC(C)C2)c2ccc3[nH]c(C)nc3c2)C1,UDXXMJJMCJGKPL-UHFFFAOYSA-N
-rxn:2:119299:173222,CCC(Nc1cc(C)ccc1OCCN1CCC(C)CC1)c1ccc2[nH]c(C3CCCCC3)nc2c1,ZPBHEWDYXQQEGQ-UHFFFAOYSA-N
-rxn:2:119498:120480,CN1[C@@H]2CCC[C@H]1CC(NCC1(C)CC3(CCC3)C1)C2,PGWYCXZLZIXOHG-MQVJKMGUSA-N
-rxn:2:119568:106168,CCC1CC(C(NC(C)c2ccc(OCC3CCCN(C)C3)cc2)c2ccnn2C)C1,FYMDDPGORJEWSZ-UHFFFAOYSA-N
-rxn:2:120312:139947,COCC(ONCC(OC)C(C)C)C1C2CC3CC(C2)CC1C3,XLAWLELPTHSTQI-UHFFFAOYSA-N
-rxn:2:120451:155396,CC(=O)c1ccc(C2C(CSC(C)NC(C)(C)Cc3nc(C4CC4)n[nH]3)C2(F)F)nc1,ZOTTUKIQZNNISP-UHFFFAOYSA-N
-rxn:2:121480:74747,CCC12CC3CC(C1)CC(NC1C[C@H]4CC[C@]1(CS(=O)(=O)[O-])C4(C)C)(C3)C2,SYXWOZXJUBLCGI-JZXRZDDSSA-M
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-rxn:2:123131:129339,CN(C)C1(C)CCC(NC2C3CCN(CC3)C2(C)C)CC1,VUZCQYQHTSDFRB-UHFFFAOYSA-N
-rxn:2:123796:155396,CC(=O)c1ccc(C2C(CSC(C)Nc3cncnc3OC3CCCC3N(C)C)C2(F)F)nc1,KCZHTCCIKJYALW-UHFFFAOYSA-N
-rxn:2:126271:74747,COc1ccc(CC2(NC3C[C@H]4CC[C@]3(CS(=O)(=O)[O-])C4(C)C)CC2)cc1OC,ZMQBCVYDLGLBKA-ZDUIXAHXSA-M
-rxn:2:126600:157491,Cc1ccc(C(C)Nc2c(C34CC5CC(CC(C5)C3)C4)cn[nH]c2=O)c(OS(=O)(=O)F)c1,QHTLIGXPYPMPDE-UHFFFAOYSA-N
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-rxn:2:126889:113208,CC1C(Nc2ccc(OCCN3CCCC3)nc2)CCN(C(C)C)C1C,XMFIBDPTINQEGR-UHFFFAOYSA-N
-rxn:2:127204:159916,COc1ccc(C(NCCCOS(C)(=O)=O)C23CN4CN(CN(C4)C2)C3)cc1,VNZZVTAUATUWPX-UHFFFAOYSA-N
-rxn:2:128177:75075,CCCN1CCN(C(C)c2ccc(NCC(OC)C3CCC(F)(F)CC3)cc2)CC1,DVAQIQOSMPBNSI-UHFFFAOYSA-N
-rxn:2:128768:74747,CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)[O-])C(NCc1ccnc(C3CCCO3)c1)C2,SWSPGVONLZSUMW-CNXCKVANSA-M
-rxn:2:129725:141891,Cc1ccc(C(NC(c2ccsc2)C2CCCCC2)C2CCCCC2)cc1C(C)(C)C,KHGISPQCUKJXBE-UHFFFAOYSA-N
-rxn:2:129802:155396,CC(=O)c1ccc(C2C(CSC(C)Nc3cncnc3OC3CCCCC3N(C)C)C2(F)F)nc1,BBIITTIIWOBIRY-UHFFFAOYSA-N
-rxn:2:129927:72383,CCCCN1CCCC1c1cnc(NC(c2cnc(C3CC3)nc2OC)C(C)C)cc1C,VJUOSTHBLXEYNJ-UHFFFAOYSA-N
-rxn:2:129951:114032,CCC(C)(C)OCC(NC1(c2nc(C)cc(C3CCCN(C)C3)n2)CC1)c1cccn1C,WRJIJZFTAAMMNR-UHFFFAOYSA-N
-rxn:2:132257:110482,CCCC(Nc1ccc(OCCC2CCCN2C)cn1)C1CCCCN1C1CC1,VRJTZQMCNWFWJO-UHFFFAOYSA-N
-rxn:2:132312:121598,CC(NC(c1cccc(S(C)(=O)=O)c1)C1CC1)c1cnn(C23CC4CC(CC(C4)C2)C3)c1,RQOXWHMPZVHTIC-UHFFFAOYSA-N
-rxn:2:132597:134221,CCC(Nc1ccc(N2CCOCC2)cc1OC)c1cnc(N2CCN(C)CC2)cc1C,YBXOARJHOLTXBZ-UHFFFAOYSA-N
-rxn:2:133268:143818,CC(CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)Nc1cc(C2CCCC2)nn1C1CCCOC1,PYJSQJMUABKMGJ-UHFFFAOYSA-N
-rxn:2:134212:134417,CCOCC1CCN(c2ccc(NC(CC)c3ccc(N4CCOCC4)nc3C)cn2)C1,LXVCLXHLSNSSFI-UHFFFAOYSA-N
-rxn:2:134212:91208,CCOCC1CCN(c2ccc(NC(C)c3c(C)nc(N4CCN(C)CC4)nc3C)cn2)C1,KMVMTCGSYJEIJI-UHFFFAOYSA-N
-rxn:2:134241:84030,CCCC1CCN(c2[nH]c(C)nc2NC(C)c2ccc(OCCC3CCCN3C)cc2)CC1,OOJFDRXQCFBFMI-UHFFFAOYSA-N
-rxn:2:134302:103107,CCOCC1CCN(c2ncccc2NC(CC)c2cnc(N3CCN(C)CC3)c(C)c2)C1,HQRHUZNOJLRNEJ-UHFFFAOYSA-N
-rxn:2:134332:118120,CC(C)(C)C(NCC1CCN(CC2CCC(F)(F)CC2)CC1)c1ncc2n1CCCC2,USXJWWURCHTRHW-UHFFFAOYSA-N
-rxn:2:136805:155318,CCCc1cc(N2CCC(NCC3C(c4cnc(OC)nc4OC)C3(F)F)CC2)nc(-c2cccnc2)n1,JDTXQLBDVXMPOT-UHFFFAOYSA-N
-rxn:2:138487:134221,CCC(Nc1ccc(COCC2CCCCO2)cn1)c1cnc(N2CCN(C)CC2)cc1C,DAQITRAOKSKXCV-UHFFFAOYSA-N
-rxn:2:138546:106196,CC(Nc1ccc(N2CCC(N(C)C)CC2)cn1)c1cnccc1OCCN1CCOCC1,OYWBSWKXFSBLHI-UHFFFAOYSA-N
-rxn:2:139310:167745,CS(=O)(=O)OC1CC(CNC(c2ccc(S(C)(=O)=O)cc2)C23CC(C2)C3)C1,BLRMWZAWJIGKDO-UHFFFAOYSA-N
-rxn:2:140087:120958,CCCCCC(Nc1cn(CC(C)OC)c(=O)[nH]c1=O)C12CC3CC(CC(C3)C1)C2,VWFUPXNDUZRXSL-UHFFFAOYSA-N
-rxn:2:141435:130197,CCC(Nc1ccc(N2CCC(C)C2)nc1OCC(C)C)c1ccc(N2CCN(C)CC2)nc1C,PCNJSQUHFHFJMI-UHFFFAOYSA-N
-rxn:2:141987:153335,CCS(=O)(=O)c1ccc(C(NC23CCC(CC2(C)C)C3)C2CCCC2)cc1,TULLXXXBHRZHEB-UHFFFAOYSA-N
-rxn:2:142099:166019,CC(=O)c1cccc(C2C(CSC(C)NC3(c4cnn(C)c4)CC(C)CC(C)(C)C3)C2(F)F)c1,UTJSFWPFMVSCDR-UHFFFAOYSA-N
-rxn:2:148854:170275,CCCCSC(=N)C(F)(F)c1ccc2c(c1)CCC2Nc1nn2c(=O)cc(CCC(C)C)nc2[nH]1,ABXOYTRCMCQZFP-UHFFFAOYSA-N
-rxn:2:148854:170963,CCCCSC(=N)C(F)(F)c1cccc2c1CCC2Nc1nn2c(=O)cc(CCC(C)C)nc2[nH]1,UVKIAVCEYZFDFA-UHFFFAOYSA-N
-rxn:2:154590:103186,CCC(C(NC1CC(c2nccc3c2ccn3C)CN(C)C1)c1ccccc1)N1CCOCC1C,QYBPYKUTZPZGGO-UHFFFAOYSA-N
-rxn:2:156646:145313,CC1CCN(c2ncc3c(n2)CC(C)(C)CC3Nc2cnc3ccnc(OCCN(C)C)c3c2)CC1,JCNSPVWPNAUGDZ-UHFFFAOYSA-N
-rxn:2:156863:103107,CCC(NC(C)(C)C(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)c1cnc(N2CCN(C)CC2)c(C)c1,PUGWVAMHGWSIQV-UHFFFAOYSA-N
-rxn:2:160382:130197,CCC(Nc1cn2cc(C3COCCO3)nc2cc1OC)c1ccc(N2CCN(C)CC2)nc1C,SOJFHKCIMZNPTH-UHFFFAOYSA-N
-rxn:2:163127:74747,CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)[O-])C(NC1CC3(CCC3)S(=O)(=O)c3ccccc31)C2,BPTCNFVDHCTTDN-PRKFSKNXSA-M
-rxn:2:165509:130197,CCC(Nc1ccc2c(c1)c(OCC1CCCO1)nn2C)c1ccc(N2CCN(C)CC2)nc1C,QFRJSCHVMXKNTR-UHFFFAOYSA-N
-rxn:2:165855:122881,COCC(C)(NC(C)c1ccccc1OCC1CCCN(C)C1)c1ccc2[nH]c(C3CC3)nc2c1,QWQQVENQYQMHGL-UHFFFAOYSA-N
-rxn:2:66244:81393,CN(C)C1(CNC2CCN3CCC2C3)CCC(C(C)(C)C)CC1,MYKKKBFEVYDWJX-UHFFFAOYSA-N
-rxn:2:66678:134221,CCC(Nc1nccnc1OCCN1CCOCC1)c1cnc(N2CCN(C)CC2)cc1C,QLIKKRVYNFWGBY-UHFFFAOYSA-N
-rxn:2:67347:125434,CCOC1(CNC(c2cccs2)C2CN3CCC2CC3)CCS(=O)(=O)C1,VMWRGZYQQZJODV-UHFFFAOYSA-N
-rxn:2:68673:137912,CC(=O)c1cn([C@H]2C[C@H](CSC(C)NCC(F)(F)CN3CCOC(C)C3C)C2)nn1,XPOQAARKTNOAIO-SOXDCENTSA-N
-rxn:2:68745:160547,CC1CN(CC(F)(F)CNC(Cn2cnc3c2c(=O)n(C)c(=O)n3C)c2ccc[nH]2)CCCO1,HICBVMWMUZGAEI-UHFFFAOYSA-N
-rxn:2:68924:142070,CC(C)c1c[nH]c(C(C)NCC(C)C23CC4CC(C2)CC(N(C)C)(C4)C3)n1,PJCOLSQOOTZJMZ-UHFFFAOYSA-N
-rxn:2:68948:88564,CC12COC3(S(=O)(=O)[O-])C1CCC2(C)C3NCC12CCCC(CN(C3CC3)C1)C2(F)F,XECQMJYOBJXAQA-UHFFFAOYSA-M
-rxn:2:69035:173222,CCC(Nc1ccc(N2CCC(N(C)C)CC2)cc1OC)c1ccc2[nH]c(C3CCCCC3)nc2c1,ZOKJPNCJQNGRAX-UHFFFAOYSA-N
-rxn:2:69069:84594,CN(C1CCC(NC2C3CCCC2CN(C2CC2)C3)CC1)C(C)(C)C,KROQIFPDMBKVLB-UHFFFAOYSA-N
-rxn:2:69566:110220,CN(C)C1(CNC2CCC(S(=O)(=O)c3cccs3)CC2)CN2CCC1CC2,QXUVVXOSJRHSLZ-UHFFFAOYSA-N
-rxn:2:69566:82412,Cc1nc(CCC(C)NCC2(N(C)C)CN3CCC2CC3)[nH]c1C(C)C,MATNILLNGUYYAX-UHFFFAOYSA-N
-rxn:2:69789:88564,CCCC(CNC1C2(C)CCC3C2(C)COC31S(=O)(=O)[O-])C1C2CC3CC(C2)CC1C3,XUUVOQAHKAPRED-UHFFFAOYSA-M
-rxn:2:69937:77846,CCOS(=O)(=O)CC12CCC(CC1NCCC(c1cccs1)N1CCN(C)CC1)C2(C)C,XSRRNEFBJFERRS-UHFFFAOYSA-N
-rxn:2:70216:137746,CC(NC1CC2CCCC1N2C)C1CCCC(C)(C)C1,PSICQNQUVXHGON-UHFFFAOYSA-N
-rxn:2:70216:77799,CC(NC1CC2CCCC1N2C)C1CCC(C)(C)CC1,NVSHEYQXTYSWFX-UHFFFAOYSA-N
-rxn:2:70510:83490,CCCC(C(NCC1(F)CCN(C)CC1)c1ccc2c(c1)CCO2)N1CCCC1,BEPVOYJHVCIDNV-UHFFFAOYSA-N
-rxn:2:70578:88564,CC(CCNC1C2(C)CCC3C2(C)COC31S(=O)(=O)[O-])SC12CC3CC(CC(C3)C1)C2,KVZGPPIMLAKMPQ-UHFFFAOYSA-M
-rxn:2:70685:128628,O=S(=O)(F)C1CC(Nc2cc(COC3C4CC5CC(C4)CC3C5)n[nH]2)C1,IJJZFWNHKJRKND-UHFFFAOYSA-N
-rxn:2:71221:92553,COCC(NC[C@@H](OC)C(C)C)C1C2CC3CC(C2)CC1C3,YJGVNPPFVADCMS-DUAPJVKHSA-N
-rxn:2:71576:119498,CN1[C@@H]2CCC[C@H]1CC(NCC(C)(C)N(C)C1CCC1)C2,SLEHRXQLEODNBN-ZXFUBFMLSA-N
-rxn:2:71596:78105,CC1(c2cc(NC3CC(C[Si](C)(C)C)C34CCC4)[nH]n2)CC(F)(F)C1,LTYQEBNKQVHEPU-UHFFFAOYSA-N
-rxn:2:71988:147524,CCc1nc2cc(C(CCN3CCCC3)Nc3cccnc3OCC3CCN(C)CC3)ccc2[nH]1,PGHFMMUOAFPLEQ-UHFFFAOYSA-N
-rxn:2:72488:69280,CCC(NC1CCN([C@H](C)c2ccccc2OC)CC1)c1ccc(N2CCOCC2)nc1,ZJCMJUUXYCWYTP-CGHJUBPDSA-N
-rxn:2:72574:126544,CC1CCC(NCC(C)(F)C2CC2)C(CN(C)Cc2nccn2C)C1,CAVMFCGCPGBPPY-UHFFFAOYSA-N
-rxn:2:72659:72383,CCc1nn(CC2CC2(F)F)c(NC(c2cnc(C3CC3)nc2OC)C(C)C)c1C1CC1,VZAOLGKZXZWTMD-UHFFFAOYSA-N
-rxn:2:72835:139138,CC1(C)C2CCC1(CS(=O)(=O)[O-])C(NCC13CSCC(CN(C4CC4)C1)C3(F)F)C2,XJRNCJZOBPRKPZ-UHFFFAOYSA-M
-rxn:2:72835:88564,CC12COC3(S(=O)(=O)[O-])C1CCC2(C)C3NCC12CSCC(CN(C3CC3)C1)C2(F)F,ABZVWDBOYPSDPI-UHFFFAOYSA-M
-rxn:2:73437:109152,CN(C)CCN1CCC(NCC2(F)CN3CCC2CC3)C(C)(C)C1,DSLMJBQFWOCPKE-UHFFFAOYSA-N
-rxn:2:74090:142505,CC(=O)c1ccc(C2C(CCSC(C)NC3(c4ncc[nH]4)CC(C)CC(C)C3)C2(F)F)nc1,NIMZUAWYMJQPRY-UHFFFAOYSA-N
-rxn:2:74152:118870,CC(=O)c1ccc(C2C(CSC(C)Nc3n[nH]cc3N(C)CC3CCCO3)C2(F)F)s1,YEUVDRRBSZDUOP-UHFFFAOYSA-N
-rxn:2:74152:155396,CC(=O)c1ccc(C2C(CSC(C)Nc3n[nH]cc3N(C)CC3CCCO3)C2(F)F)nc1,ZSGATVSSLKILDZ-UHFFFAOYSA-N
-rxn:2:74766:75075,CCc1nn(CCN(C)C)c(NCC(OC)C2CCC(F)(F)CC2)c1C,LDRQMECIMSUKJL-UHFFFAOYSA-N
-rxn:2:74845:143099,CCC(NC(C)(C)CCc1nccc(C2CCN(C)C2)n1)c1cnc(N2CCc3ccccc3C2)cc1C,IIXZTLLRWHHFML-UHFFFAOYSA-N
-rxn:2:75075:103225,CCc1c(C)nn(CCN(C)C)c1NCC(OC)C1CCC(F)(F)CC1,ZEZKJMVXDKOBNS-UHFFFAOYSA-N
-rxn:2:75075:82528,CCCCN1CCN(c2ccc(NCC(OC)C3CCC(F)(F)CC3)cn2)CC1,LFLAUDLVCAPCOF-UHFFFAOYSA-N
-rxn:2:75114:117066,CC(NCC1C2C3CC4C5CC(C42)C1C53)c1ccc(OS(=O)(=O)[O-])cc1,GUXXCRHBYPUTET-UHFFFAOYSA-M
-rxn:2:75807:119498,CN1[C@@H]2CCC[C@H]1CC(NC1CC13CCC(C)(C)CC3)C2,GWSJGBLCEVIJCS-HPZPOOBXSA-N
-rxn:2:76524:114121,CN(C)C1(C)CCC(NC2CCN3CCC2(C)C3)CC1,JNNXTUIDYZRTFP-UHFFFAOYSA-N
-rxn:2:76532:155397,COC1CCOC2(CCN(CCCNC(Cc3nc4ccccc4o3)c3ccoc3C)CC2)C1,UVUNLJVZDQRLMF-UHFFFAOYSA-N
-rxn:2:76532:167510,COC1CCOC2(CCN(CCCNC(Cc3ccc4ccccc4n3)c3cc(C)oc3C)CC2)C1,NMIXODROESMXGT-UHFFFAOYSA-N
-rxn:2:76719:87384,CN(C1CC(NC2CC3CCCN(C3)C2)C12CCC2)C(C)(C)C,OHZPIQFRKLZUPL-UHFFFAOYSA-N
-rxn:2:76792:98788,CCC(CN(C)C1CCN(C)CC1)NC(c1ccnn1C)C1CC(C(C)C)C1,ZQOHLXUWFCYUKY-UHFFFAOYSA-N
-rxn:2:77613:128555,CCCC(NC(COC)c1ccc2c(c1)CCC(C)(C)O2)C1CCN(c2cnccn2)CC1,MYJWHHZNYJTPMW-UHFFFAOYSA-N
-rxn:2:77649:107357,CCC(Nc1cccnc1OCC1CCN(C)C1)c1ccc(N2CCCCCC2)nc1C,BKNZNKXDEJTHHI-UHFFFAOYSA-N
-rxn:2:77649:109800,CCC(C(Nc1cccnc1OCC1CCN(C)C1)c1ccccc1)N1CCCOCC1,GLUVAAQETQIGKO-UHFFFAOYSA-N
-rxn:2:77649:113250,CC(CCCCN1CCCSCC1)Nc1cccnc1OCC1CCN(C)C1,OVVZVBBGTHRHAO-UHFFFAOYSA-N
-rxn:2:77649:149130,CCc1nc2cc(C(CCN3CCCCC3)Nc3cccnc3OCC3CCN(C)C3)ccc2[nH]1,IQRSVFONFKWRGW-UHFFFAOYSA-N
-rxn:2:77649:77307,CC(CCCN1C(C)CCCC1C)Nc1cccnc1OCC1CCN(C)C1,XXEGJSSAPVAKHH-UHFFFAOYSA-N
-rxn:2:77662:109760,CCCCN1CCN(c2cc(NCC(OC)C3CC(F)(F)C3)ccn2)CC1,CZKUCTNEKHBLGN-UHFFFAOYSA-N
-rxn:2:77662:82528,CCCCN1CCN(c2ccc(NCC(OC)C3CC(F)(F)C3)cn2)CC1,RCGSYKSYAAXBHG-UHFFFAOYSA-N
-rxn:2:78105:125575,Cc1[nH]ncc1C1C(CCNC2CC(C[Si](C)(C)C)C23CCC3)C1(F)F,GDYXABHDEUTGKT-UHFFFAOYSA-N
-rxn:2:78348:87384,CN(C1CC(NC2CC3CCC2C3)C12CCC2)C(C)(C)C,JAGTXQRKRLLUHM-UHFFFAOYSA-N
-rxn:2:78525:94101,CC1CCC(N(C)C2CC(C)CCC2NC(c2ncc[nH]2)C(C)(C)F)CC1,ZKUSASZMKWAFLF-UHFFFAOYSA-N
-rxn:2:79411:84594,CN(C1CCC(NC(CC2CC2)C2CC2)CC1)C(C)(C)C,BJDUZOCBKYPGQB-UHFFFAOYSA-N
-rxn:2:79591:88564,CCC(CN(C)C12CC3CC(CC(C3)C1)C2)NC1C2(C)CCC3C2(C)COC31S(=O)(=O)[O-],NMENOFZTFQRGPW-UHFFFAOYSA-M
-rxn:2:79800:153662,CCc1ccc(C(NCCS(=O)(=O)N=S(C)(C)=O)C23CN4CN(CN(C4)C2)C3)cc1,RZHBBXXLAQZXRX-UHFFFAOYSA-N
-rxn:2:79800:159916,COc1ccc(C(NCCS(=O)(=O)N=S(C)(C)=O)C23CN4CN(CN(C4)C2)C3)cc1,OLWQKQMNTYKTTG-UHFFFAOYSA-N
-rxn:2:80050:110830,CC(C)CSC(=N)C(F)(F)c1ccc(C(C)Nc2n[nH]c(C3CCCCC3)nc2=O)nc1,YDGHQEFEXQKBGB-UHFFFAOYSA-N
-rxn:2:80723:119498,CN1[C@@H]2CCC[C@H]1CC(NC1CCCC1(C)N(C)C)C2,QFYBVZVJCUPOGX-HXGYVLDSSA-N
-rxn:2:80723:93832,CC(C)N1C2CCC(NC3CCCC3(C)N(C)C)C1CC2,XYYZIVNDAKSMDC-UHFFFAOYSA-N
-rxn:2:80854:141610,CC(NCC(C)N(C)C1C2CC3CC(C2)CC1C3)c1ccc(S(=O)(=O)[O-])cc1,UUIPXINYVPUZRP-UHFFFAOYSA-M
-rxn:2:81297:99963,CC(NOC(C)C1C2CC3CC(C2)CC1C3)c1cccnc1S(C)(=O)=O,MOOYDCSMACFLRP-UHFFFAOYSA-N
-rxn:2:81735:114357,CN1CCC(C(C2CC(NC(c3ccnn3C)C3CC3)C2)N(C)C)C1,IDMXSAGKPRMQRU-UHFFFAOYSA-N
-rxn:2:81735:163067,CC(C)C(NC1CC(C(C2CCN(C)C2)N(C)C)C1)c1ccc(-c2nc3ccsc3c(=O)[nH]2)cc1,JXXBBAIWMIYLTH-UHFFFAOYSA-N
-rxn:2:81735:95376,CCC(NC1CC(C(C2CCN(C)C2)N(C)C)C1)c1ccc(N2CCCC2)nc1C,FZCFBDLWAXZKNQ-UHFFFAOYSA-N
-rxn:2:81807:143495,CC(NCC(F)(F)CN1CCSC(C)(C)C1)c1ccc(-c2nc3c(=O)n(C)c(=O)n(C)c3[nH]2)cn1,RXHZAXPYIMVYIY-UHFFFAOYSA-N
-rxn:2:82686:118088,CCC1(Oc2ncncc2NC(C)SCC2C(c3ccsc3C(C)=O)C2(F)F)COC1,ANULVKVYIQKWSG-UHFFFAOYSA-N
-rxn:2:82736:76048,CCC(Nc1ccc(COCC2CCOCC2)cc1)c1cnc(N2CCCCCC2)cc1C,JUIDQIJWULAMSI-UHFFFAOYSA-N
-rxn:2:83091:126600,Cc1ccc(C(C)NC(C)(c2nnc[nH]2)C2C3CC4CC(C3)CC2C4)c(OS(=O)(=O)F)c1,ZCPPJUFQAWWRSH-UHFFFAOYSA-N
-rxn:2:83263:98330,CC(C)COc1cncc(NC2CCN(CCCCN(C)C)C(C)C2)n1,WZNBIIJVFZIBHZ-UHFFFAOYSA-N
-rxn:2:84594:103295,CN(C1CCC(NC2[C@H]3C[C@@H]4C[C@@H](C[C@H]2C4)C3)CC1)C(C)(C)C,ZJAAXMUMKLCWCB-HNCYXZKNSA-N
-rxn:2:84594:103373,CN(C1CCC(NC2CCCC2N2CC3CCC2C3)CC1)C(C)(C)C,FSPAGGNSJPULQZ-UHFFFAOYSA-N
-rxn:2:84594:108494,CN(C1CCC(NCC23CC(CN2C)C3)CC1)C(C)(C)C,GGDVVRLTKJEAIH-UHFFFAOYSA-N
-rxn:2:84594:114014,CN(C1CCC(NC2C3CCC2CN(C2CC2)C3)CC1)C(C)(C)C,ZJNIBVPJALHKFE-UHFFFAOYSA-N
-rxn:2:84594:116211,CN(C1CCC(N[C@@H]2CC3CCC2CC3)CC1)C(C)(C)C,QTLMQFDJNPMXHI-ARUCBAPRSA-N
-rxn:2:84594:117948,CN(C1CCC(NC2C3CC4CC(C3)CC2C4)CC1)C(C)(C)C,ZJAAXMUMKLCWCB-UHFFFAOYSA-N
-rxn:2:84594:126859,CN(C1CCC(N[C@@H]2C3CCN(CC3)C23CC3)CC1)C(C)(C)C,MVQHWMBLLBWVKQ-DAWZGUTISA-N
-rxn:2:84594:128164,CN(C1CCC(NC2C3CC4C[C@H](C3)C[C@H]2C4)CC1)C(C)(C)C,ZJAAXMUMKLCWCB-IGCPVAHHSA-N
-rxn:2:84594:129155,CN(C1CCC(NC2CCC3CCC2CC3)CC1)C(C)(C)C,YMHJAANCDQZRTO-UHFFFAOYSA-N
-rxn:2:84594:129998,CN(C1CCC(NC2CCCC2C2CC2)CC1)C(C)(C)C,RDKSHWQLVZGQTE-UHFFFAOYSA-N
-rxn:2:84594:132856,CN(C1CCC(NC2CC3CCC2CC3)CC1)C(C)(C)C,QTLMQFDJNPMXHI-UHFFFAOYSA-N
-rxn:2:84594:135563,CN(C1CCC(N[C@H]2C3CCN(CC3)C23CC3)CC1)C(C)(C)C,MVQHWMBLLBWVKQ-ABHNRTSZSA-N
-rxn:2:84594:136177,CN(C1CCC(NC2CC23C2CC4CC(C2)CC3C4)CC1)C(C)(C)C,WBMLPFQWIHBZHD-UHFFFAOYSA-N
-rxn:2:84594:136334,CN(C1CCC(N[C@H]2CC3CCC2CC3)CC1)C(C)(C)C,QTLMQFDJNPMXHI-AFKOEOOISA-N
-rxn:2:84594:82088,CN(C1CCC(NC2CC3CSCC(C3)C2)CC1)C(C)(C)C,ZEXPQVWURDUMSS-UHFFFAOYSA-N
-rxn:2:84594:83692,CN(C1CCC(NC2C3CCCC2CC3)CC1)C(C)(C)C,SNCKVQQOQOQXKN-UHFFFAOYSA-N
-rxn:2:84594:86626,CN(C1CCC(N[C@@H]2C[C@@H]3CCC[C@H]2C3)CC1)C(C)(C)C,VQITVDTUSZEHCK-YFVGIKETSA-N
-rxn:2:84594:88249,CN(C1CCC(NC23CC4CC2CC4C3)CC1)C(C)(C)C,AZUCUVDHCSKGJX-UHFFFAOYSA-N
-rxn:2:84594:88314,CN(C1CCC(NC2C3CCN(CC3)C23CC3)CC1)C(C)(C)C,MVQHWMBLLBWVKQ-UHFFFAOYSA-N
-rxn:2:84594:91168,CN(C1CCC(NC2CN3CCC2C3)CC1)C(C)(C)C,KGKBPVUEROAFAL-UHFFFAOYSA-N
-rxn:2:84594:94820,CN(C1CCC(NC2C[C@@H]3CC[C@H]2C3)CC1)C(C)(C)C,TXJFAOMQWYUTHP-PYIVJVRMSA-N
-rxn:2:84594:99675,CN(C1CCC(NC2CCC3CC2C3)CC1)C(C)(C)C,KLQVQYQDMVNDPX-UHFFFAOYSA-N
-rxn:2:84870:123131,CN(C)C1(C)CCC(N[C@H]2C3CCN(CC3)C2(C)C)CC1,VUZCQYQHTSDFRB-PQUAAJSLSA-N
-rxn:2:84870:155634,CC(C)S(=O)(=O)c1ccc(C(N[C@H]2C3CCN(CC3)C2(C)C)C2CCC2)cc1,YSEQNRVWQIRNDW-KEKNWZKVSA-N
-rxn:2:85594:92602,CC(F)(F)c1ncn(CCNC2CC(C[Si](C)(C)C)C23CCCC3)n1,OVZUGULKEMPBPI-UHFFFAOYSA-N
-rxn:2:86155:114727,CCOCc1cc(N2CCC(NCCC3C(c4cccnc4OC)C3(F)F)CC2)ncn1,WQAAUQCDZGSTQF-UHFFFAOYSA-N
-rxn:2:86155:128356,CCOCc1cc(N2CCC(NCCC3C(c4cnccc4OC)C3(F)F)CC2)ncn1,GJLURRCCKGXPRU-UHFFFAOYSA-N
-rxn:2:87384:114985,CN(C1CC(NC2CCN3CCC2CC3)C12CCC2)C(C)(C)C,NZLKHOULUDGZOF-UHFFFAOYSA-N
-rxn:2:87384:121920,CN(C1CC(NC2CC3CCN(CC3)C2)C12CCC2)C(C)(C)C,QTKGLMVHDCMSLL-UHFFFAOYSA-N
-rxn:2:87384:123400,CN(C1CC(NC2CC3CC4CC(C3)CC2C4)C12CCC2)C(C)(C)C,SVPPYCJXMHKELD-UHFFFAOYSA-N
-rxn:2:87384:128655,CN(C1CC(NC2CC3CC4CCCN3C4C2)C12CCC2)C(C)(C)C,NOIICDVMIBQJND-UHFFFAOYSA-N
-rxn:2:87384:137707,CN(C1CC(NC2CCC3CCC2CC3)C12CCC2)C(C)(C)C,VQURGVSUENPGBR-UHFFFAOYSA-N
-rxn:2:87384:139295,CN(C1CC(NC2CC3CC(C3)C2)C12CCC2)C(C)(C)C,GOMMQOGDIMIUQE-UHFFFAOYSA-N
-rxn:2:87384:140518,CN(C1CC(NC2CCN3CCCC2C3)C12CCC2)C(C)(C)C,YBDPCBIBHYSYNE-UHFFFAOYSA-N
-rxn:2:87384:141201,CN(C1CC(NC2CCC3CCC2C3)C12CCC2)C(C)(C)C,LCFWBDKVSMMTNK-UHFFFAOYSA-N
-rxn:2:87384:141415,CN(C1CC(NC2CC3CCCC2C3)C12CCC2)C(C)(C)C,USJDEOOXCCWKDS-UHFFFAOYSA-N
-rxn:2:87384:141472,CN(C1CC(NC2CC3CC2CC32CC2)C12CCC2)C(C)(C)C,ZCXIXDFHFBEBFR-UHFFFAOYSA-N
-rxn:2:87384:81393,CN(C1CC(NC2CCN3CCC2C3)C12CCC2)C(C)(C)C,LYLHLZTVXDJHBW-UHFFFAOYSA-N
-rxn:2:87384:96078,CN(C1CC(NC2CC3CCN(C3)C2)C12CCC2)C(C)(C)C,MMBRPCFXKGBQAV-UHFFFAOYSA-N
-rxn:2:87496:133419,CCC(NC(c1n[nH]c(=O)[nH]1)C1C2CC3CC(C2)CC1C3)c1cccc(S(=O)(=O)F)c1,BIKXZKHXDLNWFV-UHFFFAOYSA-N
-rxn:2:87906:163868,CO[C@H]1CCN(C2CCC(NC(c3cnc4cc5c(cc4c3C)OCO5)C3CC3)CC2)C1,AHKSNRUDMUPMEO-HXUKOAIJSA-N
-rxn:2:87932:74747,CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)[O-])C(NCc1ccn(CC3CC3)c(=O)c1)C2,XQGKRAVHGFUCCN-RMRANGLJSA-M
-rxn:2:88553:134221,CCC(Nc1ccc(N2CCOCC2)nc1OC)c1cnc(N2CCN(C)CC2)cc1C,IPVZCXQLMBRYSJ-UHFFFAOYSA-N
-rxn:2:88564:102895,CC12COC3(S(=O)(=O)[O-])C1CCC2(C)C3NCC1CC2CCC(C1)C2(F)F,IKVGNXLSOVCSHG-UHFFFAOYSA-M
-rxn:2:88564:103580,CC12COC3(S(=O)(=O)[O-])C1CCC2(C)C3NCC(F)(F)CN1CC2CC1CS2,RHJLMBCJAGHSLW-UHFFFAOYSA-M
-rxn:2:88564:108352,CC12COC3(S(=O)(=O)[O-])C1CCC2(C)C3NC12CCCCC(CN(C3CC3)C1)C2(F)F,XKJYLSHHRRYZBH-UHFFFAOYSA-M
-rxn:2:88564:113312,CC12COC3(S(=O)(=O)[O-])C1CCC2(C)C3NCC(F)(F)CN1CCN2CCC1C2,WWJKTGQAJHABLK-UHFFFAOYSA-M
-rxn:2:88564:115758,CC(C)(CONC1C2(C)CCC3C2(C)COC31S(=O)(=O)[O-])C1C2CC3CC(C2)CC1C3,CRFQNEAQCCIVSG-UHFFFAOYSA-M
-rxn:2:88564:119542,CC12COC3(S(=O)(=O)[O-])C1CCC2(C)C3NCC12CC3CC(F)(CC(F)(C3)C1)C2,DFOOCCRDPJREEU-UHFFFAOYSA-M
-rxn:2:88564:122528,CC(C)C(C)(CC12CC3CC(CC(C3)C1)C2)NC1C2(C)CCC3C2(C)COC31S(=O)(=O)[O-],XPFUHMANUWBDBM-UHFFFAOYSA-M
-rxn:2:88564:124801,CCC(C)(CNC1C2(C)CCC3C2(C)COC31S(=O)(=O)[O-])C1C2CC3CC(C2)CC1C3,PERFTAJYMVBVFK-UHFFFAOYSA-M
-rxn:2:88564:131539,CC(CNC1C2(C)CCC3C2(C)COC31S(=O)(=O)[O-])CN(C)C1C2CC3CC(C2)CC1C3,VIFJJLDZLSZVKC-UHFFFAOYSA-M
-rxn:2:88564:137518,CC12COC3(S(=O)(=O)[O-])C1CCC2(C)C3NCC1(F)CC2CCC1C2,CVSKDFQRSVQJOO-UHFFFAOYSA-M
-rxn:2:88564:137962,CC12COC3(S(=O)(=O)[O-])C1CCC2(C)C3NCC12CCCCC(CN(C3CC3)C1)C2(F)F,SLDNQFFUPYHBKB-UHFFFAOYSA-M
-rxn:2:88564:141998,CC12COC3(S(=O)(=O)[O-])C1CCC2(C)C3NCC#CC1C2CC3CC(C2)CC1C3,TYHHYZXCXUUZEG-UHFFFAOYSA-M
-rxn:2:88564:147013,Cc1ccccc1C(C1CC1)n1[nH]c(=O)cc1NC1C2(C)CCC3C2(C)COC31S(=O)(=O)[O-],SASKTTYTLMDTMW-UHFFFAOYSA-M
-rxn:2:88564:82251,CC12COC3(S(=O)(=O)[O-])C1CCC2(C)C3NCC(F)(F)CN1CC2CCC1C2,NGYHBKOYNGAZOC-UHFFFAOYSA-M
-rxn:2:88564:82390,CC(CC1C2CC3CC(C2)CC1C3)CC(C)(C)NC1C2(C)CCC3C2(C)COC31S(=O)(=O)[O-],QEVVZWNPUOZUAD-UHFFFAOYSA-M
-rxn:2:88564:85213,CC(CNC1C2(C)CCC3C2(C)COC31S(=O)(=O)[O-])OC12CC3CC(CC(C3)C1)C2,ARSYOYWJJVKMPY-UHFFFAOYSA-M
-rxn:2:88564:89817,CCC(CNC1C2(C)CCC3C2(C)COC31S(=O)(=O)[O-])(OC)C12CC3CC(CC(C3)C1)C2,KXTCXOGRNYUZBE-UHFFFAOYSA-M
-rxn:2:88564:92019,CC(NC1C2(C)CCC3C2(C)COC31S(=O)(=O)[O-])c1ccc(C2CC2)[nH]c1=O,PXJHBUPVWJWDLL-UHFFFAOYSA-M
-rxn:2:88564:99871,CCSC(CNC1C2(C)CCC3C2(C)COC31S(=O)(=O)[O-])C1C2CC3CC(C2)CC1C3,KFINHMZBQWMKCN-UHFFFAOYSA-M
-rxn:2:89130:103666,CC(C)CSC(=N)C(F)(F)c1cncc(C(C)NC2CCCC(c3n[nH]c(=O)[nH]3)C2)c1,VCKQPFDGGNKHRP-UHFFFAOYSA-N
-rxn:2:89130:137863,CC(C)CSC(=N)C(F)(F)c1cccc(C(C)NC2CCCC(c3n[nH]c(=O)[nH]3)C2)n1,OATKHYUCXRCPMZ-UHFFFAOYSA-N
-rxn:2:89161:118245,CCCOc1c(C(C)NCC(F)(F)C2(OC)CCOCC2)cnn1C(C)C,DBNUPJYWCPLGJG-UHFFFAOYSA-N
-rxn:2:89161:97163,CCOc1c(C(C)NCC(F)(F)C2(OC)CCOCC2)cnn1C(C)C,FLZLUCGUXOQKDI-UHFFFAOYSA-N
-rxn:2:89817:140699,CCCC(CS(=O)(=O)F)NCC(CC)(OC)C12CC3CC(CC(C3)C1)C2,JUNFLTJPAIEYND-UHFFFAOYSA-N
-rxn:2:90913:109324,CN1[C@H]2CC[C@@H](NC3CC4(CCC(C)(C)C4)C3)[C@@H]1CC2,YLOAJTOAVMPLNH-SYGRHNPNSA-N
-rxn:2:91363:74747,CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)[O-])C(N[C@H](CC1CC1)c1ccc(S(C)(=O)=O)cc1)C2,WCIZDPSGHZQCKJ-ZSQDWFPXSA-M
-rxn:2:91900:66006,CC(C)CSC(=N)C(F)(F)c1csc(C(C)NCC2CCN(c3nncc(=O)[nH]3)CC2)c1,KQNZRQCSDWPFFH-UHFFFAOYSA-N
-rxn:2:92094:104514,CC(NCC1(c2ncc(C3CCN(C)C3)[nH]2)CC1)c1ccn(CCCN(C)C)c(=O)c1,FFFIITVBZZYTSM-UHFFFAOYSA-N
-rxn:2:92200:77696,CC1CC(NC(C#CCC2CCCCC2)c2ccccc2)CCC1(C)C,MLAPTXRXGXPZSY-UHFFFAOYSA-N
-rxn:2:93885:138126,C=C=CC(NCC(F)(F)CN1CCCSCC1)C(C)(C)C,LKRNKEIKQWWNIG-UHFFFAOYSA-N
-rxn:2:93964:94440,CCC(NCC(F)(F)CN1CCCN(C)CC1)c1ccc(N2CCN(C)CC2)nc1,XARSIJMIGAFCJB-UHFFFAOYSA-N
-rxn:2:94737:125496,CCC(NCc1ccc(C(C)(C)C)cc1)C1CCCN(C2CCCC2)C1,SSGFVLNPQFHGGW-UHFFFAOYSA-N
-rxn:2:96512:118157,O=S(=O)(CCNC1CC2C(C1)C1CN(C3CC3)CC2C1(F)F)c1cn[nH]c1,SYKAGIJZFPXDRS-UHFFFAOYSA-N
-rxn:2:96571:88564,CC(NC1C2(C)CCC3C2(C)COC31S(=O)(=O)[O-])C1C2CC3CC(C2)CC1C3,WJUBCTOXPOMSOI-UHFFFAOYSA-M
-rxn:2:96676:90749,COCC1CC(F)(F)CN1CCNC(c1cnc(C)nc1OC)C(C)C,NIEDKEMSUODRMF-UHFFFAOYSA-N
-rxn:2:97227:110182,CCOCC1CCCN(c2ccc(NC(CC)C3(c4ccccc4)CCN(C)CC3)cn2)C1,NBHSICYBCHXEGZ-UHFFFAOYSA-N
-rxn:2:97227:125092,CCOCC1CCCN(c2ccc(NC(C)CC(c3ccccn3)N3CCN(C)CC3)cn2)C1,GJUPDMWHBQHKNV-UHFFFAOYSA-N
-rxn:2:97227:130197,CCOCC1CCCN(c2ccc(NC(CC)c3ccc(N4CCN(C)CC4)nc3C)cn2)C1,VPWJJPPMPAEFRB-UHFFFAOYSA-N
-rxn:2:97486:109800,CCC(C(NCC(F)(F)C1CCN(C)CC1)c1ccccc1)N1CCCOCC1,VZQAVAFROXFVCY-UHFFFAOYSA-N
-rxn:2:97486:148378,CCCC(NCC(F)(F)C1CCN(C)CC1)c1ccc(-c2cnn(C3CCOCC3)c2)cc1,WHSXWIVGJPNSHC-UHFFFAOYSA-N
-rxn:2:99044:101466,CCOCC1CN(c2ccc(NC(C)CC(c3ccccn3)N3CCOCC3)cc2)CC1C,JMOUAYOZDLQMHK-UHFFFAOYSA-N
-rxn:2:99044:109813,CCOCC1CN(c2ccc(NC(C)CC(c3ccncc3)N3CCOCC3)cc2)CC1C,GZUMAHJBUMYJFK-UHFFFAOYSA-N
-rxn:2:99413:125295,C[Si](C)(C)OC1(CNC2CC(CS(=O)(=O)F)C2)CN2CCC1CC2,QCZUZXPDQGRSNJ-UHFFFAOYSA-N
-rxn:2:99502:93074,CN1CC2CN(C3CC3)CC(CNC3CC(CS(=O)(=O)c4ccccc4)C3)(C1)C2(F)F,IOJYHHMTAARUSQ-UHFFFAOYSA-N
-rxn:2:99521:118025,CC1CCN(CCCC(NCC23CC(S(C)(=O)=O)(CO2)C3)c2ccccc2)C1,RLJXIEGWKVRDQQ-UHFFFAOYSA-N
-rxn:2:99521:127625,COc1cccc(C(CN2CCCC2)NCC23CC(S(C)(=O)=O)(CO2)C3)c1,TZBWJOKDNHLUSB-UHFFFAOYSA-N
-rxn:2:99521:128657,COc1cccc(C(CN2CCN(C)CC2)NCC23CC(S(C)(=O)=O)(CO2)C3)c1,VBTNCELVPNCWCF-UHFFFAOYSA-N
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-rxn:2:99521:165827,COc1ncccc1-c1ccc(C(NCC23CC(S(C)(=O)=O)(CO2)C3)C(C)C2CC2)cc1,NTECMRUQXWUJTB-UHFFFAOYSA-N
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-rxn:2:99521:85171,COc1ccc(C(CN2CCN(C)CC2)NCC23CC(S(C)(=O)=O)(CO2)C3)cc1,ZUASJAQBXRWJGG-UHFFFAOYSA-N
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-rxn:2:100605:171310,CCC(C)c1ccc(-c2cc3c(cc2OC)C(NC2(c4ncc(C5CCN(C)CC5)[nH]4)CC2)CC3)cc1,YPQQWUMASMCXGD-UHFFFAOYSA-N
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-rxn:2:112507:168438,CCC(NCCN1CCC2(CC1)CC(OC)CCO2)c1cnc(N2CCc3ccccc32)c(C)c1,BMVSIQOHTDEHEV-UHFFFAOYSA-N
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-rxn:2:117825:130994,CCOCC1CCCN(c2ncccc2NC(c2ccnn2C)C2CC3(CCC3)C2)C1,OUJAWWRXDPGELS-UHFFFAOYSA-N
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-rxn:2:120795:160422,CN1C(CNC2CCN(c3ccc(S(C)(=O)=O)cc3)CC2)CN(Cc2ccncc2)CC1(C)C,KGWYQHBCZRCVMA-UHFFFAOYSA-N
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-rxn:2:122361:126600,Cc1ccc(C(C)NC2CCN(C3CCN(C)CC3)C2)c(OS(=O)(=O)F)c1,HDVVPCDPOZYYRL-UHFFFAOYSA-N
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-rxn:2:124562:71908,CC(C)(Cc1ccc(C(F)(F)C2CC2)cc1)NC1CCC(c2nccc(C3CCCCC3)n2)CC1,NWOHYUHQAIIWKI-UHFFFAOYSA-N
-rxn:2:124595:125092,CC(CC(c1ccccn1)N1CCN(C)CC1)NCC1(S(=O)(=O)C(C)(C)C)CC1,CUOQLECQCXEWNG-UHFFFAOYSA-N
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-rxn:2:125620:170893,COCCn1cnc2c(c1=O)CCC(NC(C)c1ccc(C)c(-c3ccc(N4CCCCC4)nc3)c1)CC2,KGAMKXIPDSOBEN-UHFFFAOYSA-N
-rxn:2:125722:143265,CCc1ccc(N2CCC(OC)CC2)c(NC(CN2CCOCC2)c2c(C)nc3ccccn23)c1,WKKAMTLAGMCUJU-UHFFFAOYSA-N
-rxn:2:125722:148780,CCc1ccc(N2CCC(OC)CC2)c(NC(C)c2ncc(-c3ccccc3CN3CCOCC3)cn2)c1,NAVLCPOPFKNDCQ-UHFFFAOYSA-N
-rxn:2:125722:152052,CCc1ccc(N2CCC(OC)CC2)c(NC(C)c2cccc(-c3ccnc(N4CCOCC4)c3)c2C)c1,PBXWDDQBBRFVIW-UHFFFAOYSA-N
-rxn:2:125722:153921,CCc1ccc(N2CCC(OC)CC2)c(NC(C)c2ncccc2-c2ccc(CN3CCOCC3)cc2)c1,CBMPPNDDALGBCK-UHFFFAOYSA-N
-rxn:2:125722:158174,CCc1ccc(N2CCC(OC)CC2)c(NC2CCc3ccc(-c4ccc(N5CCOCC5)nn4)cc32)c1,CWGUQZSIOTXIDB-UHFFFAOYSA-N
-rxn:2:125722:166525,CCc1ccc(N2CCC(OC)CC2)c(NC(C)c2c(N3CCOCC3)[nH]c3c(C)c(C)ccc23)c1,TXJZNTIKFHGBRX-UHFFFAOYSA-N
-rxn:2:125722:172500,CCc1ccc(N2CCC(OC)CC2)c(NC2CCCc3cc(-c4ccnn4CCC(C)C)ccc32)c1,VPZHVYNLIQQFQZ-UHFFFAOYSA-N
-rxn:2:126170:144020,CCCC(C(Nc1cc(C2CCC2)nn1-c1cccnc1OC)c1ccc2c(c1)CCC2)N1CCCC1,VATGLZFOEAJFTC-UHFFFAOYSA-N
-rxn:2:126327:163067,CCC1COCCN1C1(CNC(c2ccc(-c3nc4ccsc4c(=O)[nH]3)cc2)C(C)C)CCN(C)C1,GBIJVGVIQNQVGC-UHFFFAOYSA-N
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-rxn:2:126600:136368,Cc1ccc(C(C)NC2CCN(c3cc(C4CCCC4)ncn3)CC2)c(OS(=O)(=O)F)c1,WRMHOEZDFGAJTA-UHFFFAOYSA-N
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-rxn:2:127484:133018,CCC1(OC)CCC(NC2(c3cccc(C4COCCO4)c3)CC2)CC1,WTBDLAFHELDFGW-UHFFFAOYSA-N
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-rxn:2:128748:167550,CCCOc1cc(N2CCN(C)CC2)ccc1NC(C)c1sc(-c2ccc(N3CCCC3)nc2)nc1C,HBRYVJYJZJFQHL-UHFFFAOYSA-N
-rxn:2:129411:131786,CCCN1CCC(Oc2ncc(NC(C)c3cccc(C(F)C4CCN(C)CC4)c3)cn2)CC1,CSMGDVJPZNRNRM-UHFFFAOYSA-N
-rxn:2:130474:147508,CCCC1CCN(c2cc(CNC(C)c3ccc(OC)c(-c4cnn(C5CCCC5)c4)c3)ccn2)CC1,XLPMOYXWGNAZPA-UHFFFAOYSA-N
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-rxn:2:131357:172373,CCCC(C(Nc1ccc(C2CCN(C)CC2)nc1OC(C)C)c1ccc2ccccc2c1)N1CCCC1,CLTRPZBCVCKFDN-UHFFFAOYSA-N
-rxn:2:132597:125863,CCN1CCN(c2ncc(C(C)Nc3ccc(N4CCOCC4)cc3OC)c(C)n2)CC1,DVUNKDZDKOFUHH-UHFFFAOYSA-N
-rxn:2:136038:149333,CCOC1CCN(c2nc(C)ccc2CNC(C)c2ccc(-c3ccc(N4CCCC4)nc3)cc2OC)CC1,FSZUSKNSIJVKPJ-UHFFFAOYSA-N
-rxn:2:136378:156747,CN1CCC(c2ccc3occc3c2)C(NC2CCN(CCOS(C)(=O)=O)CC2)C1,QVYKGGYOVWKACU-UHFFFAOYSA-N
-rxn:2:136437:103107,CCC(Nc1ccc(N2CC3(CN(C)C3)C2)cc1OC)c1cnc(N2CCN(C)CC2)c(C)c1,SVLRZGCHZSIBFN-UHFFFAOYSA-N
-rxn:2:136437:173222,CCC(Nc1ccc(N2CC3(CN(C)C3)C2)cc1OC)c1ccc2[nH]c(C3CCCCC3)nc2c1,GJOVUNPWRDACPH-UHFFFAOYSA-N
-rxn:2:136437:92162,CCCC(CN1CCN(c2ncccn2)CC1)Nc1ccc(N2CC3(CN(C)C3)C2)cc1OC,BZIRHPJSJAYWBP-UHFFFAOYSA-N
-rxn:2:136805:170273,CCC(NCC1C(c2cnc(OC)nc2OC)C1(F)F)c1cccc(-c2ccc(N3CCCCC3)nc2)c1,CAMWFQQQTDXHFG-UHFFFAOYSA-N
-rxn:2:138055:171292,CCC(C)c1ccccc1-c1cc2c(cc1OC)C(Nc1cnc(OCC3CCN(C4CC4)CC3)nc1)CC2,RAYMAHDJMDHBDX-UHFFFAOYSA-N
-rxn:2:138984:168837,Cc1cc2c(cc1-c1cnn(S(C)(=O)=O)c1)C(NC1CCC(N(C)C3CCC3)CC1)CC2,SRQYTNIKVVNPEU-UHFFFAOYSA-N
-rxn:2:139310:143097,CC(NCC1CC(OS(C)(=O)=O)C1)c1cccc(-c2ccnc(N3CCN(C)CC3)c2)n1,XFENCZBHRUTLDD-UHFFFAOYSA-N
-rxn:2:139310:149971,CC(NCC1CC(OS(C)(=O)=O)C1)c1cc(-c2ccnc(N3CCN(C)CC3)c2)ccn1,RMIAWMPLUNQPNY-UHFFFAOYSA-N
-rxn:2:139310:165086,CC(NCC1CC(OS(C)(=O)=O)C1)c1ccnc(-c2ccc(N3CCN(C)CC3)nc2)c1,IDVWFZRYDIEJSO-UHFFFAOYSA-N
-rxn:2:139441:135871,CC(NC1CCN(C(C)C2CCCCC2)CC1)c1ccccc1C(C)(C)C,HVWAPHDKLRXZEO-UHFFFAOYSA-N
-rxn:2:140239:169228,CC(C)(C)c1ccc2c(c1)C(NC1CCCCCCCCC1)c1cc(C(C)(C)C)ccc1-2,NJEVIXZBRYNMKP-UHFFFAOYSA-N
-rxn:2:140449:110182,CCC(Nc1ccccc1OCCN1CCC(C)(C)CC1)C1(c2ccccc2)CCN(C)CC1,MBSWAGCWDILCMB-UHFFFAOYSA-N
-rxn:2:140492:147508,COCc1cc(N2CCC(NC(C)c3ccc(OC)c(-c4cnn(C5CCCC5)c4)c3)C2)nc(C2CC2)n1,RUHHJLHGQJQPID-UHFFFAOYSA-N
-rxn:2:140492:170429,COCc1cc(N2CCC(NC3CCC(c4ccc(-c5c(C)cccc5OC)cc4)CC3)C2)nc(C2CC2)n1,IZEMKMCLVUDCDC-UHFFFAOYSA-N
-rxn:2:140982:171292,CCC(C)c1ccccc1-c1cc2c(cc1OC)C(Nc1cnc(OCC3CCCCN3C3CC3)nc1)CC2,YATPSOQDXGPNSG-UHFFFAOYSA-N
-rxn:2:140982:171310,CCC(C)c1ccc(-c2cc3c(cc2OC)C(Nc2cnc(OCC4CCCCN4C4CC4)nc2)CC3)cc1,YQWXMVKEBPEGCA-UHFFFAOYSA-N
-rxn:2:144020:171582,CCCC(C(Nc1cc(C2CCC2)nn1-c1cccnc1OC)c1ccc2c(c1)CCCC2)N1CCCC1,KRJFGEKYDMCQFM-UHFFFAOYSA-N
-rxn:2:144237:165405,CC(=O)c1cncc(C2C(CSC(C)NC3(C(c4ccc5[nH]cnc5c4)N(C)C)CC3)C2(F)F)c1,OEIJSPFAJRMGMD-UHFFFAOYSA-N
-rxn:2:144460:155927,CCC(NC1(c2nc(-c3nncn3C3CC3)c[nH]2)CCC1)c1cccc(C2C(CSC(C)=O)C2(F)F)c1,HMNMRAKFTNVOCN-UHFFFAOYSA-N
-rxn:2:147775:171582,CCCC(C(Nc1c2c(nc3c(OC)cccc13)CCCCC2)c1ccc2c(c1)CCCC2)N1CCCC1,RHYVLWRUFAXTIN-UHFFFAOYSA-N
-rxn:2:149302:171582,CCCC(C(Nc1ccc2c(c1)C(c1ccccc1OC)N=N2)c1ccc2c(c1)CCCC2)N1CCCC1,AVMOETFUJVSKCN-UHFFFAOYSA-N
-rxn:2:150709:171582,CCCC(C(Nc1cc(C2CC2)nn1-c1cccnc1OC)c1ccc2c(c1)CCCC2)N1CCCC1,QQTRJDGOYVUGPR-UHFFFAOYSA-N
-rxn:2:156071:140137,CC1(C(NC2CCC3C2COC3(C)C)c2cccc(S(C)(=O)=O)c2)CC1,QYHXSHSXYHHOBP-UHFFFAOYSA-N
-rxn:2:168466:115389,CCC(C(Nc1noc2cccc(OCC3CCCC3)c12)c1ccc2c(c1)CCCC2)N1CCCC1,BDCDWFHASJGDJP-UHFFFAOYSA-N
-rxn:2:65964:126600,Cc1ccc(C(C)NC2CCN(c3cc(C4CCOC4)ncn3)CC2)c(OS(=O)(=O)F)c1,CSNQBJGWYRQVOO-UHFFFAOYSA-N
-rxn:2:66038:143097,CC(NC1CCC(OS(C)(=O)=O)CC1)c1cccc(-c2ccnc(N3CCN(C)CC3)c2)n1,BGZRPSCPGQRGII-UHFFFAOYSA-N
-rxn:2:66038:145413,CC(NC1CCC(OS(C)(=O)=O)CC1)c1cccc(-c2ccc(N3CCN(C)CC3)nc2)n1,DRKWOUXKRMLROJ-UHFFFAOYSA-N
-rxn:2:66038:149971,CC(NC1CCC(OS(C)(=O)=O)CC1)c1cc(-c2ccnc(N3CCN(C)CC3)c2)ccn1,LZSHSHTXTGWBTN-UHFFFAOYSA-N
-rxn:2:66038:162039,CN1CCN2c3ncccc3C(NC3CCC(OS(C)(=O)=O)CC3)c3ccccc3[C@H]2C1,UVIWXYNGKJUIDQ-DFBHUSRRSA-N
-rxn:2:66038:162854,CC(NC1CCC(OS(C)(=O)=O)CC1)c1ccc(-c2ccc(N3CCN(C)CC3)nc2)cn1,SLWXUUSVKSDPFX-UHFFFAOYSA-N
-rxn:2:66407:167778,CCC(NC(C)c1cc2c(cc1-c1cccnc1OC)OCCO2)c1ccc(N2CCN(C)CC2)nc1C,CELXJTIRDMNDGE-UHFFFAOYSA-N
-rxn:2:66843:136378,CC(NC1CCN(CCOS(C)(=O)=O)CC1)c1ccc(N2CCC(F)C2)cc1,DHZGDINOGQDPEB-UHFFFAOYSA-N
-rxn:2:67144:155264,CC(NCCCN1CCC(N2CCOCC2)CC1)c1sccc1-c1cccnc1S(C)(=O)=O,XCOQPYHPZLGQNP-UHFFFAOYSA-N
-rxn:2:67616:157049,CN1C2CCC1CC(CNC1CC3(CS(=O)(=O)C3)Oc3ccccc31)(N1CCCC1)C2,WRECWJPPWZVTIP-UHFFFAOYSA-N
-rxn:2:67983:146699,CCC(NCCCN1CCCC(OC)C1)c1cccc(-c2ccc(N3CCCC3)nc2)c1,JWDMWTXRCMQTED-UHFFFAOYSA-N
-rxn:2:67983:159934,COC1CCCN(CCCNC(c2ccc(-c3ccnc(N4CCCC4)n3)cc2)C(C)C)C1,RAEGQYGHSVYTQQ-UHFFFAOYSA-N
-rxn:2:68241:117066,CC(NCC(C1CC1)N(C)C1CCOCC1)c1ccc(OS(=O)(=O)[O-])cc1,PKVZMQZMRPVNOW-UHFFFAOYSA-M
-rxn:2:68241:126600,Cc1ccc(C(C)NCC(C2CC2)N(C)C2CCOCC2)c(OS(=O)(=O)F)c1,SULOJVPEKLJSKB-UHFFFAOYSA-N
-rxn:2:68577:153335,CCS(=O)(=O)c1ccc(C(NCCCN2CCC(N3CCCC3)CC2)C2CCCC2)cc1,XSOIGYRHMSTMPY-UHFFFAOYSA-N
-rxn:2:68654:145974,COC1CCC(N2CCC(NC(COc3ccc4c(c3)OCO4)c3c[nH]c4ccccc34)CC2)CC1,DMXZFKKEPGGOKX-UHFFFAOYSA-N
-rxn:2:69035:94440,CCC(Nc1ccc(N2CCC(N(C)C)CC2)cc1OC)c1ccc(N2CCN(C)CC2)nc1,HUOXMVXDJNQCRH-UHFFFAOYSA-N
-rxn:2:69415:107393,CC1Cc2nc(N3CCN(C)CC3)ncc2C(Nc2ccc(OS(=O)(=O)F)c(C(C)C)c2)C1,QTFIBVSTNSVSFL-UHFFFAOYSA-N
-rxn:2:69415:155589,Cc1cccc2c1C(Nc1ccc(OS(=O)(=O)F)c(C(C)C)c1)C1C(CCN3CCCC13)O2,LFQGBIAFXMFGED-UHFFFAOYSA-N
-rxn:2:69415:79402,CC(C)c1cc(NC2CCC(c3nccc(C4CCN(C)C4)n3)CC2)ccc1OS(=O)(=O)F,YTMIVFNVSHLIPJ-UHFFFAOYSA-N
-rxn:2:69415:92135,CC1Cc2nc(N3CCSCC3)ncc2C(Nc2ccc(OS(=O)(=O)F)c(C(C)C)c2)C1,KWFPGVJLVUXHOD-UHFFFAOYSA-N
-rxn:2:69661:168772,CCC1CCC(CNC(C)c2c[nH]c3ncc(-c4ccc(COC)cc4)cc23)(N2CCC(C)CC2)CC1,WOWFKQBRNXAJEY-UHFFFAOYSA-N
-rxn:2:69927:117494,CN1CCC2(C1)Oc1ccccc1C2CNCC1CCN(CCS(C)(=O)=O)C1,KYNVWJMCEZPDPD-UHFFFAOYSA-N
-rxn:2:70325:126170,CCCC(C(NC1CCN(c2ccccc2OC)CC1)c1ccc2c(c1)CCC2)N1CCCC1,WXHSOORGKBCGRT-UHFFFAOYSA-N
-rxn:2:71408:122938,CCC(NC1CCCc2c(OCC3CCCC3)cccc21)c1cc2c3c(c1)CCN3CCC2,FFBMRFQZWIBARR-UHFFFAOYSA-N
-rxn:2:71443:142933,CCCC(NCC1(C2c3ccc(OC)cc3CCN2C)CC1)c1ccc(-c2ccnc(N3CCCC3)n2)cc1,XASMAGNWYRNEQR-UHFFFAOYSA-N
-rxn:2:71443:153182,CCC(NCC1(C2c3ccc(OC)cc3CCN2C)CC1)c1ccc(-c2cnn(C3CCOC3)c2)cc1,ZNWHYUGLTLCRIW-UHFFFAOYSA-N
-rxn:2:71908:123413,O=S(=O)(F)c1ccc(C#CCCNC2CCC(c3nccc(C4CCCCC4)n3)CC2)cc1,MPRDAHFSBUPZPW-UHFFFAOYSA-N
-rxn:2:72333:111431,CCN(CC(NCC1(S(=O)(=O)CC)CCCC1)c1ccn(C)c1)C1CC1,LJNDFFKQSLGQLE-UHFFFAOYSA-N
-rxn:2:72333:89462,CCN(CC(NCC1(S(=O)(=O)CC)CCC1)c1ccn(C)c1)C1CC1,ZELPEYDXIOBLIT-UHFFFAOYSA-N
-rxn:2:72663:92636,CCCN(C)CC(NCC1(S(=O)(=O)CC)CC2(CC2)C1)c1cccs1,XLXGOFBDZMAAFZ-UHFFFAOYSA-N
-rxn:2:73056:79800,C[C@@H]1CC(NCCS(=O)(=O)N=S(C)(C)=O)C[C@@H](C)N1Cc1ccccc1,CUIAEGKIFDQJTF-HZPDHXFCSA-N
-rxn:2:73080:89174,CCCC(Nc1ccc(OC)c(OS(=O)(=O)F)c1)C1CCN(C2CCC2)C1,AQRCBLMRIVHOLF-UHFFFAOYSA-N
-rxn:2:73657:156580,COCC1C(F)(F)C12CCC(NC(C)c1c[nH]c3ncc(-c4cnc(N(C)C)cc4C)cc13)CC2,PKQFVMAKAPNKKJ-UHFFFAOYSA-N
-rxn:2:73702:172373,CCCC(C(NC1CC2(CCN(C)CC2)Oc2ccccc21)c1ccc2ccccc2c1)N1CCCC1,QTUUMQFKYGNOHU-UHFFFAOYSA-N
-rxn:2:74090:155396,CC(=O)c1ccc(C2C(CSC(C)NC3(c4ncc[nH]4)CC(C)CC(C)C3)C2(F)F)nc1,OAMJTZRSZDMMPR-UHFFFAOYSA-N
-rxn:2:74134:141610,CC(NCC(C1CCOC1)N(C)C1CCCN(C)C1)c1ccc(S(=O)(=O)[O-])cc1,OFMNXCNTIWSFLX-UHFFFAOYSA-M
-rxn:2:74771:126600,Cc1ccc(C(C)NCC2CN(c3ncc(C4CCC4)cn3)CCO2)c(OS(=O)(=O)F)c1,CYEOIWHOEUWEBS-UHFFFAOYSA-N
-rxn:2:74951:139626,CCOC1CCCN(c2cccc(NC(C)c3cc4c5c(c3)CCCCC5CCCC4)c2)C1,OOGHLFXVOSNJNO-UHFFFAOYSA-N
-rxn:2:74951:88993,CC(Nc1c(OC2CC2)cncc1C(C)(C)C)c1cc2c3c(c1)CCCCC3CCCC2,PYKKWVSUOOKFQC-UHFFFAOYSA-N
-rxn:2:75130:112215,CCOCC1CCN(c2ncccc2NC(c2ccc3c(c2)CCC3)C(CC)N2CCCC2)CC1,QRBLDNGOKYBBAQ-UHFFFAOYSA-N
-rxn:2:75569:136378,Cc1ccc(N2C[C@@H](F)C[C@H](NC3CCN(CCOS(C)(=O)=O)CC3)C2)cn1,MDNBIMFIERNUES-WMZOPIPTSA-N
-rxn:2:75610:137153,CCCN1CCN(c2ccc(NC(C)c3cnc(N4CCCC4)nc3C)c(OC)c2)CC1,GHLPYKSQNWYHMJ-UHFFFAOYSA-N
-rxn:2:75610:158881,CCCN1CCN(c2ccc(NC(C)c3ccc(-c4nccc(N5CCOCC5)n4)cn3)c(OC)c2)CC1,IOAQPKZDAOMYGJ-UHFFFAOYSA-N
-rxn:2:76532:142277,COC1CCOC2(CCN(CCCNC3c4cccc(-c5cccnc5)c4CC3C)CC2)C1,KOVSLTSYUAEECL-UHFFFAOYSA-N
-rxn:2:76532:145641,COc1ccncc1-c1ccc(C(NCCCN2CCC3(CC2)CC(OC)CCO3)c2cccnc2)cc1,OYVLQTZPLCUIKH-UHFFFAOYSA-N
-rxn:2:76532:151749,COC1CCOC2(CCN(CCCNC(c3cnc4ccccc4c3)C3CC3)CC2)C1,SQLWYDQUTBSQJY-UHFFFAOYSA-N
-rxn:2:76532:156337,COC1CCOC2(CCN(CCCNC(c3ccc4[nH]c(-c5ccccc5)nc4c3)C3CC3)CC2)C1,WIBBWCUGTAAAPA-UHFFFAOYSA-N
-rxn:2:76532:171826,CCc1ccc(C(NCCCN2CCC3(CC2)CC(OC)CCO3)c2cnc3ccccc3c2)cc1,SYSADDGRARWUJQ-UHFFFAOYSA-N
-rxn:2:76532:94059,CCC(Cc1nccc2ccccc12)NCCCN1CCC2(CC1)CC(OC)CCO2,GGLFEXVYCPPWTN-UHFFFAOYSA-N
-rxn:2:76830:168772,CCC1CCC(CNC(C)c2c[nH]c3ncc(-c4ccc(COC)cc4)cc23)(N2CCCCC2)CC1,XVCAUWMPZDGHTH-UHFFFAOYSA-N
-rxn:2:76870:84594,CN(C)C1CC(NC2CCC(N(C)C(C)(C)C)CC2)C1,IIGQFIMOFPUMNY-UHFFFAOYSA-N
-rxn:2:77613:116635,COCC(NC1CCN(C2(c3ccccc3)CC2)CC1)c1ccc2c(c1)CCC(C)(C)O2,MJXJJLBVVPYZOZ-UHFFFAOYSA-N
-rxn:2:77613:157819,COCC(NC1CCc2ccc(-c3cc(C)nc(N4CCCC4)n3)cc21)c1ccc2c(c1)CCC(C)(C)O2,FXWKELAABPTGMR-UHFFFAOYSA-N
-rxn:2:77613:159280,COCC(NC1CCOc2ccc(-c3ccc(N4CCCC4)nc3)cc21)c1ccc2c(c1)CCC(C)(C)O2,PVRGTQQGVTZKKN-UHFFFAOYSA-N
-rxn:2:77613:159581,COCC(NC1CCC(N2CCc3cc4ccccc4nc32)CC1)c1ccc2c(c1)CCC(C)(C)O2,FLJMCOVBRNRIOH-UHFFFAOYSA-N
-rxn:2:77613:82094,COCC(NC(c1cccc(CN2CCN(C)CC2)c1)C1CC1)c1ccc2c(c1)CCC(C)(C)O2,VVYHVJOBGKZKNP-UHFFFAOYSA-N
-rxn:2:79025:126600,Cc1ccc(C(C)Nc2cc(N3CCN(C4CCCC4)CC3)ncn2)c(OS(=O)(=O)F)c1,GXYKLKVDPYYWJP-UHFFFAOYSA-N
-rxn:2:79402:85571,CCc1cc(OS(=O)(=O)F)ccc1NC1CCC(c2nccc(C3CCN(C)C3)n2)CC1,OWQVKYLKTBAUSC-UHFFFAOYSA-N
-rxn:2:79550:142933,CCCC(NC1(Cc2cc(C)ccc2OC)CCN(C)CC1)c1ccc(-c2ccnc(N3CCCC3)n2)cc1,GQBGZJRXXLKVFT-UHFFFAOYSA-N
-rxn:2:79800:152052,Cc1c(-c2ccnc(N3CCOCC3)c2)cccc1C(C)NCCS(=O)(=O)N=S(C)(C)=O,YZMPXLUJAUXHAA-UHFFFAOYSA-N
-rxn:2:79869:171582,CCCC(C(Nc1ncccc1OCC1CC(F)C1)c1ccc2c(c1)CCCC2)N1CCCC1,SXJSGADNWJCNIL-UHFFFAOYSA-N
-rxn:2:79960:114653,CC(C)COCC(NC1CCN(Cc2cc(C3CC3)n[nH]2)C1)c1ccc2c(c1)CCC2,YTHMVIYHJJGNPD-UHFFFAOYSA-N
-rxn:2:79960:96398,CCCc1nc(NC(COCC(C)C)c2ccc3c(c2)CCC3)cc2c1CCCCCC2,CIIPDRLZLMHGCY-UHFFFAOYSA-N
-rxn:2:80074:112215,CCC(C(NC1CCN(c2ccc(OC)cc2)CC1)c1ccc2c(c1)CCC2)N1CCCC1,KDAHAYBKBMEGGW-UHFFFAOYSA-N
-rxn:2:80074:115389,CCC(C(NC1CCN(c2ccc(OC)cc2)CC1)c1ccc2c(c1)CCCC2)N1CCCC1,JOJATZGVTOMQPX-UHFFFAOYSA-N
-rxn:2:80895:144367,CCC(C)N1C(CCNC(c2ccccn2)c2ccccc2-c2cccn(C)c2=O)CN(C)CCC1(C)C,YSMAFWHEWOQPBQ-UHFFFAOYSA-N
-rxn:2:81023:170459,COCCC(NC1CCC(C)(C)c2ccc(-c3cccc4c3OCC4)cc21)C1CCCCC1,SNGFRHFATKURKR-UHFFFAOYSA-N
-rxn:2:81176:113283,COc1cccc2c1CC(C)(C)CC2NC(c1ccc(CN2CCC2)cc1)C1CCCCC1,OAPZQMNNFJXHBM-UHFFFAOYSA-N
-rxn:2:81176:122663,COc1cccc2c1CC(C)(C)CC2NC(c1ccc(CN2CCCCC2)cc1)C1CC1,PLDHYQPFRBYNEL-UHFFFAOYSA-N
-rxn:2:81176:126194,COc1cccc2c1CC(C)(C)CC2NC(c1ccc(CN2CCCCC2)cc1)C1CCC1,VGGJLGXKTRESRJ-UHFFFAOYSA-N
-rxn:2:81176:85399,COc1cccc2c1CC(C)(C)CC2NC(c1ccc(CN2CCCC2)cc1)C1CCCCC1,JUPPSCYFXSUTFK-UHFFFAOYSA-N
-rxn:2:82201:168772,CCC1CCN(C2(CNC(C)c3c[nH]c4ncc(-c5ccc(COC)cc5)cc34)CCSCC2)CC1,QNKVKRCGEFKQBU-UHFFFAOYSA-N
-rxn:2:82219:142451,CC(=O)c1cncc(C2C(CCSC(C)NC3(c4ncn[nH]4)CCC(C)(C)CC3)C2(F)F)c1,YSWBEIJBBJJZLT-UHFFFAOYSA-N
-rxn:2:82219:152761,CC(=O)c1cccc(C2C(CCSC(C)NC3(c4ncn[nH]4)CCC(C)(C)CC3)C2(F)F)n1,WKMWCRZZVMLGET-UHFFFAOYSA-N
-rxn:2:82524:162580,CCC(NCc1ccnc(N2CCN(CC)CC2)c1)c1ccc(N2CCS(=O)(=O)CC2)nc1,WHDKTJPCKVXEDY-UHFFFAOYSA-N
-rxn:2:82720:162583,Cc1ccccc1N1CC2CN(C)CC(C1)C2NC(c1ccc(-c2cnn(S(C)(=O)=O)c2)cc1)C1CC1,IBIWUGSOWAFZJQ-UHFFFAOYSA-N
-rxn:2:83490:144020,CCCC(C(Nc1cc(C2CCC2)nn1-c1cccnc1OC)c1ccc2c(c1)CCO2)N1CCCC1,LFHHBVPPRMYPAD-UHFFFAOYSA-N
-rxn:2:83925:162580,CCC(NCc1ccc(N2CCC(N(C)C)CC2)nc1)c1ccc(N2CCS(=O)(=O)CC2)nc1,LDZOMEZWKUSTSF-UHFFFAOYSA-N
-rxn:2:83993:122938,CCC(NC1CCCc2ccc(OCC3CCC3)cc21)c1cc2c3c(c1)CCN3CCC2,VHPGYKRVGPRISS-UHFFFAOYSA-N
-rxn:2:84594:134539,CN(C1CCC(NCCC(C2CC2)C2CC2)CC1)C(C)(C)C,PZFOHKATXNBTMA-UHFFFAOYSA-N
-rxn:2:84594:93076,CC(NC1CCC(N(C)C(C)(C)C)CC1)C(C1CC1)C1CC1,ZYSGOBFIDROAOQ-UHFFFAOYSA-N
-rxn:2:85038:94524,CCCCN(C)c1cc(N2CCC(Nc3ccc(N4CCC(F)(F)CC4)c(OC)c3)CC2)ncn1,KASIYEZZWFFSNG-UHFFFAOYSA-N
-rxn:2:85880:136954,CCC(C)(CNC1c2ccccc2N(C2CCCC2)C12CC2)OC1CCC1,COBOCRSXFDURDT-UHFFFAOYSA-N
-rxn:2:86989:170459,COCCC1(NC2CCC(C)(C)c3ccc(-c4cccc5c4OCC5)cc32)CCCCC1,HAXOIXUJPUSRNR-UHFFFAOYSA-N
-rxn:2:87024:145974,COC1CCN(C(CNC(COc2ccc3c(c2)OCO3)c2c[nH]c3ccccc23)C2CC2)CC1,LIYTWBRBLUQQQB-UHFFFAOYSA-N
-rxn:2:87184:109800,CCC(C(Nc1nc(COC)nc(N2CCCCC2)n1)c1ccccc1)N1CCCOCC1,OQXUPMRGJYYONX-UHFFFAOYSA-N
-rxn:2:87496:106925,CCC(NCCN1CC2(CCN(C)CC2)C1)c1cccc(S(=O)(=O)F)c1,BQATUPUYHQFFRE-UHFFFAOYSA-N
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-rxn:2:125576:162580,CCC(NCc1ccc(OCC2CCOCC2)nc1)c1ccc(N2CCS(=O)(=O)CC2)nc1,SOJJWVUMCGMKGT-UHFFFAOYSA-N
-rxn:2:125722:71364,CCc1ccc(N2CCC(OC)CC2)c(NC(CC)CN2CCN(c3ncccn3)CC2)c1,OWRKABADCQHCRN-UHFFFAOYSA-N
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-rxn:2:126810:136378,CC(c1ccc(CNC2CCN(CCOS(C)(=O)=O)CC2)cc1)C1CC1,ASRMGYOFBWNZQB-UHFFFAOYSA-N
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-rxn:2:132206:109800,CCC(C(Nc1cccnc1OC1CCN(C)CC1)c1ccccc1)N1CCCOCC1,INFUDQPYOHXMGY-UHFFFAOYSA-N
-rxn:2:132597:141711,CCC(Nc1ccc(N2CCOCC2)cc1OC)c1cnc(N2CCN(CC)CC2)c(C)c1,PAJYYYRUVWOQCG-UHFFFAOYSA-N
-rxn:2:133548:112455,CCCC(NCc1ccc(S(C)(=O)=O)cc1)C1CCCN1C1CCCCC1,PLCFXZGYRQLQER-UHFFFAOYSA-N
-rxn:2:134425:171347,CCN1CCC(N(C)C2(CNC(C)c3sccc3-c3cc4ccccc4nc3OC)CCCC2)CC1,HCRQCBQDKAXHSC-UHFFFAOYSA-N
-rxn:2:135238:154947,CC(C)c1nc(C(NC(CN2CCC(N(C)C)CC2)c2c[nH]c3ccccc23)C2CC2)n(C)n1,KZJFRXBGFYZLQX-UHFFFAOYSA-N
-rxn:2:135309:163067,CC(C)C(NCC(C)(C1CC1)N1CCC(N(C)C)CC1)c1ccc(-c2nc3ccsc3c(=O)[nH]2)cc1,HSZXYJDALUYGQM-UHFFFAOYSA-N
-rxn:2:137385:136378,CC(NC1CCN(CCOS(C)(=O)=O)CC1)C(c1ccncc1)N(C)C1CCOCC1,BCKANAGSCHAOBY-UHFFFAOYSA-N
-rxn:2:138182:158106,CCCCCC(Nc1nc(CN2CCC(N(C)C)CC2)cs1)c1cn(C)c(=O)n(C)c1=O,LEMJLBFPGGLYOV-UHFFFAOYSA-N
-rxn:2:138545:149130,CCc1nc2cc(C(CCN3CCCCC3)Nc3ccc(OC4CCN(C)CC4)cn3)ccc2[nH]1,CIGZWBJFZHISEG-UHFFFAOYSA-N
-rxn:2:138759:122881,CCN1CCC(COc2ncc(NC(C)c3ccccc3OCC3CCCN(C)C3)cn2)CC1,YLGOSIUNLVYYDC-UHFFFAOYSA-N
-rxn:2:138759:130197,CCC(Nc1cnc(OCC2CCN(CC)CC2)nc1)c1ccc(N2CCN(C)CC2)nc1C,OYJBAVIYZIVKJQ-UHFFFAOYSA-N
-rxn:2:138759:71429,CCN1CCC(COc2ncc(NC(c3ccc4c(c3)OCO4)C(C)CN3CCCC3)cn2)CC1,XJKYGKYJBUQAEU-UHFFFAOYSA-N
-rxn:2:138984:140202,CC(NC1CCC(N(C)C2CCC2)CC1)c1ccc(OS(C)(=O)=O)cc1,FRMPDCFIXIQMSA-UHFFFAOYSA-N
-rxn:2:139138:140895,CC(CNC1CC2CCC1(CS(=O)(=O)[O-])C2(C)C)(c1cccs1)N1CCCCC1,QBIVFBBYFYQJFL-UHFFFAOYSA-M
-rxn:2:139138:141080,CC(NC1CC2CCC1(CS(=O)(=O)[O-])C2(C)C)C(c1cccs1)N1CCCOCC1,QDQOJOCFUDRRQZ-UHFFFAOYSA-M
-rxn:2:139907:145974,CCOC1CCN(CC(C)(C)NC(COc2ccc3c(c2)OCO3)c2c[nH]c3ccccc23)CC1,DELDFKWYEZXLPX-UHFFFAOYSA-N
-rxn:2:140201:165358,CC(NCC(c1cccnc1)N1CCN(C2CC2)CC1)SCC#Cc1ccc2c(c1)C(=O)CC2,OVSNKAGPCNVTFH-UHFFFAOYSA-N
-rxn:2:140340:159432,COc1cccc(OC(C)Nc2c(C(C)C)cnn2C(C)C2CC2(F)F)c1C(=O)C1(C)CC1,FHZHVMQQLNVIDC-UHFFFAOYSA-N
-rxn:2:140794:167745,CCS(=O)(=O)CC1(CNC(c2ccc(S(C)(=O)=O)cc2)C23CC(C2)C3)CC1,BCGFHDLILZZEMS-UHFFFAOYSA-N
-rxn:2:141808:164697,CCCC1CCC(NC(C)c2ccc(C(F)(F)C(=N)Sc3nnc[nH]3)cc2)(c2ccccc2OC)CC1,IOSRNZKOJZTKNI-UHFFFAOYSA-N
-rxn:2:146900:140201,CC(NCC(c1cccnc1)N1CCN(C2CC2)CC1)SCC#Cc1ccc2c(c1)C(=O)CCC2,WLCTVTKCLHBJQR-UHFFFAOYSA-N
-rxn:2:147968:149840,CCCCC(/N=c1\ncc2c([nH]1)CC(C)(C)CC2=O)Nc1cccc(-c2cn(CC3(F)CCC3)nn2)c1,UKQKXRDQNXNYBR-UHFFFAOYSA-N
-rxn:2:147968:163481,CCCCC(/N=c1\ncc2c([nH]1)CC(C)(C)CC2=O)Nc1ccc(-c2cn(CC3(F)CCC3)nn2)cc1,WFAFQKIAPSTDBG-UHFFFAOYSA-N
-rxn:2:151044:106835,CCC(C)CN(C)c1ccc(NC(c2ccc(OC)cc2)C(C)(C)N2CCOCC2)c2ncccc12,YRSHLOPRURDMIF-UHFFFAOYSA-N
-rxn:2:156863:122881,CC(NC(C)(C)C(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)c1ccccc1OCC1CCCN(C)C1,ZPRUPYYRYJYVHB-UHFFFAOYSA-N
-rxn:2:162900:130197,CCC(NCc1cn2cc(N3CCN(C)CC3)ccc2n1)c1ccc(N2CCN(C)CC2)nc1C,DQLAKBOCHBYFGP-UHFFFAOYSA-N
-rxn:2:165048:166292,CN(C)C(c1ccc2ncoc2c1)C1(CNC(Oc2ccc3c(c2)C(=O)CCCC3)C(C)(C)C)CC1,TZVOTVZIHUMCSQ-UHFFFAOYSA-N
-rxn:2:165554:109800,CCC(C(Nc1cnc2c(c1)oc(=O)n2C1CCN(C)CC1)c1ccccc1)N1CCCOCC1,LHMZRAUVAFCKKW-UHFFFAOYSA-N
-rxn:2:166055:103186,CCC(C(NC1CC(c2cc3ncccc3n2C)CN(C)C1)c1ccccc1)N1CCOCC1C,GNRHWUXBDJAXNZ-UHFFFAOYSA-N
-rxn:2:66082:111916,CN1CCC(CNC2CC3CCC(C2)S3(=O)=O)(Cc2ccc3c(c2)OCO3)C1,OWSWWADIBIJXOJ-UHFFFAOYSA-N
-rxn:2:66824:87087,CCC(Nc1n[nH]c2cc(OCCN(C)C)ccc12)c1cnc(N2CCN(C(C)C)CC2)cc1C,AKVLLHILNVWSHM-UHFFFAOYSA-N
-rxn:2:67141:74203,CC(CCN(C)c1ccc(S(C)(=O)=O)cc1)NCC12C3C4C5C3C1C5C42,XUKKOHMZSFQKQJ-UHFFFAOYSA-N
-rxn:2:67873:152258,CCc1ccc(OC)c(C2(CNC(CC)c3cccc(-c4cnc(N5CCOCC5)nc4)c3)CCN(C)C2)c1,AUIDETMFKUGMIC-UHFFFAOYSA-N
-rxn:2:68880:86439,CS(=O)(=O)C1(c2cccc(CNC3CC4CCC(C3)N4C3CC3)c2)CC1,AKXWYULKXSDMRB-UHFFFAOYSA-N
-rxn:2:69035:134221,CCC(Nc1ccc(N2CCC(N(C)C)CC2)cc1OC)c1cnc(N2CCN(C)CC2)cc1C,FIMTVSDORFATKQ-UHFFFAOYSA-N
-rxn:2:69035:152258,CCC(Nc1ccc(N2CCC(N(C)C)CC2)cc1OC)c1cccc(-c2cnc(N3CCOCC3)nc2)c1,HOUVOKQXTKOLRH-UHFFFAOYSA-N
-rxn:2:69035:160706,COc1cc(N2CCC(N(C)C)CC2)ccc1NC(CCN1CCOCC1)c1ccc2[nH]c(C)nc2c1,OFMJAILXAGPFCS-UHFFFAOYSA-N
-rxn:2:69035:165677,CCCC(Nc1ccc(N2CCC(N(C)C)CC2)cc1OC)c1ccc(-c2cnc3c(c2)CCN3C)cc1,PTBWCWPXSQCGPX-UHFFFAOYSA-N
-rxn:2:69035:90528,CCC(Nc1ccc(N2CCC(N(C)C)CC2)cc1OC)c1cnc(N2CCOCC2)cc1C,YUSUAGCYKGKQMJ-UHFFFAOYSA-N
-rxn:2:69057:127693,CCN1CCC(N(C)c2c[nH]nc2NC(C)c2c(C(C)C)cc(C(C)C)[nH]c2=O)CC1,SFPAVBSVMTUCRS-UHFFFAOYSA-N
-rxn:2:69927:111410,CN1CCC2(C1)Oc1ccccc1C2CNCCS(=O)(=O)CC1CCC1,FLYWQAFWDKQAGP-UHFFFAOYSA-N
-rxn:2:69927:120507,CN1CCC2(C1)Oc1ccccc1C2CNCC#CCS(=O)(=O)C1CC1,GDXGIFQIZWOZNH-UHFFFAOYSA-N
-rxn:2:69927:124022,CN1CCC2(C1)Oc1ccccc1C2CNCC1(CCS(C)(=O)=O)CCC1,KTZGTNXZZALKNK-UHFFFAOYSA-N
-rxn:2:69927:129631,CN1CCC2(C1)Oc1ccccc1C2CNC1(CCS(C)(=O)=O)CCCC1,HNGJXLZTUSJMCN-UHFFFAOYSA-N
-rxn:2:69927:139310,CN1CCC2(C1)Oc1ccccc1C2CNCC1CC(OS(C)(=O)=O)C1,ZIEBSPNAJWCXLR-UHFFFAOYSA-N
-rxn:2:70006:151596,CC(CCCCn1c(=O)c2ncn(C)c2n(C)c1=O)NCc1cn[nH]c1C1CCC(F)(F)CC1,NERWJFKQSFIRQJ-UHFFFAOYSA-N
-rxn:2:70172:112627,CCC(NC1(c2ncc[nH]2)CC(C)(C)CC1C)c1cccc(C#CCCSC(C)=O)c1,IVJKQMQOTCIJRD-UHFFFAOYSA-N
-rxn:2:70172:149239,CC(=O)c1ccc(C2C(CSC(C)NC3(c4ncc[nH]4)CC(C)(C)CC3C)C2(F)F)c(C)c1,FGJKDDLXRHLVQR-UHFFFAOYSA-N
-rxn:2:70230:151596,COCC1CC(F)(F)CN1c1ncccc1NC(C)CCCCn1c(=O)c2ncn(C)c2n(C)c1=O,GQJJDQYWEYGWAD-UHFFFAOYSA-N
-rxn:2:70251:152541,CC(CC(C)(C)n1[se]c2cccnc2c1=O)NCCCN1CCC(N(C)C)CC1,MQIMMPFJRKPBTN-UHFFFAOYSA-N
-rxn:2:70525:74747,CC(C)[C@@H](C#CC1CC1)NC1C[C@H]2CC[C@]1(CS(=O)(=O)[O-])C2(C)C,GVGJFKYEMLDBBQ-XACFYFHVSA-M
-rxn:2:70685:137310,CC(C)C(C)(CC1C2CC3CC(C2)CC1C3)NC1CC(S(=O)(=O)F)C1,MRTPFEHDJAZXIZ-UHFFFAOYSA-N
-rxn:2:70694:117066,CC(NCC(C1CCOCC1)N1CCN(C)CC1)c1ccc(OS(=O)(=O)[O-])cc1,FJSRJTXBICAESH-UHFFFAOYSA-M
-rxn:2:70961:104695,CCC(COS(C)(=O)=O)N[C@@H](C)C12C3C4C5C3C1C5C42,NICICUPZALVLDT-CXEOVUSZSA-N
-rxn:2:71030:74747,CCCCc1ccc2c(c1)C(NC1C[C@H]3CC[C@]1(CS(=O)(=O)[O-])C3(C)C)COCC2,GAIWVPDMLHCADP-VCSHYFGYSA-M
-rxn:2:71443:148378,CCCC(NCC1(C2c3ccc(OC)cc3CCN2C)CC1)c1ccc(-c2cnn(C3CCOCC3)c2)cc1,KFUNSIMXEUTUJE-UHFFFAOYSA-N
-rxn:2:71988:101466,CC(CC(c1ccccn1)N1CCOCC1)Nc1cccnc1OCC1CCN(C)CC1,OWDKOFUVCJVGKL-UHFFFAOYSA-N
-rxn:2:72937:74747,Cc1cc(CNC2C[C@H]3CC[C@]2(CS(=O)(=O)[O-])C3(C)C)ccc1S(C)(=O)=O,MVXJZLNISAGVPY-WUKPUPCQSA-M
-rxn:2:73124:74525,CC(=O)c1cncc(C#CCCSC(C)NC2(c3ncc[nH]3)C(C)(C)CCC2(C)C)c1,GKZIOKDYMJKDGA-UHFFFAOYSA-N
-rxn:2:73779:149518,CC(NCC1(N2CCC(N(C)C)CC2)CCN(C)C1)c1ccc(N2CCS(=O)(=O)CC2)cc1,MWDWVYJKGORIBB-UHFFFAOYSA-N
-rxn:2:73779:166788,CC(NCC1(N2CCC(N(C)C)CC2)CCN(C)C1)c1ccccc1-c1ccc2oc(=O)[nH]c2c1,KFBGENYDMYNNSA-UHFFFAOYSA-N
-rxn:2:74072:147968,CCCCC(/N=c1\ncc2c([nH]1)CC(C)(C)CC2=O)NCc1cccnc1OC(C)C1CCN(C)CC1,ZDSJTGNYEJSLPS-UHFFFAOYSA-N
-rxn:2:74525:142451,CC(=O)c1cncc(C2C(CCSC(C)NC3(c4ncc[nH]4)C(C)(C)CCC3(C)C)C2(F)F)c1,KTVBRBIZGBYZHD-UHFFFAOYSA-N
-rxn:2:74525:144237,CC(=O)c1cncc(C2C(CSC(C)NC3(c4ncc[nH]4)C(C)(C)CCC3(C)C)C2(F)F)c1,ZCTPYGGLGYNUEJ-UHFFFAOYSA-N
-rxn:2:74525:84519,CC(=O)c1ccc(C#CCCSC(C)NC2(c3ncc[nH]3)C(C)(C)CCC2(C)C)s1,VZDXJIDWIXDPFN-UHFFFAOYSA-N
-rxn:2:74747:105479,CC(CNC1C[C@H]2CC[C@]1(CS(=O)(=O)[O-])C2(C)C)(c1cccs1)N1CCOCC1,KZAIBMWJDKDWRU-KQRDDFEUSA-M
-rxn:2:74888:143222,CCCC(NCC(C1CCOC1)N1CCC(N(C)C)CC1)c1ccc(-c2nc3ccsc3c(=O)[nH]2)cc1,NZEBWHKJCGAOQQ-UHFFFAOYSA-N
-rxn:2:74888:143818,CC(CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)NCC(C1CCOC1)N1CCC(N(C)C)CC1,PUMMISJVUBLBNS-UHFFFAOYSA-N
-rxn:2:74888:144353,CC(NCC(C1CCOC1)N1CCC(N(C)C)CC1)c1ccccc1-c1n[nH]c(=O)c2ncccc12,FZHQKBSWCRGBCT-UHFFFAOYSA-N
-rxn:2:74888:145160,Cc1cc2c(cc1-c1ccc3[nH]c(=O)[nH]c3c1)C(NCC(C1CCOC1)N1CCC(N(C)C)CC1)CC2,MPYUOLGHZCGFEE-UHFFFAOYSA-N
-rxn:2:74888:157029,COc1ccc2[nH]cc(C(NCC(C3CCOC3)N3CCC(N(C)C)CC3)c3ccc4c(c3)OCO4)c2c1,CXQOPAPIPAQXBC-UHFFFAOYSA-N
-rxn:2:74888:157747,CC(NCC(C1CCOC1)N1CCC(N(C)C)CC1)c1ccccc1-c1n[nH]c(=O)c2ccccc12,MAHQMTNYTCHYJG-UHFFFAOYSA-N
-rxn:2:74888:161441,Cc1c(C(C)NCC(C2CCOC2)N2CCC(N(C)C)CC2)cc(-c2ccc3[nH]c(=O)[nH]c3c2)n1C,XFTNSFHZTHEAED-UHFFFAOYSA-N
-rxn:2:74888:164321,CC(C)C(NCC(C1CCOC1)N1CCC(N(C)C)CC1)c1ccc(-c2ccc3[nH][nH]c(=O)c3c2)cc1,BFWNHCIVFNZASI-UHFFFAOYSA-N
-rxn:2:75003:163067,CC(C)C(CN(C)C1CCN(C)CC1)NC(c1ccc(-c2nc3ccsc3c(=O)[nH]2)cc1)C(C)C,CCINVBJUENOZML-UHFFFAOYSA-N
-rxn:2:75003:164912,CC(C)C(CN(C)C1CCN(C)CC1)NC(c1ccc(-c2cc3c(=O)nc[nH]c3s2)cc1)C(C)C,VVNZCYSSWWFNMN-UHFFFAOYSA-N
-rxn:2:75075:94336,CCCOc1c(NCC(OC)C2CCC(F)(F)CC2)cnn1C(C)C,NSCTVWRDMFRUFG-UHFFFAOYSA-N
-rxn:2:75873:132787,CCOc1ccc(C(C)NC(c2cccnc2)C2CCN(C)CC2)cc1OC1CCN(C)CC1,TWHKWMQMQXIFFG-UHFFFAOYSA-N
-rxn:2:76106:149479,Cc1ccc2c(c1)C(Nc1ccc(N=S3(=O)CCCC3)cc1)CC1(CCS(=O)(=O)CC1)O2,WPZRTHFGIOCZLW-UHFFFAOYSA-N
-rxn:2:76442:121457,CCN1CCC(N(C)CCC(C)Nc2ccc(OCC(C)C)nc2)CC1,LFLBKMGYOPNSCK-UHFFFAOYSA-N
-rxn:2:76442:81367,CCN1CCC(N(C)CCC(C)Nc2ccncc2OCC(C)C)CC1,FOKPMVPGBVHPIP-UHFFFAOYSA-N
-rxn:2:76532:143248,CCC(C)n1c(C(C)NCCCN2CCC3(CC2)CC(OC)CCO3)nc2ccccc21,HADDYBFLEHMZBT-UHFFFAOYSA-N
-rxn:2:76532:148405,COC1CCOC2(CCN(CCCNC(C)c3sc(-c4cnc5ccccc5c4)nc3C)CC2)C1,UMLNQQVLFUTKIZ-UHFFFAOYSA-N
-rxn:2:76532:169845,CCCC(NCCCN1CCC2(CC1)CC(OC)CCO2)c1ccc(-c2ncc3ccccc3n2)cc1,DLOBMSWEKOIVAK-UHFFFAOYSA-N
-rxn:2:76532:170640,COC1CCOC2(CCN(CCCNC(c3ccc(-c4ncc5ccccc5n4)cc3)C(C)C)CC2)C1,ABXMVPBDGKJLNA-UHFFFAOYSA-N
-rxn:2:76650:167745,COCC1(CNC(c2ccc(S(C)(=O)=O)cc2)C23CC(C2)C3)CS(=O)(=O)C1,FRCWNRBPORORGT-UHFFFAOYSA-N
-rxn:2:76854:169090,Cc1cc(C(C)(C)C)cc(C)c1C(NC1CCCCCCCCCCC1)c1ccccc1,QZWDBJKPWCSBFH-UHFFFAOYSA-N
-rxn:2:77349:107703,COc1ccc(C(CS(C)(=O)=O)NOC[C@@H]2[C@@H]3CCC#CCC[C@@H]32)cc1,PETUWBFKVQKMFH-RKZNWXTNSA-N
-rxn:2:77349:78589,CC(C)C(CCS(=O)(=O)F)NOC[C@@H]1[C@@H]2CCC#CCC[C@@H]21,SLSNAMSFRRHTCL-WHEYWXMQSA-N
-rxn:2:77594:136378,CC(NC1CCN(CCOS(C)(=O)=O)CC1)c1cccc(C23CCN(C)CC2C3)c1,WLBAVXDFHLJMGS-UHFFFAOYSA-N
-rxn:2:77718:141891,COc1cccc(C(NC(c2ccc(C)c(C(C)(C)C)c2)C2CCCCC2)C2CCCCC2)c1,NXZHXLGGXULVHG-UHFFFAOYSA-N
-rxn:2:78632:147968,CCCCC(/N=c1\ncc2c([nH]1)CC(C)(C)CC2=O)Nc1ncccc1OCC1CC(F)(F)C1,ODPRUTKNDHZPLI-UHFFFAOYSA-N
-rxn:2:79124:141610,CC(NCC1(S(=O)(=O)C2CCCC2)COC1)c1ccc(S(=O)(=O)[O-])cc1,JFHGSAJLJZBCQD-UHFFFAOYSA-M
-rxn:2:79246:129883,CCCn1ccnc(N2CCC(NCC(C)(C)C(C(C)C)N(C)C)CC2)c1=O,IEGFSPIOVDGXAX-UHFFFAOYSA-N
-rxn:2:79484:147968,CCCCC(/N=c1\ncc2c([nH]1)CC(C)(C)CC2=O)NCCCn1cnnc1C1CCC(F)(F)CC1,MYWFVRRTOMDPRJ-UHFFFAOYSA-N
-rxn:2:79484:168490,CCn1ncc(-c2cc(C)ccc2OC)c(C(C)NCCCn2cnnc2C2CCC(F)(F)CC2)c1=O,RGPFMEIDFRLTCZ-UHFFFAOYSA-N
-rxn:2:79591:125295,CCC(CN(C)C12CC3CC(CC(C3)C1)C2)NC1CC(CS(=O)(=O)F)C1,XJEFREYOPLSEFJ-UHFFFAOYSA-N
-rxn:2:79732:171702,CCCN1CCCCC1c1ccc(NC(C)c2ccnc(-c3ccc(OC4CCCCC4)cc3)c2)nc1C,HXAZLYXFBCYNPK-UHFFFAOYSA-N
-rxn:2:79800:125998,Cc1ccccc1C1(N2CCC(NCCS(=O)(=O)N=S(C)(C)=O)CC2)CC1,ADVJIWABWFNXLA-UHFFFAOYSA-N
-rxn:2:79917:81807,CC(=O)c1cn(C2CCC2SC(C)NCC(F)(F)CN2CCSC(C)(C)C2)nn1,HLYPWBZIISRMOB-UHFFFAOYSA-N
-rxn:2:79960:108479,CC(C)COCC(NCc1nccc(N2CCC(N(C)C)CC2)n1)c1ccc2c(c1)CCC2,NUBVGAWLRVVKMO-UHFFFAOYSA-N
-rxn:2:80854:125295,CC(CNC1CC(CS(=O)(=O)F)C1)N(C)C1C2CC3CC(C2)CC1C3,NTQFYMOGXZXYFS-UHFFFAOYSA-N
-rxn:2:81079:117066,CC(NCC1CN(C)CC1C1CCOC1)c1ccc(OS(=O)(=O)[O-])cc1,RZCSDEKBXCVKRR-UHFFFAOYSA-M
-rxn:2:81079:140202,CC(NCC1CN(C)CC1C1CCOC1)c1ccc(OS(C)(=O)=O)cc1,VANHLYXJOOLRRR-UHFFFAOYSA-N
-rxn:2:81526:163870,COc1ccc2c(CC(NCC(C)(C)C3(C4CCN(C)CC4)COC3)c3ccccn3)ccnc2c1,FYQVBDOYLXLLCW-UHFFFAOYSA-N
-rxn:2:81735:142933,CCCC(NC1CC(C(C2CCN(C)C2)N(C)C)C1)c1ccc(-c2ccnc(N3CCCC3)n2)cc1,MCDFECMTLKRHKW-UHFFFAOYSA-N
-rxn:2:81735:158674,CCC(NC1CC(C(C2CCN(C)C2)N(C)C)C1)c1ccc(-c2ccn(C3COC3)n2)cc1,HVLQLRAEAXGDDU-UHFFFAOYSA-N
-rxn:2:81735:165331,CCC(NC1CC(C(C2CCN(C)C2)N(C)C)C1)c1cccc(-c2ccnc(N3CCOCC3)c2)c1,GDBVAANKWZOEMU-UHFFFAOYSA-N
-rxn:2:81735:170117,CCC(NC1CC(C(C2CCN(C)C2)N(C)C)C1)c1ccc(-c2ccc3cn(C)nc3c2)cc1C,MESPNQPWWMKYFB-UHFFFAOYSA-N
-rxn:2:81735:171700,CCCC(NC1CC(C(C2CCN(C)C2)N(C)C)C1)c1ccc(-c2ccc3ccc(=O)[nH]c3c2)cc1,RPGOYPLDUMATLK-UHFFFAOYSA-N
-rxn:2:82219:142505,CC(=O)c1ccc(C2C(CCSC(C)NC3(c4ncn[nH]4)CCC(C)(C)CC3)C2(F)F)nc1,RQMUNFWDMFSHQT-UHFFFAOYSA-N
-rxn:2:82219:156343,CC(=O)c1ccc(C2C(CCSC(C)NC3(c4ncn[nH]4)CCC(C)(C)CC3)C2(F)F)cn1,JNZIWJRTPVFHKY-UHFFFAOYSA-N
-rxn:2:82548:139138,CN1CCC(c2cccc(C3(CNC4CC5CCC4(CS(=O)(=O)[O-])C5(C)C)COC3)c2)C1,HNQKCSOVHXNIEX-UHFFFAOYSA-M
-rxn:2:82825:125295,CC12CCC(C1)C(C)(C)C2NC1CC(CS(=O)(=O)F)C1,WOOFWUPPEPKPRD-UHFFFAOYSA-N
-rxn:2:83683:99521,CCCC(C(NCC12CC(S(C)(=O)=O)(CO1)C2)c1cccs1)N1CCCC1,WJIXNRZXZOTYMU-UHFFFAOYSA-N
-rxn:2:83784:139138,CC1(C)C2CCC1(CS(=O)(=O)[O-])C(NC1(Cc3ccsc3)COC1)C2,DXGZTCNOXPQDFQ-UHFFFAOYSA-M
-rxn:2:83925:134221,CCC(NCc1ccc(N2CCC(N(C)C)CC2)nc1)c1cnc(N2CCN(C)CC2)cc1C,PDIUHGTYAQBDDR-UHFFFAOYSA-N
-rxn:2:84015:101533,CC(CNC1CC2CC[C@@]1(CS(=O)(=O)[O-])C2(C)C)(c1cccs1)N1CCCC1,ZPGLDAGSVMEOIP-XTDSXPLLSA-M
-rxn:2:84015:140895,CC(CNC1CC2CC[C@@]1(CS(=O)(=O)[O-])C2(C)C)(c1cccs1)N1CCCCC1,QBIVFBBYFYQJFL-RJSBPICXSA-M
-rxn:2:84015:141080,CC(NC1CC2CC[C@@]1(CS(=O)(=O)[O-])C2(C)C)C(c1cccs1)N1CCCOCC1,QDQOJOCFUDRRQZ-OJEVOOGDSA-M
-rxn:2:84015:83784,CC1(C)C2CC[C@]1(CS(=O)(=O)[O-])C(NC1(Cc3ccsc3)COC1)C2,DXGZTCNOXPQDFQ-JMLCCBQJSA-M
-rxn:2:84224:149479,Cc1ccc2c(c1)C(Nc1cccc(CN=S3(=O)CCCC3)c1)CC1(CCS(=O)(=O)CC1)O2,REZZEYAFHBYMKJ-UHFFFAOYSA-N
-rxn:2:84258:145659,COc1ccc(C(C)NCC(C)(C)c2nc(C(C)C)cs2)cc1C#CCCSC(C)=O,UKKSDEZCTRGGQG-UHFFFAOYSA-N
-rxn:2:84396:143818,CC(CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)NCC(c1ccc(N(C)C)cc1)N1CCOCC1,VONOIARYEPCJKI-UHFFFAOYSA-N
-rxn:2:84703:163067,CCC(C)(CNC(c1ccc(-c2nc3ccsc3c(=O)[nH]2)cc1)C(C)C)N(C)C1CCCCC1C,VZEWJZCUMNVMIN-UHFFFAOYSA-N
-rxn:2:85065:115972,CCN(C(C)C)C1(CNC2C[C@H]3CC[C@@]2(CS(=O)(=O)F)C3(C)C)CCSCC1,MUTSVDILFVRZRY-WFYHXULLSA-N
-rxn:2:85147:144920,CC(CCN(C)C1CCN(C)C1)NC(C)c1c(-c2cccc(OC(C)C)c2)cn[nH]c1=O,NEBWFWJTODQNER-UHFFFAOYSA-N
-rxn:2:85357:74747,Cc1ccc(CN2CCOCC2CNC2C[C@H]3CC[C@]2(CS(=O)(=O)[O-])C3(C)C)cc1,BKIOMPYVQILUOZ-ZDTVFLJBSA-M
-rxn:2:85786:155159,CS(=O)(=O)c1ccc(C(CC2=NCCO2)NCC23C4C5C2C2C3C4C52F)cc1,CGGHWKBDVQBKNV-UHFFFAOYSA-N
-rxn:2:85786:160422,CS(=O)(=O)c1ccc(N2CCC(NCC34C5C6C3C3C4C5C63F)CC2)cc1,NOOGRPDPNSXKJC-UHFFFAOYSA-N
-rxn:2:85786:166005,CS(=O)(=O)c1cccc(N2CCC(NCC34C5C6C3C3C4C5C63F)CC2)c1,CHMGMKKOYJGJQF-UHFFFAOYSA-N
-rxn:2:85965:94524,CCCCN(C)c1cc(N2CCC(Nc3ccc(N4CCC(F)(F)C4)c(OC)c3)CC2)ncn1,OPSTUXOBNDVVAQ-UHFFFAOYSA-N
-rxn:2:86004:159432,CCc1cnn(C(C)C2CC2(F)F)c1NC(C)Oc1cccc(OC)c1C(=O)C1(C)CC1,DKLBVJPIWUANRT-UHFFFAOYSA-N
-rxn:2:86439:114046,CS(=O)(=O)c1cccc(C2(CNC3CC4CCC(C3)N4C3CC3)CCC2)c1,LFDZCLWNSXMSEN-UHFFFAOYSA-N
-rxn:2:86439:81447,CS(=O)(=O)c1cccc(C2(CNC3CC4CCC(C3)N4C3CC3)CC2)c1,CANHPBOMTSAZJB-UHFFFAOYSA-N
-rxn:2:86816:147968,CCCCC(/N=c1\ncc2c([nH]1)CC(C)(C)CC2=O)NCC1(Cc2ccncc2)CCC(F)(F)CC1,CVRFPJGOGLGRBL-UHFFFAOYSA-N
-rxn:2:86961:145364,CCOc1cc(C2CCN(C)CC2)ccc1NC(CN1CCCCC1)c1ccc2[nH]c(C3CC3)nc2c1,VNUNZCAYJJTHGI-UHFFFAOYSA-N
-rxn:2:87017:110753,CCC(Nc1ccc(OC)c(OC2CCCC2)c1)C1CCN(c2ccc3c(c2)OCO3)C1,MBWKARZLGOCBCJ-UHFFFAOYSA-N
-rxn:2:87109:132463,CN(Cc1ccoc1)C1(CNC2CCOC3(CCS(=O)(=O)CC3)C2)CN2CCC1CC2,WYMPSYFDQXKCLS-UHFFFAOYSA-N
-rxn:2:87172:144363,CN1CCC(N(C)CC(NC(c2ccc3[nH]c(=O)[nH]c3c2)C2CCCCO2)c2cccn2C)CC1,XDIBMIMQYGKRDO-UHFFFAOYSA-N
-rxn:2:87172:147006,CN1CCC(N(C)CC(NCC2C(c3n[nH]c4nc[nH]c(=O)c34)C2(F)F)c2cccn2C)CC1,MACFZZOAZOMYMS-UHFFFAOYSA-N
-rxn:2:87172:81873,CN1CCC(N(C)CC(NCC2(S(=O)(=O)C3CC3)CC2)c2cccn2C)CC1,AGGSJJDPRRBWAA-UHFFFAOYSA-N
-rxn:2:87437:143818,CC(CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)Nc1ccc2c(c1)CCN(C1CCOCC1)CC2,LWYVFCCROPYEOL-UHFFFAOYSA-N
-rxn:2:88336:171310,CCC(C)c1ccc(-c2cc3c(cc2OC)C(Nc2ccc4c(n2)N(C2CCN(C)CC2)CCO4)CC3)cc1,NVCNLLQZPHPIPK-UHFFFAOYSA-N
-rxn:2:88564:105479,CC(CNC1C2(C)CCC3C2(C)COC31S(=O)(=O)[O-])(c1cccs1)N1CCOCC1,PBGSZWWWVAZLIY-UHFFFAOYSA-M
-rxn:2:89069:125295,CC(CNC1CC(CS(=O)(=O)F)C1)N(C)CC1C2CC3CC(C2)CC1C3,JWELVDMYSJHEME-UHFFFAOYSA-N
-rxn:2:89200:114498,CCC(CN1CCC(N(C)C)CC1)Nc1cnccc1OCCC(C)C,JIGIMMSKBCQJAE-UHFFFAOYSA-N
-rxn:2:89449:144920,CC(CN(C)C1CCN(C)CC1)NC(C)c1c(-c2cccc(OC(C)C)c2)cn[nH]c1=O,MJHMHQJYTIJZRU-UHFFFAOYSA-N
-rxn:2:89462:119888,CCC(C(NCC1(S(=O)(=O)CC)CCC1)c1cccs1)N1CCCC1,LTSDLDYMHBQSFD-UHFFFAOYSA-N
-rxn:2:89533:106196,CC(Nc1ccc(N2CCC(N(C)C)CC2)cc1)c1cnccc1OCCN1CCOCC1,GOBAHMKWOAMEGD-UHFFFAOYSA-N
-rxn:2:89533:116958,CCn1cc(C(CN2CCOCC2)Nc2ccc(N3CCC(N(C)C)CC3)cc2)cn1,ZXPOCJAFSOASDQ-UHFFFAOYSA-N
-rxn:2:89533:134221,CCC(Nc1ccc(N2CCC(N(C)C)CC2)cc1)c1cnc(N2CCN(C)CC2)cc1C,WIQSTYDJLMABDF-UHFFFAOYSA-N
-rxn:2:89533:70228,CCc1nc(N2CCN(CC)CC2)sc1C(C)Nc1ccc(N2CCC(N(C)C)CC2)cc1,OWBJEZOGFPXGNG-UHFFFAOYSA-N
-rxn:2:89533:73038,CCC(Nc1ccc(N2CCC(N(C)C)CC2)cc1)c1cnc(N2CCN(CC)CC2)cc1C,XJQCNXAEDCUMTG-UHFFFAOYSA-N
-rxn:2:89551:155396,CC(=O)c1ccc(C2C(CSC(C)NC3(c4ncnn4C)CCC(C)(C)CC3)C2(F)F)nc1,JWXJXTBVQWRMDY-UHFFFAOYSA-N
-rxn:2:89982:128645,CCC(NCc1cccc(CS(=O)(=O)C(C)C)c1)C1CCN(C2CCC2)C1,UBLQXOQOMHXBNM-UHFFFAOYSA-N
-rxn:2:90902:130528,CC(NCc1ccnc(N2CCS(=O)(=O)CC2)c1)c1sc(N2CCCC2)nc1C1CC1,VDFMJBWYDINLTD-UHFFFAOYSA-N
-rxn:2:90902:83614,Cc1ccc(C(CCN2CCCCCC2)NCc2ccnc(N3CCS(=O)(=O)CC3)c2)cc1,AVFCRFWPSWWRQM-UHFFFAOYSA-N
-rxn:2:91416:107255,CC1(C)C2CCC1(CS(=O)(=O)F)C(NC1C(=O)SC13CCCC3)C2,ZFAANLAFLBYLAE-UHFFFAOYSA-N
-rxn:2:91416:114717,CC1(C)C2CCC1(CS(=O)(=O)F)C(NC1C(=O)SC13CCC3)C2,SHSRRSWEEAALPU-UHFFFAOYSA-N
-rxn:2:92363:154947,COc1ccc(NC(CN2CCC(N(C)C)CC2)c2c[nH]c3ccccc23)c(N2CCOCC2)c1,LRKMTMSLKKQHQW-UHFFFAOYSA-N
-rxn:2:92407:74747,COc1ccc(C2(CNC3C[C@H]4CC[C@]3(CS(=O)(=O)[O-])C4(C)C)CCC(C)C2)cc1,AWGUDNWRQDYYIZ-PPPRCNHCSA-M
-rxn:2:92810:169562,CC(NC(CN1CCOCC1)C(C)(C)C)c1ccc(Oc2cccc3c2CCCC3)cc1,OPVFGTIRKIBWHI-UHFFFAOYSA-N
-rxn:2:93150:141891,Cc1ccc(C(Nc2cccc(OCC3CCCC3)c2)C2CCCCC2)cc1C(C)(C)C,DSDDMAOWIILWQE-UHFFFAOYSA-N
-rxn:2:93686:71219,CC(C)OCCC(Nc1cnccc1N1CCC(N(C)C)CC1)C1CC1,GIRWQTJHNUWSTG-UHFFFAOYSA-N
-rxn:2:93924:81627,CCC(C(Nc1ccc(O[C@H]2CCOC2)cc1OC)c1ccc(OC)cc1)N1CCCC1,WMTUEVORCLLMOX-AKOCCIFCSA-N
-rxn:2:94580:122881,CC(CCc1nc(C2CCN(C)C2)c[nH]1)NC(C)c1ccccc1OCC1CCCN(C)C1,XUUNEIGZAQSDDD-UHFFFAOYSA-N
-rxn:2:94687:146538,CCC1(C)OC(C)(CC)C1NC(c1ccc(OC)cc1)c1c[nH]c(C(=O)N=CN(C)C)c1,PJNBSOMHJNAZNB-UHFFFAOYSA-N
-rxn:2:95596:147968,CCCCC(/N=c1\ncc2c([nH]1)CC(C)(C)CC2=O)Nc1ccc(OCC2CCC(F)(F)CC2)nc1,LLEMYVMLCKLRNF-UHFFFAOYSA-N
-rxn:2:95733:138182,CC(Nc1nc(CN2CCC(N(C)C)CC2)cs1)c1ccc(OCC2(C)COC2)cc1,AWQLFWAZCVMUQN-UHFFFAOYSA-N
-rxn:2:96603:116990,CCC(NC(C)c1cc(C(C)C)n[nH]c1=O)C(C)N(C)C1CCCN(C)C1,ZOKWVVLQLPXRJA-UHFFFAOYSA-N
-rxn:2:97037:158492,CC1Cc2nc(N3CCOCC3)ncc2C(NCC(C)C(c2ccc3oc(=O)[nH]c3c2)N(C)C)C1,UNJQUYJEPRSQJH-UHFFFAOYSA-N
-rxn:2:97326:144920,COCC1(NC(C)c2c(-c3cccc(OC(C)C)c3)cn[nH]c2=O)CC(C[Si](C)(C)C)C1,MOJRXXZMJKCCSR-UHFFFAOYSA-N
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-rxn:2:102991:147764,CC1CCCC(OCC(NCC(c2ccc3[nH]c(C4CC4)nc3c2)N(C)C)c2cccn2C)C1,HZICMPMOFFYXIO-UHFFFAOYSA-N
-rxn:2:102991:164411,CC1CCCC(OCC(NC2CC(C(c3ccc4[nH]cnc4c3)N(C)C)C2)c2cccn2C)C1,XYOHIYPKTSPDSW-UHFFFAOYSA-N
-rxn:2:103107:143480,CCC(NC1(C(c2ccc3oc(=O)[nH]c3c2)N(C)C)CC1)c1cnc(N2CCN(C)CC2)c(C)c1,JJZIVECNBGVFCX-UHFFFAOYSA-N
-rxn:2:104300:132787,CCOc1ccc(C(C)NC2CCC(c3ncc(-c4ccccn4)[nH]3)CC2)cc1OC1CCN(C)CC1,SLZZBUFAVGGTCQ-UHFFFAOYSA-N
-rxn:2:104797:144920,CC1CCN(CCCC(C)NC(C)c2c(-c3cccc(OC(C)C)c3)cn[nH]c2=O)CC1,BGYNSEDZQIBDQR-UHFFFAOYSA-N
-rxn:2:105019:126559,CC1CCC(NC(C)c2ccc(C(C)C)[nH]c2=O)C(CN(C)C(C)C)C1,NNVMSQMAHMRGPH-UHFFFAOYSA-N
-rxn:2:105030:143818,CCC(NC(C)CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)C(c1ccncc1)N1CCC(C)CC1,MRHJMNNSOCQPFD-UHFFFAOYSA-N
-rxn:2:105079:153182,CCC(Nc1ccc2c(c1)CN(CCCOC)CC21CC1)c1ccc(-c2cnn(C3CCOC3)c2)cc1,RTXXVYXFTWDDII-UHFFFAOYSA-N
-rxn:2:105408:135747,CC(CCCN1CCCCCC1)Nc1ccc(OCC2CC(F)C2)nc1,CCYUKCSAHBYAFM-UHFFFAOYSA-N
-rxn:2:105921:124477,CCCN(C)C1(CNC2CC(CS(=O)(=O)c3ccc(C)cc3)C2)CN2CCC1CC2,ADDMEMXFKLSERY-UHFFFAOYSA-N
-rxn:2:105921:161079,CCCN(C)C1(CNC(C)c2cn(-c3ccc(OC)cc3)c(=O)[nH]c2=O)CN2CCC1CC2,KMWUKXPWMRNARQ-UHFFFAOYSA-N
-rxn:2:106021:154947,CCCC(NC(CN1CCC(N(C)C)CC1)c1c[nH]c2ccccc12)c1nc(C2CC2)nn1C,XAJRHHRKTOSLBI-UHFFFAOYSA-N
-rxn:2:106143:126600,COCCN1CCC(CNC(C)c2ccc(C)cc2OS(=O)(=O)F)CC1,VNGDSRWVSCUUOY-UHFFFAOYSA-N
-rxn:2:106853:130197,CCC(Nc1cccnc1N1CCC(COC)CC1)c1ccc(N2CCN(C)CC2)nc1C,LFYWIMQZJRKPCB-UHFFFAOYSA-N
-rxn:2:106941:170275,CCCCSC(=N)C(F)(F)c1ccc2c(c1)CCC2Nc1nc(=O)nc(C2(CCC)CC2)[nH]1,WGQXHYZDYBPUSC-UHFFFAOYSA-N
-rxn:2:107125:141891,Cc1ccc(C(Nc2cccc(C)c2OC2CCCCC2)C2CCCCC2)cc1C(C)(C)C,OGEKNLCMGYPFBN-UHFFFAOYSA-N
-rxn:2:107293:77223,CCCC1CCN(c2c[nH]nc2NC(CN2CCC(C)CC2)c2cc(C)ccc2OCC)CC1,ZNLHIGMLBHATQY-UHFFFAOYSA-N
-rxn:2:107439:145705,CC(C)CC(CN1CCCN(C)CC1)NC(c1ccc(-c2cnc3[nH]c(=O)[nH]c3c2)cc1)C(C)C,KENPEPBNAXEVBK-UHFFFAOYSA-N
-rxn:2:108426:83842,CC(NCCC1CN(Cc2ccccn2)CCC1(C)C)c1ccc(OCC2CCCN(C)C2)cc1,BNDGTYSMDJLHCW-UHFFFAOYSA-N
-rxn:2:108479:133341,CCC(NCc1nccc(N2CCC(N(C)C)CC2)n1)c1cc(C)ccc1OCC(C)C,GIEGDQZPPSHNJT-UHFFFAOYSA-N
-rxn:2:108764:158106,CCCCCC(NC1CCC(c2nc(CC(C)C)cs2)CC1)c1cn(C)c(=O)n(C)c1=O,XZDYJTDPJRRHGD-UHFFFAOYSA-N
-rxn:2:108912:152050,CC(NCC(C)(C)N(C)c1n[nH]c(=O)[nH]c1=O)SCCC#Cc1ccc(C(=O)C(C)C)cc1,AZOSTPGGMXGHBJ-UHFFFAOYSA-N
-rxn:2:109467:110220,CN(C1CC1)C1(CNC2CCC(S(=O)(=O)c3cccs3)CC2)CN2CCC1CC2,MAEQXUMTQQENFG-UHFFFAOYSA-N
-rxn:2:109467:157049,CN(C1CC1)C1(CNC2CC3(CS(=O)(=O)C3)Oc3ccccc32)CN2CCC1CC2,TVHNPGNRZWNWSE-UHFFFAOYSA-N
-rxn:2:109605:126559,CC1CCC(Nc2c(C(C)C)c(C(C)C)n[nH]c2=O)C(CN(C)C(C)C)C1,JVVNWVYFSMDSQE-UHFFFAOYSA-N
-rxn:2:109605:142768,Cc1ccc(C(C)C)cc1C(C#CN1CCCC1)Nc1c(C(C)C)c(C(C)C)n[nH]c1=O,XXLBSPBNGVNVEP-UHFFFAOYSA-N
-rxn:2:109605:145113,Cc1ccc(C(C)C)cc1C(C#CN1CCCCC1)Nc1c(C(C)C)c(C(C)C)n[nH]c1=O,DHOFXBIKBPXODC-UHFFFAOYSA-N
-rxn:2:109710:114498,CCC(CN1CCC(N(C)C)CC1)Nc1c(C)ccnc1OCC(C)C,YFQWIWSUMFHVLM-UHFFFAOYSA-N
-rxn:2:109800:138759,CCC(C(Nc1cnc(OCC2CCN(CC)CC2)nc1)c1ccccc1)N1CCCOCC1,QOQHJKSEOKRLMB-UHFFFAOYSA-N
-rxn:2:110004:152904,CCCC(NCC1(N(C)C(C)CC)CCC(C)CC1)c1ccc(-c2cc3[nH]c(=O)[nH]c3cn2)cc1,XKJDIFGFVKIICE-UHFFFAOYSA-N
-rxn:2:111610:115972,CC1(C)[C@@H]2CC[C@]1(CS(=O)(=O)F)C(NC1(COS(=O)(=O)[O-])CCCC1)C2,LCYLZUDBZDYLNK-LRRQEPCHSA-M
-rxn:2:111610:159916,COc1ccc(C(NC2(COS(=O)(=O)[O-])CCCC2)C23CN4CN(CN(C4)C2)C3)cc1,IZTQWCDDKXCQME-UHFFFAOYSA-M
-rxn:2:112507:164028,C=C=Cc1ccc(C(NCCN2CCC3(CC2)CC(OC)CCO3)c2ccccn2)cc1,IRYUPGOANRQLPI-UHFFFAOYSA-N
-rxn:2:112507:164338,CCC1CC(C(NCCN2CCC3(CC2)CC(OC)CCO3)c2nc3ccccc3o2)C1,RKCGYRNVRCPTDZ-UHFFFAOYSA-N
-rxn:2:112946:164411,CCC(NC1CC(C(c2ccc3[nH]cnc3c2)N(C)C)C1)c1ccccc1OCC1CCCCC1,SRJHGNWICFDSOL-UHFFFAOYSA-N
-rxn:2:112946:164461,CCC(Nc1ccc2c(c1)ncn2C1CCN(C2CC2)C1)c1ccccc1OCC1CCCCC1,XSUCUGUMHUXYEB-UHFFFAOYSA-N
-rxn:2:113065:106168,CCC1CC(C(NC2(CCOc3ccc(C)cc3)CCN(C)CC2)c2ccnn2C)C1,MDHDRJCMFZKUJI-UHFFFAOYSA-N
-rxn:2:113065:127447,Cc1ccc(OCCC2(NC(c3ccncc3)C3CCN(C)CC3)CCN(C)CC2)cc1,BBQHXQRVWVSJBP-UHFFFAOYSA-N
-rxn:2:114419:139138,CC1(C)C2CCC1(CS(=O)(=O)[O-])C(NCCC(C1CCC1)C1C3CC4CC(C3)CC1C4)C2,GKPLCSQQURNVOV-UHFFFAOYSA-M
-rxn:2:114513:164636,CCC(NC(CCN1CCCC(C)C1)c1ccc2[nH]c(C)nc2c1)C1CCN(c2ccccc2OC)C1,GZPIQLURSRGGDG-UHFFFAOYSA-N
-rxn:2:115389:138055,CCC(C(Nc1cnc(OCC2CCN(C3CC3)CC2)nc1)c1ccc2c(c1)CCCC2)N1CCCC1,GROLZXFCVPJKOA-UHFFFAOYSA-N
-rxn:2:115454:143818,CC1CC(C)CN(C(c2cccnc2)C(C)NC(C)CC(c2ccc3[nH]c(=O)[nH]c3c2)N(C)C)C1,JDPDXNMALASNAU-UHFFFAOYSA-N
-rxn:2:115680:164411,CCC(COCC1CCOC1)NC1CC(C(c2ccc3[nH]cnc3c2)N(C)C)C1,NYIJGQUZKXBPOX-UHFFFAOYSA-N
-rxn:2:116821:84030,CC(Nc1cnc(OCC2CCN(C)CC2)nc1)c1ccc(OCCC2CCCN2C)cc1,IFVLEKXGBFHQDE-UHFFFAOYSA-N
-rxn:2:116990:143222,CCCC(NC(CC)C(C)N(C)C1CCCN(C)C1)c1ccc(-c2nc3ccsc3c(=O)[nH]2)cc1,TULKUUTVDZIPRL-UHFFFAOYSA-N
-rxn:2:117066:116862,CC(NCC1(S(C)(=O)=O)CCCCCC1)c1ccc(OS(=O)(=O)[O-])cc1,BOGCZBKDNYQEDY-UHFFFAOYSA-M
-rxn:2:117825:152573,CCOCC1CCCN(c2ncccc2NC(CN2CC(C)CC(C)C2)c2ccc3[nH]c(CC)nc3c2)C1,BFVKPDAPYZMLLY-UHFFFAOYSA-N
-rxn:2:117825:77307,CCOCC1CCCN(c2ncccc2NC(C)CCCN2C(C)CCCC2C)C1,FUANCNHNRUWGLR-UHFFFAOYSA-N
-rxn:2:118641:144270,CC(=O)c1cccc(C2C(CSC(C)Nc3cn(CCC(C)C)c(=O)[nH]c3=O)C2(F)F)n1,HAOHYVPXNMWVSH-UHFFFAOYSA-N
-rxn:2:118921:152573,CCc1nc2cc(C(CN3CC(C)CC(C)C3)Nc3ccc(OCC4CC4)c(CC)c3)ccc2[nH]1,FHHRNGXBKQMFQZ-UHFFFAOYSA-N
-rxn:2:119260:149130,CCc1nc2cc(C(CCN3CCCCC3)Nc3cnc(OCC4CCCCN4C)nc3)ccc2[nH]1,QMDIIWFRYJWVPQ-UHFFFAOYSA-N
-rxn:2:119530:92430,CCCCCC(NCc1ccc(C)nc1N1CCC(N(C)C)CC1)c1cccc(C)c1C,NDCGZVOVZCWANF-UHFFFAOYSA-N
-rxn:2:119568:107357,CCC(NC(C)c1ccc(OCC2CCCN(C)C2)cc1)c1ccc(N2CCCCCC2)nc1C,HOPJJZPYKJGTAC-UHFFFAOYSA-N
-rxn:2:119568:117704,CCC1CCCN(CC(NC(C)c2ccc(OCC3CCCN(C)C3)cc2)c2cc(C)[nH]c2C)C1,OUWNUBDHJMZPNR-UHFFFAOYSA-N
-rxn:2:119568:95376,CCC(NC(C)c1ccc(OCC2CCCN(C)C2)cc1)c1ccc(N2CCCC2)nc1C,HCRJKQVHKGESJL-UHFFFAOYSA-N
-rxn:2:120226:88564,Cc1cccc(C2CCN(C3CC3)CC2NC2C3(C)CCC4C3(C)COC42S(=O)(=O)[O-])c1,DCSQGGXCHDYRKZ-UHFFFAOYSA-M
-rxn:2:120784:135127,CCOCC1CCN(c2ccccc2NC(C)c2cnc(N3CCN(C)CC3)nc2C)CC1,LGKXLBXMOZTRCV-UHFFFAOYSA-N
-rxn:2:121265:130197,CCC(NCCCc1ncc(C2CCN(C)C2)[nH]1)c1ccc(N2CCN(C)CC2)nc1C,FTQBNRICVVNSGY-UHFFFAOYSA-N
-rxn:2:125133:139138,CN(Cc1ccco1)C1CCC(ONC2CC3CCC2(CS(=O)(=O)[O-])C3(C)C)CC1,OYGRTTDIXASGJK-UHFFFAOYSA-M
-rxn:2:125286:152904,CCCC(NC1CCC(C(C2CCC2)N(C)C)CC1)c1ccc(-c2cc3[nH]c(=O)[nH]c3cn2)cc1,GUHOWBFEOBCXJY-UHFFFAOYSA-N
-rxn:2:125295:123997,CCC(CC)(CNC1CC(CS(=O)(=O)F)C1)C1C2CC3CC(C2)CC1C3,JWXYKYZRBWQZPT-UHFFFAOYSA-N
-rxn:2:125295:138477,CCC(CC)(NC1CC(CS(=O)(=O)F)C1)C1C2CC3CC(C2)CC1C3,QVLVAIWVPVNBSM-UHFFFAOYSA-N
-rxn:2:125722:116958,CCc1ccc(N2CCC(OC)CC2)c(NC(CN2CCOCC2)c2cnn(CC)c2)c1,QAYFUFOWVUCQKG-UHFFFAOYSA-N
-rxn:2:125722:137123,CCc1ccc(N2CCC(OC)CC2)c(NC(CN2CCOCC2)c2cnn(C)c2)c1,GAAITFXSUOHZDA-UHFFFAOYSA-N
-rxn:2:125722:147524,CCc1ccc(N2CCC(OC)CC2)c(NC(CCN2CCCC2)c2ccc3[nH]c(CC)nc3c2)c1,GBMIBAHZPBLGSG-UHFFFAOYSA-N
-rxn:2:125722:153615,CCc1ccc(N2CCC(OC)CC2)c(NC(C)c2c(N3CCCCC3)[nH]c3ccc(CC)cc23)c1,SJBQQCDVGNUGPA-UHFFFAOYSA-N
-rxn:2:125722:154474,CCc1ccc(N2CCC(OC)CC2)c(NC2CCc3c(-c4ccnc(N5CCOCC5)c4)cccc32)c1,QTAVUBKTGBVGSK-UHFFFAOYSA-N
-rxn:2:125722:160186,CCc1ccc(N2CCC(OC)CC2)c(NC(C#CN2CCCC2)c2ccc3[nH]c(C)nc3c2)c1,IFQOHYAALNAAKS-UHFFFAOYSA-N
-rxn:2:125722:90505,CCc1ccc(N2CCC(OC)CC2)c(NC(CN2CCOCC2)c2cnn(CC)c2C)c1,RMKDVQHHXCKQNF-UHFFFAOYSA-N
-rxn:2:125726:164078,CCN1CCC(N(C)C(CNC(C)c2ccc(-c3ccccn3)[nH]c2=O)C(C)(C)C)CC1,DHFWDRHYHAGWCX-UHFFFAOYSA-N
-rxn:2:126293:171204,CCC(Nc1cncnc1OC1CCCC1N(C)C1CC1)c1ccc(-c2cccc3c2CCCC3)cc1C,UHXNBVKHHWHEKF-UHFFFAOYSA-N
-rxn:2:126327:149807,CCC1COCCN1C1(CNC(c2ccc(-c3nc4nc[nH]c4c(=O)[nH]3)cc2)C(C)C)CCN(C)C1,NTHUXTNWGDUHLE-UHFFFAOYSA-N
-rxn:2:126600:161135,Cc1ccc(C(C)Nc2cc(C3C4CC5CC(C4)CC3C5)n[nH]c2=O)c(OS(=O)(=O)F)c1,AZDVMOINYZGOMJ-UHFFFAOYSA-N
-rxn:2:126810:74747,CC(c1ccc(CNC2C[C@H]3CC[C@]2(CS(=O)(=O)[O-])C3(C)C)cc1)C1CC1,WKMRJTZEXOALCD-AMIGMRAGSA-M
-rxn:2:127968:145206,CCC1(O[Si](C)(C)C(C)(C)C)CCC(NC(C)c2cc(-c3ccccn3)n[nH]c2=O)CC1,KFNHCMGWFDGWEN-UHFFFAOYSA-N
-rxn:2:127968:155346,CCC1(O[Si](C)(C)C(C)(C)C)CCC(NCCCc2c(-c3ccncc3)[nH][nH]c2=O)CC1,QDMHHUJIZQUPOT-UHFFFAOYSA-N
-rxn:2:128106:144920,CCC(COC1CCN(C)CC1)NC(C)c1c(-c2cccc(OC(C)C)c2)cn[nH]c1=O,FZWCEKYLLHYENG-UHFFFAOYSA-N
-rxn:2:128765:129440,CC(C)c1ccc(C(C)NCC(C)(C(C)C)N2CCC(N(C)C)CC2)c(=O)[nH]1,LAAPCXPETJPLAE-UHFFFAOYSA-N
-rxn:2:128765:143114,CCn1c(-c2cccs2)ccc(C(C)NCC(C)(C(C)C)N2CCC(N(C)C)CC2)c1=O,SKDZDACOEOHYPM-UHFFFAOYSA-N
-rxn:2:128765:157727,CCCn1nc(-c2cccnc2)cc(C(C)NCC(C)(C(C)C)N2CCC(N(C)C)CC2)c1=O,HKRCGLXLLZGPDH-UHFFFAOYSA-N
-rxn:2:128765:166631,Cc1c[nH]c(-c2ccc(C(C)NCC(C)(C(C)C)N3CCC(N(C)C)CC3)s2)cc1=O,XRSHDCWNBPNPHJ-UHFFFAOYSA-N
-rxn:2:128765:168671,CCn1cc(-c2ccc(C(C)NCC(C)(C(C)C)N3CCC(N(C)C)CC3)s2)ccc1=O,ZLJRNVBVYLHQQY-UHFFFAOYSA-N
-rxn:2:129505:123273,CC(C)OCCC(Nc1ncccc1CN1CCC(N(C)C)CC1)C(C)C,UEYTVMABUNSNBG-UHFFFAOYSA-N
-rxn:2:130553:67403,CCC(Nc1cc(C)ccc1OCCN1CCOCC1)c1cnc(N2CCCC2)cc1C,OCKAPAOTSLDABG-UHFFFAOYSA-N
-rxn:2:130854:74747,CCC(C)CC1(CNC2C[C@H]3CC[C@]2(CS(=O)(=O)[O-])C3(C)C)CC2CCC1C2,FAGTUWQZOSBECK-OIXJBPKNSA-M
-rxn:2:131193:158236,CCOc1ccc(C(CN2CCCC(C)C2)Nc2ccc(N3CCC(OC)CC3)nc2)c(C)c1C,XHCSVMKYKXXKSY-UHFFFAOYSA-N
-rxn:2:131357:106409,CCCC(Nc1ccc(C2CCN(C)CC2)nc1OC(C)C)C1CCN(c2cnccn2)C1,KKLULGOVUSRAEE-UHFFFAOYSA-N
-rxn:2:131357:170420,CCC(Nc1ccc(C2CCN(C)CC2)nc1OC(C)C)c1cnc(N2CCCc3ccccc32)c(C)c1,UUSDLWUXAMGMRK-UHFFFAOYSA-N
-rxn:2:131554:135747,CC(CCCN1CCC2(CCCCC2)CC1)Nc1ccc(OCC2CC(F)C2)nc1,LHTTTZGPELZKFI-UHFFFAOYSA-N
-rxn:2:131786:154760,CC(NC(C)(C)CN(C)Cc1ccc2[nH]c(=O)[nH]c2c1)c1cccc(C(F)C2CCN(C)CC2)c1,XJSWGZGXWSJSKF-UHFFFAOYSA-N
-rxn:2:131805:171694,COC1C(NC2CCOc3c(-c4cccc(OC5CC5)c4)cc(C)cc32)C12CCOCC2,GOSNNXYIHGMZGW-UHFFFAOYSA-N
-rxn:2:132141:164411,CCCC(COC1CCC(C)CC1)NC1CC(C(c2ccc3[nH]cnc3c2)N(C)C)C1,HRLQIXJUWYEZPA-UHFFFAOYSA-N
-rxn:2:132257:75960,CCC(Nc1ccc(OCCC2CCCN2C)cn1)C1CCCCN1C(C)C,HUQSFNRRKCZJMN-UHFFFAOYSA-N
-rxn:2:132257:77307,CC(CCCN1C(C)CCCC1C)Nc1ccc(OCCC2CCCN2C)cn1,NFXRBCKZDCXQEU-UHFFFAOYSA-N
-rxn:2:134079:117704,CCC1CCCN(CC(NC2CN(C)CCC2c2cc3ccccc3o2)c2cc(C)[nH]c2C)C1,HJUTXNYNQKAWFK-UHFFFAOYSA-N
-rxn:2:134212:92979,CCOCC1CCN(c2ccc(NC(CC)C3(c4cc(C)ccc4C)CCN(C)CC3)cn2)C1,IPXYLWJPCBQSLG-UHFFFAOYSA-N
-rxn:2:134425:147935,CCN1CCC(N(C)C2(CNC(C)c3ncc(-c4cnc5ccccc5c4)cc3OC)CCCC2)CC1,HHLJBIAVDWMLMA-UHFFFAOYSA-N
-rxn:2:134611:77307,CC(CCCN1C(C)CCCC1C)Nc1cnccc1OCC1CCC1,KBUDBDDUUBLCCK-UHFFFAOYSA-N
-rxn:2:134930:149407,Cc1ccc(C(N(C)C)C2(CNC(CC3=NCCO3)c3ccc4[nH]c(=O)[nH]c4c3)COC2)cc1C,ASSFGOHGQMRZGG-UHFFFAOYSA-N
-rxn:2:135885:145799,CCc1c(C(NC(CC)C(N(C)C2CCCCC2)C(C)(C)C)c2cc(C)cc(C)c2)[nH]c(=O)[nH]c1=O,LUAACUZWTKRKCT-UHFFFAOYSA-N
-rxn:2:137097:74747,CCN1CCN(c2ccc(CNC3C[C@H]4CC[C@]3(CS(=O)(=O)[O-])C4(C)C)cc2C)CC1,BBOFBAMMFRBCQL-YQNXBIPGSA-M
-rxn:2:137777:161239,CCN1CC2CC(C(C)C)CC(NC(CSc3n[nH]c(=O)[nH]c3=O)c3cccc(OC)c3)(C1)C2(F)F,NWBLHZORKAHMJY-UHFFFAOYSA-N
-rxn:2:138055:112215,CCC(C(Nc1cnc(OCC2CCN(C3CC3)CC2)nc1)c1ccc2c(c1)CCC2)N1CCCC1,BVNZFUXIKQAHDS-UHFFFAOYSA-N
-rxn:2:138111:144920,CCOC1(CNC(C)c2c(-c3cccc(OC(C)C)c3)cn[nH]c2=O)CC(C)CC(C)C1,HZVHTPYIWINMFH-UHFFFAOYSA-N
-rxn:2:138111:161239,CCOC1(CNC(CSc2n[nH]c(=O)[nH]c2=O)c2cccc(OC)c2)CC(C)CC(C)C1,KDMANDLYCKBKIZ-UHFFFAOYSA-N
-rxn:2:138545:83490,CCCC(C(Nc1ccc(OC2CCN(C)CC2)cn1)c1ccc2c(c1)CCO2)N1CCCC1,HZVHJBVOFHVXJP-UHFFFAOYSA-N
-rxn:2:138661:149130,CCc1nc2cc(C(CCN3CCCCC3)Nc3cnccc3OC3CCN(C)CC3)ccc2[nH]1,PJKYSQYEPWYZSA-UHFFFAOYSA-N
-rxn:2:138661:77223,CCOc1ccc(C)cc1C(CN1CCC(C)CC1)Nc1cnccc1OC1CCN(C)CC1,LFCNMMGJVUHIKZ-UHFFFAOYSA-N
-rxn:2:138759:102278,CCN1CCC(COc2ncc(NC(C)c3cc(C)ccc3OCC3CCCC3)cn2)CC1,KKJQICSTPZIAFL-UHFFFAOYSA-N
-rxn:2:138759:130836,CCN1CCC(COc2ncc(NC(c3ccc(C)cc3)C(C)CN3CCCC3)cn2)CC1,UYLFYJDERMSCSP-UHFFFAOYSA-N
-rxn:2:140012:152545,COC1CCOC2(CCN(CCCNC(c3ccc(-c4cnn(C)c4)cc3)C3CC3)C2)C1,JJIPROBNFUYAMC-UHFFFAOYSA-N
-rxn:2:141435:106168,CCC1CC(C(Nc2ccc(N3CCC(C)C3)nc2OCC(C)C)c2ccnn2C)C1,AQEAWDAAKIVSBP-UHFFFAOYSA-N
-rxn:2:141435:120015,CCCC(C#CN1CCN(C)CC1)Nc1ccc(N2CCC(C)C2)nc1OCC(C)C,NOCNBISKEITNEL-UHFFFAOYSA-N
-rxn:2:142074:154947,CCC1CC(C(NC(CN2CCC(N(C)C)CC2)c2c[nH]c3ccccc23)c2ccnn2C)C1,ITTBFDJZZVHXRC-UHFFFAOYSA-N
-rxn:2:142099:136625,CC1CC(C)(C)CC(NC(C)c2cccc(OCCN3CCCCC3)c2)(c2cnn(C)c2)C1,WASBLNGIZGAYRO-UHFFFAOYSA-N
-rxn:2:145037:132787,CCOc1ccc(C(C)NCC2(c3ncc(-c4ccc(C)cc4)[nH]3)CCC2)cc1OC1CCN(C)CC1,WIDZUIKFNQQWDQ-UHFFFAOYSA-N
-rxn:2:146199:154947,Cc1ncnc2c1c(C1(CNC(CN3CCC(N(C)C)CC3)c3c[nH]c4ccccc34)CCCC1)cn2C,PSGWWVWZPQYVMI-UHFFFAOYSA-N
-rxn:2:149125:144192,CCOc1ccc(C(C#CN2CCCC2)Nc2n[nH]c3cccc(N4CCCN(C)CC4)c23)cc1C,GBSRNMSUIYVLOQ-UHFFFAOYSA-N
-rxn:2:149850:154947,Cc1ncnc2c1c(C1(NC(CN3CCC(N(C)C)CC3)c3c[nH]c4ccccc34)CCCCC1)cn2C,HVOJUPCFJRYNPR-UHFFFAOYSA-N
-rxn:2:153635:154947,CCC(CC)C(NC(CN1CCC(N(C)C)CC1)c1c[nH]c2ccccc12)c1ccc2c(c1)oc(=O)n2C,NRLYWCASCFBZIZ-UHFFFAOYSA-N
-rxn:2:156863:132787,CCOc1ccc(C(C)NC(C)(C)C(c2ccc3[nH]c(=O)[nH]c3c2)N(C)C)cc1OC1CCN(C)CC1,BMUZLLWQMQHRLU-UHFFFAOYSA-N
-rxn:2:165017:70249,CCCC(Nc1ccc(COc2ccc(C)c(C)c2)cc1)C1CCCCN1C1CCCC1,BFLFQQJYMBRWJF-UHFFFAOYSA-N
-rxn:2:167218:155396,CC(=O)c1ccc(C2C(CSC(C)NC(c3ccc4[nH]c(=O)oc4c3)C3CCCN3C)C2(F)F)nc1,MXMSXTZGMIUXIY-UHFFFAOYSA-N
-rxn:2:167886:130197,CCC(Nc1nc2ccccc2n1CCN1CCOCC1)c1ccc(N2CCN(C)CC2)nc1C,RSGNCJJJPYNWGX-UHFFFAOYSA-N
-rxn:2:167892:132787,CCOc1ccc(C(C)Nc2ccc(Cn3nc4n(c3=O)CCCC4)cn2)cc1OC1CCN(C)CC1,LOIQOENLVAIONM-UHFFFAOYSA-N
-rxn:2:66038:167745,CS(=O)(=O)OC1CCC(NC(c2ccc(S(C)(=O)=O)cc2)C23CC(C2)C3)CC1,MYMBCYRWJGVAFQ-UHFFFAOYSA-N
-rxn:2:66038:91416,CC1(C)C2CCC1(CS(=O)(=O)F)C(NC1CCC(OS(C)(=O)=O)CC1)C2,BFLBYPPYMBKRCY-UHFFFAOYSA-N
-rxn:2:66578:126409,CCCC(CCS(C)(=O)=O)NC1([C@@H]2CCN(Cc3ccccc3)C2)CC1,PIVGYQXRDVWNLO-FIWHBWSRSA-N
-rxn:2:66580:155396,CC(=O)c1ccc(C2C(CSC(C)NCC(C)(C3CC3)n3[nH]c(=O)ccc3=O)C2(F)F)nc1,QTJYWILGWWCJIZ-UHFFFAOYSA-N
-rxn:2:66635:139138,CC1(C)C2CCC1(CS(=O)(=O)[O-])C(NCC1(F)CCSC1)C2,LJLJQACYGLFULF-UHFFFAOYSA-M
-rxn:2:66872:74339,CCCC(N[C@H](COc1ccc2ncccc2c1)C(C)C)C1CCCN1C1CCCC1,PBLMMSHMVMJBAY-WTGGTCQISA-N
-rxn:2:67048:160010,CC(NCCCC1CCCCN(C2CCCC2)C1)c1c[nH]c2nccc(OCc3ccccc3)c12,BNEJLWJCLPXKKZ-UHFFFAOYSA-N
-rxn:2:67412:105025,CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)F)C(NCC#CC1CC1)C2,NGZLAADQMKEEBJ-XRZAVGITSA-N
-rxn:2:67616:103206,CN1C2CCC1CC(CNC1CS(=O)(=O)Oc3ccccc31)(N1CCCC1)C2,CXIJQOGHLGUBRN-UHFFFAOYSA-N
-rxn:2:67972:74525,CC(=O)c1ccc(C)c(CCCSC(C)NC2(c3ncc[nH]3)C(C)(C)CCC2(C)C)c1,CNYTYEZGDSNIJZ-UHFFFAOYSA-N
-rxn:2:68032:143495,CC(NC(C)(C)CC(C1CCCCC1)N(C)C)c1ccc(-c2nc3c(=O)n(C)c(=O)n(C)c3[nH]2)cn1,IKXPSVCFSGWKOU-UHFFFAOYSA-N
-rxn:2:68346:92636,CCN(C)CC(NCC1(S(=O)(=O)CC)CC2(CC2)C1)c1ccn(C)c1,TURNISCNPRJOKB-UHFFFAOYSA-N
-rxn:2:68403:130197,CCC(Nc1ccc(C)cc1OCCN1CCCCC1)c1ccc(N2CCN(C)CC2)nc1C,KYUMOSJHRCXGDN-UHFFFAOYSA-N
-rxn:2:68654:146282,COC1CCC(N2CCC(NC(C)c3ccn(S(=O)(=O)c4ccc(C)cc4)c3)CC2)CC1,AGZPTWDNNXGUCH-UHFFFAOYSA-N
-rxn:2:68654:152294,COC1CCC(N2CCC(NC(C)c3cccn3S(=O)(=O)c3ccc(C)cc3)CC2)CC1,VJQTZCRJSKHOAN-UHFFFAOYSA-N
-rxn:2:68813:125295,CON(C)C(CNC1CC(CS(=O)(=O)F)C1)C12CC3CC(CC(C3)C1)C2,BQZSVNMGNJKALT-UHFFFAOYSA-N
-rxn:2:68924:114262,COCS(=O)(=O)c1ccc(C(C)NCC(C)C23CC4CC(C2)CC(N(C)C)(C4)C3)cc1,LHPIXWUZOKDBLO-UHFFFAOYSA-N
-rxn:2:68924:118444,CCS(=O)(=O)OC[C@@H]1CCC(NCC(C)C23CC4CC(C2)CC(N(C)C)(C4)C3)C1,LOZQVPUGIUJNKR-KIOWUQBGSA-N
-rxn:2:68924:84015,CC(CNC1CC2CC[C@@]1(CS(=O)(=O)[O-])C2(C)C)C12CC3CC(C1)CC(N(C)C)(C3)C2,MLZSPFKHCFNEIU-ZDXCCAOXSA-M
-rxn:2:69035:150606,COc1cc(N2CCC(N(C)C)CC2)ccc1NC(CCN1CCCCC1)c1ccc2[nH]c(C)nc2c1,AHMOVYMIDUNWPG-UHFFFAOYSA-N
-rxn:2:69035:72383,COc1cc(N2CCC(N(C)C)CC2)ccc1NC(c1cnc(C2CC2)nc1OC)C(C)C,DWKPFWBDYARQQA-UHFFFAOYSA-N
-rxn:2:69317:132141,CCCC(COC1CCC(C)CC1)Nc1ccc(N2CCCCC2)cn1,GXDPQCQCVMONBT-UHFFFAOYSA-N
-rxn:2:69369:91416,CC1(C)C2CCC1(CS(=O)(=O)F)C(NC1CCS(=N)(=O)C1)C2,IUGSGDOPPVGKIE-UHFFFAOYSA-N
-rxn:2:69429:121648,CCN1CCC(n2nccc2NC(COCC2CCOCC2)c2ccccc2C)CC1,JSKRNFTWUZNWMT-UHFFFAOYSA-N
-rxn:2:69487:93780,CC(C)CCC(Nc1ccc(OCCN2CCC(C)CC2)nc1)C1CC1,UKZXHKNBZXDCRI-UHFFFAOYSA-N
-rxn:2:69532:128645,CCC(Nc1ccn(CCN2CCCC2)n1)C1CCN(C2CCC2)C1,YEQXOPXVCQYTSR-UHFFFAOYSA-N
-rxn:2:69566:145799,CCc1c(C(NCC2(N(C)C)CN3CCC2CC3)c2cc(C)cc(C)c2)[nH]c(=O)[nH]c1=O,PRZRIMCDZPYHEE-UHFFFAOYSA-N
-rxn:2:70202:138546,CCn1c(C)cc(C(COC2CCC2)Nc2ccc(N3CCC(N(C)C)CC3)cn2)c1C,MQLFSUXNDAHIBR-UHFFFAOYSA-N
-rxn:2:70434:89817,CCC(CNC1CC(CCS(C)(=O)=O)C1)(OC)C12CC3CC(CC(C3)C1)C2,XNBIBQMEXSUEHW-UHFFFAOYSA-N
-rxn:2:70525:139138,CC(C)[C@@H](C#CC1CC1)NC1CC2CCC1(CS(=O)(=O)[O-])C2(C)C,GVGJFKYEMLDBBQ-DSICWQNTSA-M
-rxn:2:70525:84015,CC(C)[C@@H](C#CC1CC1)NC1CC2CC[C@@]1(CS(=O)(=O)[O-])C2(C)C,GVGJFKYEMLDBBQ-AFNJWWOFSA-M
-rxn:2:70591:110003,CCC(Nc1ccc(N2CCC(N(C)C)CC2)nc1)c1c(C)cc(OCC(C)C)cc1C,BAJYXSQTETZPIJ-UHFFFAOYSA-N
-rxn:2:70591:138546,CCC(Nc1ccc(N2CCC(N(C)C)CC2)cn1)c1c(C)cc(OCC(C)C)cc1C,DIXKTIBAKZKUPD-UHFFFAOYSA-N
-rxn:2:70591:93686,CCC(Nc1cnccc1N1CCC(N(C)C)CC1)c1c(C)cc(OCC(C)C)cc1C,JRXYLUBWWAMJJG-UHFFFAOYSA-N
-rxn:2:70683:111573,COCc1cc(OS(=O)(=O)F)ccc1NC1CCN(C23CC(C2)C3)CC1,VOJDFTMLLNJPAF-UHFFFAOYSA-N
-rxn:2:70685:138477,CCC(CC)(NC1CC(S(=O)(=O)F)C1)C1C2CC3CC(C2)CC1C3,PUTVHRZWPXUTIB-UHFFFAOYSA-N
-rxn:2:71219:110003,CC(C)OCCC(Nc1ccc(N2CCC(N(C)C)CC2)nc1)C1CC1,KUAHYCLDDKHOLL-UHFFFAOYSA-N
-rxn:2:71941:114498,CCC(CN1CCC(N(C)C)CC1)Nc1cc(C(F)C(C)C)n(C)n1,FZFQGIBPXQEMBC-UHFFFAOYSA-N
-rxn:2:71988:110396,CCC1CCCN(CCCC(C)Nc2cccnc2OCC2CCN(C)CC2)C1,APQRUWZWADFCQQ-UHFFFAOYSA-N
-rxn:2:71988:150606,Cc1nc2cc(C(CCN3CCCCC3)Nc3cccnc3OCC3CCN(C)CC3)ccc2[nH]1,OOOZCCHKLJGGJR-UHFFFAOYSA-N
-rxn:2:71988:77223,CCOc1ccc(C)cc1C(CN1CCC(C)CC1)Nc1cccnc1OCC1CCN(C)CC1,HNQHZYWUBILGQH-UHFFFAOYSA-N
-rxn:2:72406:168561,Cc1ccc(C(N(C)C)C2(CNC(C#CN3CCCCC3)c3ccc4[nH]c(=O)[nH]c4c3)CCC2)cc1C,YWLAWFBEEFYAFT-UHFFFAOYSA-N
-rxn:2:72765:129375,CC1CC(C)CN(c2ccc(C(Nc3cn(COC(C)C)c(=O)[nH]c3=O)C(C)C)cc2)C1,LZWOYGWOVFDZND-UHFFFAOYSA-N
-rxn:2:73038:143480,CCC(NC1(C(c2ccc3oc(=O)[nH]c3c2)N(C)C)CC1)c1cnc(N2CCN(CC)CC2)cc1C,ZBBSIGLTNYGLIX-UHFFFAOYSA-N
-rxn:2:73437:139138,CC1(C)C2CCC1(CS(=O)(=O)[O-])C(NCC1(F)CN3CCC1CC3)C2,PUALSKGCXLRPBB-UHFFFAOYSA-M
-rxn:2:73467:143222,CCCC(NC1(C(C2CCN(C)CC2)N(C)C)CC1)c1ccc(-c2nc3ccsc3c(=O)[nH]2)cc1,XAEGLBNKJCOACU-UHFFFAOYSA-N
-rxn:2:73779:148983,CC(NCC1(N2CCC(N(C)C)CC2)CCN(C)C1)c1ccc(-c2ccc3o[nH]c(=O)c3c2)s1,QSCNLWRKVTXXMX-UHFFFAOYSA-N
-rxn:2:73866:109467,CC(NCC1(N(C)C2CC2)CN2CCC1CC2)c1cn(C)c(=O)n(C)c1=O,FBLYNXQJDLOIRV-UHFFFAOYSA-N
-rxn:2:74129:152904,CCCC(NC1CCC(C(C2CCCCC2)N(C)C)CC1)c1ccc(-c2cc3[nH]c(=O)[nH]c3cn2)cc1,FEMCLGBSBYTUBA-UHFFFAOYSA-N
-rxn:2:74153:70591,CCC(Nc1cccnc1N1CCC(N(C)C)CC1)c1c(C)cc(OCC(C)C)cc1C,UUCQWEDXSJXLPB-UHFFFAOYSA-N
-rxn:2:74744:67403,CCC(Nc1ccc(OCCN2CCOCC2)cc1C)c1cnc(N2CCCC2)cc1C,SGZQMBGXSQQDDP-UHFFFAOYSA-N
-rxn:2:74747:102457,CC(CCC12CC3CC(CC(C3)C1)C2)(NC1C[C@H]2CC[C@]1(CS(=O)(=O)[O-])C2(C)C)C1CC1,ZARWFTGQIKORTD-ZVACBSHBSA-M
-rxn:2:74747:112545,CC(C)[C@H](C#CC1CC1)NC1C[C@H]2CC[C@]1(CS(=O)(=O)[O-])C2(C)C,GVGJFKYEMLDBBQ-SUTQANCOSA-M
-rxn:2:74747:85599,CC(C)C1(NC2C[C@H]3CC[C@]2(CS(=O)(=O)[O-])C3(C)C)CCC(F)CC1,VWLYLPWCNRYOKE-BPXRBTBCSA-M
-rxn:2:74888:148983,CC(NCC(C1CCOC1)N1CCC(N(C)C)CC1)c1ccc(-c2ccc3o[nH]c(=O)c3c2)s1,LCGQZEIIDMMVBY-UHFFFAOYSA-N
-rxn:2:74888:151468,CC(NCC(C1CCOC1)N1CCC(N(C)C)CC1)c1ccccc1-c1cc2[nH]c(=O)[nH]c2cn1,HJRFFXRMPBOTOR-UHFFFAOYSA-N
-rxn:2:74888:152388,CC(NCC(C1CCOC1)N1CCC(N(C)C)CC1)c1ccc(-c2cc3[nH]c(=O)[nH]c3cn2)s1,BPFUDCFWRNMONP-UHFFFAOYSA-N
-rxn:2:74888:163163,CCc1[nH]c(=O)[nH]c1C(NCC(C1CCOC1)N1CCC(N(C)C)CC1)c1ccc(-n2ccnc2)cc1,SKLPBUWCZIXDDA-UHFFFAOYSA-N
-rxn:2:74888:166877,CC(NCC(C1CCOC1)N1CCC(N(C)C)CC1)c1sccc1-c1n[nH]c(=O)c2ncccc12,JDKXGEBGAOASFK-UHFFFAOYSA-N
-rxn:2:75130:134221,CCOCC1CCN(c2ncccc2NC(CC)c2cnc(N3CCN(C)CC3)cc2C)CC1,FHHAIBNBACISDZ-UHFFFAOYSA-N
-rxn:2:75885:154947,CCc1nn(C2CC2)c(NC(CN2CCC(N(C)C)CC2)c2c[nH]c3ccccc23)c1C1CCC1,SSUQITJBGBFFOK-UHFFFAOYSA-N
-rxn:2:76532:120681,CCC(NCCCN1CCC2(CC1)CC(OC)CCO2)c1cccc2cccnc12,UDJJBSCUGQDNDQ-UHFFFAOYSA-N
-rxn:2:76532:143099,CCC(NCCCN1CCC2(CC1)CC(OC)CCO2)c1cnc(N2CCc3ccccc3C2)cc1C,ZQZVUOLRRCEUEB-UHFFFAOYSA-N
-rxn:2:76532:145738,CCC(NCCCN1CCC2(CC1)CC(OC)CCO2)c1cnc(N2CCc3ccccc32)cc1C,QPYOELHVMIGNAZ-UHFFFAOYSA-N
-rxn:2:76532:147107,COC1CCOC2(CCN(CCCNC(CSc3nc4[nH]ncc4c(=O)[nH]3)c3ccccc3)CC2)C1,USJBFVSHMYJMRB-UHFFFAOYSA-N
-rxn:2:76532:159834,COC1CCOC2(CCN(CCCNC(c3ccc4ccccc4n3)C3CCC3)CC2)C1,OMXKOOIYAKSSCO-UHFFFAOYSA-N
-rxn:2:76532:161883,CCC(NCCCN1CCC2(CC1)CC(OC)CCO2)c1cccc(-c2ccc3c(c2)ncn3C)c1,MIFVEHXOLFPATP-UHFFFAOYSA-N
-rxn:2:76532:162170,COC1CCOC2(CCN(CCCNC3CC(C)(C)Cc4nc5ccccc5cc43)CC2)C1,JMHKYSFVXCCNRI-UHFFFAOYSA-N
-rxn:2:76532:165797,COC1CCOC2(CCN(CCCNC(Cc3nc4ccccc4o3)c3occc3C)CC2)C1,XNACCAAWGNPGCW-UHFFFAOYSA-N
-rxn:2:76532:169230,CCC(NCCCN1CCC2(CC1)CC(OC)CCO2)c1cnc(N2CCCc3ccccc32)cc1C,HHGOEGSGZALZLJ-UHFFFAOYSA-N
-rxn:2:76532:169689,COC1CCOC2(CCN(CCCNC(c3ccc(C)c(C)c3)c3cnc4ccccc4c3)CC2)C1,CUKFNIPXHZMIMK-UHFFFAOYSA-N
-rxn:2:76532:170210,COC1CCOC2(CCN(CCCNC(c3cc(C)cc(C)c3)c3cnc4ccccc4c3)CC2)C1,VBYGVJPIXIBHEY-UHFFFAOYSA-N
-rxn:2:76532:170273,CCC(NCCCN1CCC2(CC1)CC(OC)CCO2)c1cccc(-c2ccc(N3CCCCC3)nc2)c1,IWQHAFBVGDZMAA-UHFFFAOYSA-N
-rxn:2:76532:170932,COC1CCOC2(CCN(CCCNC(C)c3cccnc3-c3cc(-c4ccccc4)sc3C)CC2)C1,VMJUCDYEDWDOCE-UHFFFAOYSA-N
-rxn:2:76792:154947,CC(C)C1CC(C(NC(CN2CCC(N(C)C)CC2)c2c[nH]c3ccccc23)c2ccnn2C)C1,IHDWLACOJWYLIW-UHFFFAOYSA-N
-rxn:2:77307:135747,CC(CCCN1C(C)CCCC1C)Nc1ccc(OCC2CC(F)C2)nc1,PKCHQEMOZVLTPO-UHFFFAOYSA-N
-rxn:2:77665:104106,CC(=O)c1cncc(C2CC2CSC(C)NOCCN2CCSCC2)c1,AEVZGDBXIWFVIL-UHFFFAOYSA-N
-rxn:2:78546:126600,Cc1ccc(C(C)NCc2nn(C34CC5CC(CC(C5)C3)C4)c(=O)[nH]2)c(OS(=O)(=O)F)c1,WDEKNKKFSTYIAG-UHFFFAOYSA-N
-rxn:2:78645:142451,CC(=O)c1cncc(C2C(CCSC(C)NC3(c4nnc(C)n4C)CCC(C)CC3)C2(F)F)c1,ROPVIVDNVZORKQ-UHFFFAOYSA-N
-rxn:2:78859:145705,CC(C)CN1C(C)CN(C)CC1CCNC(c1ccc(-c2cnc3[nH]c(=O)[nH]c3c2)cc1)C(C)C,APVBELQOCYALNI-UHFFFAOYSA-N
-rxn:2:78984:143480,CCCC(C(NC1(C(c2ccc3oc(=O)[nH]c3c2)N(C)C)CC1)c1cccc(C)c1)N1CCCC1,NYOXUSKETUWFDT-UHFFFAOYSA-N
-rxn:2:79124:117066,CC(NCC1(S(=O)(=O)C2CCCC2)COC1)c1ccc(OS(=O)(=O)[O-])cc1,LWCJXSOSSLUXHL-UHFFFAOYSA-M
-rxn:2:79565:71398,CCC(Nc1ccc(OCC2CC2)cc1N1CCCCC1)c1cnc(N2CCCCC2)c(C)c1,WFNZEVIUCSUVIN-UHFFFAOYSA-N
-rxn:2:79869:122434,CC(CCN1CCC(N2CCCCC2)CC1)Nc1ncccc1OCC1CC(F)C1,HRNBWHZUVMOTAY-UHFFFAOYSA-N
-rxn:2:80895:156074,CCC(C)N1C(CCNC(C)c2c(-c3cccc4ccccc34)cn[nH]c2=O)CN(C)CCC1(C)C,IGUKODDCLBMMGX-UHFFFAOYSA-N
-rxn:2:80895:164078,CCC(C)N1C(CCNC(C)c2ccc(-c3ccccn3)[nH]c2=O)CN(C)CCC1(C)C,ONKNOVJORFQMFA-UHFFFAOYSA-N
-rxn:2:81598:142505,CC(=O)c1ccc(C2C(CCSC(C)Nc3cn(CC(C)C)c(=O)[nH]c3=O)C2(F)F)nc1,RPZIHTBKIWLYQH-UHFFFAOYSA-N
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-rxn:2:81735:165461,CCCC(NC1CC(C(C2CCN(C)C2)N(C)C)C1)c1ccc(-c2cc(=O)n(C)c(=O)[nH]2)cc1,XJDHMFUHQHKOHN-UHFFFAOYSA-N
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-rxn:2:97191:114498,CCC(CN1CCC(N(C)C)CC1)Nc1ccc(C)nc1OCC(C)C,YKCOLPYYXIUMAT-UHFFFAOYSA-N
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-rxn:2:98023:109800,CCC(C(Nc1cnc(OC2CCN(C)CC2)c(C)c1)c1ccccc1)N1CCCOCC1,FSOBWAAQMOXADF-UHFFFAOYSA-N
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-rxn:2:98744:150671,CCCC1(CN(C)C)CCC(NC(CC(C)C)c2nc3cnccc3c(=O)[nH]2)CC1,RNLWABOUUYCCGV-UHFFFAOYSA-N
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-rxn:2:98768:126889,CCC(Nc1ccc(OCCN2CCCC2)nc1)C1CCCN1C(C)C1CC1,YJJHIODEVCTBLN-UHFFFAOYSA-N
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-rxn:2:99189:130197,CCC(Nc1ccccc1OCC1CCN(C)CC1)c1ccc(N2CCN(C)CC2)nc1C,WJNNJOWAWRRBLK-UHFFFAOYSA-N
-rxn:2:99189:74339,CCCC(Nc1ccccc1OCC1CCN(C)CC1)C1CCCN1C1CCCC1,QPRPQMAOVNTUIO-UHFFFAOYSA-N
-rxn:2:99502:129758,CN1C2CCC1CC(CNC1CC(CS(=O)(=O)c3ccccc3)C1)(N(C)C1CC1)C2,HKFQMNXIWMTWID-UHFFFAOYSA-N
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-rxn:2:99521:150362,CC(NCC12CC(S(C)(=O)=O)(CO1)C2)c1ccccc1-c1ccc(OC2CCOCC2)nc1,UARYGNZFZGJKPV-UHFFFAOYSA-N
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-rxn:3:1022:62653:129417,CCN(C)CCc1cn(CC2CC(=O)N(C(C(=O)NC3C4CCCC(F)(F)C43)C(C)C)C2)nn1,VHNKCLBXUQISCJ-UHFFFAOYSA-N
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-rxn:3:14351:62781:92547,N#CC12CC(c3cn(CC4CC(=O)N(C(C(=O)Nc5ccc(OS(=O)(=O)F)cc5)C5CC5)C4)nn3)(C1)C2,GQQHGFYADWICTA-UHFFFAOYSA-N
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-rxn:3:62829:38813:92932,COc1ccc(OC)c(NC(=O)[C@H](C2CCCCC2)N2CC(Cn3cc(-c4cnc(C(F)(F)F)nc4)nn3)CC2=O)c1,GQTIEDOSEOCNHF-HHPDBAQJSA-N
-rxn:3:63255:6402:139373,COc1ccc(C(=O)Nc2cc(S(=O)(=O)F)ccc2OC)c(N2CC(Cn3cc(-c4cnc(N5CCCCCC5)nc4)nn3)CC2=O)c1,AWLFKDIAPDWPNR-UHFFFAOYSA-N
-rxn:3:64709:31724:106555,CN1CCN(c2ccc(-c3cn(CC4CC(=O)N(c5ccc(C(=O)Nc6ccc(CCS(C)(=O)=O)cc6)nc5)C4)nn3)cc2)CC1,JZCLRSBNANPMHG-UHFFFAOYSA-N
-rxn:3:65149:32383:78650,CCC(C)(C)C(NC(=O)c1cncc(N2CC(Cn3cc(-c4cnc(C)cc4F)nn3)CC2=O)c1)c1ccc(OC)c(C)c1,DEYHTSXNIONBPQ-UHFFFAOYSA-N
-rxn:3:65492:55:81416,COc1cc(NC(=O)c2ccc3nc(N4CC(Cn5cc(-c6ncc(C(F)(F)F)cn6)nn5)CC4=O)sc3c2)ccc1OCC1CCCCC1,RNMOUFQWQJVSMZ-UHFFFAOYSA-N
-rxn:3:8620:49937:111027,CSCC1CC(NC(=O)c2[nH]ncc2C2C(Cn3cc(C4(N(C)C)CCC(F)(F)CC4)nn3)C2(F)F)C1,SYOYWPJNXMUQNP-UHFFFAOYSA-N
-rxn:3:8620:49937:119359,CCC(NC(=O)c1[nH]ncc1C1C(Cn2cc(C3(N(C)C)CCC(F)(F)CC3)nn2)C1(F)F)C1CC1,UATIDYWYDJENKV-UHFFFAOYSA-N
-rxn:3:8620:49937:120693,COCC1CCC(NC(=O)c2[nH]ncc2C2C(Cn3cc(C4(N(C)C)CCC(F)(F)CC4)nn3)C2(F)F)C1,ZDPMGQPETWOUNF-UHFFFAOYSA-N
-rxn:3:8620:49937:127923,COC[C@H]1C[C@@H](NC(=O)c2[nH]ncc2C2C(Cn3cc(C4(N(C)C)CCC(F)(F)CC4)nn3)C2(F)F)C1,DFHVLILKDQHWFD-DKEAGERHSA-N
-rxn:3:8620:49937:128506,CCC(NC(=O)c1[nH]ncc1C1C(Cn2cc(C3(N(C)C)CCC(F)(F)CC3)nn2)C1(F)F)C1CCC1,MUOGZJGYSCJLQU-UHFFFAOYSA-N
-rxn:3:8620:49937:133752,COC[C@@H](NC(=O)c1[nH]ncc1C1C(Cn2cc(C3(N(C)C)CCC(F)(F)CC3)nn2)C1(F)F)C1CC1,DVPGSOAYWKIIMW-TVRKMHQQSA-N
-rxn:3:8620:49937:138372,COC[C@H](NC(=O)c1[nH]ncc1C1C(Cn2cc(C3(N(C)C)CCC(F)(F)CC3)nn2)C1(F)F)C1CC1,DVPGSOAYWKIIMW-HFCFLWKCSA-N
-rxn:3:8620:49937:76959,CCCC(NC(=O)c1[nH]ncc1C1C(Cn2cc(C3(N(C)C)CCC(F)(F)CC3)nn2)C1(F)F)C1CCC1,XAVJAKYGZRIFSE-UHFFFAOYSA-N
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-rxn:3:8620:49937:85578,CCCC(NC(=O)c1[nH]ncc1C1C(Cn2cc(C3(N(C)C)CCC(F)(F)CC3)nn2)C1(F)F)C1CC1,DCQMGUGDAYLIFE-UHFFFAOYSA-N
-rxn:3:8620:49937:92428,COCC1CC(NC(=O)c2[nH]ncc2C2C(Cn3cc(C4(N(C)C)CCC(F)(F)CC4)nn3)C2(F)F)C1,DFHVLILKDQHWFD-UHFFFAOYSA-N
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-rxn:2:100498:136625,CC(NC(c1nc2c([nH]1)CCCC2)C(C)C)c1cccc(OCCN2CCCCC2)c1,LIDLZHHQEPAYOO-UHFFFAOYSA-N
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-rxn:2:101404:159916,COc1ccc(C(NCCCS(=O)(=O)[O-])C23CN4CN(CN(C4)C2)C3)cc1,QSYWUVXBHIHTRD-UHFFFAOYSA-M
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-rxn:2:101537:150606,CCOc1cccc(N2CCC(NC(CCN3CCCCC3)c3ccc4[nH]c(C)nc4c3)CC2)n1,MLEZHWRPOWKFFB-UHFFFAOYSA-N
-rxn:2:101537:171582,CCCC(C(NC1CCN(c2cccc(OCC)n2)CC1)c1ccc2c(c1)CCCC2)N1CCCC1,FHXCBRTUPNZEPY-UHFFFAOYSA-N
-rxn:2:101761:145659,COc1ccc(C(C)Nc2ccc(OC(C)(C)C(C)C)nn2)cc1C#CCCSC(C)=O,CFXLMKFSTLQSJS-UHFFFAOYSA-N
-rxn:2:101825:166522,CC(C)CCC(NC(C)(C)C1(C2CCN(C)CC2)COC1)c1ccc2[nH]c(=O)[nH]c2c1,RPRKONKNDWDOLA-UHFFFAOYSA-N
-rxn:2:102226:169191,CCC(NOCCC1CCN(C2CCCCCC2)CC1)c1ccc(-c2cnc3[nH]ccc3c2)cc1C,LMUSFQJPUKJVCS-UHFFFAOYSA-N
-rxn:2:102226:169518,CCC(NOCCC1CCN(C2CCCCCC2)CC1)c1ccc(-c2ccc3ncsc3c2)cc1C,VWKBBDMGLSSWAE-UHFFFAOYSA-N
-rxn:2:102226:170557,CCC(NOCCC1CCN(C2CCCCCC2)CC1)c1ccc(-c2cccc3c2cnn3C)cc1C,ONJXUWYSJCWGPP-UHFFFAOYSA-N
-rxn:2:102226:171153,CCC(NOCCC1CCN(C2CCCCCC2)CC1)c1ccc(-c2cccc3cc[nH]c23)cc1C,OVOMTNHKHQBKHS-UHFFFAOYSA-N
-rxn:2:102484:103613,CCCC(N[C@H](c1ccc(N2CCCCC2)cc1)C1CC1)C1CCCN(CCC)C1,NTUVVBMPOCFKER-SDMRFKEVSA-N
-rxn:2:103580:74747,CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)[O-])C(NCC(F)(F)CN1CC3CC1CS3)C2,YSRHIYZHIZAHLW-XUHHOBLLSA-M
-rxn:2:103781:102573,CC(C)(C)[Si](C)(C)Oc1cccc2c1C(NC(c1noc(C3CCCC3)n1)C1CC1)CC2,AIEBTTLBYGNTHC-UHFFFAOYSA-N
-rxn:2:103934:150471,CC(N[C@H](c1ccc(O[Si](C)(C)C)cc1)C1CCC1)Oc1ccc(-c2cnn(C3CCC(=O)CC3)c2)cc1,REVRLVYIAYASJD-NMBPHSMGSA-N
-rxn:2:104469:130887,CCc1ccc(C(CCN2CCOCC2)Nc2ccnc(N3CCC(OC)CC3)n2)cc1,DEKRTIHOTUDYQC-UHFFFAOYSA-N
-rxn:2:104835:154860,CCOCC1(CNC(CN2CCC(C)CC2)c2c[nH]c3ccccc23)CC2(CC2)C1,NSZLJNYXFIBAKF-UHFFFAOYSA-N
-rxn:2:105030:170914,CCOCc1cccc(-c2ccc3c(c2)C(NC(CC)C(c2ccncc2)N2CCC(C)CC2)CCC3)c1,OGYIKQJQGAFGCM-UHFFFAOYSA-N
-rxn:2:105030:171317,CCOCc1cccc(-c2ccc3c(c2)CCCC3NC(CC)C(c2ccncc2)N2CCC(C)CC2)c1,GWMSSHIUIZZSDH-UHFFFAOYSA-N
-rxn:2:105790:141610,CC(NCC(C)(C1C2CC3CC(C2)CC1C3)N(C)C)c1ccc(S(=O)(=O)[O-])cc1,SXDVJOMPZRIYRZ-UHFFFAOYSA-M
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-rxn:2:105941:133895,CC(C)(C)[Si](C)(C)OCC(Nc1c(C2CC2)c(C2CCC2)nn1C1CCC1)c1ccccn1,GVWORBWANHHQAP-UHFFFAOYSA-N
-rxn:2:105990:130197,CCC(Nc1ccc(CCN2CCN(C)CC2)c(OC)c1)c1ccc(N2CCN(C)CC2)nc1C,QVWFFMXBSHXNTO-UHFFFAOYSA-N
-rxn:2:105990:169230,CCC(Nc1ccc(CCN2CCN(C)CC2)c(OC)c1)c1cnc(N2CCCc3ccccc32)cc1C,NLCWDCMEQOJNCH-UHFFFAOYSA-N
-rxn:2:106844:118870,CC(=O)c1ccc(C2C(CSC(C)NC3(c4nnc(C)n4C)CCCC3)C2(F)F)s1,NEFDYXDQRPDRPQ-UHFFFAOYSA-N
-rxn:2:106844:144237,CC(=O)c1cncc(C2C(CSC(C)NC3(c4nnc(C)n4C)CCCC3)C2(F)F)c1,WOLBYPXCFPVMGM-UHFFFAOYSA-N
-rxn:2:106844:156343,CC(=O)c1ccc(C2C(CCSC(C)NC3(c4nnc(C)n4C)CCCC3)C2(F)F)cn1,HZTBYMYEDXPSOE-UHFFFAOYSA-N
-rxn:2:106853:77223,CCOc1ccc(C)cc1C(CN1CCC(C)CC1)Nc1cccnc1N1CCC(COC)CC1,JGVIQSOWVOIUJI-UHFFFAOYSA-N
-rxn:2:106941:118088,CCCC1(c2nc(=O)nc(NC(C)SCC3C(c4ccsc4C(C)=O)C3(F)F)[nH]2)CC1,IQOGCSLKUKEDLQ-UHFFFAOYSA-N
-rxn:2:106941:145659,CCCC1(c2nc(=O)nc(NC(C)c3ccc(OC)c(C#CCCSC(C)=O)c3)[nH]2)CC1,FFAFSXIRCRIPBR-UHFFFAOYSA-N
-rxn:2:106941:66006,CCCC1(c2nc(=O)nc(NC(C)c3cc(C(F)(F)C(=N)SCC(C)C)cs3)[nH]2)CC1,DNSNPUOAGXOFJQ-UHFFFAOYSA-N
-rxn:2:107293:147749,CCCC1CCN(c2c[nH]nc2NC(CN2CCCCC2)c2c(OCC)ccc3ccccc23)CC1,RBBNZDVAXTYRPV-UHFFFAOYSA-N
-rxn:2:107293:69720,CCCC1CCN(c2c[nH]nc2NC(C)c2ccc(CN3CCOCC3)c(OC)c2)CC1,WAUCSSZDEYXIOT-UHFFFAOYSA-N
-rxn:2:107422:147728,CC(=O)c1ccc(C2C(CSC(C)Nc3nc(C)[nH]c3N3CCCC3CN(C)C)C2(F)F)cn1,MQDJTTIIMLYYPD-UHFFFAOYSA-N
-rxn:2:107617:159007,CCOCc1cccc(-c2ccc(C(C)NC3(c4n[nH]c(C5CC5)n4)CCC(CC)CC3)c3c2OCO3)c1,DSCSXGDACXDNPT-UHFFFAOYSA-N
-rxn:2:108735:124548,CCN1CC2CC(Nc3c(-c4nnn[nH]4)ccc(OC)c3OC)CC(CSC(C)=O)(C1)C2(F)F,HFUACBMTLRLWRL-UHFFFAOYSA-N
-rxn:2:108743:171582,CCCC(C(Nc1ncccc1OCC1CC(C)C1)c1ccc2c(c1)CCCC2)N1CCCC1,IJUVSCZQRWVOFK-UHFFFAOYSA-N
-rxn:2:108912:144270,CC(=O)c1cccc(C2C(CSC(C)NCC(C)(C)N(C)c3n[nH]c(=O)[nH]c3=O)C2(F)F)n1,LEDRTZQRCYFGJY-UHFFFAOYSA-N
-rxn:2:109704:126600,Cc1ccc(C(C)NCCN2CCCC(N(C)C)C2)c(OS(=O)(=O)F)c1,SCEXPRKSXGGZMN-UHFFFAOYSA-N
-rxn:2:110637:126600,Cc1ccc(C(C)NCCN2CCCS(=O)(=O)CC2)c(OS(=O)(=O)F)c1,PXZQZZATUPIJKB-UHFFFAOYSA-N
-rxn:2:111016:141891,Cc1cc(NC(c2ccc(C)c(C(C)(C)C)c2)C2CCCCC2)ccc1OC1CCCCC1,WPTYFYQKAGDJCL-UHFFFAOYSA-N
-rxn:2:111016:91754,COc1c(C(Nc2ccc(OC3CCCCC3)c(C)c2)C2CC2)cc(C)cc1C(C)(C)C,KEVMUAHNHKPHMY-UHFFFAOYSA-N
-rxn:2:111610:144237,CC(=O)c1cncc(C2C(CSC(C)NC3(COS(=O)(=O)[O-])CCCC3)C2(F)F)c1,UZLQWBDBAQYUJJ-UHFFFAOYSA-M
-rxn:2:111916:157153,COCCn1nc(C)c(-c2cccnc2C(C)NCC2(Cc3ccc4c(c3)OCO4)CCN(C)C2)c1C,UALZWYSLOSUWKM-UHFFFAOYSA-N
-rxn:2:111960:126170,CCCC(C(Nc1ccc(OCC)cc1N1CCCCC1)c1ccc2c(c1)CCC2)N1CCCC1,ORXZCAYTIVWJQY-UHFFFAOYSA-N
-rxn:2:112001:98451,COc1cccc(OC(C)NCC(c2cccnc2)N2CCC(OC)CC2)c1C(=O)C(C)(C)C,LDJTZLPMIRXLQW-UHFFFAOYSA-N
-rxn:2:112677:123413,CCS(=O)(=O)C(CNCCC#Cc1ccc(S(=O)(=O)F)cc1)C1CCCC1,WWWMYLQBEMHEJZ-UHFFFAOYSA-N
-rxn:2:112693:74747,CC1(C)CC(CNC2C[C@H]3CC[C@]2(CS(=O)(=O)[O-])C3(C)C)CC(C)(C)C1,ONVBTCCMRYNLKW-RZSJKOKISA-M
-rxn:2:113065:171107,CCC(NC1(CCOc2ccc(C)cc2)CCN(C)CC1)c1ccc(N2CCCc3ccccc32)nc1C,BZQGRJXNHIKZDI-UHFFFAOYSA-N
-rxn:2:113756:91223,Cc1cccc(CCC(N[C@@H](c2ccc(C(C)(C)C)cc2)C2CCCC2)C2CCCCC2)c1C,HPWIMLOULDLAOU-IADGFXSZSA-N
-rxn:2:114014:126600,Cc1ccc(C(C)NC2C3CCC2CN(C2CC2)C3)c(OS(=O)(=O)F)c1,JVLRWLDDNHSLKA-UHFFFAOYSA-N
-rxn:2:114076:83490,CCCC(C(Nc1cnccc1N1CCC(OCC)CC1)c1ccc2c(c1)CCO2)N1CCCC1,IOUXZFCXKLHICO-UHFFFAOYSA-N
-rxn:2:114095:72240,CCCCCCC#CC(NC1(c2nnc(C)n2C)CCC(CC)CC1)c1ccc(C)cc1,VSIRMBOXBFQLEN-UHFFFAOYSA-N
-rxn:2:114156:140271,CCC(Nc1cccnc1OCCC(C)C)C1CCCN(CC(C)C)C1,QPVWLABQIJXZAS-UHFFFAOYSA-N
-rxn:2:114270:126889,CCC(Nc1ccc(OCCN2CCCC2)nc1)C1CCN(CC(C)C)CC1,QQMIKLZDMAPRHG-UHFFFAOYSA-N
-rxn:2:114951:171153,CCC(NCCCN1CCCC2(CC(OC)CCO2)C1)c1ccc(-c2cccc3cc[nH]c23)cc1C,QXFGPOBLJJKUJP-UHFFFAOYSA-N
-rxn:2:115446:160706,CCOC1CN(c2ccc(NC(CCN3CCOCC3)c3ccc4[nH]c(C)nc4c3)cn2)CC1OC,NMWRMVDCWDHOKF-UHFFFAOYSA-N
-rxn:2:115637:151898,CCCC1CCN(c2ccc(NC(C)c3ccnc(-c4ccccc4CN4CCOCC4)c3)c(OC)n2)CC1,DBDSQOQATVLHKP-UHFFFAOYSA-N
-rxn:2:115952:149297,CCC(C)n1c(-c2ccccc2OC)ccc(C(C)Nc2ccc(N3CCC(C)(COC)CC3)nc2)c1=O,BCXFEUPUEGJTHJ-UHFFFAOYSA-N
-rxn:2:116821:79757,CCOc1ccc(C(C)Nc2cnc(OCC3CCN(C)CC3)nc2)cc1CN1CCCC1,XSELZOLRHBJPOP-UHFFFAOYSA-N
-rxn:2:117066:112703,CCOC1(CNC(C)c2ccc(OS(=O)(=O)[O-])cc2)CCS(=O)(=O)CC1,GFPBVAGFYKCUGF-UHFFFAOYSA-M
-rxn:2:117066:122285,CCS(=O)(=O)CC1(CNC(C)c2ccc(OS(=O)(=O)[O-])cc2)CCCC1,IOVYOAUGOQWKKC-UHFFFAOYSA-M
-rxn:2:117066:130939,COCCN1CCC(F)(CNC(C)c2ccc(OS(=O)(=O)[O-])cc2)CC1,IXBRBMVXSDDHOA-UHFFFAOYSA-M
-rxn:2:117225:140271,CCC(Nc1ccc(OCCN2CCOCC2)nc1)C1CCCN(CC(C)C)C1,RMCIAVUOEFALLE-UHFFFAOYSA-N
-rxn:2:117344:134221,CCC(Nc1ccc2c(c1)CN(CCN1CCOCC1)C2)c1cnc(N2CCN(C)CC2)cc1C,SQPJNTSHYOLUSN-UHFFFAOYSA-N
-rxn:2:117752:120891,CCOCC1(c2ccc(NC(CN3CCC(CC)CC3)c3cc(C)[nH]c3C)cc2)CC1,YPEMZRQSEZDELC-UHFFFAOYSA-N
-rxn:2:117825:112215,CCOCC1CCCN(c2ncccc2NC(c2ccc3c(c2)CCC3)C(CC)N2CCCC2)C1,WDTTZDDYPWSANF-UHFFFAOYSA-N
-rxn:2:117825:131199,CCOCC1CCCN(c2ncccc2NC(C)CCCN2CC(C)CC(C)C2)C1,HRHBPGDJSUBBDJ-UHFFFAOYSA-N
-rxn:2:117835:140087,CCC1(CC)OC(CC)(CC)C1Nc1cn(CC(C)OC)c(=O)[nH]c1=O,ASNCCSKDICNIFP-UHFFFAOYSA-N
-rxn:2:118870:131467,CC(=O)c1ccc(C2C(CSC(C)Nc3n[nH]cc3N(C)C3CCCN(C)C3)C2(F)F)s1,BPNQPFATTQTOKK-UHFFFAOYSA-N
-rxn:2:118921:72278,CCc1cc(NC(CCC2CCCCC2)c2ccc3c(c2)CCC3)ccc1OCC1CC1,WWYJDPFRQXWNRY-UHFFFAOYSA-N
-rxn:2:119273:120312,COCC(ONC(C)CC(C)(C)OC)C1C2CC3CC(C2)CC1C3,BPYCQIKEYYLORM-UHFFFAOYSA-N
-rxn:2:120020:126170,CCCC(C(Nc1cc(OC(C)C2CCC2)ccn1)c1ccc2c(c1)CCC2)N1CCCC1,IBCNWYZZKZZGFB-UHFFFAOYSA-N
-rxn:2:120040:82688,CCc1cc(C(CC2=NCCO2)NC2CCN(C(c3cccs3)C(C)C)CC2)ccc1OC,DQPCKUBXMGYLMU-UHFFFAOYSA-N
-rxn:2:120678:152761,CC(=O)c1cccc(C2C(CCSC(C)Nc3snnc3CN3CCN(C)CC3)C2(F)F)n1,KDRBMELSKBQQAV-UHFFFAOYSA-N
-rxn:2:121039:173214,CCC(N[C@H]1CC[C@H](C(C)(C)OC)CC1)c1ccc(-c2ccc(OC3CC3)cc2)cc1C,FVRLRAVZLUETEH-AVTAQKSFSA-N
-rxn:2:121529:126600,Cc1ccc(C(C)NC2CC3CCC(C2)N3C2CC2)c(OS(=O)(=O)F)c1,QXOLMPHIJCMQQX-UHFFFAOYSA-N
-rxn:2:121665:133895,CC(C)(C)[Si](C)(C)OCC(Nc1c(C2CC2)c(C2CC2)nn1C1CCC1)c1ccccn1,OOCLLKYMTLEYMV-UHFFFAOYSA-N
-rxn:2:122564:146538,CCOC1(CNC(c2ccc(OC)cc2)c2c[nH]c(C(=O)N=CN(C)C)c2)CC(C)(C)C1,HQPJGBLSUDDMKV-UHFFFAOYSA-N
-rxn:2:122564:150884,CCOC1(CNC(c2ccc(OC)cc2)c2c[nH]c(C(=O)/N=C/N(C)C)c2)CC(C)(C)C1,HQPJGBLSUDDMKV-OGLMXYFKSA-N
-rxn:2:122821:171582,CCCC(C(Nc1cccc2[nH]nc(OCC(C)C)c12)c1ccc2c(c1)CCCC2)N1CCCC1,GWIOUGYMQXBAOB-UHFFFAOYSA-N
-rxn:2:123036:160706,CCOc1nc(N2CCC(C)(C)CC2)ccc1NC(CCN1CCOCC1)c1ccc2[nH]c(C)nc2c1,DWJWDFLUBIJGNO-UHFFFAOYSA-N
-rxn:2:123105:109800,CCC(C(Nc1c(OC)ccc(OC)c1N1CCOCC1)c1ccccc1)N1CCCOCC1,NJVZCXHMDBUDJH-UHFFFAOYSA-N
-rxn:2:123908:87885,CCN(C)CC(NC1C[C@H]2CC[C@]1(CS(=O)(=O)OC)C2(C)C)c1ccc2c(c1)OCO2,UQLYDRWHZPTSKT-ZDUSXTBUSA-N
-rxn:2:124632:148214,COCCn1nc(C)c(-c2ccc3c(c2)CCC(NC2CCN(c4ccc(C)cc4C)CC2(C)C)C3)c1C,NWIUIXWDPKXZPE-UHFFFAOYSA-N
-rxn:2:125145:139138,CC1(C)C2CCC1(CS(=O)(=O)[O-])C(NC(=[Se])C1CC1)C2,HQGXFQQSKSYXFY-UHFFFAOYSA-M
-rxn:2:125722:127230,CCc1ccc(N2CCC(OC)CC2)c(NC(c2csc(N3CCOCC3)n2)C(C)C)c1,XOOBXECABXYRHG-UHFFFAOYSA-N
-rxn:2:125722:155230,CCc1ccc(N2CCC(OC)CC2)c(NC(CN2CC(C)CC(C)C2)c2ccc3[nH]c(C)nc3c2)c1,BIINPSTXUUKLMW-UHFFFAOYSA-N
-rxn:2:125722:77041,CCc1ccc(N2CCC(OC)CC2)c(NC(C)c2sc(C(C)N3CCOCC3)nc2C)c1,SIWZJKDQGFNAPY-UHFFFAOYSA-N
-rxn:2:126159:123308,C=C=Cc1ccc(C(NCC2(OC)CCCC(C)(C)CC2)C(C)C2CC2)cc1,FARXWJUXQDRAHI-UHFFFAOYSA-N
-rxn:2:126170:132829,CCCC(C(Nc1ccc(N2CCC(C)CC2)nc1OCC)c1ccc2c(c1)CCC2)N1CCCC1,DKNPDRFOUCCEMP-UHFFFAOYSA-N
-rxn:2:126432:129091,CCCC(Nc1cccc2c(OCC(C)C)n[nH]c12)C1CCCN(CC(C)C)C1,MXKZCOGJLMIFSR-UHFFFAOYSA-N
-rxn:2:126889:114270,CCC(Nc1ccc(OCCN2CCCC2)nc1)C1CCN(CC(C)C)CC1,QQMIKLZDMAPRHG-UHFFFAOYSA-N
-rxn:2:127807:170909,CCCC(NCC1(N2CCCCC2CC)CCCCCC1)c1ccc(-c2ccc3c(cnn3C)c2)cc1,NFUXEJVPWNLHMK-UHFFFAOYSA-N
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-rxn:2:129233:172816,CCC(NC1(COC)CC2(CCC(F)(F)CC2)C1)c1ccc(-c2ccc3[nH]ncc3c2C)cc1C,QYKLCFBJWZOMCI-UHFFFAOYSA-N
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-rxn:2:129411:147508,CCCN1CCC(Oc2ncc(NC(C)c3ccc(OC)c(-c4cnn(C5CCCC5)c4)c3)cn2)CC1,UJNOCTKPOYJGAG-UHFFFAOYSA-N
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-rxn:2:129900:130131,CCC(Nc1cncnc1OC1CCN(C)CC1)c1ccc2c(c1)N(CC)CC(C(C)C)O2,WRPHAOIHLZMDCB-UHFFFAOYSA-N
-rxn:2:130033:141775,CCC(Nc1ccc(OCCN2CCOCC2)cn1)c1ccc(N2CCN(C(C)C)CC2)nc1C,WBMUQUZSZIBXNC-UHFFFAOYSA-N
-rxn:2:130089:159916,COc1ccc(C(NCCS(=O)(=O)[O-])C23CN4CN(CN(C4)C2)C3)cc1,MKNNMCWLABLAEE-UHFFFAOYSA-M
-rxn:2:130939:148167,COCCN1CCC(F)(CNC(CSc2nnc(C)s2)c2ccc3c(c2)OCO3)CC1,ZYTNFBNIWQROHN-UHFFFAOYSA-N
-rxn:2:131357:147466,COc1c(-c2ccn(C3COC3)n2)cccc1C(C)Nc1ccc(C2CCN(C)CC2)nc1OC(C)C,PNWYEHNZSPXKSN-UHFFFAOYSA-N
-rxn:2:131357:170234,CCCC(C(Nc1ccc(C2CCN(C)CC2)nc1OC(C)C)c1cccc2ccccc12)N1CCCC1,XEEGUTJJNBUNJU-UHFFFAOYSA-N
-rxn:2:131357:79675,CCCC(Nc1ccc(C2CCN(C)CC2)nc1OC(C)C)C1CCN(Cc2ccccc2)CC1,DZZCQTDEWRJJDM-UHFFFAOYSA-N
-rxn:2:132198:166079,CC(Nc1ccncc1N1CCOCC1)c1ccccc1OC1CS(=O)(=O)CC1N(C)C,XTALPVKVLBXYEP-UHFFFAOYSA-N
-rxn:2:132206:98195,CC(C)CCCC(C)N1CCC(Nc2cccnc2OC2CCN(C)CC2)CC1C,TUZNYRCPJQBQPZ-UHFFFAOYSA-N
-rxn:2:132829:125092,CCOc1nc(N2CCC(C)CC2)ccc1NC(C)CC(c1ccccn1)N1CCN(C)CC1,PTTXBCFAWDYGJM-UHFFFAOYSA-N
-rxn:2:132829:171582,CCCC(C(Nc1ccc(N2CCC(C)CC2)nc1OCC)c1ccc2c(c1)CCCC2)N1CCCC1,TWEJSBAUPMFASM-UHFFFAOYSA-N
-rxn:2:133152:159432,COc1cccc(OC(C)Nc2c(C)cnn2C(C)C2CC2(F)F)c1C(=O)C1(C)CC1,GLMLDEDEKOUKPV-UHFFFAOYSA-N
-rxn:2:133895:132608,CC(C)(C)[Si](C)(C)OCC(Nc1c(C2CCC2)c(C2CC2)nn1C1CCC1)c1ccccn1,NGXLFCILNCDUGH-UHFFFAOYSA-N
-rxn:2:134146:101165,CCC[C@H]1CC[C@H](c2ccc(C(C)NCC(C)(C)CCOC)cc2)CC1,WMZJIXAUNRMAOC-RVZUZXSLSA-N
-rxn:2:134241:149145,CCCC1CCN(c2[nH]c(C)nc2NC(CCN2CCCCC2)c2ccc(OC)c3ccccc23)CC1,VDSHIBHDTLAXPN-UHFFFAOYSA-N
-rxn:2:134241:168975,CCCC1CCN(c2[nH]c(C)nc2NC(c2cccc(CN3CCCC3)c2)c2c(C)cccc2C)CC1,AXYRDFYTQNPZCF-UHFFFAOYSA-N
-rxn:2:134241:77223,CCCC1CCN(c2[nH]c(C)nc2NC(CN2CCC(C)CC2)c2cc(C)ccc2OCC)CC1,RLBCFUVQJDEVKL-UHFFFAOYSA-N
-rxn:2:134302:164636,CCOCC1CCN(c2ncccc2NC(CCN2CCCC(C)C2)c2ccc3[nH]c(C)nc3c2)C1,JZOPNQHVNIVNLB-UHFFFAOYSA-N
-rxn:2:134302:90509,CCOCC1CCN(c2ncccc2NC(C)CCc2nc(C)cc(C3CCN(C)CC3)n2)C1,ZRHMMZJMOUBFNW-UHFFFAOYSA-N
-rxn:2:134366:170127,CCN1CCC(CNC(C)c2ccc(OC)c(-c3cc(C)cc4cccnc34)c2)(N2CCC(C)C2)CC1,QIEHSJHATAFXPM-UHFFFAOYSA-N
-rxn:2:134366:172750,CCN1CCC(CNC(C)c2c[nH]c3ccc(-c4cc(C)ccc4OC)cc23)(N2CCC(C)C2)CC1,BLHNIAPLGIZKEB-UHFFFAOYSA-N
-rxn:2:135433:82688,CCc1cc(C(CC2=NCCO2)Nc2ccc(N3CCN(C(C)C)CC3)c(C)n2)ccc1OC,JJJCJYPWCJKETI-UHFFFAOYSA-N
-rxn:2:136038:72383,CCOC1CCN(c2nc(C)ccc2CNC(c2cnc(C3CC3)nc2OC)C(C)C)CC1,SYZSQXMAMJAFDE-UHFFFAOYSA-N
-rxn:2:136038:95397,CCOC1CCN(c2nc(C)ccc2CNC(CN2CCN(C)CC2)c2ccccc2OC)CC1,QJIFYZYXIZDCMX-UHFFFAOYSA-N
-rxn:2:137584:171582,CCCC(C(Nc1cncnc1OCC(C)C)c1ccc2c(c1)CCCC2)N1CCCC1,NTAIRLYRRPVEPS-UHFFFAOYSA-N
-rxn:2:138759:152258,CCC(Nc1cnc(OCC2CCN(CC)CC2)nc1)c1cccc(-c2cnc(N3CCOCC3)nc2)c1,HSSWZJHVUVBRPR-UHFFFAOYSA-N
-rxn:2:139651:126170,CCCC(C(Nc1ccc(OCC)cc1N1CCCC1)c1ccc2c(c1)CCC2)N1CCCC1,GBSSTSDYXFCAMZ-UHFFFAOYSA-N
-rxn:2:139651:171582,CCCC(C(Nc1ccc(OCC)cc1N1CCCC1)c1ccc2c(c1)CCCC2)N1CCCC1,JYHXDWLRIQNXHI-UHFFFAOYSA-N
-rxn:2:139843:141775,CCC(Nc1nccnc1OCCN1CCCCC1)c1ccc(N2CCN(C(C)C)CC2)nc1C,DBDUNWZVCACSAO-UHFFFAOYSA-N
-rxn:2:139843:87087,CCC(Nc1nccnc1OCCN1CCCCC1)c1cnc(N2CCN(C(C)C)CC2)cc1C,GNKVTHBLLPKNGG-UHFFFAOYSA-N
-rxn:2:139891:161479,CC1CN(CCNC(C)CCC2(c3ccc4[nH]c(=O)[nH]c4c3)COC2)[Si](C)(C)C1,AARVIOCURWYWJR-UHFFFAOYSA-N
-rxn:2:139907:157029,CCOC1CCN(CC(C)(C)NC(c2ccc3c(c2)OCO3)c2c[nH]c3ccc(OC)cc23)CC1,PMOKTGCYOLZTTJ-UHFFFAOYSA-N
-rxn:2:139951:83314,CCCC(Nc1ccnnc1OCC(C)C)C1CCN(CC(C)C)CC1,FLUAZCUACWEROU-UHFFFAOYSA-N
-rxn:2:140012:160789,COCC(NCCCN1CCC2(CC(OC)CCO2)C1)c1ccc2[nH]c(C(C)C)nc2c1,IZPNKJRYJZWCFV-UHFFFAOYSA-N
-rxn:2:140012:171153,CCC(NCCCN1CCC2(CC(OC)CCO2)C1)c1ccc(-c2cccc3cc[nH]c23)cc1C,IISTVRLURAEGDZ-UHFFFAOYSA-N
-rxn:2:140012:172009,CCC(NCCCN1CCC2(CC(OC)CCO2)C1)c1ccc(-c2cc3ccccc3[nH]2)cc1C,SEPMPNVSSQCVCI-UHFFFAOYSA-N
-rxn:2:140087:87389,CCCCCC(Nc1cn(CC(C)OC)c(=O)[nH]c1=O)C1CCOC(C)(C)C1,UOUOXSAZANSZTD-UHFFFAOYSA-N
-rxn:2:140449:128555,CCCC(Nc1ccccc1OCCN1CCC(C)(C)CC1)C1CCN(c2cnccn2)CC1,GKHCQPFWXOTDHN-UHFFFAOYSA-N
-rxn:2:140492:119617,COCc1cc(N2CCC(NC3CC4CC(C)(C)CCN(Cc5ccccc5)C4C3)C2)nc(C2CC2)n1,YGGKGPUVXBRAKG-UHFFFAOYSA-N
-rxn:2:141350:130727,CCC(NC(c1ccc(OC)cc1OC)C(C)(C)C)c1cnc(SC2CCCCC2)c(C)c1,ZSIWKXZSIXVGBN-UHFFFAOYSA-N
-rxn:2:141402:143973,CS(=O)(=O)OCC(F)(F)CNC1CCN(C2=NS(=O)(=O)c3ccccc32)CC1,SUMMEJSZLOFDNU-UHFFFAOYSA-N
-rxn:2:141572:136559,CCC(NCCCc1noc(C2CCN(C)CC2)n1)c1ccc(N2CCCC(F)C2)cc1,LEWNMYLOEVQCHU-UHFFFAOYSA-N
-rxn:2:143569:144460,CCC(Nc1cn(Cc2nnc3n2CCCCC3)nc1C)c1cccc(C2C(CSC(C)=O)C2(F)F)c1,LZWZTEJWGBRTOX-UHFFFAOYSA-N
-rxn:2:144115:77438,CC(CCCO[Si](C)(C)C(C)(C)C)Nc1cc(C2CCC2)nc2cnc(C3CC3)n12,XNIOUKNTMPCDBL-UHFFFAOYSA-N
-rxn:2:144952:127911,COc1ccc(C(CCN2CCOCC2)NC2CCN(c3ncc4c(C(C)C)c[nH]c4n3)C2)c(C)c1C,VAMNQJUHAZKGTC-UHFFFAOYSA-N
-rxn:2:144952:85544,CCOc1ccc(C(C)NC2CCN(c3ncc4c(C(C)C)c[nH]c4n3)C2)cc1CN1CCOCC1,QAKCEUZPUGCXGX-UHFFFAOYSA-N
-rxn:2:145051:166079,CC(Nc1ccc(-n2cnc(N3CCOCC3)n2)cc1)c1ccccc1OC1CS(=O)(=O)CC1N(C)C,QUPKBRZVBLOFPJ-UHFFFAOYSA-N
-rxn:2:145251:130197,CCC(Nc1cc(C2CCN(C)CC2)nc2cnc(C)n12)c1ccc(N2CCN(C)CC2)nc1C,BWHJQWGDBOWYPT-UHFFFAOYSA-N
-rxn:2:147025:149130,CCc1nc2cc(C(CCN3CCCCC3)NCc3cn(C4CCCC4)c4ccc(OC)cc34)ccc2[nH]1,KBMCFWKRNAFRBQ-UHFFFAOYSA-N
-rxn:2:150610:100743,CCCC(Nc1cc(=O)[nH]n1C(C)c1ccc(OC)cc1C)C1CCN(CC(C)C)C1,VNQNTKVCFOZYIV-UHFFFAOYSA-N
-rxn:2:153845:149822,CCC(NC1(c2nc(-c3nncn3C(C)C)c[nH]2)CCC1)c1ccc(C2C(CSC(C)=O)C2(F)F)cc1,NUEMKDKTHYLAPT-UHFFFAOYSA-N
-rxn:2:156263:117752,CCC1CCN(CC(NCCCc2c(C)n(C)c3cc(OC)ccc23)c2cc(C)[nH]c2C)CC1,KJJBOZIDNTVJLO-UHFFFAOYSA-N
-rxn:2:161135:155396,CC(=O)c1ccc(C2C(CSC(C)Nc3cc(C4C5CC6CC(C5)CC4C6)n[nH]c3=O)C2(F)F)nc1,CCFIXLZPEVUBAI-UHFFFAOYSA-N
-rxn:2:161176:79723,CCC(NCC1(Cc2c[nH]c3c(C)cc(OC)cc23)CC1)c1ccc(N2CCN(CC)CC2)nc1C,TYMYJLCOUMWKIU-UHFFFAOYSA-N
-rxn:2:165509:152573,CCc1nc2cc(C(CN3CC(C)CC(C)C3)Nc3ccc4c(c3)c(OCC3CCCO3)nn4C)ccc2[nH]1,VDWJHXOFFXDZSF-UHFFFAOYSA-N
-rxn:2:166335:127911,COc1cnccc1-n1nc2c(c1NC(CCN1CCOCC1)c1ccc(OC)c(C)c1C)C1CC1C2,ZMAIMUNKRIDDTM-UHFFFAOYSA-N
-rxn:2:167515:73038,CCC(NCC1(c2cc3cc(C)cc(OC)c3[nH]2)CC1)c1cnc(N2CCN(CC)CC2)cc1C,BQAGKKKAWUXHKZ-UHFFFAOYSA-N
-rxn:2:168068:135343,COc1ccccc1-c1n[nH]c(=O)cc1CNC1CC2CCC1(CS(=O)(=O)OC)C2(C)C,RUDQCJUOGWWYPA-UHFFFAOYSA-N
-rxn:2:65937:83314,CCCC(Nc1ccc2c(OCC(C)C)n[nH]c2c1)C1CCN(CC(C)C)CC1,VHVXPQIEACFBTC-UHFFFAOYSA-N
-rxn:2:66678:137294,CCC(Nc1nccnc1OCCN1CCOCC1)c1ccc(N2CCC(F)CC2)cc1,GTGAEJWQGAGPKS-UHFFFAOYSA-N
-rxn:2:68020:149822,CCC(NC1(c2c(C)n[nH]c2C)CCN(C)CC1)c1ccc(C2C(CSC(C)=O)C2(F)F)cc1,MOUCERAGSNHNES-UHFFFAOYSA-N
-rxn:2:68813:117362,CCOS(=O)(=O)C[C@]12CCC(CC1NCC(N(C)OC)C13CC4CC(CC(C4)C1)C3)C2(C)C,LRNPECZZRQDDBF-BRRKORDTSA-N
-rxn:2:68813:169191,CCC(NCC(N(C)OC)C12CC3CC(CC(C3)C1)C2)c1ccc(-c2cnc3[nH]ccc3c2)cc1C,SNYBQWMPLPMDDC-UHFFFAOYSA-N
-rxn:2:68813:67412,CON(C)C(CNC1C[C@H]2CC[C@]1(CS(=O)(=O)F)C2(C)C)C12CC3CC(CC(C3)C1)C2,CAUSBCLDMZTNLO-QNHNRYQLSA-N
-rxn:2:68813:77846,CCOS(=O)(=O)CC12CCC(CC1NCC(N(C)OC)C13CC4CC(CC(C4)C1)C3)C2(C)C,LRNPECZZRQDDBF-UHFFFAOYSA-N
-rxn:2:68813:87885,CON(C)C(CNC1C[C@H]2CC[C@]1(CS(=O)(=O)OC)C2(C)C)C12CC3CC(CC(C3)C1)C2,ACSDQJPCPBHYIL-RTKWRDEVSA-N
-rxn:2:68813:91416,CON(C)C(CNC1CC2CCC1(CS(=O)(=O)F)C2(C)C)C12CC3CC(CC(C3)C1)C2,CAUSBCLDMZTNLO-UHFFFAOYSA-N
-rxn:2:68924:80091,CCS(=O)(=O)c1ccc(C(C)NCC(C)C23CC4CC(C2)CC(N(C)C)(C4)C3)cc1,XUSDUAFOZKRBCA-UHFFFAOYSA-N
-rxn:2:69356:71728,COCCC(C)N1CCc2c(cccc2NC(c2ccc(C3CCC3)cc2)C2(C)CC2)C1,FWJIJEKLKFNOKA-UHFFFAOYSA-N
-rxn:2:71140:172505,COC(CNC(c1ccc(-c2ccnc(OC(C)(C)C)c2)cc1)C1CC1)C1CC(C)(C)C1,AVMLABITIWUIOY-UHFFFAOYSA-N
-rxn:2:72120:136559,CCC(Nc1[nH]nc2c1CN(CCCN(C)C)CC2)c1ccc(N2CCCC(F)C2)cc1,ZCKXYJOZGWRUSI-UHFFFAOYSA-N
-rxn:2:72120:137294,CCC(Nc1[nH]nc2c1CN(CCCN(C)C)CC2)c1ccc(N2CCC(F)CC2)cc1,MIRNTXPHOOYHES-UHFFFAOYSA-N
-rxn:2:72348:139138,CC1(C)C2CCC1(CS(=O)(=O)[O-])C(NCC1CSCC1(F)F)C2,RNLJFJIQXFKZRD-UHFFFAOYSA-M
-rxn:2:73364:126600,Cc1ccc(C(C)N[C@H]2CCCN(CCN(C)C)C2)c(OS(=O)(=O)F)c1,IGQXWODNEJIWJH-LYKKTTPLSA-N
-rxn:2:74072:73522,CCCCC(NCc1cccnc1OC(C)C1CCN(C)CC1)C(C)C,ULHLBFJRQSEESU-UHFFFAOYSA-N
-rxn:2:74148:91416,CC1(C)C2CCC1(CS(=O)(=O)F)C(NCC1(S(C)(=O)=O)CC1)C2,IRHLUJYWLZHJOW-UHFFFAOYSA-N
-rxn:2:74273:126432,CCCC(Nc1ccc(OCC(C)C)nc1C)C1CCCN(CC(C)C)C1,GENUDNQOOKBARM-UHFFFAOYSA-N
-rxn:2:74525:118870,CC(=O)c1ccc(C2C(CSC(C)NC3(c4ncc[nH]4)C(C)(C)CCC3(C)C)C2(F)F)s1,UPHQOYMXAGDTPG-UHFFFAOYSA-N
-rxn:2:74683:73038,CCC(Nc1cnccc1OCCN1CCCCC1)c1cnc(N2CCN(CC)CC2)cc1C,HRPYJBARXBUFQU-UHFFFAOYSA-N
-rxn:2:74683:87087,CCC(Nc1cnccc1OCCN1CCCCC1)c1cnc(N2CCN(C(C)C)CC2)cc1C,JIOLLHYQFJTUFI-UHFFFAOYSA-N
-rxn:2:74747:115147,CC(C)(NC1C[C@H]2CC[C@]1(CS(=O)(=O)[O-])C2(C)C)C1CCC(F)(F)CC1,XCYWXYXQSOKHMG-KZXIYFNPSA-M
-rxn:2:74747:82501,C[C@H](NC1C[C@H]2CC[C@]1(CS(=O)(=O)[O-])C2(C)C)C1CCC(F)(F)CC1,IOGYISATOFSBCP-MIZWQYQUSA-M
-rxn:2:75130:92979,CCOCC1CCN(c2ncccc2NC(CC)C2(c3cc(C)ccc3C)CCN(C)CC2)CC1,KKZUNUUXGXNJLV-UHFFFAOYSA-N
-rxn:2:75610:130941,CCCN1CCN(c2ccc(NC(C)c3cnc(N4CCCCC4)nc3C)c(OC)c2)CC1,JQMCNFFXVZUVOV-UHFFFAOYSA-N
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-rxn:2:76528:117273,COCC(NC(C)SCC12CC(=O)CC(CN(C)C1)C2(F)F)c1n[nH]c(=O)[nH]1,HBQFUUBXFHEDFS-UHFFFAOYSA-N
-rxn:2:76532:172009,CCC(NCCCN1CCC2(CC1)CC(OC)CCO2)c1ccc(-c2cc3ccccc3[nH]2)cc1C,CBRCZESLZATVPW-UHFFFAOYSA-N
-rxn:2:76532:172722,COC1CCOC2(CCN(CCCNC(c3ccc(-c4cnc5cc[nH]c5c4)cc3)C(C)C)CC2)C1,JYSBJFCSIWPQKJ-UHFFFAOYSA-N
-rxn:2:76663:159934,CC(C)C(NCC(C)(C)CS(=O)(=O)C1CCCN(C)C1)c1ccc(-c2ccnc(N3CCCC3)n2)cc1,JLGXIGSBYCHZDX-UHFFFAOYSA-N
-rxn:2:77183:150130,CCC1(Oc2nccnc2NC(C)c2ccc(OC(C)C3CCCN(C)C3)c(OC)c2)COC1,AFGZSDXKDNBLMX-UHFFFAOYSA-N
-rxn:2:77613:117560,COCC(NC(c1cccc(CN2CCN(C)CC2)c1)C1CCCC1)c1ccc2c(c1)CCC(C)(C)O2,DMEDOGZSNXIIGA-UHFFFAOYSA-N
-rxn:2:77613:147524,CCc1nc2cc(C(CCN3CCCC3)NC(COC)c3ccc4c(c3)CCC(C)(C)O4)ccc2[nH]1,ZXCKDSRSXPMTAD-UHFFFAOYSA-N
-rxn:2:77613:71954,COCC(NC(c1cccc(CN2CCN(C)CC2)c1)C1CCC1)c1ccc2c(c1)CCC(C)(C)O2,WSDDBODXAZDBKL-UHFFFAOYSA-N
-rxn:2:78082:105836,CC(C)n1ncc2c1OC(C)(C)CC2NC1(CCOc2ccccc2)CCN(C)CC1,PLQAMUMROLVCKE-UHFFFAOYSA-N
-rxn:2:78219:79723,CCC(Nc1cccnc1OCCN1CCOCC1)c1ccc(N2CCN(CC)CC2)nc1C,NOMBAPFJWXWJPP-UHFFFAOYSA-N
-rxn:2:78219:87087,CCC(Nc1cccnc1OCCN1CCOCC1)c1cnc(N2CCN(C(C)C)CC2)cc1C,VFXRNZOULKUFAU-UHFFFAOYSA-N
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-rxn:2:79124:144270,CC(=O)c1cccc(C2C(CSC(C)NCC3(S(=O)(=O)C4CCCC4)COC3)C2(F)F)n1,JXRHXSKANLRDIS-UHFFFAOYSA-N
-rxn:2:79199:115389,CCC(C(Nc1cnc(OCCN2CCCCC2)nc1)c1ccc2c(c1)CCCC2)N1CCCC1,LGQSIDNAJSRYRZ-UHFFFAOYSA-N
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-rxn:2:79732:156937,CCCN1CCCCC1c1ccc(NC(CC2c3ccccc3-c3cncn32)C2CCCCC2)nc1C,WIGRFFAFBATGCU-UHFFFAOYSA-N
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-rxn:2:79960:132470,CC(C)COCC(NCCc1nc(C2CCN(C)CC2)c[nH]1)c1ccc2c(c1)CCC2,PGMSBTFAPUSEEI-UHFFFAOYSA-N
-rxn:2:80618:130914,CCC(C)c1ccc(C(C#CN2CCCC2)NC(C)C2CC(OC)C2)cc1,VAMQHAREJHHCKQ-UHFFFAOYSA-N
-rxn:2:81872:157153,COCCn1nc(C)c(-c2cccnc2C(C)NC2(c3ccc4c(c3)OCCCO4)CCOCC2)c1C,VHVQYRDBUKMJSY-UHFFFAOYSA-N
-rxn:2:81872:159449,COCCn1nc(C)c(-c2ncccc2C(C)NC2(c3ccc4c(c3)OCCCO4)CCOCC2)c1C,UKBALCKVKFINIV-UHFFFAOYSA-N
-rxn:2:82501:139138,C[C@H](NC1CC2CCC1(CS(=O)(=O)[O-])C2(C)C)C1CCC(F)(F)CC1,IOGYISATOFSBCP-VPCQXRJPSA-M
-rxn:2:82663:145364,CCCOC1(CNC(CN2CCCCC2)c2ccc3[nH]c(C4CC4)nc3c2)CCCC1,XQYGWWFMYDFQAR-UHFFFAOYSA-N
-rxn:2:82979:109579,CCCCC1CCC(c2cc(NC(C#CN3CCCC3)c3ccc(SCC)cc3)[nH]n2)CC1,HMGNQDNSXSNGNG-UHFFFAOYSA-N
-rxn:2:83314:112213,CCCC(Nc1n[nH]c2cc(OCC(C)C)ccc12)C1CCN(CC(C)C)CC1,GLMTUYXSFTZXLJ-UHFFFAOYSA-N
-rxn:2:83314:122821,CCCC(Nc1cccc2[nH]nc(OCC(C)C)c12)C1CCN(CC(C)C)CC1,MTONJJHHIJDKLS-UHFFFAOYSA-N
-rxn:2:83314:138406,CCCC(Nc1ccc2[nH]nc(OCC(C)C)c2c1)C1CCN(CC(C)C)CC1,RAMSQEDUBHJOGK-UHFFFAOYSA-N
-rxn:2:83562:89826,CCCN(C)C(C)C(NCc1cccnc1N1CCC(OC)CC1)c1cc(C)ccc1C,KLZVBTJLWMUMFL-UHFFFAOYSA-N
-rxn:2:83747:150471,CC(N[C@H](c1ccc(O[Si](C)(C)C)cc1)C1CC1)Oc1ccc(-c2cnn(C3CCC(=O)CC3)c2)cc1,KTFYKQHVLNQIGG-LOGQOBJBSA-N
-rxn:2:83832:108735,CCN1CC2CC(Nc3cc(-c4nnn[nH]4)cc(OC)c3OC)CC(CSC(C)=O)(C1)C2(F)F,YEMWVWKWMAJVJM-UHFFFAOYSA-N
-rxn:2:84015:113312,CC1(C)C2CC[C@]1(CS(=O)(=O)[O-])C(NCC(F)(F)CN1CCN3CCC1C3)C2,WPWOZLNVMRSBBP-GUZDXLFXSA-M
-rxn:2:84015:118629,CC1(C)C2CC[C@]1(CS(=O)(=O)[O-])C(NCC1([Si](C)(C)C)CC1)C2,IHBUTPUIWBABNZ-KVULBXGLSA-M
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-rxn:2:84484:126170,CCCC(C(Nc1ccc(N2CCCC2)nc1OCC)c1ccc2c(c1)CCC2)N1CCCC1,RPFNKSCFKFQQJP-UHFFFAOYSA-N
-rxn:2:84484:171582,CCCC(C(Nc1ccc(N2CCCC2)nc1OCC)c1ccc2c(c1)CCCC2)N1CCCC1,AHDPQFMFOKGJHP-UHFFFAOYSA-N
-rxn:2:84925:141891,Cc1ccc(C(NCC(C)c2ccc(OC3CCCCC3)cc2)C2CCCCC2)cc1C(C)(C)C,VMUKLVPYHHDDLR-UHFFFAOYSA-N
-rxn:2:85065:91416,CCN(C(C)C)C1(CNC2CC3CCC2(CS(=O)(=O)F)C3(C)C)CCSCC1,MUTSVDILFVRZRY-UHFFFAOYSA-N
-rxn:2:85499:128441,CC1(C)CSC(C)(C)C1NC(CCS(=O)(=O)F)C1CC1,OVDZWWKSSPMGOH-UHFFFAOYSA-N
-rxn:2:85566:132787,CCOc1ccc(C(C)Nc2ccc3cnn([C@@H]4CCCCO4)c3c2)cc1OC1CCN(C)CC1,PVYHYDVUAPDOFR-GPIXMLASSA-N
-rxn:2:86106:73038,CCC(Nc1cnccc1OCCN1CCOCC1)c1cnc(N2CCN(CC)CC2)cc1C,PPLOJWRRZFUAIK-UHFFFAOYSA-N
-rxn:2:86703:143567,COCc1n[nH]c(NC(C)c2nc(N3CCOCC3)nc(N3CCOCC3)n2)c1-c1ccccc1OC,YUBAFOIKFTXMBW-UHFFFAOYSA-N
-rxn:2:86737:141711,CCC(Nc1ccc(N2CCOC(C)(C)C2)cc1OC)c1cnc(N2CCN(CC)CC2)c(C)c1,MTOAANRBQHJBSY-UHFFFAOYSA-N
-rxn:2:86779:146538,CCOC1(CNC(c2ccc(OC)cc2)c2c[nH]c(C(=O)N=CN(C)C)c2)CN(C)C1,HFWRJDOMCUVOFV-UHFFFAOYSA-N
-rxn:2:86805:126170,CCCC(C(Nc1cc(C)cnc1OCC(C)C)c1ccc2c(c1)CCC2)N1CCCC1,QIAYSAGMJIWNEX-UHFFFAOYSA-N
-rxn:2:86805:171582,CCCC(C(Nc1cc(C)cnc1OCC(C)C)c1ccc2c(c1)CCCC2)N1CCCC1,MBKATSYNPCABSN-UHFFFAOYSA-N
-rxn:2:86998:147968,CCCCC(/N=c1\ncc2c([nH]1)CC(C)(C)CC2=O)NCc1ccc(SC(C)CC)nc1,XGYKYPZKEANNDR-UHFFFAOYSA-N
-rxn:2:87087:139843,CCC(Nc1nccnc1OCCN1CCCCC1)c1cnc(N2CCN(C(C)C)CC2)cc1C,GNKVTHBLLPKNGG-UHFFFAOYSA-N
-rxn:2:87087:87986,CCC(Nc1ccc(OCCN2CCCCC2)nc1)c1cnc(N2CCN(C(C)C)CC2)cc1C,BDOSVWKPWVFMJI-UHFFFAOYSA-N
-rxn:2:87986:141775,CCC(Nc1ccc(OCCN2CCCCC2)nc1)c1ccc(N2CCN(C(C)C)CC2)nc1C,ISMMLMNHMNHVOB-UHFFFAOYSA-N
-rxn:2:87986:87087,CCC(Nc1ccc(OCCN2CCCCC2)nc1)c1cnc(N2CCN(C(C)C)CC2)cc1C,BDOSVWKPWVFMJI-UHFFFAOYSA-N
-rxn:2:88587:147968,CC#CCC(NC(CCCC)/N=c1\ncc2c([nH]1)CC(C)(C)CC2=O)C(C)(C)c1ccccc1,WRAMORQGBAJHIX-UHFFFAOYSA-N
-rxn:2:89751:152761,CC(=O)c1cccc(C2C(CCSC(C)NC3(c4nc(C)nn4C)CCCC3)C2(F)F)n1,GNTRTVUPWYWBFJ-UHFFFAOYSA-N
-rxn:2:89768:171582,CCCC(C(Nc1cc(C)ccc1N1CCC(OCC)CC1)c1ccc2c(c1)CCCC2)N1CCCC1,UVWGNUVEYPGEMF-UHFFFAOYSA-N
-rxn:2:89779:144920,COCCC1(CNC(C)c2c(-c3cccc(OC(C)C)c3)cn[nH]c2=O)CCC(F)(F)CC1,KJXJIQCKOBIBAS-UHFFFAOYSA-N
-rxn:2:90277:163359,COC1CN(c2ccccc2NC(C#CN2CCOCC2)c2cc(C)ccc2C)CC1OC,JUQJQZYWRKZQCW-UHFFFAOYSA-N
-rxn:2:90921:171582,CCCC(C(Nc1ccc(OCC)cc1N1CCOCC1)c1ccc2c(c1)CCCC2)N1CCCC1,VFJGJXYGXYFORN-UHFFFAOYSA-N
-rxn:2:91160:109352,CN(C)CCN(C)C1CCC(NCC2C(c3cncn3C)C2(F)F)CC1,KPYCRQLAOJEBEF-UHFFFAOYSA-N
-rxn:2:91241:115389,CCC(C(Nc1ccc(OCCC(C)C)nn1)c1ccc2c(c1)CCCC2)N1CCCC1,ZWHAELIJCCHTDN-UHFFFAOYSA-N
-rxn:2:91416:121443,CC1(C)C2CCC1(CS(=O)(=O)F)C(NOS(C)(=O)=O)C2,ADRHMSJXVWTZIE-UHFFFAOYSA-N
-rxn:2:91416:139310,CC1(C)C2CCC1(CS(=O)(=O)F)C(NCC1CC(OS(C)(=O)=O)C1)C2,LZWSRLVREDAAKX-UHFFFAOYSA-N
-rxn:2:91811:160527,CCOC1CN(CC)CC1NC(c1ccc(-c2ccn(C3COC3)n2)cc1)C(C)C1CC1,OPTAMNBERORFPS-UHFFFAOYSA-N
-rxn:2:92615:73038,CCC(Nc1cccnc1N1CCC(CCOC)CC1)c1cnc(N2CCN(CC)CC2)cc1C,FDZJVMHYVRITOJ-UHFFFAOYSA-N
-rxn:2:92615:87087,CCC(Nc1cccnc1N1CCC(CCOC)CC1)c1cnc(N2CCN(C(C)C)CC2)cc1C,GRZLNNNHSWORSD-UHFFFAOYSA-N
-rxn:2:92987:126600,Cc1ccc(C(C)NC2CCN(CCN(C)C)CC2)c(OS(=O)(=O)F)c1,QPHHQOWWAIUWFG-UHFFFAOYSA-N
-rxn:2:93098:100874,COC1(CNC2CC3CCCC(C2)N3CCc2ccsc2)CS(=O)(=O)C1,VHPIRKNHYOZXJG-UHFFFAOYSA-N
-rxn:2:93098:109946,COC1(CNC2CC3CCCC(C2)N3CCc2ccsc2)CCS(=O)(=O)C1,UUISGYFSQFPLRQ-UHFFFAOYSA-N
-rxn:2:93780:140271,CCC(Nc1ccc(OCCN2CCC(C)CC2)nc1)C1CCCN(CC(C)C)C1,ONWSSQGVSWZJFW-UHFFFAOYSA-N
-rxn:2:93780:87087,CCC(Nc1ccc(OCCN2CCC(C)CC2)nc1)c1cnc(N2CCN(C(C)C)CC2)cc1C,IXDWNIUTDVINRL-UHFFFAOYSA-N
-rxn:2:94959:168772,CCC1CCC(CNC(C)c2c[nH]c3ncc(-c4ccc(COC)cc4)cc23)(N2CCSCC2)CC1,WSVITFIMMDVKHD-UHFFFAOYSA-N
-rxn:2:94986:139138,CC1(C)C2CCC1(CS(=O)(=O)[O-])C(NCC1CC3(C1)C(F)(F)C31CC1)C2,WVDTXNULWBCSOP-UHFFFAOYSA-M
-rxn:2:96240:136378,CC(C)OC(CNC1CCN(CCOS(C)(=O)=O)CC1)c1ccsc1,AHKZKMNMKLQEEW-UHFFFAOYSA-N
-rxn:2:96553:152487,COCCC(NC(CC1=NCCO1)c1cc(C)c(C)cc1OC)C(C)C,ZCQLZKPZRDCGMT-UHFFFAOYSA-N
-rxn:2:97115:133419,COCC1(OCc2ccccc2)CC(F)(F)CCC1NC(c1n[nH]c(=O)[nH]1)C1C2CC3CC(C2)CC1C3,DLDXASJEUMUDSA-UHFFFAOYSA-N
-rxn:2:97227:112215,CCOCC1CCCN(c2ccc(NC(c3ccc4c(c3)CCC4)C(CC)N3CCCC3)cn2)C1,KUWOEMCDRCYPDJ-UHFFFAOYSA-N
-rxn:2:97227:155230,CCOCC1CCCN(c2ccc(NC(CN3CC(C)CC(C)C3)c3ccc4[nH]c(C)nc4c3)cn2)C1,QCHFNPLNYHQSIW-UHFFFAOYSA-N
-rxn:2:97288:126600,Cc1ccc(C(C)NC2CC3CCC(C2)N3C2CCC2)c(OS(=O)(=O)F)c1,AVENYFQWUDKPLQ-UHFFFAOYSA-N
-rxn:2:97494:150146,CCCCN1C(CNC(c2ccc(-c3cccnc3OC)cc2)C2CC2)CN(C)CCC1(C)C,KXJSFSXSPHUBQP-UHFFFAOYSA-N
-rxn:2:97794:117066,CC(NCC1(C(C2CCN(C)CC2)N(C)C)CC1)c1ccc(OS(=O)(=O)[O-])cc1,XHMZQXQRERKHKY-UHFFFAOYSA-M
-rxn:2:97809:172373,CCCC(C(NC1CCN(Cc2ccccc2OC)C1(C)C)c1ccc2ccccc2c1)N1CCCC1,CYUFSSVUMUNJNO-UHFFFAOYSA-N
-rxn:2:99024:123308,C=C=Cc1ccc(C(NCCN2CCC(C)(COC)CC2)C(C)C2CC2)cc1,DKIHCDHRGLZLPL-UHFFFAOYSA-N
-rxn:2:99036:72240,CCCCCCC#CC(NC(CC)(CC)c1nc2c(c(=O)[nH]1)CCCCC2)c1ccc(C)cc1,GFYAYQUMWGFLGJ-UHFFFAOYSA-N
-rxn:2:99189:147524,CCc1nc2cc(C(CCN3CCCC3)Nc3ccccc3OCC3CCN(C)CC3)ccc2[nH]1,LUOMGFSOKYHQTC-UHFFFAOYSA-N
-rxn:2:99263:126600,Cc1ccc(C(C)NCCN(C)C2CCCN(C)C2)c(OS(=O)(=O)F)c1,WITFQOZOGMIMMT-UHFFFAOYSA-N
-rxn:2:99278:126600,COCCCN1CCC(NC(C)c2ccc(C)cc2OS(=O)(=O)F)CC1,KMXQOKYCAOWRHH-UHFFFAOYSA-N
-rxn:2:99278:167550,COCCCN1CCC(NC(C)c2sc(-c3ccc(N4CCCC4)nc3)nc2C)CC1,QISCDZSGUUSBCD-UHFFFAOYSA-N
-rxn:2:99573:114270,CCC(Nc1ccc(OCCC(C)C)nc1)C1CCN(CC(C)C)CC1,PJNURHBCVJYBHU-UHFFFAOYSA-N
-rxn:2:99573:153087,CCc1c(C)[nH]c2c1C(Nc1ccc(OCCC(C)C)nc1)C(CN1CCOCC1)CC2,PWQJCSSILVSYCH-UHFFFAOYSA-N
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-rxn:3:50788:38467:69673,C[C@@H](C(=O)NC1CCOC2CC12)n1cc(C2C(Cn3cc(CN(C)C4CCCCC4)nn3)C2(F)F)cn1,CMNRHEGZKMHVCO-CGLQNNSISA-N
-rxn:3:50788:38467:73790,CC1CSCCC1NC(=O)[C@H](C)n1cc(C2C(Cn3cc(CN(C)C4CCCCC4)nn3)C2(F)F)cn1,CHNSGLVXDIBRSI-DCGDXHBSSA-N
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-rxn:3:50788:38467:93676,C[C@@H](C(=O)NC1CCOC1F)n1cc(C2C(Cn3cc(CN(C)C4CCCCC4)nn3)C2(F)F)cn1,DPHHXPSOZLVSFX-QITFCLPUSA-N
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-rxn:3:50788:38467:99781,C[C@@H](C(=O)NCC1C2CCOC21)n1cc(C2C(Cn3cc(CN(C)C4CCCCC4)nn3)C2(F)F)cn1,IUIDPVUSNYAHSB-CGLQNNSISA-N
-rxn:3:50788:39600:105206,CC1CSCC1NC(=O)[C@H](C)n1cc(C2C(Cn3cc(CN4CCCC(N(C)C)C4)nn3)C2(F)F)cn1,DRHAHJCREPCRSL-QBOUSDEDSA-N
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-rxn:3:54202:39600:138378,COC1CC2CC(NC(=O)c3ccncc3C3C(CCn4cc(CN5CCCC(N(C)C)C5)nn4)C3(F)F)C2C1,ZXPQTIXDZAHQKU-UHFFFAOYSA-N
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-rxn:3:62466:18539:84946,CC(C)c1cn(C2CCCCC2)nc1-c1cn(C2CCC(C(=O)NCc3ccc(OS(=O)(=O)F)cc3)C3CCC32)nn1,NAUFHQDBAXHAKB-UHFFFAOYSA-N
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-rxn:3:62466:28204:83860,C=C1CN2CCCC2(c2cn(C3CCC(C(=O)Nc4cccc(OS(=O)(=O)F)c4)C4CCC43)nn2)C1,BIPKXCZPLIXDQM-UHFFFAOYSA-N
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-rxn:3:62466:29454:89779,COCCC1(CNC(=O)C2CCC(n3cc(C[N+]45CN6CN(CN(C6)C4)C5)nn3)C3CCC23)CCC(F)(F)CC1,XVTGKGKCKVFTPP-UHFFFAOYSA-O
-rxn:3:62466:6120:132256,CC(C)n1ncc(-c2cn(C3CCC(C(=O)Nc4cccc(OC5CC5(F)F)c4)C4CCC43)nn2)c1C1CCCCC1,AMSLLUFVMDLMBA-UHFFFAOYSA-N
-rxn:3:62466:8620:130143,CCCCCONC(=O)C1CCC(n2cc(C3(N(C)C)CCC(F)(F)CC3)nn2)C2CCC12,PAJFJTYEVGQRCP-UHFFFAOYSA-N
-rxn:3:62646:5477:108690,COCONC(=O)C(N1CC(Cn2cc(-c3cnn(C4CC4(F)F)c3)nn2)CC1=O)C(C)(C)C,KGNQEDODRVTTBP-UHFFFAOYSA-N
-rxn:3:62722:5274:95986,CC#CC1(F)CC(NC(=O)C(CC)N2CC(Cn3cc(CSC4=Nc5ccccc5SC4C)nn3)CC2=O)C1,DCRGSMRUOIPWDM-UHFFFAOYSA-N
-rxn:3:62782:16779:134661,Cc1c(-c2cn(CC3CC(=O)N(C(C(=O)NCC4CCOCO4)C4CCCC4)C3)nn2)cnn1CC(F)(F)F,BYVPBAWTNJOJEK-UHFFFAOYSA-N
-rxn:3:62782:28707:100517,CCSC1CC(NC(=O)C(C2CCCC2)N2CC(Cn3cc(-c4cccnc4N4CC(F)(F)C4)nn3)CC2=O)C1,QVBRXZBRHSFVPS-UHFFFAOYSA-N
-rxn:3:62784:35117:136174,C=C(C)c1cn(CC2CC(=O)N(C(C(=O)Nc3cccc(C4OCC4(F)F)c3)C3CCCCC3)C2)nn1,NQCISGJJTRTPIP-UHFFFAOYSA-N
-rxn:3:62824:29454:138869,COC1(CNC(=O)[C@@H](C2=CCC=CC2)N2CC(Cn3cc(C[N+]45CN6CN(CN(C6)C4)C5)nn3)CC2=O)CSC1,LFXZNXINGXYUBV-UIDYPRJRSA-O
-rxn:2:100874:153662,CCc1ccc(C(NCC2(OC)CS(=O)(=O)C2)C23CN4CN(CN(C4)C2)C3)cc1,SZZYPUHXXBQNEO-UHFFFAOYSA-N
-rxn:2:101873:126600,Cc1ccc(C(C)NC2CCN(c3cc(C4CCOCC4)ncn3)C2)c(OS(=O)(=O)F)c1,LFTHRZSLHXNWIL-UHFFFAOYSA-N
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-rxn:2:104119:172550,Cc1ccccc1C(NC1CCC(C2CCCCC2)CC1)c1cc(C(C)(C)C)ccc1C,CPIRTYROFBIPPE-UHFFFAOYSA-N
-rxn:2:105680:132855,CON1CCC(NC(c2c(C)cc(C(C)(C)C)cc2C)C2CCC2)CC1,BQMYIJLYUZZWEJ-UHFFFAOYSA-N
-rxn:2:105892:135871,CC(N[C@H]1CC[C@H](N2CCCCCC2)CC1)c1ccccc1C(C)(C)C,SLGIFHZXBRWWRQ-XPUGBJAQSA-N
-rxn:2:105921:125295,CCCN(C)C1(CNC2CC(CS(=O)(=O)F)C2)CN2CCC1CC2,RCKSAHIATUWBHX-UHFFFAOYSA-N
-rxn:2:109467:115621,CC(CCS(=O)(=O)c1ccccc1)NCC1(N(C)C2CC2)CN2CCC1CC2,CCQVDKYFKHROIS-UHFFFAOYSA-N
-rxn:2:109467:136798,CN(C1CC1)C1(CNC2CS(=O)(=O)c3ccccc32)CN2CCC1CC2,ACWSSXRLJPDRGP-UHFFFAOYSA-N
-rxn:2:109946:153662,CCc1ccc(C(NCC2(OC)CCS(=O)(=O)C2)C23CN4CN(CN(C4)C2)C3)cc1,BQHNACZJRVDESC-UHFFFAOYSA-N
-rxn:2:111950:129606,COCC(Cc1ccc2c(c1)OCCO2)NC1CC2CCCCN2c2cc(OC)ccc21,RVFZBVRZYPQJPL-UHFFFAOYSA-N
-rxn:2:112194:140582,CCC(Nc1ccc(C2(COC)CC2)cc1)C1CCN(C2CCC2)CC1,POWSCRQUGMJHBN-UHFFFAOYSA-N
-rxn:2:114276:153662,CCc1ccc(C(NCC2(CCOC)CCS(=O)(=O)C2)C23CN4CN(CN(C4)C2)C3)cc1,BOLBBTUHFNABGE-UHFFFAOYSA-N
-rxn:2:114748:155396,CC(=O)c1ccc(C2C(CSC(C)NCc3cn(CC(C)C)c(=O)[nH]c3=O)C2(F)F)nc1,BYWRGWXEXDZZGO-UHFFFAOYSA-N
-rxn:2:117066:115991,CC(NC1CCOC2(C1)CC1CCC(C2)N1C)c1ccc(OS(=O)(=O)[O-])cc1,RUGLGYAYITUEFH-UHFFFAOYSA-M
-rxn:2:118641:147728,CC(=O)c1ccc(C2C(CSC(C)Nc3cn(CCC(C)C)c(=O)[nH]c3=O)C2(F)F)cn1,DBZKFZZODHIDLA-UHFFFAOYSA-N
-rxn:2:120083:126600,Cc1ccc(C(C)Nc2[nH]ncc2CC2C3CC4CC(C3)CC2C4)c(OS(=O)(=O)F)c1,PAZAKZQBYLJZTB-UHFFFAOYSA-N
-rxn:2:120122:135871,CC(NCC1CCCN(C2CCCCC2)C1)c1ccccc1C(C)(C)C,ZTFLCXMBTPNALW-UHFFFAOYSA-N
-rxn:2:121007:130914,COC1CC(C(C)NC2CCCCCC2c2ccc(C(C)(C)C)cc2)C1,ZDRYZOPPIULXJU-UHFFFAOYSA-N
-rxn:2:124083:135871,CC(NC1CCCCCCC1N1CCCCC1)c1ccccc1C(C)(C)C,WXGKJSJZIGMNSY-UHFFFAOYSA-N
-rxn:2:124284:147968,CCCCC(/N=c1\ncc2c([nH]1)CC(C)(C)CC2=O)NCCn1c(C)nnc1C1CCC(F)(F)CC1,JUKBYXPIENUWGF-UHFFFAOYSA-N
-rxn:2:124753:156343,CC(=O)c1ccc(C2C(CCSC(C)Nc3nc(N4CCOCC4)[nH]c(=O)c3C)C2(F)F)cn1,YWLWMUJEIGCHEH-UHFFFAOYSA-N
-rxn:2:126568:126600,Cc1ccc(C(C)NCc2[nH]cnc2C2C3CC4CC(C3)CC2C4)c(OS(=O)(=O)F)c1,NHQRHMQPFNCARM-UHFFFAOYSA-N
-rxn:2:126600:130500,Cc1ccc(C(C)NCc2nccn2C2C3CC4CC(C3)CC2C4)c(OS(=O)(=O)F)c1,LZMNFIBQCBWDDP-UHFFFAOYSA-N
-rxn:2:126600:131168,Cc1ccc(C(C)Nc2[nH]ncc2SC23CC4CC(CC(C4)C2)C3)c(OS(=O)(=O)F)c1,DXIZFZQTLYQRBG-UHFFFAOYSA-N
-rxn:2:128520:120694,COCC1CCC(NC(c2ccc(C(C)(C)C)cc2)C2CCCN2C)CC1,OXBDYYWCLYKCAO-UHFFFAOYSA-N
-rxn:2:128520:131660,COC(CNC(c1ccc(C(C)(C)C)cc1)C1CCCN1C)C1CCC1,FWMCBONCFVLSTO-UHFFFAOYSA-N
-rxn:2:130089:153662,CCc1ccc(C(NCCS(=O)(=O)[O-])C23CN4CN(CN(C4)C2)C3)cc1,CDNGGMHSROBOAX-UHFFFAOYSA-M
-rxn:2:133419:160378,CS(=O)(=O)c1cccc(-c2cccc3c2C(NC(c2n[nH]c(=O)[nH]2)C2C4CC5CC(C4)CC2C5)CC3)c1,JZKHNQJZHJJMLR-UHFFFAOYSA-N
-rxn:2:141015:134481,COc1c(C(NC(c2ccccc2)C2CCCCC2)C2CCC2)cc(C)cc1C(C)(C)C,IHSDIQVFGVMNHV-UHFFFAOYSA-N
-rxn:2:67041:70685,O=S(=O)(F)C1CC(NCCc2cn(C3C4CC5CC(C4)CC3C5)cn2)C1,ZYRQMMJOKGIJFH-UHFFFAOYSA-N
-rxn:2:67384:126600,Cc1ccc(C(C)NCc2cnnc(C34CC5CC(CC(C5)C3)C4)c2)c(OS(=O)(=O)F)c1,WQNIMZISGFUGFY-UHFFFAOYSA-N
-rxn:2:68132:121931,CN1[C@@H]2CCC[C@H]1C[C@@H](NC1CCCN(C(C)(C)C)CC1)C2,YQYJZOAMTGRCAR-XQJIBGEZSA-N
-rxn:2:68132:79247,CN1[C@@H]2CC[C@H]1C[C@@H](NC1CCCN(C(C)(C)C)CC1)C2,ZMEFHPVGJTZFIC-AMGCWALESA-N
-rxn:2:68244:137912,CC(=O)c1cn([C@H]2C[C@H](CSC(C)NCC(F)(F)CN3CCOC(C)C3)C2)nn1,LPECWVJDVBIKTO-HZGUWWOASA-N
-rxn:2:68244:91059,CC(=O)c1cn([C@H]2C[C@@H](CSC(C)NCC(F)(F)CN3CCOC(C)C3)C2)nn1,LPECWVJDVBIKTO-BWPPORJPSA-N
-rxn:2:68654:128208,COC1CCC(N2CCC(NC(c3ccc(C(C)(C)C)cc3)C3CC3)CC2)CC1,QIGGSYZYAWLPNY-UHFFFAOYSA-N
-rxn:2:68654:169060,CCC(NC1CCN(C2CCC(OC)CC2)CC1)c1ccc(-c2cccc(C)c2)cc1C,YDAMZJSSROZTEF-UHFFFAOYSA-N
-rxn:2:68654:171429,COC1CCC(N2CCC(NC3COc4cc(-c5ccc(C(C)(C)C)cc5)ccc43)CC2)CC1,DZCJAHDMJCRYLF-UHFFFAOYSA-N
-rxn:2:68654:172601,COC1CCC(N2CCC(NC3COc4cccc(-c5ccc(C(C)(C)C)cc5)c43)CC2)CC1,RPWNWSHXFDVQMA-UHFFFAOYSA-N
-rxn:2:68745:137912,CC(=O)c1cn([C@H]2C[C@H](CSC(C)NCC(F)(F)CN3CCCOC(C)C3)C2)nn1,YNRNRNKADNZSSP-RWTQZSSNSA-N
-rxn:2:68745:91059,CC(=O)c1cn([C@H]2C[C@@H](CSC(C)NCC(F)(F)CN3CCCOC(C)C3)C2)nn1,YNRNRNKADNZSSP-QKEFKNMBSA-N
-rxn:2:68918:89691,COc1cccc2c1C(NC(c1ccc(C3CCCCC3)cc1)C1CCC1)CC(C)(C)O2,OHDVKXGJXYOSLB-UHFFFAOYSA-N
-rxn:2:70016:153662,CCc1ccc(C(NCCOC2CCS(=O)(=O)CC2)C23CN4CN(CN(C4)C2)C3)cc1,VCMOILRLALAKJC-UHFFFAOYSA-N
-rxn:2:70685:83732,O=S(=O)(F)C1CC(NCc2coc(CC3C4CC5CC(C4)CC3C5)n2)C1,SKFMUGZWUAKLQX-UHFFFAOYSA-N
-rxn:2:70780:153662,CCc1ccc(C(NCS(=O)(=O)CC)C23CN4CN(CN(C4)C2)C3)cc1,UDNZHFPDOUTXJD-UHFFFAOYSA-N
-rxn:2:71242:137125,CCC(N[C@H]1C[C@H](c2ccc(C(C)(C)C)cc2)C1)C1CCC(OC)CC1,FUWSMOCHBXFJTF-CNDARZPCSA-N
-rxn:2:71394:130600,CC(=O)Oc1cc(C(C)=O)ccc1OC(C)NCC(F)(F)c1cnc(N2CCCC2)nc1,MGSBYQGNTFAOPA-UHFFFAOYSA-N
-rxn:2:71520:107709,CC(CCC1CCCCCC1)NC1CCCc2c1cccc2C(C)(C)C,WZBYYVFVTSAWQA-UHFFFAOYSA-N
-rxn:2:71908:135939,O=S(=O)(F)c1ccccc1C#CCCNC1CCC(c2nccc(C3CCCCC3)n2)CC1,COUQBNRCGPJLLO-UHFFFAOYSA-N
-rxn:2:72055:94834,CCC(NCc1ccc(C(C)(C)OC)cc1)C1CCCN1C1CCCC1,PDWHOFLDVFKFSQ-UHFFFAOYSA-N
-rxn:2:72348:88564,CC12COC3(S(=O)(=O)[O-])C1CCC2(C)C3NCC1CSCC1(F)F,AJZLTJKGRHUIBR-UHFFFAOYSA-M
-rxn:2:72475:122520,CC[C@H]1CC[C@H](C2CCC(Nc3ccc(C4(OC)COC4)cc3)CC2)CC1,ZVBFSKQUCQSXSI-JCIQBNCYSA-N
-rxn:2:72475:134361,CC[C@H]1CC[C@H](C2CCC(Nc3ccccc3C(C)(C)OC)CC2)CC1,FKIQEETUVRTFCO-GOHCJOFJSA-N
-rxn:2:72614:84782,CCCC(Nc1ccc(O[Si](C)(C)C)cc1)C1CCN(C2CCCC2)CC1,RLVMHXIQLGLJLA-UHFFFAOYSA-N
-rxn:2:73334:144270,CC(=O)c1cccc(C2C(CSC(C)Nc3cc(=O)[nH]n3C(C)C3(C)CC3)C2(F)F)n1,RRVARQBLLNDPSS-UHFFFAOYSA-N
-rxn:2:73334:152761,CC(=O)c1cccc(C2C(CCSC(C)Nc3cc(=O)[nH]n3C(C)C3(C)CC3)C2(F)F)n1,YECJAKGSYQSSIG-UHFFFAOYSA-N
-rxn:2:74006:70685,O=S(=O)(F)C1CC(Nc2cc(COC34CC5CC(CC(C5)C3)C4)[nH]n2)C1,DDLFUBBBXPCWBR-UHFFFAOYSA-N
-rxn:2:76653:126600,Cc1ccc(C(C)NCC(c2ncc[nH]2)C2C3CC4CC(C3)CC2C4)c(OS(=O)(=O)F)c1,AEKSWOAHJJBNMX-UHFFFAOYSA-N
-rxn:2:76854:123907,CC(NC1CCCCCCCCCCC1)c1ccc(C(C)(C)C)cc1C(C)(C)C,JSUOEKPZNZQOIL-UHFFFAOYSA-N
-rxn:2:77662:99835,CCC(CC)n1nc(C(C)C)c(C)c1NCC(OC)C1CC(F)(F)C1,ZBHOOQHKIHKEGN-UHFFFAOYSA-N
-rxn:2:78997:126600,Cc1ccc(C(C)NCc2cnn(C34CC5CC(CC(C5)C3)C4)n2)c(OS(=O)(=O)F)c1,SKBUFCORHHRULL-UHFFFAOYSA-N
-rxn:2:79800:167574,CS(C)(=O)=NS(=O)(=O)CCNC(c1ccc2ccccc2c1)C12CN3CN(CN(C3)C1)C2,AEKDVKTYIISLPT-UHFFFAOYSA-N
-rxn:2:79917:117602,CC(=O)c1cn(C2CCC2SC(C)NCCCCN2CCC(F)(F)CC2)nn1,XFEYKQDLNIRCDE-UHFFFAOYSA-N
-rxn:2:80829:128132,CC(C)C(C)N1C2CCCC1CC(Nc1cncc(OS(=O)(=O)F)c1)C2,FGAAKMRVDHQQAX-UHFFFAOYSA-N
-rxn:2:81293:132367,COC1C2CCCC2C1NC(c1ccc(C(C)(C)C)cc1C)C1CCCC1,AGUQGWSWOPYGSE-UHFFFAOYSA-N
-rxn:2:81598:142451,CC(=O)c1cncc(C2C(CCSC(C)Nc3cn(CC(C)C)c(=O)[nH]c3=O)C2(F)F)c1,VVWKZWXTAOOMJO-UHFFFAOYSA-N
-rxn:2:81598:152761,CC(=O)c1cccc(C2C(CCSC(C)Nc3cn(CC(C)C)c(=O)[nH]c3=O)C2(F)F)n1,NDMUJSFXCNNVRR-UHFFFAOYSA-N
-rxn:2:83136:102195,COC[C@H]1CC[C@H](NC2CCCN(c3ccccc3C(C)(C)C)C2)CC1,FTZUXPNJZLIZBV-ORXZLVCASA-N
-rxn:2:83136:135524,COC[C@H]1CC[C@@H](NC2CCCN(c3ccccc3C(C)(C)C)C2)CC1,FTZUXPNJZLIZBV-YOFSQIOKSA-N
-rxn:2:83285:132367,COC1CC2C(C1)C2NC(c1ccc(C(C)(C)C)cc1C)C1CCCC1,VYUKWWLFYMZMGV-UHFFFAOYSA-N
-rxn:2:84227:113312,CC(C)(C)C(NCC(F)(F)CN1CCN2CCC1C2)C1=NCCC1,NJEGLEPREQLJTF-UHFFFAOYSA-N
-rxn:2:84590:80298,Cc1c2c(nn1COCC[Si](C)(C)C)C(Nc1cc(=O)[nH]n1CC1CC1(F)F)CC2,YTXAGKZSJTYFRP-UHFFFAOYSA-N
-rxn:2:84594:113254,CN(C1CCC(NC(C)(C2CC2)C2CC2)CC1)C(C)(C)C,ULTRDHWKDQWUHH-UHFFFAOYSA-N
-rxn:2:84594:131116,CN(C1CCC(NCC2CC(C3CC3)C2)CC1)C(C)(C)C,KUPVJYQEFKPYIL-UHFFFAOYSA-N
-rxn:2:84594:81153,CN(C1CCC(NC(C2CCCC2)C2CCC2)CC1)C(C)(C)C,FBNQVBBDLJQHET-UHFFFAOYSA-N
-rxn:2:84594:90923,CN(C1CCC(NC(CC2CC2)C2CCCC2)CC1)C(C)(C)C,ZBAWJWYMLXZPAZ-UHFFFAOYSA-N
-rxn:2:85870:121931,CN1[C@@H]2CCC[C@H]1C[C@@H](NC1CCN(C(C)(C)C)CC1)C2,WSLQYPVJDJIAKH-BJWYYQGGSA-N
-rxn:2:85978:134361,CCCC1CCC2(CC1)CCC(Nc1ccccc1C(C)(C)OC)CC2,DXNAMGGLTBNPEC-UHFFFAOYSA-N
-rxn:2:86034:126600,Cc1ccc(C(C)NC(c2nnc(C)[nH]2)C2C3CC4CC(C3)CC2C4)c(OS(=O)(=O)F)c1,DNURHGUSYJEMKV-UHFFFAOYSA-N
-rxn:2:87350:135871,CC(NC1CCCCCCC1N1CCCCCC1)c1ccccc1C(C)(C)C,LLGMRAGWIUMJFP-UHFFFAOYSA-N
-rxn:2:87906:128208,CO[C@H]1CCN(C2CCC(NC(c3ccc(C(C)(C)C)cc3)C3CC3)CC2)C1,AQHQVUCGJWXHJO-KHEPKPQXSA-N
-rxn:2:88302:111950,COc1ccc2c(c1)N1CCCCC1CC2NC(c1ccc(C(C)(C)C)cc1)C1CCCC1,DTQUPRPEKAYCIN-UHFFFAOYSA-N
-rxn:2:88507:109467,CN(C1CC1)C1(CNC2CCS(=O)(=O)c3ccccc32)CN2CCC1CC2,ZZLGUZZTBWQZNU-UHFFFAOYSA-N
-rxn:2:88564:108579,CC1CSCCN(CC(F)(F)CNC2C3(C)CCC4C3(C)COC42S(=O)(=O)[O-])C1,ZHHYFXUGTHIGQW-UHFFFAOYSA-M
-rxn:2:88564:127097,CC12COC3(S(=O)(=O)[O-])C1CCC2(C)C3NC1CC2CN(C3CC3)CC(C1)C2(F)F,QPFKKSNIMSDEBR-UHFFFAOYSA-M
-rxn:2:88564:93519,CC12COC3(S(=O)(=O)[O-])C1CCC2(C)C3NC1C(F)CC2CC21,CMDUOJKXZQOSLG-UHFFFAOYSA-M
-rxn:2:89364:127654,CON1CCC(NC(c2c(C)cc(C(C)(C)C)cc2C)C2CCCC2)CC1,INDYKEQIHVDSHE-UHFFFAOYSA-N
-rxn:2:89452:109467,CN(C1CC1)C1(CNC(CS(=O)(=O)[O-])c2ccccc2)CN2CCC1CC2,GYYFNGFKASMHSR-UHFFFAOYSA-M
-rxn:2:90671:134481,COc1c(C(NC(c2ccccc2)C2CCCCCC2)C2CCC2)cc(C)cc1C(C)(C)C,BFIOULLPLOJNMG-UHFFFAOYSA-N
-rxn:2:91729:157499,COC(CNC1c2cc(C)ccc2N=C2C1CCN2c1ccccc1)C1CCCCCC1,ZLZPOSMDKILBNV-UHFFFAOYSA-N
-rxn:2:91754:90671,COc1c(C(NC(c2ccccc2)C2CCCCCC2)C2CC2)cc(C)cc1C(C)(C)C,LGGUVHCUBKUGPK-UHFFFAOYSA-N
-rxn:2:92684:134481,COc1c(C(NC(c2cccnc2)C2CCCCC2)C2CCC2)cc(C)cc1C(C)(C)C,ICWGQNRHIRPZAS-UHFFFAOYSA-N
-rxn:2:93074:117066,CC(NCC12CN(C)CC(CN(C3CC3)C1)C2(F)F)c1ccc(OS(=O)(=O)[O-])cc1,TXQOHDLFNLNNRO-UHFFFAOYSA-M
-rxn:2:93434:135871,CC(NC1CCCN(C2CCCCCC2)C1)c1ccccc1C(C)(C)C,JBGZXIRQMIYQBD-UHFFFAOYSA-N
-rxn:2:95821:101723,CN1[C@@H]2CCC(NCC3CCN(C(C)(C)C)CC3)[C@H]1CC2,VUFYEXKRAAFYKN-PWZMFNOBSA-N
-rxn:2:96268:137912,CC(=O)c1cn([C@H]2C[C@H](CSC(C)NCC(F)(F)CN3CCSC(C)C3)C2)nn1,QXNPDJSVDPGALO-HZGUWWOASA-N
-rxn:2:96268:91059,CC(=O)c1cn([C@H]2C[C@@H](CSC(C)NCC(F)(F)CN3CCSC(C)C3)C2)nn1,QXNPDJSVDPGALO-BWPPORJPSA-N
-rxn:2:96512:132868,O=S(=O)(F)n1cc(NC2CC3C(C2)C2CN(C4CC4)CC3C2(F)F)cn1,CKIUZDQJBAJKMO-UHFFFAOYSA-N
-rxn:2:98065:132855,CON1CCC(NC(c2ccc(C(C)(C)C)cc2)C2CCCCO2)CC1,GLJDHZXGBYMARA-UHFFFAOYSA-N
-rxn:2:98346:135939,O=S(=O)(F)c1ccccc1C#CCCNC1CCC(c2csc(C3CCCCC3)n2)CC1,GYTAJMQXAITGNM-UHFFFAOYSA-N
-rxn:2:98739:123990,CC(C)(C)C(CCN1CCS(=O)(=O)CC1)NCCO[Si]12OCCN(CCO1)CCO2,VJZPENYADIRBIW-UHFFFAOYSA-N
-rxn:2:101140:171582,CCCC(C(Nc1ccc2c(c1OC)OCO2)c1ccc2c(c1)CCCC2)N1CCCC1,WCQYDHRLAXWOIB-UHFFFAOYSA-N
-rxn:2:102544:144237,CC(=O)c1cncc(C2C(CSC(C)Nc3n[nH]cc3N(C)CC(C)(C)C)C2(F)F)c1,XIVKVPKKEJDJHU-UHFFFAOYSA-N
-rxn:2:102573:117220,CC(C)(C)[Si](C)(C)Oc1cccc2c1C(NC(c1noc(C3CCCCC3)n1)C1CC1)CC2,AONAKIRVPQMDDC-UHFFFAOYSA-N
-rxn:2:102573:138399,CC(C)(C)[Si](C)(C)Oc1cccc2c1C(NC(c1noc(C3CC3)n1)C1CCCC1)CC2,UJPJMRYZEJMHDO-UHFFFAOYSA-N
-rxn:2:105068:122520,CCCC(Nc1ccc(C2(OC)COC2)cc1)C1CCN(C2CCC2)CC1,LTHYRHKSZAJDKD-UHFFFAOYSA-N
-rxn:2:105550:171582,CCCC(C(Nc1cccnc1OCC1CCCCO1)c1ccc2c(c1)CCCC2)N1CCCC1,LDQRIIKKYIBHBE-UHFFFAOYSA-N
-rxn:2:105763:143818,CC(CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)Nc1cncnc1OC1CCCC1N1CCCC1,BZYDOVYJAWEPSA-UHFFFAOYSA-N
-rxn:2:106789:124463,O=S1(=O)CCC(CCNC2CC3CCCC(C2)N3C2CC2)(n2cccn2)CC1,KSNFQZQEDWFYIB-UHFFFAOYSA-N
-rxn:2:106868:165376,CCCC(NCCN1CC(COC)C2(CCCCC2)C1)c1ccc(-c2n[nH]c3ncccc23)cc1,VLHYMIFFVQWZQL-UHFFFAOYSA-N
-rxn:2:108386:129471,COCCC(Nc1cccc(OC2CCN(C3COC3)CC2)c1)C(C)C,APYITUXJDXZECN-UHFFFAOYSA-N
-rxn:2:108912:137863,CC(C)CSC(=N)C(F)(F)c1cccc(C(C)NCC(C)(C)N(C)c2n[nH]c(=O)[nH]c2=O)n1,ALONSAGZJYTRFM-UHFFFAOYSA-N
-rxn:2:110482:140873,CCCC(NC1CCN(c2ccccc2COC)CC1)C1CCCCN1C1CC1,AOZGGJAFLPBOJO-UHFFFAOYSA-N
-rxn:2:112423:171582,CCCC(C(Nc1ccc(OCC2CCCCC2)cn1)c1ccc2c(c1)CCCC2)N1CCCC1,JGGWFSJQFVBKKV-UHFFFAOYSA-N
-rxn:2:114454:123413,CCS(=O)(=O)C(CNCCC#Cc1ccc(S(=O)(=O)F)cc1)C1CCCCC1,CDJLDWNRSVCKRS-UHFFFAOYSA-N
-rxn:2:114541:170424,COCC1CN(CCNC(c2ccc(-c3ccc4[nH]ncc4c3)cc2)C(C)C2CC2)CC12CCC2,SZPIJLUSDKKPNP-UHFFFAOYSA-N
-rxn:2:117066:137376,CC(NCC(C)N(C)C1CCN(C)CC1)c1ccc(OS(=O)(=O)[O-])cc1,QAWCGHSJZWUZNX-UHFFFAOYSA-M
-rxn:2:117066:138984,CC(NC1CCC(N(C)C2CCC2)CC1)c1ccc(OS(=O)(=O)[O-])cc1,IQVWTXHGTNNCNM-UHFFFAOYSA-M
-rxn:2:118846:170915,COCCC1(NC2CCC(C)(C)c3ccc(-c4cccc(C5CC5)c4)cc32)CCOCC1,XWXAHGLVOKXNIN-UHFFFAOYSA-N
-rxn:2:118870:143569,CC(=O)c1ccc(C2C(CSC(C)Nc3cn(Cc4nnc5n4CCCCC5)nc3C)C2(F)F)s1,WWROXEFUQIXLFQ-UHFFFAOYSA-N
-rxn:2:118875:123472,CCCS(=O)(=O)c1ccc(C(C)NCC(C2CC2)N(C)C2CCN(C)CC2)cc1,BPOKIYJLJGNZOO-UHFFFAOYSA-N
-rxn:2:120901:142451,CC(=O)c1cncc(C2C(CCSC(C)Nc3[nH]c(C)nc3N(C)C3CCCC3)C2(F)F)c1,YQUZFFLOWYWFKK-UHFFFAOYSA-N
-rxn:2:121387:170642,CCOC1CC(NC(c2c[nH]c3cc(-c4ccc[nH]4)ccc23)C2CCCCC2)C12CCCCC2,XINPPWWFTSSEIR-UHFFFAOYSA-N
-rxn:2:123438:122707,CN(C1CCCC1)C(CNC1CCC2CC1C2)C(C)(C)C,LLCGKHRHJOCAOB-UHFFFAOYSA-N
-rxn:2:123472:141610,CC(NCC(C1CC1)N(C)C1CCN(C)CC1)c1ccc(S(=O)(=O)[O-])cc1,INJGNZYYPFQHOJ-UHFFFAOYSA-M
-rxn:2:123796:144237,CC(=O)c1cncc(C2C(CSC(C)Nc3cncnc3OC3CCCC3N(C)C)C2(F)F)c1,RAXGETRFYNFWSQ-UHFFFAOYSA-N
-rxn:2:123983:171582,CCCC(C(Nc1ncccc1OCC1CCCCC1)c1ccc2c(c1)CCCC2)N1CCCC1,LDWUAFIPNHROTA-UHFFFAOYSA-N
-rxn:2:125690:124368,CCOCC(C)N1CCC(NC(c2ccc(C3CC3)cc2)C2CC2)CC1,OEYFMKRGZFHFSK-UHFFFAOYSA-N
-rxn:2:125690:152762,CCOCC(C)N1CCC(NC(CC2CCCC2)c2c[nH]c3ccccc23)CC1,HQVRTPDNWMUFMZ-UHFFFAOYSA-N
-rxn:2:125690:171575,CCOCC(C)N1CCC(NC2CCCc3ccc(-c4ccccc4C4CC4)cc32)CC1,IDAXGIWFPBPQDA-UHFFFAOYSA-N
-rxn:2:125883:147968,CCCCC(/N=c1\ncc2c([nH]1)CC(C)(C)CC2=O)NCC1C(c2cnccc2OC)C1(F)F,QCTGPCURIYKGDN-UHFFFAOYSA-N
-rxn:2:126170:136646,CCCC(C(Nc1ccn(COC2CCCCC2)n1)c1ccc2c(c1)CCC2)N1CCCC1,HAWWDKPSCKMLHH-UHFFFAOYSA-N
-rxn:2:126170:149615,CCCC(C(Nc1cc(C2CCC2)nn1-c1ccncc1OC)c1ccc2c(c1)CCC2)N1CCCC1,YHIHGSRSFOUBOB-UHFFFAOYSA-N
-rxn:2:126170:164143,CCCC(C(Nc1cc(C2CCC2)nn1-c1ccc(OC)nc1)c1ccc2c(c1)CCC2)N1CCCC1,MAQVCHVMUAFUGC-UHFFFAOYSA-N
-rxn:2:126494:148300,COCC1CN(c2ccccc2NC(c2ccc3c(c2)COCO3)c2ccc3c(c2)COCO3)CC1(C)C,JKXHYBOHOXGIAS-UHFFFAOYSA-N
-rxn:2:126744:171582,CCCC(C(Nc1cc(OCC2CCCCC2)ccn1)c1ccc2c(c1)CCCC2)N1CCCC1,PKCCNBMIOPOCIY-UHFFFAOYSA-N
-rxn:2:128356:147968,CCCCC(/N=c1\ncc2c([nH]1)CC(C)(C)CC2=O)NCCC1C(c2cnccc2OC)C1(F)F,KLPRMWATPAOQRM-UHFFFAOYSA-N
-rxn:2:129471:133414,COCCC(Nc1ccccc1OC1CCN(C2COC2)CC1)C(C)C,CHZZANSTYZYOLN-UHFFFAOYSA-N
-rxn:2:133006:143818,CC(CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)Nc1nccc(C2CCCN2C2CCCCC2)n1,NQYYRYNMRGXICI-UHFFFAOYSA-N
-rxn:2:133629:145784,CCOC1CCC(N2CCC(NC3c4cccc5cccc(c45)CC3(C)C)CC2)CC1,QEAZNUXXBRNROT-UHFFFAOYSA-N
-rxn:2:133629:156138,CCOC1CCC(N2CCC(NC(c3ccc4c(c3)CCCC4)c3ccoc3C)CC2)CC1,VPZXPPFZOMYXMG-UHFFFAOYSA-N
-rxn:2:134713:171582,CCCC(C(Nc1ccc(OCC2CC2)nn1)c1ccc2c(c1)CCCC2)N1CCCC1,KBWBMIFUGUENBT-UHFFFAOYSA-N
-rxn:2:135794:142605,CCC1CCC(CNC(c2c[nH]c3ncnn3c2=O)C(C)C)(N(C)C(C)C)CC1,HLZYRABIJVRBPL-UHFFFAOYSA-N
-rxn:2:136646:171582,CCCC(C(Nc1ccn(COC2CCCCC2)n1)c1ccc2c(c1)CCCC2)N1CCCC1,OTTAUKPOKXHJRP-UHFFFAOYSA-N
-rxn:2:139138:139988,CC1(C)C2CCC1(CS(=O)(=O)[O-])C(NC(c1cccc(S(C)(=O)=O)c1)C1CC1)C2,VMGTWBPBGNTUQD-UHFFFAOYSA-M
-rxn:2:66038:162583,CS(=O)(=O)OC1CCC(NC(c2ccc(-c3cnn(S(C)(=O)=O)c3)cc2)C2CC2)CC1,DLPWGOCLYUFFAZ-UHFFFAOYSA-N
-rxn:2:67345:171582,CCCC(C(Nc1cc2c(cc1OC)OCO2)c1ccc2c(c1)CCCC2)N1CCCC1,PDNZBPGFXIGULR-UHFFFAOYSA-N
-rxn:2:67412:92992,CC(C)C1(CNC2C[C@H]3CC[C@]2(CS(=O)(=O)F)C3(C)C)CC1,NEZFMPYHNBCOAC-SNVMCYLTSA-N
-rxn:2:68813:118444,CCS(=O)(=O)OC[C@@H]1CCC(NCC(N(C)OC)C23CC4CC(CC(C4)C2)C3)C1,CPRWOAXLFUIVOZ-CFUZRYPRSA-N
-rxn:2:68924:115621,CC(CCS(=O)(=O)c1ccccc1)NCC(C)C12CC3CC(C1)CC(N(C)C)(C3)C2,BVXNBDOETLQUCV-UHFFFAOYSA-N
-rxn:2:69400:104175,COCC1CN(c2ccc(NC(CC(C)C)c3ccc4c(c3)CCCC4)cn2)CC1(C)C,CYDWZQCFWNVBCN-UHFFFAOYSA-N
-rxn:2:69566:148296,CN(C)C1(CNC2CCC(c3ccc(S(C)(=O)=O)cc3)CC2)CN2CCC1CC2,LAXNKRJEYURZOB-UHFFFAOYSA-N
-rxn:2:70004:121051,CCOCCC(Nc1ccc(N2CCN(CC(C)C)CC2)nc1)C1CCCC1,QNRRDIQFGCZHNA-UHFFFAOYSA-N
-rxn:2:70683:112657,COCc1cc(OS(=O)(=O)F)ccc1NC1CCN(c2ccc(C3CCN(C)C3)nn2)C1,YBICBEYKDBTYLC-UHFFFAOYSA-N
-rxn:2:70683:120955,COCc1cc(OS(=O)(=O)F)ccc1NC1CCN(C2CC(F)(F)C2)CC1,LTNCGUVOKFIUND-UHFFFAOYSA-N
-rxn:2:71988:171582,CCCC(C(Nc1cccnc1OCC1CCN(C)CC1)c1ccc2c(c1)CCCC2)N1CCCC1,HWIPQCMOCAHJOL-UHFFFAOYSA-N
-rxn:2:72663:75953,CCCN(C)CC(NCC1(S(=O)(=O)CC)CCOCC1)c1cccs1,NILFJQQCVARELD-UHFFFAOYSA-N
-rxn:2:73581:125690,CCOCC(C)N1CCC(NC(c2cccc(C3CC3)c2)C2CC2)CC1,BERVVTOZVXTPMJ-UHFFFAOYSA-N
-rxn:2:73980:156138,COCCCN1CCC(C)(C)C(NC(c2ccc3c(c2)CCCC3)c2ccoc2C)C1,OXQLQCHSGGZXHA-UHFFFAOYSA-N
-rxn:2:74148:84015,CC1(C)C2CC[C@]1(CS(=O)(=O)[O-])C(NCC1(S(C)(=O)=O)CC1)C2,DFKAKDAFWXIOFU-QOZQQMKHSA-M
-rxn:2:74888:167294,CC(NCC(C1CCOC1)N1CCC(N(C)C)CC1)c1ccc(-c2cnc3[nH]c(=O)[nH]c3c2)s1,AENJCVIKCBUBMA-UHFFFAOYSA-N
-rxn:2:74951:104175,COCC1CN(c2ccc(NC(C)c3cc4c5c(c3)CCCCC5CCCC4)cn2)CC1(C)C,SNHWUEPMFJQWHY-UHFFFAOYSA-N
-rxn:2:75003:142605,CC(C)C(CN(C)C1CCN(C)CC1)NC(c1c[nH]c2ncnn2c1=O)C(C)C,QKUXHQSQDPSRAU-UHFFFAOYSA-N
-rxn:2:77097:84594,CN(C1CCC(N[C@@H](C2CCC2)C2CC2)CC1)C(C)(C)C,KTXPIGMWYVEJDI-ABHNRTSZSA-N
-rxn:2:77257:139138,CC1(C)C2CCC1(CS(=O)(=O)[O-])C(NC(c1cccc(S(C)(=O)=O)c1)C1CCC1)C2,CZMNUPLWECIAPU-UHFFFAOYSA-M
-rxn:2:77613:142225,COCC(NC1CCN(C2CCc3ccccc3C2)CC1)c1ccc2c(c1)CCC(C)(C)O2,FMXQJHYTIASOAL-UHFFFAOYSA-N
-rxn:2:78888:142605,CCCN1CCC(C)N(C)C(CCNC(c2c[nH]c3ncnn3c2=O)C(C)C)C1,GCBCSFZXVSMXBU-UHFFFAOYSA-N
-rxn:2:78949:91160,CC(C1CC1(F)F)n1ncc(C2CC2)c1NC1CCC(N(C)CCN(C)C)CC1,RDBNWVZGPBFTOH-UHFFFAOYSA-N
-rxn:2:79124:118088,CC(=O)c1sccc1C1C(CSC(C)NCC2(S(=O)(=O)C3CCCC3)COC2)C1(F)F,VISIFZVAEUMXDV-UHFFFAOYSA-N
-rxn:2:79124:147728,CC(=O)c1ccc(C2C(CSC(C)NCC3(S(=O)(=O)C4CCCC4)COC3)C2(F)F)cn1,ORHLSAWEVRUZQM-UHFFFAOYSA-N
-rxn:2:79124:155396,CC(=O)c1ccc(C2C(CSC(C)NCC3(S(=O)(=O)C4CCCC4)COC3)C2(F)F)nc1,DKLGSXZHNKQSBP-UHFFFAOYSA-N
-rxn:2:81081:125690,CCOCC(C)N1CCC(NC(c2ccc(C3CC3)cc2)C2CCC2)CC1,SDDKGRIRYMYMOR-UHFFFAOYSA-N
-rxn:2:82213:136990,COCC(Nc1cccc2c1CN(C1CCN3CCCC13)C2)c1cc(C)ccc1OC(C)C,BWLJGZJZSGZVSJ-UHFFFAOYSA-N
-rxn:2:82213:87437,COCC(Nc1ccc2c(c1)CCN(C1CCOCC1)CC2)c1cc(C)ccc1OC(C)C,WROBEAHXGUKERY-UHFFFAOYSA-N
-rxn:2:82250:81873,CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)F)C(NCC1(S(=O)(=O)C3CC3)CC1)C2,ZHWQTEZAPAYFBP-XTIDWKMFSA-N
-rxn:2:83038:126170,CCCC(C(Nc1ccc(OCC2CCCCO2)nc1)c1ccc2c(c1)CCC2)N1CCCC1,YWPSFWVOWQBGRJ-UHFFFAOYSA-N
-rxn:2:83263:128132,CC1CC(Nc2cncc(OS(=O)(=O)F)c2)CCN1CCCCN(C)C,SNSCJTJYGJJAHS-UHFFFAOYSA-N
-rxn:2:83490:106853,CCCC(C(Nc1cccnc1N1CCC(COC)CC1)c1ccc2c(c1)CCO2)N1CCCC1,FSRBLRQQCJVZAG-UHFFFAOYSA-N
-rxn:2:83490:149615,CCCC(C(Nc1cc(C2CCC2)nn1-c1ccncc1OC)c1ccc2c(c1)CCO2)N1CCCC1,JLZUWQXIBOLFHU-UHFFFAOYSA-N
-rxn:2:83893:125726,CCN1CCC(N(C)C(CNC(c2ccccc2)c2cccnc2OC)C(C)(C)C)CC1,BWUAFEOTTPSSOG-UHFFFAOYSA-N
-rxn:2:84015:139988,CC1(C)C2CC[C@]1(CS(=O)(=O)[O-])C(NC(c1cccc(S(C)(=O)=O)c1)C1CC1)C2,VMGTWBPBGNTUQD-YHSMHHJSSA-M
-rxn:2:84564:126170,CCCC(C(Nc1ccn(COC2CCCC2)n1)c1ccc2c(c1)CCC2)N1CCCC1,RGAODOKCRWPXIS-UHFFFAOYSA-N
-rxn:2:84564:171582,CCCC(C(Nc1ccn(COC2CCCC2)n1)c1ccc2c(c1)CCCC2)N1CCCC1,QIFDGRHPZPFTQU-UHFFFAOYSA-N
-rxn:2:84594:110500,CN(C1CCC(NC(C2CCCC2)C2CCCC2)CC1)C(C)(C)C,KAXSGMMNIWZLSW-UHFFFAOYSA-N
-rxn:2:86439:106789,O=S1(=O)CCC(CCNC2CC3CCC(C2)N3C2CC2)(n2cccn2)CC1,FKITZXXLERTZAZ-UHFFFAOYSA-N
-rxn:2:86839:110824,CC(CCN(C)C1CCN(C)CC1)NCC1(S(=O)(=O)c2ccccc2)CC1,UJJQUCQBXBZZAO-UHFFFAOYSA-N
-rxn:2:87168:136737,CCOCC1CCN(c2ccc(NC3CCN(C(C)C4CC4)CC3)cc2)CC1,YKQAMRPKZPOHNN-UHFFFAOYSA-N
-rxn:2:88200:142268,COCC1CN(c2ccc(NC(C#CN3CCOCC3)c3ccc4c(c3)OCO4)cc2)CC1(C)C,HCRSBWHZHYVPRT-UHFFFAOYSA-N
-rxn:2:88200:148300,COCC1CN(c2ccc(NC(c3ccc4c(c3)COCO4)c3ccc4c(c3)COCO4)cc2)CC1(C)C,XNHBKTGELXNRPU-UHFFFAOYSA-N
-rxn:2:88214:122520,CCCC1CCC(C2CCC(Nc3ccc(C4(OC)COC4)cc3)CC2)CC1,IOZIBDAXFYYLKC-UHFFFAOYSA-N
-rxn:2:88388:117066,CC(NOC1CCC(N(C)C2CCCC2)CC1)c1ccc(OS(=O)(=O)[O-])cc1,YTBZMDPQGJBSIF-UHFFFAOYSA-M
-rxn:2:89452:97794,CN1CCC(C(N(C)C)C2(CNC(CS(=O)(=O)[O-])c3ccccc3)CC2)CC1,ORMSEZGFICQPCG-UHFFFAOYSA-M
-rxn:2:89607:170642,CCOC1(CNC(c2c[nH]c3cc(-c4ccc[nH]4)ccc23)C2CCCCC2)CCC(CC)CC1,YEHHSYSQZNAPHF-UHFFFAOYSA-N
-rxn:2:90147:115663,CS(=O)(=O)CCN1CCCCC1CNC(c1ccc(S(=O)(=O)F)cc1)C1CC1,CAXKEIMZHQCDDL-UHFFFAOYSA-N
-rxn:2:90277:142268,COC1CN(c2ccccc2NC(C#CN2CCOCC2)c2ccc3c(c2)OCO3)CC1OC,LANAHROOERCPCB-UHFFFAOYSA-N
-rxn:2:91542:124533,COCC1C(F)(F)C12CCC(Nc1c(C(C)C)n[nH]c1C(C)C)CC2,MSVMPOXFBCIUSZ-UHFFFAOYSA-N
-rxn:2:95370:114454,CCS(=O)(=O)C(CNCCCc1ccc(S(=O)(=O)F)cc1)C1CCCCC1,DQUUHMOGTXYVBQ-UHFFFAOYSA-N
-rxn:2:96156:143818,CC(CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)NC1CCCN(c2cc(C3CCOC3)ncn2)C1,VXJMEASIAQZYPZ-UHFFFAOYSA-N
-rxn:2:96512:117581,CS(=O)(=O)n1ccc(CNC2CC3C(C2)C2CN(C4CC4)CC3C2(F)F)c1,LBUFZNIGLUWHIE-UHFFFAOYSA-N
-rxn:2:96642:140873,CCCC(NC1CCN(c2ccccc2COC)CC1)C1CCN(C2CC2)CC1,XCSPBLVCCDVCRM-UHFFFAOYSA-N
-rxn:2:97909:170332,CCN1CCCC1c1n[nH]c2c1C(NC(C)c1ccc(C)c(-c3ccc(OCC4CC4)nc3)c1)CCC2,KNHHQQYXDRVKFP-UHFFFAOYSA-N
-rxn:2:98164:134989,CC(NCC1(S(=O)(=O)C2CCCCC2)CC1)c1cccc(S(=O)(=O)F)c1,NSFLDQBLVYRRDB-UHFFFAOYSA-N
-rxn:2:98377:170642,CCCOC1(CNC(c2c[nH]c3cc(-c4ccc[nH]4)ccc23)C2CCCCC2)CCCCCC1,BROQVGYPYMBKCX-UHFFFAOYSA-N
-rxn:2:98947:136378,CN(C)C(c1cccc(NC2CCN(CCOS(C)(=O)=O)CC2)c1)C1CCC1,FRBOZARMCQUXCM-UHFFFAOYSA-N
-rxn:2:100259:106485,COc1ccc(OC)c(C(CC2=NCCO2)NCC(c2ccco2)N2CCOCC2)c1,NMKYQIQTZKGLAE-UHFFFAOYSA-N
-rxn:2:101079:158674,CCC(NC1(CCCOC)CCCCCC1)c1ccc(-c2ccn(C3COC3)n2)cc1,QZTSQMZZKOOMPT-UHFFFAOYSA-N
-rxn:2:101693:131288,CC1(C)CCCC(NC2C3CC2CN(C(C)(C)C)C3)CC1,MCZSNCVLLJRILM-UHFFFAOYSA-N
-rxn:2:102988:110073,CCC[C@H]1CC[C@H](CCC2CCC(Nc3ccc(CN(C)C)cc3C)CC2)CC1,VTCZAUOTMHUSRY-KSSPTLSMSA-N
-rxn:2:102988:120061,CCC[C@H]1CC[C@H](CCC2CCC(Nc3cc(CN(C)C)ccc3C)CC2)CC1,IWTRPYMQZFNUIZ-KSSPTLSMSA-N
-rxn:2:103283:110503,CCC(Nc1cccc(COCC2CCCO2)c1)C1CCN(C(C)C)CC1,XKPXQLKHOPBPDN-UHFFFAOYSA-N
-rxn:2:104146:118444,CCS(=O)(=O)OC[C@@H]1CCC(NCC(CC2C3CC4CC(C3)CC2C4)OC)C1,XHDIVKLOUQJDBK-SIXRODGGSA-N
-rxn:2:105652:148220,COc1cccc(C(Nc2ccc3c(c2)OCCOCCOCCO3)c2cc(C)cc3c2OCCCC3)c1,NPFDKHWNCAZUBQ-UHFFFAOYSA-N
-rxn:2:105800:156343,CC(=O)c1ccc(C2C(CCSC(C)Nc3cc(=O)[nH]n3C(C)C3CCCOC3)C2(F)F)cn1,KCYLEQJAGPNAIM-UHFFFAOYSA-N
-rxn:2:106485:104983,COc1ccc(OC)c(C(CC2=NCCO2)NCC(c2ccsc2)N2CCCCCC2)c1,OZQUCYPJXFXIJP-UHFFFAOYSA-N
-rxn:2:106485:114223,COc1ccc(OC)c(C(CC2=NCCO2)NCC(c2ccco2)N2CCSCC2)c1,FHNHSAIVPYTNIZ-UHFFFAOYSA-N
-rxn:2:107617:150918,C=C=CC(NC1(c2n[nH]c(C3CC3)n2)CCC(CC)CC1)c1ccccc1C#Cc1ccc(OC)cc1,UUZXGTQHVKGBCR-UHFFFAOYSA-N
-rxn:2:109467:151812,CN(C1CC1)C1(CNC(CSc2n[nH]c(=O)[nH]c2=O)c2cccs2)CN2CCC1CC2,FQFMGEFZKPSZCT-UHFFFAOYSA-N
-rxn:2:109467:158670,CN(C1CC1)C1(CNC2CC(n3[se]c4cccnc4c3=O)C2)CN2CCC1CC2,HMURBCPOOYRGCO-UHFFFAOYSA-N
-rxn:2:109467:163909,CN(C1CC1)C1(CNC2CC(n3[se]c4ncccc4c3=O)C2)CN2CCC1CC2,GEEHMJWUBHZISL-UHFFFAOYSA-N
-rxn:2:109579:123260,CCCCC1CCC(c2cc(NC3CCC(c4ccccn4)(N(C)C)CC3)[nH]n2)CC1,QGYRLRSDIVEKAC-UHFFFAOYSA-N
-rxn:2:112507:149812,C=C=Cc1cncc(C(NCCN2CCC3(CC2)CC(OC)CCO3)c2ccccc2)c1,POVIEUQFHDCYRL-UHFFFAOYSA-N
-rxn:2:112507:173118,CCC(NCCN1CCC2(CC1)CC(OC)CCO2)c1ccc(-c2cc3cn[nH]c3cc2C)cc1,OEBWTCBAVZUAMS-UHFFFAOYSA-N
-rxn:2:114348:120191,CC(C)N1CCCC(c2ccnc(NC3CC4(CC(COCc5ccccc5)C4)C3)n2)C1,NAKFRKMIRIUXSB-UHFFFAOYSA-N
-rxn:2:116313:145352,CCCC(NC1CCC(N(C)OCC)CC1)c1ccc(-c2ccn(C3COC3)n2)cc1,XBAUBTWZZOAJGX-UHFFFAOYSA-N
-rxn:2:116538:110248,COc1ccc2c(c1)C(NCC(C)(C)c1ccc(C3CCCC3)cc1)CC1(CCCC1)O2,WQJDDZCEDGYJSN-UHFFFAOYSA-N
-rxn:2:117704:151660,CCC1CCCN(CC(Nc2ccc(CN(CC)C3CC3)c3ncccc23)c2cc(C)[nH]c2C)C1,GXZROVLVCKBHPZ-UHFFFAOYSA-N
-rxn:2:117752:151660,CCC1CCN(CC(Nc2ccc(CN(CC)C3CC3)c3ncccc23)c2cc(C)[nH]c2C)CC1,BDCKUCOPCFQZLT-UHFFFAOYSA-N
-rxn:2:118245:140054,CCCOc1c(C(C)NC2(c3ccccc3OC)CCC(F)(F)CC2)cnn1C(C)C,WMFFQOMAJVWYFG-UHFFFAOYSA-N
-rxn:2:119651:125747,CCC(NC1CCN(Cc2c(OC)cccc2OC)CC1)C(c1ccco1)N1CCOCC1,LLMSKCVHHDUMLQ-UHFFFAOYSA-N
-rxn:2:121070:136625,CCC1CCC(n2cc(NC(C)c3cccc(OCCN4CCCCC4)c3)nn2)CC1,KUIGMODNJAQAGO-UHFFFAOYSA-N
-rxn:2:121276:156343,CC(=O)c1ccc(C2C(CCSC(C)NC3(c4ncnn4C)CCCC3)C2(F)F)cn1,BFLUWWRNMZINLT-UHFFFAOYSA-N
-rxn:2:122408:137912,CC(=O)c1cn([C@H]2C[C@H](CSC(C)NCC(F)(F)CN3CCOCC3C)C2)nn1,KGAJKVPCMVPUEE-HZGUWWOASA-N
-rxn:2:122573:171582,CCCC(C(NCC1CCCCN(c2ccc(OC)cc2)C1)c1ccc2c(c1)CCCC2)N1CCCC1,UCELOEOUKZVVBU-UHFFFAOYSA-N
-rxn:2:124284:161479,Cc1nnc(C2CCC(F)(F)CC2)n1CCNC(C)CCC1(c2ccc3[nH]c(=O)[nH]c3c2)COC1,XLBWJRVJGQYGRC-UHFFFAOYSA-N
-rxn:2:124386:120191,CCC(C)n1ncc(C2CCCC2)c1NC1CC2(CC(COCc3ccccc3)C2)C1,XPYLAYDLTUKNIK-UHFFFAOYSA-N
-rxn:2:125070:131786,CCCC1(c2nn(C)c(NC(C)c3cccc(C(F)C4CCN(C)CC4)c3)c2C)CC1,IENKMKPLUITWEE-UHFFFAOYSA-N
-rxn:2:125965:121598,CS(=O)(=O)c1cccc(C(N[C@]23C[C@@]4(C)C[C@](C)(C[C@](C)(C4)C2)C3)C2CC2)c1,YBMULUSLEZXHDQ-JERISSPHSA-N
-rxn:2:125965:148296,CS(=O)(=O)c1ccc(C2CCC(N[C@]34C[C@@]5(C)C[C@](C)(C[C@](C)(C5)C3)C4)CC2)cc1,GCRCDUNYIHHODM-CDVRHWIGSA-N
-rxn:2:125965:151416,CS(=O)(=O)c1ccc(CC2CCC(N[C@]34C[C@@]5(C)C[C@](C)(C[C@](C)(C5)C3)C4)CC2)cc1,AHSAWPVMDQOOCM-PHZJTKOTSA-N
-rxn:2:125965:167745,CS(=O)(=O)c1ccc(C(N[C@]23C[C@@]4(C)C[C@](C)(C[C@](C)(C4)C2)C3)C23CC(C2)C3)cc1,CBKYWIUEEGKRFE-UEEIAXAFSA-N
-rxn:2:131805:169217,COC1C(NC2CCOc3c(-c4ccc(OC5CC5)cc4)cc(C)cc32)C12CCOCC2,GWJGIWFDUPQUCY-UHFFFAOYSA-N
-rxn:2:132431:142888,CCCC(C)(NC1CC2(CCC(F)(F)CC2)Oc2cc(OC)ccc21)c1nc(C)c(-c2ccco2)[nH]1,WDWJMAMYBXVRQS-UHFFFAOYSA-N
-rxn:2:132431:149741,CCCC(C)(NC1CC2(CCC(F)(F)CC2)Oc2ccc(OC)cc21)c1nc(C)c(-c2ccco2)[nH]1,DHZZREUFAQPVCV-UHFFFAOYSA-N
-rxn:2:136205:160547,CC1CCN(CC(F)(F)CNC(Cn2cnc3c2c(=O)n(C)c(=O)n3C)c2ccc[nH]2)CCS1,YLGBUJSEXAACJS-UHFFFAOYSA-N
-rxn:2:139310:159916,COc1ccc(C(NCC2CC(OS(C)(=O)=O)C2)C23CN4CN(CN(C4)C2)C3)cc1,IQFBOCVTNMDJIJ-UHFFFAOYSA-N
-rxn:2:140359:166522,CC(C)CCC(NCC(F)(F)CN1CCSC(C)C1C)c1ccc2[nH]c(=O)[nH]c2c1,CPKNGDKBLRVPRT-UHFFFAOYSA-N
-rxn:2:140524:171582,CCCC(C(Nc1cc2c(cc1OC)OCCCO2)c1ccc2c(c1)CCCC2)N1CCCC1,QTXQRZNUYYOELX-UHFFFAOYSA-N
-rxn:2:66905:86186,CN(C1CCCCC1)C1CCC(NC2C[C@@H]3CC[C@@]2(C)C3(C)C)CC1,JIUZSTZFKFDMAH-LXDZHPFBSA-N
-rxn:2:66991:171582,CCCC(C(NC1CN(Cc2ccc(OC)cc2)C1)c1ccc2c(c1)CCCC2)N1CCCC1,MZCOCFUGSPCFKO-UHFFFAOYSA-N
-rxn:2:67221:120191,Cc1c[nH]c(C2CCN(CCNC3CC4(CC(COCc5ccccc5)C4)C3)CC2)n1,MVWWWEMWESUIKE-UHFFFAOYSA-N
-rxn:2:67571:126642,COc1cccc2c1CC(C)(C)CC2NC(CC1CCCC1)C1COc2ccccc2O1,RUCKGLLZTDGARS-UHFFFAOYSA-N
-rxn:2:68277:106485,COc1ccc(OC)c(C(CC2=NCCO2)NCC(c2cccs2)N2CCCOCC2)c1,KTBMPAKUTFHEFO-UHFFFAOYSA-N
-rxn:2:68483:93164,CCC(NC1CCCC[C@H]1c1cccc(OC)c1)C(c1cccnc1)N1CCCOCC1,WILHXROCLZQTOO-IQSBJVTKSA-N
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-rxn:2:68918:102612,COc1cccc2c1C(NC(c1ccc3c(c1)OCCO3)C1CCOCC1)CC(C)(C)O2,TXKYJNLQSHUKMF-UHFFFAOYSA-N
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-rxn:2:106853:85527,COCC1CCN(c2ncccc2NC(CCN2CCCC(C)C2)c2cc(C)ccc2C)CC1,FLFOALFCEKUCRZ-UHFFFAOYSA-N
-rxn:2:106941:170963,CCCCSC(=N)C(F)(F)c1cccc2c1CCC2Nc1nc(=O)nc(C2(CCC)CC2)[nH]1,RFDXXILGTAXQIZ-UHFFFAOYSA-N
-rxn:2:107594:125747,CCC(NC1CCN(Cc2c(OC)cccc2OC)CC1)C(c1cccnc1)N1CCOCC1,YFYZYYAEERCRHV-UHFFFAOYSA-N
-rxn:2:107895:120015,CCCC(C#CN1CCN(C)CC1)NC(C)CN(C)Cc1csc(C)n1,KFHFLKXFMXXRPK-UHFFFAOYSA-N
-rxn:2:108341:155638,CCCCC[C@H]1CC[C@H](C2CCC(Nc3ccc(OC)nc3C(F)(F)c3nnn[nH]3)CC2)CC1,QPTISBSJNUHBTN-RTWGARKQSA-N
-rxn:2:108479:139721,CC(C)CCC(NCc1nccc(N2CCC(N(C)C)CC2)n1)C(C)C,UNEUWPLOOUIGCT-UHFFFAOYSA-N
-rxn:2:108613:125295,CC(C)(C)C(CNC1CC(CS(=O)(=O)F)C1)C1C2CC3CC(C2)CC1C3,ISSVEMZYXDYHMR-UHFFFAOYSA-N
-rxn:2:108965:143818,CC(C)Cc1ocnc1CN1CCC(NC(C)CC(c2ccc3[nH]c(=O)[nH]c3c2)N(C)C)CC1,RALUASDHLIWEEV-UHFFFAOYSA-N
-rxn:2:109467:110799,Cc1cc(=O)n(CCCC(C)NCC2(N(C)C3CC3)CN3CCC2CC3)cn1,IZNGHXCMPQSLCR-UHFFFAOYSA-N
-rxn:2:109467:144472,CCCC(NCC1(N(C)C2CC2)CN2CCC1CC2)c1ccc(-c2ccc3n[nH]c(=O)n3n2)cc1,TZRYIRQARKMNBT-UHFFFAOYSA-N
-rxn:2:109818:136378,Cc1cccc(O[C@H]2C[C@H](NC3CCN(CCOS(C)(=O)=O)CC3)C2)n1,DRPSVQVHTXQALT-QAQDUYKDSA-N
-rxn:2:110151:134221,CCC(Nc1c(C)nc(N2CCN(C)CC2)nc1C)c1cnc(N2CCN(C)CC2)cc1C,KKKHYRKOCPSMRP-UHFFFAOYSA-N
-rxn:2:110717:76539,CCC1CCCN1c1ncc(NC(C)CCCN(C)C2CCCC2)cc1C,UUHYGWXPBKQMLN-UHFFFAOYSA-N
-rxn:2:111039:114498,CCC(CN1CCC(N(C)C)CC1)NCC(c1nc(C(C)C)cs1)C(C)C,BCMHRERHKWPYJZ-UHFFFAOYSA-N
-rxn:2:111610:155159,CS(=O)(=O)c1ccc(C(CC2=NCCO2)NC2(COS(=O)(=O)[O-])CCCC2)cc1,RBVPHJKYCSUTOY-UHFFFAOYSA-M
-rxn:2:111859:130197,CCC(NOCCN(C)C(C)C)c1ccc(N2CCN(C)CC2)nc1C,LRDXXCSJOSTUCC-UHFFFAOYSA-N
-rxn:2:111921:118088,CCC(C)(NC(C)SCC1C(c2ccsc2C(C)=O)C1(F)F)c1noc(C2CCCOC2)n1,PUKJGECOKKMKAN-UHFFFAOYSA-N
-rxn:2:112062:98788,CCC(CN(C)C1CCN(C)CC1)NCC1CCCN(C2CC2)C1c1ccnn1C,PMYOPKTYUOXHNM-UHFFFAOYSA-N
-rxn:2:113378:125567,CC#CC#CC(NOCC1CCN(C2CCS(=O)(=O)C2)CC1)c1ccco1,KBGILXUKMXIANF-UHFFFAOYSA-N
-rxn:2:113527:110698,CC(CCCN(C)C(C)C)NCc1ccnc(N2CCC(N(C)C)CC2)n1,XTPQFCSPTNLSPA-UHFFFAOYSA-N
-rxn:2:113527:135989,CCC(NCc1ccnc(N2CCC(N(C)C)CC2)n1)C(C)CC(C)C,JEQFPFCGLXHGNC-UHFFFAOYSA-N
-rxn:2:113527:139721,CC(C)CCC(NCc1ccnc(N2CCC(N(C)C)CC2)n1)C(C)C,UNGLGPKXBYCKTJ-UHFFFAOYSA-N
-rxn:2:114498:129237,CCC(CN1CCC(N(C)C)CC1)Nc1c(C(C)C)cncc1C(C)C,LHUKEQKFKQXGLE-UHFFFAOYSA-N
-rxn:2:114498:129954,CCC(CN1CCC(N(C)C)CC1)NC(Cc1nccn1C)C(C)C,RFTHJSLCPLOOGG-UHFFFAOYSA-N
-rxn:2:114498:130321,CCC(CN1CCC(N(C)C)CC1)NCCCc1csc(C(C)C)n1,JTVYOFCRUQXANO-UHFFFAOYSA-N
-rxn:2:114498:130468,CCC(CN1CCC(N(C)C)CC1)NCC(c1ccnn1C)C(C)C,WZNXTQVLHLMUPB-UHFFFAOYSA-N
-rxn:2:114498:134342,CCC(CN1CCC(N(C)C)CC1)Nc1cc(C(C)C(C)C)nn1C,NUEFRDSTZSEFJA-UHFFFAOYSA-N
-rxn:2:114498:142595,CCC(CN1CCC(N(C)C)CC1)NC(C#Cc1cnc2c(ccn2C)n1)C(C)C,XMANDBSDKVIPJF-UHFFFAOYSA-N
-rxn:2:114498:143456,CCC(CN1CCC(N(C)C)CC1)NC(c1nc2cc(C)ccc2n1C)C(C)C,DKNWGYPQPIKFJT-UHFFFAOYSA-N
-rxn:2:114498:149169,CCC(CN1CCC(N(C)C)CC1)NCC(c1ccc2c(c1)ncn2C1CC1)N(C)C,ZERHLNOYUJKQKR-UHFFFAOYSA-N
-rxn:2:114498:163384,CCC(CN1CCC(N(C)C)CC1)NC(c1nc2cnccc2n1C1CC1)C(C)C,OLHJSJVVHKAUPQ-UHFFFAOYSA-N
-rxn:2:114498:164737,CCC(CN1CCC(N(C)C)CC1)Nc1c(C(C)C)nc2sc3c(n12)CCC(C)C3,HATFMMPCRVYRSS-UHFFFAOYSA-N
-rxn:2:114513:110753,CCC(NC(CC)C1CCN(c2ccccc2OC)C1)C1CCN(c2ccc3c(c2)OCO3)C1,AHGNYARBMVWQRH-UHFFFAOYSA-N
-rxn:2:114513:150606,CCC(NC(CCN1CCCCC1)c1ccc2[nH]c(C)nc2c1)C1CCN(c2ccccc2OC)C1,XGYVXOXZMZRMGI-UHFFFAOYSA-N
-rxn:2:114613:109800,CCC(C(Nc1cnc(N(C)[C@@H]2COC[C@H]2F)nc1)c1ccccc1)N1CCCOCC1,STIQLVDFHYRFBD-TXHBJKIWSA-N
-rxn:2:114613:134221,CCC(Nc1cnc(N(C)[C@@H]2COC[C@H]2F)nc1)c1cnc(N2CCN(C)CC2)cc1C,RBWVICKPWGLTJJ-GIBKCMNESA-N
-rxn:2:114642:121864,CCOc1ncc(C2C(CNC3CC[C@H](COS(=O)(=O)CC)C3)C2(F)F)cn1,XSARYTWBBUWDLS-SFLNLBOUSA-N
-rxn:2:114915:95892,COCc1nc(NC(CCN2CCOCC2)c2cccc(OC)c2)nc(N2CCSCC2)n1,JXNJRKIDNGNGFJ-UHFFFAOYSA-N
-rxn:2:114983:95892,CCc1nn(C2CCN(C)CC2)cc1CNC(CCN1CCOCC1)c1cccc(OC)c1,SOKSLJXZFBMAMV-UHFFFAOYSA-N
-rxn:2:115322:74747,CCN1CC2(C1)CN(Cc1ccc(NC3C[C@H]4CC[C@]3(CS(=O)(=O)[O-])C4(C)C)cc1)C2,CHPDOKVAUBJWLG-PBFVZKOQSA-M
-rxn:2:115596:164290,Cc1[nH]c2ccccc2c1C(CN1CCN(C)CC1)NC(C)Cc1nc(C2CCN(C)CC2)c[nH]1,NIKPZPRXLVPZNT-UHFFFAOYSA-N
-rxn:2:115637:125092,CCCC1CCN(c2ccc(NC(C)CC(c3ccccn3)N3CCN(C)CC3)c(OC)n2)CC1,FVBXJCDYFJTRAU-UHFFFAOYSA-N
-rxn:2:116821:130197,CCC(Nc1cnc(OCC2CCN(C)CC2)nc1)c1ccc(N2CCN(C)CC2)nc1C,URWCOQNDFMRYRZ-UHFFFAOYSA-N
-rxn:2:116823:114498,CCC(CN1CCC(N(C)C)CC1)NC(CSc1nccn1C)C(C)C,KSSCHISDRVWPID-UHFFFAOYSA-N
-rxn:2:116962:120015,CCCC(C#CN1CCN(C)CC1)NC1CCN(Cc2ccnn2CC)C1,ITNKMQJXNYEQLA-UHFFFAOYSA-N
-rxn:2:117225:141711,CCC(Nc1ccc(OCCN2CCOCC2)nc1)c1cnc(N2CCN(CC)CC2)c(C)c1,CFZQKESPUNOUEL-UHFFFAOYSA-N
-rxn:2:117236:120331,CCCCCC(NCC1C(c2cccnc2OC)C1(F)F)C1=NCCCC1,OPNLONKBXREUFI-UHFFFAOYSA-N
-rxn:2:118444:121864,CCOc1ncc(C2C(CNC3CC[C@@H](COS(=O)(=O)CC)C3)C2(F)F)cn1,XSARYTWBBUWDLS-YTIJQFLQSA-N
-rxn:2:118779:127911,COCc1cc(N2CCC(NC(CCN3CCOCC3)c3ccc(OC)c(C)c3C)CC2)ncn1,QSKYWFKTDBJEPE-UHFFFAOYSA-N
-rxn:2:119151:85111,CCCC(Nc1ccc(N2CCN(C(C)C)CC2)cc1OC)C1CCCN(C2CC2)C1,MXWJMKCZWRVUGZ-UHFFFAOYSA-N
-rxn:2:119430:143480,CC1Cc2nc(N3CCCCC3)ncc2C(NC2(C(c3ccc4oc(=O)[nH]c4c3)N(C)C)CC2)C1,PZIYHHSNNHEWDG-UHFFFAOYSA-N
-rxn:2:119754:112775,CCC1C(F)(F)C12CCC(Nc1c(C3(C)CC3)c(C)nn1CCN(C)C)CC2,IYHCLBRKDNTUFH-UHFFFAOYSA-N
-rxn:2:119754:135337,CCC1C(F)(F)C12CCC(Nc1c(C(C)C)c(C)nn1CCN(C)C)CC2,QNQJGYVCERQHCR-UHFFFAOYSA-N
-rxn:2:119754:149169,CCC1C(F)(F)C12CCC(NCC(c1ccc3c(c1)ncn3C1CC1)N(C)C)CC2,BXYIORMMTLYYPI-UHFFFAOYSA-N
-rxn:2:119865:103107,CCC(Nc1ccc(N2CCN(C)CC2)nc1OC)c1cnc(N2CCN(C)CC2)c(C)c1,XMCHWLCNBPJWKO-UHFFFAOYSA-N
-rxn:2:119928:114498,CCc1cn(C(C)C(C)C)nc1NC(CC)CN1CCC(N(C)C)CC1,QGSAZKBUTGITPW-UHFFFAOYSA-N
-rxn:2:120015:139351,CCCC(C#CN1CCN(C)CC1)NCC(OC)C(C)C,OKWOIXFLCSRBKW-UHFFFAOYSA-N
-rxn:2:120015:143480,CCCC(C#CN1CCN(C)CC1)NC1(C(c2ccc3oc(=O)[nH]c3c2)N(C)C)CC1,ZFUKFIXOVRTCSY-UHFFFAOYSA-N
-rxn:2:120197:149807,CC(C)C(NCC1(C(C2CCOCC2)N(C)C)COC1)c1ccc(-c2nc3nc[nH]c3c(=O)[nH]2)cc1,PBWAWXBDORCFBI-UHFFFAOYSA-N
-rxn:2:120197:163067,CC(C)C(NCC1(C(C2CCOCC2)N(C)C)COC1)c1ccc(-c2nc3ccsc3c(=O)[nH]2)cc1,VDYKTWVKAMQWQA-UHFFFAOYSA-N
-rxn:2:120261:138126,CC(CCN(C)C(C)C)NCC(F)(F)CN1CCCSCC1,PKWXYDLNQFFUIL-UHFFFAOYSA-N
-rxn:2:120307:145006,Cc1ccc(-c2cnc(CCC(C)NCCCN(C)C3CCN(C)CC3)[nH]2)c(C)c1C,YJCWTHOMKTZJPE-UHFFFAOYSA-N
-rxn:2:120702:138956,CC(C)C1C(F)(F)C12CCC(Nc1cc(CN(C)CC3CCN(C)C3)[nH]n1)CC2,CVJMGODFWIRVJP-UHFFFAOYSA-N
-rxn:2:120858:74747,CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)[O-])C(NCc1cnc(C3C4CC5CC(C4)CC3C5)nc1)C2,KBKLBBRVUXJQND-YUNHICSMSA-M
-rxn:2:121224:161479,CC(CCC1(c2ccc3[nH]c(=O)[nH]c3c2)COC1)NCc1ccnc(N(C)C2CCN(C)CC2)n1,GNWKVIHUTWEDNX-UHFFFAOYSA-N
-rxn:2:121265:131786,CC(NCCCc1ncc(C2CCN(C)C2)[nH]1)c1cccc(C(F)C2CCN(C)CC2)c1,SFRSHBLRLUMPHO-UHFFFAOYSA-N
-rxn:2:122562:122629,CCN1CCN(c2cc(NC(C)c3ccc(OC)c(CN4CCOCC4)c3)ncn2)CC1,PVEGQHOFMMFLHZ-UHFFFAOYSA-N
-rxn:2:123608:124086,CCCCN(C)C1CCCC1Nc1c(C(C)C)cnn1C(C)C(C)C,MZBDVGMMDRFHOJ-UHFFFAOYSA-N
-rxn:2:123774:160789,COCC(NC1(CCC2CCCC2)CCN(C)CC1)c1ccc2[nH]c(C(C)C)nc2c1,XZYKQNZRLAAWII-UHFFFAOYSA-N
-rxn:2:124436:122629,CCN1CCN(c2ncncc2NC(C)c2ccc(OC)c(CN3CCOCC3)c2)CC1,BOLFNKZBEJNLQM-UHFFFAOYSA-N
-rxn:2:124666:122629,CCN1CCN(c2ncc(NC(C)c3ccc(OC)c(CN4CCOCC4)c3)cn2)CC1,VOJSHLCUZBCVNF-UHFFFAOYSA-N
-rxn:2:124857:166525,Cc1ccc2c(C(C)Nc3ccc(CN(C)C4CCCN(C)C4)cn3)c(N3CCOCC3)[nH]c2c1C,FHQDVSBEQPUAFV-UHFFFAOYSA-N
-rxn:2:125295:143964,O=c1ncc(NC2CC(CS(=O)(=O)F)C2)cn1C1C2CC3CC(C2)CC1C3,RKYBNUOKBUCHSA-UHFFFAOYSA-N
-rxn:2:125722:97521,CCc1ccc(N2CCC(OC)CC2)c(NC(CCN2CCOCC2)c2cn(C)nc2C)c1,YLWAAAVHJOQOCL-UHFFFAOYSA-N
-rxn:2:128131:134221,CCC(Nc1cn(C(C)C)nc1N1CCOCC1)c1cnc(N2CCN(C)CC2)cc1C,ZUMLQXYCAQLPKC-UHFFFAOYSA-N
-rxn:2:128131:154947,CC(C)n1cc(NC(CN2CCC(N(C)C)CC2)c2c[nH]c3ccccc23)c(N2CCOCC2)n1,MHBQUUNOXGCXCW-UHFFFAOYSA-N
-rxn:2:128611:136378,CC#CCOc1ccc(CNC2CCN(CCOS(C)(=O)=O)CC2)cn1,YHHCGNAWNJGTOM-UHFFFAOYSA-N
-rxn:2:129411:70600,CCCN1CCC(Oc2ncc(NC(C)c3ccc(OC)c(CN4CCCCCC4)c3)cn2)CC1,FGHQNGOROKEIKR-UHFFFAOYSA-N
-rxn:2:129758:88564,CN1C2CCC1CC(CNC1C3(C)CCC4C3(C)COC41S(=O)(=O)[O-])(N(C)C1CC1)C2,RKTMMJBCHJXISB-UHFFFAOYSA-M
-rxn:2:130552:147764,CC(C)CCCC1CCC(NCC(c2ccc3[nH]c(C4CC4)nc3c2)N(C)C)CC1,MKLUXGLJIPCODC-UHFFFAOYSA-N
-rxn:2:130772:147800,Cc1nc2cc(C(CC(C)NCCN(C)C3CCN(C)CC3)N(C)C)ccc2n1C,KNVHHNFXGNRPRZ-UHFFFAOYSA-N
-rxn:2:130939:167550,COCCN1CCC(F)(CNC(C)c2sc(-c3ccc(N4CCCC4)nc3)nc2C)CC1,WNPIGOQLKWROBW-UHFFFAOYSA-N
-rxn:2:132597:90505,CCn1ncc(C(CN2CCOCC2)Nc2ccc(N3CCOCC3)cc2OC)c1C,ICJOGBKWUAQCJW-UHFFFAOYSA-N
-rxn:2:133266:115693,CCCCS(=O)(=O)c1ccc(C(C)NCC2(N3CCOCC3CC)CCN(C)CC2)cc1,VQSHCIXCTVFEJG-UHFFFAOYSA-N
-rxn:2:134275:84015,CC1(C)C2CC[C@]1(CS(=O)(=O)[O-])C(NCCOC13CC4CC(CC(C4)C1)C3)C2,YCQNRIYEZLDWLB-AXMPYYNQSA-M
-rxn:2:134652:87946,CCC(Nc1ccc(OC)c(CN2CCCCC2)c1)c1cnc(N2CCCCC2)cc1C,XDOLSIATZZOOBR-UHFFFAOYSA-N
-rxn:2:135725:143973,O=S1(=O)CCC(CNC2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)(n2cccn2)CC1,CCVVFORTGRIXQA-UHFFFAOYSA-N
-rxn:2:135789:132685,CCC(C)(CC1C2CC3CC(C2)CC1C3)NC(C)CCS(=O)(=O)C1CC1,NZPUEYDCMMTRGO-UHFFFAOYSA-N
-rxn:2:136378:140755,Cc1cccc(OC2CC(NC3CCN(CCOS(C)(=O)=O)CC3)C2)n1,DRPSVQVHTXQALT-UHFFFAOYSA-N
-rxn:2:136378:141984,COc1ccc([C@@H](C)NC2CCN(CCOS(C)(=O)=O)CC2)c(OC)c1,YYFUGOXTCPKVFO-CQSZACIVSA-N
-rxn:2:136615:127911,COc1ccnc(N2CC(NC(CCN3CCOCC3)c3ccc(OC)c(C)c3C)C2)n1,YJBGLJQLVIRRAL-UHFFFAOYSA-N
-rxn:2:138115:167563,CCc1[nH]c(=O)[nH]c1C(NC(C)CC12CC3CC(C1)CC(N(C)C)(C3)C2)c1ccncc1,SEALPOBQYWDCDM-UHFFFAOYSA-N
-rxn:2:138182:112117,CCCC(Nc1nc(CN2CCC(N(C)C)CC2)cs1)C1CCN(C(C)C)CC1,QJCRONCXEPCLDN-UHFFFAOYSA-N
-rxn:2:138182:87389,CCCCCC(Nc1nc(CN2CCC(N(C)C)CC2)cs1)C1CCOC(C)(C)C1,DZOWBCANGGVVMQ-UHFFFAOYSA-N
-rxn:2:138182:93503,CC(CCCc1ccc2c(c1)OCCO2)Nc1nc(CN2CCC(N(C)C)CC2)cs1,DOEXORDFACCJPS-UHFFFAOYSA-N
-rxn:2:139044:127911,CCOc1ccc(N2CCC(NC(CCN3CCOCC3)c3ccc(OC)c(C)c3C)CC2)nn1,AIDNZXZUIUYHAW-UHFFFAOYSA-N
-rxn:2:139721:132243,CC(C)CCC(NCc1ccnc(N2CCC(N(C)C)CC2)c1)C(C)C,WDZBWLGCXBUQMX-UHFFFAOYSA-N
-rxn:2:139721:141552,CC(C)CCC(Nc1cncnc1OC1CCC(N(C)C)CC1)C(C)C,QROXDBCEZUJNLZ-UHFFFAOYSA-N
-rxn:2:140012:94440,CCC(NCCCN1CCC2(CC(OC)CCO2)C1)c1ccc(N2CCN(C)CC2)nc1,USTVSKMJALUOII-UHFFFAOYSA-N
-rxn:2:140411:163119,COC(CNC(C)CCCCn1cnc2c1c(=O)n(C)c(=O)n2C)C1CCC(F)(F)CC1,HOPNLNNSPVSKHN-UHFFFAOYSA-N
-rxn:2:140815:77846,CCOS(=O)(=O)CC12CCC(CC1NCc1cncc(N3CCN(C)CC3)n1)C2(C)C,SVMCLYKMNSJMHQ-UHFFFAOYSA-N
-rxn:2:140956:161239,CCCN1CC2CN(C)CC(CNC(CSc3n[nH]c(=O)[nH]c3=O)c3cccc(OC)c3)(C1)C2(F)F,OIRYGAPDIGTWEQ-UHFFFAOYSA-N
-rxn:2:142060:155824,CCC(CNC1CCc2ccc(-c3nc4nc[nH]c4c(=O)[nH]3)cc21)N(C)C12CC3CC(CC(C3)C1)C2,PAJFEZYRUJDZTO-UHFFFAOYSA-N
-rxn:2:147764:114498,CCC(CN1CCC(N(C)C)CC1)NCC(c1ccc2[nH]c(C3CC3)nc2c1)N(C)C,OFFIEENBKHIRLS-UHFFFAOYSA-N
-rxn:2:150652:135343,COS(=O)(=O)CC12CCC(CC1Nc1ncc3ccc(=O)n(C4CC4)c3n1)C2(C)C,XKEBQTOENJEMIF-UHFFFAOYSA-N
-rxn:2:155885:98788,CCCC(C)c1n[nH]c(NC(CC)CN(C)C2CCN(C)CC2)c1-c1ccc(C)cc1,LBUOPRYWYKDXFN-UHFFFAOYSA-N
-rxn:2:160382:92162,CCCC(CN1CCN(c2ncccn2)CC1)Nc1cn2cc(C3COCCO3)nc2cc1OC,SPISTTHERATFPG-UHFFFAOYSA-N
-rxn:2:163105:85112,CCS(=O)(=O)c1cc(NC(CN2CCCCCC2)c2cccc(C)c2)cn(C2CC2)c1=O,SNEUPVLZUGYWTK-UHFFFAOYSA-N
-rxn:2:165554:137647,CN1CCC(n2c(=O)oc3cc(NC(CCC(F)N4CCOCC4)c4ccccc4)cnc32)CC1,NONSMCGDDBKTRK-UHFFFAOYSA-N
-rxn:2:166302:112995,Cc1cc(N2CCOCC2)c2ncccc2c1NC(CCN(C)C)c1cnc(N2CCCC2)nc1C,IOTBJURQANIBEQ-UHFFFAOYSA-N
-rxn:2:65964:143818,CC(CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)NC1CCN(c2cc(C3CCOC3)ncn2)CC1,PTOLWOIVODDMOZ-UHFFFAOYSA-N
-rxn:2:66012:114498,CCCc1cn(C(C)C(C)C)nc1NC(CC)CN1CCC(N(C)C)CC1,QDTGOVUJCTZCMF-UHFFFAOYSA-N
-rxn:2:66620:140699,CCCC(CS(=O)(=O)F)NCC(C)(C)SC1C2CC3CC(C2)CC1C3,VOLKWHLEAUKESY-UHFFFAOYSA-N
-rxn:2:66620:88564,CC(C)(CNC1C2(C)CCC3C2(C)COC31S(=O)(=O)[O-])SC1C2CC3CC(C2)CC1C3,SZVJSYJWRFJRHL-UHFFFAOYSA-M
-rxn:2:66799:114498,CCC(CN1CCC(N(C)C)CC1)Nc1c(C2CC2)cnn1C(C)C,ASISITBYOBDHNN-UHFFFAOYSA-N
-rxn:2:66844:138126,CCCCN1CCC(C(CC)NCC(F)(F)CN2CCCSCC2)C1,ODCYYCFOWMDWNL-UHFFFAOYSA-N
-rxn:2:67744:136378,Cc1cccc(O[C@H]2C[C@@H](NC3CCN(CCOS(C)(=O)=O)CC3)C2)n1,DRPSVQVHTXQALT-CALCHBBNSA-N
-rxn:2:68024:120015,CCCC(C#CN1CCN(C)CC1)NCC1(Cc2ccnn2C)CC1,HYKMRDLUNLBWCD-UHFFFAOYSA-N
-rxn:2:68244:147968,CCCCC(/N=c1\ncc2c([nH]1)CC(C)(C)CC2=O)NCC(F)(F)CN1CCOC(C)C1,VGGUTGKMAVWHDP-UHFFFAOYSA-N
-rxn:2:68265:143973,O=S1(=O)CCC(F)(CNC2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)C1,YBFMCUZNSYOVIH-UHFFFAOYSA-N
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-rxn:2:68673:147968,CCCCC(/N=c1\ncc2c([nH]1)CC(C)(C)CC2=O)NCC(F)(F)CN1CCOC(C)C1C,UDYYDEFIJITELN-UHFFFAOYSA-N
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-rxn:2:69472:114498,CCC(CN1CCC(N(C)C)CC1)Nc1cn(C(C)C)nc1CC(C)C,UJNMRRAENOXFCO-UHFFFAOYSA-N
-rxn:2:69487:113527,CC(C)CCC(NCc1ccnc(N2CCC(N(C)C)CC2)n1)C1CC1,AYXZZVSUCZIMNY-UHFFFAOYSA-N
-rxn:2:69530:140411,CCC(CN(C)Cc1csc(C)n1)NCC(OC)C1CCC(F)(F)CC1,MDQDPRROKYDDMA-UHFFFAOYSA-N
-rxn:2:69927:110818,CN1CCC2(C1)Oc1ccccc1C2CNCC1(CCS(C)(=O)=O)CC2CCC1C2,RNZKLUSUAODIDQ-UHFFFAOYSA-N
-rxn:2:70031:135127,CCc1cc(NC(C)c2cnc(N3CCN(C)CC3)nc2C)ccc1N1CCN(C)CC1,DFNSOPRBVWLCMS-UHFFFAOYSA-N
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-rxn:2:70251:128459,CC(C)CCn1cc(C(C)NCCCN2CCC(N(C)C)CC2)cn1,ZFYXPTLRSGVUDT-UHFFFAOYSA-N
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-rxn:2:70685:138484,CC(C)(CC(C)(C)C1C2CC3CC(C2)CC1C3)NC1CC(S(=O)(=O)F)C1,QEUGQXLURILDIY-UHFFFAOYSA-N
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-rxn:2:71202:88564,CC12COC3(S(=O)(=O)[O-])C1CCC2(C)C3N[C@@H]1CCO[C@H]1c1ccc(=O)[nH]c1,FLXPQKGBQJDDQS-HYOSOEKESA-M
-rxn:2:71431:76442,CCN1CCC(N(C)CCC(C)NCC(F)(F)CN2CCSCCC2C)CC1,GDOXQQACBLXNCL-UHFFFAOYSA-N
-rxn:2:71740:161239,CCN1CC2CN(C)CC(CNC(CSc3n[nH]c(=O)[nH]c3=O)c3cccc(OC)c3)(C1)C2(F)F,VNIPIOAPKLNBFV-UHFFFAOYSA-N
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-rxn:2:72213:136378,CN1CC[C@@H](CNC2CCN(CCOS(C)(=O)=O)CC2)[C@@H]1c1cccnc1,ANRIREWJJKBFFV-HKUYNNGSSA-N
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-rxn:2:72878:74747,CN1CCCN(c2ccc(CNC3C[C@H]4CC[C@]3(CS(=O)(=O)[O-])C4(C)C)cn2)CC1,HWEYTDDRTAZPTQ-LROQTYINSA-M
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-rxn:2:73491:138126,CCCC(CN(C)C1CC1)NCC(F)(F)CN1CCCSCC1,SVPPJUNKPXXZLT-UHFFFAOYSA-N
-rxn:2:74747:114717,CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)[O-])C(NC1C(=O)SC13CCC3)C2,UHMWVUZZFVOOKA-TVRADYJESA-M
-rxn:2:74888:142257,CC(NCC(C1CCOC1)N1CCC(N(C)C)CC1)c1ccccc1-c1ccc2n[nH]c(=O)n2n1,QGWSMYGUHYTUAE-UHFFFAOYSA-N
-rxn:2:74888:149807,CC(C)C(NCC(C1CCOC1)N1CCC(N(C)C)CC1)c1ccc(-c2nc3nc[nH]c3c(=O)[nH]2)cc1,LBZNYUPSWKGZGT-UHFFFAOYSA-N
-rxn:2:74888:149921,CC(NCC(C1CCOC1)N1CCC(N(C)C)CC1)c1ccc(-c2nc3ccsc3c(=O)[nH]2)s1,USPGJAMOSBQABL-UHFFFAOYSA-N
-rxn:2:74888:152485,CC(NCC(C1CCOC1)N1CCC(N(C)C)CC1)c1ccc(-c2cnc3[nH]c(=O)[nH]c3c2)cn1,VDSPBRWTCDLWDZ-UHFFFAOYSA-N
-rxn:2:74888:157444,CC(NCC(C1CCOC1)N1CCC(N(C)C)CC1)c1sccc1-c1cc2nccc(=O)n2[nH]1,FXDOZJFOWDOKLX-UHFFFAOYSA-N
-rxn:2:74888:162953,CC(NCC(C1CCOC1)N1CCC(N(C)C)CC1)c1ccccc1-c1ccc2c(=O)[nH][nH]c2c1,OHMFKQHIRSDELS-UHFFFAOYSA-N
-rxn:2:74888:164912,CC(C)C(NCC(C1CCOC1)N1CCC(N(C)C)CC1)c1ccc(-c2cc3c(=O)nc[nH]c3s2)cc1,ZDEUBQCXSSJCJX-UHFFFAOYSA-N
-rxn:2:74888:168049,CC(NCC(C1CCOC1)N1CCC(N(C)C)CC1)c1sccc1-c1cccc2[nH]c(=O)oc12,SUIDJFTZFOLBEI-UHFFFAOYSA-N
-rxn:2:74937:84015,CC1(C)C2CC[C@]1(CS(=O)(=O)[O-])C(NC1(COC34CC5CC(CC(C5)C3)C4)CC1)C2,LFVZPBRFLNSDLY-CHUKWMBDSA-M
-rxn:2:75109:104764,O=S(=O)(F)c1cnc(NC2CC3CCC(C2)N3CCN2CCCCC2)s1,LAAHFOQTCFTHFV-UHFFFAOYSA-N
-rxn:2:75992:97172,CCCC(N[C@H](c1ccccc1OC)C1CCOCC1)C1CCCN(c2cnccn2)C1,OUZAEBCHFULFKN-KXUMESBHSA-N
-rxn:2:76189:83028,CC(CN1CCC(N(C)C)CC1)NC(C)c1ccn(C(C)C2CC2)n1,ODDIYJSYACSMTM-UHFFFAOYSA-N
-rxn:2:76406:83028,CC(CN1CCC(N(C)C)CC1)NC(c1nccn1C1CC1)C(C)C,UDNFWAMONXVLTK-UHFFFAOYSA-N
-rxn:2:76442:96810,CCN1CCC(N(C)CCC(C)NCC(F)(F)CN2CCSCC2C)CC1,CMEBDXCNARJZCT-UHFFFAOYSA-N
-rxn:2:76532:128555,CCCC(NCCCN1CCC2(CC1)CC(OC)CCO2)C1CCN(c2cnccn2)CC1,LTCLDUDEHGBKBT-UHFFFAOYSA-N
-rxn:2:76792:120015,CCCC(C#CN1CCN(C)CC1)NC(c1ccnn1C)C1CC(C(C)C)C1,FLYWSJFUNAILOT-UHFFFAOYSA-N
-rxn:2:77169:74747,CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)[O-])C(NC1CN(Cc3ccc4c(c3)CCO4)C1)C2,IEBCJVDEEVLREU-IOVLZCAISA-M
-rxn:2:79124:149518,CC(NCC1(S(=O)(=O)C2CCCC2)COC1)c1ccc(N2CCS(=O)(=O)CC2)cc1,DMZZSOKSIPBVBV-UHFFFAOYSA-N
-rxn:2:79124:79791,CSc1ccc(C(CS(C)(=O)=O)NCC2(S(=O)(=O)C3CCCC3)COC2)cc1,IZOBRCOEDGUKRU-UHFFFAOYSA-N
-rxn:2:79244:91160,CN(C)CCN(C)C1CCC(NCC2C(c3nccn3C)C2(F)F)CC1,KSGJFXATMHAOQH-UHFFFAOYSA-N
-rxn:2:79402:158492,CC(CNC1CCC(c2nccc(C3CCN(C)C3)n2)CC1)C(c1ccc2oc(=O)[nH]c2c1)N(C)C,WHSUOCSIEFBCEV-UHFFFAOYSA-N
-rxn:2:79800:116120,C[C@H](c1ccccc1)N1CCC(NCCS(=O)(=O)N=S(C)(C)=O)C[C@@H]1C,HFHAHYRPJNZFMA-SWQDIRLTSA-N
-rxn:2:80065:98213,CN(CCNC1CC2CCCC(C1)N2CCn1cccn1)C1CCS(=O)(=O)C1,JEXODKBUXLNAHG-UHFFFAOYSA-N
-rxn:2:80085:114498,CCC(CN1CCC(N(C)C)CC1)Nc1cn(C)nc1CCC(C)C,DFPJMBNFFIWPEH-UHFFFAOYSA-N
-rxn:2:80930:113144,CC1(C)C(NOC23CC4CC(CC(C4)C2)C3)C(C)(C)S1(=O)=O,WZENYFZXHKTNLN-UHFFFAOYSA-N
-rxn:2:81090:105477,CC(Cc1ncn2c1CC(N(C)C)CC2)NC(C)c1ccc(N2CCN(C)CC2)s1,DEBDJWFHKPVOPJ-UHFFFAOYSA-N
-rxn:2:81581:141891,Cc1ccc(C(Nc2ccc(OC3CCCCC3)cc2)C2CCCCC2)cc1C(C)(C)C,XJSJCQYDZAWMDJ-UHFFFAOYSA-N
-rxn:2:81735:143403,CC(CCc1ccc(-c2ccn(C3COC3)n2)cc1)NC1CC(C(C2CCN(C)C2)N(C)C)C1,YIWQGHHTCCGURH-UHFFFAOYSA-N
-rxn:2:81735:145185,CC(NC1CC(C(C2CCN(C)C2)N(C)C)C1)c1c[nH]c2ncc(-c3ccn(C4COC4)n3)cc12,TVNOZTTXXLBWER-UHFFFAOYSA-N
-rxn:2:82081:130197,CCC(NC1(c2noc(C(C)C)n2)CCN(C)CC1)c1ccc(N2CCN(C)CC2)nc1C,JPKXKLMDFOZNJL-UHFFFAOYSA-N
-rxn:2:82081:77510,CCC(NC1(c2noc(C(C)C)n2)CCN(C)CC1)c1ccc(N2CC[C@@H](F)C2)cc1,CMMUBAUWGAOXNS-YMBRHYMPSA-N
-rxn:2:83028:128459,CC(C)CCn1cc(C(C)NC(C)CN2CCC(N(C)C)CC2)cn1,IBXDYBNNSRXOEG-UHFFFAOYSA-N
-rxn:2:83028:161912,CC(CN1CCC(N(C)C)CC1)NC(c1ccc2ncn(C3CC3)c2c1)C(C)C,YIZJYCMBCXYAAK-UHFFFAOYSA-N
-rxn:2:83028:164715,CC(CN1CCC(N(C)C)CC1)NC(c1cccc2c1nnn2C1CC1)C(C)C,PHVXAIBOFCFUSE-UHFFFAOYSA-N
-rxn:2:83028:164917,CC(CN1CCC(N(C)C)CC1)NC(c1cccc2ncn(C3CC3)c12)C(C)C,CLEMGHPCNDOPLZ-UHFFFAOYSA-N
-rxn:2:83385:123810,CCC(NC1CCN(CCc2ccccc2OC)C1)c1cnc(N2CCOCC2)c(C)c1,QYMQODXZFVSZTA-UHFFFAOYSA-N
-rxn:2:83690:167112,CCC(C)C(NC(C)CCC(C1CCOCC1)N(C)C)c1nc2cnccc2c(=O)[nH]1,BXJABIASZDFPCS-UHFFFAOYSA-N
-rxn:2:83925:109813,CC(CC(c1ccncc1)N1CCOCC1)NCc1ccc(N2CCC(N(C)C)CC2)nc1,YGZUFBJBXAMJIF-UHFFFAOYSA-N
-rxn:2:83925:127230,CC(C)C(NCc1ccc(N2CCC(N(C)C)CC2)nc1)c1csc(N2CCOCC2)n1,PAJREIDRFQVDLS-UHFFFAOYSA-N
-rxn:2:83925:143265,Cc1nc2ccccn2c1C(CN1CCOCC1)NCc1ccc(N2CCC(N(C)C)CC2)nc1,JNULHPJNTCTEST-UHFFFAOYSA-N
-rxn:2:84259:111610,CC(=O)c1ccc(C2CC2CSC(C)NC2(COS(=O)(=O)[O-])CCCC2)s1,VFCHLSZFNDQXMJ-UHFFFAOYSA-M
-rxn:2:84483:136378,CC#CCOc1cc(CNC2CCN(CCOS(C)(=O)=O)CC2)ccn1,CZLABRAXKXUSSL-UHFFFAOYSA-N
-rxn:2:84843:91160,CN(C)CCN(C)C1CCC(NCCC2C(c3cncn3C)C2(F)F)CC1,DJMHLNZJIRBARE-UHFFFAOYSA-N
-rxn:2:85368:134417,CCC(Nc1ccc(CN2CCN(CC)CC2)nc1)c1ccc(N2CCOCC2)nc1C,SWADICYLZZTYJD-UHFFFAOYSA-N
-rxn:2:85766:113527,CCC(NCc1ccnc(N2CCC(N(C)C)CC2)n1)C1CCN(CC(C)C)C1,OTSAABKBYNZDIT-UHFFFAOYSA-N
-rxn:2:85794:139310,CC1CC1C(NCC1CC(OS(C)(=O)=O)C1)c1ccc2c(c1)OCCO2,SYYOHYQVGBPEAW-UHFFFAOYSA-N
-rxn:2:86785:114498,CCC(CN1CCC(N(C)C)CC1)Nc1c(C2CCC2)cnn1C(C)C(C)C,IAFFDOJHJBCVKY-UHFFFAOYSA-N
-rxn:2:86839:116823,CC(CCN(C)C1CCN(C)CC1)NC(CSc1nccn1C)C(C)C,UAOLJLMVFJIUAU-UHFFFAOYSA-N
-rxn:2:86839:117084,CC(C)Cn1ccc([C@@H](C)NC(C)CCN(C)C2CCN(C)CC2)n1,AZCNIILNTCVVLR-QRWMCTBCSA-N
-rxn:2:86839:91987,CCCC(F)c1cc(NC(C)CCN(C)C2CCN(C)CC2)nn1C,AYJHWWSSPRUORD-UHFFFAOYSA-N
-rxn:2:87463:166784,CCC(NC(C)c1ncc(-c2ccc3[nH]c(=O)[nH]c3c2)cc1OC)C(OC1CCOCC1)C(C)(C)C,YMTZKJPOJYITKD-UHFFFAOYSA-N
-rxn:2:87619:106409,CCCC(Nc1ccc(OC)c(CN2CCC(C)CC2)c1)C1CCN(c2cnccn2)C1,SFCPCIOQUJUHLU-UHFFFAOYSA-N
-rxn:2:88553:73038,CCC(Nc1ccc(N2CCOCC2)nc1OC)c1cnc(N2CCN(CC)CC2)cc1C,WEQCALPZJBAMIP-UHFFFAOYSA-N
-rxn:2:88553:76048,CCC(Nc1ccc(N2CCOCC2)nc1OC)c1cnc(N2CCCCCC2)cc1C,SLAJUIBXNURXGC-UHFFFAOYSA-N
-rxn:2:88564:102540,CC(CNC1C2(C)CCC3C2(C)COC31S(=O)(=O)[O-])SC1C2CC3CC(C2)CC1C3,LVTSFFHHSJJGKM-UHFFFAOYSA-M
-rxn:2:88564:113789,CC12COC3(S(=O)(=O)[O-])C1CCC2(C)C3NC1(c2nccc(=O)[nH]2)CCC1,GAUKCBREQHASED-UHFFFAOYSA-M
-rxn:2:88564:136206,CN(C1CC1)C(CNC1C2(C)CCC3C2(C)COC31S(=O)(=O)[O-])C1C2CC3CC(C2)CC1C3,VYOKGNKEFLBEPL-UHFFFAOYSA-M
-rxn:2:89161:111113,CCC(CSc1n[nH]c(=O)n1C)NCC(F)(F)C1(OC)CCOCC1,MBIJDJWMZLZTGH-UHFFFAOYSA-N
-rxn:2:89594:135343,CCN1CCN(c2cc(NC3CC4CCC3(CS(=O)(=O)OC)C4(C)C)ccn2)CC1,KZHLWBGCODEDGQ-UHFFFAOYSA-N
-rxn:2:89639:134221,CCC(Nc1c(C)c(C2CC2)nn1C1CCN(C)CC1)c1cnc(N2CCN(C)CC2)cc1C,VGJKANGLXDABDQ-UHFFFAOYSA-N
-rxn:2:90506:131786,CC(Nc1ccnc(CN(C)C2CCN(C)CC2)n1)c1cccc(C(F)C2CCN(C)CC2)c1,SUVZVPLYXLWTNJ-UHFFFAOYSA-N
-rxn:2:90780:136378,COc1cccc(OC)c1[C@H](C)NC1CCN(CCOS(C)(=O)=O)CC1,VDHAPVDITKUSNR-AWEZNQCLSA-N
-rxn:2:91080:114498,CCC(CN1CCC(N(C)C)CC1)Nc1ccnn1C(C)CCC(C)C,PGPWZHPTUUJWQY-UHFFFAOYSA-N
-rxn:2:91160:115700,CN(C)CCN(C)C1CCC(NCCC2C(c3nccn3C)C2(F)F)CC1,FONOUBRJJCQERJ-UHFFFAOYSA-N
-rxn:2:91160:98210,CC(C)Cn1ccc([C@H](C)NC2CCC(N(C)CCN(C)C)CC2)n1,JHBMEYBVZXCCHF-VIQWUECVSA-N
-rxn:2:91416:111264,CC1(C)C2CCC1(CS(=O)(=O)F)C(NC1C(=O)SC13CCCCC3)C2,BAXULXBSYJVTEE-UHFFFAOYSA-N
-rxn:2:91535:98788,CCC(Cc1ccnc(N2CCOCC2)n1)NC(CC)CN(C)C1CCN(C)CC1,VVLNYHUFNQMSSX-UHFFFAOYSA-N
-rxn:2:91542:114498,CCC(CN1CCC(N(C)C)CC1)Nc1c(C(C)C)n[nH]c1C(C)C,YWLHVFWOTAPHOK-UHFFFAOYSA-N
-rxn:2:91987:114498,CCCC(F)c1cc(NC(CC)CN2CCC(N(C)C)CC2)nn1C,RPLFGCBYIBXFJS-UHFFFAOYSA-N
-rxn:2:92000:143818,CC(CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)NC1CCC(N(C)c2ccc(C(C)C)nn2)CC1,KHJWRHXQDDLMGH-UHFFFAOYSA-N
-rxn:2:92288:114498,CCC(CN1CCC(N(C)C)CC1)NCC(c1ncc(C(C)C)[nH]1)C(C)C,CLINOVMVUGCKGJ-UHFFFAOYSA-N
-rxn:2:93164:125747,CCC(NC1CCN(Cc2c(OC)cccc2OC)CC1)C(c1cccnc1)N1CCCOCC1,AAPNUBYJYSNSEA-UHFFFAOYSA-N
-rxn:2:93599:114498,CCC(CN1CCC(N(C)C)CC1)Nc1nc(COCC(C)C)cs1,OUEDLDASOXFBIX-UHFFFAOYSA-N
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-rxn:1:56777:33767,CN1CCN(C)C(C(=O)Nc2ncc(Br)nc2-c2cn(CC3CC3c3ccc(N4CCOCC4)cc3)nn2)C1,NCVHJWYJKKBVBI-UHFFFAOYSA-N
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-rxn:1:59877:22782,CCCN1CCN(C(=O)Cn2cc(-c3cncc(-n4nc(C5CCCCC5)c(I)c4I)c3)nn2)CC1,YIOWSJOCGJASAC-UHFFFAOYSA-N
-rxn:1:60109:29570,CCC12CCC3C4CCC(=O)C=C4CCC3C1C=CC2(OS(=O)(=O)[O-])c1cn(P(=N)(N)Cl)nn1,FNUQEWWZJPXDKI-UHFFFAOYSA-M
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-rxn:1:60300:17233,N#Cc1cc(C2CCCC2)n(-c2ccc(-c3cn(C4CCCN(S(=O)(=O)C5CCCCC5)C4)nn3)cc2)n1,OJAUPOWAVVVTMI-UHFFFAOYSA-N
-rxn:1:60301:12693,N#Cc1cc(NC(=O)c2ccc(-c3cn(CC4CCCN4S(=O)(=O)C4CCCCC4)nn3)cc2)ccc1Br,JOJKMMYDPBKMCI-UHFFFAOYSA-N
-rxn:1:60331:16018,COc1ccc(-n2cc(-c3cn(C(C)(C)C4c5ccccc5OCC5=CNNN54)nn3)c(C3CCCC3)n2)cc1OC,FJASKHAIYABNKH-UHFFFAOYSA-N
-rxn:1:60331:16748,COc1cccc(-n2ncc(-c3cn(C(C)(C)C4c5ccccc5OCC5=CNNN54)nn3)c2C2CCCCC2)c1OC,DVFBISFDUGRLKR-UHFFFAOYSA-N
-rxn:1:60331:17461,COc1ccc(-n2nc(-c3cn(C(C)(C)C4c5ccccc5OCC5=CNNN54)nn3)cc2C2CCCCC2)cc1OC,UDYDNVUYAIXQRQ-UHFFFAOYSA-N
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-rxn:1:60331:31656,COC1(OC)CC2(CCC(c3cn(C(C)(C)C4c5ccccc5OCC5=CNNN54)nn3)CC2)C1,NOCCFPTXROYHGB-UHFFFAOYSA-N
-rxn:1:60359:24286,COc1ccc(NC(=O)N2CCC(n3cc(-c4cc(F)c(OCC5CCOCC5)c(Br)c4)nn3)C2)cc1,CWLHPPGWIKBGPY-UHFFFAOYSA-N
-rxn:1:60365:17647,CCC(CC)n1nc(-c2cn(C3CCN(C(=O)Nc4c(F)cccc4F)C3)nn2)cc1C1CCCC1,HUZWISNLIUVCSN-UHFFFAOYSA-N
-rxn:1:60572:20689,CC(C)(C)NC(=O)NC1(c2cn(-c3ccccc3C(F)(F)C(=N)Sc3nnc[nH]3)nn2)CCCCC1,XBROLXUSTPZCHV-UHFFFAOYSA-N
-rxn:1:60573:20689,CC(C)(C)NC(=O)NC1(c2cn(-c3cccc(C(F)(F)C(=N)Sc4nnc[nH]4)c3)nn2)CCCCC1,KHNFOPLFKZAKII-UHFFFAOYSA-N
-rxn:1:60589:3802,C[C@@]1(c2cn(Cc3c(C4CCC4)n[nH]c3C3CC3)nn2)CC(F)(F)CN1C(=O)OCc1ccccc1,VTPPAWDBNSRINJ-VWLOTQADSA-N
-rxn:1:60608:13829,C[C@@]1(c2cn(Cc3c(C4CC4)n[nH]c3C3CCCC3)nn2)CC(F)(F)CN1C(=O)OCc1ccccc1,WDMUXUYITFFRIT-SANMLTNESA-N
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-rxn:1:60652:16882,CC(C)(C)CCn1ncc(-c2cn(C3CCN(S(=O)(=O)Cc4ccccc4F)C3)nn2)c1C1CCCC1,ILPDBCAFEGAHCE-UHFFFAOYSA-N
-rxn:1:60658:17233,N#Cc1cc(C2CCCC2)n(-c2ccc(-c3cn(C4CCN(S(=O)(=O)N5CCCCCC5)C4)nn3)cc2)n1,JHKGONRWGIPUEE-UHFFFAOYSA-N
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-rxn:1:60885:4282,COCC1CC(F)(F)CN1CCn1cc(CC(C(C)=O)C(C)C)nn1,QPWNSKQRBWDXRI-UHFFFAOYSA-N
-rxn:1:60896:22039,CCC(c1c(C)cccc1F)n1nc(C2CCCC2)cc1-c1cn(CCN2CC(OC)C(OC)C2)nn1,HWVCAUWQUDNTDM-UHFFFAOYSA-N
-rxn:1:60906:33774,CC(NC(=O)C(O)c1c(F)cccc1F)c1cn(CC(=O)N(C2CC2)C2CCSC2)nn1,QDOPCTSDASANKW-UHFFFAOYSA-N
-rxn:1:60908:35532,CCN1CCC(C(=O)Nc2ncc(Br)cc2-c2cn(CC(=O)N(CC)C3CCSC3)nn2)CC1,YOHGICRXXHIHFS-UHFFFAOYSA-N
-rxn:1:60911:12621,O=C(Cc1cc(F)c(F)cc1Br)Nc1ccc(-c2cn(CC(=O)N(C3CCSCC3)C3CC3)nn2)cc1,JGKLSTGWTAMXBH-UHFFFAOYSA-N
-rxn:1:60911:13364,O=C(Cc1cc(F)c(F)cc1F)Nc1ccc(-c2cn(CC(=O)N(C3CCSCC3)C3CC3)nn2)cc1,DJFNXHWTEQCFCZ-UHFFFAOYSA-N
-rxn:1:60911:33520,COc1ccc(F)c(C(=O)Nc2ccc(-c3cn(CC(=O)N(C4CCSCC4)C4CC4)nn3)nc2)c1F,VCRPPKFLMUOICO-UHFFFAOYSA-N
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-rxn:1:60911:34292,Cc1ccc(C(=O)NCc2cc(F)ccc2F)cc1-c1cn(CC(=O)N(C2CCSCC2)C2CC2)nn1,CRXDESAIUFXDMF-UHFFFAOYSA-N
-rxn:1:60911:35187,CCC(C)(NC(=O)c1ccc(Cl)c(O)c1)c1cn(CC(=O)N(C2CCSCC2)C2CC2)nn1,ATNJYBLQTIRPID-UHFFFAOYSA-N
-rxn:1:60911:35587,Cc1cc(C(=O)Nc2ccc(F)c(C)c2F)ccc1-c1cn(CC(=O)N(C2CCSCC2)C2CC2)nn1,XTERDWOBZGQJAM-UHFFFAOYSA-N
-rxn:1:60911:35666,Cc1ccc(C(=O)Nc2n[nH]c(C(F)(F)F)n2)cc1-c1cn(CC(=O)N(C2CCSCC2)C2CC2)nn1,CFIHRSDFSQHEHT-UHFFFAOYSA-N
-rxn:1:60914:17633,CCN(C(=O)Cn1cc(-c2cc(C3CCCC3)n(-c3ccc(SC(F)(F)F)cc3)n2)nn1)C1CCSCC1,MUVSHTMQADXRAM-UHFFFAOYSA-N
-rxn:1:60914:17718,CCN(C(=O)Cn1cc(-c2cc(C3CCCCC3)n(-c3ccc(SC(F)(F)F)cc3)n2)nn1)C1CCSCC1,XUUJILXWVBRMSS-UHFFFAOYSA-N
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-rxn:1:60914:5104,CCN(C(=O)Cn1cc(Cn2cc(C3CCNCC3)c3ccc(F)cc32)nn1)C1CCSCC1,MNBXOAGGMNTHAP-UHFFFAOYSA-N
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-rxn:1:60981:9406,CC1CCc2c(sc3ncnc(Nc4cccc(OCc5cn(CC(=O)N6CCC(C(C)(F)F)CC6)nn5)c4)c23)C1,HMUAIHOABSVQGA-UHFFFAOYSA-N
-rxn:1:60982:1909,CC(C)(C)OC(=O)N1CCC(c2ccc3[nH]nc(-c4cn(CCN5CCC(C(C)(F)F)CC5)nn4)c3c2)CC1,ZDNNPDFMNXZTNO-UHFFFAOYSA-N
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-rxn:1:61096:34970,CCC1CCC(C(=O)Nc2ncc(Br)cc2-c2cn(CCN3CCC(C(F)F)C3)nn2)CC1,SCQCVIFRLRDMDF-UHFFFAOYSA-N
-rxn:1:61109:36972,CC(C)(C)OC(=O)N1CC=C(c2ccccc2-c2cn(CCN3CCC(CF)CC3)nn2)CC1,XKKQTQURQQJABV-UHFFFAOYSA-N
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-rxn:1:61732:34175,CC(=O)N1CCC[C@H]1C(=O)Nc1ccc(-c2cn(C[C@H]3CN(c4ccc(N5CCOCC5)c(F)c4)C(=O)O3)nn2)nc1,ZKFBFMLJMZFXKQ-LVXARBLLSA-N
-rxn:1:61875:33337,CC(NC(=O)c1ccc2cnn(C3CCCCO3)c2c1)c1cn(CC2OCCN(C(=O)OC(C)(C)C)CC2(F)F)nn1,AQAVDPQCOUXURL-UHFFFAOYSA-N
-rxn:1:61979:34448,CN1CCC[C@@H]1C(=O)Nc1ncc(Br)nc1-c1cn(-c2ccc(C(=O)N3CCCC(CN4CCCC4)C3)cc2)nn1,PWHNGMFLLOWMKK-PIFIWZBESA-N
-rxn:1:61980:6193,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cn(-c4ccc(C(=O)N5CCOCC5)c(F)c4)nn3)ncn2)CC1,LNWAWVQLRZKVST-UHFFFAOYSA-N
-rxn:1:61983:16749,COc1cccc(-n2ncc(-c3cn(-c4ccc(C(=O)N5CCOCC5)c(C(F)(F)F)c4)nn3)c2C2CCCCC2)c1O,ICJMXWJPQZSZEM-UHFFFAOYSA-N
-rxn:1:62052:39313,CC(C)(C(=O)Cl)c1cn(-c2nc3c(=N)n4cnc3n2C2OC(COP(=O)(O)OP(=O)(O)OCC3OC4C(O)C3O)C(O)C2O)nn1,YFRGSYXJZAZGJR-UHFFFAOYSA-N
-rxn:1:62052:6350,N=c1c2nc(-n3cc(C4(OC(=O)Cl)CCC4)nn3)n3c2ncn1C1OC(COP(=O)(O)OP(=O)(O)OCC2OC3C(O)C2O)C(O)C1O,MGSZUFUAYKGCNB-UHFFFAOYSA-N
-rxn:1:62271:13278,COc1ccc(I)cc1C(=O)Nc1ccc(-c2cn(-c3nc4c5ncnc4n3C3OC(COP(=O)(OP(=O)(O)O)OCC4OC(N5)C(O)C4O)C(O)C3O)nn2)cc1,CHTQSRSINKTKTB-UHFFFAOYSA-N
-rxn:1:62271:13481,CCc1noc(C)c1C(=O)Nc1ccc(-c2cn(-c3nc4c5ncnc4n3C3OC(COP(=O)(OP(=O)(O)O)OCC4OC(N5)C(O)C4O)C(O)C3O)nn2)cc1,JZTUBCKEICAIIO-UHFFFAOYSA-N
-rxn:1:62271:13803,CC(C)(C)OC(=O)Nc1cccc(F)c1-c1cn(-c2nc3c4ncnc3n2C2OC(COP(=O)(OP(=O)(O)O)OCC3OC(N4)C(O)C3O)C(O)C2O)nn1,TYDWZGPTXJBZDI-UHFFFAOYSA-N
-rxn:1:62271:14117,O=C(c1cn(-c2nc3c4ncnc3n2C2OC(COP(=O)(OP(=O)(O)O)OCC3OC(N4)C(O)C3O)C(O)C2O)nn1)c1cccc(Cl)c1Cl,FTVWZYBBIWPKBR-UHFFFAOYSA-N
-rxn:1:62271:14730,CN(C)C(=O)c1cc(F)cc(-c2cn(-c3nc4c5ncnc4n3C3OC(COP(=O)(OP(=O)(O)O)OCC4OC(N5)C(O)C4O)C(O)C3O)nn2)c1,NBMMHVJVFQSWQG-UHFFFAOYSA-N
-rxn:1:62271:15200,CS(=O)(=O)c1ccc(-n2[nH]c(=O)cc2-c2cn(-c3nc4c5ncnc4n3C3OC(COP(=O)(OP(=O)(O)O)OCC4OC(N5)C(O)C4O)C(O)C3O)nn2)cc1,SCBQUOMWIFNTEW-UHFFFAOYSA-N
-rxn:1:62271:24314,COc1ccc(-c2cn(-c3nc4c5ncnc4n3C3OC(COP(=O)(OP(=O)(O)O)OCC4OC(N5)C(O)C4O)C(O)C3O)nn2)cc1C(=O)OC(C)(C)C,RVKNFDGRFFISSO-UHFFFAOYSA-N
-rxn:1:62271:2688,O=[N+]([O-])c1ccc(Cl)cc1-c1cn(-c2nc3c4ncnc3n2C2OC(COP(=O)(OP(=O)(O)O)OCC3OC(N4)C(O)C3O)C(O)C2O)nn1,OFZZNJLCTSTQJI-UHFFFAOYSA-N
-rxn:1:62271:29718,O=C(c1ccc(-c2cn(-c3nc4c5ncnc4n3C3OC(COP(=O)(OP(=O)(O)O)OCC4OC(N5)C(O)C4O)C(O)C3O)nn2)cc1)N1CC(F)(F)C1,ANPUXWYMRNPDOS-UHFFFAOYSA-N
-rxn:1:62271:35386,O=C(c1cn(-c2nc3c4ncnc3n2C2OC(COP(=O)(OP(=O)(O)O)OCC3OC(N4)C(O)C3O)C(O)C2O)nn1)c1ccc(Br)cc1F,IFSQLBONWGCOJL-UHFFFAOYSA-N
-rxn:1:62271:36649,CON(C)C(=O)c1ccc(-c2ccccc2-c2cn(-c3nc4c5ncnc4n3C3OC(COP(=O)(OP(=O)(O)O)OCC4OC(N5)C(O)C4O)C(O)C3O)nn2)cc1,CQQYSCNRLCKCTN-UHFFFAOYSA-N
-rxn:1:62271:37773,O=[N+]([O-])c1cc(F)ccc1-c1cn(-c2nc3c4ncnc3n2C2OC(COP(=O)(OP(=O)(O)O)OCC3OC(N4)C(O)C3O)C(O)C2O)nn1,JPQXYFKQFSPKJC-UHFFFAOYSA-N
-rxn:1:62271:37806,O=C(O)c1cccc(F)c1-c1cn(-c2nc3c4ncnc3n2C2OC(COP(=O)(OP(=O)(O)O)OCC3OC(N4)C(O)C3O)C(O)C2O)nn1,RWDZZQBHVQBNMX-UHFFFAOYSA-N
-rxn:1:62271:39313,CC(C)(C(=O)Cl)c1cn(-c2nc3c4ncnc3n2C2OC(COP(=O)(OP(=O)(O)O)OCC3OC(N4)C(O)C3O)C(O)C2O)nn1,FKQTYRQALMGBNW-UHFFFAOYSA-N
-rxn:1:62271:39491,Nc1ccccc1C(=O)NCCc1cn(-c2nc3c4ncnc3n2C2OC(COP(=O)(OP(=O)(O)O)OCC3OC(N4)C(O)C3O)C(O)C2O)nn1,WPFXRVIHHNODFV-UHFFFAOYSA-N
-rxn:1:62271:4333,O=C(Nc1ccc(F)cc1Br)c1cn(-c2nc3c4ncnc3n2C2OC(COP(=O)(OP(=O)(O)O)OCC3OC(N4)C(O)C3O)C(O)C2O)nn1,STEGNAOXPVACAA-UHFFFAOYSA-N
-rxn:1:62333:8321,CC(C)(C)OC(=O)N1CC(n2cc(C(=O)N3CCCC(c4cccc(-c5ccc(F)cc5)n4)C3)nn2)CC12CCSCC2,XZGIHMOBAXMPEZ-UHFFFAOYSA-N
-rxn:1:62396:29071,COC(=O)[C@H]1C[C@@H](n2cc(Cn3nc(-c4ccccn4)cc3C=C(F)B3OC(C)(C)C(C)(C)O3)nn2)C1,DZMNFZMWBIGEPF-MAEOIBBWSA-N
-rxn:1:62397:29071,COC(=O)[C@H]1C[C@H](n2cc(Cn3nc(-c4ccccn4)cc3C=C(F)B3OC(C)(C)C(C)(C)O3)nn2)C1,DZMNFZMWBIGEPF-SAABIXHNSA-N
-rxn:1:62475:11178,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cccc(NC(=O)CC4CCSCC4)c3)nn2)C(F)(F)CC1,KDEQAXTWYZTHFJ-UHFFFAOYSA-N
-rxn:1:63713:4086,CC1=C(C(=O)O)C(c2ccccc2C)N=C(SCc2cn(CCCN3CCC(C(F)(F)F)CC3)nn2)N1,CKBZADVOTABMOW-UHFFFAOYSA-N
-rxn:1:64226:33772,CC(C)(C)[C@H]1CC[C@H](C(=O)Nc2ccc(-c3cn(CC4CC(=O)N(Cc5cccc(F)c5F)C4)nn3)nc2)CC1,NAHXUTQJIYEKCM-RVZUZXSLSA-N
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-rxn:2:102455:143818,CC(CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)NCc1cn(C2CCCOC2)nc1C1CCC1,YHLOLZHGEXKSNG-UHFFFAOYSA-N
-rxn:2:102757:159916,COc1ccc(C(NCCS(=O)(=O)c2ccc3c(c2)OCCO3)C23CN4CN(CN(C4)C2)C3)cc1,CFIVPQHQFJWUBN-UHFFFAOYSA-N
-rxn:2:102988:122520,CCC[C@H]1CC[C@H](CCC2CCC(Nc3ccc(C4(OC)COC4)cc3)CC2)CC1,PEVZQEJOBSEWID-SHNGIDQASA-N
-rxn:2:103040:144270,CC(=O)c1cccc(C2C(CSC(C)NC(C)(C)c3noc(CN4CCCCC4)n3)C2(F)F)n1,MARXZVNHOIOVPH-UHFFFAOYSA-N
-rxn:2:103040:155396,CC(=O)c1ccc(C2C(CSC(C)NC(C)(C)c3noc(CN4CCCCC4)n3)C2(F)F)nc1,RCJSUYQGFPIJHS-UHFFFAOYSA-N
-rxn:2:103726:143818,CC(CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)NCC(c1ccc(N2CCOCC2)o1)N(C)C,KZEIAHNAQYDAFE-UHFFFAOYSA-N
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-rxn:2:105612:170234,CCCC(C(NC1CC2(CCN(C)CC2)Oc2ccc(C)cc21)c1cccc2ccccc12)N1CCCC1,HWUQCECMZZJWOT-UHFFFAOYSA-N
-rxn:2:106047:150116,Cc1cc(NC(C)c2ccc(-c3csc(N4CCOCC4)n3)s2)cnc1N1CCC(CN(C)C)CC1,YWGGCDJJMHZTFG-UHFFFAOYSA-N
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-rxn:2:106868:157340,C=C=Cc1ccc(C(NCCN2CC(COC)C3(CCCCC3)C2)c2cccnc2)cc1,DSDRBBOLULEZSY-UHFFFAOYSA-N
-rxn:2:106953:173184,Cc1ccccc1C(NC(C1CCCCC1)C1CCCCC1)c1ccc(C(C)(C)C)cc1,PPZXALPWMBOYAS-UHFFFAOYSA-N
-rxn:2:107078:160580,CCc1cc(NC(C#CN2CCCCC2)c2ccc3nc(C)oc3c2)c(OC)cc1N1CCCCC1,XAMRBHUHCOIHOR-UHFFFAOYSA-N
-rxn:2:107310:123428,CCCC1CC(C(N[C@@H](c2ccc(O[Si](C)(C)C)cc2)C2CCC2)c2ccnn2C)C1,WAXNGLNMQGDKSE-QPMFEFCASA-N
-rxn:2:107310:153933,COc1cc2c(cc1-c1ccn(C3COC3)n1)CCC2N[C@@H](c1ccc(O[Si](C)(C)C)cc1)C1CCC1,XHVACORZYVTJCN-DINWUYGQSA-N
-rxn:2:107393:112168,CC1Cc2nc(N3CCN(C)CC3)ncc2C(NCC2(C(c3ccc[nH]3)N(C)C)COC2)C1,NBZNTOTVHUVPLK-UHFFFAOYSA-N
-rxn:2:107439:163067,CC(C)CC(CN1CCCN(C)CC1)NC(c1ccc(-c2nc3ccsc3c(=O)[nH]2)cc1)C(C)C,BDQRIQZYVGUCNF-UHFFFAOYSA-N
-rxn:2:107589:143818,CC(CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)NC1(c2noc(CN(C)C)n2)CCCCCC1,LGQBSHLSUYACHY-UHFFFAOYSA-N
-rxn:2:109122:143818,CC(CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)NC1(c2noc(C(C)C)n2)CCCCCCC1,QJHMLGHCBXBYCM-UHFFFAOYSA-N
-rxn:2:109160:154947,CC(C)c1nc(C(NC(CN2CCC(N(C)C)CC2)c2c[nH]c3ccccc23)C(C)C)n(C)n1,LIROJOCYXMXCPF-UHFFFAOYSA-N
-rxn:2:109296:126600,Cc1ccc(C(C)NC2C3(C)CN4CN(C3)CC2(c2ccncc2)C4)c(OS(=O)(=O)F)c1,KVYPQAKVZYNDME-UHFFFAOYSA-N
-rxn:2:109467:118875,CCCS(=O)(=O)c1ccc(C(C)NCC2(N(C)C3CC3)CN3CCC2CC3)cc1,XSPSAAWITHICBH-UHFFFAOYSA-N
-rxn:2:109467:126600,Cc1ccc(C(C)NCC2(N(C)C3CC3)CN3CCC2CC3)c(OS(=O)(=O)F)c1,XONBHBKAHAWELC-UHFFFAOYSA-N
-rxn:2:109467:149407,CN(C1CC1)C1(CNC(CC2=NCCO2)c2ccc3[nH]c(=O)[nH]c3c2)CN2CCC1CC2,JYGHDXFXUPJMSP-UHFFFAOYSA-N
-rxn:2:109523:168624,COC1C(C)C(NC(CS(C)(=O)=O)c2ccc(S(C)(=O)=O)cc2)C12CCC2,FZJIPBHCFDYQKV-UHFFFAOYSA-N
-rxn:2:110004:157355,CCC(C)N(C)C1(CNC(C)c2sc(-c3cccnc3)nc2COC)CCC(C)CC1,KJKCYBBZXQVSMS-UHFFFAOYSA-N
-rxn:2:110208:143818,CC(CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)Nc1c(C2CCCC2)cnn1C(C)C1CCC1,FLKJPYOULQEGNC-UHFFFAOYSA-N
-rxn:2:110755:123308,C=C=Cc1ccc(C(NCC2(OC)CCCCCC2)C(C)C2CC2)cc1,XSLZHYITRMPKMN-UHFFFAOYSA-N
-rxn:2:112001:129082,CCc1ccc(C(CN2CCOCC2)NCC(c2cccnc2)N2CCC(OC)CC2)cc1,ZIDDJWFMQOLWAN-UHFFFAOYSA-N
-rxn:2:112086:135263,CCCC(C(NC1c2ccccc2CCC1OC1CCC1)c1ccccc1)N1CCCC1,ABTYCXDAYAPMJL-UHFFFAOYSA-N
-rxn:2:112168:136425,Cc1nc(N2CCN(C)CC2)sc1C(C)NCC1(C(c2ccc[nH]2)N(C)C)COC1,DTDQLGAMAWFAOJ-UHFFFAOYSA-N
-rxn:2:112168:81706,Cc1cc(C(CN(C)C2CC2)NCC2(C(c3ccc[nH]3)N(C)C)COC2)c(C)n1C,CSJMYRIINJNOSL-UHFFFAOYSA-N
-rxn:2:112423:126170,CCCC(C(Nc1ccc(OCC2CCCCC2)cn1)c1ccc2c(c1)CCC2)N1CCCC1,DOMUJFDGUMARSH-UHFFFAOYSA-N
-rxn:2:112507:147270,COC1CCOC2(CCN(CCNC(C)c3sccc3-c3ccc(S(C)(=O)=O)nc3)CC2)C1,AIRQTBDQUMIPRZ-UHFFFAOYSA-N
-rxn:2:112507:149901,CCn1ccc2cccc(-c3cc(C(C)NCCN4CCC5(CC4)CC(OC)CCO5)ccn3)c21,LABHRMKWSKLRIX-UHFFFAOYSA-N
-rxn:2:112507:170959,COC1CCOC2(CCN(CCNC(c3ccc(C(C)C)cc3)c3cnc4ccccc4c3)CC2)C1,JVNKJBURJIYBEV-UHFFFAOYSA-N
-rxn:2:112507:173165,COC1CCOC2(CCN(CCNC(c3ccc(OC(C)C)cc3)c3cnc4ccccc4c3)CC2)C1,JKSAJGWXBZNZKD-UHFFFAOYSA-N
-rxn:2:112905:170784,CCCOc1ccc2ccccc2c1C(NCC(C)c1nccc(C2CCCN(C)C2)n1)C1CCCCC1,IZOYGNBPLOVJKX-UHFFFAOYSA-N
-rxn:2:113428:153662,CCc1ccc(C(Nc2ccc(CN=S(C)(C)=O)cc2)C23CN4CN(CN(C4)C2)C3)cc1,MJOGCOFXNMMIIH-UHFFFAOYSA-N
-rxn:2:113756:107189,Cc1cccc(C)c1CCC(N[C@@H](c1ccc(C(C)(C)C)cc1)C1CCCC1)C1CCCC1,FVQBKJLIPAPRJQ-NLIBRCFJSA-N
-rxn:2:113756:125700,Cc1cc(C)cc(CC2CC(C)CCC2N[C@@H](c2ccc(C(C)(C)C)cc2)C2CCCC2)c1,PGFRKTWKGKHYOY-XRHQVENSSA-N
-rxn:2:113756:140215,Cc1ccc(C(CC2CCCC2)N[C@@H](c2ccc(C(C)(C)C)cc2)C2CCCC2)c(C)c1,PXNOLFGDZXBTHX-BDCODIICSA-N
-rxn:2:113756:95819,Cc1ccccc1C(N[C@@H](c1ccc(C(C)(C)C)cc1)C1CCCC1)C1CCCCCC1,CNUZQXUPOSLBTE-IDCGIGBZSA-N
-rxn:2:114262:129758,COCS(=O)(=O)c1ccc(C(C)NCC2(N(C)C3CC3)CC3CCC(C2)N3C)cc1,DLTQMSPTRIGLDI-UHFFFAOYSA-N
-rxn:2:114381:105427,CCC(NC(c1ccc2c(c1)OCO2)C(C)N(C)CC)C1CCN(c2ccc(OC)cc2)C1,SUZUSLUVDCXXLH-UHFFFAOYSA-N
-rxn:2:114381:77220,CCC(NC(CN1CCCCC1)c1ccc2c(c1)OCO2)C1CCN(c2ccc(OC)cc2)C1,HAUDQZSUXNCYON-UHFFFAOYSA-N
-rxn:2:114642:122393,CCS(=O)(=O)OC[C@H]1CCC(NCC(c2cccnc2)N(C)C2CC2)C1,WLOIUTHJNYGMIM-DMKPSLHHSA-N
-rxn:2:114951:155264,COC1CCOC2(CCCN(CCCNC(C)c3sccc3-c3cccnc3S(C)(=O)=O)C2)C1,HQYCBWYZAFRAMY-UHFFFAOYSA-N
-rxn:2:115560:147524,CCc1nc2cc(C(CCN3CCCC3)N[C@H](c3ccc(OC)cc3C)C3CCCC3)ccc2[nH]1,GWQNOTYYAYPHDB-WSXWNZDHSA-N
-rxn:2:116097:163343,COc1ccc(N2CCC(CCNC(C)c3ccc(OC)c(-c4cnc(N5CCCC5)nc4)c3)CC2)cc1,GKJUUAVGNMYSOV-UHFFFAOYSA-N
-rxn:2:116990:147466,CCC(NC(C)c1cccc(-c2ccn(C3COC3)n2)c1OC)C(C)N(C)C1CCCN(C)C1,ZNLPNCJTQHCWFF-UHFFFAOYSA-N
-rxn:2:116990:172030,CCC(NC(C)c1cc(-c2cc3cc(OC)ccc3[nH]2)ccc1OC)C(C)N(C)C1CCCN(C)C1,TWZZZNLNENHULY-UHFFFAOYSA-N
-rxn:2:117054:136206,CC(NCC(C1C2CC3CC(C2)CC1C3)N(C)C1CC1)c1cccc(S(C)(=O)=O)n1,STRCOEBQGZUGCJ-UHFFFAOYSA-N
-rxn:2:117752:130760,CCC1CCN(CC(NCC2(C(c3ccc[nH]3)N(C)C)CC2)c2cc(C)[nH]c2C)CC1,DPQYFJGWXWKBQV-UHFFFAOYSA-N
-rxn:2:118320:144237,CC(=O)c1cncc(C2C(CSC(C)NCC3(CN(C)C)CCC3)C2(F)F)c1,IDXNOUYNUUMHMO-UHFFFAOYSA-N
-rxn:2:118922:165263,CCC(NC1CCCc2c1[nH]c1ccc(-c3cccnc3OC)cc21)C(C)N(C)C1CCCCCC1,NOKPOONJNYPWDQ-UHFFFAOYSA-N
-rxn:2:119530:77665,CC(=O)c1cncc(C2CC2CSC(C)NCc2ccc(C)nc2N2CCC(N(C)C)CC2)c1,YJHYAWXHAACGBO-UHFFFAOYSA-N
-rxn:2:119603:147524,CCc1nc2cc(C(CCN3CCCC3)NC(c3ccccc3OC)C3CCCN3C)ccc2[nH]1,SZBMWATUDJAECH-UHFFFAOYSA-N
-rxn:2:119603:149130,CCc1nc2cc(C(CCN3CCCCC3)NC(c3ccccc3OC)C3CCCN3C)ccc2[nH]1,NIPRHTIHDRISSG-UHFFFAOYSA-N
-rxn:2:119643:154594,CCS(=O)(=O)c1ccc(-c2ccc(C(C)NCCN(C3CCSCC3)C3CC3)nc2)cn1,NGEJYCFDLWTEET-UHFFFAOYSA-N
-rxn:2:120197:146556,Cc1[nH]c(-c2ccc3[nH]c(=O)[nH]c3c2)cc1C(C)NCC1(C(C2CCOCC2)N(C)C)COC1,BJSCUDMDHPSRBR-UHFFFAOYSA-N
-rxn:2:120322:153662,CCc1ccc(C(NCC2(CS(=O)(=O)F)CC2)C23CN4CN(CN(C4)C2)C3)cc1,WLCLGVCXQVXGMR-UHFFFAOYSA-N
-rxn:2:120322:159916,COc1ccc(C(NCC2(CS(=O)(=O)F)CC2)C23CN4CN(CN(C4)C2)C3)cc1,GZEURKLEGIYRHV-UHFFFAOYSA-N
-rxn:2:120678:156343,CC(=O)c1ccc(C2C(CCSC(C)Nc3snnc3CN3CCN(C)CC3)C2(F)F)cn1,XOCHXAKMQMYPFX-UHFFFAOYSA-N
-rxn:2:120848:143818,CC(CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)NCCC1CC1c1cnn([C@@H]2CCCCO2)c1,FMIJTWMXYPGHIH-NIOJUJLGSA-N
-rxn:2:121211:154947,CC(C)C(NC(CN1CCC(N(C)C)CC1)c1c[nH]c2ccccc12)c1nc(C2CC2)nn1C,ABQPMAKQJZSUMK-UHFFFAOYSA-N
-rxn:2:122120:143818,CC(CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)NC1CCN(c2cc(C3CCCO3)ncn2)CC1,DYKWXMVKIYAOJV-UHFFFAOYSA-N
-rxn:2:123196:144237,CC(=O)c1cncc(C2C(CSC(C)Nc3n[nH]cc3N3CCC(CN(C)C)CC3)C2(F)F)c1,AQMDBSSACOBBOW-UHFFFAOYSA-N
-rxn:2:123196:144270,CC(=O)c1cccc(C2C(CSC(C)Nc3n[nH]cc3N3CCC(CN(C)C)CC3)C2(F)F)n1,MXLDTYWCLUNIHZ-UHFFFAOYSA-N
-rxn:2:123196:147728,CC(=O)c1ccc(C2C(CSC(C)Nc3n[nH]cc3N3CCC(CN(C)C)CC3)C2(F)F)cn1,RLAJMVQHTZBQPB-UHFFFAOYSA-N
-rxn:2:124085:103186,CCC(C(Nc1cc(OC)cc(N2CCOCC2)c1)c1ccccc1)N1CCOCC1C,IESLIKWWOUWWPC-UHFFFAOYSA-N
-rxn:2:124302:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3NCC(C2CC2)N(C)C2CCCCC2)cn1,LNAAMNZCLOLBKU-UHFFFAOYSA-N
-rxn:2:125092:158492,CC(CC(c1ccccn1)N1CCN(C)CC1)NCC(C)C(c1ccc2oc(=O)[nH]c2c1)N(C)C,NBSAVUJHDDBUPT-UHFFFAOYSA-N
-rxn:2:125722:139945,CCc1ccc(N2CCC(OC)CC2)c(NC(CCN2CCOCC2)c2ccc3c(c2)CCCC3)c1,PCVXFWCAYKQPAL-UHFFFAOYSA-N
-rxn:2:126076:161479,CC(CCC1(c2ccc3[nH]c(=O)[nH]c3c2)COC1)NC1CCC(C(c2cccnc2)N(C)C)CC1,IWTNSGSGJYDWLO-UHFFFAOYSA-N
-rxn:2:126170:123449,CCCC(C(Nc1cccnc1OC1CCCCC1)c1ccc2c(c1)CCC2)N1CCCC1,NFXGCPYZTYNWKO-UHFFFAOYSA-N
-rxn:2:126170:135426,CCCC(C(Nc1cnccc1OCC1CCCCC1)c1ccc2c(c1)CCC2)N1CCCC1,SRAALSJPJCIHDH-UHFFFAOYSA-N
-rxn:2:126170:147430,CCCC(C(Nc1nn(-c2cnccc2OC)c2c1C1CC1C2)c1ccc2c(c1)CCC2)N1CCCC1,ZLHJFYMECNUCGG-UHFFFAOYSA-N
-rxn:2:126170:164034,CCCC(C(Nc1noc2cccc(OCC3CCCO3)c12)c1ccc2c(c1)CCC2)N1CCCC1,INBYYPVEDDYNLQ-UHFFFAOYSA-N
-rxn:2:126170:167511,CCCC(C(Nc1nn(-c2ccncc2OC)c2c1C1CC1C2)c1ccc2c(c1)CCC2)N1CCCC1,FSNVYDCGRSHZFA-UHFFFAOYSA-N
-rxn:2:126199:145352,CCCC(NC1c2ccc(OC)cc2CCC1N(C)C(C)C)c1ccc(-c2ccn(C3COC3)n2)cc1,LAOFMBHSMUGHLI-UHFFFAOYSA-N
-rxn:2:126600:136206,Cc1ccc(C(C)NCC(C2C3CC4CC(C3)CC2C4)N(C)C2CC2)c(OS(=O)(=O)F)c1,BVHUPJJRGZAFTJ-UHFFFAOYSA-N
-rxn:2:126812:172373,CCCC(C(Nc1ccc(OCC2CN(C)CCN2C)cn1)c1ccc2ccccc2c1)N1CCCC1,FTQPWTCOHNRJMA-UHFFFAOYSA-N
-rxn:2:126958:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3NC2CC3CCC(C2)N3C2COC2)cn1,UUOHCQPDVOTTFR-UHFFFAOYSA-N
-rxn:2:128441:127327,O=S(=O)(F)CCC(NCCCC1CCC(c2ccccn2)CC1)C1CC1,BQMJJWSZQJYDLS-UHFFFAOYSA-N
-rxn:2:129334:163067,CC(C)C(NCC1CN(CCN(C)C)CCC1(C)C)c1ccc(-c2nc3ccsc3c(=O)[nH]2)cc1,MRINLFCYBCGSIN-UHFFFAOYSA-N
-rxn:2:130197:158492,CCC(NCC(C)C(c1ccc2oc(=O)[nH]c2c1)N(C)C)c1ccc(N2CCN(C)CC2)nc1C,AQXIPOJIRZRLLY-UHFFFAOYSA-N
-rxn:2:130474:147225,CCCC1CCN(c2cc(CNC(C)c3cc(-c4ccnn4C4CCCC4)ccc3OC)ccn2)CC1,UOROAQUTQPODOL-UHFFFAOYSA-N
-rxn:2:130474:93297,CCCC1CCN(c2cc(CNC(CN3CCCCC3)c3ccc(OC)cc3)ccn2)CC1,YEMCMHPNDSSHQT-UHFFFAOYSA-N
-rxn:2:130642:81745,CC(=O)c1cncc(C#CCSC(C)NCc2cc(C(C)C)nn2CC2CC2(F)F)c1,PQUOMQRXIURRGP-UHFFFAOYSA-N
-rxn:2:132179:71364,CCC(CN1CCN(c2ncccn2)CC1)Nc1cc(CS(=O)(=O)C(C)C)ccc1OC,SGXUBMHLAHLAOX-UHFFFAOYSA-N
-rxn:2:132428:143818,CC(CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)NCc1cc(C2CCC2)nn1C1CCCOC1,YEYQBTIIRUMRIE-UHFFFAOYSA-N
-rxn:2:132749:148822,Cc1cc(C2CCCCC2)nc(CCNC(c2ccc(S(C)(=O)=O)cc2)C2CCCCC2)n1,KNYYGMZCYUAYLA-UHFFFAOYSA-N
-rxn:2:134212:114650,CCOCC1CCN(c2ccc(NC(c3ccc(CN4CCOCC4)cc3)C3CCCCC3)cn2)C1,OIECLVAZHVPULR-UHFFFAOYSA-N
-rxn:2:134302:110182,CCOCC1CCN(c2ncccc2NC(CC)C2(c3ccccc3)CCN(C)CC2)C1,OJHZRWRBUFAETJ-UHFFFAOYSA-N
-rxn:2:134425:158088,CCN1CCC(N(C)C2(CNC(C)c3cnc(-c4cc5cccc(OC)c5[nH]4)cn3)CCCC2)CC1,QOVSRYAZKNAHBY-UHFFFAOYSA-N
-rxn:2:135498:81627,CCC(C(NCC(c1ccccc1)N1CCN(C)CC1)c1ccc(OC)cc1)N1CCCC1,UOMJBZJQUXAWPQ-UHFFFAOYSA-N
-rxn:2:135517:141891,CCOc1ccccc1[C@@H](NC(c1ccc(C)c(C(C)(C)C)c1)C1CCCCC1)C1CCCC1,XWWDHGGDVABMKM-FLDQDSGZSA-N
-rxn:2:135647:149330,CCc1cnn(C(C)C2CCCOC2)c1NC(c1ccc(OC)cc1)c1ccccc1CN1CCCC1,PBKNPYJGMNJNNG-UHFFFAOYSA-N
-rxn:2:135672:143818,CC(CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)NCc1cn(C2CCN(C)CC2)nc1C1CC1,PLSUWMQIJOBYLJ-UHFFFAOYSA-N
-rxn:2:135885:173091,CCC(NC1CCc2cc(-c3cc(C)ccc3C)ccc2C1)C(N(C)C1CCCCC1)C(C)(C)C,IBFVEOKYLISVBS-UHFFFAOYSA-N
-rxn:2:136717:143818,CC(CNC(C)CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)Cc1nccc(C2CCN(C)CC2)n1,PPWNFQOKLIARII-UHFFFAOYSA-N
-rxn:2:137385:143818,CC(CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)NC(C)C(c1ccncc1)N(C)C1CCOCC1,FYMRMVRMWFGZFM-UHFFFAOYSA-N
-rxn:2:138115:149407,CC(CC12CC3CC(C1)CC(N(C)C)(C3)C2)NC(CC1=NCCO1)c1ccc2[nH]c(=O)[nH]c2c1,ICWMHKAXPATXRF-UHFFFAOYSA-N
-rxn:2:138182:143109,CC(C)CC(Nc1nc(CN2CCC(N(C)C)CC2)cs1)c1ccc2c(c1)nc(C1CC1)n2C,QYVDWJZJPKJGJT-UHFFFAOYSA-N
-rxn:2:138182:144270,CC(=O)c1cccc(C2C(CSC(C)Nc3nc(CN4CCC(N(C)C)CC4)cs3)C2(F)F)n1,YJNAVXZAVHGFFZ-UHFFFAOYSA-N
-rxn:2:139168:142505,CC(=O)c1ccc(C2C(CCSC(C)NC3(c4noc(C(C)C)n4)CCC3)C2(F)F)nc1,KEQDAOOKKIAADJ-UHFFFAOYSA-N
-rxn:2:139168:155396,CC(=O)c1ccc(C2C(CSC(C)NC3(c4noc(C(C)C)n4)CCC3)C2(F)F)nc1,OSQWVKXCGYMCEA-UHFFFAOYSA-N
-rxn:2:139274:153662,CCc1ccc(C(N[C@@H]2CC[C@H](CS(=O)(=O)F)C2)C23CN4CN(CN(C4)C2)C3)cc1,NQKNAYNHQVXEPY-PALXJHBUSA-N
-rxn:2:139338:171582,CCCC(C(Nc1cc(OC)ccc1N1CCCC1)c1ccc2c(c1)CCCC2)N1CCCC1,YKUKDXKWFGHYMN-UHFFFAOYSA-N
-rxn:2:139878:163343,CCc1ccc(OC)c(C2(CNC(C)c3ccc(OC)c(-c4cnc(N5CCCC5)nc4)c3)CCOCC2)c1,OCLHIZNMNVNZIQ-UHFFFAOYSA-N
-rxn:2:140006:167745,CON(C)C1CCC(NC(c2ccc(S(C)(=O)=O)cc2)C23CC(C2)C3)CC1,KSZWSNFMRSYRRC-UHFFFAOYSA-N
-rxn:2:140164:149130,CCc1nc2cc(C(CCN3CCCCC3)Nc3ccc(OC)c(N4CCOCC4)c3)ccc2[nH]1,KPLAIHSXHHJMCE-UHFFFAOYSA-N
-rxn:2:140628:160107,CC(C)C(NC(C)(C)CC(c1ccc2c(c1)CCC2)N(C)C)c1nnc2c(=O)c3c([nH]n12)CCC3,VIHDRGXFQDKSHO-UHFFFAOYSA-N
-rxn:2:143569:149822,CCC(Nc1cn(Cc2nnc3n2CCCCC3)nc1C)c1ccc(C2C(CSC(C)=O)C2(F)F)cc1,DUAHBPNSZVSUBV-UHFFFAOYSA-N
-rxn:2:143818:140741,CC(CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)Nc1cn(C2CCOC2)nc1CC1CCCC1,GWEBCWVVZIJJRG-UHFFFAOYSA-N
-rxn:2:144363:149426,CC(NC(c1ccc2[nH]c(=O)[nH]c2c1)C1CCCCO1)SCCC#Cc1ccc(C(=O)C2CC2)cc1,MNEZVEHBJXOJHU-UHFFFAOYSA-N
-rxn:2:147430:126170,CCCC(C(Nc1nn(-c2cnccc2OC)c2c1C1CC1C2)c1ccc2c(c1)CCC2)N1CCCC1,ZLHJFYMECNUCGG-UHFFFAOYSA-N
-rxn:2:147430:171582,CCCC(C(Nc1nn(-c2cnccc2OC)c2c1C1CC1C2)c1ccc2c(c1)CCCC2)N1CCCC1,VZOUKVFDRDFGDT-UHFFFAOYSA-N
-rxn:2:147801:81549,CC(CCc1csc(C2CCN(C)CC2)n1)NCc1ccc2cc[nH]c2c1N1CCN(C)CC1,IAZYTCCNFXHJME-UHFFFAOYSA-N
-rxn:2:149091:110396,CCC1CCCN(CCCC(C)NC(c2ccc3ccccc3n2)C2CCCC2)C1,GRHBZQNJWJEJDQ-UHFFFAOYSA-N
-rxn:2:149125:79757,CCOc1ccc(C(C)Nc2n[nH]c3cccc(N4CCCN(C)CC4)c23)cc1CN1CCCC1,ZYGUZPMFDCSONO-UHFFFAOYSA-N
-rxn:2:149822:155927,CCC(NC1(c2nc(-c3nncn3C3CC3)c[nH]2)CCC1)c1ccc(C2C(CSC(C)=O)C2(F)F)cc1,XQLIBJQLTOVQBU-UHFFFAOYSA-N
-rxn:2:154590:144616,CC(C)c1nc2cc(C(CCN3CCCCC3)NC3CC(c4nccc5c4ccn5C)CN(C)C3)ccc2[nH]1,WWLLLGJQIBSMAD-UHFFFAOYSA-N
-rxn:2:156863:131146,COc1cc(C(C)NC(C)(C)C(c2ccc3[nH]c(=O)[nH]c3c2)N(C)C)ccc1OCC1CCCN(C)C1,JTBDMYUFEZARHV-UHFFFAOYSA-N
-rxn:2:158492:125092,CC(CC(c1ccccn1)N1CCN(C)CC1)NCC(C)C(c1ccc2oc(=O)[nH]c2c1)N(C)C,NBSAVUJHDDBUPT-UHFFFAOYSA-N
-rxn:2:158492:154947,CC(CNC(CN1CCC(N(C)C)CC1)c1c[nH]c2ccccc12)C(c1ccc2oc(=O)[nH]c2c1)N(C)C,ZXWDZSYFEPLSPD-UHFFFAOYSA-N
-rxn:2:158894:104377,CN1CCCC(N(C)CC(NC(CN2CCCC2)c2ccc3[nH]c(=O)[nH]c3c2)c2ccccc2)C1,BTSYDNMMIXXXCM-UHFFFAOYSA-N
-rxn:2:161250:171582,CCCC(C(Nc1cn(-c2cnccc2OC)nc1C1CC1)c1ccc2c(c1)CCCC2)N1CCCC1,WIHOTAXDHJZODL-UHFFFAOYSA-N
-rxn:2:162441:103107,CCC(NCCC(c1ccc2c(c1)ncn2C)C1CCC1)c1cnc(N2CCN(C)CC2)c(C)c1,WLRXYRZJQOQASG-UHFFFAOYSA-N
-rxn:2:162441:125092,CC(CC(c1ccccn1)N1CCN(C)CC1)NCCC(c1ccc2c(c1)ncn2C)C1CCC1,RJSFEBSHAMOVEZ-UHFFFAOYSA-N
-rxn:2:164404:110396,CCC1CCCN(CCCC(C)N[C@H](c2ccc3ccccc3n2)C2CCCC2)C1,GRHBZQNJWJEJDQ-SRDVKXRDSA-N
-rxn:2:165579:171582,CCCC(C(Nc1c(C)c(C2CC2)nn1-c1cncc(OC)c1)c1ccc2c(c1)CCCC2)N1CCCC1,INWDGSDRVIPHBU-UHFFFAOYSA-N
-rxn:2:167112:117560,CCC(C)C(NC(c1cccc(CN2CCN(C)CC2)c1)C1CCCC1)c1nc2cnccc2c(=O)[nH]1,MAZAJVASQLUJTH-UHFFFAOYSA-N
-rxn:2:167511:171582,CCCC(C(Nc1nn(-c2ccncc2OC)c2c1C1CC1C2)c1ccc2c(c1)CCCC2)N1CCCC1,TZKWZBVATVMCGZ-UHFFFAOYSA-N
-rxn:2:66038:152826,CC(NC1CCC(OS(C)(=O)=O)CC1)c1cc(-c2ccnc(N3CCOCC3)c2)cs1,QVVTXOQBGHQDFV-UHFFFAOYSA-N
-rxn:2:66420:90096,Cc1cccc(C(Nc2c(S(C)(=O)=O)cnn2C2CCCCC2)C23CC4CC(CC(C4)C2)C3)c1,ULGMCZYQXRTWTF-UHFFFAOYSA-N
-rxn:2:66905:140202,CC(NC1CCC(N(C)C2CCCCC2)CC1)c1ccc(OS(C)(=O)=O)cc1,VSWXGEPXZDSCCY-UHFFFAOYSA-N
-rxn:2:66913:144063,COC1CCOC2(CCN(CCNC(C)c3ccccc3-c3ccc(S(C)(=O)=O)nc3)C2)C1,KXRZOEWQSCDENC-UHFFFAOYSA-N
-rxn:2:67412:136206,CN(C1CC1)C(CNC1C[C@H]2CC[C@]1(CS(=O)(=O)F)C2(C)C)C1C2CC3CC(C2)CC1C3,NKNXTWJJXPYULT-SZANLNTNSA-N
-rxn:2:67601:155396,CC(=O)c1ccc(C2C(CSC(C)NCC(c3[nH]nc(C)c3C)C3CCCC3)C2(F)F)nc1,MMGXWYKCFBYEDI-UHFFFAOYSA-N
-rxn:2:67710:172373,CCCC(C(NCC1CCCN(c2cccc(OC)n2)C1)c1ccc2ccccc2c1)N1CCCC1,IHVAVTUWQVQQOB-UHFFFAOYSA-N
-rxn:2:68813:162580,CCC(NCC(N(C)OC)C12CC3CC(CC(C3)C1)C2)c1ccc(N2CCS(=O)(=O)CC2)nc1,DYGSKZNTSHPVME-UHFFFAOYSA-N
-rxn:2:68813:173118,CCC(NCC(N(C)OC)C12CC3CC(CC(C3)C1)C2)c1ccc(-c2cc3cn[nH]c3cc2C)cc1,IGJKJNUGJLEYSD-UHFFFAOYSA-N
-rxn:2:68813:80091,CCS(=O)(=O)c1ccc(C(C)NCC(N(C)OC)C23CC4CC(CC(C4)C2)C3)cc1,VCVNXCHSFUDFSG-UHFFFAOYSA-N
-rxn:2:68813:84015,CON(C)C(CNC1CC2CC[C@@]1(CS(=O)(=O)[O-])C2(C)C)C12CC3CC(CC(C3)C1)C2,AKBILACXTJUPHS-ZJKXCFRESA-M
-rxn:2:68924:102793,CC(CC(C)(C)S(=O)(=O)c1cccs1)NCC(C)C12CC3CC(C1)CC(N(C)C)(C3)C2,NFFWSVQQIVIZHB-UHFFFAOYSA-N
-rxn:2:68924:118962,CC(CC(C)S(=O)(=O)c1cccs1)NCC(C)C12CC3CC(C1)CC(N(C)C)(C3)C2,PIAYTQKCUXBRFA-UHFFFAOYSA-N
-rxn:2:68924:149407,CC(CNC(CC1=NCCO1)c1ccc2[nH]c(=O)[nH]c2c1)C12CC3CC(C1)CC(N(C)C)(C3)C2,KOVAFYKJJIPPMB-UHFFFAOYSA-N
-rxn:2:69069:126600,Cc1ccc(C(C)NC2C3CCCC2CN(C2CC2)C3)c(OS(=O)(=O)F)c1,POKDBVCIPWAWTR-UHFFFAOYSA-N
-rxn:2:69563:106168,CCC1CC(C(NC(C)c2ccccc2OCC2CCCCN2C)c2ccnn2C)C1,UVNYKTNMVXNJLB-UHFFFAOYSA-N
-rxn:2:70312:126170,CCCC(C(Nc1cnccc1OCC1CCCC1)c1ccc2c(c1)CCC2)N1CCCC1,RUJBKNIUDSWVDQ-UHFFFAOYSA-N
-rxn:2:70312:171582,CCCC(C(Nc1cnccc1OCC1CCCC1)c1ccc2c(c1)CCCC2)N1CCCC1,LTVJTSDCMABGAO-UHFFFAOYSA-N
-rxn:2:70683:79402,COCc1cc(OS(=O)(=O)F)ccc1NC1CCC(c2nccc(C3CCN(C)C3)n2)CC1,QUSCURMFORSLNL-UHFFFAOYSA-N
-rxn:2:71316:153662,CCc1ccc(C(NCC(C2CCCC2)S(=O)(=O)CC)C23CN4CN(CN(C4)C2)C3)cc1,QQVBYJOHHDNXSO-UHFFFAOYSA-N
-rxn:2:71908:111675,CC[C@H](NC1CCC(c2nccc(C3CCCCC3)n2)CC1)c1ccc(O[Si](C)(C)C)cc1,RCRKUMVHFCUDDH-RSMFLLDRSA-N
-rxn:2:71908:73947,CC[C@@H](NC1CCC(c2nccc(C3CCCCC3)n2)CC1)c1ccc(O[Si](C)(C)C)cc1,RCRKUMVHFCUDDH-YIQFJJPYSA-N
-rxn:2:72120:131786,CC(Nc1[nH]nc2c1CN(CCCN(C)C)CC2)c1cccc(C(F)C2CCN(C)CC2)c1,GZMPHSBEJMOHPH-UHFFFAOYSA-N
-rxn:2:72250:143818,CC(CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)NCc1ccc2c(c1)OC(C)CN2CCN(C)C,XVSKZDZBBWCCMY-UHFFFAOYSA-N
-rxn:2:72752:164411,Cc1ccc(C(COCC2CCCO2)NC2CC(C(c3ccc4[nH]cnc4c3)N(C)C)C2)cc1C,WPBZPKLSYSUETJ-UHFFFAOYSA-N
-rxn:2:74090:144460,CCC(NC1(c2ncc[nH]2)CC(C)CC(C)C1)c1cccc(C2C(CSC(C)=O)C2(F)F)c1,UVGGUWSKXKLDFM-UHFFFAOYSA-N
-rxn:2:74201:147508,COc1ccc(C(CN2CCCCC2)NC(C)c2ccc(OC)c(-c3cnn(C4CCCC4)c3)c2)cc1,WUVFRYJRSVFMDH-UHFFFAOYSA-N
-rxn:2:74228:158492,CC(CNC(c1ncc(N2C3CCC2COC3)cn1)C1CC1)C(c1ccc2oc(=O)[nH]c2c1)N(C)C,FFERZORJVOESOW-UHFFFAOYSA-N
-rxn:2:74747:86285,CC(C)CC12CC3CC(C1)C(CC(C)NC1C[C@H]4CC[C@]1(CS(=O)(=O)[O-])C4(C)C)C(C3)C2,CJUIRPJNSFDBSI-UYFRIOFYSA-M
-rxn:2:75003:149683,CCCC(NC(CN(C)C1CCN(C)CC1)C(C)C)c1ccc(-c2ccc3[nH][nH]c(=O)c3c2)cc1,QXXQPXVLTKYTOY-UHFFFAOYSA-N
-rxn:2:75460:143818,CC(CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)Nc1c(C2CC2)cnn1C(C)C1CCCCC1,WINCIJUOLXQQOX-UHFFFAOYSA-N
-rxn:2:75568:144363,CC(CN(C)C)C(NC(c1ccc2[nH]c(=O)[nH]c2c1)C1CCCCO1)c1ccc2c(c1)OCCO2,WZEMOLXGDXTALO-UHFFFAOYSA-N
-rxn:2:75568:156863,CC(CN(C)C)C(NC(C)(C)C(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)c1ccc2c(c1)OCCO2,MUTKLSKWBRBLSV-UHFFFAOYSA-N
-rxn:2:75598:153662,CCc1ccc(C(NCC2(OC)CCS(=O)(=O)C2C)C23CN4CN(CN(C4)C2)C3)cc1,WXVUVRONLTXCHE-UHFFFAOYSA-N
-rxn:2:75852:117068,CCCC(NC1(CN(C)Cc2ccc3c(c2)CCCC3)CC1)c1cc(C)cc2c1OCCCC2,SITCMOCRPCUNNS-UHFFFAOYSA-N
-rxn:2:75907:136206,CC(NCC(C1C2CC3CC(C2)CC1C3)N(C)C1CC1)c1coc(COS(C)(=O)=O)n1,SYLDMAKHMLDHEE-UHFFFAOYSA-N
-rxn:2:76335:143818,CC(CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)Nc1c(C2CCCCC2)cnn1C(C)C1CC1,RINLXDMKCFZQLG-UHFFFAOYSA-N
-rxn:2:76442:147356,CCN1CCC(N(C)CCC(C)Nc2ccc(-c3nnc(C(C)C)s3)cc2OC)CC1,SZGQPGVVSFWQFW-UHFFFAOYSA-N
-rxn:2:76663:151487,CC(NCC(C)(C)CS(=O)(=O)C1CCCN(C)C1)c1sccc1-c1cnc(N2CCOCC2)nc1,LVKJXSQNVOSUFG-UHFFFAOYSA-N
-rxn:2:76663:156087,CC(NCC(C)(C)CS(=O)(=O)C1CCCN(C)C1)c1csc(-c2cnc(N3CCCCC3)nc2)c1,ZKASBUCOZGMMGB-UHFFFAOYSA-N
-rxn:2:76792:105421,CC(C)C1CC(C(NC(CN2CCCN(C)CC2)c2ccc[nH]2)c2ccnn2C)C1,LCOJYKLIZKPYHB-UHFFFAOYSA-N
-rxn:2:77594:166663,CC(NC(C#CN1CCN(C)CC1)c1ccc2[nH]cnc2c1)c1cccc(C23CCN(C)CC2C3)c1,VYRYRLHAYYYNFN-UHFFFAOYSA-N
-rxn:2:77613:145364,COCC(NC(CN1CCCCC1)c1ccc2[nH]c(C3CC3)nc2c1)c1ccc2c(c1)CCC(C)(C)O2,OBTDWMYVBAXPBR-UHFFFAOYSA-N
-rxn:2:77613:151898,COCC(NC(C)c1ccnc(-c2ccccc2CN2CCOCC2)c1)c1ccc2c(c1)CCC(C)(C)O2,MVPIDVPNPDHEDS-UHFFFAOYSA-N
-rxn:2:77628:143818,CC(CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)NCC(c1cccnc1)N(C)C1CCCN(C)C1,QHSRVIHJJXUSAU-UHFFFAOYSA-N
-rxn:2:78137:171582,CCCC(C(Nc1cc(OC)ccc1N1CCOCC1)c1ccc2c(c1)CCCC2)N1CCCC1,ONBQZANTVOJWND-UHFFFAOYSA-N
-rxn:2:78409:165358,CC(NCC(c1cnn(C)c1)N(C)C1CCSC1)SCC#Cc1ccc2c(c1)C(=O)CC2,YZKZBWMTMNEJAK-UHFFFAOYSA-N
-rxn:2:78422:163067,CC(C)C(NCC1CN(CCN(C)C)CC(C)(C)CN1C)c1ccc(-c2nc3ccsc3c(=O)[nH]2)cc1,IYMRKUWVSHGKSJ-UHFFFAOYSA-N
-rxn:2:78525:75003,CC(C)C(CN(C)C1CCN(C)CC1)NC(c1ncc[nH]1)C(C)(C)F,YRROYHUPJDYBBV-UHFFFAOYSA-N
-rxn:2:78620:123308,C=C=Cc1ccc(C(NCC2(OC)COCCOC2)C(C)C2CC2)cc1,PEJCIIXRDJBHJW-UHFFFAOYSA-N
-rxn:2:78620:172373,CCCC(C(NCC1(OC)COCCOC1)c1ccc2ccccc2c1)N1CCCC1,RXJBRTQJXDFUAC-UHFFFAOYSA-N
-rxn:2:78848:144237,CC(=O)c1cncc(C2C(CSC(C)NCC3(CN(C)C)CC3)C2(F)F)c1,GREAJCNHFZACGQ-UHFFFAOYSA-N
-rxn:2:78859:163067,CC(C)CN1C(C)CN(C)CC1CCNC(c1ccc(-c2nc3ccsc3c(=O)[nH]2)cc1)C(C)C,SLAFZFLFUQMEFM-UHFFFAOYSA-N
-rxn:2:78919:83167,CCCC[C@H]1CC[C@H](C2CCC(Nc3cccc(C4(OC)CCC4)c3)CC2)CC1,BSYUXABDOWSCBA-SHNGIDQASA-N
-rxn:2:79287:116126,CN(C1CCOCC1)C(C)(CNC(CS(C)(=O)=O)c1ccncc1)C1CC1,VBVPJATWAQROGV-UHFFFAOYSA-N
-rxn:2:79466:136378,CC1CCCC(N(C)C(CNC2CCN(CCOS(C)(=O)=O)CC2)c2ccccn2)C1,VASZIYILIXZWGU-UHFFFAOYSA-N
-rxn:2:79676:133895,COC(C)c1nc(NC(CO[Si](C)(C)C(C)(C)C)c2ccccn2)cc(C2CCCC2)n1,YGVDMVUANLYGRE-UHFFFAOYSA-N
-rxn:2:79732:73710,CCCN1CCCCC1c1ccc(NC(CC)c2cccc(N3CCCCC3)c2)nc1C,IJWBHKRMENQCLR-UHFFFAOYSA-N
-rxn:2:79800:146246,CC(NCCS(=O)(=O)N=S(C)(C)=O)c1ccnc(-c2ccc(OC3CCOCC3)nc2)c1,TYZFLAXFWULAPG-UHFFFAOYSA-N
-rxn:2:79800:150092,CC(NCCS(=O)(=O)N=S(C)(C)=O)c1cnc(-c2ccc(OC3CCOCC3)nc2)cn1,UFQYCLZERXNXTI-UHFFFAOYSA-N
-rxn:2:79800:160527,CC(C1CC1)C(NCCS(=O)(=O)N=S(C)(C)=O)c1ccc(-c2ccn(C3COC3)n2)cc1,HLCKUNCGIOCHCV-UHFFFAOYSA-N
-rxn:2:79800:161062,CC(C)c1nc(-c2ccncc2)cc(N2CCC(NCCS(=O)(=O)N=S(C)(C)=O)CC2)n1,UMWHPMHFNYOWHA-UHFFFAOYSA-N
-rxn:2:79800:161165,CC(C)c1cc(N2CCC(NCCS(=O)(=O)N=S(C)(C)=O)CC2)nc(-c2ccncc2)n1,QMYAGALMSVWELC-UHFFFAOYSA-N
-rxn:2:79800:167688,Cc1cc(-c2cnc(N3CCOCC3)nc2)ccc1C(C)NCCS(=O)(=O)N=S(C)(C)=O,OLLHQKRLQGSXDO-UHFFFAOYSA-N
-rxn:2:79968:126196,Cc1ccc(C(NC2CCN(Cc3ccc(C(C)(C)C)cc3)CC2)C2CCCCCC2)cc1,PCUWBMHYTBIRGE-UHFFFAOYSA-N
-rxn:2:80003:72383,CCN(Cc1ccnc(NC(c2cnc(C3CC3)nc2OC)C(C)C)c1)C1CCCCC1,PIJKFTZIYMDPQI-UHFFFAOYSA-N
-rxn:2:80302:163067,CC(C)C(NCC1CN(C)CC(C)(C)N1CCN(C)C)c1ccc(-c2nc3ccsc3c(=O)[nH]2)cc1,UBLUKKZPXLXFCJ-UHFFFAOYSA-N
-rxn:2:80854:126600,Cc1ccc(C(C)NCC(C)N(C)C2C3CC4CC(C3)CC2C4)c(OS(=O)(=O)F)c1,ANWZVOZMITUJLU-UHFFFAOYSA-N
-rxn:2:81176:120275,COc1cccc2c1CC(C)(C)CC2NC(c1ccc(CN2CCSCC2)cc1)C1CC1,KSNQJJCZOBKSHM-UHFFFAOYSA-N
-rxn:2:81458:143818,CC(CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)Nc1c(C2CCC2)cnn1C(C)C1CCCC1,KIAAGUXKSOTSEV-UHFFFAOYSA-N
-rxn:2:81627:118357,CCC(C(Nc1cc2c(cc1N1CCCCC1)OCO2)c1ccc(OC)cc1)N1CCCC1,WWDDRAXHLAFJPW-UHFFFAOYSA-N
-rxn:2:81706:112168,Cc1cc(C(CN(C)C2CC2)NCC2(C(c3ccc[nH]3)N(C)C)COC2)c(C)n1C,CSJMYRIINJNOSL-UHFFFAOYSA-N
-rxn:2:81735:149971,CC(NC1CC(C(C2CCN(C)C2)N(C)C)C1)c1cc(-c2ccnc(N3CCN(C)CC3)c2)ccn1,SRRPNAPPLJDFIQ-UHFFFAOYSA-N
-rxn:2:81735:150007,CCC(NC1CC(C(C2CCN(C)C2)N(C)C)C1)c1cccc(-c2cnn(CC3CC3)c2)c1,HDFYZXXHVGWRKT-UHFFFAOYSA-N
-rxn:2:81735:156370,CC(CCCc1nc2ccccc2c(=O)[nH]1)NC1CC(C(C2CCN(C)C2)N(C)C)C1,WQADAHBBDLCHAX-UHFFFAOYSA-N
-rxn:2:81735:169371,CCCC(NC1CC(C(C2CCN(C)C2)N(C)C)C1)c1ccc(-c2cn[nH]c2C(C)C)cc1,XPPNXTJCFJSHRJ-UHFFFAOYSA-N
-rxn:2:83167:116804,CCC[C@H]1CC[C@H](C2CCC(Nc3cccc(C4(OC)CCC4)c3)CC2)CC1,XGQQOMBRMIGDAV-HJJGQMIRSA-N
-rxn:2:83263:150671,CC(C)CC(NC1CCN(CCCCN(C)C)C(C)C1)c1nc2cnccc2c(=O)[nH]1,XKEKFCZDDFGBIU-UHFFFAOYSA-N
-rxn:2:83562:129082,CCc1ccc(C(CN2CCOCC2)NCc2cccnc2N2CCC(OC)CC2)cc1,ITHCWUZPRFLSJC-UHFFFAOYSA-N
-rxn:2:83616:149130,CCc1nc2cc(C(CCN3CCCCC3)N[C@H](c3ccc(OC)nc3)C3CCCCC3)ccc2[nH]1,YWYQFKAKFQNJGI-QNGSWNHHSA-N
-rxn:2:84015:137055,CC(C)C12CC3CC(C1)CC(C(C)CNC1CC4CC[C@@]1(CS(=O)(=O)[O-])C4(C)C)(C3)C2,YVDURVPSMWCUSY-RNODCTFHSA-M
-rxn:2:84015:86554,CC1CCC(N(C)C(CNC2CC3CC[C@@]2(CS(=O)(=O)[O-])C3(C)C)c2ccncc2)CC1,VRQOVOWNFTYKLO-XBKYUWCFSA-M
-rxn:2:84373:80902,CC(C)CSC(=N)C(F)(F)c1ccc(C(C)NC2C(=O)SC2(C)C)cn1,ATLRUPKOJJEJHE-UHFFFAOYSA-N
-rxn:2:85307:153662,CCc1ccc(C(NCC(C2CCCCC2)S(=O)(=O)CC)C23CN4CN(CN(C4)C2)C3)cc1,JFIOHPYHEAOOKR-UHFFFAOYSA-N
-rxn:2:85458:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3NCCN(C)C2CCC(N(C)C)CC2)cn1,JPBVHFLNPQYCID-UHFFFAOYSA-N
-rxn:2:86047:80114,CN1CCCC1c1n[nH]c2c1C(N[C@@H](c1ccc(O[Si](C)(C)C)cc1)C1CC1)CCC2,IECROSYZXXSBTG-LLAFXHEGSA-N
-rxn:2:86285:74747,CC(C)CC12CC3CC(C1)C(CC(C)NC1C[C@H]4CC[C@]1(CS(=O)(=O)[O-])C4(C)C)C(C3)C2,CJUIRPJNSFDBSI-UYFRIOFYSA-M
-rxn:2:86319:164411,CCC(NC1CC(C(c2ccc3[nH]cnc3c2)N(C)C)C1)c1ccc(SC2CCCCC2)nc1C,UGIIMGHHNYSFCV-UHFFFAOYSA-N
-rxn:2:86416:152388,CC(NCC1(C(C2CCN(C)CC2)N(C)C)CCC1)c1ccc(-c2cc3[nH]c(=O)[nH]c3cn2)s1,BAFOSAMTEIZHHL-UHFFFAOYSA-N
-rxn:2:86737:152258,CCC(Nc1ccc(N2CCOC(C)(C)C2)cc1OC)c1cccc(-c2cnc(N3CCOCC3)nc2)c1,JLBPVLBLNSOWMF-UHFFFAOYSA-N
-rxn:2:86941:147968,CCCCC(/N=c1\ncc2c([nH]1)CC(C)(C)CC2=O)NCC(F)(F)c1ccc(OC(C)C)cc1,DBTZUJFCOUZMHL-UHFFFAOYSA-N
-rxn:2:87110:145957,Cc1cc2c(cc1-c1ccnn1C1CCCCO1)C(Nc1cc(S(C)(=O)=O)ccc1OCC1CC1)CC2,PPJSUAYEFWYVOI-UHFFFAOYSA-N
-rxn:2:87172:100768,CC(C)Cn1nc2c(c1NC(CN(C)C1CCN(C)CC1)c1cccn1C)CSC2,PKWKZRYANUUOKL-UHFFFAOYSA-N
-rxn:2:88336:170234,CCCC(C(Nc1ccc2c(n1)N(C1CCN(C)CC1)CCO2)c1cccc2ccccc12)N1CCCC1,DUBCTEZLPZUCMX-UHFFFAOYSA-N
-rxn:2:88553:103186,CCC(C(Nc1ccc(N2CCOCC2)nc1OC)c1ccccc1)N1CCOCC1C,GETWDNNXBIGXMJ-UHFFFAOYSA-N
-rxn:2:88607:152388,CC(NCC1(N(C)C)CCN(C2CCCCCC2)C1)c1ccc(-c2cc3[nH]c(=O)[nH]c3cn2)s1,PJOATPFBMRUIAA-UHFFFAOYSA-N
-rxn:2:89364:102250,Cc1cc(C(C)(C)C)cc(C)c1C(NC1c2ccccc2CC12CCCCC2)C1CCCC1,NHGGJCNMBRSAHY-UHFFFAOYSA-N
-rxn:2:89533:70751,CCN1CCN(c2nc(C)c(C(C)Nc3ccc(N4CCC(N(C)C)CC4)cc3)s2)CC1,ZJEXOQHURQWPJH-UHFFFAOYSA-N
-rxn:2:90506:170234,CCCC(C(Nc1ccnc(CN(C)C2CCN(C)CC2)n1)c1cccc2ccccc12)N1CCCC1,MELJWZBDAFACJK-UHFFFAOYSA-N
-rxn:2:90556:123308,C=C=Cc1ccc(C(NCC2(OC)CCC23CCC3)C(C)C2CC2)cc1,BSBMHMXAVHSDRL-UHFFFAOYSA-N
-rxn:2:90620:119523,CC(C1CC(NC(CCCC2CCCCC2)c2ccccn2)C1)N(C)C,JYMBKMNPWKCCBF-UHFFFAOYSA-N
-rxn:2:90859:133895,CC(C)[C@@H](Cn1nc(C2CC2)ccc1=O)NC(CO[Si](C)(C)C(C)(C)C)c1ccccn1,OXNVXNYLDXVLPA-WTQRLHSKSA-N
-rxn:2:90998:163067,CC(C)C(NCC1CN(C)CC(C)(C)CN1CCN(C)C)c1ccc(-c2nc3ccsc3c(=O)[nH]2)cc1,KXCHGNPCGUBPRH-UHFFFAOYSA-N
-rxn:2:91160:107980,CC(C1CC1(F)F)n1ncc(C2CCC2)c1NC1CCC(N(C)CCN(C)C)CC1,PAXJKQWKZOJANE-UHFFFAOYSA-N
-rxn:2:91160:116823,CC(C)C(CSc1nccn1C)NC1CCC(N(C)CCN(C)C)CC1,UXQDRFOATSEOGQ-UHFFFAOYSA-N
-rxn:2:92092:163067,CC(CN1CCN(C2CCN(C)CC2)CC1)NC(c1ccc(-c2nc3ccsc3c(=O)[nH]2)cc1)C(C)C,OBZQRIBHGZKAPE-UHFFFAOYSA-N
-rxn:2:92312:118088,CCN(c1cn[nH]c1NC(C)SCC1C(c2ccsc2C(C)=O)C1(F)F)C1CCCCC1,RMFUJWMNUXGELA-UHFFFAOYSA-N
-rxn:2:92636:137264,CCS(=O)(=O)C1(CNC(c2cccnc2)C2CN3CCC2CC3)CC2(CC2)C1,NSSIVBVAQAWFDZ-UHFFFAOYSA-N
-rxn:2:92803:143818,CC1CCC(NC(C)CC(c2ccc3[nH]c(=O)[nH]c3c2)N(C)C)C(N(C)Cc2cnn(C)c2)C1,YOMOOXKTTQBJBP-UHFFFAOYSA-N
-rxn:2:93164:143818,CCC(NC(C)CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)C(c1cccnc1)N1CCCOCC1,SNZXGYDUMJMLJD-UHFFFAOYSA-N
-rxn:2:95576:162580,CCC(NCc1ccnc(N2CCN(C3CCC3)CC2)n1)c1ccc(N2CCS(=O)(=O)CC2)nc1,PDFMYIUZZUQNES-UHFFFAOYSA-N
-rxn:2:95923:171582,CCCC(C(NC1CCN(Cc2ccc(OC)cc2)CC1)c1ccc2c(c1)CCCC2)N1CCCC1,IEAIGDREFIZCEH-UHFFFAOYSA-N
-rxn:2:96509:133895,CC(C)(C)[Si](C)(C)OCC(NCCCc1nccc(C2CCOCC2)n1)c1ccccn1,KDPYCKASJVAQEN-UHFFFAOYSA-N
-rxn:2:96933:165358,CC(NCC(C)N(c1cn[nH]c1)C1CCSC1)SCC#Cc1ccc2c(c1)C(=O)CC2,YRDQVZLFDQBCKW-UHFFFAOYSA-N
-rxn:2:97037:143480,CC1Cc2nc(N3CCOCC3)ncc2C(NC2(C(c3ccc4oc(=O)[nH]c4c3)N(C)C)CC2)C1,QUHQREFBODPHIB-UHFFFAOYSA-N
-rxn:2:97227:131513,CCOCC1CCCN(c2ccc(NC(c3ccccc3)C(C)CN3CCN(C)CC3)cn2)C1,NIXVMSYOKJPWLS-UHFFFAOYSA-N
-rxn:2:97227:73328,CCOCC1CCCN(c2ccc(NC(c3ccccc3CN3CCN(C)CC3)C3CCCC3)cn2)C1,DBGXNVOSCSMVOJ-UHFFFAOYSA-N
-rxn:2:97326:149310,COCC1(NC(C)c2cccc(C3=N[C@@H](Cc4ccccc4)CO3)n2)CC(C[Si](C)(C)C)C1,NGWIFHJWTYGWKI-LPZULHGMSA-N
-rxn:2:97794:142563,Cc1[nH]c(-c2ccc3oc(=O)[nH]c3c2)cc1C(C)NCC1(C(C2CCN(C)CC2)N(C)C)CC1,TZZLVESDEVFYIX-UHFFFAOYSA-N
-rxn:2:97794:161441,Cc1c(C(C)NCC2(C(C3CCN(C)CC3)N(C)C)CC2)cc(-c2ccc3[nH]c(=O)[nH]c3c2)n1C,DKWXTTYJLXALMG-UHFFFAOYSA-N
-rxn:2:97794:167563,CCc1[nH]c(=O)[nH]c1C(NCC1(C(C2CCN(C)CC2)N(C)C)CC1)c1ccncc1,NDXKAPTVPRJKNK-UHFFFAOYSA-N
-rxn:2:98035:156343,CC(=O)c1ccc(C2C(CCSC(C)NC3(c4nc(C(C)C)nn4C)CCCC3)C2(F)F)cn1,BXMOOIWZXSCPER-UHFFFAOYSA-N
-rxn:2:98703:154594,CCS(=O)(=O)c1ccc(-c2ccc(C(C)NCCN(C3CC3)C3CCN(C)CC3)nc2)cn1,AYPZJVZVNQBFQE-UHFFFAOYSA-N
-rxn:2:98725:152052,CCCN1CCN(c2ccc(OC)cc2NC(C)c2cccc(-c3ccnc(N4CCOCC4)c3)c2C)CC1,AHMCQHAOQKOJCK-UHFFFAOYSA-N
-rxn:2:98725:155181,CCCN1CCN(c2ccc(OC)cc2NC(CC)c2ccc(-c3cnc(N4CCCCC4)nc3)cc2)CC1,WLUBUMXVFWPWDR-UHFFFAOYSA-N
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-rxn:1:65015:15763,N#Cc1c(N2CC(Cn3cc(-c4cn(-c5ccc(I)cc5)nc4CC4CCC4)nn3)CC2=O)sc2c1CCCCC2,NEWODSSSAKYUIO-UHFFFAOYSA-N
-rxn:1:65015:16123,N#Cc1c(N2CC(Cn3cc(-c4ccc(-n5cc(Br)c(CC6CCCC6)n5)cc4)nn3)CC2=O)sc2c1CCCCC2,NJAWQYNZLRTEMY-UHFFFAOYSA-N
-rxn:1:65015:16234,N#Cc1c(N2CC(Cn3cc(-c4ccc(-n5cc(Br)c(C6CCCCC6)n5)cc4)nn3)CC2=O)sc2c1CCCCC2,XAGTYEXCMMZXCI-UHFFFAOYSA-N
-rxn:1:65015:16580,N#Cc1c(N2CC(Cn3cc(-c4ccc(-n5ncc(Br)c5C5CCCC5)cc4)nn3)CC2=O)sc2c1CCCCC2,CAUQETXMWSQTOP-UHFFFAOYSA-N
-rxn:1:65145:29897,O=C1NCCCN(Cc2ccc(Cl)cn2)CCOc2ccccc2[C@H]2CCN(C(=O)c3cn(C4COC4)nn3)[C@@H]1C2,DZGBNJYAFPXBBT-RXFWQSSRSA-N
-rxn:1:65145:29898,O=C1NCCCN(Cc2ccc(F)cn2)CCOc2ccccc2[C@H]2CCN(C(=O)c3cn(C4COC4)nn3)[C@@H]1C2,MNHXDGIBVGLSBP-RXFWQSSRSA-N
-rxn:1:65649:29830,O=C(O)Cn1cc(C(=O)N2CC[C@H]3C[C@@H]2C(=O)NCCN(Cc2ccc(F)cn2)CCCOc2ccccc23)nn1,VRXGYQVTSSBCSQ-YADARESESA-N
-rxn:1:65649:29898,O=C(O)Cn1cc(C(=O)N2CC[C@H]3C[C@@H]2C(=O)NCCCN(Cc2ccc(F)cn2)CCOc2ccccc23)nn1,IBERHXHTUGFWIX-YADARESESA-N
-rxn:1:7619:59616,CC1(C)OB(C(F)=C(Cn2cc(CNC(=O)C3CSCN3)nn2)c2cccs2)OC1(C)C,ZURANRAWTOWJMH-UHFFFAOYSA-N
-rxn:1:909:62167,CC1CC(C)(C)CC(O)(c2cn(C3[C@H]4C[C@@H]5C[C@@H](C[C@H]3C5)C4)nn2)C1,RCVDLLWZJPNXIE-GHDDFKHPSA-N
-rxn:1:9860:41595,CCN1CCC2(CC1)CN(Cc1cn(CC=Cc3c[nH]c4ncc(Br)cc34)nn1)c1cc3c(cc1N2)CCCC3,SNBOLUVNMBZANM-UHFFFAOYSA-N
-rxn:2:100238:172152,CCC(CC)CN1CC(NC2CCc3ccc(-c4c5c(cc6c4CCC6)CCC5)cc32)C1,CWTWCDLUEGGVOE-UHFFFAOYSA-N
-rxn:2:101028:156343,CC(=O)c1ccc(C2C(CCSC(C)NC(C)c3nnc4n3CCCCC4)C2(F)F)cn1,NDZKGOLIMCZNQX-UHFFFAOYSA-N
-rxn:2:101834:171582,CCCC(C(Nc1ccc2c(c1)CN(CC(C)C)CC2)c1ccc2c(c1)CCCC2)N1CCCC1,ZNUWMTAVCARTCD-UHFFFAOYSA-N
-rxn:2:102039:135343,CCN1CCN(c2ccc(NC3CC4CCC3(CS(=O)(=O)OC)C4(C)C)cn2)CC1,ACCGVYMOXDCHIC-UHFFFAOYSA-N
-rxn:2:102441:126170,CCCC(C(NC(C)(C)CN1Cc2ccccc2C1)c1ccc2c(c1)CCC2)N1CCCC1,KOXZATGBYLNHOK-UHFFFAOYSA-N
-rxn:2:102586:82688,CCc1cc(C(CC2=NCCO2)Nc2ncc(C(C)N3CCOCC3)c(C)n2)ccc1OC,BOVDIEVRHKTQOI-UHFFFAOYSA-N
-rxn:2:102788:129082,CCc1ccc(C(CN2CCOCC2)Nc2ccccc2N2CCC(C)(COC)CC2)cc1,UOWIAQZPNLMAMH-UHFFFAOYSA-N
-rxn:2:103666:133846,CC(C)CSC(=N)C(F)(F)c1cncc(C(C)Nc2nc3c(n(C(C)C)c2=O)CCC3)c1,GEDHRYUHWJLWGJ-UHFFFAOYSA-N
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-rxn:2:104695:113312,CCC(COS(C)(=O)=O)NCC(F)(F)CN1CCN2CCC1C2,DPQLWXQOAYQKAJ-UHFFFAOYSA-N
-rxn:2:104695:113487,CCC(COS(C)(=O)=O)NCC(F)(F)CN1CC2CCC1CC2,ATACSZMDAWKXBE-UHFFFAOYSA-N
-rxn:2:106290:84774,CCc1ccc(C(Nc2cccn(C3CCN(CC)CC3)c2=O)C(C)N(C)C(C)C)cc1,UZUPQEMZASXZOS-UHFFFAOYSA-N
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-rxn:2:106665:122881,CCC(Cc1cnc(N2CCN(C)CC2)nc1)NC(C)c1ccccc1OCC1CCCN(C)C1,XMVOSUAOSMYFTO-UHFFFAOYSA-N
-rxn:2:107980:158106,CCCCCC(Nc1c(C2CCC2)cnn1C(C)C1CC1(F)F)c1cn(C)c(=O)n(C)c1=O,SMCRCRMMHIBJDX-UHFFFAOYSA-N
-rxn:2:107980:162907,C=C=Cc1ccc(C(C)Nc2c(C3CCC3)cnn2C(C)C2CC2(F)F)c(-c2cc(=O)[nH]cc2OC)c1,UJSAAVWYAYSHLU-UHFFFAOYSA-N
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-rxn:2:109266:111979,CCC(NCc1ccc(C)c(S(C)(=O)=O)c1)C12CC3CC(CC(C3)C1)C2,ZMHRYSJMWZSAHR-UHFFFAOYSA-N
-rxn:2:109579:159696,CCCCC1CCC(c2cc(NC(C)c3ccc(-c4ccc(OC(C)C)nc4)c4c3OCO4)[nH]n2)CC1,QGXCBMLXNQITBV-UHFFFAOYSA-N
-rxn:2:109579:172744,CCCCC1CCC(c2cc(NC(C)c3ccc(-c4ccc(OC(C)C)cc4)c4c3OCO4)[nH]n2)CC1,ITEFLIMZNXZFDW-UHFFFAOYSA-N
-rxn:2:109579:72383,CCCCC1CCC(c2cc(NC(c3cnc(C4CC4)nc3OC)C(C)C)[nH]n2)CC1,OTTFYAVLIKHKRH-UHFFFAOYSA-N
-rxn:2:109760:129764,CCCCN1CCN(c2cc(NC(C)Oc3ccc(C(=O)C4(C)CC4)cc3)ccn2)CC1,NDIKSUKDEITAPA-UHFFFAOYSA-N
-rxn:2:110730:144920,CC(C)CC1(NC(C)c2c(-c3cccc(OC(C)C)c3)cn[nH]c2=O)CCC(F)(F)CC1,RZKLBNWWWBYJOX-UHFFFAOYSA-N
-rxn:2:112036:142451,CC(=O)c1cncc(C2C(CCSC(C)Nc3nn(CC4(C)CCC4)cc3C)C2(F)F)c1,IXVKSYPKKGEFOP-UHFFFAOYSA-N
-rxn:2:113238:135500,CC(C)CSC(=N)C(F)(F)c1cccc(C(C)NC2(c3nc(C(C)C)cc(=O)[nH]3)CCCCC2)c1,IAUYZCAEHUYBBT-UHFFFAOYSA-N
-rxn:2:113527:149518,CC(NCc1ccnc(N2CCC(N(C)C)CC2)n1)c1ccc(N2CCS(=O)(=O)CC2)cc1,FHCYFBRHCNVEIJ-UHFFFAOYSA-N
-rxn:2:113756:123221,CCCC(N[C@@H](c1ccc(C(C)(C)C)cc1)C1CCCC1)C1CCCN(C2CCCCC2)C1,VWGNTNKXAFWJBR-WCWQYMDXSA-N
-rxn:2:113756:72369,Cc1ccc(C(COC2CCCC2)N[C@@H](c2ccc(C(C)(C)C)cc2)C2CCCC2)cc1C,MRSSVLTXWPERMS-BDCODIICSA-N
-rxn:2:114383:133895,CN1CC(n2ncc(C3CCC3)c2NC(CO[Si](C)(C)C(C)(C)C)c2ccccn2)C1,OEGMFTZSGVMBFY-UHFFFAOYSA-N
-rxn:2:115389:121225,CCC(C(Nc1ccc(OCC2CC(C)C2)nc1)c1ccc2c(c1)CCCC2)N1CCCC1,NWVSYSZMJDZVLM-UHFFFAOYSA-N
-rxn:2:115621:138561,CC(CCS(=O)(=O)c1ccccc1)NC1C2CN3CCN(C2)CC1(C(C)C)C3,NDSOFIMVXXDNJX-UHFFFAOYSA-N
-rxn:2:115849:130941,CCOCC1CN(c2ncccc2NC(C)c2cnc(N3CCCCC3)nc2C)CC1C,QUKSOMCWYHUZFS-UHFFFAOYSA-N
-rxn:2:115849:98451,CCOCC1CN(c2ncccc2NC(C)Oc2cccc(OC)c2C(=O)C(C)(C)C)CC1C,CXDMGSVLMYZOKR-UHFFFAOYSA-N
-rxn:2:117066:127231,CC(CC(C1CCOCC1)N(C)C)NC(C)c1ccc(OS(=O)(=O)[O-])cc1,CXVHSTTYHBKDQV-UHFFFAOYSA-M
-rxn:2:117273:118288,CC(Nc1cc(=O)[nH]n1C(C)C(C)C)SCC12CC(=O)CC(CN(C)C1)C2(F)F,MWPLUXYUBGNYPK-UHFFFAOYSA-N
-rxn:2:117528:135263,CCCC(C(NCC1CN(C)CC12CCOCC2)c1ccccc1)N1CCCC1,GMKJPEXMUXBBKA-UHFFFAOYSA-N
-rxn:2:117798:103186,CCC(C(Nc1cccnc1OCC1CCOCC1)c1ccccc1)N1CCOCC1C,IZXPTNCQHKBQTD-UHFFFAOYSA-N
-rxn:2:117825:147291,CCOCC1CCCN(c2ncccc2NC(CCN2CCN(C)CC2)c2ccc3c(c2)OCCO3)C1,QQJAAHWMSYXPQQ-UHFFFAOYSA-N
-rxn:2:117825:173222,CCOCC1CCCN(c2ncccc2NC(CC)c2ccc3[nH]c(C4CCCCC4)nc3c2)C1,IBDMJRJWLVUSNF-UHFFFAOYSA-N
-rxn:2:118962:123990,CC(CC(C)S(=O)(=O)c1cccs1)NCCO[Si]12OCCN(CCO1)CCO2,WPCMAEWVIPAYLJ-UHFFFAOYSA-N
-rxn:2:119568:130197,CCC(NC(C)c1ccc(OCC2CCCN(C)C2)cc1)c1ccc(N2CCN(C)CC2)nc1C,IWMIVKKHEYOLMN-UHFFFAOYSA-N
-rxn:2:122133:139138,CC(C)C(CNC1CC2CCC1(CS(=O)(=O)[O-])C2(C)C)OC12CC3CC(CC(C3)C1)C2,DYLROQABLIMJKT-UHFFFAOYSA-M
-rxn:2:123126:147496,CCCC1CC(C(Nc2cnc(C3CCN(C)CC3)cc2OC(C)C)c2nc3ccccc3o2)C1,QTAZEBQAJXDATN-UHFFFAOYSA-N
-rxn:2:123347:171582,CCCC(C(Nc1c2c(cc3c1CC(F)C3)CCC2)c1ccc2c(c1)CCCC2)N1CCCC1,QDSLXCYRGMZAEU-UHFFFAOYSA-N
-rxn:2:124753:152761,CC(=O)c1cccc(C2C(CCSC(C)Nc3nc(N4CCOCC4)[nH]c(=O)c3C)C2(F)F)n1,DSDVLMDZKVRZDY-UHFFFAOYSA-N
-rxn:2:125736:90096,CCS(=O)(=O)c1cnc(NC(c2cccc(C)c2)C23CC4CC(CC(C4)C2)C3)c(OC)c1,QFMKRWDPJHGRHJ-UHFFFAOYSA-N
-rxn:2:125823:143784,CCC(NC1(Cc2ccncc2)CCC(F)(F)CC1)c1ccc2oc(=O)c(=O)n(OCC(C)C)c2c1,VSRNVAAXUBOGMF-UHFFFAOYSA-N
-rxn:2:125823:151596,CC(CCCCn1c(=O)c2ncn(C)c2n(C)c1=O)NC1(Cc2ccncc2)CCC(F)(F)CC1,WWRIPKOSWPGDFB-UHFFFAOYSA-N
-rxn:2:125823:168769,CC(CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)NC1(Cc2ccncc2)CCC(F)(F)CC1,UYVJZNOKLVDMHU-UHFFFAOYSA-N
-rxn:2:126170:142062,CCCC(C(Nc1cccnc1OCC1CC(C)C1)c1ccc2c(c1)CCC2)N1CCCC1,CTZJNSISRBGQLR-UHFFFAOYSA-N
-rxn:2:126170:146520,CCCC(C(Nc1cccc2c(OC3CCCC3)ccnc12)c1ccc2c(c1)CCC2)N1CCCC1,WDECMUXVTUXDDS-UHFFFAOYSA-N
-rxn:2:126170:159514,CCCC(C(Nc1ccc(OC2CCCCC2)c2cccnc12)c1ccc2c(c1)CCC2)N1CCCC1,SCRUCJKHMWAIKG-UHFFFAOYSA-N
-rxn:2:126170:167753,CCCC(C(Nc1ccc(OC2CCCC2)c2ccncc12)c1ccc2c(c1)CCC2)N1CCCC1,HKAVBCUUIAETPZ-UHFFFAOYSA-N
-rxn:2:126170:168125,CCCC(C(Nc1ccc(COC2CCCC2)c2ncccc12)c1ccc2c(c1)CCC2)N1CCCC1,AJUZFLZPEXMPSI-UHFFFAOYSA-N
-rxn:2:126327:170909,CCCC(NCC1(N2CCOCC2CC)CCN(C)C1)c1ccc(-c2ccc3c(cnn3C)c2)cc1,RYHLKNHSGZLLQT-UHFFFAOYSA-N
-rxn:2:126812:172731,CCCCC1CC(C(Nc2ccc(OCC3CN(C)CCN3C)cn2)c2nc3ccccc3o2)C1,AMDAIYJPEVGFMD-UHFFFAOYSA-N
-rxn:2:127788:133895,CCCc1cc(C)nc(C2CCC(NC(CO[Si](C)(C)C(C)(C)C)c3ccccn3)CC2)n1,GXMAUIHWRVZFLR-UHFFFAOYSA-N
-rxn:2:128271:137912,CC(=O)c1cn([C@H]2C[C@H](CSC(C)NCCCN3CC(F)(F)C3)C2)nn1,MDDZKPVMVIPKKC-NJIVVBIYSA-N
-rxn:2:128748:152258,CCCOc1cc(N2CCN(C)CC2)ccc1NC(CC)c1cccc(-c2cnc(N3CCOCC3)nc2)c1,DVLZWAYAQKDNAJ-UHFFFAOYSA-N
-rxn:2:128748:159934,CCCOc1cc(N2CCN(C)CC2)ccc1NC(c1ccc(-c2ccnc(N3CCCC3)n2)cc1)C(C)C,ADZGLGSNXAMWSF-UHFFFAOYSA-N
-rxn:2:128939:149130,CCc1nc2cc(C(CCN3CCCCC3)NCC3C(c4ncccc4OC)C3(F)F)ccc2[nH]1,RCPHFJLFXHSKHP-UHFFFAOYSA-N
-rxn:2:129077:103186,CCC(C(NCC(C)(C)CN1CCN(c2ccccc2)CC1)c1ccccc1)N1CCOCC1C,KXKHETRQXPIGFN-UHFFFAOYSA-N
-rxn:2:129525:171582,CCCC(C(Nc1cncnc1OCC1CC1)c1ccc2c(c1)CCCC2)N1CCCC1,YGFXUDMGDJSFNY-UHFFFAOYSA-N
-rxn:2:130067:81745,CC(=O)c1cncc(C#CCSC(C)Nc2cnn(CCO[Si](C)(C)C(C)(C)C)c2)c1,SIYAGHPCUYGSCS-UHFFFAOYSA-N
-rxn:2:130474:102278,CCCC1CCN(c2cc(CNC(C)c3cc(C)ccc3OCC3CCCC3)ccn2)CC1,UJKNJMOYQRAWFA-UHFFFAOYSA-N
-rxn:2:131701:103652,CCCCC1CCC(c2ccc(C(C)Nc3ccccc3OC3CCN(C4CC4)CC3)cc2)CC1,RBGALLWVULMENR-UHFFFAOYSA-N
-rxn:2:132141:144825,CCCC(COC1CCC(C)CC1)Nc1cc(C2CC2)nn1-c1cnccc1C1CC1,VZXBFSSVEPDOKC-UHFFFAOYSA-N
-rxn:2:132141:147055,CCCC(COC1CCC(C)CC1)Nc1cn(-c2cncc(C3CC3)c2)nc1C1CC1,WJHDOWVIFSDGOA-UHFFFAOYSA-N
-rxn:2:132141:155546,CCCC(COC1CCC(C)CC1)Nc1cc(C2CC2)nn1-c1ccncc1C1CC1,AMTSZKMMHXKGRY-UHFFFAOYSA-N
-rxn:2:132454:114770,CCCC(N[C@@H](c1cccn1C)C1CCCCC1)C1CCCCN1C1CCC1,NARBWPRODLUIHN-OOEPIQFGSA-N
-rxn:2:132454:70249,CCCC(N[C@@H](c1cccn1C)C1CCCCC1)C1CCCCN1C1CCCC1,XIZFRIJRHZAJGA-YIQFJJPYSA-N
-rxn:2:133959:91257,CCc1ccc(C(C#CN2CCCCC2)Nc2ncccc2OC(=O)C(CC)CC)cc1,ZSSGNDYSOXZQOW-UHFFFAOYSA-N
-rxn:2:134087:117273,CC(C)CC[C@H](NC(C)SCC12CC(=O)CC(CN(C)C1)C2(F)F)c1ccc[nH]1,ASBBKXQCZIYXAD-BUIYBCASSA-N
-rxn:2:134212:109800,CCOCC1CCN(c2ccc(NC(c3ccccc3)C(CC)N3CCCOCC3)cn2)C1,SZRGESUJZYXLLS-UHFFFAOYSA-N
-rxn:2:134594:161239,CCN1CC2CN(C(C)C)CC(NC(CSc3n[nH]c(=O)[nH]c3=O)c3cccc(OC)c3)(C1)C2(F)F,MEKGXGIWBWHLPH-UHFFFAOYSA-N
-rxn:2:135616:82725,CCCCC(NCC1(CC)CCN(Cc2ccccc2)CC1)c1ccc2c(c1)CCCC2,RWHZCSCRIRHWQS-UHFFFAOYSA-N
-rxn:2:136717:152715,CCn1ncc(C)c1-c1cc2c(cc1OC)C(NCC(C)Cc1nccc(C3CCN(C)CC3)n1)CC2,XWFMYURFODNFGA-UHFFFAOYSA-N
-rxn:2:138305:172373,CCCC(C(Nc1c(C(C)C)ccnc1C1CCCCC1)c1ccc2ccccc2c1)N1CCCC1,WMFINDMZDXCQLL-UHFFFAOYSA-N
-rxn:2:138396:155634,CC(C)S(=O)(=O)c1ccc(C(NCCC(C)(C)c2nccc(C3CCCC3)n2)C2CCC2)cc1,RVQZFQARWJFDMO-UHFFFAOYSA-N
-rxn:2:138406:171582,CCCC(C(Nc1ccc2[nH]nc(OCC(C)C)c2c1)c1ccc2c(c1)CCCC2)N1CCCC1,CYUWLLKQUBDQQU-UHFFFAOYSA-N
-rxn:2:139138:130854,CCC(C)CC1(CNC2CC3CCC2(CS(=O)(=O)[O-])C3(C)C)CC2CCC1C2,FAGTUWQZOSBECK-UHFFFAOYSA-M
-rxn:2:139138:135948,CC(C)CCC1(CNC2CC3CCC2(CS(=O)(=O)[O-])C3(C)C)CC2CCC1C2,REYBCETZRDNFDR-UHFFFAOYSA-M
-rxn:2:139138:137310,CC(C)C(C)(CC1C2CC3CC(C2)CC1C3)NC1CC2CCC1(CS(=O)(=O)[O-])C2(C)C,PZODDUYUPGTVGX-UHFFFAOYSA-M
-rxn:2:140449:97977,CC(Nc1ccccc1OCCN1CCC(C)(C)CC1)c1csc(C2CCCCC2)n1,JRNNADKECXVORN-UHFFFAOYSA-N
-rxn:2:141236:135343,CCN1CCN(c2nccc(CNC3CC4CCC3(CS(=O)(=O)OC)C4(C)C)n2)CC1,IYAJURVUNJMRLH-UHFFFAOYSA-N
-rxn:2:141435:127812,CCC(Nc1ccc(N2CCC(C)C2)nc1OCC(C)C)C1CC1(C)C,UEOQAEZWFROAIE-UHFFFAOYSA-N
-rxn:2:141435:94440,CCC(Nc1ccc(N2CCC(C)C2)nc1OCC(C)C)c1ccc(N2CCN(C)CC2)nc1,HWWRLZMZLJIFEU-UHFFFAOYSA-N
-rxn:2:144363:91508,CC(C)(C)[Si](C)(C)Oc1ccc(C(CC2CC2)NC(c2ccc3[nH]c(=O)[nH]c3c2)C2CCCCO2)cc1,GNEZTIINLGKWIY-UHFFFAOYSA-N
-rxn:2:146520:171582,CCCC(C(Nc1cccc2c(OC3CCCC3)ccnc12)c1ccc2c(c1)CCCC2)N1CCCC1,BPXMGOODEIZOBO-UHFFFAOYSA-N
-rxn:2:148975:76014,COc1ccc(C(C(C)C)n2nccc2NC2CC(CO[Si](C)(C)C(C)(C)C)C2)cc1,XAGUWBWHZRSOPK-UHFFFAOYSA-N
-rxn:2:149454:83490,CCCC(C(NC1CN(C)CC1c1cccc2ccccc12)c1ccc2c(c1)CCO2)N1CCCC1,XFMQAOYYPKKSJV-UHFFFAOYSA-N
-rxn:2:149496:149822,CCC(NC1CC(C)(C)Cc2c1cc(C)n2-c1cnoc1)c1ccc(C2C(CSC(C)=O)C2(F)F)cc1,DVDFILLITLQGKX-UHFFFAOYSA-N
-rxn:2:150156:171582,CCCC(C(Nc1ccc(OC2CCC2)c2cccnc12)c1ccc2c(c1)CCCC2)N1CCCC1,RVZVTUNCEXESRY-UHFFFAOYSA-N
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-rxn:2:155275:171582,CCCC(C(Nc1ccc(OCC2CC2)c2cccnc12)c1ccc2c(c1)CCCC2)N1CCCC1,YNHHFKUWHAEICL-UHFFFAOYSA-N
-rxn:2:159514:171582,CCCC(C(Nc1ccc(OC2CCCCC2)c2cccnc12)c1ccc2c(c1)CCCC2)N1CCCC1,OIVQTIWJNZGECJ-UHFFFAOYSA-N
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-rxn:2:65970:68160,CCCC(Nc1ccc2c(c1)CCCN2CC)C1CCN(C2CCCCC2)C1,AYNNATCNZLKYHV-UHFFFAOYSA-N
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-rxn:2:74845:169230,CCC(NC(C)(C)CCc1nccc(C2CCN(C)C2)n1)c1cnc(N2CCCc3ccccc32)cc1C,MTFGRVWZTMYDKA-UHFFFAOYSA-N
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-rxn:2:75182:144920,CCC(CNC(C)c1c(-c2cccc(OC(C)C)c2)cn[nH]c1=O)CN1CCC(F)(F)CC1,ZXERHNRHEHSZJF-UHFFFAOYSA-N
-rxn:2:75279:149807,CCOCCC1(NC(c2ccc(-c3nc4nc[nH]c4c(=O)[nH]3)cc2)C(C)C)CCC(C(C)(C)C)CC1,ZAQFCNXULQAVKL-UHFFFAOYSA-N
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-rxn:2:78589:113144,CC(C)C(CCS(=O)(=O)F)NOC12CC3CC(CC(C3)C1)C2,FCQJXLWHYYNZJJ-UHFFFAOYSA-N
-rxn:2:78589:90524,CC(C)C(CCS(=O)(=O)F)NCCSC12CC3CC(CC(C3)C1)C2,JLHDGXHFWRGOOH-UHFFFAOYSA-N
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-rxn:2:79484:161083,CC(NCCCn1cnnc1C1CCC(F)(F)CC1)SCC#Cc1ccc2c(c1)CCC2=O,JHLDGQIJJGDSNS-UHFFFAOYSA-N
-rxn:2:79668:104681,CCC(C)C(C)n1ccc2c1CC(C)(C)CC2NCc1nccnc1OCC1CC(F)(F)C1,ITATVDCZNZRUFS-UHFFFAOYSA-N
-rxn:2:79865:161851,CCC(CC)CN1CCC(NC2CCc3ccc(-c4ccnc(N5CCCC5)n4)cc32)C1,SBUCUVJSCKQVIL-UHFFFAOYSA-N
-rxn:2:79869:126170,CCCC(C(Nc1ncccc1OCC1CC(F)C1)c1ccc2c(c1)CCC2)N1CCCC1,NWZSJXSJPWUGEE-UHFFFAOYSA-N
-rxn:2:79880:139138,CC1(C)C2CCC1(CS(=O)(=O)[O-])C(NCC(c1ccsc1)N1CCOCC1)C2,KAUYPCRKFAXSOT-UHFFFAOYSA-M
-rxn:2:79880:84015,CC1(C)C2CC[C@]1(CS(=O)(=O)[O-])C(NCC(c1ccsc1)N1CCOCC1)C2,KAUYPCRKFAXSOT-MPTUAUJUSA-M
-rxn:2:80429:137912,CC(=O)c1cn([C@H]2C[C@H](CSC(C)NCC(F)(F)CN3CC(C)SC(C)C3)C2)nn1,SWAPEWGAOVWUPC-LULVPGQRSA-N
-rxn:2:80429:91059,CC(=O)c1cn([C@H]2C[C@@H](CSC(C)NCC(F)(F)CN3CC(C)SC(C)C3)C2)nn1,SWAPEWGAOVWUPC-DITMGKQQSA-N
-rxn:2:80605:70249,CCCC(Nc1cc(CC)ccc1N1CCC(C)CC1)C1CCCCN1C1CCCC1,SBXPAOJXGIXVSF-UHFFFAOYSA-N
-rxn:2:81807:137912,CC(=O)c1cn([C@H]2C[C@H](CSC(C)NCC(F)(F)CN3CCSC(C)(C)C3)C2)nn1,ZHAKOATYAWPDBW-ATBAIXNZSA-N
-rxn:2:81807:91059,CC(=O)c1cn([C@H]2C[C@@H](CSC(C)NCC(F)(F)CN3CCSC(C)(C)C3)C2)nn1,ZHAKOATYAWPDBW-ALOPSCKCSA-N
-rxn:2:81952:145364,CCOCC1CCCN(c2ccccc2NC(CN2CCCCC2)c2ccc3[nH]c(C4CC4)nc3c2)C1,XNQXRFBUQTWASH-UHFFFAOYSA-N
-rxn:2:81952:92129,CCOCC1CCCN(c2ccccc2NC(CCN2CCCCC2)c2ccc3c(c2)CCC3)C1,FSXMMNVZAAFOAN-UHFFFAOYSA-N
-rxn:2:82081:114032,CCC(C)(C)OCC(NC1(c2noc(C(C)C)n2)CCN(C)CC1)c1cccn1C,CYQOHCZDKIDEKM-UHFFFAOYSA-N
-rxn:2:82081:81745,CC(=O)c1cncc(C#CCSC(C)NC2(c3noc(C(C)C)n3)CCN(C)CC2)c1,OQMLDFHKZFPNPN-UHFFFAOYSA-N
-rxn:2:82164:88670,CN(C)C1CCN(CCC(NC(c2cccc(CN3CCCC3)c2)C2CC2)C(C)(C)C)CC1,QIBGDJSEFWUCFZ-UHFFFAOYSA-N
-rxn:2:82219:144150,CC(=O)c1cccc(C2C(CCSC(C)NC3(c4ncn[nH]4)CCC(C)(C)CC3)C2(F)F)c1,DGWNYTGFSMPWBJ-UHFFFAOYSA-N
-rxn:2:82219:152050,CC(NC1(c2ncn[nH]2)CCC(C)(C)CC1)SCCC#Cc1ccc(C(=O)C(C)C)cc1,XVHIFEREHLEDOS-UHFFFAOYSA-N
-rxn:2:82903:144237,CC(=O)c1cncc(C2C(CSC(C)Nc3c(C)c(CC4(C)CC4)nn3C)C2(F)F)c1,ADQMMVSWSHGCHP-UHFFFAOYSA-N
-rxn:2:82932:132685,CC(CCS(=O)(=O)C1CC1)NCC(C)(N(C)C)C12CC3CC(CC(C3)C1)C2,MLZAOQDOGXWMRJ-UHFFFAOYSA-N
-rxn:2:82932:140699,CCCC(CS(=O)(=O)F)NCC(C)(N(C)C)C12CC3CC(CC(C3)C1)C2,RMIDPVAJXICCFZ-UHFFFAOYSA-N
-rxn:2:83988:139138,CC(C)CC(NC1CC2CCC1(CS(=O)(=O)[O-])C2(C)C)C1C2CC3CC(C2)CC1C3,DKSUASAADWRQOR-UHFFFAOYSA-M
-rxn:2:84015:120424,CC1(C)C2CC[C@]1(CS(=O)(=O)[O-])C(NC(c1cccs1)C1CCOCC1)C2,OQODZXSFXDGDGV-ZMXXURFWSA-M
-rxn:2:84015:125212,CC(C)(COC12CC3CC(CC(C3)C1)C2)NC1CC2CC[C@@]1(CS(=O)(=O)[O-])C2(C)C,MRRCBOJRJXHEBN-CHUKWMBDSA-M
-rxn:2:84015:135948,CC(C)CCC1(CNC2CC3CC[C@@]2(CS(=O)(=O)[O-])C3(C)C)CC2CCC1C2,REYBCETZRDNFDR-HZKACIAKSA-M
-rxn:2:84138:82250,CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)F)C(NCCN=S1(=O)CCCC1)C2,FHLFDUMFBRZIFF-SFIRGFGWSA-N
-rxn:2:84373:137807,CC(C)CSC(=N)C(F)(F)c1ccc(C(C)Nc2nc(=O)nc(C3CCCCS3)[nH]2)cn1,CFVNAFSVAIOMBZ-UHFFFAOYSA-N
-rxn:2:84785:144920,CCC(CNC(C)c1c(-c2cccc(OC(C)C)c2)cn[nH]c1=O)CN1CCCC(F)(F)C1,NBWHDPRAPRDXQT-UHFFFAOYSA-N
-rxn:2:84921:151596,CC(CCCCn1c(=O)c2ncn(C)c2n(C)c1=O)NCC(c1ccccc1)N1CCC(F)(F)CC1,MJQBZOFCXOPCAS-UHFFFAOYSA-N
-rxn:2:84921:154391,CC(CCCCn1c(=O)c2nc[nH]c2n(C)c1=O)NCC(c1ccccc1)N1CCC(F)(F)CC1,ZMVJMZKSIUXUSQ-UHFFFAOYSA-N
-rxn:2:84982:159934,CCCn1ccnc(N2CCC(NC(c3ccc(-c4ccnc(N5CCCC5)n4)cc3)C(C)C)CC2)c1=O,DPPCIYDGAPRCBL-UHFFFAOYSA-N
-rxn:2:84982:170893,CCCn1ccnc(N2CCC(NC(C)c3ccc(C)c(-c4ccc(N5CCCCC5)nc4)c3)CC2)c1=O,QEGKTYPABKEOOY-UHFFFAOYSA-N
-rxn:2:85038:147524,CCc1nc2cc(C(CCN3CCCC3)Nc3ccc(N4CCC(F)(F)CC4)c(OC)c3)ccc2[nH]1,KQTSPTJCYKRRAL-UHFFFAOYSA-N
-rxn:2:85038:149130,CCc1nc2cc(C(CCN3CCCCC3)Nc3ccc(N4CCC(F)(F)CC4)c(OC)c3)ccc2[nH]1,GPZLPCSQXGWKJL-UHFFFAOYSA-N
-rxn:2:85038:87087,CCC(Nc1ccc(N2CCC(F)(F)CC2)c(OC)c1)c1cnc(N2CCN(C(C)C)CC2)cc1C,JXEANRPKOPPGJI-UHFFFAOYSA-N
-rxn:2:86277:171582,CCCC(C(Nc1cccc2cc(OCC(C)C)cnc12)c1ccc2c(c1)CCCC2)N1CCCC1,XEQZFXRWQJFNTJ-UHFFFAOYSA-N
-rxn:2:86285:139138,CC(C)CC12CC3CC(C1)C(CC(C)NC1CC4CCC1(CS(=O)(=O)[O-])C4(C)C)C(C3)C2,CJUIRPJNSFDBSI-UHFFFAOYSA-M
-rxn:2:86335:120331,CCCCCC(Nc1cccc(C2(C3CCCN(C)C3)COC2)c1)C1=NCCCC1,MZYOVGSLRRBPJQ-UHFFFAOYSA-N
-rxn:2:86476:120702,CCCCS(=O)(=O)c1n[nH]c(NC2CCC3(CC2)C(C(C)C)C3(F)F)n1,YYKMYRYOQOSURZ-UHFFFAOYSA-N
-rxn:2:86608:145705,CC(C)C(NC1CCN(CC2(F)CCOCC2)CC1)c1ccc(-c2cnc3[nH]c(=O)[nH]c3c2)cc1,FWCZTFLTQXUQSP-UHFFFAOYSA-N
-rxn:2:87093:117066,CC(CN(C)C1C2CC3CC(C2)CC1C3)NC(C)c1ccc(OS(=O)(=O)[O-])cc1,NYXWEUIEQOFDAD-UHFFFAOYSA-M
-rxn:2:87519:74747,C[C@@H]1[C@H](NC2C[C@H]3CC[C@]2(CS(=O)(=O)[O-])C3(C)C)CCN1Cc1ccccc1,XVVAXCINAZOVSN-OBRNHECISA-M
-rxn:2:87949:120331,CCCCCC(NCC1(N2CCCC2CC)Cc2ccccc2C1)C1=NCCCC1,OZHSOVMBHDUROF-UHFFFAOYSA-N
-rxn:2:87949:86614,CCC1CCC1C(NCC1(N2CCCC2CC)Cc2ccccc2C1)c1ccnn1C,YIKRODNQWSMWKM-UHFFFAOYSA-N
-rxn:2:87949:95376,CCC(NCC1(N2CCCC2CC)Cc2ccccc2C1)c1ccc(N2CCCC2)nc1C,CBBOCXSNNOQADY-UHFFFAOYSA-N
-rxn:2:89888:149239,CC(=O)c1ccc(C2C(CSC(C)Nc3ncn(CC4CC4(C)C)n3)C2(F)F)c(C)c1,PZHOATVQAVNABG-UHFFFAOYSA-N
-rxn:2:90619:151596,CC(CCCCn1c(=O)c2ncn(C)c2n(C)c1=O)NC1(Cc2ccccn2)CCC(F)(F)CC1,VMCVJQXBMHQPGO-UHFFFAOYSA-N
-rxn:2:90710:167745,CC1(C)CCC(NC(c2ccc(S(C)(=O)=O)cc2)C23CC(C2)C3)C(S(C)(=O)=O)C1,PUPYTSHRBZOSTP-UHFFFAOYSA-N
-rxn:2:90738:147968,CCCCC(/N=c1\ncc2c([nH]1)CC(C)(C)CC2=O)NC1(COc2ccccn2)CCOC1,GOTVBIXNLNNSCD-UHFFFAOYSA-N
-rxn:2:90806:120275,CC(C)(C)Oc1nccc(CNC(c2ccc(CN3CCSCC3)cc2)C2CC2)c1OC1CC1,SJDCFLYZGHPNDR-UHFFFAOYSA-N
-rxn:2:90902:68075,CCOc1ccc(C(CN2CCCC2)NCc2ccnc(N3CCS(=O)(=O)CC3)c2)cc1,KOINVOKXRBDUHP-UHFFFAOYSA-N
-rxn:2:90907:171582,CCCC(C(NC(C)c1ccc2c(c1)CCC2)c1ccc2c(c1)CCCC2)N1CCCC1,VTPOKAHKSJIROE-UHFFFAOYSA-N
-rxn:2:91059:128271,CC(=O)c1cn([C@H]2C[C@@H](CSC(C)NCCCN3CC(F)(F)C3)C2)nn1,MDDZKPVMVIPKKC-GOOCMWNKSA-N
-rxn:2:91462:169898,Cc1ccc(NC(c2c[nH]c3ccccc23)C2C(C)(C)C2(C)C)cc1OCCN1CCN(C)CC1,OQUFIZIBKYFQRF-UHFFFAOYSA-N
-rxn:2:93074:102793,CC(CC(C)(C)S(=O)(=O)c1cccs1)NCC12CN(C)CC(CN(C3CC3)C1)C2(F)F,DWGDUZOVSKCUOO-UHFFFAOYSA-N
-rxn:2:93150:123221,CCCC(Nc1cccc(OCC2CCCC2)c1)C1CCCN(C2CCCCC2)C1,FEHBSDVTGNHHDP-UHFFFAOYSA-N
-rxn:2:93226:170275,CCCCSC(=N)C(F)(F)c1ccc2c(c1)CCC2Nc1cc(=O)[nH]c(SC2CCCC2)n1,KKMOIKHVMCMEAB-UHFFFAOYSA-N
-rxn:2:93458:132747,CC(C)CCn1nc2c(cc1=O)CC(NC(CCN1CCc3ccccc3C1)C(C)(C)C)CC2,FSIMRFVTLNBWAB-UHFFFAOYSA-N
-rxn:2:95402:142451,CC(=O)c1cncc(C2C(CCSC(C)NCC3CN(C)CC(C)(C)N3c3ccccc3)C2(F)F)c1,CRPYKRWTVIQNPS-UHFFFAOYSA-N
-rxn:2:97050:128657,COc1cccc(C(CN2CCN(C)CC2)Nc2ccc(OCCOC(C)(C)C)nn2)c1,DCVMPSGMLVDRAD-UHFFFAOYSA-N
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-rxn:1:60849:34723,CC1=NOC(=O)C1=Cc1ccc(OCc2cn(CC(=O)N3CCC(C#N)CC3)nn2)c(Br)c1,KWCGSXRZSDZALW-UHFFFAOYSA-N
-rxn:1:60860:11066,O=C(Cc1ccc2cc(Br)ccc2n1)NCc1cn(CC(=O)N2CCOCC3CCCCC32)nn1,NTAKTXGGHAOGOW-UHFFFAOYSA-N
-rxn:1:60892:32926,COC[C@H]1CCCN1C(=O)c1ccc(-c2cn(CC(=O)N3CC(O)C(n4ccnc4)C3)nn2)cc1Cl,HUQJVIKOMVDYPS-PPNDLDFTSA-N
-rxn:1:60896:12974,COC1CN(CCn2cc(-c3cccc(C(=O)OC4CCN(c5ncc(Br)cn5)CC4)c3)nn2)CC1OC,PSVJILSQLRUZCF-UHFFFAOYSA-N
-rxn:1:60896:13450,COC1CN(CCn2cc(-c3ccc(C(=O)OC4CCN(c5ncc(Br)cn5)CC4)cc3)nn2)CC1OC,QVVUDPUVKRRXJT-UHFFFAOYSA-N
-rxn:1:60944:17976,COCC1(C)CCN(C(=O)Cn2cc(COc3ccccc3-n3nc(C4CCC4)cc3I)nn2)CC1,ZFVNAUIWUXIGPZ-UHFFFAOYSA-N
-rxn:1:60945:11604,COCC1(C)CCN(CCn2cc(CSc3nc4cc(C(=O)N5CCN(C)CC5)ccc4[nH]3)nn2)CC1,IJMGULKVNLXTPF-UHFFFAOYSA-N
-rxn:1:60962:31134,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3cn(CCN4CCn5c(Cl)cnc5C4)nn3)cc2)CC1,WORMHHQRJNFIBS-UHFFFAOYSA-N
-rxn:1:61019:17360,COc1ccc(-n2nc(-c3cn(CC(=O)N4CCN(CCF)CC4)nn3)cc2C2CCCC2)cc1OC,YCMSUAGCJXLEPK-UHFFFAOYSA-N
-rxn:1:61025:16614,CCCc1c(I)cnn1-c1ccc(-c2cn(CC(=O)N3CCC(N4CCCC4)CC3)nn2)cc1OC,XVTJFUSBAAFCCM-UHFFFAOYSA-N
-rxn:1:61025:39200,O=C(OCc1cn(CC(=O)N2CCC(N3CCCC3)CC2)nn1)c1cc(Br)c2[nH]c(-c3ccccc3Cl)nc2c1,GDRUWUQFKTXYFW-UHFFFAOYSA-N
-rxn:1:61137:39199,O=C(OCc1cn(C2CN(C(=O)CCC3CCCCC3)C2)nn1)c1cc(Cl)c2[nH]c(-c3ccccc3F)nc2c1,WLTPZENEQHMMTO-UHFFFAOYSA-N
-rxn:1:61137:39200,O=C(OCc1cn(C2CN(C(=O)CCC3CCCCC3)C2)nn1)c1cc(Br)c2[nH]c(-c3ccccc3Cl)nc2c1,INJHGCUCVNQWIM-UHFFFAOYSA-N
-rxn:1:61137:39201,O=C(OCc1cn(C2CN(C(=O)CCC3CCCCC3)C2)nn1)c1cc(Br)c2[nH]c(-c3ccccc3Br)nc2c1,PNJREWHXFJHFRG-UHFFFAOYSA-N
-rxn:1:6119:59769,CCCn1ncc(-c2cn(C3CCCN(S(=O)(=O)Cc4ccccc4F)C3)nn2)c1C1CCCCC1,BUPJHILREMJKBP-UHFFFAOYSA-N
-rxn:1:61298:3792,CC(C)(C)OC(=O)N1CC=C(c2cn(C3CN(CCOc4ccc(F)cc4)C3)nn2)CC1,OLGYSMUSPPXSPO-UHFFFAOYSA-N
-rxn:1:61361:16614,CCCc1c(I)cnn1-c1ccc(-c2cn(C3CN(CC(=O)N4CCCCCC4)C3)nn2)cc1OC,JCXARDMPYCLIPY-UHFFFAOYSA-N
-rxn:1:61362:5418,CC(C)(C)OC(=O)N1CCC(n2cc(Cn3ccc4c3CCN=C4c3ccc4c(c3)OCO4)nn2)CC1,WLSIKVFWTBKXEQ-UHFFFAOYSA-N
-rxn:1:61447:17729,CN(C)CCn1nc(-c2cn(Cc3ccc(C(=O)N4CC(F)(F)C4)o3)nn2)cc1C1CCCCC1,AOSCAKZJUMZLIF-UHFFFAOYSA-N
-rxn:1:61451:31599,CC(C)(C)OC(=O)N1CCc2cc(-c3cn(Cc4ccc(C(=O)N5CCCCCC5)s4)nn3)cnc2C1,BRVFLTSODVTNLS-UHFFFAOYSA-N
-rxn:1:61459:29754,COC(=O)C1CCN(c2cc(Br)ccc2-c2cn(Cc3ccc(C(=O)N4CCN(C)CC4)s3)nn2)CC1,CHIPWDMHRCRSRL-UHFFFAOYSA-N
-rxn:1:61470:16597,COc1ccc(-n2ncc(-c3cn(Cc4ccc(C(=O)N5CCC(F)(F)CC5)s4)nn3)c2C2CCCC2)cc1OC,PONMMONBJSVKFB-UHFFFAOYSA-N
-rxn:1:61470:17360,COc1ccc(-n2nc(-c3cn(Cc4ccc(C(=O)N5CCC(F)(F)CC5)s4)nn3)cc2C2CCCC2)cc1OC,NCFCNOAPNYKEEJ-UHFFFAOYSA-N
-rxn:1:61477:11604,COc1ccc(N2CCN(C(=O)Cn3cc(CSc4nc5cc(C(=O)N6CCN(C)CC6)ccc5[nH]4)nn3)CC2)cc1,POEFCNJHKMHLET-UHFFFAOYSA-N
-rxn:1:61477:25015,CCOc1cc(F)ccc1N1CC(c2cn(CC(=O)N3CCN(c4ccc(OC)cc4)CC3)nn2)CC1=O,NJGUGPSTOFBOCF-UHFFFAOYSA-N
-rxn:1:61502:17729,CN(C)CCn1nc(-c2cn(Cc3ccc(C(=O)N4CC(F)(F)C4)s3)nn2)cc1C1CCCCC1,YUCKYRHHIPBDDJ-UHFFFAOYSA-N
-rxn:1:61538:10361,CN1CCN(c2ccc3[nH]c(C(=O)NCc4cn(CC(=O)N5CCN(c6ccc(F)cc6)CC5)nn4)cc(=O)c3c2)CC1,SJCWVKFLHGWEEX-UHFFFAOYSA-N
-rxn:1:61538:35113,CN1CCC(CC(=O)Nc2ccc(-c3cn(CC(=O)N4CCN(c5ccc(F)cc5)CC4)nn3)nc2)CC1,FSEFGVPSOIHXGT-UHFFFAOYSA-N
-rxn:1:61979:17136,CCCc1cc(Br)nn1-c1ccc(-c2cn(-c3ccc(C(=O)N4CCCC(CN5CCCC5)C4)cc3)nn2)cc1OC,ZMYCHBVRPMHEPP-UHFFFAOYSA-N
-rxn:1:61979:17151,CCCc1cc(Cl)nn1-c1ccc(-c2cn(-c3ccc(C(=O)N4CCCC(CN5CCCC5)C4)cc3)nn2)cc1OC,KWNQAXGDPPNPEC-UHFFFAOYSA-N
-rxn:1:61979:17167,CCCc1cc(I)nn1-c1ccc(-c2cn(-c3ccc(C(=O)N4CCCC(CN5CCCC5)C4)cc3)nn2)cc1OC,NMMXGXLBAAVTTF-UHFFFAOYSA-N
-rxn:1:61979:35679,COc1ncc(C(=O)Nc2ccc(-c3cn(-c4ccc(C(=O)N5CCCC(CN6CCCC6)C5)cc4)nn3)nc2)cc1F,IVRTXPWJEAQGFC-UHFFFAOYSA-N
-rxn:1:62072:33335,CC(C(=O)Nc1ccc(-c2cn([C@H]3CCN(C(=O)OCc4ccccc4)C[C@@H]3F)nn2)nc1)C1CCCCC1,OZLYOJRDQWOYOZ-NPMFMFCHSA-N
-rxn:1:62130:15409,COC(=O)c1cnn(-c2ccc(-c3cn(CC4CN(c5ccc(N6CCOCC6)c(F)c5)C(=O)O4)nn3)cc2OC)c1,PEYKYTXGFOTEEG-UHFFFAOYSA-N
-rxn:1:62132:16887,CCC(C)n1ncc(-c2cn(C3CCN(C(=O)OCc4ccccc4)CC3F)nn2)c1C1CCCC1,TWJSWCIDHPZDFT-UHFFFAOYSA-N
-rxn:1:62271:37812,O=[N+]([O-])c1c(Cl)cccc1-c1cn(-c2nc3c4ncnc3n2C2OC(COP(=O)(OP(=O)(O)O)OCC3OC(N4)C(O)C3O)C(O)C2O)nn1,GWMVKIWVIKDPLZ-UHFFFAOYSA-N
-rxn:1:62271:38350,Cc1ccc(S(=O)(=O)OC(C)c2cn(-c3nc4c5ncnc4n3C3OC(COP(=O)(OP(=O)(O)O)OCC4OC(N5)C(O)C4O)C(O)C3O)nn2)cc1,MDBDGIQMCJOGKP-UHFFFAOYSA-N
-rxn:1:62779:9573,N[C@@H](CO)C(=O)Nc1cccc(-c2cn(CC3CC(=O)N(C(C(=O)O)c4cccc(F)c4F)C3)nn2)c1,FGGLMSGUWNJMPN-SDRKTNGBSA-N
-rxn:1:63082:16614,CCCc1c(I)cnn1-c1ccc(-c2cn(CC3CC(=O)N(c4ccccc4N4CCN(C)CC4)C3)nn2)cc1OC,AGMZNSUCNLRLBH-UHFFFAOYSA-N
-rxn:1:63165:33976,CCN1CCC(C(=O)Nc2ccc(-c3cn(CC4CC(=O)N(c5ncc(Br)nc5C(=O)OC)C4)nn3)nc2)CC1,SXNQRDJWQYVNKT-UHFFFAOYSA-N
-rxn:1:63173:16246,COC(=O)c1cnc(N2CC(Cn3cc(-c4cn(-c5ccc(OC)c(C)c5)nc4C4CCCCC4)nn3)CC2=O)c(Br)c1,BDQTTYPBBOEWGA-UHFFFAOYSA-N
-rxn:1:63181:22124,COC(=O)c1ccnc(N2CC(Cn3cc(-c4cc(C5CCCC5)nn4Cc4cccc(OC)c4F)nn3)CC2=O)c1,VXAWJCGXEUEUAR-UHFFFAOYSA-N
-rxn:1:63181:23405,COC(=O)c1ccnc(N2CC(Cn3cc(-c4ccc(F)cc4OCC4CCCCC4)nn3)CC2=O)c1,SSAGCBIQJZKIGE-UHFFFAOYSA-N
-rxn:1:63181:29754,COC(=O)c1ccnc(N2CC(Cn3cc(-c4ccc(Br)cc4N4CCC(C(=O)OC)CC4)nn3)CC2=O)c1,RPDXBRQMJYPPMS-UHFFFAOYSA-N
-rxn:1:63192:22124,COC(=O)c1cncc(N2CC(Cn3cc(-c4cc(C5CCCC5)nn4Cc4cccc(OC)c4F)nn3)CC2=O)c1,JJMXKSLAHLPXNZ-UHFFFAOYSA-N
-rxn:1:63192:5236,COC(=O)c1cncc(N2CC(Cn3cc(CN4CCC(c5ccc(OC)c(OC)c5)CC4)nn3)CC2=O)c1,BSEKTACTYCWDHC-UHFFFAOYSA-N
-rxn:1:63219:29706,CCN1CCN(C(=O)c2ccc(-c3cn(CC4CC(=O)N(c5cc(Br)cnc5OC)C4)nn3)cc2)CC1,MKXCKBSEGYCBTI-UHFFFAOYSA-N
-rxn:1:63219:33976,CCN1CCC(C(=O)Nc2ccc(-c3cn(CC4CC(=O)N(c5cc(Br)cnc5OC)C4)nn3)nc2)CC1,LGPXNHFUZDVORT-UHFFFAOYSA-N
-rxn:1:63219:35512,CCN1CCCN(C(=O)c2ccc(-c3cn(CC4CC(=O)N(c5cc(Br)cnc5OC)C4)nn3)cc2Cl)CC1,BKXZGCNIOSHYPC-UHFFFAOYSA-N
-rxn:1:63222:8114,COc1c(Cl)cccc1N1CC(Cn2cc(C(=O)N3CCCC(c4nc(N5CCCC5)ncc4-c4cccnc4)C3)nn2)CC1=O,HAOSVUSEDAGTHM-UHFFFAOYSA-N
-rxn:1:63223:8114,COc1c(F)cccc1N1CC(Cn2cc(C(=O)N3CCCC(c4nc(N5CCCC5)ncc4-c4cccnc4)C3)nn2)CC1=O,VTVBCTIXNRGPLV-UHFFFAOYSA-N
-rxn:1:63228:33976,CCN1CCC(C(=O)Nc2ccc(-c3cn(CC4CC(=O)N(c5cc(OC)c(Br)cc5Cl)C4)nn3)nc2)CC1,YTLTUMQRJFHNQL-UHFFFAOYSA-N
-rxn:1:63229:33976,CCN1CCC(C(=O)Nc2ccc(-c3cn(CC4CC(=O)N(c5cc(OC)c(Cl)cc5Cl)C4)nn3)nc2)CC1,FDPMZQPBODFBQI-UHFFFAOYSA-N
-rxn:1:63266:24325,COc1ccc2sc(N3CC(Cn4cc(-c5cccc(OCC(=O)N6CCC(F)(F)CC6)c5)nn4)CC3=O)nc2c1,XBZDWAUNPQYLHP-UHFFFAOYSA-N
-rxn:1:63266:29754,COC(=O)C1CCN(c2cc(Br)ccc2-c2cn(CC3CC(=O)N(c4nc5cc(OC)ccc5s4)C3)nn2)CC1,SMYZGPIRQXOCHP-UHFFFAOYSA-N
-rxn:1:63299:33655,CCN1CCC(C(=O)Nc2cncc(-c3cn(CC4CC(=O)N(Cc5cccc(OC)c5F)C4)nn3)c2)CC1,AYGBGSYWZSJTAK-UHFFFAOYSA-N
-rxn:1:63307:33976,CCN1CCC(C(=O)Nc2ccc(-c3cn(CC4CC(=O)N(c5nc(Cl)ncc5OC)C4)nn3)nc2)CC1,ATHJWIIXEPLEDN-UHFFFAOYSA-N
-rxn:1:63308:35512,CCN1CCCN(C(=O)c2ccc(-c3cn(CC4CC(=O)N(c5ccc(Br)nc5OC)C4)nn3)cc2Cl)CC1,JBDBSXLZNCDNOB-UHFFFAOYSA-N
-rxn:1:63319:6197,CCOC(=O)C1CCCN(c2cc(-c3cn(CC4CC(=O)N(Cc5ccc(F)cc5OC)C4)nn3)ncn2)C1,JQYNVSDEKNVZOI-UHFFFAOYSA-N
-rxn:1:63327:33655,CCN1CCC(C(=O)Nc2cncc(-c3cn(CC4CC(=O)N(c5ncc(Br)cc5OC)C4)nn3)c2)CC1,IBPGLLMEQZBDQC-UHFFFAOYSA-N
-rxn:1:63348:6197,CCOC(=O)C1CCCN(c2cc(-c3cn(CC4CC(=O)N(Cc5c(F)cccc5OC)C4)nn3)ncn2)C1,OXXNFBXBVCDAAJ-UHFFFAOYSA-N
-rxn:1:64020:16614,CCCc1c(I)cnn1-c1ccc(-c2cn(CC3CC(=O)N(CCN4CCCC4)C3)nn2)cc1OC,KDHWCMAPQQOZFP-UHFFFAOYSA-N
-rxn:1:64024:35422,CC(C(=O)Nc1ccc(-c2cn(CC3CC(=O)N(CCN4CCOCC4)C3)nn2)nc1)c1ccc(F)cc1,FVMHBICYMAWGBS-UHFFFAOYSA-N
-rxn:1:64203:7801,CC(C)(C)OC(=O)NC1(c2cn(CC3CC(=O)N(Cc4ccc5cn[nH]c5c4)C3)nn2)CC(F)(F)C1,NANFRQNKAUDCJI-UHFFFAOYSA-N
-rxn:1:64734:17427,COc1cccc(-n2nc(-c3cn(CC4CC(=O)N(c5ccc(N6CCOCC6)cn5)C4)nn3)cc2CC2CCC2)c1C,ICZAKZVMRZPIFH-UHFFFAOYSA-N
-rxn:1:65015:15771,N#Cc1c(N2CC(Cn3cc(-c4cn(-c5ccc(I)cc5)nc4CC4CCCC4)nn3)CC2=O)sc2c1CCCCC2,KLYZSLVTCQISIC-UHFFFAOYSA-N
-rxn:1:65015:16679,N#Cc1c(N2CC(Cn3cc(-c4ccc(-n5ncc(Cl)c5CC5CCC5)cc4)nn3)CC2=O)sc2c1CCCCC2,KYDPYVXDCFANQG-UHFFFAOYSA-N
-rxn:1:65382:34175,CC(=O)N1CCC[C@H]1C(=O)Nc1ccc(-c2cn(CC(=O)N3CCN(c4ccccc4)CC3)nn2)nc1,YXTFNRDBODCALF-DEOSSOPVSA-N
-rxn:1:702:42785,C[C@]12CC[C@H]3[C@@H](CCC4=CCCC[C@@H]43)[C@@H]1CC[C@@]2(O)c1cn(CC#Cc2ccc3ccccc3c2)nn1,FAXNGSJJBQQPJN-YYYHQCTISA-N
-rxn:1:702:56981,C[C@]12CC[C@H]3[C@@H](CCC4=CCCC[C@@H]43)[C@@H]1CC[C@@]2(O)c1cn(-c2cccc(C3CC3C#N)c2)nn1,CLABRKZWEMWIHO-HLYWNDJLSA-N
-rxn:1:762:60482,O=C(O)c1ccc2[nH]c(C(F)(F)c3ccccc3-n3cc(CN4CCC(NCc5n[nH]c6c5CCCCC6)CC4)nn3)nc2c1,LIGMBOUUFDUOCP-UHFFFAOYSA-N
-rxn:1:762:60538,COC(=O)c1ccc2[nH]c(C(F)(F)c3ccccc3-n3cc(CN4CCC(NCc5n[nH]c6c5CCCCC6)CC4)nn3)nc2c1,KQUAQJIUJKWGEX-UHFFFAOYSA-N
-rxn:1:8114:49080,C[Si](C)(C)C#CCCn1cc(C(=O)N2CCCC(c3nc(N4CCCC4)ncc3-c3cccnc3)C2)nn1,IYXSBYWGKAREFY-UHFFFAOYSA-N
-rxn:1:9334:49471,N#Cc1cc2c(nc1SCc1cn(C3CCN(S(=O)(=O)Cc4ccccc4F)CC3)nn1)CCCCC2,MSCLIOALPUKZFN-UHFFFAOYSA-N
-rxn:2:101279:147524,CCc1nc2cc(C(CCN3CCCC3)NC3CCN(c4cc(C)ccc4OC)C(C)C3)ccc2[nH]1,XXEPKOACDKEJCG-UHFFFAOYSA-N
-rxn:2:101353:148822,Cc1cn(CC2CCCCC2)nc1NC(c1ccc(S(C)(=O)=O)cc1)C1CCCCC1,DPQPEVWRFDPMIN-UHFFFAOYSA-N
-rxn:2:101709:126626,COC(NC(c1ccc2c(c1)OCCCO2)C1CCCCC1)c1cc2c(cc1C)OCO2,UAZDBLWDGPUKOC-UHFFFAOYSA-N
-rxn:2:102112:102325,CC(C)C(CNCC1CN(C)C(C)(C)C1)c1ccc(C2CCCCC2)cc1,VQQQGKZINUFFJI-UHFFFAOYSA-N
-rxn:2:102112:110279,CC1CC2(C)CC(NCC3CN(C)C(C)(C)C3)CC(C)(C1)C2,XVSDWHCKXSDBMX-UHFFFAOYSA-N
-rxn:2:103206:129758,CN1C2CCC1CC(CNC1CS(=O)(=O)Oc3ccccc31)(N(C)C1CC1)C2,VMJLOTHCMBDUTG-UHFFFAOYSA-N
-rxn:2:105458:126600,Cc1ccc(C(C)NCc2ccnc(N3CCC(CN(C)C)CC3)c2)c(OS(=O)(=O)F)c1,BTLDPHAVJSCAKR-UHFFFAOYSA-N
-rxn:2:105485:76048,CCC(NCc1ccc(N2CCC(N(C)C)CC2)cc1)c1cnc(N2CCCCCC2)cc1C,XZVKAPGCHRSTBV-UHFFFAOYSA-N
-rxn:2:105612:171107,CCC(NC1CC2(CCN(C)CC2)Oc2ccc(C)cc21)c1ccc(N2CCCc3ccccc32)nc1C,CIKGRHQQOZBCQK-UHFFFAOYSA-N
-rxn:2:105612:70929,Cc1ccc2c(c1)C(NC1c3ccccc3CCCCC1(C)C)CC1(CCN(C)CC1)O2,CAAOKEKTBIRROS-UHFFFAOYSA-N
-rxn:2:105612:89368,CCC(CCc1ccc2c(c1)CCCC2)NC1CC2(CCN(C)CC2)Oc2ccc(C)cc21,BWGNUXWDWLUTFA-UHFFFAOYSA-N
-rxn:2:105612:92468,CCC(NC1CC2(CCN(C)CC2)Oc2ccc(C)cc21)C1CCN(c2ccccc2)C1,YPSGINFBEKJIIY-UHFFFAOYSA-N
-rxn:2:105921:103105,CCCN(C)C1(CNC2CCCC2(C)F)CN2CCC1CC2,QVFAHQSOSPAERG-UHFFFAOYSA-N
-rxn:2:106594:117023,CC(NC1CC2(F)CCC1(C)C2(C)C)C1CC2CCC1C2,QMVRHWSZSPOXFH-UHFFFAOYSA-N
-rxn:2:106768:111836,CC(C)(C)OCC(NC1CCN(c2ccc3c(c2)OCO3)CC1)c1ccc2c(c1)OCO2,OBSMQVYAGQNDDG-UHFFFAOYSA-N
-rxn:2:106768:68909,CC(C)(C)OCC(NC1CCC(c2ccc3c(c2)OCO3)CC1)c1ccc2c(c1)OCO2,VBOJUMWLWWJJGF-UHFFFAOYSA-N
-rxn:2:107385:78304,Cc1ccc(N2CCN(C)CC2CCNC(c2ccccn2)C2CCN(C)CC2)cc1C,IGUJYZDYWSIWAG-UHFFFAOYSA-N
-rxn:2:107906:105429,CCc1nn(C2CCN(C)CC2)c(NC(c2ccccc2)C(F)N2CN(F)C=N2)c1C,YRGFRUMZHGXFNK-UHFFFAOYSA-N
-rxn:2:108249:158253,CCC1COCCN1C(C)c1cccc(NC2CCCCC2Cc2c[nH]c3ccc(OC)cc23)c1,KUROBVVIORYTEY-UHFFFAOYSA-N
-rxn:2:108519:113149,Cc1ccc(C(COC2CCCCCC2)N[C@H](c2ccc(C(C)(C)C)cc2)C2CCC2)cc1,MFDCRKKJHQXEGQ-ZSXSBBPPSA-N
-rxn:2:111017:117066,CC(NCC1CCC(CN(C)C2CC2)O1)c1ccc(OS(=O)(=O)[O-])cc1,BVNYGYBLGAROML-UHFFFAOYSA-M
-rxn:2:111538:162039,CN1CCN2c3ncccc3C(N[C@H]3CC[C@H](OS(C)(=O)=O)CC3)c3ccccc3[C@H]2C1,UVIWXYNGKJUIDQ-NKLOVLPOSA-N
-rxn:2:112234:103186,CCC(C(Nc1ccccc1N1CC2CN(C)CC2C1)c1ccccc1)N1CCOCC1C,VFIRISCGWFGLKI-UHFFFAOYSA-N
-rxn:2:113036:141891,CCOc1ccc(C(NC(c2ccc(C)c(C(C)(C)C)c2)C2CCCCC2)C2CCCCC2)cc1,ACSQGPHFYZDWEW-UHFFFAOYSA-N
-rxn:2:113065:78304,Cc1ccc(OCCC2(NC(c3ccccn3)C3CCN(C)CC3)CCN(C)CC2)cc1,GHFIUIQGMRSDBO-UHFFFAOYSA-N
-rxn:2:113144:132258,Cc1cccc(C(NOC23CC4CC(CC(C4)C2)C3)C(C)S(C)(=O)=O)c1,CJZJADOXWOIPTP-UHFFFAOYSA-N
-rxn:2:113756:137809,COCCC(N[C@@H](c1ccc(C(C)(C)C)cc1)C1CCCC1)C1CCCCC1,XWQLVZRMBHOLSM-WUBHUQEYSA-N
-rxn:2:114513:124940,CCC(NC1CCN(C(C)C)C(c2ccc3c(c2)OCO3)C1)C1CCN(c2ccccc2OC)C1,SBZGNEHUCLZGMF-UHFFFAOYSA-N
-rxn:2:114513:145374,CCC(NC(C)c1ccc2c(OCC3CCC3)nn(C)c2c1)C1CCN(c2ccccc2OC)C1,MHDPQZDFXJZDGE-UHFFFAOYSA-N
-rxn:2:115122:141864,CCCC(NC(c1ccc(OC)c(CC)c1)C1CCCN1C)c1ccc2c(c1)CCCC2,NKSSZLQSWLIAMF-UHFFFAOYSA-N
-rxn:2:115637:101466,CCCC1CCN(c2ccc(NC(C)CC(c3ccccn3)N3CCOCC3)c(OC)n2)CC1,CXWVXZNCNGCNIO-UHFFFAOYSA-N
-rxn:2:115849:114650,CCOCC1CN(c2ncccc2NC(c2ccc(CN3CCOCC3)cc2)C2CCCCC2)CC1C,GNNDEVRAPHVIIW-UHFFFAOYSA-N
-rxn:2:116056:149130,CCc1nc2cc(C(CCN3CCCCC3)Nc3ncccc3CN3CCC(C)(C)CC3)ccc2[nH]1,HLXJVIYMXMIGNT-UHFFFAOYSA-N
-rxn:2:116102:162583,Cc1[nH]c(C2CCC(NC(c3ccc(-c4cnn(S(C)(=O)=O)c4)cc3)C3CC3)CC2)nc1C1CCCC1,OVSAKVNVVAFTTH-UHFFFAOYSA-N
-rxn:2:117066:138501,CC(NCc1cn(C2CCN(C)CC2)nc1C1CCC1)c1ccc(OS(=O)(=O)[O-])cc1,ZAKMGWCIRFNYNR-UHFFFAOYSA-M
-rxn:2:117528:170234,CCCC(C(NCC1CN(C)CC12CCOCC2)c1cccc2ccccc12)N1CCCC1,MYVBASUMHGHCPD-UHFFFAOYSA-N
-rxn:2:117825:83842,CCOCC1CCCN(c2ncccc2NC(C)c2ccc(OCC3CCCN(C)C3)cc2)C1,DSRMSPDQLXMQFT-UHFFFAOYSA-N
-rxn:2:118796:147498,COCC(NC(c1ccc(OC)cc1)C1CC1c1ccc2c(c1)OCO2)C1CCCOC1,SGPQQPYCCUBTDM-UHFFFAOYSA-N
-rxn:2:119490:155147,CCC1CCCN1C1CCCCCC1NC(c1cnc2ccccc2c1)c1c(OC)cccc1OC,RFPQRQIPGWDJEK-UHFFFAOYSA-N
-rxn:2:119754:140418,CCC1C(F)(F)C12CCC(Nc1c(C3CC3)c(C)nn1CCN(C)C)CC2,GEKUJOXRIRHVDI-UHFFFAOYSA-N
-rxn:2:121598:133419,CS(=O)(=O)c1cccc(C(NC(c2n[nH]c(=O)[nH]2)C2C3CC4CC(C3)CC2C4)C2CC2)c1,ICIPUWIBNGGHEU-UHFFFAOYSA-N
-rxn:2:122353:119652,CN1CCC(c2nc(C3CCC(NCCC#Cc4cccc(S(C)(=O)=O)c4)CC3)cs2)C1,PKVFWTLWUMODRT-UHFFFAOYSA-N
-rxn:2:123126:110182,CCC(Nc1cnc(C2CCN(C)CC2)cc1OC(C)C)C1(c2ccccc2)CCN(C)CC1,SETIYCGTCPHUJA-UHFFFAOYSA-N
-rxn:2:123305:161968,CC1CCCN(C2(CNC3COc4cc(-c5ccc6[nH]c(=O)[nH]c6c5)ccc43)CCN(C)CC2)C1,PGQOMIRNOWCXNI-UHFFFAOYSA-N
-rxn:2:125286:165217,CN(C)C(C1CCC1)C1CCC(NC2COc3cccc(-c4cnn(S(C)(=O)=O)c4)c32)CC1,MAGNFDHJGXLICT-UHFFFAOYSA-N
-rxn:2:125620:172201,COCCn1cnc2c(c1=O)CCC(NC(c1cccc(CN3CCCC3)c1)c1cc(C)ccc1C)CC2,KYJIXWUQHOPZCS-UHFFFAOYSA-N
-rxn:2:125690:171579,CCOCC(C)N1CCC(NC2CCC(c3ccc(-c4ccccc4C4CC4)cc3)CC2)CC1,YYMSEQOIJZQNHH-UHFFFAOYSA-N
-rxn:2:126076:148296,CN(C)C(c1cccnc1)C1CCC(NC2CCC(c3ccc(S(C)(=O)=O)cc3)CC2)CC1,WSEBTKBJSBARHQ-UHFFFAOYSA-N
-rxn:2:126600:137512,Cc1ccc(C(C)NC2CCc3nc(N4CCN(C)CC4)ncc3C2)c(OS(=O)(=O)F)c1,XZYKEEFOWBHCSQ-UHFFFAOYSA-N
-rxn:2:126600:138055,Cc1ccc(C(C)Nc2cnc(OCC3CCN(C4CC4)CC3)nc2)c(OS(=O)(=O)F)c1,WJMQWNLHLTUFTO-UHFFFAOYSA-N
-rxn:2:126812:101466,CC(CC(c1ccccn1)N1CCOCC1)Nc1ccc(OCC2CN(C)CCN2C)cn1,RLHCEYHREJFIJA-UHFFFAOYSA-N
-rxn:2:126812:110182,CCC(Nc1ccc(OCC2CN(C)CCN2C)cn1)C1(c2ccccc2)CCN(C)CC1,PJHTWWLMPOBOFX-UHFFFAOYSA-N
-rxn:2:126812:155230,Cc1nc2cc(C(CN3CC(C)CC(C)C3)Nc3ccc(OCC4CN(C)CCN4C)cn3)ccc2[nH]1,FKCLFUKNIAMSMF-UHFFFAOYSA-N
-rxn:2:126812:170234,CCCC(C(Nc1ccc(OCC2CN(C)CCN2C)cn1)c1cccc2ccccc12)N1CCCC1,KAKDPFKTKAWHGK-UHFFFAOYSA-N
-rxn:2:127150:162583,CN(C)CC1CCC(CNC(c2ccc(-c3cnn(S(C)(=O)=O)c3)cc2)C2CC2)CC1,ZIJSMBFNLOFTMH-UHFFFAOYSA-N
-rxn:2:127674:122938,CCC(NC1CCc2cc(N3CCN(C)CC3)ccc21)c1cc2c3c(c1)CCN3CCC2,JOWLRKRIZHFBCJ-UHFFFAOYSA-N
-rxn:2:127674:125062,CCC(CC)C(NC1CCc2cc(N3CCN(C)CC3)ccc21)c1ccc2c(c1)CCCC2,ASQDSSUHMOPCTB-UHFFFAOYSA-N
-rxn:2:127950:103186,CCC(C(Nc1ccccc1OC1(C)CCCN(C)C1)c1ccccc1)N1CCOCC1C,DHLDHRMNKNRBEY-UHFFFAOYSA-N
-rxn:2:128208:122593,CC(COCC1CCCCC1)NC(c1ccc(C(C)(C)C)cc1)C1CC1,WLBBGBJZRUFZKN-UHFFFAOYSA-N
-rxn:2:128411:127968,CCC1(O[Si](C)(C)C(C)(C)C)CCC(NC(c2ccc[nH]2)C2CC2)CC1,YJLYNFZBCUIBHE-UHFFFAOYSA-N
-rxn:2:129951:160730,CCOc1ncccc1-c1cc2c(cc1OC)C(NC1(c3nc(C)cc(C4CCCN(C)C4)n3)CC1)CC2,PZCAFCGGXGXINQ-UHFFFAOYSA-N
-rxn:2:130425:141891,Cc1cccc(C2CCCCC2NC(c2ccc(C)c(C(C)(C)C)c2)C2CCCCC2)c1,MRHKHKMERBVRGZ-UHFFFAOYSA-N
-rxn:2:130460:71152,CCOC1CCN(CC(Nc2ccc(CC3CCC(C)(C)CC3)cc2)c2ccccc2)CC1,DCKOBENZWBVEOR-UHFFFAOYSA-N
-rxn:2:130474:141879,CCCC1CCN(c2cc(CNC(c3ccc(OC)c(CC)c3)C3CCCCC3)ccn2)CC1,AVOJTLCWELKJTH-UHFFFAOYSA-N
-rxn:2:132243:153335,CCS(=O)(=O)c1ccc(C(NCc2ccnc(N3CCC(N(C)C)CC3)c2)C2CCCC2)cc1,VMSBPRWSDBWYBY-UHFFFAOYSA-N
-rxn:2:132456:115373,Cc1ccc2c(c1)C(NC(c1ccccc1CN1CCN(C)CC1)C1CCC1)CC(C)(C)CC2,SWDWNTJADCIKDQ-UHFFFAOYSA-N
-rxn:2:132749:153335,CCS(=O)(=O)c1ccc(C(NCCc2nc(C)cc(C3CCCCC3)n2)C2CCCC2)cc1,MLQFCJSPKFRRNK-UHFFFAOYSA-N
-rxn:2:133266:152545,CCC1COCCN1C1(CNC(c2ccc(-c3cnn(C)c3)cc2)C2CC2)CCN(C)CC1,PMDDLGVHTJTEOE-UHFFFAOYSA-N
-rxn:2:133959:101153,CCC(CC)C(=O)Oc1cccnc1NC(C)CC(C)(C)CC(C)(C)C,CIDIUBHEGOKPEF-UHFFFAOYSA-N
-rxn:2:134212:135617,CCOCC1CCN(c2ccc(NC(c3ccc(CN4CCOCC4)cc3)C3CC3)cn2)C1,ORJPWYYVPYKLGY-UHFFFAOYSA-N
-rxn:2:134302:76393,CCOCC1CCN(c2ncccc2NC(CN2CCCC(C)C2)c2cc(C)ccc2OC)C1,RRTOOENZWXGQJX-UHFFFAOYSA-N
-rxn:2:134489:141864,CCCC(NCC1CCCN(c2ccc(OC)cc2)C1(C)C)c1ccc2c(c1)CCCC2,SWCMNOIOODXBCO-UHFFFAOYSA-N
-rxn:2:134555:121051,CCOCCC(Nc1ccc(C(C)(C)CN2CCCC2)cc1)C1CCCC1,JWCMWIVJINFKHK-UHFFFAOYSA-N
-rxn:2:136368:143818,CC(CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)NC1CCN(c2cc(C3CCCC3)ncn2)CC1,PPIDKYSHWOKWCG-UHFFFAOYSA-N
-rxn:2:137027:149518,CCN(C1CCCCC1)C1(CNC(C)c2ccc(N3CCS(=O)(=O)CC3)cc2)CCSC1,WKCCSODPPXEQAC-UHFFFAOYSA-N
-rxn:2:138045:127674,Cc1cc(C(NC2CCc3cc(N4CCN(C)CC4)ccc32)C2CCCN2C)c(C)[nH]1,VKPZRGYPJJMHPF-UHFFFAOYSA-N
-rxn:2:138781:143099,CCC(NCCC1CN(c2ccccc2OC)CCN1C)c1cnc(N2CCc3ccccc3C2)cc1C,VOLLTZOTKXZEFF-UHFFFAOYSA-N
-rxn:2:138781:169230,CCC(NCCC1CN(c2ccccc2OC)CCN1C)c1cnc(N2CCCc3ccccc32)cc1C,JAFIKILYFBJDKS-UHFFFAOYSA-N
-rxn:2:139310:166107,CC1CN(C2c3ccccc3-c3ncccc32)C(C)CC1NCC1CC(OS(C)(=O)=O)C1,YALHYSKCRBURKW-UHFFFAOYSA-N
-rxn:2:140382:76539,CC(CCCN(C)C1CCCC1)Nc1cccc(C2CCC(C)(C)CC2)c1,RFRWMPYODAWYKY-UHFFFAOYSA-N
-rxn:2:140541:157499,COCC(CNC1c2cc(C)ccc2N=C2C1CCN2c1ccccc1)C1CCCCC1,BJXNGIKEESSEAX-UHFFFAOYSA-N
-rxn:2:142888:150271,CCC(CC)Cc1cc(NC2CC3(CCC(F)(F)CC3)Oc3cc(OC)ccc32)n2ncc(C)c2n1,MSBJDGPKWCROTG-UHFFFAOYSA-N
-rxn:2:142888:163153,CCC(CC)Cc1c(C)nn2c(NC3CC4(CCC(F)(F)CC4)Oc4cc(OC)ccc43)ncnc12,QZCHSLAHNJVPSO-UHFFFAOYSA-N
-rxn:2:147801:109227,CC(CCCC1CCCN(C)C1)NCc1ccc2cc[nH]c2c1N1CCN(C)CC1,VFMAVEIZWJTKDK-UHFFFAOYSA-N
-rxn:2:149564:68160,CCCC(Nc1cccc(C#Cc2ccc(OC)c(C)c2)c1)C1CCN(C2CCCCC2)C1,RODSDZPCEFLNQO-UHFFFAOYSA-N
-rxn:2:149892:104324,CCC(NC(C)(C)CN(C)Cc1ccc2oc(=O)[nH]c2c1)c1ncc(N2C3CCC2COC3)cn1,SHQCWQAOJQRNSK-UHFFFAOYSA-N
-rxn:2:150106:73980,COCCCN1CCC(C)(C)C(NC(c2ccccc2)C(c2ccccc2)N2CCCC2)C1,WWPKALGZYKVDEB-UHFFFAOYSA-N
-rxn:2:153192:70659,Cc1ccc(C(C)(C)C)cc1C(CN1CCCCC1)NC1CCCN(c2nc3ccccc3c(=O)[nH]2)C1,SAFMEBXOPOFQHX-UHFFFAOYSA-N
-rxn:2:161578:141659,CN(c1ccc2[nH]c(=O)[nH]c2c1)C(C)(C)CCNC(c1ccc(CN2CCCC2)cc1)C1CCCC1,CKUKSAHHTQYLLX-UHFFFAOYSA-N
-rxn:2:163127:119523,O=S1(=O)c2ccccc2C(NC(CCCC2CCCCC2)c2ccccn2)CC12CCC2,XIRNMBMNLIWYBW-UHFFFAOYSA-N
-rxn:2:166138:76014,COc1ccc(C2Cc3[nH]ncc3C(NC3CC(CO[Si](C)(C)C(C)(C)C)C3)C2)cc1,PKNFZIFZFPXALZ-UHFFFAOYSA-N
-rxn:2:167618:123221,CCCC(NCc1ccc(C)c(-c2ccccc2OC)c1)C1CCCN(C2CCCCC2)C1,AQSOWOIXHNCLTJ-UHFFFAOYSA-N
-rxn:2:66038:146977,CC(NC1CCC(OS(C)(=O)=O)CC1)c1ccccc1-c1ccnc(N2CCN(C)CC2)c1,XZFARBPFNJADIG-UHFFFAOYSA-N
-rxn:2:66038:151262,CN1CCN2c3ncccc3C(NC3CCC(OS(C)(=O)=O)CC3)c3ccccc3C2C1,UVIWXYNGKJUIDQ-UHFFFAOYSA-N
-rxn:2:66038:155971,CC(NC1CCC(OS(C)(=O)=O)CC1)c1ccnc(-c2ccnc(N3CCN(C)CC3)c2)c1,KQFRHIHDOACKDH-UHFFFAOYSA-N
-rxn:2:66038:157836,CC(NC1CCC(OS(C)(=O)=O)CC1)c1ccc(-c2ccnc(N3CCOCC3)c2)s1,FXEZDRPBSOHDJD-UHFFFAOYSA-N
-rxn:2:66038:165086,CC(NC1CCC(OS(C)(=O)=O)CC1)c1ccnc(-c2ccc(N3CCN(C)CC3)nc2)c1,LVIVZZMZNNCKMC-UHFFFAOYSA-N
-rxn:2:66038:85794,CC1CC1C(NC1CCC(OS(C)(=O)=O)CC1)c1ccc2c(c1)OCCO2,WUTPRUAKLZSGRE-UHFFFAOYSA-N
-rxn:2:66318:145705,CC(C)C(NC1CCN(CC2(F)CCSCC2)CC1)c1ccc(-c2cnc3[nH]c(=O)[nH]c3c2)cc1,XMMPFQCQNZAVOQ-UHFFFAOYSA-N
-rxn:2:66318:160948,CCOc1ncc(-c2cnc3[nH]cc(C(C)NC4CCN(CC5(F)CCSCC5)CC4)c3c2)cc1C,WTTOHRCSTNTTQJ-UHFFFAOYSA-N
-rxn:2:68026:100874,COC1(CNC2CC3CCCC(C2)N3Cc2ccccn2)CS(=O)(=O)C1,LEESQTYNMXZNOB-UHFFFAOYSA-N
-rxn:2:68359:77973,CCC(CC)Cc1ccc(NC2CCC(C3CCC(c4ccc(C)cc4)CC3)CC2)cc1,RFNDXDNXMYSIES-UHFFFAOYSA-N
-rxn:2:68928:141891,Cc1ccc(C(N[C@@H](c2cccs2)C2CCCCC2)C2CCCCC2)cc1C(C)(C)C,LLKXTGWPHGABHB-PLYLYKGUSA-N
-rxn:2:69035:107710,COc1cc(N2CCC(N(C)C)CC2)ccc1NC(c1ccc(C2CC2)cc1)C1(C)CC1,GHDDJCCUDWUDHH-UHFFFAOYSA-N
-rxn:2:69561:170446,CCOC(CNC(Cn1cnc2c(nnn2C)c1=O)c1ccc(OC)cc1)C1CCC(F)(F)CC1,NVQLVFZEZAKIJW-UHFFFAOYSA-N
-rxn:2:69563:127447,CC(NC(c1ccncc1)C1CCN(C)CC1)c1ccccc1OCC1CCCCN1C,PGPNRAZWVLBISW-UHFFFAOYSA-N
-rxn:2:69566:114121,CN(C)C1(CNC2CCN3CCC2(C)C3)CN2CCC1CC2,MEBGFVKUHHUBIK-UHFFFAOYSA-N
-rxn:2:69566:160156,CN(C)C1(CNC2CC3(CCC3)S(=O)(=O)c3ccccc32)CN2CCC1CC2,HHIGPKFYISNTPU-UHFFFAOYSA-N
-rxn:2:69927:66038,CN1CCC2(C1)Oc1ccccc1C2CNC1CCC(OS(C)(=O)=O)CC1,GWCXATGXFRHULU-UHFFFAOYSA-N
-rxn:2:70177:155824,CCC1CCCN1C1(CNC2CCc3ccc(-c4nc5nc[nH]c5c(=O)[nH]4)cc32)CN2CCC1CC2,QUUUIAHCSMKMLC-UHFFFAOYSA-N
-rxn:2:70510:125092,CC(CC(c1ccccn1)N1CCN(C)CC1)NCC1(F)CCN(C)CC1,ZOVGWJDQUHQMQQ-UHFFFAOYSA-N
-rxn:2:70683:138960,COCc1cc(OS(=O)(=O)F)ccc1NC1CCN(C2(c3ccc(OC)cc3)CC2)CC1,BGAMFDMJPUWMMK-UHFFFAOYSA-N
-rxn:2:71728:136737,CCOCC1CCN(c2ccc(NC(c3ccc(C4CCC4)cc3)C3(C)CC3)cc2)CC1,KWRBFYVGTKNWRR-UHFFFAOYSA-N
-rxn:2:72048:84594,CN(C1CCC(NC2CC3CC2CC32CC2)CC1)C(C)(C)C,VOKZJYNGRXUWPB-UHFFFAOYSA-N
-rxn:2:72335:156415,COCC(NC(CC1=NCCO1)c1ccc2cc(OC)ccc2c1)C1CCOCC1,RUIYFRSIMAFTQP-UHFFFAOYSA-N
-rxn:2:72335:159404,COCC(NC(c1ccc(OC)cc1)c1ccc(N2CCOCC2)cc1)C1CCOCC1,BYOKZUDTQMNDLC-UHFFFAOYSA-N
-rxn:2:73013:149741,CCC(CC)Cc1cc(NC2CC3(CCC(F)(F)CC3)Oc3ccc(OC)cc32)n2cncc2n1,LWJZYMSGJUBZFN-UHFFFAOYSA-N
-rxn:2:73437:120015,CCCC(C#CN1CCN(C)CC1)NCC1(F)CN2CCC1CC2,ZNIPAMZGVLYBNB-UHFFFAOYSA-N
-rxn:2:73437:90864,CC1(C)CC(NCC2(F)CN3CCC2CC3)CC2(C)C3CCC2(C)CC31,TZDVQEUDJPWTCW-UHFFFAOYSA-N
-rxn:2:73536:173222,CCC(NC1CN(C)CCC1c1ccc(C)cc1OC)c1ccc2[nH]c(C3CCCCC3)nc2c1,SWCBSWCPPPBEQC-UHFFFAOYSA-N
-rxn:2:73657:149407,COCC1C(F)(F)C12CCC(NC(CC1=NCCO1)c1ccc3[nH]c(=O)[nH]c3c1)CC2,VZGFTRISLYXTNQ-UHFFFAOYSA-N
-rxn:2:73702:159769,CC(NC1CC2(CCN(C)CC2)Oc2ccccc21)c1nc2cccnc2n1C1CCN(C)CC1,SZZOVGYXEVUIPU-UHFFFAOYSA-N
-rxn:2:73766:149741,CCC(CC)Cc1cnn2c(NC3CC4(CCC(F)(F)CC4)Oc4ccc(OC)cc43)ncnc12,DWNCNLYQLXRHPH-UHFFFAOYSA-N
-rxn:2:73773:79545,COCC1CCCCN1c1ccccc1NC(c1ccc2c(c1OC)COCO2)C(C)C,OVQJROGPVVTWJW-UHFFFAOYSA-N
-rxn:2:74624:160422,CN(C)C(c1cccc(NC2CCN(c3ccc(S(C)(=O)=O)cc3)CC2)c1)C1CCCC1,XUGNUNYICFHXLJ-UHFFFAOYSA-N
-rxn:2:74945:169191,CCC(NOCCC1CCCCN1C1CCCCC1)c1ccc(-c2cnc3[nH]ccc3c2)cc1C,MLDMQKMZRKOFIO-UHFFFAOYSA-N
-rxn:2:77718:81627,CCC(C(NC(c1cccc(OC)c1)C1CCCCC1)c1ccc(OC)cc1)N1CCCC1,CDXDOCDASISAOI-UHFFFAOYSA-N
-rxn:2:78078:164321,CCC1CCC(NC(c2ccc(-c3ccc4[nH][nH]c(=O)c4c3)cc2)C(C)C)C(CN(C)C(C)C)C1,XKZZJXXJVUFSOB-UHFFFAOYSA-N
-rxn:2:79545:126715,COCC1CCCCN1c1ccccc1NC(c1ccc(C)cc1)C(C)(C)N1CCOCC1,YQBZAQKYWKUBHG-UHFFFAOYSA-N
-rxn:2:79968:106259,Cc1cccc(C)c1C(NC1CCN(Cc2ccc(C(C)(C)C)cc2)CC1)C1CCCC1,NMIOIOHQZUUIRQ-UHFFFAOYSA-N
-rxn:2:80854:103206,CC(CNC1CS(=O)(=O)Oc2ccccc21)N(C)C1C2CC3CC(C2)CC1C3,MCPYQSVKQOPVQT-UHFFFAOYSA-N
-rxn:2:81023:128208,COCCC(NC(c1ccc(C(C)(C)C)cc1)C1CC1)C1CCCCC1,JGWKVWIWYAEZKB-UHFFFAOYSA-N
-rxn:2:81023:169898,COCCC(NC(c1c[nH]c2ccccc12)C1C(C)(C)C1(C)C)C1CCCCC1,FTSMCIQZNYDEFP-UHFFFAOYSA-N
-rxn:2:81725:145413,CC(NCC1CN(C)CC12CCSCC2)c1cccc(-c2ccc(N3CCN(C)CC3)nc2)n1,CJBPBRNWJXWRFG-UHFFFAOYSA-N
-rxn:2:81735:106168,CCC1CC(C(NC2CC(C(C3CCN(C)C3)N(C)C)C2)c2ccnn2C)C1,NLMMKTXDKQDASH-UHFFFAOYSA-N
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-rxn:2:106816:142505,CC(=O)c1ccc(C2C(CCSC(C)NC3(c4c(C)n[nH]c4C)CCCCCC3)C2(F)F)nc1,CUFJUQPQVKGTFU-UHFFFAOYSA-N
-rxn:2:107310:146567,CC(N[C@@H](c1ccc(O[Si](C)(C)C)cc1)C1CCC1)n1cc(-c2cnn(C3CCC(=O)CC3)c2)cn1,YGIRSUKMUPBNKQ-VLEDXSGQSA-N
-rxn:2:108479:106238,CCC(NCc1nccc(N2CCC(N(C)C)CC2)n1)c1ccc(OCC(C)C)c(C)c1,RSMRCJLPBDUFOB-UHFFFAOYSA-N
-rxn:2:108987:156343,CC(=O)c1ccc(C2C(CCSC(C)NC3(c4ncnn4C)CCOCC3)C2(F)F)cn1,AUNVPUHSOCBLLP-UHFFFAOYSA-N
-rxn:2:110317:139138,CCCC(NC1CC2CCC1(CS(=O)(=O)[O-])C2(C)C)C1(C23CC4CC(CC(C4)C2)C3)CC1,PMMNYPOOBHUXRE-UHFFFAOYSA-M
-rxn:2:110489:155396,CC(=O)c1ccc(C2C(CSC(C)Nc3cncnc3OC3CCCC(N(C)C)C3)C2(F)F)nc1,BGOJZFWQRKGUTF-UHFFFAOYSA-N
-rxn:2:113039:139138,CC1(C)C2CCC1(CS(=O)(=O)[O-])C(NCC(C1CC1)C1C3CC4CC(C3)CC1C4)C2,XIZGTWBRVPNUJI-UHFFFAOYSA-M
-rxn:2:113233:143818,Cc1occc1CN(C)CC1(NC(C)CC(c2ccc3[nH]c(=O)[nH]c3c2)N(C)C)CCCCC1,JYFZGGWHBUEFPK-UHFFFAOYSA-N
-rxn:2:113516:139138,CC1(C)C2CCC1(CS(=O)(=O)[O-])C(NC(COC1CCC1)C13CC4CC(CC(C4)C1)C3)C2,JLACRHVQNOJKPZ-UHFFFAOYSA-M
-rxn:2:113527:133341,CCC(NCc1ccnc(N2CCC(N(C)C)CC2)n1)c1cc(C)ccc1OCC(C)C,IZHYWSZTEOEQFN-UHFFFAOYSA-N
-rxn:2:114498:149695,CCC(CN1CCC(N(C)C)CC1)NC(c1nc2cc(C)ccc2n1C(C)C)C1CC1,VGQQTKQBFBOAMR-UHFFFAOYSA-N
-rxn:2:114498:149840,CCC(CN1CCC(N(C)C)CC1)Nc1cccc(-c2cn(CC3(F)CCC3)nn2)c1,VDEYCTQYOSPECN-UHFFFAOYSA-N
-rxn:2:114498:163481,CCC(CN1CCC(N(C)C)CC1)Nc1ccc(-c2cn(CC3(F)CCC3)nn2)cc1,PATQRYIJLBNMQW-UHFFFAOYSA-N
-rxn:2:114859:154947,CC(C)Cc1nc(C(NC(CN2CCC(N(C)C)CC2)c2c[nH]c3ccccc23)C2CC2)n(C)n1,PUQRVAMLLJGZMS-UHFFFAOYSA-N
-rxn:2:115758:128441,CC(C)(CONC(CCS(=O)(=O)F)C1CC1)C1C2CC3CC(C2)CC1C3,SNRIJGOQMDINJQ-UHFFFAOYSA-N
-rxn:2:116982:168373,CC(NC1CCC(N(C)c2ccc3c(c2)ncn3C)CC1)C(N1CCC(N(C)C)CC1)C(C)(C)C,JWIBUXORZNCVLF-UHFFFAOYSA-N
-rxn:2:118689:172704,CC(C)C(=O)Oc1cccnc1NC(C)c1cncc(C(F)(F)C(=N)SC2CCCC2)c1,IQBDAMJSDIDKIE-UHFFFAOYSA-N
-rxn:2:118770:125295,CC(OCCNC1CC(CS(=O)(=O)F)C1)C12CC3CC(CC(C3)C1)C2,WMWKLLQIYQYKCY-UHFFFAOYSA-N
-rxn:2:118870:135675,CC(=O)c1ccc(C2C(CSC(C)Nc3nccnc3OCC3(C)CCC3)C2(F)F)s1,IHHBILPTHFFKDR-UHFFFAOYSA-N
-rxn:2:119356:126076,CC(NC1CCC(C(c2cccnc2)N(C)C)CC1)c1cnccc1OCC1(C)CCC1,GNANQDLYOASXCN-UHFFFAOYSA-N
-rxn:2:119530:143818,Cc1ccc(CNC(C)CC(c2ccc3[nH]c(=O)[nH]c3c2)N(C)C)c(N2CCC(N(C)C)CC2)n1,ADFZKBKIWVFFFM-UHFFFAOYSA-N
-rxn:2:120197:161441,Cc1c(C(C)NCC2(C(C3CCOCC3)N(C)C)COC2)cc(-c2ccc3[nH]c(=O)[nH]c3c2)n1C,DDEBROKVOQRHMF-UHFFFAOYSA-N
-rxn:2:120312:124477,COCC(ONC1CC(CS(=O)(=O)c2ccc(C)cc2)C1)C1C2CC3CC(C2)CC1C3,ORFLTYRHDFIRCE-UHFFFAOYSA-N
-rxn:2:120638:139138,CC1(C)C2CCC1(CS(=O)(=O)[O-])C(NCCC(C1CC1)C13CC4CC(CC(C4)C1)C3)C2,STIPUDRTQWSFID-UHFFFAOYSA-M
-rxn:2:120702:149169,CC(C)C1C(F)(F)C12CCC(NCC(c1ccc3c(c1)ncn3C1CC1)N(C)C)CC2,FRRWMCJHYBRBAO-UHFFFAOYSA-N
-rxn:2:121276:142451,CC(=O)c1cncc(C2C(CCSC(C)NC3(c4ncnn4C)CCCC3)C2(F)F)c1,DQXKACBBGFWNKH-UHFFFAOYSA-N
-rxn:2:121276:152761,CC(=O)c1cccc(C2C(CCSC(C)NC3(c4ncnn4C)CCCC3)C2(F)F)n1,FVYOFGYALMFXJJ-UHFFFAOYSA-N
-rxn:2:125295:130669,CCC(NC1CC(CS(=O)(=O)F)C1)(C(C)C)C12CC3CC(CC(C3)C1)C2,UJOBNPXUPDDIER-UHFFFAOYSA-N
-rxn:2:126076:138698,CCn1ncc(C(C)NC2CCC(C(c3cccnc3)N(C)C)CC2)c1OCC1CC1,MTFRQCHVDBPOBJ-UHFFFAOYSA-N
-rxn:2:129009:143818,CC(C)Cn1cnnc1CC1CCC(NC(C)CC(c2ccc3[nH]c(=O)[nH]c3c2)N(C)C)CC1,YMHZNHWSDNPYKN-UHFFFAOYSA-N
-rxn:2:133599:150339,CC(NCC1(N(C)C2CCOCC2)CCN(C)CC1)c1cc(-c2ccc3[nH]c(=O)[nH]c3c2)ccn1,BLADWPKWJDJPBR-UHFFFAOYSA-N
-rxn:2:133599:151468,CC(NCC1(N(C)C2CCOCC2)CCN(C)CC1)c1ccccc1-c1cc2[nH]c(=O)[nH]c2cn1,DPSYEMZRRYNADE-UHFFFAOYSA-N
-rxn:2:135675:144237,CC(=O)c1cncc(C2C(CSC(C)Nc3nccnc3OCC3(C)CCC3)C2(F)F)c1,NXAMHNBWJZZRHR-UHFFFAOYSA-N
-rxn:2:138501:143818,CC(CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)NCc1cn(C2CCN(C)CC2)nc1C1CCC1,FXXBACJIJPXFMM-UHFFFAOYSA-N
-rxn:2:139138:136177,CC1(C)C2CCC1(CS(=O)(=O)[O-])C(NC1CC13C1CC4CC(C1)CC3C4)C2,CSOMTIPKAZRVTM-UHFFFAOYSA-M
-rxn:2:141552:171969,CC(C1CC1)C(Nc1cncnc1OC1CCC(N(C)C)CC1)c1ccc(-c2ccc3c(c2)OCO3)cc1,FTQGJYWKRYPYSY-UHFFFAOYSA-N
-rxn:2:149899:171239,CC(C)CSC(=N)C(F)(F)c1ccc2c(c1)C(Nn1cnc3nc(N4CCCC4)ncc3c1=O)CC2,XQDHFWBXWNIMEW-UHFFFAOYSA-N
-rxn:2:68151:132818,O=S(=O)(F)c1ccc(CCNC2CC3CCC(C2)N3C2CCCC2)s1,HYXNFOAKVYADIX-UHFFFAOYSA-N
-rxn:2:68863:144270,CC(=O)c1cccc(C2C(CSC(C)NC3(c4ncnn4C)CCN(C)CC3)C2(F)F)n1,XLFRJAYCDYBKOP-UHFFFAOYSA-N
-rxn:2:68880:100976,CS(=O)(=O)C1(c2cccc(CNC3CC4CCC(C3)N4CC3CC3)c2)CC1,QADPMDOMBJVBBV-UHFFFAOYSA-N
-rxn:2:73779:142919,CC(NCC1(N2CCC(N(C)C)CC2)CCN(C)C1)c1ccc(-c2ccc3oc(=O)[nH]c3c2)cn1,VOCLWPNHVYSGKI-UHFFFAOYSA-N
-rxn:2:73779:151484,CN1CCC(CNC(c2ccc3c(c2)oc(=O)n3C)c2cc[nH]n2)(N2CCC(N(C)C)CC2)C1,CQFOWMDOTPUZBL-UHFFFAOYSA-N
-rxn:2:73779:153509,Cc1c(-c2ccsc2C(C)NCC2(N3CCC(N(C)C)CC3)CCN(C)C2)ccc2c1cnn2C,KKIRASYQYVDDGQ-UHFFFAOYSA-N
-rxn:2:73779:164912,CC(C)C(NCC1(N2CCC(N(C)C)CC2)CCN(C)C1)c1ccc(-c2cc3c(=O)nc[nH]c3s2)cc1,UZMBIFQLEKVANZ-UHFFFAOYSA-N
-rxn:2:74005:85458,CC(C)Cc1cc(C(C)NCCN(C)C2CCC(N(C)C)CC2)n(C)n1,BQHZHGLDUKDARA-UHFFFAOYSA-N
-rxn:2:74072:143818,CC(CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)NCc1cccnc1OC(C)C1CCN(C)CC1,HNFXDUSXLLJFSE-UHFFFAOYSA-N
-rxn:2:74129:114782,CC(CCCCc1ccccn1)NC1CCC(C(C2CCCCC2)N(C)C)CC1,MDGZISXZAMEDIM-UHFFFAOYSA-N
-rxn:2:74153:166525,Cc1ccc2c(C(C)Nc3cccnc3N3CCC(N(C)C)CC3)c(N3CCOCC3)[nH]c2c1C,AWGHHHRHMGZKNK-UHFFFAOYSA-N
-rxn:2:74747:131267,CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)[O-])C(NOCC1(C34CC5CC(CC(C5)C3)C4)CC1)C2,VTJJLCFBEXEMHB-WPOCFNRLSA-M
-rxn:2:74888:149588,CC(NCC(C1CCOC1)N1CCC(N(C)C)CC1)c1ccc(-c2cccc3cc[nH]c(=O)c23)cn1,OPIXMAIOMLDYDQ-UHFFFAOYSA-N
-rxn:2:74888:156484,CC(NCC(C1CCOC1)N1CCC(N(C)C)CC1)c1ccc(-c2ccc3c(c2)[nH]c(=O)n3C)cn1,AJRMOMRQAFMORB-UHFFFAOYSA-N
-rxn:2:74888:160827,CC(NCC(C1CCOC1)N1CCC(N(C)C)CC1)c1ccc(-c2cccc3nc[nH]c(=O)c23)s1,LUSPFNDYUFFQFV-UHFFFAOYSA-N
-rxn:2:74888:163737,CC(NCC(C1CCOC1)N1CCC(N(C)C)CC1)c1ccc(-c2c[nH]c(=O)c3ccccc23)cn1,IICSWBGGRHYDPM-UHFFFAOYSA-N
-rxn:2:75003:152904,CCCC(NC(CN(C)C1CCN(C)CC1)C(C)C)c1ccc(-c2cc3[nH]c(=O)[nH]c3cn2)cc1,AVZZELJWYVMCJM-UHFFFAOYSA-N
-rxn:2:75631:137912,CC(=O)c1cn([C@H]2C[C@H](CSC(C)NCC(F)(F)CN3CCCOCC3)C2)nn1,AHECUILFQGULLN-ATBAIXNZSA-N
-rxn:2:75631:91059,CC(=O)c1cn([C@H]2C[C@@H](CSC(C)NCC(F)(F)CN3CCCOCC3)C2)nn1,AHECUILFQGULLN-ALOPSCKCSA-N
-rxn:2:76127:139616,Cc1cc(C(CSC(C)C)NCCN2CCC(N(C)C)CC2)c(C)[nH]1,CFXFDDNVILSLKS-UHFFFAOYSA-N
-rxn:2:76406:85458,CC(C)C(NCCN(C)C1CCC(N(C)C)CC1)c1nccn1C1CC1,DBXYHYNNVKIOCM-UHFFFAOYSA-N
-rxn:2:76934:89697,CC(C)c1cc(C(C)NCCC(C)N(C)C2CCN(C)CC2)n(C)n1,MXEWJBIXBOZCDO-UHFFFAOYSA-N
-rxn:2:78598:139138,CC(NC1CC2CCC1(CS(=O)(=O)[O-])C2(C)C)C1CC(C2C3CC4CC(C3)CC2C4)C1,QGDFHSMZDKZCRA-UHFFFAOYSA-M
-rxn:2:79107:136425,Cc1cc(N2CCC(N(C)C)CC2)ccc1NC(C)c1sc(N2CCN(C)CC2)nc1C,HTXSTFPOZAYGLP-UHFFFAOYSA-N
-rxn:2:79130:147764,CC(C)COc1cncc(N2CCC(NCC(c3ccc4[nH]c(C5CC5)nc4c3)N(C)C)CC2)c1,YOYCHUBSTIGWFK-UHFFFAOYSA-N
-rxn:2:81549:143480,CC(CCc1csc(C2CCN(C)CC2)n1)NC1(C(c2ccc3oc(=O)[nH]c3c2)N(C)C)CC1,RWWHKWQNLNNSRW-UHFFFAOYSA-N
-rxn:2:83653:149169,CC1C(F)(F)C12CCC(NCC(c1ccc3c(c1)ncn3C1CC1)N(C)C)CC2,BQGXAIWHXCCUPT-UHFFFAOYSA-N
-rxn:2:84015:114419,CC1(C)C2CC[C@]1(CS(=O)(=O)[O-])C(NCCC(C1CCC1)C1C3CC4CC(C3)CC1C4)C2,GKPLCSQQURNVOV-KZVNZRMDSA-M
-rxn:2:84015:85753,CC1(C)C2CC[C@]1(CS(=O)(=O)[O-])C(NCC(CC1C3CC4CC(C3)CC1C4)C1CC1)C2,OVUKVPNNWPNAPF-OWMRBWQFSA-M
-rxn:2:84962:125295,CC(NC1CC(CS(=O)(=O)F)C1)C(C)(C)C12CC3CC(CC(C3)C1)C2,IWRCQWYACGOIRR-UHFFFAOYSA-N
-rxn:2:85115:104146,CCS(=O)(=O)OCC1CCC(NCC(CC2C3CC4CC(C3)CC2C4)OC)C1,XHDIVKLOUQJDBK-UHFFFAOYSA-N
-rxn:2:85183:140271,CCC(Nc1cncc(OCCN(C)C)n1)C1CCCN(CC(C)C)C1,JFTFZDPVUSGRKH-UHFFFAOYSA-N
-rxn:2:85458:138167,Cc1cc(C(NCCN(C)C2CCC(N(C)C)CC2)C(C)C)n(C)n1,HLQPOHVVOGWLLT-UHFFFAOYSA-N
-rxn:2:85828:140699,CCCC(CS(=O)(=O)F)NCC(C)(C1CC1)C1C2CC3CC(C2)CC1C3,CPUHFVLUOLCMDR-UHFFFAOYSA-N
-rxn:2:85828:99502,CC(CNC1CC(CS(=O)(=O)c2ccccc2)C1)(C1CC1)C1C2CC3CC(C2)CC1C3,FFSHXIXDWGQBBU-UHFFFAOYSA-N
-rxn:2:86047:85690,CC(CCc1ncc(C2CCCCC2)[nH]1)N[C@@H](c1ccc(O[Si](C)(C)C)cc1)C1CC1,BMVWIMOLJVBMCN-COTLDPOVSA-N
-rxn:2:86416:167294,CC(NCC1(C(C2CCN(C)CC2)N(C)C)CCC1)c1ccc(-c2cnc3[nH]c(=O)[nH]c3c2)s1,TXFRRPVTPHUVSX-UHFFFAOYSA-N
-rxn:2:86439:120625,CS(=O)(=O)C1(c2ccc(CNC3CC4CCC(C3)N4C3CC3)cc2)CC1,PPKQLWMIBTWZQM-UHFFFAOYSA-N
-rxn:2:87093:157049,CC(CN(C)C1C2CC3CC(C2)CC1C3)NC1CC2(CS(=O)(=O)C2)Oc2ccccc21,WTHVHLGFYWHDCF-UHFFFAOYSA-N
-rxn:2:88564:85753,CC12COC3(S(=O)(=O)[O-])C1CCC2(C)C3NCC(CC1C2CC3CC(C2)CC1C3)C1CC1,UCAKBXKSFNAOQK-UHFFFAOYSA-M
-rxn:2:89449:103141,CC(CN(C)C1CCN(C)CC1)NC(C)c1ccc(C#CC2CC2)s1,KPVDTLQFMQKUAS-UHFFFAOYSA-N
-rxn:2:89751:156343,CC(=O)c1ccc(C2C(CCSC(C)NC3(c4nc(C)nn4C)CCCC3)C2(F)F)cn1,JRAODGVCKBVAMV-UHFFFAOYSA-N
-rxn:2:90506:144237,CC(=O)c1cncc(C2C(CSC(C)Nc3ccnc(CN(C)C4CCN(C)CC4)n3)C2(F)F)c1,XYPSRESEGGVVOK-UHFFFAOYSA-N
-rxn:2:90878:154947,CC1CCc2c1c(CNC(CN1CCC(N(C)C)CC1)c1c[nH]c3ccccc13)nn2C1CC1,JXYFBEWVAJXKAF-UHFFFAOYSA-N
-rxn:2:91059:95596,CC(=O)c1cn([C@H]2C[C@@H](CSC(C)Nc3ccc(OCC4CCC(F)(F)CC4)nc3)C2)nn1,GVTVTOMYFDFMPU-PHOPOUNCSA-N
-rxn:2:91184:161479,CC(CCC1(c2ccc3[nH]c(=O)[nH]c3c2)COC1)NCC(c1ccco1)N1CCC(N(C)C)CC1,HTVNUKYRFXCDLV-UHFFFAOYSA-N
-rxn:2:91460:132818,O=S(=O)(F)c1ccc(CCNC2CC3CCCC(C2)N3C2CCCC2)s1,DUSNZUKMONHARI-UHFFFAOYSA-N
-rxn:2:92170:143818,CC(CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)Nc1cc(CN(C)CC2CCN(C)CC2)on1,QSUCCOCOZZGZOT-UHFFFAOYSA-N
-rxn:2:93686:166525,Cc1ccc2c(C(C)Nc3cnccc3N3CCC(N(C)C)CC3)c(N3CCOCC3)[nH]c2c1C,RTOGEUZJRFTWCF-UHFFFAOYSA-N
-rxn:2:94640:125295,CC(COCC12CC3CC(CC(C3)C1)C2)NC1CC(CS(=O)(=O)F)C1,VQXCPBIZIAPQSW-UHFFFAOYSA-N
-rxn:2:95311:138167,Cc1cc(C(NC2CCC(N(C)CCN(C)C)CC2)C(C)C)n(C)n1,SZFJYJJWBMWVJC-UHFFFAOYSA-N
-rxn:2:95596:137912,CC(=O)c1cn([C@H]2C[C@H](CSC(C)Nc3ccc(OCC4CCC(F)(F)CC4)nc3)C2)nn1,GVTVTOMYFDFMPU-WTXWRMNVSA-N
-rxn:2:96500:164411,CC(NC1CC(C(c2ccc3[nH]cnc3c2)N(C)C)C1)c1cnccc1OCCC1CCCCC1,QFEGBUFVTAYLOL-UHFFFAOYSA-N
-rxn:2:97794:152541,CC(CC(C)(C)n1[se]c2cccnc2c1=O)NCC1(C(C2CCN(C)CC2)N(C)C)CC1,AFWCLYWVHPZREI-UHFFFAOYSA-N
-rxn:2:97794:152904,CCCC(NCC1(C(C2CCN(C)CC2)N(C)C)CC1)c1ccc(-c2cc3[nH]c(=O)[nH]c3cn2)cc1,SWZQYANBPMPYAR-UHFFFAOYSA-N
-rxn:2:97794:163163,CCc1[nH]c(=O)[nH]c1C(NCC1(C(C2CCN(C)CC2)N(C)C)CC1)c1ccc(-n2ccnc2)cc1,AATDAFSDTBAXFE-UHFFFAOYSA-N
-rxn:2:98440:172704,CC(C)Sc1nc(NC(C)c2cncc(C(F)(F)C(=N)SC3CCCC3)c2)c(N=O)c(=O)[nH]1,ISBVVILPFJZZNR-UHFFFAOYSA-N
-rxn:2:98574:168561,Cc1ccsc1C(N(C)C)C1(CNC(C#CN2CCCCC2)c2ccc3[nH]c(=O)[nH]c3c2)COC1,VMFWAVXYQMZYEL-UHFFFAOYSA-N
-rxn:2:99032:144237,CC(=O)c1cncc(C2C(CSC(C)NCC3(Cc4nnc(C)n4C)CCCC3)C2(F)F)c1,BHDBHLKVOFRWMG-UHFFFAOYSA-N
-rxn:2:99502:104146,COC(CNC1CC(CS(=O)(=O)c2ccccc2)C1)CC1C2CC3CC(C2)CC1C3,FAUKQNRLAWGRRV-UHFFFAOYSA-N
-rxn:2:99502:120312,COCC(ONC1CC(CS(=O)(=O)c2ccccc2)C1)C1C2CC3CC(C2)CC1C3,MLZAIIXOTVGKGU-UHFFFAOYSA-N
-rxn:1:11168:62052,N=c1c2nc(-n3cc(CN(C4CCCCC4)S(=O)(=O)c4cccs4)nn3)n3c2ncn1C1OC(COP(=O)(O)OP(=O)(O)OCC2OC3C(O)C2O)C(O)C1O,GOCRXXXRSIFFPV-UHFFFAOYSA-N
-rxn:1:11175:60972,O=C(C=C1CCSCC1)Nc1cccc(-c2cn(CC(=O)N3CC(CO)C(C(F)(F)F)C3)nn2)c1,CRDMFFBBDADQIM-UHFFFAOYSA-N
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-rxn:1:13035:49279,CC1(C)C2CC=C(COC(=O)c3ccc(-c4cn(CCC(O)C(O)c5c[nH]c6nccc(Cl)c56)nn4)cc3)C1C2,QNIJBQZXEYUKKS-UHFFFAOYSA-N
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-rxn:1:62271:34057,CS(=O)(=O)N(Cc1ccccc1)Cc1cn(-c2nc3c4ncnc3n2C2OC(COP(=O)(OP(=O)(O)O)OCC3OC(N4)C(O)C3O)C(O)C2O)nn1,LOZALLDSSWHDQJ-UHFFFAOYSA-N
-rxn:1:62271:37907,CS(=N)(=O)c1ccc(-c2cn(-c3nc4c5ncnc4n3C3OC(COP(=O)(OP(=O)(O)O)OCC4OC(N5)C(O)C4O)C(O)C3O)nn2)cc1,NPVAJXBPKUUFDV-UHFFFAOYSA-N
-rxn:1:62461:3748,CC1(C#N)CCCN(CCc2cn(CC34CNCC(F)(C3)C4)nn2)C1,YYWFGZOTJQEPKF-UHFFFAOYSA-N
-rxn:1:64621:29067,CC1(C)OB(C(F)=Cc2ccc(-c3cn(CC4CC(=O)N(c5ccc6[nH]c(=O)[nH]c6c5)C4)nn3)cn2)OC1(C)C,KNRGCDKEIYGXEU-UHFFFAOYSA-N
-rxn:1:65015:15726,N#Cc1c(N2CC(Cn3cc(-c4cn(-c5ccc(F)cc5F)nc4C4CCC4)nn3)CC2=O)sc2c1CCCCC2,HPCOZMOCEGQYBC-UHFFFAOYSA-N
-rxn:1:65413:28745,O=C1CC(Cn2cc(COc3ccc(C4C(CO)C4(F)F)cc3)nn2)CN1c1n[nH]c(C2CCCCC2)n1,STJCKUSWUDBAPZ-UHFFFAOYSA-N
-rxn:1:702:62564,C[C@]12CC[C@H]3[C@@H](CCC4=CCCC[C@@H]43)[C@@H]1CC[C@@]2(O)c1cn(-c2ccc(C#CC#N)cc2)nn1,GZBQAKWWLGWJIY-TZYRBOAVSA-N
-rxn:1:70:62052,N=c1c2nc(-n3cc(COC(=O)CBr)nn3)n3c2ncn1C1OC(COP(=O)(O)OP(=O)(O)OCC2OC3C(O)C2O)C(O)C1O,KPNWVBLRYSYIEQ-UHFFFAOYSA-N
-rxn:1:733:62052,N=c1c2nc(-n3cc(C[C@@H](O)CCl)nn3)n3c2ncn1C1OC(COP(=O)(O)OP(=O)(O)OCC2OC3C(O)C2O)C(O)C1O,YSAKRTHJEQCHIH-ICNVLSNOSA-N
-rxn:1:7577:59616,CC1(C)OB(C(F)=C(Cn2cc(CNC(=O)[C@@H]3CSC(=O)N3)nn2)c2cccs2)OC1(C)C,RFADMSHWRZJGNA-AWEZNQCLSA-N
-rxn:2:100011:163512,CCS(=O)(=O)c1ccc(-c2ncccc2C(C)NCC2CCN(CCC3CCCCC3)CC2)cc1,UWZLMZOZFOPKJH-UHFFFAOYSA-N
-rxn:2:100096:169455,CCc1ccc(OC)c(-c2cc(C(C)NCC3CCN(C)C(c4nonc4OC)C3)c(C(C)C)o2)c1,ZQJUSBJJTADJJR-UHFFFAOYSA-N
-rxn:2:100423:137899,CCC(NCC(C)(CC)N1CCC2(CCCCC2)CC1)c1ccc2cnccc2c1,VFASXRIJPJUKET-UHFFFAOYSA-N
-rxn:2:100423:160216,CCC(NCC(C)(CC)N1CCC2(CCCCC2)CC1)c1ccc(-c2ccc3nonc3c2)cc1,BMOWLCNEHODYRU-UHFFFAOYSA-N
-rxn:2:101225:138478,CCCN(C)CC1(NC2CCC3(CCc4ccccc43)CC2)CCCCC1,MBJKIBLKHNDEIR-UHFFFAOYSA-N
-rxn:2:101713:132033,CCC(C)(CNC1c2ccccc2CC12CCCCC2)CC1CCCC1,JUDLIARPHSXKRQ-UHFFFAOYSA-N
-rxn:2:101957:142218,CCC(C)CN(C)CC1CC(C)CCC1Nc1nnc(C2(F)CC2)s1,GISZDOWNUJQVSP-UHFFFAOYSA-N
-rxn:2:102226:170059,CCC(NOCCC1CCN(C2CCCCCC2)CC1)c1ccc(-c2cccc3ncoc23)cc1C,DJOONTJARKJDTL-UHFFFAOYSA-N
-rxn:2:103022:124978,CN(CC1CCCCCC1NC1CC2CC1C2)CC(C)(C)C,ZRQQDBQMOGNQKJ-UHFFFAOYSA-N
-rxn:2:103295:123131,CN(C)C1(C)CCC(NC2[C@H]3C[C@@H]4C[C@@H](C[C@H]2C4)C3)CC1,XQBOPMUIDWAVQT-DSTJLGBYSA-N
-rxn:2:103652:126967,CCCCC1CCC(c2ccc(C(C)Nc3cnc(OCC4CCCO4)nc3)cc2)CC1,IKKKPTWKDFZBBK-UHFFFAOYSA-N
-rxn:2:104114:126170,CCCC(C(Nc1cccc(OCC2CCCO2)n1)c1ccc2c(c1)CCC2)N1CCCC1,OLKXXZARLQTDMH-UHFFFAOYSA-N
-rxn:2:104321:116804,CCC[C@H]1CC[C@H](C2CCC(Nc3ccc(COC4CCCCC4)cc3)CC2)CC1,CXKBDHKRZTZFMV-KLQVTAHPSA-N
-rxn:2:105245:160422,COc1ccnc(C2(CNC3CCN(c4ccc(S(C)(=O)=O)cc4)CC3)CCOCC2)c1,ZVXAKBCZDPXDDP-UHFFFAOYSA-N
-rxn:2:105921:160156,CCCN(C)C1(CNC2CC3(CCC3)S(=O)(=O)c3ccccc32)CN2CCC1CC2,UQMALAZYJVCYIV-UHFFFAOYSA-N
-rxn:2:106953:170183,Cc1ccc(C(NC(C2CCCCC2)C2CCCCC2)c2ccc(C(C)(C)C)cc2)cc1,SZLMDZGMNGBTMY-UHFFFAOYSA-N
-rxn:2:107293:122629,CCCC1CCN(c2c[nH]nc2NC(C)c2ccc(OC)c(CN3CCOCC3)c2)CC1,URGVSCYWVYNMQS-UHFFFAOYSA-N
-rxn:2:107293:148214,CCCC1CCN(c2c[nH]nc2NC2CCc3cc(-c4c(C)nn(CCOC)c4C)ccc3C2)CC1,QURZODJVUUVYON-UHFFFAOYSA-N
-rxn:2:107293:149145,CCCC1CCN(c2c[nH]nc2NC(CCN2CCCCC2)c2ccc(OC)c3ccccc23)CC1,GURANOBCIJVWCK-UHFFFAOYSA-N
-rxn:2:107293:162687,CCCC1CCN(c2c[nH]nc2NC(CN2CCC(C)CC2)c2c(OC)ccc3ccccc23)CC1,BFFDMINSXWBQPJ-UHFFFAOYSA-N
-rxn:2:107293:170784,CCCOc1ccc2ccccc2c1C(Nc1n[nH]cc1N1CCC(CCC)CC1)C1CCCCC1,LVXXYQCOJXNCHJ-UHFFFAOYSA-N
-rxn:2:108341:168382,CCCCC[C@H]1CC[C@H](C2CCC(Nc3cc(C(F)(F)c4nnn[nH]4)ccc3OC)CC2)CC1,BWCCTSRJMWZJKP-JCIQBNCYSA-N
-rxn:2:108433:155396,CC(=O)c1ccc(C2C(CSC(C)Nc3cc(C4CC4)nn3C(C)C3CCCOC3)C2(F)F)nc1,YWVHNIGLGZKHLD-UHFFFAOYSA-N
-rxn:2:108469:150606,COCC1(C)CCN(c2ncccc2NC(CCN2CCCCC2)c2ccc3[nH]c(C)nc3c2)CC1,YKVAIEMAGYDXAB-UHFFFAOYSA-N
-rxn:2:109250:170756,CCC(NOCCC1CCCCN1C1CCCCCC1)c1ccc(-c2ccc3cn[nH]c3c2)cc1C,TXUZBXNQAZSGFY-UHFFFAOYSA-N
-rxn:2:109579:113149,CCCCC1CCC(c2cc(NC(COC3CCCCCC3)c3ccc(C)cc3)[nH]n2)CC1,JXZRGJKRKLDJNC-UHFFFAOYSA-N
-rxn:2:109800:115116,CCC(C(NCC1(CCOC)CCOC1)c1ccccc1)N1CCCOCC1,GUZNVDDZKRLFPJ-UHFFFAOYSA-N
-rxn:2:110543:128645,CCC(NC1C2CC(OCc3ccccc3)CC21)C1CCN(C2CCC2)C1,YWBPALGIAUWYGI-UHFFFAOYSA-N
-rxn:2:110586:138984,CN(C1CCC1)C1CCC(NC2CC3CC[C@@]2(C)C3(C)C)CC1,WYPNRGABPHWELE-ROAHEKALSA-N
-rxn:2:110997:95819,CCCC(NC(c1ccccc1C)C1CCCCCC1)C1CCCCC1,YITDMRRIAHMFMG-UHFFFAOYSA-N
-rxn:2:111645:108415,CCN1CCN(c2ccc(NC(c3ccc4c(c3)OCCO4)C3CCCOC3)cc2OC)CC1,WLLKTUDIZYAIRY-UHFFFAOYSA-N
-rxn:2:112204:123904,CN(C)C1(CNC2CC3CCC(C2)N3CC2(C)CCC2)CC1,DMYWMVIMVUGGGD-UHFFFAOYSA-N
-rxn:2:112213:153087,CCc1c(C)[nH]c2c1C(Nc1n[nH]c3cc(OCC(C)C)ccc13)C(CN1CCOCC1)CC2,WHOIOUUMWPJXAL-UHFFFAOYSA-N
-rxn:2:112453:110753,CCC(NC1CCCCC1c1cc(OC)ccc1OC)C1CCN(c2ccc3c(c2)OCO3)C1,SWCISWUAIKRQGP-UHFFFAOYSA-N
-rxn:2:112693:130181,Cc1cccc(C(COCC2CCCCC2)NCC2CC(C)(C)CC(C)(C)C2)c1,XWJDUIBMIZLEEC-UHFFFAOYSA-N
-rxn:2:112693:96208,CC1(C)CC(CNC(CC2CC2)C2CC2)CC(C)(C)C1,CBGGOSOGKQEESN-UHFFFAOYSA-N
-rxn:2:112699:120644,CCCCN1CCCC(c2ccc(NC(CC)C3CCCCCC3)cc2)C1,BDCNHMMHTJHCER-UHFFFAOYSA-N
-rxn:2:113115:127012,CCCCC1CCC(c2cc(NC(COC3CCCCC3)c3ccccc3)ncn2)CC1,WZZRHOGJYXUWFI-UHFFFAOYSA-N
-rxn:2:113160:123810,CCC(Nc1cccc(N2CCN(CC)CC2)c1OC)c1cnc(N2CCOCC2)c(C)c1,IBBBZFLWKWNNSK-UHFFFAOYSA-N
-rxn:2:113267:123809,CCCCCN(C)C1CCCCCC1N[C@@H](c1ccc2cc[nH]c2c1)C1CCCCC1,XCPYEQUMPJWEJF-RYBCQHPNSA-N
-rxn:2:114262:111590,COCS(=O)(=O)c1ccc(C(C)NCC2(N3CCOCC3)CN3CCC2CC3)cc1,BDIOYUPKNNCAFH-UHFFFAOYSA-N
-rxn:2:114368:91796,CCC(Nc1c(OC)cnn1C(C)C1CCOCC1)c1ccc(N2CCOCC2)cc1,JMGGMGOCHIZNDT-UHFFFAOYSA-N
-rxn:2:114794:123221,CCCC(Nc1ccc(C(C)N(CC)C2CCCC2)cc1)C1CCCN(C2CCCCC2)C1,MVMVKKGVKMOVLK-UHFFFAOYSA-N
-rxn:2:114794:71174,CCCC(Nc1ccc(C(C)N(CC)C2CCCC2)cc1)C1CCCCC1,FJBOZITZWKGGMQ-UHFFFAOYSA-N
-rxn:2:114951:169446,CCCC(NCCCN1CCCC2(CC(OC)CCO2)C1)c1ccc(-c2c[nH]c3cccnc23)cc1,SQAXXCFHLWFOCQ-UHFFFAOYSA-N
-rxn:2:115777:125383,CN1CCC(N(C)c2ccnc(CCNC3CC4(CCC(F)(F)CC4)Oc4ccccc43)n2)CC1,RLNGGRDRYUNGBO-UHFFFAOYSA-N
-rxn:2:115937:114108,CCN1CCC2(CCC(CCNC3CCC(C)(Cc4ccccc4)CC3)CC2)CC1,BPUQPHWULKCPLK-UHFFFAOYSA-N
-rxn:2:116555:147524,CCc1nc2cc(C(CCN3CCCC3)NCC3(c4ccc(OC)cn4)CCOCC3)ccc2[nH]1,FEZHDXYAQRRRIZ-UHFFFAOYSA-N
-rxn:2:117066:117719,CC(Nn1c(CC2C3CC4CC(C3)CC2C4)n[nH]c1=O)c1ccc(OS(=O)(=O)[O-])cc1,AMUGYPIALSCJLH-UHFFFAOYSA-M
-rxn:2:117824:105145,CCC(NCc1cc(C2CCOCC2)ncc1OC)c1ccc(N2CCC3(CC2)CC3)cc1,ROAWDBZMOPJBHQ-UHFFFAOYSA-N
-rxn:2:119511:147241,CC(Nc1nccc(N(C)[C@@H]2COC[C@H]2F)n1)c1ccc(OC2CS(=O)(=O)CC2N(C)C)cc1,ZQERNBAUPQNDLX-OOEVCRJNSA-N
-rxn:2:120417:123221,CCCC(Nc1ccc(CN(C)C2CCC2)cc1)C1CCCN(C2CCCCC2)C1,LAQFZCWYHOOIPC-UHFFFAOYSA-N
-rxn:2:120599:96500,CC(NCCC1CCC(C)(C)c2ccccc21)c1cnccc1OCCC1CCCCC1,KFHBOCRLQDHIOI-UHFFFAOYSA-N
-rxn:2:121769:103186,CCC(C(Nc1c(OC)cnn1C1CCOCC1)c1ccccc1)N1CCOCC1C,ARZKHUZDBQVQHV-UHFFFAOYSA-N
-rxn:2:122039:141891,CCN(CCNC(c1ccc(C)c(C(C)(C)C)c1)C1CCCCC1)C1CCCCCC1,ZDJVPKFSQRSUMP-UHFFFAOYSA-N
-rxn:2:122039:71174,CCCC(NCCN(CC)C1CCCCCC1)C1CCCCC1,PSDDPPZWDXFLNN-UHFFFAOYSA-N
-rxn:2:122553:135939,O=S(=O)(F)c1ccccc1C#CCCNC1CCC(Cc2nc(C3CCCC3)cs2)CC1,PHVJMWDMLUAMDQ-UHFFFAOYSA-N
-rxn:2:123145:147968,CCCCC(/N=c1\ncc2c([nH]1)CC(C)(C)CC2=O)NCCCn1c(C)nnc1C1CC(F)(F)C1,WARRZWGESXHVQH-UHFFFAOYSA-N
-rxn:2:123196:120702,CC(C)C1C(F)(F)C12CCC(Nc1n[nH]cc1N1CCC(CN(C)C)CC1)CC2,AIZUHTZRJQWWTB-UHFFFAOYSA-N
-rxn:2:123413:122553,O=S(=O)(F)c1ccc(C#CCCNC2CCC(Cc3nc(C4CCCC4)cs3)CC2)cc1,JQOUNFNXAAUVFV-UHFFFAOYSA-N
-rxn:2:123413:132479,O=S(=O)(F)c1ccc(C#CCCNC2CC3CCC(C2)N3C2CCCCC2)cc1,WQGILCAKZFRXOF-UHFFFAOYSA-N
-rxn:2:125620:173058,COCCn1cnc2c(c1=O)CCC(NC(c1ccccc1)c1cnc(N3CCCCCC3)c(C)c1)CC2,CXMVNNUBJJOQIG-UHFFFAOYSA-N
-rxn:2:125620:77943,COCCn1cnc2c(c1=O)CCC(NC(C)CCCN1CCN(c3ccccn3)CC1)CC2,BWTURARBQRHDIA-UHFFFAOYSA-N
-rxn:2:125859:148870,CCN1CCN(CC(NCc2cc(C3CCCO3)ncc2OC)c2c(C)[nH]c3ccccc23)CC1,ZUVRENXEDHQIRX-UHFFFAOYSA-N
-rxn:2:126170:126967,CCCC(C(Nc1cnc(OCC2CCCO2)nc1)c1ccc2c(c1)CCC2)N1CCCC1,KAWCDURJWWDYGO-UHFFFAOYSA-N
-rxn:2:126327:120099,CCC(CSc1nc2ccccc2[nH]1)NCC1(N2CCOCC2CC)CCN(C)C1,ITUODORSDQLCTR-UHFFFAOYSA-N
-rxn:2:126327:170731,CCCC(NCC1(N2CCOCC2CC)CCN(C)C1)c1ccc(-c2nccc3cc[nH]c23)cc1,HSUOAVANCWFNTD-UHFFFAOYSA-N
-rxn:2:126327:171917,CCCC(NCC1(N2CCOCC2CC)CCN(C)C1)c1ccc(-c2nc3ccccc3[nH]2)cc1,IJVPPRSEFWIWQD-UHFFFAOYSA-N
-rxn:2:127430:136302,CCCC(NC1c2ccccc2CCC1N(C)C1CC1)C1CC2(CCC2)C1,IUIGGHZOHAEBQT-UHFFFAOYSA-N
-rxn:2:130474:121789,CCCC1CCN(c2cc(CNC(CN3CCC(C)CC3)c3ccc(OC)cc3)ccn2)CC1,OIJSXJYGMBRUNN-UHFFFAOYSA-N
-rxn:2:130544:77943,CC(CCCN1CCN(c2ccccn2)CC1)NC1CN(C)CC12CC2,SVKJSUVDUCIGQH-UHFFFAOYSA-N
-rxn:2:130655:73715,CCC(NC(CC1CCOCC1)c1ccccc1OC)c1cnc(N2CCCCCC2)cc1C,RLVYBGMRKFXBKO-UHFFFAOYSA-N
-rxn:2:130939:171318,COCCN1CCC(F)(CNC(CSc2nnnn2C)c2ccc3c(c2)OCCO3)CC1,KULYDFLBIBWCAN-UHFFFAOYSA-N
-rxn:2:131357:97172,CCCC(Nc1ccc(C2CCN(C)CC2)nc1OC(C)C)C1CCCN(c2cnccn2)C1,LWHYMVQXOUOXEI-UHFFFAOYSA-N
-rxn:2:131805:169347,COC1C(NC2CCCc3cc(-c4cccnc4OC(C)(C)C)ccc32)C12CCOCC2,PHDRCZVXTVREDS-UHFFFAOYSA-N
-rxn:2:132033:142242,CCCC(C)(CNC1c2ccccc2CC12CCCCC2)C1CCCC1,ZERFNJJJXJBUGV-UHFFFAOYSA-N
-rxn:2:134241:83584,CCCC1CCN(c2[nH]c(C)nc2NC(C)c2cnccc2OCCN2CCCCC2)CC1,MISHTLXDAGYTTN-UHFFFAOYSA-N
-rxn:2:134425:148597,CCN1CCC(N(C)C2(CNC(c3ccc4ccccc4n3)C3CCCC3)CCCC2)CC1,OJAWISMKTIQKJA-UHFFFAOYSA-N
-rxn:2:134425:158640,CCN1CCC(N(C)C2(CNC3CC(c4cc5cccnc5n4C)C3)CCCC2)CC1,SPDXPTVQAAFILX-UHFFFAOYSA-N
-rxn:2:135299:170756,CCC(NCC1CN(CC2CC2)CC12CCCCC2)c1ccc(-c2ccc3cn[nH]c3c2)cc1C,BUQBIECFNGMADS-UHFFFAOYSA-N
-rxn:2:135385:120190,COc1cccc(C(Nc2c(C(C)(C)C)c(C)nn2C2CCCCC2)C2CCCC2)c1,ACNMRSQMXBCBKG-UHFFFAOYSA-N
-rxn:2:135474:99191,CCCC(C)CN1CCc2ccc(NC(CC)C3CCN(C4CCCCC4)C3)cc21,HIXXWJLTJCSQLU-UHFFFAOYSA-N
-rxn:2:136038:151700,CCOC1CCN(c2nc(C)ccc2CNC(C)c2ccc(OC)c(-c3cnc4n3CCCC4)c2)CC1,CWWTZYCQERZLAU-UHFFFAOYSA-N
-rxn:2:136176:90505,CCn1ncc(C(CN2CCOCC2)Nc2ccc(C)nc2N2CCC(C)CC2)c1C,MOTMQRUNDBAXBA-UHFFFAOYSA-N
-rxn:2:136268:149145,CCCN1CCC(NC(CCN2CCCCC2)c2ccc(OC)c3ccccc23)(c2ncon2)CC1,JSPIAIWRQZESCY-UHFFFAOYSA-N
-rxn:2:136270:80485,CCCC(NCC(C1CCCC1)N(C)C1CCCCC1)C1CC1(C)C,OUJGRUGETPNGNE-UHFFFAOYSA-N
-rxn:2:136378:148426,Cc1c(CNC2CCN(CCOS(C)(=O)=O)CC2)nnn1-c1ccc2c(c1)OCCO2,SFMNWRPIQLLZPJ-UHFFFAOYSA-N
-rxn:2:137691:173222,CCC(Nc1ccccc1CCOC1CCCCC1C)c1ccc2[nH]c(C3CCCCC3)nc2c1,MHFACZFEOYAZDD-UHFFFAOYSA-N
-rxn:2:137898:159147,CCOC1CC(Nc2cnc3ccnc(N(C(C)C)C(C)C)c3c2)C12CCCCC2,IZRYVZDKZGTIMK-UHFFFAOYSA-N
-rxn:2:138182:127451,CCC1CC(Nc2nc(CN3CCC(N(C)C)CC3)cs2)CCC1C(C)C,FADXBXZWLPHREN-UHFFFAOYSA-N
-rxn:2:138546:70751,CCN1CCN(c2nc(C)c(C(C)Nc3ccc(N4CCC(N(C)C)CC4)cn3)s2)CC1,AXOICDAGDAHZNQ-UHFFFAOYSA-N
-rxn:2:138575:152982,CCN1CCCC(Oc2ncncc2NC2CCc3cc(-c4cnn(CCC(C)C)c4)c(OC)cc32)C1,BJQYDBMAFBVDMJ-UHFFFAOYSA-N
-rxn:2:140012:169446,CCCC(NCCCN1CCC2(CC(OC)CCO2)C1)c1ccc(-c2c[nH]c3cccnc23)cc1,CPTAJQMUVZQUQJ-UHFFFAOYSA-N
-rxn:2:140411:154391,COC(CNC(C)CCCCn1c(=O)c2nc[nH]c2n(C)c1=O)C1CCC(F)(F)CC1,SKFHCYIZOGZKTO-UHFFFAOYSA-N
-rxn:2:145173:85111,CCCC(Nc1nnc(Cc2ccc(OC)c(C(C)C)c2)[nH]1)C1CCCN(C2CC2)C1,FKRNTAQHZZQKGU-UHFFFAOYSA-N
-rxn:2:145896:149145,CCN1CCN(c2ncnc3[nH]nc(NC(CCN4CCCCC4)c4ccc(OC)c5ccccc45)c23)CC1,XSNXLBPAXRVQIT-UHFFFAOYSA-N
-rxn:2:147241:163344,CC(Nc1nc(N2CCOCC2)nn1-c1ccccn1)c1ccc(OC2CS(=O)(=O)CC2N(C)C)cc1,COTOLXQJXVZDSP-UHFFFAOYSA-N
-rxn:2:147858:128977,CCn1cc(C(CN2CCOCC2)NCC2c3[nH]c4ccc(OC)cc4c3CCN2C)c(C)n1,LLXVSNJRHZQNHN-UHFFFAOYSA-N
-rxn:2:148854:169615,CCCCSC(=N)C(F)(F)c1ccc2c(c1)C(Nc1nn3c(=O)cc(CCC(C)C)nc3[nH]1)CC2,SVKZNVHAGQKRHA-UHFFFAOYSA-N
-rxn:2:153845:147968,CCCCC(/N=c1\ncc2c([nH]1)CC(C)(C)CC2=O)NC1(c2nc(-c3nncn3C(C)C)c[nH]2)CCC1,ZEPHMNYYXWZILO-UHFFFAOYSA-N
-rxn:2:155156:132904,CC(NC1CCN(CCCN(C)C)C2CCCCC12)C(F)(F)c1ccc2c(c1)ncn2C,NDPPRVVKWHQOTP-UHFFFAOYSA-N
-rxn:2:160382:149130,CCc1nc2cc(C(CCN3CCCCC3)Nc3cn4cc(C5COCCO5)nc4cc3OC)ccc2[nH]1,SBMZOEFEMPAOMU-UHFFFAOYSA-N
-rxn:2:165261:151726,COc1c2c(cc3c1C(CC(C)NC1CCN(c4nccc5cc(C)ccc45)CC1)N(C)CC3)OCO2,BTGBXJIDRIYPHS-UHFFFAOYSA-N
-rxn:2:167624:114770,CCCC(Nc1nc2ccccc2cc1COC(C)CC)C1CCCCN1C1CCC1,CSBQWDJJWFVZBF-UHFFFAOYSA-N
-rxn:2:65843:103613,CCCC(NC1(c2ccc(C3CCCC3)cc2)CCCC1)C1CCCN(CCC)C1,JFYATFMUQMTNPM-UHFFFAOYSA-N
-rxn:2:66318:71857,CN(C)CCC(NC1CCN(CC2(F)CCSCC2)CC1)c1ccncc1,UQMMJNLANCLRDL-UHFFFAOYSA-N
-rxn:2:66737:71455,CN1CCCC(N(C)Cc2nnsc2NC2CC3C(C2)C2CN(C)CC3C2(F)F)C1,XUJJMZKFSLWSFF-UHFFFAOYSA-N
-rxn:2:66905:82725,CCCCC(NC1CCC(N(C)C2CCCCC2)CC1)c1ccc2c(c1)CCCC2,WUTXCRVSNQRCBS-UHFFFAOYSA-N
-rxn:2:67282:142878,CCN1CCN(c2c(NC(C)c3cc(-c4cnn(C5CCOC5)c4)ccc3OC)c(C)nn2C)CC1,HZPLFGMYJFVJKM-UHFFFAOYSA-N
-rxn:2:67505:110916,CC(C)C1CCCC(NC2CC(N(C)C)C2(C)C)CC1,CSGYPNRZFJGXTH-UHFFFAOYSA-N
-rxn:2:67534:101165,CCC[C@H]1CC[C@H](c2ccc(C(C)Nc3nccnc3OCCC3CCCCC3)cc2)CC1,GMXPMBMMJSRRMH-QPRYJZSHSA-N
-rxn:2:67612:113283,CCc1ccc2c(c1)C(NC(c1ccc(CN3CCC3)cc1)C1CCCCC1)CC(C)(C)C2,WXIJFBIWSBYKIL-UHFFFAOYSA-N
-rxn:2:67632:160527,CCCOC1CCCCC1NC(c1ccc(-c2ccn(C3COC3)n2)cc1)C(C)C1CC1,SNKRMPBKRDKARE-UHFFFAOYSA-N
-rxn:2:68244:164666,Cc1cc(C(C)NCC(F)(F)CN2CCOC(C)C2)c2nc(N3CCOCC3)cc(=O)n2c1,ADIFBNDCHPQGRD-UHFFFAOYSA-N
-rxn:2:68432:110753,CCC(NC1CCCC1c1ccc(OC)cc1OC)C1CCN(c2ccc3c(c2)OCO3)C1,YFLIBNVEQDKZJO-UHFFFAOYSA-N
-rxn:2:68539:148664,CCc1nc2cc(C(CCOC)Nc3cc(CC4CCCC4)n(C4CCCCC4)n3)ccc2[nH]1,IBSMNVSCLWHBDX-UHFFFAOYSA-N
-rxn:2:69014:138478,CCCN(C)CC1(NC2CCC3(CCc4ccccc43)CC2)CCCC1,KVBRFANJPSRXJI-UHFFFAOYSA-N
-rxn:2:69447:124477,CSCC(NC1CC(CS(=O)(=O)c2ccc(C)cc2)C1)C1C2CC3CC(C2)CC1C3,TXLAOIHGBPJNNW-UHFFFAOYSA-N
-rxn:2:70109:72475,CC[C@H]1CC[C@H](C2CCC(Nc3cccc4c3CCC43CC3)CC2)CC1,GMWIDNUZVUGJEG-GOHCJOFJSA-N
-rxn:2:70251:153335,CCS(=O)(=O)c1ccc(C(NCCCN2CCC(N(C)C)CC2)C2CCCC2)cc1,ZTOPTGUNFFXBKN-UHFFFAOYSA-N
-rxn:2:70394:142451,CC(=O)c1cncc(C2C(CCSC(C)NC3(c4nc(C)nn4C)CCCCC3)C2(F)F)c1,OLTITFNTMWFSAP-UHFFFAOYSA-N
-rxn:2:70840:169367,CCOC(CNC(c1c[nH]c2c(C(C)C)cccc12)C1CCCC1)C1CCCC1,DDHUGKRXFOBTMJ-UHFFFAOYSA-N
-rxn:2:70894:142242,CCCC(C)(CNC1CC(c2ccccc2)C12CCCC2)C1CCCC1,MJZYKSIGZGJCFL-UHFFFAOYSA-N
-rxn:2:72122:136378,CS(=O)(=O)OCCN1CCC(NCC2C(c3scc4c3OCCO4)C2(F)F)CC1,NMWPTKSCFJLZGI-UHFFFAOYSA-N
-rxn:2:72236:136378,CON(C)C(CNC1CCN(CCOS(C)(=O)=O)CC1)c1ccncc1,NBYUWADOYFRGBD-UHFFFAOYSA-N
-rxn:2:72615:110396,CCC1CCCN(CCCC(C)NC(c2ccccn2)C2CCN(C)CC2)C1,DOGQQELWHHRYFV-UHFFFAOYSA-N
-rxn:2:72615:66007,CC(CCOCC1CCOC1)NC(c1ccccn1)C1CCN(C)CC1,LADBXNRHAMDBQC-UHFFFAOYSA-N
-rxn:2:72615:95351,CC(CCCCN1CCOC(C)C1)NC(c1ccccn1)C1CCN(C)CC1,ITAAIHHQUXBQJH-UHFFFAOYSA-N
-rxn:2:73161:124269,CCN(C)C1(CNC2CCCc3c2ccn3C2CC2)CCN(C2CC2)C1,GOTQLAHRNFAHRV-UHFFFAOYSA-N
-rxn:2:74888:152343,CC(NCC(C1CCOC1)N1CCC(N(C)C)CC1)c1ccc(-c2n[nH]c3ccccc3c2=O)s1,RELFBQDTCDPUCY-UHFFFAOYSA-N
-rxn:2:74937:110220,O=S(=O)(c1cccs1)C1CCC(NC2(COC34CC5CC(CC(C5)C3)C4)CC2)CC1,VLLUSBJUJNENBQ-UHFFFAOYSA-N
-rxn:2:75075:150859,CCCc1cn2nc(NCC(OC)C3CCC(F)(F)CC3)nc2n(CCC)c1=O,MLTOJRSULIDCTO-UHFFFAOYSA-N
-rxn:2:76207:95986,CC#CC1(F)CC(NC(c2cccc(CN3CCCCC3)c2)C2CC2)C1,KQHUQNCKWZNUSF-UHFFFAOYSA-N
-rxn:2:76529:149426,CC(NCC1CCCCCC1Sc1nnc[nH]1)SCCC#Cc1ccc(C(=O)C2CC2)cc1,AADMDUZKMCUVPI-UHFFFAOYSA-N
-rxn:2:76532:118424,CCC(NCCCN1CCC2(CC1)CC(OC)CCO2)c1ccc(-n2cncn2)cn1,HHQDEYBZWRQGMK-UHFFFAOYSA-N
-rxn:2:76532:144400,COC1CCOC2(CCN(CCCNC(c3ccc4c(c3)CC(C)O4)c3cscn3)CC2)C1,NCWXTRYGOMQWGR-UHFFFAOYSA-N
-rxn:2:76532:156026,COC1CCOC2(CCN(CCCNC(C)c3cnc4cc(-c5ccccc5)nn4c3C)CC2)C1,WDIXTMYCSKCTHS-UHFFFAOYSA-N
-rxn:2:76532:162039,COC1CCOC2(CCN(CCCNC3c4ccccc4[C@H]4CN(C)CCN4c4ncccc43)CC2)C1,MGFGMZLMXMMHHW-OXOHJMPHSA-N
-rxn:2:76532:166778,COC1CCOC2(CCN(CCCNC(C)c3cc4ccccc4nc3C)CC2)C1,YMMZCNRAEYGAEW-UHFFFAOYSA-N
-rxn:2:77513:109579,CCCCC1CCC(c2cc(NC(COC3CCCC(C)C3)c3ccccc3)[nH]n2)CC1,VIVXOJLFNGUXNX-UHFFFAOYSA-N
-rxn:2:77662:111805,COC(CNc1cn(C2(C)COC2)nc1OC(C)C)C1CC(F)(F)C1,NHAWEFGRLIXOJN-UHFFFAOYSA-N
-rxn:2:77861:139234,CC(NC1CCC(OS(C)(=O)=O)CC1)C(c1ccc2c(c1)OCO2)N(C)C,WCSSZDNUNVUPHE-UHFFFAOYSA-N
-rxn:2:78046:96512,O=S(=O)(OCCNC1CC2C(C1)C1CN(C3CC3)CC2C1(F)F)c1cccs1,AVWVLEAOFWHNLG-UHFFFAOYSA-N
-rxn:2:78137:106485,COc1ccc(N2CCOCC2)c(NC(CC2=NCCO2)c2cc(OC)ccc2OC)c1,GCCCXTVNRBMRCU-UHFFFAOYSA-N
-rxn:2:78304:124269,CCN(C)C1(CNC(c2ccccn2)C2CCN(C)CC2)CCN(C2CC2)C1,SABSPGGPEZXMPM-UHFFFAOYSA-N
-rxn:2:78525:120197,CN(C)C(C1CCOCC1)C1(CNC(c2ncc[nH]2)C(C)(C)F)COC1,VADPNCLRMQIMOB-UHFFFAOYSA-N
-rxn:2:78709:141891,Cc1ccccc1C1CCCCCC1CNC(c1ccc(C)c(C(C)(C)C)c1)C1CCCCC1,OMFJLKDXVSQMDN-UHFFFAOYSA-N
-rxn:2:79124:152541,CC(CC(C)(C)n1[se]c2cccnc2c1=O)NCC1(S(=O)(=O)C2CCCC2)COC1,GQDBLPUGSXLRLE-UHFFFAOYSA-N
-rxn:2:79350:109579,CCCCC1CCC(c2cc(NC(C)c3ccccc3OCC3CCCO3)[nH]n2)CC1,USCNTURAXDRJSA-UHFFFAOYSA-N
-rxn:2:79732:76539,CCCN1CCCCC1c1ccc(NC(C)CCCN(C)C2CCCC2)nc1C,SGCPPQPKWIVAHC-UHFFFAOYSA-N
-rxn:2:79778:124533,COCC1C(F)(F)C12CCC(Nc1cc(=O)[nH]n1CCCN(C)C)CC2,SATWDQGOMDKXIN-UHFFFAOYSA-N
-rxn:2:79960:107293,CCCC1CCN(c2c[nH]nc2NC(COCC(C)C)c2ccc3c(c2)CCC3)CC1,BDKBQAFDKJMJPC-UHFFFAOYSA-N
-rxn:2:80298:162679,Cc1c2c(nn1COCC[Si](C)(C)C)C(N[C@@H](c1ccc3ccccc3n1)C1CCOCC1)CC2,KSEUKVHZVXEFHM-SSYAZFEXSA-N
-rxn:2:81051:125863,CCN1CCN(c2ncc(C(C)Nc3ccc(N4CCC(C)CC4)nc3OC)c(C)n2)CC1,DYGGAZUAMNAEFJ-UHFFFAOYSA-N
-rxn:2:81735:156626,CCC(NC1CC(C(C2CCN(C)C2)N(C)C)C1)c1ccc(-c2c(C)cnn2C)cc1,BVNSXXZMAIYYHJ-UHFFFAOYSA-N
-rxn:2:82524:80070,CCCCC(CS(C)(=O)=O)NCc1ccnc(N2CCN(CC)CC2)c1,WFIULHQGVGRRDV-UHFFFAOYSA-N
-rxn:2:82872:117859,CCCC(Cc1ccc2c(c1)CCCC2)NC1CCC(OCC2CC2)CC1,XHSRJUAXWMWNON-UHFFFAOYSA-N
-rxn:2:82967:73715,CCC(NC(CC1CCOCC1)c1ccccc1OC)c1cnc(N2CCCC2)cc1C,LQXFHZMTZGGQRA-UHFFFAOYSA-N
-rxn:2:83058:124269,CCN(C)C1(CNC2c3ncccc3CCC23CC3)CCN(C2CC2)C1,HLRBHCOASXLUPJ-UHFFFAOYSA-N
-rxn:2:84175:147968,CCCCC(/N=c1\ncc2c([nH]1)CC(C)(C)CC2=O)NC(c1nccn1CC)C1CCCOC1,LVJATKJHZCHRTD-UHFFFAOYSA-N
-rxn:2:84594:132977,CC(C)C1CCC(NC2CCC(N(C)C(C)(C)C)CC2)CC1,ASVXRTARLKCCFJ-UHFFFAOYSA-N
-rxn:2:85319:91160,CC(C)CC1(CNC2CCC(N(C)CCN(C)C)CC2)N=N1,FOGITVFQKUXWGO-UHFFFAOYSA-N
-rxn:2:85458:103141,CC(NCCN(C)C1CCC(N(C)C)CC1)c1ccc(C#CC2CC2)s1,HBTZNDJBACRYKG-UHFFFAOYSA-N
-rxn:2:85978:111056,CCCC1CCC2(CC1)CCC(NC[C@@]1(C)C[C@H]1c1ccccc1)CC2,BXQZGCZGBYDVDR-VPFGCPFHSA-N
-rxn:2:85978:172031,CCCC1CCC2(CC1)CCC(Nc1cc(-c3ccc4c(c3)CCCC4)ccc1C)CC2,MEVZIFPNEIDXPB-UHFFFAOYSA-N
-rxn:2:86557:102757,CN1CCCC(N2C3CCC2CC(NCCS(=O)(=O)c2ccc4c(c2)OCCO4)C3)C1,YDQCQHCRDXNHMR-UHFFFAOYSA-N
-rxn:2:86659:88214,CCCC1CCC(C2CCC(Nc3ccc4c(c3)C(CC(C)C)N(C)CC4)CC2)CC1,YMQZHVNQZOPLKS-UHFFFAOYSA-N
-rxn:2:86889:96028,CC1CCC(C(C)C)C(Oc2ncc(NC(C)CCCCN(C)C)cn2)C1,GZWDRPCEALNMQI-UHFFFAOYSA-N
-rxn:2:87390:132141,CCCC(COC1CCC(C)CC1)Nc1ccc(N2CCCCCC2)cc1,BBLFBBFGMOUDEI-UHFFFAOYSA-N
-rxn:2:88893:127848,O=S1(=O)CCCCC1C(NCC#Cc1ccsc1COC1CCCC1)c1ccc[nH]1,WODVCPUDVFIQRB-UHFFFAOYSA-N
-rxn:2:89817:125595,CCC(CNC(CCS(C)(=O)=O)C1CC1)(OC)C12CC3CC(CC(C3)C1)C2,LMMXPJWFRXMCCY-UHFFFAOYSA-N
-rxn:2:90147:141924,O=S(=O)(F)c1ccc(C(NCCCN2CCN(C3CCSCC3)CC2)C2CC2)cc1,FRCOZVRICRHCCV-UHFFFAOYSA-N
-rxn:2:90164:149130,CCc1nc2cc(C(CCN3CCCCC3)Nc3ccc(OC)c(CN4CCCC4)c3)ccc2[nH]1,MZQPCRNEFBSGJK-UHFFFAOYSA-N
-rxn:2:90506:110182,CCC(Nc1ccnc(CN(C)C2CCN(C)CC2)n1)C1(c2ccccc2)CCN(C)CC1,PIMHCERQNXQTGV-UHFFFAOYSA-N
-rxn:2:90592:71520,CCCC1CCC(c2ccc(NC(C)CCC3CCCCCC3)cc2)CC1,PWSNIMFNXBFSQT-UHFFFAOYSA-N
-rxn:2:91160:102322,CN(C)CCN(C)C1CCC(Nc2c(C3CC3)cnn2CC2CC2(F)F)CC1,ABXAXUXPMRYEBJ-UHFFFAOYSA-N
-rxn:2:91160:108183,CC(CNC1CCC(N(C)CCN(C)C)CC1)CSc1nccn1C,KMRWVBDFYPGMME-UHFFFAOYSA-N
-rxn:2:91160:126606,CCOS(=O)(=O)c1ncccc1NC1CCC(N(C)CCN(C)C)CC1,QFXZFMTVMZCXLV-UHFFFAOYSA-N
-rxn:2:91160:133152,Cc1cnn(C(C)C2CC2(F)F)c1NC1CCC(N(C)CCN(C)C)CC1,BYFIGYTUCJWLNB-UHFFFAOYSA-N
-rxn:2:91160:138277,CC(C)CSc1ccc(CNC2CCC(N(C)CCN(C)C)CC2)cn1,CERVKQLVBCTVMD-UHFFFAOYSA-N
-rxn:2:91323:151595,COc1ccc2[nH]cc(C(NCC3COCCOCCOCCOCCO3)c3ccc(C)cc3)c(=O)c2c1,SNWZJADCXIOGBG-UHFFFAOYSA-N
-rxn:2:91332:123413,O=S(=O)(F)c1ccc(C#CCCNC2CC3CCC2CN3C2CCCC2)cc1,XYFAJNVIGGEUKA-UHFFFAOYSA-N
-rxn:2:91793:116804,CCC[C@H]1CC[C@H](C2CCC(Nc3ccc(COC4CC4)cc3)CC2)CC1,RSTVXSDTQLJHAS-JOWOGCKQSA-N
-rxn:2:91900:170275,CCCCSC(=N)C(F)(F)c1ccc2c(c1)CCC2NCC1CCN(c2nncc(=O)[nH]2)CC1,KYDUSQFEYJLKNQ-UHFFFAOYSA-N
-rxn:2:92298:123131,CN(C)C1(C)CCC(NC2C3CN4CN(C3)CC2(C2CCCC2)C4)CC1,GEJIXIXFEAWMDF-UHFFFAOYSA-N
-rxn:2:92636:90063,CCS(=O)(=O)C1(CNC2c3ccccc3OCC2CN(C)C)CC2(CC2)C1,SEGFFUKMVHRORU-UHFFFAOYSA-N
-rxn:2:92910:101165,CCC[C@H]1CC[C@H](c2ccc(C(C)Nc3cnc(OCC4CCCN(CC)C4)nc3)cc2)CC1,FCHCMCNZKXONKE-RHMIKRRMSA-N
-rxn:2:93213:147968,CCCCC(/N=c1\ncc2c([nH]1)CC(C)(C)CC2=O)NCCn1cnnc1C1CCC(F)(F)CC1,ZETFZRRQOXEQRE-UHFFFAOYSA-N
-rxn:2:93340:136378,COc1ncccc1C(F)(F)CNC1CCN(CCOS(C)(=O)=O)CC1,BHYMUFAJFVDYTK-UHFFFAOYSA-N
-rxn:2:93412:142242,CCCC(C)(CNC1CC2(CCCCC2)c2ccccc21)C1CCCC1,ODWDHBCTNREYEE-UHFFFAOYSA-N
-rxn:2:93412:97431,CCCC(C)(CNC1CC2(CCCCC2)c2ccccc21)N1CCCC1,PQCGQJOHVFOADB-UHFFFAOYSA-N
-rxn:2:95301:103107,CCC(Nc1cnc(N2CCOCC2)cc1OC)c1cnc(N2CCN(C)CC2)c(C)c1,WMRGYPIKQXBVQY-UHFFFAOYSA-N
-rxn:2:96370:160527,CCCOC1CCCCCC1NC(c1ccc(-c2ccn(C3COC3)n2)cc1)C(C)C1CC1,VJOKDRAIDKUZQC-UHFFFAOYSA-N
-rxn:2:96509:148296,CS(=O)(=O)c1ccc(C2CCC(NCCCc3nccc(C4CCOCC4)n3)CC2)cc1,WREHXAZROFGTFS-UHFFFAOYSA-N
-rxn:2:96643:118597,CCC(COC1CCCC(C)C1)NCCCC1CCC(c2cccnc2)CC1,ZCSDSIPTTLGUBL-UHFFFAOYSA-N
-rxn:2:96789:128657,COc1cccc(C(CN2CCN(C)CC2)NCC(OC)C2CCOCC2)c1,KNULJYBAWCAMIM-UHFFFAOYSA-N
-rxn:2:97246:88214,CCCC1CCC(C2CCC(NCCCCC(C)(C)C)CC2)CC1,DEAWMJAEGSCWHM-UHFFFAOYSA-N
-rxn:2:97409:132052,COc1ccc(CC(NC(c2ccc(OC(C)(C)C)cc2)C2CC2)C2CCCCCC2)cc1,IDIVWCGQRHUMAY-UHFFFAOYSA-N
-rxn:2:98035:142451,CC(=O)c1cncc(C2C(CCSC(C)NC3(c4nc(C(C)C)nn4C)CCCC3)C2(F)F)c1,XYYOTNXPHCMCMO-UHFFFAOYSA-N
-rxn:2:98558:142242,CCCC(C)(CNC1CCC2(CCCC2)c2ccccc21)C1CCCC1,JIWVJNYNKFHIFU-UHFFFAOYSA-N
-rxn:2:98558:97431,CCCC(C)(CNC1CCC2(CCCC2)c2ccccc21)N1CCCC1,XAGAPNQJDRLUML-UHFFFAOYSA-N
-rxn:2:99460:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3NC2CC(C(C3CCCC3)N(C)C)C2)cn1,SBMSLIPLBMQEDA-UHFFFAOYSA-N
-rxn:2:100045:134417,CCC(NCc1ccnc(N2CC3CN(C)CC3C2)n1)c1ccc(N2CCOCC2)nc1C,DDAKYZYKLCTTDR-UHFFFAOYSA-N
-rxn:2:100221:161891,CCOC1CN(c2ccccc2NC(C#CN2CCN(C)CC2)c2cc(C)ccc2C)CC1OC,CVMDIXTYKBBWSE-UHFFFAOYSA-N
-rxn:2:100568:139138,CC1(C)C2CCC1(CS(=O)(=O)[O-])C(NC13CCN(CC1F)C3)C2,KYKOAJIYMLIWJG-UHFFFAOYSA-M
-rxn:2:100898:136302,CCCC(NCCCCC(C)(F)F)C1CC2(CCC2)C1,PNJGVHKACFTMSL-UHFFFAOYSA-N
-rxn:2:102208:141891,Cc1ccc(C(NCC2CN(C(C)C)C2)C2CCCCC2)cc1C(C)(C)C,ADWREAANAMWKKC-UHFFFAOYSA-N
-rxn:2:102750:148822,CC(NC(c1ccc(S(C)(=O)=O)cc1)C1CCCCC1)C12C3C4C5C3C1C5C42,VOWCDJWDGBGHLC-UHFFFAOYSA-N
-rxn:2:103931:155396,CC(=O)c1ccc(C2C(CSC(C)Nc3cnc(N4CCOCC4)nc3N(C)C)C2(F)F)nc1,ASXHEYLRJFAPNN-UHFFFAOYSA-N
-rxn:2:104152:137038,CC1(C)Cc2ccc(C(C)(C)C)cc2C(N[C@H]2C[C@H](C3CCCC3)C2)C1,XFBDWOUDFKEDOD-JWSDMNKESA-N
-rxn:2:104351:112455,CCCC(NC(C)COc1ccc(C(C)(C)C)cc1)C1CCCN1C1CCCCC1,YGVMYPWNBXZHBX-UHFFFAOYSA-N
-rxn:2:105079:170273,CCC(Nc1ccc2c(c1)CN(CCCOC)CC21CC1)c1cccc(-c2ccc(N3CCCCC3)nc2)c1,AZUXMWMGBACNEM-UHFFFAOYSA-N
-rxn:2:105079:171592,CCC(Nc1ccc2c(c1)CN(CCCOC)CC21CC1)c1ccc(-c2ccc(N3CCCCC3)nc2)cc1,UKRRZYRJFWQSAT-UHFFFAOYSA-N
-rxn:2:105350:143973,O=S1(=O)CCN(c2nccc(CNC3CCN(C4=NS(=O)(=O)c5ccccc54)CC3)n2)CC1,BQOPWHPJNYQSOY-UHFFFAOYSA-N
-rxn:2:105485:90505,CCn1ncc(C(CN2CCOCC2)NCc2ccc(N3CCC(N(C)C)CC3)cc2)c1C,KGDJOJXCBFFEEF-UHFFFAOYSA-N
-rxn:2:105612:130197,CCC(NC1CC2(CCN(C)CC2)Oc2ccc(C)cc21)c1ccc(N2CCN(C)CC2)nc1C,JXCANHCLROHUSI-UHFFFAOYSA-N
-rxn:2:106047:122881,Cc1cc(NC(C)c2ccccc2OCC2CCCN(C)C2)cnc1N1CCC(CN(C)C)CC1,YOINOGYGOHRJSU-UHFFFAOYSA-N
-rxn:2:106047:138786,Cc1cc(NC(C)c2ccc(N3CCOCC3)s2)cnc1N1CCC(CN(C)C)CC1,NMYPCKCAFZJHCM-UHFFFAOYSA-N
-rxn:2:106047:87256,Cc1cc(NC(C)c2cc(CN3CCOCC3)cs2)cnc1N1CCC(CN(C)C)CC1,OUCHMFBFAJMPEE-UHFFFAOYSA-N
-rxn:2:106065:168624,C[C@@H](NC(CS(C)(=O)=O)c1ccc(S(C)(=O)=O)cc1)C12C3C4C5C3C1C5C42,UAXAPMLYWDTSIW-RMXBBNSMSA-N
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-rxn:2:108469:118025,COCC1(C)CCN(c2ncccc2NC(CCCN2CCC(C)C2)c2ccccc2)CC1,NSGKSPOKBDFTKL-UHFFFAOYSA-N
-rxn:2:108469:82094,COCC1(C)CCN(c2ncccc2NC(c2cccc(CN3CCN(C)CC3)c2)C2CC2)CC1,WZMBKMHLAFQNHD-UHFFFAOYSA-N
-rxn:2:108469:96642,CCCC(Nc1cccnc1N1CCC(C)(COC)CC1)C1CCN(C2CC2)CC1,XYCOUPKUSWIBKL-UHFFFAOYSA-N
-rxn:2:109082:148296,CS(=O)(=O)c1ccc(C2CCC(NCC(c3ccc[nH]3)C34CC5CC(CC(C5)C3)C4)CC2)cc1,LTMMJURPCSPUFU-UHFFFAOYSA-N
-rxn:2:109266:125496,CCC(NCc1ccc(C)c(S(C)(=O)=O)c1)C1CCCN(C2CCCC2)C1,FRQSJTRAHOXKBC-UHFFFAOYSA-N
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-rxn:2:110040:131618,CN(C(C)(C)C)C(C)(C)CCNC1CCC(C2CCCC2)CC1,JAJWGLVZDNWBRZ-UHFFFAOYSA-N
-rxn:2:112507:160095,COC1CCOC2(CCN(CCNC(C)c3ccc(-c4ncccc4C4CC4)cn3)CC2)C1,JRCMFLFYMDZSSI-UHFFFAOYSA-N
-rxn:2:113048:117066,CC(NCC1CCOC12CCS(=O)(=O)CC2)c1ccc(OS(=O)(=O)[O-])cc1,XKXWFPLHKNHKGM-UHFFFAOYSA-M
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-rxn:2:113527:149971,CC(NCc1ccnc(N2CCC(N(C)C)CC2)n1)c1cc(-c2ccnc(N3CCN(C)CC3)c2)ccn1,LMQDYPKVNYTJTH-UHFFFAOYSA-N
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-rxn:2:114498:136619,CCC(CN1CCC(N(C)C)CC1)Nc1c(C2CC2)cccc1C1CC1,NKDDXOYHFKZDFA-UHFFFAOYSA-N
-rxn:2:114498:166761,CCC(CN1CCC(N(C)C)CC1)Nc1cn(-c2ccnc(C3CC3)c2)nc1C1CC1,VWTUZEBRVWEEEQ-UHFFFAOYSA-N
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-rxn:2:115074:128628,O=S1(=O)CCC(Nc2cc(COC3C4CC5CC(C4)CC3C5)n[nH]2)C(F)C1,SBFPFCBLCHCJAY-UHFFFAOYSA-N
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-rxn:2:115844:170234,CCCC(C(NC1CC2(C1)CC(OC)C2)c1cccc2ccccc12)N1CCCC1,BFCMSQOOKSEVLJ-UHFFFAOYSA-N
-rxn:2:116409:126600,Cc1ccc(C(C)NCC2CN(C3CCOCC3)C2)c(OS(=O)(=O)F)c1,PKPNKGCKLNWMBR-UHFFFAOYSA-N
-rxn:2:116821:144616,CC(C)c1nc2cc(C(CCN3CCCCC3)Nc3cnc(OCC4CCN(C)CC4)nc3)ccc2[nH]1,HWCYYAIOKJNZAV-UHFFFAOYSA-N
-rxn:2:117139:132787,CCOc1ccc(C(C)Nc2ccc(OCC3(C)COC3)nn2)cc1OC1CCN(C)CC1,CPKZJYKERWQLTK-UHFFFAOYSA-N
-rxn:2:117139:145659,COc1ccc(C(C)Nc2ccc(OCC3(C)COC3)nn2)cc1C#CCCSC(C)=O,RVRBDDNJFGGQRP-UHFFFAOYSA-N
-rxn:2:117344:67403,CCC(Nc1ccc2c(c1)CN(CCN1CCOCC1)C2)c1cnc(N2CCCC2)cc1C,KRDMLTPHSQAFBG-UHFFFAOYSA-N
-rxn:2:117354:131663,Cc1cccc(C(CCS(C)(=O)=O)NCC2CN3CC4CC3(CO2)C4)c1,SWQJURMPGGDZFX-UHFFFAOYSA-N
-rxn:2:117418:71520,CC(CCC1CCCCCC1)NCCCCCC(C)(C)C,UBJQYWRWXRHUPH-UHFFFAOYSA-N
-rxn:2:117528:149971,CC(NCC1CN(C)CC12CCOCC2)c1cc(-c2ccnc(N3CCN(C)CC3)c2)ccn1,FGMZKUQHDJEILK-UHFFFAOYSA-N
-rxn:2:117825:110482,CCCC(Nc1cccnc1N1CCCC(COCC)C1)C1CCCCN1C1CC1,NFELYMNIKBLJGY-UHFFFAOYSA-N
-rxn:2:117893:154111,CCC(NC1CCSc2ccc(-c3ccnc(OC4CC4)c3)cc21)c1cnc(N2CCN(C)CC2)cc1C,FXEDZRKEMYJFKT-UHFFFAOYSA-N
-rxn:2:118779:149145,COCc1cc(N2CCC(NC(CCN3CCCCC3)c3ccc(OC)c4ccccc34)CC2)ncn1,RVDOFLUENIEVMY-UHFFFAOYSA-N
-rxn:2:118870:123196,CC(=O)c1ccc(C2C(CSC(C)Nc3n[nH]cc3N3CCC(CN(C)C)CC3)C2(F)F)s1,ZLILZGQAIOICBK-UHFFFAOYSA-N
-rxn:2:119309:74747,CCC1(C)CC(NC2C[C@H]3CC[C@]2(CS(=O)(=O)[O-])C3(C)C)c2ccc3c(c2O1)OCO3,QAZZWZFPUGKPJC-XDVRDLHASA-M
-rxn:2:119336:126600,Cc1ccc(C(C)NC2CCC2N2CCOC(C)C2)c(OS(=O)(=O)F)c1,XZAANFBLCHVAKE-UHFFFAOYSA-N
-rxn:2:119530:103107,CCC(NCc1ccc(C)nc1N1CCC(N(C)C)CC1)c1cnc(N2CCN(C)CC2)c(C)c1,VEKUQVPOVLRUEY-UHFFFAOYSA-N
-rxn:2:119892:136378,CS(=O)(=O)OCCN1CCC(NCc2ccnc(S(=O)(=O)C3CC3)c2)CC1,AZFHFIRNFFLWBP-UHFFFAOYSA-N
-rxn:2:121655:129896,CCCOC1CCCN(C2CCCCC2NC(c2ccc(N3CCCCC3)cc2)C2CC2)C1,KHBAVDIDBBLVOO-UHFFFAOYSA-N
-rxn:2:122039:148822,CCN(CCNC(c1ccc(S(C)(=O)=O)cc1)C1CCCCC1)C1CCCCCC1,UEWQEKGWVVCPIQ-UHFFFAOYSA-N
-rxn:2:122646:127230,CC(C)C(Nc1ccc(OCCN2CCN(C)CC2)nc1)c1csc(N2CCOCC2)n1,CBYPYKSIPHMUIE-UHFFFAOYSA-N
-rxn:2:123196:161479,CC(CCC1(c2ccc3[nH]c(=O)[nH]c3c2)COC1)Nc1n[nH]cc1N1CCC(CN(C)C)CC1,SGEXYCKNRYEIOS-UHFFFAOYSA-N
-rxn:2:123305:106168,CCC1CC(C(NCC2(N3CCCC(C)C3)CCN(C)CC2)c2ccnn2C)C1,YJQMKARARMAYRH-UHFFFAOYSA-N
-rxn:2:123305:114357,CC1CCCN(C2(CNC(c3ccnn3C)C3CC3)CCN(C)CC2)C1,OCZUIZYQRDAQKB-UHFFFAOYSA-N
-rxn:2:123990:139138,CC1(C)C2CCC1(CS(=O)(=O)[O-])C(NCCO[Si]13OCCN(CCO1)CCO3)C2,ONORHNKYBCNUKY-UHFFFAOYSA-M
-rxn:2:124976:143973,O=S1(=O)CCN(c2ccc(CNC3CCN(C4=NS(=O)(=O)c5ccccc54)CC3)nn2)CC1,DXKRNVXIZDQPKE-UHFFFAOYSA-N
-rxn:2:125023:79396,CC1OC2(CCN(C)CC2)CC1NCCc1ccc(S(=O)(=O)C(C)C)cc1,MMWJFQMNABWEDF-UHFFFAOYSA-N
-rxn:2:125329:110753,CCC(NC[C@@]12CCCN1C[C@H](OC)C2)C1CCN(c2ccc3c(c2)OCO3)C1,ODLXULHEDIWAFL-BWLPEJSISA-N
-rxn:2:125690:171123,CCOCC(C)N1CCC(NC2CCCc3ccc(-c4cccc5c4CCCC5)cc32)CC1,ZVAFVISVVQNXOI-UHFFFAOYSA-N
-rxn:2:125722:91208,CCc1ccc(N2CCC(OC)CC2)c(NC(C)c2c(C)nc(N3CCN(C)CC3)nc2C)c1,CNSSLMFZFINFLV-UHFFFAOYSA-N
-rxn:2:126750:138789,O=c1cc(NC(c2ccc(CN3CCSCC3)cc2)C2CCC2)n(CCC2CCCCC2)c(=O)[nH]1,UVYBITRSLZIYMJ-UHFFFAOYSA-N
-rxn:2:126889:120210,CC(C)(C)C(CCN1CCCCC1)Nc1ccc(OCCN2CCCC2)nc1,BKHAFWIBJIAIEY-UHFFFAOYSA-N
-rxn:2:127327:140169,O=S(=O)(F)C1CCCCC1NCCCC1CCC(c2ccccn2)CC1,UKHAPTNXRNJKRU-UHFFFAOYSA-N
-rxn:2:127436:139138,CC1(C)C2CCC1(CS(=O)(=O)[O-])C(NCCSCC1C3CC4CC(C3)CC1C4)C2,SEFQAJZMUWHZHR-UHFFFAOYSA-M
-rxn:2:128441:140152,O=S(=O)(F)CCC(NCc1cnn(C23CC4CC(CC(C4)C2)C3)c1)C1CC1,QDFCHTFDOLLUPJ-UHFFFAOYSA-N
-rxn:2:128748:125863,CCCOc1cc(N2CCN(C)CC2)ccc1NC(C)c1cnc(N2CCN(CC)CC2)nc1C,HIXGNXBTNBMEGW-UHFFFAOYSA-N
-rxn:2:129293:74747,CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)[O-])C(NCc1ccc(=O)n(CC3CCC3)c1)C2,KUBWSLNSMVZCOK-IIAQOEISSA-M
-rxn:2:129637:135534,CCC(Nc1ccc(COCC(C)C)cc1)C1CCN(C2CCCC2)CC1,RXAHXMLSYKXGLZ-UHFFFAOYSA-N
-rxn:2:129951:147749,CCOc1ccc2ccccc2c1C(CN1CCCCC1)NC1(c2nc(C)cc(C3CCCN(C)C3)n2)CC1,WNRTUPJWUILGCG-UHFFFAOYSA-N
-rxn:2:130137:80298,Cc1c2c(nn1COCC[Si](C)(C)C)C(Nc1cc(CC3CCCC3)n(C(C)(C)C)n1)CC2,LNQHULCEKSRCAC-UHFFFAOYSA-N
-rxn:2:130655:106835,CCC(NC(c1ccc(OC)cc1)C(C)(C)N1CCOCC1)c1cnc(N2CCCCCC2)cc1C,ZWGBHIANMUSDFC-UHFFFAOYSA-N
-rxn:2:130687:148822,CS(=O)(=O)c1ccc(C(NCCC2CC2c2cccc(S(C)(=O)=O)c2)C2CCCCC2)cc1,VZDHGDGGXVACOR-UHFFFAOYSA-N
-rxn:2:131745:150130,CCN1CCC(n2cc(NC(C)c3ccc(OC(C)C4CCCN(C)C4)c(OC)c3)cn2)CC1,YTLOSKIPUGKCSQ-UHFFFAOYSA-N
-rxn:2:132257:114770,CCCC(Nc1ccc(OCCC2CCCN2C)cn1)C1CCCCN1C1CCC1,SIWIYCJFFKFSKN-UHFFFAOYSA-N
-rxn:2:132257:70249,CCCC(Nc1ccc(OCCC2CCCN2C)cn1)C1CCCCN1C1CCCC1,WUXHFUFXVABMAG-UHFFFAOYSA-N
-rxn:2:132413:163359,COC1CN(c2ccc(NC(C#CN3CCOCC3)c3cc(C)ccc3C)cc2)CC1OC,ZXKJDAVSGGCLIR-UHFFFAOYSA-N
-rxn:2:132538:99191,CCC(NCC1C(c2ccccc2)C1S(=O)(=O)CC)C1CCN(C2CCCCC2)C1,KMIHTIPAMFCNOL-UHFFFAOYSA-N
-rxn:2:132658:163743,Cc1cc(NC(c2cccc(S(C)(=O)=O)c2)C2CCC2)nn1CS(=O)(=O)C1CCCC1,VZELWLYBGQRVSQ-UHFFFAOYSA-N
-rxn:2:132803:164693,CCN1CCC(CNC(C)c2ccc(OC)c(-c3cncc(C)c3)c2)(N2CCOCC2C)CC1,UNVOSWYKFCTHAI-UHFFFAOYSA-N
-rxn:2:133266:114712,CCC1COCCN1C1(CNC(c2ccc(CN3CCN(C)CC3)cc2)C2CC2)CCN(C)CC1,DQXACBMJHLSXHQ-UHFFFAOYSA-N
-rxn:2:133266:82094,CCC1COCCN1C1(CNC(c2cccc(CN3CCN(C)CC3)c2)C2CC2)CCN(C)CC1,AUNMNFVMKFBYFC-UHFFFAOYSA-N
-rxn:2:134762:167836,CCN1CCN(Cc2c(C)nn(C)c2NC(C)c2ncc(-c3ccccc3CN(C)C)cc2OC)CC1,UQIRKCVVKUCQBQ-UHFFFAOYSA-N
-rxn:2:135027:147466,CCN1CCC(N(C)c2ccc(C)cc2NC(C)c2cccc(-c3ccn(C4COC4)n3)c2OC)CC1,UMNLQQSCYCEDOT-UHFFFAOYSA-N
-rxn:2:135079:140202,CC(NC1CC2CCC(C1)N2C1CCOCC1)c1ccc(OS(C)(=O)=O)cc1,VLWXNWQTQJSOMM-UHFFFAOYSA-N
-rxn:2:135385:123221,CCCC(Nc1c(C(C)(C)C)c(C)nn1C1CCCCC1)C1CCCN(C2CCCCC2)C1,KJFXNMLXGALMPI-UHFFFAOYSA-N
-rxn:2:135848:79757,CCOc1ccc(C(C)NCc2nc(C)cc(N3CCC(OC)CC3)n2)cc1CN1CCCC1,DWAVKSXPLSGPCJ-UHFFFAOYSA-N
-rxn:2:136212:166005,Cc1ccccc1OC1CCCCCC1NC1CCN(c2cccc(S(C)(=O)=O)c2)CC1,FUBCHVCMYVEAOO-UHFFFAOYSA-N
-rxn:2:136717:89167,CCC(NCC(C)Cc1nccc(C2CCN(C)CC2)n1)C1CC12CC2,OJNQEWZMVBXUEM-UHFFFAOYSA-N
-rxn:2:136751:136378,CS(=O)(=O)OCCN1CCC(NCc2ccsc2S(=O)(=O)C2CC2)CC1,KSRUHBHJGPISLZ-UHFFFAOYSA-N
-rxn:2:137027:127674,CCN(C1CCCCC1)C1(CNC2CCc3cc(N4CCN(C)CC4)ccc32)CCSC1,GGNCRNILGVPSKI-UHFFFAOYSA-N
-rxn:2:137027:75288,CCN(C1CCCCC1)C1(CNC2CCN(c3ccc4c(c3)CCC4)CC2)CCSC1,XNQMVKGTHUKIPT-UHFFFAOYSA-N
-rxn:2:137842:151041,CCC1CCC(CNC2CCc3cccc(-c4ccc(C5CC5)nc4)c32)C(OC2CCC2)C1,DZNGKVAPWQDKKH-UHFFFAOYSA-N
-rxn:2:137842:159943,CCC1CCC(CNC2CCc3ccc(-c4ccc(C5CC5)nc4)cc32)C(OC2CCC2)C1,IGTJNWVJXOUZGU-UHFFFAOYSA-N
-rxn:2:138055:143818,CC(CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)Nc1cnc(OCC2CCN(C3CC3)CC2)nc1,MRBFMPFXJHCZOS-UHFFFAOYSA-N
-rxn:2:138182:161479,CC(CCC1(c2ccc3[nH]c(=O)[nH]c3c2)COC1)Nc1nc(CN2CCC(N(C)C)CC2)cs1,OLZKUVUWLDNECZ-UHFFFAOYSA-N
-rxn:2:138182:72574,CC1CCC(Nc2nc(CN3CCC(N(C)C)CC3)cs2)C(CN(C)Cc2nccn2C)C1,UQCCJLCZVVGMGD-UHFFFAOYSA-N
-rxn:2:138545:73088,CC(CCCCN1CC(C)OC(C)(C)C1)Nc1ccc(OC2CCN(C)CC2)cn1,NUVNIJDADNUGOY-UHFFFAOYSA-N
-rxn:2:139138:137798,CC1(C)C2CCC1(CS(=O)(=O)[O-])C(N[C@@H]1C[C@@H]3CC[C@H]1C31CC1)C2,SMLNUSZJIDZSNR-FUYMFXGYSA-M
-rxn:2:140179:116370,CCCC1CCC(CCC2CCC(NCC(C)C(C)(C)C)CC2)CC1,WYCLWAFFNODZQF-UHFFFAOYSA-N
-rxn:2:141014:106835,COc1ccc(C(NCc2ccnc(N3CCN(C)CC3)n2)C(C)(C)N2CCOCC2)cc1,QGKQDBWIIFEFCR-UHFFFAOYSA-N
-rxn:2:141236:69720,CCN1CCN(c2nccc(CNC(C)c3ccc(CN4CCOCC4)c(OC)c3)n2)CC1,WAUBJVCUNDVTPG-UHFFFAOYSA-N
-rxn:2:151283:148822,CS(=O)(=O)c1ccc(C(Nc2cc(S(C)(=O)=O)cc(S(C)(=O)=O)c2)C2CCCCC2)cc1,YBMMXAVBZVMEGC-UHFFFAOYSA-N
-rxn:2:153861:94882,CCC(Nc1ccc2[nH]c3c(c2c1)CN(CC(C)C)CC3)c1ccc(OCC2CCCCC2)cc1,PQEVLUWXEBPLFF-UHFFFAOYSA-N
-rxn:2:153971:75910,Cc1cc2nc(C3CCN(C)CC3)cc(NC(c3ccccc3OCC(C)C)C3CCCO3)n2n1,HSAROMHOVAOZGY-UHFFFAOYSA-N
-rxn:2:156863:106196,CC(NC(C)(C)C(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)c1cnccc1OCCN1CCOCC1,AWIGYDCAHWWMMM-UHFFFAOYSA-N
-rxn:2:162900:117704,CCC1CCCN(CC(NCc2cn3cc(N4CCN(C)CC4)ccc3n2)c2cc(C)[nH]c2C)C1,YRQGRGLUKDRELM-UHFFFAOYSA-N
-rxn:2:162900:136585,CCCCC(NCc1cn2cc(N3CCN(C)CC3)ccc2n1)C1CC2(CCC2)C1,VBKXFFVHXSYXNR-UHFFFAOYSA-N
-rxn:2:163105:106367,CCS(=O)(=O)c1cc(NC(CC2CCCCC2)C(C)(C)c2ccccc2)cn(C2CC2)c1=O,FOLIYXHPNAKNFK-UHFFFAOYSA-N
-rxn:2:65966:70251,CC1CC(C(NCCCN2CCC(N(C)C)CC2)c2ccnn2C)C1,TWONPWVBIRQJEB-UHFFFAOYSA-N
-rxn:2:66171:69927,CN1CCC2(C1)Oc1ccccc1C2CNCC1CC2CCC(C1)S2(=O)=O,GGYFKOCSOIXUTF-UHFFFAOYSA-N
-rxn:2:66285:84594,CN(C1CCC(NC2CC2C2CCC2)CC1)C(C)(C)C,PMRCINGVCKBIGC-UHFFFAOYSA-N
-rxn:2:66407:117932,CCC(NC1c2ccccc2C2CN(C)CCC21)c1ccc(N2CCN(C)CC2)nc1C,KJHAIPPRCCVEPN-UHFFFAOYSA-N
-rxn:2:66407:134789,CCC(NC(C)c1ncc(C2CCN(C)C2)[nH]1)c1ccc(N2CCN(C)CC2)nc1C,RRIVVYRHMWMSHS-UHFFFAOYSA-N
-rxn:2:66635:74747,CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)[O-])C(NCC1(F)CCSC1)C2,LJLJQACYGLFULF-BNQIPGGESA-M
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-rxn:2:66737:70622,Cc1nn(C2CCN(C)CC2)c(NC2CC3C(C2)C2CN(C)CC3C2(F)F)c1C1(C)CC1,RNSQRIWAVHFUIK-UHFFFAOYSA-N
-rxn:2:66901:148296,CS(=O)(=O)c1ccc(C2CCC(N[C@@H](CC3CC3)c3ccc(S(C)(=O)=O)cc3)CC2)cc1,FTDCIZZBPDGUMM-KRFYGZOHSA-N
-rxn:2:67078:120015,CCCC(C#CN1CCN(C)CC1)Nc1cccn(CCN2CCC(OC)C2)c1=O,IZDUBZWTONRQDT-UHFFFAOYSA-N
-rxn:2:67237:143973,O=S1(=O)CCC(n2cc(CNC3CCN(C4=NS(=O)(=O)c5ccccc54)CC3)cn2)CC1,UYIHPWYPUNPITO-UHFFFAOYSA-N
-rxn:2:67680:114048,CC1CC1c1ccc(C2CC2NC2CCC(COS(C)(=O)=O)CC2)o1,SRYRAISXTFRNQA-UHFFFAOYSA-N
-rxn:2:68151:81447,CS(=O)(=O)c1cccc(C2(CNC3CC4CCC(C3)N4C3CCCC3)CC2)c1,PTBGRJDHDSDCNE-UHFFFAOYSA-N
-rxn:2:68250:126600,Cc1ccc(C(C)NCC2CCN(C3COC3)CC2)c(OS(=O)(=O)F)c1,ACQBZGZKHLRVBP-UHFFFAOYSA-N
-rxn:2:68577:131663,Cc1cccc(C(CCS(C)(=O)=O)NCCCN2CCC(N3CCCC3)CC2)c1,LITCVAJKKIGGET-UHFFFAOYSA-N
-rxn:2:68813:165376,CCCC(NCC(N(C)OC)C12CC3CC(CC(C3)C1)C2)c1ccc(-c2n[nH]c3ncccc23)cc1,QSLYERPYXKCGHG-UHFFFAOYSA-N
-rxn:2:69175:153335,CCS(=O)(=O)c1ccc(C(NCC2C3CC(C3)N2C2CCC2)C2CCCC2)cc1,OKHZXQGZJXQBHC-UHFFFAOYSA-N
-rxn:2:69369:115972,CC1(C)[C@@H]2CC[C@]1(CS(=O)(=O)F)C(NC1CCS(=N)(=O)C1)C2,IUGSGDOPPVGKIE-IVEIWWGESA-N
-rxn:2:69566:83584,CC(NCC1(N(C)C)CN2CCC1CC2)c1cnccc1OCCN1CCCCC1,MGWIAKVETKAVFR-UHFFFAOYSA-N
-rxn:2:69924:150092,CCOC1CN(c2ncccc2NC(C)c2cnc(-c3ccc(OC4CCOCC4)nc3)cn2)CC1OC,FXQGXNXNLGIWNN-UHFFFAOYSA-N
-rxn:2:69927:103277,CN1CCC2(C1)Oc1ccccc1C2CNC[C@H]1C[C@@H](CS(C)(=O)=O)C1,INEMFCCSSPDLQS-KLHFOMLHSA-N
-rxn:2:69927:106138,CN1CCC2(C1)Oc1ccccc1C2CNCCC1(CS(C)(=O)=O)CC1,OQAWONFIPOJRSE-UHFFFAOYSA-N
-rxn:2:69927:113987,CN1CCC2(C1)Oc1ccccc1C2CNCC1(CS(C)(=O)=O)CCOCC1,UFPLLKGXBNSBSD-UHFFFAOYSA-N
-rxn:2:69927:123344,CN1CCC2(C1)Oc1ccccc1C2CNC[C@H]1C[C@H](CS(C)(=O)=O)C1,INEMFCCSSPDLQS-UIIRWUSXSA-N
-rxn:2:69927:83902,CN1CCC2(C1)Oc1ccccc1C2CNCC1(CS(C)(=O)=O)CCC1,FBDBRTIACOZNBD-UHFFFAOYSA-N
-rxn:2:69927:86354,CN1CCC2(C1)Oc1ccccc1C2CNC[C@H]1CC[C@H](CS(C)(=O)=O)CC1,SULYCVDMTIYFLF-AMJWBLJWSA-N
-rxn:2:70683:159916,COCc1cc(OS(=O)(=O)F)ccc1NC(c1ccc(OC)cc1)C12CN3CN(CN(C3)C1)C2,GMEBEBLYFXESGZ-UHFFFAOYSA-N
-rxn:2:70685:77578,O=S(=O)(F)C1CC(NCCn2cnc(C3C4CC5CC(C4)CC3C5)c2)C1,YWXLUNBITWSQBH-UHFFFAOYSA-N
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-rxn:2:71219:79099,CC(C)OCCC(Nc1ccc(C2CCN(C3CC3)CC2)cc1)C1CC1,QSABQQRULSKCNN-UHFFFAOYSA-N
-rxn:2:71385:81090,CC(NC1CCN(C)CC1C(C)C)c1ccc(N2CCN(C)CC2)s1,XAYXNOJCPKIODR-UHFFFAOYSA-N
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-rxn:2:71443:148621,CCC(NCC1(C2c3ccc(OC)cc3CCN2C)CC1)c1ccc(-c2cnn(C3CCOCC3)c2)s1,ISLJDNALGHETFE-UHFFFAOYSA-N
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-rxn:2:71988:73038,CCC(Nc1cccnc1OCC1CCN(C)CC1)c1cnc(N2CCN(CC)CC2)cc1C,HKXZOVWGAHSBBJ-UHFFFAOYSA-N
-rxn:2:72381:115621,CC(CCS(=O)(=O)c1ccccc1)NC1C2CN3CCN(C2)CC1(C1CCCC1)C3,YOASABVOLCZFQT-UHFFFAOYSA-N
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-rxn:2:73437:88564,CC12COC3(S(=O)(=O)[O-])C1CCC2(C)C3NCC1(F)CN2CCC1CC2,IHKRKPSMQQJMFC-UHFFFAOYSA-M
-rxn:2:73584:79800,C[C@@H]1CC(NCCS(=O)(=O)N=S(C)(C)=O)CCN1[C@H](C)c1ccccc1,HFHAHYRPJNZFMA-JNIOUFIGSA-N
-rxn:2:73760:79166,COCC1CN(c2ncccc2NC(C)c2ccc(OC)c(OC(C)=O)c2OC)CC1(C)C,ZYZUDQYUCKRZEV-UHFFFAOYSA-N
-rxn:2:74203:139138,CC1(C)C2CCC1(CS(=O)(=O)[O-])C(NCC13C4C5C6C4C1C6C53)C2,LVOHDOWOUKYNGS-UHFFFAOYSA-M
-rxn:2:74203:84015,CC1(C)C2CC[C@]1(CS(=O)(=O)[O-])C(NCC13C4C5C6C4C1C6C53)C2,LVOHDOWOUKYNGS-INMPLIHRSA-M
-rxn:2:74203:88564,CC12COC3(S(=O)(=O)[O-])C1CCC2(C)C3NCC12C3C4C5C3C1C5C42,NBJXIADOUOETOT-UHFFFAOYSA-M
-rxn:2:74747:125145,CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)[O-])C(NC(=[Se])C1CC1)C2,HQGXFQQSKSYXFY-VBCZDQSUSA-M
-rxn:2:74747:141998,CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)[O-])C(NCC#CC1C3CC4CC(C3)CC1C4)C2,NHOWNSHOMADCMJ-KMVGQPJPSA-M
-rxn:2:74870:136378,CC1CC(c2ccncc2)CN1CCNC1CCN(CCOS(C)(=O)=O)CC1,IZAHCJYCKWDGNP-UHFFFAOYSA-N
-rxn:2:75114:140202,CC(NCC1C2C3CC4C5CC(C42)C1C53)c1ccc(OS(C)(=O)=O)cc1,STFZAIGBNHSDKJ-UHFFFAOYSA-N
-rxn:2:75785:87384,CN(C1CC(NC2CC[C@@H]3CCC[C@H]23)C12CCC2)C(C)(C)C,VOJPNNJJJWTIAW-WIQAAEJOSA-N
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-rxn:2:76442:113312,CCN1CCC(N(C)CCC(C)NCC(F)(F)CN2CCN3CCC2C3)CC1,ROEDVSWTSOVDJH-UHFFFAOYSA-N
-rxn:2:76792:79396,CC(C)C1CC(C(NC2CC3(CCN(C)CC3)OC2C)c2ccnn2C)C1,FPEUCUKSFYLRTP-UHFFFAOYSA-N
-rxn:2:77052:112215,CCC(C(Nc1cnccc1OC1CCN(CC)CC1)c1ccc2c(c1)CCC2)N1CCCC1,UNJZUFLUDSKQQE-UHFFFAOYSA-N
-rxn:2:77183:149426,CCC1(Oc2nccnc2NC(C)SCCC#Cc2ccc(C(=O)C3CC3)cc2)COC1,XYWMCLMDDLOTOH-UHFFFAOYSA-N
-rxn:2:77183:162925,CCC1(Oc2nccnc2NC(CCN2CCC(C)CC2)c2cc(C)c(C)cc2OC)COC1,NXESTGIGCVPKHB-UHFFFAOYSA-N
-rxn:2:77349:122080,CC(CCS(=O)(=O)F)NOC[C@@H]1[C@@H]2CCC#CCC[C@@H]21,OHCKXKXNGAXTCL-FOWJLOOVSA-N
-rxn:2:77349:140699,CCCC(CS(=O)(=O)F)NOC[C@@H]1[C@@H]2CCC#CCC[C@@H]21,FHWZNCAJVJAQLM-KWODUOEOSA-N
-rxn:2:77578:125295,O=S(=O)(F)CC1CC(NCCn2cnc(C3C4CC5CC(C4)CC3C5)c2)C1,YSNPNEGOBCPSCQ-UHFFFAOYSA-N
-rxn:2:77649:108635,CC(Nc1cccnc1OCC1CCN(C)C1)c1sc(CCN2CCCCC2C)nc1C1CC1,IUDYJGPCKCZLNN-UHFFFAOYSA-N
-rxn:2:79124:105542,CCS(=O)(=O)c1ccc(C(C)NCC2(S(=O)(=O)C3CCCC3)COC2)s1,UTSCQIWINMVVSW-UHFFFAOYSA-N
-rxn:2:79124:165217,CS(=O)(=O)n1cc(-c2cccc3c2C(NCC2(S(=O)(=O)C4CCCC4)COC2)CO3)cn1,XZFDZYPOZBQCBJ-UHFFFAOYSA-N
-rxn:2:79139:105166,CCC(C)(CNC1CCC2(CC2)c2ccccc21)OC1CCC(C)CC1,CCCKKVFHYCDMRV-UHFFFAOYSA-N
-rxn:2:79302:161479,CC(CCC1(c2ccc3[nH]c(=O)[nH]c3c2)COC1)NCC(c1cn(C)cn1)N1CCN(C)CC1,XGOIBGGOIJBYMW-UHFFFAOYSA-N
-rxn:2:79565:130197,CCC(Nc1ccc(OCC2CC2)cc1N1CCCCC1)c1ccc(N2CCN(C)CC2)nc1C,GDMNPGDFQSZMEM-UHFFFAOYSA-N
-rxn:2:79652:74747,COc1ccc(CN2CC3C(C2)C3NC2C[C@H]3CC[C@]2(CS(=O)(=O)[O-])C3(C)C)cc1,JPKGPTQAPCEJKY-DBFFZDESSA-M
-rxn:2:79800:103149,CN1[C@@H]2CC[C@H]1CC(NCCS(=O)(=O)N=S(C)(C)=O)C2,HJFCVKKYZKAVMQ-YOGCLGLASA-N
-rxn:2:79800:91877,CN1[C@@H]2COC[C@H]1CC(NCCS(=O)(=O)N=S(C)(C)=O)C2,KZMAOCNTPOFWKT-YOGCLGLASA-N
-rxn:2:79968:128208,CC(C)(C)c1ccc(CN2CCC(NC(c3ccc(C(C)(C)C)cc3)C3CC3)CC2)cc1,SINJSOODCMTAIS-UHFFFAOYSA-N
-rxn:2:79968:67505,CC(C)C1CCCC(NC2CCN(Cc3ccc(C(C)(C)C)cc3)CC2)CC1,AMHFRQVBCJKLKW-UHFFFAOYSA-N
-rxn:2:81015:134250,CCC(Nc1c(C)nc(N2CCC(OC)CC2)nc1C)c1ccc(N2CC[C@H](F)C2)cc1,IKQJVIABCBETRX-AJZOCDQUSA-N
-rxn:2:81447:91332,CS(=O)(=O)c1cccc(C2(CNC3CC4CCC3CN4C3CCCC3)CC2)c1,WIGBKKFXPJPQSJ-UHFFFAOYSA-N
-rxn:2:82094:153416,CC(CN(C)Cc1ccc2[nH]c(=O)[nH]c2c1)NC(c1cccc(CN2CCN(C)CC2)c1)C1CC1,IJGIFWAGYJWFJX-UHFFFAOYSA-N
-rxn:2:82250:105025,CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)F)C(NCC#CC1CC1)C2,NGZLAADQMKEEBJ-SFIRGFGWSA-N
-rxn:2:82250:121451,CCN(CCNC1C[C@@H]2CC[C@@]1(CS(=O)(=O)F)C2(C)C)C1CCSC1,KNJKBSUMFULSCG-USSHROBNSA-N
-rxn:2:82428:132855,CCC(NC1CCN(OC)CC1)C(c1cccc(C)c1)N1CCCCC1,FLYKBSINNFAEHK-UHFFFAOYSA-N
-rxn:2:82774:74747,CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)[O-])C(NC1CC3(CCC3)C1OCc1ccccc1)C2,QJDWJDNBXYGORV-GTDDGLTPSA-M
-rxn:2:82932:116257,CC(NCC(C)(N(C)C)C12CC3CC(CC(C3)C1)C2)SC1CC(=O)C1,MXOPCGRBINYZGY-UHFFFAOYSA-N
-rxn:2:83028:92135,CC1Cc2nc(N3CCSCC3)ncc2C(NC(C)CN2CCC(N(C)C)CC2)C1,ROIHRBMQGXZOKL-UHFFFAOYSA-N
-rxn:2:83881:136425,CCc1ccc(N2CCN(C)CC2)cc1NC(C)c1sc(N2CCN(C)CC2)nc1C,QJVBRNMUAUNOQM-UHFFFAOYSA-N
-rxn:2:83925:116958,CCn1cc(C(CN2CCOCC2)NCc2ccc(N3CCC(N(C)C)CC3)nc2)cn1,ZFKCRGACAGFLJB-UHFFFAOYSA-N
-rxn:2:84015:123990,CC1(C)C2CC[C@]1(CS(=O)(=O)[O-])C(NCCO[Si]13OCCN(CCO1)CCO3)C2,ONORHNKYBCNUKY-HTWSVDAQSA-M
-rxn:2:84015:125133,CN(Cc1ccco1)C1CCC(ONC2CC3CC[C@@]2(CS(=O)(=O)[O-])C3(C)C)CC1,OYGRTTDIXASGJK-KZHVMPHSSA-M
-rxn:2:84015:136177,CC1(C)C2CC[C@]1(CS(=O)(=O)[O-])C(NC1CC13C1CC4CC(C1)CC3C4)C2,CSOMTIPKAZRVTM-SOBUTDENSA-M
-rxn:2:84015:141998,CC1(C)C2CC[C@]1(CS(=O)(=O)[O-])C(NCC#CC1C3CC4CC(C3)CC1C4)C2,NHOWNSHOMADCMJ-WYTWMPHRSA-M
-rxn:2:84060:125434,CCOC1(CNC(c2ccncc2)C2CN3CCC2CC3)CCS(=O)(=O)C1,WNAIFHHLNJKXPQ-UHFFFAOYSA-N
-rxn:2:84594:110388,CN(C1CCC(NC(C2CCC2)C2(C)CC2)CC1)C(C)(C)C,GJCSAPZPSLYMJQ-UHFFFAOYSA-N
-rxn:2:84594:124409,CN(C1CCC(NCCN(C2CC2)C2CC2)CC1)C(C)(C)C,UDTIZJGRKWKXPP-UHFFFAOYSA-N
-rxn:2:84594:80601,CN(C1CCC(NC2CC3CCC3C2)CC1)C(C)(C)C,CZELLWHEAXSHBS-UHFFFAOYSA-N
-rxn:2:84594:95686,CN(C1CCC(NC2CCC2C2CC2)CC1)C(C)(C)C,CZVBHQRVPVHKNQ-UHFFFAOYSA-N
-rxn:2:84594:97617,CN(C1CCC(NC2(C3CC3)CCC2)CC1)C(C)(C)C,ZJHXLGVYHRTIOE-UHFFFAOYSA-N
-rxn:2:84628:90509,Cc1cc(C2CCN(C)CC2)nc(CCC(C)Nc2ccccc2OCCN2CCCC2)n1,PEUSQTQSSFQPNB-UHFFFAOYSA-N
-rxn:2:84946:114295,CS(=O)(=O)CC(CC1CCOCC1)NCc1ccc(OS(=O)(=O)F)cc1,PJAWIQAKLRMBEH-UHFFFAOYSA-N
-rxn:2:85601:79439,CCS(=O)(=O)c1ccc(CONC2CCC(CN(C)C(C)(C)C)CC2)cc1,ZAKJOCZPYHRCRG-UHFFFAOYSA-N
-rxn:2:85793:95397,CCc1ccc(N2CC(NC(CN3CCN(C)CC3)c3ccccc3OC)CC2(C)C)cc1,AFZWKCNJJMODJA-UHFFFAOYSA-N
-rxn:2:85828:115972,CC(CNC1C[C@H]2CC[C@@]1(CS(=O)(=O)F)C2(C)C)(C1CC1)C1C2CC3CC(C2)CC1C3,PALVJWNIKYLIOA-KTDMPCCASA-N
-rxn:2:86226:136378,CCc1ccc(S(=O)(=O)F)cc1NC1CCN(CCOS(C)(=O)=O)CC1,MHUHISIVJRUCJO-UHFFFAOYSA-N
-rxn:2:86300:147968,CCCCCC1(NC(CCCC)/N=c2\ncc3c([nH]2)CC(C)(C)CC3=O)Cc2ccccc2C1,DICALNYDWAEDLQ-UHFFFAOYSA-N
-rxn:2:86561:114048,CC1CC1c1ccc(C2CC2CNC2CCC(COS(C)(=O)=O)CC2)o1,GDPFOPBRVKPVQD-UHFFFAOYSA-N
-rxn:2:86561:139234,CC1CC1c1ccc(C2CC2CNC2CCC(OS(C)(=O)=O)CC2)o1,RQSFJEXJLIRBGF-UHFFFAOYSA-N
-rxn:2:86840:103107,CCCN1CCN(c2ccc(NC(CC)c3cnc(N4CCN(C)CC4)c(C)c3)cc2OC)CC1,PZBSUWXYYPDDPF-UHFFFAOYSA-N
-rxn:2:86840:90509,CCCN1CCN(c2ccc(NC(C)CCc3nc(C)cc(C4CCN(C)CC4)n3)cc2OC)CC1,DVLLZARUURYUAX-UHFFFAOYSA-N
-rxn:2:86889:132800,CC1CCC(C(C)C)C(Oc2ncc(NC(C)CCCN(C)C)cn2)C1,NDJXNLMEEPSFHI-UHFFFAOYSA-N
-rxn:2:87384:107686,CN(C1CC(NC2CC3CCC3C2)C12CCC2)C(C)(C)C,ZBYXVKBUDPMAHP-UHFFFAOYSA-N
-rxn:2:87384:113292,CN(C1CC(NC2CCC3CC3C2)C12CCC2)C(C)(C)C,MUTFHLSIWVDFPK-UHFFFAOYSA-N
-rxn:2:87384:123032,CN(C1CC(NC2CC[C@H]3C[C@@H]23)C12CCC2)C(C)(C)C,RAACYAMKAUHPMV-DKYXIQLCSA-N
-rxn:2:87906:157499,CO[C@H]1CCN(C2CCC(NC3c4cc(C)ccc4N=C4C3CCN4c3ccccc3)CC2)C1,LHHWMIZJZFZMOI-HWIPFSSBSA-N
-rxn:2:87986:114270,CCC(Nc1ccc(OCCN2CCCCC2)nc1)C1CCN(CC(C)C)CC1,CDVDVFRYQHVGCI-UHFFFAOYSA-N
-rxn:2:87986:73038,CCC(Nc1ccc(OCCN2CCCCC2)nc1)c1cnc(N2CCN(CC)CC2)cc1C,LCHHHZGRHHZDPH-UHFFFAOYSA-N
-rxn:2:88481:125434,CCOC1(CNC(c2ccsc2)C2CN3CCC2CC3)CCS(=O)(=O)C1,UINMXPIMMNEDPU-UHFFFAOYSA-N
-rxn:2:88564:100283,CC(CNC1C2(C)CCC3C2(C)COC31S(=O)(=O)[O-])N1C2CC3CC(C2)CC1C3,YELSICLVMIOVEV-UHFFFAOYSA-M
-rxn:2:88564:105935,CC(C)CC12CN3CCN(CC(C3)C1CNC1C3(C)CCC4C3(C)COC41S(=O)(=O)[O-])C2,PIUCVZVYNZPBNG-UHFFFAOYSA-M
-rxn:2:88564:105965,CC12COC3(S(=O)(=O)[O-])C1CCC2(C)C3NOCC1C2CC3CC(C2)CC1C3,JQPCDNDWRMTABA-UHFFFAOYSA-M
-rxn:2:88564:121887,CC12COC3(S(=O)(=O)[O-])C1CCC2(C)C3NCC1CC1c1ccsc1,CJFULPDIDQKCRI-UHFFFAOYSA-M
-rxn:2:88564:127320,CC12COC3(S(=O)(=O)[O-])C1CCC2(C)C3NCC1CC2CCC(C1)C2F,FJNDYVAMSBXCTM-UHFFFAOYSA-M
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-rxn:2:114173:166005,CC(C)c1ccnc(C2CCOCC2)c1NC1CCN(c2cccc(S(C)(=O)=O)c2)CC1,MFKJWDFYLHRBAD-UHFFFAOYSA-N
-rxn:2:114257:143818,CC1CCN(c2nc3c(cc2CNC(C)CC(c2ccc4[nH]c(=O)[nH]c4c2)N(C)C)CCC3)CC1,GPTRNPGYLSENCB-UHFFFAOYSA-N
-rxn:2:114727:96642,CCCC(NCCC1C(c2cccnc2OC)C1(F)F)C1CCN(C2CC2)CC1,KPXIEPMOFQCPSZ-UHFFFAOYSA-N
-rxn:2:114915:94523,COCc1nc(NC(CN2CCOCC2)c2cccc(OC)c2)nc(N2CCSCC2)n1,YJBOINOLUAJWIP-UHFFFAOYSA-N
-rxn:2:114951:142905,COC1CCOC2(CCCN(CCCNCC(c3ccc4[nH]c(=O)[nH]c4c3)N(C)C)C2)C1,HPKUKROMHKXAIH-UHFFFAOYSA-N
-rxn:2:114977:143818,CC(CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)NCc1cn(C2CCCCC2)nc1C1CCC1,IXPGIPOMCCRXKL-UHFFFAOYSA-N
-rxn:2:115547:117499,CCC[C@H]1CC[C@H](c2ccc(NC3CCC(C)(COC)CC3)cc2)CC1,RIOUSIHSVNSYPH-VEDCIHCFSA-N
-rxn:2:115547:138960,CCC[C@H]1CC[C@H](c2ccc(NC3CCN(C4(c5ccc(OC)cc5)CC4)CC3)cc2)CC1,RGKZXKJBQBRKBM-RQNOJGIXSA-N
-rxn:2:115633:127577,CCC(C)(CNC1CC2(C1)CC(c1ccccc1)C2)OC1CCCCC1,RCUOXGJCJHEFGC-UHFFFAOYSA-N
-rxn:2:115633:136251,CCC(C)(CNC1CCC12CC(c1ccccc1)C2)OC1CCCCC1,KXFGSUPRNKBPBS-UHFFFAOYSA-N
-rxn:2:116221:129655,CCCC(Nc1ccccc1C1CCC(CC)CC1)C1CCCN(Cc2ccccc2)C1,CUADZMQRCHSATM-UHFFFAOYSA-N
-rxn:2:116221:75731,CCC1CCC(c2ccccc2NC(CCN2CCN(C)CC2)c2ccccc2C)CC1,PXZUCFHGUNGSTK-UHFFFAOYSA-N
-rxn:2:116232:161940,CCCOc1ccccc1-c1cc(C(C)NC(C)(C)CC(F)(F)C2CCCC2)c(=O)[nH]n1,GQHHZQKMVKVCSK-UHFFFAOYSA-N
-rxn:2:116313:162583,CCON(C)C1CCC(NC(c2ccc(-c3cnn(S(C)(=O)=O)c3)cc2)C2CC2)CC1,CIUGPWMMUSOJAN-UHFFFAOYSA-N
-rxn:2:116534:136737,CCOCC1CCN(c2ccc(NC3CC4(CCC(C)(C)CC4)C3)cc2)CC1,WSRGPEJDJRFDCN-UHFFFAOYSA-N
-rxn:2:116555:107052,CCC(NCC1(c2ccc(OC)cn2)CCOCC1)c1ccc(N2CCCCCC2)cc1,DRYZNCFGSXNHSY-UHFFFAOYSA-N
-rxn:2:116555:109800,CCC(C(NCC1(c2ccc(OC)cn2)CCOCC1)c1ccccc1)N1CCCOCC1,RDUFITNAQSPYLW-UHFFFAOYSA-N
-rxn:2:118109:165677,CCCC(NCCCN1CC2CCCC(F)(F)C2C1)c1ccc(-c2cnc3c(c2)CCN3C)cc1,QSDNBYSLAGLTAS-UHFFFAOYSA-N
-rxn:2:118219:136378,CC(NC1CCN(CCOS(C)(=O)=O)CC1)c1ccc(C2COC2)cc1,KEUOEFSXQQKIRV-UHFFFAOYSA-N
-rxn:2:119178:138126,CCCN1CCC(C(CC)NCC(F)(F)CN2CCCSCC2)C1,UQWWHZWMGPUPDK-UHFFFAOYSA-N
-rxn:2:120131:171582,CCCC(C(NC1CCN(c2ncccc2OC)CC1)c1ccc2c(c1)CCCC2)N1CCCC1,GNPXJTLUXBEERU-UHFFFAOYSA-N
-rxn:2:120702:143544,CC(C)C1C(F)(F)C12CCC(Nc1ncnc3c1[nH]c(=O)n3CCN(C)C)CC2,OCUUHUKFSWHELZ-UHFFFAOYSA-N
-rxn:2:122573:160422,COc1ccc(N2CCCCC(CNC3CCN(c4ccc(S(C)(=O)=O)cc4)CC3)C2)cc1,JANYLJAQDGNUCO-UHFFFAOYSA-N
-rxn:2:123305:160214,CC1CCCN(C2(CNC(c3ccc4cn(C)nc4c3)C3CC3)CCN(C)CC2)C1,VDCWNCWHKRKSGY-UHFFFAOYSA-N
-rxn:2:123413:136378,CS(=O)(=O)OCCN1CCC(NCCC#Cc2ccc(S(=O)(=O)F)cc2)CC1,VXPGDOJRZDBEFG-UHFFFAOYSA-N
-rxn:2:123413:139234,CS(=O)(=O)OC1CCC(NCCC#Cc2ccc(S(=O)(=O)F)cc2)CC1,QKUOWIBSIXPVKE-UHFFFAOYSA-N
-rxn:2:123413:140659,O=S1(=O)CC2(CCC(NCCC#Cc3ccc(S(=O)(=O)F)cc3)CC2)C1,LHCPQGYBJSJBEA-UHFFFAOYSA-N
-rxn:2:123509:143818,CC(CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)NC1CCc2c(cnn2C2CCN(C)CC2)C1,UOMQJCLIESKPPO-UHFFFAOYSA-N
-rxn:2:124005:132367,COC(C1CC1)C(C)NC(c1ccc(C(C)(C)C)cc1C)C1CCCC1,LPIDWBZKMJDJRB-UHFFFAOYSA-N
-rxn:2:124267:151295,COc1nccc(-c2ccc3c(c2)C(NC(c2ccc4c(c2)OCCCO4)C2CCCC2)CCO3)c1OC,XYVYJVSCEUIYDA-UHFFFAOYSA-N
-rxn:2:124335:88564,CC1CCCC1(CNC1C2(C)CCC3C2(C)COC31S(=O)(=O)[O-])c1cccs1,DLIPWDVOMLGUQA-UHFFFAOYSA-M
-rxn:2:125286:154180,CN(C)C(C1CCC1)C1CCC(NC2COc3cc(-c4cnn(S(C)(=O)=O)c4)ccc32)CC1,MXPSAQVTWMVHRT-UHFFFAOYSA-N
-rxn:2:125295:124929,O=S(=O)(F)CC1CC(NCCc2cnc(C3C4CC5CC(C4)CC3C5)[nH]2)C1,PBPLRDSSGAETOL-UHFFFAOYSA-N
-rxn:2:125295:161135,O=c1[nH]nc(C2C3CC4CC(C3)CC2C4)cc1NC1CC(CS(=O)(=O)F)C1,BYGROEWHZFGLBS-UHFFFAOYSA-N
-rxn:2:125535:143818,CC(C)CC(NC(C)CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)c1ncc(C2CCCCC2)[nH]1,UCPPRBVHFBWZBY-UHFFFAOYSA-N
-rxn:2:125722:148300,CCc1ccc(N2CCC(OC)CC2)c(NC(c2ccc3c(c2)COCO3)c2ccc3c(c2)COCO3)c1,FRHMTOYAUBUTMQ-UHFFFAOYSA-N
-rxn:2:125722:166575,CCc1ccc(N2CCC(OC)CC2)c(NC2CC(c3ccco3)Cc3nc(N4CCOCC4)ncc32)c1,DMBUQYVGCKPNSP-UHFFFAOYSA-N
-rxn:2:125722:171778,CCc1ccc(N2CCC(OC)CC2)c(NC(C)CCc2ccc(-c3ccnn3C3CCCC3)cc2)c1,INQNMOHNJMNPMZ-UHFFFAOYSA-N
-rxn:2:125883:120331,CCCCCC(NCC1C(c2cnccc2OC)C1(F)F)C1=NCCCC1,UQVCEWREXVPPMI-UHFFFAOYSA-N
-rxn:2:126170:140524,CCCC(C(Nc1cc2c(cc1OC)OCCCO2)c1ccc2c(c1)CCC2)N1CCCC1,ZZUFRBMHWNCTMF-UHFFFAOYSA-N
-rxn:2:126188:152680,COC1CC(C)(C)CC(C)(CNC2CCCc3c2ccn3CCCn2ccnc2)C1,XROJZKQKAWLHLX-UHFFFAOYSA-N
-rxn:2:126412:125295,O=S(=O)(F)CC1CC(NCCCSC23CC4CC(CC(C4)C2)C3)C1,NVJSMXWJUCWPNY-UHFFFAOYSA-N
-rxn:2:126502:169230,CCC(NCCC1(c2ccccc2OC)CCCN(C)C1)c1cnc(N2CCCc3ccccc32)cc1C,BLQCXIXIBNDLBV-UHFFFAOYSA-N
-rxn:2:126812:173222,CCC(Nc1ccc(OCC2CN(C)CCN2C)cn1)c1ccc2[nH]c(C3CCCCC3)nc2c1,HYCNFTYRMLVJSN-UHFFFAOYSA-N
-rxn:2:127091:145413,CCC1CCC(Cc2ccccc2OC)(NC(C)c2cccc(-c3ccc(N4CCN(C)CC4)nc3)n2)CC1,RGNGZKGKMFKMOH-UHFFFAOYSA-N
-rxn:2:127319:125295,Cc1ccc(CNC2CC(CS(=O)(=O)F)C2)n1C1C2CC3CC(C2)CC1C3,VTCNGJDJMHQDSN-UHFFFAOYSA-N
-rxn:2:127952:129590,COCC1CC(C)C(CNCC2COc3ccccc3O2)(S(C)(=O)=O)C1,SNCAVIMHXOEMKP-UHFFFAOYSA-N
-rxn:2:128782:172083,CCC1CCC(CCOC)(NC(c2ccccc2)c2ccc(N3CCCCCC3)nc2C)CC1,NBJHQAHLKHLBNA-UHFFFAOYSA-N
-rxn:2:129767:169230,CCC(NCCOC1CCC(N(C)C)CC1)c1cnc(N2CCCc3ccccc32)cc1C,GZJGQYKXZUMTCO-UHFFFAOYSA-N
-rxn:2:130197:162872,CCC(NCCC(c1ccc2oc(=O)[nH]c2c1)C1CCC1)c1ccc(N2CCN(C)CC2)nc1C,MTQVJKWQFDLFGA-UHFFFAOYSA-N
-rxn:2:130769:172083,CCCO[C@H]1CC[C@H](NC(c2ccccc2)c2ccc(N3CCCCCC3)nc2C)CC1,UPSGHNSWHCTBMJ-MKAXWDIPSA-N
-rxn:2:131379:99222,CCCc1cnc(N(C)C2CCC(Nc3cc(=O)[nH]n3C(C)C3CC3(F)F)CC2)nc1,WYFVODJJFPESPD-UHFFFAOYSA-N
-rxn:2:132076:153933,CCc1ccc(N2CCC(C)(C)C(CNC3CCc4cc(-c5ccn(C6COC6)n5)c(OC)cc43)C2)cc1,HBPBGYQTTNKVBD-UHFFFAOYSA-N
-rxn:2:132135:147230,CCC1CCN(Cc2cc(NC(CC3CCCCC3)c3c[nH]c4ncccc34)ccc2OC)CC1,JJGOKSZMOZUDEW-UHFFFAOYSA-N
-rxn:2:132135:153933,CCC1CCN(Cc2cc(NC3CCc4cc(-c5ccn(C6COC6)n5)c(OC)cc43)ccc2OC)CC1,QHWPWSXJNPXDRV-UHFFFAOYSA-N
-rxn:2:132135:71364,CCC1CCN(Cc2cc(NC(CC)CN3CCN(c4ncccn4)CC3)ccc2OC)CC1,HTLTUZORNJCQSE-UHFFFAOYSA-N
-rxn:2:132456:71954,Cc1ccc2c(c1)C(NC(c1cccc(CN3CCN(C)CC3)c1)C1CCC1)CC(C)(C)CC2,ILVQLDQSVUCXFU-UHFFFAOYSA-N
-rxn:2:132456:75372,Cc1ccc2c(c1)C(NC(c1ccc(CN3CCN(C)CC3)cc1)C1CCC1)CC(C)(C)CC2,TVQPCEFPFPQFJU-UHFFFAOYSA-N
-rxn:2:132456:82094,Cc1ccc2c(c1)C(NC(c1cccc(CN3CCN(C)CC3)c1)C1CC1)CC(C)(C)CC2,JUTIPLAYQIPVOI-UHFFFAOYSA-N
-rxn:2:133032:172872,CN1CCC(CN(C)CC2CCC(NC(c3ccc4[nH]c(=O)[nH]c4c3)c3ncc[nH]3)CC2)CC1,HWCSLTQYDASFIT-UHFFFAOYSA-N
-rxn:2:133797:147764,CC(C)OCC1CCC(NCC(c2ccc3[nH]c(C4CC4)nc3c2)N(C)C)CC1,QDPHVEALTMPJGW-UHFFFAOYSA-N
-rxn:2:133959:101165,CCC[C@H]1CC[C@H](c2ccc(C(C)Nc3ncccc3OC(=O)C(CC)CC)cc2)CC1,LRYRLKYKANXRPR-DVXFSSKHSA-N
-rxn:2:134045:142888,CCCC(NC1CC2(CCC(F)(F)CC2)Oc2cc(OC)ccc21)c1nncn1C1CC1,NMUCSXFFTFKOQM-UHFFFAOYSA-N
-rxn:2:134045:149741,CCCC(NC1CC2(CCC(F)(F)CC2)Oc2ccc(OC)cc21)c1nncn1C1CC1,VGBDAOBMUVRNAC-UHFFFAOYSA-N
-rxn:2:134221:162872,CCC(NCCC(c1ccc2oc(=O)[nH]c2c1)C1CCC1)c1cnc(N2CCN(C)CC2)cc1C,DQSUIDSBAFAUQB-UHFFFAOYSA-N
-rxn:2:134241:147225,CCCC1CCN(c2[nH]c(C)nc2NC(C)c2cc(-c3ccnn3C3CCCC3)ccc2OC)CC1,DHHGOVXJEDUIFO-UHFFFAOYSA-N
-rxn:2:134241:147508,CCCC1CCN(c2[nH]c(C)nc2NC(C)c2ccc(OC)c(-c3cnn(C4CCCC4)c3)c2)CC1,QRMKRZNFDUNWHP-UHFFFAOYSA-N
-rxn:2:134332:93660,CC(C)(C)CCC(NCC1CCN(CC2CCC(F)(F)CC2)CC1)c1cscn1,CMSFWYHLGQIFNM-UHFFFAOYSA-N
-rxn:2:135565:143818,CC(CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)NCCC1CCN(c2ncc(C3CCC3)cn2)C1,GAPXSJIYRQDUDM-UHFFFAOYSA-N
-rxn:2:136378:130647,COc1ccc(C(F)(F)CNC2CCN(CCOS(C)(=O)=O)CC2)nc1,KDZSWKOEOCJAAX-UHFFFAOYSA-N
-rxn:2:136378:132818,CS(=O)(=O)OCCN1CCC(NCCc2ccc(S(=O)(=O)F)s2)CC1,IPWSTJDGYQJFPH-UHFFFAOYSA-N
-rxn:2:136378:134776,CS(=O)(=O)OCCN1CCC(NCC#Cc2ccccc2S(=O)(=O)F)CC1,GNVBWIAZYILKEY-UHFFFAOYSA-N
-rxn:2:136378:140505,C[C@@H]1[C@H](C)Oc2cccnc2[C@H]1CNC1CCN(CCOS(C)(=O)=O)CC1,ZSUQGHLBJXGBLT-VYDXJSESSA-N
-rxn:2:136378:151100,CN1CCN(c2ccc3cccc(NC4CCN(CCOS(C)(=O)=O)CC4)c3n2)CC1,PRGZRDSEZFPPJZ-UHFFFAOYSA-N
-rxn:2:136378:159289,CN1CCN(c2nccc3cc(NC4CCN(CCOS(C)(=O)=O)CC4)ccc23)CC1,QIAMGBQSNHCLNH-UHFFFAOYSA-N
-rxn:2:136465:82725,CCCCC(NCC1(N(C)CCC)CCc2ccccc2C1)c1ccc2c(c1)CCCC2,XEWZFSYEJQCNAO-UHFFFAOYSA-N
-rxn:2:137512:143818,CC(CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)NC1CCc2nc(N3CCN(C)CC3)ncc2C1,NAHSDNAKVPIHEB-UHFFFAOYSA-N
-rxn:2:137596:108629,CC(C)Oc1ccc2c(c1)C(NC1CCC13CCN(Cc1ccccc1)CC3)CC(C)(C)CC2,LUARTGZTJFRCTO-UHFFFAOYSA-N
-rxn:2:138126:135143,CCCCN1CCCC1C(CC)NCC(F)(F)CN1CCCSCC1,FXPYZTFEHRKART-UHFFFAOYSA-N
-rxn:2:139310:153662,CCc1ccc(C(NCC2CC(OS(C)(=O)=O)C2)C23CN4CN(CN(C4)C2)C3)cc1,PNTCWKATGWMONH-UHFFFAOYSA-N
-rxn:2:139406:153933,CCn1nccc1CN1CCC(CNC2CCc3cc(-c4ccn(C5COC5)n4)c(OC)cc32)CC1,HFCBAHOMADCUSE-UHFFFAOYSA-N
-rxn:2:140012:78304,COC1CCOC2(CCN(CCCNC(c3ccccn3)C3CCN(C)CC3)C2)C1,YZPKZROPAUZFTP-UHFFFAOYSA-N
-rxn:2:140389:143818,CC(CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)NCc1cn(C2CCCC2)nc1C1CCCC1,JYPFBSOWEDWJDR-UHFFFAOYSA-N
-rxn:2:140496:123810,CCC(NOC1CCN(c2cc(C)ccc2OC)CC1)c1cnc(N2CCOCC2)c(C)c1,XMUVIVCPBMSAEM-UHFFFAOYSA-N
-rxn:2:141321:74747,COC1CN(Cc2ccccc2)CCC1NC1C[C@H]2CC[C@]1(CS(=O)(=O)[O-])C2(C)C,MKXUWBMWLWQFMK-UWIYFVQDSA-M
-rxn:2:141608:143818,CC(CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)Nc1cn(C2CCCOC2)nc1C1CCCCC1,JFZAUSRWEFWKLL-UHFFFAOYSA-N
-rxn:2:141808:158748,CCCC1CCC(NC(C)CC(C)(C)c2c[nH]c3cccc(OC)c23)(c2ccccc2OC)CC1,BKVQOHJFLRLMAL-UHFFFAOYSA-N
-rxn:2:142062:115389,CCC(C(Nc1cccnc1OCC1CC(C)C1)c1ccc2c(c1)CCCC2)N1CCCC1,LIKWTRAUGBQSSU-UHFFFAOYSA-N
-rxn:2:142155:109961,CCCC(NC1CCN(Cc2ccc(OC)cc2)C1)C1CCCN(C2CCCC2)C1,WHULUEFPPBBAHB-UHFFFAOYSA-N
-rxn:2:142888:155563,CCc1nn2c(NC3CC4(CCC(F)(F)CC4)Oc4cc(OC)ccc43)cc(C3CC3)nc2c1C1CC1,PUWQCJOKFRUZOS-UHFFFAOYSA-N
-rxn:2:142888:159451,CCc1nc(-c2cnn(C)c2)c(NC2CC3(CCC(F)(F)CC3)Oc3cc(OC)ccc32)n1C1CC1,YRLSCFGVLZZBPT-UHFFFAOYSA-N
-rxn:2:143818:141980,CC1CCCN(c2nc3c(cc2CNC(C)CC(c2ccc4[nH]c(=O)[nH]c4c2)N(C)C)CCC3)C1,SQILCVZZUBAOQW-UHFFFAOYSA-N
-rxn:2:147858:110184,CCC(CC)c1cc(N2CCC(NCC3c4[nH]c5ccc(OC)cc5c4CCN3C)CC2)ncn1,POAXIRYRBPQMKF-UHFFFAOYSA-N
-rxn:2:149615:140582,CCC(Nc1cc(C2CCC2)nn1-c1ccncc1OC)C1CCN(C2CCC2)CC1,JWGPDWZPNGDNMB-UHFFFAOYSA-N
-rxn:2:149741:155563,CCc1nn2c(NC3CC4(CCC(F)(F)CC4)Oc4ccc(OC)cc43)cc(C3CC3)nc2c1C1CC1,IVDBMXZUJPXNME-UHFFFAOYSA-N
-rxn:2:149741:159451,CCc1nc(-c2cnn(C)c2)c(NC2CC3(CCC(F)(F)CC3)Oc3ccc(OC)cc32)n1C1CC1,GMSRFQGNDSMEHB-UHFFFAOYSA-N
-rxn:2:149741:161928,CCCc1cc(NC2CC3(CCC(F)(F)CC3)Oc3ccc(OC)cc32)n(-c2cnccc2C2CC2)n1,YNJMNWMLXROSCL-UHFFFAOYSA-N
-rxn:2:149741:163971,CCCc1cc(NC2CC3(CCC(F)(F)CC3)Oc3ccc(OC)cc32)n(-c2ccncc2C2CC2)n1,NQATWIWQTQAMJB-UHFFFAOYSA-N
-rxn:2:157731:149145,COc1cnc2[nH]cc(C3(NC(CCN4CCCCC4)c4ccc(OC)c5ccccc45)CCCCC3)c2n1,HGETVMDITFIJKA-UHFFFAOYSA-N
-rxn:2:157731:73038,CCC(NC1(c2c[nH]c3ncc(OC)nc23)CCCCC1)c1cnc(N2CCN(CC)CC2)cc1C,XPCZAGZFRCJCFH-UHFFFAOYSA-N
-rxn:2:157731:82688,CCc1cc(C(CC2=NCCO2)NC2(c3c[nH]c4ncc(OC)nc34)CCCCC2)ccc1OC,JIGYFMZVTWEQDJ-UHFFFAOYSA-N
-rxn:2:159024:85111,CCCC(NCCC#Cc1ccc2nc(OC)ccc2c1)C1CCCN(C2CC2)C1,NQMCHTGXDGAILL-UHFFFAOYSA-N
-rxn:2:163105:111336,CCS(=O)(=O)c1cc(NC(c2cccc(CN3CCCCC3)c2)C2CCCCC2)cn(C2CC2)c1=O,IGCZCBNMIDRGNU-UHFFFAOYSA-N
-rxn:2:163127:135263,CCCC(C(NC1CC2(CCC2)S(=O)(=O)c2ccccc21)c1ccccc1)N1CCCC1,ZYIMNEZGIDLDMQ-UHFFFAOYSA-N
-rxn:2:163327:129682,CCn1cc(-c2cnc(C3(NC(C)c4ccc(OC)c(OCC5CCCN5C)c4)CCCC3)[nH]2)cn1,ITEBRSJJDFPOSO-UHFFFAOYSA-N
-rxn:2:163327:131146,CCn1cc(-c2cnc(C3(NC(C)c4ccc(OCC5CCCN(C)C5)c(OC)c4)CCCC3)[nH]2)cn1,GLHCAZQZADFBGD-UHFFFAOYSA-N
-rxn:2:163327:149741,CCn1cc(-c2cnc(C3(NC4CC5(CCC(F)(F)CC5)Oc5ccc(OC)cc54)CCCC3)[nH]2)cn1,NYFQHLGCMDFMPJ-UHFFFAOYSA-N
-rxn:2:164865:99191,CCC(Nc1cc(-c2ccc(OC)cc2)nc(C2CC2)n1)C1CCN(C2CCCCC2)C1,VCSZBQUGXJIDTH-UHFFFAOYSA-N
-rxn:2:165554:105145,CCC(Nc1cnc2c(c1)oc(=O)n2C1CCN(C)CC1)c1ccc(N2CCC3(CC2)CC3)cc1,ULRKJOJXDBJALU-UHFFFAOYSA-N
-rxn:2:66038:171790,CCOc1ccc(-c2ccc(C3CCC(NC4CCC(OS(C)(=O)=O)CC4)CC3)cc2)cn1,LOYPONIJYAFGCX-UHFFFAOYSA-N
-rxn:2:66153:140255,CCS(=O)(=O)C1C2CCC1CC(CNCC1c3ccccc3OC13CCN(C)CC3)C2,OLPDWVAXEGKBOY-UHFFFAOYSA-N
-rxn:2:66420:105829,Cc1ccc(C(Nc2c(S(C)(=O)=O)cnn2C2CCCCC2)C2CCCCC2)c(C)c1,FNOQARZBDUXVFS-UHFFFAOYSA-N
-rxn:2:66420:109040,Cc1cccc(C(Nc2c(S(C)(=O)=O)cnn2C2CCCCC2)C2CCCCC2)c1C,OHRAJAYAPAAJDL-UHFFFAOYSA-N
-rxn:2:66427:91160,CN(C)CCN(C)C1CCC(Nc2c(C3CCC3)cnn2CC2CC2(F)F)CC1,HACZHTWCQJRTLE-UHFFFAOYSA-N
-rxn:2:66481:95388,COC1CC2CC(NC(c3ccc(C(C)(C)C)cc3)C3COCCO3)C2C1,DJBRUCMUFBBONL-UHFFFAOYSA-N
-rxn:2:66678:109800,CCC(C(Nc1nccnc1OCCN1CCOCC1)c1ccccc1)N1CCCOCC1,NBDQFSGBQXBTJG-UHFFFAOYSA-N
-rxn:2:67044:113096,CCc1ccc2c(c1)C(NC1CCCN(Cc3ccc4c(c3)CCCO4)C1)C(OC)CO2,QGZQHCCIMAOALZ-UHFFFAOYSA-N
-rxn:2:67048:125321,CC(NCCCC1CCCCN(C2CCCC2)C1)c1ccnc(C(C)(C)F)c1,NSRXJAGQHBFSPX-UHFFFAOYSA-N
-rxn:2:67412:85828,CC(CNC1C[C@H]2CC[C@]1(CS(=O)(=O)F)C2(C)C)(C1CC1)C1C2CC3CC(C2)CC1C3,PALVJWNIKYLIOA-YHTYYUHWSA-N
-rxn:2:67418:87384,CN(C1CC(NC2CCC[C@H]3C[C@@H]23)C12CCC2)C(C)(C)C,NFFVTEINUYNGPK-KPLZDEIPSA-N
-rxn:2:67435:134681,CC1(C)Cc2[nH]c(C3CC3)nc2C(NC(c2ccccc2)C2(O[Si](C)(C)C)CCC2)C1,GUJBXNSSIJXJMD-UHFFFAOYSA-N
-rxn:2:67612:66790,CCc1ccc2c(c1)C(NC(c1ccc(CN3CCCC3)cc1)C1CCC1)CC(C)(C)C2,XLHKDPZQSRNXSD-UHFFFAOYSA-N
-rxn:2:67983:74137,CCC(NCCCN1CCCC(OC)C1)c1ccc(N2CCOCC2)nc1,QHZGJXJJQJJZNT-UHFFFAOYSA-N
-rxn:2:68132:95837,CC1(C)CCC(NC2CCCN(C(C)(C)C)CC2)C(c2ccccc2)C1,IKEIWKPMBGONSU-UHFFFAOYSA-N
-rxn:2:68142:98840,CC(C)COC1CCCc2ccccc2C1NC1CC2(C1)CC(C)(C)C2,JQQCVJAWMYOHMP-UHFFFAOYSA-N
-rxn:2:68267:155318,CCCc1cc(N2CCC(NC3(CCOC)CCC(F)(F)CC3)CC2)nc(-c2cccnc2)n1,WXFTUHPTRJXKFS-UHFFFAOYSA-N
-rxn:2:68624:158492,CC(CNC1CCN(c2cc(C3CCCC3)ncn2)CC1)C(c1ccc2oc(=O)[nH]c2c1)N(C)C,FIWBALLTOJTCBW-UHFFFAOYSA-N
-rxn:2:68654:164871,COC1CCC(N2CCC(NC3COc4cc(-c5ccc(S(C)(=O)=O)cc5)ccc43)CC2)CC1,YUIHCKCLPVNNFC-UHFFFAOYSA-N
-rxn:2:68654:172942,CCC(NC1CCN(C2CCC(OC)CC2)CC1)c1ccc(-c2ccc(C)cc2)cc1C,COLZUETUCYQSLC-UHFFFAOYSA-N
-rxn:2:69175:84594,CN(C1CCC(NCC2C3CC(C3)N2C2CCC2)CC1)C(C)(C)C,LTNMGHHVQFQWMJ-UHFFFAOYSA-N
-rxn:2:69566:105846,CN(C)C1(CNC2CC3CC2(C)C3)CN2CCC1CC2,RSBFASRQTUTFFC-UHFFFAOYSA-N
-rxn:2:69937:88564,CN1CCN(C(CCNC2C3(C)CCC4C3(C)COC42S(=O)(=O)[O-])c2cccs2)CC1,GAWCLMFDMMTXMY-UHFFFAOYSA-M
-rxn:2:70518:143818,CC(CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)NCc1cn(C2CCC2)nc1C1CCCCC1,UKVBOBSCOSHKJZ-UHFFFAOYSA-N
-rxn:2:70629:166561,CCC(Nc1oc2c(c1C1CCCC1)C(N(C)C)CCC2)c1ccc(N2CCc3ccccc32)nc1C,NFANCJKAVXXHDF-UHFFFAOYSA-N
-rxn:2:70683:136378,COCc1cc(OS(=O)(=O)F)ccc1NC1CCN(CCOS(C)(=O)=O)CC1,ACMPFIDUDUTLFL-UHFFFAOYSA-N
-rxn:2:71105:148822,Cc1nc(SC2CCCCC2)ccc1CNC(c1ccc(S(C)(=O)=O)cc1)C1CCCCC1,CLOKAYWTVDNHMA-UHFFFAOYSA-N
-rxn:2:71238:136378,CC1CCN(C(CNC2CCN(CCOS(C)(=O)=O)CC2)c2cccnc2)CC1,ZOTXVAHOWGTCBE-UHFFFAOYSA-N
-rxn:2:71394:101837,CCc1cc(C(NCC(F)(F)c2cnc(N3CCCC3)nc2)C2CCOCC2)ccc1OC,KSJRYHNNBDOYTF-UHFFFAOYSA-N
-rxn:2:71443:94440,CCC(NCC1(C2c3ccc(OC)cc3CCN2C)CC1)c1ccc(N2CCN(C)CC2)nc1,UBGZHRANCZSZRP-UHFFFAOYSA-N
-rxn:2:71596:85594,CC1(c2cc(NC3CC(C[Si](C)(C)C)C34CCCC4)[nH]n2)CC(F)(F)C1,MNNDRMYLIHLHOK-UHFFFAOYSA-N
-rxn:2:71645:79906,CCC(C(Nc1ccc(OC2CCN(CC)CC2)nc1)c1ccccc1)N1CCOCC1,NFAMRIMDCRAGNN-UHFFFAOYSA-N
-rxn:2:71908:95370,O=S(=O)(F)c1ccc(CCCNC2CCC(c3nccc(C4CCCCC4)n3)CC2)cc1,AVRKEFXEHRPJTE-UHFFFAOYSA-N
-rxn:2:71988:84899,CCC(C(C)C)n1ccc2c1CCCC2Nc1cccnc1OCC1CCN(C)CC1,NBRRGELNZYTYDI-UHFFFAOYSA-N
-rxn:2:72120:77510,CCC(Nc1[nH]nc2c1CN(CCCN(C)C)CC2)c1ccc(N2CC[C@@H](F)C2)cc1,IRWGYAIXIGFJBF-LCQOSCCDSA-N
-rxn:2:72687:76134,CCCCC(Nc1ccc(N2CCC(COC)CC2)nc1)C1CCOC(C)(C)C1,GNZUGAYKMULTHS-UHFFFAOYSA-N
-rxn:2:73038:157235,CCC(Nc1c2c(nc3c4c(ccc13)CCCC4)CCC2)c1cnc(N2CCN(CC)CC2)cc1C,IQLJDGISYYSCOV-UHFFFAOYSA-N
-rxn:2:73590:97172,CCCC(Nc1ccc(CCN2CCCC(C)C2)c(OC)c1)C1CCCN(c2cnccn2)C1,WJSSDEYPIXIECZ-UHFFFAOYSA-N
-rxn:2:74482:88564,CC1CCCN(C(C)(Cc2ccsc2)NC2C3(C)CCC4C3(C)COC42S(=O)(=O)[O-])C1,BWYCVRNRQZKOHP-UHFFFAOYSA-M
-rxn:2:74747:126931,CC12CC3CC(C1)C(C(C)(C)CNC1C[C@H]4CC[C@]1(CS(=O)(=O)[O-])C4(C)C)C(C3)C2,QTCNZSBDILWOMI-UBMVWFDYSA-M
-rxn:2:74967:126170,CCCC(C(NC1(c2ccc(OC)cn2)CCC(F)(F)CC1)c1ccc2c(c1)CCC2)N1CCCC1,IWZCLWBTACJUJH-UHFFFAOYSA-N
-rxn:2:74967:83490,CCCC(C(NC1(c2ccc(OC)cn2)CCC(F)(F)CC1)c1ccc2c(c1)CCO2)N1CCCC1,QGDXXYOVHXSDRF-UHFFFAOYSA-N
-rxn:2:75695:84594,CN(C1CCC(N[C@@H]2C[C@H]2C2CCC2)CC1)C(C)(C)C,PMRCINGVCKBIGC-SJJHQCBESA-N
-rxn:2:75815:109961,CCCC(NC1CCCN(Cc2ccc(OC)cc2)C1)C1CCCN(C2CCCC2)C1,CUDQLRFOOQKTGN-UHFFFAOYSA-N
-rxn:2:75831:143973,O=S1(=O)CCN(c2ccnc(CNC3CCN(C4=NS(=O)(=O)c5ccccc54)CC3)n2)CC1,WEXGDEYJJKLKTI-UHFFFAOYSA-N
-rxn:2:76294:74137,CCC(NC(COC)CN1CCOCC1)c1ccc(N2CCOCC2)nc1,OMZHGYLNOMJXIL-UHFFFAOYSA-N
-rxn:2:76532:142263,CCC(NCCCN1CCC2(CC1)CC(OC)CCO2)c1ccc(-c2cnc3[nH]ccc3c2)cc1,OYZHXGZHCWFCBL-UHFFFAOYSA-N
-rxn:2:76532:142573,COC1CCOC2(CCN(CCCNC(C)c3ccnc(-c4cnn(C)c4-c4ccccc4)c3)CC2)C1,QKRUEHWYGILILI-UHFFFAOYSA-N
-rxn:2:76532:153574,COC1CCOC2(CCN(CCCNC3COc4ccc(-c5cnc6ccc(C)cc6c5)cc43)CC2)C1,NEQIEVVQTNWRKV-UHFFFAOYSA-N
-rxn:2:76532:153815,COc1cccc2[nH]c(-c3cnc(C(C)NCCCN4CCC5(CC4)CC(OC)CCO5)cn3)cc12,KJEFQIRXSZVRPU-UHFFFAOYSA-N
-rxn:2:76532:158088,COc1cccc2cc(-c3cnc(C(C)NCCCN4CCC5(CC4)CC(OC)CCO5)cn3)[nH]c12,WJOLCOHZQZKPJG-UHFFFAOYSA-N
-rxn:2:76532:164913,COC1CCOC2(CCN(CCCNC3CCOc4ccc(-c5cccc6cn[nH]c56)cc43)CC2)C1,RZGVXCVHXYEWSY-UHFFFAOYSA-N
-rxn:2:76532:165376,CCCC(NCCCN1CCC2(CC1)CC(OC)CCO2)c1ccc(-c2n[nH]c3ncccc23)cc1,YUBQNRIULDTPJD-UHFFFAOYSA-N
-rxn:2:76532:97896,CCC(NCCCN1CCC2(CC1)CC(OC)CCO2)c1cccc2cc[nH]c12,WRKUXJDGJWSYSW-UHFFFAOYSA-N
-rxn:2:76569:119754,CCC1C(F)(F)C12CCC(Nc1ccc(N3CC(N(C)C)C3)nc1)CC2,WRLJFHZZZRWOGH-UHFFFAOYSA-N
-rxn:2:77052:115389,CCC(C(Nc1cnccc1OC1CCN(CC)CC1)c1ccc2c(c1)CCCC2)N1CCCC1,SDAJNVQYWYQJAU-UHFFFAOYSA-N
-rxn:2:77968:99520,CCC(C)CN(C)CC1CCCCCC1Nc1cc([C@@H]2C[C@@H]2F)[nH]n1,LYTAAEJVJMINMD-OSHDJIMYSA-N
-rxn:2:78137:126170,CCCC(C(Nc1cc(OC)ccc1N1CCOCC1)c1ccc2c(c1)CCC2)N1CCCC1,ILWHKTHBMBLIOH-UHFFFAOYSA-N
-rxn:2:78304:106525,CC(C)C1(CCCNC(c2ccccn2)C2CCN(C)CC2)CCCN(C)C1,OUVRSJMTQGTMHB-UHFFFAOYSA-N
-rxn:2:78551:111548,CC1(OCc2ccccc2)CC(F)(F)CCC1NCCc1c(C2CC2)n[nH]c1C1CC1,PUVTVWBBORGAHE-UHFFFAOYSA-N
-rxn:2:78598:88564,CC(NC1C2(C)CCC3C2(C)COC31S(=O)(=O)[O-])C1CC(C2C3CC4CC(C3)CC2C4)C1,NYOANQAWJPDCJW-UHFFFAOYSA-M
-rxn:2:78678:115389,CCC(C(Nc1c(OC)ccc2c1OCCO2)c1ccc2c(c1)CCCC2)N1CCCC1,BFNAQGWDCFHIOK-UHFFFAOYSA-N
-rxn:2:79136:167745,CS(=O)(=O)c1ccc(C(NC2CN(C34CC(C3)C4)C2)C23CC(C2)C3)cc1,AXVMRHXWVIYYJC-UHFFFAOYSA-N
-rxn:2:79244:98744,CCCC1(CN(C)C)CCC(NCC2C(c3nccn3C)C2(F)F)CC1,FAKWDMQDVMSLHO-UHFFFAOYSA-N
-rxn:2:79331:147466,COc1c(-c2ccn(C3COC3)n2)cccc1C(C)NCC1(CCN(C)C)CC(F)(F)C1,QMROAGYAOMEIIF-UHFFFAOYSA-N
-rxn:2:79439:83181,CN(CC1CCC(NC2CCCC(c3ccccc3)CC2)CC1)C(C)(C)C,UXJNGEVDDRYRCR-UHFFFAOYSA-N
-rxn:2:79484:143818,CC(CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)NCCCn1cnnc1C1CCC(F)(F)CC1,JAMZGPGURPTWAR-UHFFFAOYSA-N
-rxn:2:80312:157029,CCOC1CCCN(C2(CNC(c3ccc4c(c3)OCO4)c3c[nH]c4ccc(OC)cc34)CCOCC2)C1,AZWLIVQZENOWDF-UHFFFAOYSA-N
-rxn:2:80683:136378,Cc1cc(N2CCC(F)C2)ccc1NC1CCN(CCOS(C)(=O)=O)CC1,VQUOAJRFQMZBMN-UHFFFAOYSA-N
-rxn:2:81051:79675,CCCC(Nc1ccc(N2CCC(C)CC2)nc1OC)C1CCN(Cc2ccccc2)CC1,AKRJUQCPOMHPMG-UHFFFAOYSA-N
-rxn:2:81051:88273,CCC1CCCN(c2ccc(C(C)Nc3ccc(N4CCC(C)CC4)nc3OC)cc2)C1,PWPSJYNVPXJGNX-UHFFFAOYSA-N
-rxn:2:81370:106485,COc1ccc(OC)c(C(CC2=NCCO2)NC2(Cc3ccc4c(c3)OCO4)CCC2)c1,WREXYEBSOVOPHT-UHFFFAOYSA-N
-rxn:2:81447:124463,CS(=O)(=O)c1cccc(C2(CNC3CC4CCCC(C3)N4C3CC3)CC2)c1,KMWHCNGKUAQIRY-UHFFFAOYSA-N
-rxn:2:81627:129505,CCC(C(Nc1ncccc1CN1CCC(N(C)C)CC1)c1ccc(OC)cc1)N1CCCC1,VMKOFGFAOAMGGA-UHFFFAOYSA-N
-rxn:2:81627:155045,CCC(C(NCCC#Cc1ccc2[nH]c3c(c2c1)CCCC3)c1ccc(OC)cc1)N1CCCC1,TYVWIIGIDFGHRD-UHFFFAOYSA-N
-rxn:2:81735:134978,Cc1ccc(C(NC2CC(C(C3CCN(C)C3)N(C)C)C2)C2CC2)cn1,ZQEIVNVEEWVHES-UHFFFAOYSA-N
-rxn:2:82201:162769,CCC1CCN(C2(CNC(C)c3c[nH]c4ccc(-c5cnccc5OC)cc34)CCSCC2)CC1,YWICLMJZABYZOY-UHFFFAOYSA-N
-rxn:2:83355:78684,CCC(NCc1ccc(OC)c(CN2CCCC(C)C2)c1)C1CCN(c2cnccn2)CC1,TUQFYAXFFXSVBO-UHFFFAOYSA-N
-rxn:2:83385:110184,CCC(CC)c1cc(N2CCC(NC3CCN(CCc4ccccc4OC)C3)CC2)ncn1,VOMPHCOKXMVTTB-UHFFFAOYSA-N
-rxn:2:83900:91379,CCCCC1CC(C(Nc2ccccc2N2CCC(N(C)C)CC2)c2ccnn2C)C1,ZOEBFAHJWLWZCY-UHFFFAOYSA-N
-rxn:2:83925:137294,CCC(NCc1ccc(N2CCC(N(C)C)CC2)nc1)c1ccc(N2CCC(F)CC2)cc1,SPCQTRSJMARSNH-UHFFFAOYSA-N
-rxn:2:84004:121852,CCN(C)C1CCC(NCCC2C(c3c(C)n[nH]c3C)C2(F)F)CC1,RMBGAERUCBHUNT-UHFFFAOYSA-N
-rxn:2:84015:81297,CC(ONC1CC2CC[C@@]1(CS(=O)(=O)[O-])C2(C)C)C1C2CC3CC(C2)CC1C3,RLNVVQBRYJTFCC-CFSFVFRPSA-M
-rxn:2:84044:83490,CCCC(C(Nc1ccc(N2CCCC2)nc1OC)c1ccc2c(c1)CCO2)N1CCCC1,PKMXTCDEILEQEW-UHFFFAOYSA-N
-rxn:2:84594:113841,CN(C1CCC(NC(C2CCCCC2)C2CCC2)CC1)C(C)(C)C,FBDLEYQRCZZCBD-UHFFFAOYSA-N
-rxn:2:84594:128225,CN(C1CCC(NC2C[C@@H]3CC[C@H]3C2)CC1)C(C)(C)C,CZELLWHEAXSHBS-JPQBHMHHSA-N
-rxn:2:84594:137152,CN(C1CCC(NC2CCCC3C(F)C23)CC1)C(C)(C)C,WRIJNUAANYEVIK-UHFFFAOYSA-N
-rxn:2:84594:90940,CN(C1CCC(NC(C2CCCCC2)C2CC2)CC1)C(C)(C)C,SMPORRSNKPCALO-UHFFFAOYSA-N
-rxn:2:84722:125295,CC(C)(CCNC1CC(CS(=O)(=O)F)C1)OC12CC3CC(CC(C3)C1)C2,DVJOTKLDHVAWKU-UHFFFAOYSA-N
-rxn:2:85068:143818,CC(CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)Nc1cn(C2CCCC2)nc1CC1CCCC1,ORNNUBDXFOONED-UHFFFAOYSA-N
-rxn:2:85330:143818,CC(CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)Nc1cc(C2CCCC2)nn1C(C)C1CCC1,IHFAHEPZDABLLQ-UHFFFAOYSA-N
-rxn:2:85484:113096,CCc1ccc2c(c1)C(Nc1ccc3c(c1)CCC(N1CCOCC1)CC3)C(OC)CO2,FSAPRYKYBXVSSY-UHFFFAOYSA-N
-rxn:2:85594:125575,Cc1[nH]ncc1C1C(CCNC2CC(C[Si](C)(C)C)C23CCCC3)C1(F)F,IQIRTPMECHMNIK-UHFFFAOYSA-N
-rxn:2:85978:105548,CCCC1CCC2(CC1)CCC(NCC(C)(Cc1ccccc1)OC)CC2,WRYPRRMWAYXOKO-UHFFFAOYSA-N
-rxn:2:85978:128902,CCCC1CCC2(CC1)CCC(NC(c1ccccc1)C(C)(C)OC)CC2,IYOUJOWLJQSGSS-UHFFFAOYSA-N
-rxn:2:86635:142888,CCC(CC)Cc1cc(NC2CC3(CCC(F)(F)CC3)Oc3cc(OC)ccc32)n2nccc2n1,QHOJLEUOFGKXDB-UHFFFAOYSA-N
-rxn:2:86635:149741,CCC(CC)Cc1cc(NC2CC3(CCC(F)(F)CC3)Oc3ccc(OC)cc32)n2nccc2n1,HOJAQIQMHIHREM-UHFFFAOYSA-N
-rxn:2:86840:120156,CCCN1CCN(c2ccc(NC(C)CCc3ncc(C4CCOCC4)[nH]3)cc2OC)CC1,WGCFVHNMWJPOCN-UHFFFAOYSA-N
-rxn:2:86900:136378,CC(C)N1CCC(c2ccccc2)C(NC2CCN(CCOS(C)(=O)=O)CC2)C1,VJEHINHPYOJDJI-UHFFFAOYSA-N
-rxn:2:87137:125295,O=S(=O)(F)CC1CC(NCCc2cc(C3C4CC5CC(C4)CC3C5)[nH]n2)C1,QDVZSMOXPBXHFC-UHFFFAOYSA-N
-rxn:2:87162:84337,CC(C)c1ccc(C(CC2CCCC2)NCCC(C)(C)Oc2ccc3c(c2)CCC3)cc1,PNNPKQJTRDEBDH-UHFFFAOYSA-N
-rxn:2:87368:143818,CC(CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)NCc1cc(C2CCCC2)nn1C1CCCC1,XHAYSKPSSILGAV-UHFFFAOYSA-N
-rxn:2:87384:129328,CN(C1CC(NC2C[C@@H]3CC[C@H]3C2)C12CCC2)C(C)(C)C,ZBYXVKBUDPMAHP-JCAIJIATSA-N
-rxn:2:87482:142888,CCCN1CCC(n2cc(NC3CC4(CCC(F)(F)CC4)Oc4cc(OC)ccc43)nn2)CC1,RCOFXHHLXOCOMR-UHFFFAOYSA-N
-rxn:2:88173:161396,CCc1cc(NC2COc3ccc(-c4cnc(N5CCOCC5)nc4)cc32)c(OC)cc1N1CCC(C)CC1,WCWKBCYELMQLOC-UHFFFAOYSA-N
-rxn:2:88173:166817,CCc1cc(NC2CCN(C3Cc4cccc5cccc3c45)CC2)c(OC)cc1N1CCC(C)CC1,ZYUIQBLTFGFHNI-UHFFFAOYSA-N
-rxn:2:88336:81015,CCC(Nc1ccc2c(n1)N(C1CCN(C)CC1)CCO2)c1ccc(N2CC[C@H](F)C2)cc1,LQAJXUGHGIDNAG-AJZOCDQUSA-N
-rxn:2:88388:152904,CCCC(NOC1CCC(N(C)C2CCCC2)CC1)c1ccc(-c2cc3[nH]c(=O)[nH]c3cn2)cc1,GJPBRHFSABPXMQ-UHFFFAOYSA-N
-rxn:2:88564:102279,CC12COC3(S(=O)(=O)[O-])C1CCC2(C)C3NC1CC2CCCC(C1)C2F,VQQVVSYHLNKMIA-UHFFFAOYSA-M
-rxn:2:88564:104146,COC(CNC1C2(C)CCC3C2(C)COC31S(=O)(=O)[O-])CC1C2CC3CC(C2)CC1C3,UTFVVNJVVQOONH-UHFFFAOYSA-M
-rxn:2:88564:110652,CC12COC3(S(=O)(=O)[O-])C1CCC2(C)C3NC1CC2CCC(C1)C2F,DPHFKDKUQKRQAP-UHFFFAOYSA-M
-rxn:2:88564:120460,CC(NC1C2(C)CCC3C2(C)COC31S(=O)(=O)[O-])c1ccc(OC2COC2)nc1,YYKXJDSXVRRCGR-UHFFFAOYSA-M
-rxn:2:88564:123033,CN1CCN(C(CNC2C3(C)CCC4C3(C)COC42S(=O)(=O)[O-])c2cccs2)CC1,TWLHOBCCUTVXNM-UHFFFAOYSA-M
-rxn:2:88564:131267,CC12COC3(S(=O)(=O)[O-])C1CCC2(C)C3NOCC1(C23CC4CC(CC(C4)C2)C3)CC1,FEAJIQZEYYDAFS-UHFFFAOYSA-M
-rxn:2:88564:133649,CC12COC3(S(=O)(=O)[O-])C1CCC2(C)C3NOC1CCC(F)(F)C1,FPZYYJZDXVMXSO-UHFFFAOYSA-M
-rxn:2:88564:135267,CC1CN(C)CC(CNC2C3(C)CCC4C3(C)COC42S(=O)(=O)[O-])N(Cc2ccncc2)C1,DPSBOQJAYCOMKT-UHFFFAOYSA-M
-rxn:2:88564:80623,CC12COC3(S(=O)(=O)[O-])C1CCC2(C)C3NC1C2CCC1CC(F)C2,OOAJLHQVOJYDNP-UHFFFAOYSA-M
-rxn:2:88564:85627,CC12COC3(S(=O)(=O)[O-])C1CCC2(C)C3NCC1CC2C(C1)C2(F)F,VMAXCMAVDMLDEV-UHFFFAOYSA-M
-rxn:2:88564:85786,CC12COC3(S(=O)(=O)[O-])C1CCC2(C)C3NCC12C3C4C1C1C2C3C41F,ZDSUJPCRKVRXJA-UHFFFAOYSA-M
-rxn:2:89089:136378,CS(=O)(=O)OCCN1CCC(NCCC2CC2c2ccc(S(=O)(=O)F)cc2)CC1,CORJQPQLKFEEIO-UHFFFAOYSA-N
-rxn:2:89267:154155,COC1C(NC2COc3ccc(-c4cnn(S(C)(=O)=O)c4)cc32)COC12CCOCC2,MNAODKBEQFUCSH-UHFFFAOYSA-N
-rxn:2:89267:154180,COC1C(NC2COc3cc(-c4cnn(S(C)(=O)=O)c4)ccc32)COC12CCOCC2,RNFZQXQBXOKNNO-UHFFFAOYSA-N
-rxn:2:89267:165217,COC1C(NC2COc3cccc(-c4cnn(S(C)(=O)=O)c4)c32)COC12CCOCC2,KGMMCIKRGNXOBC-UHFFFAOYSA-N
-rxn:2:89267:172441,CCc1cccc(-c2ccc(C3CCC(NC4COC5(CCOCC5)C4OC)CC3)cc2)c1,JYSNLYVIXCAMSX-UHFFFAOYSA-N
-rxn:2:89752:157069,CCCC1(NC(C)c2ncc(-c3ccnc(OC4CC4)c3)cc2OC)CCC(F)(F)CC1,QQFFYDVZUILXSS-UHFFFAOYSA-N
-rxn:2:90023:117042,CCCC1CC2(C1)CC(NCC1(c3ccccc3)CC[Si](C)(C)CC1)C2,UZLPSLKJIDQGDF-UHFFFAOYSA-N
-rxn:2:90524:125295,O=S(=O)(F)CC1CC(NCCSC23CC4CC(CC(C4)C2)C3)C1,FHXFBVNTWXAYEP-UHFFFAOYSA-N
-rxn:2:90636:154947,CO[C@@H]1CCN(c2nccc(NC(CN3CCC(N(C)C)CC3)c3c[nH]c4ccccc34)n2)C[C@@H]1F,LEZMMUAUVAVNSR-DEWJTGPOSA-N
-rxn:2:90764:120312,COCC(ONC1C(C)(C)C(OC)C1(C)C)C1C2CC3CC(C2)CC1C3,NKXQMYRMLOLAJV-UHFFFAOYSA-N
-rxn:2:90876:145352,CCCC(NC1CCC(N(CC)OC)CC1)c1ccc(-c2ccn(C3COC3)n2)cc1,OTSRBPLBNXYREC-UHFFFAOYSA-N
-rxn:2:91162:116534,CN1[C@@H]2CC[C@H]1C[C@H](CNC1CC3(CCC(C)(C)CC3)C1)C2,VJANDBKJCRUCGE-XGWQRUHWSA-N
-rxn:2:91535:158253,CCC(Cc1ccnc(N2CCOCC2)n1)NC1CCCCC1Cc1c[nH]c2ccc(OC)cc12,MPIDTOVNPGXHAX-UHFFFAOYSA-N
-rxn:2:91790:118025,CCCO[C@H]1CC[C@@](C)(NC(CCCN2CCC(C)C2)c2ccccc2)CC1,MCRGJMLCLYUZNK-KDBVNHMWSA-N
-rxn:2:93288:136378,Cc1ccc(C2(NC3CCN(CCOS(C)(=O)=O)CC3)CC(F)C2)cc1,RJBMVYPXFLDUAC-UHFFFAOYSA-N
-rxn:2:93686:120702,CC(C)C1C(F)(F)C12CCC(Nc1cnccc1N1CCC(N(C)C)CC1)CC2,WYYNGOMIODUNTQ-UHFFFAOYSA-N
-rxn:2:95286:109800,CCC(C(NCC1(c2ncccc2OC)CCOCC1)c1ccccc1)N1CCCOCC1,BXPJUHGDKUEKNJ-UHFFFAOYSA-N
-rxn:2:95370:136378,CS(=O)(=O)OCCN1CCC(NCCCc2ccc(S(=O)(=O)F)cc2)CC1,GTACFJJXPKCINV-UHFFFAOYSA-N
-rxn:2:95576:143818,CC(CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)NCc1ccnc(N2CCN(C3CCC3)CC2)n1,ZXPLPMIVXUVQAK-UHFFFAOYSA-N
-rxn:2:95923:126170,CCCC(C(NC1CCN(Cc2ccc(OC)cc2)CC1)c1ccc2c(c1)CCC2)N1CCCC1,UEKHCOBRCKRIHO-UHFFFAOYSA-N
-rxn:2:97326:107906,COCC1(NC(c2ccccc2)C(F)N2CN(F)C=N2)CC(C[Si](C)(C)C)C1,OOSNQFLPYNOJJP-UHFFFAOYSA-N
-rxn:2:97326:127577,COCC1(NC2CC3(C2)CC(c2ccccc2)C3)CC(C[Si](C)(C)C)C1,GCXBNFWYGUDOFX-UHFFFAOYSA-N
-rxn:2:97326:158674,CCC(NC1(COC)CC(C[Si](C)(C)C)C1)c1ccc(-c2ccn(C3COC3)n2)cc1,ABFXYTQDZLNQGH-UHFFFAOYSA-N
-rxn:2:97486:135263,CCCC(C(NCC(F)(F)C1CCN(C)CC1)c1ccccc1)N1CCCC1,DKJZHGLTZHSMAG-UHFFFAOYSA-N
-rxn:2:98023:110182,CCC(Nc1cnc(OC2CCN(C)CC2)c(C)c1)C1(c2ccccc2)CCN(C)CC1,VXUHPERRWBPFOD-UHFFFAOYSA-N
-rxn:2:98278:114454,CCS(=O)(=O)C(CNCCc1ccc(S(=O)(=O)F)cc1)C1CCCCC1,SFVFMMQONXRGJX-UHFFFAOYSA-N
-rxn:2:98744:102322,CCCC1(CN(C)C)CCC(Nc2c(C3CC3)cnn2CC2CC2(F)F)CC1,LHEVMMAVLZRAHN-UHFFFAOYSA-N
-rxn:2:98744:107980,CCCC1(CN(C)C)CCC(Nc2c(C3CCC3)cnn2C(C)C2CC2(F)F)CC1,ZYUBVNDOPRYYIE-UHFFFAOYSA-N
-rxn:2:99044:106677,CCOCC1CN(c2ccc(NC3CCN(CC4CCCO4)CC3)cc2)CC1C,ZFXKLWVHAWDXKR-UHFFFAOYSA-N
-rxn:2:99521:160706,Cc1nc2cc(C(CCN3CCOCC3)NCC34CC(S(C)(=O)=O)(CO3)C4)ccc2[nH]1,LXEHRNLMZVDFHN-UHFFFAOYSA-N
-rxn:2:99751:143818,CC(CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)NCc1cn(C2CCCC2)nc1CC1CCC1,BIPMANXGZGBAIR-UHFFFAOYSA-N
-rxn:2:100600:134391,CN(C)C(c1ccc[nH]1)C1(NC2CCCc3c2cnn3COCC[Si](C)(C)C)CC1,KSUZTUSKHUMJPR-UHFFFAOYSA-N
-rxn:2:100605:149297,CCC(C)n1c(-c2ccccc2OC)ccc(C(C)NC2(c3ncc(C4CCN(C)CC4)[nH]3)CC2)c1=O,QMJZIYJPVQZKGT-UHFFFAOYSA-N
-rxn:2:100874:159916,COc1ccc(C(NCC2(OC)CS(=O)(=O)C2)C23CN4CN(CN(C4)C2)C3)cc1,GTQWYCZXBPEHMY-UHFFFAOYSA-N
-rxn:2:102762:80379,CC(C)N(CC1CC1)C1CCCCCC1NCc1ccc(S(=O)(=O)C2CC2)cn1,YQZVVWFMGHHMJJ-UHFFFAOYSA-N
-rxn:2:102762:85173,CC(C)CN(CC1CCCCCC1NCc1ccc(S(=O)(=O)C2CC2)cn1)C1CC1,FDQPYTGSPFBVIG-UHFFFAOYSA-N
-rxn:2:102866:122881,CC(Nc1cc(CC2CCC2)n(C(C)C(C)C)n1)c1ccccc1OCC1CCCN(C)C1,IEHJRXFNWCXMLB-UHFFFAOYSA-N
-rxn:2:102866:152317,CC(Nc1cc(CC2CCC2)n(C(C)C(C)C)n1)c1ccc(OCc2ccccc2)c2c1=CCC(=O)N=2,NMKOTSXEUGRJDJ-UHFFFAOYSA-N
-rxn:2:103203:169450,CCC(C)c1ccccc1-c1cnn(C2CCC(Nc3ccc(OC)c(C4CCN(C(C)C)C4)c3)CC2)c1,AGIVGOYEZIPXKG-UHFFFAOYSA-N
-rxn:2:104086:158260,CCn1nc(-c2ccc(C)cc2)cc(C(C)NCC2(C)CC(N(C)C)CC(C)(C)C2)c1=O,BDGJVUQGMZSTCV-UHFFFAOYSA-N
-rxn:2:104514:142099,CC1CC(C)(C)CC(NC(C)c2ccn(CCCN(C)C)c(=O)c2)(c2cnn(C)c2)C1,AIRUOXWDROQUFF-UHFFFAOYSA-N
-rxn:2:104957:81538,CN(C)CCCN1CCC(Nc2c(C3CCCC3)cnn2CC2CC2(F)F)CC1(C)C,ZCFJIMYRFPHCDD-UHFFFAOYSA-N
-rxn:2:105673:128520,COC1C(NC(c2ccc(C(C)(C)C)cc2)C2CCCN2C)CC12CCC2,ZVMJHRHLDZPPDJ-UHFFFAOYSA-N
-rxn:2:105775:141891,Cc1cc(C)cc([C@H](CC2CC2)NC(c2ccc(C)c(C(C)(C)C)c2)C2CCCCC2)c1,XNWMZTNEQPMQSC-UFXYQILXSA-N
-rxn:2:105790:114642,CCS(=O)(=O)OC[C@H]1CCC(NCC(C)(C2C3CC4CC(C3)CC2C4)N(C)C)C1,XHBRLYYUXBOKPU-ZVKOYPPWSA-N
-rxn:2:106010:154947,COc1cccc(C(CNC(CN2CCC(N(C)C)CC2)c2c[nH]c3ccccc23)N2CCOCC2)c1,BFGFPMOSDJCVKN-UHFFFAOYSA-N
-rxn:2:106047:148103,COc1ccc(-c2cnn(S(C)(=O)=O)c2)c(C(C)Nc2cnc(N3CCC(CN(C)C)CC3)c(C)c2)c1,ZDELSDCKEVZWJA-UHFFFAOYSA-N
-rxn:2:106047:155396,CC(=O)c1ccc(C2C(CSC(C)Nc3cnc(N4CCC(CN(C)C)CC4)c(C)c3)C2(F)F)nc1,OOXCHYVGEQUAKY-UHFFFAOYSA-N
-rxn:2:106047:84030,Cc1cc(NC(C)c2ccc(OCCC3CCCN3C)cc2)cnc1N1CCC(CN(C)C)CC1,FLLRKHYWRNHOFX-UHFFFAOYSA-N
-rxn:2:106238:138182,CCC(Nc1nc(CN2CCC(N(C)C)CC2)cs1)c1ccc(OCC(C)C)c(C)c1,ITNRXZRZKPSXLL-UHFFFAOYSA-N
-rxn:2:106665:122894,CCC(Cc1cnc(N2CCN(C)CC2)nc1)NC(c1cc(C)ccc1OC)C1CC1C,IUIYEOCHCJBBEU-UHFFFAOYSA-N
-rxn:2:106953:169090,Cc1cc(C(C)(C)C)cc(C)c1C(NC(C1CCCCC1)C1CCCCC1)c1ccccc1,HDVYQFCLNSLVSN-UHFFFAOYSA-N
-rxn:2:106953:170075,CC(NC(C1CCCCC1)C1CCCCC1)c1ccccc1-c1ccc(C(C)(C)C)cc1,BEQIYHMDPXIULW-UHFFFAOYSA-N
-rxn:2:106953:172050,Cc1cccc(C(NC(C2CCCCC2)C2CCCCC2)c2ccc(C(C)(C)C)cc2)c1,OVCCFZOHHIQDBK-UHFFFAOYSA-N
-rxn:2:106953:172550,Cc1ccccc1C(NC(C1CCCCC1)C1CCCCC1)c1cc(C(C)(C)C)ccc1C,YTLSNYRDPQOVLF-UHFFFAOYSA-N
-rxn:2:107356:117066,CC(NC1(CN(C)CC2CCOCC2)CC1)c1ccc(OS(=O)(=O)[O-])cc1,XRILKTKCABLIKB-UHFFFAOYSA-M
-rxn:2:107482:115996,CCC(C)N(CC)C1CCCCCC1NCc1csc(C2(S(=O)(=O)CC)CC2)n1,KEYFGMZRKRHFJR-UHFFFAOYSA-N
-rxn:2:107895:147968,CCCCC(/N=c1\ncc2c([nH]1)CC(C)(C)CC2=O)NC(C)CN(C)Cc1csc(C)n1,PYQHRIDOPPJFOA-UHFFFAOYSA-N
-rxn:2:107980:143818,CC(CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)Nc1c(C2CCC2)cnn1C(C)C1CC1(F)F,CCHYVYPBEQTXPF-UHFFFAOYSA-N
-rxn:2:108021:152610,CCC(O[Si](C)(C)C(C)(C)C)C1CCC(Nc2nccc(-c3c[nH]c4cc(OC)ccc34)n2)CO1,VIFZDXLAHQLSKZ-UHFFFAOYSA-N
-rxn:2:108469:147291,COCC1(C)CCN(c2ncccc2NC(CCN2CCN(C)CC2)c2ccc3c(c2)OCCO3)CC1,DHJIXOMWWSLXRK-UHFFFAOYSA-N
-rxn:2:108479:159484,CC(=O)c1ccccc1C1C(CSC(C)NCc2nccc(N3CCC(N(C)C)CC3)n2)C1(F)F,LZXOXYBOBWPJQO-UHFFFAOYSA-N
-rxn:2:108574:124732,CN(C)CCC(NC(C)(C)CCN1CCCCCC1)c1ccc(C2CCC2)cc1,GKLCBPBFLFWAGY-UHFFFAOYSA-N
-rxn:2:108912:172704,CC(NCC(C)(C)N(C)c1n[nH]c(=O)[nH]c1=O)c1cncc(C(F)(F)C(=N)SC2CCCC2)c1,XZYVMECGDZZCDA-UHFFFAOYSA-N
-rxn:2:108912:76539,CC(CCCN(C)C1CCCC1)NCC(C)(C)N(C)c1n[nH]c(=O)[nH]c1=O,IVTPRXKOZCYNEI-UHFFFAOYSA-N
-rxn:2:109467:151120,CN(C1CC1)C1(CNC2CC(n3[se]c4ccccc4c3=O)C2)CN2CCC1CC2,MJOQTYPMAXYKMC-UHFFFAOYSA-N
-rxn:2:109579:154269,CCCCC1CCC(c2cc(NC(C)c3ccc(-c4ccc(CN(C)C)cc4)c4c3OCO4)[nH]n2)CC1,HKNFQHBMANMHGY-UHFFFAOYSA-N
-rxn:2:110489:169455,CCc1ccc(OC)c(-c2cc(C(C)Nc3cncnc3OC3CCCC(N(C)C)C3)c(C(C)C)o2)c1,ATAMYTIFXPVSJL-UHFFFAOYSA-N
-rxn:2:110583:66006,CC(C)CSC(=N)C(F)(F)c1csc(C(C)Nc2cc(=O)[nH]c(N3CC(C)CC(C)C3)n2)c1,KHNKTGIFDJNVPF-UHFFFAOYSA-N
-rxn:2:110795:155396,CC(=O)c1ccc(C2C(CSC(C)NC(c3nncn3C3CCCCC3)C(C)(C)C)C2(F)F)nc1,GVABUZUHRRACSW-UHFFFAOYSA-N
-rxn:2:110971:168561,CN(C)CC(Cc1ccc2c(c1)OCO2)NC(C#CN1CCCCC1)c1ccc2[nH]c(=O)[nH]c2c1,XPWNQTOKAGTYFC-UHFFFAOYSA-N
-rxn:2:111538:154927,Cc1cc(C(N[C@H]2CC[C@H](OS(C)(=O)=O)CC2)c2ccccc2)cnc1N1CCN(C)CC1,GOSTVAJMTWMRGT-IHJHTLIFSA-N
-rxn:2:112775:91308,CCC(Nc1c(C2(C)CC2)c(C)nn1CCN(C)C)C1CCC(F)(F)CC1,BEMUCRSNQNIOLZ-UHFFFAOYSA-N
-rxn:2:113156:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3NCCN2CCC(N(C)C3CC3)CC2)cn1,JRUHSPNTNIJBRY-UHFFFAOYSA-N
-rxn:2:113378:153662,CCc1ccc(C(NOCC2CCN(C3CCS(=O)(=O)C3)CC2)C23CN4CN(CN(C4)C2)C3)cc1,HNMYIAPTKRXKEB-UHFFFAOYSA-N
-rxn:2:113699:143114,CCn1c(-c2cccs2)ccc(C(C)NCC2CN(C)CC(C)(C)CN2C(C)C)c1=O,UHXAWUHKYGFAGR-UHFFFAOYSA-N
-rxn:2:113756:103714,Cc1cc(C)cc(CCC(N[C@@H](c2ccc(C(C)(C)C)cc2)C2CCCC2)C2CCC2)c1,GFAORKPQOFVJRR-BDCODIICSA-N
-rxn:2:113756:105470,Cc1ccc(C)c(CCC(N[C@@H](c2ccc(C(C)(C)C)cc2)C2CCCC2)C2CCC2)c1,JWSUSWFSWADEHZ-BDCODIICSA-N
-rxn:2:113756:124156,COc1ccc(C)cc1C(CC1CCCC1)N[C@@H](c1ccc(C(C)(C)C)cc1)C1CCCC1,JRLSOFGMFNUFFO-FUJFQHJFSA-N
-rxn:2:113756:78866,COc1cccc(C(CC2CCCC2)N[C@@H](c2ccc(C(C)(C)C)cc2)C2CCCC2)c1,JGIJWXNPYFPIEG-YPJJGMIRSA-N
-rxn:2:114498:127438,CCC(CN1CCC(N(C)C)CC1)Nc1cc(OCC(C)C)ncc1C,DRHBYCHGMZJUGU-UHFFFAOYSA-N
-rxn:2:114498:160563,CCC(CN1CCC(N(C)C)CC1)Nc1ccc2c(c1)c(OCCC(C)C)nn2C,IJYHDBYMUQLUTG-UHFFFAOYSA-N
-rxn:2:114513:70424,CCC(NC1CCC(N(C)c2ccc3c(c2)OCO3)CC1)C1CCN(c2ccccc2OC)C1,CFSCQASBWUMTPO-UHFFFAOYSA-N
-rxn:2:114642:136308,CCS(=O)(=O)OC[C@H]1CCC(NCC2(c3ccco3)CS(=O)(=O)C2)C1,LQKXZLAXGZGJFW-LSLKUGRBSA-N
-rxn:2:116004:86819,CCc1ccc(-c2cnc(C(NC(CN3CCCC(C)C3)c3ccc(OC)c(C)c3C)C(C)C)[nH]2)s1,QWUCVSYWYQELLD-UHFFFAOYSA-N
-rxn:2:116232:143354,CCCOc1ncccc1-c1nc(C)c(C(C)NC(C)(C)CC(F)(F)C2CCCC2)s1,IMTANUNIIVWHDB-UHFFFAOYSA-N
-rxn:2:116244:142505,CC(=O)c1ccc(C2C(CCSC(C)Nc3nc(C)[nH]c3N(C)C3CCCCCC3)C2(F)F)nc1,IZBZNRXAGAHNLA-UHFFFAOYSA-N
-rxn:2:116687:147968,CCCCC(/N=c1\ncc2c([nH]1)CC(C)(C)CC2=O)NCc1cc(N(C)C(C)C)ccn1,JGQCWLIOCPDKBS-UHFFFAOYSA-N
-rxn:2:116884:133308,CCC(Nc1nn(C2CCN(C)CC2)c2c1C(C)CC2)c1ccc(OCC(C)C)cc1,YCNMYSSFIPILSE-UHFFFAOYSA-N
-rxn:2:117066:113987,CC(NCC1(CS(C)(=O)=O)CCOCC1)c1ccc(OS(=O)(=O)[O-])cc1,DFLPZWWLOXNVJC-UHFFFAOYSA-M
-rxn:2:117066:122252,CC(NC1CC(CN(C)CC2CCOCC2)C1)c1ccc(OS(=O)(=O)[O-])cc1,PKNIOUKZBVXJAN-UHFFFAOYSA-M
-rxn:2:117396:144936,COc1ccc(C(NCC2(F)CC(C)(C)CC(C)(C)C2)c2cnc(/N=C/N(C)C)s2)cc1,MJWWAABLVKCZCU-STBIYBPSSA-N
-rxn:2:117825:115389,CCOCC1CCCN(c2ncccc2NC(c2ccc3c(c2)CCCC3)C(CC)N2CCCC2)C1,JHDPDGLCENDIRJ-UHFFFAOYSA-N
-rxn:2:117825:125092,CCOCC1CCCN(c2ncccc2NC(C)CC(c2ccccn2)N2CCN(C)CC2)C1,OTPATJYPGMEYEP-UHFFFAOYSA-N
-rxn:2:118088:121503,CCN1CCC(N(C)c2ncc(NC(C)SCC3C(c4ccsc4C(C)=O)C3(F)F)cn2)CC1,YOAUMMCDWWZFRX-UHFFFAOYSA-N
-rxn:2:119530:104349,CCN1CCC(Oc2ccc(C(C)NCc3ccc(C)nc3N3CCC(N(C)C)CC3)cc2OC)CC1,CQVKFESFEBOMGA-UHFFFAOYSA-N
-rxn:2:119530:159441,CCOc1ncc(-c2cccc(OC)c2C(C)NCc2ccc(C)nc2N2CCC(N(C)C)CC2)cc1C,IACXFBGCBQDDKP-UHFFFAOYSA-N
-rxn:2:120698:151596,CC(CCCCn1c(=O)c2ncn(C)c2n(C)c1=O)NCC1CN(C)C(C)CN1c1ccccc1,MULASNFIIFHSRV-UHFFFAOYSA-N
-rxn:2:120795:104349,CCN1CCC(Oc2ccc(C(C)NCC3CN(Cc4ccncc4)CC(C)(C)N3C)cc2OC)CC1,WZMCHKQAJQLIEK-UHFFFAOYSA-N
-rxn:2:120901:142505,CC(=O)c1ccc(C2C(CCSC(C)Nc3[nH]c(C)nc3N(C)C3CCCC3)C2(F)F)nc1,CQIRFYROEMISKD-UHFFFAOYSA-N
-rxn:2:120904:104349,CCN1CCC(Oc2ccc(C(C)NCC(c3cccnc3)N3CCN(C)CC3C)cc2OC)CC1,SYLDXMJNMDEDBE-UHFFFAOYSA-N
-rxn:2:121002:147255,CCOc1ccc(-c2ncccc2C(C)NCC2CC(N(C)C)CC(C)(C)C2)c(OC)c1,RDRHIPUYKKFEED-UHFFFAOYSA-N
-rxn:2:121002:161023,CCOc1ncc(-c2ccc(OC)c(C(C)NCC3CC(N(C)C)CC(C)(C)C3)c2)cc1C,VAIVLWAYMSYTFH-UHFFFAOYSA-N
-rxn:2:121224:82688,CCc1cc(C(CC2=NCCO2)NCc2ccnc(N(C)C3CCN(C)CC3)n2)ccc1OC,WRPQCRCJCIOEMY-UHFFFAOYSA-N
-rxn:2:121262:126600,Cc1ccc(C(C)NC2CCN(C3CCN(C)CC3)C(C)C2)c(OS(=O)(=O)F)c1,PSUKDOZGSADHEH-UHFFFAOYSA-N
-rxn:2:121710:167745,CN(C)CCN1CCCC(C)(NC(c2ccc(S(C)(=O)=O)cc2)C23CC(C2)C3)C1,LSTRSDAJCCEADW-UHFFFAOYSA-N
-rxn:2:122206:79439,CC1CN(Cc2ccccc2)CC(C)C1NC1CCC(CN(C)C(C)(C)C)CC1,PVIUVFHWCXILBC-UHFFFAOYSA-N
-rxn:2:122314:126600,CCSCCN1CCC(NC(C)c2ccc(C)cc2OS(=O)(=O)F)CC1,MVSKXCVLCXGHEH-UHFFFAOYSA-N
-rxn:2:122578:140181,CC(C)c1cccc(C(C)NC2CCC(C(N(C)C)C(C)(C)C)CC2)n1,QHXQFVHZOVFRJM-UHFFFAOYSA-N
-rxn:2:123036:154610,CCOc1nc(N2CCC(C)(C)CC2)ccc1NC(C)c1cccc(OC)c1OC(C)c1nccn1C,NCEWBCVRKLXBOJ-UHFFFAOYSA-N
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-rxn:2:123363:149807,CC(C)C(NC(C)(C)CC(F)(F)C1CCCN(C)C1)c1ccc(-c2nc3nc[nH]c3c(=O)[nH]2)cc1,GABAYHOKIXNVKF-UHFFFAOYSA-N
-rxn:2:123446:140181,CC(C)c1cc(C(C)NC2CCC(C(N(C)C)C(C)(C)C)CC2)ccn1,HPUZAGBJKFKFPX-UHFFFAOYSA-N
-rxn:2:123476:158492,CC(CNC1CCN(c2cc(C3CCOC3)ncn2)CC1)C(c1ccc2oc(=O)[nH]c2c1)N(C)C,KRUOIFCEAPXVDT-UHFFFAOYSA-N
-rxn:2:123619:132787,CCOc1ccc(C(C)NCC2CCCCN2C(C)c2cnccn2)cc1OC1CCN(C)CC1,CVTDRLMREZZYKX-UHFFFAOYSA-N
-rxn:2:124106:152258,CCC(Nc1c(OC)cnn1C1CCS(=O)(=O)CC1)c1cccc(-c2cnc(N3CCOCC3)nc2)c1,UJTUFLXHQFEGMM-UHFFFAOYSA-N
-rxn:2:124269:164209,CCN(C)C1(CNC(c2c[nH]c3ccc(OC)cc23)C2CC2)CCN(C2CC2)C1,USVLCAGWXGQHKB-UHFFFAOYSA-N
-rxn:2:124269:165263,CCN(C)C1(CNC2CCCc3c2[nH]c2ccc(-c4cccnc4OC)cc32)CCN(C2CC2)C1,STSJZFGUBWQURO-UHFFFAOYSA-N
-rxn:2:124278:141891,COc1ccccc1[C@H](NC(c1ccc(C)c(C(C)(C)C)c1)C1CCCCC1)C1CCCC1,JUUUEFUKBXNKEK-BDCODIICSA-N
-rxn:2:125295:133839,O=S(=O)(F)CC1CC(NCCc2ccn(S(=O)(=O)C3CCCC3)c2)C1,WCAXQLPVJMGGLP-UHFFFAOYSA-N
-rxn:2:126600:130791,Cc1ccc(C(C)NC2CCC(N3CCCC(CN(C)C)C3)C2)c(OS(=O)(=O)F)c1,NZJIPAAAPOMWLG-UHFFFAOYSA-N
-rxn:2:127231:141610,CC(CC(C1CCOCC1)N(C)C)NC(C)c1ccc(S(=O)(=O)[O-])cc1,BIKJCLFSLWQNNV-UHFFFAOYSA-M
-rxn:2:127693:170169,CCN1CCC(N(C)c2c[nH]nc2NC(c2ccc(-c3ccc(C)cc3OC)cc2)C(C)C2CC2)CC1,GYGLXZWDYKDCFF-UHFFFAOYSA-N
-rxn:2:127968:162640,CCC1(O[Si](C)(C)C(C)(C)C)CCC(Nc2cc(-c3ccc4c(c3)CCCC4)n[nH]c2=O)CC1,YTGWZVLUQFADNH-UHFFFAOYSA-N
-rxn:2:128748:145364,CCCOc1cc(N2CCN(C)CC2)ccc1NC(CN1CCCCC1)c1ccc2[nH]c(C3CC3)nc2c1,CBPZVIDZKDKJGE-UHFFFAOYSA-N
-rxn:2:129169:107710,CCN1CCC(N(C)c2ccc(NC(c3ccc(C4CC4)cc3)C3(C)CC3)cc2C)CC1,YAGSACMBSMAFKR-UHFFFAOYSA-N
-rxn:2:129260:168561,CC(C)C(CNC(C#CN1CCCCC1)c1ccc2[nH]c(=O)[nH]c2c1)C(C)N(C)C,KUIAGQBIQQBVEI-UHFFFAOYSA-N
-rxn:2:129505:155396,CC(=O)c1ccc(C2C(CSC(C)Nc3ncccc3CN3CCC(N(C)C)CC3)C2(F)F)nc1,BRSDULICFPBELI-UHFFFAOYSA-N
-rxn:2:129605:167100,CCc1nn(C2CCCCC2)c(NC(CN2CCC(C)CC2)c2ccc(OC)c3ccccc23)c1C1CC1,LUDLFTHNSHPJQN-UHFFFAOYSA-N
-rxn:2:130317:147968,CCCCC(/N=c1\ncc2c([nH]1)CC(C)(C)CC2=O)NCc1cccc(OCC2CC(F)(F)C2)n1,BSNXCQVDSGOFJX-UHFFFAOYSA-N
-rxn:2:131097:94533,CCN1CCN(CC(NCc2cccn(CC3CC(C)(C)C3)c2=O)c2ccn(C)c2)CC1,LEKFTUWDAMAVMT-UHFFFAOYSA-N
-rxn:2:132206:152573,CCc1nc2cc(C(CN3CC(C)CC(C)C3)Nc3cccnc3OC3CCN(C)CC3)ccc2[nH]1,UFDIZUQPOZJLFV-UHFFFAOYSA-N
-rxn:2:132207:152541,CC(CC(C)(C)n1[se]c2cccnc2c1=O)NC1CCN(C(C)CCN(C)C)CC1,ZNKPJTPHMFQRGW-UHFFFAOYSA-N
-rxn:2:132367:140006,CON(C)C1CCC(NC(c2ccc(C(C)(C)C)cc2C)C2CCCC2)CC1,CTUHLHLUPCPJGU-UHFFFAOYSA-N
-rxn:2:133772:108398,Cn1ccc(C(COCC2CCOCC2)Nc2ccc(N3CCN(CC(C)(C)C)CC3)cn2)c1,AVYVIJNHTQPWTL-UHFFFAOYSA-N
-rxn:2:134302:115389,CCOCC1CCN(c2ncccc2NC(c2ccc3c(c2)CCCC3)C(CC)N2CCCC2)C1,JHXNTMIEYKMBSW-UHFFFAOYSA-N
-rxn:2:134391:165405,CN(C)C(c1ccc2[nH]cnc2c1)C1(NC2CCCc3c2cnn3COCC[Si](C)(C)C)CC1,YTAZFJZZVMFRIY-UHFFFAOYSA-N
-rxn:2:134430:134492,CC(C)c1cccc(OCC(NC2CCN(C3CCN(c4ccccc4)CC3)CC2)C(C)(C)C)c1,FGKBQVMUQZJBQK-UHFFFAOYSA-N
-rxn:2:134930:168561,Cc1ccc(C(N(C)C)C2(CNC(C#CN3CCCCC3)c3ccc4[nH]c(=O)[nH]c4c3)COC2)cc1C,WRPPTYFZQNBGEP-UHFFFAOYSA-N
-rxn:2:135027:153654,CCN1CCC(N(C)c2ccc(C)cc2NC(c2ccccc2)n2nc(C)c3c2CC(C)(C)CC3=O)CC1,VTJBUAZIWXQIHU-UHFFFAOYSA-N
-rxn:2:135309:154594,CCS(=O)(=O)c1ccc(-c2ccc(C(C)NCC(C)(C3CC3)N3CCC(N(C)C)CC3)nc2)cn1,QZXFRAOXGAHBDV-UHFFFAOYSA-N
-rxn:2:135309:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3NCC(C)(C2CC2)N2CCC(N(C)C)CC2)cn1,XZAWDSSDHNUAID-UHFFFAOYSA-N
-rxn:2:135426:171582,CCCC(C(Nc1cnccc1OCC1CCCCC1)c1ccc2c(c1)CCCC2)N1CCCC1,DTACOCDLWIKEFH-UHFFFAOYSA-N
-rxn:2:135855:125465,CCCC(NCc1cccc(S(C)(=O)=O)c1)C1CCCN(CC2CC2)C1,BUIBKGBSSMNKGQ-UHFFFAOYSA-N
-rxn:2:135885:111336,CCC(NC(c1cccc(CN2CCCCC2)c1)C1CCCCC1)C(N(C)C1CCCCC1)C(C)(C)C,LIAXBZVONCRRAZ-UHFFFAOYSA-N
-rxn:2:135885:172824,CCC(NC(c1ccc(Oc2ccccc2)cc1C)C1CCCCC1)C(N(C)C1CCCCC1)C(C)(C)C,VXVLQFBUKUJYBF-UHFFFAOYSA-N
-rxn:2:135885:76393,CCC(NC(CN1CCCC(C)C1)c1cc(C)ccc1OC)C(N(C)C1CCCCC1)C(C)(C)C,XMCBUOJKQUMLCE-UHFFFAOYSA-N
-rxn:2:135885:96800,CCC(NC(c1cccc(CN2CCCC2)c1)C1CCCCC1)C(N(C)C1CCCCC1)C(C)(C)C,WKNFNZPXXDZLNA-UHFFFAOYSA-N
-rxn:2:137890:150440,CCN1CCN(c2cc(NC(Oc3cccnc3)c3oc4c(c3C)C(=O)CC(C)(C)C4)nc(C)n2)CC1,OPKXGFYFCVHAFZ-UHFFFAOYSA-N
-rxn:2:138182:143784,CCC(Nc1nc(CN2CCC(N(C)C)CC2)cs1)c1ccc2oc(=O)c(=O)n(OCC(C)C)c2c1,RQEXXRNOWMQOID-UHFFFAOYSA-N
-rxn:2:138868:81081,CC(NC(c1ccc(C2CC2)cc1)C1CCC1)C1CCCOc2ccc(C(C)(C)C)cc21,DBSKTCUSDAYRGA-UHFFFAOYSA-N
-rxn:2:139096:144237,CC(=O)c1cncc(C2C(CSC(C)Nc3[nH]nc4c3CN(CCN(C)C)CC4)C2(F)F)c1,LXNXDVSWXARIGV-UHFFFAOYSA-N
-rxn:2:139096:144270,CC(=O)c1cccc(C2C(CSC(C)Nc3[nH]nc4c3CN(CCN(C)C)CC4)C2(F)F)n1,CARRDOCDPVJRLO-UHFFFAOYSA-N
-rxn:2:139465:136378,CC(NC1CCN(CCOS(C)(=O)=O)CC1)c1ccccc1C12CCN(C)CC1C2,PHZGOZWCNOSUNZ-UHFFFAOYSA-N
-rxn:2:140181:144562,COc1cc(-c2ccc3c(c2)CC3)cnc1C(C)NC1CCC(C(N(C)C)C(C)(C)C)CC1,FWHOYSRYQSALKE-UHFFFAOYSA-N
-rxn:2:141015:89364,Cc1cc(C(C)(C)C)cc(C)c1C(NC(c1ccccc1)C1CCCCC1)C1CCCC1,QWUOFVXHWDKRPH-UHFFFAOYSA-N
-rxn:2:141372:147968,CCCCC(/N=c1\ncc2c([nH]1)CC(C)(C)CC2=O)NC1(c2ccc(OC)c(C(C)C)c2)COC1,HCBOWXNAXYMYDQ-UHFFFAOYSA-N
-rxn:2:141643:81538,Cc1cc(NC2CCN(CCCN(C)C)C(C)(C)C2)n(C2CCC(F)(F)CC2)n1,PTCJMFUJSLXKKE-UHFFFAOYSA-N
-rxn:2:142069:98451,CCC1CC(COc2ncccc2NC(C)Oc2cccc(OC)c2C(=O)C(C)(C)C)C1,DIEPYUWKQIFFKV-UHFFFAOYSA-N
-rxn:2:142381:140181,CC(C)c1ccc2c(c1)c1c(n2C)C(NC2CCC(C(N(C)C)C(C)(C)C)CC2)CC1,NIFSLOMPPMTXRF-UHFFFAOYSA-N
-rxn:2:142397:171582,CCCC(C(Nc1cc(C2CC2)nn1-c1cnccc1OC)c1ccc2c(c1)CCCC2)N1CCCC1,PWDYFSNKMOMQAD-UHFFFAOYSA-N
-rxn:2:145251:83842,Cc1ncc2nc(C3CCN(C)CC3)cc(NC(C)c3ccc(OCC4CCCN(C)C4)cc3)n12,GHNAYXJORPMEKO-UHFFFAOYSA-N
-rxn:2:149710:76048,CCC(Nc1cc2c(cc1N1CCCC1)n(C)c(=O)n2C)c1cnc(N2CCCCCC2)cc1C,XMSQBPVZVCYGJV-UHFFFAOYSA-N
-rxn:2:156468:126170,CCCC(C(Nc1ccc2[nH]/c(=N\C(=O)C(C)C)sc2c1)c1ccc2c(c1)CCC2)N1CCCC1,WTAWOUKIGFGRRD-UHFFFAOYSA-N
-rxn:2:161578:162110,Cc1[nH]c2ccccc2c1C(CN(C)C1CCCCC1)NCCC(C)(C)N(C)c1ccc2[nH]c(=O)[nH]c2c1,PEFFCLBUSYWYNR-UHFFFAOYSA-N
-rxn:2:161652:95397,COc1ccccc1C(CN1CCN(C)CC1)NCC(C)(C)N(C)Cc1ccc2oc(=O)[nH]c2c1,QZNXHPNEGRTGMH-UHFFFAOYSA-N
-rxn:2:163105:124732,CCS(=O)(=O)c1cc(NC(CCN(C)C)c2ccc(C3CCC3)cc2)cn(C2CC2)c1=O,CQVQYKQLXYNNME-UHFFFAOYSA-N
-rxn:2:163642:79439,CCC(C)n1nc(-c2ccccc2OC)cc1NC1CCC(CN(C)C(C)(C)C)CC1,WOXPPSOGXIPEBS-UHFFFAOYSA-N
-rxn:2:163823:132787,CCOc1ccc(C(C)NCC2CN(c3ccnc4[nH]ncc34)CCO2)cc1OC1CCN(C)CC1,PJDKOAOWYSZHML-UHFFFAOYSA-N
-rxn:2:165855:95397,COCC(C)(NC(CN1CCN(C)CC1)c1ccccc1OC)c1ccc2[nH]c(C3CC3)nc2c1,RIPLHRGTIIBJNC-UHFFFAOYSA-N
-rxn:2:166420:80298,Cc1occc1-c1cc(NC2CCc3c2nn(COCC[Si](C)(C)C)c3C)n(C2CCCCC2)n1,NWMBIWSYTFTUIT-UHFFFAOYSA-N
-rxn:2:167218:142505,CC(=O)c1ccc(C2C(CCSC(C)NC(c3ccc4[nH]c(=O)oc4c3)C3CCCN3C)C2(F)F)nc1,XQPCBFUCYACBPI-UHFFFAOYSA-N
-rxn:2:168466:112215,CCC(C(Nc1noc2cccc(OCC3CCCC3)c12)c1ccc2c(c1)CCC2)N1CCCC1,FGIFFOPGDSIHGT-UHFFFAOYSA-N
-rxn:2:66427:80298,Cc1c2c(nn1COCC[Si](C)(C)C)C(Nc1c(C3CCC3)cnn1CC1CC1(F)F)CC2,WVGTZTRBFRHQDB-UHFFFAOYSA-N
-rxn:2:66778:156343,CC(=O)c1ccc(C2C(CCSC(C)NC3(c4nc(C(C)C)nn4C)CCCCC3)C2(F)F)cn1,RYHPSDFKLDDDMA-UHFFFAOYSA-N
-rxn:2:66816:166901,CN1CCC(N2CCC(NC3COc4ccc(-c5ccc(S(C)(=O)=O)cc5)cc43)CC2)CC1,AETRCQPJMKTSNJ-UHFFFAOYSA-N
-rxn:2:68609:79246,CCCn1ccnc(N2CCC(Nc3ccc(N(C)C(C)C)nc3OC(C)C)CC2)c1=O,JFMIZYHCDFRPFU-UHFFFAOYSA-N
-rxn:2:69057:111114,CC1CCC(NC(C)c2c(C(C)C)cc(C(C)C)[nH]c2=O)C(CN(C)C(C)C)C1,KXAHAUXAHYRHPP-UHFFFAOYSA-N
-rxn:2:69057:129802,CC(C)c1cc(C(C)C)c(C(C)Nc2cncnc2OC2CCCCC2N(C)C)c(=O)[nH]1,AEQWIGDEMRSBCE-UHFFFAOYSA-N
-rxn:2:69356:109800,CCC(C(Nc1cccc2c1CCN(C(C)CCOC)C2)c1ccccc1)N1CCCOCC1,VHAVXAQHGHXAEZ-UHFFFAOYSA-N
-rxn:2:70006:168769,CC(CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)NCc1cn[nH]c1C1CCC(F)(F)CC1,KERYHNVZWXQDKC-UHFFFAOYSA-N
-rxn:2:70018:85634,CN1CCC(c2c[nH]c(C3CCC(NCc4cccc(CN=S(C)(C)=O)c4)CC3)n2)C1,DETMSUKUWNDCGM-UHFFFAOYSA-N
-rxn:2:70428:153230,CCOc1cccc(-c2cnn(C)c(=O)c2C(C)NCCC2CN(C)CC(C)(C)N2C)c1,MHYJPVLYLUNCKX-UHFFFAOYSA-N
-rxn:2:70472:157029,COc1ccc2[nH]cc(C(NC3CCN(C4CCN(C5CC5)C4)CC3)c3ccc4c(c3)OCO4)c2c1,VUNPUMIBEJRDJA-UHFFFAOYSA-N
-rxn:2:70694:126600,Cc1ccc(C(C)NCC(C2CCOCC2)N2CCN(C)CC2)c(OS(=O)(=O)F)c1,YKIDAJZNDNQTNY-UHFFFAOYSA-N
-rxn:2:71115:87384,CN(C)C1CCC(NC2CC(N(C)C(C)(C)C)C23CCC3)CC1,OIMVHAQWPOARFG-UHFFFAOYSA-N
-rxn:2:71394:158106,CCCCCC(NCC(F)(F)c1cnc(N2CCCC2)nc1)c1cn(C)c(=O)n(C)c1=O,ZDAGMRSGWBRABW-UHFFFAOYSA-N
-rxn:2:71558:126600,Cc1ccc(C(C)NCC2CN(C)CC(C)N2C2CCCC2)c(OS(=O)(=O)F)c1,NBQLQWRJLPDRSG-UHFFFAOYSA-N
-rxn:2:71637:137893,Cc1ccc(C(CN(C)C2CCCC2)NCC2(S(=O)(=O)C(C)C)CC2)s1,FKARYPURIUSGMG-UHFFFAOYSA-N
-rxn:2:71901:115389,CCOCC1CCCN1c1ncccc1NC(c1ccc2c(c1)CCCC2)C(CC)N1CCCC1,LDIHZXDUUVYEHZ-UHFFFAOYSA-N
-rxn:2:71988:123273,CC(C)OCCC(Nc1cccnc1OCC1CCN(C)CC1)C(C)C,IEJQUBQPZZCPND-UHFFFAOYSA-N
-rxn:2:71988:145364,CN1CCC(COc2ncccc2NC(CN2CCCCC2)c2ccc3[nH]c(C4CC4)nc3c2)CC1,QWMWYKCMJOEHCH-UHFFFAOYSA-N
-rxn:2:72361:145364,CCc1nn(C2CCCN(C)C2)c(NC(CN2CCCCC2)c2ccc3[nH]c(C4CC4)nc3c2)c1CC,XYRZADNLPAGPER-UHFFFAOYSA-N
-rxn:2:72361:168075,CCc1nn(C2CCCN(C)C2)c(NC(C)c2sc(-c3ccc(OCC4CC4)nc3)nc2C)c1CC,AAZIHZURCPUUFZ-UHFFFAOYSA-N
-rxn:2:72406:149407,Cc1ccc(C(N(C)C)C2(CNC(CC3=NCCO3)c3ccc4[nH]c(=O)[nH]c4c3)CCC2)cc1C,IQSXMGLMCTVBJW-UHFFFAOYSA-N
-rxn:2:72574:131379,CC1CCC(Nc2cc(=O)[nH]n2C(C)C2CC2(F)F)C(CN(C)Cc2nccn2C)C1,LWKZOZDFJKWBEJ-UHFFFAOYSA-N
-rxn:2:72574:159120,CC1CCC(NCc2cc3cnn(C(C)C(C)C)c3[nH]c2=O)C(CN(C)Cc2nccn2C)C1,LWQPMXJVSGBIBN-UHFFFAOYSA-N
-rxn:2:72574:75083,CC1CCC(Nc2ccc(C(C)C)n(C(C)C)c2=O)C(CN(C)Cc2nccn2C)C1,YQIJYVQSLNEVEO-UHFFFAOYSA-N
-rxn:2:73082:147483,Cc1ccc2c(C(C)Nc3ccc4c(c3)N(CCN(C)C)CCS4)c(N3CCCCC3)[nH]c2c1C,HTMGZFOVAVOWAJ-UHFFFAOYSA-N
-rxn:2:73172:86179,CCC(Cc1ccnc(C(C)C)n1)NC1CCC(N(C)c2ccc(OC)cc2OC)CC1,CWLHGFRIROWERL-UHFFFAOYSA-N
-rxn:2:73757:98788,CCC(CN(C)C1CCN(C)CC1)Nc1ccc2c(c1)CCN2C(C)C,XVEOMSIOLQKFCV-UHFFFAOYSA-N
-rxn:2:73760:165457,COCC1CN(c2ncccc2NC(c2cccc(OC)c2)c2ccccc2CN2CCCC2)CC1(C)C,XWACTLFEZVDDKT-UHFFFAOYSA-N
-rxn:2:73779:117066,CC(NCC1(N2CCC(N(C)C)CC2)CCN(C)C1)c1ccc(OS(=O)(=O)[O-])cc1,PQZIVVVUEVEXAY-UHFFFAOYSA-M
-rxn:2:74134:145815,CCC(NCC(C1CCOC1)N(C)C1CCCN(C)C1)c1ccc(-c2cnn(C)c2)cc1C,RSCMVOVPNXGFDA-UHFFFAOYSA-N
-rxn:2:74217:125295,CCC(CNC1CC(CS(=O)(=O)F)C1)(OC)C1CC1C,UWQGNJDYXQQNOF-UHFFFAOYSA-N
-rxn:2:74273:114498,CCC(CN1CCC(N(C)C)CC1)Nc1ccc(OCC(C)C)nc1C,SUTQQKAALFGVMR-UHFFFAOYSA-N
-rxn:2:74647:119754,CCC1C(F)(F)C12CCC(Nc1cncc(OC(C)CN(C)C)n1)CC2,SDJMGGCWCKKAFD-UHFFFAOYSA-N
-rxn:2:74845:144746,CC(CC(C)(C)Cc1nc2ccccc2c(=O)[nH]1)NC(C)(C)CCc1nccc(C2CCN(C)C2)n1,VDNJMXXUSUULRO-UHFFFAOYSA-N
-rxn:2:74888:126600,Cc1ccc(C(C)NCC(C2CCOC2)N2CCC(N(C)C)CC2)c(OS(=O)(=O)F)c1,UZCKRTRHXZZYIH-UHFFFAOYSA-N
-rxn:2:74888:149518,CC(NCC(C1CCOC1)N1CCC(N(C)C)CC1)c1ccc(N2CCS(=O)(=O)CC2)cc1,JBCXZAUCWWWJGU-UHFFFAOYSA-N
-rxn:2:74979:74749,CCC(Nc1ccnc(CN(C)C2CCN(C)C2)n1)C1CCN(c2ccc(OC)c(OC)c2)C1,YPKCPXARXCDDMD-UHFFFAOYSA-N
-rxn:2:75130:115389,CCOCC1CCN(c2ncccc2NC(c2ccc3c(c2)CCCC3)C(CC)N2CCCC2)CC1,OPZZIUXJLNZHCP-UHFFFAOYSA-N
-rxn:2:75236:137838,CN(CCC(C)(C)C)Cc1nccc(NC2CCCc3cc(OCCC4CCCCC4)ccc32)n1,FRHKPTQHWFMWBV-UHFFFAOYSA-N
-rxn:2:75778:134391,CC(C)(F)[C@H]1CC[C@H](NC2CCCc3c2cnn3COCC[Si](C)(C)C)CC1,COYNWUXZPZJNCK-RSBROLRWSA-N
-rxn:2:75953:124420,CCN(CC(NCC1(S(=O)(=O)CC)CCOCC1)c1cccs1)C1CC1,LWWATQUFFVZZFT-UHFFFAOYSA-N
-rxn:2:76663:146033,CC(NCC(C)(C)CS(=O)(=O)C1CCCN(C)C1)c1ccc(-c2cnc(N3CCCCC3)nc2)cn1,FYFFGDQCVQBQDM-UHFFFAOYSA-N
-rxn:2:76663:162612,CCn1ncc2cc(-c3cnc(C(C)NCC(C)(C)CS(=O)(=O)C4CCCN(C)C4)c(OC)c3)ccc21,MFHUIKZDKSFEJC-UHFFFAOYSA-N
-rxn:2:77583:95786,CN(C)CCCN1CCC(C)(NC(C#CN2CCCC2)c2ccc[nH]2)CC1,ZLWMXBUZYGYQLL-UHFFFAOYSA-N
-rxn:2:78373:85173,CCS(=O)(=O)c1cncc(NC2CCCCCC2CN(CC(C)C)C2CC2)c1,FWTHMJASIZQYFV-UHFFFAOYSA-N
-rxn:2:78635:140181,CC(C)c1ccc(C(C)NC2CCC(C(N(C)C)C(C)(C)C)CC2)cn1,GBWLICMPBIUAMY-UHFFFAOYSA-N
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-rxn:2:78650:157976,CCC(C)(C)C(NC1CCC(c2ccc(-c3ccn(C4COC4)n3)cc2)CC1)c1ccc(OC)c(C)c1,CEFVJHFLCKTTKE-UHFFFAOYSA-N
-rxn:2:79223:148296,CN1CCCC(N(CCNC2CCC(c3ccc(S(C)(=O)=O)cc3)CC2)C2CC2)C1,FQCKZVXCGFBTBI-UHFFFAOYSA-N
-rxn:2:79266:126600,Cc1ccc(C(C)NCC2CN(C)CC(C)CN2C2CC2)c(OS(=O)(=O)F)c1,NUPGMHJJDFNKNP-UHFFFAOYSA-N
-rxn:2:79428:70249,CCCC(Nc1ccc(CS(=O)(=O)C(C)C)cc1)C1CCCCN1C1CCCC1,WHPDWDRYFDMKOR-UHFFFAOYSA-N
-rxn:2:79800:123260,CN(C)C1(c2ccccn2)CCC(NCCS(=O)(=O)N=S(C)(C)=O)CC1,OIHIGVZCWOBOLE-UHFFFAOYSA-N
-rxn:2:79968:137712,CC(C)c1ccc(C(NC2CCN(Cc3ccc(C(C)(C)C)cc3)CC2)C2CCC2)cc1,QHSAMUQNUXSTDZ-UHFFFAOYSA-N
-rxn:2:80298:96397,Cc1c2c(nn1COCC[Si](C)(C)C)C(Nc1cc(C3CCC(F)(F)CC3)n[nH]1)CC2,UJOAQBCIVSEHHW-UHFFFAOYSA-N
-rxn:2:81735:172135,CCC(NC1CC(C(C2CCN(C)C2)N(C)C)C1)c1ccc(-c2ccnn2CC(C)C)cc1C,OHGLIGQFJWXNDW-UHFFFAOYSA-N
-rxn:2:81873:164290,Cc1[nH]c2ccccc2c1C(CN1CCN(C)CC1)NCC1(S(=O)(=O)C2CC2)CC1,JPDVDSBZJWZNPG-UHFFFAOYSA-N
-rxn:2:82164:107914,Cc1cccc(CCC(NC(CCN2CCC(N(C)C)CC2)C(C)(C)C)C2CCC2)c1,KOCALZUFFARWDQ-UHFFFAOYSA-N
-rxn:2:82164:117560,CN1CCN(Cc2cccc(C(NC(CCN3CCC(N(C)C)CC3)C(C)(C)C)C3CCCC3)c2)CC1,PQBCDDVJRWRAHQ-UHFFFAOYSA-N
-rxn:2:82164:82094,CN1CCN(Cc2cccc(C(NC(CCN3CCC(N(C)C)CC3)C(C)(C)C)C3CC3)c2)CC1,LVRSCODRKCMCBM-UHFFFAOYSA-N
-rxn:2:83192:161441,Cc1c(C(C)NC2CCC(N3CCC(CN(C)C)CC3)C2)cc(-c2ccc3[nH]c(=O)[nH]c3c2)n1C,QEQVOSWCFJKRMM-UHFFFAOYSA-N
-rxn:2:83263:125261,CC(C)Sc1nc(NC2CCN(CCCCN(C)C)C(C)C2)cc(=O)[nH]1,FPDDRIZAIIBGJF-UHFFFAOYSA-N
-rxn:2:83490:93310,CCCC(C(Nc1ccc(OC)c2c1CCCC2)c1ccc2c(c1)CCO2)N1CCCC1,BSRVSDNGAAKMEZ-UHFFFAOYSA-N
-rxn:2:83688:93469,CSCCC(NCC1CC1c1ccc(S(C)(=O)=O)cc1)C1CCS(=O)(=O)C1,RBMKLZYPQKTKMY-UHFFFAOYSA-N
-rxn:2:83914:114498,CCC(CN1CCC(N(C)C)CC1)Nn1c(C(C)C)ccc1C(C)C,CUNJPUZDVPXZDM-UHFFFAOYSA-N
-rxn:2:84134:92636,CCC(CN(C)Cc1cscn1)NCC1(S(=O)(=O)CC)CC2(CC2)C1,PHKKRCQFYLPHHN-UHFFFAOYSA-N
-rxn:2:84241:114642,CCS(=O)(=O)OC[C@H]1CCC(NCC2(c3cccnc3)CS(=O)(=O)C2)C1,IBRMWWGHMQRACK-LBAUFKAWSA-N
-rxn:2:84594:104198,CN(C1CCC(NCCC(C2CCC2)C2CCC2)CC1)C(C)(C)C,KRUPRAKRRJACSG-UHFFFAOYSA-N
-rxn:2:84594:111450,CN(C)C1CCC(NC2CCC(N(C)C(C)(C)C)CC2)CC1,MVMSEBGXIMVRRZ-UHFFFAOYSA-N
-rxn:2:84594:125286,CN(C)C(C1CCC1)C1CCC(NC2CCC(N(C)C(C)(C)C)CC2)CC1,WWRUYDPJFPOYKY-UHFFFAOYSA-N
-rxn:2:84594:92268,CC(C)C(NC1CCC(N(C)C(C)(C)C)CC1)c1ccc(OC2CCCC2)cc1,QNAHIXOPSKLJOQ-UHFFFAOYSA-N
-rxn:2:84594:99460,CN(C)C(C1CCCC1)C1CC(NC2CCC(N(C)C(C)(C)C)CC2)C1,FHZVQJNWZYZYPI-UHFFFAOYSA-N
-rxn:2:84703:156370,CCC(C)(CNC(C)CCCc1nc2ccccc2c(=O)[nH]1)N(C)C1CCCCC1C,LTXYNUQJJJCDER-UHFFFAOYSA-N
-rxn:2:84714:83263,CCC(CC)n1nccc(NC2CCN(CCCCN(C)C)C(C)C2)c1=O,GEZWKILTEOUHHF-UHFFFAOYSA-N
-rxn:2:85074:96049,CN(CCN1C2CCCC1CC(NCC1(n3ccnc3)CCS(=O)(=O)CC1)C2)C1CC1,WGNTZUZYLCZDNZ-UHFFFAOYSA-N
-rxn:2:85115:121864,CCOc1ncc(C2C(CNC3CCC(COS(=O)(=O)CC)C3)C2(F)F)cn1,XSARYTWBBUWDLS-UHFFFAOYSA-N
-rxn:2:85458:162583,CN(C)C1CCC(N(C)CCNC(c2ccc(-c3cnn(S(C)(=O)=O)c3)cc2)C2CC2)CC1,FKMMHDKLTYGKEY-UHFFFAOYSA-N
-rxn:2:85543:84594,CN(C)C1CC(CNC2CCC(N(C)C(C)(C)C)CC2)C1,INGQSBPUMDANNV-UHFFFAOYSA-N
-rxn:2:85601:112677,CCS(=O)(=O)c1ccc(CONCC(C2CCCC2)S(=O)(=O)CC)cc1,AZFXSNBSMLUIFO-UHFFFAOYSA-N
-rxn:2:85601:114454,CCS(=O)(=O)c1ccc(CONCC(C2CCCCC2)S(=O)(=O)CC)cc1,GKGFPKDIOMCHOM-UHFFFAOYSA-N
-rxn:2:86265:153662,CCc1ccc(C(NCC2(OC)CCCS(=O)(=O)C2)C23CN4CN(CN(C4)C2)C3)cc1,IEPRKSRVXGPFMQ-UHFFFAOYSA-N
-rxn:2:86416:157727,CCCn1nc(-c2cccnc2)cc(C(C)NCC2(C(C3CCN(C)CC3)N(C)C)CCC2)c1=O,YGLOMBMPIQVRAC-UHFFFAOYSA-N
-rxn:2:86416:165978,CCCn1nc(-c2cccs2)cc(C(C)NCC2(C(C3CCN(C)CC3)N(C)C)CCC2)c1=O,FDVDEZGVUYPCLP-UHFFFAOYSA-N
-rxn:2:86701:138182,CC(Nc1nc(CN2CCC(N(C)C)CC2)cs1)SCC#Cc1ccc(C(=O)C(C)C)cc1,RZPZZIUVKQODQC-UHFFFAOYSA-N
-rxn:2:86961:173222,CCOc1cc(C2CCN(C)CC2)ccc1NC(CC)c1ccc2[nH]c(C3CCCCC3)nc2c1,HEWYJZWZMHGZMM-UHFFFAOYSA-N
-rxn:2:87267:110500,CC(C)C(NC(C1CCCC1)C1CCCC1)c1cccc(C(C)(C)C)c1,KZOUGWDCDYBFHY-UHFFFAOYSA-N
-rxn:2:87384:108555,CN(C)C1CC(NC2CC(N(C)C(C)(C)C)C23CCC3)C1,MQVSGPRAWXMVCN-UHFFFAOYSA-N
-rxn:2:87384:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3NC2CC(N(C)C(C)(C)C)C23CCC3)cn1,LXXVMQNVLWAHOT-UHFFFAOYSA-N
-rxn:2:87619:110753,CCC(Nc1ccc(OC)c(CN2CCC(C)CC2)c1)C1CCN(c2ccc3c(c2)OCO3)C1,JBCVSZFBISIGQE-UHFFFAOYSA-N
-rxn:2:87746:147968,CCCCC(/N=c1\ncc2c([nH]1)CC(C)(C)CC2=O)NC(c1ccc(OC)c(C(C)C)c1)C(C)C,YTDIFOQBZBFLDB-UHFFFAOYSA-N
-rxn:2:88247:144237,CC(=O)c1cncc(C2C(CSC(C)NC3CCCN(c4nc(C)c(C)c(=O)n4C)C3)C2(F)F)c1,SXLXJNWCWLZBNM-UHFFFAOYSA-N
-rxn:2:88941:94800,CCC(C)(C)Cn1ccnc1NC(C)c1ccc(OC)c(OC(C)C2CCN(C)CC2)c1,DAXDHCGQTNBQMO-UHFFFAOYSA-N
-rxn:2:89200:98788,CCC(CN(C)C1CCN(C)CC1)Nc1cnccc1OCCC(C)C,HVXPVAHOEZUIQW-UHFFFAOYSA-N
-rxn:2:89462:114712,CCS(=O)(=O)C1(CNC(c2ccc(CN3CCN(C)CC3)cc2)C2CC2)CCC1,ZMIZSKAVKUMCMZ-UHFFFAOYSA-N
-rxn:2:89583:147968,CCCCC(/N=c1\ncc2c([nH]1)CC(C)(C)CC2=O)NCC#Cc1cccc(OCC(C)C)c1,DPTXUCKKVRPFSD-UHFFFAOYSA-N
-rxn:2:90506:114032,CCC(C)(C)OCC(Nc1ccnc(CN(C)C2CCN(C)CC2)n1)c1cccn1C,AGXMMZFIFMKQCH-UHFFFAOYSA-N
-rxn:2:90617:126600,Cc1ccc(C(C)NCCN2CCC(CN(C)C)CC2)c(OS(=O)(=O)F)c1,WCABUQPIORJBGV-UHFFFAOYSA-N
-rxn:2:91083:155396,CC(=O)c1ccc(C2C(CSC(C)Nc3c(C)cc(N(C)C4CCCCCC4)nc3C)C2(F)F)nc1,GFCFNRLWERLQBE-UHFFFAOYSA-N
-rxn:2:91900:170963,CCCCSC(=N)C(F)(F)c1cccc2c1CCC2NCC1CCN(c2nncc(=O)[nH]2)CC1,DJHZASLUQSHPRC-UHFFFAOYSA-N
-rxn:2:92118:109800,CCC(C(NCC1CN(C)CCCN1c1ccccc1OC)c1ccccc1)N1CCCOCC1,NBWQVZLIBPOTKO-UHFFFAOYSA-N
-rxn:2:92478:147968,CCCCC(/N=c1\ncc2c([nH]1)CC(C)(C)CC2=O)NC(CCN(C)C)c1ccncc1,PQKMBSYKOISMMO-UHFFFAOYSA-N
-rxn:2:92541:115389,CCC(C(Nc1ccccc1OCCC1CCCCC1)c1ccc2c(c1)CCCC2)N1CCCC1,YAGBIRPASZPEIA-UHFFFAOYSA-N
-rxn:2:92636:137447,CCS(=O)(=O)CC(NCC1(S(=O)(=O)CC)CC2(CC2)C1)c1ccccc1,WYZTYMHYAIWGGO-UHFFFAOYSA-N
-rxn:2:92693:141552,CCC(Nc1cncnc1OC1CCC(N(C)C)CC1)C(c1ccc(OC)c(C)c1C)C(C)C,IWIRYGYKVRAARO-UHFFFAOYSA-N
-rxn:2:93150:79439,CN(CC1CCC(Nc2cccc(OCC3CCCC3)c2)CC1)C(C)(C)C,BKPLFIYYMMZCSX-UHFFFAOYSA-N
-rxn:2:93469:118177,CSCCC(NCCOc1ccc(S(C)(=O)=O)cc1)C1CCS(=O)(=O)C1,OJFAJXBYUSJZMG-UHFFFAOYSA-N
-rxn:2:94411:91802,CC1CC(C(C)(C)C(C)C)CCC1Nc1nccc(OCCN(C)C)n1,XBNLSXXTSBBEIU-UHFFFAOYSA-N
-rxn:2:94499:126600,Cc1ccc(C(C)N[C@@H]2CCCN(CCN(C)C)C2)c(OS(=O)(=O)F)c1,IGQXWODNEJIWJH-OEMAIJDKSA-N
-rxn:2:94852:142505,CC(=O)c1ccc(C2C(CCSC(C)NC3(c4ncc[nH]4)CCCC3C(C)(C)C)C2(F)F)nc1,URYPMBXMJNLROS-UHFFFAOYSA-N
-rxn:2:94852:155396,CC(=O)c1ccc(C2C(CSC(C)NC3(c4ncc[nH]4)CCCC3C(C)(C)C)C2(F)F)nc1,HRTRFZPHJKOKSS-UHFFFAOYSA-N
-rxn:2:94876:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3NC2CCCCCC2N(CC(C)C)C2CC2)cn1,VVRCPZVNLCALCX-UHFFFAOYSA-N
-rxn:2:94882:109766,CCC(Nc1ccc2c(c1)CCC(N1CCCC1)CC2)c1ccc(OCC2CCCCC2)cc1,MUAZHIVYTBMMMC-UHFFFAOYSA-N
-rxn:2:95059:70249,CCCC(NCCCc1cccc(S(C)(=O)=O)c1)C1CCCCN1C1CCCC1,XTFWGZQYQWVGEV-UHFFFAOYSA-N
-rxn:2:95103:139947,CCC(NCC(OC)C(C)C)C(C)N(C)C1CCOCC1,VNXSAIPGFLETQD-UHFFFAOYSA-N
-rxn:2:95311:117066,CC(NC1CCC(N(C)CCN(C)C)CC1)c1ccc(OS(=O)(=O)[O-])cc1,YHSSWSDIHOGRGJ-UHFFFAOYSA-M
-rxn:2:95340:136221,CCC(NCCC(c1ccc2c(c1)CCC2)N(C)C)C1CCN(C2CC2)C1,ZJXWMVNVZLGXQO-UHFFFAOYSA-N
-rxn:2:95402:155396,CC(=O)c1ccc(C2C(CSC(C)NCC3CN(C)CC(C)(C)N3c3ccccc3)C2(F)F)nc1,XJTQTUJJFIICDG-UHFFFAOYSA-N
-rxn:2:96290:118444,CCS(=O)(=O)OC[C@@H]1CCC(NCCC2(c3cccs3)CS(=O)(=O)C2)C1,NXTQOOZKSAFIND-GICMACPYSA-N
-rxn:2:96485:155396,CC(=O)c1ccc(C2C(CSC(C)NC3(c4ncc[nH]4)CCCC(N(C)C)C3)C2(F)F)nc1,HBPQPLXLYIZYLR-UHFFFAOYSA-N
-rxn:2:96904:155396,CC(=O)c1ccc(C2C(CSC(C)Nc3n[nH]cc3N(C)CC3CCCCO3)C2(F)F)nc1,NLQWTMFAMVEGTD-UHFFFAOYSA-N
-rxn:2:97227:115389,CCOCC1CCCN(c2ccc(NC(c3ccc4c(c3)CCCC4)C(CC)N3CCCC3)cn2)C1,BNEPZYVSSZXTKV-UHFFFAOYSA-N
-rxn:2:97326:162371,COCC1(NC(C)c2ccc(OC)c(-c3cn[nH]c3C(C)C)c2)CC(C[Si](C)(C)C)C1,YAJJIGJLEZGOHM-UHFFFAOYSA-N
-rxn:2:97909:154947,CCN1CCCC1c1n[nH]c2c1C(NC(CN1CCC(N(C)C)CC1)c1c[nH]c3ccccc13)CCC2,ISSAGWFOMLVTKV-UHFFFAOYSA-N
-rxn:2:98318:168561,CC(CNC(C#CN1CCCCC1)c1ccc2[nH]c(=O)[nH]c2c1)C(c1ccc2c(c1)OCO2)N(C)C,DHHBIDCYTVUBEL-UHFFFAOYSA-N
-rxn:2:98533:144920,CC(C)CN(C)C1CCC(ONC(C)c2c(-c3cccc(OC(C)C)c3)cn[nH]c2=O)CC1,XUAUVULNPFWGIT-UHFFFAOYSA-N
-rxn:2:98533:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3NOC2CCC(N(C)CC(C)C)CC2)cn1,KJRAITPOWUIILZ-UHFFFAOYSA-N
-rxn:2:98598:110753,CCC(Nc1cncc(OC(C)(C)CN(C)C)c1)C1CCN(c2ccc3c(c2)OCO3)C1,SWPNYWPYGKERJB-UHFFFAOYSA-N
-rxn:2:99502:119530,Cc1ccc(CNC2CC(CS(=O)(=O)c3ccccc3)C2)c(N2CCC(N(C)C)CC2)n1,HRXFAZNZIZGHGL-UHFFFAOYSA-N
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-rxn:2:127968:160627,CCC1(O[Si](C)(C)C(C)(C)C)CCC(NC(C)c2ccc(-c3ccncc3)[nH]c2=O)CC1,WVVSTVUPMJRKRM-UHFFFAOYSA-N
-rxn:2:128682:126600,Cc1ccc(C(C)NCc2cn(C34CC5CC(CC(C5)C3)C4)[nH]c2=O)c(OS(=O)(=O)F)c1,JYMVIXILNNMRKM-UHFFFAOYSA-N
-rxn:2:129758:115972,CN1C2CCC1CC(CNC1C[C@H]3CC[C@@]1(CS(=O)(=O)F)C3(C)C)(N(C)C1CC1)C2,JRUPCZYUQHNXQB-SYQODBNUSA-N
-rxn:2:129758:67412,CN1C2CCC1CC(CNC1C[C@H]3CC[C@]1(CS(=O)(=O)F)C3(C)C)(N(C)C1CC1)C2,JRUPCZYUQHNXQB-ZLMFQLBDSA-N
-rxn:2:129758:82250,CN1C2CCC1CC(CNC1C[C@@H]3CC[C@@]1(CS(=O)(=O)F)C3(C)C)(N(C)C1CC1)C2,JRUPCZYUQHNXQB-XROWHGPJSA-N
-rxn:2:129883:168561,CC(C)C(N(C)C)C(C)(C)CNC(C#CN1CCCCC1)c1ccc2[nH]c(=O)[nH]c2c1,NBQGRNSEKBLAET-UHFFFAOYSA-N
-rxn:2:129927:122881,CCCCN1CCCC1c1cnc(NC(C)c2ccccc2OCC2CCCN(C)C2)cc1C,IAALHTYOTDSSQT-UHFFFAOYSA-N
-rxn:2:130474:82981,CCCC1CCN(c2cc(CNC3CCN(CCc4cc(C)c(OC)cc4C)CC3)ccn2)CC1,YWCFAHILKQNCBX-UHFFFAOYSA-N
-rxn:2:131103:77846,CCOS(=O)(=O)CC12CCC(CC1Nc1nccc(C3CCN(C)CC3)n1)C2(C)C,LTJDSRYVFFOVDD-UHFFFAOYSA-N
-rxn:2:131158:125295,CCN1CC2CCCC(NC3CC(CS(=O)(=O)F)C3)(C1)C2(F)F,HPCRYGKNMOIEGX-UHFFFAOYSA-N
-rxn:2:131193:122583,COc1ccc(C(CCN2CCCCC2)Nc2ccc(N3CCC(OC)CC3)nc2)c(C)c1C,ZYPKORBBDHVBCG-UHFFFAOYSA-N
-rxn:2:131193:127911,COc1ccc(C(CCN2CCOCC2)Nc2ccc(N3CCC(OC)CC3)nc2)c(C)c1C,OWRMLFUTNLYUIX-UHFFFAOYSA-N
-rxn:2:131357:73828,CC1CC(Nc2ccc(C3CCN(C)CC3)nc2OC(C)C)C(C)(C)C1,HNGMOOIQZDRNDB-UHFFFAOYSA-N
-rxn:2:132135:125863,CCC1CCN(Cc2cc(NC(C)c3cnc(N4CCN(CC)CC4)nc3C)ccc2OC)CC1,UEUUFHVHMSPQQN-UHFFFAOYSA-N
-rxn:2:132135:71464,CCC1CCN(Cc2cc(NC(CC)c3cnc(N4CCCC4)c(C)c3)ccc2OC)CC1,ZXTIMCBVCBPIPN-UHFFFAOYSA-N
-rxn:2:132456:95309,Cc1ccc2c(c1)C(NCC1CCCN1C(C)C1CC1)CC(C)(C)CC2,RFESGKAYGVYCGN-UHFFFAOYSA-N
-rxn:2:132803:143385,CCN1CCC(CNC2CCN(c3cc(COC)nc(-c4ccncc4)n3)CC2)(N2CCOCC2C)CC1,FOVQLTAFCMIDNT-UHFFFAOYSA-N
-rxn:2:133265:116811,COCCN1CC(Nc2cccn(CCCN(C)C)c2=O)CCC1(C)C,ZJTUXKQWFWOJDT-UHFFFAOYSA-N
-rxn:2:133266:111314,CCC1COCCN1C1(CNC(COC)c2ccnn2C)CCN(C)CC1,ZDXBVNDNDIWPNZ-UHFFFAOYSA-N
-rxn:2:133419:163743,CS(=O)(=O)c1cccc(C(NC(c2n[nH]c(=O)[nH]2)C2C3CC4CC(C3)CC2C4)C2CCC2)c1,BKUPKBIZZUAZFQ-UHFFFAOYSA-N
-rxn:2:133772:139845,CCc1cc(C(Nc2ccc(N3CCN(CC(C)(C)C)CC3)cn2)C2(C)CC2)ccc1OC,YCCRHMQAPLQOSK-UHFFFAOYSA-N
-rxn:2:133959:106024,CCC(CC)C(=O)Oc1cccnc1NC(CC(C)C)c1ccccc1N1CCCCC1,XUCHFVRHERNXNN-UHFFFAOYSA-N
-rxn:2:134209:128441,CCCC(C)(CC1C2CC3CC(C2)CC1C3)NC(CCS(=O)(=O)F)C1CC1,MXOPFLKNZHIRPS-UHFFFAOYSA-N
-rxn:2:135506:153305,CC(Nc1ccn(CCO[Si](C)(C)C(C)(C)C)n1)c1cn(N2CCOCC2)c(=O)[nH]c1=O,XVABZAYIAVZCLK-UHFFFAOYSA-N
-rxn:2:135549:161893,CC1(O[Si](C)(C)C(C)(C)C)CC(Nn2ccc3nc(N4CCOCC4)ncc3c2=O)C1,YAZWAKPFASGAGZ-UHFFFAOYSA-N
-rxn:2:135877:140202,CC(NC1CC2CCCC(C1)N2C1CC1)c1ccc(OS(C)(=O)=O)cc1,KDMMQHOVMASOJG-UHFFFAOYSA-N
-rxn:2:135940:141891,Cc1ccc(C(NC(C)Cc2c[nH]c3ccc(OC(C)C)cc23)C2CCCCC2)cc1C(C)(C)C,PUMUTKRYGUVPOT-UHFFFAOYSA-N
-rxn:2:136206:91416,CN(C1CC1)C(CNC1CC2CCC1(CS(=O)(=O)F)C2(C)C)C1C2CC3CC(C2)CC1C3,NKNXTWJJXPYULT-UHFFFAOYSA-N
-rxn:2:138115:74747,CC(CC12CC3CC(C1)CC(N(C)C)(C3)C2)NC1C[C@H]2CC[C@]1(CS(=O)(=O)[O-])C2(C)C,KNUUWTSVJKPLHT-KNRGXWHQSA-M
-rxn:2:138287:83584,CC(Nc1ccccc1CN1CCC(C)(C)CC1)c1cnccc1OCCN1CCCCC1,WXWBZVRXIVWOEF-UHFFFAOYSA-N
-rxn:2:138612:154760,CC(C(NC(C)(C)CN(C)Cc1ccc2[nH]c(=O)[nH]c2c1)c1ccccc1)N1CCOC(C)(C)C1,FTXZFIVWKCCPCJ-UHFFFAOYSA-N
-rxn:2:138759:114035,CCN1CCC(COc2ncc(NC(CCOC)C(C)(C)C)cn2)CC1,RVAZMQWKPLOUPM-UHFFFAOYSA-N
-rxn:2:138759:82981,CCN1CCC(COc2ncc(NC3CCN(CCc4cc(C)c(OC)cc4C)CC3)cn2)CC1,MEVSAAQSMUNSQF-UHFFFAOYSA-N
-rxn:2:139138:130221,CC1(C)C2CCC1(CS(=O)(=O)[O-])C(NCCCOC13CC4CC(CC(C4)C1)C3)C2,OTUOPWDXGYYFTG-UHFFFAOYSA-M
-rxn:2:139138:130339,CC1(C)C2CCC1(CS(=O)(=O)[O-])C(NC13CCC(F)(C1)C3)C2,ZGSQNAIPVJPRMU-UHFFFAOYSA-M
-rxn:2:139138:130669,CCC(NC1CC2CCC1(CS(=O)(=O)[O-])C2(C)C)(C(C)C)C12CC3CC(CC(C3)C1)C2,MXACQOGYNFZVJE-UHFFFAOYSA-M
-rxn:2:139138:137962,CC1(C)C2CCC1(CS(=O)(=O)[O-])C(NCC13CCCCC(CN(C4CC4)C1)C3(F)F)C2,KZTBBFAGHNAEJX-UHFFFAOYSA-M
-rxn:2:139138:142142,CC(C)CC12CC3CC(C1)C(C(C)NC1CC4CCC1(CS(=O)(=O)[O-])C4(C)C)C(C3)C2,WCBOORFHJVKUCA-UHFFFAOYSA-M
-rxn:2:139198:147681,CC(Nc1[nH]ncc1N(C)C(C)C(C)C)SCCC#Cc1ccc2c(c1)C(=O)CCC2,NZRSZNSQJXATJS-UHFFFAOYSA-N
-rxn:2:139843:73038,CCC(Nc1nccnc1OCCN1CCCCC1)c1cnc(N2CCN(CC)CC2)cc1C,YPGDJZLFDJKDPV-UHFFFAOYSA-N
-rxn:2:139861:149407,CC(C)(C)[Si](C)(C)OCCC1(NC(CC2=NCCO2)c2ccc3[nH]c(=O)[nH]c3c2)CC1,WKLJPWAMKSJDJD-UHFFFAOYSA-N
-rxn:2:140012:169898,COC1CCOC2(CCN(CCCNC(c3c[nH]c4ccccc34)C3C(C)(C)C3(C)C)C2)C1,KDSWKOIBHBDOBG-UHFFFAOYSA-N
-rxn:2:140365:141891,Cc1ccc([C@H](NC(c2ccc(C)c(C(C)(C)C)c2)C2CCCCC2)C2CCCCC2)cc1C,QLMLAPHZHYHODL-XGDNGBMYSA-N
-rxn:2:141554:88564,CC12COC3(S(=O)(=O)[O-])C1CCC2(C)C3NC12CCCC(CN(C3CC3)C1)C2(F)F,RMHCPFPZEADVGS-UHFFFAOYSA-M
-rxn:2:144282:87885,COS(=O)(=O)C[C@]12CC[C@H](CC1Nc1cncc(Oc3ccc4c(c3)OCO4)n1)C2(C)C,JTZLCFRPBPNTPS-LLJKNRFYSA-N
-rxn:2:146058:135343,COc1ccccc1-c1ccc(CNC2CC3CCC2(CS(=O)(=O)OC)C3(C)C)c(=O)[nH]1,UKPYPQAKVVWGEO-UHFFFAOYSA-N
-rxn:2:153054:75731,Cc1ccccc1C(CCN1CCN(C)CC1)NCC(C)(C)N(C)Cc1ccc2[nH]c(=O)oc2c1,CGZDBMNVNAWLIP-UHFFFAOYSA-N
-rxn:2:153416:120015,CCCC(C#CN1CCN(C)CC1)NC(C)CN(C)Cc1ccc2[nH]c(=O)[nH]c2c1,WVOQPGNJXYDKOZ-UHFFFAOYSA-N
-rxn:2:156104:69948,CCC(C(Nc1ccc2c(c1)C1(CCCO1)CS2(=O)=O)c1ccc(OC)cc1)S(C)(=O)=O,QPSFCFKFCJWRDE-UHFFFAOYSA-N
-rxn:2:158894:72574,CC1CCC(NC(CN2CCCC2)c2ccc3[nH]c(=O)[nH]c3c2)C(CN(C)Cc2nccn2C)C1,HZVVYUHTEPFJJH-UHFFFAOYSA-N
-rxn:2:162701:136378,CC(c1cccc(C2CC2)c1)n1[nH]c(=O)cc1NC1CCN(CCOS(C)(=O)=O)CC1,HIJNQKUNWYPCLG-UHFFFAOYSA-N
-rxn:2:165554:77846,CCOS(=O)(=O)CC12CCC(CC1Nc1cnc3c(c1)oc(=O)n3C1CCN(C)CC1)C2(C)C,UBQIASVMZRYMJM-UHFFFAOYSA-N
-rxn:2:66168:70685,O=S(=O)(F)C1CC(NCCc2cc(C34CC5CC(CC(C5)C3)C4)n[nH]2)C1,KELGCWZGUDKRIQ-UHFFFAOYSA-N
-rxn:2:66398:139138,CC1(C(NC2CC3CCC2(CS(=O)(=O)[O-])C3(C)C)C2C3CC4CC(C3)CC2C4)CC1,MOOSFLSIZMZARD-UHFFFAOYSA-M
-rxn:2:66407:143818,CCC(NC(C)CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)c1ccc(N2CCN(C)CC2)nc1C,YEVGJQSPBZYKBJ-UHFFFAOYSA-N
-rxn:2:66620:139138,CC(C)(CNC1CC2CCC1(CS(=O)(=O)[O-])C2(C)C)SC1C2CC3CC(C2)CC1C3,JSVPUKCVXDYHDU-UHFFFAOYSA-M
-rxn:2:66620:91416,CC(C)(CNC1CC2CCC1(CS(=O)(=O)F)C2(C)C)SC1C2CC3CC(C2)CC1C3,NVHZGKIIBCWOHW-UHFFFAOYSA-N
-rxn:2:67078:95376,CCC(Nc1cccn(CCN2CCC(OC)C2)c1=O)c1ccc(N2CCCC2)nc1C,BJENQNDUFHMYEL-UHFFFAOYSA-N
-rxn:2:67983:156355,COC1CCCN(CCCNC(C)c2cc(C)ccc2-c2ccc(N3CCCC3)nc2)C1,TYKBXEWMMVQQCG-UHFFFAOYSA-N
-rxn:2:67983:170893,COC1CCCN(CCCNC(C)c2ccc(C)c(-c3ccc(N4CCCCC4)nc3)c2)C1,MPPJEMKGGWSQPU-UHFFFAOYSA-N
-rxn:2:68026:109946,COC1(CNC2CC3CCCC(C2)N3Cc2ccccn2)CCS(=O)(=O)C1,AJBHWZPQOFGOGM-UHFFFAOYSA-N
-rxn:2:68309:139138,CC1(C)C2CCC1(CS(=O)(=O)[O-])C(NC13CCCCC(F)(C1)C3)C2,KXZCRFPDVMMMGD-UHFFFAOYSA-M
-rxn:2:68309:84015,CC1(C)C2CC[C@]1(CS(=O)(=O)[O-])C(NC13CCCCC(F)(C1)C3)C2,KXZCRFPDVMMMGD-ZNKOEQPGSA-M
-rxn:2:68813:83198,CON(C)C(CNC1C[C@@H]2CC[C@@]1(CS(=O)(=O)OC)C2(C)C)C12CC3CC(CC(C3)C1)C2,ACSDQJPCPBHYIL-ZEHDGAHHSA-N
-rxn:2:68813:97636,CCOS(=O)(=O)C[C@]12CC[C@@H](CC1NCC(N(C)OC)C13CC4CC(CC(C4)C1)C3)C2(C)C,LRNPECZZRQDDBF-DYKWONBSSA-N
-rxn:2:68948:139138,CC1(C)C2CCC1(CS(=O)(=O)[O-])C(NCC13CCCC(CN(C4CC4)C1)C3(F)F)C2,JAFFSHCGRRFOMY-UHFFFAOYSA-M
-rxn:2:69069:140202,CC(NC1C2CCCC1CN(C1CC1)C2)c1ccc(OS(C)(=O)=O)cc1,UAIXRDANCPXPJT-UHFFFAOYSA-N
-rxn:2:70367:159432,COc1cccc(OC(C)Nc2cc(N(C)[C@@H]3COC[C@H]3F)ncn2)c1C(=O)C1(C)CC1,NYXNLCGXNUQUFF-ANGDWKNPSA-N
-rxn:2:70396:104553,CCCO[C@H]1CC[C@](C)(N2CCC(Nc3cc(COCc4ccccc4)[nH]n3)CC2)CC1,HGDHEMFIVUJBOA-YOCNBXQISA-N
-rxn:2:70396:85280,CCCO[C@H]1CC[C@@](C)(N2CCC(Nc3cc(COCc4ccccc4)[nH]n3)CC2)CC1,HGDHEMFIVUJBOA-OGLKEZPNSA-N
-rxn:2:70578:114642,CCS(=O)(=O)OC[C@H]1CCC(NCCC(C)SC23CC4CC(CC(C4)C2)C3)C1,QTXPWZBJEANRGY-MMQISEEWSA-N
-rxn:2:70685:112573,O=S(=O)(F)C1CC(NCc2cc(C3C4CC5CC(C4)CC3C5)cs2)C1,PLVUDBHXKSHOSM-UHFFFAOYSA-N
-rxn:2:70685:127592,O=S(=O)(F)C1CC(NCCc2c[nH]c(C34CC5CC(CC(C5)C3)C4)n2)C1,ITNMKBBJLGNNIP-UHFFFAOYSA-N
-rxn:2:70685:137160,O=S(=O)(F)C1CC(Nc2cc(OC3C4CC5CC(C4)CC3C5)n[nH]2)C1,QBXPJGZQRSUGEW-UHFFFAOYSA-N
-rxn:2:70685:139767,O=S(=O)(F)C1CC(NCCc2nc(C34CC5CC(CC(C5)C3)C4)c[nH]2)C1,LXYSCGGXUGCDOW-UHFFFAOYSA-N
-rxn:2:70685:82871,CSCC(CC1C2CC3CC(C2)CC1C3)NC1CC(S(=O)(=O)F)C1,YPSVZHDEWWOHSW-UHFFFAOYSA-N
-rxn:2:70685:86495,O=S(=O)(F)C1CC(Nc2ccc(OC3C4CC5CC(C4)CC3C5)cn2)C1,NEHSGMOFLFURBA-UHFFFAOYSA-N
-rxn:2:72450:91416,CC1(C)C2CCC1(CS(=O)(=O)F)C(NCCN1CCC(C34CC5CC(CC(C5)C3)C4)C1)C2,FZBYMADASVCBPQ-UHFFFAOYSA-N
-rxn:2:72660:74749,CCC(Nc1ncc(S(=O)(=O)C2CC2)cc1OC)C1CCN(c2ccc(OC)c(OC)c2)C1,KXPZXCSAELGMTL-UHFFFAOYSA-N
-rxn:2:72687:99988,COCC1CCN(c2ccc(NC(C)CC3(c4ccc(C(C)(C)C)cc4C)COC3)cn2)CC1,FMOUPJGGLNOFKO-UHFFFAOYSA-N
-rxn:2:73038:118935,CCC(Nc1cnc(OCCN2CCOCC2)nc1)c1cnc(N2CCN(CC)CC2)cc1C,LPMXGRRYAIZWQP-UHFFFAOYSA-N
-rxn:2:73038:77649,CCC(Nc1cccnc1OCC1CCN(C)C1)c1cnc(N2CCN(CC)CC2)cc1C,AYYIQYIPUANGII-UHFFFAOYSA-N
-rxn:2:73124:122572,CC(=O)c1cncc(C#CCCSC(C)Nc2[nH]nc(C(C)C(C)C)c2CC(C)C)c1,DBZRUJBUFWYKAG-UHFFFAOYSA-N
-rxn:2:73437:160422,CS(=O)(=O)c1ccc(N2CCC(NCC3(F)CN4CCC3CC4)CC2)cc1,ULFMMOKOBNRYDR-UHFFFAOYSA-N
-rxn:2:73437:74747,CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)[O-])C(NCC1(F)CN3CCC1CC3)C2,PUALSKGCXLRPBB-LMMWMHBBSA-M
-rxn:2:73437:79239,CC(C)OS(=O)(=O)C[C@]12CC[C@H](CC1NCC1(F)CN3CCC1CC3)C2(C)C,JPIAAPNRRXOGEW-KJJOEJEFSA-N
-rxn:2:73548:136378,CCC(NC1CCN(CCOS(C)(=O)=O)CC1)c1ccc2c(c1)OCO2,YKJNUWJJMHJALZ-UHFFFAOYSA-N
-rxn:2:73760:129764,COCC1CN(c2ncccc2NC(C)Oc2ccc(C(=O)C3(C)CC3)cc2)CC1(C)C,SHBBCRLSEDUANX-UHFFFAOYSA-N
-rxn:2:74683:134221,CCC(Nc1cnccc1OCCN1CCCCC1)c1cnc(N2CCN(C)CC2)cc1C,HHZRQLHNQNYQQS-UHFFFAOYSA-N
-rxn:2:74747:125212,CC(C)(COC12CC3CC(CC(C3)C1)C2)NC1C[C@H]2CC[C@]1(CS(=O)(=O)[O-])C2(C)C,MRRCBOJRJXHEBN-WPOCFNRLSA-M
-rxn:2:74747:137310,CC(C)C(C)(CC1C2CC3CC(C2)CC1C3)NC1C[C@H]2CC[C@]1(CS(=O)(=O)[O-])C2(C)C,PZODDUYUPGTVGX-BSYHEACESA-M
-rxn:2:74747:137962,CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)[O-])C(NCC13CCCCC(CN(C4CC4)C1)C3(F)F)C2,KZTBBFAGHNAEJX-FXJMFRDXSA-M
-rxn:2:74807:91754,COc1c(C(Nc2cc(C3CCCCC3)n(CC3CCC3)n2)C2CC2)cc(C)cc1C(C)(C)C,QKJJKDQBCDAQDB-UHFFFAOYSA-N
-rxn:2:75344:168561,CN(C)CCC(NC(C#CN1CCCCC1)c1ccc2[nH]c(=O)[nH]c2c1)c1ccc2c(c1)OCO2,SUUBVYOJGFZDFP-UHFFFAOYSA-N
-rxn:2:76295:120210,CC(NC(CCN1CCCCC1)C(C)(C)C)C12CC3CC(CC(C)(C3)C1)C2,JDQXNLJCWPMLNF-UHFFFAOYSA-N
-rxn:2:76569:113250,CC(CCCCN1CCCSCC1)Nc1ccc(N2CC(N(C)C)C2)nc1,OIHCIQYWYWURGK-UHFFFAOYSA-N
-rxn:2:77333:101819,CCC(C)OCCC(C)Nc1ccc(N2CCC(N3CCCC3)C2)cc1,DOXIKHGVBUBOIX-UHFFFAOYSA-N
-rxn:2:77438:152265,CC(CCCO[Si](C)(C)C(C)(C)C)Nn1ccc2nc(N3CCCC3)ncc2c1=O,NMPRBIHNWZKEMU-UHFFFAOYSA-N
-rxn:2:77649:109227,CC(CCCC1CCCN(C)C1)Nc1cccnc1OCC1CCN(C)C1,KWQQYUZAIYNPGT-UHFFFAOYSA-N
-rxn:2:77649:110396,CCC1CCCN(CCCC(C)Nc2cccnc2OCC2CCN(C)C2)C1,MVCNOPFPMKVRHX-UHFFFAOYSA-N
-rxn:2:77649:77846,CCOS(=O)(=O)CC12CCC(CC1Nc1cccnc1OCC1CCN(C)C1)C2(C)C,ZFXASZDVLTZEHQ-UHFFFAOYSA-N
-rxn:2:77782:99758,COn1cc(C(C)NCC(C)(CC2C3CC4CC(C3)CC2C4)OC)c(=O)[nH]c1=O,VBBPERGPIROQFW-UHFFFAOYSA-N
-rxn:2:77894:105229,CCOC1CCN(Cc2ccc(C)c(NC(C)c3ccnc(N4CCOCC4)n3)c2)CC1,QVDCRRUCMAHUQP-UHFFFAOYSA-N
-rxn:2:78139:105790,CC(NCC(C)(C1C2CC3CC(C2)CC1C3)N(C)C)c1ccn(C)c(=O)c1,LYRVASLTHNIGBM-UHFFFAOYSA-N
-rxn:2:78219:134221,CCC(Nc1cccnc1OCCN1CCOCC1)c1cnc(N2CCN(C)CC2)cc1C,MEYMZULTWAAEJK-UHFFFAOYSA-N
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-rxn:2:80854:104695,CCC(COS(C)(=O)=O)NCC(C)N(C)C1C2CC3CC(C2)CC1C3,QRKCBZCKBWFHGN-UHFFFAOYSA-N
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-rxn:2:99413:142605,CC(C)C(NCC1(O[Si](C)(C)C)CN2CCC1CC2)c1c[nH]c2ncnn2c1=O,IJPIOJUMTDKTKC-UHFFFAOYSA-N
-rxn:2:99561:98213,CCOC1(CNC2CC3CCCC(C2)N3CCn2cccn2)CS(=O)(=O)C1,AEXUMHGLYMKTBH-UHFFFAOYSA-N
-rxn:2:99758:140699,CCCC(CS(=O)(=O)F)NCC(C)(CC1C2CC3CC(C2)CC1C3)OC,IEAQTQBNPXUGKQ-UHFFFAOYSA-N
-rxn:2:99871:125295,CCSC(CNC1CC(CS(=O)(=O)F)C1)C1C2CC3CC(C2)CC1C3,PZFJDCFUEMOQEH-UHFFFAOYSA-N
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-rxn:2:100722:81627,CCC(C(Nc1ccc(OCC2CCCCN2C)cc1)c1ccc(OC)cc1)N1CCCC1,KRSUUHFLUXUIBV-UHFFFAOYSA-N
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-rxn:2:100976:114046,CS(=O)(=O)c1cccc(C2(CNC3CC4CCC(C3)N4CC3CC3)CCC2)c1,ZTNYXUQCOQDIFM-UHFFFAOYSA-N
-rxn:2:101165:138055,CCC[C@H]1CC[C@H](c2ccc(C(C)Nc3cnc(OCC4CCN(C5CC5)CC4)nc3)cc2)CC1,CGSSMLBWXJDVQY-QPRYJZSHSA-N
-rxn:2:101165:140982,CCC[C@H]1CC[C@H](c2ccc(C(C)Nc3cnc(OCC4CCCCN4C4CC4)nc3)cc2)CC1,BULSLXSOWXIBGM-JDZNTGKYSA-N
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-rxn:2:102112:142505,CC(=O)c1ccc(C2C(CCSC(C)NCC3CN(C)C(C)(C)C3)C2(F)F)nc1,QSIIGDIEQFLXTO-UHFFFAOYSA-N
-rxn:2:102781:141889,CCN(C1CCCC1)C(C(C)NC1CCC(c2cccc(C)c2)CC1)C(C)(C)C,AYHYHOAZEITMEH-UHFFFAOYSA-N
-rxn:2:102809:115079,CCC1COC(C)CN1c1ncc(NC(c2ccccc2OC)C(C)CN(C)C)cc1C,XJMGFJNEJFTXNR-UHFFFAOYSA-N
-rxn:2:102841:83490,CCCC(C(Nc1ncccc1OCC1CC2(CCC2)C1)c1ccc2c(c1)CCO2)N1CCCC1,MXMYLERPSMZXGL-UHFFFAOYSA-N
-rxn:2:103964:161239,CCN1CC2CN(C)CC(NC(CSc3n[nH]c(=O)[nH]c3=O)c3cccc(OC)c3)(C1)C2(F)F,IVKWNUORBNLESN-UHFFFAOYSA-N
-rxn:2:104200:110184,CCC(CC)c1cc(N2CCC(NCC3CCN(c4ccccc4OC)CC3)CC2)ncn1,FGUAJGDEIUDCLI-UHFFFAOYSA-N
-rxn:2:104233:154391,CC(CCCCn1c(=O)c2nc[nH]c2n(C)c1=O)NCC1CN(C)C(C)CCN1Cc1ccccc1,FOBXXAJIBZHCQE-UHFFFAOYSA-N
-rxn:2:104835:152907,CCOCC1(CNC2CCc3cc(-c4cnn(C5CCOC5)c4)ccc32)CC2(CC2)C1,NGTAGOCDIZNSNX-UHFFFAOYSA-N
-rxn:2:105030:120191,CCC(NC1CC2(CC(COCc3ccccc3)C2)C1)C(c1ccncc1)N1CCC(C)CC1,PCMSJZHRWJBVSB-UHFFFAOYSA-N
-rxn:2:106196:118146,CC(NC1(c2ccccc2)CC[Si](C)(C)CC1)c1cnccc1OCCN1CCOCC1,SEXHUJPJENNAOF-UHFFFAOYSA-N
-rxn:2:106514:168769,CC(CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)NCC1(Cc2cccnc2)CCC(F)(F)CC1,DUZCCZGADDYWAE-UHFFFAOYSA-N
-rxn:2:108131:137446,CS(=O)(=O)C(CNCC#Cc1ccc(S(=O)(=O)F)cc1)C1CCCCC1,SOHFQVDDPYLEPV-UHFFFAOYSA-N
-rxn:2:108272:126170,CCCC(C(Nc1nccnc1OCC1CCCO1)c1ccc2c(c1)CCC2)N1CCCC1,UOABZIFFRHHBMO-UHFFFAOYSA-N
-rxn:2:108272:171582,CCCC(C(Nc1nccnc1OCC1CCCO1)c1ccc2c(c1)CCCC2)N1CCCC1,XCBPPXQAQWRJJU-UHFFFAOYSA-N
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-rxn:2:109179:162085,COc1ccc(NC(c2cnc[nH]2)c2cccc(C3=NC(C)(C)CO3)c2C)cc1OCC1CC(F)(F)C1,AFVGTVADKUQHQF-UHFFFAOYSA-N
-rxn:2:109215:83584,CC(NC1CCN(C(C)c2ccccn2)CC1)c1cnccc1OCCN1CCCCC1,BPBURPVCSFRJKO-UHFFFAOYSA-N
-rxn:2:109579:137351,CCCCC1CCC(c2cc(NC(c3ccc(SC4CCCC4)cc3)C(C)C)[nH]n2)CC1,ZWAKXJZNUCUGMT-UHFFFAOYSA-N
-rxn:2:109579:164265,CCCCC1CCC(c2cc(NC(C)c3ccc(OC)c(-c4cnn(C5CCOC5)c4)c3)[nH]n2)CC1,CKAAMRZEDYQQQM-UHFFFAOYSA-N
-rxn:2:109579:168958,CCCCC1CCC(c2cc(NC(C)c3cccc(-c4ccc(OC5CCCCC5)cc4)c3)[nH]n2)CC1,KNHDFIDFAMNFBI-UHFFFAOYSA-N
-rxn:2:109579:169367,CCCCC1CCC(c2cc(NC(c3c[nH]c4c(C(C)C)cccc34)C3CCCC3)[nH]n2)CC1,YEVLTNIGRDZMSE-UHFFFAOYSA-N
-rxn:2:109579:169470,CCCCC1CCC(c2cc(NC(C)c3ccc(Oc4ccc(C5CCCCC5)cc4)nc3)[nH]n2)CC1,RJJLJBAONUMLQR-UHFFFAOYSA-N
-rxn:2:109760:160422,CCCCN1CCN(c2cc(NC3CCN(c4ccc(S(C)(=O)=O)cc4)CC3)ccn2)CC1,WELXKHYVMXNFFU-UHFFFAOYSA-N
-rxn:2:110117:163343,CCC1CCC(NC(C)c2ccc(OC)c(-c3cnc(N4CCCC4)nc3)c2)C(Oc2ccccc2OC)C1,JIWCDHYAVIQQLB-UHFFFAOYSA-N
-rxn:2:110220:126412,O=S(=O)(c1cccs1)C1CCC(NCCCSC23CC4CC(CC(C4)C2)C3)CC1,WCTJWKAGDGTYRL-UHFFFAOYSA-N
-rxn:2:111431:81627,CCC(C(NCC1(S(=O)(=O)CC)CCCC1)c1ccc(OC)cc1)N1CCCC1,VYEDSYPMFHAILW-UHFFFAOYSA-N
-rxn:2:111488:96500,CC(Nc1[nH]c(=O)ncc1CN1CCOCC1)c1cnccc1OCCC1CCCCC1,MTDJKKHHQZZTPY-UHFFFAOYSA-N
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-rxn:2:112001:119356,COC1CCN(C(CNC(C)c2cnccc2OCC2(C)CCC2)c2cccnc2)CC1,DYGQMIQWRQHFNS-UHFFFAOYSA-N
-rxn:2:112215:124684,CCC(C(Nc1ccc(OCC2(CC)CCC2)nc1)c1ccc2c(c1)CCC2)N1CCCC1,KGQHXQYHYAONGU-UHFFFAOYSA-N
-rxn:2:112507:166424,COC1CCOC2(CCN(CCNC(c3ccc(OC(C)C)cc3)c3cccnc3)CC2)C1,GHEVRVXHHUPCCX-UHFFFAOYSA-N
-rxn:2:112507:170756,CCC(NCCN1CCC2(CC1)CC(OC)CCO2)c1ccc(-c2ccc3cn[nH]c3c2)cc1C,KSPGZQPMCFCEOJ-UHFFFAOYSA-N
-rxn:2:112747:151596,CC(CCCCn1c(=O)c2ncn(C)c2n(C)c1=O)NC1CCN(CC2(c3ccccc3)CC2)C1,DVJZMTDMUVLDMI-UHFFFAOYSA-N
-rxn:2:113527:143973,CN(C)C1CCN(c2nccc(CNC3CCN(C4=NS(=O)(=O)c5ccccc54)CC3)n2)CC1,BUULVNJBMBUBLU-UHFFFAOYSA-N
-rxn:2:113753:141891,COc1cc(OCC2CCCCC2)ccc1NC(c1ccc(C)c(C(C)(C)C)c1)C1CCCCC1,OTYDGCXLJUHKAG-UHFFFAOYSA-N
-rxn:2:114231:147524,CCc1nc2cc(C(CCN3CCCC3)Nc3ccc(OC4CCCN(CC)C4)nn3)ccc2[nH]1,KGSCLLOMHAQMJS-UHFFFAOYSA-N
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-rxn:2:115389:124684,CCC(C(Nc1ccc(OCC2(CC)CCC2)nc1)c1ccc2c(c1)CCCC2)N1CCCC1,QLQCKXCHPLECDD-UHFFFAOYSA-N
-rxn:2:115596:120191,CC(Cc1nc(C2CCN(C)CC2)c[nH]1)NC1CC2(CC(COCc3ccccc3)C2)C1,SSICKORCCKDKSN-UHFFFAOYSA-N
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-rxn:2:116821:83584,CC(Nc1cnc(OCC2CCN(C)CC2)nc1)c1cnccc1OCCN1CCCCC1,JUJVACFMLOFIGB-UHFFFAOYSA-N
-rxn:2:117066:125286,CC(NC1CCC(C(C2CCC2)N(C)C)CC1)c1ccc(OS(=O)(=O)[O-])cc1,PYWGZEOZZFDJBI-UHFFFAOYSA-M
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-rxn:2:117825:148738,CCOCC1CCCN(c2ncccc2NC(c2ccccc2)c2cnc(N3CCN(C)CC3)cc2C)C1,OPWTUZUWAMYPCU-UHFFFAOYSA-N
-rxn:2:117825:68047,CCOCC1CCCN(c2ncccc2NC(C)c2cnc(N3CCOCC3)nc2C)C1,XKAPNGFUTQGSFJ-UHFFFAOYSA-N
-rxn:2:117825:73038,CCOCC1CCCN(c2ncccc2NC(CC)c2cnc(N3CCN(CC)CC3)cc2C)C1,IUPKFLJIDJSEKG-UHFFFAOYSA-N
-rxn:2:117825:73328,CCOCC1CCCN(c2ncccc2NC(c2ccccc2CN2CCN(C)CC2)C2CCCC2)C1,BIHBPVNADFPCLY-UHFFFAOYSA-N
-rxn:2:118272:135263,CCCC(C(NCc1ccc(C)nc1OC1CCN(C)CC1)c1ccccc1)N1CCCC1,IDQORWRAHBPCQY-UHFFFAOYSA-N
-rxn:2:118444:125276,CCS(=O)(=O)OC[C@@H]1CCC(NCC(C)(C)SC23CC4CC(CC(C4)C2)C3)C1,XOBUJGIRNBPORS-DXYSLGBVSA-N
-rxn:2:118770:74747,CC(OCCNC1C[C@H]2CC[C@]1(CS(=O)(=O)[O-])C2(C)C)C12CC3CC(CC(C3)C1)C2,XVGGQNQCZNQRFO-JGPCBEHISA-M
-rxn:2:119530:143973,Cc1ccc(CNC2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)c(N2CCC(N(C)C)CC2)n1,JEEBQQDSGFTMPT-UHFFFAOYSA-N
-rxn:2:119756:72383,CCCOc1ccccc1N1CCCC(NC(c2cnc(C3CC3)nc2OC)C(C)C)C1,MCFMZNJRHBNIGH-UHFFFAOYSA-N
-rxn:2:120191:136717,CC(CNC1CC2(CC(COCc3ccccc3)C2)C1)Cc1nccc(C2CCN(C)CC2)n1,NAWFWWHKWTXHME-UHFFFAOYSA-N
-rxn:2:120592:90505,CCn1ncc(C(CN2CCOCC2)Nc2cccnc2N2CCN(CCOC)CC2)c1C,IYJCHWMPNYNQEC-UHFFFAOYSA-N
-rxn:2:120784:73038,CCOCC1CCN(c2ccccc2NC(CC)c2cnc(N3CCN(CC)CC3)cc2C)CC1,XICZKIISUBIXCI-UHFFFAOYSA-N
-rxn:2:121002:165752,CCC(NCC1CC(N(C)C)CC(C)(C)C1)c1ccc(-c2cc(OC)nnc2OC)cc1,IVPFVDIDWKLLFG-UHFFFAOYSA-N
-rxn:2:121224:143973,CN1CCC(N(C)c2nccc(CNC3CCN(C4=NS(=O)(=O)c5ccccc54)CC3)n2)CC1,RJSIHFVXHPINFK-UHFFFAOYSA-N
-rxn:2:121265:125092,CC(CC(c1ccccn1)N1CCN(C)CC1)NCCCc1ncc(C2CCN(C)C2)[nH]1,JIRJIWRLPOHMHL-UHFFFAOYSA-N
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-rxn:2:124017:158495,CCCC(Nc1cccnc1OC1CCCc2ccccc21)C1CCN(C(C)C2CC2)CC1,ZKHYRFVGWNPWSU-UHFFFAOYSA-N
-rxn:2:124740:160422,COc1ccc(C2CCN(CCNC3CCN(c4ccc(S(C)(=O)=O)cc4)CC3)C2)cc1,ZRKJWKOQWPSJDJ-UHFFFAOYSA-N
-rxn:2:125276:128441,CC(C)(CNC(CCS(=O)(=O)F)C1CC1)SC12CC3CC(CC(C3)C1)C2,FQYSPAKVERPGDB-UHFFFAOYSA-N
-rxn:2:125295:120200,O=S(=O)(F)CC1CC(NCC(F)(F)CN2C3CCC2CC3)C1,LUZLWIQVLAUDGD-UHFFFAOYSA-N
-rxn:2:125690:107710,CCOCC(C)N1CCC(NC(c2ccc(C3CC3)cc2)C2(C)CC2)CC1,VSDBWPIIQVVMOF-UHFFFAOYSA-N
-rxn:2:125690:143033,CCOCC(C)N1CCC(NC(c2ccccc2)c2ccc(N3CCCC3)nc2C)CC1,LDKMEICVCBVPJK-UHFFFAOYSA-N
-rxn:2:125690:155246,CCOCC(C)N1CCC(NC(c2ccccc2)c2cnc(N3CCCCC3)cc2C)CC1,CTPTWKGOFDLUFU-UHFFFAOYSA-N
-rxn:2:125690:157976,CCOCC(C)N1CCC(NC2CCC(c3ccc(-c4ccn(C5COC5)n4)cc3)CC2)CC1,XFZGRWPKIAKRJB-UHFFFAOYSA-N
-rxn:2:125690:164090,CCOCC(C)N1CCC(NC(c2ccccc2)c2cnc(N3CCCC3)cc2C)CC1,XDGGKNAQGHALPD-UHFFFAOYSA-N
-rxn:2:125690:168847,CCOCC(C)N1CCC(NC(c2ccccc2)c2ccc(N3CCCCC3)nc2C)CC1,KLJRMTVKHJHSGM-UHFFFAOYSA-N
-rxn:2:125690:170697,CCOCC(C)N1CCC(NC(c2ccccc2)c2cnc(N3CCCCCC3)cc2C)CC1,HRARXDZHHBBNCN-UHFFFAOYSA-N
-rxn:2:125873:160527,CCCOC1CCC(NC(c2ccc(-c3ccn(C4COC4)n3)cc2)C(C)C2CC2)CC1,XCJLRZBKHWQDSM-UHFFFAOYSA-N
-rxn:2:125911:154391,CC(CCCCn1c(=O)c2nc[nH]c2n(C)c1=O)NC1CCCN(CC2(c3ccccc3)CC2)C1,KKMBGJUTWRYUSP-UHFFFAOYSA-N
-rxn:2:125965:163743,CS(=O)(=O)c1cccc(C(N[C@]23C[C@@]4(C)C[C@](C)(C[C@](C)(C4)C2)C3)C2CCC2)c1,VCWFTLZYYBHEDG-FEAXYEBUSA-N
-rxn:2:126170:150952,CCCC(C(Nc1n[nH]c2cccc(OC3CCCCC3)c12)c1ccc2c(c1)CCC2)N1CCCC1,XHJNSIWVIAZXLH-UHFFFAOYSA-N
-rxn:2:126410:126600,Cc1ccc(C(C)NOCCCN2CCN(C)CC2)c(OS(=O)(=O)F)c1,DGLWHCKORSQSLI-UHFFFAOYSA-N
-rxn:2:126600:132002,Cc1ccc(C(C)NC2CC(C3CCN(C)CC3)C2)c(OS(=O)(=O)F)c1,YMYFNWCCWSLIDD-UHFFFAOYSA-N
-rxn:2:126811:159204,CCC(C)C(CN1CCCN(C)CC1)NC(c1ccc(-c2ccc3oc(=O)[nH]c3c2)cc1)C(C)C,KGTYWRLDCUOVAR-UHFFFAOYSA-N
-rxn:2:126967:171582,CCCC(C(Nc1cnc(OCC2CCCO2)nc1)c1ccc2c(c1)CCCC2)N1CCCC1,IRAMFYJBCNVYIL-UHFFFAOYSA-N
-rxn:2:127012:141873,CCCCC1CCC(c2cc(NC3CCC(c4ccccc4)(N(C)C)CC3)ncn2)CC1,AGHDNMDNIGQUOC-UHFFFAOYSA-N
-rxn:2:127594:126600,Cc1ccc(C(C)NCC2(N3CCC(C)C3)CCN(C)C2)c(OS(=O)(=O)F)c1,IWYBXPHJAICMRJ-UHFFFAOYSA-N
-rxn:2:128257:163481,CCCC(Nc1ccc(-c2cn(CC3(F)CCC3)nn2)cc1)C1CCN(CCC)CC1,DEIIIHGJPNXEGE-UHFFFAOYSA-N
-rxn:2:128540:128940,CCC(CNC1CC(COCc2ccccc2)C12CCC2)c1ncc(C2CCN(C)C2)[nH]1,KZJLPOJNNFFIMI-UHFFFAOYSA-N
-rxn:2:129322:147524,CCc1nc2cc(C(CCN3CCCC3)Nc3ccc(C4CCN(C)CC4)c(OC)c3)ccc2[nH]1,BUZPMCLRMGAWDA-UHFFFAOYSA-N
-rxn:2:129411:81015,CCCN1CCC(Oc2ncc(NC(CC)c3ccc(N4CC[C@H](F)C4)cc3)cn2)CC1,SNCLUKOEKIKHLV-QHELBMECSA-N
-rxn:2:130067:135617,CC(C)(C)[Si](C)(C)OCCn1cc(NC(c2ccc(CN3CCOCC3)cc2)C2CC2)cn1,DIWWWNTUSAQQGW-UHFFFAOYSA-N
-rxn:2:130474:134351,CCCC1CCN(c2cc(CNC(CN3CC3)c3cc(C)c(C)cc3OC)ccn2)CC1,ORPGLNLMTUMJHB-UHFFFAOYSA-N
-rxn:2:130669:74747,CCC(NC1C[C@H]2CC[C@]1(CS(=O)(=O)[O-])C2(C)C)(C(C)C)C12CC3CC(CC(C3)C1)C2,MXACQOGYNFZVJE-OZWFTIFRSA-M
-rxn:2:130769:170697,CCCO[C@H]1CC[C@H](NC(c2ccccc2)c2cnc(N3CCCCCC3)cc2C)CC1,MBPPMDRUMONQEO-MKAXWDIPSA-N
-rxn:2:130931:170293,COc1ccc(C(C)(C)C)cc1-c1ccc2c(c1)CCC2Nc1cc(CC2CCCC2)nn1C1CCC1,DHHDVUXDDZDYEE-UHFFFAOYSA-N
-rxn:2:131120:159007,CCOCc1cccc(-c2ccc(C(C)Nc3cnc(OC4CCCN(C5CC5)C4)nc3)c3c2OCO3)c1,HCYNPKKZCXYLHU-UHFFFAOYSA-N
-rxn:2:131357:137570,CCc1ccc(N2CCC(Nc3ccc(C4CCN(C)CC4)nc3OC(C)C)C(C)C2)cc1,GPGBMPNHWBXTIR-UHFFFAOYSA-N
-rxn:2:132288:170424,CCCOC1CCCN(C2CCCCC2NC(c2ccc(-c3ccc4[nH]ncc4c3)cc2)C(C)C2CC2)C1,VQZQLYAZZCCMOK-UHFFFAOYSA-N
-rxn:2:132829:82094,CCOc1nc(N2CCC(C)CC2)ccc1NC(c1cccc(CN2CCN(C)CC2)c1)C1CC1,MCMYILDXSRHREU-UHFFFAOYSA-N
-rxn:2:133266:137647,CCC1COCCN1C1(CNC(CCC(F)N2CCOCC2)c2ccccc2)CCN(C)CC1,DGUVXPRFAIQJFZ-UHFFFAOYSA-N
-rxn:2:133309:146567,CC(NCC#Cc1cccc(OCCN2CCCC2)c1)n1cc(-c2cnn(C3CCC(=O)CC3)c2)cn1,XVZSDMIPCRSQFO-UHFFFAOYSA-N
-rxn:2:134241:154067,CCCC1CCN(c2[nH]c(C)nc2NC(c2ccccc2CN2CCCC2)c2ccccc2OC)CC1,JIYLTVFFFVZYJA-UHFFFAOYSA-N
-rxn:2:134241:162687,CCCC1CCN(c2[nH]c(C)nc2NC(CN2CCC(C)CC2)c2c(OC)ccc3ccccc23)CC1,NZKVHQPNPDWWAE-UHFFFAOYSA-N
-rxn:2:134257:131786,CCCN1CCCC(c2csc(NC(C)c3cccc(C(F)C4CCN(C)CC4)c3)n2)C1,QQVNFXHQNFQBKL-UHFFFAOYSA-N
-rxn:2:134302:112215,CCOCC1CCN(c2ncccc2NC(c2ccc3c(c2)CCC3)C(CC)N2CCCC2)C1,KYWPMMWQDCCREI-UHFFFAOYSA-N
-rxn:2:134302:73038,CCOCC1CCN(c2ncccc2NC(CC)c2cnc(N3CCN(CC)CC3)cc2C)C1,FOJBAMHWZONIGM-UHFFFAOYSA-N
-rxn:2:134425:144052,CCN1CCC(N(C)C2(CNC(C)c3c(OC)cccc3-c3cnc4[nH]ccc4c3)CCCC2)CC1,MNNBTMUMCCHDRZ-UHFFFAOYSA-N
-rxn:2:136038:150606,CCOC1CCN(c2nc(C)ccc2CNC(CCN2CCCCC2)c2ccc3[nH]c(C)nc3c2)CC1,FDIVABSSYNEVLE-UHFFFAOYSA-N
-rxn:2:136038:94440,CCOC1CCN(c2nc(C)ccc2CNC(CC)c2ccc(N3CCN(C)CC3)nc2)CC1,ZRFUHRAXYCDOBM-UHFFFAOYSA-N
-rxn:2:136268:155490,CCCN1CCC(NC(CN2CCCCC2)c2c(OC)ccc3ccccc23)(c2ncon2)CC1,KAMDKVYGIUFHMF-UHFFFAOYSA-N
-rxn:2:136268:167100,CCCN1CCC(NC(CN2CCC(C)CC2)c2ccc(OC)c3ccccc23)(c2ncon2)CC1,CAXVIDWODBKOMB-UHFFFAOYSA-N
-rxn:2:136656:104349,CCN1CCC(Oc2ccc(C(C)NC3(CCc4ccccn4)CCN(C)CC3)cc2OC)CC1,DWBXHDQUPALMKA-UHFFFAOYSA-N
-rxn:2:136742:142505,CC(=O)c1ccc(C2C(CCSC(C)NCc3c(C)nn(C4CCCCC4)c3C)C2(F)F)nc1,ICOHMRFOPQAFID-UHFFFAOYSA-N
-rxn:2:137455:152573,CCc1nc2cc(C(CN3CC(C)CC(C)C3)Nc3cc(CN4CCCC4)ccc3OC)ccc2[nH]1,HRFTUYXCVFXALH-UHFFFAOYSA-N
-rxn:2:138055:149645,COCc1cccc(-c2ccc(C(C)Nc3cnc(OCC4CCN(C5CC5)CC4)nc3)c3c2OCO3)c1,ZCWAECDNRJIJIO-UHFFFAOYSA-N
-rxn:2:138759:167100,CCN1CCC(COc2ncc(NC(CN3CCC(C)CC3)c3ccc(OC)c4ccccc34)cn2)CC1,LRMRCVCHVGNQMQ-UHFFFAOYSA-N
-rxn:2:140012:172722,COC1CCOC2(CCN(CCCNC(c3ccc(-c4cnc5cc[nH]c5c4)cc3)C(C)C)C2)C1,HCJLCJFZIZQVPF-UHFFFAOYSA-N
-rxn:2:140434:144920,CCCOC1(CNC(C)c2c(-c3cccc(OC(C)C)c3)cn[nH]c2=O)CCC(C)CC1,GIYMUSOPVSYOIZ-UHFFFAOYSA-N
-rxn:2:141808:70424,CCCC1CCC(NC2CCC(N(C)c3ccc4c(c3)OCO4)CC2)(c2ccccc2OC)CC1,WBJBMKGLJJBRPM-UHFFFAOYSA-N
-rxn:2:142062:112215,CCC(C(Nc1cccnc1OCC1CC(C)C1)c1ccc2c(c1)CCC2)N1CCCC1,DFMNPPLOWJYFKC-UHFFFAOYSA-N
-rxn:2:142110:81015,CCC(NC1CCCN(CCCc2c(C)n[nH]c2C)C1)c1ccc(N2CC[C@H](F)C2)cc1,XYDQAXZMWMWKGI-MFNHVEPQSA-N
-rxn:2:147899:70087,CC(C)(C)C(CCN1CCN(C2CC2)CC1)Nc1cc(-c2ccc3c(c2)OCO3)n[nH]c1=O,ZPEOFPHJVTVKGL-UHFFFAOYSA-N
-rxn:2:150952:171582,CCCC(C(Nc1n[nH]c2cccc(OC3CCCCC3)c12)c1ccc2c(c1)CCCC2)N1CCCC1,BJHQESKOSOFDSJ-UHFFFAOYSA-N
-rxn:2:154874:120015,CCCC(C#CN1CCN(C)CC1)NCC1(c2ccc3[nH]c(CC)nc3c2)CCC1,DDVFUSHWAWXNBU-UHFFFAOYSA-N
-rxn:2:158239:109961,CCCC(Nc1cc(C)ccc1Oc1ccc(OC)cc1)C1CCCN(C2CCCC2)C1,IUCYLVFWGCXUKK-UHFFFAOYSA-N
-rxn:2:160741:172545,CCCCSc1nc2[nH]c(=O)cc(NC(C)c3ccc(C(F)(F)C(=N)SC4CCCC4)cn3)n2n1,JKQNMQUMKCJCEL-UHFFFAOYSA-N
-rxn:2:161893:168851,CCc1ccc(OC)c(C(C#CN2CCCC2)Nn2ccc3nc(N4CCOCC4)ncc3c2=O)c1,HMYGZLXPALNCMN-UHFFFAOYSA-N
-rxn:2:165209:85280,CCCO[C@H]1CC[C@@](C)(N2CCC(NCCc3nc(-c4c(C)[nH]c5ccccc45)no3)CC2)CC1,ISRNRRMDEGAWCO-HLTNAHAZSA-N
-rxn:2:165855:79577,COCC(C)(NC(CCN1CCCC(C)C1)c1cccc(C)c1)c1ccc2[nH]c(C3CC3)nc2c1,SPNRTEKKYFXQMC-UHFFFAOYSA-N
-rxn:2:167218:104377,CN1CCCC(N(C)CC(NC(c2ccc3[nH]c(=O)oc3c2)C2CCCN2C)c2ccccc2)C1,LTZQLTDNKQYPNE-UHFFFAOYSA-N
-rxn:2:167267:140897,CCCC(Nc1cc(-n2nccc2C2CCCC2)ccn1)C1CCCN(C(C)C2CC2)C1,QXFDMMKCOYDAND-UHFFFAOYSA-N
-rxn:2:168466:83490,CCCC(C(Nc1noc2cccc(OCC3CCCC3)c12)c1ccc2c(c1)CCO2)N1CCCC1,RXAUZZSKPZHNSK-UHFFFAOYSA-N
-rxn:2:65991:133681,COc1cccc2c1C(Nc1c(C3CCC3)c(C3CC3)nn1C1CCCC1)CC2(C)C,YWEZHYZMYWKMCA-UHFFFAOYSA-N
-rxn:2:66034:171582,CCCC(C(Nc1cnnc(OCC2CC2)c1)c1ccc2c(c1)CCCC2)N1CCCC1,HLWLNJMCMWBNRW-UHFFFAOYSA-N
-rxn:2:66038:82250,CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)F)C(NC1CCC(OS(C)(=O)=O)CC1)C2,BFLBYPPYMBKRCY-UIHSVCCWSA-N
-rxn:2:66209:125286,CN(C)C(C1CCC1)C1CCC(NC2CCCN(C(C)(C)C)C2)CC1,RUNAHRKDNCHSDZ-UHFFFAOYSA-N
-rxn:2:66209:99460,CN(C)C(C1CCCC1)C1CC(NC2CCCN(C(C)(C)C)C2)C1,UYQYKNDGQDNZQB-UHFFFAOYSA-N
-rxn:2:66632:171292,CCC(C)c1ccccc1-c1cc2c(cc1OC)C(Nc1[nH]nc(C3CCOCC3)c1CC(C)C)CC2,MFIRZKUTQLRYNO-UHFFFAOYSA-N
-rxn:2:66994:112215,CCOCC1CCCCN1c1ncccc1NC(c1ccc2c(c1)CCC2)C(CC)N1CCCC1,HUBBXRAPBJIXQX-UHFFFAOYSA-N
-rxn:2:67096:104553,CCCO[C@H]1CC[C@](C)(N2CCC(NC(c3ccccc3)c3noc(C4CC4)n3)CC2)CC1,MCESEAZUORIULP-GHXKMVPHSA-N
-rxn:2:67096:85280,CCCO[C@H]1CC[C@@](C)(N2CCC(NC(c3ccccc3)c3noc(C4CC4)n3)CC2)CC1,MCESEAZUORIULP-DLIWFQJXSA-N
-rxn:2:67412:81050,CC(C)C12CC(CNC3C[C@H]4CC[C@]3(CS(=O)(=O)F)C4(C)C)(C1)C2,UETKULXCQJBUMG-VFGVRPCCSA-N
-rxn:2:67412:87625,CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)F)C(NCCN=S(C)(C)=O)C2,KZGUUCSXDIPCMJ-YXHCSQSYSA-N
-rxn:2:67489:73328,CCCCC(NC(c1ccccc1CN1CCN(C)CC1)C1CCCC1)c1nc2cc(C)ccc2[nH]1,MVLPGGSPSIMXNU-UHFFFAOYSA-N
-rxn:2:67534:115389,CCC(C(Nc1nccnc1OCCC1CCCCC1)c1ccc2c(c1)CCCC2)N1CCCC1,IHWUQFGJWDODLR-UHFFFAOYSA-N
-rxn:2:67570:132787,CCOc1ccc(C(C)NC2CN(C)CC2c2ccccn2)cc1OC1CCN(C)CC1,XCVJMAARIDXSDL-UHFFFAOYSA-N
-rxn:2:68021:109579,CCCCC1CCC(c2cc(NC(C)c3cnccc3OCC3CCCO3)[nH]n2)CC1,WBJUQINODGQITK-UHFFFAOYSA-N
-rxn:2:68042:90187,CCn1nc(NC(c2ccc(OC)cc2)C(C)N(C)C2CC2)cc1CN1CCOCC1,OEZNVDZTKDDNRC-UHFFFAOYSA-N
-rxn:2:68151:130687,CS(=O)(=O)c1cccc(C2CC2CCNC2CC3CCC(C2)N3C2CCCC2)c1,SLPASNGMRSWSMY-UHFFFAOYSA-N
-rxn:2:68151:135212,CS(=O)(=O)c1ccc(C2CC2CCNC2CC3CCC(C2)N3C2CCCC2)cc1,FGBXBNGRCVYDCL-UHFFFAOYSA-N
-rxn:2:68214:126600,Cc1ccc(C(C)NCCOCC2CCN(C)CC2)c(OS(=O)(=O)F)c1,VJMBAPYKHIJMGY-UHFFFAOYSA-N
-rxn:2:68414:91416,CC1(C)C2CCC1(CS(=O)(=O)F)C(NOCCC1CC1)C2,VOZZTNKTAPBUAZ-UHFFFAOYSA-N
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-rxn:2:68654:167940,COc1cccc(CCC(NC2CCN(C3CCC(OC)CC3)CC2)c2ccc3c(c2)OCO3)c1,HLNHMSNWUDFQBH-UHFFFAOYSA-N
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-rxn:2:68880:143973,CS(=O)(=O)C1(c2cccc(CNC3CCN(C4=NS(=O)(=O)c5ccccc54)CC3)c2)CC1,QOOAXVSECUPWQU-UHFFFAOYSA-N
-rxn:2:69356:71645,CCC(C(Nc1cccc2c1CCN(C(C)CCOC)C2)c1ccccc1)N1CCOCC1,WECOVGLPGYTAMW-UHFFFAOYSA-N
-rxn:2:69438:117066,CC(NC12CC(N3CCN(C)CC3)(C1)C2)c1ccc(OS(=O)(=O)[O-])cc1,IYNSCSWCNQMSKT-UHFFFAOYSA-M
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-rxn:2:69553:143973,CN1CCC(Oc2ccc(CNC3CCN(C4=NS(=O)(=O)c5ccccc54)CC3)nn2)CC1,JQYFNJIDMVTVCB-UHFFFAOYSA-N
-rxn:2:69826:141610,CC(NCC(C1C2CC3CC(C2)CC1C3)N(C)C)c1ccc(S(=O)(=O)[O-])cc1,ULBXYDOYYLMLMC-UHFFFAOYSA-M
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-rxn:2:70529:117066,COC1CCN(CC#CCNC(C)c2ccc(OS(=O)(=O)[O-])cc2)CC1,WFUJIDQUZMIPGE-UHFFFAOYSA-M
-rxn:2:70578:85115,CCS(=O)(=O)OCC1CCC(NCCC(C)SC23CC4CC(CC(C4)C2)C3)C1,QTXPWZBJEANRGY-UHFFFAOYSA-N
-rxn:2:70683:115744,COCc1cc(OS(=O)(=O)F)ccc1NC1CCN(C2(c3ccccc3OC)CC2)CC1,ZBOCTNWHCRTTCU-UHFFFAOYSA-N
-rxn:2:70683:121694,COCc1cc(OS(=O)(=O)F)ccc1NCC1CCCN1CCN(C)C,MCOJJNUAFWPAKY-UHFFFAOYSA-N
-rxn:2:70685:120200,O=S(=O)(F)C1CC(NCC(F)(F)CN2C3CCC2CC3)C1,FRDJSFRNHMEDNK-UHFFFAOYSA-N
-rxn:2:70685:123990,O=S(=O)(F)C1CC(NCCO[Si]23OCCN(CCO2)CCO3)C1,PBSLQHQYJOSPQH-UHFFFAOYSA-N
-rxn:2:71423:135747,CC(CCCN1CCN(C2CC2)CC1)Nc1ccc(OCC2CC(F)C2)nc1,SRMXUMSPCPDNJW-UHFFFAOYSA-N
-rxn:2:71901:112215,CCOCC1CCCN1c1ncccc1NC(c1ccc2c(c1)CCC2)C(CC)N1CCCC1,LWOZHTGMDGNDIF-UHFFFAOYSA-N
-rxn:2:71988:83490,CCCC(C(Nc1cccnc1OCC1CCN(C)CC1)c1ccc2c(c1)CCO2)N1CCCC1,VZOGZUGOYHERIP-UHFFFAOYSA-N
-rxn:2:72157:149807,CCCN1CCN(C2(CNC(c3ccc(-c4nc5nc[nH]c5c(=O)[nH]4)cc3)C(C)C)CCOCC2)CC1,IKRGKEVGEKHXOZ-UHFFFAOYSA-N
-rxn:2:72383:120784,CCOCC1CCN(c2ccccc2NC(c2cnc(C3CC3)nc2OC)C(C)C)CC1,YPUVPIRILRDCEH-UHFFFAOYSA-N
-rxn:2:72383:96507,CCOCC1CCN(c2ccc(NC(c3cnc(C4CC4)nc3OC)C(C)C)cn2)CC1,ATZPQIANIQHPRS-UHFFFAOYSA-N
-rxn:2:72390:71152,CCOC1CCN(CC(NCCn2cnc(C3CCCC3)cc2=O)c2ccccc2)CC1,CWPIRLCDDWWQAR-UHFFFAOYSA-N
-rxn:2:72614:114770,CCCC(Nc1ccc(O[Si](C)(C)C)cc1)C1CCCCN1C1CCC1,DUPXGQRJUOFHRI-UHFFFAOYSA-N
-rxn:2:72615:83584,CC(NC(c1ccccn1)C1CCN(C)CC1)c1cnccc1OCCN1CCCCC1,LWNCASOZHIISMY-UHFFFAOYSA-N
-rxn:2:72660:95892,COc1cccc(C(CCN2CCOCC2)Nc2ncc(S(=O)(=O)C3CC3)cc2OC)c1,VEVDDUJCCJTNFW-UHFFFAOYSA-N
-rxn:2:73568:147524,CCc1nc2cc(C(CCN3CCCC3)Nc3cc(CN(C)C4CCN(C)CC4)ccn3)ccc2[nH]1,ZOXJGRRMZYQRFO-UHFFFAOYSA-N
-rxn:2:74525:143784,CCC(NC1(c2ncc[nH]2)C(C)(C)CCC1(C)C)c1ccc2oc(=O)c(=O)n(OCC(C)C)c2c1,KWLCKKXJPGFRNF-UHFFFAOYSA-N
-rxn:2:74747:119542,CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)[O-])C(NCC13CC4CC(F)(CC(F)(C4)C1)C3)C2,AYYPYAJCZWWVJE-YBRJQHIESA-M
-rxn:2:74747:96826,CC1(C)CC(CNC2C[C@H]3CC[C@]2(CS(=O)(=O)[O-])C3(C)C)(C23CC4CC(CC(C4)C2)C3)C1,GXCDXLUVHAVKJK-QBFQTOIUSA-M
-rxn:2:74845:147496,CCCC1CC(C(NC(C)(C)CCc2nccc(C3CCN(C)C3)n2)c2nc3ccccc3o2)C1,GCUPOVPOOLSYEL-UHFFFAOYSA-N
-rxn:2:74990:171582,CCCC(C(Nc1n[nH]c2cc(OC3CCCC3)ccc12)c1ccc2c(c1)CCCC2)N1CCCC1,SDIPGYLOEVVJJF-UHFFFAOYSA-N
-rxn:2:75011:126600,Cc1ccc(C(C)NCC23CCCN2CC(F)(F)C3)c(OS(=O)(=O)F)c1,HJZDLVGJQCZKOH-UHFFFAOYSA-N
-rxn:2:75130:135127,CCOCC1CCN(c2ncccc2NC(C)c2cnc(N3CCN(C)CC3)nc2C)CC1,NSRNLOSNYMUVLO-UHFFFAOYSA-N
-rxn:2:75173:127484,CCC1(OC)CCC(NC2(c3cccc(C4CCOCOC4)c3)CC2)CC1,ZUXRPKMRYRUTII-UHFFFAOYSA-N
-rxn:2:75663:155396,CC(=O)c1ccc(C2C(CSC(C)NCC3(c4cccs4)CCN(C)C(C)(C)C3)C2(F)F)nc1,HRELIZJQSOYKOX-UHFFFAOYSA-N
-rxn:2:75968:163119,CC(CCCCn1cnc2c1c(=O)n(C)c(=O)n2C)NC1(Cc2cccnc2)CCC(F)(F)CC1,JTBOAZKNJCLRCO-UHFFFAOYSA-N
-rxn:2:76069:126600,CCN(CCNC(C)c1ccc(C)cc1OS(=O)(=O)F)C1CCSCC1,MWUVFFJIBWFBSN-UHFFFAOYSA-N
-rxn:2:76117:88564,CC12COC3(S(=O)(=O)[O-])C1CCC2(C)C3NC12CC3CC(F)(CC(F)(C3)C1)C2,FJHQUARJVKGXIG-UHFFFAOYSA-M
-rxn:2:76532:164028,C=C=Cc1ccc(C(NCCCN2CCC3(CC2)CC(OC)CCO3)c2ccccn2)cc1,KFSRVONYVVDWHI-UHFFFAOYSA-N
-rxn:2:76532:173165,COC1CCOC2(CCN(CCCNC(c3ccc(OC(C)C)cc3)c3cnc4ccccc4c3)CC2)C1,QPRDWKIMNWXLAM-UHFFFAOYSA-N
-rxn:2:76532:77195,COC1CCOC2(CCN(CCCNC(c3ccc(OC(C)C)cc3)c3ncco3)CC2)C1,JTLGYTLTIYACPJ-UHFFFAOYSA-N
-rxn:2:76707:126600,Cc1ccc(C(C)NCC2(C3CCN(C)CC3)COC2)c(OS(=O)(=O)F)c1,SNTAPMSFIDWXKP-UHFFFAOYSA-N
-rxn:2:77839:154363,CCOc1ccc2c(c1)C(NC(c1ccc3c(c1)CCCCO3)c1sccc1OC)CC1(CCCC1)O2,QSHBPPDVDILCSX-UHFFFAOYSA-N
-rxn:2:77894:154882,CCOC1CCN(Cc2ccc(C)c(NC3CCN(c4nc(-c5ccccc5)nc(C)c4CC)CC3)c2)CC1,BSYUYFLSEWZTDC-UHFFFAOYSA-N
-rxn:2:77894:166525,CCOC1CCN(Cc2ccc(C)c(NC(C)c3c(N4CCOCC4)[nH]c4c(C)c(C)ccc34)c2)CC1,IHJVHDOLJPSCBN-UHFFFAOYSA-N
-rxn:2:77894:167688,CCOC1CCN(Cc2ccc(C)c(NC(C)c3ccc(-c4cnc(N5CCOCC5)nc4)cc3C)c2)CC1,MXAHQKZQNCYXDH-UHFFFAOYSA-N
-rxn:2:77927:84015,CC1(C)C2CC[C@]1(CS(=O)(=O)[O-])C(NOCC1(F)CCC1)C2,DEKMJZAGEGKDBV-QOZQQMKHSA-M
-rxn:2:78034:84594,CN(C)C1CCC(NC2CCC(N(C)C(C)(C)C)CC2)C1,TZXJWANVINNNOU-UHFFFAOYSA-N
-rxn:2:78259:123810,CCC(NCC1CCN(C(C)c2ccccc2OC)C1)c1cnc(N2CCOCC2)c(C)c1,SPRMZEZQQCQIJO-UHFFFAOYSA-N
-rxn:2:78540:78304,CCCOc1nc(N2CCCC(C)C2)ccc1NC(c1ccccn1)C1CCN(C)CC1,LXXBOKQWXZFQPN-UHFFFAOYSA-N
-rxn:2:78888:163067,CCCN1CCC(C)N(C)C(CCNC(c2ccc(-c3nc4ccsc4c(=O)[nH]3)cc2)C(C)C)C1,CBPHUQPXBZRIMU-UHFFFAOYSA-N
-rxn:2:79183:126600,COc1ccc(NC(C)c2ccc(C)cc2OS(=O)(=O)F)cc1C1CCN(C2CC2)CC1,UTUZMZVZILFBJP-UHFFFAOYSA-N
-rxn:2:79223:126600,Cc1ccc(C(C)NCCN(C2CC2)C2CCCN(C)C2)c(OS(=O)(=O)F)c1,USWZJBNOLVMASA-UHFFFAOYSA-N
-rxn:2:79527:149130,CCc1nc2cc(C(CCN3CCCCC3)NC3CCCN(Cc4ccccc4OC)C3)ccc2[nH]1,KWQQFWOVYAXHRI-UHFFFAOYSA-N
-rxn:2:79966:159007,CCOCc1cccc(-c2ccc(C(C)NC3(c4nccc(C5CCCN(C)C5)n4)CC3)c3c2OCO3)c1,XIVDZUJDWDKDIO-UHFFFAOYSA-N
-rxn:2:80030:133491,CCC1CCN(C(C)C(Nc2ccc(OCC3(CC)CCCC3)nc2)c2ccccc2)CC1,LBFQTVAZCXFCII-UHFFFAOYSA-N
-rxn:2:80048:85544,CCOc1ccc(C(C)NC(C)(C)C#Cc2ccc(OC)cn2)cc1CN1CCOCC1,FFOSNJXSAPRJIS-UHFFFAOYSA-N
-rxn:2:80114:107310,CN1CCCC1c1n[nH]c2c1C(N[C@@H](c1ccc(O[Si](C)(C)C)cc1)C1CCC1)CCC2,UXYNOFWVLIUTRW-LQOCYXTFSA-N
-rxn:2:80298:154511,Cc1c2c(nn1COCC[Si](C)(C)C)C(N[C@H](c1ccc3ccccc3n1)C1CCOCC1)CC2,KSEUKVHZVXEFHM-GEVKEYJPSA-N
-rxn:2:80312:146141,CCOC1CCCN(C2(CNC(C)c3cc(OC)ccc3-c3cccc4cn[nH]c34)CCOCC2)C1,QYNDBHPXLQKYSE-UHFFFAOYSA-N
-rxn:2:80372:149130,CCc1nc2cc(C(CCN3CCCCC3)Nc3cc(C)ccc3N3CCN(C)CC3)ccc2[nH]1,MJKDTDACWZEFMR-UHFFFAOYSA-N
-rxn:2:81416:141891,COc1cc(NC(c2ccc(C)c(C(C)(C)C)c2)C2CCCCC2)ccc1OCC1CCCCC1,CRMMKKRUDFIJJC-UHFFFAOYSA-N
-rxn:2:83038:171582,CCCC(C(Nc1ccc(OCC2CCCCO2)nc1)c1ccc2c(c1)CCCC2)N1CCCC1,PSVLEQYNSBZZDJ-UHFFFAOYSA-N
-rxn:2:83501:141891,Cc1ccc(C(Nc2cc(C3CCCCC3)nn2C)C2CCCCC2)cc1C(C)(C)C,HMACPOMFACVHCB-UHFFFAOYSA-N
-rxn:2:83900:127430,CCCCC1CC(C(NC2c3ccccc3CCC2N(C)C2CC2)c2ccnn2C)C1,ULGJQKBLICPSHJ-UHFFFAOYSA-N
-rxn:2:84015:102457,CC(CCC12CC3CC(CC(C3)C1)C2)(NC1CC2CC[C@@]1(CS(=O)(=O)[O-])C2(C)C)C1CC1,ZARWFTGQIKORTD-ZEOOIANDSA-M
-rxn:2:84015:126412,CC1(C)C2CC[C@]1(CS(=O)(=O)[O-])C(NCCCSC13CC4CC(CC(C4)C1)C3)C2,VQBHUUROCVJONP-LNHYMDRVSA-M
-rxn:2:84395:126600,Cc1ccc(C(C)NCCCN2CCCN(C)CC2)c(OS(=O)(=O)F)c1,GPUXCERZQQJJBA-UHFFFAOYSA-N
-rxn:2:84530:126600,Cc1ccc(C(C)NC23CCC(CN(C)C)(CC2)CC3)c(OS(=O)(=O)F)c1,FJVPXLQWEKXLFQ-UHFFFAOYSA-N
-rxn:2:84594:140639,CN(C)C1CCC1NC1CCC(N(C)C(C)(C)C)CC1,WJNARTSKRBFKJW-UHFFFAOYSA-N
-rxn:2:84594:99349,CN(C)C1CCC(CNC2CCC(N(C)C(C)(C)C)CC2)CC1,KOUDPRMLITVZGU-UHFFFAOYSA-N
-rxn:2:84946:86839,CC(CCN(C)C1CCN(C)CC1)NCc1ccc(OS(=O)(=O)F)cc1,NSMGGAGQNBYUAW-UHFFFAOYSA-N
-rxn:2:84946:98788,CCC(CN(C)C1CCN(C)CC1)NCc1ccc(OS(=O)(=O)F)cc1,ACZIGFLDLJHBEP-UHFFFAOYSA-N
-rxn:2:84982:168975,CCCn1ccnc(N2CCC(NC(c3cccc(CN4CCCC4)c3)c3c(C)cccc3C)CC2)c1=O,WNYOVSBOPLMKGC-UHFFFAOYSA-N
-rxn:2:85050:102793,CC(CC(C)(C)S(=O)(=O)c1cccs1)NC1CC2CCC(C1)N2C1CCCC1,XEMFFINAZOXEDS-UHFFFAOYSA-N
-rxn:2:85768:143119,COCc1cc(=O)[nH]c(N2CCC(NC(c3cccc(CN4CCCC4)c3)c3ccccc3OC)CC2)n1,OSZJFIKFFRFFLO-UHFFFAOYSA-N
-rxn:2:85768:165457,COCc1cc(=O)[nH]c(N2CCC(NC(c3cccc(OC)c3)c3ccccc3CN3CCCC3)CC2)n1,HUWLGHNWGMNFRG-UHFFFAOYSA-N
-rxn:2:85828:82250,CC(CNC1C[C@@H]2CC[C@@]1(CS(=O)(=O)F)C2(C)C)(C1CC1)C1C2CC3CC(C2)CC1C3,PALVJWNIKYLIOA-WGNHWMOCSA-N
-rxn:2:86779:150884,CCOC1(CNC(c2ccc(OC)cc2)c2c[nH]c(C(=O)/N=C/N(C)C)c2)CN(C)C1,HFWRJDOMCUVOFV-WGOQTCKBSA-N
-rxn:2:87038:169450,CCC(C)c1ccccc1-c1cnn(C2CCC(Nc3cccc(C4(OC)CCOC4)c3OC)CC2)c1,MHFYHHLOQPIKFM-UHFFFAOYSA-N
-rxn:2:87482:131786,CCCN1CCC(n2cc(NC(C)c3cccc(C(F)C4CCN(C)CC4)c3)nn2)CC1,VZSRHHTWZSEHNH-UHFFFAOYSA-N
-rxn:2:87906:163013,COc1c(C(NC2CCC(N3CC[C@H](OC)C3)CC2)c2ccccc2)ccc2c1OCO2,MJQPXAOEEJCECS-ATCWGPEFSA-N
-rxn:2:88173:169450,CCc1cc(NC2CCC(n3cc(-c4ccccc4C(C)CC)cn3)CC2)c(OC)cc1N1CCC(C)CC1,MBGOVTZNFXLYNM-UHFFFAOYSA-N
-rxn:2:88287:109800,CCC(C(NC[C@@]12CCCN1C[C@@H](OC)C2)c1ccccc1)N1CCCOCC1,BMPOQIKHUZYGJH-UBEQRZCFSA-N
-rxn:2:88564:90762,CN1CC2CCCCC(CNC3C4(C)CCC5C4(C)COC53S(=O)(=O)[O-])(C1)C2(F)F,NFYWEXJRKVPFIX-UHFFFAOYSA-M
-rxn:2:88919:149426,CC(NCCCC1(C)N=N1)SCCC#Cc1ccc(C(=O)C2CC2)cc1,QLRQRGCPFKISDP-UHFFFAOYSA-N
-rxn:2:89462:95673,CCS(=O)(=O)C1(CNC(c2cccc(CN3CCC3)c2)C2CC2)CCC1,YPPATXMCTQZOGG-UHFFFAOYSA-N
-rxn:2:89592:137022,CCC(NC1CCN(c2ncccc2OC)C1)c1cnc(N2CCN(C(C)C)CC2)c(C)c1,KJHDYQWXAPXQNQ-UHFFFAOYSA-N
-rxn:2:89864:98895,COc1ccc(OC(C)C)cc1C(Nc1ccc2c(c1)OCC(OC)CO2)C1CCCCC1,NRQVJOQKPUKINF-UHFFFAOYSA-N
-rxn:2:90147:105790,CN(C)C(C)(CNC(c1ccc(S(=O)(=O)F)cc1)C1CC1)C1C2CC3CC(C2)CC1C3,BCQBIDMJNSDXNM-UHFFFAOYSA-N
-rxn:2:90524:148296,CS(=O)(=O)c1ccc(C2CCC(NCCSC34CC5CC(CC(C5)C3)C4)CC2)cc1,CUSRGGYMXFHZHL-UHFFFAOYSA-N
-rxn:2:90617:117066,CC(NCCN1CCC(CN(C)C)CC1)c1ccc(OS(=O)(=O)[O-])cc1,ODTUHXXVRMOWQO-UHFFFAOYSA-M
-rxn:2:90619:168769,CC(CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)NC1(Cc2ccccn2)CCC(F)(F)CC1,SKJVPKVWDYKWJF-UHFFFAOYSA-N
-rxn:2:91110:141891,Cc1cc(C)cc(OCC2(NC(c3ccc(C)c(C(C)(C)C)c3)C3CCCCC3)CC2)c1,XFDHIVITPASMNO-UHFFFAOYSA-N
-rxn:2:91203:83584,CCC1CCCCN1c1nc(C)ccc1NC(C)c1cnccc1OCCN1CCCCC1,ZDFUQEVTDGHQNF-UHFFFAOYSA-N
-rxn:2:91416:123090,CC1(C)C2CCC1(CS(=O)(=O)F)C(NCC1(F)CC1)C2,SXCWDSVJRHNKEZ-UHFFFAOYSA-N
-rxn:2:91681:126600,Cc1ccc(C(C)NCC2CN(C)CCN2CCC2CSC2)c(OS(=O)(=O)F)c1,WGXCHNMCFWKBTA-UHFFFAOYSA-N
-rxn:2:91713:118720,CCCCN1CCCCC1c1cccnc1NC(c1ccc(CN2CCCCC2)cc1)C1CCCC1,HUEYSBCMOHBROZ-UHFFFAOYSA-N
-rxn:2:91713:122754,CCCCN1CCCCC1c1cccnc1NC(c1ccc(C)cc1)C(C)CN1CCCCC1,DUBMPRCPLWCJLI-UHFFFAOYSA-N
-rxn:2:92094:147524,CCc1nc2cc(C(CCN3CCCC3)NCC3(c4ncc(C5CCN(C)C5)[nH]4)CC3)ccc2[nH]1,TUUVUDKPAFAGKA-UHFFFAOYSA-N
-rxn:2:92118:147524,CCc1nc2cc(C(CCN3CCCC3)NCC3CN(C)CCCN3c3ccccc3OC)ccc2[nH]1,BVVAMUPGZNNZJL-UHFFFAOYSA-N
-rxn:2:92118:149130,CCc1nc2cc(C(CCN3CCCCC3)NCC3CN(C)CCCN3c3ccccc3OC)ccc2[nH]1,AXDIRGLBOVJEKA-UHFFFAOYSA-N
-rxn:2:92133:66035,CCCC(Nc1ccc(C)cc1OC1CCCC(C)C1)c1ccc(C2CCCCC2)cc1,KHBRGQGVDBZKFZ-UHFFFAOYSA-N
-rxn:2:92825:113149,CCCCN1CCC(c2ccc(NC(COC3CCCCCC3)c3ccc(C)cc3)cc2)C1,KXOCNIJJWNDHNR-UHFFFAOYSA-N
-rxn:2:93123:163656,COc1ccc2[nH]cc(C(NCC(C)(C)C3(c4cc(C)ccc4OC)COC3)C3CCCCC3)c2c1,SBCYVYYVPXDIBS-UHFFFAOYSA-N
-rxn:2:93567:71174,CCCC(Nc1c(C)cccc1OCCC1CCCCC1)C1CCCCC1,DGAZHITYYUFCTO-UHFFFAOYSA-N
-rxn:2:94006:149645,COCc1cccc(-c2ccc(C(C)Nc3cnc(OCC4CCCN(C5CC5)C4)nc3)c3c2OCO3)c1,IKQKSOVOQDKDGE-UHFFFAOYSA-N
-rxn:2:94006:171292,CCC(C)c1ccccc1-c1cc2c(cc1OC)C(Nc1cnc(OCC3CCCN(C4CC4)C3)nc1)CC2,YREJCPDUPMKRRJ-UHFFFAOYSA-N
-rxn:2:94196:123308,C=C=Cc1ccc(C(NC[C@]23CCCN2C[C@H](OC)C3)C(C)C2CC2)cc1,QYHZSGUSOOLCNQ-KCROBBERSA-N
-rxn:2:94416:125295,O=S(=O)(F)CC1CC(NCC23C4CC(CC42)C3(F)F)C1,XQSMKGITLFBNJE-UHFFFAOYSA-N
-rxn:2:94751:107310,CCC(N[C@@H](c1ccc(O[Si](C)(C)C)cc1)C1CCC1)C1=NCCCC1,LTHPMEMMQQTUFW-LWMIZPGFSA-N
-rxn:2:95048:137912,CC(=O)c1cn([C@H]2C[C@H](CSC(C)NCCCN3CCC(F)(F)CC3)C2)nn1,DFXWNXBIJWBDNG-ATBAIXNZSA-N
-rxn:2:95596:151596,CC(CCCCn1c(=O)c2ncn(C)c2n(C)c1=O)Nc1ccc(OCC2CCC(F)(F)CC2)nc1,FKRLLZDYHXYDIR-UHFFFAOYSA-N
-rxn:2:96182:120191,CC1CC(C)(C)CC(Cc2cccs2)(NC2CC3(CC(COCc4ccccc4)C3)C2)C1,MRDNVFKMWZZQQR-UHFFFAOYSA-N
-rxn:2:96507:141711,CCOCC1CCN(c2ccc(NC(CC)c3cnc(N4CCN(CC)CC4)c(C)c3)cn2)CC1,SWAFXZSBBCKCAV-UHFFFAOYSA-N
-rxn:2:96509:80575,CC(=O)c1ccc(C#CCCSC(C)NCCCc2nccc(C3CCOCC3)n2)nc1,HQAYMFLMHVAYCX-UHFFFAOYSA-N
-rxn:2:96786:126600,Cc1ccc(C(C)NCC(C)N(C)C2CCCCC2)c(OS(=O)(=O)F)c1,JGWUSXITUSPPJE-UHFFFAOYSA-N
-rxn:2:96875:70434,CC1CCN(CCOc2cccc(NC3CC(CCS(C)(=O)=O)C3)c2)CC1,FNYOHYLPOZFKLR-UHFFFAOYSA-N
-rxn:2:97050:109782,CC(C)c1cc(C(Nc2ccc(OCCOC(C)(C)C)nn2)C2CC2)cc2c1OCCCC2,ATFRFKJABSQMRR-UHFFFAOYSA-N
-rxn:2:97227:148738,CCOCC1CCCN(c2ccc(NC(c3ccccc3)c3cnc(N4CCN(C)CC4)cc3C)cn2)C1,WYGLGSZSWAZMIG-UHFFFAOYSA-N
-rxn:2:97473:126600,Cc1ccc(C(C)N[C@H]2COC[C@@H]2N2CCN(C)CC2)c(OS(=O)(=O)F)c1,YNIGMRASPNFWSG-HGVHAKBWSA-N
-rxn:2:97746:166768,CCCOC1CCC(N2CCC(NC(C)c3ccc(-c4cccc5cn[nH]c45)cc3C)CC2)CC1,JFTSZVYCLXNYAQ-UHFFFAOYSA-N
-rxn:2:97926:145705,CC(C)CN1CC(C)N(C)C(CCNC(c2ccc(-c3cnc4[nH]c(=O)[nH]c4c3)cc2)C(C)C)C1,YFUZSOAXZUPPHL-UHFFFAOYSA-N
-rxn:2:98164:126600,Cc1ccc(C(C)NCC2(S(=O)(=O)C3CCCCC3)CC2)c(OS(=O)(=O)F)c1,SAMDIFMQXZPLJA-UHFFFAOYSA-N
-rxn:2:98257:160547,CC(C)C(CNC(Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccc[nH]1)CN1CCC(F)(F)CC1,IBYDRIKVFCAUAU-UHFFFAOYSA-N
-rxn:2:98703:126600,Cc1ccc(C(C)NCCN(C2CC2)C2CCN(C)CC2)c(OS(=O)(=O)F)c1,PYFVPXVOGQZIFH-UHFFFAOYSA-N
-rxn:2:98733:112215,CCC(C(Nc1cccnc1OCC1CCCCC1)c1ccc2c(c1)CCC2)N1CCCC1,HQXZBZGHRPFXAA-UHFFFAOYSA-N
-rxn:2:98733:83490,CCCC(C(Nc1cccnc1OCC1CCCCC1)c1ccc2c(c1)CCO2)N1CCCC1,FSCSGDCCCDSWMP-UHFFFAOYSA-N
-rxn:2:99024:152258,CCC(NCCN1CCC(C)(COC)CC1)c1cccc(-c2cnc(N3CCOCC3)nc2)c1,OHSKJNUIAYIKRS-UHFFFAOYSA-N
-rxn:2:99698:126170,CCCC(C(Nc1cnccc1OCC1CCOC1)c1ccc2c(c1)CCC2)N1CCCC1,YYKPJUMAXUIBAS-UHFFFAOYSA-N
-rxn:2:100289:134932,CC(C(N[C@H]1CC[C@](C)(F)CC1)c1ccc2c(c1)OCO2)N1CCCC1,PELBBTDGDNTUJU-JCRARXBASA-N
-rxn:2:100331:144237,CC(=O)c1cncc(C2C(CSC(C)Nc3c(C4CCCC4)cnn3C(C)C3(C)CC3)C2(F)F)c1,PSACLSDIRDCXNQ-UHFFFAOYSA-N
-rxn:2:100508:126170,CCCC(C(Nc1ccc(OCC2CCC2C)nc1)c1ccc2c(c1)CCC2)N1CCCC1,IMECSZHJAPIBFZ-UHFFFAOYSA-N
-rxn:2:100822:143818,CC(CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)NC1CCN(C)C(c2cc3c(cn2)CCN3C)C1,RKMREGMOCAYELG-UHFFFAOYSA-N
-rxn:2:100869:155396,CC(=O)c1ccc(C2C(CSC(C)NCC3(CN(C)C)CCCC3)C2(F)F)nc1,ZAZWXQWVIDORPK-UHFFFAOYSA-N
-rxn:2:101390:171582,CCCC(C(Nc1ncccc1OCC1CCC1C)c1ccc2c(c1)CCCC2)N1CCCC1,ZWZSLEJPWXQTBA-UHFFFAOYSA-N
-rxn:2:101607:168561,CC(NC(C#CN1CCCCC1)c1ccc2[nH]c(=O)[nH]c2c1)C(c1ccccc1)N1CCN(C)CC1,QFELFZRCVGQTKF-UHFFFAOYSA-N
-rxn:2:101873:143818,CC(CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)NC1CCN(c2cc(C3CCOCC3)ncn2)C1,QEKNUTNKLQCJMQ-UHFFFAOYSA-N
-rxn:2:103198:139138,CSc1ccc(C2(NC3CC4CCC3(CS(=O)(=O)[O-])C4(C)C)COC2)cc1,GBDFVSFXNSHVEF-UHFFFAOYSA-M
-rxn:2:103855:168480,CC1(C)C2CC(Nc3ccc(S(=O)(=O)N=S(C)(C)=O)cc3)C3(CC3)C1C2,PCBOWAKPSIRIPA-UHFFFAOYSA-N
-rxn:2:104800:142605,CC(C)C(NCC12CN(C)CC(CN(C(C)C)C1)C2(F)F)c1c[nH]c2ncnn2c1=O,ZKJZTKIDTXRTKM-UHFFFAOYSA-N
-rxn:2:104817:155396,CC(=O)c1ccc(C2C(CSC(C)NCC3(Sc4nnnn4C)CCCC3)C2(F)F)nc1,FINGSTJRWITIAW-UHFFFAOYSA-N
-rxn:2:105086:119888,CCC(C(N[C@H]1CC[C@@H](CN2CC(C)(F)C2)CC1)c1cccs1)N1CCCC1,FREXGHRBOFTNMZ-SYURHXKASA-N
-rxn:2:105790:116257,CC(NCC(C)(C1C2CC3CC(C2)CC1C3)N(C)C)SC1CC(=O)C1,BUTTVJUDWZFEIU-UHFFFAOYSA-N
-rxn:2:105954:144237,CC(=O)c1cncc(C2C(CSC(C)Nc3cc(C4CCC4)nn3C(C)C3(C)CC3)C2(F)F)c1,OBLSDRSOOCXWRS-UHFFFAOYSA-N
-rxn:2:106004:142268,COC1CCC(NC(C#CN2CCOCC2)c2ccc3c(c2)OCO3)C(OC)C1,HKEWNJIXAHFELW-UHFFFAOYSA-N
-rxn:2:106436:142070,CC(C)c1c[nH]c(C(C)NCC23CC4CC(C2)CC(N(C)C)(C4)C3)n1,QPIBHRBHIVYHAA-UHFFFAOYSA-N
-rxn:2:106485:125775,COc1ccc(OC)c(C(CC2=NCCO2)NCCn2cnnc2C2CC(F)(F)C2)c1,GJASREKHYHNKEC-UHFFFAOYSA-N
-rxn:2:106861:144237,CC(=O)c1cncc(C2C(CSC(C)Nc3c(C4CCC4)cnn3CC(C)(C)C)C2(F)F)c1,VGJWFOUJNBQPCL-UHFFFAOYSA-N
-rxn:2:107769:155396,CC(=O)c1ccc(C2C(CSC(C)Nc3cncnc3OCC3(C)COC3)C2(F)F)nc1,NNWNFLRJUOVWLK-UHFFFAOYSA-N
-rxn:2:107774:130197,CCC(NC1CC2CCN(C3CC3)c3cccc1c32)c1ccc(N2CCN(C)CC2)nc1C,YJAFGWUVFGSQTQ-UHFFFAOYSA-N
-rxn:2:108613:139138,CC(C)(C)C(CNC1CC2CCC1(CS(=O)(=O)[O-])C2(C)C)C1C2CC3CC(C2)CC1C3,KOJPNIVDQDTQTF-UHFFFAOYSA-M
-rxn:2:108613:84015,CC(C)(C)C(CNC1CC2CC[C@@]1(CS(=O)(=O)[O-])C2(C)C)C1C2CC3CC(C2)CC1C3,KOJPNIVDQDTQTF-CZFXUYAMSA-M
-rxn:2:109209:143818,CC(CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)NC1CCN(c2cc(C3CC3)nc(C3CC3)n2)C1,QGHXNTGUXDWCKM-UHFFFAOYSA-N
-rxn:2:109605:142451,CC(=O)c1cncc(C2C(CCSC(C)Nc3c(C(C)C)c(C(C)C)n[nH]c3=O)C2(F)F)c1,YPBPVNAPXDMCIP-UHFFFAOYSA-N
-rxn:2:109605:152761,CC(=O)c1cccc(C2C(CCSC(C)Nc3c(C(C)C)c(C(C)C)n[nH]c3=O)C2(F)F)n1,NKQVPLHRWNSOFW-UHFFFAOYSA-N
-rxn:2:110753:127163,CCC(N[C@H]1CC[C@H](OC)CC1)C1CCN(c2ccc3c(c2)OCO3)C1,ZDXZFWVZXLXPOM-CEQNXWEKSA-N
-rxn:2:110795:144270,CC(=O)c1cccc(C2C(CSC(C)NC(c3nncn3C3CCCCC3)C(C)(C)C)C2(F)F)n1,NEXFCGWFJTVCAT-UHFFFAOYSA-N
-rxn:2:110795:152761,CC(=O)c1cccc(C2C(CCSC(C)NC(c3nncn3C3CCCCC3)C(C)(C)C)C2(F)F)n1,ODTYNXPUSQLDBW-UHFFFAOYSA-N
-rxn:2:110824:84015,CC1(C)C2CC[C@]1(CS(=O)(=O)[O-])C(NCC1(S(=O)(=O)c3ccccc3)CC1)C2,XPPLZUAARATHFD-LAGYLCCXSA-M
-rxn:2:111510:124978,CC1CCCCC1NC1CCCCCC1CN(C)CC(C)(C)C,SAPYPFMPVQVMAC-UHFFFAOYSA-N
-rxn:2:111610:118962,CC(CC(C)S(=O)(=O)c1cccs1)NC1(COS(=O)(=O)[O-])CCCC1,BPPCRDSSZPIVEX-UHFFFAOYSA-M
-rxn:2:112036:155396,CC(=O)c1ccc(C2C(CSC(C)Nc3nn(CC4(C)CCC4)cc3C)C2(F)F)nc1,KUBNYCFLJVDVEP-UHFFFAOYSA-N
-rxn:2:112507:145784,COC1CCOC2(CCN(CCNC3c4cccc5cccc(c45)CC3(C)C)CC2)C1,NLDVMLDZPQYBST-UHFFFAOYSA-N
-rxn:2:112879:171582,CCCC(C(Nc1cnc2cc(OCC(C)C)ccc2c1)c1ccc2c(c1)CCCC2)N1CCCC1,LDBVEYTVVNZDSZ-UHFFFAOYSA-N
-rxn:2:112947:144237,CC(=O)c1cncc(C2C(CSC(C)Nc3c(C4CCC4)cnn3C(C)C3(C)CC3)C2(F)F)c1,XUUKBKZHZVHSFF-UHFFFAOYSA-N
-rxn:2:112968:135871,CC(NC1CCN(C2CCCCCC2)CC1)c1ccccc1C(C)(C)C,VRWCXDAAZFEQCQ-UHFFFAOYSA-N
-rxn:2:113144:122080,CC(CCS(=O)(=O)F)NOC12CC3CC(CC(C3)C1)C2,AYCZBASELRWXQC-UHFFFAOYSA-N
-rxn:2:113993:136504,CCC(CC)(NC(c1ccc(OC)c(OC)c1OC)C(C)(C)C)c1nc(C(C)C)cc(=O)[nH]1,YGPXTNICOWJPIJ-UHFFFAOYSA-N
-rxn:2:114309:115596,CC(Cc1nc(C2CCN(C)CC2)c[nH]1)NC(CN1CCN(C)CC1)c1cccn1C,KPJXTNFNZLLZHQ-UHFFFAOYSA-N
-rxn:2:114717:139138,CC1(C)C2CCC1(CS(=O)(=O)[O-])C(NC1C(=O)SC13CCC3)C2,UHMWVUZZFVOOKA-UHFFFAOYSA-M
-rxn:2:114750:139138,CC1(C)C2CCC1(CS(=O)(=O)[O-])C(NC1(CCCC34CC5CC(CC(C5)C3)C4)CC1)C2,XWGACFRRVRIJFS-UHFFFAOYSA-M
-rxn:2:114991:155396,CC(=O)c1ccc(C2C(CSC(C)NCC3(CN(C)C)CCOC3)C2(F)F)nc1,PDQIVWITFAWNPA-UHFFFAOYSA-N
-rxn:2:115758:139138,CC(C)(CONC1CC2CCC1(CS(=O)(=O)[O-])C2(C)C)C1C2CC3CC(C2)CC1C3,IHSSHIXIBSFFOE-UHFFFAOYSA-M
-rxn:2:115807:164467,CCC(Nc1cccnc1N1CCC(C(C)(F)F)CC1)c1ccc2oc(=O)c(=O)n(OC(C)C)c2c1,LNPJZFHGZFJWBY-UHFFFAOYSA-N
-rxn:2:116090:130197,CCC(NC1CN(C)CC1c1ccc2c(c1)CCO2)c1ccc(N2CCN(C)CC2)nc1C,GWKCVRHCNDCXPN-UHFFFAOYSA-N
-rxn:2:116109:155396,CC(=O)c1ccc(C2C(CSC(C)NC3(c4ncnn4C)CCCC(C)(C)C3)C2(F)F)nc1,XMONLSJFSXQZNC-UHFFFAOYSA-N
-rxn:2:116257:138967,CC(NCC(C)N(C)C12CC3CC(CC(C3)C1)C2)SC1CC(=O)C1,MTBQGOSDRVLDOR-UHFFFAOYSA-N
-rxn:2:116990:145705,CCC(NC(c1ccc(-c2cnc3[nH]c(=O)[nH]c3c2)cc1)C(C)C)C(C)N(C)C1CCCN(C)C1,JGBYETOLJQKHQK-UHFFFAOYSA-N
-rxn:2:116990:149807,CCC(NC(c1ccc(-c2nc3nc[nH]c3c(=O)[nH]2)cc1)C(C)C)C(C)N(C)C1CCCN(C)C1,JGVGYCHTVWSWDZ-UHFFFAOYSA-N
-rxn:2:116990:152455,CCOc1cccc(-c2cnc3[nH]cc(C(C)NC(CC)C(C)N(C)C4CCCN(C)C4)c3c2)c1,FHLIZTQOAZEAMU-UHFFFAOYSA-N
-rxn:2:116990:156685,CCC(NC1CCc2ccc(-c3c[nH]c4ncc(OC)cc34)cc21)C(C)N(C)C1CCCN(C)C1,WABLUNPMSPYAQC-UHFFFAOYSA-N
-rxn:2:116990:160948,CCOc1ncc(-c2cnc3[nH]cc(C(C)NC(CC)C(C)N(C)C4CCCN(C)C4)c3c2)cc1C,GDMLPZMTKVDYJB-UHFFFAOYSA-N
-rxn:2:116990:164321,CCC(NC(c1ccc(-c2ccc3[nH][nH]c(=O)c3c2)cc1)C(C)C)C(C)N(C)C1CCCN(C)C1,BFULTXHAJQYFMS-UHFFFAOYSA-N
-rxn:2:116990:168252,CCC(NC(C)c1c[nH]c2ncc(-c3cnc(OC)nc3OC)cc12)C(C)N(C)C1CCCN(C)C1,NZGBJCPOONONEZ-UHFFFAOYSA-N
-rxn:2:116990:168898,CCC(NC(C)c1cc(-c2cc3cn[nH]c3cc2C)ccc1OC)C(C)N(C)C1CCCN(C)C1,HLJSQZVDXUQWJV-UHFFFAOYSA-N
-rxn:2:117259:143818,CC1CCCC(CNC(C)CC(c2ccc3[nH]c(=O)[nH]c3c2)N(C)C)(N(C)Cc2ncccn2)C1,HVUKNSBWMRBNIQ-UHFFFAOYSA-N
-rxn:2:117273:126606,CCOS(=O)(=O)c1ncccc1NC(C)SCC12CC(=O)CC(CN(C)C1)C2(F)F,MPVJCGBLTOPJJG-UHFFFAOYSA-N
-rxn:2:117835:142475,CCC1(CC)OC(CC)(CC)C1Nc1nc2[nH]c(OC)c(OC(C)C)c(=O)n2n1,JHYDVTOOODYQAR-UHFFFAOYSA-N
-rxn:2:117893:162039,CCC(NC1c2ccccc2[C@H]2CN(C)CCN2c2ncccc21)c1cnc(N2CCN(C)CC2)cc1C,GRALTWCUZCSQIR-JJMYMTGCSA-N
-rxn:2:117921:139138,CC(CNC1CC2CCC1(CS(=O)(=O)[O-])C2(C)C)C12CC3CC(CC(C3)C1)C2,UMYCHBFWTHOPMU-UHFFFAOYSA-M
-rxn:2:118307:139138,COCC(C)(NC1CC2CCC1(CS(=O)(=O)[O-])C2(C)C)C12CC3CC(CC(C3)C1)C2,ZKCYMWNSNXQRIS-UHFFFAOYSA-M
-rxn:2:118307:140699,CCCC(CS(=O)(=O)F)NC(C)(COC)C12CC3CC(CC(C3)C1)C2,DQIUCHFZNIYPLQ-UHFFFAOYSA-N
-rxn:2:118653:171582,CCCC(C(Nc1ccccc1OCC1CCC1)c1ccc2c(c1)CCCC2)N1CCCC1,GTTCCSVLRMRHHE-UHFFFAOYSA-N
-rxn:2:119361:145705,CC(C)CN1CCC(C)N(C)C(CNC(c2ccc(-c3cnc4[nH]c(=O)[nH]c4c3)cc2)C(C)C)C1,JPZHELTWZYWPNZ-UHFFFAOYSA-N
-rxn:2:119644:126170,CCCC(C(Nc1ccc(OC(C)C2CC2)nc1)c1ccc2c(c1)CCC2)N1CCCC1,UJMSHYFUGGLEIU-UHFFFAOYSA-N
-rxn:2:119780:171582,CCCC(C(Nc1ccc2c(c1)CCN(C)C2)c1ccc2c(c1)CCCC2)N1CCCC1,LOKOCAMPQDFEMG-UHFFFAOYSA-N
-rxn:2:120015:148040,CCCC(C#CN1CCN(C)CC1)NC(c1ccc(OC)c(C(C)C)c1)c1nnn[nH]1,WXWPUEYQWJLXLR-UHFFFAOYSA-N
-rxn:2:120020:171582,CCCC(C(Nc1cc(OC(C)C2CCC2)ccn1)c1ccc2c(c1)CCCC2)N1CCCC1,LUXQSYRAWAJRMC-UHFFFAOYSA-N
-rxn:2:120307:126600,Cc1ccc(C(C)NCCCN(C)C2CCN(C)CC2)c(OS(=O)(=O)F)c1,LIWQPNUFZQOQNW-UHFFFAOYSA-N
-rxn:2:120312:143818,COCC(ONC(C)CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)C1C2CC3CC(C2)CC1C3,TWFBBJSNJQLIAK-UHFFFAOYSA-N
-rxn:2:120502:171582,CCCC(C(Nc1ccc(OCC2CCCC2)cn1)c1ccc2c(c1)CCCC2)N1CCCC1,HXCZTPSICGWBCC-UHFFFAOYSA-N
-rxn:2:120678:144270,CC(=O)c1cccc(C2C(CSC(C)Nc3snnc3CN3CCN(C)CC3)C2(F)F)n1,SNWQNUDZIATERY-UHFFFAOYSA-N
-rxn:2:120784:130941,CCOCC1CCN(c2ccccc2NC(C)c2cnc(N3CCCCC3)nc2C)CC1,GSKPOEMDPDEUPP-UHFFFAOYSA-N
-rxn:2:121013:144237,CC(=O)c1cncc(C2C(CSC(C)Nc3c(C(C)C)cnn3C(C)C3(C)CC3)C2(F)F)c1,ANGPTVMAXVJYAM-UHFFFAOYSA-N
-rxn:2:121027:155396,CC(=O)c1ccc(C2C(CSC(C)NC(c3n[nH]c(C4CCCC4)n3)C(C)(C)C)C2(F)F)nc1,ZDTHFXMRODQHNZ-UHFFFAOYSA-N
-rxn:2:121225:126170,CCCC(C(Nc1ccc(OCC2CC(C)C2)nc1)c1ccc2c(c1)CCC2)N1CCCC1,TWPLMLPTHQUYJT-UHFFFAOYSA-N
-rxn:2:121310:139138,CC1(C)C2CCC1(CS(=O)(=O)[O-])C(NC1CN(Cc3ccsc3)C1)C2,XVBDIHGFXLXRIW-UHFFFAOYSA-M
-rxn:2:121457:171582,CCCC(C(Nc1ccc(OCC(C)C)nc1)c1ccc2c(c1)CCCC2)N1CCCC1,HVKAJYPNXWOXBW-UHFFFAOYSA-N
-rxn:2:122426:130197,CCC(NC1CN(C)CC1c1ccc2c(c1)CCC2)c1ccc(N2CCN(C)CC2)nc1C,VNVFLVXISNDBKN-UHFFFAOYSA-N
-rxn:2:122528:139138,CC(C)C(C)(CC12CC3CC(CC(C3)C1)C2)NC1CC2CCC1(CS(=O)(=O)[O-])C2(C)C,FEAWWTBPYMQKCM-UHFFFAOYSA-M
-rxn:2:122640:139138,CC1(C)C2CCC1(CS(=O)(=O)[O-])C(NCC1(S(=O)(=O)c3ccccc3)CCC1)C2,LHBREQIJPLNIBO-UHFFFAOYSA-M
-rxn:2:122707:139295,CN(C1CCCC1)C(CNC1CC2CC(C2)C1)C(C)(C)C,KEZQVHJBDJYVLF-UHFFFAOYSA-N
-rxn:2:123795:130197,CCC(Nc1cc2c(c(C3CC3)c1)CCN(C)C2)c1ccc(N2CCN(C)CC2)nc1C,NFBYBXLVNOFMKB-UHFFFAOYSA-N
-rxn:2:123941:171582,CCCC(C(Nc1cc(OCC2CCCC2)ccn1)c1ccc2c(c1)CCCC2)N1CCCC1,IEIQNNPFQRPMMR-UHFFFAOYSA-N
-rxn:2:124544:138126,CCCN(C)CCC(C)NCC(F)(F)CN1CCCSCC1,ZXCFTVQDIVWFHI-UHFFFAOYSA-N
-rxn:2:126744:126170,CCCC(C(Nc1cc(OCC2CCCCC2)ccn1)c1ccc2c(c1)CCC2)N1CCCC1,FGBBNZBWAZAHPE-UHFFFAOYSA-N
-rxn:2:126811:149807,CCC(C)C(CN1CCCN(C)CC1)NC(c1ccc(-c2nc3nc[nH]c3c(=O)[nH]2)cc1)C(C)C,QTLTZQYNXFGHEQ-UHFFFAOYSA-N
-rxn:2:126931:88564,CC12CC3CC(C1)C(C(C)(C)CNC1C4(C)CCC5C4(C)COC51S(=O)(=O)[O-])C(C3)C2,ZKPJNSMQWSDYCX-UHFFFAOYSA-M
-rxn:2:127337:171582,CCCC(C(Nc1cccnc1OCC1CC1)c1ccc2c(c1)CCCC2)N1CCCC1,PHWZSIMZUOQZOF-UHFFFAOYSA-N
-rxn:2:127669:132988,CC1CCCC(C(NC2CCCC(N(C)C)CC2)C(C)(C)C)C1,QILVAFLLBJNCJF-UHFFFAOYSA-N
-rxn:2:128181:122707,CN(C1CCCC1)C(CNC1CC2CCC1CC2)C(C)(C)C,BPINTYVTWCZPSS-UHFFFAOYSA-N
-rxn:2:128652:69322,CC(C)CSC(=N)C(F)(F)c1ccc(C(C)NC2CCN(c3cc(=O)n(C)c(=O)[nH]3)C2)cc1,IGOVGUPUGSWRLP-UHFFFAOYSA-N
-rxn:2:128883:139138,CC(NC1CC2CCC1(CS(=O)(=O)[O-])C2(C)C)C12CCC(CC1)C2,GBDXCFVLEJNPHT-UHFFFAOYSA-M
-rxn:2:129215:155396,CC(=O)c1ccc(C2C(CSC(C)NC3(c4nc(C)nn4C)CCC(C)CC3)C2(F)F)nc1,BNLJBCKNQAXPDQ-UHFFFAOYSA-N
-rxn:2:129222:143818,CC(CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)NC1CCN(c2ccc(C3CCOCC3)nn2)C1,VOBOMUQNUIVTMP-UHFFFAOYSA-N
-rxn:2:129575:139138,CC(C)(CCNC1CC2CCC1(CS(=O)(=O)[O-])C2(C)C)C12CC3CC(CC(C3)C1)C2,SXLYPKRYXRTOCS-UHFFFAOYSA-M
-rxn:2:130854:88564,CCC(C)CC1(CNC2C3(C)CCC4C3(C)COC42S(=O)(=O)[O-])CC2CCC1C2,BIFKSYYQZMNLHZ-UHFFFAOYSA-M
-rxn:2:131539:139138,CC(CNC1CC2CCC1(CS(=O)(=O)[O-])C2(C)C)CN(C)C1C2CC3CC(C2)CC1C3,COHCDVNTDPQTTI-UHFFFAOYSA-M
-rxn:2:132263:135871,CC(NC1CCN(C2CCCCCC2)CC1C)c1ccccc1C(C)(C)C,AMUVIVONVCVIJP-UHFFFAOYSA-N
-rxn:2:133600:139138,CC1(C)C2CCC1(CS(=O)(=O)[O-])C(NC1(CCC3C4CC5CC(C4)CC3C5)CCOC1)C2,XFBRNQYOMJYOET-UHFFFAOYSA-M
-rxn:2:133666:88564,CC(C)OC(CNC1C2(C)CCC3C2(C)COC31S(=O)(=O)[O-])C12CC3CC(CC(C3)C1)C2,OHFVZDZGGNPTQP-UHFFFAOYSA-M
-rxn:2:133768:143973,CS(=O)(=O)CC1(CNC2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)CC(F)(F)C1,JPMBQZNZZNTADU-UHFFFAOYSA-N
-rxn:2:134116:139138,CC(NC1CC2CCC1(CS(=O)(=O)[O-])C2(C)C)C12CC3CC(CC(C3)C1)C2,KYBSHYVCXSTJOZ-UHFFFAOYSA-M
-rxn:2:134275:88564,CC12COC3(S(=O)(=O)[O-])C1CCC2(C)C3NCCOC12CC3CC(CC(C3)C1)C2,NXZOGLFURLISKB-UHFFFAOYSA-M
-rxn:2:134302:105145,CCOCC1CCN(c2ncccc2NC(CC)c2ccc(N3CCC4(CC3)CC4)cc2)C1,QSWWWBYBRWCRPZ-UHFFFAOYSA-N
-rxn:2:135236:149407,CC(C)N1CCC(F)(CNC(CC2=NCCO2)c2ccc3[nH]c(=O)[nH]c3c2)CC1,NEYNWXXBGNJXPS-UHFFFAOYSA-N
-rxn:2:135397:144237,CC(=O)c1cncc(C2C(CSC(C)Nc3c(C(C)C)cnn3C(C)C3CCCC3)C2(F)F)c1,BYKRNFXLZOESEM-UHFFFAOYSA-N
-rxn:2:135794:149807,CCC1CCC(CNC(c2ccc(-c3nc4nc[nH]c4c(=O)[nH]3)cc2)C(C)C)(N(C)C(C)C)CC1,TUKIJWGHRAGPNP-UHFFFAOYSA-N
-rxn:2:136206:115972,CN(C1CC1)C(CNC1C[C@H]2CC[C@@]1(CS(=O)(=O)F)C2(C)C)C1C2CC3CC(C2)CC1C3,NKNXTWJJXPYULT-UVORGVRPSA-N
-rxn:2:136504:139613,CCC(C)C(NC(c1ccc(OC)c(OC)c1OC)C(C)(C)C)c1n[nH]c(C(C)C)n1,BPCYRHQWABBUPO-UHFFFAOYSA-N
-rxn:2:136836:139138,CC1(C)C2CCC1(CS(=O)(=O)[O-])C(NCCC13CC4CC(CC(C4)C1)C3)C2,VKVHWSLPWQVOTF-UHFFFAOYSA-M
-rxn:2:137807:137863,CC(C)CSC(=N)C(F)(F)c1cccc(C(C)Nc2nc(=O)nc(C3CCCCS3)[nH]2)n1,FSIPGQLEOGLPDC-UHFFFAOYSA-N
-rxn:2:138115:139138,CC(CC12CC3CC(C1)CC(N(C)C)(C3)C2)NC1CC2CCC1(CS(=O)(=O)[O-])C2(C)C,KNUUWTSVJKPLHT-UHFFFAOYSA-M
-rxn:2:138115:88564,CC(CC12CC3CC(C1)CC(N(C)C)(C3)C2)NC1C2(C)CCC3C2(C)COC31S(=O)(=O)[O-],NKNFIKJJRKWOCB-UHFFFAOYSA-M
-rxn:2:138484:139138,CC(C)(CC(C)(C)C1C2CC3CC(C2)CC1C3)NC1CC2CCC1(CS(=O)(=O)[O-])C2(C)C,KYNXPCUJVMTLLZ-UHFFFAOYSA-M
-rxn:2:138967:115972,CC(CNC1C[C@H]2CC[C@@]1(CS(=O)(=O)F)C2(C)C)N(C)C12CC3CC(CC(C3)C1)C2,HHPARCSPSHJRDK-GOANQGHSSA-N
-rxn:2:139861:154416,CC(NC1(CCO[Si](C)(C)C(C)(C)C)CC1)c1cc(-c2ccc3c(c2)OCO3)n[nH]c1=O,QTJBRQUDXWYZFF-UHFFFAOYSA-N
-rxn:2:141302:152258,CCC(Nc1ccc(N2CCC(F)(F)CC2)cc1OC)c1cccc(-c2cnc(N3CCOCC3)nc2)c1,BXSJFAQFXIBXPR-UHFFFAOYSA-N
-rxn:2:142060:139138,CCC(CNC1CC2CCC1(CS(=O)(=O)[O-])C2(C)C)N(C)C12CC3CC(CC(C3)C1)C2,JERBSOHOVKDFIQ-UHFFFAOYSA-M
-rxn:2:142142:88564,CC(C)CC12CC3CC(C1)C(C(C)NC1C4(C)CCC5C4(C)COC51S(=O)(=O)[O-])C(C3)C2,IVRUQOWMIXJWLZ-UHFFFAOYSA-M
-rxn:2:143521:130197,CCC(NC1CN(C)CCC1c1c(C)[nH]c2ccccc12)c1ccc(N2CCN(C)CC2)nc1C,NREULVMXUCWUJP-UHFFFAOYSA-N
-rxn:2:144363:130197,CCC(NC(c1ccc2[nH]c(=O)[nH]c2c1)C1CCCCO1)c1ccc(N2CCN(C)CC2)nc1C,MKJDTQCDIJAWJE-UHFFFAOYSA-N
-rxn:2:144363:134221,CCC(NC(c1ccc2[nH]c(=O)[nH]c2c1)C1CCCCO1)c1cnc(N2CCN(C)CC2)cc1C,IPFNDGRCASFALX-UHFFFAOYSA-N
-rxn:2:144426:126170,CCCC(C(NC1(c2c[nH]c3c(OC)ncnc23)CCCCC1)c1ccc2c(c1)CCC2)N1CCCC1,LGVYKRVVKBIVED-UHFFFAOYSA-N
-rxn:2:145247:171582,CCCC(C(Nc1cnc2cc(OCC3CCCC3)ccc2c1)c1ccc2c(c1)CCCC2)N1CCCC1,SJSSDPAYHYJDKE-UHFFFAOYSA-N
-rxn:2:146645:130197,CCC(NC1CCC(c2ccc3[nH]c(C)cc3c2)N(C)C1)c1ccc(N2CCN(C)CC2)nc1C,MCZUGLSQBLCZAH-UHFFFAOYSA-N
-rxn:2:147764:81549,CC(CCc1csc(C2CCN(C)CC2)n1)NCC(c1ccc2[nH]c(C3CC3)nc2c1)N(C)C,LEIYMMAOLBDWPS-UHFFFAOYSA-N
-rxn:2:147764:83842,CC(NCC(c1ccc2[nH]c(C3CC3)nc2c1)N(C)C)c1ccc(OCC2CCCN(C)C2)cc1,NDFKZBBGLGREKZ-UHFFFAOYSA-N
-rxn:2:149704:130197,CCC(NC1CN(C)CCC1c1cc2ccc(C)cc2o1)c1ccc(N2CCN(C)CC2)nc1C,SFOACZRGEBCIFI-UHFFFAOYSA-N
-rxn:2:149801:130197,CCC(Nc1ccc2c(c1)nc(C1CCCC1)n2C1CC1)c1ccc(N2CCN(C)CC2)nc1C,VVUQPFKNSFPSIV-UHFFFAOYSA-N
-rxn:2:150912:171582,CCCC(C(Nc1c(OC)cnn1-c1cnccc1C1CC1)c1ccc2c(c1)CCCC2)N1CCCC1,RIFCJZDWHMOLAN-UHFFFAOYSA-N
-rxn:2:152935:152761,CC(=O)c1cccc(C2C(CCSC(C)Nc3n[nH]c4nc5c(cc34)COC(C)(C)C5)C2(F)F)n1,YPENLMOYMFJDQN-UHFFFAOYSA-N
-rxn:2:154590:130197,CCC(NC1CC(c2nccc3c2ccn3C)CN(C)C1)c1ccc(N2CCN(C)CC2)nc1C,XMSCBJAAUFJMNH-UHFFFAOYSA-N
-rxn:2:163997:171582,CCCC(C(Nc1c(OC)cnn1-c1cccnc1C(C)C)c1ccc2c(c1)CCCC2)N1CCCC1,LIUZGQGUBXZSQF-UHFFFAOYSA-N
-rxn:2:164411:126170,CCCC(C(NC1CC(C(c2ccc3[nH]cnc3c2)N(C)C)C1)c1ccc2c(c1)CCC2)N1CCCC1,JHIZBWRXRHDSOE-UHFFFAOYSA-N
-rxn:2:164411:73038,CCC(NC1CC(C(c2ccc3[nH]cnc3c2)N(C)C)C1)c1cnc(N2CCN(CC)CC2)cc1C,KMEKWUFFCAZNFX-UHFFFAOYSA-N
-rxn:2:165405:73038,CCC(NC1(C(c2ccc3[nH]cnc3c2)N(C)C)CC1)c1cnc(N2CCN(CC)CC2)cc1C,RIBQLUXIJVNVED-UHFFFAOYSA-N
-rxn:2:167587:126170,CCCC(C(Nc1ccc2nccc(OC3CCCCC3)c2c1)c1ccc2c(c1)CCC2)N1CCCC1,AHNRYIYUHWQTOG-UHFFFAOYSA-N
-rxn:2:66012:75075,CCCc1cn(C(C)C(C)C)nc1NCC(OC)C1CCC(F)(F)CC1,QBBHVJLGYSBMFK-UHFFFAOYSA-N
-rxn:2:66244:96078,CN(C)C1(CNC2CC3CCN(C3)C2)CCC(C(C)(C)C)CC1,RJPUVVGDHXXZMR-UHFFFAOYSA-N
-rxn:2:66481:102620,COCC1CCC(NC(c2ccc(C(C)(C)C)cc2)C2COCCO2)C1,NQQKITTXESDQEG-UHFFFAOYSA-N
-rxn:2:66620:84015,CC(C)(CNC1CC2CC[C@@]1(CS(=O)(=O)[O-])C2(C)C)SC1C2CC3CC(C2)CC1C3,JSVPUKCVXDYHDU-BVIIXZICSA-M
-rxn:2:66778:155396,CC(=O)c1ccc(C2C(CSC(C)NC3(c4nc(C(C)C)nn4C)CCCCC3)C2(F)F)nc1,JGTFRUDINKLWCJ-UHFFFAOYSA-N
-rxn:2:66824:79120,CCC(Nc1n[nH]c2cc(OCCN(C)C)ccc12)c1ccc2c(c1)N(C(C)C)CC(C(C)C)O2,NPJJTCQWSBVMGW-UHFFFAOYSA-N
-rxn:2:66965:82750,CC(NC1CCC(N2CCCCCC2)CC1)c1ccc(C(C)(C)C)cc1,NNCQQAWRERESFP-UHFFFAOYSA-N
-rxn:2:67017:155396,CC(=O)c1ccc(C2C(CSC(C)Nc3nc(C)[nH]c3N(C)C3CCCCC3C)C2(F)F)nc1,FCUDHMJFVZQIKK-UHFFFAOYSA-N
-rxn:2:67258:139138,CC1(C)C2CCC1(CS(=O)(=O)[O-])C(NCC(F)(F)CN1CC3CCC(C1)O3)C2,RXRDMEOXYQQGBK-UHFFFAOYSA-M
-rxn:2:67412:80854,CC(CNC1C[C@H]2CC[C@]1(CS(=O)(=O)F)C2(C)C)N(C)C1C2CC3CC(C2)CC1C3,ZUYXDMXGKFUBHP-HGMODDPRSA-N
-rxn:2:67498:105921,CCCN(C)C1(CNC(C)c2cnn(C(C)C)c2OC)CN2CCC1CC2,UOHQBRUWIGNYBC-UHFFFAOYSA-N
-rxn:2:68132:99460,CN(C)C(C1CCCC1)C1CC(NC2CCCN(C(C)(C)C)CC2)C1,GZNZUDIAOLGJQD-UHFFFAOYSA-N
-rxn:2:68145:67412,CCN(C(C)CNC1C[C@H]2CC[C@]1(CS(=O)(=O)F)C2(C)C)C1CCN2CCCC1C2,CGHWSKZBIMOGBO-JIBNVARISA-N
-rxn:2:68175:139138,CC(CNC1CC2CCC1(CS(=O)(=O)[O-])C2(C)C)(c1ccccc1)N1CCOCC1,IUTQYQIQCKSOTD-UHFFFAOYSA-M
-rxn:2:68813:115972,CON(C)C(CNC1C[C@H]2CC[C@@]1(CS(=O)(=O)F)C2(C)C)C12CC3CC(CC(C3)C1)C2,CAUSBCLDMZTNLO-UVKBHZQFSA-N
-rxn:2:68813:87271,CCOS(=O)(=O)C[C@]12CC[C@H](CC1NCC(N(C)OC)C13CC4CC(CC(C4)C1)C3)C2(C)C,LRNPECZZRQDDBF-RJYHNYMQSA-N
-rxn:2:68833:113144,CCS(=O)(=O)CCCC(NOC12CC3CC(CC(C3)C1)C2)C(C)(C)C,SWVZBTUCIAUBQZ-UHFFFAOYSA-N
-rxn:2:68924:126839,Cc1nc(C(C)NCC(C)C23CC4CC(C2)CC(N(C)C)(C4)C3)[nH]c1C,DATISEFXXROSQH-UHFFFAOYSA-N
-rxn:2:69000:144460,CCC(NC(C)(c1nnn[nH]1)C1CCCC1)c1cccc(C2C(CSC(C)=O)C2(F)F)c1,QKGSSAUEOZVUMA-UHFFFAOYSA-N
-rxn:2:69057:126076,CC(C)c1cc(C(C)C)c(C(C)NC2CCC(C(c3cccnc3)N(C)C)CC2)c(=O)[nH]1,WYBFGLRAALSGRW-UHFFFAOYSA-N
-rxn:2:69447:88564,CSCC(NC1C2(C)CCC3C2(C)COC31S(=O)(=O)[O-])C1C2CC3CC(C2)CC1C3,RUXVFHNVKFBOFK-UHFFFAOYSA-M
-rxn:2:69562:139138,CC12CCC(CC(CCNC3CC4CCC3(CS(=O)(=O)[O-])C4(C)C)C1)C2(C)C,QBXFJYNOAAVXAJ-UHFFFAOYSA-M
-rxn:2:69566:77846,CCOS(=O)(=O)CC12CCC(CC1NCC1(N(C)C)CN3CCC1CC3)C2(C)C,HRRSVIHYNRATEP-UHFFFAOYSA-N
-rxn:2:69649:71115,CCC(C)c1nc(C(C)C)n(C(C)C)c1NC1CCC(N(C)C)CC1,FVKVQPSFUKQLAV-UHFFFAOYSA-N
-rxn:2:70683:108927,COCc1cc(OS(=O)(=O)F)ccc1NC1CCS(=O)(=O)C2(CCC2)C1,MTFTUJCAYLYDDM-UHFFFAOYSA-N
-rxn:2:71075:159432,COc1cccc(OC(C)NCC(F)(F)c2cn(C(C)C)nc2C)c1C(=O)C1(C)CC1,DUIPIQRGIUHODM-UHFFFAOYSA-N
-rxn:2:71242:90986,CCC(Nc1cc2c(cc1N1CCCC1)OCO2)C1CCC(OC)CC1,MRDMNNITEOAMLM-UHFFFAOYSA-N
-rxn:2:71431:152541,CC(CC(C)(C)n1[se]c2cccnc2c1=O)NCC(F)(F)CN1CCSCCC1C,UKZRRGQBXIFNHZ-UHFFFAOYSA-N
-rxn:2:71525:75075,CC#Cc1nnc([C@H](CC(C)C)NCC(OC)C2CCC(F)(F)CC2)o1,RZRGNXBUDLGINV-VYRBHSGPSA-N
-rxn:2:71989:84594,CN(C1CCC(NC2CCC2C2CCC2)CC1)C(C)(C)C,AJBUKDVFOOFDTM-UHFFFAOYSA-N
-rxn:2:73437:135343,COS(=O)(=O)CC12CCC(CC1NCC1(F)CN3CCC1CC3)C2(C)C,KNIQKIZAYYSHHG-UHFFFAOYSA-N
-rxn:2:73437:77846,CCOS(=O)(=O)CC12CCC(CC1NCC1(F)CN3CCC1CC3)C2(C)C,WAJHAQFOXOBTQR-UHFFFAOYSA-N
-rxn:2:73437:97636,CCOS(=O)(=O)C[C@]12CC[C@@H](CC1NCC1(F)CN3CCC1CC3)C2(C)C,WAJHAQFOXOBTQR-AILXTGBUSA-N
-rxn:2:73742:139138,CC1(C)C2CCC1(CS(=O)(=O)[O-])C(NC(c1ccsc1)C1CCOCC1)C2,PGHHMYDNTGDZPS-UHFFFAOYSA-M
-rxn:2:73779:152388,CC(NCC1(N2CCC(N(C)C)CC2)CCN(C)C1)c1ccc(-c2cc3[nH]c(=O)[nH]c3cn2)s1,XKZDKBAMNGGTRY-UHFFFAOYSA-N
-rxn:2:74005:83448,CC(C)Cc1cc(C(C)NCC(N(C)C)C23CCC(CC2)C3)n(C)n1,BCAPMKLIUSSSCD-UHFFFAOYSA-N
-rxn:2:74022:155396,CC(=O)c1ccc(C2C(CSC(C)NC3CCCCC3Cc3nn(C)c(=O)n3C)C2(F)F)nc1,LZPGPBVQNIKGOY-UHFFFAOYSA-N
-rxn:2:74153:126170,CCCC(C(Nc1cccnc1N1CCC(N(C)C)CC1)c1ccc2c(c1)CCC2)N1CCCC1,VBYCKUIBMUMPKK-UHFFFAOYSA-N
-rxn:2:74153:147483,Cc1ccc2c(C(C)Nc3cccnc3N3CCC(N(C)C)CC3)c(N3CCCCC3)[nH]c2c1C,HKQRXBUQLGBYJV-UHFFFAOYSA-N
-rxn:2:74153:171582,CCCC(C(Nc1cccnc1N1CCC(N(C)C)CC1)c1ccc2c(c1)CCCC2)N1CCCC1,TXSVJSBQUQTJPU-UHFFFAOYSA-N
-rxn:2:74525:152761,CC(=O)c1cccc(C2C(CCSC(C)NC3(c4ncc[nH]4)C(C)(C)CCC3(C)C)C2(F)F)n1,PCJGBNBNFCKTBR-UHFFFAOYSA-N
-rxn:2:74709:149807,CC(C)CN1C(C)CCN(C)CC1CNC(c1ccc(-c2nc3nc[nH]c3c(=O)[nH]2)cc1)C(C)C,DULPZTSKXACTCW-UHFFFAOYSA-N
-rxn:2:74747:122640,CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)[O-])C(NCC1(S(=O)(=O)c3ccccc3)CCC1)C2,LHBREQIJPLNIBO-JNEOBVTJSA-M
-rxn:2:74747:136751,CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)[O-])C(NCc1ccsc1S(=O)(=O)C1CC1)C2,YJIWFQPQPMTGHL-JGNDPHQUSA-M
-rxn:2:74747:76543,CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)[O-])C(NC1(c3ccc[nH]c3=O)COC1)C2,VLRXYSPEPUZWIH-ZYFOBHMOSA-M
-rxn:2:74967:142933,CCCC(NC1(c2ccc(OC)cn2)CCC(F)(F)CC1)c1ccc(-c2ccnc(N3CCCC3)n2)cc1,MLGQMQBWQGDFND-UHFFFAOYSA-N
-rxn:2:74967:152258,CCC(NC1(c2ccc(OC)cn2)CCC(F)(F)CC1)c1cccc(-c2cnc(N3CCOCC3)nc2)c1,IBRNMFLFIUNCJK-UHFFFAOYSA-N
-rxn:2:74967:171582,CCCC(C(NC1(c2ccc(OC)cn2)CCC(F)(F)CC1)c1ccc2c(c1)CCCC2)N1CCCC1,CUJUWMKJZSSEMW-UHFFFAOYSA-N
-rxn:2:74967:79668,CCC(C)C(C)n1ccc2c1CC(C)(C)CC2NC1(c2ccc(OC)cn2)CCC(F)(F)CC1,GIEDPNSICQJZCI-UHFFFAOYSA-N
-rxn:2:75003:142070,CC(C)c1c[nH]c(C(C)NC(CN(C)C2CCN(C)CC2)C(C)C)n1,RXHOEIAHHSFDBO-UHFFFAOYSA-N
-rxn:2:75003:161441,Cc1c(C(C)NC(CN(C)C2CCN(C)CC2)C(C)C)cc(-c2ccc3[nH]c(=O)[nH]c3c2)n1C,CINLMLNKDIGYOI-UHFFFAOYSA-N
-rxn:2:75070:137912,CC(=O)c1cn([C@H]2C[C@H](CSC(C)NCC(F)(F)CN3CC(C)(C)C3)C2)nn1,GGDPQPZUBYHIEX-KURUOMIPSA-N
-rxn:2:75075:112498,CCc1c(C(C)C)nn(C(C)CC)c1NCC(OC)C1CCC(F)(F)CC1,ZGUVTIYVWMDDAB-UHFFFAOYSA-N
-rxn:2:75075:116810,CCCC(C)c1ncn(C(C)C)c1NCC(OC)C1CCC(F)(F)CC1,JDIBYORBMZSZIA-UHFFFAOYSA-N
-rxn:2:75075:96257,CCc1nn(C(C)CC)c(NCC(OC)C2CCC(F)(F)CC2)c1C(C)C,YRISECOTAVCIQH-UHFFFAOYSA-N
-rxn:2:75130:130197,CCOCC1CCN(c2ncccc2NC(CC)c2ccc(N3CCN(C)CC3)nc2C)CC1,JYMACFSYJRAJGJ-UHFFFAOYSA-N
-rxn:2:75439:124533,COCC1C(F)(F)C12CCC(Nc1c(C(C)C)ncnc1C(C)C)CC2,BEJBAFQBBLZHKB-UHFFFAOYSA-N
-rxn:2:75953:100356,CCc1ccc(C(CS(C)(=O)=O)NCC2(S(=O)(=O)CC)CCOCC2)s1,NQARCMHDCGEEAD-UHFFFAOYSA-N
-rxn:2:76295:139138,CC(NC1CC2CCC1(CS(=O)(=O)[O-])C2(C)C)C12CC3CC(CC(C)(C3)C1)C2,PKCNXYRLCGQXHZ-UHFFFAOYSA-M
-rxn:2:76532:169444,COC1CCOC2(CCN(CCCNC(c3ccc(-c4cccc5nc[nH]c45)cc3)C(C)C)CC2)C1,WRGSENMOHKHZNQ-UHFFFAOYSA-N
-rxn:2:77403:137912,CC(=O)c1cn([C@H]2C[C@H](CSC(C)NCC(F)(F)CCC(C)(C)C)C2)nn1,OHKMZEFWTOVYOS-KURUOMIPSA-N
-rxn:2:77403:91059,CC(=O)c1cn([C@H]2C[C@@H](CSC(C)NCC(F)(F)CCC(C)(C)C)C2)nn1,OHKMZEFWTOVYOS-MQVJKMGUSA-N
-rxn:2:77662:108500,CCc1nn(C(C)CC)c(NCC(OC)C2CC(F)(F)C2)c1C1(C)CC1,QEPIWINLQHZPLB-UHFFFAOYSA-N
-rxn:2:77662:112498,CCc1c(C(C)C)nn(C(C)CC)c1NCC(OC)C1CC(F)(F)C1,BWKIMKBLRPXUHV-UHFFFAOYSA-N
-rxn:2:77662:139362,CCC(C)n1nc(C2(C)CC2)c(C)c1NCC(OC)C1CC(F)(F)C1,INYMWMRVZZEUQT-UHFFFAOYSA-N
-rxn:2:77846:113312,CCOS(=O)(=O)CC12CCC(CC1NCC(F)(F)CN1CCN3CCC1C3)C2(C)C,DUMZKAMANYVQAV-UHFFFAOYSA-N
-rxn:2:78323:129473,CC(NC1CCCC2CCCCC21)C1CC1c1ccc(C(C)(C)C)cc1,WGFHNYHLENTYTC-UHFFFAOYSA-N
-rxn:2:78352:171582,CCCC(C(Nc1cnc(OCC(C)C)nc1)c1ccc2c(c1)CCCC2)N1CCCC1,BDAUFQVEIWBKQH-UHFFFAOYSA-N
-rxn:2:78925:100874,CCOc1ccccc1C(CN1CCOCC1)NCC1(OC)CS(=O)(=O)C1,BTMVPTQQHLSEBP-UHFFFAOYSA-N
-rxn:2:78949:164467,CCC(Nc1c(C2CC2)cnn1C(C)C1CC1(F)F)c1ccc2oc(=O)c(=O)n(OC(C)C)c2c1,OFYNXQLUNVIJEJ-UHFFFAOYSA-N
-rxn:2:79791:111610,CSc1ccc(C(CS(C)(=O)=O)NC2(COS(=O)(=O)[O-])CCCC2)cc1,MYCPVIQXZOLMSF-UHFFFAOYSA-M
-rxn:2:79793:128070,CC(CCCCN1CCCC(C)C1C)Nc1cc(OCC2CC2)[nH]n1,BPKLEYAZHCDKKG-UHFFFAOYSA-N
-rxn:2:79800:115692,C[C@@H]1CC(NCCS(=O)(=O)N=S(C)(C)=O)CCN1[C@@H](C)c1ccccc1,HFHAHYRPJNZFMA-LNKXUWQBSA-N
-rxn:2:79867:99561,CCOC1(CNC2CC3CCCC(C2)N3Cc2cccs2)CS(=O)(=O)C1,ONBLOUXYCBEHOL-UHFFFAOYSA-N
-rxn:2:79917:111378,CC(=O)c1cn(C2CCC2SC(C)NCC(F)(F)CN(C)C(C)C)nn1,FSUVFKYDBPFCTN-UHFFFAOYSA-N
-rxn:2:79917:138918,CC(=O)c1cn(C2CCC2SC(C)NCC(C)(C)CCC2CC2(F)F)nn1,KDAORSBPKGLWOY-UHFFFAOYSA-N
-rxn:2:80050:137807,CC(C)CSC(=N)C(F)(F)c1ccc(C(C)Nc2nc(=O)nc(C3CCCCS3)[nH]2)nc1,OMEBRWJXLSCXPN-UHFFFAOYSA-N
-rxn:2:80050:89130,CC(C)CSC(=N)C(F)(F)c1ccc(C(C)NC2CCCC(c3n[nH]c(=O)[nH]3)C2)nc1,WLCCTPBDWYJXRG-UHFFFAOYSA-N
-rxn:2:80344:155396,CC(=O)c1ccc(C2C(CSC(C)Nc3cc(C(C)(C)C4CCC4)nn3C)C2(F)F)nc1,IYLWYJFIXDTBPY-UHFFFAOYSA-N
-rxn:2:81367:171582,CCCC(C(Nc1ccncc1OCC(C)C)c1ccc2c(c1)CCCC2)N1CCCC1,SWNIFSBBHWMGJM-UHFFFAOYSA-N
-rxn:2:81383:126170,CCCC(C(Nc1ccc(OCC2CCC2)nc1)c1ccc2c(c1)CCC2)N1CCCC1,HGGXDXMGHUOWMT-UHFFFAOYSA-N
-rxn:2:81873:139138,CC1(C)C2CCC1(CS(=O)(=O)[O-])C(NCC1(S(=O)(=O)C3CC3)CC1)C2,SQPZJSLNCAFTEY-UHFFFAOYSA-M
-rxn:2:81984:139138,CC1(C)C2CCC1(CS(=O)(=O)[O-])C(NCCCC13CC4CC(CC(C4)C1)C3)C2,RXCSWRKAZBYMIA-UHFFFAOYSA-M
-rxn:2:82412:118859,Cc1nc(CCC(C)NCC23CCC(N(C)C)(CC2)CC3)[nH]c1C(C)C,WAJPDRAJTBPMFB-UHFFFAOYSA-N
-rxn:2:82554:105921,CCCN(C)C1(CNC(C)c2cnn(CC(C)C)c2OC)CN2CCC1CC2,PPTPCWWWSGLXHK-UHFFFAOYSA-N
-rxn:2:82871:139138,CSCC(CC1C2CC3CC(C2)CC1C3)NC1CC2CCC1(CS(=O)(=O)[O-])C2(C)C,KXBZQLSOLXYBFV-UHFFFAOYSA-M
-rxn:2:82932:122080,CC(CCS(=O)(=O)F)NCC(C)(N(C)C)C12CC3CC(CC(C3)C1)C2,OZOZCSJCFSUWMD-UHFFFAOYSA-N
-rxn:2:82932:139138,CN(C)C(C)(CNC1CC2CCC1(CS(=O)(=O)[O-])C2(C)C)C12CC3CC(CC(C3)C1)C2,CXSDOUSCLMAAPU-UHFFFAOYSA-M
-rxn:2:83028:160765,CC(CN1CCC(N(C)C)CC1)NC(c1ccn2c(C3CC3)ncc2c1)C(C)C,XBQDSQHPIUIXQG-UHFFFAOYSA-N
-rxn:2:83181:141891,Cc1ccc(C(NC2CCCC(c3ccccc3)CC2)C2CCCCC2)cc1C(C)(C)C,HMAJHBUAXLJALM-UHFFFAOYSA-N
-rxn:2:83448:88564,CN(C)C(CNC1C2(C)CCC3C2(C)COC31S(=O)(=O)[O-])C12CCC(CC1)C2,SIGJNZVJSZBHCK-UHFFFAOYSA-M
-rxn:2:83871:144460,CCC(NC1(C)CCN(Cc2nnc[nH]2)C1)c1cccc(C2C(CSC(C)=O)C2(F)F)c1,YGXJOWZEPUNOJO-UHFFFAOYSA-N
-rxn:2:83980:90136,CC(CC(C)c1ccc(C(C)(C)C)cc1)NC1CCCC2CCCCC21,LJQRJJWTKZOIOV-UHFFFAOYSA-N
-rxn:2:84015:136751,CC1(C)C2CC[C@]1(CS(=O)(=O)[O-])C(NCc1ccsc1S(=O)(=O)C1CC1)C2,YJIWFQPQPMTGHL-RWKZGTHUSA-M
-rxn:2:84015:138785,CC(C)CC(C)(NC1CC2CC[C@@]1(CS(=O)(=O)[O-])C2(C)C)C12CC3CC(CC(C3)C1)C2,WTATYGMRFWJXSQ-RNODCTFHSA-M
-rxn:2:84222:90981,COc1ccc(C(C#C[Si](C)(C)C)NC2(c3nc(N(C(C)C)C(C)C)n[nH]3)CC2)cc1,QPJTWQQYIHPCLG-UHFFFAOYSA-N
-rxn:2:84594:105463,CN(C1CCC(NC2CC(N3CCC3)C2)CC1)C(C)(C)C,GAPQLZNFHDFFBF-UHFFFAOYSA-N
-rxn:2:84594:116254,CN(C1CCC(NC2CCCN(C3C4CC5CC(C4)CC3C5)CC2)CC1)C(C)(C)C,YJQQWXOGZQCLQZ-UHFFFAOYSA-N
-rxn:2:84594:121661,CN(C1CCC(NCC2CC(C3CCC3)C2)CC1)C(C)(C)C,BRQFMINWSKWCJU-UHFFFAOYSA-N
-rxn:2:84594:85099,CN(C1CCC(NC2CC(C3CC3)C2)CC1)C(C)(C)C,RGWJCOVYMKOHJX-UHFFFAOYSA-N
-rxn:2:85213:139138,CC(CNC1CC2CCC1(CS(=O)(=O)[O-])C2(C)C)OC12CC3CC(CC(C3)C1)C2,AFYVYDGOXROAHV-UHFFFAOYSA-M
-rxn:2:85516:139138,CC(CNC1CC2CCC1(CS(=O)(=O)[O-])C2(C)C)C(C)(C)C1C2CC3CC(C2)CC1C3,KVGZHPMMNKVNNU-UHFFFAOYSA-M
-rxn:2:85516:88564,CC(CNC1C2(C)CCC3C2(C)COC31S(=O)(=O)[O-])C(C)(C)C1C2CC3CC(C2)CC1C3,QDPWRFIJEVZMBT-UHFFFAOYSA-M
-rxn:2:86185:125295,CCN1CC2CSCC(CNC3CC(CS(=O)(=O)F)C3)(C1)C2(F)F,MWOHOVJZHFWRDP-UHFFFAOYSA-N
-rxn:2:86285:88564,CC(C)CC12CC3CC(C1)C(CC(C)NC1C4(C)CCC5C4(C)COC51S(=O)(=O)[O-])C(C3)C2,NEIVRYUVHCPXED-UHFFFAOYSA-M
-rxn:2:86703:98965,CC(Nc1ccc(OCC(C)(C)F)cc1)c1nc(N2CCOCC2)nc(N2CCOCC2)n1,SZMFCGBHAHCODO-UHFFFAOYSA-N
-rxn:2:88556:155064,CC[C@]1(O[Si](C)(C)C(C)(C)C)C[C@H](NC(C)c2ccc(OC)c(-c3cnc[nH]c3=O)c2)C1,MFXFANOHEOCMTN-FHFSQUMGSA-N
-rxn:2:88564:108613,CC(C)(C)C(CNC1C2(C)CCC3C2(C)COC31S(=O)(=O)[O-])C1C2CC3CC(C2)CC1C3,OELNZUPUUJULIS-UHFFFAOYSA-M
-rxn:2:88564:113144,CC12COC3(S(=O)(=O)[O-])C1CCC2(C)C3NOC12CC3CC(CC(C3)C1)C2,KXNZCMORYTXKDZ-UHFFFAOYSA-M
-rxn:2:88564:123997,CCC(CC)(CNC1C2(C)CCC3C2(C)COC31S(=O)(=O)[O-])C1C2CC3CC(C2)CC1C3,JUSRTWTWLHRRBJ-UHFFFAOYSA-M
-rxn:2:88564:125212,CC(C)(COC12CC3CC(CC(C3)C1)C2)NC1C2(C)CCC3C2(C)COC31S(=O)(=O)[O-],FHBOVXBNXOOZBU-UHFFFAOYSA-M
-rxn:2:88564:125276,CC(C)(CNC1C2(C)CCC3C2(C)COC31S(=O)(=O)[O-])SC12CC3CC(CC(C3)C1)C2,OPTNITFYCYOLBT-UHFFFAOYSA-M
-rxn:2:88564:135789,CCC(C)(CC1C2CC3CC(C2)CC1C3)NC1C2(C)CCC3C2(C)COC31S(=O)(=O)[O-],LTAZLNMNELVUHY-UHFFFAOYSA-M
-rxn:2:88564:138484,CC(C)(CC(C)(C)C1C2CC3CC(C2)CC1C3)NC1C2(C)CCC3C2(C)COC31S(=O)(=O)[O-],BPXGDUBILKDOJF-UHFFFAOYSA-M
-rxn:2:88564:138785,CC(C)CC(C)(NC1C2(C)CCC3C2(C)COC31S(=O)(=O)[O-])C12CC3CC(CC(C3)C1)C2,QMGNGQQFECXPLG-UHFFFAOYSA-M
-rxn:2:88564:82871,CSCC(CC1C2CC3CC(C2)CC1C3)NC1C2(C)CCC3C2(C)COC31S(=O)(=O)[O-],PKVBPZSAWWKOFS-UHFFFAOYSA-M
-rxn:2:88564:83096,CC(NC1C2(C)CCC3C2(C)COC31S(=O)(=O)[O-])C1CC2CCC1CC2,ORXSHQNMYPAZPA-UHFFFAOYSA-M
-rxn:2:88564:83988,CC(C)CC(NC1C2(C)CCC3C2(C)COC31S(=O)(=O)[O-])C1C2CC3CC(C2)CC1C3,GFTVDFQHHDTVMO-UHFFFAOYSA-M
-rxn:2:88564:84962,CC(NC1C2(C)CCC3C2(C)COC31S(=O)(=O)[O-])C(C)(C)C12CC3CC(CC(C3)C1)C2,NFAITDZERINWLY-UHFFFAOYSA-M
-rxn:2:88564:87093,CC(CN(C)C1C2CC3CC(C2)CC1C3)NC1C2(C)CCC3C2(C)COC31S(=O)(=O)[O-],BNJDSKVOMARWLN-UHFFFAOYSA-M
-rxn:2:88564:93814,CC(C)C(NC1C2(C)CCC3C2(C)COC31S(=O)(=O)[O-])C12CC3CC(CC(C3)C1)C2,MUVKVYHNHJZNEZ-UHFFFAOYSA-M
-rxn:2:89069:139138,CC(CNC1CC2CCC1(CS(=O)(=O)[O-])C2(C)C)N(C)CC1C2CC3CC(C2)CC1C3,VGHCFXDQHPILHZ-UHFFFAOYSA-M
-rxn:2:89130:84373,CC(C)CSC(=N)C(F)(F)c1ccc(C(C)NC2CCCC(c3n[nH]c(=O)[nH]3)C2)cn1,YDAFUGLYAOCUFA-UHFFFAOYSA-N
-rxn:2:89431:171582,CCCC(C(Nc1ccc(OCC(C)C)cn1)c1ccc2c(c1)CCCC2)N1CCCC1,KZFHIJIOQBSXSF-UHFFFAOYSA-N
-rxn:2:89481:155589,COC1CCN(c2ccc(NC3c4c(C)cccc4OC4CCN5CCCC5C43)cc2C)CC1,XBEUPIHMCSHKER-UHFFFAOYSA-N
-rxn:2:89697:95311,CC(C)c1cc(C(C)NC2CCC(N(C)CCN(C)C)CC2)n(C)n1,FPZSOLTYSOAHAF-UHFFFAOYSA-N
-rxn:2:91416:138967,CC(CNC1CC2CCC1(CS(=O)(=O)F)C2(C)C)N(C)C12CC3CC(CC(C3)C1)C2,HHPARCSPSHJRDK-UHFFFAOYSA-N
-rxn:2:92331:73038,CCC(Nc1cc2c3c(c1)CCCN3CCC2)c1cnc(N2CCN(CC)CC2)cc1C,WZOUVMHRVJJAEB-UHFFFAOYSA-N
-rxn:2:92553:104146,COC(CNC[C@@H](OC)C(C)C)CC1C2CC3CC(C2)CC1C3,GJGSBHJODQUOGM-SXVGOASOSA-N
-rxn:2:92846:139138,CC1(C)C2CCC1(CS(=O)(=O)[O-])C(NC1(C)C3CCC(C3)C1(C)C)C2,CYSZYQHISAREDI-UHFFFAOYSA-M
-rxn:2:93213:106485,COc1ccc(OC)c(C(CC2=NCCO2)NCCn2cnnc2C2CCC(F)(F)CC2)c1,CKHGGQTZVWNICB-UHFFFAOYSA-N
-rxn:2:93442:107758,CCN1CC2CC(NCC3(S(=O)(=O)CC)CC3)CC(C1)C2(F)F,XHIVFMBSELNBIL-UHFFFAOYSA-N
-rxn:2:93469:110824,CSCCC(NCC1(S(=O)(=O)c2ccccc2)CC1)C1CCS(=O)(=O)C1,KATMIPVNVBEICT-UHFFFAOYSA-N
-rxn:2:93686:147483,Cc1ccc2c(C(C)Nc3cnccc3N3CCC(N(C)C)CC3)c(N3CCCCC3)[nH]c2c1C,YMJUIPPLKUNKHR-UHFFFAOYSA-N
-rxn:2:93959:145705,CC(C)CCN1CC(C)N(C)C(CNC(c2ccc(-c3cnc4[nH]c(=O)[nH]c4c3)cc2)C(C)C)C1,ABXUXQMGSTWNSB-UHFFFAOYSA-N
-rxn:2:94709:139138,CC(C)(CCCNC1CC2CCC1(CS(=O)(=O)[O-])C2(C)C)C1C2CC3CC(C2)CC1C3,IAIPZQBVKUMHJK-UHFFFAOYSA-M
-rxn:2:95712:155396,CC(=O)c1ccc(C2C(CSC(C)NCc3c(N4CCCN(C)CC4)nnc(C)c3C)C2(F)F)nc1,NUNGKHDFAIPNFK-UHFFFAOYSA-N
-rxn:2:96258:100289,CC(C(NC1CCC(C)(F)CC1)c1ccc2c(c1)OCO2)N1CCCC1,PELBBTDGDNTUJU-UHFFFAOYSA-N
-rxn:2:96499:110753,CCC(N[C@H]1CC[C@@H](OC)CC1)C1CCN(c2ccc3c(c2)OCO3)C1,ZDXZFWVZXLXPOM-BLIJUIGDSA-N
-rxn:2:96571:139138,CC(NC1CC2CCC1(CS(=O)(=O)[O-])C2(C)C)C1C2CC3CC(C2)CC1C3,AZGXCSWDCDRWKV-UHFFFAOYSA-M
-rxn:2:96603:109467,CC(C)c1cc(C(C)NCC2(N(C)C3CC3)CN3CCC2CC3)c(=O)[nH]n1,MHOTZDUUUJSXJO-UHFFFAOYSA-N
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-rxn:2:67015:122707,CN(C1CCCC1)C(CNC1CCC(C2CCC2)CC1)C(C)(C)C,JMFWPTVNJSRDJN-UHFFFAOYSA-N
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-rxn:2:67409:108054,CC(NCCC1(N2CCN(C)CC2)CSC1)c1ccccc1OS(C)(=O)=O,KCLYKOZAAXRBDL-UHFFFAOYSA-N
-rxn:2:67409:87496,CCC(NCCC1(N2CCN(C)CC2)CSC1)c1cccc(S(=O)(=O)F)c1,NNUVLLKBGIYUJZ-UHFFFAOYSA-N
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-rxn:2:75256:119498,CN1[C@@H]2CCC[C@H]1CC(NCC1(C)CCCCCC1)C2,UHMFVEMUKUFOQE-ALOPSCKCSA-N
-rxn:2:75731:81873,Cc1ccccc1C(CCN1CCN(C)CC1)NCC1(S(=O)(=O)C2CC2)CC1,DTJOTCCRMZCVEF-UHFFFAOYSA-N
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-rxn:2:77183:159484,CCC1(Oc2nccnc2NC(C)SCC2C(c3ccccc3C(C)=O)C2(F)F)COC1,IKUSPVMFOUDPTH-UHFFFAOYSA-N
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-rxn:2:77846:150282,CCOS(=O)(=O)CC12CCC(CC1Nc1ccc(C(F)(F)c3nnn[nH]3)nc1OC)C2(C)C,JHYRHAPPSRDCTI-UHFFFAOYSA-N
-rxn:2:77846:163038,CCOS(=O)(=O)CC12CCC(CC1Nc1cc(C(F)(F)c3nnn[nH]3)cnc1OC)C2(C)C,DIFTUQLKPBYVFL-UHFFFAOYSA-N
-rxn:2:78323:98356,COC(CNC(C)C1CC1c1ccc(C(C)(C)C)cc1)C1CCCCC1,WOLSIDJCPPHLJU-UHFFFAOYSA-N
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-rxn:2:78546:117066,CC(NCc1nn(C23CC4CC(CC(C4)C2)C3)c(=O)[nH]1)c1ccc(OS(=O)(=O)[O-])cc1,JGFXGEVWKFSIAV-UHFFFAOYSA-M
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-rxn:2:79124:155264,CC(NCC1(S(=O)(=O)C2CCCC2)COC1)c1sccc1-c1cccnc1S(C)(=O)=O,DVCFTCXLZLMAEW-UHFFFAOYSA-N
-rxn:2:79124:158217,CS(=O)(=O)n1cc(-c2cccc3c2CCC3NCC2(S(=O)(=O)C3CCCC3)COC2)cn1,UOYOOSMSZCKZPK-UHFFFAOYSA-N
-rxn:2:79124:165490,Cc1cc(-c2ccc(C(C)NCC3(S(=O)(=O)C4CCCC4)COC3)s2)ccc1S(C)(=O)=O,LOPMVFUZUTYDTH-UHFFFAOYSA-N
-rxn:2:79199:131786,CC(Nc1cnc(OCCN2CCCCC2)nc1)c1cccc(C(F)C2CCN(C)CC2)c1,CLXRMJBNULQCTL-UHFFFAOYSA-N
-rxn:2:79331:145258,COc1ccc2[nH]c(C(C)C)nc2c1C(C)NCC1(CCN(C)C)CC(F)(F)C1,PNHVDBXMKVKYIF-UHFFFAOYSA-N
-rxn:2:79331:153933,COc1cc2c(cc1-c1ccn(C3COC3)n1)CCC2NCC1(CCN(C)C)CC(F)(F)C1,HCWJNLJBQAJGRA-UHFFFAOYSA-N
-rxn:2:79331:161479,CC(CCC1(c2ccc3[nH]c(=O)[nH]c3c2)COC1)NCC1(CCN(C)C)CC(F)(F)C1,OPYBDLQWFZNQLR-UHFFFAOYSA-N
-rxn:2:79402:122241,CCCOS(=O)(=O)c1ccccc1NC1CCC(c2nccc(C3CCN(C)C3)n2)CC1,LCXFSTOJCLVEIT-UHFFFAOYSA-N
-rxn:2:79439:103173,CN(CC1CCC(NCC2(C3CC3)CCC2)CC1)C(C)(C)C,ORJGPFKCHGMABA-UHFFFAOYSA-N
-rxn:2:79439:132806,CN(CC1CCC(NC(C2CCC2)C2CC2)CC1)C(C)(C)C,IJJAWBWXODTGBP-UHFFFAOYSA-N
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-rxn:2:79960:138182,CC(C)COCC(Nc1nc(CN2CCC(N(C)C)CC2)cs1)c1ccc2c(c1)CCC2,WUBHYPCXMUPKEH-UHFFFAOYSA-N
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-rxn:2:105921:160537,CCCN(C)C1(CNC(C)c2c[nH]c3cc(OC)ccc3c2=O)CN2CCC1CC2,DHBSVHJXLSBBPB-UHFFFAOYSA-N
-rxn:2:105965:139138,CC1(C)C2CCC1(CS(=O)(=O)[O-])C(NOCC1C3CC4CC(C3)CC1C4)C2,KBEFWNNEEAVHDS-UHFFFAOYSA-M
-rxn:2:106180:143818,CC(CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)NCc1nccc(N2CCN(C3CCC3)CC2)n1,DMTMSCDBPAKRFH-UHFFFAOYSA-N
-rxn:2:106627:159916,COc1ccc(C(NCCS(=O)(=O)c2ccccc2OC)C23CN4CN(CN(C4)C2)C3)cc1,NYTPKLBWCWLSBY-UHFFFAOYSA-N
-rxn:2:106789:143973,O=S1(=O)CCC(CCNC2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)(n2cccn2)CC1,GYTWVRMLDDNUPU-UHFFFAOYSA-N
-rxn:2:106946:139138,CC1(C)C2CCC1(CS(=O)(=O)[O-])C(NCCN1CC3CCC(F)(F)C3C1)C2,ODENTTVDOWMLLW-UHFFFAOYSA-M
-rxn:2:107207:171582,CCCC(C(Nc1ccccc1OCC1CC(C)C1)c1ccc2c(c1)CCCC2)N1CCCC1,NXMXTMZJVOTATM-UHFFFAOYSA-N
-rxn:2:107617:147749,CCOc1ccc2ccccc2c1C(CN1CCCCC1)NC1(c2n[nH]c(C3CC3)n2)CCC(CC)CC1,NLOQZPGYJPQSHX-UHFFFAOYSA-N
-rxn:2:107617:170963,CCCCSC(=N)C(F)(F)c1cccc2c1CCC2NC1(c2n[nH]c(C3CC3)n2)CCC(CC)CC1,TYNGKQBOBYEEKI-UHFFFAOYSA-N
-rxn:2:108613:141610,CC(NCC(C1C2CC3CC(C2)CC1C3)C(C)(C)C)c1ccc(S(=O)(=O)[O-])cc1,OUXMWXGDGSTEAN-UHFFFAOYSA-M
-rxn:2:108990:143818,CC(CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)NCCc1ncn2c1CN(C1CCCCC1)CC2,MAWFKYFDOBJRGY-UHFFFAOYSA-N
-rxn:2:109113:139138,Cc1ccccc1C1(NC2CC3CCC2(CS(=O)(=O)[O-])C3(C)C)CCN(C)CC1,VAPYOASSUGWIPB-UHFFFAOYSA-M
-rxn:2:109150:139138,CC1(C)C2CCC1(CS(=O)(=O)[O-])C(N[C@@H](c1cccc(S(C)(=O)=O)c1)C1CC1)C2,VMGTWBPBGNTUQD-CTRHJLPVSA-M
-rxn:2:109467:115972,CN(C1CC1)C1(CNC2C[C@H]3CC[C@@]2(CS(=O)(=O)F)C3(C)C)CN2CCC1CC2,XZELLRZWQDPRCP-KNWHQWALSA-N
-rxn:2:109579:106538,CCCCC1CCC(c2cc(NC(C)c3cc(CO[Si](C)(C)C(C)(C)C)ccn3)[nH]n2)CC1,CYHTXZFPDYDFOA-UHFFFAOYSA-N
-rxn:2:110440:126600,Cc1ccc(C(C)NCCS(=O)(=O)C2CCOCC2)c(OS(=O)(=O)F)c1,RAXWGIJWRNXCCH-UHFFFAOYSA-N
-rxn:2:110489:161479,CC(CCC1(c2ccc3[nH]c(=O)[nH]c3c2)COC1)Nc1cncnc1OC1CCCC(N(C)C)C1,BXNPKYIGBARZGX-UHFFFAOYSA-N
-rxn:2:110818:157049,CS(=O)(=O)CCC1(CNC2CC3(CS(=O)(=O)C3)Oc3ccccc32)CC2CCC1C2,BWXAZTJPCMLUNC-UHFFFAOYSA-N
-rxn:2:111146:139138,CC1(CNC2CC3CCC2(CS(=O)(=O)[O-])C3(C)C)CC2CCC1C2,CFCHUTGTUHZXIM-UHFFFAOYSA-M
-rxn:2:111181:139138,Cc1ccccc1C1CCN(CCNC2CC3CCC2(CS(=O)(=O)[O-])C3(C)C)C1,GJWXBHVUKKMAFT-UHFFFAOYSA-M
-rxn:2:111450:167745,CN(C)C1CCC(NC(c2ccc(S(C)(=O)=O)cc2)C23CC(C2)C3)CC1,ZXZZKYXRPXPCRU-UHFFFAOYSA-N
-rxn:2:111538:126600,Cc1ccc(C(C)N[C@H]2CC[C@H](OS(C)(=O)=O)CC2)c(OS(=O)(=O)F)c1,YIUQOWJTKFYHKK-KAOCOCSGSA-N
-rxn:2:112213:126432,CCCC(Nc1n[nH]c2cc(OCC(C)C)ccc12)C1CCCN(CC(C)C)C1,PMEHAUWOOFRULE-UHFFFAOYSA-N
-rxn:2:112507:172722,COC1CCOC2(CCN(CCNC(c3ccc(-c4cnc5cc[nH]c5c4)cc3)C(C)C)CC2)C1,CVUAIDOXOJBBCA-UHFFFAOYSA-N
-rxn:2:112706:171582,CCCC(C(Nc1ccc(OCC2CCCCC2)cc1)c1ccc2c(c1)CCCC2)N1CCCC1,DPYFTCWDHGPMFY-UHFFFAOYSA-N
-rxn:2:113048:151752,CC(NCC1CCOC12CCS(=O)(=O)CC2)c1cc(-c2ccccc2)ccc1OS(=O)(=O)F,JLNOLKBDLZIQJX-UHFFFAOYSA-N
-rxn:2:113378:135263,CCCC(C(NOCC1CCN(C2CCS(=O)(=O)C2)CC1)c1ccccc1)N1CCCC1,CSANIXISKGIFAX-UHFFFAOYSA-N
-rxn:2:113920:147312,CCN1CCC(N(C)C2COCCC2NC(c2ccc(-c3ccnc(OC)c3)cc2)c2ncc[nH]2)CC1,VFBPBCFCHVJQFM-UHFFFAOYSA-N
-rxn:2:114046:139138,CC1(C)C2CCC1(CS(=O)(=O)[O-])C(NCC1(c3cccc(S(C)(=O)=O)c3)CCC1)C2,BVRGNWQHTXHRQD-UHFFFAOYSA-M
-rxn:2:114046:74747,CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)[O-])C(NCC1(c3cccc(S(C)(=O)=O)c3)CCC1)C2,BVRGNWQHTXHRQD-ZDUIXAHXSA-M
-rxn:2:114231:172373,CCCC(C(Nc1ccc(OC2CCCN(CC)C2)nn1)c1ccc2ccccc2c1)N1CCCC1,DOHIWXUCUGKURH-UHFFFAOYSA-N
-rxn:2:114498:157168,CCC(CN1CCC(N(C)C)CC1)Nc1cn(-c2ccncc2C2CC2)nc1C1CC1,QGRKOJGBLPTAMZ-UHFFFAOYSA-N
-rxn:2:114642:137446,CCS(=O)(=O)OC[C@H]1CCC(NCC#Cc2ccc(S(=O)(=O)F)cc2)C1,YJAJQXNSPCBIFS-VYRBHSGPSA-N
-rxn:2:115701:139138,CC1(C)C2CCC1(CS(=O)(=O)[O-])C(N[C@@H]1[C@H]3CCC(F)(F)[C@H]31)C2,OYIVMYJMWOTRQT-OKYSGIBESA-M
-rxn:2:115759:139138,Cc1ccccc1C(CN1CCOCC1)NC1CC2CCC1(CS(=O)(=O)[O-])C2(C)C,MMTGJVMXIUGGOW-UHFFFAOYSA-M
-rxn:2:115777:143818,CC(CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)NCCc1nccc(N(C)C2CCN(C)CC2)n1,NPEBNCHWTKURRO-UHFFFAOYSA-N
-rxn:2:115991:126600,Cc1ccc(C(C)NC2CCOC3(C2)CC2CCC(C3)N2C)c(OS(=O)(=O)F)c1,QZFBFBVZJUSWPT-UHFFFAOYSA-N
-rxn:2:116199:171582,CCCC(C(Nc1ccc(OCC2CCOCC2)nc1)c1ccc2c(c1)CCCC2)N1CCCC1,DYHUJYFQBNUDCW-UHFFFAOYSA-N
-rxn:2:116254:151812,O=c1[nH]nc(SCC(NC2CCCN(C3C4CC5CC(C4)CC3C5)CC2)c2cccs2)c(=O)[nH]1,OCTQCXDDRABKBD-UHFFFAOYSA-N
-rxn:2:116313:126600,CCON(C)C1CCC(NC(C)c2ccc(C)cc2OS(=O)(=O)F)CC1,YNANEOUOFAXKOL-UHFFFAOYSA-N
-rxn:2:116793:125690,CCOCC(C)N1CCC(NC(C)c2ccc(N3CCCCCC3)cc2)CC1,GVOAZWQQUSYBRF-UHFFFAOYSA-N
-rxn:2:116986:171582,CCCC(C(Nc1ccc(OCC2CCC2)cc1)c1ccc2c(c1)CCCC2)N1CCCC1,BLDYQVHRHPJQIT-UHFFFAOYSA-N
-rxn:2:117066:115327,CC(NCC1CC2CCC(C1)N2C1CC1)c1ccc(OS(=O)(=O)[O-])cc1,MXIDBBHHUYVEIR-UHFFFAOYSA-M
-rxn:2:117066:126958,CC(NC1CC2CCC(C1)N2C1COC1)c1ccc(OS(=O)(=O)[O-])cc1,ZNEVRIGYQFKWRQ-UHFFFAOYSA-M
-rxn:2:117066:135079,CC(NC1CC2CCC(C1)N2C1CCOCC1)c1ccc(OS(=O)(=O)[O-])cc1,HHTUSWBHBJJJHP-UHFFFAOYSA-M
-rxn:2:117139:144192,CCOc1ccc(C(C#CN2CCCC2)Nc2ccc(OCC3(C)COC3)nn2)cc1C,XAHKAKHABROPKU-UHFFFAOYSA-N
-rxn:2:117417:125295,CC(NC1CC(CS(=O)(=O)F)C1)c1cccn1C1C2CC3CC(C2)CC1C3,VYFHPGBNFUQMMQ-UHFFFAOYSA-N
-rxn:2:117723:74747,CCC(NC1C[C@H]2CC[C@]1(CS(=O)(=O)[O-])C2(C)C)C1(C23CC4CC(CC(C4)C2)C3)CC1,OUIWQZVQBKDWCD-YIYUIUEJSA-M
-rxn:2:117798:126170,CCCC(C(Nc1cccnc1OCC1CCOCC1)c1ccc2c(c1)CCC2)N1CCCC1,PEOOWDJCBXDTHV-UHFFFAOYSA-N
-rxn:2:117798:171582,CCCC(C(Nc1cccnc1OCC1CCOCC1)c1ccc2c(c1)CCCC2)N1CCCC1,HLWUFDIYDNMNPZ-UHFFFAOYSA-N
-rxn:2:118444:137446,CCS(=O)(=O)OC[C@@H]1CCC(NCC#Cc2ccc(S(=O)(=O)F)cc2)C1,YJAJQXNSPCBIFS-AAFJCEBUSA-N
-rxn:2:118714:126600,Cc1ccc(C(C)NCCN2CCC(S(C)(=O)=O)CC2)c(OS(=O)(=O)F)c1,NAMMDUHSTQZLAJ-UHFFFAOYSA-N
-rxn:2:118955:171582,CCCC(C(Nc1cnc2ccc(OCC(C)C)cc2c1)c1ccc2c(c1)CCCC2)N1CCCC1,WQQMXTWLWJYJJP-UHFFFAOYSA-N
-rxn:2:119260:83490,CCCC(C(Nc1cnc(OCC2CCCCN2C)nc1)c1ccc2c(c1)CCO2)N1CCCC1,PVTZAZMMZPLZQP-UHFFFAOYSA-N
-rxn:2:119613:126600,Cc1ccc(C(C)NCCN(C)[C@@H]2CCCN(C)C2)c(OS(=O)(=O)F)c1,WITFQOZOGMIMMT-OEMAIJDKSA-N
-rxn:2:120197:167563,CCc1[nH]c(=O)[nH]c1C(NCC1(C(C2CCOCC2)N(C)C)COC1)c1ccncc1,CPTSSWJBDTZCPZ-UHFFFAOYSA-N
-rxn:2:120312:125827,COCC(ONCC1C(=C=C(C)C)C1(C)C)C1C2CC3CC(C2)CC1C3,NPIGFKPWMCWWJD-UHFFFAOYSA-N
-rxn:2:120507:159916,COc1ccc(C(NCC#CCS(=O)(=O)C2CC2)C23CN4CN(CN(C4)C2)C3)cc1,DUIIUQMHUPMGRV-UHFFFAOYSA-N
-rxn:2:120625:143973,CS(=O)(=O)C1(c2ccc(CNC3CCN(C4=NS(=O)(=O)c5ccccc54)CC3)cc2)CC1,RJYPGOYOJWJOHP-UHFFFAOYSA-N
-rxn:2:121271:139138,CC1(C)C2CCC1(CS(=O)(=O)[O-])C(NCC1CC3(C1)CC(F)(F)C3)C2,ULIHAPUPMKUUEF-UHFFFAOYSA-M
-rxn:2:121560:139138,CC1(C)C2CCC1(CS(=O)(=O)[O-])C(Nc1cccnc1S(=O)(=O)C1CC1)C2,QCNOQOVQCZITMO-UHFFFAOYSA-M
-rxn:2:122069:139138,CC1(C)C2CCC1(CS(=O)(=O)[O-])C(NC1(c3cccc(S(C)(=O)=O)c3)CCCC1)C2,JRTLGUSKVKWNCF-UHFFFAOYSA-M
-rxn:2:123113:168624,COC12CCCCC(NC(CS(C)(=O)=O)c3ccc(S(C)(=O)=O)cc3)(C1)C2,UCXWLWBVHSYIKS-UHFFFAOYSA-N
-rxn:2:123126:143818,CC(CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)Nc1cnc(C2CCN(C)CC2)cc1OC(C)C,AXZVKGBYCDYGFB-UHFFFAOYSA-N
-rxn:2:123399:171582,CCCC(C(Nc1ccc(OCC2CC2)cn1)c1ccc2c(c1)CCCC2)N1CCCC1,ZWEVDLXHUJYOTJ-UHFFFAOYSA-N
-rxn:2:123438:124978,CN(CC1CCCCCC1NC1CCC2CC1C2)CC(C)(C)C,RMZXKZIIQIQUKD-UHFFFAOYSA-N
-rxn:2:123501:143818,CC(CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)NCCC1CCCN1c1ccc(C2CCC2)nn1,NUWGDTVUCLVDOJ-UHFFFAOYSA-N
-rxn:2:123682:139138,CC1(C)C2CCC1(CS(=O)(=O)[O-])C(NCC(CC13CC4CC(CC(C4)C1)C3)C1CC1)C2,MHRSUXBOOYHKLN-UHFFFAOYSA-M
-rxn:2:123941:126170,CCCC(C(Nc1cc(OCC2CCCC2)ccn1)c1ccc2c(c1)CCC2)N1CCCC1,YFWJIACEYGBVIS-UHFFFAOYSA-N
-rxn:2:124063:139138,CC(CNC1CC2CCC1(CS(=O)(=O)[O-])C2(C)C)(CN1CCCOCC1)c1ccccc1,NRIPMTWHFHCIBR-UHFFFAOYSA-M
-rxn:2:124164:171582,CCCC(C(Nc1ccc(CN2CC3(CN(CC)C3)C2)cn1)c1ccc2c(c1)CCCC2)N1CCCC1,UFDMRYFFBFBGBK-UHFFFAOYSA-N
-rxn:2:125276:91416,CC(C)(CNC1CC2CCC1(CS(=O)(=O)F)C2(C)C)SC12CC3CC(CC(C3)C1)C2,WXTWSGJYGGOKMX-UHFFFAOYSA-N
-rxn:2:125437:139138,CN1CCCN(CC(CNC2CC3CCC2(CS(=O)(=O)[O-])C3(C)C)c2ccccc2)CC1,UYONOLIXTFRTTQ-UHFFFAOYSA-M
-rxn:2:125885:139138,CC1CCN(C(CNC2CC3CCC2(CS(=O)(=O)[O-])C3(C)C)c2ccccc2)CC1,PEJXXCPEGANICA-UHFFFAOYSA-M
-rxn:2:125897:130197,CCC(Nc1cnn(C(C)C)c1OCC1CC1)c1ccc(N2CCN(C)CC2)nc1C,PWGZGSNRIFHBIF-UHFFFAOYSA-N
-rxn:2:126412:122080,CC(CCS(=O)(=O)F)NCCCSC12CC3CC(CC(C3)C1)C2,KZWSBKVMZSZPRW-UHFFFAOYSA-N
-rxn:2:126488:139138,CC1(C)C2CCC1(CS(=O)(=O)[O-])C(NC1CC3(C1)C(F)(F)C31CC1)C2,ADSXQBZEIFHKHP-UHFFFAOYSA-M
-rxn:2:126661:171582,CCCC(C(Nc1ccccc1OCC(C)C)c1ccc2c(c1)CCCC2)N1CCCC1,PSHBGAYGTWPJSS-UHFFFAOYSA-N
-rxn:2:126902:171582,CCCC(C(Nc1ccccc1OCC1CCCO1)c1ccc2c(c1)CCCC2)N1CCCC1,YATDYJHQLFCNGP-UHFFFAOYSA-N
-rxn:2:126931:128441,CC12CC3CC(C1)C(C(C)(C)CNC(CCS(=O)(=O)F)C1CC1)C(C3)C2,KDHPTXQVOMJKCT-UHFFFAOYSA-N
-rxn:2:127132:126600,Cc1ccc(C(C)NCC2CCC(S(C)(=O)=O)CC2)c(OS(=O)(=O)F)c1,VKSGGNHVEBGODO-UHFFFAOYSA-N
-rxn:2:127464:167745,CCS(=O)(=O)CC1(CNC(c2ccc(S(C)(=O)=O)cc2)C23CC(C2)C3)CCC1,YXYMGSUUYGLYLZ-UHFFFAOYSA-N
-rxn:2:127605:143818,CC(CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)NCc1cc(CC2CCC2)nn1C1CCOC1,KACRXKRQOMJQRB-UHFFFAOYSA-N
-rxn:2:127799:124978,CN(CC1CCCCCC1NC1C[C@H]2CC[C@@H]1CC2)CC(C)(C)C,XBYRDSPBUHCLJU-ZRJNFMMRSA-N
-rxn:2:128124:143818,CC(CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)NCC(c1nc(C2CCCCC2)c[nH]1)C(C)C,FGZPPPKBNJVPAE-UHFFFAOYSA-N
-rxn:2:128181:124978,CN(CC1CCCCCC1NC1CC2CCC1CC2)CC(C)(C)C,XBYRDSPBUHCLJU-UHFFFAOYSA-N
-rxn:2:128441:131507,CCC(C)(CC12CC3CC(CC(C3)C1)C2)NC(CCS(=O)(=O)F)C1CC1,WKUDSXFAOGWDSF-UHFFFAOYSA-N
-rxn:2:128980:143973,COc1cc(C)c(C)cc1C(NC1CCN(C2=NS(=O)(=O)c3ccccc32)CC1)C1CCC1,ZHOQNMJJVBPAMP-UHFFFAOYSA-N
-rxn:2:129112:143818,CC(CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)NCc1cc(C2CCCC2)nn1C1CCOC1,SRNPLWFMLYLWNZ-UHFFFAOYSA-N
-rxn:2:129758:86186,CN1C2CCC1CC(CNC1C[C@@H]3CC[C@@]1(C)C3(C)C)(N(C)C1CC1)C2,MKBNQTNOUZUUMU-HBYSYMOJSA-N
-rxn:2:129974:123904,CC1(CN2C3CCC2CC(NCc2ccc(CS(=O)(=O)F)cc2)C3)CCC1,LOTJVHVWFLJFBA-UHFFFAOYSA-N
-rxn:2:130458:139138,CC1(C)C2CCC1(CS(=O)(=O)[O-])C(NC1CC(F)(F)C13CCC3)C2,MWNVOKNKTGSRGB-UHFFFAOYSA-M
-rxn:2:130552:145247,CC(C)CCCC1CCC(Nc2cnc3cc(OCC4CCCC4)ccc3c2)CC1,ZDXDSTLSPLFAOX-UHFFFAOYSA-N
-rxn:2:131267:114642,CCS(=O)(=O)OC[C@H]1CCC(NOCC2(C34CC5CC(CC(C5)C3)C4)CC2)C1,FVVIRAGMEQIIKH-UUFSNNOVSA-N
-rxn:2:131267:151812,O=c1[nH]nc(SCC(NOCC2(C34CC5CC(CC(C5)C3)C4)CC2)c2cccs2)c(=O)[nH]1,WNCHRSXXRABOCY-UHFFFAOYSA-N
-rxn:2:131357:143818,CC(CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)Nc1ccc(C2CCN(C)CC2)nc1OC(C)C,YUWCJAVWNMCTJJ-UHFFFAOYSA-N
-rxn:2:131642:143818,CC(CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)NCc1cc(CC2CCC2)nn1C1CCCC1,AFCWVIZHIHYOIC-UHFFFAOYSA-N
-rxn:2:131857:143480,CCCC(NC1(C(c2ccc3oc(=O)[nH]c3c2)N(C)C)CC1)c1ccc2c(c1)N(CCC)CCC2,IUHOFINFTZZXAQ-UHFFFAOYSA-N
-rxn:2:132257:130552,CC(C)CCCC1CCC(Nc2ccc(OCCC3CCCN3C)cn2)CC1,WKISZEIRMZCGAG-UHFFFAOYSA-N
-rxn:2:132644:126170,CCCC(C(Nc1ccc(OCC2CCCCO2)cc1)c1ccc2c(c1)CCC2)N1CCCC1,OKIBXHYJJILMJY-UHFFFAOYSA-N
-rxn:2:134124:168561,CC1CN(C(CNC(C#CN2CCCCC2)c2ccc3[nH]c(=O)[nH]c3c2)c2cccnc2)CCN1C,AUWRKTDZXURXNL-UHFFFAOYSA-N
-rxn:2:134714:143818,CC(CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)NC1CCN(c2cc(N(C)C(C)C)ncn2)CC1,OSWYHWPGOYMPEQ-UHFFFAOYSA-N
-rxn:2:135471:143818,CC(CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)NCc1cn(C2CCOC2)nc1C1CCCC1,KUFJEEXPJIJEIV-UHFFFAOYSA-N
-rxn:2:135607:139138,CSc1ccc(C(CNC2CC3CCC2(CS(=O)(=O)[O-])C3(C)C)N2CCCC2)cc1,UOWSPSNJPPCDRF-UHFFFAOYSA-M
-rxn:2:135747:152573,CCc1nc2cc(C(CN3CC(C)CC(C)C3)Nc3ccc(OCC4CC(F)C4)nc3)ccc2[nH]1,PRMBOUIOKILDFL-UHFFFAOYSA-N
-rxn:2:135789:91416,CCC(C)(CC1C2CC3CC(C2)CC1C3)NC1CC2CCC1(CS(=O)(=O)F)C2(C)C,VHPMNQCZMQVVEZ-UHFFFAOYSA-N
-rxn:2:137402:158146,COc1cc(-c2cc(NC(C#CC(C)(C)C)C#CC(C)(C)C)n[nH]2)cc(OC)c1OC,CYHUDDKWKDBQSZ-UHFFFAOYSA-N
-rxn:2:137402:158173,COc1cc(-c2c[nH]nc2NC(C#CC(C)(C)C)C#CC(C)(C)C)cc(OC)c1OC,GTOKYKAKCPOAMB-UHFFFAOYSA-N
-rxn:2:137660:143818,CC(CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)NCc1c(C2CCCN(C)C2)nc2n1CCCC2,VROMWBOJTUPDLP-UHFFFAOYSA-N
-rxn:2:138115:114642,CCS(=O)(=O)OC[C@H]1CCC(NC(C)CC23CC4CC(C2)CC(N(C)C)(C4)C3)C1,RQYOEWGLWHINGK-PYOWNBOHSA-N
-rxn:2:138208:161239,CCC1CC2CN(C)CC(CNC(CSc3n[nH]c(=O)[nH]c3=O)c3cccc(OC)c3)(C1)C2(F)F,NNUPSDACIRWFFT-UHFFFAOYSA-N
-rxn:2:138690:171582,CCCC(C(Nc1ccccc1OCC1CCOC1)c1ccc2c(c1)CCCC2)N1CCCC1,MFMCQTTZAJQODF-UHFFFAOYSA-N
-rxn:2:139310:143605,CC(NCC1CC(OS(C)(=O)=O)C1)c1ccc(S(=O)(=O)C2CCCCC2)s1,BYKLHIHANMRKKI-UHFFFAOYSA-N
-rxn:2:140126:143818,CC(CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)Nc1cn(CC2CCCC2)nc1CC1CCC1,BABWLOAUNJKJIH-UHFFFAOYSA-N
-rxn:2:140198:68021,CCCCN1CCCC1c1ccc(NC(C)c2cnccc2OCC2CCCO2)nc1C,HDWBNCWNTPQFFQ-UHFFFAOYSA-N
-rxn:2:140251:171582,CCCC(C(Nc1ccnc(OCC(C)C)c1)c1ccc2c(c1)CCCC2)N1CCCC1,LDEJBBHZUJNTNC-UHFFFAOYSA-N
-rxn:2:140318:162583,CS(=O)(=O)OC1CCCCC1NC(c1ccc(-c2cnn(S(C)(=O)=O)c2)cc1)C1CC1,NOZZSWKCZPAKFB-UHFFFAOYSA-N
-rxn:2:140449:71645,CCC(C(Nc1ccccc1OCCN1CCC(C)(C)CC1)c1ccccc1)N1CCOCC1,DHGJKRKSDGBITG-UHFFFAOYSA-N
-rxn:2:140532:139138,CC1(C)C2CCC1(CS(=O)(=O)[O-])C(NCC1(F)CCSCC1)C2,IVYJIGFTZHJYSA-UHFFFAOYSA-M
-rxn:2:141016:126170,CCCC(C(Nc1ccccc1OCC1CC2(CCC2)C1)c1ccc2c(c1)CCC2)N1CCCC1,BZGQAAMWRIHBRE-UHFFFAOYSA-N
-rxn:2:141016:171582,CCCC(C(Nc1ccccc1OCC1CC2(CCC2)C1)c1ccc2c(c1)CCCC2)N1CCCC1,JTVMQYOWMHXUPF-UHFFFAOYSA-N
-rxn:2:141066:171582,CCCC(C(Nc1c(C)cccc1OCC1CCC1)c1ccc2c(c1)CCCC2)N1CCCC1,LHVUUHJPNCHPJD-UHFFFAOYSA-N
-rxn:2:141701:143818,CC(CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)NCc1cc(CC2CCCC2)nn1C1CCC1,WKRMLOPTZAHPMR-UHFFFAOYSA-N
-rxn:2:142060:141226,CCC(CNC1CCC1(C)F)N(C)C12CC3CC(CC(C3)C1)C2,NUDYWSIZOFHWIC-UHFFFAOYSA-N
-rxn:2:143480:106196,CC(NC1(C(c2ccc3oc(=O)[nH]c3c2)N(C)C)CC1)c1cnccc1OCCN1CCOCC1,OMHPIXUCWFMUCK-UHFFFAOYSA-N
-rxn:2:143480:132673,COC1CCN(CC(NC2(C(c3ccc4oc(=O)[nH]c4c3)N(C)C)CC2)c2ccn(C)c2)CC1,GPSHNPXIUDRINF-UHFFFAOYSA-N
-rxn:2:143480:149130,CCc1nc2cc(C(CCN3CCCCC3)NC3(C(c4ccc5oc(=O)[nH]c5c4)N(C)C)CC3)ccc2[nH]1,BOXLWQZLXXPXLN-UHFFFAOYSA-N
-rxn:2:144192:164411,CCOc1ccc(C(C#CN2CCCC2)NC2CC(C(c3ccc4[nH]cnc4c3)N(C)C)C2)cc1C,CTAUVMAHKKZULG-UHFFFAOYSA-N
-rxn:2:149130:143480,CCc1nc2cc(C(CCN3CCCCC3)NC3(C(c4ccc5oc(=O)[nH]c5c4)N(C)C)CC3)ccc2[nH]1,BOXLWQZLXXPXLN-UHFFFAOYSA-N
-rxn:2:151000:171582,CCCC(C(Nc1cc(OCc2ccc3c(c2)OCO3)ncn1)c1ccc2c(c1)CCCC2)N1CCCC1,JKMNMAHZAQEZEJ-UHFFFAOYSA-N
-rxn:2:153443:115389,CCC(C(Nc1c(OCCC(C)C)ccc2ncccc12)c1ccc2c(c1)CCCC2)N1CCCC1,XNEJCYPHRJITHV-UHFFFAOYSA-N
-rxn:2:154760:109800,CCC(C(NC(C)(C)CN(C)Cc1ccc2[nH]c(=O)[nH]c2c1)c1ccccc1)N1CCCOCC1,QDQGJYYALSMADM-UHFFFAOYSA-N
-rxn:2:156863:159916,COc1ccc(C(NC(C)(C)C(c2ccc3[nH]c(=O)[nH]c3c2)N(C)C)C23CN4CN(CN(C4)C2)C3)cc1,DFXBYDYKIMKYDC-UHFFFAOYSA-N
-rxn:2:167557:130197,CCC(NCC(c1ccc2oc(=O)[nH]c2c1)C1CCCC1)c1ccc(N2CCN(C)CC2)nc1C,XSAHVUACERHFJK-UHFFFAOYSA-N
-rxn:2:66418:125295,CN1CC2CC(C)(C)CC(NC3CC(CS(=O)(=O)F)C3)(C1)C2(F)F,YOTZSWOEMYGONG-UHFFFAOYSA-N
-rxn:2:67412:102540,CC(CNC1C[C@H]2CC[C@]1(CS(=O)(=O)F)C2(C)C)SC1C2CC3CC(C2)CC1C3,VURARIDLKDUTHL-LDTJCYNESA-N
-rxn:2:67665:81627,CCC(C(Nc1cccc(C(C)N2CCCCC2)n1)c1ccc(OC)cc1)N1CCCC1,JALGUORPJHGNGA-UHFFFAOYSA-N
-rxn:2:68813:70685,CON(C)C(CNC1CC(S(=O)(=O)F)C1)C12CC3CC(CC(C3)C1)C2,XDEKDRONRRLCQE-UHFFFAOYSA-N
-rxn:2:68813:73337,CON(C)C(CNC1CC2CC1(C)CC2(C)C)C12CC3CC(CC(C3)C1)C2,GLYUNYSBOTVXFC-UHFFFAOYSA-N
-rxn:2:68924:125295,CC(CNC1CC(CS(=O)(=O)F)C1)C12CC3CC(C1)CC(N(C)C)(C3)C2,SYKWJJLJQBTUKH-UHFFFAOYSA-N
-rxn:2:68924:135343,COS(=O)(=O)CC12CCC(CC1NCC(C)C13CC4CC(C1)CC(N(C)C)(C4)C3)C2(C)C,SRUNDQVWRCYMAX-UHFFFAOYSA-N
-rxn:2:69035:123810,CCC(Nc1ccc(N2CCC(N(C)C)CC2)cc1OC)c1cnc(N2CCOCC2)c(C)c1,URBZUSFDOHTWAJ-UHFFFAOYSA-N
-rxn:2:69035:155181,CCC(Nc1ccc(N2CCC(N(C)C)CC2)cc1OC)c1ccc(-c2cnc(N3CCCCC3)nc2)cc1,FVHZCJRFWZHPKL-UHFFFAOYSA-N
-rxn:2:69103:84594,CN(C1CCC(NC2(C3CC4CCC3C4)CC2)CC1)C(C)(C)C,NJLNLFWQAKEPPA-UHFFFAOYSA-N
-rxn:2:69438:108054,CC(NC12CC(N3CCN(C)CC3)(C1)C2)c1ccccc1OS(C)(=O)=O,XPNCFKBRJBDSPE-UHFFFAOYSA-N
-rxn:2:69566:110586,CN(C)C1(CNC2CC3CC[C@@]2(C)C3(C)C)CN2CCC1CC2,IUHWKIGZBFKVAN-SAOIUIGASA-N
-rxn:2:69566:139371,CN(C)C1(CNC2C[C@H]3C[C@@H](C24CC4)C3(C)C)CN2CCC1CC2,UTKXBSGSWCIBAI-WVNPWQTNSA-N
-rxn:2:69566:78193,CN(C)C1(CNC2CC3CC[C@]2(C)C3(C)C)CN2CCC1CC2,IUHWKIGZBFKVAN-JLYZFGFVSA-N
-rxn:2:69578:88564,CC12COC3(S(=O)(=O)[O-])C1CCC2(C)C3NCC1C2CCC(F)(F)C21,SQTQOYSENURLAS-UHFFFAOYSA-M
-rxn:2:69818:88564,CC1(CNC2C3(C)CCC4C3(C)COC42S(=O)(=O)[O-])CCCCC1(F)F,SEGJSAFLRSZPIZ-UHFFFAOYSA-M
-rxn:2:70085:75928,CCC(Nc1ccc(N(C)C2CCCC(C)C2)nc1OC)C(c1sccc1C)C(C)C,SECJYMBOXOWBAU-UHFFFAOYSA-N
-rxn:2:70359:105965,CC(C)(C)OC1CC(NOCC2C3CC4CC(C3)CC2C4)C1,ZIVPHTGCRNMJEL-UHFFFAOYSA-N
-rxn:2:70400:143973,CS(=N)(=O)C1CC(NC2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)C1,JSRYSPGFGIHRSW-UHFFFAOYSA-N
-rxn:2:70495:139138,CN1CCC(Oc2ccc(CNC3CC4CCC3(CS(=O)(=O)[O-])C4(C)C)cc2)CC1,KWCIGJMWAAOVGY-UHFFFAOYSA-M
-rxn:2:70685:82932,CN(C)C(C)(CNC1CC(S(=O)(=O)F)C1)C12CC3CC(CC(C3)C1)C2,PPQNWQONSHJKNE-UHFFFAOYSA-N
-rxn:2:70958:171582,CCCC(C(Nc1ccc(OCC2CCCC2)cc1)c1ccc2c(c1)CCCC2)N1CCCC1,BXUWKEHJNNAOJG-UHFFFAOYSA-N
-rxn:2:71064:171582,CCCC(C(NC1(Cc2ccc(OC)cc2)CC1)c1ccc2c(c1)CCCC2)N1CCCC1,CFAQFWOKPRGTSC-UHFFFAOYSA-N
-rxn:2:71311:171582,CCCC(C(NC(C)(C)COc1ccccn1)c1ccc2c(c1)CCCC2)N1CCCC1,OTUZIPQNBDWPIL-UHFFFAOYSA-N
-rxn:2:72131:120191,CCC(NC1CC2(CC(COCc3ccccc3)C2)C1)C(c1ccncc1)N1CCCCC1C,GICOVOSQJAJQHZ-UHFFFAOYSA-N
-rxn:2:72131:149407,CCC(NC(CC1=NCCO1)c1ccc2[nH]c(=O)[nH]c2c1)C(c1ccncc1)N1CCCCC1C,JKIXVMKIEVLFPH-UHFFFAOYSA-N
-rxn:2:72131:172557,CCCOc1ncccc1-c1ccc2c(c1)CCCC2NC(CC)C(c1ccncc1)N1CCCCC1C,UUKWESIFMSXWOH-UHFFFAOYSA-N
-rxn:2:72607:109579,CCCCC1CCC(c2cc(NC(c3ccccc3OC(C)C)C3CCCO3)[nH]n2)CC1,PEJMRNGNHPJUCS-UHFFFAOYSA-N
-rxn:2:72676:139138,CN(CCc1ccccc1)C1CCC(NC2CC3CCC2(CS(=O)(=O)[O-])C3(C)C)CC1,KIPREOIGNNCKKC-UHFFFAOYSA-M
-rxn:2:73107:139138,CC(c1ccccc1)N1CCC(CNC2CC3CCC2(CS(=O)(=O)[O-])C3(C)C)CC1,RFGUCJLQZDSUCW-UHFFFAOYSA-M
-rxn:2:73631:143818,CC(CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)Nc1cn(CC2CCC2)nc1C1CCCCC1,YTLIGAKFRWYGQY-UHFFFAOYSA-N
-rxn:2:73676:120481,CS(=O)(=O)C(CNCC1CC1c1ccc(S(=O)(=O)F)cc1)C1CCCC1,ZBGQOXAWJNSAGU-UHFFFAOYSA-N
-rxn:2:73700:130348,CN(C1CCC(NC2C3(C)CN4CN(C3)CC2(c2cccs2)C4)CC1)C1CCS(=O)(=O)C1,RMPKTWQWPNIESN-UHFFFAOYSA-N
-rxn:2:74124:155396,CC(=O)c1ccc(C2C(CSC(C)Nc3ccc(OCC4(C)CCCC4)nc3)C2(F)F)nc1,HSGOZYHTQJGSOT-UHFFFAOYSA-N
-rxn:2:74203:168624,CS(=O)(=O)CC(NCC12C3C4C5C3C1C5C42)c1ccc(S(C)(=O)=O)cc1,GIWVKPAIDKQFQM-UHFFFAOYSA-N
-rxn:2:74747:108348,CC12CCC(C1)C(C)(C)C2CNC1C[C@H]2CC[C@]1(CS(=O)(=O)[O-])C2(C)C,OIPNVPQFKXIUMR-VBKDULGFSA-M
-rxn:2:74747:80137,CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)[O-])C(NOCC1CC3(C1)CC(F)(F)C3)C2,YZWFIPINRICRHM-SNVMCYLTSA-M
-rxn:2:74771:143818,CC(CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)NCC1CN(c2ncc(C3CCC3)cn2)CCO1,FNNBGEJWNZYUIE-UHFFFAOYSA-N
-rxn:2:74888:149880,CC(NCC(C1CCOC1)N1CCC(N(C)C)CC1)c1ccc(-c2ccc3n[nH]c(=O)n3n2)s1,POOQZVNXAKNSKJ-UHFFFAOYSA-N
-rxn:2:74888:164747,CC(NCC(C1CCOC1)N1CCC(N(C)C)CC1)c1ccc(-c2ccc3n[nH]c(=O)n3n2)cn1,OAPJYMQWZILKBU-UHFFFAOYSA-N
-rxn:2:74929:115389,CCC(C(Nc1ccnc(OCCC(C)C)c1)c1ccc2c(c1)CCCC2)N1CCCC1,YVIKVVKWGYFTAK-UHFFFAOYSA-N
-rxn:2:76287:139138,Cc1ccsc1C(NC1CC2CCC1(CS(=O)(=O)[O-])C2(C)C)C1CCOCC1,UZZNRJCYKQRBGG-UHFFFAOYSA-M
-rxn:2:76499:139138,Cc1cccc(C(CNC2CC3CCC2(CS(=O)(=O)[O-])C3(C)C)N(C)C2CCOCC2)c1,JLZHFVLHCPLUBI-UHFFFAOYSA-M
-rxn:2:76543:139138,CC1(C)C2CCC1(CS(=O)(=O)[O-])C(NC1(c3ccc[nH]c3=O)COC1)C2,VLRXYSPEPUZWIH-UHFFFAOYSA-M
-rxn:2:77594:139138,CC(NC1CC2CCC1(CS(=O)(=O)[O-])C2(C)C)c1cccc(C23CCN(C)CC2C3)c1,HYAHVEMJWBVYKZ-UHFFFAOYSA-M
-rxn:2:77927:139138,CC1(C)C2CCC1(CS(=O)(=O)[O-])C(NOCC1(F)CCC1)C2,DEKMJZAGEGKDBV-UHFFFAOYSA-M
-rxn:2:78219:112215,CCC(C(Nc1cccnc1OCCN1CCOCC1)c1ccc2c(c1)CCC2)N1CCCC1,MNRNYBXOVNZWLL-UHFFFAOYSA-N
-rxn:2:78219:115389,CCC(C(Nc1cccnc1OCCN1CCOCC1)c1ccc2c(c1)CCCC2)N1CCCC1,HUMRISWKUCCCCY-UHFFFAOYSA-N
-rxn:2:78810:143818,CC(CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)NCC1CCCN(C2CC2)C1c1cncn1C,HHLXHGNEMQRPIV-UHFFFAOYSA-N
-rxn:2:79025:143818,CC(CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)Nc1cc(N2CCN(C3CCCC3)CC2)ncn1,FLOAGDRCRKFYSQ-UHFFFAOYSA-N
-rxn:2:79130:143480,CC(C)COc1cncc(N2CCC(NC3(C(c4ccc5oc(=O)[nH]c5c4)N(C)C)CC3)CC2)c1,SLBKBZPTBHEGEJ-UHFFFAOYSA-N
-rxn:2:79181:103022,CN(CC(NC1CC2CC1C2)C(C)(C)C)C1CCCC1,ZUVSKVIFMPIUEF-UHFFFAOYSA-N
-rxn:2:79199:101165,CCC[C@H]1CC[C@H](c2ccc(C(C)Nc3cnc(OCCN4CCCCC4)nc3)cc2)CC1,AQAGSORSDNKVBX-JKBWNCLQSA-N
-rxn:2:79361:111610,C=C=CC(NC1(COS(=O)(=O)[O-])CCCC1)c1ccc(OC)c(OC)c1,BHVVKMDLBBLIAA-UHFFFAOYSA-M
-rxn:2:79439:132856,CN(CC1CCC(NC2CC3CCC2CC3)CC1)C(C)(C)C,VXGYYDZKHIVGSR-UHFFFAOYSA-N
-rxn:2:79439:99675,CN(CC1CCC(NC2CCC3CC2C3)CC1)C(C)(C)C,HXTGKYKEUOXZPI-UHFFFAOYSA-N
-rxn:2:79662:126170,CCCC(C(Nc1ncccc1OCC1CCOC1)c1ccc2c(c1)CCC2)N1CCCC1,NYOXODJAOYBBLH-UHFFFAOYSA-N
-rxn:2:79800:123239,C[C@@H]1CC(NCCS(=O)(=O)N=S(C)(C)=O)C[C@H](C)N1Cc1ccccc1,CUIAEGKIFDQJTF-BYICEURKSA-N
-rxn:2:79906:109800,CCC(C(Nc1ccc(OC2CCN(CC)CC2)nc1)c1ccccc1)N1CCCOCC1,YVQUXWOEUQLYQM-UHFFFAOYSA-N
-rxn:2:79906:112215,CCC(C(Nc1ccc(OC2CCN(CC)CC2)nc1)c1ccc2c(c1)CCC2)N1CCCC1,IAYDGANGYJPLJD-UHFFFAOYSA-N
-rxn:2:79916:111610,Cc1cccc(C(CN(C)C2CC2)NC2(COS(=O)(=O)[O-])CCCC2)c1,LWUCLPONDNCOAU-UHFFFAOYSA-M
-rxn:2:80137:139138,CC1(C)C2CCC1(CS(=O)(=O)[O-])C(NOCC1CC3(C1)CC(F)(F)C3)C2,YZWFIPINRICRHM-UHFFFAOYSA-M
-rxn:2:80746:111610,CC(=O)c1cc(C2CC2CSC(C)NC2(COS(=O)(=O)[O-])CCCC2)cs1,NPUQNGXIVZYESV-UHFFFAOYSA-M
-rxn:2:81297:106594,CC(ONC1CC2(F)CCC1(C)C2(C)C)C1C2CC3CC(C2)CC1C3,GSOVGRLMENMMQX-UHFFFAOYSA-N
-rxn:2:81447:100976,CS(=O)(=O)c1cccc(C2(CNC3CC4CCC(C3)N4CC3CC3)CC2)c1,IZSFKBNAVDMYIS-UHFFFAOYSA-N
-rxn:2:81976:139138,CSc1ccccc1C1(NC2CC3CCC2(CS(=O)(=O)[O-])C3(C)C)CCCC1,IFZJKDNSGIOJHD-UHFFFAOYSA-M
-rxn:2:82709:161239,CCCC1CC2CN(C)CC(CNC(CSc3n[nH]c(=O)[nH]c3=O)c3cccc(OC)c3)(C1)C2(F)F,CVLZUDRPNUMFAN-UHFFFAOYSA-N
-rxn:2:82895:171582,CCCC(C(NCCOc1ccc2c(c1)CCCC2)c1ccc2c(c1)CCCC2)N1CCCC1,MODNOFIXGNZEDA-UHFFFAOYSA-N
-rxn:2:82940:126600,Cc1ccc(C(C)NC[C@H]2CC[C@@H](S(C)(=O)=O)CC2)c(OS(=O)(=O)F)c1,VKSGGNHVEBGODO-GOOCMWNKSA-N
-rxn:2:83031:139138,CC1(C)C2CCC1(CS(=O)(=O)[O-])C(NC1C(F)(F)C13CCC3)C2,QHHIAGOETHHSOY-UHFFFAOYSA-M
-rxn:2:83088:88564,Cc1ccccc1C(CCN1CCN(C)CC1)NC1C2(C)CCC3C2(C)COC31S(=O)(=O)[O-],JPSGJKULFRKMOV-UHFFFAOYSA-M
-rxn:2:83305:120312,COCC(ONCC(CC(C)C)OC)C1C2CC3CC(C2)CC1C3,LQRHJARKAZEPQE-UHFFFAOYSA-N
-rxn:2:83377:171582,CCCC(C(Nc1ccc(OCC2CCCO2)cc1)c1ccc2c(c1)CCCC2)N1CCCC1,NOSSJTCOIYTKGH-UHFFFAOYSA-N
-rxn:2:83747:168561,C[Si](C)(C)Oc1ccc([C@@H](NC(C#CN2CCCCC2)c2ccc3[nH]c(=O)[nH]c3c2)C2CC2)cc1,OTFLFGKZUPINDI-WKDCXCOVSA-N
-rxn:2:84015:80137,CC1(C)C2CC[C@]1(CS(=O)(=O)[O-])C(NOCC1CC3(C1)CC(F)(F)C3)C2,YZWFIPINRICRHM-KVULBXGLSA-M
-rxn:2:84015:94986,CC1(C)C2CC[C@]1(CS(=O)(=O)[O-])C(NCC1CC3(C1)C(F)(F)C31CC1)C2,WVDTXNULWBCSOP-IEKYFPHUSA-M
-rxn:2:84241:135343,COS(=O)(=O)CC12CCC(CC1NCC1(c3cccnc3)CS(=O)(=O)C1)C2(C)C,GJAACFXVFJFYFD-UHFFFAOYSA-N
-rxn:2:84594:103053,CN(C1CCC(NC2CC[C@@H]3CC[C@H]23)CC1)C(C)(C)C,LEODFIYZAUABAN-VATXVYSQSA-N
-rxn:2:84594:104301,CN(C1CCC(NCC2C3CC4CC(C3)CC2C4)CC1)C(C)(C)C,PJUVQJSPQXVSLY-UHFFFAOYSA-N
-rxn:2:84594:114254,CN(C1CCC(NC23CC4CC2C3C4)CC1)C(C)(C)C,KWVKXTHTUWUYPA-UHFFFAOYSA-N
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-rxn:2:84594:133932,CN(C1CCC(NCCC2CC3CCC2CC3)CC1)C(C)(C)C,CCYGPJDJRDCQBL-UHFFFAOYSA-N
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-rxn:2:119952:148296,CN1CC(NC2CCC(c3ccc(S(C)(=O)=O)cc3)CC2)CC(c2csc3c2OCO3)C1,AVEBKTKUWZGFJP-UHFFFAOYSA-N
-rxn:2:120136:126600,Cc1ccc(C(C)NCCC2CCN(C3CC3)CC2)c(OS(=O)(=O)F)c1,IHFWOFZBUDNDMF-UHFFFAOYSA-N
-rxn:2:120901:155396,CC(=O)c1ccc(C2C(CSC(C)Nc3[nH]c(C)nc3N(C)C3CCCC3)C2(F)F)nc1,QCTMGXKSFQDCIP-UHFFFAOYSA-N
-rxn:2:121266:162583,CN1C2CC3CC1CC(NC(c1ccc(-c4cnn(S(C)(=O)=O)c4)cc1)C1CC1)(C3)C2,PUUTUWWCSORNMS-UHFFFAOYSA-N
-rxn:2:121390:142268,CO[C@H]1CC(NC(C#CN2CCOCC2)c2ccc3c(c2)OCO3)C[C@@H]1OC,CTWPFUONQCKBLD-MFUMQWNRSA-N
-rxn:2:121430:126600,Cc1ccc(C(C)NC2CCCC2N2CCN(C)CC2)c(OS(=O)(=O)F)c1,XCNXRXNSOHHVTA-UHFFFAOYSA-N
-rxn:2:121517:126600,Cc1ccc(C(C)NCC2CCCC2N2CCCC2c2cccnc2)c(OS(=O)(=O)F)c1,CPVOVGIQUBHVJL-UHFFFAOYSA-N
-rxn:2:121533:126600,Cc1ccc(C(C)NC2C3CN(C)CC2CN(Cc2ccccn2)C3)c(OS(=O)(=O)F)c1,MPBUYBGRQIIJPR-UHFFFAOYSA-N
-rxn:2:122009:143973,COc1ncc(C(CNC2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)N2CCCCC2)cn1,SKUWVEOSCLONFB-UHFFFAOYSA-N
-rxn:2:122151:126600,Cc1ccc(C(C)NCCN2CCN(C3CCC3)CC2)c(OS(=O)(=O)F)c1,SUCQVPOTIPIYTB-UHFFFAOYSA-N
-rxn:2:122430:143818,CC(CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)NC1CCCCCC1N(C)CCc1ccncc1,ZVIHBPXEOABAEO-UHFFFAOYSA-N
-rxn:2:123410:126170,CCCC(C(Nc1cccc2c1CCCN(C)C2)c1ccc2c(c1)CCC2)N1CCCC1,SQVPHJWTNVMBMT-UHFFFAOYSA-N
-rxn:2:123410:171582,CCCC(C(Nc1cccc2c1CCCN(C)C2)c1ccc2c(c1)CCCC2)N1CCCC1,BPUICAUIADWDFE-UHFFFAOYSA-N
-rxn:2:123472:126600,Cc1ccc(C(C)NCC(C2CC2)N(C)C2CCN(C)CC2)c(OS(=O)(=O)F)c1,HXIJZJADSKHSFG-UHFFFAOYSA-N
-rxn:2:123685:171550,CCS(=O)(=O)C1CCC(NC2CCC(c3ccc(-c4cccc5c4OCO5)cc3)CC2)CC1,ZTPYRDBTILLZPO-UHFFFAOYSA-N
-rxn:2:124302:140202,CC(NCC(C1CC1)N(C)C1CCCCC1)c1ccc(OS(C)(=O)=O)cc1,MGCKXYBHFOAMLL-UHFFFAOYSA-N
-rxn:2:124978:139454,CC(C)C1CCCCCC1NC1CCCCCC1CN(C)CC(C)(C)C,ULOBFLINQRPTHL-UHFFFAOYSA-N
-rxn:2:125286:154155,CN(C)C(C1CCC1)C1CCC(NC2COc3ccc(-c4cnn(S(C)(=O)=O)c4)cc32)CC1,BKSCGJAFBZQOSC-UHFFFAOYSA-N
-rxn:2:125438:122707,CN(C1CCCC1)C(CNC1CC(C2CCC2)C1)C(C)(C)C,VZEXUWRZTTYCTL-UHFFFAOYSA-N
-rxn:2:125500:145705,CC(C)C(NCC1(F)CCN(C2CCCCC2)CC1)c1ccc(-c2cnc3[nH]c(=O)[nH]c3c2)cc1,SWBPEKZFRSCQOQ-UHFFFAOYSA-N
-rxn:2:126170:167892,CCCC(C(Nc1ccc(Cn2nc3n(c2=O)CCCC3)cn1)c1ccc2c(c1)CCC2)N1CCCC1,JURJCYPXRMQFKN-UHFFFAOYSA-N
-rxn:2:126600:134281,Cc1ccc(C(C)NCC2CC3(CCN(C)CC3)C2)c(OS(=O)(=O)F)c1,NAAAXKLEBSSXME-UHFFFAOYSA-N
-rxn:2:126600:136990,Cc1ccc(C(C)Nc2cccc3c2CN(C2CCN4CCCC24)C3)c(OS(=O)(=O)F)c1,DQIIFRHRDPMHGP-UHFFFAOYSA-N
-rxn:2:126650:143818,CC(CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)NCc1cn(C2CCCN(C)C2)nc1C1CC1,NEJQJXPLFNFMAE-UHFFFAOYSA-N
-rxn:2:127551:147107,CC1CCC(CNC(CSc2nc3[nH]ncc3c(=O)[nH]2)c2ccccc2)(N2CC3CCC2C3)CC1,JGSLXUCMYFGPMK-UHFFFAOYSA-N
-rxn:2:128206:126600,Cc1ccc(C(C)NC2CCC(c3cc4c([nH]3)CCOCC4)N(C)C2)c(OS(=O)(=O)F)c1,JMHXTJGXFZCJGC-UHFFFAOYSA-N
-rxn:2:128813:143973,COc1ccccc1C(CN1CCC(C)CC1)NC1CCN(C2=NS(=O)(=O)c3ccccc32)CC1,KOPAWFZCKFWIBB-UHFFFAOYSA-N
-rxn:2:129505:126170,CCCC(C(Nc1ncccc1CN1CCC(N(C)C)CC1)c1ccc2c(c1)CCC2)N1CCCC1,XPOALIBYYAJUFK-UHFFFAOYSA-N
-rxn:2:129758:126600,Cc1ccc(C(C)NCC2(N(C)C3CC3)CC3CCC(C2)N3C)c(OS(=O)(=O)F)c1,BJAROSUAINKYLT-UHFFFAOYSA-N
-rxn:2:129920:171582,CCCC(C(Nc1ccc2c(c1)OC(COC)CO2)c1ccc2c(c1)CCCC2)N1CCCC1,WBHDFSCRRNHEIO-UHFFFAOYSA-N
-rxn:2:131811:171582,CCCC(C(Nc1cccc(N2CCC(N(C)C)CC2)c1)c1ccc2c(c1)CCCC2)N1CCCC1,LUBKEPSGZYGKBS-UHFFFAOYSA-N
-rxn:2:133006:126600,Cc1ccc(C(C)Nc2nccc(C3CCCN3C3CCCCC3)n2)c(OS(=O)(=O)F)c1,GJPTURGWRZCSKI-UHFFFAOYSA-N
-rxn:2:133145:132367,COC(CNC(c1ccc(C(C)(C)C)cc1C)C1CCCC1)C1CCC1,ZXFDJVRFJMXYMJ-UHFFFAOYSA-N
-rxn:2:133419:151752,CC(NC(c1n[nH]c(=O)[nH]1)C1C2CC3CC(C2)CC1C3)c1cc(-c2ccccc2)ccc1OS(=O)(=O)F,DVXITTQDZPLZFE-UHFFFAOYSA-N
-rxn:2:133521:143973,COc1ccccc1C(CNC1CCN(C2=NS(=O)(=O)c3ccccc32)CC1)N1CCCCCC1,HUNJDNMYHDWTHW-UHFFFAOYSA-N
-rxn:2:133648:162583,Cc1nc(C2CC(NC(c3ccc(-c4cnn(S(C)(=O)=O)c4)cc3)C3CC3)C2)[nH]c1C1CCCCC1,NQQAJCJGKPQKCC-UHFFFAOYSA-N
-rxn:2:135637:126600,Cc1ccc(C(C)NCc2c3c(nn2C2CCN(C)CC2)CC2CC32)c(OS(=O)(=O)F)c1,XQEAWIZPWGYXCC-UHFFFAOYSA-N
-rxn:2:136059:147107,CC1CCCCC1(CNC(CSc1nc2[nH]ncc2c(=O)[nH]1)c1ccccc1)N1CC2CCC1C2,JKGSQNJAVYIRFM-UHFFFAOYSA-N
-rxn:2:136206:147107,CN(C1CC1)C(CNC(CSc1nc2[nH]ncc2c(=O)[nH]1)c1ccccc1)C1C2CC3CC(C2)CC1C3,ZAYRCKXMWDATFM-UHFFFAOYSA-N
-rxn:2:136487:147968,CCCCC(/N=c1\ncc2c([nH]1)CC(C)(C)CC2=O)NCCC1C(c2ccnc(OC)c2)C1(F)F,PYFBXZNSNSULCV-UHFFFAOYSA-N
-rxn:2:136611:143973,CN1CCC(c2ccc(CNC3CCN(C4=NS(=O)(=O)c5ccccc54)CC3)cn2)CC1,ARPZKSIISQFDHI-UHFFFAOYSA-N
-rxn:2:136751:139138,CC1(C)C2CCC1(CS(=O)(=O)[O-])C(NCc1ccsc1S(=O)(=O)C1CC1)C2,YJIWFQPQPMTGHL-UHFFFAOYSA-M
-rxn:2:136990:126600,Cc1ccc(C(C)Nc2cccc3c2CN(C2CCN4CCCC24)C3)c(OS(=O)(=O)F)c1,DQIIFRHRDPMHGP-UHFFFAOYSA-N
-rxn:2:137361:171582,CCCC(C(Nc1ccc2c(c1)N(C)CCCC2)c1ccc2c(c1)CCCC2)N1CCCC1,RITVZTIBDDUDKS-UHFFFAOYSA-N
-rxn:2:137817:73401,CCC1CCC(C2CCC(NC3Cc4ccccc4C3(C)C)CC2)CC1,GUVKCMLXTJSVFS-UHFFFAOYSA-N
-rxn:2:137892:143818,CC(CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)NCc1cn(C2CCCC2)nc1C1CCCCC1,GJQAYRBHCBGPTH-UHFFFAOYSA-N
-rxn:2:138098:145705,CC(C)C(NCC1CN(C)CCCN1CCN(C)C)c1ccc(-c2cnc3[nH]c(=O)[nH]c3c2)cc1,RBNNUVBFLSUILF-UHFFFAOYSA-N
-rxn:2:138115:142605,CC(CC12CC3CC(C1)CC(N(C)C)(C3)C2)NC(c1c[nH]c2ncnn2c1=O)C(C)C,WASMFRDSDYWZPB-UHFFFAOYSA-N
-rxn:2:138268:143818,CC(CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)NCCN1CCC(c2ccc3c(c2)CCN3C)C1,NHEDTVXAAMMCEK-UHFFFAOYSA-N
-rxn:2:138363:126600,Cc1ccc(C(C)NCC2CCN(C3CCCN(C)CC3)CC2)c(OS(=O)(=O)F)c1,CCWZCAVWPCQUGY-UHFFFAOYSA-N
-rxn:2:138984:154155,CN(C1CCC1)C1CCC(NC2COc3ccc(-c4cnn(S(C)(=O)=O)c4)cc32)CC1,OXYIQIRYBVNXEL-UHFFFAOYSA-N
-rxn:2:138984:154180,CN(C1CCC1)C1CCC(NC2COc3cc(-c4cnn(S(C)(=O)=O)c4)ccc32)CC1,XENRGKVIXNSHCQ-UHFFFAOYSA-N
-rxn:2:138984:165217,CN(C1CCC1)C1CCC(NC2COc3cccc(-c4cnn(S(C)(=O)=O)c4)c32)CC1,QQDTVCDBDBWFMO-UHFFFAOYSA-N
-rxn:2:139310:154927,Cc1cc(C(NCC2CC(OS(C)(=O)=O)C2)c2ccccc2)cnc1N1CCN(C)CC1,BNFFHHVOULRTCB-UHFFFAOYSA-N
-rxn:2:140986:126600,Cc1ccc(C(C)NC2CN(C)CC2C2CCOC2)c(OS(=O)(=O)F)c1,NHEAYUNJYZZIBV-UHFFFAOYSA-N
-rxn:2:142300:171582,CCCC(C(Nc1c(OC)cnn1-c1cc(C2CC2)ccn1)c1ccc2c(c1)CCCC2)N1CCCC1,OIYKGMUMSBRXTE-UHFFFAOYSA-N
-rxn:2:144792:126170,CCCC(C(Nc1cn(-c2cnccc2OC)nc1C1CCC1)c1ccc2c(c1)CCC2)N1CCCC1,CADRNKCUWKSEAT-UHFFFAOYSA-N
-rxn:2:146601:171582,CCCC(C(Nc1nn(-c2cccnc2OC)c2c1C1CC1C2)c1ccc2c(c1)CCCC2)N1CCCC1,GTYIHFWVWYFDNW-UHFFFAOYSA-N
-rxn:2:147968:152798,CCCCC(/N=c1\ncc2c([nH]1)CC(C)(C)CC2=O)NC(c1nc(-c2cccc(OC)c2)n[nH]1)C(C)C,GDLLCVNSAXIRSA-UHFFFAOYSA-N
-rxn:2:147968:160173,CCCCC(/N=c1\ncc2c([nH]1)CC(C)(C)CC2=O)NC(c1nc(-c2ccc(OC)cc2)n[nH]1)C(C)C,ZNGONNICCHDDOL-UHFFFAOYSA-N
-rxn:2:149615:171582,CCCC(C(Nc1cc(C2CCC2)nn1-c1ccncc1OC)c1ccc2c(c1)CCCC2)N1CCCC1,XLALZHPRLGCDQM-UHFFFAOYSA-N
-rxn:2:149899:169437,CC(C)CSC(=N)C(F)(F)c1ccc2c(c1)CCC2Nn1cnc2nc(N3CCCC3)ncc2c1=O,VRQZDSNUIKUYBS-UHFFFAOYSA-N
-rxn:2:155041:171582,CCCC(C(Nn1ccc2nc(N3CCCCC3)ncc2c1=O)c1ccc2c(c1)CCCC2)N1CCCC1,CRPVGIJRGCCXDZ-UHFFFAOYSA-N
-rxn:2:157532:171582,CCCC(C(Nc1ccc2[nH]c3c(c2c1)CCN(C)C3)c1ccc2c(c1)CCCC2)N1CCCC1,CMYPKCXSPDIYOU-UHFFFAOYSA-N
-rxn:2:162464:126170,CCCC(C(Nc1cc(C2CC2)nn1-c1ccc(C)nc1OC)c1ccc2c(c1)CCC2)N1CCCC1,RLUDJLLXFJJPIK-UHFFFAOYSA-N
-rxn:2:163598:171582,CCCC(C(Nc1nc(-c2cccc(OC)c2)nc2c1CCC2)c1ccc2c(c1)CCCC2)N1CCCC1,DOVNBRGFHZLERF-UHFFFAOYSA-N
-rxn:2:167805:171582,CCCC(C(Nc1cccc(-c2ncn(C3CC3)n2)c1OC)c1ccc2c(c1)CCCC2)N1CCCC1,JIRLFUKISYOTLQ-UHFFFAOYSA-N
-rxn:2:66038:147439,CC(NC1CCC(OS(C)(=O)=O)CC1)c1ccc(-c2cccc(N3CCOCC3)c2)s1,STYKNGWDENGSIM-UHFFFAOYSA-N
-rxn:2:66038:152792,CC(NC1CCC(OS(C)(=O)=O)CC1)c1ccccc1-c1cnc(N2CCOCC2)s1,LOSPDKKWWNOPGX-UHFFFAOYSA-N
-rxn:2:66038:160659,CC(NC1CCC(OS(C)(=O)=O)CC1)c1cc(-c2cccc(N3CCOCC3)c2)cs1,RLAKENIZTZHYQH-UHFFFAOYSA-N
-rxn:2:66816:126600,Cc1ccc(C(C)NC2CCN(C3CCN(C)CC3)CC2)c(OS(=O)(=O)F)c1,DNJJMBQTNGTEDZ-UHFFFAOYSA-N
-rxn:2:67891:139138,CC12CC3CC(C1)C(CNC1CC4CCC1(CS(=O)(=O)[O-])C4(C)C)C(C3)C2,AXWSIVYBRHFTAL-UHFFFAOYSA-M
-rxn:2:67932:123131,CN(C)C1(C)CCC(NCC2CN3CCCN2CC3)CC1,ISZXETKBCGODNV-UHFFFAOYSA-N
-rxn:2:68439:117066,CC(NCC1CCN(C2CCN(C)CC2)C1)c1ccc(OS(=O)(=O)[O-])cc1,ACLLLIHSUBDMSJ-UHFFFAOYSA-M
-rxn:2:68654:166901,COC1CCC(N2CCC(NC3COc4ccc(-c5ccc(S(C)(=O)=O)cc5)cc43)CC2)CC1,SDINSNQLEPBYPN-UHFFFAOYSA-N
-rxn:2:68813:160933,CCCC(NCC(N(C)OC)C12CC3CC(CC(C3)C1)C2)c1ccc(-c2cnc3nc[nH]c3c2)cc1,AIEMXUAVGHFKOG-UHFFFAOYSA-N
-rxn:2:68924:73866,CC(NCC(C)C12CC3CC(C1)CC(N(C)C)(C3)C2)c1cn(C)c(=O)n(C)c1=O,SBVXEFDSBCHUCQ-UHFFFAOYSA-N
-rxn:2:69403:89452,CN(C1CCOCC1)C1(CNC(CS(=O)(=O)[O-])c2ccccc2)CCSC1,QZJDUROHIYXWGT-UHFFFAOYSA-M
-rxn:2:69415:123476,CC(C)c1cc(NC2CCN(c3cc(C4CCOC4)ncn3)CC2)ccc1OS(=O)(=O)F,MYHYYFIWJVTCSO-UHFFFAOYSA-N
-rxn:2:69415:137849,CC(C)c1cc(NC2CCCN(c3ccc(C4CCOCC4)nn3)C2)ccc1OS(=O)(=O)F,WWFJIRBMOOLZTK-UHFFFAOYSA-N
-rxn:2:69415:71908,CC(C)c1cc(NC2CCC(c3nccc(C4CCCCC4)n3)CC2)ccc1OS(=O)(=O)F,NNEPZNFHURJGMG-UHFFFAOYSA-N
-rxn:2:69447:125295,CSCC(NC1CC(CS(=O)(=O)F)C1)C1C2CC3CC(C2)CC1C3,SQCJPFGCQYZULW-UHFFFAOYSA-N
-rxn:2:69447:99502,CSCC(NC1CC(CS(=O)(=O)c2ccccc2)C1)C1C2CC3CC(C2)CC1C3,NROPDQXGKUNXSK-UHFFFAOYSA-N
-rxn:2:69558:69566,CCCCN1CCC(NCC2(N(C)C)CN3CCC2CC3)CC1,NJZKWLDFKSYPFM-UHFFFAOYSA-N
-rxn:2:69924:146246,CCOC1CN(c2ncccc2NC(C)c2ccnc(-c3ccc(OC4CCOCC4)nc3)c2)CC1OC,LZYZLSXHXSJQBD-UHFFFAOYSA-N
-rxn:2:69927:107562,CN1CCC2(C1)Oc1ccccc1C2CNCC1(CS(=O)(=O)F)CCC1,GHZBMAIKDKCUSS-UHFFFAOYSA-N
-rxn:2:70123:74747,CCS(=O)(=O)c1ccc(C(NC2C[C@H]3CC[C@]2(CS(=O)(=O)[O-])C3(C)C)C2CC2)cc1,DQXAXCVGHXIZRP-ABRVWIGJSA-M
-rxn:2:71216:164871,CN1CCC(N2CCC(NC3COc4cc(-c5ccc(S(C)(=O)=O)cc5)ccc43)CC2)C1,FERIUWUCNZINBC-UHFFFAOYSA-N
-rxn:2:71216:166901,CN1CCC(N2CCC(NC3COc4ccc(-c5ccc(S(C)(=O)=O)cc5)cc43)CC2)C1,VBOVYHJEIVFKAU-UHFFFAOYSA-N
-rxn:2:73055:128132,CC1CC(C)C(C2CC3CCC2C3)C(Nc2cncc(OS(=O)(=O)F)c2)C1,HVEDORZQIKMSOL-UHFFFAOYSA-N
-rxn:2:73383:84594,CN1C2CCCC1CC(NC1CCC(N(C)C(C)(C)C)CC1)C2,UAGYLSOATKRKQX-UHFFFAOYSA-N
-rxn:2:73760:163343,COCC1CN(c2ncccc2NC(C)c2ccc(OC)c(-c3cnc(N4CCCC4)nc3)c2)CC1(C)C,DBYGAXBHKHQPIF-UHFFFAOYSA-N
-rxn:2:74134:126600,Cc1ccc(C(C)NCC(C2CCOC2)N(C)C2CCCN(C)C2)c(OS(=O)(=O)F)c1,NNPPHCCTBPRQQB-UHFFFAOYSA-N
-rxn:2:74769:143973,COc1ccccc1C(CNC1CCN(C2=NS(=O)(=O)c3ccccc32)CC1)N1CCCCC1,ODNLZNXXWBLQAA-UHFFFAOYSA-N
-rxn:2:74981:139138,CC1(C)C2CCC1(CS(=O)(=O)[O-])C(NC1(C3(c4cccs4)COC3)CC1)C2,SPQUTFJRIVNLHA-UHFFFAOYSA-M
-rxn:2:75013:139310,CC(NCC1CC(OS(C)(=O)=O)C1)c1cccc(C23CCN(C)CC2C3)c1,ZXIGKJBTQWKDDG-UHFFFAOYSA-N
-rxn:2:75222:117066,CC(NCC(C1CCOCC1)N(C)C1CCCC1)c1ccc(OS(=O)(=O)[O-])cc1,XQHWOCDZPDKNFB-UHFFFAOYSA-M
-rxn:2:75326:126600,Cc1ccc(C(C)NCCN(C)[C@H]2CCCN(C)C2)c(OS(=O)(=O)F)c1,WITFQOZOGMIMMT-LYKKTTPLSA-N
-rxn:2:75350:126600,Cc1ccc(C(C)NC2COCC2N2CCOCC2)c(OS(=O)(=O)F)c1,DKCRWCQCLLGUDW-UHFFFAOYSA-N
-rxn:2:75640:166901,CN1CCN(C2CCC(NC3COc4ccc(-c5ccc(S(C)(=O)=O)cc5)cc43)CC2)CC1,GDCICXMYRQXSMW-UHFFFAOYSA-N
-rxn:2:76532:89452,COC1CCOC2(CCN(CCCNC(CS(=O)(=O)[O-])c3ccccc3)CC2)C1,SHKWFDCDIMSNCH-UHFFFAOYSA-M
-rxn:2:76870:126170,CCCC(C(NC1CC(N(C)C)C1)c1ccc2c(c1)CCC2)N1CCCC1,RNOKUFUBDKBONR-UHFFFAOYSA-N
-rxn:2:76931:171582,CCCC(C(Nc1cc(OC)ccc1N1CCCCC1)c1ccc2c(c1)CCCC2)N1CCCC1,MOAGDCJYLJUVCW-UHFFFAOYSA-N
-rxn:2:77583:129883,CC(C)C(N(C)C)C(C)(C)CNC(C#CN1CCCC1)c1ccc[nH]1,ZSPSTRCILQNEKM-UHFFFAOYSA-N
-rxn:2:77711:126600,Cc1ccc(C(C)NCc2c3c(nn2C2CCOCC2)CC2CC32)c(OS(=O)(=O)F)c1,FAVPPKIQGBLLJA-UHFFFAOYSA-N
-rxn:2:78354:148609,CC(NC1CCN(c2cc(N3CCN(C)CC3)ncn2)C1)C(c1ccc2[nH]c(=O)oc2c1)N(C)C,RZMGGLLTYUUGLD-UHFFFAOYSA-N
-rxn:2:78456:162583,CN1CC2CCC(C1)N2CCNC(c1ccc(-c2cnn(S(C)(=O)=O)c2)cc1)C1CC1,DKPFAEAXSBSOOQ-UHFFFAOYSA-N
-rxn:2:78810:126600,Cc1ccc(C(C)NCC2CCCN(C3CC3)C2c2cncn2C)c(OS(=O)(=O)F)c1,LCAOHBALVXHRPE-UHFFFAOYSA-N
-rxn:2:79107:171582,CCCC(C(Nc1ccc(N2CCC(N(C)C)CC2)cc1C)c1ccc2c(c1)CCCC2)N1CCCC1,DUTSQFXIIZRFSY-UHFFFAOYSA-N
-rxn:2:79439:140353,CN(CC1CCC(NC(C2CC2)C2CC2)CC1)C(C)(C)C,KFDKHJPIWVVYMV-UHFFFAOYSA-N
-rxn:2:79899:139138,CCSc1ccc(C(NC2CC3CCC2(CS(=O)(=O)[O-])C3(C)C)C2CC2)cc1,VIRDBZPQVKFPFY-UHFFFAOYSA-M
-rxn:2:82813:143973,Cc1cccc(C(CNC2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)N2CCN(C)CC2)c1C,WPQQBYRHGFLRCS-UHFFFAOYSA-N
-rxn:2:82871:125295,CSCC(CC1C2CC3CC(C2)CC1C3)NC1CC(CS(=O)(=O)F)C1,HBTCBSKIQDWCJJ-UHFFFAOYSA-N
-rxn:2:84594:105951,CN(C1CCC(NCC2CC3CCC(C3)C2)CC1)C(C)(C)C,VRMZAFPCGUQGNY-UHFFFAOYSA-N
-rxn:2:84594:109276,CN(C1CCC(NC2CC(C3CCC3)C2)CC1)C(C)(C)C,BVNHEUORTPZZNO-UHFFFAOYSA-N
-rxn:2:84594:140772,CN(C1CCC(NCC2CC3CCCC(C3)C2)CC1)C(C)(C)C,UJSYCUXRGVRITN-UHFFFAOYSA-N
-rxn:2:84594:141595,CN(C1CCC(NC2CCC(C3CC3)CC2)CC1)C(C)(C)C,OUWNOQQSVBFZCR-UHFFFAOYSA-N
-rxn:2:84594:92352,CN(C1CCC(NC2CCC3CCC2C3)CC1)C(C)(C)C,SCAJXKSFIHAMSX-UHFFFAOYSA-N
-rxn:2:84594:96225,CN(C1CCC(NC2CC3CCC(C3)C2)CC1)C(C)(C)C,RESLLFDLOALZOC-UHFFFAOYSA-N
-rxn:2:84731:143973,COC1CCN(C(CNC2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)c2cnn(C)c2)CC1,QNOVVTLFGGFCKP-UHFFFAOYSA-N
-rxn:2:84731:152317,COC1CCN(C(CNC(C)c2ccc(OCc3ccccc3)c3c2=CCC(=O)N=3)c2cnn(C)c2)CC1,XEGXFHMKHYSIOM-UHFFFAOYSA-N
-rxn:2:85470:126600,Cc1ccc(C(C)NCc2nnc(CC3C4CC5CC(C4)CC3C5)[nH]2)c(OS(=O)(=O)F)c1,UKBFROUFXPQPSE-UHFFFAOYSA-N
-rxn:2:85543:126170,CCCC(C(NCC1CC(N(C)C)C1)c1ccc2c(c1)CCC2)N1CCCC1,QKYWEXHGTSEUOD-UHFFFAOYSA-N
-rxn:2:85634:104372,CN1CCC(c2c[nH]c(C3CCC(NCc4ccc(CN=S(C)(C)=O)cc4)CC3)n2)C1,LTXHPPZWZNLFAB-UHFFFAOYSA-N
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-rxn:2:94495:142268,COC1C[C@@H]2CC(NC(C#CN3CCOCC3)c3ccc4c(c3)OCO4)[C@@H]2C1,QFDAXSCDSXESNQ-YCXWFYTMSA-N
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-rxn:2:96022:160893,CCS(=O)(=O)c1ccc(-c2cccc(C(C)NC3CCN(C4CCSCC4)CC3)c2)cc1,CPGDXHWXKWLLMX-UHFFFAOYSA-N
-rxn:2:96431:126600,Cc1ccc(C(C)NCC2CCCC2N2CCN(C)CC2)c(OS(=O)(=O)F)c1,CTLFAIJXPKPIEE-UHFFFAOYSA-N
-rxn:2:97394:126600,Cc1ccc(C(C)NC2CCOCC2N2CCOCC2)c(OS(=O)(=O)F)c1,WYVPVLONYHQSQS-UHFFFAOYSA-N
-rxn:2:97909:126600,CCN1CCCC1c1n[nH]c2c1C(NC(C)c1ccc(C)cc1OS(=O)(=O)F)CCC2,KJQAQLCBMQGBJY-UHFFFAOYSA-N
-rxn:2:98219:126170,CCCC(C(N[C@H]1CC[C@@H](CN(C)C)CC1)c1ccc2c(c1)CCC2)N1CCCC1,SLVZSRDWIBKHLG-HGADETCKSA-N
-rxn:2:99349:171582,CCCC(C(NCC1CCC(N(C)C)CC1)c1ccc2c(c1)CCCC2)N1CCCC1,HVSLWPWCFQQKPD-UHFFFAOYSA-N
-rxn:2:99871:128441,CCSC(CNC(CCS(=O)(=O)F)C1CC1)C1C2CC3CC(C2)CC1C3,DOGOKWHLFUJRQU-UHFFFAOYSA-N
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-rxn:1:11077:61257,CC1CC(N2CC(n3cc(CON=C(c4ccc(Cl)cc4)C4CC4)nn3)C2)CC(C)(C)C1,UDDONMOYLTZBBO-UHFFFAOYSA-N
-rxn:1:11078:61257,CC1CC(N2CC(n3cc(CON=C(c4ccc(F)cc4)C4CC4)nn3)C2)CC(C)(C)C1,PGWIRHYRIMHUJV-UHFFFAOYSA-N
-rxn:1:13812:59779,Cc1c(C#N)cccc1-c1cc(-c2cn(C3CCN(S(=O)(=O)N4CCCCCC4)CC3)nn2)nc(N)n1,FQCNQPJETGPHJR-UHFFFAOYSA-N
-rxn:1:13812:59780,Cc1c(C#N)cccc1-c1cc(-c2cn(C3CCCN(S(=O)(=O)N4CCCCCC4)C3)nn2)nc(N)n1,JCAPCXBNPKTEON-UHFFFAOYSA-N
-rxn:1:1487:52751,O=S(=O)(F)c1ccccc1C1CC1CCn1cc(C2CCCN(S(=O)(=O)C3CC3)C2)nn1,MBQMSUNBGZOHLO-UHFFFAOYSA-N
-rxn:1:15085:59616,CC1(C)OB(C(F)=C(Cn2cc(Cn3[nH]c(=O)cc3C(=O)NC3CC3)nn2)c2cccs2)OC1(C)C,KKDLMAITEBBMPO-UHFFFAOYSA-N
-rxn:1:15669:49467,N#Cc1ccc(S(=O)(=O)N2CCC(n3cc(-c4cn(C5CC5)nc4C4CCCCC4)nn3)CC2)cc1,LFBRUTGKDUCHKS-UHFFFAOYSA-N
-rxn:1:18054:54813,CCn1nc2c(c1-c1cn(CCC3C(c4ccc(C5CCNCC5)cc4)C3(F)F)nn1)CN(C(=O)OC)C2,SBAYCJNVQBPJNX-UHFFFAOYSA-N
-rxn:1:18591:49467,N#Cc1ccc(S(=O)(=O)N2CCC(n3cc(-c4nn(C5CCCCC5)cc4C4CCC4)nn3)CC2)cc1,DQEWQHPLPMMCJZ-UHFFFAOYSA-N
-rxn:1:18593:49467,N#Cc1ccc(S(=O)(=O)N2CCC(n3cc(-c4nn(C5CCSCC5)cc4C4CCC4)nn3)CC2)cc1,XELWESCWSVCOBM-UHFFFAOYSA-N
-rxn:1:22763:59833,O=S(=O)(NC12CC3CC(CC(C3)C1)C2)n1cc(-c2cncc(-n3nc(C4CCC4)c(Br)c3O)c2)nn1,WDYJMOZZTZUVNT-UHFFFAOYSA-N
-rxn:1:22765:59833,O=S(=O)(NC12CC3CC(CC(C3)C1)C2)n1cc(-c2cncc(-n3nc(C4CCC4)c(I)c3O)c2)nn1,WKCZAFKXOUCZJY-UHFFFAOYSA-N
-rxn:1:22854:62345,CCCc1nn(-c2cncc(-c3cn(C4CN(C(=O)OC(C)(C)C)C5(CCC5)C4)nn3)c2)c(Cl)c1I,ZTELVQMHYJXFAJ-UHFFFAOYSA-N
-rxn:1:22858:62345,CCCc1nn(-c2cncc(-c3cn(C4CN(C(=O)OC(C)(C)C)C5(CCC5)C4)nn3)c2)c(Br)c1I,UUHSHXNYEOHFJG-UHFFFAOYSA-N
-rxn:1:22860:62345,CCCc1nn(-c2cncc(-c3cn(C4CN(C(=O)OC(C)(C)C)C5(CCC5)C4)nn3)c2)c(I)c1Br,YXKLXILZMMGJTA-UHFFFAOYSA-N
-rxn:1:22861:62345,CCCc1nn(-c2cncc(-c3cn(C4CN(C(=O)OC(C)(C)C)C5(CCC5)C4)nn3)c2)c(I)c1Cl,OEHCXVAPLOQCND-UHFFFAOYSA-N
-rxn:1:22927:59833,O=S(=O)(NC12CC3CC(CC(C3)C1)C2)n1cc(-c2cncc(-n3nc(C4CNC4)c(I)c3O)c2)nn1,SYNLDCNSGSPLMZ-UHFFFAOYSA-N
-rxn:1:23071:59473,CC(C)(C)OC(=O)N1CC(c2cn(CCCCc3ccc4ncnc(Cl)c4c3)nn2)OCC12CC2,OOJMYDCFHLIVQF-UHFFFAOYSA-N
-rxn:1:23892:49469,COc1ccccc1S(=O)(=O)N1CCC(n2cc(C3(OC)CN4CCC3CC4)nn2)CC1,IBPSNPDVRQAVSQ-UHFFFAOYSA-N
-rxn:1:23892:59763,COc1ccc(S(=O)(=O)N2CCC(n3cc(C4(OC)CN5CCC4CC5)nn3)CC2)cc1,FVIWFYDWRPHCAR-UHFFFAOYSA-N
-rxn:1:24161:49471,CN(C)C1CCC(c2cn(C3CCN(S(=O)(=O)Cc4ccccc4F)CC3)nn2)CC1,VFRCBIPFHYRPGP-UHFFFAOYSA-N
-rxn:1:29062:55099,CC(C)(C=C(F)B1OC(C)(C)C(C)(C)O1)CCc1cn(-c2nonc2-c2nonc2-c2nonc2[N+](=O)[O-])nn1,CJBUFFOATZWZTH-UHFFFAOYSA-N
-rxn:1:29454:49467,N#Cc1ccc(S(=O)(=O)N2CCC(n3cc(C[N+]45CN6CN(CN(C6)C4)C5)nn3)CC2)cc1,MLPWFJTUQYHTBW-UHFFFAOYSA-N
-rxn:1:29454:58397,CN(CCCn1cc(C[N+]23CN4CN(CN(C4)C2)C3)nn1)C1CCS(=O)(=O)C1,KHWYQUKTEAJCRP-UHFFFAOYSA-N
-rxn:1:29889:42236,O=C(O)c1[nH]ncc1C#CCn1cc(C(=O)N2CC[C@H]3C[C@@H]2C(=O)NCCCN(Cc2ccncc2F)CCOc2ccccc23)nn1,LAPZZBVYSBCWMA-RBISFHTESA-N
-rxn:1:29899:51523,O=C(O)c1ncccc1-n1cc(C(=O)N2CC[C@H]3C[C@@H]2C(=O)NCCCN(Cc2ncccc2F)CCOc2ccccc23)nn1,KIKIXPXXIAJNNQ-KDYSTLNUSA-N
-rxn:1:30998:43377,CC(C)(C)OC(=O)N1CCO[C@]2(C1)C[C@H](c1cn(CC#Cc3ccc4c(Cl)ncnc4c3)nn1)C2,DRSCAHJJFILFDZ-HMRCJKRNSA-N
-rxn:1:31415:62052,COC(=O)C(=O)c1ccccc1-c1cn(-c2nc3c(=N)n4cnc3n2C2OC(COP(=O)(O)OP(=O)(O)OCC3OC4C(O)C3O)C(O)C2O)nn1,LXLTVKPJZJZCHJ-UHFFFAOYSA-N
-rxn:1:32299:52619,C=CCOC(=O)N1CC2(CCOCC2)C1c1cn(CCC2CC2c2c[nH]c3nccc(Cl)c23)nn1,YBIWLVGSXDWQMW-UHFFFAOYSA-N
-rxn:1:32299:52620,C=CCOC(=O)N1CC2(CCOCC2)C1c1cn(CCC2CC2c2c[nH]c3ncc(Br)cc23)nn1,PZWYLLSUPIHPOV-UHFFFAOYSA-N
-rxn:1:32299:54805,C=CCOC(=O)N1CC2(CCOCC2)C1c1cn(CCC2C(c3ccc4[nH]c(=O)[nH]c(=O)c4c3)C2(F)F)nn1,KVJFNEDOPDKGBT-UHFFFAOYSA-N
-rxn:1:32299:59354,C=CCOC(=O)N1CC2(CCOCC2)C1c1cn(CCCCc2c[nH]c3nccc(Cl)c23)nn1,PBZPANUFTVCAPQ-UHFFFAOYSA-N
-rxn:1:32299:59355,C=CCOC(=O)N1CC2(CCOCC2)C1c1cn(CCCCc2c[nH]c3ncc(Br)cc23)nn1,VNKJQQCHJSIFRG-UHFFFAOYSA-N
-rxn:1:33054:53145,CCC1CCC(N(C)C(=O)c2ccc(C)c(-c3cn(CCC4CC4c4c[nH]c5nc(Cl)nc(Cl)c45)nn3)c2)CC1,XECFOVMXNYUSRO-UHFFFAOYSA-N
-rxn:1:40586:29914,CN1CC2(CCCN(Cc3ccncc3F)CCn3cc(cn3)C1=O)CCN(C(=O)c1cn(CCCCCO)nn1)CC2,HDVBEAJWQBPPRX-UHFFFAOYSA-N
-rxn:1:40707:9534,CCOC1CCCCC1n1cc(COC(=O)N2CCC(c3nc4cc(F)ccc4[nH]3)CC2)nn1,DTVANRNYVPXDOS-UHFFFAOYSA-N
-rxn:1:40974:29914,C=CCn1cc(C(=O)N2CCC3(CCCN(Cc4ccncc4F)CCn4cc(cn4)C(=O)N(C)C3)CC2)nn1,JYZSZUYFEXHMRH-UHFFFAOYSA-N
-rxn:1:41247:29090,CC1(C)OB(C(F)=C2CCN(c3cc(-c4cn(CC=Cc5cccc6c5C(=O)OC6=O)nn4)ncn3)CC2)OC1(C)C,FZSMRGLDCMZBBK-UHFFFAOYSA-N
-rxn:1:41793:4411,COc1ccc2nc(Cl)c(C=CCn3cc(CCN4CCCC4C(=O)N4CCNCC4)nn3)cc2c1,XTQYHCGACBTMOK-UHFFFAOYSA-N
-rxn:1:42236:29826,O=C(O)c1[nH]ncc1C#CCn1cc(C(=O)N2CC[C@H]3C[C@@H]2C(=O)NCCN(Cc2ccncc2F)CCCOc2ccccc23)nn1,PUYQTQKUOBPMJW-RBISFHTESA-N
-rxn:1:42236:29829,O=C(O)c1[nH]ncc1C#CCn1cc(C(=O)N2CC[C@H]3C[C@@H]2C(=O)NCCN(Cc2ncccc2F)CCCOc2ccccc23)nn1,YDAABEGYAUOHGY-RBISFHTESA-N
-rxn:1:42236:29899,O=C(O)c1[nH]ncc1C#CCn1cc(C(=O)N2CC[C@H]3C[C@@H]2C(=O)NCCCN(Cc2ncccc2F)CCOc2ccccc23)nn1,AAGYPXKFMYCYSC-RBISFHTESA-N
-rxn:1:43043:14889,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@H]43)[C@@H]1CC[C@@]2(OS(=O)(=O)[O-])c1cn(-c2ccc(CS(=O)(=O)F)cc2)nn1,JRLLMUNBQNHFTG-VGSPSRCMSA-M
-rxn:1:43086:29914,CCC1COC(Cn2cc(C(=O)N3CCC4(CCCN(Cc5ccncc5F)CCn5cc(cn5)C(=O)N(C)C4)CC3)nn2)C1,IKJUFDUCFJROLB-UHFFFAOYSA-N
-rxn:1:43455:18112,COC(=O)N1CCc2nn(CCF)c(-c3cn(CC#Cc4ccc(C5CCNCC5)cc4)nn3)c2C1,VRCWDSHFIQTPDO-UHFFFAOYSA-N
-rxn:1:435:49340,CC(C)(C)OC(=O)N1CCCN([C@@H]2COC[C@@H]2n2cc(-c3ccnc4c(Cl)cccc34)nn2)CC1,VCQPWSFKYFPAFP-YADHBBJMSA-N
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-rxn:1:44183:33319,Cc1ccc(C(=O)N2CC(N3CC(N(C)C)C3)C2)cc1-c1cn(CCC#Cc2ccc(F)nc2F)nn1,NZSCYDPVNRCUBP-UHFFFAOYSA-N
-rxn:1:44415:29090,CC1(C)OB(C(F)=C2CCN(c3cc(-c4cn(CCC#Cc5cccnc5[N+](=O)[O-])nn4)ncn3)CC2)OC1(C)C,DCBYNPHPERPUOX-UHFFFAOYSA-N
-rxn:1:44511:29914,CN1CC2(CCCN(Cc3ccncc3F)CCn3cc(cn3)C1=O)CCN(C(=O)c1cn(CC(O)CCl)nn1)CC2,PTVACWVWSHUTGG-UHFFFAOYSA-N
-rxn:1:45210:18110,COC(=O)N1CCc2nn(C3CCSCC3)c(-c3cn(CCC#Cc4ccc(CBr)cc4)nn3)c2C1,XFKCKAKTYVMEEO-UHFFFAOYSA-N
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-rxn:1:46572:18112,COC(=O)N1CCc2nn(CCF)c(-c3cn(CCC=Cc4cnc(N5CCCC5)nc4)nn3)c2C1,UCXNVXAGYSAPAP-UHFFFAOYSA-N
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-rxn:1:49136:29914,COC(CO)Cn1cc(C(=O)N2CCC3(CCCN(Cc4ccncc4F)CCn4cc(cn4)C(=O)N(C)C3)CC2)nn1,CHNINWMLUYHYQR-UHFFFAOYSA-N
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-rxn:1:49469:34589,CCC1CCC(C(=O)Nc2ncc(Br)nc2-c2cn(C3CCN(S(=O)(=O)c4ccccc4OC)CC3)nn2)CC1,LNCHIDFFLYYGJA-UHFFFAOYSA-N
-rxn:1:50482:33976,CCN1CCC(C(=O)Nc2ccc(-c3cn(CC4C(c5cnc(N(C)C)nc5)C4(F)F)nn3)nc2)CC1,KBVWVIDBTLDBCF-UHFFFAOYSA-N
-rxn:1:50513:5242,C=C(C)Cn1c(SCc2cn(CCCCCI)nn2)nc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2,UIHVQXPOCPSBPG-UHFFFAOYSA-N
-rxn:1:50872:19906,CCc1cc(-c2cn(CC3C(c4cccnc4C(=O)OC)C3(F)F)nn2)n(C(C)C2CCCOC2)n1,CGRPZXOSNLAOSQ-UHFFFAOYSA-N
-rxn:1:50872:8213,COCc1nnc(C2CCN(C(=O)c3cn(CC4C(c5cccnc5C(=O)OC)C4(F)F)nn3)CC2)o1,HFHXTZZWKYJYMY-UHFFFAOYSA-N
-rxn:1:50881:19906,CCc1cc(-c2cn(CC3C(c4ccc(C(=O)OC)cn4)C3(F)F)nn2)n(C(C)C2CCCOC2)n1,GZOLOYCXKIIBJN-UHFFFAOYSA-N
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-rxn:1:51456:39585,CCN1CCC(NCc2cn(CC3C(c4cc(C(=O)OC)c5cn[nH]c5c4)C3(F)F)nn2)CC1,QZYMKYFIGDGHNR-UHFFFAOYSA-N
-rxn:1:51456:4196,CCCN1CCC(NCc2cn(CC3C(c4cc(C(=O)OC)c5cn[nH]c5c4)C3(F)F)nn2)CC1,OBUGQRXERLBZND-UHFFFAOYSA-N
-rxn:1:51456:5000,CCN1CCC2(CC1)CN(Cc1cn(CC3C(c4cc(C(=O)OC)c5cn[nH]c5c4)C3(F)F)nn1)c1ccc(F)cc1N2,XGTCDCIOSXJWEQ-UHFFFAOYSA-N
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-rxn:1:51456:6198,CCOC(=O)C1CCN(c2cc(-c3cn(CC4C(c5cc(C(=O)OC)c6cn[nH]c6c5)C4(F)F)nn3)ncn2)CC1,BLAHNHXFDDTPFN-UHFFFAOYSA-N
-rxn:1:51456:7947,CCn1cc(CN2CCN(C(=O)c3cn(CC4C(c5cc(C(=O)OC)c6cn[nH]c6c5)C4(F)F)nn3)CC2)cn1,ITGOKCNPOJINNB-UHFFFAOYSA-N
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-rxn:1:51457:4791,COC(=O)c1ccc2c(C3C(Cn4cc(CN5CCCCC5C(=O)N5CCNCC5)nn4)C3(F)F)n[nH]c2c1,FLHBEAHAAMNRLX-UHFFFAOYSA-N
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-rxn:1:51471:5512,COC(=O)c1ccc2c(C3C(Cn4cc(COc5c6c(nc7cc(C8CCOCC8)nn57)CCC6)nn4)C3(F)F)c[nH]c2c1,LOTGVSZEURULDC-UHFFFAOYSA-N
-rxn:1:51523:29829,O=C(O)c1ncccc1-n1cc(C(=O)N2CC[C@H]3C[C@@H]2C(=O)NCCN(Cc2ncccc2F)CCCOc2ccccc23)nn1,QNOAOSSJVAFTFF-KDYSTLNUSA-N
-rxn:1:51533:29090,CC1(C)OB(C(F)=C2CCN(c3cc(-c4cn(C5=NNC6(C(=O)N5)c5ccccc5-c5ccccc56)nn4)ncn3)CC2)OC1(C)C,UNZABTNCOREWQI-UHFFFAOYSA-N
-rxn:1:51538:29859,O=C(Cl)Cn1cc(C(=O)N2CC[C@@H]3C[C@H]2C(=O)NCCCN(Cc2ncccc2F)CCCOc2ccccc23)nn1,SAYXUHUHBGOANG-NLFFAJNJSA-N
-rxn:1:51581:29914,CCOCCn1cc(C(=O)N2CCC3(CCCN(Cc4ccncc4F)CCn4cc(cn4)C(=O)N(C)C3)CC2)nn1,BQBCMSDDZXXXAF-UHFFFAOYSA-N
-rxn:1:51661:33319,Cc1ccc(C(=O)N2CC(N3CC(N(C)C)C3)C2)cc1-c1cn(CCC2CC2c2cnc(Br)cn2)nn1,KZHULCZQAOZNDB-UHFFFAOYSA-N
-rxn:1:51711:29914,CN1CC2(CCCN(Cc3ccncc3F)CCn3cc(cn3)C1=O)CCN(C(=O)c1cn(CCCF)nn1)CC2,HHWBGARKFZPREP-UHFFFAOYSA-N
-rxn:1:52083:33319,Cc1ccc(C(=O)N2CC(N3CC(N(C)C)C3)C2)cc1-c1cn(CCC2CC2c2cc(Br)cnc2Cl)nn1,YVUABCFAVRKAED-UHFFFAOYSA-N
-rxn:1:52102:29914,CN1CC2(CCCN(Cc3ccncc3F)CCn3cc(cn3)C1=O)CCN(C(=O)c1cn(CC(C)(O)CBr)nn1)CC2,MQZJSRSBNCIIGD-UHFFFAOYSA-N
-rxn:1:52281:29914,COCCCCn1cc(C(=O)N2CCC3(CCCN(Cc4ccncc4F)CCn4cc(cn4)C(=O)N(C)C3)CC2)nn1,QPMVKFHPWGDAIA-UHFFFAOYSA-N
-rxn:1:5242:46761,C=C(C)Cn1c(SCc2cn(CCC=Cc3c[nH]c4nc(Cl)nc(Cl)c34)nn2)nc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2,GXVXXJXQRDLDIE-UHFFFAOYSA-N
-rxn:1:52680:33319,Cc1ccc(C(=O)N2CC(N3CC(N(C)C)C3)C2)cc1-c1cn(CCC2CC2c2cnc3ccc(Cl)nn23)nn1,XKKUNRRZYATKTE-UHFFFAOYSA-N
-rxn:1:53172:18112,COC(=O)N1CCc2nn(CCF)c(-c3cn(CCC4CC4c4cccc(N5CCNCC5)c4)nn3)c2C1,SARNTCTYKOABDQ-UHFFFAOYSA-N
-rxn:1:53173:18112,COC(=O)N1CCc2nn(CCF)c(-c3cn(CCC4CC4c4ccc(N5CCNCC5)cc4)nn3)c2C1,QCASFUNUHCGDPV-UHFFFAOYSA-N
-rxn:1:53175:29090,CC1(C)OB(C(F)=C2CCN(c3cc(-c4cn(CCC5CC5c5ccc6[nH]c(=O)[nH]c(=O)c6c5)nn4)ncn3)CC2)OC1(C)C,RVNPJVQHUVWSPH-UHFFFAOYSA-N
-rxn:1:54263:18110,COC(=O)N1CCc2nn(C3CCSCC3)c(-c3cn(CCC4C(c5cnc6[nH]ccc6c5)C4(F)F)nn3)c2C1,KYVBUSBIAQSVGC-UHFFFAOYSA-N
-rxn:1:54264:5242,C=C(C)Cn1c(SCc2cn(CCC3C(c4cnc5c(c4)CCN5)C3(F)F)nn2)nc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2,SBWDYUGNNREZNN-UHFFFAOYSA-N
-rxn:1:54264:6379,C=C(C)Cn1c(SCc2cn(CCC3C(c4cnc5c(c4)CCN5)C3(F)F)nn2)nc2c(c1=O)C1(CCCC1)Cc1ccccc1-2,MEKIBCDNZZFUPI-UHFFFAOYSA-N
-rxn:1:54273:18110,COC(=O)N1CCc2nn(C3CCSCC3)c(-c3cn(CCC4C(c5c[nH]c6ncccc56)C4(F)F)nn3)c2C1,GQGCJHJSOILTDV-UHFFFAOYSA-N
-rxn:1:54329:6379,C=C(C)Cn1c(SCc2cn(CCC3C(c4ccc5[nH]c(=O)[nH]c5c4)C3(F)F)nn2)nc2c(c1=O)C1(CCCC1)Cc1ccccc1-2,QCQFPUIONGBZLN-UHFFFAOYSA-N
-rxn:1:55099:29101,CC1(C)OB(C(F)=C2CCCC2Cc2cn(-c3nonc3-c3nonc3-c3nonc3[N+](=O)[O-])nn2)OC1(C)C,DQMJDYDDVWUULU-UHFFFAOYSA-N
-rxn:1:55099:29102,CC1(C)OB(C(F)=C2CCCCC2Cc2cn(-c3nonc3-c3nonc3-c3nonc3[N+](=O)[O-])nn2)OC1(C)C,HGOZAPIKEWGBSW-UHFFFAOYSA-N
-rxn:1:55948:29914,CN1CC2(CCCN(Cc3ccncc3F)CCn3cc(cn3)C1=O)CCN(C(=O)c1cn(CCI)nn1)CC2,JOHKILKANFVNMX-UHFFFAOYSA-N
-rxn:1:56016:18114,CCOC(=O)N1CCc2nn(C3CCCCC3)c(-c3cn(CC4CC4c4c[nH]c5ncc(Br)cc45)nn3)c2C1,WYIREADKPQRODK-UHFFFAOYSA-N
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-rxn:1:56244:29072,CC1(C)OB(C(F)=Cc2cc(-c3cccnc3)nn2Cc2cn(CCNC(=O)c3cc(=O)[nH]c(=O)[nH]3)nn2)OC1(C)C,DCVJJLDANVYDKL-UHFFFAOYSA-N
-rxn:1:56244:29084,CC1(C)OB(C(F)=Cc2cn(Cc3cn(CCNC(=O)c4cc(=O)[nH]c(=O)[nH]4)nn3)nc2-c2cccs2)OC1(C)C,CQMXZSVLGYIQIB-UHFFFAOYSA-N
-rxn:1:56562:29914,CCC(C)n1cc(C(=O)N2CCC3(CCCN(Cc4ccncc4F)CCn4cc(cn4)C(=O)N(C)C3)CC2)nn1,XXEKIZQPFXEDEK-UHFFFAOYSA-N
-rxn:1:56567:33976,CCN1CCC(C(=O)Nc2ccc(-c3cn(CC4CC4c4cnc(Cl)c(C(=O)OC)c4)nn3)nc2)CC1,IWTWXJBSGQGMKR-UHFFFAOYSA-N
-rxn:1:56570:35153,CCN(C(=O)c1ccc(-c2cn(CC3CC3c3cc(C(=O)OC)cnc3Cl)nn2)cc1Cl)C1CCOCC1,FQNGMXNQRGKLSB-UHFFFAOYSA-N
-rxn:1:56572:29914,CC(C#N)Cn1cc(C(=O)N2CCC3(CCCN(Cc4ccncc4F)CCn4cc(cn4)C(=O)N(C)C3)CC2)nn1,GRNLNZRBUSSAEY-UHFFFAOYSA-N
-rxn:1:56904:4411,COc1ccc2nc(Cl)c(C3CC3Cn3cc(CCN4CCCC4C(=O)N4CCNCC4)nn3)cc2c1,RAKMEYZLTNKXQX-UHFFFAOYSA-N
-rxn:1:59223:33772,CC(C)(C)[C@H]1CC[C@H](C(=O)Nc2ccc(-c3cn(CCCCc4c(Cl)nc(Cl)nc4Cl)nn3)nc2)CC1,VDNDSNQTAIFKNC-QAQDUYKDSA-N
-rxn:1:59268:33772,CC(C)(C)[C@H]1CC[C@H](C(=O)Nc2ccc(-c3cn(CCCCc4ccc(N)c(Cl)c4Cl)nn3)nc2)CC1,IQFTZZWOQRLYBJ-MXVIHJGJSA-N
-rxn:1:59653:9534,CCOc1ccc(C(=O)N2CCC(n3cc(COC(=O)N4CCC(c5nc6cc(F)ccc6[nH]5)CC4)nn3)CC2)cc1,KBLJSDYPKJMHQX-UHFFFAOYSA-N
-rxn:1:59923:29914,CC(Cl)=CCn1cc(C(=O)N2CCC3(CCCN(Cc4ccncc4F)CCn4cc(cn4)C(=O)N(C)C3)CC2)nn1,MMOWEVWQMYTXOF-UHFFFAOYSA-N
-rxn:1:59925:29914,COC[C@@H]1CN[C@H](Cn2cc(C(=O)N3CCC4(CCCN(Cc5ccncc5F)CCn5cc(cn5)C(=O)N(C)C4)CC3)nn2)C1,ZSQKFYZUIGVUEP-IGKIAQTJSA-N
-rxn:1:60022:29914,CC[C@@H](C)n1cc(C(=O)N2CCC3(CCCN(Cc4ccncc4F)CCn4cc(cn4)C(=O)N(C)C3)CC2)nn1,XXEKIZQPFXEDEK-JOCHJYFZSA-N
-rxn:1:60215:29859,COC1C(n2cc(C(=O)N3CC[C@@H]4C[C@H]3C(=O)NCCCN(Cc3ncccc3F)CCCOc3ccccc34)nn2)COC12CCC2,GQOQYHBRPAGFST-SHQQXIKGSA-N
-rxn:1:60331:5669,COc1ccc(OC)c(OC2(c3cn(C(C)(C)C4c5ccccc5OCC5=CNNN54)nn3)CCCC2)c1,KCDGZHITCKGITA-UHFFFAOYSA-N
-rxn:1:60331:5671,COc1cc(OC)cc(OC2(c3cn(C(C)(C)C4c5ccccc5OCC5=CNNN54)nn3)CCCCC2)c1,IJDHQXGCOLUVNR-UHFFFAOYSA-N
-rxn:1:60573:17781,CCCC(=O)c1cc(-c2cn(-c3cccc(C(F)(F)C(=N)Sc4nnc[nH]4)c3)nn2)c2c(c1)C1(CCCCC1)C(=O)N2,OIEHPDSLHQMNOK-UHFFFAOYSA-N
-rxn:1:60663:29914,CCOC1CC(n2cc(C(=O)N3CCC4(CCCN(Cc5ccncc5F)CCn5cc(cn5)C(=O)N(C)C4)CC3)nn2)C1,IUFSDKRDAZOCQW-UHFFFAOYSA-N
-rxn:1:60884:32419,COCC1CC(F)(F)CN1C(=O)Cn1cc(CSC2=NC(=CN(C)C)C(=O)N2)nn1,ITEAMQNFEUCMQB-UHFFFAOYSA-N
-rxn:1:60888:18112,COC(=O)N1CCc2nn(CCF)c(-c3cn(CCN4CC(OC)C(n5cccn5)C4)nn3)c2C1,HKIHAFVRMBUASR-UHFFFAOYSA-N
-rxn:1:60891:25001,CCOC(=O)c1cnc(N2CC(c3cn(CCN4CC(OC)C(n5ccnc5)C4)nn3)CC2=O)s1,MUTFVTOOYKHDJK-UHFFFAOYSA-N
-rxn:1:60891:25217,COC(=O)c1cc(Cl)cc(N2CC(c3cn(CCN4CC(OC)C(n5ccnc5)C4)nn3)CC2=O)c1,MNUQIMUYCYNPTL-UHFFFAOYSA-N
-rxn:1:60891:33976,CCN1CCC(C(=O)Nc2ccc(-c3cn(CCN4CC(OC)C(n5ccnc5)C4)nn3)nc2)CC1,RXLPCCKWLORRKG-UHFFFAOYSA-N
-rxn:1:60891:34590,COC(=O)[C@H]1CN(C(=O)c2ccc(-c3cn(CCN4CC(OC)C(n5ccnc5)C4)nn3)cc2Cl)CCO1,NYYBFQQPUGCABA-XPPIMPSXSA-N
-rxn:1:60891:35532,CCN1CCC(C(=O)Nc2ncc(Br)cc2-c2cn(CCN3CC(OC)C(n4ccnc4)C3)nn2)CC1,QYIGVXYTFWBBLX-UHFFFAOYSA-N
-rxn:1:60915:33029,C=C1CCN(C(=O)c2ccc(-c3cn(CCN(CC)C4CCSCC4)nn3)cc2Cl)CC1,WDQMSLCNFWFZQX-UHFFFAOYSA-N
-rxn:1:60943:4086,CC1=C(C(=O)O)C(c2ccccc2C)N=C(SCc2cn(CCN3CCC(C)(CF)CC3)nn2)N1,UKFXJCXIWAAEID-UHFFFAOYSA-N
-rxn:1:60982:4086,CC1=C(C(=O)O)C(c2ccccc2C)N=C(SCc2cn(CCN3CCC(C(C)(F)F)CC3)nn2)N1,OGOOETKKCXSEJM-UHFFFAOYSA-N
-rxn:1:61019:12851,O=C(OCC1CCOC1)c1ccc(-c2cn(CC(=O)N3CCN(CCF)CC3)nn2)cc1,YDCIHGNUVROWRG-UHFFFAOYSA-N
-rxn:1:61019:13054,CC1CC(OC(=O)c2ccc(-c3cn(CC(=O)N4CCN(CCF)CC4)nn3)cc2)CCO1,HCCQEXOWBWBCRP-UHFFFAOYSA-N
-rxn:1:61019:13371,O=C(NOC1CCCCO1)c1cccc(-c2cn(CC(=O)N3CCN(CCF)CC3)nn2)c1,OQVUHGSZOMHWEU-UHFFFAOYSA-N
-rxn:1:61019:15985,COc1cc(OC)cc(-n2cc(-c3cn(CC(=O)N4CCN(CCF)CC4)nn3)c(C3CCC3)n2)c1,JCRHQVJJIRNORY-UHFFFAOYSA-N
-rxn:1:61019:16248,COc1cccc(-n2cc(-c3cn(CC(=O)N4CCN(CCF)CC4)nn3)c(C3CCCCC3)n2)c1C,DKDZCMVFOPSXQG-UHFFFAOYSA-N
-rxn:1:61019:16562,COc1ccc(OC)c(-n2ncc(-c3cn(CC(=O)N4CCN(CCF)CC4)nn3)c2C2CCC2)c1,BOCVVAFTMCUVOG-UHFFFAOYSA-N
-rxn:1:61019:16598,COc1cc(OC)cc(-n2ncc(-c3cn(CC(=O)N4CCN(CCF)CC4)nn3)c2C2CCCC2)c1,GSIDPOOQZNRWLZ-UHFFFAOYSA-N
-rxn:1:61019:16600,COc1cccc(OC)c1-n1ncc(-c2cn(CC(=O)N3CCN(CCF)CC3)nn2)c1C1CCCC1,SYNNEQCQGZVQPX-UHFFFAOYSA-N
-rxn:1:61019:16746,COc1cccc(-n2ncc(-c3cn(CC(=O)N4CCN(CCF)CC4)nn3)c2C2CCCCC2)c1C,SSYUCEQPIYUIJQ-UHFFFAOYSA-N
-rxn:1:61019:17341,COc1ccc(OC)c(-n2nc(-c3cn(CC(=O)N4CCN(CCF)CC4)nn3)cc2C2CCC2)c1,UZIZHVOJXCLOLP-UHFFFAOYSA-N
-rxn:1:61019:17357,COc1cc(-n2nc(-c3cn(CC(=O)N4CCN(CCF)CC4)nn3)cc2C2CCCC2)ccc1C,VKFZDSVSFTZETM-UHFFFAOYSA-N
-rxn:1:61019:17363,COc1cccc(OC)c1-n1nc(-c2cn(CC(=O)N3CCN(CCF)CC3)nn2)cc1C1CCCC1,BVVKMIMBMOISBB-UHFFFAOYSA-N
-rxn:1:61019:17427,COc1cccc(-n2nc(-c3cn(CC(=O)N4CCN(CCF)CC4)nn3)cc2CC2CCC2)c1C,SXJFODWCHMOCGW-UHFFFAOYSA-N
-rxn:1:61019:17462,COc1cc(OC)cc(-n2nc(-c3cn(CC(=O)N4CCN(CCF)CC4)nn3)cc2C2CCCCC2)c1,JHKSXPLCLHKTNH-UHFFFAOYSA-N
-rxn:1:61019:1975,COC(=O)c1ccc2c(c1)c(-c1cn(CC(=O)N3CCN(CCF)CC3)nn1)nn2C1CCCCO1,DEDDATSNKKBWKL-UHFFFAOYSA-N
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-rxn:1:10253:49466,CCCc1nc2scc(-c3ccc(F)cc3)c2c(=O)n1Cc1cn(C2CCN(S(=O)(=O)C3CCCCC3)CC2)nn1,RJTJYDGMVRVYJS-UHFFFAOYSA-N
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-rxn:1:42017:37247,CC(C)(C)OC(=O)N1CC2(CC(=Cc3cccc(-c4cn(CC#Cc5ccncc5Cl)nn4)c3F)C2)C1,DQFQWEHQWCKWQQ-UHFFFAOYSA-N
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-rxn:1:43633:9825,CCN1CCC2(CC1)CN(Cc1cn(CC#Cc3ccc(Br)cn3)nn1)c1cc(OC)c(OC)cc1N2,UIIRSHSYRJOHID-UHFFFAOYSA-N
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-rxn:1:45099:25217,COC(=O)c1cc(Cl)cc(N2CC(c3cn(CCC#Cc4cccc(N5CCNCC5)c4)nn3)CC2=O)c1,PBCDJVDPPNWFCA-UHFFFAOYSA-N
-rxn:1:45153:35512,CCN1CCCN(C(=O)c2ccc(-c3cn(CCC#Cc4ccc(N5CCN(C)CC5)cc4)nn3)cc2Cl)CC1,BDASGKSMOYVJDI-UHFFFAOYSA-N
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-rxn:1:49472:35310,Cc1ccc(NC(=O)C2CCCCCC2)cc1-c1cn(C2CCN(S(=O)(=O)c3ccc(F)cc3C)CC2)nn1,DKTNYZSCKBVIMP-UHFFFAOYSA-N
-rxn:1:4954:59780,N#Cc1cc(-c2ccc(Cl)cc2)n(Cc2cn(C3CCCN(S(=O)(=O)N4CCCCCC4)C3)nn2)n1,RESGYKMUDJBXPJ-UHFFFAOYSA-N
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-rxn:1:50688:33655,CCN1CCC(C(=O)Nc2cncc(-c3cn(CC4C(c5ccc(OC)cc5OC)C4(F)F)nn3)c2)CC1,LMTDIHWHDJQVTE-UHFFFAOYSA-N
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-rxn:1:61876:8494,CNC(=O)c1sc2ncccc2c1C1CCN(C(=O)c2cn(CC3OCCNCC3(F)F)nn2)CC1,IWQMMNBDCCLLPB-UHFFFAOYSA-N
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-rxn:1:62052:10562,N=c1c2nc(-n3cc(CS(=O)CC(=O)c4ccc(Br)cc4)nn3)n3c2ncn1C1OC(COP(=O)(O)OP(=O)(O)OCC2OC3C(O)C2O)C(O)C1O,VFCWNVPSXPFWFJ-UHFFFAOYSA-N
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-rxn:1:62052:12257,COC(=O)COc1cc(Br)cc(-c2cn(-c3nc4c(=N)n5cnc4n3C3OC(COP(=O)(O)OP(=O)(O)OCC4OC5C(O)C4O)C(O)C3O)nn2)c1,OITOSOLTUZWBQD-UHFFFAOYSA-N
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-rxn:1:62052:3291,N=c1c2nc(-n3cc(C(=O)C(N)C4CCC4)nn3)n3c2ncn1C1OC(COP(=O)(O)OP(=O)(O)OCC2OC3C(O)C2O)C(O)C1O,OBOSTTQODFIWCT-UHFFFAOYSA-N
-rxn:1:62052:39617,N=c1c2nc(-n3cc(CC(N)CC(=O)O)nn3)n3c2ncn1C1OC(COP(=O)(O)OP(=O)(O)OCC2OC3C(O)C2O)C(O)C1O,REMIJOLCMZHANZ-UHFFFAOYSA-N
-rxn:1:62052:4738,N=c1c2nc(-n3cc(CS(=O)(=O)c4ccc(Cc5ccncc5)cc4)nn3)n3c2ncn1C1OC(COP(=O)(O)OP(=O)(O)OCC2OC3C(O)C2O)C(O)C1O,NICOSSVLQHTBJD-UHFFFAOYSA-N
-rxn:1:62052:673,N=c1c2nc(-n3cc(CS(=O)(=O)c4ncc(Cl)cn4)nn3)n3c2ncn1C1OC(COP(=O)(O)OP(=O)(O)OCC2OC3C(O)C2O)C(O)C1O,LYKVGEUYQFACFI-UHFFFAOYSA-N
-rxn:1:62052:7193,N=c1c2nc(-n3cc(-c4ccc(SCCC(F)(F)F)cc4)nn3)n3c2ncn1C1OC(COP(=O)(O)OP(=O)(O)OCC2OC3C(O)C2O)C(O)C1O,FUIWWBZAZRRDHX-UHFFFAOYSA-N
-rxn:1:62167:13870,C[C@]12C=CC(O)C=C1CCC1C2CC[C@@]2(C)C1CC[C@@]2(O)c1cn(C2[C@H]3C[C@@H]4C[C@@H](C[C@H]2C4)C3)nn1,OXNJIBZWHRYZII-JUBVNOLJSA-N
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-rxn:1:62271:11128,CC(=NOCc1cn(-c2nc3c4ncnc3n2C2OC(COP(=O)(OP(=O)(O)O)OCC3OC(N4)C(O)C3O)C(O)C2O)nn1)c1ccc(F)c(F)c1,KRWYXJSMIIEPLG-UHFFFAOYSA-N
-rxn:1:62271:13360,O=C(c1cccc(-c2cn(-c3nc4c5ncnc4n3C3OC(COP(=O)(OP(=O)(O)O)OCC4OC(N5)C(O)C4O)C(O)C3O)nn2)c1)N1CCS(=O)(=O)CC1,UMWNWWLZZFXBLN-UHFFFAOYSA-N
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-rxn:3:45142:8620:69859,CN(C)C1(c2cn(-c3ccc(OCC(=O)N[C@H]4CC[Se]C4)cc3)nn2)CCC(F)(F)CC1,LNNYHHFHNIHRPP-INIZCTEOSA-N
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-rxn:3:48101:8620:65938,CN(C)C1(c2cn(-c3cccc(OCC(=O)NCC4COCCS(=O)(=O)C4)c3)nn2)CCC(F)(F)CC1,TYPFNMQUMNIMPQ-UHFFFAOYSA-N
-rxn:3:48101:8620:69859,CN(C)C1(c2cn(-c3cccc(OCC(=O)N[C@H]4CC[Se]C4)c3)nn2)CCC(F)(F)CC1,SYZAGQKVYJJTLL-INIZCTEOSA-N
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-rxn:3:49499:6404:151783,CN1CCCN(c2ncc(-c3cn(C[C@H]4C[C@H](C(=O)Nc5ccc(OS(=O)(=O)F)c6ccccc56)C4)nn3)cn2)CC1,FRUCUVVFUINWDL-MXVIHJGJSA-N
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-rxn:3:57881:8620:65938,CN(C)C1(c2cn(CCCc3cncc(C(=O)NCC4COCCS(=O)(=O)C4)c3)nn2)CCC(F)(F)CC1,WQNQBKOUGNFDJO-UHFFFAOYSA-N
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-rxn:3:57885:8620:65938,CN(C)C1(c2cn(CCCc3cc(C(=O)NCC4COCCS(=O)(=O)C4)ccn3)nn2)CCC(F)(F)CC1,YZRPFPKUQBPNJT-UHFFFAOYSA-N
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-rxn:3:57889:35117:68267,C=C(C)c1cn(CCCc2ccnc(C(=O)NC3(CCOC)CCC(F)(F)CC3)c2)nn1,CDJVSZUTKFHMTA-UHFFFAOYSA-N
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-rxn:3:59937:27942:67712,CN(C)c1ccncc1-c1cn(C2CCC3(C(=O)NC(C)(C)CC4CC4(F)F)CC23)nn1,HLUDLQIRMMYTDJ-UHFFFAOYSA-N
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-rxn:3:60038:8620:87086,CN(C)C1(c2cn(C3CCCC(C(=O)NCC#Cc4ccc5ccsc5c4)C3)nn2)CCC(F)(F)CC1,JDOLNYJSOUJRMZ-UHFFFAOYSA-N
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-rxn:3:60580:23173:71310,C=CC[C@@H](C(=O)NC(c1ccsc1)C1CCCCCC1)n1cc(C2CCN(CCF)CC2)nn1,ZWEHVMHRCLIEDP-SKCDSABHSA-N
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-rxn:3:60582:24206:69182,C=CC[C@H](C(=O)NCc1cscc1OC)n1cc(C(C)N2CCC(F)(F)CC2)nn1,IHAQDPZAMUFCQO-FBMWCMRBSA-N
-rxn:3:60582:6662:85714,C=CC[C@H](C(=O)NCC1CCC(F)(F)CO1)n1cc(Cn2nc(-c3cccnc3)c3c2CCC3)nn1,VXXNHZCEOPTRMN-AVKWCDSFSA-N
-rxn:3:60582:8620:80289,C=CC[C@H](C(=O)NC(CC)c1cscc1C)n1cc(C2(N(C)C)CCC(F)(F)CC2)nn1,SWZUOHLOWLFPHU-MUMRKEEXSA-N
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-rxn:3:62466:17724:132256,CCCn1nc(-c2cn(C3CCC(C(=O)Nc4cccc(OC5CC5(F)F)c4)C4CCC43)nn2)cc1C1CCCCC1,WTIXQDOMZREXFF-UHFFFAOYSA-N
-rxn:3:62466:17724:153791,CCCn1nc(-c2cn(C3CCC(C(=O)NCC4C(c5ccc6sccc6c5)C4(F)F)C4CCC43)nn2)cc1C1CCCCC1,AYBVFZKDRVLRET-UHFFFAOYSA-N
-rxn:3:62466:18591:136680,COS(=O)(=O)c1cccc(NC(=O)C2CCC(n3cc(-c4nn(C5CCCCC5)cc4C4CCC4)nn3)C3CCC23)c1,KNPUAKOCQVTQMG-UHFFFAOYSA-N
-rxn:3:62466:18591:138685,COS(=O)(=O)c1ccccc1NC(=O)C1CCC(n2cc(-c3nn(C4CCCCC4)cc3C3CCC3)nn2)C2CCC12,CNXMTHWWSFZDSN-UHFFFAOYSA-N
-rxn:3:62466:24161:151783,CN(C)C1CCC(c2cn(C3CCC(C(=O)Nc4ccc(OS(=O)(=O)F)c5ccccc45)C4CCC43)nn2)CC1,DQOCFRIURFPKPH-UHFFFAOYSA-N
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-rxn:3:62466:39600:83860,CN(C)C1CCCN(Cc2cn(C3CCC(C(=O)Nc4cccc(OS(=O)(=O)F)c4)C4CCC43)nn2)C1,JPGKGNFHTQLJSC-UHFFFAOYSA-N
-rxn:3:62466:6120:92547,CC(C)n1ncc(-c2cn(C3CCC(C(=O)Nc4ccc(OS(=O)(=O)F)cc4)C4CCC43)nn2)c1C1CCCCC1,CRRLEELDHWQWDV-UHFFFAOYSA-N
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-rxn:3:62466:6865:69871,CCc1cc(-c2cccs2)nn1Cc1cn(C2CCC(C(=O)NC(C)CC3CCC(F)(F)CC3)C3CCC32)nn1,AFHOZARZZPVOEI-UHFFFAOYSA-N
-rxn:3:62466:7761:98417,CC1(c2cn(C3CCC(C(=O)NCCOS(=O)(=O)c4ccccc4)C4CCC43)nn2)CCCN1C1CC1,XSNYRKLDVFQLET-UHFFFAOYSA-N
-rxn:3:62466:8620:69232,CN(C)C1(c2cn(C3CCC(C(=O)NCCCc4ccoc4)C4CCC43)nn2)CCC(F)(F)CC1,XREJKXGTUKQSKN-UHFFFAOYSA-N
-rxn:3:62466:8620:69486,CN(C)C1(c2cn(C3CCC(C(=O)NCc4cc5sccc5s4)C4CCC43)nn2)CCC(F)(F)CC1,CSJXMELTKDOYIO-UHFFFAOYSA-N
-rxn:3:62466:8620:87086,CN(C)C1(c2cn(C3CCC(C(=O)NCC#Cc4ccc5ccsc5c4)C4CCC43)nn2)CCC(F)(F)CC1,RWUAKZNNACQCGH-UHFFFAOYSA-N
-rxn:3:62466:9959:69509,CCOC1(CNC(=O)C2CCC(n3cc(CSc4nc(-c5cccnc5)cs4)nn3)C3CCC23)CCC(F)(F)CC1,XIUNYCYCIKQSBN-UHFFFAOYSA-N
-rxn:3:62466:9959:69696,CC(C)(NC(=O)C1CCC(n2cc(CSc3nc(-c4cccnc4)cs3)nn2)C2CCC12)C(F)(F)C1CCCC1,UOQTUFSPSWYDRV-UHFFFAOYSA-N
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-rxn:1:60379:29914,CN1CC2(CCCN(Cc3ccncc3F)CCn3cc(cn3)C1=O)CCN(C(=O)c1cn(CC3(F)CCNC3)nn1)CC2,STBMWQFVRRCRFV-UHFFFAOYSA-N
-rxn:1:60612:37068,CC(C)(C)OC(=O)N1CC2(CC(=Cc3ccc(F)cc3-c3cn(Cc4c[nH]nc4C4CC4)nn3)C2)C1,SNHFLIPNLVFKEK-UHFFFAOYSA-N
-rxn:1:60650:9534,COc1cccc(NC(=O)N2CCC(n3cc(COC(=O)N4CCC(c5nc6cc(F)ccc6[nH]5)CC4)nn3)C2)c1,KQXSVUHHSGDKCK-UHFFFAOYSA-N
-rxn:1:60658:18192,Nc1c(C2CCC2)cnn1-c1ccc(-c2cn(C3CCN(S(=O)(=O)N4CCCCCC4)C3)nn2)cc1,HKRWNOMEWPWWFT-UHFFFAOYSA-N
-rxn:1:60658:22746,Nc1cc(C2CCC2)nn1-c1cncc(-c2cn(C3CCN(S(=O)(=O)N4CCCCCC4)C3)nn2)c1,DKLRTBDZWMOMNK-UHFFFAOYSA-N
-rxn:1:60658:22827,Nc1cc(C2CCCC2)nn1-c1cncc(-c2cn(C3CCN(S(=O)(=O)N4CCCCCC4)C3)nn2)c1,DPLRCSOJGLKQGL-UHFFFAOYSA-N
-rxn:1:60658:35408,Cc1nc(-c2cccnc2)sc1C(=O)NCc1cn(C2CCN(S(=O)(=O)N3CCCCCC3)C2)nn1,HFBXAJGUFNKFCC-UHFFFAOYSA-N
-rxn:1:60658:37439,CC(=O)c1ccc(-c2ccccc2-c2cn(C3CCN(S(=O)(=O)N4CCCCCC4)C3)nn2)c2c1OCO2,ZSBBVNBSBWKRAM-UHFFFAOYSA-N
-rxn:1:60848:29570,CCC12CCC3C4CCC(=O)C=C4CCC3C1C=CC2(OS(=O)(=O)[O-])c1cn(S(C)(=O)=O)nn1,UFCMXMBCRNWTFL-UHFFFAOYSA-M
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-rxn:1:60884:33655,CCN1CCC(C(=O)Nc2cncc(-c3cn(CC(=O)N4CC(F)(F)CC4COC)nn3)c2)CC1,UFLYSZZNTNGXLL-UHFFFAOYSA-N
-rxn:1:60900:33029,C=C1CCN(C(=O)c2ccc(-c3cn(CCN4CC(O)C(OC)C4)nn3)cc2Cl)CC1,PINISRCVYBORRZ-UHFFFAOYSA-N
-rxn:1:60922:33746,Cc1cc(C(=O)NCS(=O)(=O)O)ccc1-c1cn(CC(=O)N(C)C2CCOCC2)nn1,ARTRXTHVCCGQOS-UHFFFAOYSA-N
-rxn:1:60942:33338,CCC1(C(=O)Nc2cncc(-c3cn(CC(=O)N4CCC(C)(CF)CC4)nn3)c2)COC1,HJAAXIYFNQVJBI-UHFFFAOYSA-N
-rxn:1:60969:8440,COCC1CN(CCn2cc(C(=O)N3CCCC(c4nccnc4Oc4ccc(Cl)cc4)C3)nn2)CC1(C)C,MDYCQWLWOZVRPX-UHFFFAOYSA-N
-rxn:1:60970:5252,CCN1CCCC(C(C)Nc2cccc(-c3cn(CC(=O)N4CC(CO)C(C)(C)C4)nn3)c2)C1,KHDXXTCSPOAPQK-UHFFFAOYSA-N
-rxn:1:60970:8529,CC(c1ccc(C2CCCC2)cc1)N(C)Cc1cn(CC(=O)N2CC(CO)C(C)(C)C2)nn1,AYIOECFCIXBIKW-UHFFFAOYSA-N
-rxn:1:60976:12974,COCC1CN(CCn2cc(-c3cccc(C(=O)OC4CCN(c5ncc(Br)cn5)CC4)c3)nn2)CC1C,BRFWMFWMZUAGSC-UHFFFAOYSA-N
-rxn:1:60979:33655,CCN1CCC(C(=O)Nc2cncc(-c3cn(CC(=O)N4CCCC(C(C)(F)F)C4)nn3)c2)CC1,JNYFRZUIALPCGM-UHFFFAOYSA-N
-rxn:1:60979:33976,CCN1CCC(C(=O)Nc2ccc(-c3cn(CC(=O)N4CCCC(C(C)(F)F)C4)nn3)nc2)CC1,NQEMURAMTHBMAJ-UHFFFAOYSA-N
-rxn:1:60981:16507,CN(C)Cc1cnn(-c2ccc(-c3cn(CC(=O)N4CCC(C(C)(F)F)CC4)nn3)cc2)c1C1CC1,CMZFLCUHOWIULY-UHFFFAOYSA-N
-rxn:1:61019:33752,CC(=O)N1CCC[C@H]1C(=O)Nc1ccncc1-c1cn(CC(=O)N2CCN(CCF)CC2)nn1,QYAGZALFHUHOGC-FQEVSTJZSA-N
-rxn:1:61019:34087,CC(NC(=O)c1ccc(B2OCCCO2)cc1)c1cn(CC(=O)N2CCN(CCF)CC2)nn1,WPINDHLNRZIGED-UHFFFAOYSA-N
-rxn:1:61019:34342,CC(NC(=O)C1(c2ccccc2)CCOCC1)c1cn(CC(=O)N2CCN(CCF)CC2)nn1,MUWZZVONSWBDNU-UHFFFAOYSA-N
-rxn:1:61019:34597,CN1CCC[C@H]1C(=O)Nc1cncc(-c2cn(CC(=O)N3CCN(CCF)CC3)nn2)c1,ZSRDXCKIYSGIEU-IBGZPJMESA-N
-rxn:1:61019:34917,CC(=O)N1CC[C@H]1C(=O)Nc1ccc(-c2cn(CC(=O)N3CCN(CCF)CC3)nn2)nc1,NKJDPXNFVVTUJP-IBGZPJMESA-N
-rxn:1:61019:35113,CN1CCC(CC(=O)Nc2ccc(-c3cn(CC(=O)N4CCN(CCF)CC4)nn3)nc2)CC1,ULWKXBAWSSQZLF-UHFFFAOYSA-N
-rxn:1:61019:35395,Cc1ccc(NC(=O)C2CCCN2C)cc1-c1cn(CC(=O)N2CCN(CCF)CC2)nn1,TWNNFGMNKIXRIN-UHFFFAOYSA-N
-rxn:1:61053:33976,CCN1CCC(C(=O)Nc2ccc(-c3cn(CC(=O)N4CC(CF)C4)nn3)nc2)CC1,HEFBFRDBWGKCDX-UHFFFAOYSA-N
-rxn:1:61053:5252,CCN1CCCC(C(C)Nc2cccc(-c3cn(CC(=O)N4CC(CF)C4)nn3)c2)C1,AWWOISLEODBLAF-UHFFFAOYSA-N
-rxn:1:61095:34725,CN1CCC[C@@H]1C(=O)Nc1ccc(-c2cn(CC(=O)N3CCC(C(F)F)C3)nn2)nc1,SITUDFBJQJRMBJ-LRHAYUFXSA-N
-rxn:1:61102:1909,CC(C)(C)OC(=O)N1CCC(c2ccc3[nH]nc(-c4cn(CC(=O)N5CCC(CCF)CC5)nn4)c3c2)CC1,YIEOMLNRBGTTHI-UHFFFAOYSA-N
-rxn:1:61102:33335,CC(C(=O)Nc1ccc(-c2cn(CC(=O)N3CCC(CCF)CC3)nn2)nc1)C1CCCCC1,RJLWGUIMLZEJSD-UHFFFAOYSA-N
-rxn:1:61102:33710,CC1(C(=O)Nc2ccc(-c3cn(CC(=O)N4CCC(CCF)CC4)nn3)nc2)CCCCC1,RZVXUQLARGOPRB-UHFFFAOYSA-N
-rxn:1:61102:33957,CC1=CCC(C(=O)Nc2cncc(-c3cn(CC(=O)N4CCC(CCF)CC4)nn3)c2)CC1,ANNUUKBNRLTNRQ-UHFFFAOYSA-N
-rxn:1:61102:34047,CC(=O)N1CCC[C@H]1C(=O)Nc1cncc(-c2cn(CC(=O)N3CCC(CCF)CC3)nn2)c1,UGVSYLFCAQKELT-NRFANRHFSA-N
-rxn:1:61104:35671,CC(C(=O)Nc1ccc(-c2cn(CC(=O)N3CCC(CF)C3)nn2)nc1)N1CCCC1,QKJHEMARIJCBET-UHFFFAOYSA-N
-rxn:1:61106:33976,CCN1CCC(C(=O)Nc2ccc(-c3cn(CC(=O)N4CCCC(CF)C4)nn3)nc2)CC1,AIRBTDZCVDHAAC-UHFFFAOYSA-N
-rxn:1:61108:1909,CC(C)(C)OC(=O)N1CCC(c2ccc3[nH]nc(-c4cn(CC(=O)N5CCC(CF)CC5)nn4)c3c2)CC1,WYONKQRCDCHKOK-UHFFFAOYSA-N
-rxn:1:61108:34087,CC(NC(=O)c1ccc(B2OCCCO2)cc1)c1cn(CC(=O)N2CCC(CF)CC2)nn1,NESVBOCZEUAHFG-UHFFFAOYSA-N
-rxn:1:61108:35711,CC(NC(=O)c1cccc(B2OCC(C)(C)CO2)c1)c1cn(CC(=O)N2CCC(CF)CC2)nn1,ZNEGVODXMJXTMP-UHFFFAOYSA-N
-rxn:1:61109:35671,CC(C(=O)Nc1ccc(-c2cn(CCN3CCC(CF)CC3)nn2)nc1)N1CCCC1,VKTRPWGWIRIHCH-UHFFFAOYSA-N
-rxn:1:61117:29570,CCC12CCC3C4CCC(=O)C=C4CCC3C1C=CC2(OS(=O)(=O)[O-])c1cn(CCN2CCC(F)(F)C2)nn1,DGHRMXCFJWBYTP-UHFFFAOYSA-M
-rxn:1:61296:29914,CCCN1CC(n2cc(C(=O)N3CCC4(CCCN(Cc5ccncc5F)CCn5cc(cn5)C(=O)N(C)C4)CC3)nn2)C1,VPEHWXGGIJLVGR-UHFFFAOYSA-N
-rxn:1:61395:35532,CCN1CCC(C(=O)Nc2ncc(Br)cc2-c2cn(Cc3ccc(C(=O)N4CCCCCC4)o3)nn2)CC1,DGSRDNMCRHREGL-UHFFFAOYSA-N
-rxn:1:61403:35532,CCN1CCC(C(=O)Nc2ncc(Br)cc2-c2cn(Cc3ccc(C(=O)N4CCOCC4)o3)nn2)CC1,JRXXLLQVQUGJHM-UHFFFAOYSA-N
-rxn:1:61415:33338,CCC1(C(=O)Nc2cncc(-c3cn(Cc4ccc(C(=O)N5CCC(F)(F)CC5)o4)nn3)c2)COC1,AOUCISKEJFFQLD-UHFFFAOYSA-N
-rxn:1:61415:33655,CCN1CCC(C(=O)Nc2cncc(-c3cn(Cc4ccc(C(=O)N5CCC(F)(F)CC5)o4)nn3)c2)CC1,VJPROSDTNRXKNM-UHFFFAOYSA-N
-rxn:1:61415:33976,CCN1CCC(C(=O)Nc2ccc(-c3cn(Cc4ccc(C(=O)N5CCC(F)(F)CC5)o4)nn3)nc2)CC1,BLJZKSVGCLJHDN-UHFFFAOYSA-N
-rxn:1:61419:33338,CCC1(C(=O)Nc2cncc(-c3cn(Cc4ccc(C(=O)N5CCCN(C)CC5)o4)nn3)c2)COC1,ILAGRRCVRPIUSI-UHFFFAOYSA-N
-rxn:1:61451:35532,CCN1CCC(C(=O)Nc2ncc(Br)cc2-c2cn(Cc3ccc(C(=O)N4CCCCCC4)s3)nn2)CC1,FDKZXPGPCWYAFU-UHFFFAOYSA-N
-rxn:1:61452:29090,CC1(C)OB(C(F)=C2CCN(c3cc(-c4cn(Cc5ccc(C(=O)N6CCCC6)s5)nn4)ncn3)CC2)OC1(C)C,BKUFKZGRIOVQEI-UHFFFAOYSA-N
-rxn:1:61452:35532,CCN1CCC(C(=O)Nc2ncc(Br)cc2-c2cn(Cc3ccc(C(=O)N4CCCC4)s3)nn2)CC1,OAHSNNQUBMSVTI-UHFFFAOYSA-N
-rxn:1:61453:18112,COC(=O)N1CCc2nn(CCF)c(-c3cn(Cc4ccc(C(=O)N5CCCCC5)s4)nn3)c2C1,NENSJJWSBASHIH-UHFFFAOYSA-N
-rxn:1:61463:9534,O=C(NC1CCCC1)c1ccc(Cn2cc(COC(=O)N3CCC(c4nc5cc(F)ccc5[nH]4)CC3)nn2)s1,RAEYBJVRAOLZDC-UHFFFAOYSA-N
-rxn:1:61470:15470,CN(C)CCn1cc(-c2cn(Cc3ccc(C(=O)N4CCC(F)(F)CC4)s3)nn2)c(C2CCC2)n1,VXLVHNDXHKHPCP-UHFFFAOYSA-N
-rxn:1:61470:16987,CCC(CC)n1ncc(-c2cn(Cc3ccc(C(=O)N4CCC(F)(F)CC4)s3)nn2)c1C1CCCCC1,XAXMGCYDAOYQPD-UHFFFAOYSA-N
-rxn:1:61470:17729,CN(C)CCn1nc(-c2cn(Cc3ccc(C(=O)N4CCC(F)(F)CC4)s3)nn2)cc1C1CCCCC1,RDZZBOPBLWIBDR-UHFFFAOYSA-N
-rxn:1:61470:33338,CCC1(C(=O)Nc2cncc(-c3cn(Cc4ccc(C(=O)N5CCC(F)(F)CC5)s4)nn3)c2)COC1,ZRPIJUWGTVEFDP-UHFFFAOYSA-N
-rxn:1:61470:33655,CCN1CCC(C(=O)Nc2cncc(-c3cn(Cc4ccc(C(=O)N5CCC(F)(F)CC5)s4)nn3)c2)CC1,BVCDBYWWZRUQPW-UHFFFAOYSA-N
-rxn:1:61470:33686,CCC1CCC(C(=O)Nc2cncc(-c3cn(Cc4ccc(C(=O)N5CCC(F)(F)CC5)s4)nn3)c2)CC1,JYZWZZRJOXEUOV-UHFFFAOYSA-N
-rxn:1:61470:33976,CCN1CCC(C(=O)Nc2ccc(-c3cn(Cc4ccc(C(=O)N5CCC(F)(F)CC5)s4)nn3)nc2)CC1,PCDSWTIKIKMKDF-UHFFFAOYSA-N
-rxn:1:61470:35113,CN1CCC(CC(=O)Nc2ccc(-c3cn(Cc4ccc(C(=O)N5CCC(F)(F)CC5)s4)nn3)nc2)CC1,ZUAJFOZWTMOBNH-UHFFFAOYSA-N
-rxn:1:61474:23033,CCN1CCN(Cc2ccc(-c3cn(Cc4ccc(C(=O)N5CCCN(C)CC5)s4)nn3)cc2)CC1,WKOWCOCLELJTND-UHFFFAOYSA-N
-rxn:1:61474:33338,CCC1(C(=O)Nc2cncc(-c3cn(Cc4ccc(C(=O)N5CCCN(C)CC5)s4)nn3)c2)COC1,QNQCAWMRVQPYGP-UHFFFAOYSA-N
-rxn:1:61476:33319,Cc1ccc(C(=O)N2CC(N3CC(N(C)C)C3)C2)cc1-c1cn(Cc2ccc(C(=O)N3CCC3)s2)nn1,KLMZNRITIKBCDL-UHFFFAOYSA-N
-rxn:1:61488:13450,O=C(OC1CCN(c2ncc(Br)cn2)CC1)c1ccc(-c2cn(Cc3ccc(C(=O)NC4CCCCCC4)s3)nn2)cc1,YTBNCKLSMQGHKJ-UHFFFAOYSA-N
-rxn:1:61488:9534,O=C(NC1CCCCCC1)c1ccc(Cn2cc(COC(=O)N3CCC(c4nc5cc(F)ccc5[nH]4)CC3)nn2)s1,TYVIOKDYEQYDAR-UHFFFAOYSA-N
-rxn:1:61520:30264,CC(=O)N1CCCNC(=O)[C@H]2C[C@H](CCN2C(=O)c2cn(CC3(F)CCOCC3)nn2)c2cc(C3CC3)ccc2OCC1,ALUGMUUECDTVJP-RPLLCQBOSA-N
-rxn:1:61748:29914,CC(c1nc2ccccc2c(=O)[nH]1)n1cc(C(=O)N2CCC3(CCCN(Cc4ccncc4F)CCn4cc(cn4)C(=O)N(C)C3)CC2)nn1,ALQQCKQVWZZBSG-UHFFFAOYSA-N
-rxn:1:61876:30435,Cc1cccc(C(=O)N2CCCC3(CCN(C(=O)c4cn(CC5OCCNCC5(F)F)nn4)CC3)CN(C)C(=O)c3cnn(c3)CC2)n1,BYYDYYXEMOJJNA-UHFFFAOYSA-N
-rxn:1:61876:33976,CCN1CCC(C(=O)Nc2ccc(-c3cn(CC4OCCNCC4(F)F)nn3)nc2)CC1,GOUUDOWPCSLDFH-UHFFFAOYSA-N
-rxn:1:61962:4411,CCOC(=O)c1sc2cccc(Cn3cc(CCN4CCCC4C(=O)N4CCNCC4)nn3)c2c1Cl,KQVJKWRHHKTPBY-UHFFFAOYSA-N
-rxn:1:61995:9888,CC(O)(c1cn(C2C3CC4CC(C3)CC2C4)nn1)C1CC2C=CC1C2,WFCISUZORMPENG-UHFFFAOYSA-N
-rxn:1:62017:21993,CCC(c1ccc(F)c(F)c1)n1nc(C2CCCC2)cc1-c1cn(-c2ccc(C(=O)N3CCC(C#N)CC3)cc2)nn1,GHEOBJDDGVASSR-UHFFFAOYSA-N
-rxn:1:62017:9534,N#CC1CCN(C(=O)c2ccc(-n3cc(COC(=O)N4CCC(c5nc6cc(F)ccc6[nH]5)CC4)nn3)cc2)CC1,QCZZCRITSSFRBM-UHFFFAOYSA-N
-rxn:1:62052:1014,N=c1c2nc(-n3cc(COC(=O)Nc4cccc(Br)c4)nn3)n3c2ncn1C1OC(COP(=O)(O)OP(=O)(O)OCC2OC3C(O)C2O)C(O)C1O,STLXZMGJDRGXNF-UHFFFAOYSA-N
-rxn:1:62052:1127,N=c1c2nc(-n3cc(COc4c(F)cccc4C(=O)O)nn3)n3c2ncn1C1OC(COP(=O)(O)OP(=O)(O)OCC2OC3C(O)C2O)C(O)C1O,KMWVICWOBILEFC-UHFFFAOYSA-N
-rxn:1:62052:12382,N=c1c2nc(-n3cc(-c4ccc(NC(=O)c5cccnc5)cc4)nn3)n3c2ncn1C1OC(COP(=O)(O)OP(=O)(O)OCC2OC3C(O)C2O)C(O)C1O,WWYDIKYNVKUPSH-UHFFFAOYSA-N
-rxn:1:62052:13047,N=c1c2nc(-n3cc(-c4ccc(C(=O)NC5CCS(=O)(=O)CC5)cc4)nn3)n3c2ncn1C1OC(COP(=O)(O)OP(=O)(O)OCC2OC3C(O)C2O)C(O)C1O,DDPGUWIMVYMTCC-UHFFFAOYSA-N
-rxn:1:62052:13211,N=c1c2nc(-n3cc(-c4ccc(NC(=O)C5CCS(=O)(=O)CC5)cc4)nn3)n3c2ncn1C1OC(COP(=O)(O)OP(=O)(O)OCC2OC3C(O)C2O)C(O)C1O,UNVJABFKOQOCOZ-UHFFFAOYSA-N
-rxn:1:62052:1414,N=c1c2nc(-n3cc(COc4ncncc4C(=O)O)nn3)n3c2ncn1C1OC(COP(=O)(O)OP(=O)(O)OCC2OC3C(O)C2O)C(O)C1O,NSHCOJNFQCJPTD-UHFFFAOYSA-N
-rxn:1:62052:15035,N=c1c2nc(-n3cc(COc4ccccc4-n4[nH]c(=O)cc4I)nn3)n3c2ncn1C1OC(COP(=O)(O)OP(=O)(O)OCC2OC3C(O)C2O)C(O)C1O,RCDKFSOUTNVJAO-UHFFFAOYSA-N
-rxn:1:62052:27619,N=c1c2nc(-n3cc(CN4CC(CS(=O)(=O)F)CC4=O)nn3)n3c2ncn1C1OC(COP(=O)(O)OP(=O)(O)OCC2OC3C(O)C2O)C(O)C1O,YKKKOAURNHLNBB-UHFFFAOYSA-N
-rxn:1:62052:28424,COC(=O)c1cc(OC)c(OC)cc1-c1cn(-c2nc3c(=N)n4cnc3n2C2OC(COP(=O)(O)OP(=O)(O)OCC3OC4C(O)C3O)C(O)C2O)nn1,GBULENFHUHEDNE-UHFFFAOYSA-N
-rxn:1:62052:3208,COC(=O)C1CC(O)(c2cn(-c3nc4c(=N)n5cnc4n3C3OC(COP(=O)(O)OP(=O)(O)OCC4OC5C(O)C4O)C(O)C3O)nn2)C1,UXTFMWKGLBLJDL-UHFFFAOYSA-N
-rxn:1:62052:3263,N=c1c2nc(-n3cc(CC(=O)ON4C(=O)c5ccccc5C4=O)nn3)n3c2ncn1C1OC(COP(=O)(O)OP(=O)(O)OCC2OC3C(O)C2O)C(O)C1O,BOOBHGNSLZVUFT-UHFFFAOYSA-N
-rxn:1:62052:36649,CON(C)C(=O)c1ccc(-c2ccccc2-c2cn(-c3nc4c(=N)n5cnc4n3C3OC(COP(=O)(O)OP(=O)(O)OCC4OC5C(O)C4O)C(O)C3O)nn2)cc1,DAAJPRHTIRZBQF-UHFFFAOYSA-N
-rxn:1:62052:3761,COC(=O)C1CCC1c1cn(-c2nc3c(=N)n4cnc3n2C2OC(COP(=O)(O)OP(=O)(O)OCC3OC4C(O)C3O)C(O)C2O)nn1,FESPYMSREYTBNY-UHFFFAOYSA-N
-rxn:1:62052:38497,CC(=O)c1cccc(OCc2cn(-c3nc4c(=N)n5cnc4n3C3OC(COP(=O)(O)OP(=O)(O)OCC4OC5C(O)C4O)C(O)C3O)nn2)c1,PUZPYYDCCPEUIM-UHFFFAOYSA-N
-rxn:1:62052:39316,COC(=O)C1CC1c1cn(-c2nc3c(=N)n4cnc3n2C2OC(COP(=O)(O)OP(=O)(O)OCC3OC4C(O)C3O)C(O)C2O)nn1,LGEHWIHPWWZEDX-UHFFFAOYSA-N
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-rxn:1:62052:6276,N=c1c2nc(-n3cc([C@H]4CS(=O)(=O)C[C@H]4O)nn3)n3c2ncn1C1OC(COP(=O)(O)OP(=O)(O)OCC2OC3C(O)C2O)C(O)C1O,YJMREEJUYJNOIA-BMUIZXBGSA-N
-rxn:1:62052:9315,N=c1c2nc(-n3cc(CN4C(=O)c5ccccc5S4(=O)=O)nn3)n3c2ncn1C1OC(COP(=O)(O)OP(=O)(O)OCC2OC3C(O)C2O)C(O)C1O,NEYOFDWYPNULMX-UHFFFAOYSA-N
-rxn:1:62271:11776,CN(C)C(=O)N1CCC(c2cn(-c3nc4c5ncnc4n3C3OC(COP(=O)(OP(=O)(O)O)OCC4OC(N5)C(O)C4O)C(O)C3O)nn2)C1,LPSINFOTFWLCNU-UHFFFAOYSA-N
-rxn:1:62271:12703,CN(C(=O)c1ccc(-c2cn(-c3nc4c5ncnc4n3C3OC(COP(=O)(OP(=O)(O)O)OCC4OC(N5)C(O)C4O)C(O)C3O)nn2)cc1)c1ccncc1,SWDAEKQSVRRGFC-UHFFFAOYSA-N
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-rxn:1:62271:15116,O=c1cc(-c2cn(-c3nc4c5ncnc4n3C3OC(COP(=O)(OP(=O)(O)O)OCC4OC(N5)C(O)C4O)C(O)C3O)nn2)n(-c2ccc(F)cc2Br)[nH]1,RUGGDZVFKCTNHH-UHFFFAOYSA-N
-rxn:1:62271:15286,O=c1cc(-c2cn(-c3nc4c5ncnc4n3C3OC(COP(=O)(OP(=O)(O)O)OCC4OC(N5)C(O)C4O)C(O)C3O)nn2)n(-c2cc(C(F)(F)F)ccn2)[nH]1,IISINVACCOMBKI-UHFFFAOYSA-N
-rxn:1:62271:15297,O=c1cc(-c2cn(-c3nc4c5ncnc4n3C3OC(COP(=O)(OP(=O)(O)O)OCC4OC(N5)C(O)C4O)C(O)C3O)nn2)n(-c2cccc(C(F)(F)F)n2)[nH]1,JWENPYLHHIUOKV-UHFFFAOYSA-N
-rxn:1:62271:15304,O=c1cc(-c2cn(-c3nc4c5ncnc4n3C3OC(COP(=O)(OP(=O)(O)O)OCC4OC(N5)C(O)C4O)C(O)C3O)nn2)n(-c2ccc(C(F)(F)F)cn2)[nH]1,FVNMIQZBRWPRRL-UHFFFAOYSA-N
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-rxn:1:62271:16837,CS(=O)(=O)c1ccc(-n2ncc(-c3cn(-c4nc5c6ncnc5n4C4OC(COP(=O)(OP(=O)(O)O)OCC5OC(N6)C(O)C5O)C(O)C4O)nn3)c2C2CC2)cc1,AWWJISOPVGRQHX-UHFFFAOYSA-N
-rxn:1:62271:18490,Cc1cn(-c2ccc(S(C)=O)cc2)nc1-c1cn(-c2nc3c4ncnc3n2C2OC(COP(=O)(OP(=O)(O)O)OCC3OC(N4)C(O)C3O)C(O)C2O)nn1,BBHKRKDWRAHJTB-UHFFFAOYSA-N
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-rxn:1:62271:32350,O=C1c2cc(Cl)c(Cl)cc2C(=O)N1c1cccc(-c2cn(-c3nc4c5ncnc4n3C3OC(COP(=O)(OP(=O)(O)O)OCC4OC(N5)C(O)C4O)C(O)C3O)nn2)c1,KQDUJUKHJZQADW-UHFFFAOYSA-N
-rxn:1:62271:32700,CC(=O)c1cc(F)ccc1-c1cn(-c2nc3c4ncnc3n2C2OC(COP(=O)(OP(=O)(O)O)OCC3OC(N4)C(O)C3O)C(O)C2O)nn1,COWBHGNEXGVMBV-UHFFFAOYSA-N
-rxn:1:62271:32713,CC(=O)c1cc(Cl)ccc1-c1cn(-c2nc3c4ncnc3n2C2OC(COP(=O)(OP(=O)(O)O)OCC3OC(N4)C(O)C3O)C(O)C2O)nn1,XTRQDPZIXSRZDF-UHFFFAOYSA-N
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-rxn:1:62271:36254,CN(C)c1ccccc1-c1cc(F)cc(-c2cn(-c3nc4c5ncnc4n3C3OC(COP(=O)(OP(=O)(O)O)OCC4OC(N5)C(O)C4O)C(O)C3O)nn2)c1,DWSLIENPSAVQNM-UHFFFAOYSA-N
-rxn:1:62271:37268,CC(=O)c1c(F)cccc1-c1ccc(-c2cn(-c3nc4c5ncnc4n3C3OC(COP(=O)(OP(=O)(O)O)OCC4OC(N5)C(O)C4O)C(O)C3O)nn2)cc1,YDBNROILGPSXCJ-UHFFFAOYSA-N
-rxn:1:62271:37306,CC(=O)c1c(F)cccc1-c1cccc(-c2cn(-c3nc4c5ncnc4n3C3OC(COP(=O)(OP(=O)(O)O)OCC4OC(N5)C(O)C4O)C(O)C3O)nn2)c1,POARISVZYNTYHU-UHFFFAOYSA-N
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-rxn:1:62271:39512,O=C(c1cccc(C(F)(F)F)c1)c1cn(-c2nc3c4ncnc3n2C2OC(COP(=O)(OP(=O)(O)O)OCC3OC(N4)C(O)C3O)C(O)C2O)nn1,GLHHAIZCDUKLCE-UHFFFAOYSA-N
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-rxn:1:62271:5434,O=C(O)c1cc(Br)cc(-c2cn(-c3nc4c5ncnc4n3C3OC(COP(=O)(OP(=O)(O)O)OCC4OC(N5)C(O)C4O)C(O)C3O)nn2)c1,CSPXWBDQTJADNK-UHFFFAOYSA-N
-rxn:1:62271:708,CC(c1cn(-c2nc3c4ncnc3n2C2OC(COP(=O)(OP(=O)(O)O)OCC3OC(N4)C(O)C3O)C(O)C2O)nn1)N(C(=O)CCl)c1ccccc1,PEIZKASGWNOVHT-UHFFFAOYSA-N
-rxn:1:62271:7164,O=c1cc(C(F)(F)F)ccn1Cc1cn(-c2nc3c4ncnc3n2C2OC(COP(=O)(OP(=O)(O)O)OCC3OC(N4)C(O)C3O)C(O)C2O)nn1,IMXVLIVEGOAFNC-UHFFFAOYSA-N
-rxn:1:62271:9738,O=C(c1ccccc1)c1cn(-c2nc3c4ncnc3n2C2OC(COP(=O)(OP(=O)(O)O)OCC3OC(N4)C(O)C3O)C(O)C2O)nn1,WEFIOCIFLYZFQS-UHFFFAOYSA-N
-rxn:1:62297:28104,O=c1ccn(C2CC(n3cc(-c4ccc(C(O)C(O)CCBr)cc4)nn3)C(COP(=O)(O)O)O2)c(=O)[nH]1,KEIGOLDSKZJENT-UHFFFAOYSA-N
-rxn:1:62651:28127,C=CC(=O)N(C)c1ccc(-c2cn(CC3CC(=O)N([C@H](CO)C(C)(C)C)C3)nn2)cc1,CLVSIUGJKMCEPH-OTOKDRCRSA-N
-rxn:1:63181:8523,COC(=O)c1ccnc(N2CC(Cn3cc(CSc4nc5c(c(=O)n4-c4cccc(Cl)c4C)CCCC5)nn3)CC2=O)c1,QAPLCXSGUBRKKK-UHFFFAOYSA-N
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-rxn:1:757:43713,CN(Cc1cn(CC#Cc2c[nH]c3ncc(Br)cc23)nn1)C(=O)CC1CC(C)(C)NC(C)(C)C1,HPMLSWOSOWGVRS-UHFFFAOYSA-N
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-rxn:3:11519:59852:140472,C=C(C)C[N+](C)(C)Cc1cn([C@@H]2C=CC[C@@H](C(=O)N3CCOC(C(=O)NC4CCC(CS(=O)(=O)F)CC4)C3)C2)nn1,FCBWVJUOTQUJFS-IILHSBQQSA-O
-rxn:3:11788:62824:134203,C[Si]1(C)CCC(NC(=O)[C@@H](C2=CCC=CC2)N2CC(Cn3cc(-c4cnc(C5(F)CCC5)s4)nn3)CC2=O)C1,RHESEUVPPDKZOB-BPOAOHNVSA-N
-rxn:3:12138:62824:104682,COCC1(NC(=O)[C@@H](C2=CCC=CC2)N2CC(Cn3cc(C(F)(F)c4cccnc4)nn3)CC2=O)COC1,KTWQLPOIFAIYLX-WBPHRXDCSA-N
-rxn:3:1754:62782:100710,CC(NC(=O)C(C1CCCC1)N1CC(Cn2cc(CSc3ccc(F)c(F)c3)nn2)CC1=O)C1CSC1,PXPUDEQVFJCQBA-UHFFFAOYSA-N
-rxn:3:1754:62824:93942,CC(NC(=O)[C@@H](C1=CCC=CC1)N1CC(Cn2cc(CSc3ccc(F)c(F)c3)nn2)CC1=O)C1CCC1,KJFCTUWVBLRLCA-AVEQNKPZSA-N
-rxn:3:20537:54804:104288,CC(C1CCCC1)n1nc(C2CC2)cc1-c1cn(CCC2C(c3ccc4[nH]nc(C(=O)Nc5cccccc5=O)c4c3)C2(F)F)nn1,TYFWQXWFDHIIOM-UHFFFAOYSA-N
-rxn:3:20851:51281:134358,CCC(C)n1nc(C2CCC2)cc1-c1cn(CC2C(c3ccc(C4(C(=O)NC(C)=[Se])CC4)cc3)C2(F)F)nn1,MLWXGQQTEUWWSD-UHFFFAOYSA-N
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-rxn:3:23188:65592:83833,Cc1ccc(ONC(=O)Cc2nnc(N3CC(Cn4cc(CC5(C#N)CC(F)(F)C5)nn4)CC3=O)[nH]2)cc1,FSAMDEAOOVOIBS-UHFFFAOYSA-N
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-rxn:3:8620:59842:128822,CN(C)C1(c2cn([C@H]3C=CC[C@H](C(=O)NCCOC4CCS(=O)(=O)C4)C3)nn2)CCC(F)(F)CC1,DBDYEFUKRAODPO-ADUPEVMXSA-N
-rxn:2:100135:149807,CC(C)C(NC(C)(C)CCN(C)C1CCN(C)CC1)c1ccc(-c2nc3nc[nH]c3c(=O)[nH]2)cc1,QNTPOKDAFLWHAQ-UHFFFAOYSA-N
-rxn:2:100260:113527,CCC(NCc1ccnc(N2CCC(N(C)C)CC2)n1)C(c1ccc2c(c1)OCCO2)C(C)C,YDPXNHYOHJWERX-UHFFFAOYSA-N
-rxn:2:100417:139138,C[C@H](NC1CC2CCC1(CS(=O)(=O)[O-])C2(C)C)C12CC3CC(CC(C3)C1)C2,KYBSHYVCXSTJOZ-KFOSKAPUSA-M
-rxn:2:101165:164411,CCC[C@H]1CC[C@H](c2ccc(C(C)NC3CC(C(c4ccc5[nH]cnc5c4)N(C)C)C3)cc2)CC1,QBVUJDAQRUPLOZ-IETSDWMVSA-N
-rxn:2:101539:139138,CC(C)C1CC(NC2CC3CCC2(CS(=O)(=O)[O-])C3(C)C)CCS1,ZLMAQNVKYMQNLJ-UHFFFAOYSA-M
-rxn:2:101829:139138,CN1CCC(Oc2cccc(CNC3CC4CCC3(CS(=O)(=O)[O-])C4(C)C)c2)CC1,QTKRNAOFZHVYNR-UHFFFAOYSA-M
-rxn:2:102125:103666,CC(C)CSC(=N)C(F)(F)c1cncc(C(C)NCCn2nc3c(cc2=O)CN(C)CC3)c1,GRRLDABIBVVLDB-UHFFFAOYSA-N
-rxn:2:102544:144270,CC(=O)c1cccc(C2C(CSC(C)Nc3n[nH]cc3N(C)CC(C)(C)C)C2(F)F)n1,GFODEMUVGKINLD-UHFFFAOYSA-N
-rxn:2:102560:105477,CC(Cc1ncn2c1CC(N(C)C)CC2)NC(c1cccc(CN2CCSCC2)c1)C1CC1,UKOLDKZILQDTAE-UHFFFAOYSA-N
-rxn:2:103638:128132,CC1CCC(Nc2cncc(OS(=O)(=O)F)c2)C(CN(C)C(C)C2CC2)C1,LJXSDHYKQHJGNU-UHFFFAOYSA-N
-rxn:2:104086:164055,COCCn1cc(-c2ncc(C(C)NCC3(C)CC(N(C)C)CC(C)(C)C3)s2)ccc1=O,FASGAIMWAJTZFP-UHFFFAOYSA-N
-rxn:2:104835:159310,CCOCC1(CNC(c2ccc(-c3cnn(C4CCOCC4)c3)cc2)C2CC2)CC2(CC2)C1,XVWMVACVUIIRCQ-UHFFFAOYSA-N
-rxn:2:104835:165158,CCOCC1(CNC2CCc3ccc(-c4ccn(C5CCCCO5)n4)cc32)CC2(CC2)C1,VEWJQBAFARLLLE-UHFFFAOYSA-N
-rxn:2:104835:171651,CCOCC1(CNC2CCC(n3cc(-c4cccc5c4CCCC5)cn3)CC2)CC2(CC2)C1,HCCWKLMMJYOVNB-UHFFFAOYSA-N
-rxn:2:104835:172835,CCOCC1(CNC2CCCc3ccc(-c4ccnn4C4CCCC4)cc32)CC2(CC2)C1,NFJBGFOVRBFODM-UHFFFAOYSA-N
-rxn:2:104835:75038,CCOCC1(CNC(c2cccnc2)C2CCN(C)CC2)CC2(CC2)C1,SQNUEEBCQXWDON-UHFFFAOYSA-N
-rxn:2:104864:143818,CC(CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)NCC(c1ccco1)N(C)C1CCCN(C)C1,VEFSRPCFZNDULR-UHFFFAOYSA-N
-rxn:2:105143:82094,CCCn1nc2c(c1CNC(c1cccc(CN3CCN(C)CC3)c1)C1CC1)CN(C)CC2,SQTHHWYQPSFWNI-UHFFFAOYSA-N
-rxn:2:105408:130760,CC(CCCN1CCCCCC1)NCC1(C(c2ccc[nH]2)N(C)C)CC1,SCOKVWRPYMPZAS-UHFFFAOYSA-N
-rxn:2:105420:114270,CCC(Nc1ncccc1OCCC(C)C)C1CCN(CC(C)C)CC1,QXUSXEKIZFWENN-UHFFFAOYSA-N
-rxn:2:105427:138759,CCN1CCC(COc2ncc(NC(c3ccc4c(c3)OCO4)C(C)N(C)CC)cn2)CC1,KQBDTARVHYSMAB-UHFFFAOYSA-N
-rxn:2:105477:120275,CC(Cc1ncn2c1CC(N(C)C)CC2)NC(c1ccc(CN2CCSCC2)cc1)C1CC1,SDLQNSJEEAMHPV-UHFFFAOYSA-N
-rxn:2:105477:87172,CC(Cc1ncn2c1CC(N(C)C)CC2)NC(CN(C)C1CCN(C)CC1)c1cccn1C,RZHFYNWKOLKZCN-UHFFFAOYSA-N
-rxn:2:105485:130197,CCC(NCc1ccc(N2CCC(N(C)C)CC2)cc1)c1ccc(N2CCN(C)CC2)nc1C,KDWPQIMDQVXEEO-UHFFFAOYSA-N
-rxn:2:105755:126170,CCCC(C(Nc1cc(C)cnc1OCC1CC1)c1ccc2c(c1)CCC2)N1CCCC1,VQLJBPTVIBTKAT-UHFFFAOYSA-N
-rxn:2:105755:171582,CCCC(C(Nc1cc(C)cnc1OCC1CC1)c1ccc2c(c1)CCCC2)N1CCCC1,VYQGZFDNBXYGCJ-UHFFFAOYSA-N
-rxn:2:105800:155396,CC(=O)c1ccc(C2C(CSC(C)Nc3cc(=O)[nH]n3C(C)C3CCCOC3)C2(F)F)nc1,NYXKRCHMAAEDGN-UHFFFAOYSA-N
-rxn:2:105929:169615,CCCCSC(=N)C(F)(F)c1ccc2c(c1)C(Nc1cnn(C(C)C)c(=O)c1OC)CC2,JXGNIWXAOPPBTO-UHFFFAOYSA-N
-rxn:2:106445:144782,CCN1CCC(CNC(C)c2sc(-c3ccnc(OC4CC4)c3)nc2C)(N(C)C)CC1,DYSDWSMVQNMODS-UHFFFAOYSA-N
-rxn:2:106941:152050,CCCC1(c2nc(=O)nc(NC(C)SCCC#Cc3ccc(C(=O)C(C)C)cc3)[nH]2)CC1,YNQNUNGOQJNYSK-UHFFFAOYSA-N
-rxn:2:107523:150630,CCC1(CC)OC(CC)(CC)C1NC(C)c1cc(-c2cc(OC)ccc2OC)n[nH]c1=O,JDIRAYRSJMPHSF-UHFFFAOYSA-N
-rxn:2:107980:151596,CC(CCCCn1c(=O)c2ncn(C)c2n(C)c1=O)Nc1c(C2CCC2)cnn1C(C)C1CC1(F)F,IKRLPYUZMYLSFY-UHFFFAOYSA-N
-rxn:2:108479:143784,CCC(NCc1nccc(N2CCC(N(C)C)CC2)n1)c1ccc2oc(=O)c(=O)n(OCC(C)C)c2c1,VKAMUSPRPCPWDQ-UHFFFAOYSA-N
-rxn:2:108479:155396,CC(=O)c1ccc(C2C(CSC(C)NCc3nccc(N4CCC(N(C)C)CC4)n3)C2(F)F)nc1,CGDDORJXDCESNR-UHFFFAOYSA-N
-rxn:2:108558:139891,CC(=O)c1cncc(CCCSC(C)NCCN2CC(C)C[Si]2(C)C)c1,FUYSVWQUPPJXTC-UHFFFAOYSA-N
-rxn:2:108624:130197,CCC(Nc1c2c(nn1CCN(C)C)CCC2C)c1ccc(N2CCN(C)CC2)nc1C,MWOWIYQBMOJTDL-UHFFFAOYSA-N
-rxn:2:108912:103666,CC(C)CSC(=N)C(F)(F)c1cncc(C(C)NCC(C)(C)N(C)c2n[nH]c(=O)[nH]c2=O)c1,KZGVZDSPKGCIIY-UHFFFAOYSA-N
-rxn:2:109365:126600,Cc1ccc(C(C)NCC#CC23CCCN2CCC3)c(OS(=O)(=O)F)c1,NYRQOWRQTHCZLJ-UHFFFAOYSA-N
-rxn:2:110003:126170,CCCC(C(Nc1ccc(N2CCC(N(C)C)CC2)nc1)c1ccc2c(c1)CCC2)N1CCCC1,KAPPFMXGGPROEK-UHFFFAOYSA-N
-rxn:2:110440:153993,CS(=O)(=O)n1cc(-c2cccc3c2CCCC3NCCS(=O)(=O)C2CCOCC2)cn1,NOSAENMBZSIHSC-UHFFFAOYSA-N
-rxn:2:110489:143784,CCC(Nc1cncnc1OC1CCCC(N(C)C)C1)c1ccc2oc(=O)c(=O)n(OCC(C)C)c2c1,HZAQJVFLEVHFEO-UHFFFAOYSA-N
-rxn:2:110557:171582,CCCC(C(N[C@H]1C[C@@H](Oc2ccccn2)C1)c1ccc2c(c1)CCCC2)N1CCCC1,RYKSGWDJAJEMKL-QNBWZUNJSA-N
-rxn:2:110753:113527,CCC(NCc1ccnc(N2CCC(N(C)C)CC2)n1)C1CCN(c2ccc3c(c2)OCO3)C1,PXHRIYDXFSETME-UHFFFAOYSA-N
-rxn:2:111378:168553,Cc1nc2nc(N3CCCCC3)[nH]c(=O)c2cc1C(C)NCC(F)(F)CN(C)C(C)C,OOEDYNUEGFMPCY-UHFFFAOYSA-N
-rxn:2:111451:126170,CCCC(C(Nc1cnc(OCC2CCC2)nc1)c1ccc2c(c1)CCC2)N1CCCC1,RTPKOWOTKVFLPO-UHFFFAOYSA-N
-rxn:2:111538:159711,CC(N[C@H]1CC[C@H](OS(C)(=O)=O)CC1)c1ccc(-c2ccnc(N3CCOCC3)c2)cn1,VTSYNRCMFONRFH-XYGNKKJESA-N
-rxn:2:111610:143605,CC(NC1(COS(=O)(=O)[O-])CCCC1)c1ccc(S(=O)(=O)C2CCCCC2)s1,UKZXQTLYVNBNJU-UHFFFAOYSA-M
-rxn:2:112194:116804,CCC[C@H]1CC[C@H](C2CCC(Nc3ccc(C4(COC)CC4)cc3)CC2)CC1,AKGUIDVRHZHOJA-HJJGQMIRSA-N
-rxn:2:112215:140982,CCC(C(Nc1cnc(OCC2CCCCN2C2CC2)nc1)c1ccc2c(c1)CCC2)N1CCCC1,GRVISQNVEZSDTQ-UHFFFAOYSA-N
-rxn:2:113048:143151,CC(NCC1CCOC12CCS(=O)(=O)CC2)c1sccc1-c1ccc(S(C)(=O)=O)cc1,VEQSVIYVNNBTEH-UHFFFAOYSA-N
-rxn:2:113048:152807,COS(=O)(=O)c1ccc(-c2ccsc2C(C)NCC2CCOC23CCS(=O)(=O)CC3)cc1,FGLPXMULDIYZIH-UHFFFAOYSA-N
-rxn:2:113699:146392,Cc1cc(SCC(NCC2CN(C)CC(C)(C)CN2C(C)C)c2cccs2)nc(=O)[nH]1,BYWOJAMSKRJZRU-UHFFFAOYSA-N
-rxn:2:114047:126600,Cc1ccc(C(C)NCC2CCN(Cc3cc(C4CC4)n[nH]3)CC2)c(OS(=O)(=O)F)c1,PFIUNKPTZCFFMK-UHFFFAOYSA-N
-rxn:2:114498:156451,CCC(CN1CCC(N(C)C)CC1)NC(c1cccc2[nH]c(C(C)C)nc12)C1CC1,XTXNKZSOGHWMFZ-UHFFFAOYSA-N
-rxn:2:114660:119356,CC(Nc1nn(CCCN(C)C)c2c1C1CC1C2)c1cnccc1OCC1(C)CCC1,VAYNTEGYRLDTGJ-UHFFFAOYSA-N
-rxn:2:114717:82250,CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)F)C(NC1C(=O)SC13CCC3)C2,SHSRRSWEEAALPU-QZLRTXKQSA-N
-rxn:2:114906:155396,CC(=O)c1ccc(C2C(CSC(C)NC(C)(C)c3nc(C4CC4)nn3C)C2(F)F)nc1,AXOZOAZXPZTISO-UHFFFAOYSA-N
-rxn:2:115718:139138,CC1(C)C2CCC1(CS(=O)(=O)[O-])C(NC1CN3CCC1(F)CC3)C2,LJSIBFOAYRLXEZ-UHFFFAOYSA-M
-rxn:2:115723:125295,CC(C)(C)[Si](C)(C)O[C@H]1[C@H]2C[C@H]2C[C@@H]1NC1CC(CS(=O)(=O)F)C1,ZGRXTPCAFPVIQD-IFQCYBEWSA-N
-rxn:2:115998:152761,CC(=O)c1cccc(C2C(CCSC(C)Nn3c(=O)[nH]nc(C(C)(C)C)c3=O)C2(F)F)n1,KRFWWCBDCGRBIV-UHFFFAOYSA-N
-rxn:2:116166:139138,CC1(C)C2CCC1(CS(=O)(=O)[O-])C(NC(C1CCCC1)C1C3CC4CC(C3)CC1C4)C2,JVUNGTLDMQJTFB-UHFFFAOYSA-M
-rxn:2:116497:136954,CCC(C)(CNC(c1ccc(C2CCCC2)cc1)C1CC1)OC1CCC1,AATDZMMZKPWJBB-UHFFFAOYSA-N
-rxn:2:116823:87172,CC(C)C(CSc1nccn1C)NC(CN(C)C1CCN(C)CC1)c1cccn1C,YXOIRXYDMFSEON-UHFFFAOYSA-N
-rxn:2:116990:142605,CCC(NC(c1c[nH]c2ncnn2c1=O)C(C)C)C(C)N(C)C1CCCN(C)C1,UWBOQXULIHYPLF-UHFFFAOYSA-N
-rxn:2:116990:144909,CCC(NC(C)c1c(-c2ccc(C)cc2C)cn[nH]c1=O)C(C)N(C)C1CCCN(C)C1,JMWKSGOVMHWAMK-UHFFFAOYSA-N
-rxn:2:116990:146392,CCC(NC(CSc1cc(C)[nH]c(=O)n1)c1cccs1)C(C)N(C)C1CCCN(C)C1,XHVWFYITBOMXSJ-UHFFFAOYSA-N
-rxn:2:116990:163787,CCC(NC(C)c1ncc(-c2ccc3[nH]ncc3c2C)cc1OC)C(C)N(C)C1CCCN(C)C1,UPTODYPOPQCGJT-UHFFFAOYSA-N
-rxn:2:117320:143818,CC(C)CCn1cnnc1C1CCC(NC(C)CC(c2ccc3[nH]c(=O)[nH]c3c2)N(C)C)CC1,PCQRNLXLFMRLQJ-UHFFFAOYSA-N
-rxn:2:117421:126600,Cc1ccc(C(C)NCCN2CCCC(CN(C)C)C2)c(OS(=O)(=O)F)c1,XWNYSLNVVQGFGG-UHFFFAOYSA-N
-rxn:2:117534:139138,CC1(COc2cnccc2CNC2CC3CCC2(CS(=O)(=O)[O-])C3(C)C)COC1,JJGTZYKQIKWGOP-UHFFFAOYSA-M
-rxn:2:117768:146604,CC(NC(C)C(c1ccncc1)N(C)C(C)C)c1cc2c(n(C3CC3)c1=O)CCN(C)C2,QUVJLZLDNXWZSK-UHFFFAOYSA-N
-rxn:2:118348:168769,CC(CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)Nc1cn(CC2CC2(F)F)nc1C1CCC1,GUFGLKKBPNPGQM-UHFFFAOYSA-N
-rxn:2:118922:160705,CCOc1ncccc1-c1ccc2[nH]cc(C(C)NC(CC)C(C)N(C)C3CCCCCC3)c2c1,CZVQNMJLVWGUKZ-UHFFFAOYSA-N
-rxn:2:118922:161441,CCC(NC(C)c1cc(-c2ccc3[nH]c(=O)[nH]c3c2)n(C)c1C)C(C)N(C)C1CCCCCC1,CHSHSMQKXMRIHM-UHFFFAOYSA-N
-rxn:2:119076:139138,CC1CCC(C(NC2CC3CCC2(CS(=O)(=O)[O-])C3(C)C)c2ccsc2)CC1,DOQSLAFBTXWOMQ-UHFFFAOYSA-M
-rxn:2:119584:143818,CC(CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)NCC#Cc1cccc(CN2CCN(C)CC2)c1,UDUDZIWNRIFRTL-UHFFFAOYSA-N
-rxn:2:120288:139138,Cc1cc(CNC2CC3CCC2(CS(=O)(=O)[O-])C3(C)C)ccc1SC1CCOCC1,BPODJRCCFHDBKN-UHFFFAOYSA-M
-rxn:2:120322:134589,O=S(=O)(F)CC1(CNC2CC3CCCC(C2)S3(=O)=O)CC1,KVZRLULXHJCUGI-UHFFFAOYSA-N
-rxn:2:120625:134589,CS(=O)(=O)C1(c2ccc(CNC3CC4CCCC(C3)S4(=O)=O)cc2)CC1,CTBPUOKRMIZVMQ-UHFFFAOYSA-N
-rxn:2:121242:139138,CC1(C)C2CCC1(CS(=O)(=O)[O-])C(NC(C1CC1)C13CC4CC(CC(C4)C1)C3)C2,BVQUYVPIADHTRL-UHFFFAOYSA-M
-rxn:2:121242:84015,CC1(C)C2CC[C@]1(CS(=O)(=O)[O-])C(NC(C1CC1)C13CC4CC(CC(C4)C1)C3)C2,BVQUYVPIADHTRL-HXASYWBGSA-M
-rxn:2:121305:168561,Cc1cccc(C(N(C)C)C2(CNC(C#CN3CCCCC3)c3ccc4[nH]c(=O)[nH]c4c3)COC2)c1,JFGYCPXURVXWAQ-UHFFFAOYSA-N
-rxn:2:122399:126170,CCCC(C(Nc1ccc(C)cc1OCC1CCCCC1)c1ccc2c(c1)CCC2)N1CCCC1,PJPMAZGOMXZDIW-UHFFFAOYSA-N
-rxn:2:122881:147764,CC(NCC(c1ccc2[nH]c(C3CC3)nc2c1)N(C)C)c1ccccc1OCC1CCCN(C)C1,SSMUKAPWSYNEAS-UHFFFAOYSA-N
-rxn:2:123001:143222,CCCC(NCC1(N2CCCC2CN(C)C)CCN(C)C1)c1ccc(-c2nc3ccsc3c(=O)[nH]2)cc1,SPYACGXAJDJBQE-UHFFFAOYSA-N
-rxn:2:123174:171582,CCCC(C(NC1CCCc2c(OC3CCCC3)cccc21)c1ccc2c(c1)CCCC2)N1CCCC1,OERMGELWHOWRRS-UHFFFAOYSA-N
-rxn:2:124335:74747,CC1CCCC1(CNC1C[C@H]2CC[C@]1(CS(=O)(=O)[O-])C2(C)C)c1cccs1,NTXBUSZWTHUYSA-RTVNWGEUSA-M
-rxn:2:124533:143853,COCC1C(F)(F)C12CCC(Nc1cncc(C)c1-n1ncc(CN(C)C)c1C)CC2,DXDFXKPSUAMPNJ-UHFFFAOYSA-N
-rxn:2:124533:150407,COCC1C(F)(F)C12CCC(Nc1c(-n3cc(CN(C)C)c(C)n3)ccnc1C)CC2,LKTJLYZBLSNELH-UHFFFAOYSA-N
-rxn:2:124908:147968,CCCCC(/N=c1\ncc2c([nH]1)CC(C)(C)CC2=O)Nc1cn(CC2CC2(F)F)nc1CC(C)C,LRYMFPHXGDOFDD-UHFFFAOYSA-N
-rxn:2:124945:155396,CC(=O)c1ccc(C2C(CSC(C)Nc3cc(=O)[nH]c(=O)n3C(C)C3CCCCC3)C2(F)F)nc1,ZPTLXYOHVAWIGN-UHFFFAOYSA-N
-rxn:2:125276:132685,CC(CCS(=O)(=O)C1CC1)NCC(C)(C)SC12CC3CC(CC(C3)C1)C2,HDAZQITVJUCZJI-UHFFFAOYSA-N
-rxn:2:125370:161470,CCC1CCCCC1OCC(NC1CN(c2nccn3nc(C4CC4)cc23)C1)c1cccn1C,RGHKILSLZJKQQM-UHFFFAOYSA-N
-rxn:2:125726:157191,CCN1CCC(N(C)C(CNC(C)c2ccc(-c3ccncc3)[nH]c2=O)C(C)(C)C)CC1,PJKPCGHNOCBPNM-UHFFFAOYSA-N
-rxn:2:126580:139138,CC1(C)C2CCC1(CS(=O)(=O)[O-])C(NC13CCCC(C1)OC3)C2,TWSLDOCUGZZBRW-UHFFFAOYSA-M
-rxn:2:126600:140627,Cc1ccc(C(C)NCC2(F)CCN(C3CCC3)CC2)c(OS(=O)(=O)F)c1,SZSUJCIWQPJZIQ-UHFFFAOYSA-N
-rxn:2:127614:171582,CCCC(C(NC1CCN(C)C(c2nc3ccccc3[nH]2)C1)c1ccc2c(c1)CCCC2)N1CCCC1,DXZBXZGGGRSXIH-UHFFFAOYSA-N
-rxn:2:127936:150938,CC(N[C@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)C1)c1cnc(-c2ccc(OCC3CC3)nc2)cn1,SUQASDKHZWUMHC-PRJVBOEPSA-N
-rxn:2:128765:146392,Cc1cc(SCC(NCC(C)(C(C)C)N2CCC(N(C)C)CC2)c2cccs2)nc(=O)[nH]1,NPTCFIPVBCMWGS-UHFFFAOYSA-N
-rxn:2:128765:162134,CC(=O)n1cc(-c2ncc(C(C)NCC(C)(C(C)C)N3CCC(N(C)C)CC3)s2)cn1,UYEKKFINOPMCIZ-UHFFFAOYSA-N
-rxn:2:129505:171582,CCCC(C(Nc1ncccc1CN1CCC(N(C)C)CC1)c1ccc2c(c1)CCCC2)N1CCCC1,MLBSDMSXMMDDDI-UHFFFAOYSA-N
-rxn:2:129508:143818,CC(CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)NCc1nc(C(C)C)ncc1N1CCN(C)CC1,PUSKLMIGZNVRFK-UHFFFAOYSA-N
-rxn:2:129853:139138,CC1(C)C2CCC1(CS(=O)(=O)[O-])C(NC1CC3CCC1C31CC1)C2,SMLNUSZJIDZSNR-UHFFFAOYSA-M
-rxn:2:129868:144920,CCN(CCNC(C)c1c(-c2cccc(OC(C)C)c2)cn[nH]c1=O)C1CCN(C)CC1,QQVOXKXDZFXWTE-UHFFFAOYSA-N
-rxn:2:130320:139138,CC1(C)C2CCC1(CS(=O)(=O)[O-])C(N[C@H](c1ccsc1)C1CCOCC1)C2,PGHHMYDNTGDZPS-WZXTXQKWSA-M
-rxn:2:130723:154947,CCCn1nc(CNC(CN2CCC(N(C)C)CC2)c2c[nH]c3ccccc23)c2c1CCC2C,BOXKZJVBYHZFRJ-UHFFFAOYSA-N
-rxn:2:131639:139138,CC1(C)C2CCC1(CS(=O)(=O)[O-])C(N[C@H]1C[C@](C)(F)C1)C2,XDXVQSUAPCOHTK-DTDIOCMLSA-M
-rxn:2:131811:96572,CC(CCCCN1CCSCC1)Nc1cccc(N2CCC(N(C)C)CC2)c1,LKJFXXOYGCIFPP-UHFFFAOYSA-N
-rxn:2:131857:164411,CCCC(NC1CC(C(c2ccc3[nH]cnc3c2)N(C)C)C1)c1ccc2c(c1)N(CCC)CCC2,WULGODUPZXWEMJ-UHFFFAOYSA-N
-rxn:2:132243:126170,CCCC(C(NCc1ccnc(N2CCC(N(C)C)CC2)c1)c1ccc2c(c1)CCC2)N1CCCC1,WCYSTNUDCVBNOD-UHFFFAOYSA-N
-rxn:2:132243:130197,CCC(NCc1ccnc(N2CCC(N(C)C)CC2)c1)c1ccc(N2CCN(C)CC2)nc1C,JAONSGAOGNXARR-UHFFFAOYSA-N
-rxn:2:132349:143818,CC(CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)NCC1(CN2CCn3ccnc3C2)CCOC1,PDRPOEMUMDRCQM-UHFFFAOYSA-N
-rxn:2:132856:139138,CC1(C)C2CCC1(CS(=O)(=O)[O-])C(NC1CC3CCC1CC3)C2,GLHXRRVEAVVSHY-UHFFFAOYSA-M
-rxn:2:132925:139234,CS(=O)(=O)OC1CCC(N[C@H](c2ccc(S(C)(=O)=O)cc2)C2CC2)CC1,WHYNVPBYCAAQRG-HTWSVDAQSA-N
-rxn:2:133599:143818,CC(CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)NCC1(N(C)C2CCOCC2)CCN(C)CC1,AXPCRYDLNJTUER-UHFFFAOYSA-N
-rxn:2:133629:172551,CCOC1CCC(N2CCC(NC(C)c3csc4ccc(-c5ccc6c(c5)CC6)cc34)CC2)CC1,AAQLZBVEMMBAJQ-UHFFFAOYSA-N
-rxn:2:134680:139138,Cc1ccsc1C(OC1CCC1)C(C)NC1CC2CCC1(CS(=O)(=O)[O-])C2(C)C,JPIJQQCFDMCBQA-UHFFFAOYSA-M
-rxn:2:136378:138277,CC(C)CSc1ccc(CNC2CCN(CCOS(C)(=O)=O)CC2)cn1,BQBRZLCOROYHCY-UHFFFAOYSA-N
-rxn:2:136717:155334,CCOc1ccc2c(c1)c(C(NCC(C)Cc1nccc(C3CCN(C)CC3)n1)C1CCC1)cn2C,XPQVPPCZWBYRDX-UHFFFAOYSA-N
-rxn:2:137262:171582,CCCC(C(Nc1cnn(COC2CCCC2)c1)c1ccc2c(c1)CCCC2)N1CCCC1,MEELKGYWPBAYSB-UHFFFAOYSA-N
-rxn:2:137701:142605,CC1CCCC(N(C)C(CNC(c2c[nH]c3ncnn3c2=O)C(C)C)C(C)C)C1,ZQOMUYUDERSRQN-UHFFFAOYSA-N
-rxn:2:138182:126170,CCCC(C(Nc1nc(CN2CCC(N(C)C)CC2)cs1)c1ccc2c(c1)CCC2)N1CCCC1,CFSREVXPNTYENR-UHFFFAOYSA-N
-rxn:2:138182:171582,CCCC(C(Nc1nc(CN2CCC(N(C)C)CC2)cs1)c1ccc2c(c1)CCCC2)N1CCCC1,SKGJONAQEZQZOR-UHFFFAOYSA-N
-rxn:2:138546:126170,CCCC(C(Nc1ccc(N2CCC(N(C)C)CC2)cn1)c1ccc2c(c1)CCC2)N1CCCC1,UEYAXSRYVNHBHN-UHFFFAOYSA-N
-rxn:2:138668:115972,CC1(C)[C@@H]2CC[C@]1(CS(=O)(=O)F)C(NCC1(C3CCS(=O)(=O)C3)CC1)C2,RCVRTTZKILVQLA-RMYJWEKJSA-N
-rxn:2:138668:74747,CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)[O-])C(NCC1(C3CCS(=O)(=O)C3)CC1)C2,GZWRXNNYIZANGY-SEVFCGSRSA-M
-rxn:2:139616:163818,CC(C)n1c(C(NCCN2CCC(N(C)C)CC2)c2ccncc2)nc2c1CCCC2,KFMYTKVFCIKYCY-UHFFFAOYSA-N
-rxn:2:140012:103080,CCC(C)c1ccc(C(NCCCN2CCC3(CC(OC)CCO3)C2)c2cc[nH]n2)cc1,WMHVPNVGBOUQLU-UHFFFAOYSA-N
-rxn:2:140012:153162,CCC(C)c1ccc(C(NCCCN2CCC3(CC(OC)CCO3)C2)c2ccccn2)cc1,CUMUKCGUFWMYHG-UHFFFAOYSA-N
-rxn:2:140012:172908,CCC(C)c1ccc(-c2ncccc2C(C)NCCCN2CCC3(CC(OC)CCO3)C2)cc1,SAFXYPUDKBHDNJ-UHFFFAOYSA-N
-rxn:2:140012:173118,CCC(NCCCN1CCC2(CC(OC)CCO2)C1)c1ccc(-c2cc3cn[nH]c3cc2C)cc1,WGBSVXBZOQHOCD-UHFFFAOYSA-N
-rxn:2:140340:154391,CC(CCCCn1c(=O)c2nc[nH]c2n(C)c1=O)Nc1c(C(C)C)cnn1C(C)C1CC1(F)F,BUXMFSVBHCHMLE-UHFFFAOYSA-N
-rxn:2:141299:143818,CC(CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)NCC(c1ccccn1)N(C)C1CCCN(C)C1,DBMCIXTYLKLUIK-UHFFFAOYSA-N
-rxn:2:142169:142605,CC(C)C(CCN1CCCN(C)CC1)NC(c1c[nH]c2ncnn2c1=O)C(C)C,XXAWQXWLYFSMCH-UHFFFAOYSA-N
-rxn:2:142169:145083,CCCC(NC(CCN1CCCN(C)CC1)C(C)C)c1ccc(-c2n[nH]c(=O)c3ccccc23)cc1,ASEPAEXFYJMGDP-UHFFFAOYSA-N
-rxn:2:142442:171582,CCCC(C(NCC1(c2nccc3cc(OC)ccc23)CCC1)c1ccc2c(c1)CCCC2)N1CCCC1,GCMQQIHGIRDOHA-UHFFFAOYSA-N
-rxn:2:143480:126170,CCCC(C(NC1(C(c2ccc3oc(=O)[nH]c3c2)N(C)C)CC1)c1ccc2c(c1)CCC2)N1CCCC1,JOFQEDQAVDFKAJ-UHFFFAOYSA-N
-rxn:2:143480:145364,CN(C)C(c1ccc2oc(=O)[nH]c2c1)C1(NC(CN2CCCCC2)c2ccc3[nH]c(C4CC4)nc3c2)CC1,BLPDKIUYHGZVLU-UHFFFAOYSA-N
-rxn:2:143480:171582,CCCC(C(NC1(C(c2ccc3oc(=O)[nH]c3c2)N(C)C)CC1)c1ccc2c(c1)CCCC2)N1CCCC1,MLMGASWZKIQKNZ-UHFFFAOYSA-N
-rxn:2:143544:171239,CC(C)CSC(=N)C(F)(F)c1ccc2c(c1)C(Nc1ncnc3c1[nH]c(=O)n3CCN(C)C)CC2,OPUDATOVXSINFN-UHFFFAOYSA-N
-rxn:2:144025:87172,CN1CCC(N(C)CC(NCCC(c2ccc3[nH]c(=O)oc3c2)N(C)C)c2cccn2C)CC1,SFNRTUMWKHRLPP-UHFFFAOYSA-N
-rxn:2:145498:130197,CCC(Nc1ccc2c(c1)c(OCC1CCCC1)nn2C)c1ccc(N2CCN(C)CC2)nc1C,ITJZNMTUISOCQX-UHFFFAOYSA-N
-rxn:2:147749:164411,CCOc1ccc2ccccc2c1C(CN1CCCCC1)NC1CC(C(c2ccc3[nH]cnc3c2)N(C)C)C1,PSNNFCNTYBVPDJ-UHFFFAOYSA-N
-rxn:2:147764:144192,CCOc1ccc(C(C#CN2CCCC2)NCC(c2ccc3[nH]c(C4CC4)nc3c2)N(C)C)cc1C,KDPFJLSSWZODSV-UHFFFAOYSA-N
-rxn:2:147764:97914,Cc1cc(C)cc(OCCN2CCC(NCC(c3ccc4[nH]c(C5CC5)nc4c3)N(C)C)CC2)c1,JXKABGFPLVLWGT-UHFFFAOYSA-N
-rxn:2:148609:87172,CC(NC(CN(C)C1CCN(C)CC1)c1cccn1C)C(c1ccc2[nH]c(=O)oc2c1)N(C)C,VXFBHYKEKNNTGM-UHFFFAOYSA-N
-rxn:2:149432:172545,CCCCSc1nnc2[nH]c(=O)cc(NC(C)c3ccc(C(F)(F)C(=N)SC4CCCC4)cn3)n12,SAFLRHVKHHJVEE-UHFFFAOYSA-N
-rxn:2:151408:126170,CCCC(C(Nc1c2c(nc3ccc(OC(C)C)cc13)CCC2)c1ccc2c(c1)CCC2)N1CCCC1,XAFTZRXBCLQFDQ-UHFFFAOYSA-N
-rxn:2:151408:171582,CCCC(C(Nc1c2c(nc3ccc(OC(C)C)cc13)CCC2)c1ccc2c(c1)CCCC2)N1CCCC1,ZCVXULVGGVQHHX-UHFFFAOYSA-N
-rxn:2:154947:162316,CCc1c(C)nn2c(NC(CN3CCC(N(C)C)CC3)c3c[nH]c4ccccc34)c3c(nc12)CCCCC3,LQXXGNMDCNCYNU-UHFFFAOYSA-N
-rxn:2:154947:167721,CCc1c(C2CC2)nn2c(NC(CN3CCC(N(C)C)CC3)c3c[nH]c4ccccc34)c3c(nc12)CCC3,ZOXKDAPODSMFFH-UHFFFAOYSA-N
-rxn:2:156075:164411,CCOc1ccc2ccccc2c1C(CN1CCOCC1)NC1CC(C(c2ccc3[nH]cnc3c2)N(C)C)C1,MJGHOKYALRYDSS-UHFFFAOYSA-N
-rxn:2:156185:114498,CCC(CN1CCC(N(C)C)CC1)Nc1cc(CN2CCc3ccccc3C2)nn1C,CJGVSYHMCMYGEX-UHFFFAOYSA-N
-rxn:2:164411:155396,CC(=O)c1ccc(C2C(CSC(C)NC3CC(C(c4ccc5[nH]cnc5c4)N(C)C)C3)C2(F)F)nc1,UHPANEPDTYVKQB-UHFFFAOYSA-N
-rxn:2:164411:171582,CCCC(C(NC1CC(C(c2ccc3[nH]cnc3c2)N(C)C)C1)c1ccc2c(c1)CCCC2)N1CCCC1,NZEYOVUZWFHMLI-UHFFFAOYSA-N
-rxn:2:66038:139138,CC1(C)C2CCC1(CS(=O)(=O)[O-])C(NC1CCC(OS(C)(=O)=O)CC1)C2,BZJXPRISHOKVKG-UHFFFAOYSA-M
-rxn:2:66038:145532,CC(NC1CCC(OS(C)(=O)=O)CC1)c1csc(-c2ccnc(N3CCOCC3)c2)c1,RBUHRBMDTWNKOK-UHFFFAOYSA-N
-rxn:2:66038:164359,CC(NC1CCC(OS(C)(=O)=O)CC1)c1ccnc(-c2ccc(N3CCOCC3)nc2)c1,QUHGVIRCBCSIRL-UHFFFAOYSA-N
-rxn:2:66038:67412,CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)F)C(NC1CCC(OS(C)(=O)=O)CC1)C2,BFLBYPPYMBKRCY-XUHHOBLLSA-N
-rxn:2:66061:74747,C[C@@H](NC1C[C@H]2CC[C@]1(CS(=O)(=O)[O-])C2(C)C)C1CC(F)C1,GVCPKDUJFCXWGG-VLICMCRXSA-M
-rxn:2:67338:139138,CC1CCCC(NC2CC3CCC2(CS(=O)(=O)[O-])C3(C)C)(c2cccs2)C1,BIIKFSNOEAXHPO-UHFFFAOYSA-M
-rxn:2:67357:139138,CC1(C)C2CCC1(CS(=O)(=O)[O-])C(NC1CC3CCC(C1)C31SCCS1)C2,LWQFIWRELVWJQM-UHFFFAOYSA-M
-rxn:2:67412:69369,CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)F)C(NC1CCS(=N)(=O)C1)C2,IUGSGDOPPVGKIE-BKVFUQCHSA-N
-rxn:2:67412:81873,CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)F)C(NCC1(S(=O)(=O)C3CC3)CC1)C2,ZHWQTEZAPAYFBP-ZYFOBHMOSA-N
-rxn:2:67602:171582,CCCC(C(Nc1cc(C)ccc1OCC1CCC1)c1ccc2c(c1)CCCC2)N1CCCC1,FPHMOPZDBBPYAN-UHFFFAOYSA-N
-rxn:2:69003:139234,CC(NC1CCC(OS(C)(=O)=O)CC1)C(c1ccncc1)N(C)C1CC1,WPKBOZXVPPXVNG-UHFFFAOYSA-N
-rxn:2:69465:105427,CCN1CCC(Oc2ncncc2NC(c2ccc3c(c2)OCO3)C(C)N(C)CC)CC1,IJHLRAQYBXUSJA-UHFFFAOYSA-N
-rxn:2:69861:143818,CC(CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)NC(C)C(c1cccnc1)N(C)C1CCOCC1,CNGAKYKZCRCLTB-UHFFFAOYSA-N
-rxn:2:70251:143946,CC(CC(C)(C)n1[se]c2ncccc2c1=O)NCCCN1CCC(N(C)C)CC1,XINZYIITGPBLJO-UHFFFAOYSA-N
-rxn:2:70251:163818,CC(C)n1c(C(NCCCN2CCC(N(C)C)CC2)c2ccncc2)nc2c1CCCC2,MGUJQJDFINDDKR-UHFFFAOYSA-N
-rxn:2:70251:168232,CCC(NCCCN1CCC(N(C)C)CC1)c1ccc(N2CCc3ccccc3C2)nc1C,RUEHTGLXGSKBIU-UHFFFAOYSA-N
-rxn:2:70251:169230,CCC(NCCCN1CCC(N(C)C)CC1)c1cnc(N2CCCc3ccccc32)cc1C,IWJPPDLESGCZJW-UHFFFAOYSA-N
-rxn:2:70251:171107,CCC(NCCCN1CCC(N(C)C)CC1)c1ccc(N2CCCc3ccccc32)nc1C,YEXGOBXLLAJDFC-UHFFFAOYSA-N
-rxn:2:70942:143818,CC(CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)NCc1cn(C2CCCCC2)nc1C1CCOC1,LZYLCGCVPYSENF-UHFFFAOYSA-N
-rxn:2:71192:139138,Cc1ccsc1C(NC1CC2CCC1(CS(=O)(=O)[O-])C2(C)C)C1CCC1,BYSOSQZNAJPFMB-UHFFFAOYSA-M
-rxn:2:71481:143818,CC(CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)NC(CN(C)C1CCN(C)CC1)c1ccccc1,IVJYYYTWMAYCCN-UHFFFAOYSA-N
-rxn:2:71941:147968,CCCCC(/N=c1\ncc2c([nH]1)CC(C)(C)CC2=O)Nc1cc(C(F)C(C)C)n(C)n1,ILFUGBGZELOGFN-UHFFFAOYSA-N
-rxn:2:72120:139311,CC(C)Sc1ccc(C(Nc2[nH]nc3c2CN(CCCN(C)C)CC3)C2(C)CC2)cc1,FQNGHLMFPRUWTE-UHFFFAOYSA-N
-rxn:2:72120:140092,CC(C)Oc1ccc(C(Nc2[nH]nc3c2CN(CCCN(C)C)CC3)C2(C)CC2)cc1,INRJMXWBLPHTSD-UHFFFAOYSA-N
-rxn:2:72120:68461,CC1CCN(CC(Nc2[nH]nc3c2CN(CCCN(C)C)CC3)c2cccn2C)C(C)C1,NZUYKEJMIUDQNW-UHFFFAOYSA-N
-rxn:2:72120:71645,CCC(C(Nc1[nH]nc2c1CN(CCCN(C)C)CC2)c1ccccc1)N1CCOCC1,RZGAAWZFXUZXIX-UHFFFAOYSA-N
-rxn:2:72240:139096,CCCCCCC#CC(Nc1[nH]nc2c1CN(CCN(C)C)CC2)c1ccc(C)cc1,SVLSDXAKVHFYDO-UHFFFAOYSA-N
-rxn:2:72406:143818,Cc1ccc(C(N(C)C)C2(CNC(C)CC(c3ccc4[nH]c(=O)[nH]c4c3)N(C)C)CCC2)cc1C,YCJYXYABFWUODF-UHFFFAOYSA-N
-rxn:2:73082:73038,CCC(Nc1ccc2c(c1)N(CCN(C)C)CCS2)c1cnc(N2CCN(CC)CC2)cc1C,PYSYXSCOJRAWKH-UHFFFAOYSA-N
-rxn:2:73158:114642,CCS(=O)(=O)OC[C@H]1CCC(NC[C@@H]2C[C@H](F)CN2Cc2cccs2)C1,HAJMCYLQMPFWFD-KWEKYREISA-N
-rxn:2:73334:155396,CC(=O)c1ccc(C2C(CSC(C)Nc3cc(=O)[nH]n3C(C)C3(C)CC3)C2(F)F)nc1,HHSNKEKWIFDAIL-UHFFFAOYSA-N
-rxn:2:73377:108912,CC(C)CSC(=N)C(F)(F)c1ccc(C(C)NCC(C)(C)N(C)c2n[nH]c(=O)[nH]c2=O)s1,VNKXINQFCBOECC-UHFFFAOYSA-N
-rxn:2:73503:143818,CC(CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)NC(Cc1ccccc1)CN1CCCN(C)CC1,XSHYHCMBNVUYGS-UHFFFAOYSA-N
-rxn:2:73519:108620,CC(C)C1CCC(n2nccc2NC(COCC2CCOC2)c2cccn2C)CC1,FCQALOOXAUPGCM-UHFFFAOYSA-N
-rxn:2:73519:81875,CC(C)C1CCC(c2[nH]ncc2CNC(COCC2CCOC2)c2cccn2C)CC1,XHZXHIZFWLRDKN-UHFFFAOYSA-N
-rxn:2:73525:126600,Cc1ccc(C(C)NCC2CCN2C2CCOCC2)c(OS(=O)(=O)F)c1,WOMQGHFHUQHQJL-UHFFFAOYSA-N
-rxn:2:73779:169538,CCC(NCC1(N2CCC(N(C)C)CC2)CCN(C)C1)c1ccc(-c2cc3cc(OC)ccc3[nH]2)cc1,RWLILMQEBUOCCR-UHFFFAOYSA-N
-rxn:2:74153:130197,CCC(Nc1cccnc1N1CCC(N(C)C)CC1)c1ccc(N2CCN(C)CC2)nc1C,NPCAFWYTEVGGFG-UHFFFAOYSA-N
-rxn:2:74525:92954,CC(=O)c1ccc(CCCSC(C)NC2(c3ncc[nH]3)C(C)(C)CCC2(C)C)c(C)c1,OWRRNOJWSAOPOH-UHFFFAOYSA-N
-rxn:2:74695:126170,CCCC(C(Nc1cnc(OCC2CCCCC2)c(C)c1)c1ccc2c(c1)CCC2)N1CCCC1,KNWNZKGBPZZKQT-UHFFFAOYSA-N
-rxn:2:74747:105774,COC(CNC1C[C@H]2CC[C@]1(CS(=O)(=O)[O-])C2(C)C)C1(SC)CCC1,RKKMSCDIZCEEHA-ARAOSMHQSA-M
-rxn:2:74747:77927,CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)[O-])C(NOCC1(F)CCC1)C2,DEKMJZAGEGKDBV-KKXIITGPSA-M
-rxn:2:74747:81873,CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)[O-])C(NCC1(S(=O)(=O)C3CC3)CC1)C2,SQPZJSLNCAFTEY-ZYFOBHMOSA-M
-rxn:2:74747:92862,COC(CNC1C[C@H]2CC[C@]1(CS(=O)(=O)[O-])C2(C)C)C1(SC)CC1,ADHHJJHIKRPZCL-UWLZSVRSSA-M
-rxn:2:74888:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3NCC(C2CCOC2)N2CCC(N(C)C)CC2)cn1,MBPUKJSOTBURMK-UHFFFAOYSA-N
-rxn:2:74888:166807,CC(NCC(C1CCOC1)N1CCC(N(C)C)CC1)c1ccccc1-c1cnc(=O)n(C)c1,JCEDJJQDRYAHTI-UHFFFAOYSA-N
-rxn:2:75934:139138,CC1(C)C2CCC1(CS(=O)(=O)[O-])C(NC1(c3cccs3)CCCCC1)C2,MGKFFRHGQINNCS-UHFFFAOYSA-M
-rxn:2:75953:155971,CCS(=O)(=O)C1(CNC(C)c2ccnc(-c3ccnc(N4CCN(C)CC4)c3)c2)CCOCC1,SKWNKWISNYCQNO-UHFFFAOYSA-N
-rxn:2:76532:168648,COC1CCOC2(CCN(CCCNC(c3ccc(-c4[nH]nc5cccnc45)cc3)C(C)C)CC2)C1,QWNLPGYADPLJAE-UHFFFAOYSA-N
-rxn:2:76569:96572,CC(CCCCN1CCSCC1)Nc1ccc(N2CC(N(C)C)C2)nc1,HWBYVDVMLVKFGF-UHFFFAOYSA-N
-rxn:2:77684:143818,CC(C)CN(C)CC1CC(NC(C)CC(c2ccc3[nH]c(=O)[nH]c3c2)N(C)C)C1,JISKDBGDEYLYHI-UHFFFAOYSA-N
-rxn:2:78949:151596,CC(CCCCn1c(=O)c2ncn(C)c2n(C)c1=O)Nc1c(C2CC2)cnn1C(C)C1CC1(F)F,FBPSAGTWEMJRKY-UHFFFAOYSA-N
-rxn:2:79049:150938,CC(N[C@H]1C[C@H](O[Si](C)(C)C(C)(C)C)C1)c1cnc(-c2ccc(OCC3CC3)nc2)cn1,SUQASDKHZWUMHC-XYGNKKJESA-N
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-rxn:2:93724:79917,CC(=O)c1cn(C2CCC2SC(C)NCC(F)(F)CN(C)C2CC2)nn1,UMSBGPFSEJUXEA-UHFFFAOYSA-N
-rxn:2:93952:169401,CCC(COC1CCCC(C)C1)NC1CCc2c(-c3cccc4c3CCCC4)cccc21,SYUYIWJRIOLLTN-UHFFFAOYSA-N
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-rxn:2:95786:165978,CCCn1nc(-c2cccs2)cc(C(C)NC2(C)CCN(CCCN(C)C)CC2)c1=O,MKOYMYPCQQBFON-UHFFFAOYSA-N
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-rxn:2:96957:143973,CN1CCC(C(CNC2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)c2ccncn2)CC1,RCILQJLXNGGTFE-UHFFFAOYSA-N
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-rxn:2:114454:129974,CCS(=O)(=O)C(CNCc1ccc(CS(=O)(=O)F)cc1)C1CCCCC1,TXYTYWNIZRISNJ-UHFFFAOYSA-N
-rxn:2:114498:126606,CCOS(=O)(=O)c1ncccc1NC(CC)CN1CCC(N(C)C)CC1,OFTYDXQNVLVIGD-UHFFFAOYSA-N
-rxn:2:114498:147055,CCC(CN1CCC(N(C)C)CC1)Nc1cn(-c2cncc(C3CC3)c2)nc1C1CC1,IYMDFTWUWSPZKD-UHFFFAOYSA-N
-rxn:2:114498:166501,CCC(CN1CCC(N(C)C)CC1)Nc1cnn(-c2ccnc(C3CC3)c2)c1C1CC1,XVSFKVVOCQGLEV-UHFFFAOYSA-N
-rxn:2:114498:168242,CCC(CN1CCC(N(C)C)CC1)Nc1cn(-c2cnccc2C2CC2)nc1C1CC1,IABJVPKNQBOLJU-UHFFFAOYSA-N
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-rxn:2:115991:140202,CC(NC1CCOC2(C1)CC1CCC(C2)N1C)c1ccc(OS(C)(=O)=O)cc1,PQCVFTDYPRKXCQ-UHFFFAOYSA-N
-rxn:2:116846:155396,CC(=O)c1ccc(C2C(CSC(C)NC3(CN(C)C)CC3)C2(F)F)nc1,SVFIVNAAYFQYDI-UHFFFAOYSA-N
-rxn:2:116990:151812,CCC(NC(CSc1n[nH]c(=O)[nH]c1=O)c1cccs1)C(C)N(C)C1CCCN(C)C1,QEZAJLOTOYTREY-UHFFFAOYSA-N
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-rxn:2:120197:144472,CCCC(NCC1(C(C2CCOCC2)N(C)C)COC1)c1ccc(-c2ccc3n[nH]c(=O)n3n2)cc1,DLGWPVJBTJWXPF-UHFFFAOYSA-N
-rxn:2:120197:152904,CCCC(NCC1(C(C2CCOCC2)N(C)C)COC1)c1ccc(-c2cc3[nH]c(=O)[nH]c3cn2)cc1,DFTRJPOGTLHVKT-UHFFFAOYSA-N
-rxn:2:120197:153893,CC(NCC1(C(C2CCOCC2)N(C)C)COC1)c1sccc1-c1cnc2c(=O)[nH]c(=O)[nH]c2c1,MCWLXLFTLXSTAS-UHFFFAOYSA-N
-rxn:2:120197:155721,CCS(=O)(=O)c1ccc(-c2cccnc2C(C)NCC2(C(C3CCOCC3)N(C)C)COC2)cc1,MJYICFXCLJPTGA-UHFFFAOYSA-N
-rxn:2:120197:162970,CCCC(NCC1(C(C2CCOCC2)N(C)C)COC1)c1ccc(-c2cnc3[nH]c(=O)oc3c2)cc1,ZNUMMNQEZQLSIW-UHFFFAOYSA-N
-rxn:2:120197:163163,CCc1[nH]c(=O)[nH]c1C(NCC1(C(C2CCOCC2)N(C)C)COC1)c1ccc(-n2ccnc2)cc1,BOWJETTUQMGAAR-UHFFFAOYSA-N
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-rxn:2:120252:152388,CC(NCC1(N(C)CC2CCCO2)CCN(C)CC1)c1ccc(-c2cc3[nH]c(=O)[nH]c3cn2)s1,JXTISEVUQMMPQC-UHFFFAOYSA-N
-rxn:2:120252:152720,CC(NCC1(N(C)CC2CCCO2)CCN(C)CC1)c1sccc1-c1ccc2n[nH]c(=O)n2c1,BDIJHBRRIAYGDO-UHFFFAOYSA-N
-rxn:2:120678:152050,CC(Nc1snnc1CN1CCN(C)CC1)SCCC#Cc1ccc(C(=O)C(C)C)cc1,BUVPXILPHPXPHS-UHFFFAOYSA-N
-rxn:2:122442:143818,CC1CCC(N(C)Cc2ccoc2CNC(C)CC(c2ccc3[nH]c(=O)[nH]c3c2)N(C)C)CC1,PNFWOXALSGFZSX-UHFFFAOYSA-N
-rxn:2:123001:152388,CC(NCC1(N2CCCC2CN(C)C)CCN(C)C1)c1ccc(-c2cc3[nH]c(=O)[nH]c3cn2)s1,OQFGFRIANNHSDN-UHFFFAOYSA-N
-rxn:2:123406:126600,Cc1ccc(C(C)Nc2ccc(N3CCN(C4COC4)C[C@@H]3C)cn2)c(OS(=O)(=O)F)c1,GWWCWGDMASTZCH-BHWOMJMDSA-N
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-rxn:2:125295:130221,O=S(=O)(F)CC1CC(NCCCOC23CC4CC(CC(C4)C2)C3)C1,DDZBVZGRHRXDNZ-UHFFFAOYSA-N
-rxn:2:125295:142060,CCC(CNC1CC(CS(=O)(=O)F)C1)N(C)C12CC3CC(CC(C3)C1)C2,VSNSTHZESXGCRN-UHFFFAOYSA-N
-rxn:2:125916:167745,CS(=N)(=O)C1CC(CNC(c2ccc(S(C)(=O)=O)cc2)C23CC(C2)C3)C1,KWKJMJUYFPWYHG-UHFFFAOYSA-N
-rxn:2:127959:152050,CC(Nc1nc(=O)nc(C2(C)CCCO2)[nH]1)SCCC#Cc1ccc(C(=O)C(C)C)cc1,PHDUBPWGXALXAJ-UHFFFAOYSA-N
-rxn:2:128765:149148,CC(C)C(C)(CNC(Cc1cnccn1)c1ccc2oc(=O)n(C)c2c1)N1CCC(N(C)C)CC1,DIOWFEAGMXTHRE-UHFFFAOYSA-N
-rxn:2:128765:149407,CC(C)C(C)(CNC(CC1=NCCO1)c1ccc2[nH]c(=O)[nH]c2c1)N1CCC(N(C)C)CC1,LTGNZSCKJBMWIH-UHFFFAOYSA-N
-rxn:2:128765:156370,CC(CCCc1nc2ccccc2c(=O)[nH]1)NCC(C)(C(C)C)N1CCC(N(C)C)CC1,YBPXDNQTDRQITO-UHFFFAOYSA-N
-rxn:2:129505:172731,CCCCC1CC(C(Nc2ncccc2CN2CCC(N(C)C)CC2)c2nc3ccccc3o2)C1,VCXUXUPPTKKCJK-UHFFFAOYSA-N
-rxn:2:129767:158674,CCC(NCCOC1CCC(N(C)C)CC1)c1ccc(-c2ccn(C3COC3)n2)cc1,QDLBLBJKERKPIM-UHFFFAOYSA-N
-rxn:2:129950:131811,CC(CCCN1CCSCC1)Nc1cccc(N2CCC(N(C)C)CC2)c1,RWOAXOBTAIHGQR-UHFFFAOYSA-N
-rxn:2:130385:149407,Cc1ccc(C)c(C(N(C)C)C2(CNC(CC3=NCCO3)c3ccc4[nH]c(=O)[nH]c4c3)COC2)c1,ZDGIZJWDYVVBEW-UHFFFAOYSA-N
-rxn:2:131088:145705,CC(C)C(NCCC1CCC(N2CCC(N(C)C)C2)C1)c1ccc(-c2cnc3[nH]c(=O)[nH]c3c2)cc1,IUVLZCPFEJMESS-UHFFFAOYSA-N
-rxn:2:131811:113250,CC(CCCCN1CCCSCC1)Nc1cccc(N2CCC(N(C)C)CC2)c1,WAFBZGSNNOYJIT-UHFFFAOYSA-N
-rxn:2:131811:147883,Cc1nc2nc(N3CCOCC3)[nH]c(=O)c2cc1C(C)Nc1cccc(N2CCC(N(C)C)CC2)c1,WOXYGNMHRVISDL-UHFFFAOYSA-N
-rxn:2:135267:143818,CC1CN(C)CC(CNC(C)CC(c2ccc3[nH]c(=O)[nH]c3c2)N(C)C)N(Cc2ccncc2)C1,HJIYGJXEAGHZHR-UHFFFAOYSA-N
-rxn:2:135476:156863,CC1CC(C)Oc2cc(C(NC(C)(C)C(c3ccc4[nH]c(=O)[nH]c4c3)N(C)C)C3CC3)ccc2O1,JUIIWKNPAPBCAP-UHFFFAOYSA-N
-rxn:2:136206:84015,CN(C1CC1)C(CNC1CC2CC[C@@]1(CS(=O)(=O)[O-])C2(C)C)C1C2CC3CC(C2)CC1C3,SGSIBYQFJOHEHV-UXBXVQQBSA-M
-rxn:2:136406:143818,CCCc1cnc(N(C)C2CCC(NC(C)CC(c3ccc4[nH]c(=O)[nH]c4c3)N(C)C)CC2)nc1,YFEBOAIUMSOKCS-UHFFFAOYSA-N
-rxn:2:137385:149407,CC(NC(CC1=NCCO1)c1ccc2[nH]c(=O)[nH]c2c1)C(c1ccncc1)N(C)C1CCOCC1,CKRLNHCIMSKPEM-UHFFFAOYSA-N
-rxn:2:138182:136090,CC(=O)c1ccc(C#CCSC(C)Nc2nc(CN3CCC(N(C)C)CC3)cs2)cn1,FXOQNKKWRFXSEV-UHFFFAOYSA-N
-rxn:2:138182:164467,CCC(Nc1nc(CN2CCC(N(C)C)CC2)cs1)c1ccc2oc(=O)c(=O)n(OC(C)C)c2c1,ZVQMSSRRNWVEQO-UHFFFAOYSA-N
-rxn:2:138546:141775,CCC(Nc1ccc(N2CCC(N(C)C)CC2)cn1)c1ccc(N2CCN(C(C)C)CC2)nc1C,ZULSIBKYEQGBEN-UHFFFAOYSA-N
-rxn:2:138546:147524,CCc1nc2cc(C(CCN3CCCC3)Nc3ccc(N4CCC(N(C)C)CC4)cn3)ccc2[nH]1,MVPCGWLVDWATPP-UHFFFAOYSA-N
-rxn:2:138546:87087,CCC(Nc1ccc(N2CCC(N(C)C)CC2)cn1)c1cnc(N2CCN(C(C)C)CC2)cc1C,GKDRWQBGUGPWBL-UHFFFAOYSA-N
-rxn:2:138573:142505,CC(=O)c1ccc(C2C(CCSC(C)NC3(C)CN(C)C3)C2(F)F)nc1,LHBJUOXUQWCEPI-UHFFFAOYSA-N
-rxn:2:141552:161479,CC(CCC1(c2ccc3[nH]c(=O)[nH]c3c2)COC1)Nc1cncnc1OC1CCC(N(C)C)CC1,LHFXQQULBUKSLL-UHFFFAOYSA-N
-rxn:2:143544:149822,CCC(Nc1ncnc2c1[nH]c(=O)n2CCN(C)C)c1ccc(C2C(CSC(C)=O)C2(F)F)cc1,IWYOJZFODZGKQY-UHFFFAOYSA-N
-rxn:2:144025:73038,CCC(NCCC(c1ccc2[nH]c(=O)oc2c1)N(C)C)c1cnc(N2CCN(CC)CC2)cc1C,YMZQQVAVYBIHOL-UHFFFAOYSA-N
-rxn:2:149407:141368,CC1CCC(NC(CC2=NCCO2)c2ccc3[nH]c(=O)[nH]c3c2)C(CN(C)Cc2ccoc2)C1,IIKACRKEXSXPCR-UHFFFAOYSA-N
-rxn:2:153416:117468,CCC(NC(C)CN(C)Cc1ccc2[nH]c(=O)[nH]c2c1)c1ccc(N2CCN(C(C)C)CC2)nc1,WQDYWCBWBZDKRF-UHFFFAOYSA-N
-rxn:2:155563:154947,CCc1nn2c(NC(CN3CCC(N(C)C)CC3)c3c[nH]c4ccccc34)cc(C3CC3)nc2c1C1CC1,RSOJATDCONOXKW-UHFFFAOYSA-N
-rxn:2:156341:72574,CC1CCC(NC(C)CN(C)Cc2ccc3[nH]c(=O)oc3c2)C(CN(C)Cc2nccn2C)C1,QVSQCTLNAGLJJM-UHFFFAOYSA-N
-rxn:2:161829:114498,CCc1nn(-c2ccncc2C(C)C)c(NC(CC)CN2CCC(N(C)C)CC2)c1C,XTONRPVLZGFEAE-UHFFFAOYSA-N
-rxn:2:163399:83263,CC(C)c1cc(C(NC2CCN(CCCCN(C)C)C(C)C2)c2cccs2)c(=O)[nH]n1,DCNIXRXQLNGWCA-UHFFFAOYSA-N
-rxn:2:66049:154947,CCCC1CC(C(NC(CN2CCC(N(C)C)CC2)c2c[nH]c3ccccc23)c2ccnn2C)C1,LXLIRRVHYNKZTA-UHFFFAOYSA-N
-rxn:2:66824:141775,CCC(Nc1n[nH]c2cc(OCCN(C)C)ccc12)c1ccc(N2CCN(C(C)C)CC2)nc1C,BAVKQWWLXIRCDH-UHFFFAOYSA-N
-rxn:2:67432:152317,CC(NC(C)c1ccc(OCc2ccccc2)c2c1=CCC(=O)N=2)c1nc(CCN2CCOCC2)n[nH]1,JRQRLGFRKVRZLD-UHFFFAOYSA-N
-rxn:2:68083:146538,CCOC1(CNC(c2ccc(OC)cc2)c2c[nH]c(C(=O)N=CN(C)C)c2)CCOC1,WPXROFADTTZPIM-UHFFFAOYSA-N
-rxn:2:68298:74888,CC(NCC(C1CCOC1)N1CCC(N(C)C)CC1)c1c(-c2ccsc2)cnn1C,HISWIBTYFILTDE-UHFFFAOYSA-N
-rxn:2:69532:81944,CCC(Nc1ccn(CCN2CCCC2)n1)C1CCN(C2CCCC2)C1,DCXLMNGCXMZQAP-UHFFFAOYSA-N
-rxn:2:69705:166663,CC(C)[C@@H]1C[C@@H](NC(C#CN2CCN(C)CC2)c2ccc3[nH]cnc3c2)[C@H](F)CO1,LANCJRGDDKSDST-XHZPGGPDSA-N
-rxn:2:69826:117066,CC(NCC(C1C2CC3CC(C2)CC1C3)N(C)C)c1ccc(OS(=O)(=O)[O-])cc1,OHJDZBSMUBSMFG-UHFFFAOYSA-M
-rxn:2:69927:79800,CN1CCC2(C1)Oc1ccccc1C2CNCCS(=O)(=O)N=S(C)(C)=O,DTICJXJKOMLJNU-UHFFFAOYSA-N
-rxn:2:70047:149426,CCc1c(C(C)C(C)C)n[nH]c1NC(C)SCCC#Cc1ccc(C(=O)C2CC2)cc1,FYOGHEQDZVRQRU-UHFFFAOYSA-N
-rxn:2:70123:114454,CCS(=O)(=O)c1ccc(C(NCC(C2CCCCC2)S(=O)(=O)CC)C2CC2)cc1,MRSYZPGEZNYYSP-UHFFFAOYSA-N
-rxn:2:70172:148009,CC(=O)c1ccc(C)c(C#CCCSC(C)NC2(c3ncc[nH]3)CC(C)(C)CC2C)c1,RELRCNIHOZRIQH-UHFFFAOYSA-N
-rxn:2:70251:164715,CC(C)C(NCCCN1CCC(N(C)C)CC1)c1cccc2c1nnn2C1CC1,AAZHNPAXWQNURJ-UHFFFAOYSA-N
-rxn:2:70251:168631,CN(C)C#CC(NCCCN1CCC(N(C)C)CC1)c1ccc2oc(=O)[nH]c2c1,OODLRKVCAITDEI-UHFFFAOYSA-N
-rxn:2:70251:76189,CC(NCCCN1CCC(N(C)C)CC1)c1ccn(C(C)C2CC2)n1,OICZYDKNARGPKU-UHFFFAOYSA-N
-rxn:2:70685:122528,CC(C)C(C)(CC12CC3CC(CC(C3)C1)C2)NC1CC(S(=O)(=O)F)C1,FNOBAIQFPUQPCA-UHFFFAOYSA-N
-rxn:2:70685:87807,CCC(C)(CCC12CC3CC(CC(C3)C1)C2)NC1CC(S(=O)(=O)F)C1,OQWWMQTYUGBVAC-UHFFFAOYSA-N
-rxn:2:71728:79800,CC1(C(NCCS(=O)(=O)N=S(C)(C)=O)c2ccc(C3CCC3)cc2)CC1,BYIJFCGPRCARQX-UHFFFAOYSA-N
-rxn:2:71988:109813,CC(CC(c1ccncc1)N1CCOCC1)Nc1cccnc1OCC1CCN(C)CC1,XDWZAOUUVXTECD-UHFFFAOYSA-N
-rxn:2:72105:167745,CS(=O)(=O)CC(CNC(c1ccc(S(C)(=O)=O)cc1)C12CC(C1)C2)C1CCCC1,ZZXXRXINTZQAIH-UHFFFAOYSA-N
-rxn:2:72131:143818,CCC(NC(C)CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)C(c1ccncc1)N1CCCCC1C,NYEZIFXEWUADMV-UHFFFAOYSA-N
-rxn:2:72574:168277,CC1CCC(NC(C)C2(c3ccc4oc(=O)[nH]c4c3)COC2)C(CN(C)Cc2nccn2C)C1,ZPYZJKYGDLNOFD-UHFFFAOYSA-N
-rxn:2:72611:113250,CC(CCCCN1CCCSCC1)NC1CC(C(c2ccncc2)N(C)C)C1,ROEUWHBRJYDFGT-UHFFFAOYSA-N
-rxn:2:73124:104106,CC(=O)c1cncc(C#CCCSC(C)NOCCN2CCSCC2)c1,VAZHSBVLCNBPEY-UHFFFAOYSA-N
-rxn:2:73334:142505,CC(=O)c1ccc(C2C(CCSC(C)Nc3cc(=O)[nH]n3C(C)C3(C)CC3)C2(F)F)nc1,RSNKPQNGFDSZCV-UHFFFAOYSA-N
-rxn:2:73467:117066,CC(NC1(C(C2CCN(C)CC2)N(C)C)CC1)c1ccc(OS(=O)(=O)[O-])cc1,KSMKWZTZRGLPBS-UHFFFAOYSA-M
-rxn:2:73779:143222,CCCC(NCC1(N2CCC(N(C)C)CC2)CCN(C)C1)c1ccc(-c2nc3ccsc3c(=O)[nH]2)cc1,DLNSNGNSZUAQBP-UHFFFAOYSA-N
-rxn:2:74152:86237,CC(=O)c1cc(C2C(CSC(C)Nc3n[nH]cc3N(C)CC3CCCO3)C2(F)F)cs1,UTABPBIQPXJDOF-UHFFFAOYSA-N
-rxn:2:74153:100289,CC(C(Nc1cccnc1N1CCC(N(C)C)CC1)c1ccc2c(c1)OCO2)N1CCCC1,ILUYCFXOYUIGRL-UHFFFAOYSA-N
-rxn:2:74153:106196,CC(Nc1cccnc1N1CCC(N(C)C)CC1)c1cnccc1OCCN1CCOCC1,MPQOOFWZZXFBCH-UHFFFAOYSA-N
-rxn:2:74153:74570,CCn1nc(C)c(C(C)Nc2cccnc2N2CCC(N(C)C)CC2)c1OCC1CC1,BEFXMMZBXBCQIP-UHFFFAOYSA-N
-rxn:2:74629:67412,CCC(C)C1(NC2C[C@H]3CC[C@]2(CS(=O)(=O)F)C3(C)C)CC1,ATNXVOLDRNNANN-YWIABWOTSA-N
-rxn:2:74647:146273,CC(CN(C)C)Oc1cncc(NC(C)SCCC#Cc2ccc3c(c2)C(=O)CCO3)n1,SJEGVCONENHKLK-UHFFFAOYSA-N
-rxn:2:74888:147286,CC1Cc2c(cnc3[nH]n(-c4ccccc4)c(=O)c23)C(NCC(C2CCOC2)N2CCC(N(C)C)CC2)C1,OJLSIVLHQHDONU-UHFFFAOYSA-N
-rxn:2:74888:149683,CCCC(NCC(C1CCOC1)N1CCC(N(C)C)CC1)c1ccc(-c2ccc3[nH][nH]c(=O)c3c2)cc1,MABWVJITWVCBQN-UHFFFAOYSA-N
-rxn:2:74888:152904,CCCC(NCC(C1CCOC1)N1CCC(N(C)C)CC1)c1ccc(-c2cc3[nH]c(=O)[nH]c3cn2)cc1,HXAIUOINBABQLS-UHFFFAOYSA-N
-rxn:2:74888:154273,CCCC(NCC(C1CCOC1)N1CCC(N(C)C)CC1)c1ccc(-c2ccc3n[nH]c(=O)n3c2)cc1,ZPNCSWBZUNLPHW-UHFFFAOYSA-N
-rxn:2:74888:162193,CC(NCC(C1CCOC1)N1CCC(N(C)C)CC1)c1ccccc1-c1ccc2[nH]c(=O)oc2c1,XWMQMTNSNDGTTL-UHFFFAOYSA-N
-rxn:2:75173:139138,CC1(C)C2CCC1(CS(=O)(=O)[O-])C(NC1(c3cccc(C4CCOCOC4)c3)CC1)C2,YOCDJLGYJCOZCJ-UHFFFAOYSA-M
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-rxn:2:76154:117066,CC(NCCN(C)CC1CCN(C)CC1)c1ccc(OS(=O)(=O)[O-])cc1,DQYGEARQQPKFIG-UHFFFAOYSA-M
-rxn:2:76569:155396,CC(=O)c1ccc(C2C(CSC(C)Nc3ccc(N4CC(N(C)C)C4)nc3)C2(F)F)nc1,UVZJXVPUNXJNFN-UHFFFAOYSA-N
-rxn:2:77257:84015,CC1(C)C2CC[C@]1(CS(=O)(=O)[O-])C(NC(c1cccc(S(C)(=O)=O)c1)C1CCC1)C2,CZMNUPLWECIAPU-GBUUITIBSA-M
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-rxn:2:77665:111610,CC(=O)c1cncc(C2CC2CSC(C)NC2(COS(=O)(=O)[O-])CCCC2)c1,RKBXCTBXWGVLPL-UHFFFAOYSA-M
-rxn:2:77943:143480,CC(CCCN1CCN(c2ccccn2)CC1)NC1(C(c2ccc3oc(=O)[nH]c3c2)N(C)C)CC1,FVIHHTLROFGTHA-UHFFFAOYSA-N
-rxn:2:78267:99521,CC(=O)c1sccc1C1CC1CCSC(C)NCC12CC(S(C)(=O)=O)(CO1)C2,URHVLZQQSYGTIB-UHFFFAOYSA-N
-rxn:2:78352:83263,CC(C)COc1ncc(NC2CCN(CCCCN(C)C)C(C)C2)cn1,FXFIDCGICRIVNA-UHFFFAOYSA-N
-rxn:2:78582:114498,CCC(CN1CCC(N(C)C)CC1)Nc1nc2ccc(OCCC(C)C)cc2s1,CGWCSCKRTMNQOR-UHFFFAOYSA-N
-rxn:2:79124:100356,CCc1ccc(C(CS(C)(=O)=O)NCC2(S(=O)(=O)C3CCCC3)COC2)s1,BXBOTCXQYCZVKF-UHFFFAOYSA-N
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-rxn:2:79800:157049,CS(C)(=O)=NS(=O)(=O)CCNC1CC2(CS(=O)(=O)C2)Oc2ccccc21,MDZHGMDZQCVVAF-UHFFFAOYSA-N
-rxn:2:79800:85194,Cc1ccc(C)c(C2CCCCCC2NCCS(=O)(=O)N=S(C)(C)=O)c1,BPCQBIODOFASGW-UHFFFAOYSA-N
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-rxn:2:83263:121457,CC(C)COc1ccc(NC2CCN(CCCCN(C)C)C(C)C2)cn1,MCVGHQPOPCDGMV-UHFFFAOYSA-N
-rxn:2:83263:129013,CC(C)C(C)c1cc(NC2CCN(CCCCN(C)C)C(C)C2)[nH]n1,KUWNNIVTOCRXTJ-UHFFFAOYSA-N
-rxn:2:83263:163399,CC(C)c1cc(C(NC2CCN(CCCCN(C)C)C(C)C2)c2cccs2)c(=O)[nH]n1,DCNIXRXQLNGWCA-UHFFFAOYSA-N
-rxn:2:83263:99624,CC(C)C(C)n1ccc(NC2CCN(CCCCN(C)C)C(C)C2)n1,ZZNNCQYEEORECQ-UHFFFAOYSA-N
-rxn:2:83263:99878,CC(C)C(C)Oc1ncc(NC2CCN(CCCCN(C)C)C(C)C2)cn1,SCVRWARXHMETMB-UHFFFAOYSA-N
-rxn:2:83663:146538,COc1ccc(C(NC[C@@H]2C[C@H](F)CN2Cc2noc(C)n2)c2c[nH]c(C(=O)N=CN(C)C)c2)cc1,VSNVJMBZIMCXGG-ZRENRBBTSA-N
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-rxn:2:83683:111610,CCCC(C(NC1(COS(=O)(=O)[O-])CCCC1)c1cccs1)N1CCCC1,PGEOJXNEXRPFEF-UHFFFAOYSA-M
-rxn:2:83900:138546,CCCCC1CC(C(Nc2ccc(N3CCC(N(C)C)CC3)cn2)c2ccnn2C)C1,JIQBWCHTXRINRJ-UHFFFAOYSA-N
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-rxn:2:84123:163813,CC(NCCCCC1(C)N=N1)SCC#Cc1ccc(C(=O)C2CC2)cc1,TYKDUNMIHOXKCA-UHFFFAOYSA-N
-rxn:2:84656:106168,CCC1CC(C(NC2CC(CN(C)Cc3ccc4c(c3)OCO4)C2)c2ccnn2C)C1,GIIKGOQAYUUJRY-UHFFFAOYSA-N
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-rxn:2:85633:139138,Cc1cccc(C(CNC2CC3CCC2(CS(=O)(=O)[O-])C3(C)C)N(C)C2CCCCC2)c1,NHJBTGRLYLPIPM-UHFFFAOYSA-M
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-rxn:2:85828:132685,CC(CCS(=O)(=O)C1CC1)NCC(C)(C1CC1)C1C2CC3CC(C2)CC1C3,QKJYHMXFTXEDOC-UHFFFAOYSA-N
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-rxn:2:86390:158492,CC(CNC1CCN(c2cncnc2OC2COC2)CC1)C(c1ccc2oc(=O)[nH]c2c1)N(C)C,IXEICNMHJORVJR-UHFFFAOYSA-N
-rxn:2:86416:148983,CC(NCC1(C(C2CCN(C)CC2)N(C)C)CCC1)c1ccc(-c2ccc3o[nH]c(=O)c3c2)s1,IXLRIFLLFVONJA-UHFFFAOYSA-N
-rxn:2:86970:161479,CC(CCC1(c2ccc3[nH]c(=O)[nH]c3c2)COC1)NCc1nccnc1N1CCCC1CN(C)C,VMAKWJQLZGMXFN-UHFFFAOYSA-N
-rxn:2:87093:125295,CC(CN(C)C1C2CC3CC(C2)CC1C3)NC1CC(CS(=O)(=O)F)C1,IWHRSXRODZHVHU-UHFFFAOYSA-N
-rxn:2:88294:161479,CC(CCC1(c2ccc3[nH]c(=O)[nH]c3c2)COC1)NCC1(N(C)Cc2ncccn2)CCCCCC1,VIPYCDLASVREAW-UHFFFAOYSA-N
-rxn:2:90603:154947,CCC1CCN(c2c(NC(CN3CCC(N(C)C)CC3)c3c[nH]c4ccccc34)c(C)nn2C)CC1,ANOQGYQWOVAEQS-UHFFFAOYSA-N
-rxn:2:90798:143818,CC(CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)NC(C)C(c1ccncc1)N1CCOC(C)(C)C1,UEUJAIBQWAQOBJ-UHFFFAOYSA-N
-rxn:2:91160:123020,CCC(C)C(C)n1ccc(NC2CCC(N(C)CCN(C)C)CC2)n1,ZQBJVZSTZRPYOB-UHFFFAOYSA-N
-rxn:2:91160:134342,CC(C)C(C)c1cc(NC2CCC(N(C)CCN(C)C)CC2)n(C)n1,XUBLOQPFELHLOA-UHFFFAOYSA-N
-rxn:2:91184:123428,CCCC1CC(C(NCC(c2ccco2)N2CCC(N(C)C)CC2)c2ccnn2C)C1,MHKSRNOKTRMLKJ-UHFFFAOYSA-N
-rxn:2:91184:129950,CC(CCCN1CCSCC1)NCC(c1ccco1)N1CCC(N(C)C)CC1,JQRQKLPMIWDRKM-UHFFFAOYSA-N
-rxn:2:91379:127230,CC(C)C(Nc1ccccc1N1CCC(N(C)C)CC1)c1csc(N2CCOCC2)n1,FXHLJHZYHZXYEL-UHFFFAOYSA-N
-rxn:2:91379:147883,Cc1nc2nc(N3CCOCC3)[nH]c(=O)c2cc1C(C)Nc1ccccc1N1CCC(N(C)C)CC1,USJJHPVYNSGWNC-UHFFFAOYSA-N
-rxn:2:91702:139138,CCc1ccc(C2(CNC3CC4CCC3(CS(=O)(=O)[O-])C4(C)C)CCCN(C)CC2)cc1,ZGMUMHLBGRSHOK-UHFFFAOYSA-M
-rxn:2:92057:142505,CC(=O)c1ccc(C2C(CCSC(C)Nc3cc(=O)[nH]n3C(C)C3CCOC3)C2(F)F)nc1,ZDRHBXFJYDSEMC-UHFFFAOYSA-N
-rxn:2:92057:154947,CC(C1CCOC1)n1[nH]c(=O)cc1NC(CN1CCC(N(C)C)CC1)c1c[nH]c2ccccc12,CZOGUVXQIZOUDB-UHFFFAOYSA-N
-rxn:2:92077:143818,CCN1CCN(CCC2(NC(C)CC(c3ccc4[nH]c(=O)[nH]c4c3)N(C)C)COC2)CC1,MUGQEEJTJFBETK-UHFFFAOYSA-N
-rxn:2:92512:143818,CC(CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)NCC1COCCN1c1ncc(C2CCC2)cn1,KLJFLRMDCXVCES-UHFFFAOYSA-N
-rxn:2:93686:106196,CC(Nc1cnccc1N1CCC(N(C)C)CC1)c1cnccc1OCCN1CCOCC1,KBYZPRJJKMPVEN-UHFFFAOYSA-N
-rxn:2:96485:143784,CCC(NC1(c2ncc[nH]2)CCCC(N(C)C)C1)c1ccc2oc(=O)c(=O)n(OCC(C)C)c2c1,LPZMXTLOPYVQOF-UHFFFAOYSA-N
-rxn:2:96485:152050,CC(NC1(c2ncc[nH]2)CCCC(N(C)C)C1)SCCC#Cc1ccc(C(=O)C(C)C)cc1,GKOVPOCBDLPLMN-UHFFFAOYSA-N
-rxn:2:96557:154947,CCc1nn(C2CCC2)c(NC(CN2CCC(N(C)C)CC2)c2c[nH]c3ccccc23)c1C1CC1,ZNCDWUQLUYRANT-UHFFFAOYSA-N
-rxn:2:96572:110003,CC(CCCCN1CCSCC1)Nc1ccc(N2CCC(N(C)C)CC2)nc1,BGQIEMVAAOSQHV-UHFFFAOYSA-N
-rxn:2:97549:111610,CC(NC1(COS(=O)(=O)[O-])CCCC1)c1ccc(C#CCN(C)C)s1,LAAONVPMXPZLBJ-UHFFFAOYSA-M
-rxn:2:98744:148609,CCCC1(CN(C)C)CCC(NC(C)C(c2ccc3[nH]c(=O)oc3c2)N(C)C)CC1,ALOYUYPJTCBXPV-UHFFFAOYSA-N
-rxn:2:99521:124420,CCN(CC(NCC12CC(S(C)(=O)=O)(CO1)C2)c1cccs1)C1CC1,WWCNPUNYFSNXFO-UHFFFAOYSA-N
-rxn:2:99612:143480,CC(CCc1nc(C2CCCN(C)C2)cs1)NC1(C(c2ccc3oc(=O)[nH]c3c2)N(C)C)CC1,KSOYVBAGMLHSAO-UHFFFAOYSA-N
-rxn:2:100234:144460,CCC(NC1(c2nc(N3CCOCC3)n[nH]2)CC1)c1cccc(C2C(CSC(C)=O)C2(F)F)c1,GMXDLBPHQWHLJU-UHFFFAOYSA-N
-rxn:2:100234:149822,CCC(NC1(c2nc(N3CCOCC3)n[nH]2)CC1)c1ccc(C2C(CSC(C)=O)C2(F)F)cc1,NHIGTMHOZFCZNI-UHFFFAOYSA-N
-rxn:2:100417:88564,C[C@H](NC1C2(C)CCC3C2(C)COC31S(=O)(=O)[O-])C12CC3CC(CC(C3)C1)C2,BNYBEHZBJKXJKA-NLUALPKDSA-M
-rxn:2:100699:171582,CCCC(C(Nc1ccc(CN2CCN(CC)CC2)cn1)c1ccc2c(c1)CCCC2)N1CCCC1,ILJPOOBLAZNNRM-UHFFFAOYSA-N
-rxn:2:101296:155396,CC(=O)c1ccc(C2C(CSC(C)NCC(C)(C)CN3CCOCC3)C2(F)F)nc1,OBFXBTURERXRKD-UHFFFAOYSA-N
-rxn:2:101328:126600,Cc1ccc(C(C)NCC2CCN(CCN(C)C)CC2)c(OS(=O)(=O)F)c1,GTMOPDQTQHLFEM-UHFFFAOYSA-N
-rxn:2:101511:139138,CC1(C)C2CCC1(CS(=O)(=O)[O-])C(NCC1CC3CCC(C1)N3Cc1ccccc1)C2,NBYNJWVRNHPFND-UHFFFAOYSA-M
-rxn:2:101597:130197,CCC(NC1CC(C)(COC)Oc2ccccc21)c1ccc(N2CCN(C)CC2)nc1C,PUZKOQANTGLPDX-UHFFFAOYSA-N
-rxn:2:102308:126170,CCCC(C(Nc1cnc(N2CCCC(C)C2)c(OCC)c1)c1ccc2c(c1)CCC2)N1CCCC1,PSRKOVYTVYNUMY-UHFFFAOYSA-N
-rxn:2:102308:171582,CCCC(C(Nc1cnc(N2CCCC(C)C2)c(OCC)c1)c1ccc2c(c1)CCCC2)N1CCCC1,XCJPMODGXJYVTR-UHFFFAOYSA-N
-rxn:2:102540:140699,CCCC(CS(=O)(=O)F)NCC(C)SC1C2CC3CC(C2)CC1C3,BONPUMYGGDWVCT-UHFFFAOYSA-N
-rxn:2:102544:142451,CC(=O)c1cncc(C2C(CCSC(C)Nc3n[nH]cc3N(C)CC(C)(C)C)C2(F)F)c1,RHJMJFZGPFWKHC-UHFFFAOYSA-N
-rxn:2:102544:152761,CC(=O)c1cccc(C2C(CCSC(C)Nc3n[nH]cc3N(C)CC(C)(C)C)C2(F)F)n1,RJNSBGBUHROZDN-UHFFFAOYSA-N
-rxn:2:102573:121027,CC(C)(C)C(NC1CCc2cccc(O[Si](C)(C)C(C)(C)C)c21)c1n[nH]c(C2CCCC2)n1,FETHAUZVKAXDSS-UHFFFAOYSA-N
-rxn:2:102626:112215,CCOC1CCN(c2ccc(CNC(c3ccc4c(c3)CCC4)C(CC)N3CCCC3)cn2)CC1,RITJAFOLWFTRFK-UHFFFAOYSA-N
-rxn:2:102626:115389,CCOC1CCN(c2ccc(CNC(c3ccc4c(c3)CCCC4)C(CC)N3CCCC3)cn2)CC1,ZFPNRAIVTSURRM-UHFFFAOYSA-N
-rxn:2:103496:166901,CS(=O)(=O)c1ccc(-c2ccc3c(c2)C(NC24CC5CC(C2)C2(N=N2)C(C5)C4)CO3)cc1,SGUTWQWDFHOANY-UHFFFAOYSA-N
-rxn:2:104664:126170,CCCC(C(Nc1cc(CN2CCN(CC)CC2)[nH]n1)c1ccc2c(c1)CCC2)N1CCCC1,QVDOILFRVHJQHU-UHFFFAOYSA-N
-rxn:2:104874:126600,CSCC(NC(C)c1ccc(C)cc1OS(=O)(=O)F)C1CCCN(C)C1,ZDBNBKLSOZMECV-UHFFFAOYSA-N
-rxn:2:104928:143973,COc1ccc(C)cc1C1(NC2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)CCCC1,PDAGLYICDXIFTK-UHFFFAOYSA-N
-rxn:2:105364:139138,CC1(C)C2CCC1(CS(=O)(=O)[O-])C(NC13CC4(C)C1CCC43C)C2,XCSPEMORDKLRBU-UHFFFAOYSA-M
-rxn:2:105378:125295,CCN1CC2CC(C)(C)CC(NC3CC(CS(=O)(=O)F)C3)(C1)C2(F)F,KLZRZIDBQHTISH-UHFFFAOYSA-N
-rxn:2:105790:122080,CC(CCS(=O)(=O)F)NCC(C)(C1C2CC3CC(C2)CC1C3)N(C)C,OXSCCMZJDNBBFF-UHFFFAOYSA-N
-rxn:2:105790:134989,CC(NCC(C)(C1C2CC3CC(C2)CC1C3)N(C)C)c1cccc(S(=O)(=O)F)c1,HAFBHYPGOWXMMW-UHFFFAOYSA-N
-rxn:2:105977:139138,CC1CCC(OCc2ccc(CNC3CC4CCC3(CS(=O)(=O)[O-])C4(C)C)cc2)CC1,UXSRJZDYCVSDQG-UHFFFAOYSA-M
-rxn:2:106131:143973,CN1CCN(C(CCNC2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)c2ccccn2)CC1,FPSHSYCOIIEQHQ-UHFFFAOYSA-N
-rxn:2:106172:171582,CCCC(C(Nc1cnccc1OCC(C)C)c1ccc2c(c1)CCCC2)N1CCCC1,HWIVBERAZSIDDB-UHFFFAOYSA-N
-rxn:2:106713:139138,CC1CCN(CC(C)(NC2CC3CCC2(CS(=O)(=O)[O-])C3(C)C)c2ccccc2)CC1,NXRXTBRDUBYQKW-UHFFFAOYSA-M
-rxn:2:106845:153662,CCc1ccc(C(Nc2cn(C)c(=O)n(CCOC)c2=O)C23CN4CN(CN(C4)C2)C3)cc1,QTUICVJAEWKAAZ-UHFFFAOYSA-N
-rxn:2:107693:171582,CCCC(C(N[C@@H]1COc2cccc(OC)c2C1)c1ccc2c(c1)CCCC2)N1CCCC1,HKYCKAILYMUSCI-VSRGENKSSA-N
-rxn:2:107906:109848,CCCC(C)(CNC(c1ccccc1)C(F)N1CN(F)C=N1)N1CCCN(C)CC1,IZVQGYQLWWHKSC-UHFFFAOYSA-N
-rxn:2:107964:126170,CCCC(C(Nc1ccc(OC2CCN(C(C)C)CC2)nc1)c1ccc2c(c1)CCC2)N1CCCC1,ACWZVUJLMDAVCO-UHFFFAOYSA-N
-rxn:2:107964:171582,CCCC(C(Nc1ccc(OC2CCN(C(C)C)CC2)nc1)c1ccc2c(c1)CCCC2)N1CCCC1,OXHKQOAWWAMBJX-UHFFFAOYSA-N
-rxn:2:108479:159007,CCOCc1cccc(-c2ccc(C(C)NCc3nccc(N4CCC(N(C)C)CC4)n3)c3c2OCO3)c1,HHIASDLBZBBUEE-UHFFFAOYSA-N
-rxn:2:109467:91416,CN(C1CC1)C1(CNC2CC3CCC2(CS(=O)(=O)F)C3(C)C)CN2CCC1CC2,XZELLRZWQDPRCP-UHFFFAOYSA-N
-rxn:2:109579:156200,CCCCC1CCC(c2cc(NC(C)c3cc4c(cc3-c3cccnc3OCC)OCCO4)[nH]n2)CC1,GTJZVLNUOKUTNB-UHFFFAOYSA-N
-rxn:2:109603:126170,CCCC(C(Nc1ccc(N2CCCC(C)C2)nc1OCC)c1ccc2c(c1)CCC2)N1CCCC1,IOVDZRDFUBBFAF-UHFFFAOYSA-N
-rxn:2:109603:171582,CCCC(C(Nc1ccc(N2CCCC(C)C2)nc1OCC)c1ccc2c(c1)CCCC2)N1CCCC1,PMDWLSASGPDANR-UHFFFAOYSA-N
-rxn:2:109712:155396,CC(=O)c1ccc(C2C(CSC(C)NC(C)(C)c3nc(C4CCCC4)nn3C)C2(F)F)nc1,QNHRHZCGHUFFOA-UHFFFAOYSA-N
-rxn:2:109813:140449,CC(CC(c1ccncc1)N1CCOCC1)Nc1ccccc1OCCN1CCC(C)(C)CC1,FTQXQNIFWCJOBJ-UHFFFAOYSA-N
-rxn:2:111117:171582,CCCC(C(Nc1cccnc1OC1COC1)c1ccc2c(c1)CCCC2)N1CCCC1,OYFAVEHFRGADQF-UHFFFAOYSA-N
-rxn:2:111602:139138,CC1(C)C2CCC1(CS(=O)(=O)[O-])C(NC1C3CN4CCN(C3)CC1(c1ccccc1)C4)C2,ZSEJBLKNAAXLGE-UHFFFAOYSA-M
-rxn:2:112052:126170,CCCC(C(NC(C)(C)COc1ncccc1C)c1ccc2c(c1)CCC2)N1CCCC1,KKCOLTXUJHJJJJ-UHFFFAOYSA-N
-rxn:2:112215:124164,CCC(C(Nc1ccc(CN2CC3(CN(CC)C3)C2)cn1)c1ccc2c(c1)CCC2)N1CCCC1,BHUDDLQOSIBFMJ-UHFFFAOYSA-N
-rxn:2:113144:125295,O=S(=O)(F)CC1CC(NOC23CC4CC(CC(C4)C2)C3)C1,BLCDZWOABCTWKQ-UHFFFAOYSA-N
-rxn:2:113250:135747,CC(CCCCN1CCCSCC1)Nc1ccc(OCC2CC(F)C2)nc1,NYQUPSKYWQCZNX-UHFFFAOYSA-N
-rxn:2:113516:88564,CC12COC3(S(=O)(=O)[O-])C1CCC2(C)C3NC(COC1CCC1)C12CC3CC(CC(C3)C1)C2,UPHHKUDSXZPCFQ-UHFFFAOYSA-M
-rxn:2:113644:142451,CC(=O)c1cncc(C2C(CCSC(C)Nc3c(C)n(C)n(C4CCCCC4)c3=O)C2(F)F)c1,GJVJETFLIAXGQT-UHFFFAOYSA-N
-rxn:2:114156:120015,CCCC(C#CN1CCN(C)CC1)Nc1cccnc1OCCC(C)C,UMAFHTUSHACCRX-UHFFFAOYSA-N
-rxn:2:114156:153087,CCc1c(C)[nH]c2c1C(Nc1cccnc1OCCC(C)C)C(CN1CCOCC1)CC2,RSIGKZNUZSOFMK-UHFFFAOYSA-N
-rxn:2:114642:121533,CCS(=O)(=O)OC[C@H]1CCC(NC2C3CN(C)CC2CN(Cc2ccccn2)C3)C1,IJGLWSOUPSVHLP-WEWRAIFCSA-N
-rxn:2:114875:139843,CCC(Nc1nccnc1OCCN1CCCCC1)c1ccc2c(c1)CCCN2C(C)C,OKYVWXKMHZZJET-UHFFFAOYSA-N
-rxn:2:115637:155181,CCCC1CCN(c2ccc(NC(CC)c3ccc(-c4cnc(N5CCCCC5)nc4)cc3)c(OC)n2)CC1,HLMBRQFFMDSZMS-UHFFFAOYSA-N
-rxn:2:115952:71423,COCC1(C)CCN(c2ccc(NC(C)CCCN3CCN(C4CC4)CC3)cn2)CC1,VMBUKPYKOOJVLL-UHFFFAOYSA-N
-rxn:2:115952:96572,COCC1(C)CCN(c2ccc(NC(C)CCCCN3CCSCC3)cn2)CC1,HESIPTURKJJZLD-UHFFFAOYSA-N
-rxn:2:117225:129213,CCCC(Nc1ccc(OCCN2CCOCC2)nc1)C1CCCN(C(C)C)C1,UGFGLWXCECFJDW-UHFFFAOYSA-N
-rxn:2:117225:141775,CCC(Nc1ccc(OCCN2CCOCC2)nc1)c1ccc(N2CCN(C(C)C)CC2)nc1C,FGURIQRLLMOSMH-UHFFFAOYSA-N
-rxn:2:117225:70037,CCC(Nc1ccc(OCCN2CCOCC2)nc1)C1CCCN(C(C)C)C1,HYVUKIGQHZOMLF-UHFFFAOYSA-N
-rxn:2:117225:87087,CCC(Nc1ccc(OCCN2CCOCC2)nc1)c1cnc(N2CCN(C(C)C)CC2)cc1C,BLAYSVGALYSIPN-UHFFFAOYSA-N
-rxn:2:117273:136680,COS(=O)(=O)c1cccc(NC(C)SCC23CC(=O)CC(CN(C)C2)C3(F)F)c1,XZAVUNMUFWVOHF-UHFFFAOYSA-N
-rxn:2:117288:139138,CC1(C)C2CCC1(CS(=O)(=O)[O-])C(NCC13CCC(CN(C4CC4)C1)C3(F)F)C2,UISZGICMIPQNOD-UHFFFAOYSA-M
-rxn:2:117825:122030,CCOCC1CCCN(c2ncccc2NC(c2ccn(CC3CCC3)n2)C(C)C)C1,CYIXRGNOYTUTAP-UHFFFAOYSA-N
-rxn:2:117825:79723,CCOCC1CCCN(c2ncccc2NC(CC)c2ccc(N3CCN(CC)CC3)nc2C)C1,HFUXPUTVORWVQX-UHFFFAOYSA-N
-rxn:2:117992:139138,CC1(C)C2CCC1(CS(=O)(=O)[O-])C(NC1CC1c1ccc(C3CCCC3)cc1)C2,UHMOHFVJXHKJCV-UHFFFAOYSA-M
-rxn:2:118111:152258,CCC(NCC1(OC)CCN(CC)CC1)c1cccc(-c2cnc(N3CCOCC3)nc2)c1,RDESQLNAJAGZLU-UHFFFAOYSA-N
-rxn:2:118625:126170,CCCC(C(Nc1ccc(N2CCCC(OCC)C2)cn1)c1ccc2c(c1)CCC2)N1CCCC1,KHYDTVBZUSJKCJ-UHFFFAOYSA-N
-rxn:2:118625:171582,CCCC(C(Nc1ccc(N2CCCC(OCC)C2)cn1)c1ccc2c(c1)CCCC2)N1CCCC1,XFTHXOVIYVWTBP-UHFFFAOYSA-N
-rxn:2:118870:157338,CC(=O)c1ccc(C2C(CSC(C)Nc3c(-c4nnc5n4CCCCC5)nn(C)c3C)C2(F)F)s1,YXJXJRXVUCARKH-UHFFFAOYSA-N
-rxn:2:119577:126170,CCCC(C(Nc1cncnc1OC1CCN(CC)C1)c1ccc2c(c1)CCC2)N1CCCC1,KGBIZHAXYZDCIE-UHFFFAOYSA-N
-rxn:2:119577:171582,CCCC(C(Nc1cncnc1OC1CCN(CC)C1)c1ccc2c(c1)CCCC2)N1CCCC1,REALFRBPPVNORG-UHFFFAOYSA-N
-rxn:2:119810:155181,CCC(NCCOC1CCN(CC)CC1)c1ccc(-c2cnc(N3CCCCC3)nc2)cc1,KDBVXHSDGAEMBS-UHFFFAOYSA-N
-rxn:2:120286:126170,CCCC(C(Nc1cc2c(cc1OC)OCCO2)c1ccc2c(c1)CCC2)N1CCCC1,IWIUWAOMEKAMCC-UHFFFAOYSA-N
-rxn:2:120575:126170,CCCC(C(Nc1cncc(OCC2CCCO2)c1)c1ccc2c(c1)CCC2)N1CCCC1,VOGQLTWXUQOGJQ-UHFFFAOYSA-N
-rxn:2:120603:139138,CC(CNC1CC2CCC1(CS(=O)(=O)[O-])C2(C)C)(c1ccccc1)N1CCCCC1,ASZNUMSCUIJSAC-UHFFFAOYSA-M
-rxn:2:120989:91508,CN1CCC(c2cc(NC(CC3CC3)c3ccc(O[Si](C)(C)C(C)(C)C)cc3)n[nH]2)CC1,IBSZRKBVUPGGLH-UHFFFAOYSA-N
-rxn:2:121533:143784,CCC(NC1C2CN(C)CC1CN(Cc1ccccn1)C2)c1ccc2oc(=O)c(=O)n(OCC(C)C)c2c1,AJRBTJOAJBZYTN-UHFFFAOYSA-N
-rxn:2:121533:164467,CCC(NC1C2CN(C)CC1CN(Cc1ccccn1)C2)c1ccc2oc(=O)c(=O)n(OC(C)C)c2c1,ITLVQMJBDNJKKL-UHFFFAOYSA-N
-rxn:2:121756:139138,CC1CCN(CC(NC2CC3CCC2(CS(=O)(=O)[O-])C3(C)C)c2ccccc2)CC1,KTZNEZHVWIUYMO-UHFFFAOYSA-M
-rxn:2:122627:140794,CCS(=O)(=O)CC1(CNC2CC3CN(C)CC(C2)C3(F)F)CC1,KMTFPIRVHWMOQA-UHFFFAOYSA-N
-rxn:2:123036:120275,CCOc1nc(N2CCC(C)(C)CC2)ccc1NC(c1ccc(CN2CCSCC2)cc1)C1CC1,WLQASSNRVNYSIW-UHFFFAOYSA-N
-rxn:2:123036:122663,CCOc1nc(N2CCC(C)(C)CC2)ccc1NC(c1ccc(CN2CCCCC2)cc1)C1CC1,MAMGYNRDXSNKKA-UHFFFAOYSA-N
-rxn:2:123036:160581,CCOc1nc(N2CCC(C)(C)CC2)ccc1NC(C)c1cccnc1-c1cccc(CN2CCCCC2)c1,HWOYLZZZQXDSIO-UHFFFAOYSA-N
-rxn:2:123036:75568,CCOc1nc(N2CCC(C)(C)CC2)ccc1NC(c1ccc2c(c1)OCCO2)C(C)CN(C)C,JLBBKLFYHKWZQM-UHFFFAOYSA-N
-rxn:2:123287:84015,CCSC1C2CCCC1CC(CNC1CC3CC[C@@]1(CS(=O)(=O)[O-])C3(C)C)C2,MBSQPUWIPKNRFD-JHIOLDQKSA-M
-rxn:2:123990:126600,Cc1ccc(C(C)NCCO[Si]23OCCN(CCO2)CCO3)c(OS(=O)(=O)F)c1,GLZAIKRNBWFPEC-UHFFFAOYSA-N
-rxn:2:123990:149251,O=C(c1ccccc1)c1ccc2c(c1)=CC(NCCO[Si]13OCCN(CCO1)CCO3)N=2,SGEXFTMYAMXKAO-UHFFFAOYSA-N
-rxn:2:124164:126170,CCCC(C(Nc1ccc(CN2CC3(CN(CC)C3)C2)cn1)c1ccc2c(c1)CCC2)N1CCCC1,SKKSOVRZACRKJX-UHFFFAOYSA-N
-rxn:2:124164:67403,CCC(Nc1ccc(CN2CC3(CN(CC)C3)C2)cn1)c1cnc(N2CCCC2)cc1C,ZXZBXNNLZFKEDY-UHFFFAOYSA-N
-rxn:2:124684:130197,CCC(Nc1ccc(OCC2(CC)CCC2)nc1)c1ccc(N2CCN(C)CC2)nc1C,UKUIDKPKQSYBPQ-UHFFFAOYSA-N
-rxn:2:124740:139138,COc1ccc(C2CCN(CCNC3CC4CCC3(CS(=O)(=O)[O-])C4(C)C)C2)cc1,PESFSIDMZPJIHU-UHFFFAOYSA-M
-rxn:2:125295:127436,O=S(=O)(F)CC1CC(NCCSCC2C3CC4CC(C3)CC2C4)C1,ZKWXYYGUDVQJKV-UHFFFAOYSA-N
-rxn:2:126293:149645,COCc1cccc(-c2ccc(C(C)Nc3cncnc3OC3CCCC3N(C)C3CC3)c3c2OCO3)c1,YYOWWILNXNBVHP-UHFFFAOYSA-N
-rxn:2:126401:139138,Cc1cccc(C(CN(C)C2CCCCC2)NC2CC3CCC2(CS(=O)(=O)[O-])C3(C)C)c1,BNKLWRHBAHUAAL-UHFFFAOYSA-M
-rxn:2:126906:139138,CC1(C)C2CCC1(CS(=O)(=O)[O-])C(NCCC13CC4(C)C1CCC43C)C2,SWFJHXDWOIGJPG-UHFFFAOYSA-M
-rxn:2:126931:140699,CCCC(CS(=O)(=O)F)NCC(C)(C)C1C2CC3CC1CC(C)(C3)C2,JXGPSZMZXDWEHR-UHFFFAOYSA-N
-rxn:2:127204:153662,CCc1ccc(C(NCCCOS(C)(=O)=O)C23CN4CN(CN(C4)C2)C3)cc1,GCBFPRAOQOHQMB-UHFFFAOYSA-N
-rxn:2:128783:139138,CC1(C)C2CCC1(CS(=O)(=O)[O-])C(NC1c3ccccc3CCC1N1CCCC1)C2,WHOLUGYZSIOSNK-UHFFFAOYSA-M
-rxn:2:128975:139138,CC1(C)C2CCC1(CS(=O)(=O)[O-])C(NCC13COCC(CN(C4CC4)C1)C3(F)F)C2,BJZGEDHAMCRCQM-UHFFFAOYSA-M
-rxn:2:129423:126170,CCCC(C(Nc1cnc(N2CCOCC2)c(OCC)c1)c1ccc2c(c1)CCC2)N1CCCC1,QFYOPROAPLRUFN-UHFFFAOYSA-N
-rxn:2:129423:73038,CCOc1cc(NC(CC)c2cnc(N3CCN(CC)CC3)cc2C)cnc1N1CCOCC1,BUSQJHAECWGTPN-UHFFFAOYSA-N
-rxn:2:130033:87087,CCC(Nc1ccc(OCCN2CCOCC2)cn1)c1cnc(N2CCN(C(C)C)CC2)cc1C,AVOZVHHVPMRMLB-UHFFFAOYSA-N
-rxn:2:130059:137294,CCOCc1cc(N2CCC(NC(CC)c3ccc(N4CCC(F)CC4)cc3)CC2)ncn1,ZTUOVKJBHHMPNW-UHFFFAOYSA-N
-rxn:2:130202:139138,CC(NC1CC2CCC1(CS(=O)(=O)[O-])C2(C)C)C1CC2CC3CC(C2)CC1C3,TVEUPXMFUZAIHJ-UHFFFAOYSA-M
-rxn:2:130348:139138,CC12CN3CN(C1)CC(c1cccs1)(C3)C2NC1CC2CCC1(CS(=O)(=O)[O-])C2(C)C,QZESRYQJAMALAO-UHFFFAOYSA-M
-rxn:2:132463:136378,CN(Cc1ccoc1)C1(CNC2CCN(CCOS(C)(=O)=O)CC2)CN2CCC1CC2,IWQKVBPAYWJUCJ-UHFFFAOYSA-N
-rxn:2:133724:125295,CCC1CC2CN(C)CC(NC3CC(CS(=O)(=O)F)C3)(C1)C2(F)F,DIKOCXVFLANCAD-UHFFFAOYSA-N
-rxn:2:134044:139138,CC1CCN(Cc2cccc(CNC3CC4CCC3(CS(=O)(=O)[O-])C4(C)C)c2)CC1,BYRBQKULRJMLAB-UHFFFAOYSA-M
-rxn:2:134275:74747,CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)[O-])C(NCCOC13CC4CC(CC(C4)C1)C3)C2,YCQNRIYEZLDWLB-SZNSYFAASA-M
-rxn:2:134302:79723,CCOCC1CCN(c2ncccc2NC(CC)c2ccc(N3CCN(CC)CC3)nc2C)C1,JTOCGPUZWDDBBV-UHFFFAOYSA-N
-rxn:2:134675:139138,CC1(C)C2CCC(CCNC3CC4CCC3(CS(=O)(=O)[O-])C4(C)C)C1C2,MQHLUFWIOMMGPV-UHFFFAOYSA-M
-rxn:2:135747:171582,CCCC(C(Nc1ccc(OCC2CC(F)C2)nc1)c1ccc2c(c1)CCCC2)N1CCCC1,KGXFZWUSSSJFOU-UHFFFAOYSA-N
-rxn:2:135789:67412,CCC(C)(CC1C2CC3CC(C2)CC1C3)NC1C[C@H]2CC[C@]1(CS(=O)(=O)F)C2(C)C,VHPMNQCZMQVVEZ-MSYVWFCYSA-N
-rxn:2:136308:139138,CC1(C)C2CCC1(CS(=O)(=O)[O-])C(NCC1(c3ccco3)CS(=O)(=O)C1)C2,MPIVGEXTMXAEBI-UHFFFAOYSA-M
-rxn:2:136378:134771,COc1ccc(NC2CCN(CCOS(C)(=O)=O)CC2)cc1S(=O)(=O)F,APZFXDPOEGALJO-UHFFFAOYSA-N
-rxn:2:136805:86155,CCOCc1cc(N2CCC(NCC3C(c4cnc(OC)nc4OC)C3(F)F)CC2)ncn1,BCTIMVPYGXHEFJ-UHFFFAOYSA-N
-rxn:2:137160:143784,CCC(Nc1cc(OC2C3CC4CC(C3)CC2C4)n[nH]1)c1ccc2oc(=O)c(=O)n(OCC(C)C)c2c1,AUNXXCJQOBFQRF-UHFFFAOYSA-N
-rxn:2:137191:73038,CCC(Nc1ccc(SCCN2CCOCC2)nc1)c1cnc(N2CCN(CC)CC2)cc1C,PVEBUGWIJSFBDP-UHFFFAOYSA-N
-rxn:2:137737:171582,CCCC(C(Nc1ccc(OCC2CC2)nc1)c1ccc2c(c1)CCCC2)N1CCCC1,DVYZJJJAVSCYTI-UHFFFAOYSA-N
-rxn:2:138115:118444,CCS(=O)(=O)OC[C@@H]1CCC(NC(C)CC23CC4CC(C2)CC(N(C)C)(C4)C3)C1,RQYOEWGLWHINGK-KIOWUQBGSA-N
-rxn:2:138258:126170,CCCC(C(Nc1ccc2c(n1)CCN(CC)C2)c1ccc2c(c1)CCC2)N1CCCC1,ITGQVBRTWSUCLQ-UHFFFAOYSA-N
-rxn:2:138258:171582,CCCC(C(Nc1ccc2c(n1)CCN(CC)C2)c1ccc2c(c1)CCCC2)N1CCCC1,QLYAMYIOASMLDM-UHFFFAOYSA-N
-rxn:2:138443:153662,CCc1ccc(C(Nc2cn(C)c(=O)n(CCCOC)c2=O)C23CN4CN(CN(C4)C2)C3)cc1,BYHYQWGTOWIYKX-UHFFFAOYSA-N
-rxn:2:138575:126170,CCCC(C(Nc1cncnc1OC1CCCN(CC)C1)c1ccc2c(c1)CCC2)N1CCCC1,USUBVAFRQDLCPQ-UHFFFAOYSA-N
-rxn:2:138759:170767,CCN1CCC(COc2ncc(NC(c3ccccn3)c3cc(C(C)C)cc4c3OCCCC4)cn2)CC1,JXXDMTSYSRKLTJ-UHFFFAOYSA-N
-rxn:2:139310:139138,CC1(C)C2CCC1(CS(=O)(=O)[O-])C(NCC1CC(OS(C)(=O)=O)C1)C2,JKYQCJHDFBJYSR-UHFFFAOYSA-M
-rxn:2:139479:88564,CC(C)(CNC1C2(C)CCC3C2(C)COC31S(=O)(=O)[O-])C1CCC(F)(F)CC1,CTJTWYGDVNECBR-UHFFFAOYSA-M
-rxn:2:141251:139138,CC1(C)C2CCC1(CS(=O)(=O)[O-])C(NCCN1CC3C4CCC(O4)C3C1)C2,ZWKNBLVHQQBYAC-UHFFFAOYSA-M
-rxn:2:141664:139138,CC1CCN(Cc2ccc(C#CCNC3CC4CCC3(CS(=O)(=O)[O-])C4(C)C)cc2)CC1,JZVZCZPZHQEQJL-UHFFFAOYSA-M
-rxn:2:141894:143973,COc1cccc(C(CNC2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)N2CCN(C)CC2)c1,MMIUGRKYCQVUPQ-UHFFFAOYSA-N
-rxn:2:141914:126600,Cc1ccc(C(C)Nc2cn(C34CC5CC(CC(C5)C3)C4)nc2C)c(OS(=O)(=O)F)c1,BBFLHDQCZKVRPT-UHFFFAOYSA-N
-rxn:2:142268:140360,CO[Si](CNC(C#CN1CCOCC1)c1ccc2c(c1)OCO2)(OC)OC,OQRYQQAEZDFPTR-UHFFFAOYSA-N
-rxn:2:142446:144460,CCC(NC1(c2nc(-c3nncn3CC)c[nH]2)CCC1)c1cccc(C2C(CSC(C)=O)C2(F)F)c1,MMPQQJYVAMQIMO-UHFFFAOYSA-N
-rxn:2:148092:126170,CCCC(C(Nc1cn(-c2ccncc2OC)nc1C1CCC1)c1ccc2c(c1)CCC2)N1CCCC1,BPGPXDJTOVBGOA-UHFFFAOYSA-N
-rxn:2:148135:115389,CCOc1ccncc1-n1nc(C2CC2)cc1NC(c1ccc2c(c1)CCCC2)C(CC)N1CCCC1,YYSRJFDLFPHFNR-UHFFFAOYSA-N
-rxn:2:149892:131513,CC(CN1CCN(C)CC1)C(NC(C)(C)CN(C)Cc1ccc2oc(=O)[nH]c2c1)c1ccccc1,UPLNFOWYGZCPEB-UHFFFAOYSA-N
-rxn:2:150141:171582,CCCC(C(Nc1snnc1COc1ccc2c(c1)CCC2)c1ccc2c(c1)CCCC2)N1CCCC1,CBDKCFJVIIGVMG-UHFFFAOYSA-N
-rxn:2:153087:168382,CCc1c(C)[nH]c2c1C(Nc1cc(C(F)(F)c3nnn[nH]3)ccc1OC)C(CN1CCOCC1)CC2,QXICCBYMGVNYSM-UHFFFAOYSA-N
-rxn:2:153662:156863,CCc1ccc(C(NC(C)(C)C(c2ccc3[nH]c(=O)[nH]c3c2)N(C)C)C23CN4CN(CN(C4)C2)C3)cc1,LPGIMLRECZKNIC-UHFFFAOYSA-N
-rxn:2:154757:142505,CC(=O)c1ccc(C2C(CCSC(C)Nc3c(C)c(C4(C)CC4)nn3-c3cnccc3C)C2(F)F)nc1,KGKXOEPENGDGCR-UHFFFAOYSA-N
-rxn:2:156863:92442,COc1ccc(C(NC(C)(C)C(c2ccc3[nH]c(=O)[nH]c3c2)N(C)C)C(C)C)cc1N1CCOCC1,SZOOLHUBOGBBOV-UHFFFAOYSA-N
-rxn:2:157582:126170,CCCC(C(Nc1ccc2[nH]c3c(c2c1)CN(CC)CC3)c1ccc2c(c1)CCC2)N1CCCC1,IOYCJBYRRNPHRC-UHFFFAOYSA-N
-rxn:2:157582:171582,CCCC(C(Nc1ccc2[nH]c3c(c2c1)CN(CC)CC3)c1ccc2c(c1)CCCC2)N1CCCC1,QRKXPLZURVCOPZ-UHFFFAOYSA-N
-rxn:2:66440:88564,CC12COC3(S(=O)(=O)[O-])C1CCC2(C)C3NC1CC2CCCC(C1)C2(F)F,FQVUDXGHJDGOLI-UHFFFAOYSA-M
-rxn:2:66620:74747,CC(C)(CNC1C[C@H]2CC[C@]1(CS(=O)(=O)[O-])C2(C)C)SC1C2CC3CC(C2)CC1C3,JSVPUKCVXDYHDU-WOGYEZGQSA-M
-rxn:2:66620:85115,CCS(=O)(=O)OCC1CCC(NCC(C)(C)SC2C3CC4CC(C3)CC2C4)C1,AZYORNADWVZKGQ-UHFFFAOYSA-N
-rxn:2:66678:112215,CCC(C(Nc1nccnc1OCCN1CCOCC1)c1ccc2c(c1)CCC2)N1CCCC1,DRLNCVFCZZMESF-UHFFFAOYSA-N
-rxn:2:66678:79723,CCC(Nc1nccnc1OCCN1CCOCC1)c1ccc(N2CCN(CC)CC2)nc1C,ARWJDIUOXYFQPO-UHFFFAOYSA-N
-rxn:2:66678:94031,CCC(Nc1nccnc1OCCN1CCOCC1)c1ccc(OC(=O)C(C)(C)C)cc1,AGKLXWQRHXHZLB-UHFFFAOYSA-N
-rxn:2:66724:126170,CCCC(C(Nc1cnccc1OC1CCN(C(C)C)CC1)c1ccc2c(c1)CCC2)N1CCCC1,XIZGFYYNBUFECE-UHFFFAOYSA-N
-rxn:2:66724:171582,CCCC(C(Nc1cnccc1OC1CCN(C(C)C)CC1)c1ccc2c(c1)CCCC2)N1CCCC1,WVTMAALKHUZZJF-UHFFFAOYSA-N
-rxn:2:66994:115389,CCOCC1CCCCN1c1ncccc1NC(c1ccc2c(c1)CCCC2)C(CC)N1CCCC1,ODUUCHAHUZSMPI-UHFFFAOYSA-N
-rxn:2:67072:73038,CCC(Nc1cnn(CCOC2CCC2)c1)c1cnc(N2CCN(CC)CC2)cc1C,LQWIPAJBPGOUMD-UHFFFAOYSA-N
-rxn:2:67388:139138,CC(CNC1CC2CCC1(CS(=O)(=O)[O-])C2(C)C)c1ccc(C2CCCN(C)C2)cc1,LHDSTEIICPWJGI-UHFFFAOYSA-M
-rxn:2:67616:126600,Cc1ccc(C(C)NCC2(N3CCCC3)CC3CCC(C2)N3C)c(OS(=O)(=O)F)c1,KPQHKZPIIMQNHQ-UHFFFAOYSA-N
-rxn:2:68051:168480,CO[C@@H]1CC2CC(Nc3ccc(S(=O)(=O)N=S(C)(C)=O)cc3)CC1N2C,IZYVFYHVAFNXJR-UJCFSERGSA-N
-rxn:2:68310:117362,CCOS(=O)(=O)C[C@]12CCC(CC1NCC(c1ccsc1)N1CCN(C)CC1)C2(C)C,OPTQNTNXPVZHMY-VLTFCKIESA-N
-rxn:2:68813:141610,CON(C)C(CNC(C)c1ccc(S(=O)(=O)[O-])cc1)C12CC3CC(CC(C3)C1)C2,BGDICRKDIQVLAO-UHFFFAOYSA-M
-rxn:2:68813:85115,CCS(=O)(=O)OCC1CCC(NCC(N(C)OC)C23CC4CC(CC(C4)C2)C3)C1,CPRWOAXLFUIVOZ-UHFFFAOYSA-N
-rxn:2:68863:149822,CCC(NC1(c2ncnn2C)CCN(C)CC1)c1ccc(C2C(CSC(C)=O)C2(F)F)cc1,DWOFYTQFMBXVOY-UHFFFAOYSA-N
-rxn:2:69000:149822,CCC(NC(C)(c1nnn[nH]1)C1CCCC1)c1ccc(C2C(CSC(C)=O)C2(F)F)cc1,KIDQRABOTJVFIZ-UHFFFAOYSA-N
-rxn:2:69438:114262,COCS(=O)(=O)c1ccc(C(C)NC23CC(N4CCN(C)CC4)(C2)C3)cc1,VJDBMRXAUAEMCG-UHFFFAOYSA-N
-rxn:2:69465:112215,CCC(C(Nc1cncnc1OC1CCN(CC)CC1)c1ccc2c(c1)CCC2)N1CCCC1,CADRBXQTHSTUNW-UHFFFAOYSA-N
-rxn:2:69465:126170,CCCC(C(Nc1cncnc1OC1CCN(CC)CC1)c1ccc2c(c1)CCC2)N1CCCC1,MESGNANEBMNILI-UHFFFAOYSA-N
-rxn:2:69465:171582,CCCC(C(Nc1cncnc1OC1CCN(CC)CC1)c1ccc2c(c1)CCCC2)N1CCCC1,BXDFQIROALOWOF-UHFFFAOYSA-N
-rxn:2:69566:116885,CCOS(=O)(=O)C[C@@]12CC[C@@H](CC1NCC1(N(C)C)CN3CCC1CC3)C2(C)C,HRRSVIHYNRATEP-UMDHHFKGSA-N
-rxn:2:69566:117362,CCOS(=O)(=O)C[C@]12CCC(CC1NCC1(N(C)C)CN3CCC1CC3)C2(C)C,HRRSVIHYNRATEP-QXXBNALYSA-N
-rxn:2:69566:122080,CC(CCS(=O)(=O)F)NCC1(N(C)C)CN2CCC1CC2,HVECQLIKXFVXCP-UHFFFAOYSA-N
-rxn:2:69566:166005,CN(C)C1(CNC2CCN(c3cccc(S(C)(=O)=O)c3)CC2)CN2CCC1CC2,KHGWVNWHUJWYGK-UHFFFAOYSA-N
-rxn:2:69566:91416,CN(C)C1(CNC2CC3CCC2(CS(=O)(=O)F)C3(C)C)CN2CCC1CC2,GIGKDAWDLILYAT-UHFFFAOYSA-N
-rxn:2:70313:74747,CC1(C)C2CCC1(C)C(CCNC1C[C@H]3CC[C@]1(CS(=O)(=O)[O-])C3(C)C)C2,JENDSVYCPRZRNJ-GFFVPOTJSA-M
-rxn:2:70339:139138,CC1(C)C2CCC1(CS(=O)(=O)[O-])C(N[C@@H]1CC[C@H](CS(=O)(=O)c3ccccc3)C1)C2,LJVOINJUEZPLRO-FXEZRIMKSA-M
-rxn:2:70445:139138,COc1ccccc1C1(CNC2CC3CCC2(CS(=O)(=O)[O-])C3(C)C)CCC1,ULBWLUMOSVQIAM-UHFFFAOYSA-M
-rxn:2:70683:104764,COCc1cc(OS(=O)(=O)F)ccc1NC1CC2CCC(C1)N2CCN1CCCCC1,NJOFSTWCJORECW-UHFFFAOYSA-N
-rxn:2:70683:153662,CCc1ccc(C(Nc2ccc(OS(=O)(=O)F)cc2COC)C23CN4CN(CN(C4)C2)C3)cc1,JXHVQMQRTWDIBF-UHFFFAOYSA-N
-rxn:2:70685:127436,O=S(=O)(F)C1CC(NCCSCC2C3CC4CC(C3)CC2C4)C1,VNAJTJPQCCKBCG-UHFFFAOYSA-N
-rxn:2:71442:105790,CC(NCC(C)(C1C2CC3CC(C2)CC1C3)N(C)C)c1ccc(S(=O)(=O)F)cc1,MIGQCODBVSVMMN-UHFFFAOYSA-N
-rxn:2:71510:96512,O=S(=O)(CCNC1CC2C(C1)C1CN(C3CC3)CC2C1(F)F)c1cccs1,FWTMFHJOHIQQID-UHFFFAOYSA-N
-rxn:2:71576:155396,CC(=O)c1ccc(C2C(CSC(C)NCC(C)(C)N(C)C3CCC3)C2(F)F)nc1,GJBKEROWOIDMKA-UHFFFAOYSA-N
-rxn:2:71594:139138,CN(C)C1(CNC2CC3CCC2(CS(=O)(=O)[O-])C3(C)C)CCN(Cc2ccccc2)CC1,SVNOOMXNLXSDSD-UHFFFAOYSA-M
-rxn:2:72145:139138,CC1CCN(Cc2ccccc2CNC2CC3CCC2(CS(=O)(=O)[O-])C3(C)C)CC1,WSRCEGQIPWBHNV-UHFFFAOYSA-M
-rxn:2:72284:126170,CCCC(C(Nc1cccnc1OCC1(C)CCC1)c1ccc2c(c1)CCC2)N1CCCC1,MEZOXWLBFWOFGE-UHFFFAOYSA-N
-rxn:2:72284:79723,CCC(Nc1cccnc1OCC1(C)CCC1)c1ccc(N2CCN(CC)CC2)nc1C,WMVZZKBMWWUMFZ-UHFFFAOYSA-N
-rxn:2:73038:124684,CCC(Nc1ccc(OCC2(CC)CCC2)nc1)c1cnc(N2CCN(CC)CC2)cc1C,BXLVUCKKUWGVPN-UHFFFAOYSA-N
-rxn:2:73038:72284,CCC(Nc1cccnc1OCC1(C)CCC1)c1cnc(N2CCN(CC)CC2)cc1C,ZDHIFQNLYWLDEA-UHFFFAOYSA-N
-rxn:2:73080:136378,COc1ccc(NC2CCN(CCOS(C)(=O)=O)CC2)cc1OS(=O)(=O)F,SAAZBJBYKRHKHV-UHFFFAOYSA-N
-rxn:2:73225:99502,CN1CC2CC(C)(C)CC(CNC3CC(CS(=O)(=O)c4ccccc4)C3)(C1)C2(F)F,VYTKACONILZOOL-UHFFFAOYSA-N
-rxn:2:73306:71115,CN(C)C1CCC(NCC2CC(CC(C)(C)C)C2)CC1,OQKGTQGBEBZLBG-UHFFFAOYSA-N
-rxn:2:74571:115389,CCC(C(Nc1ccccc1OCCN1CCCCC1)c1ccc2c(c1)CCCC2)N1CCCC1,SNAHNPXBGZIVJC-UHFFFAOYSA-N
-rxn:2:74747:113144,CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)[O-])C(NOC13CC4CC(CC(C4)C1)C3)C2,YQWAXKQLYLFSNN-JJVWSAESSA-M
-rxn:2:74747:120312,COCC(ONC1C[C@H]2CC[C@]1(CS(=O)(=O)[O-])C2(C)C)C1C2CC3CC(C2)CC1C3,VYYHFYSLFWJRDO-MSOOHXCUSA-M
-rxn:2:74747:139310,CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)[O-])C(NCC1CC(OS(C)(=O)=O)C1)C2,JKYQCJHDFBJYSR-JVVFDMMPSA-M
-rxn:2:75130:141711,CCOCC1CCN(c2ncccc2NC(CC)c2cnc(N3CCN(CC)CC3)c(C)c2)CC1,LHVKIXKKSPRALM-UHFFFAOYSA-N
-rxn:2:75173:84015,CC1(C)C2CC[C@]1(CS(=O)(=O)[O-])C(NC1(c3cccc(C4CCOCOC4)c3)CC1)C2,YOCDJLGYJCOZCJ-IDDCVJCYSA-M
-rxn:2:75921:73038,CCC(NCC(C)(C)CSc1ccc2c(c1)CCCC2)c1cnc(N2CCN(CC)CC2)cc1C,WUQYKZNBIZUPMM-UHFFFAOYSA-N
-rxn:2:76040:117066,COC1C2CC1CN(CCCNC(C)c1ccc(OS(=O)(=O)[O-])cc1)C2,WIMPCXJGQYZKNU-UHFFFAOYSA-M
-rxn:2:76214:144237,CC(=O)c1cncc(C2C(CSC(C)Nc3cnc(N4CCCCC4)nc3N(C)C)C2(F)F)c1,NRKVTUDQPZFAKH-UHFFFAOYSA-N
-rxn:2:76295:88564,CC(NC1C2(C)CCC3C2(C)COC31S(=O)(=O)[O-])C12CC3CC(CC(C)(C3)C1)C2,FQMOVLACRRBIBN-UHFFFAOYSA-M
-rxn:2:76519:142451,CC(=O)c1cncc(C2C(CCSC(C)NC3(C)CN(C)CCN(C)C3)C2(F)F)c1,KTOCFAUJDYSKOE-UHFFFAOYSA-N
-rxn:2:76729:83490,CCCC(C(Nc1cnc(N2CCCC2)cc1OC)c1ccc2c(c1)CCO2)N1CCCC1,REOHQEOQYMLKSN-UHFFFAOYSA-N
-rxn:2:77038:88556,CC[C@]1(O[Si](C)(C)C(C)(C)C)C[C@H](NC(c2ccc[nH]2)C2CCC2)C1,QUKLMMDUCXWWEA-MXRACREMSA-N
-rxn:2:77052:126170,CCCC(C(Nc1cnccc1OC1CCN(CC)CC1)c1ccc2c(c1)CCC2)N1CCCC1,BCYAUMGHYPAQIE-UHFFFAOYSA-N
-rxn:2:77052:171582,CCCC(C(Nc1cnccc1OC1CCN(CC)CC1)c1ccc2c(c1)CCCC2)N1CCCC1,SZNMNECSIQCCDF-UHFFFAOYSA-N
-rxn:2:77438:148368,CC(CCCO[Si](C)(C)C(C)(C)C)Nc1cc(-c2cccc(N3CCOCC3)c2)[nH]n1,MCQBAEMNVQTFLD-UHFFFAOYSA-N
-rxn:2:77448:126170,CCCC(C(NC1(CC)CCN(c2ccncc2)C1)c1ccc2c(c1)CCC2)N1CCCC1,OYKJJYUZDRASEE-UHFFFAOYSA-N
-rxn:2:77613:80088,COCC(NC(CC1=NCCO1)c1ccc2c(c1)OCO2)c1ccc2c(c1)CCC(C)(C)O2,GRNQWJXFZVIEAG-UHFFFAOYSA-N
-rxn:2:77649:100260,CCC(Nc1cccnc1OCC1CCN(C)C1)C(c1ccc2c(c1)OCCO2)C(C)C,GUWOOXPJASLUSE-UHFFFAOYSA-N
-rxn:2:77649:171582,CCCC(C(Nc1cccnc1OCC1CCN(C)C1)c1ccc2c(c1)CCCC2)N1CCCC1,OWDCNDBUIQNFQP-UHFFFAOYSA-N
-rxn:2:77662:140255,CCS(=O)(=O)C1C2CCC1CC(CNCC(OC)C1CC(F)(F)C1)C2,NDLMXSYKHPALGR-UHFFFAOYSA-N
-rxn:2:77662:83822,CCS(=O)(=O)C1C2CCCC1CC(CNCC(OC)C1CC(F)(F)C1)C2,LLHPMJZNHAZKEV-UHFFFAOYSA-N
-rxn:2:78219:114270,CCC(Nc1cccnc1OCCN1CCOCC1)C1CCN(CC(C)C)CC1,NURBTSOKTBCMCX-UHFFFAOYSA-N
-rxn:2:78456:126600,Cc1ccc(C(C)NCCN2C3CCC2CN(C)C3)c(OS(=O)(=O)F)c1,HANRDNRYPSONLR-UHFFFAOYSA-N
-rxn:2:78713:139138,COc1ccccc1CC1(CNC2CC3CCC2(CS(=O)(=O)[O-])C3(C)C)COC1,NNQWJXXTVPDTEG-UHFFFAOYSA-M
-rxn:2:79107:143385,COCc1cc(N2CCC(Nc3ccc(N4CCC(N(C)C)CC4)cc3C)CC2)nc(-c2ccncc2)n1,HWPBDMFJGQTNBP-UHFFFAOYSA-N
-rxn:2:79361:99521,C=C=CC(NCC12CC(S(C)(=O)=O)(CO1)C2)c1ccc(OC)c(OC)c1,SJCRJNMIYAFGLG-UHFFFAOYSA-N
-rxn:2:79673:139138,CN1CCC(C)(Oc2ccc(CNC3CC4CCC3(CS(=O)(=O)[O-])C4(C)C)cc2)CC1,OKPNOFPJNSOBBK-UHFFFAOYSA-M
-rxn:2:79723:124684,CCC(Nc1ccc(OCC2(CC)CCC2)nc1)c1ccc(N2CCN(CC)CC2)nc1C,BWOJMYPOKACTKH-UHFFFAOYSA-N
-rxn:2:79723:92331,CCC(Nc1cc2c3c(c1)CCCN3CCC2)c1ccc(N2CCN(CC)CC2)nc1C,SGMWVJPVJSBKEK-UHFFFAOYSA-N
-rxn:2:79800:110690,CS(C)(=O)=NS(=O)(=O)CCNC1CC2C3CCC(C3)C12,QGWKCFGQLKARQT-UHFFFAOYSA-N
-rxn:2:79800:123400,CS(C)(=O)=NS(=O)(=O)CCNC1CC2CC3CC(C2)CC1C3,VBLOPKSUPDTHJM-UHFFFAOYSA-N
-rxn:2:79906:126170,CCCC(C(Nc1ccc(OC2CCN(CC)CC2)nc1)c1ccc2c(c1)CCC2)N1CCCC1,MRYOETXKMAYWMB-UHFFFAOYSA-N
-rxn:2:79906:171582,CCCC(C(Nc1ccc(OC2CCN(CC)CC2)nc1)c1ccc2c(c1)CCCC2)N1CCCC1,CUIOCHXRDOMFBZ-UHFFFAOYSA-N
-rxn:2:79972:139138,CCC(CNC1CC2CCC1(CS(=O)(=O)[O-])C2(C)C)c1ccc(C2CCN(C)CC2)cc1,NIWYXCIOGFFHTC-UHFFFAOYSA-M
-rxn:2:80030:112215,CCC(C(Nc1ccc(OCC2(CC)CCCC2)nc1)c1ccc2c(c1)CCC2)N1CCCC1,RAYAGFUWJXADGE-UHFFFAOYSA-N
-rxn:2:80091:93074,CCS(=O)(=O)c1ccc(C(C)NCC23CN(C)CC(CN(C4CC4)C2)C3(F)F)cc1,WTHOUGGSVLKHHI-UHFFFAOYSA-N
-rxn:2:80150:114642,CCS(=O)(=O)OC[C@H]1CCC(NCCc2ccccc2OC2CN3CCC2CC3)C1,IKKPNPZFMWCVHY-RHKCVOJBSA-N
-rxn:2:80172:126170,CCCC(C(Nc1cnn(COC2CCCCC2)c1)c1ccc2c(c1)CCC2)N1CCCC1,AUASOQSZTHDRCZ-UHFFFAOYSA-N
-rxn:2:81051:73038,CCC(Nc1ccc(N2CCC(C)CC2)nc1OC)c1cnc(N2CCN(CC)CC2)cc1C,NRRSONIGYWOAAD-UHFFFAOYSA-N
-rxn:2:82081:144460,CCC(NC1(c2noc(C(C)C)n2)CCN(C)CC1)c1cccc(C2C(CSC(C)=O)C2(F)F)c1,VMMWQRDZMJBTOC-UHFFFAOYSA-N
-rxn:2:82903:155396,CC(=O)c1ccc(C2C(CSC(C)Nc3c(C)c(CC4(C)CC4)nn3C)C2(F)F)nc1,OKDMTGOQIFTOFW-UHFFFAOYSA-N
-rxn:2:83448:117362,CCOS(=O)(=O)C[C@]12CCC(CC1NCC(N(C)C)C13CCC(CC1)C3)C2(C)C,WTXUSMPQWLQMFF-GXUMUYLRSA-N
-rxn:2:83822:125415,CCS(=O)(=O)C1C2CCCC1CC(CNC1CC3(C)C4CN(C)CC(C4(F)F)C3(C)C1)C2,FDGHCVSTPAKQRQ-UHFFFAOYSA-N
-rxn:2:83871:149822,CCC(NC1(C)CCN(Cc2nnc[nH]2)C1)c1ccc(C2C(CSC(C)=O)C2(F)F)cc1,PWCLSANNVAOSHZ-UHFFFAOYSA-N
-rxn:2:84015:103580,CC1(C)C2CC[C@]1(CS(=O)(=O)[O-])C(NCC(F)(F)CN1CC3CC1CS3)C2,YSRHIYZHIZAHLW-SYRUZEPSSA-M
-rxn:2:84015:105965,CC1(C)C2CC[C@]1(CS(=O)(=O)[O-])C(NOCC1C3CC4CC(C3)CC1C4)C2,KBEFWNNEEAVHDS-MGRMUMLGSA-M
-rxn:2:84015:118307,COCC(C)(NC1CC2CC[C@@]1(CS(=O)(=O)[O-])C2(C)C)C12CC3CC(CC(C3)C1)C2,ZKCYMWNSNXQRIS-QTCVMZAOSA-M
-rxn:2:84015:120312,COCC(ONC1CC2CC[C@@]1(CS(=O)(=O)[O-])C2(C)C)C1C2CC3CC(C2)CC1C3,VYYHFYSLFWJRDO-ZMKGXKRHSA-M
-rxn:2:84015:122640,CC1(C)C2CC[C@]1(CS(=O)(=O)[O-])C(NCC1(S(=O)(=O)c3ccccc3)CCC1)C2,LHBREQIJPLNIBO-IAYYMHMVSA-M
-rxn:2:84015:127436,CC1(C)C2CC[C@]1(CS(=O)(=O)[O-])C(NCCSCC1C3CC4CC(C3)CC1C4)C2,SEFQAJZMUWHZHR-WYTWMPHRSA-M
-rxn:2:84015:130221,CC1(C)C2CC[C@]1(CS(=O)(=O)[O-])C(NCCCOC13CC4CC(CC(C4)C1)C3)C2,OTUOPWDXGYYFTG-LNHYMDRVSA-M
-rxn:2:84015:84722,CC(C)(CCNC1CC2CC[C@@]1(CS(=O)(=O)[O-])C2(C)C)OC12CC3CC(CC(C3)C1)C2,IMKIZZIHOPOETK-IGJANWQHSA-M
-rxn:2:84044:73038,CCC(Nc1ccc(N2CCCC2)nc1OC)c1cnc(N2CCN(CC)CC2)cc1C,ZDTSDBTZSPEUFF-UHFFFAOYSA-N
-rxn:2:84242:139138,CC(NC1CC2CCC1(CS(=O)(=O)[O-])C2(C)C)c1ccc(CN2CCN(C)CC2)cc1,HOEKKXQKGLEFTD-UHFFFAOYSA-M
-rxn:2:84530:97636,CCOS(=O)(=O)C[C@]12CC[C@@H](CC1NC13CCC(CN(C)C)(CC1)CC3)C2(C)C,CXOGIHHOVZYZHI-SFYUTTBMSA-N
-rxn:2:84556:88564,CC12COC3(S(=O)(=O)[O-])C1CCC2(C)C3NCC1CC2CCC(C1)S2,VFFGTMCGJIQSBS-UHFFFAOYSA-M
-rxn:2:84594:100600,CN(C)C(c1ccc[nH]1)C1(NC2CCC(N(C)C(C)(C)C)CC2)CC1,LZVUXZLRRMNASH-UHFFFAOYSA-N
-rxn:2:84594:118868,CN(C1CCC(NC2C3CCCCCC32)CC1)C(C)(C)C,OFFUZXQIAZQCGJ-UHFFFAOYSA-N
-rxn:2:84895:139138,CC1(C)C2CCC1(CS(=O)(=O)[O-])C(NOCC1CC3CCC1C3)C2,YGQHQZFAMORGSH-UHFFFAOYSA-M
-rxn:2:84946:159916,COc1ccc(C(NCc2ccc(OS(=O)(=O)F)cc2)C23CN4CN(CN(C4)C2)C3)cc1,UHESIEXRDQYXAJ-UHFFFAOYSA-N
-rxn:2:85076:117066,CC(NCC1CC2CCC1C1CN(C)CC21)c1ccc(OS(=O)(=O)[O-])cc1,ZJTDQBBCGQROKP-UHFFFAOYSA-M
-rxn:2:85213:74747,CC(CNC1C[C@H]2CC[C@]1(CS(=O)(=O)[O-])C2(C)C)OC12CC3CC(CC(C3)C1)C2,AFYVYDGOXROAHV-RMEOFUPJSA-M
-rxn:2:85213:85115,CCS(=O)(=O)OCC1CCC(NCC(C)OC23CC4CC(CC(C4)C2)C3)C1,RKZDPWNNLOOSEF-UHFFFAOYSA-N
-rxn:2:85442:139138,CC1(C)C2CCC1(CS(=O)(=O)[O-])C(NOCc1ccc(S(C)(=O)=O)cc1)C2,IGGHCBFYNKJLEE-UHFFFAOYSA-M
-rxn:2:85500:117066,CC(NCC1CCC2CC1CN2CCN(C)C)c1ccc(OS(=O)(=O)[O-])cc1,AXUAICLHQDMBKY-UHFFFAOYSA-M
-rxn:2:85500:141610,CC(NCC1CCC2CC1CN2CCN(C)C)c1ccc(S(=O)(=O)[O-])cc1,DSLRLCAVENIXMP-UHFFFAOYSA-M
-rxn:2:85543:83651,CN(CC1CCCC1NCC1CC(N(C)C)C1)CC(C)(C)C,MQSKPTUZKNAHKB-UHFFFAOYSA-N
-rxn:2:86047:83876,CC1(C)Cc2c(cnn2C2COC2)C(N[C@@H](c2ccc(O[Si](C)(C)C)cc2)C2CC2)C1,PYAWFUSGBPUTEM-SYIFMXBLSA-N
-rxn:2:86106:115389,CCC(C(Nc1cnccc1OCCN1CCOCC1)c1ccc2c(c1)CCCC2)N1CCCC1,UTXNISGZPLDCSI-UHFFFAOYSA-N
-rxn:2:86439:135212,CS(=O)(=O)c1ccc(C2CC2CCNC2CC3CCC(C2)N3C2CC2)cc1,CSMKXAHWQZGPFN-UHFFFAOYSA-N
-rxn:2:87087:117225,CCC(Nc1ccc(OCCN2CCOCC2)nc1)c1cnc(N2CCN(C(C)C)CC2)cc1C,BLAYSVGALYSIPN-UHFFFAOYSA-N
-rxn:2:87625:153662,CCc1ccc(C(NCCN=S(C)(C)=O)C23CN4CN(CN(C4)C2)C3)cc1,KYGPRQNQDNVTPN-UHFFFAOYSA-N
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-rxn:2:87835:126170,CCCC(C(Nc1cnc(OCC2CC2)cc1C)c1ccc2c(c1)CCC2)N1CCCC1,JBMWZYCOJHZWFU-UHFFFAOYSA-N
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-rxn:2:114613:159432,COc1cccc(OC(C)Nc2cnc(N(C)[C@@H]3COC[C@H]3F)nc2)c1C(=O)C1(C)CC1,CSCGCUONGVGRAB-VNCLPFQGSA-N
-rxn:2:114615:139138,CCN(c1cccc(C)c1)C1CCC(NC2CC3CCC2(CS(=O)(=O)[O-])C3(C)C)CC1,FANRFPAFMJBYPK-UHFFFAOYSA-M
-rxn:2:114717:115972,CC1(C)[C@@H]2CC[C@]1(CS(=O)(=O)F)C(NC1C(=O)SC13CCC3)C2,SHSRRSWEEAALPU-FLRBZUCHSA-N
-rxn:2:114770:140873,CCCC(NC1CCN(c2ccccc2COC)CC1)C1CCCCN1C1CCC1,XQAFICYHHAAAKU-UHFFFAOYSA-N
-rxn:2:114951:143818,COC1CCOC2(CCCN(CCCNC(C)CC(c3ccc4[nH]c(=O)[nH]c4c3)N(C)C)C2)C1,ROZPNRUOEQXYCU-UHFFFAOYSA-N
-rxn:2:115952:108341,CCCCC[C@H]1CC[C@H](C2CCC(Nc3ccc(N4CCC(C)(COC)CC4)nc3)CC2)CC1,JYCBPPSTGFNJSA-UJLKWHDZSA-N
-rxn:2:115952:78919,CCCC[C@H]1CC[C@H](C2CCC(Nc3ccc(N4CCC(C)(COC)CC4)nc3)CC2)CC1,BFKWPKJBJJLFBS-DCVMKPNVSA-N
-rxn:2:116204:143818,CC(CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)NCC1(N2CCCCC2)CCOCC1,BHVKXEUSSUFCQA-UHFFFAOYSA-N
-rxn:2:116313:147968,CCCCC(/N=c1\ncc2c([nH]1)CC(C)(C)CC2=O)NC1CCC(N(C)OCC)CC1,RDOTXEBXHQVXES-UHFFFAOYSA-N
-rxn:2:116534:120784,CCOCC1CCN(c2ccccc2NC2CC3(CCC(C)(C)CC3)C2)CC1,QSUKXTYZBBODJS-UHFFFAOYSA-N
-rxn:2:117066:128682,CC(NCc1cn(C23CC4CC(CC(C4)C2)C3)[nH]c1=O)c1ccc(OS(=O)(=O)[O-])cc1,JTQJVJLJINXJNV-UHFFFAOYSA-M
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-rxn:2:117259:168561,CC1CCCC(CNC(C#CN2CCCCC2)c2ccc3[nH]c(=O)[nH]c3c2)(N(C)Cc2ncccn2)C1,GSSDBWGTRQTLHA-UHFFFAOYSA-N
-rxn:2:117798:73038,CCC(Nc1cccnc1OCC1CCOCC1)c1cnc(N2CCN(CC)CC2)cc1C,IBKHNDQULVWKPH-UHFFFAOYSA-N
-rxn:2:117825:105145,CCOCC1CCCN(c2ncccc2NC(CC)c2ccc(N3CCC4(CC3)CC4)cc2)C1,UBJFQPCUTSBYOF-UHFFFAOYSA-N
-rxn:2:117825:75013,CCOCC1CCCN(c2ncccc2NC(C)c2cccc(C34CCN(C)CC3C4)c2)C1,AZALJWOYLXOVDB-UHFFFAOYSA-N
-rxn:2:118260:139138,C[C@H](c1ccccc1)N1C[C@H](NC2CC3CCC2(CS(=O)(=O)[O-])C3(C)C)C2(CC2)C1,YZFBUUPHMGBCGA-MKLAWZIZSA-M
-rxn:2:118738:143973,CC1C(NC2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)CC2CC1C2(C)C,JHPZXEHBZCKECJ-UHFFFAOYSA-N
-rxn:2:119462:139138,CC1(C)C2CCC1(CS(=O)(=O)[O-])C(N[C@H]1C[C@@H]3OCC[C@H]13)C2,INSQJPPMVXFPNR-RJJAFJBHSA-M
-rxn:2:119511:159432,COc1cccc(OC(C)Nc2nccc(N(C)[C@@H]3COC[C@H]3F)n2)c1C(=O)C1(C)CC1,DGPGFFSJTQHXRM-ANGDWKNPSA-N
-rxn:2:119530:160422,Cc1ccc(CNC2CCN(c3ccc(S(C)(=O)=O)cc3)CC2)c(N2CCC(N(C)C)CC2)n1,HAKDPGTYYXIYNA-UHFFFAOYSA-N
-rxn:2:119623:149730,CC(NC1(c2nc(=O)c3c([nH]2)CCC3)CCCCC1)c1ccc(-c2cccc(CN(C)C)c2)c2c1OCO2,WKKOEPJPSZHTIA-UHFFFAOYSA-N
-rxn:2:119754:153742,CCC1C(F)(F)C12CCC(Nc1ccn(C)c(=O)c1S(=O)(=O)CC)CC2,SIWDAURUMCJKJM-UHFFFAOYSA-N
-rxn:2:119803:126600,Cc1ccc(C(C)NCc2cc(C3C4CC5CC(C4)CC3C5)n[nH]2)c(OS(=O)(=O)F)c1,VBOPYWFQQVKCQB-UHFFFAOYSA-N
-rxn:2:119892:135343,COS(=O)(=O)CC12CCC(CC1NCc1ccnc(S(=O)(=O)C3CC3)c1)C2(C)C,XENNFKJJCCXVPT-UHFFFAOYSA-N
-rxn:2:120197:166784,COc1cc(-c2ccc3[nH]c(=O)[nH]c3c2)cnc1C(C)NCC1(C(C2CCOCC2)N(C)C)COC1,VYVCOZSFGIWHJO-UHFFFAOYSA-N
-rxn:2:120312:139138,COCC(ONC1CC2CCC1(CS(=O)(=O)[O-])C2(C)C)C1C2CC3CC(C2)CC1C3,VYYHFYSLFWJRDO-UHFFFAOYSA-M
-rxn:2:120322:143973,O=S(=O)(F)CC1(CNC2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)CC1,HJWPBSILPRGYHN-UHFFFAOYSA-N
-rxn:2:120404:119356,CCOCC1CCN(c2nc(NC(C)c3cnccc3OCC3(C)CCC3)cs2)CC1,DDDRHQOAHCBTLB-UHFFFAOYSA-N
-rxn:2:120702:133952,CC(C)C1C(F)(F)C12CCC(NCC(C)(C)S(=O)(=O)c1ccn(C)n1)CC2,VBPOIAVRLJAVEZ-UHFFFAOYSA-N
-rxn:2:120734:69927,CN1CCC2(C1)Oc1ccccc1C2CNCCN(C)C1CCS(=O)(=O)CC1,PXZZYCHTZGHPOW-UHFFFAOYSA-N
-rxn:2:120784:133491,CCOCC1CCN(c2ccccc2NC(c2ccccc2)C(C)N2CCC(CC)CC2)CC1,XTDGXFNNFFIANT-UHFFFAOYSA-N
-rxn:2:121104:152317,CC(NC(C)(C)CCc1n[nH]c(C2CCCC2)n1)c1ccc(OCc2ccccc2)c2c1=CCC(=O)N=2,GQAWXBAWHUSFAT-UHFFFAOYSA-N
-rxn:2:121236:142905,CN1CCC(C2(C3(CNCC(c4ccc5[nH]c(=O)[nH]c5c4)N(C)C)CC3)COC2)C1,OGCRDTSDDQIKBF-UHFFFAOYSA-N
-rxn:2:122111:82250,CN(C1CCSC1)C1(CNC2C[C@@H]3CC[C@@]2(CS(=O)(=O)F)C3(C)C)CCSCC1,MBKUIUYGIYHKOS-RJPLPAITSA-N
-rxn:2:122548:84015,CN(C1CC1)C1(CNC2CC3CC[C@@]2(CS(=O)(=O)[O-])C3(C)C)Cc2ccccc2C1,PJKRAPOGXIJOEQ-HQOBLLPJSA-M
-rxn:2:123001:167563,CCc1[nH]c(=O)[nH]c1C(NCC1(N2CCCC2CN(C)C)CCN(C)C1)c1ccncc1,QVFJEVFKWGUWPA-UHFFFAOYSA-N
-rxn:2:123036:126122,CCOc1nc(N2CCC(C)(C)CC2)ccc1NC(c1ccc(CN2CCC2)cc1)C1CCC1,XWAABSVZXDNPLY-UHFFFAOYSA-N
-rxn:2:123472:143818,CC(CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)NCC(C1CC1)N(C)C1CCN(C)CC1,ZIFQZUWSZBTMTM-UHFFFAOYSA-N
-rxn:2:123682:84015,CC1(C)C2CC[C@]1(CS(=O)(=O)[O-])C(NCC(CC13CC4CC(CC(C4)C1)C3)C1CC1)C2,MHRSUXBOOYHKLN-FQFCGISBSA-M
-rxn:2:123700:139138,Cc1ccccc1C(CNC1CC2CCC1(CS(=O)(=O)[O-])C2(C)C)N1CCCC1,GKAJENIITXAHEG-UHFFFAOYSA-M
-rxn:2:123768:139138,CC1(C)C2CCC1(CS(=O)(=O)[O-])C(NCCN1CCCC1C13CC4CC(CC(C4)C1)C3)C2,ASGKJDXUXFHXGI-UHFFFAOYSA-M
-rxn:2:123768:84015,CC1(C)C2CC[C@]1(CS(=O)(=O)[O-])C(NCCN1CCCC1C13CC4CC(CC(C4)C1)C3)C2,ASGKJDXUXFHXGI-LCQLUTKYSA-M
-rxn:2:123990:143605,CC(NCCO[Si]12OCCN(CCO1)CCO2)c1ccc(S(=O)(=O)C2CCCCC2)s1,HMSLSBVUXMQDKF-UHFFFAOYSA-N
-rxn:2:125090:84594,CN(C1CCC(NC2CCN(C3CCCCC3)CC2)CC1)C(C)(C)C,CYIGKHBMSWNCJL-UHFFFAOYSA-N
-rxn:2:125722:154947,CCc1ccc(N2CCC(OC)CC2)c(NC(CN2CCC(N(C)C)CC2)c2c[nH]c3ccccc23)c1,KQLXCUHJNRIPAO-UHFFFAOYSA-N
-rxn:2:126410:143818,CC(CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)NOCCCN1CCN(C)CC1,CBJYBKDNPWULGI-UHFFFAOYSA-N
-rxn:2:126889:81549,CC(CCc1csc(C2CCN(C)CC2)n1)Nc1ccc(OCCN2CCCC2)nc1,GABKQHGRQNYTKD-UHFFFAOYSA-N
-rxn:2:127654:83490,CCCC(C(NC1CCN(OC)CC1)c1ccc2c(c1)CCO2)N1CCCC1,SFQQKUCWZCFTID-UHFFFAOYSA-N
-rxn:2:127680:143818,CC(CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)N[C@H](CN(C)C)C1CCOCC1,YXNHGBCWVPHDQL-VZDHWGDASA-N
-rxn:2:128281:132855,CCC(C)N1CC(NC2CCN(OC)CC2)CC(c2cccc(C)c2)C1,ATKLMMKPWJMLDO-UHFFFAOYSA-N
-rxn:2:128556:155396,CC(=O)c1ccc(C2C(CSC(C)Nc3c(N4CCCCC4)c(=O)[nH]c(=O)n3C)C2(F)F)nc1,BXTDTTVAUUAGKA-UHFFFAOYSA-N
-rxn:2:128963:143973,O=S1(=O)CCC(F)(CNC2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)CC1,AFXHAESYRSIEQS-UHFFFAOYSA-N
-rxn:2:128987:143818,CC(CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)NCc1cc(C2CCC2)nn1C(C)C1CCC1,WHHHINFBGDHYQF-UHFFFAOYSA-N
-rxn:2:129505:161479,CC(CCC1(c2ccc3[nH]c(=O)[nH]c3c2)COC1)Nc1ncccc1CN1CCC(N(C)C)CC1,MSWFKJYBMVTGSJ-UHFFFAOYSA-N
-rxn:2:129802:161479,CC(CCC1(c2ccc3[nH]c(=O)[nH]c3c2)COC1)Nc1cncnc1OC1CCCCC1N(C)C,QWYDHJYUQFNYIR-UHFFFAOYSA-N
-rxn:2:130033:130197,CCC(Nc1ccc(OCCN2CCOCC2)cn1)c1ccc(N2CCN(C)CC2)nc1C,HXNFWJKPOZBCPS-UHFFFAOYSA-N
-rxn:2:131193:73038,CCC(Nc1ccc(N2CCC(OC)CC2)nc1)c1cnc(N2CCN(CC)CC2)cc1C,NHVWMOUDJVJBLH-UHFFFAOYSA-N
-rxn:2:132135:144850,CCC1CCN(Cc2cc(NC(C)c3csc(-c4cnc(N5CCOCC5)nc4)c3)ccc2OC)CC1,KIFQLMDCVRUGHI-UHFFFAOYSA-N
-rxn:2:132135:149021,CCC1CCN(Cc2cc(NC(C)c3sccc3-c3cc(N4CCOCC4)ncn3)ccc2OC)CC1,YVNDCACVMSKJMF-UHFFFAOYSA-N
-rxn:2:132135:151487,CCC1CCN(Cc2cc(NC(C)c3sccc3-c3cnc(N4CCOCC4)nc3)ccc2OC)CC1,YUQFGVFATXDYQQ-UHFFFAOYSA-N
-rxn:2:132135:157570,CCC1CCN(Cc2cc(NC(C)c3ccc(-c4csc(N5CCOCC5)n4)cn3)ccc2OC)CC1,KKLMHDDKXHIOFB-UHFFFAOYSA-N
-rxn:2:132135:69140,CCC1CCN(Cc2cc(NC(CN(C)C(C)C)c3ccc(C)s3)ccc2OC)CC1,VQNSTVOTPYNSND-UHFFFAOYSA-N
-rxn:2:132135:97172,CCCC(Nc1ccc(OC)c(CN2CCC(CC)CC2)c1)C1CCCN(c2cnccn2)C1,JRCQTNLSSHWUNY-UHFFFAOYSA-N
-rxn:2:132240:139138,CCc1ccccc1N1CCC(ONC2CC3CCC2(CS(=O)(=O)[O-])C3(C)C)CC1,ZFKNBMNWMNUJEV-UHFFFAOYSA-M
-rxn:2:132243:161479,CC(CCC1(c2ccc3[nH]c(=O)[nH]c3c2)COC1)NCc1ccnc(N2CCC(N(C)C)CC2)c1,BIIGKHGYXWOQDI-UHFFFAOYSA-N
-rxn:2:132288:85031,CCCOC1CCCN(C2CCCCC2NC(c2ccccc2C2CC2)C2(C)CC2)C1,AETVIWBVBSGYQD-UHFFFAOYSA-N
-rxn:2:132608:143818,CC(CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)Nc1c(C2CCC2)c(C2CC2)nn1C1CCC1,JLNFRQMYTLPTOO-UHFFFAOYSA-N
-rxn:2:132988:138743,CN(C)C1CCCC(NC2CCN(C(C)(C)C)C2)CC1,ZEMLNOVQGOPUFG-UHFFFAOYSA-N
-rxn:2:133124:143973,Cc1cccc(OC2CCN(C)CC2)c1CNC1CCN(C2=NS(=O)(=O)c3ccccc32)CC1,AMWCCZSTNSNHQQ-UHFFFAOYSA-N
-rxn:2:133599:152720,CC(NCC1(N(C)C2CCOCC2)CCN(C)CC1)c1sccc1-c1ccc2n[nH]c(=O)n2c1,MTCPKWMCJRIXFX-UHFFFAOYSA-N
-rxn:2:133599:162543,CC(NCC1(N(C)C2CCOCC2)CCN(C)CC1)c1sccc1-c1cccc2c(=O)[nH][nH]c12,WOJULCOKUXYFMX-UHFFFAOYSA-N
-rxn:2:133891:136737,CCOCC1CCN(c2ccc(NC3CCC(N4CCCOCC4)CC3)cc2)CC1,MZSBQVHWZGHFIK-UHFFFAOYSA-N
-rxn:2:134021:139138,Cc1ccc(C2CCN(CCCNC3CC4CCC3(CS(=O)(=O)[O-])C4(C)C)CC2)cc1,VUIRFIQVTSTVAL-UHFFFAOYSA-M
-rxn:2:134913:143973,COc1cc(C2CCN(C)CC2)c(C)cc1NC1CCN(C2=NS(=O)(=O)c3ccccc32)CC1,KZZXMBVGZHNSOM-UHFFFAOYSA-N
-rxn:2:135170:163379,Cc1ccc2c(c1)C(Nc1cnn(S(=O)(=O)C3CCCC3)c1)C(CN1CCN(C)CC1)CCO2,UNNGEWAYAKZWEG-UHFFFAOYSA-N
-rxn:2:135309:143818,CC(CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)NCC(C)(C1CC1)N1CCC(N(C)C)CC1,PBWNYJHLFFCLCC-UHFFFAOYSA-N
-rxn:2:135699:143818,CC(CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)NC1(CN2CCOCC2)CCCCC1,LHLLCOTTWVCRCL-UHFFFAOYSA-N
-rxn:2:135784:139138,CCC(NC1CC2CCC1(CS(=O)(=O)[O-])C2(C)C)C12CC3CC(CC(C3)C1)C2,CPJXSVFNWCLFDH-UHFFFAOYSA-M
-rxn:2:136147:139138,Cc1cccc(OCC2(CNC3CC4CCC3(CS(=O)(=O)[O-])C4(C)C)CCCCN2C)c1,BEUSTKMXVSPORK-UHFFFAOYSA-M
-rxn:2:136737:70978,CCOCC1CCN(c2ccc(NC3CCCCC3N3CCN(C(C)CC)CC3)cc2)CC1,AKSHIKNQVAKNGQ-UHFFFAOYSA-N
-rxn:2:137849:153416,CC(CN(C)Cc1ccc2[nH]c(=O)[nH]c2c1)NC1CCCN(c2ccc(C3CCOCC3)nn2)C1,HOWMUTAUKSGZEV-UHFFFAOYSA-N
-rxn:2:137912:136205,CC(=O)c1cn([C@H]2C[C@H](CSC(C)NCC(F)(F)CN3CCSC(C)CC3)C2)nn1,TXEZAKPLHQDYDE-RWTQZSSNSA-N
-rxn:2:138126:137912,CC(=O)c1cn([C@H]2C[C@H](CSC(C)NCC(F)(F)CN3CCCSCC3)C2)nn1,URZUWDIXHJIAJB-ATBAIXNZSA-N
-rxn:2:138501:126600,Cc1ccc(C(C)NCc2cn(C3CCN(C)CC3)nc2C2CCC2)c(OS(=O)(=O)F)c1,NDWGVDRXRZTAAL-UHFFFAOYSA-N
-rxn:2:138588:143818,CC(CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)Nc1c2c(nn1C1CCOCC1)CCN(C)C2,JZBMHMPAOOACSN-UHFFFAOYSA-N
-rxn:2:140012:143818,COC1CCOC2(CCN(CCCNC(C)CC(c3ccc4[nH]c(=O)[nH]c4c3)N(C)C)C2)C1,KPQDCFTZLBSTGU-UHFFFAOYSA-N
-rxn:2:140012:165003,CCC1(c2cnc[nH]2)Cc2ccccc2C1NCCCN1CCC2(CC(OC)CCO2)C1,BIVJMAVSLMGESZ-UHFFFAOYSA-N
-rxn:2:140219:143818,CC(CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)NCc1cn(C2CCOCC2)nc1C1CCCC1,DIOSQTIPYKIGPX-UHFFFAOYSA-N
-rxn:2:140794:83224,CCS(=O)(=O)CC1(CNC2CCC(C)(C)[C@]34CC[C@H](C3)C(C)(C)[C@@H]24)CC1,RJZIYDCLEINOGX-ZFBYCHQPSA-N
-rxn:2:140873:105068,CCCC(NC1CCN(c2ccccc2COC)CC1)C1CCN(C2CCC2)CC1,VJGIXDRZJLBQIU-UHFFFAOYSA-N
-rxn:2:140873:84782,CCCC(NC1CCN(c2ccccc2COC)CC1)C1CCN(C2CCCC2)CC1,CFSUNYYQPFCZQH-UHFFFAOYSA-N
-rxn:2:141166:139138,CC1(C)C2CCC1(CS(=O)(=O)[O-])C(NC[C@@H]1OCC3(CC3)c3sccc31)C2,CWQWFHKFZWTYLN-JLUMCWCFSA-M
-rxn:2:141267:73038,CCC(Nc1ccc(C2(OC)CCOCC2)nc1)c1cnc(N2CCN(CC)CC2)cc1C,SIWZIOJUTYDYKG-UHFFFAOYSA-N
-rxn:2:141584:139138,CN(CC(NC1CC2CCC1(CS(=O)(=O)[O-])C2(C)C)C12CC3CC(CC(C3)C1)C2)C1CC1,ZVLWEOLLFDRDQI-UHFFFAOYSA-M
-rxn:2:142171:143818,CC1CCCN(c2cc3c(cc2NC(C)CC(c2ccc4[nH]c(=O)[nH]c4c2)N(C)C)OCCO3)C1,PACYLCULFBSBRR-UHFFFAOYSA-N
-rxn:2:144363:114498,CCC(CN1CCC(N(C)C)CC1)NC(c1ccc2[nH]c(=O)[nH]c2c1)C1CCCCO1,OCIGZEYFWVZULL-UHFFFAOYSA-N
-rxn:2:154310:114498,CCC(CN1CCC(N(C)C)CC1)NC(c1ccc2[nH]c(=O)[nH]c2c1)C1CCCO1,ZDFBPMZLAARYQE-UHFFFAOYSA-N
-rxn:2:159744:87172,CN1CCC(N(C)CC(Nc2cc3[nH]c(=O)[nH]c3cc2N2CCOCC2)c2cccn2C)CC1,MXQOBFDNIVRPRR-UHFFFAOYSA-N
-rxn:2:164268:114498,CCC(CN1CCC(N(C)C)CC1)Nc1cc(CC(C)C)nn1-c1cnccc1OC,NPDOHYSRUBUXDI-UHFFFAOYSA-N
-rxn:2:66209:104426,CN(C)C1CCCC(NC2CCCN(C(C)(C)C)C2)C1,QYQLWKBOVHYOFU-UHFFFAOYSA-N
-rxn:2:66209:71969,CN(C)C(NC1CCCN(C(C)(C)C)C1)C1CCCC1,NRBOJJVURWBTBO-UHFFFAOYSA-N
-rxn:2:66580:88564,CC(CNC1C2(C)CCC3C2(C)COC31S(=O)(=O)[O-])(C1CC1)n1[nH]c(=O)ccc1=O,SCOGNPCZNYCTOI-UHFFFAOYSA-M
-rxn:2:67023:139138,CN1CCC(NC2CC3CCC2(CS(=O)(=O)[O-])C3(C)C)C(N2CCc3ccccc3C2)C1,RUXFTZDILPYEQU-UHFFFAOYSA-M
-rxn:2:67638:84594,CN(C1CCC(NC2CCC(N3CCC3)C2)CC1)C(C)(C)C,BOMDTJJJVCTENY-UHFFFAOYSA-N
-rxn:2:67736:139138,CC(NC1CC2CCC1(CS(=O)(=O)[O-])C2(C)C)c1ccc(C#CC2CC2)cc1,KBVPHAIRFDGQRL-UHFFFAOYSA-M
-rxn:2:68132:78034,CN(C)C1CCC(NC2CCCN(C(C)(C)C)CC2)C1,FKFBYOGQIGPOHH-UHFFFAOYSA-N
-rxn:2:68409:136737,CCOCC1CCN(c2ccc(NC3CC[Si]4(CCCC4)CC3)cc2)CC1,OMNGEXLDCYSXKH-UHFFFAOYSA-N
-rxn:2:68897:147968,CCCCC(/N=c1\ncc2c([nH]1)CC(C)(C)CC2=O)Nc1cnccc1OC1(CC(C)C)COC1,LMTLGMVCUZQWQP-UHFFFAOYSA-N
-rxn:2:69035:149130,CCc1nc2cc(C(CCN3CCCCC3)Nc3ccc(N4CCC(N(C)C)CC4)cc3OC)ccc2[nH]1,AIHXPTMJONSPPI-UHFFFAOYSA-N
-rxn:2:69035:149999,COCc1cc(N2CCC(Nc3ccc(N4CCC(N(C)C)CC4)cc3OC)CC2)nc(-c2cccnc2)n1,OJZBPNWIFSSBLL-UHFFFAOYSA-N
-rxn:2:69035:160256,CCc1nc(-c2ccncc2)cc(N2CCC(Nc3ccc(N4CCC(N(C)C)CC4)cc3OC)CC2)n1,ZZOUODARGHCQAF-UHFFFAOYSA-N
-rxn:2:69491:88564,COc1ccc(C(CNC2C3(C)CCC4C3(C)COC42S(=O)(=O)[O-])N2CCCCCC2)cc1,HKAIOUQUVQPOIR-UHFFFAOYSA-M
-rxn:2:69554:139138,Cc1ccccc1C(C)N1CCCC(NC2CC3CCC2(CS(=O)(=O)[O-])C3(C)C)C1,SSPOVIZHVDISEF-UHFFFAOYSA-M
-rxn:2:69933:126600,Cc1ccc(C(C)NCCCC2CCCN(C)CC2)c(OS(=O)(=O)F)c1,NENABAYHMLQIED-UHFFFAOYSA-N
-rxn:2:70683:140659,COCc1cc(OS(=O)(=O)F)ccc1NC1CCC2(CC1)CS(=O)(=O)C2,XWPLDKQEZGYBLV-UHFFFAOYSA-N
-rxn:2:70685:82390,CC(CC1C2CC3CC(C2)CC1C3)CC(C)(C)NC1CC(S(=O)(=O)F)C1,UZXRAKXKJFASKB-UHFFFAOYSA-N
-rxn:2:70837:139138,CC1(C)C2CCC1(CS(=O)(=O)[O-])C(NCC13CCC(CC1)CC3)C2,QVGREPFQIKCSEO-UHFFFAOYSA-M
-rxn:2:71242:136518,CCC(Nc1cc2c(cc1N1CCOCC1)OCO2)C1CCC(OC)CC1,BHTJGARNPUFXFM-UHFFFAOYSA-N
-rxn:2:71576:131618,CN(C1CCC1)C(C)(C)CNC1CCC(C2CCCC2)CC1,FPPHHUDZLDZWJL-UHFFFAOYSA-N
-rxn:2:71576:139679,CN(C1CCC1)C(C)(C)CNC1CCC(C2CC2)CC1,XDEDQIHAVYFDHA-UHFFFAOYSA-N
-rxn:2:71576:96396,CN(C1CCC1)C(C)(C)CNC1CC(C2CCCC2)C1,JOXLEXKPPRWCAX-UHFFFAOYSA-N
-rxn:2:71988:90505,CCn1ncc(C(CN2CCOCC2)Nc2cccnc2OCC2CCN(C)CC2)c1C,VBYVPLOCVPKDQD-UHFFFAOYSA-N
-rxn:2:72010:91059,CC(=O)c1cn([C@H]2C[C@@H](CSC(C)NCCCN3CC4CCC(F)(F)C4C3)C2)nn1,RIYBYOVXZCDMMP-BJAQTKEGSA-N
-rxn:2:72198:88564,CC(C)C(C#CC1CC1)NC1C2(C)CCC3C2(C)COC31S(=O)(=O)[O-],MXGOSZHZYIOGQM-UHFFFAOYSA-M
-rxn:2:72247:143818,CC(CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)Nc1cc(CC2CCC2)nn1CC1CCCC1,ORXNPVMWADHHKU-UHFFFAOYSA-N
-rxn:2:72309:84594,CN(C1CCC(NC2CC3CCCC32)CC1)C(C)(C)C,UWZXAOAUMZWWIR-UHFFFAOYSA-N
-rxn:2:72687:73038,CCC(Nc1ccc(N2CCC(COC)CC2)nc1)c1cnc(N2CCN(CC)CC2)cc1C,KMBRZCIWUMXXBV-UHFFFAOYSA-N
-rxn:2:72763:125295,CC(C)(C)[Si](C)(C)O[C@H]1C[C@@H]1NC1CC(CS(=O)(=O)F)C1,VTOKSFLJEKSMRO-TYUFSLCMSA-N
-rxn:2:72860:143818,CC(CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)Nc1cc2c(c(CN3CCCCC3)c1)OCOC2,OPTXDCMLHVAQDA-UHFFFAOYSA-N
-rxn:2:73120:120955,CCCOS(=O)(=O)c1cccc(NC2CCN(C3CC(F)(F)C3)CC2)c1,FOQPJBTUPKLMIW-UHFFFAOYSA-N
-rxn:2:73305:98213,CC1CCN(C2(CNC3CC4CCCC(C3)N4CCn3cccn3)CCS(=O)(=O)CC2)C1,NMVABUMIEDZNCY-UHFFFAOYSA-N
-rxn:2:73467:142905,CN1CCC(C(N(C)C)C2(NCC(c3ccc4[nH]c(=O)[nH]c4c3)N(C)C)CC2)CC1,WXJOVOYJQRLFEA-UHFFFAOYSA-N
-rxn:2:73519:114983,CCc1nn(C2CCN(C)CC2)cc1CNC(COCC1CCOC1)c1cccn1C,CZXAPTDTWYPCDU-UHFFFAOYSA-N
-rxn:2:73534:143818,CC(CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)Nc1cn(CC2CCCC2)nc1CC1CCCC1,KBVBADHVKDFYBY-UHFFFAOYSA-N
-rxn:2:73779:150247,CC(NCC1(N2CCC(N(C)C)CC2)CCN(C)C1)c1ccc(-c2ccc3n[nH]c(=O)n3c2)s1,CEQYYQFKKQOADR-UHFFFAOYSA-N
-rxn:2:73911:77349,CCOc1ccc(C(CS(C)(=O)=O)NOC[C@@H]2[C@@H]3CCC#CCC[C@@H]32)cc1,HPQXJYJPYJNTEG-CWNQJQRUSA-N
-rxn:2:74339:140873,CCCC(NC1CCN(c2ccccc2COC)CC1)C1CCCN1C1CCCC1,JCQDQHRPOWGVGN-UHFFFAOYSA-N
-rxn:2:74482:139138,CC1CCCN(C(C)(Cc2ccsc2)NC2CC3CCC2(CS(=O)(=O)[O-])C3(C)C)C1,OSDPEPZKFSMTKZ-UHFFFAOYSA-M
-rxn:2:74583:84594,CN(C1CCC(NC2CC(C3CCCC3)C2)CC1)C(C)(C)C,YPMZRKZHVMPFFA-UHFFFAOYSA-N
-rxn:2:74683:130197,CCC(Nc1cnccc1OCCN1CCCCC1)c1ccc(N2CCN(C)CC2)nc1C,AECLGDPSWRRACT-UHFFFAOYSA-N
-rxn:2:74888:159511,CCC(NCC(C1CCOC1)N1CCC(N(C)C)CC1)c1cccc(-c2ccc3[nH]c(=O)[nH]c3c2)c1,PNIKIEVGJQNNTJ-UHFFFAOYSA-N
-rxn:2:74945:126600,Cc1ccc(C(C)NOCCC2CCCCN2C2CCCCC2)c(OS(=O)(=O)F)c1,OWHPRXPFBZAMFW-UHFFFAOYSA-N
-rxn:2:75029:139138,Cc1cccc(C(CN2CCC(C)CC2)NC2CC3CCC2(CS(=O)(=O)[O-])C3(C)C)c1,RXCBYIVLYNCJDB-UHFFFAOYSA-M
-rxn:2:75604:117066,COCCOC1CCCCCC1NC(C)c1ccc(OS(=O)(=O)[O-])cc1,XUVOGGFKZRJBCS-UHFFFAOYSA-M
-rxn:2:76179:149985,CO[C@H]1CC[C@@H](CCCNC(c2ccccc2)c2cnc(N3CCOCC3)cc2C)CC1,SGKRERQSSUODPP-PAZKDMBFSA-N
-rxn:2:76179:71784,CCc1ccccc1N1CCC(NCCC[C@H]2CC[C@@H](OC)CC2)CC1,DJYLIWGOPUEPHS-IQGASKDCSA-N
-rxn:2:76532:111009,COC1CCOC2(CCN(CCCNC(c3ccccn3)c3c(C)cccc3C)CC2)C1,NGZWWUQUUVGGQP-UHFFFAOYSA-N
-rxn:2:76532:129639,COC1CCOC2(CCN(CCCNC(c3ccccn3)C(C)(C)C)CC2)C1,AETJMKBXLRUPEQ-UHFFFAOYSA-N
-rxn:2:76532:134609,COC1CCOC2(CCN(CCCNC(Cc3ccccn3)c3ccoc3C)CC2)C1,FPJSACDSVGGAQB-UHFFFAOYSA-N
-rxn:2:76532:143065,COC1CCOC2(CCN(CCCNC(c3ccccn3)c3ccccc3-c3c(C)cnn3C)CC2)C1,ZFTVLQUEYODIHX-UHFFFAOYSA-N
-rxn:2:76532:143818,COC1CCOC2(CCN(CCCNC(C)CC(c3ccc4[nH]c(=O)[nH]c4c3)N(C)C)CC2)C1,YEPOQZAXNYUKQD-UHFFFAOYSA-N
-rxn:2:76532:144920,COC1CCOC2(CCN(CCCNC(C)c3c(-c4cccc(OC(C)C)c4)cn[nH]c3=O)CC2)C1,QWXCWBUAEOJBKW-UHFFFAOYSA-N
-rxn:2:76532:148591,COC1CCOC2(CCN(CCCNC(c3cc(C)ccn3)c3ccccc3C)CC2)C1,ZUXJJQHNHCCIIX-UHFFFAOYSA-N
-rxn:2:76532:152445,CCc1ccc(C(NCCCN2CCC3(CC2)CC(OC)CCO3)c2cnccc2C)cc1,FAHRRLHNLGOIEI-UHFFFAOYSA-N
-rxn:2:76532:153078,CCC(NCCCN1CCC2(CC1)CC(OC)CCO2)c1ccc(N2CCCc3ccccc32)nc1,IMFHOPKAPKBFLW-UHFFFAOYSA-N
-rxn:2:76569:144192,CCOc1ccc(C(C#CN2CCCC2)Nc2ccc(N3CC(N(C)C)C3)nc2)cc1C,AGNUKXDQMOKHOI-UHFFFAOYSA-N
-rxn:2:77066:139138,Cc1cc(CNC2CC3CCC2(CS(=O)(=O)[O-])C3(C)C)ccc1OC1COC1,BKJVMPMDLLYMMA-UHFFFAOYSA-M
-rxn:2:77349:79791,CSc1ccc(C(CS(C)(=O)=O)NOC[C@@H]2[C@@H]3CCC#CCC[C@@H]32)cc1,VMOFKSBRZMCNOY-RKZNWXTNSA-N
-rxn:2:77649:105145,CCC(Nc1cccnc1OCC1CCN(C)C1)c1ccc(N2CCC3(CC2)CC3)cc1,UDFBYLYFJSCMAL-UHFFFAOYSA-N
-rxn:2:78105:104192,Cn1ccnc1CN1C[C@@H](F)C[C@H]1CNC1CC(C[Si](C)(C)C)C12CCC2,SQYJDPLLLQLPDR-YBXZHIRMSA-N
-rxn:2:78136:139138,CC(C)(F)C1(NC2CC3CCC2(CS(=O)(=O)[O-])C3(C)C)CC1,CNDHENRLJMUFCE-UHFFFAOYSA-M
-rxn:2:78137:96642,CCCC(Nc1cc(OC)ccc1N1CCOCC1)C1CCN(C2CC2)CC1,MSKQNNMOWXYUGG-UHFFFAOYSA-N
-rxn:2:78984:127654,CCCC(C(NC1CCN(OC)CC1)c1cccc(C)c1)N1CCCC1,MEYLXDKOCKMTNR-UHFFFAOYSA-N
-rxn:2:79020:127654,CCCC(C(NC1CCN(OC)CC1)c1ccccc1C)N1CCCC1,ZUQYAJWCTRALLZ-UHFFFAOYSA-N
-rxn:2:79124:122138,C=C=CC(NCC1(S(=O)(=O)C2CCCC2)COC1)c1ccccc1OC,CMHJCXBCWBBTFK-UHFFFAOYSA-N
-rxn:2:79530:171582,CCCC(C(Nc1ccc(OC)cc1N1CCCC1)c1ccc2c(c1)CCCC2)N1CCCC1,OJEOEUGPMGSQKN-UHFFFAOYSA-N
-rxn:2:79800:115744,COc1ccccc1C1(N2CCC(NCCS(=O)(=O)N=S(C)(C)=O)CC2)CC1,MAEFTWFBHBTKGB-UHFFFAOYSA-N
-rxn:2:79835:125295,CC(C)(C)[Si](C)(C)O[C@@H]1C[C@@H]2[C@H](C1)[C@H]2NC1CC(CS(=O)(=O)F)C1,SXNNOFUBHGWIIU-UEJRTQLPSA-N
-rxn:2:80030:130197,CCC(Nc1ccc(OCC2(CC)CCCC2)nc1)c1ccc(N2CCN(C)CC2)nc1C,AUBYIGUREABJKM-UHFFFAOYSA-N
-rxn:2:80030:153615,CCc1ccc2[nH]c(N3CCCCC3)c(C(C)Nc3ccc(OCC4(CC)CCCC4)nc3)c2c1,NAMFFIBKYVTNES-UHFFFAOYSA-N
-rxn:2:80075:90864,CC1(C)CC(NCCS(=O)(=O)CC2CC2)CC2(C)C3CCC2(C)CC31,PYDVSQLCLHTLDR-UHFFFAOYSA-N
-rxn:2:80091:114541,CCS(=O)(=O)c1ccc(C(C)NCCN2CC(COC)C3(CCC3)C2)cc1,DJUAOSRAWKYNQA-UHFFFAOYSA-N
-rxn:2:80298:161893,Cc1c2c(nn1COCC[Si](C)(C)C)C(Nn1ccc3nc(N4CCOCC4)ncc3c1=O)CC2,QUQGUGKMVCAFJY-UHFFFAOYSA-N
-rxn:2:80561:143818,CC(CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)Nc1c(C2CC2)cnn1C(C)C1CCCOC1,HMIVUKKIUFPVNU-UHFFFAOYSA-N
-rxn:2:80662:133375,COc1ccc(C(NC[C@H]2[C@@H]3CCCCCC[C@@H]32)C(C)S(C)(=O)=O)cc1,PMRMQHYKIWPHAO-RXGCQVOBSA-N
-rxn:2:81199:143818,CC(CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)Nc1c(C2CCC2)c(C2(C)CC2)nn1C1CCC1,VFKBJSAHLFBLAD-UHFFFAOYSA-N
-rxn:2:81311:139138,CC1CCCN(Cc2ccc(CNC3CC4CCC3(CS(=O)(=O)[O-])C4(C)C)cc2)C1,ZGSFORFFIHVQNF-UHFFFAOYSA-M
-rxn:2:82688:113527,CCc1cc(C(CC2=NCCO2)NCc2ccnc(N3CCC(N(C)C)CC3)n2)ccc1OC,AYIUNZFGDCHKPS-UHFFFAOYSA-N
-rxn:2:82769:139138,Cc1cccc(CN2CCC(CNC3CC4CCC3(CS(=O)(=O)[O-])C4(C)C)CC2)c1,MGVNDRWWKBNAAY-UHFFFAOYSA-M
-rxn:2:82979:113378,CCSc1ccc(C(C#CN2CCCC2)NOCC2CCN(C3CCS(=O)(=O)C3)CC2)cc1,SMLHUZPVRSJMMR-UHFFFAOYSA-N
-rxn:2:83028:143973,CC(CN1CCC(N(C)C)CC1)NC1CCN(C2=NS(=O)(=O)c3ccccc32)CC1,HXEBNJJKOWRBMG-UHFFFAOYSA-N
-rxn:2:83224:140794,CCS(=O)(=O)CC1(CNC2CCC(C)(C)[C@]34CC[C@H](C3)C(C)(C)[C@@H]24)CC1,RJZIYDCLEINOGX-ZFBYCHQPSA-N
-rxn:2:83774:143818,CC(CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)Nc1cn(CC2CCCCC2)nc1C1CCC1,LEGPMTBZKCXDJY-UHFFFAOYSA-N
-rxn:2:83988:74747,CC(C)CC(NC1C[C@H]2CC[C@]1(CS(=O)(=O)[O-])C2(C)C)C1C2CC3CC(C2)CC1C3,DKSUASAADWRQOR-FPBLOMPZSA-M
-rxn:2:84015:103254,CC(NC1CC2CC[C@@]1(CS(=O)(=O)[O-])C2(C)C)C12CC3CC(C)(CC(C)(C3)C1)C2,OYNCGXVHEYWFQJ-CNSYHDBWSA-M
-rxn:2:84015:140904,CC(COC12CC3CC(CC(C3)C1)C2)NC1CC2CC[C@@]1(CS(=O)(=O)[O-])C2(C)C,UVRKJHCHJJEYEP-LBPSWVDYSA-M
-rxn:2:84015:82390,CC(CC1C2CC3CC(C2)CC1C3)CC(C)(C)NC1CC2CC[C@@]1(CS(=O)(=O)[O-])C2(C)C,XGHRDNIOHIIELN-UTRZUSEOSA-M
-rxn:2:84128:157499,CO[C@@H]1CN2CCC[C@]2(CNC2c3cc(C)ccc3N=C3C2CCN3c2ccccc2)C1,IKZOPHXCNRMCBU-GVJADEFVSA-N
-rxn:2:84594:105280,CN(C1CCC(N[C@H]2[C@@H]3CCCCC[C@@H]32)CC1)C(C)(C)C,OFFUZXQIAZQCGJ-JREVHRFXSA-N
-rxn:2:84594:124151,CN(C1CCC(NC2CCCCC2C2CC2)CC1)C(C)(C)C,IWNUKBIDXKNBDH-UHFFFAOYSA-N
-rxn:2:84594:130069,CN(C1CCC(NC2CC(N3CCCC3)C2)CC1)C(C)(C)C,PQPKFPXOKJFKAX-UHFFFAOYSA-N
-rxn:2:84594:140286,CN(C1CCC(NC2CCC3CC3C2)CC1)C(C)(C)C,KTHXYVFSAGRGOW-UHFFFAOYSA-N
-rxn:2:84594:90073,CN(C1CCC(NC2CC3CCCC3C2)CC1)C(C)(C)C,VKVKMMHFJTUJST-UHFFFAOYSA-N
-rxn:2:84594:90692,CN(C1CCC(NC2CCC(C3CCCC3)CC2)CC1)C(C)(C)C,FOIDIRGMUCDBHZ-UHFFFAOYSA-N
-rxn:2:84594:91957,CN(C1CCC(NC2CCN(C(C3CC3)C3CC3)C2)CC1)C(C)(C)C,LJBFGXWXELZGQY-UHFFFAOYSA-N
-rxn:2:84594:94305,CN(C1CCC(NC2C3CCCCC32)CC1)C(C)(C)C,KUNMRPSZCGRLSV-UHFFFAOYSA-N
-rxn:2:84594:98184,CN(C1CCC(NC2CCC(C3CC3)C2)CC1)C(C)(C)C,JJEDXFRJJXJLPD-UHFFFAOYSA-N
-rxn:2:84782:122520,CCCC(Nc1ccc(C2(OC)COC2)cc1)C1CCN(C2CCCC2)CC1,OQCWKHHZQBVVQY-UHFFFAOYSA-N
-rxn:2:84782:140873,CCCC(NC1CCN(c2ccccc2COC)CC1)C1CCN(C2CCCC2)CC1,CFSUNYYQPFCZQH-UHFFFAOYSA-N
-rxn:2:85111:140873,CCCC(NC1CCN(c2ccccc2COC)CC1)C1CCCN(C2CC2)C1,QAZHOGVJYRZWPN-UHFFFAOYSA-N
-rxn:2:85181:122520,CCCC(Nc1ccc(C2(OC)COC2)cc1)C1CCCN1C1CCC1,WMEDDTCINTVLSE-UHFFFAOYSA-N
-rxn:2:85236:149407,CN1CCCC(N(C)Cc2ccc(CNC(CC3=NCCO3)c3ccc4[nH]c(=O)[nH]c4c3)o2)C1,LZIUNXIQZUYNDT-UHFFFAOYSA-N
-rxn:2:85456:143973,CC1(F)CCN(CCNC2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)C1,GSEHHPGQCYAELT-UHFFFAOYSA-N
-rxn:2:85477:143818,CC(CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)NCC(C1CCOC1)N1CCCC1,RNMPBUJKQXNNLP-UHFFFAOYSA-N
-rxn:2:85786:136378,CS(=O)(=O)OCCN1CCC(NCC23C4C5C2C2C3C4C52F)CC1,AVIURELIKMQQPT-UHFFFAOYSA-N
-rxn:2:85786:154391,CC(CCCCn1c(=O)c2nc[nH]c2n(C)c1=O)NCC12C3C4C1C1C2C3C41F,TYWHJVVNZCPHBZ-UHFFFAOYSA-N
-rxn:2:86107:143818,CC(CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)Nc1nc2c(c(N3CCOCC3)n1)CCCN2C,HWXFXXZVJQVGLH-UHFFFAOYSA-N
-rxn:2:86393:143385,COCc1cc(N2CCC(Nc3cc(N4CCC(N(C)C)CC4)ccc3C)CC2)nc(-c2ccncc2)n1,YOXNQMZNZXIARR-UHFFFAOYSA-N
-rxn:2:86717:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3NC2CCN(C3CCC(C(C)(C)C)CC3)CC2)cn1,HEJUCNMSOLDCQD-UHFFFAOYSA-N
-rxn:2:86963:143818,CCOC1(CNC(C)CC(c2ccc3[nH]c(=O)[nH]c3c2)N(C)C)CCCOCC1,HBLRPJZVGBHHLF-UHFFFAOYSA-N
-rxn:2:87082:139138,Cc1ccc(C(CNC2CC3CCC2(CS(=O)(=O)[O-])C3(C)C)N2CCCN(C)CC2)cc1,VGQPMBVKMLPKCI-UHFFFAOYSA-M
-rxn:2:87172:159744,CN1CCC(N(C)CC(Nc2cc3[nH]c(=O)[nH]c3cc2N2CCOCC2)c2cccn2C)CC1,MXQOBFDNIVRPRR-UHFFFAOYSA-N
-rxn:2:87262:141967,CC1(C)C(C[Si](C)(C)C)CC1N[C@H]1C[C@@H](N2CCCC2)C1,SGZSQGNZDTXKNG-HPZPOOBXSA-N
-rxn:2:87310:143818,CC(CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)NCC1(CN(C)C)CCOCC1,PNOREMURFKCTHX-UHFFFAOYSA-N
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-rxn:2:87496:142064,CCC(NCC1(N2CCCN(C)CC2)CCSC1)c1cccc(S(=O)(=O)F)c1,WYRDPBYPCRKPQE-UHFFFAOYSA-N
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-rxn:2:119739:139138,CC[C@]1(CNC2CC3CCC2(CS(=O)(=O)[O-])C3(C)C)C[C@@H]2CCC[C@@H](C2)C1,VUJMLXMSNLPMJZ-BHJCZZKFSA-M
-rxn:2:119754:117795,CCC1C(F)(F)C12CCC(Nc1c(C)c(C(C)C)nn1CCN(C)C)CC2,WQETWZBQWPVDBD-UHFFFAOYSA-N
-rxn:2:119754:127609,CCC1C(F)(F)C12CCC(Nc1c(C)c(C3(C)CC3)nn1CCN(C)C)CC2,OQSLCKVJMRMDBZ-UHFFFAOYSA-N
-rxn:2:121007:128646,Cc1ccc(C(NC2CCCCCC2c2ccc(C(C)(C)C)cc2)C2CCCC2)cc1C,XIPSPGVTAYJODP-UHFFFAOYSA-N
-rxn:2:121050:126600,Cc1ccc(C(C)NC2(CN3CCS(=O)(=O)CC3)CCCCC2)c(OS(=O)(=O)F)c1,VZOONDRVLMTEHI-UHFFFAOYSA-N
-rxn:2:121070:131786,CCC1CCC(n2cc(NC(C)c3cccc(C(F)C4CCN(C)CC4)c3)nn2)CC1,JOQCBXWOMZUKBH-UHFFFAOYSA-N
-rxn:2:121321:143818,CC(CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)Nc1cc(C2CCCCC2)n(C2CCOC2)n1,UCCFZRZELJEKHS-UHFFFAOYSA-N
-rxn:2:121441:125092,CC(CC(c1ccccn1)N1CCN(C)CC1)Nc1cn(C)nc1S(=O)(=O)C1COC1,ZUGUZXIKQCYKST-UHFFFAOYSA-N
-rxn:2:121538:139138,CC(NC1CC2CCC1(CS(=O)(=O)[O-])C2(C)C)C(OC1CCCCC1)c1cccs1,BMWVIEFWLQDFBI-UHFFFAOYSA-M
-rxn:2:121656:139138,CC1(C)C2CCC1(CS(=O)(=O)[O-])C(NCC[C@@H]1C[C@H]1C1CC1)C2,WIOSWBKYDWIPCX-YREXVJSPSA-M
-rxn:2:122109:134221,CCC(Nc1c(C2CC2)cnn1C1CN(C)C1)c1cnc(N2CCN(C)CC2)cc1C,HBUYWUVDTPXBRC-UHFFFAOYSA-N
-rxn:2:122426:126170,CCCC(C(NC1CN(C)CC1c1ccc2c(c1)CCC2)c1ccc2c(c1)CCC2)N1CCCC1,XVOIEWDSVUHBRP-UHFFFAOYSA-N
-rxn:2:122426:171582,CCCC(C(NC1CN(C)CC1c1ccc2c(c1)CCC2)c1ccc2c(c1)CCCC2)N1CCCC1,HSYRJYCVAQJCDL-UHFFFAOYSA-N
-rxn:2:122445:126600,Cc1ccc(C(C)NC2CN(C3CCC(C)CC3)C2)c(OS(=O)(=O)F)c1,WLKSPOQMEQWNPD-UHFFFAOYSA-N
-rxn:2:123287:128441,CCSC1C2CCCC1CC(CNC(CCS(=O)(=O)F)C1CC1)C2,BRIASGXOZYMMHI-UHFFFAOYSA-N
-rxn:2:123472:161441,Cc1c(C(C)NCC(C2CC2)N(C)C2CCN(C)CC2)cc(-c2ccc3[nH]c(=O)[nH]c3c2)n1C,YRBPPHKZQDVINA-UHFFFAOYSA-N
-rxn:2:124269:143818,CCN(C)C1(CNC(C)CC(c2ccc3[nH]c(=O)[nH]c3c2)N(C)C)CCN(C2CC2)C1,FSWRNPFSPHFEJL-UHFFFAOYSA-N
-rxn:2:124975:115972,C[C@H](NC1C[C@H]2CC[C@@]1(CS(=O)(=O)F)C2(C)C)C(C1CC1)C1CC1,JLVVTSDZNWMFNB-IYDLAQMASA-N
-rxn:2:125295:131539,CC(CNC1CC(CS(=O)(=O)F)C1)CN(C)C1C2CC3CC(C2)CC1C3,CRFDCKKQWWDIEF-UHFFFAOYSA-N
-rxn:2:125295:132861,CN(C)c1ccc(C2(C3(NC4CC(CS(=O)(=O)F)C4)CC3)COC2)cc1,QDMBEGCIRUINKB-UHFFFAOYSA-N
-rxn:2:125295:134326,CC1(C)[C@@H]2CCC1(C)[C@@H](NC1CC(CS(=O)(=O)F)C1)C2,REHWQMLOBSJBGV-CZPVAIFKSA-N
-rxn:2:125415:141720,CCS(=O)(=O)n1cc(NC2CC3(C)C4CN(C)CC(C4(F)F)C3(C)C2)cn1,VWYZYWAFXYTHTQ-UHFFFAOYSA-N
-rxn:2:125902:83490,CCCC(C(Nc1ccc2c(c1)CN(C)CC21CC1)c1ccc2c(c1)CCO2)N1CCCC1,ZKTXBPUDRHBGAA-UHFFFAOYSA-N
-rxn:2:126492:142905,CCC(C)N(C)C1(CNCC(c2ccc3[nH]c(=O)[nH]c3c2)N(C)C)CCOCC1,SXNGZTYGWPOPIM-UHFFFAOYSA-N
-rxn:2:126600:130944,Cc1ccc(C(C)NC2CCCC2N(C)C2CCN(C)CC2)c(OS(=O)(=O)F)c1,JPAQVOVTJLBPPQ-UHFFFAOYSA-N
-rxn:2:126600:136717,Cc1ccc(C(C)NCC(C)Cc2nccc(C3CCN(C)CC3)n2)c(OS(=O)(=O)F)c1,SBQZCONGBWXLCE-UHFFFAOYSA-N
-rxn:2:127654:170864,CON1CCC(NC(C)c2c(N3CCCC3)[nH]c3ccc(C(C)(C)C)cc23)CC1,QWXFBMRBHZFTFO-UHFFFAOYSA-N
-rxn:2:128441:133419,O=c1[nH]nc(C(NC(CCS(=O)(=O)F)C2CC2)C2C3CC4CC(C3)CC2C4)[nH]1,FJTYFIJDBJTHFZ-UHFFFAOYSA-N
-rxn:2:129606:69280,COCC(Cc1ccc2c(c1)OCCO2)NC1CCN([C@H](C)c2ccccc2OC)CC1,GMJHTYXQIBMJTJ-LCQOSCCDSA-N
-rxn:2:129802:144237,CC(=O)c1cncc(C2C(CSC(C)Nc3cncnc3OC3CCCCC3N(C)C)C2(F)F)c1,WXHMYKOHQLVNGY-UHFFFAOYSA-N
-rxn:2:129836:171582,CCCC(C(Nc1nc2c(s1)CC(F)CC2)c1ccc2c(c1)CCCC2)N1CCCC1,ONBODGZSRXMTJJ-UHFFFAOYSA-N
-rxn:2:129951:143818,Cc1cc(C2CCCN(C)C2)nc(C2(NC(C)CC(c3ccc4[nH]c(=O)[nH]c4c3)N(C)C)CC2)n1,PNTGMNZTZBEDQV-UHFFFAOYSA-N
-rxn:2:130655:154111,CCC(NC1CCSc2ccc(-c3ccnc(OC4CC4)c3)cc21)c1cnc(N2CCCCCC2)cc1C,YXYCYUQPFSFDFC-UHFFFAOYSA-N
-rxn:2:131493:126600,Cc1ccc(C(C)Nc2c3c(nn2C2CCN(C)CC2)CC2CC32)c(OS(=O)(=O)F)c1,KYRAQGOFDUIDQR-UHFFFAOYSA-N
-rxn:2:131645:84594,CC(C)C1CCN(C2CC2)CC1NC1CCC(N(C)C(C)(C)C)CC1,BCFXLXRGKUZWRB-UHFFFAOYSA-N
-rxn:2:132288:149807,CCCOC1CCCN(C2CCCCC2NC(c2ccc(-c3nc4nc[nH]c4c(=O)[nH]3)cc2)C(C)C)C1,VFDFLVZXYRRAQG-UHFFFAOYSA-N
-rxn:2:132339:126600,Cc1ccc(C(C)NC2CCN(CCC(C)C)CC2)c(OS(=O)(=O)F)c1,VRKKPPKQVJCWHF-UHFFFAOYSA-N
-rxn:2:132930:141610,CC1CN(C2(CNC(C)c3ccc(S(=O)(=O)[O-])cc3)CCN(C)CC2)C(C)CO1,BULVFKXLFQWIQN-UHFFFAOYSA-M
-rxn:2:133141:126600,Cc1ccc(C(C)NCC2CC2CN2CCC(C)CC2)c(OS(=O)(=O)F)c1,CGVXLDHGOWVNJT-UHFFFAOYSA-N
-rxn:2:133299:126600,Cc1ccc(C(C)NCCN2CCC(N(C)C(C)C)CC2)c(OS(=O)(=O)F)c1,YNHHKWRQCDEBEP-UHFFFAOYSA-N
-rxn:2:133797:149169,CC(C)OCC1CCC(NCC(c2ccc3c(c2)ncn3C2CC2)N(C)C)CC1,UTAHULUXJCZNPZ-UHFFFAOYSA-N
-rxn:2:134221:154590,CCC(NC1CC(c2nccc3c2ccn3C)CN(C)C1)c1cnc(N2CCN(C)CC2)cc1C,WKIRGEZBEVLHBC-UHFFFAOYSA-N
-rxn:2:134837:138622,CCCC(C#CN1CCOCC1)NCC(C)(OC)C(C)C,JUKZDIVEIKNGHT-UHFFFAOYSA-N
-rxn:2:134932:171582,CCCC(C(N[C@H]1CC[C@](C)(F)CC1)c1ccc2c(c1)CCCC2)N1CCCC1,TZRHKILAOCGSJA-SOWCOUMGSA-N
-rxn:2:135043:171582,CCCC(C(Nc1cc(C)ccc1OC1CCC1)c1ccc2c(c1)CCCC2)N1CCCC1,MPIDDQAIKOGVDQ-UHFFFAOYSA-N
-rxn:2:135672:130197,CCC(NCc1cn(C2CCN(C)CC2)nc1C1CC1)c1ccc(N2CCN(C)CC2)nc1C,JOYKEWGZARPRHD-UHFFFAOYSA-N
-rxn:2:136206:141610,CC(NCC(C1C2CC3CC(C2)CC1C3)N(C)C1CC1)c1ccc(S(=O)(=O)[O-])cc1,UTQGEROFCWASDP-UHFFFAOYSA-M
-rxn:2:136378:137722,COc1cc(OC)cc([C@H](C)NC2CCN(CCOS(C)(=O)=O)CC2)c1,LJASDLHLMRBDRR-AWEZNQCLSA-N
-rxn:2:136787:145545,CC(C)n1c(=O)[nH]c2ncc(NCC(O[Si](C)(C)C(C)(C)C)C3CCCC3)cc2c1=O,URBNCPWRYWEFOG-UHFFFAOYSA-N
-rxn:2:136932:140202,CC(NC1CC2CCC(C1)N2C1CCCCC1)c1ccc(OS(C)(=O)=O)cc1,HWVULFGXXHLFBC-UHFFFAOYSA-N
-rxn:2:137038:132245,CC1(C)Cc2ccc(C(C)(C)C)cc2C(N[C@H]2CCCN3CCC[C@@H]23)C1,NBITVTMJUNZSNE-NHNZYLEHSA-N
-rxn:2:137684:126600,Cc1ccc(C(C)NCC2(N3CCC(N(C)C)CC3)CCCC2)c(OS(=O)(=O)F)c1,ATWLCWPTACVOGK-UHFFFAOYSA-N
-rxn:2:139463:143818,Cc1occc1CN(C)CC1CCC(NC(C)CC(c2ccc3[nH]c(=O)[nH]c3c2)N(C)C)CC1,YNHXXSXHYCQMFU-UHFFFAOYSA-N
-rxn:2:140095:139138,CC1(C)C2CCC1(CS(=O)(=O)[O-])C(NOC1CC3CCC1C3)C2,RXKXIDUCERNILC-UHFFFAOYSA-M
-rxn:2:140405:76406,CCC(CNC(c1nccn1C1CC1)C(C)C)N(C)C1CCN(C)CC1,PBAZKABRGBFTEW-UHFFFAOYSA-N
-rxn:2:140793:126600,Cc1ccc(C(C)NCCN(C)CC2CCCN(C)C2)c(OS(=O)(=O)F)c1,PHYDVHUBAAQSEQ-UHFFFAOYSA-N
-rxn:2:141049:154947,CC(NC(CN1CCC(N(C)C)CC1)c1c[nH]c2ccccc12)C1CCc2n[nH]c(C3CC3)c21,PUADOKJITHTWOT-UHFFFAOYSA-N
-rxn:2:141552:126170,CCCC(C(Nc1cncnc1OC1CCC(N(C)C)CC1)c1ccc2c(c1)CCC2)N1CCCC1,ATVRFJGKKNALOO-UHFFFAOYSA-N
-rxn:2:141790:155396,CC(=O)c1ccc(C2C(CSC(C)Nc3cc(C4CCCC4)nn3C(C)C3(C)CC3)C2(F)F)nc1,WJRZMVSKWAGCCL-UHFFFAOYSA-N
-rxn:2:141841:126600,Cc1ccc(C(C)NCCN(C)c2ccc(C3CCCN(C)C3)nn2)c(OS(=O)(=O)F)c1,MDOSSUGDOWAVMV-UHFFFAOYSA-N
-rxn:2:142025:143818,CC(CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)NC(C)c1nc2c(c(N3CCCC3)n1)CCN2C,WIBSQOHOOYRWRX-UHFFFAOYSA-N
-rxn:2:142475:172704,COc1[nH]c2nc(NC(C)c3cncc(C(F)(F)C(=N)SC4CCCC4)c3)nn2c(=O)c1OC(C)C,YZWQNLCLUOBRGF-UHFFFAOYSA-N
-rxn:2:143480:136378,CN(C)C(c1ccc2oc(=O)[nH]c2c1)C1(NC2CCN(CCOS(C)(=O)=O)CC2)CC1,RGMNEGWUBDPBIS-UHFFFAOYSA-N
-rxn:2:145247:126170,CCCC(C(Nc1cnc2cc(OCC3CCCC3)ccc2c1)c1ccc2c(c1)CCC2)N1CCCC1,DRIMJJONRZYXPZ-UHFFFAOYSA-N
-rxn:2:147693:148609,CC(NC(C#CN1CCCCC1)c1ccc2c(c1)CCC2)C(c1ccc2[nH]c(=O)oc2c1)N(C)C,DIOUPERNCWHZEJ-UHFFFAOYSA-N
-rxn:2:149414:171582,CCCC(C(Nc1ccc2c(c1)ncn2C1CCN(C)CC1)c1ccc2c(c1)CCCC2)N1CCCC1,QJTAXLNZXHAGSW-UHFFFAOYSA-N
-rxn:2:150543:77438,CC(CCCO[Si](C)(C)C(C)(C)C)NC1(c2ccc3[nH]c(C4CCC4)nc3c2)CC1,KUKLGPSRXHQRIV-UHFFFAOYSA-N
-rxn:2:153416:87172,CC(CN(C)Cc1ccc2[nH]c(=O)[nH]c2c1)NC(CN(C)C1CCN(C)CC1)c1cccn1C,KOJVBHSHBTVWJH-UHFFFAOYSA-N
-rxn:2:154590:134221,CCC(NC1CC(c2nccc3c2ccn3C)CN(C)C1)c1cnc(N2CCN(C)CC2)cc1C,WKIRGEZBEVLHBC-UHFFFAOYSA-N
-rxn:2:154590:171582,CCCC(C(NC1CC(c2nccc3c2ccn3C)CN(C)C1)c1ccc2c(c1)CCCC2)N1CCCC1,HFLXFOKSVZYWIR-UHFFFAOYSA-N
-rxn:2:154590:73038,CCC(NC1CC(c2nccc3c2ccn3C)CN(C)C1)c1cnc(N2CCN(CC)CC2)cc1C,GCZJPQSMDBFTSF-UHFFFAOYSA-N
-rxn:2:156863:72574,CC1CCC(NC(C)(C)C(c2ccc3[nH]c(=O)[nH]c3c2)N(C)C)C(CN(C)Cc2nccn2C)C1,PBANEFWQXSPKLJ-UHFFFAOYSA-N
-rxn:2:156863:87172,CN1CCC(N(C)CC(NC(C)(C)C(c2ccc3[nH]c(=O)[nH]c3c2)N(C)C)c2cccn2C)CC1,PYTHQRGXMUKBLA-UHFFFAOYSA-N
-rxn:2:158492:87172,CC(CNC(CN(C)C1CCN(C)CC1)c1cccn1C)C(c1ccc2oc(=O)[nH]c2c1)N(C)C,LJVYWAUKVHZENA-UHFFFAOYSA-N
-rxn:2:161325:171582,CCCC(C(Nc1c(OC)cnn1-c1cccnc1C1CC1)c1ccc2c(c1)CCCC2)N1CCCC1,WWEFSLCHHXFQKG-UHFFFAOYSA-N
-rxn:2:165668:130197,CCC(Nc1ccc2c(c1)nc(C1CC1)n2CC1CCC1)c1ccc(N2CCN(C)CC2)nc1C,FDJYYAUIDNMCFM-UHFFFAOYSA-N
-rxn:2:165721:73038,CCC(Nc1c(N2CCCC(C)C2)ccc2scnc12)c1cnc(N2CCN(CC)CC2)cc1C,JSWHOWIMQQFYDR-UHFFFAOYSA-N
-rxn:2:167497:130197,CCC(NC1CN(C)CCC1c1cn(C)c2cccnc12)c1ccc(N2CCN(C)CC2)nc1C,QDKUJOQSVQHFAY-UHFFFAOYSA-N
-rxn:2:167497:134221,CCC(NC1CN(C)CCC1c1cn(C)c2cccnc12)c1cnc(N2CCN(C)CC2)cc1C,WCBKTKGVEBFNPQ-UHFFFAOYSA-N
-rxn:2:168125:73038,CCC(Nc1ccc(COC2CCCC2)c2ncccc12)c1cnc(N2CCN(CC)CC2)cc1C,ZZWQTKXDBKKWTE-UHFFFAOYSA-N
-rxn:2:169635:160741,CCCCSc1nc2[nH]c(=O)cc(NC(C)c3cccc(C(F)(F)C(=N)SC4CCCC4)n3)n2n1,WVFAQGYZWJIXSI-UHFFFAOYSA-N
-rxn:2:66244:123446,CC(C)c1cc(C(C)NCC2(N(C)C)CCC(C(C)(C)C)CC2)ccn1,XEPVSRHNMJNYRI-UHFFFAOYSA-N
-rxn:2:66244:143818,CC(CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)NCC1(N(C)C)CCC(C(C)(C)C)CC1,FJINLZXQYTZLLG-UHFFFAOYSA-N
-rxn:2:66244:78635,CC(C)c1ccc(C(C)NCC2(N(C)C)CCC(C(C)(C)C)CC2)cn1,KOQGEZOHLZLFRR-UHFFFAOYSA-N
-rxn:2:66635:91416,CC1(C)C2CCC1(CS(=O)(=O)F)C(NCC1(F)CCSC1)C2,LEHJHSQLJFLEIU-UHFFFAOYSA-N
-rxn:2:67358:126600,Cc1ccc(C(C)N[C@H](CN(C)C)C2CCCCC2)c(OS(=O)(=O)F)c1,YNMLSXAYGJOWOH-KPMSDPLLSA-N
-rxn:2:67701:81549,CC(CCc1csc(C2CCN(C)CC2)n1)NCCC1C(c2cccnc2)CCN1C,AYWWJDCATZKVDY-UHFFFAOYSA-N
-rxn:2:68020:144237,CC(=O)c1cncc(C2C(CSC(C)NC3(c4c(C)n[nH]c4C)CCN(C)CC3)C2(F)F)c1,TXSNBFWTBOOTHF-UHFFFAOYSA-N
-rxn:2:68145:82250,CCN(C(C)CNC1C[C@@H]2CC[C@@]1(CS(=O)(=O)F)C2(C)C)C1CCN2CCCC1C2,CGHWSKZBIMOGBO-ZMZUOFJGSA-N
-rxn:2:68459:126600,Cc1ccc(C(C)NCC(C)CC2CCCN(C)C2)c(OS(=O)(=O)F)c1,JTFPCTNKZNZIIH-UHFFFAOYSA-N
-rxn:2:68647:126600,Cc1ccc(C(C)NC2CCCN(C3CCN(C)CC3)C2)c(OS(=O)(=O)F)c1,YSPKYKJEJSFTPD-UHFFFAOYSA-N
-rxn:2:68924:89502,CC(C)Oc1[nH]ncc1C(C)NCC(C)C12CC3CC(C1)CC(N(C)C)(C3)C2,WCIRTWSDXGOZSC-UHFFFAOYSA-N
-rxn:2:69033:139138,CC1(C)C2CCC1(CS(=O)(=O)[O-])C(NS(=N)(=O)C1CC1)C2,UTMPLZQTJMNTGO-UHFFFAOYSA-M
-rxn:2:69033:84015,CC1(C)C2CC[C@]1(CS(=O)(=O)[O-])C(NS(=N)(=O)C1CC1)C2,UTMPLZQTJMNTGO-VZSLNLFISA-M
-rxn:2:69035:130197,CCC(Nc1ccc(N2CCC(N(C)C)CC2)cc1OC)c1ccc(N2CCN(C)CC2)nc1C,MCLJEBMNLNLTRI-UHFFFAOYSA-N
-rxn:2:69407:126600,CCN1CCC(NC(C)c2ccc(C)cc2OS(=O)(=O)F)C(N2CCN(C)CC2)C1,YNSKKPOCUJQPGB-UHFFFAOYSA-N
-rxn:2:69429:126170,CCCC(C(Nc1ccnn1C1CCN(CC)CC1)c1ccc2c(c1)CCC2)N1CCCC1,CSXRKCKDEJGTJC-UHFFFAOYSA-N
-rxn:2:69447:70685,CSCC(NC1CC(S(=O)(=O)F)C1)C1C2CC3CC(C2)CC1C3,GLKVKVDXDCOPRD-UHFFFAOYSA-N
-rxn:2:69566:125295,CN(C)C1(CNC2CC(CS(=O)(=O)F)C2)CN2CCC1CC2,ATLSXJVGJZKOSN-UHFFFAOYSA-N
-rxn:2:69566:128441,CN(C)C1(CNC(CCS(=O)(=O)F)C2CC2)CN2CCC1CC2,DJJBTTBPPUKYIY-UHFFFAOYSA-N
-rxn:2:69674:117066,CC(N[C@H]1CC[C@H](CN2CCC(F)(F)C2)CC1)c1ccc(OS(=O)(=O)[O-])cc1,LSWJHOMOJIRBNR-XFBNRCLWSA-M
-rxn:2:70202:74153,CCn1c(C)cc(C(COC2CCC2)Nc2cccnc2N2CCC(N(C)C)CC2)c1C,VYFDULMQYZOYRM-UHFFFAOYSA-N
-rxn:2:70202:93686,CCn1c(C)cc(C(COC2CCC2)Nc2cnccc2N2CCC(N(C)C)CC2)c1C,PMKRCCUXDFCYEZ-UHFFFAOYSA-N
-rxn:2:70629:143818,CC(CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)Nc1oc2c(c1C1CCCC1)C(N(C)C)CCC2,OKOKXMIOBUQOPQ-UHFFFAOYSA-N
-rxn:2:70685:105965,O=S(=O)(F)C1CC(NOCC2C3CC4CC(C3)CC2C4)C1,VZQJKKWILJEGTG-UHFFFAOYSA-N
-rxn:2:70685:99758,COC(C)(CNC1CC(S(=O)(=O)F)C1)CC1C2CC3CC(C2)CC1C3,VJCVPSWWIAWCLE-UHFFFAOYSA-N
-rxn:2:70685:99871,CCSC(CNC1CC(S(=O)(=O)F)C1)C1C2CC3CC(C2)CC1C3,NLELWNZQMRCOOW-UHFFFAOYSA-N
-rxn:2:70855:126170,CCCC(C(Nc1cc(OC2CC2)cnc1C(C)C)c1ccc2c(c1)CCC2)N1CCCC1,NOKVLIJJUUURTN-UHFFFAOYSA-N
-rxn:2:71118:126600,Cc1ccc(C(C)NCC2(S(C)(=O)=O)CCOCC2)c(OS(=O)(=O)F)c1,WPHGGRDXTCNSHP-UHFFFAOYSA-N
-rxn:2:71254:89364,Cc1cc(C(C)(C)C)cc(C)c1C(NC1CCC2CCCc3cccc1c32)C1CCCC1,YTTJLZWPYJJDHN-UHFFFAOYSA-N
-rxn:2:71564:126600,Cc1ccc(C(C)NCCN(C2CCCCC2)C2CCN(C)C2)c(OS(=O)(=O)F)c1,XZFDZBLMKHKRJQ-UHFFFAOYSA-N
-rxn:2:71969:155396,CC(=O)c1ccc(C2C(CSC(C)NC(C3CCCC3)N(C)C)C2(F)F)nc1,OLFUVIOHHACXQE-UHFFFAOYSA-N
-rxn:2:72538:83028,CC(CN1CCC(N(C)C)CC1)NC(COC(C)C)c1cccn1C,WRAMLTMWQPKFLD-UHFFFAOYSA-N
-rxn:2:72637:123472,CC(C)C(NCC(C1CC1)N(C)C1CCN(C)CC1)c1nccn1C,NTDDKZUIMIGDGN-UHFFFAOYSA-N
-rxn:2:73124:70525,CC(=O)c1cncc(C#CCCSC(C)N[C@H](C#CC2CC2)C(C)C)c1,YCBZQNDELJSFHX-LMNIDFBRSA-N
-rxn:2:73164:149169,CCCCCC1CCC(NCC(c2ccc3c(c2)ncn3C2CC2)N(C)C)CC1,WZEQIGHUXFRQAV-UHFFFAOYSA-N
-rxn:2:73305:126600,Cc1ccc(C(C)NCC2(N3CCC(C)C3)CCS(=O)(=O)CC2)c(OS(=O)(=O)F)c1,KOETUCKNEDLZDV-UHFFFAOYSA-N
-rxn:2:73377:110830,CC(C)CSC(=N)C(F)(F)c1ccc(C(C)Nc2n[nH]c(C3CCCCC3)nc2=O)s1,OIZHPXYWSKOZGJ-UHFFFAOYSA-N
-rxn:2:73377:71491,CC(C)CSC(=N)C(F)(F)c1ccc(C(C)Nc2nc(N3CCN(C)CC3)cc(=O)[nH]2)s1,CSHDYBRAYRNKMM-UHFFFAOYSA-N
-rxn:2:73431:139138,CC1(C)C2CCC(CNC3CC4CCC3(CS(=O)(=O)[O-])C4(C)C)C1C2,FSKJVLWMLGBAJV-UHFFFAOYSA-M
-rxn:2:73467:161441,Cc1c(C(C)NC2(C(C3CCN(C)CC3)N(C)C)CC2)cc(-c2ccc3[nH]c(=O)[nH]c3c2)n1C,LOIIXWRCBJRBIB-UHFFFAOYSA-N
-rxn:2:73702:126170,CCCC(C(NC1CC2(CCN(C)CC2)Oc2ccccc21)c1ccc2c(c1)CCC2)N1CCCC1,SRFYNULFAQIURQ-UHFFFAOYSA-N
-rxn:2:74134:117066,CC(NCC(C1CCOC1)N(C)C1CCCN(C)C1)c1ccc(OS(=O)(=O)[O-])cc1,GPISKYGBQALJPO-UHFFFAOYSA-M
-rxn:2:74629:115972,CCC(C)C1(NC2C[C@H]3CC[C@@]2(CS(=O)(=O)F)C3(C)C)CC1,ATNXVOLDRNNANN-MFQJDOPTSA-N
-rxn:2:74647:159817,CC(CN(C)C)Oc1cncc(NC(Oc2ccc3c(c2)SCCCC3=O)C(C)(C)C)n1,YEZIIVXKDPLIKO-UHFFFAOYSA-N
-rxn:2:74747:107213,CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)[O-])C(NC(c1cccs1)C1CCS(=O)(=O)CC1)C2,HETDYFNSWLVISX-CNXCKVANSA-M
-rxn:2:74747:77949,CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)[O-])C(NC1CCC(S(=O)(=O)c3ccccc3)CC1)C2,AAELAOJBRCFSKQ-RPSQOPFQSA-M
-rxn:2:75001:104545,CC(C)CC(C)(CNC1CC2CC1N(C)C2)N1CCCN(C)CC1,KLIIATNUDSBNSR-UHFFFAOYSA-N
-rxn:2:75003:164321,CC(C)C(CN(C)C1CCN(C)CC1)NC(c1ccc(-c2ccc3[nH][nH]c(=O)c3c2)cc1)C(C)C,KVFOTGAEBYYIFB-UHFFFAOYSA-N
-rxn:2:75003:99693,CC(NC(CN(C)C1CCN(C)CC1)C(C)C)c1ccn(C2CC2)n1,VCUPLWUJGWVGCU-UHFFFAOYSA-N
-rxn:2:75073:119754,CCC1C(F)(F)C12CCC(Nc1c3c(nn1CCCN(C)C)CCC3C)CC2,HYXHQLCYBGPEMB-UHFFFAOYSA-N
-rxn:2:75302:139138,COCOc1ccc(C2(NC3CC4CCC3(CS(=O)(=O)[O-])C4(C)C)CC2)nc1,LELQOWQYKDTPIL-UHFFFAOYSA-M
-rxn:2:76014:84748,CC(C)(C)[Si](C)(C)OCC1CC(NC(c2cc(C3CC3)on2)C2CC2)C1,KUIXEUDJJWZMGR-UHFFFAOYSA-N
-rxn:2:76179:170459,CO[C@H]1CC[C@@H](CCCNC2CCC(C)(C)c3ccc(-c4cccc5c4OCC5)cc32)CC1,VISOSZANZWSZOI-PCHQZPNMSA-N
-rxn:2:76406:106445,CCN1CCC(CNC(c2nccn2C2CC2)C(C)C)(N(C)C)CC1,ICFGQRRQTJZAMR-UHFFFAOYSA-N
-rxn:2:76458:74747,CC(C)C1CC(CNC2C[C@H]3CC[C@]2(CS(=O)(=O)[O-])C3(C)C)C1,KZJFWTFISZJFKX-DXLCKIFSSA-M
-rxn:2:76569:120702,CC(C)C1C(F)(F)C12CCC(Nc1ccc(N3CC(N(C)C)C3)nc1)CC2,SSOOPADFRVNQOD-UHFFFAOYSA-N
-rxn:2:77217:126600,Cc1ccc(C(C)NCCN2CCN(C(C)C)CC2)c(OS(=O)(=O)F)c1,DNCCCNYSIJKRAW-UHFFFAOYSA-N
-rxn:2:77235:129883,CC(C)C(N(C)C)C(C)(C)CNC1CCN(C2CCC2)CC1,KBTQVJYDCBRQEC-UHFFFAOYSA-N
-rxn:2:77238:117066,CC(NC1CCCC1N(C)CC1CCC1)c1ccc(OS(=O)(=O)[O-])cc1,RIIGBRVEYXAMGM-UHFFFAOYSA-M
-rxn:2:77400:146538,COc1ccc(C(NCC2(OC)CCOC2(C)C)c2c[nH]c(C(=O)N=CN(C)C)c2)cc1,SALKPIVFKASLIP-UHFFFAOYSA-N
-rxn:2:77442:143973,CCN1C2CC(C2)C1CNC1CCN(C2=NS(=O)(=O)c3ccccc32)CC1,YODHWTZVOKLCQX-UHFFFAOYSA-N
-rxn:2:77649:126170,CCCC(C(Nc1cccnc1OCC1CCN(C)C1)c1ccc2c(c1)CCC2)N1CCCC1,OZBYTVIOHGYWHW-UHFFFAOYSA-N
-rxn:2:77649:79723,CCC(Nc1cccnc1OCC1CCN(C)C1)c1ccc(N2CCN(CC)CC2)nc1C,XLCPWHCDGGDBTA-UHFFFAOYSA-N
-rxn:2:77649:83490,CCCC(C(Nc1cccnc1OCC1CCN(C)C1)c1ccc2c(c1)CCO2)N1CCCC1,ZYXIZJSORNTMCQ-UHFFFAOYSA-N
-rxn:2:77819:171582,CCCC(C(Nc1c(C)ccnc1OC1CC1)c1ccc2c(c1)CCCC2)N1CCCC1,ARGKUEOLWBDDHA-UHFFFAOYSA-N
-rxn:2:78005:144237,CC(=O)c1cncc(C2C(CSC(C)Nc3ccc(N(C)C4CCN(C)CC4)nn3)C2(F)F)c1,ADCOIWKYUMNDTF-UHFFFAOYSA-N
-rxn:2:78883:114498,CCC(CN1CCC(N(C)C)CC1)Nc1c(C2CC2)nc(C2CC2)n1C(C)C,MZGBYDYISAAQHN-UHFFFAOYSA-N
-rxn:2:78949:154391,CC(CCCCn1c(=O)c2nc[nH]c2n(C)c1=O)Nc1c(C2CC2)cnn1C(C)C1CC1(F)F,VOBGEKGLPVWPEU-UHFFFAOYSA-N
-rxn:2:78949:98744,CCCC1(CN(C)C)CCC(Nc2c(C3CC3)cnn2C(C)C2CC2(F)F)CC1,FTWZHAQAMIPARG-UHFFFAOYSA-N
-rxn:2:78973:134589,O=S1(=O)CCN(c2ccc(CNC3CC4CCCC(C3)S4(=O)=O)cn2)CC1,ISCVDWWLVIKKAU-UHFFFAOYSA-N
-rxn:2:79331:147968,CCCCC(/N=c1\ncc2c([nH]1)CC(C)(C)CC2=O)NCC1(CCN(C)C)CC(F)(F)C1,DUEFHKJVMULSMO-UHFFFAOYSA-N
-rxn:2:79331:158751,CC(NCC1(CCN(C)C)CC(F)(F)C1)c1c(-c2ccc3c(c2)OCCO3)cnn(C)c1=O,BQHOAWQRXUSDGM-UHFFFAOYSA-N
-rxn:2:79503:155396,CC(=O)c1ccc(C2C(CSC(C)Nc3c(N4CCCCC4)nn(C)c3C)C2(F)F)nc1,XFAPAQXDFOYAIK-UHFFFAOYSA-N
-rxn:2:79543:126170,CCCC(C(Nc1ccc2c(c1)CCN(C)CC2)c1ccc2c(c1)CCC2)N1CCCC1,DNINNNSZIARFGY-UHFFFAOYSA-N
-rxn:2:79691:126600,Cc1ccc(C(C)NCCN(C)c2ccc(C3CCN(C)CC3)nn2)c(OS(=O)(=O)F)c1,JHYCTKWHDCZMBQ-UHFFFAOYSA-N
-rxn:2:80050:108912,CC(C)CSC(=N)C(F)(F)c1ccc(C(C)NCC(C)(C)N(C)c2n[nH]c(=O)[nH]c2=O)nc1,XGCIXIUOPNCZKY-UHFFFAOYSA-N
-rxn:2:80075:143973,O=S(=O)(CCNC1CCN(C2=NS(=O)(=O)c3ccccc32)CC1)CC1CC1,JQRAWURIWJVNJB-UHFFFAOYSA-N
-rxn:2:80476:118054,CC(NC1CN(CCCN(C)C)C(C)(C)C1)c1ccn(C2CCCC2)n1,QDJFBDAASUSHJH-UHFFFAOYSA-N
-rxn:2:80854:117066,CC(NCC(C)N(C)C1C2CC3CC(C2)CC1C3)c1ccc(OS(=O)(=O)[O-])cc1,ZFJXUTHTRZQOAO-UHFFFAOYSA-M
-rxn:2:81051:134221,CCC(Nc1ccc(N2CCC(C)CC2)nc1OC)c1cnc(N2CCN(C)CC2)cc1C,WEAWYPSZNULWPO-UHFFFAOYSA-N
-rxn:2:81420:126600,Cc1ccc(C(C)NCCN(C2CC2)[C@@H]2CCCN(C)C2)c(OS(=O)(=O)F)c1,USWZJBNOLVMASA-UHUGOGIASA-N
-rxn:2:81447:143973,CS(=O)(=O)c1cccc(C2(CNC3CCN(C4=NS(=O)(=O)c5ccccc54)CC3)CC2)c1,VSCJUXKGQYLODO-UHFFFAOYSA-N
-rxn:2:81667:143818,CC(CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)NC(CN(C)C1CC1)c1ccc2c(c1)OCCO2,GBDONYUZCQHWTC-UHFFFAOYSA-N
-rxn:2:82269:103666,CC(C)CSC(=N)C(F)(F)c1cncc(C(C)NCc2c(C(C)C)n(C)c(=O)[nH]c2=O)c1,CQAXXAYEHNMTHR-UHFFFAOYSA-N
-rxn:2:82269:137863,CC(C)CSC(=N)C(F)(F)c1cccc(C(C)NCc2c(C(C)C)n(C)c(=O)[nH]c2=O)n1,LCNFMCVVVPYXIA-UHFFFAOYSA-N
-rxn:2:82478:143818,CC(CNC(C)CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)Cc1ncc(C2CCCN(C)C2)[nH]1,DPORDXVDCINQKZ-UHFFFAOYSA-N
-rxn:2:83088:143973,Cc1ccccc1C(CCN1CCN(C)CC1)NC1CCN(C2=NS(=O)(=O)c3ccccc32)CC1,JEHBHAVBCUUXTR-UHFFFAOYSA-N
-rxn:2:83222:127669,CC1CCCC(C(NC2CCC3(CC2)COc2ccccc23)C(C)(C)C)C1,RDRMHGOXQGIYNS-UHFFFAOYSA-N
-rxn:2:84015:100568,CC1(C)C2CC[C@]1(CS(=O)(=O)[O-])C(NC13CCN(CC1F)C3)C2,KYKOAJIYMLIWJG-NTUGICLWSA-M
-rxn:2:84795:124533,COCC1C(F)(F)C12CCC(Nc1cn(C)nc1S(=O)(=O)C(C)C)CC2,GMFDJVJOOPNOOG-UHFFFAOYSA-N
-rxn:2:84932:126600,Cc1ccc(C(C)NCCC2CCN(C(C)C)CC2)c(OS(=O)(=O)F)c1,FRNJPQPPXZOHLY-UHFFFAOYSA-N
-rxn:2:85140:126600,Cc1ccc(C(C)NCC(C)COC2CCN(C)CC2)c(OS(=O)(=O)F)c1,CFQQOCXIXKIJBE-UHFFFAOYSA-N
-rxn:2:85242:139138,CC1(C)C2CCC1(CCNC1CC3CCC1(CS(=O)(=O)[O-])C3(C)C)C2,CDUWSYKEHFCGHS-UHFFFAOYSA-M
-rxn:2:85504:91160,Cc1nc(C(NC2CCC(N(C)CCN(C)C)CC2)C(C)C)n(C)n1,LSNVZUJRERUYGL-UHFFFAOYSA-N
-rxn:2:85517:96512,CS(=O)(=O)n1ccc(NC2CC3C(C2)C2CN(C4CC4)CC3C2(F)F)c1,PDEBOGWCVBAZRL-UHFFFAOYSA-N
-rxn:2:85782:67412,CC(C)C(NC1C[C@H]2CC[C@]1(CS(=O)(=O)F)C2(C)C)C1CCC1,KRGMNGCDTBGPFI-YHOLWWCESA-N
-rxn:2:86199:143818,CCC1CCC(N(C)CC(C)NC(C)CC(c2ccc3[nH]c(=O)[nH]c3c2)N(C)C)CC1,WYDWVDDTNUHKHZ-UHFFFAOYSA-N
-rxn:2:86248:143818,CC(C)CN(C)CC1(NC(C)CC(c2ccc3[nH]c(=O)[nH]c3c2)N(C)C)CCCCC1,JOOKVXBYPIPQMW-UHFFFAOYSA-N
-rxn:2:86279:126600,Cc1ccc(C(C)NCCN2CCCC(N(C)C3CC3)C2)c(OS(=O)(=O)F)c1,FATXWIYQBQXJGJ-UHFFFAOYSA-N
-rxn:2:86416:149683,CCCC(NCC1(C(C2CCN(C)CC2)N(C)C)CCC1)c1ccc(-c2ccc3[nH][nH]c(=O)c3c2)cc1,PNULJRRWIQHNMC-UHFFFAOYSA-N
-rxn:2:86416:152541,CC(CC(C)(C)n1[se]c2cccnc2c1=O)NCC1(C(C2CCN(C)CC2)N(C)C)CCC1,PWRVATDLYYXCBV-UHFFFAOYSA-N
-rxn:2:86416:161441,Cc1c(C(C)NCC2(C(C3CCN(C)CC3)N(C)C)CCC2)cc(-c2ccc3[nH]c(=O)[nH]c3c2)n1C,SEQUISLUCBEFST-UHFFFAOYSA-N
-rxn:2:86554:143818,CC1CCC(N(C)C(CNC(C)CC(c2ccc3[nH]c(=O)[nH]c3c2)N(C)C)c2ccncc2)CC1,WZRMEJQOQAMGRB-UHFFFAOYSA-N
-rxn:2:87093:103206,CC(CN(C)C1C2CC3CC(C2)CC1C3)NC1CS(=O)(=O)Oc2ccccc21,RWWPIDKSRPAXPG-UHFFFAOYSA-N
-rxn:2:87534:163868,CO[C@@H]1CC[Si](C)(C)CC[C@@H]1NC(c1cnc2cc3c(cc2c1C)OCO3)C1CC1,ZSMBLNZVCWBTRA-WXFOFVMLSA-N
-rxn:2:87983:139138,CC1(C)C2CCC1(CS(=O)(=O)[O-])C(N[C@H]1COC[C@H]1OCC1CC1)C2,LNJUMICREJUFEC-GLWSQLFFSA-M
-rxn:2:88329:126600,Cc1ccc(C(C)N[C@@H]2C[C@H]2CN2CCN(C)CC2)c(OS(=O)(=O)F)c1,ZKQGBUCJCULEJR-IGGKNEPZSA-N
-rxn:2:88564:117023,CC(NC1C2(C)CCC3C2(C)COC31S(=O)(=O)[O-])C1CC2CCC1C2,XWRJMHGHVRTSQJ-UHFFFAOYSA-M
-rxn:2:88586:139138,CC1(C)C2CCC1(CS(=O)(=O)[O-])C(NCCC1C[C@H]3CC[C@@H]1C3)C2,XVYKQOXONWDRBV-PBQPPQDWSA-M
-rxn:2:88930:143818,CCC(C)N(C)C1(CNC(C)CC(c2ccc3[nH]c(=O)[nH]c3c2)N(C)C)CCCC1,ZFFKGCAHRMNSDJ-UHFFFAOYSA-N
-rxn:2:89085:139138,CC(C)C1(NC2CC3CCC2(CS(=O)(=O)[O-])C3(C)C)CN2CCC1CC2,JDVPRINOXKYBRX-UHFFFAOYSA-M
-rxn:2:89426:143818,CC(CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)NC(C)(C)C(C1CCCCC1)N(C)C,LCVPICAUXVJSOR-UHFFFAOYSA-N
-rxn:2:90004:121007,Cc1cc(C)c(C(NC2CCCCCC2c2ccc(C(C)(C)C)cc2)C2CCC2)cc1C,RCINZOCRGVKHNW-UHFFFAOYSA-N
-rxn:2:90528:122426,CCC(NC1CN(C)CC1c1ccc2c(c1)CCC2)c1cnc(N2CCOCC2)cc1C,FQJMLEDKNXYEGT-UHFFFAOYSA-N
-rxn:2:90902:134589,O=S1(=O)CCN(c2cc(CNC3CC4CCCC(C3)S4(=O)=O)ccn2)CC1,GIXOUNUQCKRDFY-UHFFFAOYSA-N
-rxn:2:91416:128082,CC1(C)C2CCC1(CS(=O)(=O)F)C(NCC1CS(=O)(=O)C1)C2,XHFKDLQHPCWCPM-UHFFFAOYSA-N
-rxn:2:91416:95622,CC1(C)C2CCC1(CS(=O)(=O)F)C(NOC1CCS(=O)(=O)C1)C2,GVGRDIJHLFSRAR-UHFFFAOYSA-N
-rxn:2:91428:147968,CCCCC(/N=c1\ncc2c([nH]1)CC(C)(C)CC2=O)Nc1cnccc1N(C)C(C)C(C)C,UQJRTXGMCPIDNQ-UHFFFAOYSA-N
-rxn:2:91533:139138,CC(C)C(NC1CC2CCC1(CS(=O)(=O)[O-])C2(C)C)C1CC1,HXBPCYFCWIEFCA-UHFFFAOYSA-M
-rxn:2:91675:110220,CN1C2CCC1CC(CNC1CCC(S(=O)(=O)c3cccs3)CC1)(N(C)CC1CC1)C2,XEOKWGOKAVAZBJ-UHFFFAOYSA-N
-rxn:2:91964:67412,C[C@@H](NC1C[C@H]2CC[C@]1(CS(=O)(=O)F)C2(C)C)C1(C)CC1,NQFROJQPHTWHCD-MCQMVECXSA-N
-rxn:2:92553:95103,CCC(NC[C@@H](OC)C(C)C)C(C)N(C)C1CCOCC1,VNXSAIPGFLETQD-BDVYOWHSSA-N
-rxn:2:92764:139138,CC1CC2(C)CC(NC3CC4CCC3(CS(=O)(=O)[O-])C4(C)C)CC(C)(C1)C2,IFHFJXZKVCMNEM-UHFFFAOYSA-M
-rxn:2:92801:111610,CCC(CN(C)C(C)c1cccs1)NC1(COS(=O)(=O)[O-])CCCC1,SNOWHHCDYSIBIP-UHFFFAOYSA-M
-rxn:2:93198:126600,Cc1ccc(C(C)Nc2nnn(CC3C4CC5CC(C4)CC3C5)n2)c(OS(=O)(=O)F)c1,NIOMGYZTZMJIIY-UHFFFAOYSA-N
-rxn:2:93826:74747,CC1(C)C2CC(NC3C[C@H]4CC[C@]3(CS(=O)(=O)[O-])C4(C)C)C1C2,CZEFLPYKYHYQJZ-WGFQRFMWSA-M
-rxn:2:94006:155334,CCOc1ccc2c(c1)c(C(Nc1cnc(OCC3CCCN(C4CC4)C3)nc1)C1CCC1)cn2C,ZQZQZYHCNZOYRB-UHFFFAOYSA-N
-rxn:2:94393:103403,CCC(C)(CNC(c1c2c(c[nH]c1=O)CCCC2)C(C)C)N(C)C(C)C,FMJCUNFILXWYLH-UHFFFAOYSA-N
-rxn:2:95103:143818,CCC(NC(C)CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)C(C)N(C)C1CCOCC1,FYPSXMZHQFSJHW-UHFFFAOYSA-N
-rxn:2:95212:126600,Cc1ccc(C(C)NC2CCC(N3CCC(c4ccccc4)C3)CC2)c(OS(=O)(=O)F)c1,IQZWEDUDEHPOMX-UHFFFAOYSA-N
-rxn:2:95821:126600,Cc1ccc(C(C)NCC2CCN(C(C)(C)C)CC2)c(OS(=O)(=O)F)c1,JSKONZMKHJDMHZ-UHFFFAOYSA-N
-rxn:2:96994:139138,CC(C)C12CC3CC(CC(NC4CC5CCC4(CS(=O)(=O)[O-])C5(C)C)(C3)C1)C2,ZQSAJNGRJDXQHQ-UHFFFAOYSA-M
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-rxn:1:62052:24906,CC(=O)c1ccc(Cl)c(N2CC(c3cn(-c4nc5c(=N)n6cnc5n4C4OC(COP(=O)(O)OP(=O)(O)OCC5OC6C(O)C5O)C(O)C4O)nn3)CC2=O)c1,KWPZDFLWJDGZOT-UHFFFAOYSA-N
-rxn:1:62052:25433,CS(=O)(=O)c1ccc(F)c(N2CC(c3cn(-c4nc5c(=N)n6cnc5n4C4OC(COP(=O)(O)OP(=O)(O)OCC5OC6C(O)C5O)C(O)C4O)nn3)CC2=O)c1,MWPBVOBUSJZRPS-UHFFFAOYSA-N
-rxn:1:62052:29719,N=c1c2nc(-n3cc(-c4cccc(C(=O)N5CC(F)(F)C5)c4)nn3)n3c2ncn1C1OC(COP(=O)(O)OP(=O)(O)OCC2OC3C(O)C2O)C(O)C1O,DLERZWKLXXXNQI-UHFFFAOYSA-N
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-rxn:1:62271:10543,O=C(CS(=O)Cc1cn(-c2nc3c4ncnc3n2C2OC(COP(=O)(OP(=O)(O)O)OCC3OC(N4)C(O)C3O)C(O)C2O)nn1)c1ccc(F)cc1,JIAQBLRALSLWOS-UHFFFAOYSA-N
-rxn:1:62271:10561,O=C(CS(=O)Cc1cn(-c2nc3c4ncnc3n2C2OC(COP(=O)(OP(=O)(O)O)OCC3OC(N4)C(O)C3O)C(O)C2O)nn1)c1ccc(Cl)cc1,DSBDACAXANBTFO-UHFFFAOYSA-N
-rxn:1:62271:10562,O=C(CS(=O)Cc1cn(-c2nc3c4ncnc3n2C2OC(COP(=O)(OP(=O)(O)O)OCC3OC(N4)C(O)C3O)C(O)C2O)nn1)c1ccc(Br)cc1,ZNHJETVNTNEXAC-UHFFFAOYSA-N
-rxn:1:62271:10825,O=C(Nc1cccc(-c2cn(-c3nc4c5ncnc4n3C3OC(COP(=O)(OP(=O)(O)O)OCC4OC(N5)C(O)C4O)C(O)C3O)nn2)c1)c1ccc(Br)cc1,FWEDEPHHZZCGIQ-UHFFFAOYSA-N
-rxn:1:62271:11035,CCC(=NOCc1cn(-c2nc3c4ncnc3n2C2OC(COP(=O)(OP(=O)(O)O)OCC3OC(N4)C(O)C3O)C(O)C2O)nn1)c1ccc(Cl)cc1,JIVYINXBKKOLRY-UHFFFAOYSA-N
-rxn:1:62271:12334,O=C(Nc1ccc(-c2cn(-c3nc4c5ncnc4n3C3OC(COP(=O)(OP(=O)(O)O)OCC4OC(N5)C(O)C4O)C(O)C3O)nn2)cc1)c1ccc(Cl)cc1,HDAXJMUGVXQPSL-UHFFFAOYSA-N
-rxn:1:62271:12661,CN(Cc1ccncc1)C(=O)c1ccc(-c2cn(-c3nc4c5ncnc4n3C3OC(COP(=O)(OP(=O)(O)O)OCC4OC(N5)C(O)C4O)C(O)C3O)nn2)cc1,YKHTUYRSHCLQKH-UHFFFAOYSA-N
-rxn:1:62271:12662,CN(C(=O)c1ccc(-c2cn(-c3nc4c5ncnc4n3C3OC(COP(=O)(OP(=O)(O)O)OCC4OC(N5)C(O)C4O)C(O)C3O)nn2)cc1)c1ccc(Br)cn1,SENCMNSMQLURPY-UHFFFAOYSA-N
-rxn:1:62271:13037,CC(c1cccnc1)N(C)C(=O)c1ccc(-c2cn(-c3nc4c5ncnc4n3C3OC(COP(=O)(OP(=O)(O)O)OCC4OC(N5)C(O)C4O)C(O)C3O)nn2)cc1,DLEBFHBFHAYVLQ-UHFFFAOYSA-N
-rxn:1:62271:13403,O=C(Nc1ccc(F)cc1)c1ccc(-c2cn(-c3nc4c5ncnc4n3C3OC(COP(=O)(OP(=O)(O)O)OCC4OC(N5)C(O)C4O)C(O)C3O)nn2)cc1,DAUPOFXXZUHJEH-UHFFFAOYSA-N
-rxn:1:62271:13445,COc1ccc(N(C)C(=O)c2ccc(-c3cn(-c4nc5c6ncnc5n4C4OC(COP(=O)(OP(=O)(O)O)OCC5OC(N6)C(O)C5O)C(O)C4O)nn3)cc2)cc1,QNLDKUJQKBFJFS-UHFFFAOYSA-N
-rxn:1:62271:1467,O=C(Nc1cccc(F)c1C(=O)O)c1cn(-c2nc3c4ncnc3n2C2OC(COP(=O)(OP(=O)(O)O)OCC3OC(N4)C(O)C3O)C(O)C2O)nn1,VNAVGVWAPXVRSA-UHFFFAOYSA-N
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-rxn:1:62271:1860,CN(C)C(=O)C(C)(O)c1cn(-c2nc3c4ncnc3n2C2OC(COP(=O)(OP(=O)(O)O)OCC3OC(N4)C(O)C3O)C(O)C2O)nn1,NFNYQSUBMGSROU-UHFFFAOYSA-N
-rxn:1:62271:24198,O=C1CC(c2cn(-c3nc4c5ncnc4n3C3OC(COP(=O)(OP(=O)(O)O)OCC4OC(N5)C(O)C4O)C(O)C3O)nn2)CN1CC(F)(F)F,RHFQERNRRVNPPK-UHFFFAOYSA-N
-rxn:1:62271:24204,CC(c1cn(-c2nc3c4ncnc3n2C2OC(COP(=O)(OP(=O)(O)O)OCC3OC(N4)C(O)C3O)C(O)C2O)nn1)N1CCC(F)(F)C1,VIIDXRKXCBYPCL-UHFFFAOYSA-N
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-rxn:1:62271:36725,CN(C)C(=O)c1ccc(-c2cccc(-c3cn(-c4nc5c6ncnc5n4C4OC(COP(=O)(OP(=O)(O)O)OCC5OC(N6)C(O)C5O)C(O)C4O)nn3)c2F)cc1,HOJLWEDYAXBDEO-UHFFFAOYSA-N
-rxn:1:62271:36814,CN(C)C(=O)c1ccc(F)c(-c2ccccc2-c2cn(-c3nc4c5ncnc4n3C3OC(COP(=O)(OP(=O)(O)O)OCC4OC(N5)C(O)C4O)C(O)C3O)nn2)c1,IONPEKZJYWORJS-UHFFFAOYSA-N
-rxn:1:62271:37955,NC(=NO)C(F)(F)c1ccc(-c2cn(-c3nc4c5ncnc4n3C3OC(COP(=O)(OP(=O)(O)O)OCC4OC(N5)C(O)C4O)C(O)C3O)nn2)cc1,CBSMJJDIQBWGCU-UHFFFAOYSA-N
-rxn:1:62271:38040,O=[N+]([O-])c1cccc2[nH]c(C(F)(F)c3ccc(-c4cn(-c5nc6c7ncnc6n5C5OC(COP(=O)(OP(=O)(O)O)OCC6OC(N7)C(O)C6O)C(O)C5O)nn4)cc3)nc12,VUBNIFPTQJMHNA-UHFFFAOYSA-N
-rxn:1:62271:38109,Cn1cnnc1SC(=N)C(F)(F)c1cccc(-c2cn(-c3nc4c5ncnc4n3C3OC(COP(=O)(OP(=O)(O)O)OCC4OC(N5)C(O)C4O)C(O)C3O)nn2)c1,SINUWGQEEWPRPY-UHFFFAOYSA-N
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-rxn:2:116994:124978,CN(CC1CCCCCC1NC1CCC[C@H](c2ccccc2)C1)CC(C)(C)C,LOKBYHRYCDHDKM-XKBRHGKYSA-N
-rxn:2:117000:126170,CCCC(C(NC1CCN(c2ccccc2C)CC1)c1ccc2c(c1)CCC2)N1CCCC1,HKLXONJJLCDSRE-UHFFFAOYSA-N
-rxn:2:117417:139138,CC(NC1CC2CCC1(CS(=O)(=O)[O-])C2(C)C)c1cccn1C1C2CC3CC(C2)CC1C3,QPZYYYOGTGDRTR-UHFFFAOYSA-M
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-rxn:2:117825:141711,CCOCC1CCCN(c2ncccc2NC(CC)c2cnc(N3CCN(CC)CC3)c(C)c2)C1,CEYPLSUZQPNOJZ-UHFFFAOYSA-N
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-rxn:2:117955:132769,CCC(NC(c1ccccc1)c1ccc(OC)cc1)C(N1CCCN(C)CC1)C(C)(C)C,SYYBJSHWFGZAQO-UHFFFAOYSA-N
-rxn:2:118714:154180,CS(=O)(=O)C1CCN(CCNC2COc3cc(-c4cnn(S(C)(=O)=O)c4)ccc32)CC1,CQEJXIUNOOICAT-UHFFFAOYSA-N
-rxn:2:120285:126170,CCCC(C(Nc1ccccc1CN1CCC(CC)CC1)c1ccc2c(c1)CCC2)N1CCCC1,YEWZMZJTVROKCS-UHFFFAOYSA-N
-rxn:2:120404:105145,CCOCC1CCN(c2nc(NC(CC)c3ccc(N4CCC5(CC4)CC5)cc3)cs2)CC1,YWBPMDPYDVOUIF-UHFFFAOYSA-N
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-rxn:2:120777:166079,CC(NCC1CN1c1ccc2c(c1)OCO2)c1ccccc1OC1CS(=O)(=O)CC1N(C)C,OPKYJAUTDNNQLT-UHFFFAOYSA-N
-rxn:2:120784:122030,CCOCC1CCN(c2ccccc2NC(c2ccn(CC3CCC3)n2)C(C)C)CC1,VDDNHJNWQVUPQV-UHFFFAOYSA-N
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-rxn:2:122755:170704,CCC(CC)CN1CCCC(NC2CCCc3c(-c4cccc(C5CC5)c4)cccc32)C1,LJTCFUVFHZROCA-UHFFFAOYSA-N
-rxn:2:122755:171575,CCC(CC)CN1CCCC(NC2CCCc3ccc(-c4ccccc4C4CC4)cc32)C1,NWMIBXBVWVRFEK-UHFFFAOYSA-N
-rxn:2:122755:172152,CCC(CC)CN1CCCC(NC2CCc3ccc(-c4c5c(cc6c4CCC6)CCC5)cc32)C1,IQOUXDJCODFTBV-UHFFFAOYSA-N
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-rxn:2:123036:147693,CCOc1nc(N2CCC(C)(C)CC2)ccc1NC(C#CN1CCCCC1)c1ccc2c(c1)CCC2,LLLKQJGMCQKGEZ-UHFFFAOYSA-N
-rxn:2:123036:164110,CCOc1nc(N2CCC(C)(C)CC2)ccc1NC(c1ccc(-c2cnccc2OC)cc1)C(C)C1CC1,HUJIMDVGHDCCPI-UHFFFAOYSA-N
-rxn:2:123036:172083,CCOc1nc(N2CCC(C)(C)CC2)ccc1NC(c1ccccc1)c1ccc(N2CCCCCC2)nc1C,FKXAHENCIZCTTA-UHFFFAOYSA-N
-rxn:2:123405:132413,COC1CN(c2ccc(NC(C#CN3CCOCC3)c3cccc(C)c3)cc2)CC1OC,LAMLAJWUPKROKA-UHFFFAOYSA-N
-rxn:2:123880:138753,CC(C)c1ccc(C(COC2CCC2)NC2CC3(CCC(C)(C)CC3)C2)cc1,OHHIHIWFBGOSRE-UHFFFAOYSA-N
-rxn:2:124085:171582,CCCC(C(Nc1cc(OC)cc(N2CCOCC2)c1)c1ccc2c(c1)CCCC2)N1CCCC1,BTHJJXXBCBWBGZ-UHFFFAOYSA-N
-rxn:2:124113:126170,CCCC(C(Nc1ccc2c(c1)N(CC)CCC2)c1ccc2c(c1)CCC2)N1CCCC1,LFGDROQZAXNMRU-UHFFFAOYSA-N
-rxn:2:124113:171582,CCCC(C(Nc1ccc2c(c1)N(CC)CCC2)c1ccc2c(c1)CCCC2)N1CCCC1,OKWSTRQCRVIQSB-UHFFFAOYSA-N
-rxn:2:125231:171582,CCCC(C(Nc1ccc2c(c1)CN(C)CC2)c1ccc2c(c1)CCCC2)N1CCCC1,XWMFEHZDIOKJRY-UHFFFAOYSA-N
-rxn:2:125329:172373,CCCC(C(NC[C@@]12CCCN1C[C@H](OC)C2)c1ccc2ccccc2c1)N1CCCC1,FYVNNDHTZRZVHD-INOUNFLJSA-N
-rxn:2:125690:171570,CCOCC(C)N1CCC(NC2CCC(c3ccc(-c4ccc5c(c4)CCO5)cc3)CC2)CC1,QGLCHUZOTQQCOZ-UHFFFAOYSA-N
-rxn:2:125693:168561,COc1ccc(C(N(C)C)C(C)(C)NC(C#CN2CCCCC2)c2ccc3[nH]c(=O)[nH]c3c2)cc1,GASQQTAOBJGATD-UHFFFAOYSA-N
-rxn:2:125999:139138,COc1ccc(C)cc1C1CCN(CCNC2CC3CCC2(CS(=O)(=O)[O-])C3(C)C)C1,SNQWLBHAWYDICI-UHFFFAOYSA-M
-rxn:2:126076:139138,CN(C)C(c1cccnc1)C1CCC(NC2CC3CCC2(CS(=O)(=O)[O-])C3(C)C)CC1,UZGKFIPZGSKQFC-UHFFFAOYSA-M
-rxn:2:126625:133895,CC(C)(C)[Si](C)(C)OCC(NCc1c(C2CCC2)n[nH]c1C1CCCC1)c1ccccn1,QHNDFHZQAGPWPE-UHFFFAOYSA-N
-rxn:2:127012:137294,CCCCC1CCC(c2cc(NC(CC)c3ccc(N4CCC(F)CC4)cc3)ncn2)CC1,KGYFCTWLBZKCJQ-UHFFFAOYSA-N
-rxn:2:127150:168837,Cc1cc2c(cc1-c1cnn(S(C)(=O)=O)c1)C(NCC1CCC(CN(C)C)CC1)CC2,OXFMCBPHOZHZCW-UHFFFAOYSA-N
-rxn:2:127968:171388,CCC1(O[Si](C)(C)C(C)(C)C)CCC(NCC(c2cc[nH]c2)c2ccc3[nH]c(=O)[nH]c3c2)CC1,QYEOYEUVQLUNCC-UHFFFAOYSA-N
-rxn:2:128199:139138,COc1cccc(C2(CNC3CC4CCC3(CS(=O)(=O)[O-])C4(C)C)COCCN2C)c1,OFFVRTNAVOVDTD-UHFFFAOYSA-M
-rxn:2:128822:153662,CCc1ccc(C(NCCOC2CCS(=O)(=O)C2)C23CN4CN(CN(C4)C2)C3)cc1,MANPUWDSESHNKM-UHFFFAOYSA-N
-rxn:2:129343:125295,CN1CC2CCCC(NC3CC(CS(=O)(=O)F)C3)(C1)C2(F)F,XPHAKYYBLVBBBL-UHFFFAOYSA-N
-rxn:2:130059:130197,CCOCc1cc(N2CCC(NC(CC)c3ccc(N4CCN(C)CC4)nc3C)CC2)ncn1,OGCMTPPENSEXSO-UHFFFAOYSA-N
-rxn:2:130329:171582,CCCC(C(Nc1ccc2c(c1)N(CCC)CC2)c1ccc2c(c1)CCCC2)N1CCCC1,PECHRKXWQPGTNI-UHFFFAOYSA-N
-rxn:2:130519:171582,CCCC(C(NC1CN(C)Cc2ccc(C)cc21)c1ccc2c(c1)CCCC2)N1CCCC1,KMUNWBFFDWKBTP-UHFFFAOYSA-N
-rxn:2:131120:171582,CCCC(C(Nc1cnc(OC2CCCN(C3CC3)C2)nc1)c1ccc2c(c1)CCCC2)N1CCCC1,WWPHVEXPDURULW-UHFFFAOYSA-N
-rxn:2:131170:139138,COc1cccc(OC)c1[C@@H](NC1CC2CCC1(CS(=O)(=O)[O-])C2(C)C)C1CC1,MPEVZZMGTNVKQA-JNCASGANSA-M
-rxn:2:131357:144237,CC(=O)c1cncc(C2C(CSC(C)Nc3ccc(C4CCN(C)CC4)nc3OC(C)C)C2(F)F)c1,WTWSSYDKAONFGF-UHFFFAOYSA-N
-rxn:2:131772:139138,CC(NC1CC2CCC1(CS(=O)(=O)[O-])C2(C)C)c1cccc(OC2CCCC2)c1,OAYBIJGXXTZLQH-UHFFFAOYSA-M
-rxn:2:132133:171582,CCCC(C(Nc1ccc(C2CCC(CC)CC2)cc1)c1ccc2c(c1)CCCC2)N1CCCC1,SMPPSDREMVCNOS-UHFFFAOYSA-N
-rxn:2:132392:126170,CCCC(C(Nc1ccc2c(c1)CN(C)CCC2)c1ccc2c(c1)CCC2)N1CCCC1,XXUZBMBGPGDSLR-UHFFFAOYSA-N
-rxn:2:132684:126600,Cc1ccc(C(C)NC2COCCC2N2CCCC2)c(OS(=O)(=O)F)c1,FBEIFPCJQSSMRH-UHFFFAOYSA-N
-rxn:2:132989:126600,Cc1ccc(C(C)NCC2CCN(c3ccc(C(C)(C)C)nn3)CC2)c(OS(=O)(=O)F)c1,SRIQCCLPPBWWLW-UHFFFAOYSA-N
-rxn:2:133138:132608,COc1ccc2c(c1)C(Nc1c(C3CCC3)c(C3CC3)nn1C1CCC1)CCC2(C)C,OKEJCEUMYRZSRF-UHFFFAOYSA-N
-rxn:2:133138:138576,COc1ccc2c(c1)C(Nc1c(C3CCC3)c(C3CCC3)nn1C1CC1)CCC2(C)C,IVAVVVRBWGQKBZ-UHFFFAOYSA-N
-rxn:2:133419:168837,Cc1cc2c(cc1-c1cnn(S(C)(=O)=O)c1)C(NC(c1n[nH]c(=O)[nH]1)C1C3CC4CC(C3)CC1C4)CC2,IKTDOVFFOHECSB-UHFFFAOYSA-N
-rxn:2:133629:159903,CCOC1CCC(N2CCC(NC(c3ccc4c(c3)CCO4)c3ccccc3C)CC2)CC1,CGYJXPCJMNGYQJ-UHFFFAOYSA-N
-rxn:2:134212:130197,CCOCC1CCN(c2ccc(NC(CC)c3ccc(N4CCN(C)CC4)nc3C)cn2)C1,VDVRIGZJLWYNDT-UHFFFAOYSA-N
-rxn:2:134221:165509,CCC(Nc1ccc2c(c1)c(OCC1CCCO1)nn2C)c1cnc(N2CCN(C)CC2)cc1C,IADWBLKUVZGTRP-UHFFFAOYSA-N
-rxn:2:134642:126170,CCCC(C(NC1CCN(c2ccccc2CC)CC1)c1ccc2c(c1)CCC2)N1CCCC1,ZNTCZJWRGGRKLK-UHFFFAOYSA-N
-rxn:2:134986:126600,Cc1ccc(C(C)NC2CCC(Cc3nnc(C)n3C3CC3)CC2)c(OS(=O)(=O)F)c1,NXBNAJZHXRZXSU-UHFFFAOYSA-N
-rxn:2:135011:85031,CCOC1CCCCCCC1NC(c1ccccc1C1CC1)C1(C)CC1,MYJVCEYCBKUIEC-UHFFFAOYSA-N
-rxn:2:135355:139138,CCC12CC3CC(C1)CC(CC(C)NC1CC4CCC1(CS(=O)(=O)[O-])C4(C)C)(C3)C2,NTLKUGLJRGEEHC-UHFFFAOYSA-M
-rxn:2:135604:126170,CCCC(C(NCc1ccc(C2CC2)c(OC)n1)c1ccc2c(c1)CCC2)N1CCCC1,OBRZBQTUVHTGGU-UHFFFAOYSA-N
-rxn:2:135975:171582,CCCC(C(Nc1cccnc1N1CCN(CC)CC1)c1ccc2c(c1)CCCC2)N1CCCC1,HFBBUJMRGIFFDN-UHFFFAOYSA-N
-rxn:2:136167:126600,CCc1nc(N2CCC(NC(C)c3ccc(C)cc3OS(=O)(=O)F)CC2)nc2c1CCO2,MWDXVZRAFBXYSA-UHFFFAOYSA-N
-rxn:2:136446:139138,CC(C)(C)N1CC2CCC(C1)C2NC1CC2CCC1(CS(=O)(=O)[O-])C2(C)C,SGNQGZFYPODLDQ-UHFFFAOYSA-M
-rxn:2:136635:124940,CC(C)N1CCC(NC2COc3c2cccc3S(C)(=O)=O)CC1c1ccc2c(c1)OCO2,AEVGZRPHNWFTSZ-UHFFFAOYSA-N
-rxn:2:136737:73038,CCOCC1CCN(c2ccc(NC(CC)c3cnc(N4CCN(CC)CC4)cc3C)cc2)CC1,XELFQFXPOMQNHH-UHFFFAOYSA-N
-rxn:2:136737:82872,CCOCC1CCN(c2ccc(NC3CCC(OCC4CC4)CC3)cc2)CC1,ZWVQWAJGXCZLFH-UHFFFAOYSA-N
-rxn:2:136954:130958,CCC(C)(CNC1c2ccccc2CC1CC1CCCC1)OC1CCC1,FJMQEGSNRIHJJE-UHFFFAOYSA-N
-rxn:2:136954:171550,CCC(C)(CNC1CCC(c2ccc(-c3cccc4c3OCO4)cc2)CC1)OC1CCC1,OCTWYKBQKNSWAX-UHFFFAOYSA-N
-rxn:2:137127:126170,CCCC(C(Nc1ncccc1OCC1CCOCC1)c1ccc2c(c1)CCC2)N1CCCC1,KWRDWDIHERGEOW-UHFFFAOYSA-N
-rxn:2:137262:126170,CCCC(C(Nc1cnn(COC2CCCC2)c1)c1ccc2c(c1)CCC2)N1CCCC1,MBVPIKIBYLBPDA-UHFFFAOYSA-N
-rxn:2:137559:139138,Cc1cccc(OC2CCOCC2)c1CNC1CC2CCC1(CS(=O)(=O)[O-])C2(C)C,QOSOISIPDBPTLP-UHFFFAOYSA-M
-rxn:2:137630:75862,COCc1cccc(N2CCC(NC(COC3CCCC3)c3ccc4c(c3)OCO4)CC2)c1,KCZGUNZVSQHCCF-UHFFFAOYSA-N
-rxn:2:138431:155396,CC(=O)c1ccc(C2C(CSC(C)NCc3cn(CC4CCCC4)c(=O)[nH]c3=O)C2(F)F)nc1,NYAUFKLUWCEIQE-UHFFFAOYSA-N
-rxn:2:138487:168561,O=c1[nH]c2ccc(C(C#CN3CCCCC3)Nc3ccc(COCC4CCCCO4)cn3)cc2[nH]1,BJYAMSSKPICKQJ-UHFFFAOYSA-N
-rxn:2:139096:155396,CC(=O)c1ccc(C2C(CSC(C)Nc3[nH]nc4c3CN(CCN(C)C)CC4)C2(F)F)nc1,HOZKKAZBFXHULJ-UHFFFAOYSA-N
-rxn:2:139182:139138,CN(C1CCOCC1)C(CNC1CC2CCC1(CS(=O)(=O)[O-])C2(C)C)c1ccco1,SKAGIORCTWAJPP-UHFFFAOYSA-M
-rxn:2:140087:111979,CCC(Nc1cn(CC(C)OC)c(=O)[nH]c1=O)C12CC3CC(CC(C3)C1)C2,BELSFZNRNATULX-UHFFFAOYSA-N
-rxn:2:140107:106594,CC(C1CCCC1)n1nc(C2CCC2)cc1CNC1CC2(F)CCC1(C)C2(C)C,XNCQHPHMBAGCDF-UHFFFAOYSA-N
-rxn:2:140181:143818,CC(CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)NC1CCC(C(N(C)C)C(C)(C)C)CC1,KIORXMACRADRHX-UHFFFAOYSA-N
-rxn:2:140371:126170,CCCC(C(NCc1cc2c(s1)CN(C)CC2)c1ccc2c(c1)CCC2)N1CCCC1,BEBNMZJGYNMZEH-UHFFFAOYSA-N
-rxn:2:140909:155396,CC(=O)c1ccc(C2C(CSC(C)Nc3cn(CCN(C)C)c(=O)[nH]c3=O)C2(F)F)nc1,VULRDZNVRWNCJB-UHFFFAOYSA-N
-rxn:2:141144:171582,CCCC(C(NC1CCN(Cc2cccn2C)CC1)c1ccc2c(c1)CCCC2)N1CCCC1,IWHLPARSEMPECC-UHFFFAOYSA-N
-rxn:2:141435:168232,CCC(Nc1ccc(N2CCC(C)C2)nc1OCC(C)C)c1ccc(N2CCc3ccccc3C2)nc1C,SNKDTLYLMAKDAP-UHFFFAOYSA-N
-rxn:2:141435:169230,CCC(Nc1ccc(N2CCC(C)C2)nc1OCC(C)C)c1cnc(N2CCCc3ccccc32)cc1C,UNAFZJDLXWBPRZ-UHFFFAOYSA-N
-rxn:2:141699:155396,CC(=O)c1ccc(C2C(CSC(C)NCc3sc(N4CCCN(C)CC4)nc3C)C2(F)F)nc1,UIYXKBLPWHBXLQ-UHFFFAOYSA-N
-rxn:2:142094:162583,COC1C2CC1CN(CCNC(c1ccc(-c3cnn(S(C)(=O)=O)c3)cc1)C1CC1)C2,ZKYLFVBPFMCLFP-UHFFFAOYSA-N
-rxn:2:142475:169615,CCCCSC(=N)C(F)(F)c1ccc2c(c1)C(Nc1nc3[nH]c(OC)c(OC(C)C)c(=O)n3n1)CC2,MBZZXRKXXGLANL-UHFFFAOYSA-N
-rxn:2:147775:126170,CCCC(C(Nc1c2c(nc3c(OC)cccc13)CCCCC2)c1ccc2c(c1)CCC2)N1CCCC1,QEGJAGTWBVXYOJ-UHFFFAOYSA-N
-rxn:2:147801:73038,CCC(NCc1ccc2cc[nH]c2c1N1CCN(C)CC1)c1cnc(N2CCN(CC)CC2)cc1C,NIPIIYXHUWVZQS-UHFFFAOYSA-N
-rxn:2:154590:126170,CCCC(C(NC1CC(c2nccc3c2ccn3C)CN(C)C1)c1ccc2c(c1)CCC2)N1CCCC1,UDFDVTHRKLDRID-UHFFFAOYSA-N
-rxn:2:154914:73038,CCC(Nc1ccc(N2CCN(C)CC2)c2ccncc12)c1cnc(N2CCN(CC)CC2)cc1C,SZKYQAGJCMGHRH-UHFFFAOYSA-N
-rxn:2:156468:172545,CC(C)C(=O)/N=c1\[nH]c2ccc(NC(C)c3ccc(C(F)(F)C(=N)SC4CCCC4)cn3)cc2s1,CQDYLKFEHLFUTL-UHFFFAOYSA-N
-rxn:2:156985:73038,CCC(Nc1ccc(N2CCCOCC2)c2cccnc12)c1cnc(N2CCN(CC)CC2)cc1C,DCFCINVZVWIECQ-UHFFFAOYSA-N
-rxn:2:157582:115389,CCC(C(Nc1ccc2[nH]c3c(c2c1)CN(CC)CC3)c1ccc2c(c1)CCCC2)N1CCCC1,PTXDSGMDHSNIIB-UHFFFAOYSA-N
-rxn:2:158492:73038,CCC(NCC(C)C(c1ccc2oc(=O)[nH]c2c1)N(C)C)c1cnc(N2CCN(CC)CC2)cc1C,NVVKLELTCKTMGT-UHFFFAOYSA-N
-rxn:2:165994:171582,CCCC(C(Nc1c(OC)ccc2[nH]c3c(c12)CCC3)c1ccc2c(c1)CCCC2)N1CCCC1,ADSFOPWEAGBRJD-UHFFFAOYSA-N
-rxn:2:166055:126170,CCCC(C(NC1CC(c2cc3ncccc3n2C)CN(C)C1)c1ccc2c(c1)CCC2)N1CCCC1,DQAYGMUWUQSMML-UHFFFAOYSA-N
-rxn:2:166055:71152,CCOC1CCN(CC(NC2CC(c3cc4ncccc4n3C)CN(C)C2)c2ccccc2)CC1,ZJSYFKIQBGJXMC-UHFFFAOYSA-N
-rxn:2:166503:130197,CCC(NCCCCc1ccc2[nH]c3c(c2c1)CCCC3)c1ccc(N2CCN(C)CC2)nc1C,LDSSBQDQQPYUPU-UHFFFAOYSA-N
-rxn:2:65991:121836,COc1ccc2c(c1)C(Nc1c(C3CCC3)c(C3CC3)nn1C1CCCC1)CC2(C)C,GWLAUBDRXZDLIF-UHFFFAOYSA-N
-rxn:2:66038:110254,CC1CC(C)Oc2cc(C(C)NC3CCC(OS(C)(=O)=O)CC3)ccc2O1,IUISMQCQLSXXHG-UHFFFAOYSA-N
-rxn:2:66344:73038,CCC(Nc1cccnc1OCC1CC(F)C1)c1cnc(N2CCN(CC)CC2)cc1C,RNMAGHQSGFYXNC-UHFFFAOYSA-N
-rxn:2:66407:151262,CCC(NC1c2ccccc2C2CN(C)CCN2c2ncccc21)c1ccc(N2CCN(C)CC2)nc1C,PWMMWDCMWLJBMZ-UHFFFAOYSA-N
-rxn:2:66407:81090,CCC(NC(C)c1ccc(N2CCN(C)CC2)s1)c1ccc(N2CCN(C)CC2)nc1C,OAULZWRAEUZKDO-UHFFFAOYSA-N
-rxn:2:66575:171582,CCCC(C(Nc1cc2c(cc1C)CCN(C)C2)c1ccc2c(c1)CCCC2)N1CCCC1,NNYDSXOZRZBMDI-UHFFFAOYSA-N
-rxn:2:66965:106953,CC(NC(C1CCCCC1)C1CCCCC1)c1ccc(C(C)(C)C)cc1,UWLLMCDXSJVAMV-UHFFFAOYSA-N
-rxn:2:66994:130197,CCOCC1CCCCN1c1ncccc1NC(CC)c1ccc(N2CCN(C)CC2)nc1C,GHDOAEQGCCLYRF-UHFFFAOYSA-N
-rxn:2:67602:141891,Cc1ccc(OCC2CCC2)c(NC(c2ccc(C)c(C(C)(C)C)c2)C2CCCCC2)c1,BOAASZITWDJCHJ-UHFFFAOYSA-N
-rxn:2:68426:126170,CCCC(C(Nc1ncn(COC2CCCC2)n1)c1ccc2c(c1)CCC2)N1CCCC1,OJVAIDROGZKPCB-UHFFFAOYSA-N
-rxn:2:68612:171582,CCCC(C(Nc1c2c(nn1CC)CCCC2)c1ccc2c(c1)CCCC2)N1CCCC1,KJCSUGNBFNDIGU-UHFFFAOYSA-N
-rxn:2:68813:71294,CON(C)C(CNC(C)c1c[nH]c(=O)[nH]c1=O)C12CC3CC(CC(C3)C1)C2,NIAZUCGFHXVOLC-UHFFFAOYSA-N
-rxn:2:69256:121836,COc1ccc2c(c1)C(Nc1c(C3CC3)c(C3CCC3)nn1C1CCCC1)CC2(C)C,QIHQLFGYPDIYMX-UHFFFAOYSA-N
-rxn:2:69415:106970,CC(C)c1cc(NC2CCN(c3cc(N4CCCC4)ncn3)CC2)ccc1OS(=O)(=O)F,KIZNCXJVQMTXHC-UHFFFAOYSA-N
-rxn:2:69415:119453,CC(C)c1cc(NC2CCN(c3cc(C4CCOCC4)ncn3)CC2)ccc1OS(=O)(=O)F,QHKJLOCZCRSNNU-UHFFFAOYSA-N
-rxn:2:69415:122188,CC(C)c1cc(NC2CCN(c3ncc(C4CCOCC4)cn3)CC2)ccc1OS(=O)(=O)F,CIVWVELJDQEZKU-UHFFFAOYSA-N
-rxn:2:69415:68624,CC(C)c1cc(NC2CCN(c3cc(C4CCCC4)ncn3)CC2)ccc1OS(=O)(=O)F,FTOWWXPIOFJVCW-UHFFFAOYSA-N
-rxn:2:69429:112215,CCC(C(Nc1ccnn1C1CCN(CC)CC1)c1ccc2c(c1)CCC2)N1CCCC1,FIRVWGYMONAVIU-UHFFFAOYSA-N
-rxn:2:69566:87271,CCOS(=O)(=O)C[C@]12CC[C@H](CC1NCC1(N(C)C)CN3CCC1CC3)C2(C)C,HRRSVIHYNRATEP-JJZDCNPZSA-N
-rxn:2:70018:79402,CN1CCC(c2ccnc(C3CCC(NCc4cccc(CN=S(C)(C)=O)c4)CC3)n2)C1,BHUGENCJXJNACR-UHFFFAOYSA-N
-rxn:2:70359:88302,CC(C)(C)OC1CC(NC(c2ccc(C(C)(C)C)cc2)C2CCCC2)C1,XTKOOKOSLFXSGH-UHFFFAOYSA-N
-rxn:2:71645:109946,CCC(C(NCC1(OC)CCS(=O)(=O)C1)c1ccccc1)N1CCOCC1,OANRVIRREHGBOI-UHFFFAOYSA-N
-rxn:2:71873:133681,COc1cccc2c1C(Nc1c(C3CC3)c(C3CC3)nn1C1CCCCC1)CC2(C)C,USGKBTUVFDMQAW-UHFFFAOYSA-N
-rxn:2:71901:110033,CCOCC1CCCN1c1ncccc1NC(C)c1sc(N2CCN(CC)CC2)nc1C1CC1,ISXJDVBJZJNBKO-UHFFFAOYSA-N
-rxn:2:71901:73038,CCOCC1CCCN1c1ncccc1NC(CC)c1cnc(N2CCN(CC)CC2)cc1C,FCJSNAWFTLNUDG-UHFFFAOYSA-N
-rxn:2:71954:141176,CCOCC1CCCN(c2nc(NC(c3cccc(CN4CCN(C)CC4)c3)C3CCC3)cs2)C1,SGDUFPVLNMKGEH-UHFFFAOYSA-N
-rxn:2:72120:143109,CC(C)CC(Nc1[nH]nc2c1CN(CCCN(C)C)CC2)c1ccc2c(c1)nc(C1CC1)n2C,UHTOPYDZXFIIFQ-UHFFFAOYSA-N
-rxn:2:72765:144237,CC(=O)c1cncc(C2C(CSC(C)Nc3cn(COC(C)C)c(=O)[nH]c3=O)C2(F)F)c1,HXISEIRAKSAQRT-UHFFFAOYSA-N
-rxn:2:73038:111216,CCC(Nc1ncccc1COCC1CCOCC1)c1cnc(N2CCN(CC)CC2)cc1C,WHLXHUQUFJTQBD-UHFFFAOYSA-N
-rxn:2:73080:79402,COc1ccc(NC2CCC(c3nccc(C4CCN(C)C4)n3)CC2)cc1OS(=O)(=O)F,YBOANWJBGDBJHI-UHFFFAOYSA-N
-rxn:2:73435:171582,CCCC(C(Nc1cc2c(cc1OCC1CC1)OCO2)c1ccc2c(c1)CCCC2)N1CCCC1,IHKJWCBBXXFSEF-UHFFFAOYSA-N
-rxn:2:73437:83198,COS(=O)(=O)C[C@@]12CC[C@@H](CC1NCC1(F)CN3CCC1CC3)C2(C)C,KNIQKIZAYYSHHG-YQBZFSLMSA-N
-rxn:2:73519:112351,CC(C1CCC1)n1nc(C2CC2)cc1NC(COCC1CCOC1)c1cccn1C,OLCNIPHIFQDEGO-UHFFFAOYSA-N
-rxn:2:73537:114642,CCS(=O)(=O)OC[C@H]1CCC(NCC(c2ccsc2)N2CC3CCC2C3)C1,WNFQSODPCFFFBZ-OHJGJUJKSA-N
-rxn:2:73538:77973,CC#CCC(NC1CCC(C2CCC(c3ccc(C)cc3)CC2)CC1)c1ccccc1C,FEOBGPNFIIYTSF-UHFFFAOYSA-N
-rxn:2:73568:160422,CN1CCC(N(C)Cc2ccnc(NC3CCN(c4ccc(S(C)(=O)=O)cc4)CC3)c2)CC1,LSUWXQZDDSCEHV-UHFFFAOYSA-N
-rxn:2:73700:83860,CN(C1CCC(Nc2cccc(OS(=O)(=O)F)c2)CC1)C1CCS(=O)(=O)C1,XABAVUUWULMQOA-UHFFFAOYSA-N
-rxn:2:74006:125295,O=S(=O)(F)CC1CC(Nc2cc(COC34CC5CC(CC(C5)C3)C4)[nH]n2)C1,JDMDLGCADKRQFI-UHFFFAOYSA-N
-rxn:2:74601:147839,COC1CCCCCCC1NC(c1ccc(C(C)(C)C)cc1)c1ccc2c(c1)OCCO2,JNJKRYRKWMTMIN-UHFFFAOYSA-N
-rxn:2:75130:122026,CCOCC1CCN(c2ncccc2NC(CC)c2ccc(N3CCCCC3)nc2C)CC1,VNOJKTFGPWFJEQ-UHFFFAOYSA-N
-rxn:2:75130:134417,CCOCC1CCN(c2ncccc2NC(CC)c2ccc(N3CCOCC3)nc2C)CC1,URPUCVXYDBHPNT-UHFFFAOYSA-N
-rxn:2:75130:86695,CCOCC1CCN(c2ncccc2NC(CC)c2ccc(N3CCN(CC)CC3)nc2)CC1,FADAVMBFQIZHLH-UHFFFAOYSA-N
-rxn:2:75223:117858,COCC1CCCN(c2ccc(NC3CCC(c4cc(C(C)C)ccc4C)CC3)cc2)C1,SLFKMJHKVIZWIE-UHFFFAOYSA-N
-rxn:2:75279:164321,CCOCCC1(NC(c2ccc(-c3ccc4[nH][nH]c(=O)c4c3)cc2)C(C)C)CCC(C(C)(C)C)CC1,FTOWMVHOQXWEJO-UHFFFAOYSA-N
-rxn:2:75372:141176,CCOCC1CCCN(c2nc(NC(c3ccc(CN4CCN(C)CC4)cc3)C3CCC3)cs2)C1,AAWRGSDUTKPGSW-UHFFFAOYSA-N
-rxn:2:75469:139138,CC1CCN(CCOc2ccc(NC3CC4CCC3(CS(=O)(=O)[O-])C4(C)C)cc2)CC1,OGXOXOZLRROGIF-UHFFFAOYSA-M
-rxn:2:75505:126170,CCCC(C(Nc1cnc(OCC2CCCN(C)C2)nc1)c1ccc2c(c1)CCC2)N1CCCC1,XSDQQRBQAZKBAQ-UHFFFAOYSA-N
-rxn:2:76140:120891,CCOCC1(c2ccc(NC3CCC(C4CCC(C)(C)CC4)CC3)cc2)CC1,VJZTZQSWKZQFDV-UHFFFAOYSA-N
-rxn:2:76219:126170,CCCC(C(Nc1ccc2c(c1)CN(CC)CC2)c1ccc2c(c1)CCC2)N1CCCC1,YMLYEYUQPPTZJZ-UHFFFAOYSA-N
-rxn:2:76219:171582,CCCC(C(Nc1ccc2c(c1)CN(CC)CC2)c1ccc2c(c1)CCCC2)N1CCCC1,YITVYYRXVZWDDO-UHFFFAOYSA-N
-rxn:2:76309:112657,CN1CCC(c2ccc(N3CCC(NC(C)(C)COCC4COc5ccccc5O4)C3)nn2)C1,XWKITJLKPRWNFM-UHFFFAOYSA-N
-rxn:2:76532:149812,C=C=Cc1cncc(C(NCCCN2CCC3(CC2)CC(OC)CCO3)c2ccccc2)c1,QUWMGFUUQUBMJP-UHFFFAOYSA-N
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-rxn:2:76706:139138,CSc1ccc(C(NC2CC3CCC2(CS(=O)(=O)[O-])C3(C)C)C2(C)CC2)cc1,HVVNSAHJWYZGRG-UHFFFAOYSA-M
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-rxn:2:77215:88564,CC1CCC(CNC2C3(C)CCC4C3(C)COC42S(=O)(=O)[O-])(N(C)Cc2ccco2)CC1,ILBMYDXDFDONAF-UHFFFAOYSA-M
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-rxn:2:77782:82932,COn1cc(C(C)NCC(C)(N(C)C)C23CC4CC(CC(C4)C2)C3)c(=O)[nH]c1=O,HRGBOHJZZAAOHK-UHFFFAOYSA-N
-rxn:2:77837:171582,CCCC(C(Nc1ccc2c(c1)CCN(CCC)C2)c1ccc2c(c1)CCCC2)N1CCCC1,UYSITVCYICPRSC-UHFFFAOYSA-N
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-rxn:2:79351:143818,CC(CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)NC(C)(c1noc(C2CC2)n1)C1CCCCC1,QKMNGGHSZNIOPW-UHFFFAOYSA-N
-rxn:2:79368:171582,CCCC(C(Nc1cccc2c1CCN(C)C2)c1ccc2c(c1)CCCC2)N1CCCC1,UYOLZHKYNYUVLZ-UHFFFAOYSA-N
-rxn:2:79530:126170,CCCC(C(Nc1ccc(OC)cc1N1CCCC1)c1ccc2c(c1)CCC2)N1CCCC1,GWYJAVZMPCITLO-UHFFFAOYSA-N
-rxn:2:79800:153098,CC(C)c1cc(N2CCC(NCCS(=O)(=O)N=S(C)(C)=O)CC2)nc(-c2cccnc2)n1,CGKHASNPKBSOCM-UHFFFAOYSA-N
-rxn:2:79800:157696,CC(C)c1nc(-c2ccccn2)cc(N2CCC(NCCS(=O)(=O)N=S(C)(C)=O)CC2)n1,AHITXTNPEZNCNV-UHFFFAOYSA-N
-rxn:2:79865:169074,CCC(CC)CN1CCC(NC2CCc3c(-c4ccc(C5CCCCC5)cc4)cccc32)C1,URKCVALERHRPEG-UHFFFAOYSA-N
-rxn:2:80340:126170,CCCC(C(Nc1ccc2c(c1)CC1(CCN(C)CC1)O2)c1ccc2c(c1)CCC2)N1CCCC1,ZXPYZLDSBWYPPQ-UHFFFAOYSA-N
-rxn:2:81455:143818,CC(CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)NC1CCCCCC1N(C)CCc1ccccn1,ZEMXZTPTQUKRPD-UHFFFAOYSA-N
-rxn:2:81872:142220,COc1ccc2c(c1)C(NC1(c3ccc4c(c3)OCCCO4)CCOCC1)CC(C)(C)O2,MLUWDXUWURLPFD-UHFFFAOYSA-N
-rxn:2:81873:117273,CC(NCC1(S(=O)(=O)C2CC2)CC1)SCC12CC(=O)CC(CN(C)C1)C2(F)F,HHLCCXNHEMYXMG-UHFFFAOYSA-N
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-rxn:2:82304:134027,CCC(COCC1CCCO1)Nc1ccc(C2CCN(C3CC3)C2)cc1,OKKVDKLDERZRII-UHFFFAOYSA-N
-rxn:2:82495:128520,COC(CNC(c1ccc(C(C)(C)C)cc1)C1CCCN1C)C1CCCC1,AJLCFAPJMCOODE-UHFFFAOYSA-N
-rxn:2:82725:112001,CCCCC(NCC(c1cccnc1)N1CCC(OC)CC1)c1ccc2c(c1)CCCC2,GUCLCAHHPKSBOB-UHFFFAOYSA-N
-rxn:2:82740:139138,Cc1ccc(C2(C(C)CNC3CC4CCC3(CS(=O)(=O)[O-])C4(C)C)COC2)o1,WPOHMAUJTVABOV-UHFFFAOYSA-M
-rxn:2:82909:171582,CCCC(C(Nc1cc(OC)cc(C2CCOCC2)c1)c1ccc2c(c1)CCCC2)N1CCCC1,XHIHNUIVEMLTIW-UHFFFAOYSA-N
-rxn:2:82920:99520,CCC(C)CN(C)CC1CCCCCC1Nc1cc([C@@H]2C[C@H]2F)[nH]n1,LYTAAEJVJMINMD-PXUJOYAKSA-N
-rxn:2:83328:171582,CCCC(C(NC(CC)CN1CCCc2ccccc21)c1ccc2c(c1)CCCC2)N1CCCC1,KWDBDIBFRDPJIU-UHFFFAOYSA-N
-rxn:2:83448:74747,CN(C)C(CNC1C[C@H]2CC[C@]1(CS(=O)(=O)[O-])C2(C)C)C12CCC(CC1)C2,GAXGKHINGPSUOC-NJQGCFHDSA-M
-rxn:2:83562:73038,CCC(NCc1cccnc1N1CCC(OC)CC1)c1cnc(N2CCN(CC)CC2)cc1C,JTLASGVAERFFRK-UHFFFAOYSA-N
-rxn:2:83663:91472,COc1cccc(OC(C)NC[C@@H]2C[C@H](F)CN2Cc2noc(C)n2)c1C(=O)C(C)C,LUHKJMXDRFUSMH-HGVHAKBWSA-N
-rxn:2:83726:113483,CCCC(COc1ccc2c(c1)CCC2)Nc1ccc2c(c1)CCN(C1CCCC1)CC2,TXJXEVCBRDNYNH-UHFFFAOYSA-N
-rxn:2:83726:137535,CCC(C)(C)OCC(Nc1ccc2c(c1)CCN(C1CCCC1)CC2)c1ccc(C)cc1C,BQCVYRBTUDLUHH-UHFFFAOYSA-N
-rxn:2:83900:131811,CCCCC1CC(C(Nc2cccc(N3CCC(N(C)C)CC3)c2)c2ccnn2C)C1,NMPAUWPFMPDXBR-UHFFFAOYSA-N
-rxn:2:84594:137567,CN(C1CCC(NC2CC3(C2)CC(C)(C)C3)CC1)C(C)(C)C,ZWGDPSYZCARMBX-UHFFFAOYSA-N
-rxn:2:84594:84681,CN(C1CCC(NCC2(C3CC3)CC2)CC1)C(C)(C)C,HQXBSNQTRLRCQW-UHFFFAOYSA-N
-rxn:2:84985:139138,CN(Cc1cccc(CNC2CC3CCC2(CS(=O)(=O)[O-])C3(C)C)c1)C1CCCCCC1,YYCRLDPUDUSWMN-UHFFFAOYSA-M
-rxn:2:85354:170280,CCOc1ncccc1-c1ccc2c(c1)C(NC(CC)C(c1cccnc1)N1CCCCC1)CCC2(C)C,XHDAQGIZJKVORY-UHFFFAOYSA-N
-rxn:2:85452:144092,CCC(CC)CN1CCC(NC2CCc3cc(-c4cccc5c4CCC5)ccc3C2)CC1,GVWUBAXQQZCGPP-UHFFFAOYSA-N
-rxn:2:85452:169401,CCC(CC)CN1CCC(NC2CCc3c(-c4cccc5c4CCCC5)cccc32)CC1,UEVQNOVZBYZBDM-UHFFFAOYSA-N
-rxn:2:85452:169732,CCC(CC)CN1CCC(NC2CCCc3ccc(-c4ccc5c(c4)CCCC5)cc32)CC1,IOHJAZUESREFGS-UHFFFAOYSA-N
-rxn:2:85452:170704,CCC(CC)CN1CCC(NC2CCCc3c(-c4cccc(C5CC5)c4)cccc32)CC1,JDOQWJNVFRQVMR-UHFFFAOYSA-N
-rxn:2:85452:171123,CCC(CC)CN1CCC(NC2CCCc3ccc(-c4cccc5c4CCCC5)cc32)CC1,AIYBGWWRPYUMCU-UHFFFAOYSA-N
-rxn:2:85452:171447,CCC(CC)CN1CCC(NC2CCCc3ccc(-c4cccc(C5CC5)c4)cc32)CC1,AKESAONGKWHNQM-UHFFFAOYSA-N
-rxn:2:85452:171575,CCC(CC)CN1CCC(NC2CCCc3ccc(-c4ccccc4C4CC4)cc32)CC1,ZPBPIFQRGJPSGN-UHFFFAOYSA-N
-rxn:2:85452:172152,CCC(CC)CN1CCC(NC2CCc3ccc(-c4c5c(cc6c4CCC6)CCC5)cc32)CC1,MNYVRKSKZHSBMT-UHFFFAOYSA-N
-rxn:2:85873:171582,CCCC(C(Nc1c2c(cc3c1CCC3)CCC2)c1ccc2c(c1)CCCC2)N1CCCC1,TWWWJODRKJZMNT-UHFFFAOYSA-N
-rxn:2:85978:149786,CCCC1CCC2(CC1)CCC(NC1c3cccc4cccc(c34)CC1(C)C)CC2,ORHAACAWQNEVIH-UHFFFAOYSA-N
-rxn:2:86554:91416,CC1CCC(N(C)C(CNC2CC3CCC2(CS(=O)(=O)F)C3(C)C)c2ccncc2)CC1,OAGXIAFXVCQFTD-UHFFFAOYSA-N
-rxn:2:86802:126600,Cc1ccc(C(C)NCCN2CCOC3(CCC3)C2)c(OS(=O)(=O)F)c1,PWNVKLLBNQHVTG-UHFFFAOYSA-N
-rxn:2:87384:161729,CC(NC1CC(N(C)C(C)(C)C)C12CCC2)c1cnc(-c2ccnc(OC3CC3)c2)s1,PGUSKEQWLLRDOV-UHFFFAOYSA-N
-rxn:2:87384:90094,CN(C1CC(NC2CC[C@H]3CC[C@@H]23)C12CCC2)C(C)(C)C,SWTDOILAETXWMP-LIHZJYIUSA-N
-rxn:2:87906:173184,CO[C@H]1CCN(C2CCC(NC(c3ccc(C(C)(C)C)cc3)c3ccccc3C)CC2)C1,SMZKTATWDIAWCO-IXFIPQRSSA-N
-rxn:2:88302:105829,Cc1ccc(C(NC(c2ccc(C(C)(C)C)cc2)C2CCCC2)C2CCCCC2)c(C)c1,PEBWPZCKMCVQNV-UHFFFAOYSA-N
-rxn:2:88302:111827,Cc1cccc(C)c1C(NC(c1ccc(C(C)(C)C)cc1)C1CCCC1)C1CCCCC1,XMAAEPSCMKVCGE-UHFFFAOYSA-N
-rxn:2:88564:102493,Cc1cccc(C(COC2CCOCC2)NC2C3(C)CCC4C3(C)COC42S(=O)(=O)[O-])c1,BSISSJKPSOHHQM-UHFFFAOYSA-M
-rxn:2:88564:115759,Cc1ccccc1C(CN1CCOCC1)NC1C2(C)CCC3C2(C)COC31S(=O)(=O)[O-],GISBKLNQAXESOH-UHFFFAOYSA-M
-rxn:2:88564:139128,CC12COC3(S(=O)(=O)[O-])C1CCC2(C)C3NCC1CCC2C(CC1)C2(F)F,OXKGOBJLGAAPIZ-UHFFFAOYSA-M
-rxn:2:88564:149920,CC1CC1(NC1C2(C)CCC3C2(C)COC31S(=O)(=O)[O-])c1ccc2[nH]c(=O)oc2c1,JMJQCNVODCJGNK-UHFFFAOYSA-M
-rxn:2:88564:161369,CC12COC3(S(=O)(=O)[O-])C1CCC2(C)C3NC1(c2ccc3[nH]c(=O)oc3c2)COC1,NACYXYDMVCLPAC-UHFFFAOYSA-M
-rxn:2:88759:125295,CCN1CC2CSCC(NC3CC(CS(=O)(=O)F)C3)(C1)C2(F)F,SQWWYIMPMGQVTM-UHFFFAOYSA-N
-rxn:2:89089:124654,O=S(=O)(F)c1ccc(C2CC2CCNC2CCCc3nc(N4CCSCC4)ncc32)cc1,YXNLKOPHQHABRT-UHFFFAOYSA-N
-rxn:2:89245:105166,CCC(C)(CNC1CC(c2ccccc2)C12CC2)OC1CCC(C)CC1,HENODBVZRHYWEM-UHFFFAOYSA-N
-rxn:2:89734:153325,CC(C)(C)N1CC[C@@](F)(CNC2CCC(n3cc(-c4ccc(C5CC5)nc4)cn3)CC2)C1,LMFNBFQUIZNXSB-QGPIEZSZSA-N
-rxn:2:89734:157566,CC(C)(C)N1CC[C@@](F)(CNC(c2ccc(-c3cnn(C4CCC4)c3)cc2)C2CC2)C1,NBADLRQDMHBIOU-JUERFOTFSA-N
-rxn:2:89768:126170,CCCC(C(Nc1cc(C)ccc1N1CCC(OCC)CC1)c1ccc2c(c1)CCC2)N1CCCC1,IJLPFJCOBBPUNM-UHFFFAOYSA-N
-rxn:2:90058:126170,CCCC(C(NC(c1cncc(OC)c1)C1CC1)c1ccc2c(c1)CCC2)N1CCCC1,VMTOLCZKJNRLIR-UHFFFAOYSA-N
-rxn:2:90259:122593,CC(COCC1CCCCC1)NC(c1ccccc1C1CC1)C(C)(C)C,NBZSCNLRUJEXOF-UHFFFAOYSA-N
-rxn:2:90592:82872,CCCC1CCC(c2ccc(NC3CCC(OCC4CC4)CC3)cc2)CC1,HQQWHPMOYFDPKX-UHFFFAOYSA-N
-rxn:2:90967:126170,CCCC(C(Nc1cccnc1OC1CCCN(C)C1)c1ccc2c(c1)CCC2)N1CCCC1,HUIPJCRPCBHUSH-UHFFFAOYSA-N
-rxn:2:91081:171582,CCCC(C(Nc1ccc2c(c1)CCN(CC)C2)c1ccc2c(c1)CCCC2)N1CCCC1,ATQSMKFXDKSQDE-UHFFFAOYSA-N
-rxn:2:91416:105479,CC(CNC1CC2CCC1(CS(=O)(=O)F)C2(C)C)(c1cccs1)N1CCOCC1,BUODHDICCUVFTJ-UHFFFAOYSA-N
-rxn:2:91754:104092,COc1c(C(NC(c2cccnc2)C2CCCCCC2)C2CC2)cc(C)cc1C(C)(C)C,CFLXAKCWDQMKIU-UHFFFAOYSA-N
-rxn:2:91863:139138,CC1CCCC1(CNC1CC2CCC1(CS(=O)(=O)[O-])C2(C)C)c1ccc2c(c1)OCO2,ZLSYDUWXBDJBGG-UHFFFAOYSA-M
-rxn:2:94092:139138,CC(C)N(C)CC12CCC(NC3CC4CCC3(CS(=O)(=O)[O-])C4(C)C)(CC1)CC2,ZXZYGDUSPRQCOD-UHFFFAOYSA-M
-rxn:2:94427:136378,CC(F)(CNC1CCN(CCOS(C)(=O)=O)CC1)c1ccc2c(c1)OCCO2,OBUAKWUHKGJMHZ-UHFFFAOYSA-N
-rxn:2:94781:139138,Cc1ccc(C2(CC(C)(C)NC3CC4CCC3(CS(=O)(=O)[O-])C4(C)C)COC2)o1,MDGDRRPDIQUSHP-UHFFFAOYSA-M
-rxn:2:95631:139138,COc1ccc(C2(CNC3CC4CCC3(CS(=O)(=O)[O-])C4(C)C)CC2)nc1,AJCRRGKJSLIIOL-UHFFFAOYSA-M
-rxn:2:95986:114712,CC#CC1(F)CC(NC(c2ccc(CN3CCN(C)CC3)cc2)C2CC2)C1,YWISZARMZCFHGV-UHFFFAOYSA-N
-rxn:2:96143:155396,CC(=O)c1ccc(C2C(CSC(C)NC3(CN(C)C)COC3)C2(F)F)nc1,JIHAYMXHOZQEDU-UHFFFAOYSA-N
-rxn:2:96182:139138,CC1CC(C)(C)CC(Cc2cccs2)(NC2CC3CCC2(CS(=O)(=O)[O-])C3(C)C)C1,XIDOLXKRVIFGMO-UHFFFAOYSA-M
-rxn:2:96223:168561,CC(NC(C#CN1CCCCC1)c1ccc2[nH]c(=O)[nH]c2c1)c1ccccc1CN1CCN(C)CC1,NCZIDPYEZYZSQO-UHFFFAOYSA-N
-rxn:2:96507:86695,CCOCC1CCN(c2ccc(NC(CC)c3ccc(N4CCN(CC)CC4)nc3)cn2)CC1,RXYNPKRSJUIQDH-UHFFFAOYSA-N
-rxn:2:97185:171582,CCCC(C(Nc1ccc(CC)c2c1CCCC2)c1ccc2c(c1)CCCC2)N1CCCC1,MDXPPBAQUFSKPU-UHFFFAOYSA-N
-rxn:2:97227:122030,CCOCC1CCCN(c2ccc(NC(c3ccn(CC4CCC4)n3)C(C)C)cn2)C1,OAENDCHGRNYCNP-UHFFFAOYSA-N
-rxn:2:97227:141711,CCOCC1CCCN(c2ccc(NC(CC)c3cnc(N4CCN(CC)CC4)c(C)c3)cn2)C1,NFGDFDZIEWOLEA-UHFFFAOYSA-N
-rxn:2:97227:154947,CCOCC1CCCN(c2ccc(NC(CN3CCC(N(C)C)CC3)c3c[nH]c4ccccc34)cn2)C1,JVDTTWYVFZIDDG-UHFFFAOYSA-N
-rxn:2:97227:92979,CCOCC1CCCN(c2ccc(NC(CC)C3(c4cc(C)ccc4C)CCN(C)CC3)cn2)C1,NSDIHLQPYOEPHR-UHFFFAOYSA-N
-rxn:2:97286:91160,CN(C)CCN(C)C1CCC(NCc2cncc(N=S(C)(C)=O)c2)CC1,FCXOIIHVHQWRDB-UHFFFAOYSA-N
-rxn:2:97637:126600,Cc1ccc(C(C)Nc2ccc(CN3CCN(CC4CC4)CC3)cn2)c(OS(=O)(=O)F)c1,PDQGUIPDWZFFLX-UHFFFAOYSA-N
-rxn:2:97909:162583,CCN1CCCC1c1n[nH]c2c1C(NC(c1ccc(-c3cnn(S(C)(=O)=O)c3)cc1)C1CC1)CCC2,FQQYLYNIIHVLGM-UHFFFAOYSA-N
-rxn:2:98156:134481,COc1c(C(N[C@@H](c2ccncc2)C2CCCCC2)C2CCC2)cc(C)cc1C(C)(C)C,FNOJFAFCRHOBRV-AVJYQCBHSA-N
-rxn:2:99006:162583,CN(C)CC1CCCN1CCNC(c1ccc(-c2cnn(S(C)(=O)=O)c2)cc1)C1CC1,SPDVHEBGZWVIDW-UHFFFAOYSA-N
-rxn:2:99110:126170,CCCC(C(Nc1cnc2c(c1)CN(CC)CC2)c1ccc2c(c1)CCC2)N1CCCC1,MYMPLUYSXOJKSO-UHFFFAOYSA-N
-rxn:2:99521:118088,CC(=O)c1sccc1C1C(CSC(C)NCC23CC(S(C)(=O)=O)(CO2)C3)C1(F)F,FGLCXAPKKLAHKK-UHFFFAOYSA-N
-rxn:2:99534:139138,CC1CCCC(Oc2ccsc2CNC2CC3CCC2(CS(=O)(=O)[O-])C3(C)C)C1,YIOIOSJTGPICBS-UHFFFAOYSA-M
-rxn:3:10480:59852:100874,COC1(CNC(=O)C2CN(C(=O)[C@@H]3CC=C[C@@H](n4cc(CSc5ncnc6sc(C)cc56)nn4)C3)CCO2)CS(=O)(=O)C1,FGRFMBRZAOHNEM-CJHNXZANSA-N
-rxn:3:10480:59852:100889,COC1(CNC(=O)C2CN(C(=O)[C@@H]3CC=C[C@@H](n4cc(CSc5ncnc6sc(C)cc56)nn4)C3)CCO2)CCS(=O)(=O)CC1,VSUWNNAFSBCKJG-FKHRANHKSA-N
-rxn:3:1057:64126:125145,O=C1CC(Cn2cc(-c3ccc(SC(F)F)cc3)nn2)CN1C[C@H]1CC[C@H](C(=O)NC(=[Se])C2CC2)CC1,LZBNNNTUDVPZMO-RVDLWCBHSA-N
-rxn:3:1086:65592:104666,COc1cccc(CNC(=O)Cc2nnc(N3CC(Cn4cc(CN5CCC(F)(F)CC5)nn4)CC3=O)[nH]2)c1,RMTCQMZUPPLPSS-UHFFFAOYSA-N
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-rxn:2:133247:139138,CC1(C)C2CCC1(CS(=O)(=O)[O-])C(NC1C[C@@H]3CCCN(C1)C3)C2,XCAOZDJXLSMHHW-IILDEKEXSA-M
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-rxn:2:156311:126170,CCCC(C(Nc1ccc2c(c1)c(OCC1CC1)nn2C)c1ccc2c(c1)CCC2)N1CCCC1,QVBMEUFFIUCPCI-UHFFFAOYSA-N
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-rxn:2:168047:171582,CCCC(C(Nc1cnn(-c2cncc(OC)c2)c1C1CC1)c1ccc2c(c1)CCCC2)N1CCCC1,PIFJMSTVERNOEV-UHFFFAOYSA-N
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-rxn:2:66153:102757,CN1CCC2(CC1)Oc1ccccc1C2CNCCS(=O)(=O)c1ccc2c(c1)OCCO2,SJHGAEWBLAEYJF-UHFFFAOYSA-N
-rxn:2:66816:117066,CC(NC1CCN(C2CCN(C)CC2)CC1)c1ccc(OS(=O)(=O)[O-])cc1,GJTPXBHSLXOIBW-UHFFFAOYSA-M
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-rxn:2:67015:134029,CN(C)C(C)(CNC1CCC(C2CCC2)CC1)C(C)(C)C,FAGJJIGNPKEXPM-UHFFFAOYSA-N
-rxn:2:67765:117066,CC(NCC(C)(C)N1CCC(N(C)C)CC1)c1ccc(OS(=O)(=O)[O-])cc1,IEYMIIZIDDWZTC-UHFFFAOYSA-M
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-rxn:2:68680:126600,Cc1ccc(C(C)NCCCOC2CCN(C)CC2)c(OS(=O)(=O)F)c1,ZVTAVCRRBMZGCH-UHFFFAOYSA-N
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-rxn:2:68985:117066,CC(NCC1(N2CCN(C)CC2)CCN(C)CC1)c1ccc(OS(=O)(=O)[O-])cc1,QPTDHWNWACOSQH-UHFFFAOYSA-M
-rxn:2:69134:84594,CN(C1CCC(NC2(C3CCC3)CC2)CC1)C(C)(C)C,YYJVTQGDYWLILJ-UHFFFAOYSA-N
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-rxn:2:69313:67403,CCC(NCCOC1CCN(c2ccc(C)cc2)CC1)c1cnc(N2CCCC2)cc1C,WXQCTPGIRKDXOE-UHFFFAOYSA-N
-rxn:2:69924:146975,CCOC1CN(c2ncccc2NC(c2ccccc2)c2ccc(N3CCN(C)CC3)nc2C)CC1OC,VAODACWZBJSHDZ-UHFFFAOYSA-N
-rxn:2:70502:139138,CC1(C)C2CCC1(CS(=O)(=O)[O-])C(NC13CCC(C1)OC3)C2,XYRZKINHXKYIKD-UHFFFAOYSA-M
-rxn:2:70596:139138,CC1(C)C2CCC1(CS(=O)(=O)[O-])C(NOCc1ccccc1C1CC1)C2,MDYPDKBKHPYZNR-UHFFFAOYSA-M
-rxn:2:70629:145738,CCC(Nc1oc2c(c1C1CCCC1)C(N(C)C)CCC2)c1cnc(N2CCc3ccccc32)cc1C,RHKJQEKPEXOQMZ-UHFFFAOYSA-N
-rxn:2:70685:119803,O=S(=O)(F)C1CC(NCc2cc(C3C4CC5CC(C4)CC3C5)n[nH]2)C1,ROYFDSXWEUOKSB-UHFFFAOYSA-N
-rxn:2:70685:126568,O=S(=O)(F)C1CC(NCc2[nH]cnc2C2C3CC4CC(C3)CC2C4)C1,HXIXLKRIAHBVPQ-UHFFFAOYSA-N
-rxn:2:70685:161135,O=c1[nH]nc(C2C3CC4CC(C3)CC2C4)cc1NC1CC(S(=O)(=O)F)C1,FRTAARBRKCLHHA-UHFFFAOYSA-N
-rxn:2:70685:77770,O=S(=O)(F)C1CC(NCc2c[nH]c(C3C4CC5CC(C4)CC3C5)n2)C1,YGXWAZRAZMHGIU-UHFFFAOYSA-N
-rxn:2:70705:84594,CC(NC1CCC(N(C)C(C)(C)C)CC1)C1CCCC1,CYZKXLJJRJIERY-UHFFFAOYSA-N
-rxn:2:71216:126600,Cc1ccc(C(C)NC2CCN(C3CCN(C)C3)CC2)c(OS(=O)(=O)F)c1,RNUHJVPPTCZAAK-UHFFFAOYSA-N
-rxn:2:71623:79800,CS(C)(=O)=NS(=O)(=O)CCNC1CC2CCCC(C1)C2F,KEYCILBAWPJHOY-UHFFFAOYSA-N
-rxn:2:71969:84594,CN(C)C(NC1CCC(N(C)C(C)(C)C)CC1)C1CCCC1,CBHZVSOTYHIOFJ-UHFFFAOYSA-N
-rxn:2:72532:126600,Cc1ccc(C(C)NC2CCN(CCN3CCOCC3)CC2)c(OS(=O)(=O)F)c1,JEZGLPNGJFSPQI-UHFFFAOYSA-N
-rxn:2:73460:126600,Cc1ccc(C(C)NCC2CC2CN2CCN(C)CC2)c(OS(=O)(=O)F)c1,FDUYDLNVLVHHQM-UHFFFAOYSA-N
-rxn:2:73511:149426,CC(NC(c1n[nH]c(C(C)C)n1)C(C)C)SCCC#Cc1ccc(C(=O)C2CC2)cc1,KCQIILZPVDOCHK-UHFFFAOYSA-N
-rxn:2:73666:164089,COC1CN(CCNC(C)c2ccc(-c3cncc(N4CCOCC4)n3)c(C)c2)CC1OC,ADCACHWRMQRIOQ-UHFFFAOYSA-N
-rxn:2:73760:172542,COCC1CN(c2ncccc2NC(C)c2c(C)cc(-c3ccc(OCC4CC4)nc3)cc2C)CC1(C)C,RYHXWSSDTYQZHD-UHFFFAOYSA-N
-rxn:2:73779:126600,Cc1ccc(C(C)NCC2(N3CCC(N(C)C)CC3)CCN(C)C2)c(OS(=O)(=O)F)c1,OIGJCHSHJXTLDG-UHFFFAOYSA-N
-rxn:2:73779:141610,CC(NCC1(N2CCC(N(C)C)CC2)CCN(C)C1)c1ccc(S(=O)(=O)[O-])cc1,XUTRPPWJZXHBKT-UHFFFAOYSA-M
-rxn:2:74148:139138,CC1(C)C2CCC1(CS(=O)(=O)[O-])C(NCC1(S(C)(=O)=O)CC1)C2,DFKAKDAFWXIOFU-UHFFFAOYSA-M
-rxn:2:74635:120955,CCCOS(=O)(=O)c1ccc(NC2CCN(C3CC(F)(F)C3)CC2)cc1,SYLHUWFCAAYWRK-UHFFFAOYSA-N
-rxn:2:74747:74148,CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)[O-])C(NCC1(S(C)(=O)=O)CC1)C2,DFKAKDAFWXIOFU-KKXIITGPSA-M
-rxn:2:74801:150905,CC(NC1CC(O[Si](C)(C)C(C)(C)C)C1)c1c(N2CCCC2)cc(-c2ccccc2)[nH]c1=O,LKDJZDPSNXDYJX-UHFFFAOYSA-N
-rxn:2:74951:88547,CCC(C)(C)OCc1cccc(NC(C)c2cc3c4c(c2)CCCCC4CCCC3)c1C,JUKGZVQBVALQIU-UHFFFAOYSA-N
-rxn:2:75640:126600,Cc1ccc(C(C)NC2CCC(N3CCN(C)CC3)CC2)c(OS(=O)(=O)F)c1,BRGNPTFLYJSTTK-UHFFFAOYSA-N
-rxn:2:75921:130197,CCC(NCC(C)(C)CSc1ccc2c(c1)CCCC2)c1ccc(N2CCN(C)CC2)nc1C,OABCDPAYKKROAT-UHFFFAOYSA-N
-rxn:2:76014:146898,CC(C)(C)[Si](C)(C)OCC1CC(NC2(c3ccc4[nH]c(C5CCCC5)nc4c3)CC2)C1,RESSDMWTZQMPRJ-UHFFFAOYSA-N
-rxn:2:76014:150543,CC(C)(C)[Si](C)(C)OCC1CC(NC2(c3ccc4[nH]c(C5CCC5)nc4c3)CC2)C1,AYLPDODSWMGHJO-UHFFFAOYSA-N
-rxn:2:76214:155396,CC(=O)c1ccc(C2C(CSC(C)Nc3cnc(N4CCCCC4)nc3N(C)C)C2(F)F)nc1,NZPQYSZISWPJJF-UHFFFAOYSA-N
-rxn:2:76516:98451,CCC(C)c1n[nH]c(NC(C)Oc2cccc(OC)c2C(=O)C(C)(C)C)c1CC(C)C,SNJSYIXECBJCHX-UHFFFAOYSA-N
-rxn:2:76624:126600,Cc1ccc(C(C)NCC2(N3CCCC3C)CCC(C)CC2)c(OS(=O)(=O)F)c1,SYDIXYKYZDIBFP-UHFFFAOYSA-N
-rxn:2:77092:126600,Cc1ccc(C(C)NCC2(CN(C)C3CCN(C)CC3)CC2)c(OS(=O)(=O)F)c1,CCSXJKNPLJFRJB-UHFFFAOYSA-N
-rxn:2:78803:126170,CCCC(C(Nc1ccnc(OC2CCCCC2)c1)c1ccc2c(c1)CCC2)N1CCCC1,MDHRVYMUYLOXPY-UHFFFAOYSA-N
-rxn:2:79439:84946,CN(CC1CCC(NCc2ccc(OS(=O)(=O)F)cc2)CC1)C(C)(C)C,GYPMDPFYYJTPQP-UHFFFAOYSA-N
-rxn:2:79480:126600,Cc1ccc(C(C)NC2CC(C)CN(C3CCC3)C2)c(OS(=O)(=O)F)c1,MJMRPYRAWAQKNM-UHFFFAOYSA-N
-rxn:2:79800:109651,CS(C)(=O)=NS(=O)(=O)CCNC1CC2CCC(C1)C2F,WSSOQWBGGPAJMV-UHFFFAOYSA-N
-rxn:2:79800:128655,CS(C)(=O)=NS(=O)(=O)CCNC1CC2CC3CCCN2C3C1,KFZOKXJTEMXKPS-UHFFFAOYSA-N
-rxn:2:79800:137707,CS(C)(=O)=NS(=O)(=O)CCNC1CCC2CCC1CC2,QRGRFULVWCNTSP-UHFFFAOYSA-N
-rxn:2:79800:80913,CS(C)(=O)=NS(=O)(=O)CCNC1CCC2CC3CCCN2C31,NKMYHGNFNPKZJY-UHFFFAOYSA-N
-rxn:2:79800:92710,CS(C)(=O)=NS(=O)(=O)CCNC1CC2CCCC(F)(C2)C1,UQNQGECLHKXMOU-UHFFFAOYSA-N
-rxn:2:80772:143818,CC(CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)NCC(C)(Cc1ccc[nH]1)N1CCCCCC1,UKOXSNJAGWIEBJ-UHFFFAOYSA-N
-rxn:2:80895:162953,CCC(C)N1C(CCNC(C)c2ccccc2-c2ccc3c(=O)[nH][nH]c3c2)CN(C)CCC1(C)C,DUDCXGALKXJHMI-UHFFFAOYSA-N
-rxn:2:81395:166331,CC1(CNC2CC3CCC(C2)N3Cc2ccc3c(c2)OCO3)CS(=O)(=O)C1,DDFNLODHGFTEEV-UHFFFAOYSA-N
-rxn:2:82213:141992,COCC(NC(C)(Cc1ccc[nH]1)N1CCN(C)CC1)c1cc(C)ccc1OC(C)C,RZJIDDOQNZILOR-UHFFFAOYSA-N
-rxn:2:82477:126600,Cc1ccc(C(C)NC(C)(C)CCN2CCOCC2)c(OS(=O)(=O)F)c1,OKGGXFNRSPZMDU-UHFFFAOYSA-N
-rxn:2:83088:143818,Cc1ccccc1C(CCN1CCN(C)CC1)NC(C)CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C,IUGQPMUESVSMDW-UHFFFAOYSA-N
-rxn:2:83448:139138,CN(C)C(CNC1CC2CCC1(CS(=O)(=O)[O-])C2(C)C)C12CCC(CC1)C2,GAXGKHINGPSUOC-UHFFFAOYSA-M
-rxn:2:83925:171582,CCCC(C(NCc1ccc(N2CCC(N(C)C)CC2)nc1)c1ccc2c(c1)CCCC2)N1CCCC1,BCFCDAVNFZYINE-UHFFFAOYSA-N
-rxn:2:83980:169228,CC(C)(C)c1ccc2c(c1)C(NC1CCCC3CCCCC31)c1cc(C(C)(C)C)ccc1-2,LBNZDGNRSYBORL-UHFFFAOYSA-N
-rxn:2:84015:81873,CC1(C)C2CC[C@]1(CS(=O)(=O)[O-])C(NCC1(S(=O)(=O)C3CC3)CC1)C2,SQPZJSLNCAFTEY-AJUCZRQESA-M
-rxn:2:84138:155159,CS(=O)(=O)c1ccc(C(CC2=NCCO2)NCCN=S2(=O)CCCC2)cc1,JGDJSBXAYFXLJQ-UHFFFAOYSA-N
-rxn:2:84594:103836,CN(C1CCC(N[C@H]2CC[C@@H](C)CC2)CC1)C(C)(C)C,JCNZZTJPFNKPHL-RYTJFDOTSA-N
-rxn:2:84594:104038,CN(C)CC1CC(NC2CCC(N(C)C(C)(C)C)CC2)C1,UNMGDMXUPPLFIJ-UHFFFAOYSA-N
-rxn:2:84594:104426,CN(C)C1CCCC(NC2CCC(N(C)C(C)(C)C)CC2)C1,XBQWGZQANXFRIH-UHFFFAOYSA-N
-rxn:2:84594:107917,CN(C)C1CCCC1NC1CCC(N(C)C(C)(C)C)CC1,KEBIJWWYEZZLBD-UHFFFAOYSA-N
-rxn:2:84594:108832,CN1CCC(C2CC2NC2CCC(N(C)C(C)(C)C)CC2)CC1,LMBVYDFMRJKWFS-UHFFFAOYSA-N
-rxn:2:84594:138984,CN(C1CCC1)C1CCC(NC2CCC(N(C)C(C)(C)C)CC2)CC1,CGYHWJWCUDTETM-UHFFFAOYSA-N
-rxn:2:84594:96306,CN(C1CCC(N[C@H]2CC[C@H](C)CC2)CC1)C(C)(C)C,JCNZZTJPFNKPHL-OJHJNGDYSA-N
-rxn:2:84594:99891,CN(C)CC1CCC(NC2CCC(N(C)C(C)(C)C)CC2)CC1,PANMPRIUSFZINR-UHFFFAOYSA-N
-rxn:2:85341:139138,CC1(C)C2CCC1(C)C(NC1CC3CCC1(CS(=O)(=O)[O-])C3(C)C)C2,JEBLUURUMWLKHU-UHFFFAOYSA-M
-rxn:2:85458:154155,CN(C)C1CCC(N(C)CCNC2COc3ccc(-c4cnn(S(C)(=O)=O)c4)cc32)CC1,QHDCDLDFJJKCFP-UHFFFAOYSA-N
-rxn:2:86416:117066,CC(NCC1(C(C2CCN(C)CC2)N(C)C)CCC1)c1ccc(OS(=O)(=O)[O-])cc1,UJPGLFGQAPMIDL-UHFFFAOYSA-M
-rxn:2:86701:139096,CC(Nc1[nH]nc2c1CN(CCN(C)C)CC2)SCC#Cc1ccc(C(=O)C(C)C)cc1,KENKKQNUSBKREL-UHFFFAOYSA-N
-rxn:2:87496:114447,CCC(NCCCN1CCN(C2CCC2)CC1)c1cccc(S(=O)(=O)F)c1,UGCLXDKUCOUYSB-UHFFFAOYSA-N
-rxn:2:87625:139138,CC1(C)C2CCC1(CS(=O)(=O)[O-])C(NCCN=S(C)(C)=O)C2,NWDGMOICSOULKW-UHFFFAOYSA-M
-rxn:2:88099:143818,CC(CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)NC1(CN2CCC(N(C)C)CC2)CCCCC1,MZNHWFKIEQVLBR-UHFFFAOYSA-N
-rxn:2:88353:126170,CCCC(C(Nc1cnccc1N1CCC(N(C)C)C1)c1ccc2c(c1)CCC2)N1CCCC1,YAYBNTWRQZDGAY-UHFFFAOYSA-N
-rxn:2:88556:146370,CC[C@]1(O[Si](C)(C)C(C)(C)C)C[C@H](NC2CCCc3ccc(-c4ccc5c(=O)[nH][nH]c5c4)cc32)C1,XNDJECUNUKXGCN-PKIWVEJOSA-N
-rxn:2:88772:126600,Cc1ccc(C(C)NCC(C)(C)N2CCCC(N(C)C3CC3)C2)c(OS(=O)(=O)F)c1,WLEQMKAZULDIHC-UHFFFAOYSA-N
-rxn:2:88937:116942,CN(C)C1CCCC1Nc1c(C2CCC2)c(C2CCC2)nn1C(C)(C)C,JGMJQZOQZQZKCC-UHFFFAOYSA-N
-rxn:2:89218:166331,CC1(CNC2CC3CCC(C2)N3Cc2ccc3c(c2)OCO3)CCS(=O)(=O)C1,XGBJSSORJCQTCI-UHFFFAOYSA-N
-rxn:2:89533:130197,CCC(Nc1ccc(N2CCC(N(C)C)CC2)cc1)c1ccc(N2CCN(C)CC2)nc1C,PMUKILPJUXZGGM-UHFFFAOYSA-N
-rxn:2:90001:126600,Cc1ccc(C(C)NCCN2CCN(CC3CC3)CC2)c(OS(=O)(=O)F)c1,TZJZNHVFUWESFT-UHFFFAOYSA-N
-rxn:2:90147:126410,CN1CCN(CCCONC(c2ccc(S(=O)(=O)F)cc2)C2CC2)CC1,XUIZKONYZBUNOX-UHFFFAOYSA-N
-rxn:2:90156:122646,CCC(Nc1ccc(OCCN2CCN(C)CC2)nc1)C(C)CN(C)C,SWWZFEQFTFZCFE-UHFFFAOYSA-N
-rxn:2:90245:111106,COCC1CN(c2ccc(NC(c3cc(C)ccc3C)C(C)OC3CCC3)cn2)CC1C,FCFNQJPUAQWABS-UHFFFAOYSA-N
-rxn:2:90550:139138,CC1(C)C2CCC1(CS(=O)(=O)[O-])C(NC13COCC(C1)C3)C2,XIMBSKRFHJBPSJ-UHFFFAOYSA-M
-rxn:2:91160:156863,CN(C)CCN(C)C1CCC(NC(C)(C)C(c2ccc3[nH]c(=O)[nH]c3c2)N(C)C)CC1,IOQOJMIVWBASBC-UHFFFAOYSA-N
-rxn:2:91168:139138,CC1(C)C2CCC1(CS(=O)(=O)[O-])C(NC1CN3CCC1C3)C2,SJJZSKVKSQLJLU-UHFFFAOYSA-M
-rxn:2:91379:73038,CCC(Nc1ccccc1N1CCC(N(C)C)CC1)c1cnc(N2CCN(CC)CC2)cc1C,QVCXAYRFVCWMSH-UHFFFAOYSA-N
-rxn:2:91794:126600,Cc1ccc(C(C)NCC(C)CN2CCN(C)CC2)c(OS(=O)(=O)F)c1,LTHONVCEFDGPHY-UHFFFAOYSA-N
-rxn:2:92094:159543,CCCn1nc(-c2ccc(C(C)C)cc2)cc(C(C)NCC2(c3ncc(C4CCN(C)C4)[nH]3)CC2)c1=O,CEQGOHCGEWUMHA-UHFFFAOYSA-N
-rxn:2:93740:155396,CC(=O)c1ccc(C2C(CSC(C)Nc3ncccc3OCCC(C)(C)C)C2(F)F)nc1,FHFFRPRFXWQAEX-UHFFFAOYSA-N
-rxn:2:95120:171582,CCCC(C(Nc1cccc(OC(C)C2CC2)c1)c1ccc2c(c1)CCCC2)N1CCCC1,WXCVQXDOGPSTLJ-UHFFFAOYSA-N
-rxn:2:95886:126600,Cc1ccc(C(C)NCC(C)(C)N2CCN(C)CC2)c(OS(=O)(=O)F)c1,PJOTXCHMKQBABA-UHFFFAOYSA-N
-rxn:2:96927:117066,CC(NCCN(C1CC1)C1CCN(C)C1)c1ccc(OS(=O)(=O)[O-])cc1,GRPJIPDAYDXQNA-UHFFFAOYSA-M
-rxn:2:98703:117066,CC(NCCN(C1CC1)C1CCN(C)CC1)c1ccc(OS(=O)(=O)[O-])cc1,QHRGGSCHLASRBJ-UHFFFAOYSA-M
-rxn:2:99230:126600,Cc1ccc(C(C)NC2CN(CC3CCOCC3)C2)c(OS(=O)(=O)F)c1,YHJVKIMFSQBRBB-UHFFFAOYSA-N
-rxn:2:99566:155396,CC(=O)c1ccc(C2C(CSC(C)Nc3nc(N4CCN(C)CC4)ns3)C2(F)F)nc1,OJDNGPICFPHSTD-UHFFFAOYSA-N
-rxn:2:99675:139138,CC1(C)C2CCC1(CS(=O)(=O)[O-])C(NC1CCC3CC1C3)C2,IBRYPVNCCCWJTG-UHFFFAOYSA-M
-rxn:2:101171:101723,CN1[C@@H]2CCC(NC3CCC(N4CCN(C(C)(C)C)CC4)CC3)[C@H]1CC2,NYKZYWBTAWWLIG-UCYAAXKESA-N
-rxn:2:102196:155396,CC(=O)c1ccc(C2C(CSC(C)Nc3ccc(OC4(C)CCCC4)nn3)C2(F)F)nc1,UDEJSUMDMOSKAP-UHFFFAOYSA-N
-rxn:2:102455:126600,Cc1ccc(C(C)NCc2cn(C3CCCOC3)nc2C2CCC2)c(OS(=O)(=O)F)c1,XBGCIHNYPLKBIY-UHFFFAOYSA-N
-rxn:2:102611:143818,CC(CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)Nc1cc(C2CCC2)nn1C(C)C1CCCCC1,BNRMJRKVCLNUJU-UHFFFAOYSA-N
-rxn:2:102793:137832,CC(CC(C)(C)S(=O)(=O)c1cccs1)NCC1C(F)(F)C12CCOCC2,OJXQIYFBHIXWLV-UHFFFAOYSA-N
-rxn:2:103149:128454,CN1[C@@H]2CC[C@H]1CC(NCC(C)(C)N1CCCCC1)C2,ZTGJPNHRBRIUDH-MQVJKMGUSA-N
-rxn:2:103149:129060,CN1[C@@H]2CC[C@H]1CC(NCC(C)(C)CN1CCCCCC1)C2,UHGRNJNVPIGPLV-AYHJJNSGSA-N
-rxn:2:103779:139138,CC1(C)C2CCC1(CS(=O)(=O)[O-])C(NCC1CC3CCCC(C1)N3C1CC1)C2,RNDVFAPIODDFQU-UHFFFAOYSA-M
-rxn:2:104119:169889,Cc1cc(C)cc(C(NC2CCC(C3CCCCC3)CC2)c2ccc(C(C)(C)C)cc2)c1,CZWDKQYXRUIWGZ-UHFFFAOYSA-N
-rxn:2:104370:126170,CCCC(C(Nc1ccc(N2CCC(OCC)CC2)cc1C)c1ccc2c(c1)CCC2)N1CCCC1,DTEALOPHZFIHLA-UHFFFAOYSA-N
-rxn:2:104540:139138,CC1(C)C2CCC1(CS(=O)(=O)[O-])C(NC1(C3C4CC5CC(C4)CC3C5)CC13CCCC3)C2,FRWVQOKMSNOSNV-UHFFFAOYSA-M
-rxn:2:104835:144000,CCOCC1(CNC2CCc3cc(-c4cnc(N5CCOCC5)nc4)ccc32)CC2(CC2)C1,FXXPAFGKHDBILS-UHFFFAOYSA-N
-rxn:2:104835:145175,CCOCC1(CNC2CCc3cc(-c4cnn(C5CCOC5)c4)ccc3C2)CC2(CC2)C1,WNQKVXPAEGMERF-UHFFFAOYSA-N
-rxn:2:104835:152729,CCOCC1(CNC2CCOc3cc(-c4ccnn4C4CCCC4)ccc32)CC2(CC2)C1,ITTAQUKGQRPFAG-UHFFFAOYSA-N
-rxn:2:104835:153678,CCOCC1(CNC2CCc3ccc(-c4cnn(C5CCCCO5)c4)cc32)CC2(CC2)C1,YBJHDVKHQKBYPU-UHFFFAOYSA-N
-rxn:2:104835:155914,CCOCC1(CNC2CCCc3ccc(-c4ccn(C5CCCCO5)n4)cc32)CC2(CC2)C1,LCCRWJAFUAVPRZ-UHFFFAOYSA-N
-rxn:2:104835:156937,CCOCC1(CNC(CC2c3ccccc3-c3cncn32)C2CCCCC2)CC2(CC2)C1,RDOVGJQIVPJVQV-UHFFFAOYSA-N
-rxn:2:104835:167709,CCOCC1(CNC2CCSc3ccc(-c4cnn(C5CCC5)c4)cc32)CC2(CC2)C1,ZZXCYCFJWDXJJL-UHFFFAOYSA-N
-rxn:2:105790:147815,CC(NCC(C)(C1C2CC3CC(C2)CC1C3)N(C)C)c1ccc2[nH]c(=O)[nH]c2c1,VYCDKUXWGPVXOM-UHFFFAOYSA-N
-rxn:2:105790:165045,CC(NCC(C)(C1C2CC3CC(C2)CC1C3)N(C)C)c1ccc2oc(=O)[nH]c2c1,RVFWYKAORPVZFD-UHFFFAOYSA-N
-rxn:2:107285:171582,CCCC(C(Nc1ccc(CC)cc1N1CCCCC1)c1ccc2c(c1)CCCC2)N1CCCC1,RJQKLADWVFPHGL-UHFFFAOYSA-N
-rxn:2:107769:118870,CC(=O)c1ccc(C2C(CSC(C)Nc3cncnc3OCC3(C)COC3)C2(F)F)s1,APSJWPUPBPFTAD-UHFFFAOYSA-N
-rxn:2:107875:126600,Cc1ccc(C(C)NCC2CCCN(C3COC3)C2)c(OS(=O)(=O)F)c1,WBTMJQPVPYCPFH-UHFFFAOYSA-N
-rxn:2:107993:126600,Cc1ccc(C(C)NCC2CCCCN2C2COC2)c(OS(=O)(=O)F)c1,FGSWOXTUBUJUKN-UHFFFAOYSA-N
-rxn:2:108912:106196,CC(NCC(C)(C)N(C)c1n[nH]c(=O)[nH]c1=O)c1cnccc1OCCN1CCOCC1,LOHLIOXJNNCXSL-UHFFFAOYSA-N
-rxn:2:109579:100357,CCCCC1CCC(c2cc(NC3CCC(c4ccc(C)cc4)(N(C)C)CC3)[nH]n2)CC1,LBYYWLAVMBPAKJ-UHFFFAOYSA-N
-rxn:2:109579:104090,CCCCC1CCC(c2cc(NC3CCC(C(c4ccccc4)N(C)C)CC3)[nH]n2)CC1,NGBCKYIMMSPEQW-UHFFFAOYSA-N
-rxn:2:109579:172118,CCCCC1CCC(c2cc(NC3CCc4cc(-c5cc(C)cc(OC(C)C)c5)ccc4C3)[nH]n2)CC1,PJYYPOBIZSFRJU-UHFFFAOYSA-N
-rxn:2:109752:164467,CCC(NCC(OC)C1CC(F)(F)C1)c1ccc2oc(=O)c(=O)n(OC(C)C)c2c1,ZPRQDWQPRUGRJX-UHFFFAOYSA-N
-rxn:2:109800:127163,CCC(C(N[C@H]1CC[C@H](OC)CC1)c1ccccc1)N1CCCOCC1,BMNZXOGTHANZHA-IJDVVPKISA-N
-rxn:2:110460:126600,Cc1ccc(C(C)NCC#CC2(C)CCCN2C2CC2)c(OS(=O)(=O)F)c1,HPPOECBIUKOXHP-UHFFFAOYSA-N
-rxn:2:111156:143973,CN1CCN(c2ccnc(CNC3CCN(C4=NS(=O)(=O)c5ccccc54)CC3)n2)CC1,KFYOGWDRPJPXDS-UHFFFAOYSA-N
-rxn:2:112001:143973,COC1CCN(C(CNC2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)c2cccnc2)CC1,ZKEVGNULDVWKIU-UHFFFAOYSA-N
-rxn:2:112086:124520,C[C@@H]1C[C@H]2[C@@H](CC1NC1c3ccccc3CCC1OC1CCC1)C2(C)C,ULAXZFBYCZDBCW-COVONWRDSA-N
-rxn:2:112086:127554,CCC(NC1c2ccccc2CCC1OC1CCC1)C1CC2(CCC2)C1,CGINLIGEROFIQC-UHFFFAOYSA-N
-rxn:2:112507:162524,CCc1ccc(C(CCc2nc3ccccc3[nH]2)NCCN2CCC3(CC2)CC(OC)CCO3)cc1,ALXIPIANVHRKBH-UHFFFAOYSA-N
-rxn:2:112507:165376,CCCC(NCCN1CCC2(CC1)CC(OC)CCO2)c1ccc(-c2n[nH]c3ncccc23)cc1,LTVZXMLPFGXLKT-UHFFFAOYSA-N
-rxn:2:112507:168973,CCCC(NCCN1CCC2(CC1)CC(OC)CCO2)c1ccc(-c2cc3cc[nH]c3nc2C)cc1,WVPQAVYOGYPYJG-UHFFFAOYSA-N
-rxn:2:112507:172013,CCCC(NCCN1CCC2(CC1)CC(OC)CCO2)c1ccc(-c2cccc3nccnc23)cc1,DUIYFZSKSQFCFV-UHFFFAOYSA-N
-rxn:2:112507:172563,CCCC(NCCN1CCC2(CC1)CC(OC)CCO2)c1ccc(-c2ccnc3[nH]cc(C)c23)cc1,FOBHJSOTHSTUIQ-UHFFFAOYSA-N
-rxn:2:112651:126170,CCCC(C(NCC1(F)CCN(CCC)CC1)c1ccc2c(c1)CCC2)N1CCCC1,KDQHQWLVNZFLBO-UHFFFAOYSA-N
-rxn:2:113005:161156,CCCOC1CCCN(CC2CCCC2Nc2n[nH]c(C3CC3)c2-c2ccc(C(C)C)cc2)C1,ZTVGHORHHQTPHD-UHFFFAOYSA-N
-rxn:2:113260:171582,CCCC(C(NC1CC2(CCN(C)C2)C1)c1ccc2c(c1)CCCC2)N1CCCC1,BUMVAQBYPVEFGZ-UHFFFAOYSA-N
-rxn:2:113415:143818,CC(CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)NC1(C2CCCO2)CCOCC1,MFFRKOLAHILXJD-UHFFFAOYSA-N
-rxn:2:113527:130197,CCC(NCc1ccnc(N2CCC(N(C)C)CC2)n1)c1ccc(N2CCN(C)CC2)nc1C,UQQSBUQCJWZSOM-UHFFFAOYSA-N
-rxn:2:113994:139138,CSc1ccc(CN2CCC(NC3CC4CCC3(CS(=O)(=O)[O-])C4(C)C)CC2)cc1,XPVAHHJAPZCRRJ-UHFFFAOYSA-M
-rxn:2:114498:127327,CCC(CN1CCC(N(C)C)CC1)NCCCC1CCC(c2ccccn2)CC1,IZZCKZQZTWFVIQ-UHFFFAOYSA-N
-rxn:2:114502:136378,COCC#Cc1cccc(CNC2CCN(CCOS(C)(=O)=O)CC2)n1,PIHQQAPLGNKYIH-UHFFFAOYSA-N
-rxn:2:115428:125530,COC1C(NC2CCCC2c2ccc(C(C)(C)C)cc2)COC12CCC2,BJFXMWOILDIINE-UHFFFAOYSA-N
-rxn:2:115520:125295,O=S(=O)(F)CC1CC(NCCc2ncc(C3C4CC5CC(C4)CC3C5)[nH]2)C1,RVVYLWXWQBVBQO-UHFFFAOYSA-N
-rxn:2:115807:143784,CCC(Nc1cccnc1N1CCC(C(C)(F)F)CC1)c1ccc2oc(=O)c(=O)n(OCC(C)C)c2c1,JPMSPPVINGMBIQ-UHFFFAOYSA-N
-rxn:2:116102:165217,Cc1[nH]c(C2CCC(NC3COc4cccc(-c5cnn(S(C)(=O)=O)c5)c43)CC2)nc1C1CCCC1,ZBAYHFDDGKJBSL-UHFFFAOYSA-N
-rxn:2:118993:170234,CCCC(C(NC1CCN([C@]2(C)CC[C@@H](OC)CC2)CC1)c1cccc2ccccc12)N1CCCC1,WYNNQFXCDXYDDQ-LPWDPNAJSA-N
-rxn:2:119334:126600,Cc1ccc(C(C)NCc2n[nH]c(C34CC5CC(CC(C5)C3)C4)n2)c(OS(=O)(=O)F)c1,QACRWCUXYLQIKL-UHFFFAOYSA-N
-rxn:2:119548:139138,CN(Cc1ccccc1CNC1CC2CCC1(CS(=O)(=O)[O-])C2(C)C)C1CCSC1,DSLXOROYUTVSAG-UHFFFAOYSA-M
-rxn:2:121127:171582,CCCC(C(Nc1ccc(OCC2CCCO2)nn1)c1ccc2c(c1)CCCC2)N1CCCC1,ZVGSRCSUFYVHKO-UHFFFAOYSA-N
-rxn:2:121864:136378,CCOc1ncc(C2C(CNC3CCN(CCOS(C)(=O)=O)CC3)C2(F)F)cn1,BIERZPVOYKEKQU-UHFFFAOYSA-N
-rxn:2:122613:139138,COc1ccc(CNC2CC3CCC2(CS(=O)(=O)[O-])C3(C)C)cc1CN1CCOCC1,LQSPTVWRRHFUTD-UHFFFAOYSA-M
-rxn:2:123858:154947,CCC1CCCC(n2cnc(NC(CN3CCC(N(C)C)CC3)c3c[nH]c4ccccc34)n2)C1,AYZQCXILAZUGTM-UHFFFAOYSA-N
-rxn:2:123873:171582,CCCC(C(Nc1cc(CC)ccc1N1CCCCC1)c1ccc2c(c1)CCCC2)N1CCCC1,GTTFASMBSQFQTK-UHFFFAOYSA-N
-rxn:2:125848:155396,CC(=O)c1ccc(C2C(CSC(C)Nc3cc(CN(C)C4CCCCC4)on3)C2(F)F)nc1,KGNCMDGLEPCOID-UHFFFAOYSA-N
-rxn:2:126170:162893,CCCC(C(Nc1[nH]nc(C2CCC2)c1-c1ccc(CC)cc1)c1ccc2c(c1)CCC2)N1CCCC1,MBMXWGAKPJPQHW-UHFFFAOYSA-N
-rxn:2:127586:126170,CCCC(C(Nc1ccc(OCC2CCC2)c(C)c1)c1ccc2c(c1)CCC2)N1CCCC1,CXWSTGKULIFEIR-UHFFFAOYSA-N
-rxn:2:131626:139138,CC(CNC1CC2CCC1(CS(=O)(=O)[O-])C2(C)C)(CC1COC1)c1ccco1,OYZRBUKSLBAGKE-UHFFFAOYSA-M
-rxn:2:132288:170379,CCCOC1CCCN(C2CCCCC2NC(c2ccc(-c3cccc4[nH]ncc34)cc2)C(C)C2CC2)C1,UVUCFGDQBFVDMB-UHFFFAOYSA-N
-rxn:2:132288:173115,CCCOC1CCCN(C2CCCCC2NC(c2ccc(C)cc2)c2ccc3c(c2)CCCC3)C1,WCNVVIUOVLDXAD-UHFFFAOYSA-N
-rxn:2:133551:126170,CCCC(C(Nc1nccnc1OC1CCCC1)c1ccc2c(c1)CCC2)N1CCCC1,ASXYAKUVJNQIHQ-UHFFFAOYSA-N
-rxn:2:134081:149840,CCCC1CCC(Nc2cccc(-c3cn(CC4(F)CCC4)nn3)c2)C(CN(C)CC)C1,DUHMIOCDVGSQON-UHFFFAOYSA-N
-rxn:2:134501:133491,CCCCN1CCCC1c1cccnc1NC(c1ccccc1)C(C)N1CCC(CC)CC1,YLQAFYKEAUIREJ-UHFFFAOYSA-N
-rxn:2:135584:139138,COc1ccccc1C1(CNC2CC3CCC2(CS(=O)(=O)[O-])C3(C)C)COC1,SEGXIFJEIZCITK-UHFFFAOYSA-M
-rxn:2:136108:126600,Cc1ccc(C(C)NCCc2nncn2C2C3CC4CC(C3)CC2C4)c(OS(=O)(=O)F)c1,FWLFQODTFFVCLG-UHFFFAOYSA-N
-rxn:2:136217:139138,CC1(C)C2CCC1(CS(=O)(=O)[O-])C(NC1(c3ccsc3)CCOCC1)C2,HSVZYXZWCSBFIQ-UHFFFAOYSA-M
-rxn:2:136378:131102,COc1ccncc1C(F)(F)CNC1CCN(CCOS(C)(=O)=O)CC1,PSOWYVRFIHDCQH-UHFFFAOYSA-N
-rxn:2:136378:131608,COc1ccc2c(c1)C(NC1CCN(CCOS(C)(=O)=O)CC1)C(F)CC2,VXFWKLDPHVPXPB-UHFFFAOYSA-N
-rxn:2:136378:134924,CCOc1ccc(C2C(CNC3CCN(CCOS(C)(=O)=O)CC3)C2(F)F)cn1,LINZPIORSFMYPH-UHFFFAOYSA-N
-rxn:2:136378:147135,Cc1ccc2ccc(C(CNC3CCN(CCOS(C)(=O)=O)CC3)C3CC3)nc2c1,AQRDJNQEZZBENY-UHFFFAOYSA-N
-rxn:2:136378:152346,COc1ncccc1-n1ncc(CNC2CCN(CCOS(C)(=O)=O)CC2)c1C1CC1,YMZJGGMFQBYZSG-UHFFFAOYSA-N
-rxn:2:137038:133816,CC1(C)Cc2ccc(C(C)(C)C)cc2C(NC2CCCC3(COC3)C2)C1,PCLLOQSEMNXQKE-UHFFFAOYSA-N
-rxn:2:137807:169615,CCCCSC(=N)C(F)(F)c1ccc2c(c1)C(Nc1nc(=O)nc(C3CCCCS3)[nH]1)CC2,YMIQKQLPWNUQBE-UHFFFAOYSA-N
-rxn:2:137842:152149,CCC1CCC(CNC2CCc3ccc(-c4ncccc4C4CC4)cc32)C(OC2CCC2)C1,BGHJOYLJHLYDNK-UHFFFAOYSA-N
-rxn:2:137912:140192,CC(=O)c1cn([C@H]2C[C@H](CSC(C)NCC(F)(F)CN3CCOCC3)C2)nn1,DDXMIHHJCJCMLA-KURUOMIPSA-N
-rxn:2:138126:161479,CC(CCC1(c2ccc3[nH]c(=O)[nH]c3c2)COC1)NCC(F)(F)CN1CCCSCC1,WZTYXUMXFCZBMD-UHFFFAOYSA-N
-rxn:2:138546:130197,CCC(Nc1ccc(N2CCC(N(C)C)CC2)cn1)c1ccc(N2CCN(C)CC2)nc1C,IDFHULPWMIDGEN-UHFFFAOYSA-N
-rxn:2:138546:164290,Cc1[nH]c2ccccc2c1C(CN1CCN(C)CC1)Nc1ccc(N2CCC(N(C)C)CC2)cn1,STUGOWSLWOVSRM-UHFFFAOYSA-N
-rxn:2:139310:145413,CC(NCC1CC(OS(C)(=O)=O)C1)c1cccc(-c2ccc(N3CCN(C)CC3)nc2)n1,AFZWOFHVDVKHMJ-UHFFFAOYSA-N
-rxn:2:139310:146246,CC(NCC1CC(OS(C)(=O)=O)C1)c1ccnc(-c2ccc(OC3CCOCC3)nc2)c1,GQYGGXJBZCYLLT-UHFFFAOYSA-N
-rxn:2:139310:162854,CC(NCC1CC(OS(C)(=O)=O)C1)c1ccc(-c2ccc(N3CCN(C)CC3)nc2)cn1,MRQJOXZWAHRPOW-UHFFFAOYSA-N
-rxn:2:140012:118545,COC1CCOC2(CCN(CCCNC(c3ccc4cc[nH]c4n3)C(C)C)C2)C1,SZECWFLAFPGMBO-UHFFFAOYSA-N
-rxn:2:140012:153195,COC1CCOC2(CCN(CCCNC(C)c3csc(CS(=O)(=O)c4ccccn4)n3)C2)C1,LIKYQAYDKUMNGV-UHFFFAOYSA-N
-rxn:2:140012:164211,CCCC(NCCCN1CCC2(CC(OC)CCO2)C1)c1ccc2oc(-c3ccncc3)nc2c1,PEMXWURUZSXCOH-UHFFFAOYSA-N
-rxn:2:140012:166811,CCC(NCCCN1CCC2(CC(OC)CCO2)C1)c1ccc(-c2ccc(C)cn2)cc1,NXYLQMWGQHYXBA-UHFFFAOYSA-N
-rxn:2:140012:168973,CCCC(NCCCN1CCC2(CC(OC)CCO2)C1)c1ccc(-c2cc3cc[nH]c3nc2C)cc1,WXNYWQWTCCMMBT-UHFFFAOYSA-N
-rxn:2:140012:170731,CCCC(NCCCN1CCC2(CC(OC)CCO2)C1)c1ccc(-c2nccc3cc[nH]c23)cc1,SJHLVPSMAUDVGB-UHFFFAOYSA-N
-rxn:2:140012:172581,COC1CCOC2(CCN(CCCNC(c3ccc(-c4cc5cc[nH]c5nc4C)cc3)C(C)C)C2)C1,FVJJMADTFOCBNF-UHFFFAOYSA-N
-rxn:2:140175:139138,CC1CCN(C(c2cccs2)C(C)NC2CC3CCC2(CS(=O)(=O)[O-])C3(C)C)CC1,HQPUXVICAQTPOT-UHFFFAOYSA-M
-rxn:2:141402:159916,COc1ccc(C(NCC(F)(F)COS(C)(=O)=O)C23CN4CN(CN(C4)C2)C3)cc1,IJRURBQIKKYPJL-UHFFFAOYSA-N
-rxn:2:141632:126600,Cc1ccc(C(C)NCC2(N3CCOCC3)CCSC2)c(OS(=O)(=O)F)c1,XRXOATYZNGHFIC-UHFFFAOYSA-N
-rxn:2:142045:143818,Cc1nnc(CC2CC(NC(C)CC(c3ccc4[nH]c(=O)[nH]c4c3)N(C)C)C2)n1C1CCCC1,GHBSMYFMHUPDJY-UHFFFAOYSA-N
-rxn:2:142442:126170,CCCC(C(NCC1(c2nccc3cc(OC)ccc23)CCC1)c1ccc2c(c1)CCC2)N1CCCC1,UNUIAFALCWDQJC-UHFFFAOYSA-N
-rxn:2:142888:156384,CCCCCC#Cc1cnc2nc(NC3CC4(CCC(F)(F)CC4)Oc4cc(OC)ccc43)sc2n1,DLRULQPXIYXFLD-UHFFFAOYSA-N
-rxn:2:144011:171582,CCCC(C(NC1(c2nc3ccccc3[nH]2)CCC(CC)CC1)c1ccc2c(c1)CCCC2)N1CCCC1,GASRQOJKELDSQV-UHFFFAOYSA-N
-rxn:2:144205:171582,CCCC(C(Nc1n[nH]c(C2CC2)c1-c1ccc(CC)cc1)c1ccc2c(c1)CCCC2)N1CCCC1,IRTYBYHIELERLW-UHFFFAOYSA-N
-rxn:2:144454:171582,CCCC(C(Nc1c2c(nc3ccc(OC)cc13)CCCCC2)c1ccc2c(c1)CCCC2)N1CCCC1,QQZNYLIAHNFINY-UHFFFAOYSA-N
-rxn:2:148511:171582,CCCC(C(NC1CCCc2cc(OCc3ncon3)ccc21)c1ccc2c(c1)CCCC2)N1CCCC1,FWWXHLJLMCRZAO-UHFFFAOYSA-N
-rxn:2:150817:126170,CCCC(C(NCc1nn2c(c1-c1ccc(OC)cc1)CCC2)c1ccc2c(c1)CCC2)N1CCCC1,GZAMIUONTJHPNT-UHFFFAOYSA-N
-rxn:2:151424:171582,CCCC(C(Nc1cn(-c2ccc(CC)cc2)nc1C1CCC1)c1ccc2c(c1)CCCC2)N1CCCC1,VVPQBZAGEJMZCJ-UHFFFAOYSA-N
-rxn:2:155852:126170,CCCC(C(Nc1nc2ccc(OC3CCCC3)cc2s1)c1ccc2c(c1)CCC2)N1CCCC1,CLDDMHIKARJMSI-UHFFFAOYSA-N
-rxn:2:157407:155396,CC(=O)c1ccc(C2C(CSC(C)NC3(c4c[nH]c5nc(C)c(C)nc45)CCCCC3)C2(F)F)nc1,HNFITDJNALYRBD-UHFFFAOYSA-N
-rxn:2:163507:172704,CCOc1c(OC)[nH]c2nc(NC(C)c3cncc(C(F)(F)C(=N)SC4CCCC4)c3)nn2c1=O,RQEIHHNGHROUAQ-UHFFFAOYSA-N
-rxn:2:163833:155396,CC(=O)c1ccc(C2C(CSC(C)Nc3c(N(C)C4CCCC4)ccc4scnc34)C2(F)F)nc1,RUUJUDZLZFVMIG-UHFFFAOYSA-N
-rxn:2:164144:171582,CCCC(C(Nc1[nH]nc(C)c1-c1ccc(OCC)cc1C)c1ccc2c(c1)CCCC2)N1CCCC1,UAXQEHUCKTXYHR-UHFFFAOYSA-N
-rxn:2:167182:171582,CCCC(C(Nc1cn(-c2ccc(CC)cc2)nc1C1CC1)c1ccc2c(c1)CCCC2)N1CCCC1,VZKJIEUNXWTWFV-UHFFFAOYSA-N
-rxn:2:167459:126170,CCCC(C(Nc1nc(OCC2CCCCC2)c2[nH]cnc2n1)c1ccc2c(c1)CCC2)N1CCCC1,GBIHGCBTGKQGBV-UHFFFAOYSA-N
-rxn:2:167751:172704,COc1cc(OC)c(-c2[nH]ncc2NC(C)c2cncc(C(F)(F)C(=N)SC3CCCC3)c2)c(OC)c1,GZUKGMLBGHKXTN-UHFFFAOYSA-N
-rxn:2:66038:157069,COc1cc(-c2ccnc(OC3CC3)c2)cnc1C(C)NC1CCC(OS(C)(=O)=O)CC1,IBVQYWZUABPCIN-UHFFFAOYSA-N
-rxn:2:66060:109579,CCCCC1CCC(c2cc(NC3CCC(c4cccc(C)c4)(N(C)C)CC3)[nH]n2)CC1,GFFXSYRCFJQDEL-UHFFFAOYSA-N
-rxn:2:66216:139138,CC1(C)C2CCC1(CS(=O)(=O)[O-])C(NCC(c1cccs1)N1CCOCC1)C2,PPQMEFNXNBUUNQ-UHFFFAOYSA-M
-rxn:2:66318:172108,CCCC(NC1CCN(CC2(F)CCSCC2)CC1)c1ccc(-c2[nH]nc3cc(OC)ccc23)cc1,UYEGWIKDSYRIHE-UHFFFAOYSA-N
-rxn:2:66678:73124,CC(=O)c1cncc(C#CCCSC(C)Nc2nccnc2OCCN2CCOCC2)c1,GBJACYQXDFBOGW-UHFFFAOYSA-N
-rxn:2:66790:95986,CC#CC1(F)CC(NC(c2ccc(CN3CCCC3)cc2)C2CCC2)C1,ZTRNNYOBINBTCD-UHFFFAOYSA-N
-rxn:2:66851:123260,CCOC1CCCN(c2[nH]c(C)nc2NC2CCC(c3ccccn3)(N(C)C)CC2)C1,BVPNGFQVIQXVKU-UHFFFAOYSA-N
-rxn:2:66913:168973,CCCC(NCCN1CCC2(CC(OC)CCO2)C1)c1ccc(-c2cc3cc[nH]c3nc2C)cc1,VHOITKLPRIGXBR-UHFFFAOYSA-N
-rxn:2:66991:126170,CCCC(C(NC1CN(Cc2ccc(OC)cc2)C1)c1ccc2c(c1)CCC2)N1CCCC1,VPGCTZSYHNZVCS-UHFFFAOYSA-N
-rxn:2:67477:126170,CCCC(C(Nc1ccnc(OC2CCCC2)c1)c1ccc2c(c1)CCC2)N1CCCC1,MUJAPZGQPMYZHS-UHFFFAOYSA-N
-rxn:2:68220:88564,CC12COC3(S(=O)(=O)[O-])C1CCC2(C)C3NCC1CC(C[Si](C)(C)C)C1,BOLIBDBEEZSMCW-UHFFFAOYSA-M
-rxn:2:68426:73038,CCC(Nc1ncn(COC2CCCC2)n1)c1cnc(N2CCN(CC)CC2)cc1C,XPGBXKCUVBTIPS-UHFFFAOYSA-N
-rxn:2:68654:165217,COC1CCC(N2CCC(NC3COc4cccc(-c5cnn(S(C)(=O)=O)c5)c43)CC2)CC1,HZSISZUPWCQDKN-UHFFFAOYSA-N
-rxn:2:69724:126600,Cc1ccc(C(C)NC2CCOC3(CCCN(C)C3)C2)c(OS(=O)(=O)F)c1,LMZPOJUXYFMGGJ-UHFFFAOYSA-N
-rxn:2:70561:126600,Cc1ccc(C(C)NCC(CN2CCCC2)C2CC2)c(OS(=O)(=O)F)c1,FJXQEWKRHPLAHL-UHFFFAOYSA-N
-rxn:2:70683:134280,COCc1cc(OS(=O)(=O)F)ccc1NC1CCOC12CCS(=O)(=O)CC2,GVELCIJRCGWHFX-UHFFFAOYSA-N
-rxn:2:71152:107617,CCOC1CCN(CC(NC2(c3n[nH]c(C4CC4)n3)CCC(CC)CC2)c2ccccc2)CC1,FATKFJSSVATBIL-UHFFFAOYSA-N
-rxn:2:71614:136378,COCC#Cc1cc(CNC2CCN(CCOS(C)(=O)=O)CC2)ccn1,YOARMARMMUVJGA-UHFFFAOYSA-N
-rxn:2:73164:147764,CCCCCC1CCC(NCC(c2ccc3[nH]c(C4CC4)nc3c2)N(C)C)CC1,IDGZNCWKNUYFJF-UHFFFAOYSA-N
-rxn:2:73538:76140,CC#CCC(NC1CCC(C2CCC(C)(C)CC2)CC1)c1ccccc1C,NFGOILRJXYEJTQ-UHFFFAOYSA-N
-rxn:2:73538:77940,CC#CCC(NC1CCC([C@H]2CC[C@H](c3ccc(C)cc3)CC2)CC1)c1ccccc1C,FEOBGPNFIIYTSF-YKASGRDRSA-N
-rxn:2:74153:155396,CC(=O)c1ccc(C2C(CSC(C)Nc3cccnc3N3CCC(N(C)C)CC3)C2(F)F)nc1,MUTUHCFKCQYJBK-UHFFFAOYSA-N
-rxn:2:74888:159435,CC(NCC(C1CCOC1)N1CCC(N(C)C)CC1)c1ccc(-n2ccc3nnsc3c2=O)cc1,KUOMYSJYQYSRTF-UHFFFAOYSA-N
-rxn:2:75173:78054,CCCC1CCC(NC2(c3cccc(C4CCOCOC4)c3)CC2)C(OC)C1,ZBNBVHCOIYJBDN-UHFFFAOYSA-N
-rxn:2:75655:139138,CC1(C)C2CCC1(CS(=O)(=O)[O-])C(NCC(CN1CCOCC1)c1cccs1)C2,BTOOEZBMVIKOSQ-UHFFFAOYSA-M
-rxn:2:75815:126170,CCCC(C(NC1CCCN(Cc2ccc(OC)cc2)C1)c1ccc2c(c1)CCC2)N1CCCC1,FGWGUJIIVIXCIP-UHFFFAOYSA-N
-rxn:2:76179:152258,CCC(NCCC[C@H]1CC[C@@H](OC)CC1)c1cccc(-c2cnc(N3CCOCC3)nc2)c1,FQEHHMMZNJBATR-OILLYGADSA-N
-rxn:2:76179:157142,CO[C@H]1CC[C@@H](CCCNC(c2ccccc2)c2ccc(N3CCOCC3)nc2C)CC1,PVKMDRHZEJTLPM-PAZKDMBFSA-N
-rxn:2:76179:169347,CO[C@H]1CC[C@@H](CCCNC2CCCc3cc(-c4cccnc4OC(C)(C)C)ccc32)CC1,JVHHHTZRGPENPJ-PMYCBEDMSA-N
-rxn:2:76179:169450,CCC(C)c1ccccc1-c1cnn(C2CCC(NCCC[C@H]3CC[C@@H](OC)CC3)CC2)c1,XGZUYOXFJSQFSA-XMAXKRQCSA-N
-rxn:2:76179:78215,CO[C@H]1CC[C@@H](CCCNC2CCN(c3ccc4c(c3)OCO4)C2(C)C)CC1,ZZZGFJVFSHKFIB-RYKNDIGVSA-N
-rxn:2:76179:80088,CO[C@H]1CC[C@@H](CCCNC(CC2=NCCO2)c2ccc3c(c2)OCO3)CC1,JSYZIGRZKXOZIW-TWJQXLOASA-N
-rxn:2:76519:155396,CC(=O)c1ccc(C2C(CSC(C)NC3(C)CN(C)CCN(C)C3)C2(F)F)nc1,YLIVXGIMLXYOQT-UHFFFAOYSA-N
-rxn:2:76532:118545,COC1CCOC2(CCN(CCCNC(c3ccc4cc[nH]c4n3)C(C)C)CC2)C1,KSTPLOIELZCTCR-UHFFFAOYSA-N
-rxn:2:76532:142615,CCC(NCCCN1CCC2(CC1)CC(OC)CCO2)c1ccc(-n2nnnc2-c2ccccn2)cc1,AMPFPGOTLVXNOU-UHFFFAOYSA-N
-rxn:2:76532:150062,COC1CCOC2(CCN(CCCNC(Cc3nc4ccccc4o3)c3sccc3C)CC2)C1,SGAGVCRQELZBLA-UHFFFAOYSA-N
-rxn:2:76532:158132,CCSc1ccc(-c2cnc(C(C)NCCCN3CCC4(CC3)CC(OC)CCO4)[nH]2)cc1,FTXDEVCNMLVMMK-UHFFFAOYSA-N
-rxn:2:76532:158347,CCC(NCCCN1CCC2(CC1)CC(OC)CCO2)c1ccc(-c2c[nH]nc2C)cc1C,CABZSNXDBDZNSC-UHFFFAOYSA-N
-rxn:2:76532:158674,CCC(NCCCN1CCC2(CC1)CC(OC)CCO2)c1ccc(-c2ccn(C3COC3)n2)cc1,IQKYRBAKBLNDAY-UHFFFAOYSA-N
-rxn:2:76532:160246,COC1CCOC2(CCN(CCCNC(Cc3nc4ccccc4o3)c3cc(C)ccc3C)CC2)C1,MLHXRBVBUFPKIJ-UHFFFAOYSA-N
-rxn:2:76532:161081,CCC(NCCCN1CCC2(CC1)CC(OC)CCO2)c1ccc(-c2ccc(-c3nnn(C)n3)nc2)cc1,LWJQAGQAQQTWPL-UHFFFAOYSA-N
-rxn:2:76532:162116,CCC(NCCCN1CCC2(CC1)CC(OC)CCO2)c1c(-c2ccncc2)noc1C,LSAJATJMYPPNSE-UHFFFAOYSA-N
-rxn:2:76532:162251,COC1CCOC2(CCN(CCCNC(c3ccc4c(c3)OCCO4)c3ccccn3)CC2)C1,MGIRHNFVZWCUSI-UHFFFAOYSA-N
-rxn:2:76532:166812,COC1CCOC2(CCN(CCCNC(Cc3nc4ccccc4o3)c3ccccc3C)CC2)C1,SYHZTBLQXZLJJP-UHFFFAOYSA-N
-rxn:2:76532:170209,COC1CCOC2(CCN(CCCNC(Cc3ccc4ccccc4n3)c3sccc3C)CC2)C1,APIGMLLAGMFWAW-UHFFFAOYSA-N
-rxn:2:76532:171290,COC1CCOC2(CCN(CCCNC(CSc3nc4ccccc4[nH]3)c3ccc(C)cc3C)CC2)C1,XVVAMNRKRCGWMD-UHFFFAOYSA-N
-rxn:2:76532:172281,COC1CCOC2(CCN(CCCNC(Cc3nc4ccccc4s3)c3sccc3C)CC2)C1,OOOJGEVLXVMLES-UHFFFAOYSA-N
-rxn:2:76532:172581,COC1CCOC2(CCN(CCCNC(c3ccc(-c4cc5cc[nH]c5nc4C)cc3)C(C)C)CC2)C1,CXKSEBJRFXBSAR-UHFFFAOYSA-N
-rxn:2:76532:173192,CCCC(NCCCN1CCC2(CC1)CC(OC)CCO2)c1ccc(-c2ccc3cc[nH]c3c2C)cc1,HLMAHBFFHNPFPF-UHFFFAOYSA-N
-rxn:2:76532:84592,CCCc1ccc(C(NCCCN2CCC3(CC2)CC(OC)CCO3)c2cccnc2)cc1,ABJQGNOGWRYOPD-UHFFFAOYSA-N
-rxn:2:76659:109579,CCCCC1CCC(c2cc(NC(c3cc(C)ccc3OC(C)C)C3CC3)[nH]n2)CC1,NDWNRCQJANOVMZ-UHFFFAOYSA-N
-rxn:2:77349:102793,CC(CC(C)(C)S(=O)(=O)c1cccs1)NOC[C@@H]1[C@@H]2CCC#CCC[C@@H]21,KTKPORRUTDOOAN-XQJIBGEZSA-N
-rxn:2:77361:139138,CC1CCCCN1Cc1ccc(C#CCNC2CC3CCC2(CS(=O)(=O)[O-])C3(C)C)cc1,KIJCEMHUTUIBGD-UHFFFAOYSA-M
-rxn:2:77965:155396,CC(=O)c1ccc(C2C(CSC(C)NCC34COCCN3CCOC4)C2(F)F)nc1,BPPCJUJWFWFBFG-UHFFFAOYSA-N
-rxn:2:78113:103149,CN1[C@@H]2CC[C@H]1CC(NCC(C)(C)N1CCCCCC1)C2,FNKRTBALMYLELS-ALOPSCKCSA-N
-rxn:2:79025:168837,Cc1cc2c(cc1-c1cnn(S(C)(=O)=O)c1)C(Nc1cc(N3CCN(C4CCCC4)CC3)ncn1)CC2,DHQZWWVNDPFKOX-UHFFFAOYSA-N
-rxn:2:79917:136205,CC(=O)c1cn(C2CCC2SC(C)NCC(F)(F)CN2CCSC(C)CC2)nn1,FCEUVSCCAAZMOW-UHFFFAOYSA-N
-rxn:2:79966:143973,CN1CCCC(c2ccnc(C3(NC4CCN(C5=NS(=O)(=O)c6ccccc65)CC4)CC3)n2)C1,IYRYQZPFHXDRGU-UHFFFAOYSA-N
-rxn:2:80311:161239,COc1cccc(C(CSc2n[nH]c(=O)[nH]c2=O)NC(C)(C)CO[Si](C)(C)C(C)(C)C)c1,FUVWONDMYAIPGP-UHFFFAOYSA-N
-rxn:2:80429:152541,CC(CC(C)(C)n1[se]c2cccnc2c1=O)NCC(F)(F)CN1CC(C)SC(C)C1,LWZXAINRCKPIDK-UHFFFAOYSA-N
-rxn:2:80483:143818,COCC12CCC(NC(C)CC(c3ccc4[nH]c(=O)[nH]c4c3)N(C)C)(CC1)CC2,DQEWOGQFESEAQW-UHFFFAOYSA-N
-rxn:2:80875:136378,COCC#Cc1cncc(CNC2CCN(CCOS(C)(=O)=O)CC2)c1,NGEXYPDZKZBZGL-UHFFFAOYSA-N
-rxn:2:82725:126076,CCCCC(NC1CCC(C(c2cccnc2)N(C)C)CC1)c1ccc2c(c1)CCCC2,REUCIVOKNZCFQT-UHFFFAOYSA-N
-rxn:2:84269:126600,Cc1ccc(C(C)NCCN2CCN(C3CCN(C)CC3)CC2)c(OS(=O)(=O)F)c1,SFRYZWXLWXZMPT-UHFFFAOYSA-N
-rxn:2:84594:125860,CN(C1CCC(NC2CC3CCCC2C3)CC1)C(C)(C)C,VQITVDTUSZEHCK-UHFFFAOYSA-N
-rxn:2:84594:81805,CN(C1CCC(N[C@H]2CC[C@@H]3CCC[C@@H]32)CC1)C(C)(C)C,CIDGHGDKTJEBBJ-FHZKDXSVSA-N
-rxn:2:84594:96410,CN(C1CCC(N[C@H]2[C@@H]3CCCC[C@@H]32)CC1)C(C)(C)C,KUNMRPSZCGRLSV-NDQLQDMOSA-N
-rxn:2:84594:97288,CN(C1CCC(NC2CC3CCC(C2)N3C2CCC2)CC1)C(C)(C)C,RPISYMIWKKZGBV-UHFFFAOYSA-N
-rxn:2:85455:134307,CCCC(Nc1ccn(C2CCC(F)C2)n1)C1CCCCN1CC1CC1,QSKKSMMSSAGJIC-UHFFFAOYSA-N
-rxn:2:85945:168837,Cc1cc2c(cc1-c1cnn(S(C)(=O)=O)c1)C(NC1CCC(c3nncn3C3CCCC3)CC1)CC2,PTBMBEOJQMQSTG-UHFFFAOYSA-N
-rxn:2:86111:171582,CCCC(C(Nc1cccc(OC2CCC2)n1)c1ccc2c(c1)CCCC2)N1CCCC1,FSUBMJUGTHEWHC-UHFFFAOYSA-N
-rxn:2:87240:73038,CCC(Nc1cc(N2CCC(OC)CC2)nc(C)n1)c1cnc(N2CCN(CC)CC2)cc1C,GUVJKRPMEKMCLC-UHFFFAOYSA-N
-rxn:2:87274:136378,CC#CCOc1ncccc1CNC1CCN(CCOS(C)(=O)=O)CC1,IPYPAMALSHKDEQ-UHFFFAOYSA-N
-rxn:2:87384:105657,CN(C1CC(NC2C[C@H]3CC[C@H]3C2)C12CCC2)C(C)(C)C,ZBYXVKBUDPMAHP-JJXSXHAKSA-N
-rxn:2:88214:118146,CCCC1CCC(C2CCC(NC3(c4ccccc4)CC[Si](C)(C)CC3)CC2)CC1,WZCWTWSCZVLYDA-UHFFFAOYSA-N
-rxn:2:88937:109592,CC1CC(C(C)NC2CCCC2N(C)C)CC(C)(C)C1,SLYBDOOFGRXHEK-UHFFFAOYSA-N
-rxn:2:89089:111495,O=S(=O)(F)c1ccc(C2CC2CCNC2CCC(c3ncc(C4CCC4)[nH]3)CC2)cc1,TWWIPKICPZTOPO-UHFFFAOYSA-N
-rxn:2:89309:136378,CC(NC1CCN(CCOS(C)(=O)=O)CC1)c1ccc(OCC2CC2)cn1,RSNCHLNYUKNRAS-UHFFFAOYSA-N
-rxn:2:91059:140192,CC(=O)c1cn([C@H]2C[C@@H](CSC(C)NCC(F)(F)CN3CCOCC3)C2)nn1,DDXMIHHJCJCMLA-MQVJKMGUSA-N
-rxn:2:92785:137038,CC1(C)Cc2ccc(C(C)(C)C)cc2C(NC2C3CCOC3C23CCC3)C1,PLNDYGDFVZTNMM-UHFFFAOYSA-N
-rxn:2:93771:126170,CCCC(C(NC(c1cccnc1)C1CC(OC)C1)c1ccc2c(c1)CCC2)N1CCCC1,NQZFZGNYBPOAGY-UHFFFAOYSA-N
-rxn:2:93952:166817,CCC(COC1CCCC(C)C1)NC1CCN(C2Cc3cccc4cccc2c34)CC1,YELYDEXNJOAWTD-UHFFFAOYSA-N
-rxn:2:94006:101165,CCC[C@H]1CC[C@H](c2ccc(C(C)Nc3cnc(OCC4CCCN(C5CC5)C4)nc3)cc2)CC1,KVXOPPMAPVJURH-RHMIKRRMSA-N
-rxn:2:95064:73401,CCC1CCC(C2CCC(NC3c4ccccc4CC3(C)C)CC2)CC1,XEISMQVCGGFKRS-UHFFFAOYSA-N
-rxn:2:95500:155396,CC(=O)c1ccc(C2C(CSC(C)Nc3cn(CC4CCOC4)c(=O)[nH]c3=O)C2(F)F)nc1,SHGYJQPVMKFFPU-UHFFFAOYSA-N
-rxn:2:95561:103947,CN1[C@H]2CCC(NCC3CCCCN3C(C)(C)C)[C@@H]1CC2,JVOIKVAKXBGKOF-OTBWCIGPSA-N
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-rxn:4:173723:224300,COc1cc(C(=O)N2CCSCC2)ccc1-c1ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc1,VSSBPIMLIWHWFU-UHFFFAOYSA-N
-rxn:4:173723:224751,O=C(COS(=O)(=O)C(F)(F)F)c1ccc(-c2ccc(F)c(C(=O)N3CCOCC3)c2)cc1,QNAZNHLWLMYWRP-UHFFFAOYSA-N
-rxn:4:173802:225386,O=[N+]([O-])c1cc(C(F)(F)F)c(F)cc1-c1ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc1,GOPINMDJROKZFI-UHFFFAOYSA-N
-rxn:4:173802:225516,CN(C)CCCOc1ccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)cc1,SLWHQKLGHOTSNP-UHFFFAOYSA-N
-rxn:4:173808:226844,O=C(c1cc(-c2cccc(C(F)(F)F)c2OC(C(F)(F)F)C(F)(F)F)ccn1)C(F)(F)F,RVDNXCUZNWPLNN-UHFFFAOYSA-N
-rxn:4:173809:226128,O=C(CC1CC1)c1ccc(-c2cc(C(F)(F)F)ccc2OC(C(F)(F)F)C(F)(F)F)cc1,QEUKJJUCCIAWOD-UHFFFAOYSA-N
-rxn:4:173809:226844,O=C(c1cc(-c2cc(C(F)(F)F)ccc2OC(C(F)(F)F)C(F)(F)F)ccn1)C(F)(F)F,HQYQFPDDXRABCH-UHFFFAOYSA-N
-rxn:4:173811:223179,CONC(=O)c1cc(-c2ccc(OC(C(F)(F)F)C(F)(F)F)c(C(F)(F)F)c2)ccc1F,CILFYXNXDYZPMA-UHFFFAOYSA-N
-rxn:4:173928:222604,CCOC(=O)Cc1ccc(C(F)(F)F)cc1-c1ccc(OC)c(S(=O)(=O)NC2CCCC2)c1,UVNGYRNIPZLVRX-UHFFFAOYSA-N
-rxn:4:173933:223846,Cc1cc(-c2ccc(OC(F)(F)F)cc2OCC2CC2)cc(C2CC3CCC2(C)C3(C)C)c1,PSIGPSLZPLCEMS-UHFFFAOYSA-N
-rxn:4:174378:224590,COc1ccc(-c2ccc(CN3CCC(C)CC3)cc2F)cc1OCCC1OCCCO1,XUPGVALZUSYGAQ-UHFFFAOYSA-N
-rxn:4:174407:222829,CNS(=O)(=O)c1ccc(-c2cccc(C3(C(=O)OC)CC(OC)(OC)C3)c2)c(C(F)(F)F)c1,WLIRRRNGWJIOIO-UHFFFAOYSA-N
-rxn:4:174407:224596,COC(=O)C1(c2cccc(-c3ccc(N4CCCCC4C)cc3OC)c2)CC(OC)(OC)C1,JKCVUUXLPOZEAS-UHFFFAOYSA-N
-rxn:4:174407:224975,CCN1CCN(c2ccc(-c3cccc(C4(C(=O)OC)CC(OC)(OC)C4)c3)cc2)CC1,MTMNZPDRGHMSSQ-UHFFFAOYSA-N
-rxn:4:174409:223492,CCCCc1ccc(C(=O)c2cccc(-c3ccc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c(C)c3)c2)cc1,ORFNDZRHISOSKB-UHFFFAOYSA-N
-rxn:4:174437:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2cc(CC3(C(=O)OC(C)(C)C)CC3)ccc2F)cc1,DSDOKVYNLJDTFD-UHFFFAOYSA-N
-rxn:4:174450:225726,CCOC(=O)c1ccc(-c2cc(O[C@@H]3CCOC3)cc(C(=O)OC(C)(C)C)c2)cc1OC,XWLSQSFGSLJPEI-LJQANCHMSA-N
-rxn:4:174483:224371,COC(=O)C1CCN(c2ncc(-c3ccc(OC)c(CO[Si](C)(C)C(C)(C)C)c3)cn2)CC1,MZXAEHUFCYVKRY-UHFFFAOYSA-N
-rxn:4:174514:222829,CNS(=O)(=O)c1ccc(-c2cccc(O[Si](C(C)C)(C(C)C)C(C)C)c2)c(C(F)(F)F)c1,ASALHTBQPDXYBY-UHFFFAOYSA-N
-rxn:4:174518:224426,CC(C)[Si](Oc1ccc(F)c(-c2cc(C3CCCCC3)cc(C3CC3)c2)c1)(C(C)C)C(C)C,ISSDJSICKZJEJL-UHFFFAOYSA-N
-rxn:4:174522:222758,Cc1cc(-c2ccc(C#C[Si](C(C)C)(C(C)C)C(C)C)cc2)ccc1NC(=O)OC(C)(C)C,NUBAMSIIGNQXLR-UHFFFAOYSA-N
-rxn:4:174543:225285,COC(=O)C12CC(COc3ccc(-c4cnc(CC(C)C)c(C(F)(F)F)c4)cc3Cl)(C1)C2,WTWWHOHLGNBFLQ-UHFFFAOYSA-N
-rxn:4:174647:223179,CONC(=O)c1cc(-c2ccc(C3OC4(C(=O)c5ccccc5C4=O)C(C(=O)OC)=C3C(=O)OC)cc2)ccc1F,OMXJQEWJZBDSSX-UHFFFAOYSA-N
-rxn:4:174647:223279,COC(=O)C1=C(C(=O)OC)C2(OC1c1ccc(-c3cnc(C4CCCN4)nc3)cc1)C(=O)c1ccccc1C2=O,DPXDIDAFDGEYLJ-UHFFFAOYSA-N
-rxn:4:174647:226844,COC(=O)C1=C(C(=O)OC)C2(OC1c1ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc1)C(=O)c1ccccc1C2=O,ZYOAZEUGKJFJOG-UHFFFAOYSA-N
-rxn:4:174709:223842,COC(=O)c1ccc(OC(F)F)c(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC(C)CC2)c1,IHAZFWMUBYEINQ-UHFFFAOYSA-N
-rxn:4:174751:223743,Cc1ccc(-c2cc(OCC(F)(F)F)cc(C(F)(F)F)c2)cc1OCCCN1CCC(C)CC1,YFPSHPSAUBXXBY-UHFFFAOYSA-N
-rxn:4:174837:224337,COc1ccc(-c2cnc(C(F)(F)F)c(C3CCCCC3)c2)cc1OS(=O)(=O)C(F)(F)F,RZHSAUQGNDHHPM-UHFFFAOYSA-N
-rxn:4:175267:224009,COC(=O)c1cc(-c2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)c(C(=O)OC)cc1C,XTXVWHUSOVDOOK-UHFFFAOYSA-N
-rxn:4:175315:223493,COC(=O)c1cc(-c2cc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)ccc2C)ccc1OC(C)C,ZZSORWRKANGUKJ-UHFFFAOYSA-N
-rxn:4:175321:223638,COc1cc(CC(C)=O)c(-c2cccc(C3CCCN(C(=O)OC(C)(C)C)C3)c2)cc1OC,AXORXYQBQRHEJG-UHFFFAOYSA-N
-rxn:4:175415:223712,CCOC(=O)C1OC1(C)c1cccc(-c2ccc(OC)c(C34CC5CC(CC(C5)C3)C4)c2)c1,LVQLFJIYLOIXQV-UHFFFAOYSA-N
-rxn:4:175596:224496,CCN1CCN(Cc2cccc(-c3cc(C(=O)OC(C)(C)C)cc(C(F)(F)F)c3)c2)CC1,FIWDMPIANCTRCO-UHFFFAOYSA-N
-rxn:4:175702:223712,COC(=O)C(C)(C)c1ccc(OC)cc1-c1ccc(OC)c(C23CC4CC(CC(C4)C2)C3)c1,PMIDNZOLISWCGI-UHFFFAOYSA-N
-rxn:4:175793:223645,CCOC(=O)C1CCCN(C(=O)c2cccc(-c3ccc(-c4cccc(C(=O)OC)c4)cc3C(F)(F)F)c2)C1,CKLGXSSGGOQNHW-UHFFFAOYSA-N
-rxn:4:175802:223838,CN(C)S(=O)(=O)N1CCN(c2ccc(-c3ccc(CCC(=O)C(C)(C)C)cc3)cc2)CC1,XWJUOYVAQBCPTA-UHFFFAOYSA-N
-rxn:4:176018:224599,COc1cc(-c2cc(C(=O)C3CCCCC3)ccc2F)c(F)cc1OCC1CCCCC1,RIWIKMLLMQHILD-UHFFFAOYSA-N
-rxn:4:176044:222838,CC(C)OC(=O)c1cc(C2(C)OCCO2)ccc1-c1ccc(CNC(=O)C(C)(C)C)cc1,FICMTMQJDOZTII-UHFFFAOYSA-N
-rxn:4:176044:224842,CC(C)OC(=O)c1cc(C2(C)OCCO2)ccc1-c1ccc2c(c1)C(C)(C)CCC2(C)C,MPJYKXRQXCLWKL-UHFFFAOYSA-N
-rxn:4:176064:223533,COc1ccc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)cc2F)cc1S(=O)(=O)Oc1cc(C)ccc1C,KSSIXSNXQWYPKZ-UHFFFAOYSA-N
-rxn:4:176131:223954,CC(C)(C)Sc1cc(SC(C)(C)C)cc(-c2ccc(OCCN3CCC(=O)CC3)c(F)c2)c1,IMMQQUDTIPGJAC-UHFFFAOYSA-N
-rxn:4:176131:224251,CC1CCCN(C(=O)c2ccc(-c3cc(SC(C)(C)C)cc(SC(C)(C)C)c3)c(F)c2)C1,HKMQKLKFVTWCRL-UHFFFAOYSA-N
-rxn:4:176165:223846,Cc1cc(-c2cc(C(=O)OC(C)(C)C)cc(-c3cc(C)ccc3F)c2)cc(C2CC3CCC2(C)C3(C)C)c1,BQYOJEHLVOALRY-UHFFFAOYSA-N
-rxn:4:176168:222875,CC(C)[Si](c1c(F)cc(-c2cc(C(=O)NC(C)(C)C)ccc2F)cc1F)(C(C)C)C(C)C,YXBKLRUFXBTFBY-UHFFFAOYSA-N
-rxn:4:176182:223899,COc1cc(C(=O)N(C(C)C)C(C)C)ccc1-c1ccccc1-c1c(C(C)C)cc(C(C)C)cc1C(C)C,OSNMDBBSVGZWTP-UHFFFAOYSA-N
-rxn:4:176201:224408,COC(=O)CCC1CC(=O)c2cc(-c3cc(C(F)(F)F)nn3C(=O)OC(C)(C)C)ccc2O1,LATVZOLXAYFXBT-UHFFFAOYSA-N
-rxn:4:176236:223529,CC(=O)COc1ccc2c(c1)OC(=Cc1ccccc1-c1ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)c(F)c1)C2=O,BFSUGALZCBSZHU-UHFFFAOYSA-N
-rxn:4:176308:226844,O=C1C(=Cc2ccccc2-c2ccnc(C(=O)C(F)(F)F)c2)Oc2cc(OC(=O)C3CCCCC3)ccc21,IIIUYCZXVRZUDO-UHFFFAOYSA-N
-rxn:4:176322:226082,CCC1(CC)CC(C)(C)c2c1cc1c(c2-c2ccc3ccc(OC)cc3c2)C(C)(C)CC1(CC)CC,XRFBPJHQBBAQLF-UHFFFAOYSA-N
-rxn:4:176425:223787,CN1CCN(CCCOc2ccc(-c3cccc(OC(F)(F)C(F)(F)F)c3)cc2F)CC1,RIVIULMMHKZWQX-UHFFFAOYSA-N
-rxn:4:176624:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3cc(F)cc(F)c3CC(=O)OC)c2)CC1,CJGWWDGNIDOEOV-UHFFFAOYSA-N
-rxn:4:176651:223559,COc1cccc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)c1C(=O)C(F)F,KKTBVNVLFWEUQW-UHFFFAOYSA-N
-rxn:4:176702:223669,COC(=O)c1cccc(C(F)(F)F)c1-c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1,ZXJJSQGVNBJXOA-UHFFFAOYSA-N
-rxn:4:177213:223528,CCS(=O)(=O)Cc1cc(F)cc(-c2ccc(F)c(CN3CCN(C(=O)OC(C)(C)C)CC3)c2)c1,MTOMFSLIWIWLAV-UHFFFAOYSA-N
-rxn:4:177400:223645,CCOC(=O)C1CCCN(C(=O)c2cccc(-c3cc(F)c(OC(C)C)cc3C(F)(F)F)c2)C1,NJTFTRTVHOSDEA-UHFFFAOYSA-N
-rxn:4:177486:223815,CS(=O)(=O)c1ccc(-c2ccc(Cl)c(CN3CCC4(CC3)OCCO4)c2)c(OC2CC2)c1,FEMNWRFPPIKSML-UHFFFAOYSA-N
-rxn:4:177980:223812,C#Cc1ccc(-c2cc(F)cc(CN3CCC4(CC3)OCCO4)c2)cc1OC1CCOCC1,UTDFSDVCJNXNHM-UHFFFAOYSA-N
-rxn:4:178330:224393,COC(=O)C1(c2ccc(-c3cc(C(F)(F)F)ccc3N3CCOCC3)cc2)CC2(C1)OCCO2,YFRGYYRMAHBOBQ-UHFFFAOYSA-N
-rxn:4:178372:222612,CC(C)(C)C1CCC(=O)C(Cc2ccc(-c3cc(S(=O)(=O)N4CCC(O)CC4)ccc3F)cc2)C1,FBDOQGIWVXWTES-UHFFFAOYSA-N
-rxn:4:178381:222874,CC(C)(C)NC(=O)c1cc(-c2c(C(C)(C)C)cc(C(C)(C)C)cc2C(C)(C)C)ccc1Cl,ATATVNYNUFARTC-UHFFFAOYSA-N
-rxn:4:178382:223930,Cc1cc2c(cnn2C(=O)OC(C)(C)C)cc1-c1cc(C(C)(C)C)c(C(C)(C)C)c(C(C)(C)C)c1,DJMNWCDEEAAZKG-UHFFFAOYSA-N
-rxn:4:178384:226432,Fc1nc(C2CCCC2)ccc1-c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1,AZGIUTHBNJSIDF-UHFFFAOYSA-N
-rxn:4:178384:229138,Fc1cc(Cl)ccc1-c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1,POIURBGJGCRLCT-UHFFFAOYSA-N
-rxn:4:178433:223810,CCOC(=O)C1COc2ccc(-c3cc(C)c(S(=O)(=O)N4CCC(C)CC4)c(C)c3)cc21,NQHKKKGQSYZXIU-UHFFFAOYSA-N
-rxn:4:178482:224351,COC(=O)C1=Cc2cc(-c3ccc(C4CCCCO4)c(C(F)(F)F)c3)cc(OC)c2OC1,OAYFDMJTYHQGOT-UHFFFAOYSA-N
-rxn:4:178588:224936,CC(C)(C)OC(=O)Cc1ccc(-c2ccc3c(c2)CCC(O[Si](C)(C)C(C)(C)C)C3)cc1,LGJBIDRZMPHLPK-UHFFFAOYSA-N
-rxn:4:178597:223195,CC(C)NCc1ccc(-c2ccc(OC(=O)C3OC4OC(C)(C)OC4C4OC(C)(C)OC34)cc2)cc1,OZFBMKOUEHNYGX-UHFFFAOYSA-N
-rxn:4:178597:226904,Cc1ccc(-c2ccc(OC(=O)C3OC4OC(C)(C)OC4C4OC(C)(C)OC34)cc2)c2ccccc12,ACRSGUMAYIOGIZ-UHFFFAOYSA-N
-rxn:4:178597:228194,Cc1nn(C(C)C)c(C)c1-c1ccc(OC(=O)C2OC3OC(C)(C)OC3C3OC(C)(C)OC23)cc1,GWPCJPIGSNORPX-UHFFFAOYSA-N
-rxn:4:178598:224426,COc1cc2c(cc1OC)C1CCCCC1OC2c1cccc(-c2cc(C3CCCCC3)cc(C3CC3)c2)c1,LPTOMLOVIZQMSK-UHFFFAOYSA-N
-rxn:4:178606:223497,CC(c1ccc(-c2ccc3c(c2)C(c2ccccc2)(c2ccc(C(C)(C)C)cc2)c2ccccc2-3)cc1)N1CCC(O[Si](C)(C)C(C)(C)C)CC1,BQILTGQVDZZMII-UHFFFAOYSA-N
-rxn:4:178705:223573,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3c(F)ccc(F)c3OC(F)(F)F)cc2)CC1,NPIGBOGQOMNIFH-UHFFFAOYSA-N
-rxn:4:180272:223712,COc1ccc(-c2cccc(SC3CCCCC3=O)c2)cc1C12CC3CC(CC(C3)C1)C2,DGAOSXNKVYOIJD-UHFFFAOYSA-N
-rxn:4:180532:222523,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc(C(C)(C)C)cc2C(C)(C)C)c(C(F)(F)F)c1,HAENFOMQQJSTDA-UHFFFAOYSA-N
-rxn:4:180792:225199,CCOC1CCC2(CC1)Cc1ccc(-c3cc(F)c(OC4CCCC4)c(F)c3)cc1C2=O,ORSVLNCCFLAIRR-UHFFFAOYSA-N
-rxn:4:181765:223482,O=S(=O)(c1cc(-c2ccccc2C2CC(F)(F)C2(F)F)ccc1OC(F)(F)F)N1CCC2(CC1)OCCO2,OOUJGMCWMOXDDQ-UHFFFAOYSA-N
-rxn:4:182359:222702,COC1CCC2(CC1)Oc1ccc(-c3cc(C4CCCNC4)ccc3C(F)(F)F)cc1C2=O,OOWREPPREAQJHC-UHFFFAOYSA-N
-rxn:4:182367:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc2c(c1)C(=O)C1(CCC(C(F)F)CC1)C2,SFJGUYQMNGTICV-UHFFFAOYSA-N
-rxn:4:182368:223754,CC1CCN(CCCOc2ccc(-c3ccc4c(c3)C(=O)C3(CCC(C(F)(F)F)CC3)C4)cc2Cl)CC1,KHDIAZWQYHZEBP-UHFFFAOYSA-N
-rxn:4:182372:222657,CO[C@H]1CC[C@]2(CC1)Cc1ccc(-c3ccc(F)c(C(=O)NC4CCCCC4)c3)cc1C2=O,QKDIGTCCSORHIK-RSIILCRJSA-N
-rxn:4:182374:222543,CC(=O)c1cc2c(cc1-c1ccc(C3(NC(=O)OC(C)(C)C)CC3)cc1)C(C)(C)CCC2(C)C,MCZDPHKLNYVCMB-UHFFFAOYSA-N
-rxn:4:182724:223491,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cccc4c3OCC4)cc(C(F)(F)F)c2)CC1,OGEGWVOJECGEFQ-UHFFFAOYSA-N
-rxn:4:183272:222516,Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCO3)cc1,KDALWVBCRWMWHL-UHFFFAOYSA-N
-rxn:4:183272:223279,c1cc2c(cc1-c1cnc(C3CCCN3)nc1)OCCOCCOCCOCCOCCO2,MZYFOELDBATMFY-UHFFFAOYSA-N
-rxn:4:183272:226062,CC(C)c1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCO3)cc(C(C)C)c1,MXWAVORECQSVQC-UHFFFAOYSA-N
-rxn:4:183272:226844,O=C(c1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCO3)ccn1)C(F)(F)F,NVKCWQOWSFFZHF-UHFFFAOYSA-N
-rxn:4:183272:227445,Clc1ncc(-c2ccc3c(c2)OCCOCCOCCOCCOCCO3)cc1C1CCC1,QSJFCWFNCDKTPC-UHFFFAOYSA-N
-rxn:4:183273:223106,OC1CCN(c2ncc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)c(Cl)n2)C1,JABUEMAREPYJIH-UHFFFAOYSA-N
-rxn:4:183273:223179,CONC(=O)c1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)ccc1F,YPEZQNPELACRQE-UHFFFAOYSA-N
-rxn:4:183273:226844,O=C(c1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)ccn1)C(F)(F)F,JKWCPECYNCBQNL-UHFFFAOYSA-N
-rxn:4:183273:227961,Cc1nc(C2CC2)ccc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,YTWZXVMMDSKJAX-UHFFFAOYSA-N
-rxn:4:183273:228800,CSc1ccc(F)cc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,PQWBFRIAEITHND-UHFFFAOYSA-N
-rxn:4:183274:223279,c1cc2c(cc1-c1cnc(C3CCCN3)nc1)OCCOCCOCCOCCOCCOCCOCCO2,JWIJQCNHRJWGES-UHFFFAOYSA-N
-rxn:4:183379:225199,CC1(C)C=Cc2c3c(cc(-c4cc(F)c(OC5CCCC5)c(F)c4)c2O1)C(=O)OC(C)(C)O3,GWTHJSWBBPSLRI-UHFFFAOYSA-N
-rxn:4:183468:223688,CCOCCOc1cc(-c2cc(S(=O)(=O)N3CCN(CC)CC3)ccc2OC)ccc1C#N,UWHGNMXKQIKOJL-UHFFFAOYSA-N
-rxn:4:183483:224379,CCOC(=O)CC(=O)c1cc(-c2ccccc2S(=O)(=O)N2CCN(C)CC2)cc([N+](=O)[O-])c1,JHZSULIMCMAKDX-UHFFFAOYSA-N
-rxn:4:183673:225168,CCN(CC)S(=O)(=O)c1ccc(-c2ccc(CN3CCOCC3)c(F)c2)cc1OC(F)(F)F,RZJVYNYCTCUYKL-UHFFFAOYSA-N
-rxn:4:183693:223179,CONC(=O)c1cc(-c2ccc(OC(F)(F)F)c(CN3CC(C(=O)OC)C3)c2)ccc1F,KAXYSSRJKGZKCZ-UHFFFAOYSA-N
-rxn:4:183695:223179,CONC(=O)c1cc(-c2cc(OC(F)(F)F)ccc2OCC(=O)N2CCCC2)ccc1F,VMWJUMUREBJGHR-UHFFFAOYSA-N
-rxn:4:183696:223179,CONC(=O)c1cc(-c2ccc(OC(F)(F)F)cc2OCC(=O)N2CCCC2)ccc1F,CTWFRHJXJDJWCH-UHFFFAOYSA-N
-rxn:4:183704:223279,O=C(OC(F)(F)F)N1CCC[C@H]1COc1ccc(-c2cnc(C3CCCN3)nc2)cc1F,LUZORROCVUGZMR-MYJWUSKBSA-N
-rxn:4:183704:226844,O=C(OC(F)(F)F)N1CCC[C@H]1COc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1F,STVYMTNDYNSKHX-ZDUSSCGKSA-N
-rxn:4:183704:227275,CCCOc1c(F)cccc1-c1ccc(OC[C@@H]2CCCN2C(=O)OC(F)(F)F)c(F)c1,KSAFOELQQGIYGN-HNNXBMFYSA-N
-rxn:4:183730:223179,CONC(=O)c1cc(-c2ccc(OC(F)(F)F)cc2OCC(=O)N2CCOCC2)ccc1F,CFIULXBERKYNMC-UHFFFAOYSA-N
-rxn:4:183731:226844,O=C(c1cc(-c2ccc(OC(F)(F)F)cc2OCCN2CCC(F)(F)C2)ccn1)C(F)(F)F,NRRPSCXLXDYHTK-UHFFFAOYSA-N
-rxn:4:183732:223179,CONC(=O)c1cc(-c2cc(OC(F)(F)F)ccc2OCCN2CCC(F)(F)C2)ccc1F,VBRDTDYOPIVRHV-UHFFFAOYSA-N
-rxn:4:183749:223179,CONC(=O)c1cc(-c2ccc(OC(F)(F)F)cc2OCCN2CCOCC2)ccc1F,RIFIRJIWWPEOQX-UHFFFAOYSA-N
-rxn:4:183749:226844,O=C(c1cc(-c2ccc(OC(F)(F)F)cc2OCCN2CCOCC2)ccn1)C(F)(F)F,HLQLVQFPYYGZRO-UHFFFAOYSA-N
-rxn:4:183750:223179,CONC(=O)c1cc(-c2cc(OC(F)(F)F)ccc2OCCN2CCOCC2)ccc1F,NBQDZVQFAGCEFK-UHFFFAOYSA-N
-rxn:4:183762:224256,COC(=O)c1cc(OCCN2CCCC2)cc(-c2ccc(Cl)c(C(=O)N3CCCCC3C)c2)c1,IXWYIDAXJRDUED-UHFFFAOYSA-N
-rxn:4:183765:226844,COC(=O)CSC1CCN(S(=O)(=O)c2ccccc2-c2ccnc(C(=O)C(F)(F)F)c2)C1,PLHAQTHCFFYGAJ-UHFFFAOYSA-N
-rxn:4:183769:223179,CONC(=O)c1cc(-c2cc(OC(F)(F)F)ccc2OCC(=O)N2CCCCC2)ccc1F,VGQGVYFGGNNGCY-UHFFFAOYSA-N
-rxn:4:183769:223279,O=C(COc1ccc(OC(F)(F)F)cc1-c1cnc(C2CCCN2)nc1)N1CCCCC1,DEFIERQPPJTRSK-UHFFFAOYSA-N
-rxn:4:183769:226844,O=C(COc1ccc(OC(F)(F)F)cc1-c1ccnc(C(=O)C(F)(F)F)c1)N1CCCCC1,MHAFHDAMFXULMF-UHFFFAOYSA-N
-rxn:4:183770:223179,CONC(=O)c1cc(-c2ccc(OC(F)(F)F)cc2OCC(=O)N2CCCCC2)ccc1F,PZXXUCUPTPFRQP-UHFFFAOYSA-N
-rxn:4:183770:226844,O=C(COc1cc(OC(F)(F)F)ccc1-c1ccnc(C(=O)C(F)(F)F)c1)N1CCCCC1,MUBJAORVRISBPH-UHFFFAOYSA-N
-rxn:4:183772:223179,CONC(=O)c1cc(-c2ccc(OC(F)(F)F)cc2OCC(=O)N2CCCC(F)(F)C2)ccc1F,NCHRJEDXQDCAQX-UHFFFAOYSA-N
-rxn:4:183800:223179,CONC(=O)c1cc(-c2cc(CN(C)C(=O)OC(C)(C)C)cc(C(F)(F)F)c2)ccc1F,PNBCDLGJQZWEQR-UHFFFAOYSA-N
-rxn:4:183801:226844,Cc1cc(-c2ccnc(C(=O)C(F)(F)F)c2)cc(N(CC(F)(F)F)C(=O)OC(C)(C)C)c1,ALGVABJIDOBQDX-UHFFFAOYSA-N
-rxn:4:183802:223179,CONC(=O)c1cc(-c2ccc(C(F)(F)F)cc2CN(C)C(=O)OC(C)(C)C)ccc1F,GHKNESMUKRKMAZ-UHFFFAOYSA-N
-rxn:4:183802:226844,CN(Cc1cc(C(F)(F)F)ccc1-c1ccnc(C(=O)C(F)(F)F)c1)C(=O)OC(C)(C)C,KMQPGTJMKGUXKT-UHFFFAOYSA-N
-rxn:4:183803:226844,O=C(c1cc(-c2ccc(OC(F)(F)F)cc2OCCN2CCCCC2)ccn1)C(F)(F)F,XGNLXQGGLAJFJM-UHFFFAOYSA-N
-rxn:4:183804:223179,CONC(=O)c1cc(-c2cc(OC(F)(F)F)ccc2OCCN2CCCCC2)ccc1F,MKQSVWGUAXQAEG-UHFFFAOYSA-N
-rxn:4:183807:226844,CC(C)COc1cc(-c2ccnc(C(=O)C(F)(F)F)c2)ccc1C(=O)ON1C(=O)CCC1=O,VZZMPFPLKRNZEB-UHFFFAOYSA-N
-rxn:4:183825:222922,CC(C)(C)NS(=O)(=O)c1ccccc1-c1cc(Cl)cc(CN(C(=O)OC(C)(C)C)C2CC2)c1,RPMXYKGXRKKEKF-UHFFFAOYSA-N
-rxn:4:183828:224618,CC(C)(C)OC(=O)N(Cc1cc(F)cc(-c2ccnc(CO[Si](C)(C)C(C)(C)C)c2)c1)C1CC1,OYOVAFVJNPQYIN-UHFFFAOYSA-N
-rxn:4:183833:226844,C#Cc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1OC1CN(C(=O)OC(C)(C)C)C1,FYAKVKJOWLRCEB-UHFFFAOYSA-N
-rxn:4:183834:226844,CC(C)(C)OC(=O)N(C1CC1)S(=O)(=O)c1ccccc1-c1ccnc(C(=O)C(F)(F)F)c1,NBWOLXIXTQJNCD-UHFFFAOYSA-N
-rxn:4:183836:223179,CCN(C(=O)COc1ccc(-c2ccc(F)c(C(=O)NOC)c2)cc1)C1CCS(=O)(=O)C1,FNENFFIPRMTRBF-UHFFFAOYSA-N
-rxn:4:183839:223179,CONC(=O)c1cc(-c2ccc(OCC(=O)N3CCCCC3C(=O)OC)cc2)ccc1F,GNAUACAVFPGLPN-UHFFFAOYSA-N
-rxn:4:183839:226844,COC(=O)C1CCCCN1C(=O)COc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1,IVEMWHWGIDCDOW-UHFFFAOYSA-N
-rxn:4:183842:223179,CONC(=O)c1cc(-c2ccc(OC(F)(F)F)cc2OCCN2CCOC(C)C2)ccc1F,KNAFJOGREUAGLZ-UHFFFAOYSA-N
-rxn:4:183842:223279,CC1CN(CCOc2cc(OC(F)(F)F)ccc2-c2cnc(C3CCCN3)nc2)CCO1,KXBNZVOCCPTQQP-UHFFFAOYSA-N
-rxn:4:183842:226844,CC1CN(CCOc2cc(OC(F)(F)F)ccc2-c2ccnc(C(=O)C(F)(F)F)c2)CCO1,YFRLAVMRVABGFR-UHFFFAOYSA-N
-rxn:4:183874:226561,COc1cc(OC)c(-c2cc(F)ccc2CN(C(=O)OC(C)(C)C)C2COC2)cc1OC,FIGSSKIUTUNVPK-UHFFFAOYSA-N
-rxn:4:183875:226844,CC(C)(C)OC(=O)N1CC(COc2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2Cl)C1,IGJZGVSDELTSEA-UHFFFAOYSA-N
-rxn:4:183878:223179,CONC(=O)c1cc(-c2cc(Cl)cc(OCC3CN(C(=O)OC(C)(C)C)C3)c2)ccc1F,RUZKQLOMHMZNRY-UHFFFAOYSA-N
-rxn:4:183878:226844,CC(C)(C)OC(=O)N1CC(COc2cc(Cl)cc(-c3ccnc(C(=O)C(F)(F)F)c3)c2)C1,PMVVOPHDXYRIDR-UHFFFAOYSA-N
-rxn:4:183879:226844,CC(C)(C)OC(=O)N1CC(COc2cc(-c3ccnc(C(=O)C(F)(F)F)c3)ccc2Cl)C1,XKRLRZJREJOADG-UHFFFAOYSA-N
-rxn:4:183880:226844,CC(C)(C)OC(=O)N1CC(COc2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2F)C1,XGDBIHVDVBHVLU-UHFFFAOYSA-N
-rxn:4:183881:223179,CONC(=O)c1cc(-c2ccc(OCC3CN(C(=O)OC(C)(C)C)C3)cc2F)ccc1F,NGAOGIHUSDAUFE-UHFFFAOYSA-N
-rxn:4:183881:226844,CC(C)(C)OC(=O)N1CC(COc2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)c(F)c2)C1,YOCUINMQPLFLIY-UHFFFAOYSA-N
-rxn:4:183883:226844,O=C(c1cc(-c2ccc(OCCC3CCN(CC(F)(F)F)CC3)cc2)ccn1)C(F)(F)F,IMRMXXMMLZXEOK-UHFFFAOYSA-N
-rxn:4:183884:226844,CC(C)(C)OC(=O)N1CC(COc2c(F)cccc2-c2ccnc(C(=O)C(F)(F)F)c2)C1,QLBWFLXSECTUFP-UHFFFAOYSA-N
-rxn:4:183890:226844,CC(C)(C)OC(=O)N1CC(COc2c(F)cc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2F)C1,UJHNUYXAOANVBI-UHFFFAOYSA-N
-rxn:4:183892:223179,CONC(=O)c1cc(-c2cc(OCCN3CCC(F)(F)CC3)cc(C(=O)OC)c2)ccc1F,LXVXQGJPHMGSKY-UHFFFAOYSA-N
-rxn:4:183894:223179,CONC(=O)c1cc(-c2cccc(F)c2OCCCN2CCC(C(F)(F)F)CC2)ccc1F,FYUBQEZRNXYFBF-UHFFFAOYSA-N
-rxn:4:183894:223279,Fc1cccc(-c2cnc(C3CCCN3)nc2)c1OCCCN1CCC(C(F)(F)F)CC1,JCAGTOGQZFFYEX-UHFFFAOYSA-N
-rxn:4:183894:226844,O=C(c1cc(-c2cccc(F)c2OCCCN2CCC(C(F)(F)F)CC2)ccn1)C(F)(F)F,YESQVPXRZIWYKE-UHFFFAOYSA-N
-rxn:4:183907:223973,CCCCN(C(=O)c1ccccc1-c1ccc(N2CCCC(C)C2)cc1C(F)(F)F)C1CCS(=O)(=O)C1,HZQBYFVTFPZVDW-UHFFFAOYSA-N
-rxn:4:183912:226844,CC1CCN(CCOc2cc(OC(F)(F)F)ccc2-c2ccnc(C(=O)C(F)(F)F)c2)CC1,DCZOKVMSRSNIAJ-UHFFFAOYSA-N
-rxn:4:183913:223179,CONC(=O)c1cc(-c2cc(OC(F)(F)F)ccc2OCCN2CCCCC2C)ccc1F,SJIOBAXFYZOZQV-UHFFFAOYSA-N
-rxn:4:183913:226844,CC1CCCCN1CCOc1ccc(OC(F)(F)F)cc1-c1ccnc(C(=O)C(F)(F)F)c1,HRPYJZWYSFIYQB-UHFFFAOYSA-N
-rxn:4:183914:223179,CONC(=O)c1cc(-c2cc(OC(F)(F)F)ccc2OCCN2CCCC(C)C2)ccc1F,PDIOFLXNFBJFNO-UHFFFAOYSA-N
-rxn:4:183914:226844,CC1CCCN(CCOc2ccc(OC(F)(F)F)cc2-c2ccnc(C(=O)C(F)(F)F)c2)C1,GNGQEDSMZXJEGU-UHFFFAOYSA-N
-rxn:4:183915:223179,CONC(=O)c1cc(-c2cc(OC(F)(F)F)ccc2OCCN2CCC(C)CC2)ccc1F,JTMPTHSQUWEANA-UHFFFAOYSA-N
-rxn:4:183923:222892,COc1cc(N2CCNCC2)ccc1-c1ccc(OCC(=O)N(c2ccccc2)C2C=CS(=O)(=O)C2)cc1,XKVVHDUBYPBXRE-UHFFFAOYSA-N
-rxn:4:183937:226844,CC(C)(C)OC(=O)N(Cc1ccc(F)cc1-c1ccnc(C(=O)C(F)(F)F)c1)C1CCC1,BCODDPUFOYAEQC-UHFFFAOYSA-N
-rxn:4:183938:226844,Cc1cc(-c2ccnc(C(=O)C(F)(F)F)c2)cc(CN(C(=O)OC(C)(C)C)C2CC2)c1F,KMVQECWESSCGPF-UHFFFAOYSA-N
-rxn:4:183941:226844,CCCCN(C1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1,TYRTVLAYPNJCKC-UHFFFAOYSA-N
-rxn:4:183943:223179,CONC(=O)c1cc(-c2ccc(S(=O)(=O)CC3CN(C(=O)OC(C)(C)C)C3)cc2)ccc1F,MBEQCVQBFBTNDV-UHFFFAOYSA-N
-rxn:4:183943:223279,CC(C)(C)OC(=O)N1CC(CS(=O)(=O)c2ccc(-c3cnc(C4CCCN4)nc3)cc2)C1,CMMLTPYWBCXMBY-UHFFFAOYSA-N
-rxn:4:183944:226844,CC(C)(C)OC(=O)N1CC(CS(=O)(=O)c2cccc(-c3ccnc(C(=O)C(F)(F)F)c3)c2)C1,MRAIPSGPTMPYPE-UHFFFAOYSA-N
-rxn:4:183958:223179,CONC(=O)c1cc(-c2ccc(OCC3CCN(C(=O)OC(C)(C)C)C3)cc2)ccc1F,JVSLFAQXUDLFMV-UHFFFAOYSA-N
-rxn:4:183965:226844,COC(=O)c1cc(OCCN2CCCC(C)C2)cc(-c2ccnc(C(=O)C(F)(F)F)c2)c1,QMAWBVGBPXOEJV-UHFFFAOYSA-N
-rxn:4:183966:223279,CC(C)(C)OC(=O)N1CCC(COc2cc(Cl)cc(-c3cnc(C4CCCN4)nc3)c2)C1,QYYHAKJHMCWDTH-UHFFFAOYSA-N
-rxn:4:183966:226844,CC(C)(C)OC(=O)N1CCC(COc2cc(Cl)cc(-c3ccnc(C(=O)C(F)(F)F)c3)c2)C1,SZSYDVDXZWBICS-UHFFFAOYSA-N
-rxn:4:183967:223279,CC(C)(C)OC(=O)N1CCC(COc2cc(-c3cnc(C4CCCN4)nc3)ccc2Cl)C1,ADIVNJCPZCSKST-UHFFFAOYSA-N
-rxn:4:183970:226844,CCOC(=O)C1CCN(S(=O)(=O)c2cc(-c3ccnc(C(=O)C(F)(F)F)c3)ccc2OC)CC1,DOZYIKFNFANJSL-UHFFFAOYSA-N
-rxn:4:183980:223179,CCOc1cc(C=C2N=C(c3ccc(-c4ccc(F)c(C(=O)NOC)c4)cc3)OC2=O)ccc1OC(C)=O,DODDWKDRROQNDO-UHFFFAOYSA-N
-rxn:4:183980:226844,CCOc1cc(C=C2N=C(c3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3)OC2=O)ccc1OC(C)=O,ZZEXKOJBVDTUAO-UHFFFAOYSA-N
-rxn:4:183985:224328,CC1CCCCN1S(=O)(=O)c1cccc(-c2ccc(O[Si](C(C)C)(C(C)C)C(C)C)cc2C#N)c1,FLZMXBGELADLJV-UHFFFAOYSA-N
-rxn:4:183986:226844,Cc1cc(-c2ccnc(C(=O)C(F)(F)F)c2)cc(CN(C(=O)OC(C)(C)C)C(C)C)c1F,WWNAFPPCTPDBGA-UHFFFAOYSA-N
-rxn:4:183988:224459,COc1ccc(SCC2CCN(C(=O)c3ccc(-c4ccc(N5CCCC5)c(C(C)(C)C)c4)o3)CC2)cc1,MJAWDGXUYVTDBR-UHFFFAOYSA-N
-rxn:4:183995:226844,Cc1cc(CN(C(=O)OC(C)(C)C)C2CCC2)cc(-c2ccnc(C(=O)C(F)(F)F)c2)c1,NXIKZWHWUUJAOU-UHFFFAOYSA-N
-rxn:4:183998:226844,CC(C)(C)OC(=O)N(Cc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1F)C1CCCC1,UYJWWWDYXFWZRV-UHFFFAOYSA-N
-rxn:4:184004:223179,CONC(=O)c1cc(-c2ccc(C=C3SC(=S)N(CCc4ccc(OC)c(OC)c4)C3=O)cc2)ccc1F,OOYFBWWXGGHUMD-UHFFFAOYSA-N
-rxn:4:184011:226844,CCOc1cc(S(=O)(=O)N(CC)C2CCCCC2)ccc1-c1ccnc(C(=O)C(F)(F)F)c1,ACNVICIEPFNBMC-UHFFFAOYSA-N
-rxn:4:184013:223279,CC(C)(C)OC(=O)N1CCC(OCc2ccc(-c3cnc(C4CCCN4)nc3)cc2)CC1,BQPZOIQQNBPPSV-UHFFFAOYSA-N
-rxn:4:184013:226844,CC(C)(C)OC(=O)N1CCC(OCc2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2)CC1,IKCVSFZNFNHIPS-UHFFFAOYSA-N
-rxn:4:184014:223179,CONC(=O)c1cc(-c2cccc(OCC3CCN(C(=O)OC(C)(C)C)CC3)c2)ccc1F,QKGJGHQDSLSRHW-UHFFFAOYSA-N
-rxn:4:184015:223279,CC(C)(C)OC(=O)N1CCC(OCc2cccc(-c3cnc(C4CCCN4)nc3)c2)CC1,WUBFIQALJVJNAJ-UHFFFAOYSA-N
-rxn:4:184018:223279,CC(C)(C)OC(=O)N1CCC(COc2ccccc2-c2cnc(C3CCCN3)nc2)CC1,VFNCUYREMAIECF-UHFFFAOYSA-N
-rxn:4:184020:223179,CONC(=O)c1cc(-c2ccc(OC[C@@H]3CCCN3C(=O)OC(C)(C)C)c(C)c2)ccc1F,CLOODIIGNSIYLP-IBGZPJMESA-N
-rxn:4:184020:223279,Cc1cc(-c2cnc(C3CCCN3)nc2)ccc1OC[C@@H]1CCCN1C(=O)OC(C)(C)C,OEEUMMXZBQRZHC-BGERDNNASA-N
-rxn:4:184022:226844,CC(C)(C)OC(=O)N1CCC(COc2cc(Cl)ccc2-c2ccnc(C(=O)C(F)(F)F)c2)CC1,BEEYGUWCFXKSNX-UHFFFAOYSA-N
-rxn:4:184023:226844,CC(C)(C)OC(=O)N1CCC(COc2cc(Cl)cc(-c3ccnc(C(=O)C(F)(F)F)c3)c2)CC1,URIRZPLGLRFKOI-UHFFFAOYSA-N
-rxn:4:184027:223279,CC(C)(C)OC(=O)N1CCC(COc2ccc(-c3cnc(C4CCCN4)nc3)cc2F)CC1,SSBXVKNUPSJNEN-UHFFFAOYSA-N
-rxn:4:184028:223279,CC(C)(C)OC(=O)N1CCC(OCc2ccc(-c3cnc(C4CCCN4)nc3)cc2F)CC1,CMYWKGJAEOAIQC-UHFFFAOYSA-N
-rxn:4:184029:223279,CC(C)(C)OC(=O)N1CCC(COc2cccc(-c3cnc(C4CCCN4)nc3)c2F)CC1,VPMNMCQKFOAFKR-UHFFFAOYSA-N
-rxn:4:184030:226844,CC(C)(C)OC(=O)N1CCC(COc2cccc(F)c2-c2ccnc(C(=O)C(F)(F)F)c2)CC1,DNIMBOOMSDCYSK-UHFFFAOYSA-N
-rxn:4:184032:226844,CC(C)(C)OC(=O)N1CCCCC1COc1cc(F)cc(-c2ccnc(C(=O)C(F)(F)F)c2)c1,ZDJSXEALLFGXKS-UHFFFAOYSA-N
-rxn:4:184033:223179,CONC(=O)c1cc(-c2ccc(S(=O)(=O)OC3CCCN(C(=O)OC(C)(C)C)C3)cc2)ccc1F,WAEZPYMNIGNOAJ-UHFFFAOYSA-N
-rxn:4:184034:223572,CCOC(=O)C1CCN(S(=O)(=O)c2cc(-c3ccc(S(=O)(=O)N4CCC(C)CC4)c4ccccc34)c(C)cc2OC)CC1,FIFSCDYJCHRJFI-UHFFFAOYSA-N
-rxn:4:184054:223179,CONC(=O)c1cc(-c2ccc(CC(=O)N3CCC(S(=O)(=O)CC(C)C)CC3)cc2)ccc1F,NPRAKDURMMGKKF-UHFFFAOYSA-N
-rxn:4:184054:226844,CC(C)CS(=O)(=O)C1CCN(C(=O)Cc2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2)CC1,GGKUWTUPCZTSQX-UHFFFAOYSA-N
-rxn:4:184055:223279,COc1cc(-c2cnc(C3CCCN3)nc2)ccc1OC1CCN(C(=O)OC(C)(C)C)CC1,PJFFAWIYHCSTMO-UHFFFAOYSA-N
-rxn:4:184056:223279,COc1cc(OC2CCN(C(=O)OC(C)(C)C)CC2)ccc1-c1cnc(C2CCCN2)nc1,KMCXCPOANZMUGD-UHFFFAOYSA-N
-rxn:4:184061:226844,Cc1ccc(C(=O)C(C)OC(=O)C2CC(=O)N(c3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3)C2)cc1,VZSSNWVHECFVQT-UHFFFAOYSA-N
-rxn:4:184062:223279,Cc1cc(CN(C(=O)OC(C)(C)C)C2CCCC2)ccc1-c1cnc(C2CCCN2)nc1,AYTOHIHUGDXMPR-UHFFFAOYSA-N
-rxn:4:184062:227239,COC(=O)Cc1ccc(-c2ccc(CN(C(=O)OC(C)(C)C)C3CCCC3)cc2C)cc1,VEOSYRVWIBBTKS-UHFFFAOYSA-N
-rxn:4:184063:227255,COC(=O)Cc1cccc(-c2ccc(CN(C(=O)OC(C)(C)C)C3CCCC3)c(C)c2)c1,IMCYMZFONAPWFC-UHFFFAOYSA-N
-rxn:4:184064:223179,CONC(=O)c1cc(-c2cc(C)ccc2CN(C(=O)OC(C)(C)C)C2CCCC2)ccc1F,RSVHUMWWOYEDJO-UHFFFAOYSA-N
-rxn:4:184065:224753,Cc1ccc(S(=O)(=O)N2CCCC2)cc1-c1ccc(CN(C(=O)OC(C)(C)C)C2CCCCC2)cc1,YVJRDQOTGAQCDG-UHFFFAOYSA-N
-rxn:4:184072:223179,CONC(=O)c1cc(-c2ccc(S(=O)(=O)CC3CCCN(C(=O)OC(C)(C)C)C3)cc2)ccc1F,YUXZPEXRYJHAPN-UHFFFAOYSA-N
-rxn:4:184077:223836,COc1ncnc2c1cc(-c1ccccc1CCC(=O)N1CCC(Oc3cc(C)oc(=O)c3)CC1)n2C(=O)OC(C)(C)C,CNORGVBPLYZAOT-UHFFFAOYSA-N
-rxn:4:184085:223493,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1cccc(OCC2CCN(C(=O)OC(C)(C)C)CC2)c1C,XKTHQKFYMUARQF-UHFFFAOYSA-N
-rxn:4:184095:223279,CC(C)(C)[Si](C)(C)OC[C@H]1CCCN1S(=O)(=O)c1ccc(-c2cnc(C3CCCN3)nc2)cc1,QFIMPHJHIHQUHG-FKHAVUOCSA-N
-rxn:4:184096:223279,CC1(C)CCC(N(Cc2ccc(-c3cnc(C4CCCN4)nc3)cc2)C(=O)OC(C)(C)C)CC1,FYUWGJYUWFBOHE-UHFFFAOYSA-N
-rxn:4:184096:223286,CC1(C)CCC(N(Cc2ccc(-c3cccc(NS(C)(=O)=O)c3)cc2)C(=O)OC(C)(C)C)CC1,MLRUJCMAVOKNIJ-UHFFFAOYSA-N
-rxn:4:184097:223179,CONC(=O)c1cc(-c2ccc(C(=O)N(Cc3ccc(C(C)(C)C)cc3)C3CCS(=O)(=O)C3)cc2)ccc1F,RKHFTJMCISVJCJ-UHFFFAOYSA-N
-rxn:4:184098:223279,CC(C)(C)c1ccc(C(=O)N(Cc2cccc(-c3cnc(C4CCCN4)nc3)c2)C2CCS(=O)(=O)C2)cc1,SBGOUUMJAIOGLL-UHFFFAOYSA-N
-rxn:4:184099:225612,COc1cc(-n2cccc2)ccc1-c1ccc(C(C)N(C(=O)OC(C)(C)C)C2CCC(C)(C)CC2)cc1,GKFGJDSVGPWNQB-UHFFFAOYSA-N
-rxn:4:184099:226499,CC(c1ccc(-c2cccn2C(=O)OC(C)(C)C)cc1)N(C(=O)OC(C)(C)C)C1CCC(C)(C)CC1,DSVAURDUUUPAEW-UHFFFAOYSA-N
-rxn:4:184099:227024,CC(c1cccc(-c2ccc(C(C)N(C(=O)OC(C)(C)C)C3CCC(C)(C)CC3)cc2)c1)N(C)C,VHIRRGKFUDQVPT-UHFFFAOYSA-N
-rxn:4:184099:227065,CC(C)C(=O)c1cccc(-c2ccc(C(C)N(C(=O)OC(C)(C)C)C3CCC(C)(C)CC3)cc2)c1,IQFCPLZXIXRBMV-UHFFFAOYSA-N
-rxn:4:184103:224182,CCCCOC(=O)CN1C(=O)C(=O)c2cc(-c3ccc(OCCN4CCOCC4)c(C)c3)ccc21,XEIPUCZAEDDBRJ-UHFFFAOYSA-N
-rxn:4:184131:224848,CC[C@H]1CC[C@H](c2ccc(-c3ccc4cc(C(=O)OC)n(CC(=O)OC(C)(C)C)c4c3)cc2)CC1,JAKRXPAPUKLAIX-MEMLXQNLSA-N
-rxn:4:184182:226844,COc1ccc(CCC(=O)N2C3CCC2CC(SC)C3)cc1-c1ccnc(C(=O)C(F)(F)F)c1,YCNJANZJTKVGAQ-UHFFFAOYSA-N
-rxn:4:184183:223279,COc1ccc(-c2cnc(C3CCCN3)nc2)cc1CCC(=O)N1C2CCC1CC(SC)C2,RDXNPFQMNSBAJG-UHFFFAOYSA-N
-rxn:4:184208:223179,CONC(=O)c1cc(-c2ccc(CN(C(=O)OC(C)(C)C)C3CCCC3)c3ccccc23)ccc1F,LWODFFXKFOIVMF-UHFFFAOYSA-N
-rxn:4:184215:223179,CONC(=O)c1cc(-c2ccc(CN(C(=O)OC(C)(C)C)C3CCOCC3)c3ccccc23)ccc1F,AVFIIVHSHOECOE-UHFFFAOYSA-N
-rxn:4:184215:223279,CC(C)(C)OC(=O)N(Cc1ccc(-c2cnc(C3CCCN3)nc2)c2ccccc12)C1CCOCC1,NFKCOINNXZSYGW-UHFFFAOYSA-N
-rxn:4:184217:226844,COc1cccc(CN(C(=O)c2oc3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3c2C)C2CCS(=O)(=O)C2)c1,LAJCNMFFKVARIH-UHFFFAOYSA-N
-rxn:4:184218:226844,COc1cccc(CN(C(=O)c2oc3cc(-c4ccnc(C(=O)C(F)(F)F)c4)ccc3c2C)C2CCS(=O)(=O)C2)c1,URTBKTJFRNCZST-UHFFFAOYSA-N
-rxn:4:184225:223279,CC(=O)c1c(C)oc2ccc(N(C(=O)C3CCCCC3)S(=O)(=O)c3ccc(-c4cnc(C5CCCN5)nc4)cc3)cc12,KIZXBLWQCKBUJL-UHFFFAOYSA-N
-rxn:4:184227:223179,CONC(=O)c1cc(-c2ccc(C(=O)COC(=O)CN3C(=O)C4C5C=CC(C5)C4C3=O)cc2)ccc1F,LHCZJQCFOOHRQS-UHFFFAOYSA-N
-rxn:4:184232:223279,O=C(COC(=O)c1ccc(N2C(=O)C3C4C=CC(C4)C3C2=O)cc1)c1ccc(-c2cnc(C3CCCN3)nc2)cc1,GONARDCIWJCRGB-UHFFFAOYSA-N
-rxn:4:184232:226844,O=C(COC(=O)c1ccc(N2C(=O)C3C4C=CC(C4)C3C2=O)cc1)c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1,VWWVPPPRTDRULY-UHFFFAOYSA-N
-rxn:4:184273:224963,N#Cc1ccc(OC(C(F)(F)F)C(F)(F)F)cc1-c1cccc(COC2CCOCC2)c1,AVVDDXHMYRUOPX-UHFFFAOYSA-N
-rxn:4:184352:223697,CCOC(=O)Cc1cc(F)c(C#N)cc1-c1ccc(S(=O)(=O)N2CCCCC2)cc1C(F)(F)F,DWWAOFJRHBWORL-UHFFFAOYSA-N
-rxn:4:184455:222748,COC(=O)Cc1cc(C#N)cc(-c2cccc(C(=O)NCC3CCCO3)c2)c1C(F)(F)F,CJNDYGYTLSYADQ-UHFFFAOYSA-N
-rxn:4:184477:224682,CCOC(=O)c1cc(C#N)c(C(F)(F)F)cc1-c1ccc(C(=O)N2CCCCC2)c(Cl)c1,IPMZBLOSMPHQQY-UHFFFAOYSA-N
-rxn:4:184526:223823,COC(=O)Cc1c(OC)cc(C#N)cc1-c1cnn(C2CCN(C(=O)OC(C)(C)C)CC2)c1,NGIFRUVAPXQNKC-UHFFFAOYSA-N
-rxn:4:184684:224406,CN(C)C(=O)c1ccc(-c2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)c(OCC(F)F)c1,DETAKMVVZAZQCL-UHFFFAOYSA-N
-rxn:4:184684:224485,CC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2ccc(C(=O)N(C)C)cc2OCC(F)F)c1,UVTVSHKZTNRWLR-UHFFFAOYSA-N
-rxn:4:184687:223832,COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1-c1cc(OCC(F)(F)F)cc(C(=O)N(C)C)c1,LMIMKHRRCTVPJB-UHFFFAOYSA-N
-rxn:4:184723:222584,CN(C)CCOc1ccc(-c2ccc(OCCCN3CCNCC3)c(F)c2)c(C(F)(F)F)c1,ZVBLRLJBRKFKMR-UHFFFAOYSA-N
-rxn:4:184748:226844,O=C(c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1OCC(F)(F)F)N1CCC1(F)F,XNDHAGPMPWUPAR-UHFFFAOYSA-N
-rxn:4:184753:223843,CCCN(C)C(=O)Cc1ccccc1-c1ccc(S(=O)(=O)N(CC)CC)cc1C(F)(F)F,SGDPUPCSRBSKIQ-UHFFFAOYSA-N
-rxn:4:184887:224848,CC[C@H]1CC[C@H](c2ccc(-c3ccc(OCC(F)(F)F)c(C(=O)N4CCCC4)c3)cc2)CC1,WZSZGFVBRRVORX-MXVIHJGJSA-N
-rxn:4:184894:223179,CCOC(=O)CN1C(=O)C(=Cc2cccc(-c3ccc(F)c(C(=O)NOC)c3)c2)SC1=S,IOKYOXOBFWJCGA-UHFFFAOYSA-N
-rxn:4:184894:226844,CCOC(=O)CN1C(=O)C(=Cc2cccc(-c3ccnc(C(=O)C(F)(F)F)c3)c2)SC1=S,PRSSPFDXIJERLL-UHFFFAOYSA-N
-rxn:4:184910:224485,CC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2ccc(OCC3CN(C(=O)C4CC4)C3)cc2)c1,TXUOBZAIZNTOOZ-UHFFFAOYSA-N
-rxn:4:184930:226844,O=C(COc1ccc(C(F)(F)F)cc1-c1ccnc(C(=O)C(F)(F)F)c1)N1CCOCC1,RFLGECRQZRMFLE-UHFFFAOYSA-N
-rxn:4:185003:223179,CONC(=O)c1cc(-c2ccc(OCC(=O)N3CCC(C(F)(F)F)CC3)cc2)ccc1F,KUORXFISWCTIIU-UHFFFAOYSA-N
-rxn:4:185004:223179,CONC(=O)c1cc(-c2cc(C(F)(F)F)ccc2OCC(=O)N2CCCCC2)ccc1F,FOFFAPUCWXUMMQ-UHFFFAOYSA-N
-rxn:4:185004:224501,CN1CCCCC1COc1ccc(-c2cc(C(F)(F)F)ccc2OCC(=O)N2CCCCC2)cc1,DAQNVJZPVGIACO-UHFFFAOYSA-N
-rxn:4:185004:225044,C[Si](C)(C)c1cc(-c2cc(C(F)(F)F)ccc2OCC(=O)N2CCCCC2)cc([Si](C)(C)C)c1,RGAISZBAZIEUBG-UHFFFAOYSA-N
-rxn:4:185004:226844,O=C(COc1ccc(C(F)(F)F)cc1-c1ccnc(C(=O)C(F)(F)F)c1)N1CCCCC1,NDHMBQPXEGVLFN-UHFFFAOYSA-N
-rxn:4:185024:222802,COc1ccc(OCC(=O)N2CCCCC2)c(-c2ccc(C)cc2S(=O)(=O)NC(C)(C)C)c1,UULBUSIWRSAAIV-UHFFFAOYSA-N
-rxn:4:185030:224488,CC(C)N(C(=O)c1ccc(-c2ccc(OCCCN3CCC(F)(F)CC3)cc2)cc1)C(C)C,LOTPOPSRAQYDDC-UHFFFAOYSA-N
-rxn:4:185058:223179,CONC(=O)c1cc(-c2cc(F)c(F)cc2OC2CN(C(=O)OC(C)(C)C)C2)ccc1F,JCFZHBGHCVBZFP-UHFFFAOYSA-N
-rxn:4:185061:223279,Fc1cc(Cl)cc(-c2cnc(C3CCCN3)nc2)c1OCCN1CCCC(C(F)(F)F)C1,DHMBFLUYABPXFJ-UHFFFAOYSA-N
-rxn:4:185061:226844,O=C(c1cc(-c2cc(Cl)cc(F)c2OCCN2CCCC(C(F)(F)F)C2)ccn1)C(F)(F)F,NJABMUWYHSMJIQ-UHFFFAOYSA-N
-rxn:4:185067:223179,CONC(=O)c1cc(-c2cccc(CN3CCC(F)(F)CC3)c2OCC(F)(F)F)ccc1F,HXKBOVVPFNUQTB-UHFFFAOYSA-N
-rxn:4:185099:222676,CCOC(=O)C1CCN(C(=O)c2ccc(-c3cc(F)ccc3CNC(=O)OC(C)(C)C)cc2)CC1,VXIZOWLFMDAUSV-UHFFFAOYSA-N
-rxn:4:185100:223668,CCCOc1cc(S(=O)(=O)N2CCOCC2)ccc1-c1ccc(OCc2ccccc2)cc1OC(F)(F)F,CNZZVPUUTCMLLK-UHFFFAOYSA-N
-rxn:4:185110:226844,COC1CCN(Cc2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2OC(F)(F)F)CC1,DWALYWLTKNWEIK-UHFFFAOYSA-N
-rxn:4:185114:223179,CONC(=O)c1cc(-c2ccc(S(=O)(=O)CC(=O)N3CCC(C(F)(F)F)CC3)cc2)ccc1F,NFPZGVXDFIUXAX-UHFFFAOYSA-N
-rxn:4:185115:223179,CONC(=O)c1cc(-c2ccccc2S(=O)(=O)CC(=O)N2CCCC(C(F)(F)F)C2)ccc1F,SFINBGCBFRZHPU-UHFFFAOYSA-N
-rxn:4:185115:226844,O=C(CS(=O)(=O)c1ccccc1-c1ccnc(C(=O)C(F)(F)F)c1)N1CCCC(C(F)(F)F)C1,RPCXLFNOMRFRRK-UHFFFAOYSA-N
-rxn:4:185116:223179,CONC(=O)c1cc(-c2ccccc2S(=O)(=O)CC(=O)N2CCC(C(F)(F)F)CC2)ccc1F,VONTUVAQIPVOOM-UHFFFAOYSA-N
-rxn:4:185117:223179,CONC(=O)c1cc(-c2cccc(S(=O)(=O)CC(=O)N3CCCC(C(F)(F)F)C3)c2)ccc1F,ALNPIUSEDDFNLN-UHFFFAOYSA-N
-rxn:4:185122:222915,COCCN1C(=O)C(=Cc2ccc(-c3ccc(-c4ccc(C(=O)NC5=NCCS5)cc4)cc3)o2)SC1=S,GQZICHLGRCFJOX-UHFFFAOYSA-N
-rxn:4:185129:224790,CCCOc1cc(-c2ccccc2C(=O)OC(C)CN2CCCCC2)ccc1OC(F)(F)F,JIVVNSPFSGWNKB-UHFFFAOYSA-N
-rxn:4:185138:225223,COC(=O)C1CCN(CCc2cc(-c3cnc(N4CCC(C)CC4)cc3F)ccc2F)CC1,CSJWKIGCXPXYCD-UHFFFAOYSA-N
-rxn:4:185143:226844,CC(C)CC(=O)N(c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1)C1C=CS(=O)(=O)C1,YXKDPPFGXLUJBW-UHFFFAOYSA-N
-rxn:4:185145:223179,CCOC(=O)C1CCCN(S(=O)(=O)c2ccc(-c3ccc(F)c(C(=O)NOC)c3)cc2)C1,DMESNPZQAYNSPL-UHFFFAOYSA-N
-rxn:4:185145:226844,CCOC(=O)C1CCCN(S(=O)(=O)c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2)C1,ZKAFAPYMFISMSH-UHFFFAOYSA-N
-rxn:4:185149:223179,CONC(=O)c1cc(-c2cccc(S(=O)(=O)C3CN(C(=O)OC(C)(C)C)C3)c2)ccc1F,HIFVMUUBPSYGRM-UHFFFAOYSA-N
-rxn:4:185149:226844,CC(C)(C)OC(=O)N1CC(S(=O)(=O)c2cccc(-c3ccnc(C(=O)C(F)(F)F)c3)c2)C1,DJZJYXVZBMRSPG-UHFFFAOYSA-N
-rxn:4:185154:226515,CCc1ncc(C(=O)OC)cc1-c1ccc(C(=O)OC)c(CN2CCCC(C(F)(F)F)C2)c1,XRHYPVISCQVWKG-UHFFFAOYSA-N
-rxn:4:185154:226844,COC(=O)c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1CN1CCCC(C(F)(F)F)C1,ASADULQIFFZDJW-UHFFFAOYSA-N
-rxn:4:185156:223179,CONC(=O)c1cc(-c2ccc(CN3CCC(C(F)(F)F)CC3)c(C(=O)OC)c2)ccc1F,WCYMVENEWXGBST-UHFFFAOYSA-N
-rxn:4:185157:223179,CONC(=O)c1cc(-c2ccc(CN3CCCC(C(F)(F)F)C3)c(C(=O)OC)c2)ccc1F,RQNLPBGFQAALJA-UHFFFAOYSA-N
-rxn:4:185159:223179,CONC(=O)c1cc(-c2cc(CN3CCCC(C(F)(F)F)C3)cc(C(=O)OC)c2)ccc1F,RPSIRRVQJFRNFC-UHFFFAOYSA-N
-rxn:4:185159:226844,COC(=O)c1cc(CN2CCCC(C(F)(F)F)C2)cc(-c2ccnc(C(=O)C(F)(F)F)c2)c1,RUQDGXVYMJAHKY-UHFFFAOYSA-N
-rxn:4:185161:226844,CC(C)(C)OC(=O)N1CC(c2ccc(C(F)(F)F)cc2-c2ccnc(C(=O)C(F)(F)F)c2)C1,USEXTPIQMMQWBL-UHFFFAOYSA-N
-rxn:4:185162:223179,CONC(=O)c1cc(-c2ccc(C(F)(F)F)cc2C2CN(C(=O)OC(C)(C)C)C2)ccc1F,GCPAGWIDZPXBRN-UHFFFAOYSA-N
-rxn:4:185162:224885,CC1CCN(Cc2ccccc2-c2ccc(C(F)(F)F)cc2C2CN(C(=O)OC(C)(C)C)C2)CC1,ZHHHUUFOTLIMKM-UHFFFAOYSA-N
-rxn:4:185163:222439,CC(C)(C)OC(=O)N1CC(c2cc(-c3ccc(S(=O)(=O)NC4CCCCC4)cc3C(F)(F)F)cc(C(F)(F)F)c2)C1,HJWVLDHKPWWMQN-UHFFFAOYSA-N
-rxn:4:185163:223179,CONC(=O)c1cc(-c2cc(C3CN(C(=O)OC(C)(C)C)C3)cc(C(F)(F)F)c2)ccc1F,IOBRIGNXULCKDV-UHFFFAOYSA-N
-rxn:4:185164:226844,CC(C)(C)OC(=O)N1CC(c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)c(C(F)(F)F)c2)C1,SUSQSRDRSDIWSQ-UHFFFAOYSA-N
-rxn:4:185165:223179,CONC(=O)c1cc(-c2ccc(C(F)(F)F)c(C3CN(C(=O)OC(C)(C)C)C3)c2)ccc1F,SOBJQOZKOFNCPK-UHFFFAOYSA-N
-rxn:4:185165:226844,CC(C)(C)OC(=O)N1CC(c2cc(-c3ccnc(C(=O)C(F)(F)F)c3)ccc2C(F)(F)F)C1,IJYUNQGETWBWTR-UHFFFAOYSA-N
-rxn:4:185166:226844,CC(C)(C)OC(=O)N1CC(c2ccc(C(F)(F)F)c(-c3ccnc(C(=O)C(F)(F)F)c3)c2)C1,FIKUCYFUGRMRMW-UHFFFAOYSA-N
-rxn:4:185207:226844,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2Cl)C1,MVPCEJZRBBZHKX-UHFFFAOYSA-N
-rxn:4:185208:223179,CONC(=O)c1cc(-c2ccc(OC3CCN(C(=O)OC(C)(C)C)C3)c(F)c2)ccc1F,KHKYARJOVSOTPY-UHFFFAOYSA-N
-rxn:4:185212:223179,CONC(=O)c1cc(-c2ccc(CC3COS(=O)(=O)N3C(=O)OC(C)(C)C)cc2)ccc1F,LYSBATUVMMUGMV-UHFFFAOYSA-N
-rxn:4:185212:226844,CC(C)(C)OC(=O)N1C(Cc2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2)COS1(=O)=O,PUGAPKKHIXKDDI-UHFFFAOYSA-N
-rxn:4:185225:226844,COc1cc(-c2ccnc(C(=O)C(F)(F)F)c2)cc(OC)c1C(=O)N1CCCC(C(F)(F)F)C1,OODVFFHDLCMVLD-UHFFFAOYSA-N
-rxn:4:185236:223179,CONC(=O)c1cc(-c2ccc(C3=NC(=Cc4cc(Cl)c(OC(C)=O)c(OC)c4)C(=O)O3)cc2)ccc1F,MCPSONPUBFYYLG-UHFFFAOYSA-N
-rxn:4:185241:224849,c1cc(CN2CCCCC2)c(OCC2CC2)c(-c2cc(C3CCCC3)cc(C3CC3)c2)c1,YMNXCYGXEPJGKX-UHFFFAOYSA-N
-rxn:4:185245:223179,CONC(=O)c1cc(-c2ccc(C(=O)N3CCC(S(=O)(=O)CC(C)C)CC3)o2)ccc1F,JNRREKHZQMUZAR-UHFFFAOYSA-N
-rxn:4:185245:226844,CC(C)CS(=O)(=O)C1CCN(C(=O)c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)o2)CC1,OYTBJIMNSUWCJX-UHFFFAOYSA-N
-rxn:4:185266:223179,CONC(=O)c1cc(-c2ccc(S(=O)(=O)N(CC(C)C)C3CCS(=O)(=O)C3)cc2)ccc1F,BXMAUUGAKUMDGU-UHFFFAOYSA-N
-rxn:4:185266:226844,CC(C)CN(C1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1,NLHNSZVLILEHRL-UHFFFAOYSA-N
-rxn:4:185268:226844,CC(C)(C)OC(=O)N1CCC(S(=O)(=O)c2cccc(-c3ccnc(C(=O)C(F)(F)F)c3)c2)C1,IEDAQTWEGGJJES-UHFFFAOYSA-N
-rxn:4:185269:223179,CONC(=O)c1cc(-c2ccc(C3(C(F)(F)F)CCN(C(=O)OC(C)(C)C)C3)cc2)ccc1F,BFXZZIIIAQLFHJ-UHFFFAOYSA-N
-rxn:4:185269:223279,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3cnc(C4CCCN4)nc3)cc2)(C(F)(F)F)C1,KMOHAOGTIILCQE-UHFFFAOYSA-N
-rxn:4:185278:222694,O=C(c1cccc(-c2cccc(S(=O)(=O)NC3CCCCC3)c2)c1)N1CCC(S(=O)(=O)Cc2ccco2)CC1,FOATUUFTTLSXQX-UHFFFAOYSA-N
-rxn:4:185306:223179,CCOc1cc(S(=O)(=O)N(C)C2CCCCC2)ccc1-c1ccc(F)c(C(=O)NOC)c1,CJLLWKGRJWVWEN-UHFFFAOYSA-N
-rxn:4:185308:223179,CONC(=O)c1cc(-c2ccc(OC3CCN(C(=O)OC(C)(C)C)CC3)cc2)ccc1F,QTCPKMIZWMGJFP-UHFFFAOYSA-N
-rxn:4:185308:223525,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3cccc(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c3)cc2)CC1,GYUBSZHMYMXWSI-UHFFFAOYSA-N
-rxn:4:185310:223179,CONC(=O)c1cc(-c2ccc(SC3CCN(C(=O)OC(C)(C)C)CC3)cc2)ccc1F,IFNPNSRQHCZYDL-UHFFFAOYSA-N
-rxn:4:185310:226844,CC(C)(C)OC(=O)N1CCC(Sc2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2)CC1,GIPRZPUWOBMWSN-UHFFFAOYSA-N
-rxn:4:185313:226844,CC(C)(C)OC(=O)N1CCC(Oc2ccccc2-c2ccnc(C(=O)C(F)(F)F)c2)CC1,RLEZCTCGBXEAIF-UHFFFAOYSA-N
-rxn:4:185314:226844,CC(C)(C)OC(=O)N1CCCC(Oc2cccc(-c3ccnc(C(=O)C(F)(F)F)c3)c2)C1,GGRIZIKDEXUOIM-UHFFFAOYSA-N
-rxn:4:185315:226844,CC(C)(C)OC(=O)N1CC(c2cc(-c3ccnc(C(=O)C(F)(F)F)c3)ccc2C2CC2)C1,YZBYSLQILHCYLU-UHFFFAOYSA-N
-rxn:4:185317:224275,CC(C)(C)OC(=O)N1CC(c2ccc(C3CC3)c(-c3nn(C(=O)OC(C)(C)C)c4ccccc34)c2)C1,VNYGWWJAZQBFGX-UHFFFAOYSA-N
-rxn:4:185318:226844,CC(C)(C)OC(=O)N1CC(c2cc(-c3ccnc(C(=O)C(F)(F)F)c3)cc(C3CC3)c2)C1,LBGCKCSMRHDXKB-UHFFFAOYSA-N
-rxn:4:185320:223279,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3cnc(C4CCCN4)nc3)cc2Cl)CC1,DHLIBYPYGHCKHN-UHFFFAOYSA-N
-rxn:4:185320:226844,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2Cl)CC1,MHZJYNGBMLZIDF-UHFFFAOYSA-N
-rxn:4:185321:223279,CC(C)(C)OC(=O)N1CCC(Oc2ccc(Cl)c(-c3cnc(C4CCCN4)nc3)c2)CC1,LURMAVUQXMYPNN-UHFFFAOYSA-N
-rxn:4:185324:226844,CC(C)(C)OC(=O)N1CCC(Oc2cc(F)cc(-c3ccnc(C(=O)C(F)(F)F)c3)c2)CC1,UFCLGXIYFVAWQD-UHFFFAOYSA-N
-rxn:4:185338:222619,COc1ccc(-c2ccc(CNC(=O)C3CCCCC3)cc2)c(C(=O)N2CCC(Oc3cc(C)oc(=O)c3)C2)c1,IKIJMEZRIGZRER-UHFFFAOYSA-N
-rxn:4:185347:222437,CCC1CCCCN1S(=O)(=O)c1cc(OC)c(-c2ccc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc2)cc1OC,ZKRMMPFTSZSDES-UHFFFAOYSA-N
-rxn:4:185347:223023,CCC1CCCCN1S(=O)(=O)c1cc(OC)c(-c2ccc(CNC(=O)N(C)C)cc2)cc1OC,NPQFWOAYUAMXSC-UHFFFAOYSA-N
-rxn:4:185347:226844,CCC1CCCCN1S(=O)(=O)c1cc(OC)c(-c2ccnc(C(=O)C(F)(F)F)c2)cc1OC,LVKFRUJWJPJYPV-UHFFFAOYSA-N
-rxn:4:185350:223279,CC(C)CS(=O)(=O)C1CCN(C(=O)c2cccc(-c3cnc(C4CCCN4)nc3)c2)CC1,CLJONXOSILVESF-UHFFFAOYSA-N
-rxn:4:185350:226844,CC(C)CS(=O)(=O)C1CCN(C(=O)c2cccc(-c3ccnc(C(=O)C(F)(F)F)c3)c2)CC1,IIDXUWBCFGPHAS-UHFFFAOYSA-N
-rxn:4:185353:223179,CONC(=O)c1cc(-c2ccc(CC(=O)N3CCC(S(=O)(=O)C(C)(C)C)C3)cc2)ccc1F,PCLPXPQARXNARH-UHFFFAOYSA-N
-rxn:4:185353:227102,CC(C)(C)c1ccc(F)c(-c2ccc(CC(=O)N3CCC(S(=O)(=O)C(C)(C)C)C3)cc2)c1,PUDOHFIGKLUMCU-UHFFFAOYSA-N
-rxn:4:185354:223279,CC(C)(C)OC(=O)N1CCC(C(=O)c2ccccc2-c2cnc(C3CCCN3)nc2)CC1,ICFIJLWDOZMIET-UHFFFAOYSA-N
-rxn:4:185356:226844,CC(C)(C)OC(=O)N1CCC(C(=O)c2cc(-c3ccnc(C(=O)C(F)(F)F)c3)ccc2F)CC1,ACXNPRGOFJLGEV-UHFFFAOYSA-N
-rxn:4:185357:223279,CC(C)(C)OC(=O)N1CCC(C(=O)c2ccc(-c3cnc(C4CCCN4)nc3)cc2F)CC1,PDOJLHZWRSKKKR-UHFFFAOYSA-N
-rxn:4:185357:224770,Cc1cc(-c2ccc(C(=O)C3CCN(C(=O)OC(C)(C)C)CC3)c(F)c2)cc(S(=O)(=O)N2CCCC2)c1,VWWHUOIORICWJT-UHFFFAOYSA-N
-rxn:4:185359:224657,CC1CN(C(=O)c2ccc(COc3ccccc3-c3cccc(O[Si](C)(C)C(C)(C)C)c3F)o2)CC(C)O1,JUKWIYFAOSYTOC-UHFFFAOYSA-N
-rxn:4:185367:222912,CC(C)CNS(=O)(=O)c1ccc(-c2cc(C(C)C)ccc2OCC(=O)N2CCC(C)CC2)cc1,SZIAMJLULKDEFG-UHFFFAOYSA-N
-rxn:4:185367:226844,CC1CCN(C(=O)COc2ccc(C(C)C)cc2-c2ccnc(C(=O)C(F)(F)F)c2)CC1,AUVIGKDNKYGRAE-UHFFFAOYSA-N
-rxn:4:185368:226844,CC(C)(C)c1cc(-c2ccnc(C(=O)C(F)(F)F)c2)ccc1OCC(=O)N1CCCCC1,FSJGFBLUTZCBEJ-UHFFFAOYSA-N
-rxn:4:185370:223179,CONC(=O)c1cc(-c2ccc(C(=O)OC(C)CN3C(C)CCCC3C)cc2)ccc1F,WTNSQIGWXHFWAZ-UHFFFAOYSA-N
-rxn:4:185370:225737,CCCCOc1c(F)ccc(-c2ccc(C(=O)OC(C)CN3C(C)CCCC3C)cc2)c1F,OZAJMWXYVYSWNH-UHFFFAOYSA-N
-rxn:4:185371:223179,CONC(=O)c1cc(-c2ccc(CC3CCN(C(=O)OC(C)(C)C)CC3)cc2)ccc1F,LVHRYBSRXYCKCD-UHFFFAOYSA-N
-rxn:4:185373:226844,CCOC(=O)C1CCN(S(=O)(=O)c2cc(-c3ccnc(C(=O)C(F)(F)F)c3)c(C)cc2C)CC1,BFLNFKORALZMFN-UHFFFAOYSA-N
-rxn:4:185375:222856,COc1ccc(C2CCNCC2)cc1-c1ccccc1S(=O)(=O)N1CCC(S(=O)(=O)CC(C)C)CC1,LFJLEIHIGBRJPC-UHFFFAOYSA-N
-rxn:4:185376:224842,CC(C)CS(=O)(=O)C1CCCN(S(=O)(=O)c2ccccc2-c2ccc3c(c2)C(C)(C)CCC3(C)C)C1,XDBHLXHEFMRIOZ-UHFFFAOYSA-N
-rxn:4:185377:223179,CONC(=O)c1cc(-c2ccc(S(=O)(=O)C3CCN(C(=O)OC(C)(C)C)CC3)cc2)ccc1F,ZDWCIRJCLRJDFD-UHFFFAOYSA-N
-rxn:4:185379:223279,CC(C)(C)OC(=O)N1CCC(C(F)(F)c2cccc(-c3cnc(C4CCCN4)nc3)c2)CC1,USCGOYZPCZKCRW-UHFFFAOYSA-N
-rxn:4:185382:226844,CC(C)(C)OC(=O)N1CCC(c2cc(-c3ccnc(C(=O)C(F)(F)F)c3)ccc2C(F)(F)F)CC1,LMJVTOINVPEKHY-UHFFFAOYSA-N
-rxn:4:185384:223638,CC(C)(C)OC(=O)N1CCCC(c2cccc(-c3ccc(C(F)(F)F)cc3C3CCCN(C(=O)OC(C)(C)C)C3)c2)C1,FYNDMTAWTPJEOT-UHFFFAOYSA-N
-rxn:4:185385:226844,CC(C)(C)OC(=O)N1CCC(c2ccc(C(F)(F)F)c(-c3ccnc(C(=O)C(F)(F)F)c3)c2)CC1,PMFOYSQMYFVPOP-UHFFFAOYSA-N
-rxn:4:185398:226844,COC(=O)C1=C(C)N(c2cccc(OC)c2)C(=O)C1=Cc1cccc(-c2ccnc(C(=O)C(F)(F)F)c2)c1,ZNFUQLCIBPLEPR-UHFFFAOYSA-N
-rxn:4:185403:226844,COc1cc(-c2ccnc(C(=O)C(F)(F)F)c2)cc(C2CCCN(C(=O)OC(C)(C)C)C2)c1,OOBRYMFODALISC-UHFFFAOYSA-N
-rxn:4:185405:227052,CC(C)(C)OC(=O)N1CCC(c2ccc(C3CC3)cc2-c2ccc(SC(C)(C)C)cc2)C1,KBAIRBPNOLBEBR-UHFFFAOYSA-N
-rxn:4:185407:227052,COc1ccc(C2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccc(SC(C)(C)C)cc1,YBOURKPHNQKFKE-UHFFFAOYSA-N
-rxn:4:185408:223279,CC(C)(C)OC(=O)N1CCC(c2cc(-c3cnc(C4CCCN4)nc3)ccc2C2CC2)C1,VDTZTAVKGKIDHZ-UHFFFAOYSA-N
-rxn:4:185409:223279,CC(C)(C)OC(=O)N1CCC(c2cc(-c3cnc(C4CCCN4)nc3)cc(C3CC3)c2)C1,UEBYCKVCSGMWQM-UHFFFAOYSA-N
-rxn:4:185412:224964,CC(C)(C)OC(=O)N1CCC(c2ccc(C3CC3)c(-c3ccc(COC4CCOCC4)cc3)c2)C1,MYQUXNLZAQXGQL-UHFFFAOYSA-N
-rxn:4:185414:226844,Cc1cc(Cl)cc(-c2ccnc(C(=O)C(F)(F)F)c2)c1OC1CCN(C(=O)OC(C)(C)C)CC1,WSQAPCWTYLBCTA-UHFFFAOYSA-N
-rxn:4:185415:222817,COc1ccc(S(=O)(=O)NC2CC2)cc1-c1ccc(N(C(=O)CC2CCCCC2)C2C=CS(=O)(=O)C2)cc1,UDDPKGBPQCVZAU-UHFFFAOYSA-N
-rxn:4:185415:226844,O=C(CC1CCCCC1)N(c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1)C1C=CS(=O)(=O)C1,UEXWHXUYUJAQCA-UHFFFAOYSA-N
-rxn:4:185419:226844,CC(C)(C)OC(=O)N1CCOC(c2ccc(C3CC3)c(-c3ccnc(C(=O)C(F)(F)F)c3)c2)C1,XQEKQBAEWFCOTK-UHFFFAOYSA-N
-rxn:4:185421:223279,CC(C)(C)OC(=O)N1CCOC(c2ccc(-c3cnc(C4CCCN4)nc3)c(C3CC3)c2)C1,UVHUMMOLPIBRMR-UHFFFAOYSA-N
-rxn:4:185422:224069,CC(C)(C)OC(=O)N1CCOC(c2ccc(-c3cc(-c4ccccn4)cc(C(C)(C)C)c3)cc2C2CC2)C1,GAOSBYMWKDKZGK-UHFFFAOYSA-N
-rxn:4:185432:223279,Cc1cc(OC2CCN(C(=O)OC(C)(C)C)CC2)cc(C)c1-c1cnc(C2CCCN2)nc1,MPRJVSGXJCJZRN-UHFFFAOYSA-N
-rxn:4:185433:223279,CC(C)(C)OC(=O)N1CCC(c2cc(-c3cnc(C4CCCN4)nc3)cc(C3CC3)c2)CC1,QWLIJEWSTJUMGH-UHFFFAOYSA-N
-rxn:4:185434:223279,COc1cc(-c2cnc(C3CCCN3)nc2)cc(C2CCN(C(=O)OC(C)(C)C)CC2C)c1,YZLDQLXTPFEIAB-UHFFFAOYSA-N
-rxn:4:185438:223279,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3cnc(C4CCCN4)nc3)cc2)CC1,WZZJBLXDPJFYBF-UHFFFAOYSA-N
-rxn:4:185439:223279,CC1CN(C(=O)OC(C)(C)C)CCC1c1cc(-c2cnc(C3CCCN3)nc2)cc(C2CC2)c1,VDAKHFBWSRCGAL-UHFFFAOYSA-N
-rxn:4:185440:223142,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3ccc(C4CCCNC4)nc3)c(F)c2)CC1,YJDKYKRGUZIOMA-UHFFFAOYSA-N
-rxn:4:185442:223279,CC1CN(C(=O)OC(C)(C)C)CCC1c1cc(-c2cnc(C3CCCN3)nc2)cc(C2COC2)c1,MOCPCUPGAYZNHV-UHFFFAOYSA-N
-rxn:4:185511:226714,COC(=O)c1cc(-c2ccnn2C(=O)OC(C)(C)C)c2c(c1)N(C(=O)OC(C)(C)C)CC2,GXMBSNXMKCYYEI-UHFFFAOYSA-N
-rxn:4:185535:226844,COC(=O)[C@@H]1Cc2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2CN1C(=O)OC(C)(C)C,UASXMDCEGIWUAC-SFHVURJKSA-N
-rxn:4:185542:226844,CN(CC1OCCc2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc21)C(=O)OC(C)(C)C,OLAWKHYUUXDABD-UHFFFAOYSA-N
-rxn:4:185544:223179,CONC(=O)c1cc(-c2ccccc2CCC(=O)N2C3CCC2CC(OC)C3)ccc1F,UHYVGZYJNFUJQT-UHFFFAOYSA-N
-rxn:4:185547:223179,CCOC(=O)C1CCN(C(=O)c2cc3cc(-c4ccc(F)c(C(=O)NOC)c4)ccc3oc2=O)CC1,AIIUVLDRNUZRFK-UHFFFAOYSA-N
-rxn:4:185547:226844,CCOC(=O)C1CCN(C(=O)c2cc3cc(-c4ccnc(C(=O)C(F)(F)F)c4)ccc3oc2=O)CC1,ZTTPFMRDCVJPCZ-UHFFFAOYSA-N
-rxn:4:185567:226844,CS(=O)(=O)C1CC2CCC(C1)N2C(=O)CCc1ccccc1-c1ccnc(C(=O)C(F)(F)F)c1,OVKGGVNVUNQTAX-UHFFFAOYSA-N
-rxn:4:185571:226844,O=C(C1COc2ccccc2O1)N(Cc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)o1)C1CCS(=O)(=O)C1,PXYAELIHURVOCC-UHFFFAOYSA-N
-rxn:4:185589:223279,COc1ccc(-c2cnc(C3CCCN3)nc2)cc1C=C1Oc2cc(OC(=O)N3CCOCC3)ccc2C1=O,PZYSCLREAZMMIF-UHFFFAOYSA-N
-rxn:4:185594:223660,Cc1c(C(=O)N(Cc2cccc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)s3)c2)C2CCS(=O)(=O)C2)oc2ccccc12,UJHMNSXNOXQHIY-UHFFFAOYSA-N
-rxn:4:185608:226844,O=C(Cc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1)N1C2CCC1CC(S(=O)(=O)c1ccccc1)C2,ZNNUJLGBQYTBMK-UHFFFAOYSA-N
-rxn:4:185613:223279,COc1ccc(CCC(=O)N2CCC3(CC2)OC(=O)c2ccccc23)cc1-c1cnc(C2CCCN2)nc1,KPDHCINLRFZMTH-UHFFFAOYSA-N
-rxn:4:185630:226844,CC1(C)[C@H]2CC=C(C[N+](C)(C)Cc3ccc(-c4ccccc4-c4ccnc(C(=O)C(F)(F)F)c4)cc3)[C@@H]1C2,FZSJHNDIIHLYFW-LSYYVWMOSA-N
-rxn:4:185647:223927,CC(C)(C)OC(=O)N1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(-c4cc5cccnc5n4COCC[Si](C)(C)C)cc3CC[C@@H]12,XESYESRTWZPABU-BNHMMOKISA-N
-rxn:4:185908:224251,COC(=O)c1ccc(C#N)c(-c2ccc(C(=O)N3CCCC(C)C3)cc2F)c1C(F)(F)F,ZVSJHVFFWVMDDN-UHFFFAOYSA-N
-rxn:4:185966:222521,CCOC(=O)c1cccc([N+](=O)[O-])c1-c1cc(NC(=O)OC(C)(C)C)cc(C(F)(F)F)c1,WTUXOWQGNDJXJH-UHFFFAOYSA-N
-rxn:4:186242:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3cnc(COC(=O)C(C)(C)C)o3)cc21,KWEQJWHRFACMNZ-UHFFFAOYSA-N
-rxn:4:186286:223998,CCS(=O)(=O)c1cc(-c2ccc(S(=O)(=O)N3CCC(C)CC3)c(F)c2)cnc1C(=O)OC,OGOOHMHLJQLMFA-UHFFFAOYSA-N
-rxn:4:186290:223953,COCCN1CCN(c2cc(F)cc(-c3cc(OC(F)(F)F)cc(C(=O)N(C)C)c3)c2)CC1,MDXOKVMXDVMQTR-UHFFFAOYSA-N
-rxn:4:186349:223591,CC(C)COc1cc(-c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)ccc2F)c(Cl)cc1[N+](=O)[O-],ABPJTYHTICOFER-UHFFFAOYSA-N
-rxn:4:186540:226844,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccnc(C(=O)C(F)(F)F)c2)cc(C(F)(F)F)c1,GOVXSTAUTSALHX-UHFFFAOYSA-N
-rxn:4:186541:226844,O=C(ON1C(=O)CCC1=O)c1c(-c2ccnc(C(=O)C(F)(F)F)c2)cccc1C(F)(F)F,RAEBLWOMVJVFCI-UHFFFAOYSA-N
-rxn:4:186543:226844,O=C(ON1C(=O)CCC1=O)c1ccc(C(F)(F)F)c(-c2ccnc(C(=O)C(F)(F)F)c2)c1,LQYMNIFKPNCVKL-UHFFFAOYSA-N
-rxn:4:186545:226844,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccnc(C(=O)C(F)(F)F)c2)c(C(F)(F)F)cc1F,WWDIWLCNXWDRLS-UHFFFAOYSA-N
-rxn:4:186695:223883,CC(C)(C)OC(=O)N1CCCc2cc(-c3ccccc3SCC(=O)N3CCCC3)ccc21,HVIFFWMKTGXBPE-UHFFFAOYSA-N
-rxn:4:186695:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3ccccc3SCC(=O)N3CCCC3)c2)CC1,NWNRWYABQUYIQH-UHFFFAOYSA-N
-rxn:4:186713:223648,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc(OCC(=O)N4CCCC4)c(F)c3)cc2)CC1,RSMZKRLLZNOVDB-UHFFFAOYSA-N
-rxn:4:186736:224482,COC(=O)c1ccc(-c2cccc(OCCCN3CCCC3)c2)c(CN2CC(F)(F)C2)c1,XDNBNEGZMHAWBJ-UHFFFAOYSA-N
-rxn:4:186742:224199,CC(=O)N1CCN(Cc2ccc(-c3cc(OC(F)(F)F)cc(C(=O)N4CCCC4)c3)cc2)CC1,QLRMVKVOECZSGJ-UHFFFAOYSA-N
-rxn:4:186751:226844,O=C(c1cc(-c2ccc(N(C(=O)C(F)(F)F)C3C=CS(=O)(=O)C3)cc2)ccn1)C(F)(F)F,IIKRYVQECTZRIT-UHFFFAOYSA-N
-rxn:4:186880:224571,CC(C)N1CCN(c2ccc(-c3ccc([N+](=O)[O-])c(OCC4CCOCC4)c3)cc2)CC1,ZDPGWNGXMOEERN-UHFFFAOYSA-N
-rxn:4:186921:223179,CONC(=O)c1cc(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCOCC3)c2)ccc1F,QRXNHLCMUSCFKH-UHFFFAOYSA-N
-rxn:4:186948:224015,Cc1cc(F)c(-c2ccc(OC3CN(C(=O)C(C)C)C3)cc2)cc1S(=O)(=O)N1CCOCC1,BEVWVVYBAHLTGU-UHFFFAOYSA-N
-rxn:4:186967:223842,COC(=O)c1cc(CN2CCCC2)cc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC(C)CC2)c1,JYNOOZPPODEGMC-UHFFFAOYSA-N
-rxn:4:187023:223179,CONC(=O)c1cc(-c2cc(OC(F)F)cc(C(=O)N3CCC(F)(F)CC3)c2)ccc1F,YXACNXBHOYWWAX-UHFFFAOYSA-N
-rxn:4:187026:223179,CONC(=O)c1cc(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCC(=O)CC3)c2)ccc1F,CUGWMHDGWMVSEE-UHFFFAOYSA-N
-rxn:4:187027:223179,CONC(=O)c1cc(-c2cc(OC(F)(F)F)cc(C(=O)N3CCC(F)(F)CC3)c2)ccc1F,JXJLGHURGZPBCV-UHFFFAOYSA-N
-rxn:4:187073:224609,CC(C)N(C(=O)c1ccncc1-c1ccc(OCCN2CCC(F)(F)CC2)cc1)C(C)C,RRLZEERNUUTXOK-UHFFFAOYSA-N
-rxn:4:187087:225053,CC1CCCCN1c1ccc(-c2cc(Cl)cc(F)c2OCCN2CCCC(F)(F)C2)c(F)c1,JKZLBHKKSJLUFX-UHFFFAOYSA-N
-rxn:4:187089:225273,CCCOc1cc(C(F)(F)F)ccc1-c1cc(OC)c(C(=O)N2CCC(F)(F)C2)c(OC)c1,GACCDVQKNOECFU-UHFFFAOYSA-N
-rxn:4:187091:226844,O=C(c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1)C1CCN(C(=O)C(F)(F)F)CC1,HUEMMAPMEUVMAU-UHFFFAOYSA-N
-rxn:4:187093:223179,CONC(=O)c1cc(-c2ccc(S(=O)(=O)N3CCCCC3)c(OC(F)(F)F)c2)ccc1F,ZHHUQGYUCNTWMR-UHFFFAOYSA-N
-rxn:4:187094:226844,O=C(c1cc(-c2ccc(CN3CCC(F)(F)CC3)c(OC(F)(F)F)c2)ccn1)C(F)(F)F,FFBVLOVWNGJVEX-UHFFFAOYSA-N
-rxn:4:187095:226844,CC1CN(C(=O)c2cc(OC(F)(F)F)cc(-c3ccnc(C(=O)C(F)(F)F)c3)c2)CCO1,DKNWBZBMSDDGLQ-UHFFFAOYSA-N
-rxn:4:187129:222913,O=C(CS(=O)(=O)c1ccccc1-c1ccc(CNS(=O)(=O)C2CC2)cc1)N1CCCCC1,RKLXRQYGFAHTPO-UHFFFAOYSA-N
-rxn:4:187146:226844,O=C(Cc1cc(F)ccc1-c1ccnc(C(=O)C(F)(F)F)c1)N1CCCC(C(F)(F)F)C1,ZOYLIYRZDGMVLU-UHFFFAOYSA-N
-rxn:4:187147:226844,O=C(Cc1cc(F)ccc1-c1ccnc(C(=O)C(F)(F)F)c1)N1CCC(C(F)(F)F)CC1,BCWVYBUXAGDPPO-UHFFFAOYSA-N
-rxn:4:187148:223179,CONC(=O)c1cc(-c2ccc(CC(=O)N3CCCC(C(F)(F)F)C3)cc2F)ccc1F,ZQRMVYBBQFLJJD-UHFFFAOYSA-N
-rxn:4:187148:226374,O=C(Cc1ccc(-c2cncnc2C2CCCCC2)c(F)c1)N1CCCC(C(F)(F)F)C1,OXPUWVTVNSSYSB-UHFFFAOYSA-N
-rxn:4:187149:226844,O=C(Cc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)c(F)c1)N1CCC(C(F)(F)F)CC1,OOJAYKJUEDPFFV-UHFFFAOYSA-N
-rxn:4:187151:223179,CONC(=O)c1cc(-c2cc(F)ccc2CC(=O)N2CCCC(C(F)(F)F)C2)ccc1F,WSADJQTVDJFARK-UHFFFAOYSA-N
-rxn:4:187151:226844,O=C(Cc1ccc(F)cc1-c1ccnc(C(=O)C(F)(F)F)c1)N1CCCC(C(F)(F)F)C1,CXZBQHHONAOCDJ-UHFFFAOYSA-N
-rxn:4:187152:224810,O=C(Cc1ccc(F)cc1-c1cnc(N2CCCC2)c(C(F)(F)F)c1)N1CCC(C(F)(F)F)CC1,VYSAZGSMCVEDOW-UHFFFAOYSA-N
-rxn:4:187152:226844,O=C(Cc1ccc(F)cc1-c1ccnc(C(=O)C(F)(F)F)c1)N1CCC(C(F)(F)F)CC1,NVKOEBPAROXTAB-UHFFFAOYSA-N
-rxn:4:187154:222697,O=C(CS(=O)(=O)c1ccc(-c2ccc(Cl)c(C(=O)N3CCC(O)CC3)c2)cc1)N1CCC(F)(F)CC1,ACPPTZLTHHKZGQ-UHFFFAOYSA-N
-rxn:4:187156:223179,CONC(=O)c1cc(-c2ccccc2S(=O)(=O)CC(=O)N2CCC(F)(F)CC2)ccc1F,NPIBXXKNNKDOCB-UHFFFAOYSA-N
-rxn:4:187157:223179,CONC(=O)c1cc(-c2cccc(S(=O)(=O)CC(=O)N3CCCC(F)(F)C3)c2)ccc1F,IDTQHKKGMIXZAW-UHFFFAOYSA-N
-rxn:4:187158:223179,CONC(=O)c1cc(-c2cccc(S(=O)(=O)CC(=O)N3CCC(F)(F)CC3)c2)ccc1F,GXPRQSITNRKPJR-UHFFFAOYSA-N
-rxn:4:187158:226844,O=C(CS(=O)(=O)c1cccc(-c2ccnc(C(=O)C(F)(F)F)c2)c1)N1CCC(F)(F)CC1,MPAYSUTZBHZTQL-UHFFFAOYSA-N
-rxn:4:187199:222645,OC1CCN(CCOc2cccc(-c3ccccc3CCCN3CCC(F)(F)CC3)c2)CC1,NHFBGBABMJLHJD-UHFFFAOYSA-N
-rxn:4:187212:222922,CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(C2CN(C(=O)OC(C)(C)C)C2)cc1F,IRJZUUWKUUWPPN-UHFFFAOYSA-N
-rxn:4:187218:225110,CC(C)(C)OC(=O)Oc1ccc(-c2ccc(CCN3CCC(C(F)(F)F)CC3)cc2)cc1,HUXAWUBCCMTQCP-UHFFFAOYSA-N
-rxn:4:187229:225952,COc1cc(S(=O)(=O)N2CCOCC2)c(OC)cc1-c1cnc(N2CCOCC2)nc1C,KVBCWTZAEGNUEB-UHFFFAOYSA-N
-rxn:4:187231:222920,CCN(C1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(-c2ccc(S(=O)(=O)NC3CC3)cc2C)cc1,SMGSNSRTWSSVAG-UHFFFAOYSA-N
-rxn:4:187266:223179,CONC(=O)c1cc(-c2cc(C(=O)N3CCCC(C(F)(F)F)C3)cc(Cl)c2OC)ccc1F,WMBKVILLBJLDLP-UHFFFAOYSA-N
-rxn:4:187266:223279,COc1c(Cl)cc(C(=O)N2CCCC(C(F)(F)F)C2)cc1-c1cnc(C2CCCN2)nc1,JEXODJYTEQZCFU-UHFFFAOYSA-N
-rxn:4:187266:226844,COc1c(Cl)cc(C(=O)N2CCCC(C(F)(F)F)C2)cc1-c1ccnc(C(=O)C(F)(F)F)c1,HFYGFOYJKYROHZ-UHFFFAOYSA-N
-rxn:4:187267:226844,COc1c(Cl)cc(C(=O)N2CCC(C(F)(F)F)CC2)cc1-c1ccnc(C(=O)C(F)(F)F)c1,NVCUOGZKCJSJQG-UHFFFAOYSA-N
-rxn:4:187270:223179,CONC(=O)c1cc(-c2ccc(C(F)(F)F)cc2CN2CCCC(C(F)(F)F)C2)ccc1F,PJZWKMYQAPTJFF-UHFFFAOYSA-N
-rxn:4:187270:226844,O=C(c1cc(-c2ccc(C(F)(F)F)cc2CN2CCCC(C(F)(F)F)C2)ccn1)C(F)(F)F,ASMUVWMFDXFYAG-UHFFFAOYSA-N
-rxn:4:187271:223179,CONC(=O)c1cc(-c2ccc(C(F)(F)F)cc2CN2CCC(C(F)(F)F)CC2)ccc1F,UQTGVEJQOJJOID-UHFFFAOYSA-N
-rxn:4:187276:223179,CONC(=O)c1cc(-c2cc(C(F)(F)F)cc(S(=O)(=O)N3CCC(C(F)(F)F)CC3)c2)ccc1F,VLLOFAUEEPGVRF-UHFFFAOYSA-N
-rxn:4:187276:223279,O=S(=O)(c1cc(-c2cnc(C3CCCN3)nc2)cc(C(F)(F)F)c1)N1CCC(C(F)(F)F)CC1,IRXGTYWMQCBJMH-UHFFFAOYSA-N
-rxn:4:187276:228808,CSc1cc(F)cc(-c2cc(C(F)(F)F)cc(S(=O)(=O)N3CCC(C(F)(F)F)CC3)c2)c1,BZKCXHLPUABEFM-UHFFFAOYSA-N
-rxn:4:187295:222607,Cc1ccc(C(=O)N(C(C)C)C(C)C)c(-c2ccc(NC3CCN(S(C)(=O)=O)CC3)cc2)c1,ZGRCVJRYZGCZGU-UHFFFAOYSA-N
-rxn:4:187311:223951,CC1CCCN(CCOc2c(F)cc(Cl)cc2-c2ccc(OCCN3CCN(C)CC3)c(F)c2)C1,KLZJZJWGLXXSHZ-UHFFFAOYSA-N
-rxn:4:187318:225353,COC(=O)c1ccc(-c2ccc(C(=O)OC)c(C(F)(F)F)c2)c(CN2CCOC(C)C2)c1,TVQCKJHMRAIJMP-UHFFFAOYSA-N
-rxn:4:187327:226844,CC(C)(C)OC(=O)N1[C@@H](c2cccc(-c3ccnc(C(=O)C(F)(F)F)c3)c2)COS1(=O)=O,UJJPVLYXQATIBS-MRXNPFEDSA-N
-rxn:4:187328:226844,CC(C)(C)OC(=O)N1C(c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2)COS1(=O)=O,NIVOJCPDXABBIV-UHFFFAOYSA-N
-rxn:4:187335:226844,COc1cc(-c2ccnc(C(=O)C(F)(F)F)c2)cc(OC)c1C(=O)N1CCC(F)(F)CC1,ODPLQWPJOVBDRL-UHFFFAOYSA-N
-rxn:4:187336:223179,CONC(=O)c1cc(-c2cc(OC)c(C(=O)N3CCCC(F)(F)C3)c(OC)c2)ccc1F,TXZCWOGYYKVAMM-UHFFFAOYSA-N
-rxn:4:187374:223897,Cc1ccc(-c2cccc(S(=O)(=O)CC(=O)N3CCC(C)CC3)c2)cc1OCCCN1CCOCC1,TUDYYHPUGFFDQO-UHFFFAOYSA-N
-rxn:4:187378:223901,CC1CCN(CCOc2ccc(-c3ccccc3S(=O)(=O)CC(=O)N3CCCC(C)C3)cc2Cl)CC1,MYDGRBKYTJTPBE-UHFFFAOYSA-N
-rxn:4:187417:224842,CC(C)(C)OC(=O)N1CCC(c2ccccc2-c2ccc3c(c2)C(C)(C)CCC3(C)C)C1,RSFQEAKNXIRIDJ-UHFFFAOYSA-N
-rxn:4:187428:225009,COC(=O)c1cc(-c2cc(C)cnc2OC2CCCCC2)ccc1CN1CCCCC1C,HEXIREFAKSJSKO-UHFFFAOYSA-N
-rxn:4:187431:224740,COC(=O)c1cc(CN2CCCCC2C)cc(-c2cccc(S(=O)(=O)N(C)C(C)(C)C)c2)c1,MOEDDPGTOJBGLA-UHFFFAOYSA-N
-rxn:4:187470:225051,COc1ccc(C=C2SC(=S)N(c3ccc(-c4cc(F)cc(N5CCCC(C)C5)c4)cc3)C2=O)c(OC)c1,LWMWEBHSCJDYCN-UHFFFAOYSA-N
-rxn:4:187483:222723,CCC1CCCCN1S(=O)(=O)c1ccc(-c2cccc(NS(=O)(=O)N3CCOCC3)c2)c(OC)c1,VQIQLJHOBGLNKY-UHFFFAOYSA-N
-rxn:4:187494:222929,CC(C)(C)OC(=O)N1CCOC(c2ccc(-c3cnc(Cl)c(N4CCC(O)CC4)c3)cc2)C1,SSVGRSUBNWUFPK-UHFFFAOYSA-N
-rxn:4:187500:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3cc(OC)c(C(=O)N4CCCCC4C)c(OC)c3)cc2)CC1,ZGHRGBXIGAUAEE-MEELFCDTSA-N
-rxn:4:187503:223179,CONC(=O)c1cc(-c2ccc(OCCN3CCC4(CC3)OCCO4)c(Cl)c2)ccc1F,ULXUQJPOMDQXHM-UHFFFAOYSA-N
-rxn:4:187506:223179,CONC(=O)c1cc(-c2ccc(C3CN(C(=O)OC(C)(C)C)CCO3)cc2F)ccc1F,PSKUUAPCKMDZCB-UHFFFAOYSA-N
-rxn:4:187507:223179,CONC(=O)c1cc(-c2cc(C3CN(C(=O)OC(C)(C)C)CCO3)ccc2F)ccc1F,PHEGEZOTMZMDHR-UHFFFAOYSA-N
-rxn:4:187528:224376,CN1CCN(S(=O)(=O)c2cccc(-c3ccc(C(=O)c4cccc(CN5CCSCC5)c4)cc3F)c2)CC1,PDMKERKGOXFAHU-UHFFFAOYSA-N
-rxn:4:187531:222716,O=C(c1ccc(-c2ccc(S(=O)(=O)NC3CCCC3)c(F)c2)c(F)c1)c1ccccc1CN1CCSCC1,CCRAGQHTLMAEEE-UHFFFAOYSA-N
-rxn:4:187537:223179,CONC(=O)c1cc(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)ccc1F,NHRXQUJPRMTMBJ-UHFFFAOYSA-N
-rxn:4:187539:224129,CN(C(=O)c1cccc(-c2ccc(CN([Si](C)(C)C)[Si](C)(C)C)cc2)c1)C1CCCCC1,DERFJEUPMPOFMF-UHFFFAOYSA-N
-rxn:4:187540:223499,CC(C)N(C)Cc1cc(-c2ccc(Cl)c(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)cc(C(C)(C)C)c1,QSRZEPLZBCOCJK-UHFFFAOYSA-N
-rxn:4:187555:226844,O=C(CCc1ccccc1-c1ccnc(C(=O)C(F)(F)F)c1)N1CCC2(CC1)OCCS2,FOCQJZMUANZRGL-UHFFFAOYSA-N
-rxn:4:187557:226844,CC(C)(C)OC(=O)N1C(=O)CCC[C@@H]1c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1,GOTIUBBKGLJCFF-GOSISDBHSA-N
-rxn:4:187561:223179,CONC(=O)c1cc(-c2ccc(Cl)c(C(=O)N3CCC(S(=O)(=O)C(C)(C)C)C3)c2)ccc1F,SEYQHJSBDLKAEF-UHFFFAOYSA-N
-rxn:4:187561:225390,CC(C)Cc1cc(-c2ccc(Cl)c(C(=O)N3CCC(S(=O)(=O)C(C)(C)C)C3)c2)cc(C2CC2)c1,YGPNFSZCBFCOQD-UHFFFAOYSA-N
-rxn:4:187561:226762,CSc1cc(-c2ccc(Cl)c(C(=O)N3CCC(S(=O)(=O)C(C)(C)C)C3)c2)cc(C(F)(F)F)c1,WTJKLZCYFMIIOW-UHFFFAOYSA-N
-rxn:4:187574:224689,CC(C)(C)OC(=O)N1CCC(c2ccccc2-c2ccc(C(=O)N3CCCCC3)cc2Cl)CC1,OLNXMOSWQUEOAW-UHFFFAOYSA-N
-rxn:4:187579:223179,CONC(=O)c1cc(-c2cc(C3CCN(C(=O)OC(C)(C)C)CC3C)co2)ccc1F,GFRPMJWPRHPVPI-UHFFFAOYSA-N
-rxn:4:187580:223179,CONC(=O)c1cc(-c2ccc(C3CCN(C(=O)OC(C)(C)C)CC3C)o2)ccc1F,HIEHPAPGQQYBGP-UHFFFAOYSA-N
-rxn:4:187580:226844,CC1CN(C(=O)OC(C)(C)C)CCC1c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)o1,QQONZLWLNMZESE-UHFFFAOYSA-N
-rxn:4:187581:223179,CONC(=O)c1cc(-c2coc(C3CCN(C(=O)OC(C)(C)C)CC3C)c2)ccc1F,SPFJNRTTWWYSFB-UHFFFAOYSA-N
-rxn:4:187587:222948,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3cnc(N4CCC(O)CC4)nc3Cl)cc2Cl)CC1,FIALRTXUMOHIAU-UHFFFAOYSA-N
-rxn:4:187589:226844,CC(C)(C)OC(=O)N1CCCC(c2ccc(F)c(-c3ccnc(C(=O)C(F)(F)F)c3)c2)C1,AYHSCHWZAUFJSB-UHFFFAOYSA-N
-rxn:4:187591:226844,CC(C)(C)OC(=O)N1CCCC(c2cc(F)ccc2-c2ccnc(C(=O)C(F)(F)F)c2)C1,XELKDCBXIIRVSN-UHFFFAOYSA-N
-rxn:4:187592:226844,CC(C)(C)OC(=O)N1CCC(c2ccc(F)c(-c3ccnc(C(=O)C(F)(F)F)c3)c2)CC1,GVEPXGKBXHYVGU-UHFFFAOYSA-N
-rxn:4:187598:226844,O=C(c1ccccc1-c1ccnc(C(=O)C(F)(F)F)c1)N1CC(S(=O)(=O)C2CCCCC2)C1,ASOKWBIPZFLVBS-UHFFFAOYSA-N
-rxn:4:187627:226844,CCC1CCCCN1S(=O)(=O)c1cc(-c2ccnc(C(=O)C(F)(F)F)c2)c(C)cc1OC,NHOQPLAIYWOYNN-UHFFFAOYSA-N
-rxn:4:187630:223179,CONC(=O)c1cc(-c2ccc(CCC(=O)N3CCC(=C4CCC4)CC3)cc2)ccc1F,WNTXLVTVVLTKMH-UHFFFAOYSA-N
-rxn:4:187630:226844,O=C(CCc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1)N1CCC(=C2CCC2)CC1,JVVSHXXODLIKAX-UHFFFAOYSA-N
-rxn:4:187632:226844,CC(C)(C)OC(=O)N1CCOC(C)(c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2)C1,JTWNYWADBIZHTL-UHFFFAOYSA-N
-rxn:4:187633:226844,CC(C)(C)OC(=O)N1CCOC(C)(c2cccc(-c3ccnc(C(=O)C(F)(F)F)c3)c2)C1,YYKBOZQPILBIFQ-UHFFFAOYSA-N
-rxn:4:187648:223279,CC(C)(C)OC(=O)N1CCCC(C)(c2ccc(-c3cnc(C4CCCN4)nc3)cc2)C1=O,BAQWVMGQSDRUNF-UHFFFAOYSA-N
-rxn:4:187656:223179,CCN(C1CCCCC1)S(=O)(=O)c1cc(C)c(-c2ccc(F)c(C(=O)NOC)c2)cc1C,CQRFLXJWKJQSMH-UHFFFAOYSA-N
-rxn:4:187659:223179,CONC(=O)c1cc(-c2ccc(C3(C)CCN(C(=O)OC(C)(C)C)CC3)cc2)ccc1F,YHILBFPKLBSNAQ-UHFFFAOYSA-N
-rxn:4:187659:223181,CCNS(=O)(=O)c1cccc(-c2ccc(C3(C)CCN(C(=O)OC(C)(C)C)CC3)cc2)c1,FGOCBZYMQFIYGU-UHFFFAOYSA-N
-rxn:4:187662:226844,Cc1cc(-c2ccnc(C(=O)C(F)(F)F)c2)cc(C2CCN(C(=O)OC(C)(C)C)CC2)c1,DNXJONZSCSYHNS-UHFFFAOYSA-N
-rxn:4:187668:226844,CC1CN(C(=O)OC(C)(C)C)CCC1c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1,LIASRBZJCBLJQX-UHFFFAOYSA-N
-rxn:4:187669:222823,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc(C3(C)CCCN(C(=O)OC(C)(C)C)C3)cc2)c(F)c1,WTWGXUMRIJPVBM-UHFFFAOYSA-N
-rxn:4:187669:223836,COc1ncnc2c1cc(-c1ccc(C3(C)CCCN(C(=O)OC(C)(C)C)C3)cc1)n2C(=O)OC(C)(C)C,ACMUEIBGJDRYGZ-UHFFFAOYSA-N
-rxn:4:187671:223279,CC(C)(C)c1cc(CN2CCC(C(F)(F)F)CC2)cc(-c2cnc(C3CCCN3)nc2)c1,WLIRVODOCSBEFX-UHFFFAOYSA-N
-rxn:4:187672:223183,CNS(=O)(=O)c1ccc(-c2cc(CN3CCCC(C(F)(F)F)C3)cc(C(C)(C)C)c2)c(C)c1,QMRZPCXQABAUOX-UHFFFAOYSA-N
-rxn:4:187677:223179,CONC(=O)c1cc(-c2ccc(C3CC34CCN(C(=O)OC(C)(C)C)CC4)cc2)ccc1F,WEBJMSRGGUPBSQ-UHFFFAOYSA-N
-rxn:4:187677:226844,CC(C)(C)OC(=O)N1CCC2(CC1)CC2c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1,CDTIMVQAARZIBC-UHFFFAOYSA-N
-rxn:4:187677:228092,CCN(CC)c1csc(-c2ccc(C3CC34CCN(C(=O)OC(C)(C)C)CC4)cc2)c1,WBKZTXBIMVHHTB-UHFFFAOYSA-N
-rxn:4:187679:225048,Cc1cc(N2CCN(C)CC2)ccc1-c1ccc(C(=O)N(C2CCCCC2)C2CCCCC2)cc1,XWPPOVWJCZBIOV-UHFFFAOYSA-N
-rxn:4:187680:226844,O=C(c1ccccc1-c1ccnc(C(=O)C(F)(F)F)c1)N(C1CCCCC1)C1CCCCC1,SVUVYWLJOXCNPT-UHFFFAOYSA-N
-rxn:4:187680:227575,COc1ccc(OC)c(-c2ccccc2C(=O)N(C2CCCCC2)C2CCCCC2)c1F,RWHBDFYWZVMJOF-UHFFFAOYSA-N
-rxn:4:187681:223187,CONS(=O)(=O)c1cccc(-c2cc(C)cc(C3CCN(C(=O)OC(C)(C)C)CC3C)c2)c1,ZMZYOAHEMHVUEI-UHFFFAOYSA-N
-rxn:4:187681:223279,Cc1cc(-c2cnc(C3CCCN3)nc2)cc(C2CCN(C(=O)OC(C)(C)C)CC2C)c1,KLLFCECXPLOTOF-UHFFFAOYSA-N
-rxn:4:187689:226844,O=C(c1ccc(CN2CCC3(CC2)OCCO3)cc1)c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1F,MYKWOMCZOBQQLY-UHFFFAOYSA-N
-rxn:4:187691:226844,O=C(c1cccc(CN2CCC3(CC2)OCCO3)c1)c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1F,WOWMNMNHDSZTJF-UHFFFAOYSA-N
-rxn:4:187692:222896,CC(C)(C)OC(=O)NCc1ccc(-c2ccc(C(=O)c3ccccc3CN3CCC4(CC3)OCCO4)cc2F)s1,LBWSPYJDEWHYMG-UHFFFAOYSA-N
-rxn:4:187695:223279,CC(C)(C)[Si](C)(C)OC1CCN(c2cc(F)cc(-c3cnc(C4CCCN4)nc3)c2)CC1,QDZNUNGLMFNONP-UHFFFAOYSA-N
-rxn:4:187821:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2cccc3c2CN(CC(=O)OC(C)(C)C)C3=O)cc1,ZHMQPSQDLJZWFZ-UHFFFAOYSA-N
-rxn:4:187942:224420,Cc1cc2c(cc1-c1cccc3c1cc([Si](C)(C)C)n3C(=O)OC(C)(C)C)C(C)(C)CCC2(C)C,XKGJJDLPPNJEHH-UHFFFAOYSA-N
-rxn:4:187944:223179,CONC(=O)c1cc(-c2ccc3c(c2)OCCCC3OCCN2CCOCC2)ccc1F,IFXLCTQMBFKMPW-UHFFFAOYSA-N
-rxn:4:187945:226844,COC(=O)C1=Cc2cc(-c3ccnc(C(=O)C(F)(F)F)c3)ccc2N(CC(C)C)CCC1,ANZNQIJPOHUDLF-UHFFFAOYSA-N
-rxn:4:187950:222694,O=C(c1ccc(-c2cccc(S(=O)(=O)NC3CCCCC3)c2)o1)N1C2CCC1CC(S(=O)(=O)c1ccccc1)C2,NHAULEREBVFIQL-UHFFFAOYSA-N
-rxn:4:187955:226844,O=C1C(=Cc2ccccc2-c2ccnc(C(=O)C(F)(F)F)c2)Oc2cc(OC(=O)N3CCOCC3)ccc21,NFCVHQADLDMNDB-UHFFFAOYSA-N
-rxn:4:187956:223179,CONC(=O)c1cc(-c2ccc(C=C3Oc4cc(OC(=O)N5CCOCC5)ccc4C3=O)cc2)ccc1F,NDLMEMZKSLDXQK-UHFFFAOYSA-N
-rxn:4:187957:226844,O=C1C(=Cc2cccc(-c3ccnc(C(=O)C(F)(F)F)c3)c2)Oc2cc(OC(=O)N3CCOCC3)ccc21,SOWSYZVGYDOHTD-UHFFFAOYSA-N
-rxn:4:187969:222715,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3cc(Cl)c(F)c(NC(=O)OC(C)(C)C)c3)cccc21,MOSVNVRWDLLZCJ-UHFFFAOYSA-N
-rxn:4:187969:224719,CC(C)c1nn(C(=O)OC(C)(C)C)cc1-c1cccc2c1ccn2[Si](C(C)C)(C(C)C)C(C)C,BMWDWOISYMIHEL-UHFFFAOYSA-N
-rxn:4:187981:223568,Cc1ccc(SC2=CC(=NS(=O)(=O)c3ccc(-c4cnc5c(ccn5[Si](C(C)C)(C(C)C)C(C)C)c4Cl)cc3)c3ccccc3C2=O)cc1,YLNGXBLJWZWZIE-UHFFFAOYSA-N
-rxn:4:187985:223279,CC(C)(C)OC(=O)N1CCC2(c3ccc(-c4cnc(C5CCCN5)nc4)cc3)CCOCC12,FFFZARMLHWUOTP-UHFFFAOYSA-N
-rxn:4:187991:226844,CC1CCC2C(=O)N(c3ccc(OC(=O)c4ccccc4-c4ccnc(C(=O)C(F)(F)F)c4)cc3)C(=O)C2C1,RLSUFOKRTFAOHK-UHFFFAOYSA-N
-rxn:4:187995:223279,CCc1cc(-c2cnc(C3CCCN3)nc2)cc2c1OC1(CCN(C(=O)OC(C)(C)C)C1)CC2=O,DZAAODKPTYAAAG-UHFFFAOYSA-N
-rxn:4:188013:226844,O=C(Oc1ccc(N2C(=O)C3C4CCC(C4)C3C2=O)cc1)c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1,WWHYBMPRMLBGIC-UHFFFAOYSA-N
-rxn:4:188014:223179,CONC(=O)c1cc(-c2ccc(C(=O)Oc3ccccc3N3C(=O)C4C5CCC(C5)C4C3=O)cc2)ccc1F,JVQWDJKZQWWGLH-UHFFFAOYSA-N
-rxn:4:188014:226844,O=C(Oc1ccccc1N1C(=O)C2C3CCC(C3)C2C1=O)c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1,ZVRWOCWYIYKXBH-UHFFFAOYSA-N
-rxn:4:188021:225867,CSc1ccc(C2c3c(oc4ccc(-c5cnc(Cl)c(N6CCCCC6)c5)cc4c3=O)C(=O)N2CC2CCCO2)cc1,FGBFZTGGOXUQLG-UHFFFAOYSA-N
-rxn:4:188175:223698,O=[N+]([O-])c1cc(OC(F)F)cc(F)c1-c1ccc(OC(F)(F)F)c(S(=O)(=O)N2CCCC2)c1,QTBPBAWNUBMFDL-UHFFFAOYSA-N
-rxn:4:188190:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3ccc(OC(F)F)c(F)c3[N+](=O)[O-])ccn2)CC1,SPNNXEORUVIQCQ-UHFFFAOYSA-N
-rxn:4:188499:224797,CCCCOc1c(F)c(F)c(-c2cc(C(F)(F)F)c(C(F)(F)F)cc2[N+](=O)[O-])c(F)c1F,QMVFFJPTOBLBNI-UHFFFAOYSA-N
-rxn:4:189507:224818,O=S(=O)(c1cc(-c2ccc(S(=O)(=O)N3CCSCC3)cc2)cc(C(F)(F)F)c1)N1CCC1,DBTQDIWMUNTZKP-UHFFFAOYSA-N
-rxn:4:189608:222889,Fc1cc(CN2CCNCC2)cc(-c2cc(OC(F)(F)F)cc(N3CCC(F)(F)C3)c2)c1,JCPFTUSAXPYOLZ-UHFFFAOYSA-N
-rxn:4:189767:224485,CC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2cccc(C(F)(F)F)c2C(=O)N2CCC(F)(F)C2)c1,DKOJDSTXHGEXSX-UHFFFAOYSA-N
-rxn:4:189831:223941,CC(C)(C)OC(=O)N1C(=O)Cc2cc(-c3ccc(CC(=O)N4CCOCC4)cc3F)ccc21,CLPVNNSWAPTXLU-UHFFFAOYSA-N
-rxn:4:189847:224462,CC(=O)N(c1ccc(-c2ccc(C3CCN(C4CC4)CC3)cc2)cc1)C1C=CS(=O)(=O)C1,DDEJRNGLWIWXOM-UHFFFAOYSA-N
-rxn:4:189865:224826,CCOC(=O)c1cc(-c2cc(C(=O)N3CCC(F)(F)C3)cc(Cl)c2OC)cnc1C(F)(F)F,NDBFLKCRPRELLS-UHFFFAOYSA-N
-rxn:4:189888:226844,O=C(c1cc(-c2ccc(S(=O)(=O)N3CCC(F)(F)C3)c(C(F)(F)F)c2)ccn1)C(F)(F)F,PCPJGUZOQJCTPF-UHFFFAOYSA-N
-rxn:4:189920:223646,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3cc(OC(F)F)cc(N4CCCCC4)c3)cc2)C1,MHKMANGZYPVGPC-UHFFFAOYSA-N
-rxn:4:190084:223179,CONC(=O)c1cc(-c2cccc(C(F)(F)F)c2C(=O)N2CCCC(F)(F)C2)ccc1F,FOFKLOKEUYYRBJ-UHFFFAOYSA-N
-rxn:4:190085:226844,O=C(c1c(-c2ccnc(C(=O)C(F)(F)F)c2)cccc1C(F)(F)F)N1CCC(F)(F)CC1,BLYXNPFGSUYNBD-UHFFFAOYSA-N
-rxn:4:190111:222537,CCS(=O)(=O)N1CCCC1c1ccc(-c2cc(C3CCCC3)nc(C3CCCNC3)c2)cc1,ILWSLJYGXLSOHT-UHFFFAOYSA-N
-rxn:4:190111:222725,CCNS(=O)(=O)c1ccc(-c2ccc(C3CCCN3S(=O)(=O)CC)cc2)c(C(F)(F)F)c1,FBSNLPPWVRSKLF-UHFFFAOYSA-N
-rxn:4:190121:224376,Cc1cc(CC(=O)N2CCOCC2)ccc1-c1cccc(S(=O)(=O)N2CCN(C)CC2)c1,HMVQOLVBOPXWEH-UHFFFAOYSA-N
-rxn:4:190144:224146,Cc1cc(O[Si](C)(C)C(C)(C)C)cc(C)c1-c1ccc(F)cc1CCN1CCC(F)(F)CC1,KOFUOCJNEXLIGB-UHFFFAOYSA-N
-rxn:4:190166:225746,CC(C)(C)OC(=O)c1ncccc1-c1ccc(S(=O)(=O)N2CCCCC2)cc1C(F)(F)F,OGVJXFXIXFNDRW-UHFFFAOYSA-N
-rxn:4:190171:226844,CC1(C)OC(=O)C(Cc2cc([N+](=O)[O-])ccc2-c2ccnc(C(=O)C(F)(F)F)c2)C(=O)O1,QEWIUDYSSVSDMH-UHFFFAOYSA-N
-rxn:4:190173:223179,CONC(=O)c1cc(-c2cc(S(=O)(=O)N3CCC(C(F)(F)F)CC3)c(F)cc2F)ccc1F,RHPJDBWESVAUPR-UHFFFAOYSA-N
-rxn:4:190174:223179,CONC(=O)c1cc(-c2cc(S(=O)(=O)N3CCCC(C(F)(F)F)C3)c(F)cc2F)ccc1F,QRBPBDGMGLACFM-UHFFFAOYSA-N
-rxn:4:190174:226844,O=C(c1cc(-c2cc(S(=O)(=O)N3CCCC(C(F)(F)F)C3)c(F)cc2F)ccn1)C(F)(F)F,OQZQLPYOWPODMX-UHFFFAOYSA-N
-rxn:4:190175:223179,CONC(=O)c1cc(-c2cc(S(=O)(=O)N3CCCCC3C(F)(F)F)c(F)cc2F)ccc1F,AWVDDNXFPWVHPW-UHFFFAOYSA-N
-rxn:4:190178:223179,CONC(=O)c1cc(-c2ccc(S(=O)(=O)N3CCCC(F)(F)C3)c(C(F)(F)F)c2)ccc1F,DJGTTZXONBWTME-UHFFFAOYSA-N
-rxn:4:190179:223179,CONC(=O)c1cc(-c2ccc(S(=O)(=O)N3CCC(F)(F)CC3)c(C(F)(F)F)c2)ccc1F,MCZBFWUSDNEQEM-UHFFFAOYSA-N
-rxn:4:190214:224018,COc1cc(S(=O)(=O)N2CCCCC2)ccc1-c1cc(F)c(F)cc1S(=O)(=O)N1CCOCC1,ZMEWTJKCBAZZMH-UHFFFAOYSA-N
-rxn:4:190214:224458,COc1cc(S(=O)(=O)N2CCCCC2)ccc1-c1ccc(C(C)N2CCC(C)CC2)cc1,WVQUFWBXHSBPGZ-UHFFFAOYSA-N
-rxn:4:190256:222723,COc1cc(-c2cccc(NS(=O)(=O)N3CCOCC3)c2)ccc1OC1CCN(C)CC1,KQUAWABXPYRHHX-UHFFFAOYSA-N
-rxn:4:190262:224410,Cc1cc(CC(=O)N2CCCCC2)ccc1-c1ccc(OCC(F)(F)F)c(C(F)(F)F)c1,PVJZXBQGRCMNOB-UHFFFAOYSA-N
-rxn:4:190288:223098,CC(=O)NS(=O)(=O)c1ccc(-c2ccc(C(=O)N3CCCC(C)C3)cc2C(F)(F)F)cc1,GVYVCEJTPSRNTM-UHFFFAOYSA-N
-rxn:4:190301:223941,Cc1cc(C(C)(C)O[Si](C)(C)C)ncc1-c1ccc2c(c1)CC(=O)N2C(=O)OC(C)(C)C,CXYZHUTWIKBXRB-UHFFFAOYSA-N
-rxn:4:190330:222635,CC(C)S(=O)(=O)N1CCCC1c1ccc(-c2cccc([C@H](C)NC(=O)OC(C)(C)C)c2)cc1,DCZAPKNFSFNRDE-XGLRFROISA-N
-rxn:4:190330:224059,COc1c(-c2ccc(C3CCCN3S(=O)(=O)C(C)C)cc2)cc(C(C)(C)C)cc1C(C)(C)C,USMWXIFEAPMYPI-UHFFFAOYSA-N
-rxn:4:190355:226844,CC1CCN(S(=O)(=O)c2cc(-c3ccnc(C(=O)C(F)(F)F)c3)cc(C(F)(F)F)c2)CC1,FMZASHBZPQWBLZ-UHFFFAOYSA-N
-rxn:4:190356:226844,O=C(c1ccc(C(F)(F)F)c(-c2ccnc(C(=O)C(F)(F)F)c2)c1)N1CCC2(CC1)CC2,NODOKZHBMBNGEY-UHFFFAOYSA-N
-rxn:4:190357:226844,O=C(c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)c(C(F)(F)F)c1)N1CCC2(CC1)CC2,GFILJSFKDLZTSX-UHFFFAOYSA-N
-rxn:4:190373:222813,COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1-c1cnc(NC(=O)OC(C)(C)C)c(Cl)c1,MONFOWBYFKNUCM-UHFFFAOYSA-N
-rxn:4:190380:225375,COc1cc(S(=O)(=O)N2CCCCCC2)ccc1-c1ccc(OC(F)(F)C(F)(F)F)cc1,HKNJPHSSFLGGPJ-UHFFFAOYSA-N
-rxn:4:190393:224634,COc1ccc(-c2cc(F)ccc2N2CCCC(C(=O)C(C)C)C2=O)cc1CN1CCOCC1,LGLCHLLDESVAAX-UHFFFAOYSA-N
-rxn:4:190397:223179,CONC(=O)c1cc(-c2ccc(C(=O)CN3C(=O)CC4(CCCC4)C3=O)cc2)ccc1F,AGOJJTUFIHWQQE-UHFFFAOYSA-N
-rxn:4:190397:226844,O=C(CN1C(=O)CC2(CCCC2)C1=O)c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1,CMCRZFNLXBIUBP-UHFFFAOYSA-N
-rxn:4:190426:224863,CC(C)N(Cc1ccccc1-c1ccc(C2CCN(S(=O)(=O)C(C)C)CC2)cc1)C(C)C,IPSRVVIENSQNDZ-UHFFFAOYSA-N
-rxn:4:190441:223645,CCOC(=O)C1CCCN(C(=O)c2cccc(-c3ccc(OC)c(S(=O)(=O)N4CC(C)CC(C)C4)c3)c2)C1,DAOYGAPBGYIYPY-UHFFFAOYSA-N
-rxn:4:190442:223678,COc1cc(C)c(-c2cc(C(F)(F)F)cc(OCc3ccccc3)c2F)cc1S(=O)(=O)N1CCCC(C)C1,CVCZWTUQCBDKSS-UHFFFAOYSA-N
-rxn:4:190446:222936,CCC(=O)NS(=O)(=O)c1ccc(-c2ccc(N3CCCC(C(=O)C(C)C)C3=O)cc2C)cc1,LVOAXWNFGKOQML-UHFFFAOYSA-N
-rxn:4:190448:222629,Cc1cccc(N2CCCC(C(=O)C(C)C)C2=O)c1-c1cc(C2CCCNC2)nc(C(C)(C)C)c1,REDHWSYGHBAWRU-UHFFFAOYSA-N
-rxn:4:190451:226844,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1ccnc(C(=O)C(F)(F)F)c1,QZDSONCYVBRFTQ-UHFFFAOYSA-N
-rxn:4:190452:223179,CONC(=O)c1cc(-c2ccc(OC)c(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)ccc1F,ABCIPPTYBSJQEO-UHFFFAOYSA-N
-rxn:4:190452:226844,COc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1S(=O)(=O)N1CCC2(CC1)OCCO2,KNYSVGCHUHRKNC-UHFFFAOYSA-N
-rxn:4:190453:222695,Cc1ccccc1C1CCN(C(=O)c2ccc(-c3ccc(C)c(S(=O)(=O)NC4CCCC4)c3)o2)CCS1,KBILWVIJUBVPAD-UHFFFAOYSA-N
-rxn:4:190469:223179,CONC(=O)c1cc(-c2cccc(-c3ccc(C=C4SC(=S)N(C5CCS(=O)(=O)C5)C4=O)o3)c2)ccc1F,YPEGHTAWYQBBHL-UHFFFAOYSA-N
-rxn:4:190469:226844,O=C1C(=Cc2ccc(-c3cccc(-c4ccnc(C(=O)C(F)(F)F)c4)c3)o2)SC(=S)N1C1CCS(=O)(=O)C1,VRXXUFMNJWYCOR-UHFFFAOYSA-N
-rxn:4:190471:224884,Cc1cc(S(=O)(=O)N(C)C2CCCCC2)c(C)cc1-c1cccc(CN2CCC(C)CC2)c1,CNRDFUNEWUXPGM-UHFFFAOYSA-N
-rxn:4:190485:222875,CC(C)(C)NC(=O)c1ccc(F)c(-c2cccc(C(=O)N3CCC(c4ccccc4F)S(=O)(=O)CC3)c2)c1,DPHJSDMBSRIPJH-UHFFFAOYSA-N
-rxn:4:190485:224883,CC(c1ccc(-c2cccc(C(=O)N3CCC(c4ccccc4F)S(=O)(=O)CC3)c2)cc1)N1CCCCC1,YIVVVOJNVAWCAK-UHFFFAOYSA-N
-rxn:4:190790:224325,COc1cc(-c2ccc(C3=CCN(S(C)(=O)=O)CC3)cc2)ccc1C(=O)N1CC2CC2C1,OWAOBDBTSITAGJ-UHFFFAOYSA-N
-rxn:4:190855:224738,CC(C)(C)OC(=O)N1CCc2c(csc2-c2cc(OCC3CC3)cc(C(F)(F)F)c2)C1,FAELJQZULPAFCH-UHFFFAOYSA-N
-rxn:4:190927:224609,CC(C)N(C(=O)c1ccncc1-c1ccc2c(c1)CCN(C(=O)OC(C)(C)C)C2=O)C(C)C,HIMMGAHIRUFBPJ-UHFFFAOYSA-N
-rxn:4:190969:223728,CCCCCC1CCC(c2ccc(-c3c(OC(=O)N4CCCCC4)ccc4ccccc34)c(F)c2)CC1,IARHDACUAQLVOY-UHFFFAOYSA-N
-rxn:4:190972:226844,CS(=O)(=O)C1CC2CCC(C1)N2C(=O)c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)o1,GQPHDPCTWCMBSF-UHFFFAOYSA-N
-rxn:4:190986:222912,CC(C)CNS(=O)(=O)c1ccc(-c2cccc3c2OCCN(C(=O)OC(C)(C)C)C3)cc1,NEGGXRPZFVIYHY-UHFFFAOYSA-N
-rxn:4:190999:224658,CC(=O)N1CCN(c2ccc(-c3ccc4c(c3)CN(Cc3ccccc3C(F)(F)F)C(=O)CO4)cc2)CC1,CSIBTXMFEGAXQU-UHFFFAOYSA-N
-rxn:4:191030:222601,CC(C)(C)OC(=O)Nc1nc2c(-c3ccc4c(c3)C(C)(C)N(C(=O)OC(C)(C)C)C4)cccc2s1,DNUJWQGZGFFQHP-UHFFFAOYSA-N
-rxn:4:191030:223774,COc1cccc2c1cc(-c1ccc3c(c1)C(C)(C)N(C(=O)OC(C)(C)C)C3)n2C(=O)OC(C)(C)C,QUURFXKOUPICAN-UHFFFAOYSA-N
-rxn:4:191031:224485,CC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2ccc3c(c2)CCN(C(=O)OC(C)(C)C)CC3)c1,JSAZVTNAQOZACL-UHFFFAOYSA-N
-rxn:4:191033:222918,CC(C)(C)NS(=O)(=O)c1cccc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)CCC3)c1,ARSFJQSEJKWPDF-UHFFFAOYSA-N
-rxn:4:191034:222545,CC(C)(C)OC(=O)NC(C)(C)c1ccc(-c2ccc3c(c2)CCCN(C(=O)OC(C)(C)C)C3)cc1,NOXACKQZVXXKJU-UHFFFAOYSA-N
-rxn:4:191041:223179,CONC(=O)c1cc(-c2cccc(C(=O)N3C4CCC3CC(S(C)(=O)=O)C4)c2)ccc1F,HZKJRKWEIRQKDV-UHFFFAOYSA-N
-rxn:4:191041:223572,CC1CCN(S(=O)(=O)c2ccc(-c3cccc(C(=O)N4C5CCC4CC(S(C)(=O)=O)C5)c3)c3ccccc23)CC1,BBDQYOSQTUNCPR-UHFFFAOYSA-N
-rxn:4:191042:226844,CC(C)(C)OC(=O)N1CC2(Cc3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3C2=O)C1,GTJKIZPAVUCIDR-UHFFFAOYSA-N
-rxn:4:191043:226844,COC(=O)[C@H]1CC[C@H](N2Cc3cc(-c4ccnc(C(=O)C(F)(F)F)c4)ccc3C2=O)CC1,DZVSPIHTAOOOBL-WJYNOGRTSA-N
-rxn:4:191055:222820,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc3c(c2)C2(CC2)CN(C(=O)OC(C)(C)C)C3)cc1F,OLXKTGCSMKWTQD-UHFFFAOYSA-N
-rxn:4:191057:225110,CC(C)(C)OC(=O)Oc1ccc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC32CC2)cc1,HNZCCAMJHHBMGW-UHFFFAOYSA-N
-rxn:4:191062:226844,CS(=O)(=O)C1CC2CCC(C1)N2S(=O)(=O)c1ccccc1-c1ccnc(C(=O)C(F)(F)F)c1,QVXPXEWCDVJWGM-UHFFFAOYSA-N
-rxn:4:191071:223175,CCS(=O)(=O)Nc1cccc(-c2ccc3c(c2)CN(CCC2=CCCCC2)C(=O)CO3)c1,YQBKUKIMWVDQPS-UHFFFAOYSA-N
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-rxn:4:191097:226844,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc21,WRVKSEZSBKDKDB-UHFFFAOYSA-N
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-rxn:4:191123:222498,Cc1ccc(S(=O)(=O)NCc2ccccc2)c(-c2cccc3c2C2(CC3)CCN(C(=O)OC(C)(C)C)CC2)c1,YGNALHBMRLRIMH-UHFFFAOYSA-N
-rxn:4:191125:226844,CC(C)(C)OC(=O)N1CCC2(CCc3cc(-c4ccnc(C(=O)C(F)(F)F)c4)ccc32)CC1,KCCCSZRSBLNWJN-UHFFFAOYSA-N
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-rxn:4:191195:224052,CCCc1ccc(-c2ccc(-c3cc4c(c5c3CCC5)N(C(=O)OC(C)(C)C)C(C)(C)C(=O)C4C)c(F)c2)cc1,GHXPPAQCLKOMDI-UHFFFAOYSA-N
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-rxn:4:191397:223529,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cc(F)c(F)c(CC#N)c3F)cc2F)CC1,BAYBZOSCPFOMTN-UHFFFAOYSA-N
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-rxn:4:193386:223994,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1ccc(S(=O)(=O)N2CCSCC2)c(F)c1,UWNGLRXECPRTEM-UHFFFAOYSA-N
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-rxn:4:193518:222607,CC1=CC(=O)C=CC1=NS(=O)(=O)c1ccc(-c2ccc(NC3CCN(S(C)(=O)=O)CC3)cc2)cc1,IYWTXIFGGUBDLN-UHFFFAOYSA-N
-rxn:4:193518:222628,CC1=CC(=O)C=CC1=NS(=O)(=O)c1ccc(-c2cc(C3CCC3)nc(C3CCCNC3)c2)cc1,DNTVZGOACAAWQQ-UHFFFAOYSA-N
-rxn:4:193518:222695,CC1=CC(=O)C=CC1=NS(=O)(=O)c1ccc(-c2ccc(C)c(S(=O)(=O)NC3CCCC3)c2)cc1,KPXYAWZDBRJGCY-UHFFFAOYSA-N
-rxn:4:193518:222845,CC1=CC(=O)C=CC1=NS(=O)(=O)c1ccc(-c2ccc(C(C)N3CCNCC3)cc2)cc1,JWKQONUNKDVHLK-UHFFFAOYSA-N
-rxn:4:193518:222887,CC1=CC(=O)C=CC1=NS(=O)(=O)c1ccc(-c2cccc(C(=O)N3CCNCC3)c2)cc1,VGVYECPUGGXMHI-UHFFFAOYSA-N
-rxn:4:193518:222920,CC1=CC(=O)C=CC1=NS(=O)(=O)c1ccc(-c2ccc(S(=O)(=O)NC3CC3)cc2C)cc1,OLPJEHHICXWXQW-UHFFFAOYSA-N
-rxn:4:193518:222923,CC1=CC(=O)C=CC1=NS(=O)(=O)c1ccc(-c2ccc(C)c(S(=O)(=O)NC3CC3)c2)cc1,QJLFMKZBYWZYRU-UHFFFAOYSA-N
-rxn:4:193518:222936,CCC(=O)NS(=O)(=O)c1ccc(-c2ccc(S(=O)(=O)N=C3C=CC(=O)C=C3C)cc2)cc1,WYDCVSVGWNOISV-UHFFFAOYSA-N
-rxn:4:193518:224325,CC1=CC(=O)C=CC1=NS(=O)(=O)c1ccc(-c2ccc(C3=CCN(S(C)(=O)=O)CC3)cc2)cc1,KELRXWBKYCGUSI-UHFFFAOYSA-N
-rxn:4:193518:224570,CC1=CC(=O)C=CC1=NS(=O)(=O)c1ccc(-c2ccc(C(C)N3CCN(C)CC3)cc2)cc1,FTXWPBUYQBDBCP-UHFFFAOYSA-N
-rxn:4:193518:224659,CC1=CC(=O)C=CC1=NS(=O)(=O)c1ccc(-c2cccc(C(=O)N3CCN(C)CC3)c2)cc1,GNCNWLGFIWHOQF-UHFFFAOYSA-N
-rxn:4:193518:224660,CC1=CC(=O)C=CC1=NS(=O)(=O)c1ccc(-c2ccc(C(=O)N3CCN(C)CC3)cc2)cc1,AYULROLHCAWDII-UHFFFAOYSA-N
-rxn:4:193518:224676,CC1=CC(=O)C=CC1=NS(=O)(=O)c1ccc(-c2ccccc2C(=O)N2CCN(C)CC2)cc1,JXZKUDAHZUEFFA-UHFFFAOYSA-N
-rxn:4:193518:224685,CC1=CC(=O)C=CC1=NS(=O)(=O)c1ccc(-c2cccc(C(=O)N3CCC(=O)CC3)c2)cc1,YLLHPZFPFYGWDP-UHFFFAOYSA-N
-rxn:4:193518:224971,CC1=CC(=O)C=CC1=NS(=O)(=O)c1ccc(-c2ccc(CN3CCN(C)CC3)cc2)cc1,LELYCIALNDXOGS-UHFFFAOYSA-N
-rxn:4:193518:224973,CC1=CC(=O)C=CC1=NS(=O)(=O)c1ccc(-c2cccc(CN3CCN(C)CC3)c2)cc1,YCNPERYHVKAZAK-UHFFFAOYSA-N
-rxn:4:193518:224974,CC1=CC(=O)C=CC1=NS(=O)(=O)c1ccc(-c2ccccc2CN2CCN(C)CC2)cc1,BCVLQGLSIJOOPS-UHFFFAOYSA-N
-rxn:4:193518:224992,CC1=CC(=O)C=CC1=NS(=O)(=O)c1ccc(-c2ccccc2CN2CCC(=O)CC2)cc1,LJGYUQWGFYJSGM-UHFFFAOYSA-N
-rxn:4:193518:225004,CC1=CC(=O)C=CC1=NS(=O)(=O)c1ccc(-c2ccc(CN3CCC(=O)CC3)cc2)cc1,WWQIUKVOCIZIBH-UHFFFAOYSA-N
-rxn:4:193518:225048,CC1=CC(=O)C=CC1=NS(=O)(=O)c1ccc(-c2ccc(N3CCN(C)CC3)cc2C)cc1,KATAMMSBNQVUDQ-UHFFFAOYSA-N
-rxn:4:193518:225189,CC1=CC(=O)C=CC1=NS(=O)(=O)c1ccc(-c2cccc(CN3C(=O)CCC3=O)c2)cc1,VZAHPOXTXCYNQS-UHFFFAOYSA-N
-rxn:4:193518:225213,CC1=CC(=O)C=CC1=NS(=O)(=O)c1ccc(-c2ccc(N3CCN(C)CC3)cc2Cl)cc1,BYRSTMMZWQRCOW-UHFFFAOYSA-N
-rxn:4:193518:225228,CC1=CC(=O)C=CC1=NS(=O)(=O)c1ccc(-c2ccc(N3CCN(C)CC3)cc2F)cc1,MVYRTPUTOXYBFV-UHFFFAOYSA-N
-rxn:4:193519:222589,O=C1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2ccc(OCCN3CCC(O)CC3)c(Cl)c2)CC1,YRWQLYMKNVDTEU-UHFFFAOYSA-N
-rxn:4:193543:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3ccc(CN4CCCCC4)c(F)c3)ccn2)CC1,AXSRKYBQMUYLFW-UHFFFAOYSA-N
-rxn:4:193648:222705,FC1(F)CCN(c2cc(-c3cc(C4CCNCC4)cc(C(F)(F)F)c3)cc(C(F)(F)F)c2)CC1,QZBUBQZGFJRQGQ-UHFFFAOYSA-N
-rxn:4:193651:224374,COc1ccc(S(=O)(=O)N2CCCC2)cc1-c1cc(S(=O)(=O)N2CCC(F)(F)CC2)c(F)cc1F,IGIBLKSLTCYWPJ-UHFFFAOYSA-N
-rxn:4:193689:224169,Cc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1cccc(OCCCN2CCOCC2)c1,PTAJBICWTNYMAI-UHFFFAOYSA-N
-rxn:4:193732:223567,CC(C)Oc1ccc2c(c1)cc(-c1ccc(C3(C#N)CCCCCC3)cc1)n2C(=O)OC(C)(C)C,YIVVECHTBFZXKM-UHFFFAOYSA-N
-rxn:4:193754:224249,CC1CCN(C(=O)c2cccc(-c3cc(C(=O)N4CCCC(C)C4)ccc3F)c2Cl)CC1,FWRPPDSSAZEURY-UHFFFAOYSA-N
-rxn:4:193781:222636,Cc1cc(-c2ccc([C@@H](C)NC(=O)OC(C)(C)C)cc2)ccc1C(=O)N1CCC(F)(F)CC1,BWSAIXRLZTVUOA-GOSISDBHSA-N
-rxn:4:193839:222537,O=S(=O)(c1cccc(-c2cc(C3CCCC3)nc(C3CCCNC3)c2)c1)N1CCCCCC1,RLJPEEGEVHFCEA-UHFFFAOYSA-N
-rxn:4:193886:224011,Cc1cc(S(=O)(=O)N2CCC(F)(F)CC2)ccc1-c1ccc(S(=O)(=O)N2CCN(C)CC2)c(F)c1,FDSZRGSSCCNUBO-UHFFFAOYSA-N
-rxn:4:193909:226181,O=C1C(=Cc2ccc(-c3ccc(C4=CCCCC4)nc3)o2)SC(=S)N1C1CCCCC1,PSKMCLQZKISNAZ-UHFFFAOYSA-N
-rxn:4:193909:226844,O=C1C(=Cc2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)o2)SC(=S)N1C1CCCCC1,ZJUMVVWEVQAYDI-UHFFFAOYSA-N
-rxn:4:193910:223279,O=C1C(=Cc2ccc(-c3cnc(C4CCCN4)nc3)cc2)SC(=S)N1C1CCS(=O)(=O)C1,JWXWYHBYQVCELU-UHFFFAOYSA-N
-rxn:4:193910:226833,O=C1C(=Cc2ccc(-c3ccc(OCC(F)(F)F)nc3)cc2)SC(=S)N1C1CCS(=O)(=O)C1,NNBCLQMIZFWXPF-UHFFFAOYSA-N
-rxn:4:193913:223576,CC(C)(C)OC(=O)N1CCC(Oc2cccc(-c3cc(C(C)(C)C)nc(C(C)(C)C)c3)c2)CC1,DJTMTIDZVAZRPV-UHFFFAOYSA-N
-rxn:4:193929:224327,CC1CCCN(S(=O)(=O)c2cccc(-c3ccc(C(C)(C)C4=NC(C)(C)CO4)cc3)c2)C1,CSUWQBQPPZLZIM-UHFFFAOYSA-N
-rxn:4:193933:222808,Cc1cc(C(=O)N2CCC(C)CC2)c(F)c(-c2cc(C(=O)NC(C)C)cc([N+](=O)[O-])c2)c1,QZYDLBXICFKKQK-UHFFFAOYSA-N
-rxn:4:193977:223179,CONC(=O)c1cc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC3(CC2)OCCO3)ccc1F,KFAMXMZBUZRTMH-UHFFFAOYSA-N
-rxn:4:194109:223504,COC(=O)c1ccc2c(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)c([N+](=O)[O-])c3)c[nH]c2c1,UDHZEJRIRMJEPD-UHFFFAOYSA-N
-rxn:4:194331:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3ccc(C(=O)N4CC5CC4CS5)o3)cc2)CC1,MZZAYVCSNMTAQP-UHFFFAOYSA-N
-rxn:4:194537:224010,COc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1ccc2c(c1)N(CC(C)C)C(=O)CO2,YKOCAGQGEUCZJS-UHFFFAOYSA-N
-rxn:4:194650:223480,Cc1cc(-c2ccc(S(=O)(=O)N3CCOCC3)c3ccccc23)cc(C)c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,PZEICXZCSREGOM-UHFFFAOYSA-N
-rxn:4:194686:223179,CONC(=O)c1cc(-c2ccc3c(c2)C(=O)CC32CCN(C(=O)C(F)(F)F)CC2)ccc1F,ZSXSOKODODSLEH-UHFFFAOYSA-N
-rxn:4:194733:226844,O=C(c1cc(-c2ccnc(C(=O)C(F)(F)F)c2)ccc1Cl)N1C2CCC1CC(=C1CC1)C2,KPBREIPWSBHFCJ-UHFFFAOYSA-N
-rxn:4:194750:222855,COc1cc(-c2ccccc2S(=O)(=O)N2C3CCC2CC(=C2CC2)C3)cc(C2CCCNC2)c1,GXUNIJCCJCTAAV-UHFFFAOYSA-N
-rxn:4:194750:226844,O=C(c1cc(-c2ccccc2S(=O)(=O)N2C3CCC2CC(=C2CC2)C3)ccn1)C(F)(F)F,MGRHZGLAJQQCFK-UHFFFAOYSA-N
-rxn:4:194755:223179,CONC(=O)c1cc(-c2cccc3c2CCCC3N2CCCC(C(F)(F)F)C2)ccc1F,SNNICVXRJIQKBF-UHFFFAOYSA-N
-rxn:4:194756:223179,CONC(=O)c1cc(-c2cccc3c2CCCC3N2CCC(C(F)(F)F)CC2)ccc1F,YWRLUVVNPRVBDR-UHFFFAOYSA-N
-rxn:4:194757:223179,CONC(=O)c1cc(-c2ccc3c(c2)CCCC3N2CCCC(C(F)(F)F)C2)ccc1F,NSTURPAZEREVQZ-UHFFFAOYSA-N
-rxn:4:194785:225357,CCOc1cc(-c2ccc(S(=O)(=O)N3CCC4(CC3)CC(=O)c3ccccc3O4)cc2)c(F)c(C(F)(F)F)c1,MIOFJSATYPGUEE-UHFFFAOYSA-N
-rxn:4:194790:223179,CONC(=O)c1cc(-c2ccc(C3OC4(C(=O)c5ccccc5C4=O)C4C(=O)N(c5ccccc5)C(=O)C34)cc2)ccc1F,QOXGRIWTVINXAL-UHFFFAOYSA-N
-rxn:4:194790:226844,O=C1C2C(c3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3)OC3(C(=O)c4ccccc4C3=O)C2C(=O)N1c1ccccc1,DHHIWHHPOREKEI-UHFFFAOYSA-N
-rxn:4:194792:223179,CONC(=O)c1cc(-c2ccc(C3OC4(C(=O)c5ccccc5C4=O)C4C(=O)N(c5ccc(Cl)cc5)C(=O)C34)cc2)ccc1F,FAOWPMMMOPZQBZ-UHFFFAOYSA-N
-rxn:4:194792:223279,O=C1C2C(c3ccc(-c4cnc(C5CCCN5)nc4)cc3)OC3(C(=O)c4ccccc4C3=O)C2C(=O)N1c1ccc(Cl)cc1,NPTVZGYNIBZVBE-UHFFFAOYSA-N
-rxn:4:194792:226844,O=C1C2C(c3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3)OC3(C(=O)c4ccccc4C3=O)C2C(=O)N1c1ccc(Cl)cc1,PEOGKXKZFFULQF-UHFFFAOYSA-N
-rxn:4:194793:226844,O=C1C2C(c3cccc(F)c3)OC3(C(=O)c4ccccc4C3=O)C2C(=O)N1c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1,CPJCUOXIIKYBLK-UHFFFAOYSA-N
-rxn:4:194794:226844,O=C1C2C(c3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3)OC3(C(=O)c4ccccc4C3=O)C2C(=O)N1c1ccc(F)cc1,YQVITZOQXBYZKR-UHFFFAOYSA-N
-rxn:4:194795:226844,O=C1C2C(c3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3)OC3(C(=O)c4ccccc4C3=O)C2C(=O)N1c1cccc(F)c1,VCLOMXOUFSJTDZ-UHFFFAOYSA-N
-rxn:4:194798:226844,Cc1ccc(C2OC3(C(=O)c4ccccc4C3=O)C3C(=O)N(c4ccc(-c5ccnc(C(=O)C(F)(F)F)c5)cc4)C(=O)C23)cc1,ZREQWZLMOJICKR-UHFFFAOYSA-N
-rxn:4:194799:223279,Cc1ccccc1C1OC2(C(=O)c3ccccc3C2=O)C2C(=O)N(c3ccc(-c4cnc(C5CCCN5)nc4)cc3)C(=O)C12,RXIYUQJTZKKOJV-UHFFFAOYSA-N
-rxn:4:194799:226844,Cc1ccccc1C1OC2(C(=O)c3ccccc3C2=O)C2C(=O)N(c3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3)C(=O)C12,GOMGTHLIYJEHOB-UHFFFAOYSA-N
-rxn:4:194853:224571,CC(C)N1CCN(c2ccc(-c3ccc4c(c3)c3c(n4CC4CCCCC4)CCCC3)cc2)CC1,NPVXUZJKVYYEJN-UHFFFAOYSA-N
-rxn:4:194882:223491,CC(C)(C)OC(=O)N1CCN(c2cc(-c3nc(C(F)(F)F)co3)cc(C(F)(F)F)c2)CC1,QKHFWXYJNBDIBV-UHFFFAOYSA-N
-rxn:4:195782:223480,Cc1cc(-c2cnccc2C2CC2)cc(C)c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,DQVKBOPBMSTUFU-UHFFFAOYSA-N
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-rxn:4:199868:224194,CCN1CCN(Cc2ccc(-c3ccc(C4=NC5(CCCC5)N(C(=O)c5cc(OC)c(OC)c(OC)c5)C4=S)cc3)cc2Cl)CC1,JBEJDXZUAJRNRM-UHFFFAOYSA-N
-rxn:4:199869:223179,CCCOc1ccc(-c2ccc(F)c(C(=O)NOC)c2)cc1S(=O)(=O)N1CCN(c2cccc(C)c2C)CC1,LOARBCUYAMTUPV-UHFFFAOYSA-N
-rxn:4:199869:223279,CCCOc1ccc(-c2cnc(C3CCCN3)nc2)cc1S(=O)(=O)N1CCN(c2cccc(C)c2C)CC1,STIFLOWQHHVAFE-UHFFFAOYSA-N
-rxn:4:199870:223179,CCCOc1cc(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)ccc1-c1ccc(F)c(C(=O)NOC)c1,WOOKYNUUTFXTMK-UHFFFAOYSA-N
-rxn:4:199870:223279,CCCOc1cc(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)ccc1-c1cnc(C2CCCN2)nc1,DKFXBLRXUVYESB-UHFFFAOYSA-N
-rxn:4:199873:223179,CONC(=O)c1cc(-c2ccc(C3CCCN3C(=O)C3CCN(C(=O)OC(C)(C)C)CC3)cc2)ccc1F,UYTDKVUVMYRBDA-UHFFFAOYSA-N
-rxn:4:199873:226844,CC(C)(C)OC(=O)N1CCC(C(=O)N2CCCC2c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2)CC1,XEWGSHWSJNYTFL-UHFFFAOYSA-N
-rxn:4:199874:224002,CC(C)(C)OC(=O)N1CCCC(C(=O)N2CCCC2c2ccc(-c3cnc(-c4ccccc4C(F)(F)F)c(Cl)c3)cc2)C1,DDQJITYETCOCOP-UHFFFAOYSA-N
-rxn:4:199874:226844,CC(C)(C)OC(=O)N1CCCC(C(=O)N2CCCC2c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2)C1,GAIZQQUGOYCCBZ-UHFFFAOYSA-N
-rxn:4:199878:223724,CCCC(C)Oc1ccc(-c2ccc(-c3cc(CN4CCN(C(=O)OC(C)(C)C)C(C)C4)cc(C(C)(C)C)c3)cc2)cc1,YJSPHIJGIKKQAH-UHFFFAOYSA-N
-rxn:4:199881:223279,COc1cc(C(=O)N2C(=S)C(c3ccc(-c4cnc(C5CCCN5)nc4)cc3)=NC23CCCCCC3)cc(OC)c1OC,LBOANXRCNGAGOU-UHFFFAOYSA-N
-rxn:4:199883:223179,CONC(=O)c1cc(-c2ccc(C(=O)C3CCN(C4(C)CCN(C(=O)OC(C)(C)C)CC4)CC3)cc2)ccc1F,MICVOJZQFOBKEX-UHFFFAOYSA-N
-rxn:4:199883:224004,CC(C)(C)OC(=O)N1CCC(C)(N2CCC(C(=O)c3ccc(-c4cnc(Cl)c(-c5ccc(C(F)(F)F)cc5)c4)cc3)CC2)CC1,CMYVEUMLRPADIB-UHFFFAOYSA-N
-rxn:4:199883:226844,CC(C)(C)OC(=O)N1CCC(C)(N2CCC(C(=O)c3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3)CC2)CC1,IMFDPLXHCMOENJ-UHFFFAOYSA-N
-rxn:4:199958:226844,COC(=O)CC1CCN(C(=O)Cn2ccc3cc(-c4ccnc(C(=O)C(F)(F)F)c4)ccc32)CC1,XBZKQVLGDNAJMX-UHFFFAOYSA-N
-rxn:4:199961:225313,CCCCOC(=O)c1cc(N2CCOCC2)c2cc(-c3ccc(N4CCN(C)CC4)nc3F)ccc2n1,NRNAEQKQCMYCOR-UHFFFAOYSA-N
-rxn:4:199965:223781,CCOCCCN1C(=O)C(=C2C(=O)N(CC)c3ccc(-c4ccc5ccn(S(=O)(=O)c6ccccc6)c5c4)cc32)SC1=S,BWQRTBJBPCAAAN-UHFFFAOYSA-N
-rxn:4:200005:224285,CC(=O)c1c(C)oc2ccc(N(C(=O)c3ccncc3)S(=O)(=O)c3ccc(-c4ccc(OCCN5CCOCC5)cc4F)cc3)cc12,KLCFEFYTTGGOKD-UHFFFAOYSA-N
-rxn:4:200016:223179,CONC(=O)c1cc(-c2ccc(CN3CCc4c(OCC(=O)N5CCCC5)cccc4C3=O)cc2)ccc1F,AQMPVFMGWAULSZ-UHFFFAOYSA-N
-rxn:4:200016:224803,CC(C)Oc1ccc(OC(F)(F)F)c(-c2ccc(CN3CCc4c(OCC(=O)N5CCCC5)cccc4C3=O)cc2)c1,OLMWRHYKDRMSES-UHFFFAOYSA-N
-rxn:4:200018:223279,CCCCN1C(=O)C(=C2SC(=S)N(CCc3ccccc3)C2=O)c2cc(-c3cnc(C4CCCN4)nc3)ccc21,QMHHNGMHOMGVCT-UHFFFAOYSA-N
-rxn:4:200018:225205,CCCCN1C(=O)C(=C2SC(=S)N(CCc3ccccc3)C2=O)c2cc(-c3cc(C4CC4)c(C(F)(F)F)cc3C)ccc21,NNAYUVSJHYNDPP-UHFFFAOYSA-N
-rxn:4:200018:225331,CCCCN1C(=O)C(=C2SC(=S)N(CCc3ccccc3)C2=O)c2cc(-c3cc(OCC)cc(OC(F)(F)F)c3)ccc21,LKSODBBUYUTKEP-UHFFFAOYSA-N
-rxn:4:200023:226844,O=C(COc1cccc2c1CCN(Cc1ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc1)C2=O)N1CCOCC1,GZTIATTYFWPAFP-UHFFFAOYSA-N
-rxn:4:200026:223179,CONC(=O)c1cc(-c2ccc(CC3SC4=NC(C)=C(C(=O)OC)C(c5ccc(OC)cc5)N4C3=O)cc2)ccc1F,PESGTAMSLPXFEM-UHFFFAOYSA-N
-rxn:4:200026:223279,COC(=O)C1=C(C)N=C2SC(Cc3ccc(-c4cnc(C5CCCN5)nc4)cc3)C(=O)N2C1c1ccc(OC)cc1,YFXDQEWQAGTOPH-UHFFFAOYSA-N
-rxn:4:200039:223828,CCN1CCN(c2cc(-c3ccc(OC)c(CCC(=O)N4CCC(N5CCc6ccccc6C5)C4)c3)cc(C(F)(F)F)c2)CC1,DJCLMRMYKWWJSS-UHFFFAOYSA-N
-rxn:4:200039:226844,COc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1CCC(=O)N1CCC(N2CCc3ccccc3C2)C1,SLRURLYAEWJMOF-UHFFFAOYSA-N
-rxn:4:200040:223179,CONC(=O)c1cc(-c2ccc(CS(=O)(=O)c3cn(CC(=O)N4CCCCCC4)c4ccccc34)cc2)ccc1F,FUGRTJVGQOBHMC-UHFFFAOYSA-N
-rxn:4:200046:226844,O=C(COc1cccc2c1CCN(Cc1ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc1)C2=O)N1CCCCCC1,FUTATNRXOXVKAL-UHFFFAOYSA-N
-rxn:4:200055:226844,O=C(OCCN1C(=O)c2cccc3c(N4CCOCC4)ccc(c23)C1=O)c1ccccc1-c1ccnc(C(=O)C(F)(F)F)c1,CRLZWSBFBKCGKG-UHFFFAOYSA-N
-rxn:4:200056:223279,O=C(OCCN1C(=O)c2cccc3c(N4CCOCC4)ccc(c23)C1=O)c1cccc(-c2cnc(C3CCCN3)nc2)c1,BXGHUAIDEQFLOC-UHFFFAOYSA-N
-rxn:4:200057:222465,O=C(OCCN1C(=O)c2cccc3c(N4CCOCC4)ccc(c23)C1=O)c1ccc(-c2cc(C3CCCCC3)nc(C3CCCNC3)c2)cc1,YIZIWFSWVNVQBT-UHFFFAOYSA-N
-rxn:4:200057:223179,CONC(=O)c1cc(-c2ccc(C(=O)OCCN3C(=O)c4cccc5c(N6CCOCC6)ccc(c45)C3=O)cc2)ccc1F,ILMSVLDSLWGKSS-UHFFFAOYSA-N
-rxn:4:200057:223279,O=C(OCCN1C(=O)c2cccc3c(N4CCOCC4)ccc(c23)C1=O)c1ccc(-c2cnc(C3CCCN3)nc2)cc1,CXWGJGFGTCPPLY-UHFFFAOYSA-N
-rxn:4:200063:226844,O=C(OCCN1C(=O)c2cccc3c(N4CCCCC4)ccc(c23)C1=O)c1ccccc1-c1ccnc(C(=O)C(F)(F)F)c1,ITFWCRLYKKDUPZ-UHFFFAOYSA-N
-rxn:4:200064:226844,O=C(OCCN1C(=O)c2cccc3c(N4CCCCC4)ccc(c23)C1=O)c1cccc(-c2ccnc(C(=O)C(F)(F)F)c2)c1,SBWRYTSBKPMCEC-UHFFFAOYSA-N
-rxn:4:200065:223179,CONC(=O)c1cc(-c2ccc(C(=O)OCCN3C(=O)c4cccc5c(N6CCCCC6)ccc(c45)C3=O)cc2)ccc1F,JKRUNQVNFCYMJK-UHFFFAOYSA-N
-rxn:4:200113:224404,CCOC(=O)c1cc([N+](=O)[O-])c(C#N)cc1-c1ccc(S(=O)(=O)N2CCOCC2)c(F)c1,BLMQNVORKXXRDU-UHFFFAOYSA-N
-rxn:4:200308:224267,O=C(C1CC1)N1CCN=C1SCc1ccc(-c2cccc(N3CCC4(CC3)OCCO4)c2)cc1,XDJPPKAZBPWDSP-UHFFFAOYSA-N
-rxn:4:200309:224810,CCS(=O)(=O)N1CCN=C1SCc1ccc(-c2cnc(N3CCCC3)c(C(F)(F)F)c2)cc1,ICFBGMNNJAVQIH-UHFFFAOYSA-N
-rxn:4:200313:223755,CCOC(=O)c1nn(-c2cccc(-c3ccc(OCCCN4CCC(C)CC4)c(F)c3)c2)c(=O)cc1OC,RSLLVPXILBRHTJ-UHFFFAOYSA-N
-rxn:4:200324:223096,CC(=O)Nc1ccc([N+](=O)[O-])c(-c2cc([N+](=O)[O-])ccc2OCC(=O)N2CCCCC2)c1,YCRGKIDAICWEAV-UHFFFAOYSA-N
-rxn:4:200331:222828,CC(C)(C)OC(=O)N1CC(Oc2ccc(-c3cc(F)c(F)cc3S(=O)(=O)NC3CC3)nc2)C1,APVDFFDMSYACIM-UHFFFAOYSA-N
-rxn:4:200372:223179,CONC(=O)c1cc(-c2ccccc2CCC(=O)N2CC(N3C(=O)CSC3=O)C2)ccc1F,NCSTWRONXKXUSF-UHFFFAOYSA-N
-rxn:4:200372:226844,O=C(CCc1ccccc1-c1ccnc(C(=O)C(F)(F)F)c1)N1CC(N2C(=O)CSC2=O)C1,QVNVVWGRQPJHLH-UHFFFAOYSA-N
-rxn:4:200384:226844,O=C(CCc1ccccc1-c1ccnc(C(=O)C(F)(F)F)c1)N1CC(N2C(=O)COC2=O)C1,HUXKSLBGFVOWRI-UHFFFAOYSA-N
-rxn:4:200385:223279,O=C(Cc1ccc(F)cc1-c1cnc(C2CCCN2)nc1)N1CCN(CC(F)(F)F)CC1,POOTVMWHDBVQEG-UHFFFAOYSA-N
-rxn:4:200385:226844,O=C(Cc1ccc(F)cc1-c1ccnc(C(=O)C(F)(F)F)c1)N1CCN(CC(F)(F)F)CC1,LNNDICMCDIOJPO-UHFFFAOYSA-N
-rxn:4:200386:223279,O=C(Cc1ccc(-c2cnc(C3CCCN3)nc2)cc1)N1CC(CN2C(=O)COC2=O)C1,XJGAYODAIOVSEY-UHFFFAOYSA-N
-rxn:4:200392:223534,CC(C)(C)OC(=O)N1CCC(Oc2cc(-c3ccccc3C(=O)N3CCN=C3SCc3ccc(F)cc3)c(F)cn2)CC1,LKAJEVLGICARNG-UHFFFAOYSA-N
-rxn:4:200424:222513,COC(=O)CCN1CCN(c2ccc(-c3cc(S(=O)(=O)NC4CCCCC4)ccc3OC)cc2)CC1,OQEOYBRPCVCJGR-UHFFFAOYSA-N
-rxn:4:200439:223179,CONC(=O)c1cc(-c2cc(CCN3CCN(CC(F)(F)F)CC3)ccc2F)ccc1F,UWWLLOITSWVWMF-UHFFFAOYSA-N
-rxn:4:200440:226844,CCN1CCN(C(=O)c2cc(OC(F)(F)F)cc(-c3ccnc(C(=O)C(F)(F)F)c3)c2)CC1,XHIUUNGMALZJJQ-UHFFFAOYSA-N
-rxn:4:200441:224751,CCOC(=O)c1nc(N2CCC(C(F)(F)F)CC2)ccc1-c1ccc(F)c(C(=O)N2CCOCC2)c1,WHXMXZRRWIRJEI-UHFFFAOYSA-N
-rxn:4:200443:226844,COc1c(Cl)cc(C(=O)N2CCN(CC(F)(F)F)CC2)cc1-c1ccnc(C(=O)C(F)(F)F)c1,KPTNNOKWWOEBNO-UHFFFAOYSA-N
-rxn:4:200445:222537,O=S(=O)(c1ccc(-c2cc(C3CCCC3)nc(C3CCCNC3)c2)cc1)N1CCN=C1SCc1ccccc1,UXPGNQSNGGRLGH-UHFFFAOYSA-N
-rxn:4:200462:224768,CCN1CCN(CCOc2cccc(-c3cc(F)c(C(=O)N4CCCC4)c(F)c3)c2)CC1,PJCJBFNRZUSCGR-UHFFFAOYSA-N
-rxn:4:200470:223093,CC1CCCCN1CCOc1ccc([N+](=O)[O-])cc1-c1cncc(NS(=O)(=O)C(C)C)c1,DUWZSRXEGOUALO-UHFFFAOYSA-N
-rxn:4:200472:225278,COC(=O)c1ccc(C(=O)OC)c(-c2cc([N+](=O)[O-])ccc2OCCN2CCC(C)CC2)c1,QQGKPWSBKXVORN-UHFFFAOYSA-N
-rxn:4:200476:222912,CC(C)CNS(=O)(=O)c1ccc(-c2ccc(O[C@H]3CCN(C(=O)OC(C)(C)C)C3)nc2)cc1,LRIZGCMNLSMIAW-FQEVSTJZSA-N
-rxn:4:200492:226844,O=C(CCc1ccccc1-c1ccnc(C(=O)C(F)(F)F)c1)N1CC(N2C(=O)CCC2=O)C1,QWPISPJSYVLVCM-UHFFFAOYSA-N
-rxn:4:200493:223179,CONC(=O)c1cc(-c2ccc(CC(=O)N3CC(CN4C(=O)CCC4=O)C3)cc2)ccc1F,JLPVTWLUPHJYTM-UHFFFAOYSA-N
-rxn:4:200515:226844,O=C(C1CCCC1)N1CCN=C1SCc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1,ZUQVUOLTORCCQJ-UHFFFAOYSA-N
-rxn:4:200518:223179,CCN1CCN(C(=O)c2cc(C(=O)OC)cc(-c3ccc(F)c(C(=O)NOC)c3)c2)CC1,VUJRUJSTWUXLDX-UHFFFAOYSA-N
-rxn:4:200535:222610,CC(C)(C)OC(=O)Nc1cc(-c2cccnc2OC2CCN(S(=O)(=O)Cc3ccccc3)C2)cc([N+](=O)[O-])c1,BMTHNLLCPVMOCV-UHFFFAOYSA-N
-rxn:4:200535:224250,CC1CCCCN1C(=O)c1ccc(F)c(-c2cccnc2OC2CCN(S(=O)(=O)Cc3ccccc3)C2)c1,PZOVQCSEQSMFBE-UHFFFAOYSA-N
-rxn:4:200554:224746,CCCCCN1CCN(c2ccc(-c3ccc(N4CCN(C(C)=O)CC4)nc3)cc2)CC1,ZQJXQSMGUMITCD-UHFFFAOYSA-N
-rxn:4:200559:223179,CONC(=O)c1cc(-c2coc(CN3CCN(C(=O)OC(C)(C)C)CC3)c2)ccc1F,PXDFGTUMQFQKRC-UHFFFAOYSA-N
-rxn:4:200559:226844,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3ccnc(C(=O)C(F)(F)F)c3)co2)CC1,VMNYOFJHBHRBLH-UHFFFAOYSA-N
-rxn:4:200560:223179,CONC(=O)c1cc(-c2ccoc2CN2CCN(C(=O)OC(C)(C)C)CC2)ccc1F,RJJWIXQPQGTAKV-UHFFFAOYSA-N
-rxn:4:200560:226844,CC(C)(C)OC(=O)N1CCN(Cc2occc2-c2ccnc(C(=O)C(F)(F)F)c2)CC1,RNKHIBIDNFCQQL-UHFFFAOYSA-N
-rxn:4:200561:224252,CCN1CCN(Cc2ccc(-c3ccc(C(=O)N4CCCC(C)C4)c(F)c3)cc2C(=O)OC)CC1,DHDCCNNZHKVPBZ-UHFFFAOYSA-N
-rxn:4:200564:226107,Cc1cc(OCC2CC2)cc(-c2cccc(C(=O)N3CCC(CSC4=NCCS4)CC3)c2)c1,QESAUJKWLXFBKE-UHFFFAOYSA-N
-rxn:4:200564:226844,O=C(c1cccc(-c2ccnc(C(=O)C(F)(F)F)c2)c1)N1CCC(CSC2=NCCS2)CC1,RVSSCLGANUTPSX-UHFFFAOYSA-N
-rxn:4:200573:223279,O=C(c1cc(-c2cnc(C3CCCN3)nc2)ccc1Cl)N1CCC(CSC2=NCCS2)CC1,UUTTUGWYFTXWKT-UHFFFAOYSA-N
-rxn:4:200574:226844,CC(C)N1CCN(C(=O)c2cc(OC(F)(F)F)cc(-c3ccnc(C(=O)C(F)(F)F)c3)c2)CC1,NRQXGHBHCHDEAS-UHFFFAOYSA-N
-rxn:4:200575:225254,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3ccc(C(F)(F)F)c4cccnc34)c(C(F)(F)F)n2)C1,OKIUBWBPNWSBKO-UHFFFAOYSA-N
-rxn:4:200575:225593,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3cc(F)cc(CN4CCCC4)c3)c(C(F)(F)F)n2)C1,BWGUUADMVWIXCD-UHFFFAOYSA-N
-rxn:4:200595:226844,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)nc2)CC1,UEPANAAMCDMUMK-UHFFFAOYSA-N
-rxn:4:200597:226844,CC(C)(C)OC(=O)N1CCCC(Oc2cccc(-c3ccnc(C(=O)C(F)(F)F)c3)n2)C1,OPGFNTCWGHKGNQ-UHFFFAOYSA-N
-rxn:4:200601:223945,CC(C)(C)N(C(=O)c1ccc(-c2ccc(OCCCN3CCOCC3)c(F)c2)o1)C(=O)N1CCCCC1,OOVGBMFXSIZUBX-UHFFFAOYSA-N
-rxn:4:200601:226844,CC(C)(C)N(C(=O)c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)o1)C(=O)N1CCCCC1,URSHFLYSVCUUOC-UHFFFAOYSA-N
-rxn:4:200603:223179,CONC(=O)c1cc(-c2cncc(OC3CCN(C(=O)OC(C)(C)C)CC3)c2)ccc1F,YNGTUMYWMABSMK-UHFFFAOYSA-N
-rxn:4:200603:226844,CC(C)(C)OC(=O)N1CCC(Oc2cncc(-c3ccnc(C(=O)C(F)(F)F)c3)c2)CC1,FGDHWEAHYZGJHY-UHFFFAOYSA-N
-rxn:4:200608:226844,COc1ncc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1C1CCN(C(=O)OC(C)(C)C)C1,IWEUEFSPUUMYLU-UHFFFAOYSA-N
-rxn:4:200610:226844,CC(C)(C)OC(=O)N1CCC(Oc2ncc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2F)CC1,FHRSQDVRYHBUMK-UHFFFAOYSA-N
-rxn:4:200611:225975,CC(C)(C)OC(=O)N1CCCC(Oc2ncc(-c3ccnc(N4CCOCC4)c3Cl)cc2F)C1,WBQGQLKZMNUQLI-UHFFFAOYSA-N
-rxn:4:200631:223179,CONC(=O)c1cc(-c2cccc(C=C3SC(=S)N(CCC(=O)N4CCOCC4)C3=O)c2)ccc1F,ZBDWQEGERCWWIY-UHFFFAOYSA-N
-rxn:4:200631:226844,O=C(CCN1C(=O)C(=Cc2cccc(-c3ccnc(C(=O)C(F)(F)F)c3)c2)SC1=S)N1CCOCC1,MYUGPTJGCYFBQD-UHFFFAOYSA-N
-rxn:4:200638:225755,COC(=O)c1cc(-c2ccccc2C(=O)N2CCC(Oc3ccc(C(F)(F)F)cn3)CC2)cc(C2CC2)n1,VIIIVVSERFEGEF-UHFFFAOYSA-N
-rxn:4:200639:225286,CC(C)(C)OC(=O)c1cnc(F)cc1-c1cccnc1OC1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1,MHQKVIKNYRXAKW-UHFFFAOYSA-N
-rxn:4:200643:223179,CONC(=O)c1cc(-c2ccc(C(=O)C3CCN(C(=O)OC(C)(C)C)CC3)cn2)ccc1F,PAIYRFREPFFEOF-UHFFFAOYSA-N
-rxn:4:200643:224686,CC(C)(C)OC(=O)N1CCC(C(=O)c2ccc(-c3ccc(C(=O)N4CCCCC4)cc3F)nc2)CC1,KMTBYTDDZVHFRN-UHFFFAOYSA-N
-rxn:4:200643:226522,CCOC(=O)c1cc(-c2ccc(C(=O)C3CCN(C(=O)OC(C)(C)C)CC3)cn2)ccc1F,DARFDXTUVJZZFF-UHFFFAOYSA-N
-rxn:4:200644:223179,CCN1CCN(S(=O)(=O)c2cc(OC)c(-c3ccc(F)c(C(=O)NOC)c3)cc2OC)CC1,DCQUKLLNVWMHGH-UHFFFAOYSA-N
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-rxn:4:200646:226844,CC(C)CS(=O)(=O)C1CCN(C(=O)c2cncc(-c3ccnc(C(=O)C(F)(F)F)c3)c2)CC1,LPWINKBSTSIUGG-UHFFFAOYSA-N
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-rxn:4:200650:226844,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccccc2-c2ccnc(C(=O)C(F)(F)F)c2)CC1,TVZOJDITGOBLIQ-UHFFFAOYSA-N
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-rxn:4:200662:226844,O=C(CCc1ccccc1-c1ccnc(C(=O)C(F)(F)F)c1)N1CCC(N2C(=O)CSC2=O)CC1,AYTOLEIQCOSYIK-UHFFFAOYSA-N
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-rxn:4:200713:226844,CC(C)(C)OC(=O)N1CCN(Cc2cccc(-c3ccnc(C(=O)C(F)(F)F)c3)c2F)CC1,YWVVYSUCFWEKSN-UHFFFAOYSA-N
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-rxn:4:200721:222849,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cccc(-c3ccc(C4CCNCC4)c(C#N)c3)c2)CC1,DJSCQWPXBOHNEP-UHFFFAOYSA-N
-rxn:4:200721:222972,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cccc(-c3ccccc3NC(=O)C(C)(C)C)c2)CC1,RJGKEVNCKBXGED-UHFFFAOYSA-N
-rxn:4:200722:226062,CC(C)c1cc(-c2ccc(S(=O)(=O)C3CCN(C(=O)OC(C)(C)C)CC3)nc2)cc(C(C)C)c1,KPHFIQUVVGFYNE-UHFFFAOYSA-N
-rxn:4:200722:226768,CSc1ccc(-c2ccc(S(=O)(=O)C3CCN(C(=O)OC(C)(C)C)CC3)nc2)cc1C(F)(F)F,NDLDRAXKGZOUDU-UHFFFAOYSA-N
-rxn:4:200722:226844,CC(C)(C)OC(=O)N1CCC(S(=O)(=O)c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cn2)CC1,AZRKMFDWFIZWFC-UHFFFAOYSA-N
-rxn:4:200725:225554,CC(C)(C)OC(=O)N1CCN(c2cc(-c3ccc(OC(C)(C)C)c(C#N)c3)cc(C(F)(F)F)c2)CC1,GSIUGDRJKAANMW-UHFFFAOYSA-N
-rxn:4:200726:226552,CCCOc1c(F)cc(-c2cc(C(F)(F)F)ccc2N2CCN(C(=O)OC(C)(C)C)CC2)cc1Cl,GZPSPWKHWJOOFP-UHFFFAOYSA-N
-rxn:4:200726:226844,CC(C)(C)OC(=O)N1CCN(c2ccc(C(F)(F)F)cc2-c2ccnc(C(=O)C(F)(F)F)c2)CC1,HZQGVKJHLSPRQF-UHFFFAOYSA-N
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-rxn:4:200734:223179,CONC(=O)c1cc(-c2ccc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cc2F)ccc1F,KLCFCAYAZKIJJB-UHFFFAOYSA-N
-rxn:4:200734:223279,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(-c3cnc(C4CCCN4)nc3)c(F)c2)CC1,YSGYSNZGZVPKCA-UHFFFAOYSA-N
-rxn:4:200735:223279,CC(C)(C)OC(=O)c1nc(N2CCC(C(F)(F)F)CC2)ccc1-c1cnc(C2CCCN2)nc1,CJFLGKOQOHVSCQ-UHFFFAOYSA-N
-rxn:4:200740:223279,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cc(-c3cnc(C4CCCN4)nc3)c(F)cc2F)CC1,OPOLWSILMYOHTC-UHFFFAOYSA-N
-rxn:4:200740:226844,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cc(-c3ccnc(C(=O)C(F)(F)F)c3)c(F)cc2F)CC1,NSMSDUDWHAYVMZ-UHFFFAOYSA-N
-rxn:4:200744:222694,COc1ccc(C)cc1S(=O)(=O)N1CCC(Oc2ncccc2-c2cccc(S(=O)(=O)NC3CCCCC3)c2)C1,GITXSARERXDXQZ-UHFFFAOYSA-N
-rxn:4:200749:226844,O=C(c1cc(-c2ccc(S(=O)(=O)ON=C3CCN(S(=O)(=O)c4ccccc4)CC3)cc2)ccn1)C(F)(F)F,ADALPRVOALCCMN-UHFFFAOYSA-N
-rxn:4:200755:223883,COc1cc(-c2ccc3c(c2)CCCN3C(=O)OC(C)(C)C)cc(C2CCCN(C(=O)OC(C)(C)C)C2)n1,IJTNWBRCLHYMJO-UHFFFAOYSA-N
-rxn:4:200762:223179,CONC(=O)c1cc(-c2ccc(CN3CC4(C3)CN(C(=O)OC(C)(C)C)C4)cc2)ccc1F,GSGPPSCESBJPFF-UHFFFAOYSA-N
-rxn:4:200762:226844,CC(C)(C)OC(=O)N1CC2(CN(Cc3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3)C2)C1,JCGKGFWYRFYRRH-UHFFFAOYSA-N
-rxn:4:200764:226844,CC(C)(C)OC(=O)N1CC2(CN(Cc3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3F)C2)C1,LWKXWDRITLHUCT-UHFFFAOYSA-N
-rxn:4:200771:224847,Cc1cc(OCC2CCCN(C(=O)c3ccc(-c4cc(C(C)(C)C)ccc4C(C)(C)C)cc3F)C2)ccn1,NAFNEVWKECZQQX-UHFFFAOYSA-N
-rxn:4:200774:225827,COc1cccc(C2CC(c3ccc(-c4ccnc(N5CCN(C)CC5)c4)cc3)=NN2S(C)(=O)=O)c1OC,CUNHLVDTJQDAGC-UHFFFAOYSA-N
-rxn:4:200782:223179,CONC(=O)c1cc(-c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)[C@@H](C)C3)cc2)ccc1F,XGMDAILMJAVLCT-INIZCTEOSA-N
-rxn:4:200783:227045,Cc1cc(-c2cccc(SC(C)(C)C)c2)ccc1C1(C#N)CCN(C(=O)OC(C)(C)C)CC1,GKQSCWDUYHSPLY-UHFFFAOYSA-N
-rxn:4:200787:223279,C[C@H]1CN(C(=O)c2ccc(-c3cnc(C4CCCN4)nc3)c(Cl)c2)CCN1C(=O)OC(C)(C)C,NBWIVMCUXDCXKV-BJQOMGFOSA-N
-rxn:4:200787:226844,C[C@H]1CN(C(=O)c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)c(Cl)c2)CCN1C(=O)OC(C)(C)C,QCYXYMCHWVBPCB-AWEZNQCLSA-N
-rxn:4:200788:223774,COc1cccc2c1cc(-c1cc(F)cc(-c3cnc(OC(C)(C)C)nc3OC(C)(C)C)c1)n2C(=O)OC(C)(C)C,CXVYKRPVUVIGJX-UHFFFAOYSA-N
-rxn:4:200789:226844,CC1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)c(F)c1,AGSQFEUIFZXAKT-UHFFFAOYSA-N
-rxn:4:200790:226844,C[C@@H]1CN(C(=O)c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)c(F)c2)CCN1C(=O)OC(C)(C)C,PSHQRVHTRYRGDK-CQSZACIVSA-N
-rxn:4:200791:223279,C[C@H]1CN(C(=O)c2ccc(F)c(-c3cnc(C4CCCN4)nc3)c2)CCN1C(=O)OC(C)(C)C,YSTHQFJQBQIVHH-BJQOMGFOSA-N
-rxn:4:200791:226844,C[C@H]1CN(C(=O)c2ccc(F)c(-c3ccnc(C(=O)C(F)(F)F)c3)c2)CCN1C(=O)OC(C)(C)C,YNKJSYKXJBTYIC-AWEZNQCLSA-N
-rxn:4:200794:224753,Cc1ccc(S(=O)(=O)N2CCCC2)cc1-c1ccc(S(=O)(=O)N2CCN(CC=Cc3ccccc3)CC2)cc1,UHTNSCXVPJDQEL-UHFFFAOYSA-N
-rxn:4:200799:226844,O=C(CCc1ccccc1-c1ccnc(C(=O)C(F)(F)F)c1)N1CCC(N2C(=O)COCC2=O)CC1,RULLRHZDUJBPPR-UHFFFAOYSA-N
-rxn:4:200800:225273,CCCOc1cc(C(F)(F)F)ccc1-c1ccccc1S(=O)(=O)N1CCC(COc2ccnc(C)c2)CC1,KTVHQCIAROJEDH-UHFFFAOYSA-N
-rxn:4:200801:225220,Cc1cnccc1OCC1CCN(S(=O)(=O)c2ccccc2-c2cnc(N3CCCCC3C)c(Cl)c2)CC1,VQTYBUWPEZROEY-UHFFFAOYSA-N
-rxn:4:200801:225227,Cc1cnccc1OCC1CCN(S(=O)(=O)c2ccccc2-c2cnc(N3CCC(C)CC3)c(Cl)c2)CC1,WQFUHZNARGYBMS-UHFFFAOYSA-N
-rxn:4:200803:224686,CCOc1ccc(-c2ccc(C(=O)N3CCCCC3)cc2F)cc1S(=O)(=O)N1CCN(c2ccc(F)cc2)CC1,JTDBJDQXDHYDLQ-UHFFFAOYSA-N
-rxn:4:200812:223179,CONC(=O)c1cc(-c2ccccc2CCC(=O)N2CCCN(C3CCC3)CC2)ccc1F,YZCFCBWJMZJKLO-UHFFFAOYSA-N
-rxn:4:200812:223279,O=C(CCc1ccccc1-c1cnc(C2CCCN2)nc1)N1CCCN(C2CCC2)CC1,RVAONMXMCRAXBD-UHFFFAOYSA-N
-rxn:4:200812:226844,O=C(CCc1ccccc1-c1ccnc(C(=O)C(F)(F)F)c1)N1CCCN(C2CCC2)CC1,KNGWBDVFGXQCPX-UHFFFAOYSA-N
-rxn:4:200813:223279,CC(c1ccc(-c2cnc(C3CCCN3)nc2)cc1)N1CCN(C(=O)OC(C)(C)C)CC1,DGYPRJUWDNFZMY-UHFFFAOYSA-N
-rxn:4:200814:223279,Cc1cc(-c2cnc(C3CCCN3)nc2)ccc1CN1CCN(C(=O)OC(C)(C)C)CC1,RAXAZLNYMDZDSC-UHFFFAOYSA-N
-rxn:4:200815:223279,CC(c1cccc(-c2cnc(C3CCCN3)nc2)c1)N1CCN(C(=O)OC(C)(C)C)CC1,PWNYPTNTTDMEEH-UHFFFAOYSA-N
-rxn:4:200816:223179,CONC(=O)c1cc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)[C@H](C)C3)cc2)ccc1F,AOLAJFWNLPBHDJ-QGZVFWFLSA-N
-rxn:4:200817:223279,CC(c1ccccc1-c1cnc(C2CCCN2)nc1)N1CCN(C(=O)OC(C)(C)C)CC1,DRNUMKYBLNZZDR-UHFFFAOYSA-N
-rxn:4:200820:223279,C[C@@H]1CN(Cc2ccc(-c3cnc(C4CCCN4)nc3)c(F)c2)CCN1C(=O)OC(C)(C)C,ISJNKXTWZGXMJA-PLEWWHCXSA-N
-rxn:4:200820:223697,C[C@@H]1CN(Cc2ccc(-c3ccc(S(=O)(=O)N4CCCCC4)cc3C(F)(F)F)c(F)c2)CCN1C(=O)OC(C)(C)C,IDHFUCBZMMCWGG-HXUWFJFHSA-N
-rxn:4:200822:222616,CC(C)(C)OC(=O)N1CCCN(S(=O)(=O)c2cccc(-c3cc(C4CCNCC4)cc(C(C)(C)C)c3)c2)CC1,OEFQGLUEGFNZQP-UHFFFAOYSA-N
-rxn:4:200824:223532,Cc1ccc(-c2cc(F)cc(CN3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,CRHBGQAOPLBABV-UHFFFAOYSA-N
-rxn:4:200824:223931,Cc1ccc(-c2cc3ccc(Cl)cc3n2C(=O)OC(C)(C)C)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,UTHOVLDCFACRQY-UHFFFAOYSA-N
-rxn:4:200826:226844,Cc1cc(-c2ccnc(C(=O)C(F)(F)F)c2)cc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1,MNHZVLZIZGMTIC-UHFFFAOYSA-N
-rxn:4:200827:226844,CC1CN(S(=O)(=O)c2cc(-c3ccnc(C(=O)C(F)(F)F)c3)c(F)cc2F)CCN1C(=O)OC(C)(C)C,VYIUWWYILGMMHC-UHFFFAOYSA-N
-rxn:4:200842:223279,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cnc(C4CCCN4)nc3)ccc2C2CC2)CC1,CRQHEFPYOTWPQV-UHFFFAOYSA-N
-rxn:4:200844:223279,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(C4CCCN4)nc3)cc2C2CC2)CC1,TVBQCLXQRNQDLF-UHFFFAOYSA-N
-rxn:4:200846:225348,COC(=O)c1ccc(C(F)(F)F)cc1-c1ccc(C2CC2)cc1N1CCN(C(=O)OC(C)(C)C)CC1,RRWQQKPARPOBEQ-UHFFFAOYSA-N
-rxn:4:200848:222793,CC(C)(C)OC(=O)Nc1cccc(-c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)ccc2C2CC2)c1F,MNSDFNSHEGJBLT-UHFFFAOYSA-N
-rxn:4:200863:223279,Cc1cc(CN2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)ccc1-c1cnc(C2CCCN2)nc1,GSJQNHLTGDSOJL-HSTJUUNISA-N
-rxn:4:200865:223179,CONC(=O)c1cc(-c2cccc(C(C)N3CCN(C(=O)OC(C)(C)C)C(C)C3)c2)ccc1F,LMYNAUPGPAJAKB-UHFFFAOYSA-N
-rxn:4:200865:223183,CNS(=O)(=O)c1ccc(-c2cccc(C(C)N3CCN(C(=O)OC(C)(C)C)C(C)C3)c2)c(C)c1,YQDIJPPKFLTDQX-UHFFFAOYSA-N
-rxn:4:200867:223279,CC1CN(C(=O)OC(C)(C)C)CCN1C(C)c1ccccc1-c1cnc(C2CCCN2)nc1,AUHIDEUYFVZYSO-UHFFFAOYSA-N
-rxn:4:200868:223279,CC(c1ccccc1-c1cnc(C2CCCN2)nc1)N1CCN(C(=O)OC(C)(C)C)C(C)C1,DPLOJMAIGWXSEO-UHFFFAOYSA-N
-rxn:4:200870:226844,C[C@@H]1CN(Cc2ccc(F)c(-c3ccnc(C(=O)C(F)(F)F)c3)c2)[C@@H](C)CN1C(=O)OC(C)(C)C,HSQZAJLWPLXHQH-JKSUJKDBSA-N
-rxn:4:200871:223279,Cc1cc(-c2cnc(C3CCCN3)nc2)cc(C)c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,NKESAYFDUVJMKM-UHFFFAOYSA-N
-rxn:4:200872:226844,Cc1cc(-c2ccnc(C(=O)C(F)(F)F)c2)cc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)c1,HKXFKRMUNWUMMF-INIZCTEOSA-N
-rxn:4:200875:223279,COc1cc(S(=O)(=O)N2CCN(c3ccc(C)c(Cl)c3)CC2)c(OC)cc1-c1cnc(C2CCCN2)nc1,UEIUOJXXFIAIEA-UHFFFAOYSA-N
-rxn:4:200877:223279,COc1cc(OC)cc(C2=NC3(CCCC3)N(C(=O)c3ccc(-c4cnc(C5CCCN5)nc4)cc3)C2=S)c1,WCFNGRQONLNREY-UHFFFAOYSA-N
-rxn:4:200878:223279,COc1ccc(S(=O)(=O)N2CCOC23CCN(C(=O)c2ccc(-c4cnc(C5CCCN5)nc4)o2)CC3)cc1,ZEORFJKYPRLGNE-UHFFFAOYSA-N
-rxn:4:200878:226844,COc1ccc(S(=O)(=O)N2CCOC23CCN(C(=O)c2ccc(-c4ccnc(C(=O)C(F)(F)F)c4)o2)CC3)cc1,HBAOWKNMKCPLOR-UHFFFAOYSA-N
-rxn:4:200879:223279,COc1ccc(-c2cnc(C3CCCN3)nc2)cc1CN1CCCC(C(=O)N2CCCCC2)C1,HWQMQYDRTMAXGZ-UHFFFAOYSA-N
-rxn:4:200880:223179,CONC(=O)c1cc(-c2ccc(CC(=O)N3CCC(N4CCC(OC)CC4)CC3)cc2)ccc1F,RQQRVZLZPREOQB-UHFFFAOYSA-N
-rxn:4:200881:223179,CONC(=O)c1cc(-c2ccccc2CCC(=O)N2CCCN(C3CCSCC3)CC2)ccc1F,LPSHJXFITBGZAB-UHFFFAOYSA-N
-rxn:4:200882:223279,CC(C)(C)OC(=O)N1CCC2(CC1)CN(Cc1cccc(-c3cnc(C4CCCN4)nc3)c1)C2,ZHFZAADTQTWVGO-UHFFFAOYSA-N
-rxn:4:200897:223279,COc1cc(S(=O)(=O)N2CCN(c3ccc(C)c(C)c3)CC2)c(OC)cc1-c1cnc(C2CCCN2)nc1,HSXWABJHQXGOIN-UHFFFAOYSA-N
-rxn:4:200898:223279,COc1cc(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)c(OC)cc1-c1cnc(C2CCCN2)nc1,JSWZAVYSLKXEPA-UHFFFAOYSA-N
-rxn:4:200901:226844,COc1cc(OC)cc(C2=NC3(CCCCC3)N(C(=O)c3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3)C2=S)c1,ATVRPQKKQGICBS-UHFFFAOYSA-N
-rxn:4:200902:223179,CONC(=O)c1cc(-c2ccc(C(=O)N3CCC4(CC3)OCCN4S(=O)(=O)c3ccc(OC)cc3)cc2)ccc1F,MYPUOYBPWUVGCY-UHFFFAOYSA-N
-rxn:4:200902:223279,COc1ccc(S(=O)(=O)N2CCOC23CCN(C(=O)c2ccc(-c4cnc(C5CCCN5)nc4)cc2)CC3)cc1,QZLBODNJYOBRLL-UHFFFAOYSA-N
-rxn:4:200903:223179,CONC(=O)c1cc(-c2cc(C(C)C)c(S(=O)(=O)N3CCN(c4ccccc4OC)CC3)cc2C)ccc1F,OWKZAHIYKHWVPH-UHFFFAOYSA-N
-rxn:4:200903:223279,COc1ccccc1N1CCN(S(=O)(=O)c2cc(C)c(-c3cnc(C4CCCN4)nc3)cc2C(C)C)CC1,HHIBQNSWXNEYLE-UHFFFAOYSA-N
-rxn:4:200904:222634,COc1ccc(C(=O)N2C(=S)C(c3ccc(-c4ccc(OCCNC5CCCC5)c(F)c4)cc3)=NC23CCCCCC3)cc1OC,BXBURYNQFTYNDZ-UHFFFAOYSA-N
-rxn:4:200904:223279,COc1ccc(C(=O)N2C(=S)C(c3ccc(-c4cnc(C5CCCN5)nc4)cc3)=NC23CCCCCC3)cc1OC,STJZOMKQSKHNDW-UHFFFAOYSA-N
-rxn:4:200909:223671,COC(=O)Cc1[nH]c2nc(-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)ccc2c1C(=O)OC,OOYWOJKUDKSFIJ-UHFFFAOYSA-N
-rxn:4:201058:226894,CCOC(=O)C1=C(C)N=C2SC(CC)C(=O)N2C1c1cccc(-c2cc(Cl)c(F)cc2C(F)(F)F)c1,WSMLKEXYPRYYPK-UHFFFAOYSA-N
-rxn:4:201089:223279,CC(C)(C)OC(=O)N1CCN(C(=O)c2cc3cc(-c4cnc(C5CCCN5)nc4)ccc3s2)CC1,QEPSJKWXATVKLE-UHFFFAOYSA-N
-rxn:4:201089:226844,CC(C)(C)OC(=O)N1CCN(C(=O)c2cc3cc(-c4ccnc(C(=O)C(F)(F)F)c4)ccc3s2)CC1,FJZYKYDYQVNFSB-UHFFFAOYSA-N
-rxn:4:201103:226844,O=C(CCc1ccccc1-c1ccnc(C(=O)C(F)(F)F)c1)N1CC(N2C(=O)C3CC=CCC3C2=O)C1,QPTJHPWBEYMDBW-UHFFFAOYSA-N
-rxn:4:201104:223179,CCOc1ccc(C2SCC3C(=O)N(c4ccc(-c5ccc(F)c(C(=O)NOC)c5)cc4)C(=S)N32)cc1OC,IANZUXHKJWCXME-UHFFFAOYSA-N
-rxn:4:201120:223279,COC(=O)C1=C(C)N=C2SC(Cc3ccc(-c4cnc(C5CCCN5)nc4)cc3)C(=O)N2C1c1ccccc1,PSFIARFLGAGRMA-UHFFFAOYSA-N
-rxn:4:201123:223279,CCCCN1C(=O)C(=C2SC(=S)N(Cc3ccc(F)cc3)C2=O)c2cc(-c3cnc(C4CCCN4)nc3)ccc21,SISCABMMXMGMNX-UHFFFAOYSA-N
-rxn:4:201124:226844,CC(C)(C)OC(=O)N1CCC(Cn2ccc3cc(-c4ccnc(C(=O)C(F)(F)F)c4)ccc32)CC1,JQKFLEGYBVZJNA-UHFFFAOYSA-N
-rxn:4:201126:226844,O=C1CCC(=O)N1C1CC2CCC(C1)N2C(=O)CCc1ccccc1-c1ccnc(C(=O)C(F)(F)F)c1,RGTRNTQLSCQMMT-UHFFFAOYSA-N
-rxn:4:201143:226844,O=C(CCc1ccccc1-c1ccnc(C(=O)C(F)(F)F)c1)N1CCC(N2CCc3sccc3C2)CC1,IZBXDHXUDZBDAO-UHFFFAOYSA-N
-rxn:4:201146:223279,CCCCN1C(=O)C(=C2SC(=S)N(C(C)c3ccccc3)C2=O)c2cc(-c3cnc(C4CCCN4)nc3)ccc21,AWAFRXPJJXHOCL-UHFFFAOYSA-N
-rxn:4:201147:223279,CCCCN1C(=O)C(=C2SC(=S)N(Cc3ccc(C)cc3)C2=O)c2cc(-c3cnc(C4CCCN4)nc3)ccc21,DXILPGWVJCZVEO-UHFFFAOYSA-N
-rxn:4:201150:223279,CC(C)(C)OC(=O)N1CCC(CN2CCc3cc(-c4cnc(C5CCCN5)nc4)ccc3C2)CC1,HDZCRFWGACWQPH-UHFFFAOYSA-N
-rxn:4:201151:223279,CC(C)(C)OC(=O)N1CCCC(CN2CCc3cc(-c4cnc(C5CCCN5)nc4)ccc3C2)C1,NODQMPRKRUJJSI-UHFFFAOYSA-N
-rxn:4:201171:223279,O=C(N1CCN=C1SCc1ccc(-c2cnc(C3CCCN3)nc2)cc1)C12CC3CC(CC(C3)C1)C2,RLEIINUHMUFCAF-UHFFFAOYSA-N
-rxn:4:201171:226844,O=C(c1cc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)ccn1)C(F)(F)F,KFWIIJHHBQLDRE-UHFFFAOYSA-N
-rxn:4:201182:226844,O=C1c2oc3ccccc3c(=O)c2C(c2cccc(-c3ccnc(C(=O)C(F)(F)F)c3)c2)N1CCCN1CCOCC1,BBKGBBGOSFQRPR-UHFFFAOYSA-N
-rxn:4:201183:223179,CONC(=O)c1cc(-c2ccc(C3c4c(oc5ccccc5c4=O)C(=O)N3CCCN3CCOCC3)cc2)ccc1F,MVIGVXIGSMIBGZ-UHFFFAOYSA-N
-rxn:4:201183:226844,O=C1c2oc3ccccc3c(=O)c2C(c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2)N1CCCN1CCOCC1,YJRPSEVIJCLTDO-UHFFFAOYSA-N
-rxn:4:201241:223728,CCCCCC1CCC(c2ccc(-c3cc(C#N)cc([N+](=O)[O-])c3C(=O)OC)c(F)c2)CC1,CSEMMEZTKJYNGI-UHFFFAOYSA-N
-rxn:4:201378:226844,CC(=O)n1nc(C(F)(F)C(F)(F)C(F)(F)F)c(-c2ccnc(C(=O)C(F)(F)F)c2)c1C,IPHUMCWUUSMVKK-UHFFFAOYSA-N
-rxn:4:201379:226844,CC(=O)n1nc(C)c(-c2ccnc(C(=O)C(F)(F)F)c2)c1C(F)(F)C(F)(F)C(F)(F)F,AWXOYVCEXVKDNO-UHFFFAOYSA-N
-rxn:4:201391:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3ccn(CC(=O)OC(C)(C)C)n3)c2)CC1,YYFGNAFYCCUDQP-UHFFFAOYSA-N
-rxn:4:201564:222543,CCc1nc(-c2ccc(C3(NC(=O)OC(C)(C)C)CC3)cc2)cn1C(=O)OC(C)(C)C,YVOFFXIQJYOCEN-UHFFFAOYSA-N
-rxn:4:201564:223559,CCc1nc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)cn1C(=O)OC(C)(C)C,YMWVPSYSXQXPNH-UHFFFAOYSA-N
-rxn:4:201606:223776,CC(C)(C)OC(=O)N1CCOc2ccc(-c3cnc(OCC4CCOCC4)c([N+](=O)[O-])c3)cc2C1,BJAGYIWUTOJJGP-UHFFFAOYSA-N
-rxn:4:201621:224590,CCSC1=NCCN1S(=O)(=O)c1ccc(-c2ccc(CN3CCC(C)CC3)cc2F)cc1,XNHAYYINGUTBQJ-UHFFFAOYSA-N
-rxn:4:201621:224777,CCSC1=NCCN1S(=O)(=O)c1ccc(-c2cnc(C3CCCC3)c(C(F)(F)F)c2)cc1,FZFCQXZBPHOFLW-UHFFFAOYSA-N
-rxn:4:201687:223481,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3cnc(OCCC4CCCCC4)nc3)c(F)c2)CC1,WPPGKONNVMINMH-UHFFFAOYSA-N
-rxn:4:201704:223179,CONC(=O)c1cc(-c2ccc(C(=O)N3CC(CN4C(=O)CCC4=O)C3)o2)ccc1F,GIDUSTMSZPOHBI-UHFFFAOYSA-N
-rxn:4:201704:224959,O=C(c1ccc(-c2ccc(OCC3CCCCO3)cc2)o1)N1CC(CN2C(=O)CCC2=O)C1,LWDMJQHCTAMLAP-UHFFFAOYSA-N
-rxn:4:201704:226844,O=C(c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)o1)N1CC(CN2C(=O)CCC2=O)C1,YQCUJGWHTXCKDM-UHFFFAOYSA-N
-rxn:4:201765:223179,CONC(=O)c1cc(-c2ccc(C(=O)N3CC(CN4C(=O)COC4=O)C3)cc2)ccc1F,ZPPITOZLTSICSO-UHFFFAOYSA-N
-rxn:4:201775:225308,CC(C)(C)OC(=O)N1CCC(c2csc(-c3cc(C(F)(F)F)cc(C4CC4)c3Cl)n2)C1,GUOONIRUJWXWGF-UHFFFAOYSA-N
-rxn:4:201778:223816,CN1CCN(C(=O)COc2cccc(-c3cc4c(Cl)ccnc4n3COCC[Si](C)(C)C)c2)CC1,BUTVNUDQSMYFOJ-UHFFFAOYSA-N
-rxn:4:201781:224645,CCOC(=O)C1CCN(c2cncc(-c3ccc(C(=O)N4CCCC4)cc3OC)c2)CC1,OSAINXRZTWVOQD-UHFFFAOYSA-N
-rxn:4:201812:224634,CCOC(=O)c1ncc(-c2ccc(OC)c(CN3CCOCC3)c2)cc1N1CCC(F)(F)CC1,JAOLYRJBWWVDRI-UHFFFAOYSA-N
-rxn:4:201856:226844,O=C(c1ccccc1-c1ccnc(C(=O)C(F)(F)F)c1)N1CC(CN2C(=O)CCC2=O)C1,PXBKAIYRPVQOGW-UHFFFAOYSA-N
-rxn:4:201861:224650,COc1cc(N2CCCC(C(F)(F)F)C2)c(-c2cc(F)ccc2OCC2CCOCC2)cc1[N+](=O)[O-],IMBLXESHQXLANZ-UHFFFAOYSA-N
-rxn:4:201870:223179,CONC(=O)c1cc(-c2ccc(Cl)c(C(=O)N3CC(CN4C(=O)CCC4=O)C3)c2)ccc1F,IPAUKURMPHDLOF-UHFFFAOYSA-N
-rxn:4:201906:226844,COc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)c(C(=O)N2CC(N3C(=O)CCC3=O)C2)c1,ZRKSNDGDNSCRJD-UHFFFAOYSA-N
-rxn:4:201916:222573,O=C(NCC1CCCCC1)c1cc(F)cc(-c2ccc(S(=O)(=O)N3CCSC3c3ccc([N+](=O)[O-])cc3)cc2)c1,NUUPRRGTMHFSHV-UHFFFAOYSA-N
-rxn:4:201930:224078,CC(C)(C)OC(=O)N1CCC(c2cnc(-c3cccc4c3ccn4[Si](C)(C)C(C)(C)C)s2)CC1,ZMUWBTPQMDOWMO-UHFFFAOYSA-N
-rxn:4:201933:224712,CC(=O)OC(OC(C)=O)c1ccc(-c2ccc(C3CCN(C(=O)OC(C)(C)C)C3)cn2)cc1,COWYYUITCBRLPW-UHFFFAOYSA-N
-rxn:4:201943:223505,CCOC(=O)c1cc(-c2ccc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cc2)ccc1N1CCN(C)CC1,XMBAIQYPSMYDKO-UHFFFAOYSA-N
-rxn:4:201946:224805,CCOC(=O)c1cc(-c2ccc(C3CCCN3C(=O)OC(C)(C)C)nc2)cc(C(F)(F)F)c1,YYWMZMYFNHIRNR-UHFFFAOYSA-N
-rxn:4:201947:224008,CC(C)(C)OC(=O)c1cc(-c2cc(C(=O)N3CCOCC3)cc([N+](=O)[O-])c2)cnc1N1CCCC1,KSAYFMSKMZVDJX-UHFFFAOYSA-N
-rxn:4:201950:223103,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc(C3CCN(C(=O)OC(C)(C)C)C3)nc2)s1,PQLXNDTXMIJXJI-UHFFFAOYSA-N
-rxn:4:201979:226844,COc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)c(C(=O)N2CCC(N3C(=O)COC3=O)C2)c1,WLBOJPCCPKUKPC-UHFFFAOYSA-N
-rxn:4:201997:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2ccncc2C2CN(C(=O)OC(C)(C)C)CCO2)cc1,STVMJSXMZKKGLS-UHFFFAOYSA-N
-rxn:4:202023:223179,CONC(=O)c1cc(-c2cc(CN3CCN(C4CC4)CC3)cc(C(F)(F)F)c2)ccc1F,XSNVRVXTPUCILD-UHFFFAOYSA-N
-rxn:4:202023:226844,O=C(c1cc(-c2cc(CN3CCN(C4CC4)CC3)cc(C(F)(F)F)c2)ccn1)C(F)(F)F,PANBELQFTWXPMB-UHFFFAOYSA-N
-rxn:4:202063:222935,CC(C)CC(=O)N1CCN(c2ccc(-c3ccc(CNS(=O)(=O)N(C)C)cc3)cc2)CC1,TYMZSWHCPFBNSO-UHFFFAOYSA-N
-rxn:4:202069:226346,Cc1cc(OC(C)C)c(F)c(-c2cncc(C(=O)N3CCC(S(=O)(=O)C(C)(C)C)C3)c2)c1,AYKVDWNGEYDADO-UHFFFAOYSA-N
-rxn:4:202069:226844,CC(C)(C)S(=O)(=O)C1CCN(C(=O)c2cncc(-c3ccnc(C(=O)C(F)(F)F)c3)c2)C1,FMBPFOHRSQBTJV-UHFFFAOYSA-N
-rxn:4:202072:226844,CC(C)(C)OC(=O)N1CCN(c2cccc(-c3ccnc(C(=O)C(F)(F)F)c3)c2)C(=O)C1,LWBYWHBYISGLSW-UHFFFAOYSA-N
-rxn:4:202073:226844,CC(C)(C)OC(=O)N1CCN(c2ccccc2-c2ccnc(C(=O)C(F)(F)F)c2)C(=O)C1,PLVMHLPMKHCIQV-UHFFFAOYSA-N
-rxn:4:202075:226844,CC(C)(C)OC(=O)N1CCC(C)(c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cn2)C1=O,CYGHPHDRYFFZBD-UHFFFAOYSA-N
-rxn:4:202092:223809,CN(C)C1CCN(CCc2ccc(-c3cc(N4CCOCC4)cc(N4CCOCC4)c3)cc2)CC1,FGVQYKGZKYVBPE-UHFFFAOYSA-N
-rxn:4:202095:226844,Cc1nc(C2CCN(C(=O)OC(C)(C)C)CC2)sc1-c1ccnc(C(=O)C(F)(F)F)c1,WQVPBSPPQGFQSZ-UHFFFAOYSA-N
-rxn:4:202099:223977,CC(C)(C)OC(=O)c1ccc(C(F)(F)F)cc1-c1cc(C2CCN(C(=O)OC(C)(C)C)CC2)ccn1,KVHYAMPOXMREJU-UHFFFAOYSA-N
-rxn:4:202100:224077,CC(C)(C)OC(=O)c1cc(-c2cn([Si](C)(C)C(C)(C)C)c3ccccc23)nc(N2CCCCC2)c1,CWCBAAMDKUQAFX-UHFFFAOYSA-N
-rxn:4:202110:225984,CC(C)(C)OC(=O)N1CCN(c2ccccc2-c2cnc(Cl)c(N3CCOCC3)c2)CC1,ZDFAPPMJYUGSOS-UHFFFAOYSA-N
-rxn:4:202124:225160,COc1ccc(C(=O)N2CCN(C(C)C)CC2)cc1-c1ccc(Cl)c(C(=O)N2CCCC2)c1,GEWXSPVSLRQKSJ-UHFFFAOYSA-N
-rxn:4:202128:226231,CCCCOc1ncc(-c2cncc(N3CCC(C(=O)OC(C)(C)C)CC3)c2Cl)cc1C,SHPGIIRXLULIGV-UHFFFAOYSA-N
-rxn:4:202130:226844,CC(C)(C)OC(=O)N1CCCC(c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)c(F)n2)C1,ICZLONUQNYZZSZ-UHFFFAOYSA-N
-rxn:4:202131:223179,CONC(=O)c1cc(-c2cc(Cl)cc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)ccc1F,GQCQJGRDHSTBBF-UHFFFAOYSA-N
-rxn:4:202133:223179,CONC(=O)c1cc(-c2ccc(Cl)cc2N2CCN(C(=O)OC(C)(C)C)CC2)ccc1F,UEOBQVIGAIVDFY-UHFFFAOYSA-N
-rxn:4:202135:226844,COc1c(Cl)cc(C(=O)N2CCN(C(C)C)CC2)cc1-c1ccnc(C(=O)C(F)(F)F)c1,WBHOKKPMGNVEPS-UHFFFAOYSA-N
-rxn:4:202138:226844,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)c(F)c2)CC1,PPJHPHQDULRCTR-UHFFFAOYSA-N
-rxn:4:202140:226844,CC(C)(C)OC(=O)N1CCN(c2cc(F)cc(-c3ccnc(C(=O)C(F)(F)F)c3)c2)CC1,DLBUTIKWXVXEOE-UHFFFAOYSA-N
-rxn:4:202143:222776,COc1cc(C)c(-c2ccc(CN3CCC(O)CC3)cc2F)cc1S(=O)(=O)N1CCN(C(C)=O)CC1,MFVJMPCMGUGCOF-UHFFFAOYSA-N
-rxn:4:202143:225091,CCCCOc1c(OC)ccc(-c2cc(S(=O)(=O)N3CCN(C(C)=O)CC3)c(OC)cc2C)c1F,VGPHRXMZBJEOJU-UHFFFAOYSA-N
-rxn:4:202153:223179,CONC(=O)c1cc(-c2cccc(C=C3SC(=S)N(CC(=O)N4CCCCC4)C3=O)c2)ccc1F,UUISAUHAVGKGLL-UHFFFAOYSA-N
-rxn:4:202153:223279,O=C(CN1C(=O)C(=Cc2cccc(-c3cnc(C4CCCN4)nc3)c2)SC1=S)N1CCCCC1,KDZVOQIIKWFABZ-UHFFFAOYSA-N
-rxn:4:202153:226844,O=C(CN1C(=O)C(=Cc2cccc(-c3ccnc(C(=O)C(F)(F)F)c3)c2)SC1=S)N1CCCCC1,NOHOCZXARXDVSX-UHFFFAOYSA-N
-rxn:4:202157:222724,O=C(c1cncc(-c2cnc(N3CCNCC3)c(C(F)(F)F)c2)c1)N1CCC(S(=O)(=O)c2ccccc2)CC1,NUSCIFCMEQVCLW-UHFFFAOYSA-N
-rxn:4:202167:223179,CONC(=O)c1cc(-c2ccc(CN3CCCN(S(=O)(=O)C4CC4)CC3)cc2)ccc1F,XHFQKCFMQSEWGW-UHFFFAOYSA-N
-rxn:4:202167:226844,O=C(c1cc(-c2ccc(CN3CCCN(S(=O)(=O)C4CC4)CC3)cc2)ccn1)C(F)(F)F,DBLAFUCWPVWBMM-UHFFFAOYSA-N
-rxn:4:202169:223179,CONC(=O)c1cc(-c2cccc(CN3CCOC(C(=O)N4CCCC4)C3)c2)ccc1F,IGYNWFHKJFSUCS-UHFFFAOYSA-N
-rxn:4:202175:223179,CONC(=O)c1cc(-c2ccc(S(=O)(=O)N3CCCC3C(=O)N3CCOCC3)cc2)ccc1F,JUMCUQXEDFTNSD-UHFFFAOYSA-N
-rxn:4:202175:225257,CCOC(=O)COc1cc(F)cc(-c2ccc(S(=O)(=O)N3CCCC3C(=O)N3CCOCC3)cc2)c1,CGTGQCXXQIOCJG-UHFFFAOYSA-N
-rxn:4:202180:224394,Cc1ccc(-c2cccc(N3CCN(Cc4ccccc4)CC3)c2C(F)(F)F)cc1S(=O)(=O)N1CCOCC1,DTZKFSBMOHHKHK-UHFFFAOYSA-N
-rxn:4:202195:226844,O=C(C1CC=CCC1)N1CCC(Oc2ncccc2-c2ccnc(C(=O)C(F)(F)F)c2)CC1,RDEHSVVNYQCLOT-UHFFFAOYSA-N
-rxn:4:202197:223179,CONC(=O)c1cc(-c2ccc(CN3CCOC(C(=O)N4CCSCC4)C3)cc2)ccc1F,PYWRIXQEXBTJRI-UHFFFAOYSA-N
-rxn:4:202197:226844,O=C(C1CN(Cc2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2)CCO1)N1CCSCC1,DVHWWKBHHIQRGO-UHFFFAOYSA-N
-rxn:4:202201:223279,O=C(C1CN(Cc2cccc(-c3cnc(C4CCCN4)nc3)c2)CCO1)N1CCOCC1,DGBYBPGBKGFYHY-UHFFFAOYSA-N
-rxn:4:202201:226844,O=C(C1CN(Cc2cccc(-c3ccnc(C(=O)C(F)(F)F)c3)c2)CCO1)N1CCOCC1,GOSABIZSKOIONI-UHFFFAOYSA-N
-rxn:4:202215:223838,COc1ccc(-c2ccc(N3CCN(S(=O)(=O)N(C)C)CC3)cc2)cc1S(=O)(=O)N1CCN(c2ccc(F)cc2)CC1,RKYHERKLILARSC-UHFFFAOYSA-N
-rxn:4:202226:223634,CCN(Cc1ccccc1)C(=O)c1cc(-c2cc(C3CCCN(C(=O)OC(C)(C)C)C3)cc(C)n2)ccc1F,HQHAIEZYQHCQTI-UHFFFAOYSA-N
-rxn:4:202266:223179,CONC(=O)c1cc(-c2ccc(CN3CCOC(C(=O)N4CCCCC4)C3)cc2)ccc1F,AAMRBRDVAWMOCD-UHFFFAOYSA-N
-rxn:4:202269:226844,O=C(C1CCCN(Cc2ccccc2-c2ccnc(C(=O)C(F)(F)F)c2)C1)N1CCSCC1,QVDCBDYAXWTXOV-UHFFFAOYSA-N
-rxn:4:202270:226844,O=C(C1CCCN(Cc2cccc(-c3ccnc(C(=O)C(F)(F)F)c3)c2)C1)N1CCOCC1,FUOWLEOSHFCLPC-UHFFFAOYSA-N
-rxn:4:202273:226844,O=C(C1CCCN(Cc2cccc(-c3ccnc(C(=O)C(F)(F)F)c3)c2)C1)N1CCSCC1,RZBLZSGZPZBISH-UHFFFAOYSA-N
-rxn:4:202275:226844,COC1CCN(C2CCN(C(=O)c3cc(-c4ccnc(C(=O)C(F)(F)F)c4)ccc3Cl)CC2)C1,HHUUYPVZCPLIAL-UHFFFAOYSA-N
-rxn:4:202286:227797,CC(=O)N1CCN(S(=O)(=O)c2cc(C)c(-c3cc(Cl)c(F)cc3[N+](=O)[O-])cc2C(C)C)CC1,QRUXOZWFHHBZDP-UHFFFAOYSA-N
-rxn:4:202289:226844,COc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)c(C(=O)N2CCCN(C3CCSC3)CC2)c1,XKWJQBISLMYRLY-UHFFFAOYSA-N
-rxn:4:202290:223179,CONC(=O)c1cc(-c2ccc(S(=O)(=O)N3CCC(N4CCC(OC)C4)CC3)cc2)ccc1F,OUMUKKVRFHJWKI-UHFFFAOYSA-N
-rxn:4:202290:226844,COC1CCN(C2CCN(S(=O)(=O)c3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3)CC2)C1,GSNWCZLXCOICCY-UHFFFAOYSA-N
-rxn:4:202290:227828,COC1CCN(C2CCN(S(=O)(=O)c3ccc(-c4cccc(C5CC5)c4C)cc3)CC2)C1,MQYKWZLOJDVIBJ-UHFFFAOYSA-N
-rxn:4:202290:228490,COC1CCN(C2CCN(S(=O)(=O)c3ccc(-c4cccc(S(=O)(=O)F)c4)cc3)CC2)C1,UBDNVIVELJGBHY-UHFFFAOYSA-N
-rxn:4:202310:223279,O=S(=O)(c1ccc(-c2cnc(C3CCCN3)nc2)cc1)N1CCCSCC1CN1CCOCC1,OZBBBAJDETZGQT-UHFFFAOYSA-N
-rxn:4:202310:223287,CNS(=O)(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCCSCC3CN3CCOCC3)cc2)cc1,YRVUIDVJZXDPTF-UHFFFAOYSA-N
-rxn:4:202311:223179,CONC(=O)c1cc(-c2ccc(CN3CCC(C(=O)N4CCC(F)(F)CC4)CC3)cc2)ccc1F,SVMKWMGLWLHIAB-UHFFFAOYSA-N
-rxn:4:202320:223279,CC(C)(C)[Si](C)(C)ON1CCN(c2cc(F)cc(-c3cnc(C4CCCN4)nc3)c2)CC1,HUCDVIBMVWIZPL-UHFFFAOYSA-N
-rxn:4:202321:227248,CCCOc1cc(Cl)cc(-c2ccc(CN3CCCC(C(F)(F)F)C3)c(N3CCCCC3)c2)c1,NUPAQBVKNBDYPL-UHFFFAOYSA-N
-rxn:4:202328:228490,COC1CCN(C2CCN(S(=O)(=O)c3ccccc3-c3cccc(S(=O)(=O)F)c3)CC2)CC1,REWSZNWAINGOFX-UHFFFAOYSA-N
-rxn:4:202337:223279,Cc1ccc(S(=O)(=O)N2CCOC23CCN(C(=O)c2ccc(-c4cnc(C5CCCN5)nc4)o2)CC3)cc1,BNCKZKFFIRPWQB-UHFFFAOYSA-N
-rxn:4:202337:226844,Cc1ccc(S(=O)(=O)N2CCOC23CCN(C(=O)c2ccc(-c4ccnc(C(=O)C(F)(F)F)c4)o2)CC3)cc1,HFXISXRWNIZIEX-UHFFFAOYSA-N
-rxn:4:202338:226844,O=C(c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1)N1CCC2(CC1)OCCN2S(=O)(=O)c1ccccc1,WOQGFIOQXATWGJ-UHFFFAOYSA-N
-rxn:4:202340:226844,Cc1cc(S(=O)(=O)N2CCOC23CCN(C(=O)c2ccc(-c4ccnc(C(=O)C(F)(F)F)c4)o2)CC3)ccc1F,JZYAIHLNIVBORB-UHFFFAOYSA-N
-rxn:4:202349:223179,CONC(=O)c1cc(-c2ccc(C(=O)N3CCC4(CC3)OCCN4S(=O)(=O)c3ccc(C)cc3)cc2)ccc1F,JHCSHQGCOSYYQO-UHFFFAOYSA-N
-rxn:4:202349:223279,Cc1ccc(S(=O)(=O)N2CCOC23CCN(C(=O)c2ccc(-c4cnc(C5CCCN5)nc4)cc2)CC3)cc1,PJHIRXPPKCNRSW-UHFFFAOYSA-N
-rxn:4:202350:226844,Cc1cc(S(=O)(=O)N2CCOC23CCN(C(=O)c2cccc(-c4ccnc(C(=O)C(F)(F)F)c4)c2)CC3)ccc1F,UQRMANMLYLFSAO-UHFFFAOYSA-N
-rxn:4:202466:223696,CCCC(=O)N=c1sc2cc(-c3ccc(S(=O)(=O)N4CCC5(CC4)OCCO5)cc3)ccc2n1CC,XEEKZURRAZQKJA-UHFFFAOYSA-N
-rxn:4:202518:222829,CNS(=O)(=O)c1ccc(-c2nc3c(s2)CN(C(=O)OC(C)(C)C)[C@H]3C(C)C)c(C(F)(F)F)c1,SAUMFHNPMKVYIZ-KRWDZBQOSA-N
-rxn:4:202519:226844,CC(C)(C)OC(=O)N1CCc2cc([N+](=O)[O-])c(-c3ccnc(C(=O)C(F)(F)F)c3)cc2C1,GWQDYHONXPXBMB-UHFFFAOYSA-N
-rxn:4:202520:223179,CONC(=O)c1cc(-c2ccc([N+](=O)[O-])c3c2CN(C(=O)OC(C)(C)C)CC3)ccc1F,QQTJEIKWPXDGAM-UHFFFAOYSA-N
-rxn:4:202521:226844,CC(C)(C)OC(=O)N1CCc2c(-c3ccnc(C(=O)C(F)(F)F)c3)ccc([N+](=O)[O-])c2C1,OLCRFILFNZJMAB-UHFFFAOYSA-N
-rxn:4:202559:223102,CC(C)(C)NS(=O)(=O)c1sccc1-c1cc(C#N)c2c(c1)C(C)(C)CN2C(=O)OC(C)(C)C,RAYWHRNWUDIICQ-UHFFFAOYSA-N
-rxn:4:202564:226844,CC(C)(C)OC(=O)N1CC(N2C(=O)c3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3C2=O)C1,ZDMFMAWMLJKTAW-UHFFFAOYSA-N
-rxn:4:202590:223640,CCOC12C(=O)c3cc(F)cc(-c4ccc(-n5c(SCc6c(F)cccc6Cl)nc6c(c5=O)SCC6)cc4)c3C(=O)C1C2(C)C,XBGTZKXCEUGEFW-UHFFFAOYSA-N
-rxn:4:202602:226844,CCC1SC2=NC(C)=C(C(=O)OC)C(c3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3)N2C1=O,RSJIJPSIBKAOSG-UHFFFAOYSA-N
-rxn:4:202604:226844,CCOC(=O)C1=C(C)N=C2SCCC(=O)N2C1c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1,AGKSEISLDWQTQM-UHFFFAOYSA-N
-rxn:4:202648:225053,CC1CCCCN1c1ccc(-c2cccnc2OC2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)C2)c(F)c1,XIHRMQOIYVQCIM-UHFFFAOYSA-N
-rxn:4:202648:225054,CC1CCCCN1c1ccc(-c2cccnc2OC2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)C2)c(Cl)c1,FPDCDQCMSLTIGD-UHFFFAOYSA-N
-rxn:4:202648:225055,CC1CCCN(c2ccc(-c3cccnc3OC3CCN(S(=O)(=O)c4ccc5c(c4)OCCO5)C3)c(Cl)c2)C1,RTLCXTZHTWFHNN-UHFFFAOYSA-N
-rxn:4:202655:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2ccc3[nH]cc(C4=CCN(C(=O)OC(C)(C)C)CC4)c3c2)cc1,PUCWHADYGLCZDN-UHFFFAOYSA-N
-rxn:4:202682:226844,CC(C)(C)OC(=O)N1CC2CCC1CN2c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1,BLPINSFLRWSHTC-UHFFFAOYSA-N
-rxn:4:202683:223279,O=C(Cc1ccc(-c2cnc(C3CCCN3)nc2)cc1)N1CC(N2CC3CCCC3C2)C1,DZLHWCZQDSOUPS-UHFFFAOYSA-N
-rxn:4:202684:223279,CC(C)(C)OC(=O)N1CC(N2CCc3cc(-c4cnc(C5CCCN5)nc4)ccc3C2)C1,VJRHXOYZNZQJGY-UHFFFAOYSA-N
-rxn:4:202686:226844,CCOC(=O)N1CCC(N2Cc3cc(-c4ccnc(C(=O)C(F)(F)F)c4)ccc3OCC2=O)CC1,NXUDMHLLKVCCCI-UHFFFAOYSA-N
-rxn:4:202692:226844,COc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)c(C(=O)N2CC(N3C(=O)C4CC=CCC4C3=O)C2)c1,GOOUSAMMFZSBSP-UHFFFAOYSA-N
-rxn:4:202698:223279,CCCN1C(=O)C(=C2SC(=S)N(Cc3ccccc3Cl)C2=O)c2cc(-c3cnc(C4CCCN4)nc3)ccc21,WBRMLCQKISPKTJ-UHFFFAOYSA-N
-rxn:4:202699:223542,CN1CCN(S(=O)(=O)c2cc(-c3ccc(COc4cccc5ccc(N6CCCCC6)nc45)cc3)ccc2OC(F)(F)F)CC1,VCAZOQVTPNDZDL-UHFFFAOYSA-N
-rxn:4:202700:224756,O=C(c1ccc(F)cc1-c1ccc(CC(=O)N2C3CCC2CC(N2C(=O)CCC2=O)C3)cc1)N1CCOCC1,BGLKUVJRGMDPIG-UHFFFAOYSA-N
-rxn:4:202700:226844,O=C1CCC(=O)N1C1CC2CCC(C1)N2C(=O)Cc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1,LQUZYNCADZSHTL-UHFFFAOYSA-N
-rxn:4:202707:223179,CONC(=O)c1cc(-c2ccc(CN3C(=O)N(c4cccc(SC)c4)C4CS(=O)(=O)CC43)c(F)c2)ccc1F,OBBFKHZQSJAIJT-UHFFFAOYSA-N
-rxn:4:202710:222922,CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)c2ccccc12,SOSUETPZOBCRIR-UHFFFAOYSA-N
-rxn:4:202712:223279,CC(C)(C)OC(=O)N1CCC[C@H](N2Cc3cc(-c4cnc(C5CCCN5)nc4)ccc3C2=O)C1,WAZVBXRJZXRBRE-AIBWNMTMSA-N
-rxn:4:202719:222800,Cc1cc(-c2ccc(S(=O)(=O)c3c(C(=O)N4CCCCC4)cnc4ccccc34)cc2)cc(C)c1S(=O)(=O)NC(C)C,PRCJFOURRPBARB-UHFFFAOYSA-N
-rxn:4:202736:223279,CCCN1C(=O)C(=C2SC(=S)N(C(C)c3ccccc3)C2=O)c2cc(-c3cnc(C4CCCN4)nc3)ccc21,GDDDTNLGQODEBQ-UHFFFAOYSA-N
-rxn:4:202754:223279,CC(C)(C)OC(=O)N1CCC(N2CCCc3cc(-c4cnc(C5CCCN5)nc4)ccc32)CC1,YGXQUDPMPTVZCV-UHFFFAOYSA-N
-rxn:4:202761:224825,COc1ccc(C2C3C(=O)N(c4ccc(-c5cc(C(=O)N(C)OC)cc([N+](=O)[O-])c5)cc4)C(=O)C3ON2c2ccccc2C)cc1,LQIYOMNCMJZQGC-UHFFFAOYSA-N
-rxn:4:202807:223279,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2cnc(C3CCCN3)nc2)cc1,RYZHYPATIYOXHN-UHFFFAOYSA-N
-rxn:4:202811:223279,O=C(N1CCC(Oc2ncccc2-c2cnc(C3CCCN3)nc2)CC1)C12CC3CC(CC(C3)C1)C2,FCZALPPXRWAXHF-UHFFFAOYSA-N
-rxn:4:203314:223489,COC(=O)c1nn(C2CCOC2=O)cc1-c1ccc(S(=O)(=O)N2CCC(O[Si](C)(C)C(C)(C)C)CC2)cc1,CWVSMFPPRLTHGF-UHFFFAOYSA-N
-rxn:4:203517:222523,CC(C)(C)NS(=O)(=O)c1ccc(-c2cccnc2/C=N/S(=O)C(C)(C)C)c(C(F)(F)F)c1,JJOKHCGKFMGQJY-LGJNPRDNSA-N
-rxn:4:203639:223951,CN1CCN(CCOc2ccc(-c3ccc(S(=O)(=O)NN4CCSCC4)cc3)cc2F)CC1,YGZWXKVZWYIAEO-UHFFFAOYSA-N
-rxn:4:203702:225110,CC(C)(C)OC(=O)Oc1ccc(-c2cnc(C(=O)N3CCCC(C(F)(F)F)C3)c(Cl)c2)cc1,PMTXYHJGNMSVPZ-UHFFFAOYSA-N
-rxn:4:203703:222946,O=C(c1ncc(-c2cnc(N3CCCCC3O)nc2Cl)cc1Cl)N1CCC(C(F)(F)F)CC1,GCCJLRIFSIDIHM-UHFFFAOYSA-N
-rxn:4:203709:226844,O=C(c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)o1)N1CCC(N2C(=O)COC2=O)C1,CVOQLZWJIQIOPB-UHFFFAOYSA-N
-rxn:4:203712:225978,O=S(=O)(c1ccc(-c2ccc(N3CCOCC3)nc2F)cc1)N1C=CC(C(F)(F)F)=NCC1,RQKAYLTVSWSQIE-UHFFFAOYSA-N
-rxn:4:203712:226597,CC(C)Oc1c(F)cc(-c2ccc(S(=O)(=O)N3C=CC(C(F)(F)F)=NCC3)cc2)cc1F,JOAGEBWXRWBBCG-UHFFFAOYSA-N
-rxn:4:203712:226612,O=S(=O)(c1ccc(-c2cnc(N3CCCCC3)nc2)cc1)N1C=CC(C(F)(F)F)=NCC1,HZQDAPRVMGZPIR-UHFFFAOYSA-N
-rxn:4:203712:226841,COc1cc(-c2ccc(S(=O)(=O)N3C=CC(C(F)(F)F)=NCC3)cc2)cnc1C(F)(F)F,SAPTYNNXLRLLHV-UHFFFAOYSA-N
-rxn:4:203758:225190,COc1cc(N2CCOCC2)ccc1-c1cc(F)c([N+](=O)[O-])c(N2CCC(C(F)(F)F)CC2)c1,KSVWLSMEALZRBG-UHFFFAOYSA-N
-rxn:4:203758:226844,O=C(c1cc(-c2cc(F)c([N+](=O)[O-])c(N3CCC(C(F)(F)F)CC3)c2)ccn1)C(F)(F)F,SAXSXCXYAKYNEW-UHFFFAOYSA-N
-rxn:4:203760:226844,O=C(c1cc(-c2cc(N3CCC(C(F)(F)F)CC3)c([N+](=O)[O-])cc2F)ccn1)C(F)(F)F,CONSNLMSSPSCLY-UHFFFAOYSA-N
-rxn:4:203764:226844,O=C(c1cc(-c2cnc(N3CCCC(C(F)(F)F)C3)cc2C(F)(F)F)ccn1)C(F)(F)F,XGKMINBNWRRSDL-UHFFFAOYSA-N
-rxn:4:203776:222684,COC1CCN(c2cc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)cc(F)c2[N+](=O)[O-])CC1,GGRDQQWMBXUNJV-UHFFFAOYSA-N
-rxn:4:203783:224992,COc1cc(N2CCC(F)(F)CC2)c(-c2ccccc2CN2CCC(=O)CC2)cc1[N+](=O)[O-],UDLKQAHCPLFKFH-UHFFFAOYSA-N
-rxn:4:203790:223179,CONC(=O)c1cc(-c2ccc(Cl)c(C(=O)N3CC(N4C(=O)CCC4=O)C3)c2)ccc1F,UDFFAFVJIHGGLX-UHFFFAOYSA-N
-rxn:4:203790:226844,O=C(c1cc(-c2ccnc(C(=O)C(F)(F)F)c2)ccc1Cl)N1CC(N2C(=O)CCC2=O)C1,UPQKKNVEJZALHB-UHFFFAOYSA-N
-rxn:4:203833:223179,CONC(=O)c1cc(-c2ccc(C(=O)N3CCC(N4C(=O)CSC4=O)CC3)o2)ccc1F,WHRMBDLARCKYJU-UHFFFAOYSA-N
-rxn:4:203841:226844,O=C(c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1)N1CCC(N2C(=O)COC2=O)C1,MYCRRNDKWIZPIN-UHFFFAOYSA-N
-rxn:4:203880:222826,CS(=O)(=O)N1CCCC(Cc2cccc(-c3cccc(S(=O)(=O)N4CCNCC4)c3)n2)C1,XCXQWYBEXWWWKJ-UHFFFAOYSA-N
-rxn:4:203884:222804,CN1CCN(S(=O)(=O)Cc2ccc(-c3ccc(NC4CCS(=O)(=O)CC4)cc3)cc2)CC1,BQAOVEPECYIJIG-UHFFFAOYSA-N
-rxn:4:203884:223542,CN1CCN(S(=O)(=O)Cc2ccc(-c3ccc(OC(F)(F)F)c(S(=O)(=O)N4CCN(C)CC4)c3)cc2)CC1,DLWAQCVKKGZAHX-UHFFFAOYSA-N
-rxn:4:203886:224607,COc1cc(-c2ccc(C(=O)OCC[Si](C)(C)C)cc2)ccc1C(=O)N1CCN(C)CC1,SZEGXWIXYWTIAT-UHFFFAOYSA-N
-rxn:4:203914:226542,CCOC(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCN(C)CC3)cc2C(F)(F)F)cc1F,VWYOHGXIMIAVPH-UHFFFAOYSA-N
-rxn:4:203928:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1cccc(CN2CCN(C3CC3)CC2)c1Cl,YPCBVKCNNDYYIJ-UHFFFAOYSA-N
-rxn:4:203935:224615,COc1cc(S(=O)(=O)N2CCN(C)CC2)ccc1-c1cccc(OCCN2CCOCC2)c1,FQWIPFAMLXXCEQ-UHFFFAOYSA-N
-rxn:4:203961:224753,CCc1cc(-c2cc(S(=O)(=O)N3CCCC3)ccc2C)ccc1C(=O)N1CCN(C)CC1,FNNQKKITGVLNGB-UHFFFAOYSA-N
-rxn:4:203971:224191,COc1ccc(O[Si](C)(C)C(C)(C)C)cc1-c1ccc(C(=O)N2CCC(N(C)C)CC2)c(F)c1,DWNLAIDTKLKDLS-UHFFFAOYSA-N
-rxn:4:203976:224746,CC(=O)N1CCN(c2ccc(-c3cc(Cl)c(S(=O)(=O)N4CCN(C(C)=O)CC4)cc3C)cn2)CC1,MTXZBXHCWAZQFY-UHFFFAOYSA-N
-rxn:4:203985:226844,O=C(c1ccccc1-c1ccnc(C(=O)C(F)(F)F)c1)N1CCC(N2C(=O)COC2=O)CC1,GJKAWXRJIGPQEG-UHFFFAOYSA-N
-rxn:4:203987:223179,CONC(=O)c1cc(-c2ccc(Cl)c(C(=O)N3CCC(N4C(=O)COC4=O)CC3)c2)ccc1F,SYMHKQBPJPRFKW-UHFFFAOYSA-N
-rxn:4:203987:226844,O=C(c1cc(-c2ccnc(C(=O)C(F)(F)F)c2)ccc1Cl)N1CCC(N2C(=O)COC2=O)CC1,ZCNQZLNBYLZJKH-UHFFFAOYSA-N
-rxn:4:204018:223898,CC(C)N(C(=O)OC(C)(C)C)c1ccc(-c2ccc(CN3CCN(S(C)(=O)=O)C(C)C3)cc2)cc1,UCACPPXHQNPXDO-UHFFFAOYSA-N
-rxn:4:204019:225805,CC(c1ccc(-c2ccccc2CN2CCN(S(C)(=O)=O)C(C)C2)s1)N1CCOCC1,ZGYUDIUUNATWEO-UHFFFAOYSA-N
-rxn:4:204029:223815,CC1CN(S(C)(=O)=O)CCN1Cc1ccc(-c2ccc(Cl)c(CN3CCC4(CC3)OCCO4)c2)cc1,WQVCHZXMAARCEX-UHFFFAOYSA-N
-rxn:4:204030:225161,CC(C)S(=O)(=O)N1CCN(c2cccc(-c3ccc(F)c(C(=O)N4CCCC4)c3)c2)CC1,JJDSKLUWKLUTSC-UHFFFAOYSA-N
-rxn:4:204031:222817,COc1ccc(S(=O)(=O)NC2CC2)cc1-c1ccccc1N1CCN(S(=O)(=O)C(C)C)CC1,VKECEFCCIHAHEG-UHFFFAOYSA-N
-rxn:4:204031:223846,Cc1cc(-c2ccccc2N2CCN(S(=O)(=O)C(C)C)CC2)cc(C2CC3CCC2(C)C3(C)C)c1,JASFSDLAQDZKOJ-UHFFFAOYSA-N
-rxn:4:204054:223179,CONC(=O)c1cc(-c2ccc(C(=O)N3CCCN(C4CCOC4)CC3)o2)ccc1F,GVKOMOBARDVVJA-UHFFFAOYSA-N
-rxn:4:204055:223179,CONC(=O)c1cc(-c2ccc(C(=O)N3CCCN(C4CCSC4)CC3)o2)ccc1F,KFBRSNIASMRRJT-UHFFFAOYSA-N
-rxn:4:204055:226844,O=C(c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)o1)N1CCCN(C2CCSC2)CC1,ZKOWZHDIIWTQMW-UHFFFAOYSA-N
-rxn:4:204065:224318,Cc1cc(C(=O)N2CCC(N(C)C)CC2)ccc1-c1ccc(C(=O)N2CCN(C)CC2)c(F)c1,BXKUTZMDEPTCHH-UHFFFAOYSA-N
-rxn:4:204075:223623,CC(=O)N1CCN(S(=O)(=O)c2cc(C)c(-c3ccccc3COc3ccc(C(C)(C)C)cc3C)cc2C)CC1,OIYDWYXWRNEZGB-UHFFFAOYSA-N
-rxn:4:204082:226844,O=C(c1cccc(-c2ccnc(C(=O)C(F)(F)F)c2)c1)N1CCC(N2C(=O)COCC2=O)CC1,RXQAWEBUOSFKFZ-UHFFFAOYSA-N
-rxn:4:204092:222829,CNS(=O)(=O)c1ccc(-c2ccc(CN3CCC(N(C)C)CC3)c(C)c2)c(C(F)(F)F)c1,MNVAMQJCGBDWSE-UHFFFAOYSA-N
-rxn:4:204101:222787,CC(C)(C)OC(=O)Nc1ccc(-c2cccc(C(=O)N3CCC(N4CCCC4)CC3)c2)c(Cl)c1,IVFXJYLFXDVASE-UHFFFAOYSA-N
-rxn:4:204109:223868,COCc1cc(OCc2ccccc2)ccc1-c1ccccc1S(=O)(=O)N1CCC(N2C(=O)COCC2=O)CC1,WPWXZRFDKBSATK-UHFFFAOYSA-N
-rxn:4:204111:223179,CONC(=O)c1cc(-c2ccc(-c3ccc(C=C4SC(=S)N(N5CCOCC5)C4=O)o3)cc2)ccc1F,GMNGILIAPOQJCG-UHFFFAOYSA-N
-rxn:4:204114:223179,CONC(=O)c1cc(-c2ccc(C(=O)N3CCCN(C4CCSCC4)CC3)o2)ccc1F,AOIJEEJGOOEZEU-UHFFFAOYSA-N
-rxn:4:204115:223176,CS(=O)(=O)NCc1cccc(-c2ccccc2S(=O)(=O)N2CCCN(C3CCC3)CC2)c1,HOULHSUCTHELAK-UHFFFAOYSA-N
-rxn:4:204117:223179,CONC(=O)c1cc(-c2cccc(C(=O)N3CCCN(C4CCSC4)CC3)c2)ccc1F,XGGZAIBVFGUMCJ-UHFFFAOYSA-N
-rxn:4:204121:223179,CONC(=O)c1cc(-c2ccc(Cl)c(C(=O)N3CCCN(C4CCOC4)CC3)c2)ccc1F,FQQLKWMBLCJIBC-UHFFFAOYSA-N
-rxn:4:204121:223279,O=C(c1cc(-c2cnc(C3CCCN3)nc2)ccc1Cl)N1CCCN(C2CCOC2)CC1,ALCGCXSIGAZISI-UHFFFAOYSA-N
-rxn:4:204134:223179,CONC(=O)c1cc(-c2ccccc2S(=O)(=O)N2CCCN(C3CCOC3)CC2)ccc1F,VLIXHMKAHNNRQI-UHFFFAOYSA-N
-rxn:4:204134:226844,O=C(c1cc(-c2ccccc2S(=O)(=O)N2CCCN(C3CCOC3)CC2)ccn1)C(F)(F)F,NRSAPQVARCIGLD-UHFFFAOYSA-N
-rxn:4:204135:223179,CONC(=O)c1cc(-c2ccccc2S(=O)(=O)N2CCCN(C3CCSC3)CC2)ccc1F,DKJZAENGIVSIAW-UHFFFAOYSA-N
-rxn:4:204135:223284,CS(=O)(=O)Nc1ccc(-c2ccccc2S(=O)(=O)N2CCCN(C3CCSC3)CC2)cc1,GIRLCPLNONLMIF-UHFFFAOYSA-N
-rxn:4:204143:223523,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc(C(=O)N4CCN(c5cccc(C)c5C)CC4)cc3)c3ccccc23)CC1,DVMDLJCMNWJRRR-UHFFFAOYSA-N
-rxn:4:204150:223179,CONC(=O)c1cc(-c2cccc(C(=O)N3CCCN(C4CCSCC4)CC3)c2)ccc1F,VHVFFIMOKDSMIE-UHFFFAOYSA-N
-rxn:4:204150:225325,CCOC(=O)c1cc(-c2cccc(C(=O)N3CCCN(C4CCSCC4)CC3)c2)cc([N+](=O)[O-])c1,SDBZULQRMCTDTO-UHFFFAOYSA-N
-rxn:4:204150:226844,O=C(c1cccc(-c2ccnc(C(=O)C(F)(F)F)c2)c1)N1CCCN(C2CCSCC2)CC1,HNUWUPNMZNXMAK-UHFFFAOYSA-N
-rxn:4:204151:223279,FC1(F)CCN(Cc2cc(-c3cnc(C4CCCN4)nc3)cc(N3CCCCC3)c2)CC1,MNBYESMJEWLZKI-UHFFFAOYSA-N
-rxn:4:204169:226181,CC1CN(Cc2ccc(-c3ccc(C4=CCCCC4)nc3)cc2N2CCCCC2)CCO1,ORCUWMVQXVZFRS-UHFFFAOYSA-N
-rxn:4:204171:223056,CC1CCCN(Cc2ccc(-c3ccc(N4CCC(O)CC4)nc3)cc2N2CCCCC2)C1,YNZBEYKXBYDUHK-UHFFFAOYSA-N
-rxn:4:204172:226364,CC1CCN(Cc2ccc(-c3ccc(N4CCCCC4)nc3)cc2N2CCCCC2)CC1,DYPVJNKMAKISCC-UHFFFAOYSA-N
-rxn:4:204172:227386,CC1CCN(Cc2ccc(-c3cnn(C4CCCCC4)c3)cc2N2CCCCC2)CC1,XRQMNJDKXYSLEW-UHFFFAOYSA-N
-rxn:4:204179:222622,CCC(C)c1cc(-c2cc(C)c(S(=O)(=O)N3CCN(c4ccc(C)c(C)c4)CC3)cc2C)cc(C2CCCNC2)n1,DHLBKRDIKBCREA-UHFFFAOYSA-N
-rxn:4:204212:223520,COC(=O)Cn1ccc2cc(-c3ccc(C(C)N4CCN(C(=O)OC(C)(C)C)CC4)cc3)cnc21,ZQKQYHXVAPCAMJ-UHFFFAOYSA-N
-rxn:4:204643:224883,CSC1CC2CCC(C1)N2C(=O)c1cncc(-c2ccc(C(C)N3CCCCC3)cc2)c1,DMWHKTWUSQHFRY-UHFFFAOYSA-N
-rxn:4:204648:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc(C(=O)N4CC(N5CCc6sccc6C5)C4)o3)cc2)CC1,XVGQUIDHOSEWSB-UHFFFAOYSA-N
-rxn:4:204683:224566,COC(=O)C1(c2ccc(-c3cnc4c(c3)N(C(=O)OC(C)(C)C)CC4(C)C)cc2)CCCC1,MGXQBTBAKIRRHN-UHFFFAOYSA-N
-rxn:4:204695:226844,COC(=O)C1=C(C)N=C2SC(C)C(=O)N2C1c1cccc(-c2ccnc(C(=O)C(F)(F)F)c2)c1,SRQOPZRCHVGUQM-UHFFFAOYSA-N
-rxn:4:204696:226844,COC(=O)C1=C(C)N=C2SCCC(=O)N2C1c1ccccc1-c1ccnc(C(=O)C(F)(F)F)c1,UPJTZCCFMLVPKM-UHFFFAOYSA-N
-rxn:4:204700:226844,O=C(c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)o1)N1CC(N2C(=O)C3CC=CCC3C2=O)C1,BQEMAEDRMLCTFH-UHFFFAOYSA-N
-rxn:4:204720:222828,CCN1CCN(Cc2cc3c(c(-c4cc(F)c(F)cc4S(=O)(=O)NC4CC4)c2)OCC3)CC1,CNUAABQOFKWJNT-UHFFFAOYSA-N
-rxn:4:204744:223179,CONC(=O)c1cc(-c2ccccc2C(=O)N2CC(N3C(=O)C4CC=CCC4C3=O)C2)ccc1F,JCCYYWVIQKBCPY-UHFFFAOYSA-N
-rxn:4:204744:226844,O=C(c1ccccc1-c1ccnc(C(=O)C(F)(F)F)c1)N1CC(N2C(=O)C3CC=CCC3C2=O)C1,DZDCDTLOYAWXGG-UHFFFAOYSA-N
-rxn:4:204754:223179,CONC(=O)c1cc(-c2ccc(C(=O)N=C3SC4CS(=O)(=O)CC4N3c3ccc(Cl)cc3)cc2)ccc1F,RAHJLDGJZCRCOE-UHFFFAOYSA-N
-rxn:4:204764:223179,CONC(=O)c1cc(-c2ccc(S(=O)(=O)N3CC(N4C(=O)C5CC=CCC5C4=O)C3)cc2)ccc1F,RHUZFDMZPQXTFX-UHFFFAOYSA-N
-rxn:4:204764:226844,O=C1C2CC=CCC2C(=O)N1C1CN(S(=O)(=O)c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2)C1,MSXNMZDRTCYAGW-UHFFFAOYSA-N
-rxn:4:204775:223279,CCN1C(=O)C(=C2SC(=S)N(Cc3ccc(F)cc3)C2=O)c2cc(-c3cnc(C4CCCN4)nc3)ccc21,OVJQLPHKXHDUGB-UHFFFAOYSA-N
-rxn:4:204780:223179,CONC(=O)c1cc(-c2ccc(S(=O)(=O)N3CC(N4CC5CCCC5C4)C3)cc2)ccc1F,QBLCQAZKVDYYGL-UHFFFAOYSA-N
-rxn:4:204781:222478,Cc1ccccc1CNC(=O)c1ccc(Cl)c(-c2ccccc2C(=O)N2C3CCC2CC(N2C(=O)CCC2=O)C3)c1,DMJRTZIMUOXFRE-UHFFFAOYSA-N
-rxn:4:204785:223873,CCN1C(=O)C(=C2SC(=S)N(CC3CCCO3)C2=O)c2cc(-c3ccccc3CCC(=O)N3CCC(C)CC3)ccc21,OKECYHBKVIETFY-UHFFFAOYSA-N
-rxn:4:204797:223121,O=C(NC1CC1)c1ccc(-c2cccc(N3C=C(C(=O)N4CCCC4)S(=O)(=O)c4ccc(Cl)cc43)c2)cc1,VVLOXVNKGDIHLX-UHFFFAOYSA-N
-rxn:4:204809:226844,O=C(C1=CN(c2cccc(-c3ccnc(C(=O)C(F)(F)F)c3)c2)c2cc(F)ccc2S1(=O)=O)N1CCOCC1,DZHYHWOHHFQEKN-UHFFFAOYSA-N
-rxn:4:204816:226269,CCOc1ccc(OCC)c(-c2ccc3c(c2)C(=C2SC(=S)N(C(C)c4ccccc4)C2=O)C(=O)N3CC)c1,CRSUTVQMXGNMEE-UHFFFAOYSA-N
-rxn:4:204844:224485,Cc1ccc(N2CCN(S(=O)(=O)c3ccc(-c4ccn([Si](C(C)C)(C(C)C)C(C)C)c4)c4ccccc34)CC2)cc1,LKGBGUUXUFXOQL-UHFFFAOYSA-N
-rxn:4:204866:223124,CC1CCN(C(=O)C2=CN(c3ccc(-c4cccc(C(=O)NC(C)C)c4)cc3)c3ccccc3S2(=O)=O)CC1,JRYCVTBHHSEQDL-UHFFFAOYSA-N
-rxn:4:204874:223279,O=C1C2C(c3ccc(-c4cnc(C5CCCN5)nc4)cc3)OC3(C(=O)c4ccccc4C3=O)C2C(=O)N1c1cccc([N+](=O)[O-])c1,QZOXRTOQHDKXBI-UHFFFAOYSA-N
-rxn:4:204893:223179,CONC(=O)c1cc(-c2nc3c(s2)C2CCCC(C3)N2C(=O)OC(C)(C)C)ccc1F,WUIZJKLYNBXHKN-UHFFFAOYSA-N
-rxn:4:205885:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3ncc(C(=O)N4CCOCC4)s3)ccn2)CC1,DNGDOYNROFHLIY-UHFFFAOYSA-N
-rxn:4:206367:223541,N#Cc1c(C2CCOCC2)ccnc1-c1cc(F)c(F)cc1S(=O)(=O)N1CCC2(CC1)OCCO2,YGFCVHANLCLOMX-UHFFFAOYSA-N
-rxn:4:206414:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cnccc3C(=O)N3CCOCC3)ccn2)CC1,YYNPOGOYHNAROI-UHFFFAOYSA-N
-rxn:4:206454:223562,CC(C)(C)OC(=O)N1CCC(Cc2ccc(-c3cccc(N4CCC(F)(F)C4)c3[N+](=O)[O-])cc2)CC1,RSDGVLMMHIVZNC-UHFFFAOYSA-N
-rxn:4:206463:223983,CCN1CCN(S(=O)(=O)c2ccccc2-c2cncc(S(=O)(=O)N3CCC(F)(F)C3)c2)CC1,QBIWMKTYONCAAW-UHFFFAOYSA-N
-rxn:4:206500:223594,COC1CN(c2ccc(-c3cc(Cl)cc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)c(C)n2)C1,LSSNLWBHANSHPA-UHFFFAOYSA-N
-rxn:4:206617:224351,O=[N+]([O-])c1cc(-c2ccc(C3CCCCO3)c(C(F)(F)F)c2)ccc1N=S1(=O)CCCC1,CAKVGMCRUYSJNC-UHFFFAOYSA-N
-rxn:4:206749:222524,O=[N+]([O-])c1ccc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC(O)CC2)cc1N1CCCC(F)(F)C1,VZEXHAGZAZNFNU-UHFFFAOYSA-N
-rxn:4:206758:222722,O=S(=O)(c1cccc(-c2cc(Cl)cnc2N2CCC(C(F)(F)F)CC2)c1)N1CCC(O)CC1,VXLOXMQVPVFULE-UHFFFAOYSA-N
-rxn:4:206948:224376,CC1CCN(S(=O)(=O)c2cccc(-c3cccc(S(=O)(=O)N4CCN(C)CC4)c3)n2)CC1,SQQJNAVXYFTHPU-UHFFFAOYSA-N
-rxn:4:206961:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1cncc(S(=O)(=O)N2CCCC(C)C2)c1,CIMPXVFCDIOMKF-UHFFFAOYSA-N
-rxn:4:206998:222538,c1c(-c2nc(C3CCCCC3)cc(C3CC3)n2)cc(C2CCNCC2)nc1C1CCCC1,SITCVVLLDBHETH-UHFFFAOYSA-N
-rxn:4:207016:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cncc(C(=O)N2C(C)CCCC2C)c1,YWSBHTREDCHMAU-UHFFFAOYSA-N
-rxn:4:207059:224599,Cc1cc(S(=O)(=O)N2CCN(C)CC2)ccc1-c1cc(C(=O)C2CCCCC2)ccc1F,YPRRITFMGUEVLO-UHFFFAOYSA-N
-rxn:4:207081:225877,CC1(C)OCC2(CO1)CN(C(=O)c1cncc(-c3ccc(Cl)cc3N3CCOCC3)c1)C2,VMYUXQKBNMFKPL-UHFFFAOYSA-N
-rxn:4:207090:226844,CC1CCN(C2CC(=O)N(c3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3)C2=O)CC1,CKIGXGIZOLWRLW-UHFFFAOYSA-N
-rxn:4:207447:223970,Cc1ccc(-c2cncc(C(=O)N3CC4CC3CS4)c2)cc1S(=O)(=O)N1CCC(C)CC1,FLSALLBPSJAEBE-UHFFFAOYSA-N
-rxn:4:207689:224367,CC(C)COc1cc(-c2ccc3c(c2)sc(=NC(=O)C2=COCCO2)n3C)ccc1OC(F)(F)F,SNNUUWNDKSTSCY-UHFFFAOYSA-N
-rxn:4:207747:223179,CONC(=O)c1cc(-c2ccc(N3C(=NC(C)=O)SC4CS(=O)(=O)CC43)cc2)ccc1F,IBQHDUADBQNBDR-UHFFFAOYSA-N
-rxn:4:207747:226535,COC(=O)c1cc(OC)cc(-c2ccc(N3C(=NC(C)=O)SC4CS(=O)(=O)CC43)cc2)c1,BRGDMNIETVXFCK-UHFFFAOYSA-N
-rxn:4:207851:224842,Cc1cccc(N2C(=O)N(c3ccc(-c4ccc5c(c4)C(C)(C)CCC5(C)C)cc3)C3CS(=O)(=O)CC32)c1,XYJHFSAEKYLFHD-UHFFFAOYSA-N
-rxn:4:207854:225183,Fc1nc(OC2CCCCC2)ccc1-c1ccc2c(c1)CCN2C1CCN(C2CCC2)CC1,AUQNYWGZRPQVOF-UHFFFAOYSA-N
-rxn:4:207857:226844,CC1OC2(CC3CCC(C2)N3C(=O)c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)o2)CN(C)C1=O,ZVBAUJSBGZKVCM-UHFFFAOYSA-N
-rxn:4:207890:223712,COc1ccc(-c2cnn(CC34CC5CC(CC(C5)C3)C4)c2C)cc1C12CC3CC(CC(C3)C1)C2,GMGXNPHHRSNOAK-UHFFFAOYSA-N
-rxn:4:207890:224424,CCCC1CCC(c2ccc(-c3cnn(CC45CC6CC(CC(C6)C4)C5)c3C)cc2)CC1,ZJZADTXCJLKINJ-UHFFFAOYSA-N
-rxn:4:209037:223507,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccccc2-c2ncccc2N2CC(F)(F)C2)CC1,CJNAZGOSLPUSQF-UHFFFAOYSA-N
-rxn:4:209852:223492,Cc1cc(-c2cncc(N3CCCCC3C)c2)ccc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,MFYRQBDRUCRFDH-UHFFFAOYSA-N
-rxn:4:209896:223593,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnn(C4CCOC5(CCOCC5)C4)c3)cc2Cl)CC1,LVVNDVBILMVWQF-UHFFFAOYSA-N
-rxn:4:210681:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3ccc(C4=CSC5=NCCN45)cc3)c2Cl)CC1,DNQCTGOPDSDSFO-UHFFFAOYSA-N
-rxn:4:210681:223669,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc(C4=CSC5=NCCN45)cc3)cn2)CC1,YDDAHCDCHPGLKI-UHFFFAOYSA-N
-rxn:4:210693:223812,Cn1ncc(-c2cc(F)cc(CN3CCC4(CC3)OCCO4)c2)c1C12CCSCC1O2,QDFWRRGYJWJNCE-UHFFFAOYSA-N
-rxn:4:211059:223529,CN1C(=O)C2(c3ccccc31)N(c1ccc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)c(F)c3)cc1)C(=O)CS2(=O)=O,CBRIIQVFKJAWAL-UHFFFAOYSA-N
-rxn:4:212491:223919,CN1CCN2CCc3ccc(-c4ccc(C(=O)N(C)C5CCCCC5)c(Cl)c4)cc3C2C1,QWRNVCCNUGKOMC-UHFFFAOYSA-N
-rxn:4:212526:226844,N#CC1CCN(CCOc2ccc([N+](=O)[O-])cc2-c2ccnc(C(=O)C(F)(F)F)c2)CC1,MBODXLZKEFDPLG-UHFFFAOYSA-N
-rxn:4:212529:226844,O=C(CCC(F)(F)F)N1CCC(Oc2ncc(-c3ccnc(C(=O)C(F)(F)F)c3)cn2)CC1,RNCAJICPWNBJFE-UHFFFAOYSA-N
-rxn:4:212542:222981,CCOCC(=O)N1CCCC(Oc2ncc(-c3ccnc(NC4CCCCC4)c3)cn2)C1,PWPLULPKDSREMK-UHFFFAOYSA-N
-rxn:4:212542:223044,CCOCC(=O)N1CCCC(Oc2ncc(-c3ccc(C(=O)NC(C)C)c(F)c3)cn2)C1,ZBOZVECADUPYCC-UHFFFAOYSA-N
-rxn:4:212547:224627,CCOCCN1CCC(Oc2ncc(-c3ccc(C(=O)N4CC(N(C)C)C4)cc3)cn2)CC1,UTXAXGORMSIPAB-UHFFFAOYSA-N
-rxn:4:212549:223179,CCOC(=O)N1CCN(C(C#N)c2cccc(-c3ccc(F)c(C(=O)NOC)c3)c2)CC1,OBZZJTRBRWSUMR-UHFFFAOYSA-N
-rxn:4:212549:226844,CCOC(=O)N1CCN(C(C#N)c2cccc(-c3ccnc(C(=O)C(F)(F)F)c3)c2)CC1,HWLOXBXAHLEYKO-UHFFFAOYSA-N
-rxn:4:212568:223179,CONC(=O)c1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)ccc1F,FLYKIKJAIDIWOZ-UHFFFAOYSA-N
-rxn:4:212568:223279,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cnc(C3CCCN3)nc2)cc1,BSHPSHWLUFPZJN-UHFFFAOYSA-N
-rxn:4:212568:226844,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1,NHFUDJKBKYOSFI-UHFFFAOYSA-N
-rxn:4:212569:223179,CONC(=O)c1cc(-c2cnn(CC3CN(C(=O)CSC4CCCC4)C3)c2)ccc1F,NTNZDCWRNDPGMJ-UHFFFAOYSA-N
-rxn:4:212607:223047,CCC(CC)C(=O)N1CCC(Oc2ncc(-c3cc(F)cc(C(=O)NC4CC4)c3)cn2)CC1,ATEZPPQOPMFYPO-UHFFFAOYSA-N
-rxn:4:212622:225348,COC(=O)c1ccc(C(F)(F)F)cc1-c1cnc(OCC2CCCN(C(=O)Cc3ccc(F)cc3)C2)nc1,RDIIKSULJLXAMY-UHFFFAOYSA-N
-rxn:4:212629:226844,O=C(c1cncc(-c2ccnc(C(=O)C(F)(F)F)c2)c1)N1CCC(COc2cccc(C(F)(F)F)n2)CC1,ORBBWIVPEZBRJP-UHFFFAOYSA-N
-rxn:4:212631:226844,O=C(c1cncc(-c2ccnc(C(=O)C(F)(F)F)c2)c1)N1CCC(COc2ncccc2C(F)(F)F)CC1,IYFOZWOPEVPHGD-UHFFFAOYSA-N
-rxn:4:212634:226844,Cn1cc(-c2ccnc(C(=O)C(F)(F)F)c2)c(CN(C(=O)OC(C)(C)C)C2CCCC2)n1,UEKGVAQFLAGKRY-UHFFFAOYSA-N
-rxn:4:212635:226844,Cn1ncc(-c2ccnc(C(=O)C(F)(F)F)c2)c1CN(C(=O)OC(C)(C)C)C1CCCC1,HGGVDWGKHVATKH-UHFFFAOYSA-N
-rxn:4:212637:223179,CONC(=O)c1cc(-c2ccc(C(=O)N(C)C3CCN(C(=O)OC(C)(C)C)C3)cn2)ccc1F,YHQGMUNNXMPFQY-UHFFFAOYSA-N
-rxn:4:212639:226792,CC(C)(C)OC(=O)N1CCN(C(=O)Cc2cncc(-c3cnc(N4CCOCC4)nc3)c2)CC1,NZAAXAIYFXZKLL-UHFFFAOYSA-N
-rxn:4:212639:226844,CC(C)(C)OC(=O)N1CCN(C(=O)Cc2cncc(-c3ccnc(C(=O)C(F)(F)F)c3)c2)CC1,ULCSARNLQUIGNL-UHFFFAOYSA-N
-rxn:4:212641:222750,COCCN1C(=O)CN(C2CCN(C(=O)c3ccc(-c4ccc(C(=O)NCc5ccco5)cc4)o3)CC2)C1=O,DTWPHKNQGZLHKF-UHFFFAOYSA-N
-rxn:4:212641:223279,COCCN1C(=O)CN(C2CCN(C(=O)c3ccc(-c4cnc(C5CCCN5)nc4)o3)CC2)C1=O,HXICQLILBJKGIS-UHFFFAOYSA-N
-rxn:4:212649:222903,CCC(C)(C)C(=O)N1CCCC(COc2ncc(-c3ccc(C(=O)NCCOC)cc3Cl)cn2)C1,ILUIQRULRZPKSD-UHFFFAOYSA-N
-rxn:4:212649:224759,CCC(C)(C)C(=O)N1CCCC(COc2ncc(-c3cc(F)cc(C(=O)N4CCOCC4)c3)cn2)C1,WUYHTNWFYHPVHW-UHFFFAOYSA-N
-rxn:4:212651:226844,CC(C)(C)OC(=O)N1CCN(Cc2cc([N+](=O)[O-])ccc2-c2ccnc(C(=O)C(F)(F)F)c2)CC1,UQHZTYMLEBYZCB-UHFFFAOYSA-N
-rxn:4:212653:226844,COC(=O)c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)c(-c2ccnc(C(=O)C(F)(F)F)c2)n1,XPHDLMNKBUWYAR-UHFFFAOYSA-N
-rxn:4:212656:225947,COC(=O)c1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)c(-c2cnc(N3CCN(C)CC3)nc2)c1,VJTGQTRYZHZUMB-UHFFFAOYSA-N
-rxn:4:212667:222723,COc1ccc(S(=O)(=O)N2CCCC(COc3ncc(-c4cccc(NS(=O)(=O)N5CCOCC5)c4)cn3)C2)cc1,HPHBEOQTHKNJJV-UHFFFAOYSA-N
-rxn:4:212668:224969,CCOc1ccccc1S(=O)(=O)N1CCC(Oc2ncc(-c3ccc(C(=O)OC(C)(C)C)c(C)c3)cn2)CC1,VLZVGDWKMHQQPR-UHFFFAOYSA-N
-rxn:4:212675:226844,COc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)c(-c2ccnc(C(=O)C(F)(F)F)c2)cc1[N+](=O)[O-],GSHGMCWZBSEXGB-UHFFFAOYSA-N
-rxn:4:212680:224718,Cc1ccc(OCC2CCN(C(=O)Cc3ccc(F)cc3-c3ccc(OCCN4CCOCC4)nc3)CC2)nn1,YIQXSQPXWRUOOH-UHFFFAOYSA-N
-rxn:4:212685:223279,COC(=O)c1ccc(N2CCN(S(=O)(=O)c3ccc(-c4cnc(C5CCCN5)nc4)cc3)CC2)c([N+](=O)[O-])c1,XLZDQUZVWITLKP-UHFFFAOYSA-N
-rxn:4:212690:223279,Cn1ncc(-c2cnc(C3CCCN3)nc2)c1CN(C(=O)OC(C)(C)C)C1CCCCC1,HHHLPHGNLQFYSH-UHFFFAOYSA-N
-rxn:4:212693:226844,CC1CN(C(=O)OC(C)(C)C)CCN1C(=O)Cc1cncc(-c2ccnc(C(=O)C(F)(F)F)c2)c1,ZLVMGWMZADJEKT-UHFFFAOYSA-N
-rxn:4:212695:226844,Cn1ccnc1S(=O)(=O)C1CCN(C(=O)CCc2ccccc2-c2ccnc(C(=O)C(F)(F)F)c2)CC1,CELCGKFHILBXDQ-UHFFFAOYSA-N
-rxn:4:212704:226844,CN(CC1CCN(C(=O)OC(C)(C)C)CC1)c1cccc(-c2ccnc(C(=O)C(F)(F)F)c2)n1,QXICKDXZUZMCKF-UHFFFAOYSA-N
-rxn:4:212709:226844,CCOC(=O)c1c(-c2ccnc(C(=O)C(F)(F)F)c2)c(CN2CCC(=Cc3ccccc3)CC2)nn1C,CKGGPYRFMIRTBL-UHFFFAOYSA-N
-rxn:4:212721:223279,CC(C)C(=O)N1CCN(c2cc(C(=O)OC(C)(C)C)cc(-c3cnc(C4CCCN4)nc3)n2)CC1,AXIUXBVHHGRNSR-UHFFFAOYSA-N
-rxn:4:212721:224345,CC(C)C(=O)N1CCN(c2cc(C(=O)OC(C)(C)C)cc(-c3cc(-c4ccccn4)cc(C(F)(F)F)c3)n2)CC1,OAFHNJKYYBRFBU-UHFFFAOYSA-N
-rxn:4:212722:223179,CONC(=O)c1cc(-c2ccc(CN(C(=O)N3CCN(C)CC3)S(=O)(=O)c3ccc(C)cc3)cc2)ccc1F,PRPZDZUJNKHZOR-UHFFFAOYSA-N
-rxn:4:212722:226844,Cc1ccc(S(=O)(=O)N(Cc2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2)C(=O)N2CCN(C)CC2)cc1,MGWQDPUBBSHATF-UHFFFAOYSA-N
-rxn:4:212725:226844,CC(C)(C)c1ccc(OCC2CCN(C(=O)c3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3)CC2)nn1,YMJOIXWYDBXZJP-UHFFFAOYSA-N
-rxn:4:212736:223279,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cnc(C4CCCN4)nc3)cc2N2CCCC2)CC1,CBXYFFOXOIOWSS-UHFFFAOYSA-N
-rxn:4:212737:223279,CC(C)(C)OC(=O)N1CCN(c2cc(CN3CCOCC3)cc(-c3cnc(C4CCCN4)nc3)c2)CC1,FNBKYJJRKVLAEL-UHFFFAOYSA-N
-rxn:4:212738:223279,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cnc(C4CCCN4)nc3)cc2N2CCOCC2)CC1,CYKJCQREZQHLFO-UHFFFAOYSA-N
-rxn:4:212739:223279,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cnc(C4CCCN4)nc3)cc2N2CCCCC2)CC1,SNGIMVHCJAHNSZ-UHFFFAOYSA-N
-rxn:4:212740:223279,CC(C)(C)OC(=O)N1CCN(c2cc(CN3CCCCC3)cc(-c3cnc(C4CCCN4)nc3)c2)CC1,NLDFPXCHDYMERM-UHFFFAOYSA-N
-rxn:4:212741:223279,CC1CN(Cc2ccc(-c3cnc(C4CCCN4)nc3)cc2N2CCCC2)CCN1C(=O)OC(C)(C)C,KBZDRFIOCXXCHK-UHFFFAOYSA-N
-rxn:4:212742:223279,CC1CN(C(=O)OC(C)(C)C)CCN1Cc1ccc(-c2cnc(C3CCCN3)nc2)cc1N1CCCC1,NHJNPDXFXGPBCP-UHFFFAOYSA-N
-rxn:4:212743:223279,CC(C)(C)OC(=O)N1CCC(CN2CCN(c3ccc(-c4cnc(C5CCCN5)nc4)cc3)CC2)CC1,MZYRTGRRQGHKBL-UHFFFAOYSA-N
-rxn:4:212743:228360,CC(C)c1ncc(-c2ccc(N3CCN(CC4CCN(C(=O)OC(C)(C)C)CC4)CC3)cc2)c(Cl)n1,ZXWIGAHJMPKHOS-UHFFFAOYSA-N
-rxn:4:212744:223279,CC(C)(C)OC(=O)N1CCN(c2cc(CN3CCC(F)(F)CC3)cc(-c3cnc(C4CCCN4)nc3)c2)CC1,IRZBALHWFNZTNJ-UHFFFAOYSA-N
-rxn:4:212744:223625,Cc1cc(C(C)(C)C)ccc1OCc1ccc(-c2cc(CN3CCC(F)(F)CC3)cc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1,VBLLJCCGGDGENN-UHFFFAOYSA-N
-rxn:4:212748:223279,CC1CN(c2cc(CN3CCCCC3)cc(-c3cnc(C4CCCN4)nc3)c2)CCN1C(=O)OC(C)(C)C,URSUMYSVKRWADV-UHFFFAOYSA-N
-rxn:4:212760:222394,COC(=O)Cn1c(=NC(=O)c2ccccc2-c2ccc(C(=O)N[C@H]3CC[C@H](O)CC3)cc2)sc2cc([N+](=O)[O-])ccc21,WELRYYXZKVFQLA-AQYVVDRMSA-N
-rxn:4:212768:226844,CCOC(=O)c1nc(-c2ccnc(C(=O)C(F)(F)F)c2)n2c1CN(C(=O)OC(C)(C)C)CC2,OCFDKVGZWZODPU-UHFFFAOYSA-N
-rxn:4:212770:225564,CCOC(=O)c1nn2c(c1-c1cccc(C(C)(C)C(=O)OC)c1)CN(C(=O)OC(C)(C)C)CC2,FFEWVOFWOYXXOF-UHFFFAOYSA-N
-rxn:4:212770:226844,CCOC(=O)c1nn2c(c1-c1ccnc(C(=O)C(F)(F)F)c1)CN(C(=O)OC(C)(C)C)CC2,QUJGMYJPPAETPR-UHFFFAOYSA-N
-rxn:4:212778:226844,Cn1c(=NC(=O)CSCC(=O)N2CCCC2)sc2cc(-c3ccnc(C(=O)C(F)(F)F)c3)ccc21,BLYNGTSCCKAMGF-UHFFFAOYSA-N
-rxn:4:212783:226844,CCOC(=O)N1CCN(C(=O)Cn2ccc3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc32)CC1,SXWSSXXNYVKXCW-UHFFFAOYSA-N
-rxn:4:212784:223179,CCOC(=O)N1CCN(C(=O)Cn2ccc3cc(-c4ccc(F)c(C(=O)NOC)c4)ccc32)CC1,BIHJDQSINPRDAW-UHFFFAOYSA-N
-rxn:4:212798:223179,CONC(=O)c1cc(-c2ccc(COc3cccc4c3C(=O)N(N(C)c3ncc(C(F)(F)F)cc3Cl)C4=O)cc2)ccc1F,KQLBGUZCAUYNNK-UHFFFAOYSA-N
-rxn:4:212798:226844,CN(c1ncc(C(F)(F)F)cc1Cl)N1C(=O)c2cccc(OCc3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3)c2C1=O,JJAXYJONMGNKBG-UHFFFAOYSA-N
-rxn:4:212823:226844,COc1ccc(S(=O)(=O)N2CCN(C(=O)Cn3ccc4cc(-c5ccnc(C(=O)C(F)(F)F)c5)ccc43)CC2)cc1,SIQYHOPVCCAHFT-UHFFFAOYSA-N
-rxn:4:212824:223179,CONC(=O)c1cc(-c2ccc3nc(N4CCN(C(=O)c5cc(OC)c(OC)c(OC)c5)CC4)sc3c2)ccc1F,UMLQHGLGFIWZOU-UHFFFAOYSA-N
-rxn:4:212824:226844,COc1cc(C(=O)N2CCN(c3nc4ccc(-c5ccnc(C(=O)C(F)(F)F)c5)cc4s3)CC2)cc(OC)c1OC,BYGWPAUUJKGGRH-UHFFFAOYSA-N
-rxn:4:212827:226844,CN(C(=O)OC(C)(C)C)C1CCN(C(=O)c2cc3cc(-c4ccnc(C(=O)C(F)(F)F)c4)ccc3[nH]2)CC1,PEXSUNAMIDIBOY-UHFFFAOYSA-N
-rxn:4:212829:223279,CN(C(=O)c1cc2cc(-c3cnc(C4CCCN4)nc3)ccc2[nH]1)C1CCN(C(=O)OC(C)(C)C)CC1,KHLNMOXJAFBFJO-UHFFFAOYSA-N
-rxn:4:212830:223279,CN(C(=O)c1cc2cc(-c3cnc(C4CCCN4)nc3)ccc2[nH]1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1,TUALYWYOCNVBQL-FKHAVUOCSA-N
-rxn:4:212888:223885,CN(Cc1ncc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3)cn1)C(=O)OC(C)(C)C,CITGZGSNEAYPLY-UHFFFAOYSA-N
-rxn:4:212888:224082,CCC(C(=O)OC(C)(C)C)c1cccc(-c2cnc(CN(C)C(=O)OC(C)(C)C)nc2)c1,YAYWJTOWSAKCLV-UHFFFAOYSA-N
-rxn:4:212904:223787,Cc1cc(-c2ccc(OCCCN3CCN(C)CC3)c(F)c2)cnc1C(=O)N(C)CCN(C)C,LWICKNBPKMUPMU-UHFFFAOYSA-N
-rxn:4:212909:225891,COc1cc(-c2cnc(OCC3CCCN(CC(F)(F)F)C3)nc2)cnc1C(OC)OC,PAMHFJQRRNIDOG-UHFFFAOYSA-N
-rxn:4:212923:222919,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc(C3(C#N)CN(C(=O)OC(C)(C)C)C3)nc2)cc1,RVTLPDBBNUXLMQ-UHFFFAOYSA-N
-rxn:4:212943:224616,CCOC(=O)N1CCN(c2ncc(-c3ccccc3OCCN3CCOCC3)cc2C(F)(F)F)CC1,CTTZRAFYNATIPH-UHFFFAOYSA-N
-rxn:4:212948:224064,CC1CCCCN1c1cc(-c2ccc(S(=O)(=O)N3CCN=C3SCc3cccnc3)cc2)cc(C2CC2)c1,PZUDDMVSHYUVOV-UHFFFAOYSA-N
-rxn:4:212966:223593,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(OC4CCN(C(=O)OC(C)(C)C)C4)nc3)cc2Cl)CC1,YOZNXOZWABWJMN-UHFFFAOYSA-N
-rxn:4:212988:223080,CC(C)NS(=O)(=O)c1ccc(-c2nc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cs2)cc1,AXXWXNXMPBKOEP-UHFFFAOYSA-N
-rxn:4:212989:223179,CONC(=O)c1cc(-c2ncc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)s2)ccc1F,NNFUZJWUQAUTMF-UHFFFAOYSA-N
-rxn:4:212993:223179,CCOC(=O)C1(C)CCN(C(=O)c2ncc(-c3ccc(F)c(C(=O)NOC)c3)cn2)CC1,IROAZWRPSSOAKV-UHFFFAOYSA-N
-rxn:4:213002:226844,O=C(CN1C(=O)CCC1=O)N1CCC(Oc2ccncc2-c2ccnc(C(=O)C(F)(F)F)c2)C1,XJZLSSMLFSFWAB-UHFFFAOYSA-N
-rxn:4:213010:223179,CONC(=O)c1cc(-c2cnn(C[C@@H]3CN(C(=O)OC(C)(C)C)CCO3)c2)ccc1F,ZZIOBJFKMILPJD-INIZCTEOSA-N
-rxn:4:213011:222631,CC(C)C(=O)N1CCCC(COc2ncc(-c3cc(C4CCNCC4)nc(C(C)(C)C)c3)cn2)C1,IWXIWTUPJSVXBG-UHFFFAOYSA-N
-rxn:4:213038:227212,CCCCOc1ncccc1-c1c[nH]c(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1,BNZIAGUZNVQQTL-UHFFFAOYSA-N
-rxn:4:213041:226844,CC(C)(C)OC(=O)N1CCC(Oc2cnc(-c3ccnc(C(=O)C(F)(F)F)c3)cn2)CC1,VDKFIKGBULRDNP-UHFFFAOYSA-N
-rxn:4:213042:226844,CC(C)(C)OC(=O)N1CCCC(Oc2cnc(-c3ccnc(C(=O)C(F)(F)F)c3)cn2)C1,OQVQRSPILCOWNW-UHFFFAOYSA-N
-rxn:4:213043:226844,CC(C)(C)OC(=O)N1CCCC(Oc2ncc(-c3ccnc(C(=O)C(F)(F)F)c3)cn2)C1,ATZKNYWONIQYGT-UHFFFAOYSA-N
-rxn:4:213044:226844,CC(C)(C)OC(=O)N1CCC(Oc2ncc(-c3ccnc(C(=O)C(F)(F)F)c3)cn2)CC1,ARDWZLGTQRXIHD-UHFFFAOYSA-N
-rxn:4:213052:226844,O=C(C1CC(F)(F)C1)N1CCC(COc2ncc(-c3ccnc(C(=O)C(F)(F)F)c3)cn2)CC1,AGYCRUYETNNYFE-UHFFFAOYSA-N
-rxn:4:213053:226844,O=C(C1CC(F)(F)C1)N1CCCC(COc2ncc(-c3ccnc(C(=O)C(F)(F)F)c3)cn2)C1,QBBNMXACPQQMET-UHFFFAOYSA-N
-rxn:4:213066:223179,CONC(=O)c1cc(-c2ccc(C(=O)N3CCC(N4CC(=O)N(CC(F)(F)F)C4=O)CC3)o2)ccc1F,IBKOSPTWLIZEPG-UHFFFAOYSA-N
-rxn:4:213070:223179,CONC(=O)c1cc(-c2cnn(CC3CCN(C(=O)OC(C)(C)C)CC3)c2)ccc1F,NJFFXGCYTSSHKX-UHFFFAOYSA-N
-rxn:4:213071:223179,CONC(=O)c1cc(-c2ccn(CC3CCN(C(=O)OC(C)(C)C)CC3)n2)ccc1F,NECNMWMPJTYFMD-UHFFFAOYSA-N
-rxn:4:213073:223179,CONC(=O)c1cc(-c2ccnn2CC2CCN(C(=O)OC(C)(C)C)CC2)ccc1F,IASBAUWMKKKTBM-UHFFFAOYSA-N
-rxn:4:213073:226844,CC(C)(C)OC(=O)N1CCC(Cn2nccc2-c2ccnc(C(=O)C(F)(F)F)c2)CC1,KNUBMXKMMMOIFV-UHFFFAOYSA-N
-rxn:4:213074:223179,CONC(=O)c1cc(-c2nccn2CC2CCN(C(=O)OC(C)(C)C)CC2)ccc1F,VWWOVNNOTFDKDE-UHFFFAOYSA-N
-rxn:4:213075:223279,CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(-c3cnc(C4CCCN4)nc3)n2)CC1,OEJTXRHIKDMMFC-UHFFFAOYSA-N
-rxn:4:213076:224485,CC(C)N(C(C)C)S(=O)(=O)c1ccc(-n2cc(-c3ccn([Si](C(C)C)(C(C)C)C(C)C)c3)cn2)cc1,INNPWYQZRRYJKL-UHFFFAOYSA-N
-rxn:4:213079:223078,CCNS(=O)(=O)c1ccc(-c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cn2)c(C)c1,GYEOEWTVOBCMQE-UHFFFAOYSA-N
-rxn:4:213080:222809,CC(C)(C)OC(=O)Nc1cnc(Cl)cc1-c1cncc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1,SBYHAHKGXCNLSM-UHFFFAOYSA-N
-rxn:4:213088:226844,CC(C)(C)OC(=O)N1CCN(c2cccc(-c3ccnc(C(=O)C(F)(F)F)c3)c2C#N)CC1,SRKRPNGYUUOXSN-UHFFFAOYSA-N
-rxn:4:213092:226844,CC(C)(C)OC(=O)N1CCN(c2ccc(C#N)c(-c3ccnc(C(=O)C(F)(F)F)c3)c2)CC1,KJRVZITYDRDSKK-UHFFFAOYSA-N
-rxn:4:213095:226844,CC(C)(C)OC(=O)N1CCN(c2ccc(C#N)cc2-c2ccnc(C(=O)C(F)(F)F)c2)CC1,SUIMUEXRJALJMU-UHFFFAOYSA-N
-rxn:4:213096:226844,CC(C)(C)OC(=O)N1CCN(c2cc(-c3ccnc(C(=O)C(F)(F)F)c3)ccc2C#N)CC1,RFWJCRGEULTFLD-UHFFFAOYSA-N
-rxn:4:213126:225593,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cc(F)cc(CN4CCCC4)c3)nc2)CC1,QPJKGGPUQLPJCP-UHFFFAOYSA-N
-rxn:4:213126:226844,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)nc2)CC1,SEAICPQXQZBEPO-UHFFFAOYSA-N
-rxn:4:213127:223776,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3ccc4c(c3)CN(C(=O)OC(C)(C)C)CCO4)ccn2)CC1,OXTVUCRQUGBDLX-UHFFFAOYSA-N
-rxn:4:213131:223958,CCN1CCN(C(=O)c2ccc(-c3cnc(OCC4CCN(C(=O)C(C)(C)C)CC4)nc3)cc2F)CC1,QILCHLXNZUYVCI-UHFFFAOYSA-N
-rxn:4:213134:223179,CCC(C)(C)C(=O)N1CCC(Oc2ncc(-c3ccc(F)c(C(=O)NOC)c3)cn2)CC1,FLTPMDKKQBVLLF-UHFFFAOYSA-N
-rxn:4:213134:226844,CCC(C)(C)C(=O)N1CCC(Oc2ncc(-c3ccnc(C(=O)C(F)(F)F)c3)cn2)CC1,ZAWSPZMEOQUUBB-UHFFFAOYSA-N
-rxn:4:213136:223179,CONC(=O)c1cc(-c2cnc(OCC3CCCN(CC4CCCO4)C3)nc2)ccc1F,VVGRLCBSEFANKX-UHFFFAOYSA-N
-rxn:4:213136:226844,O=C(c1cc(-c2cnc(OCC3CCCN(CC4CCCO4)C3)nc2)ccn1)C(F)(F)F,BOSAGAFAQFYPKA-UHFFFAOYSA-N
-rxn:4:213140:223279,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cnc(C4CCCN4)nc3)cc([N+](=O)[O-])c2)CC1,HKCFWWNCHTYRFX-UHFFFAOYSA-N
-rxn:4:213140:223932,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cc4c(Cl)cccc4n3C(=O)OC(C)(C)C)cc([N+](=O)[O-])c2)CC1,DVULSNVXQUZRKQ-UHFFFAOYSA-N
-rxn:4:213140:225368,CC(C)(C)OC(=O)N1CCN(c2cc(-c3ccc4c(c3)OC(F)(F)C(F)(F)O4)cc([N+](=O)[O-])c2)CC1,SSXAXFAGLMTRCN-UHFFFAOYSA-N
-rxn:4:213144:226844,CC(C)(C)OC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2-c2ccnc(C(=O)C(F)(F)F)c2)CC1,OQTJONIAUFVAHX-UHFFFAOYSA-N
-rxn:4:213147:226844,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cncc(-c3ccnc(C(=O)C(F)(F)F)c3)c2)CC1,ZEARYLFGDQVGGA-UHFFFAOYSA-N
-rxn:4:213150:223179,CONC(=O)c1cc(-c2ccc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)nc2)ccc1F,KVNGVVYFZACJFF-UHFFFAOYSA-N
-rxn:4:213150:226844,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cn2)CC1,MWQOAIROHIVGHE-UHFFFAOYSA-N
-rxn:4:213151:224275,CC(C)(C)OC(=O)N1CCN(c2cc(-c3nn(C(=O)OC(C)(C)C)c4ccccc34)cc(F)c2[N+](=O)[O-])CC1,AFTUQKYYKDLMDP-UHFFFAOYSA-N
-rxn:4:213164:227318,CC(C)Cc1ncc(-c2cnc(OCC3CCCN(C(=O)C4CCCC4)C3)nc2)cc1Cl,FDFHXLDHSGRLAM-UHFFFAOYSA-N
-rxn:4:213165:224129,COc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1-c1cccc(C(=O)N(C)C2CCCCC2)c1,XAIXIQNBZFNYAM-UHFFFAOYSA-N
-rxn:4:213180:225172,Cc1cc(C(=O)N2CCC(COc3ncc(-c4cc(CN5CCOCC5)ccc4F)cn3)CC2)c(C)o1,BQNOMZHHTJLDPX-UHFFFAOYSA-N
-rxn:4:213181:223902,Cc1cccc(CC(=O)N2CCC(Oc3ncc(-c4ccc(OCCN5CCC(C)CC5)c(F)c4)cn3)CC2)c1,JBYKTRCFTPHDPM-UHFFFAOYSA-N
-rxn:4:213188:226844,O=C(c1ccccc1-c1ccnc(C(=O)C(F)(F)F)c1)N1CCC(N2CC(=O)N(CC(F)(F)F)C2=O)CC1,ANVGEMXJSYAVOA-UHFFFAOYSA-N
-rxn:4:213191:223179,CONC(=O)c1cc(-c2ccc(C(=O)N3CCCN(C(=O)OC(C)(C)C)CC3)cn2)ccc1F,AHXLPOIRTRGEIJ-UHFFFAOYSA-N
-rxn:4:213195:223279,O=C(C1CCOCC1)N1CCC(COc2ncc(-c3cnc(C4CCCN4)nc3)cn2)CC1,MHFXULKDZPRWFO-UHFFFAOYSA-N
-rxn:4:213196:223279,O=C(C1CCOCC1)N1CCCC(COc2ncc(-c3cnc(C4CCCN4)nc3)cn2)C1,YSWNUPSDKCJIAF-UHFFFAOYSA-N
-rxn:4:213201:222847,Cc1cc(OCC2CCN(S(=O)(=O)c3ccccc3-c3cc(C#N)cc(C4CCCNC4)c3)CC2)ncn1,NJODCWXSCFCXHN-UHFFFAOYSA-N
-rxn:4:213201:224328,Cc1cc(OCC2CCN(S(=O)(=O)c3ccccc3-c3cccc(S(=O)(=O)N4CCCCC4C)c3)CC2)ncn1,TUFLDUMQCMDGAB-UHFFFAOYSA-N
-rxn:4:213213:225905,CON(C)C(=O)c1ccc(-c2cccc(N(C)C3CCN(C(=O)OC(C)(C)C)CC3)n2)c(Cl)c1,VVRYILASKZJVOW-UHFFFAOYSA-N
-rxn:4:213220:226773,COC(=O)c1c(Cl)ccc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)C(C)C3)c([N+](=O)[O-])c2)c1F,HETUPXDDIVZNFG-UHFFFAOYSA-N
-rxn:4:213224:224965,CC(C)(C)OC(=O)N1CCC[C@H]1c1nc(-c2cccc(-c3cccc(OCC4CCOCC4)c3)c2)c[nH]1,ISEZXIPDERYARB-MHZLTWQESA-N
-rxn:4:213228:223609,CC1CN(S(=O)(=O)c2cncc(-c3cc4c(c5ccccc35)-c3ccccc3C4(C)C)c2)CCN1C(=O)OC(C)(C)C,WHFAAOQMTMGSFE-UHFFFAOYSA-N
-rxn:4:213244:223279,FC(F)(F)CN1CCN(Cc2ccc(-c3cnc(C4CCCN4)nc3)cc2N2CCCC2)CC1,BLKYQBPAXWHTOK-UHFFFAOYSA-N
-rxn:4:213244:226844,O=C(c1cc(-c2ccc(CN3CCN(CC(F)(F)F)CC3)c(N3CCCC3)c2)ccn1)C(F)(F)F,MBMHQPKXXRANLL-UHFFFAOYSA-N
-rxn:4:213250:225003,COc1cc(N2CCCCC2)ccc1-c1cnc(OC2CCN(C(=O)c3ccc(C(C)(C)C)cc3)C2)nc1,AHQNCXMBCOOPIZ-UHFFFAOYSA-N
-rxn:4:213258:225157,Cc1nn(CC2CCCN(C(=O)OC(C)(C)C)C2)c(C)c1-c1cccc(C(=O)N2CCSCC2)c1,FTACJCOKFHZZGL-UHFFFAOYSA-N
-rxn:4:213263:225294,CCN1CCN(c2ncc(-c3cccc(C(=S)N4CCN(C(=S)c5ccc(N(C)C)cc5)CC4)c3)cn2)CC1,VCCUZWDYWKADPQ-UHFFFAOYSA-N
-rxn:4:213265:226844,O=C(c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)o1)N1CCC(N2CCC(Oc3nccs3)CC2)CC1,SAPAIOPRGKVVDQ-UHFFFAOYSA-N
-rxn:4:213268:225947,C[C@H]1C[C@@H](c2nc(-c3ccc(-c4cnc(N5CCN(C)CC5)nc4)cc3)c[nH]2)N(C(=O)OC(C)(C)C)C1,PDILEDORILRSDR-CYFREDJKSA-N
-rxn:4:213272:223179,CONC(=O)c1cc(-c2ccc(OC3CCN(C(=O)c4ccc(N5CCOCC5)cc4)C3)nc2)ccc1F,KCXOGRUIPJFGMX-UHFFFAOYSA-N
-rxn:4:213272:226844,O=C(c1ccc(N2CCOCC2)cc1)N1CCC(Oc2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cn2)C1,BLBDIMQIDHBKDW-UHFFFAOYSA-N
-rxn:4:213273:226844,O=C(c1ccc(N2CCOCC2)cc1)N1CCC(Oc2ccncc2-c2ccnc(C(=O)C(F)(F)F)c2)C1,OQTIDQLMYKRIEW-UHFFFAOYSA-N
-rxn:4:213282:223179,CONC(=O)c1cc(-c2cccc(N3CC(C(=O)N4CCC(Oc5ccncc5)CC4)CC3=O)c2)ccc1F,YZGUFJZXBQNFPF-UHFFFAOYSA-N
-rxn:4:213282:226844,O=C(C1CC(=O)N(c2cccc(-c3ccnc(C(=O)C(F)(F)F)c3)c2)C1)N1CCC(Oc2ccncc2)CC1,FNNCWVMKSACCGD-UHFFFAOYSA-N
-rxn:4:213289:223279,CC(C)(C)OC(=O)N1CCC(c2nc(C(C)(C)C)ncc2-c2cnc(C3CCCN3)nc2)CC1,JIDWLGGVJYYKDP-UHFFFAOYSA-N
-rxn:4:213290:226844,O=C(c1cc(-c2cnc(OC3CCCN(C(=O)C4(c5ccccc5)CCOCC4)C3)nc2)ccn1)C(F)(F)F,KHFHEGUXLNEVRA-UHFFFAOYSA-N
-rxn:4:213291:226844,CC(C)(C)c1ccc(=O)n(C2CCN(C(=O)Cc3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3)CC2)n1,CYPKBGJXSPHZNY-UHFFFAOYSA-N
-rxn:4:213292:223279,O=C1CC(N2CCN(CC=Cc3ccccc3)CC2)C(=O)N1c1ccc(-c2cnc(C3CCCN3)nc2)cc1,UUDJGYZBFRKTHK-UHFFFAOYSA-N
-rxn:4:213292:226844,O=C1CC(N2CCN(CC=Cc3ccccc3)CC2)C(=O)N1c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1,WRSSNCHSGOSIBW-UHFFFAOYSA-N
-rxn:4:213334:223585,COc1ccc(CN(C)S(=O)(=O)c2ccccc2-c2ccc(C(=O)N3CCN(c4nc5ccc(OC(F)(F)F)cc5s4)CC3)o2)cc1,UKCWESJRTKEQQE-UHFFFAOYSA-N
-rxn:4:213336:227064,COC(=O)c1nc(-c2ccccc2OC(C)(C)C)n2c1CCN(C(=O)OC(C)(C)C)CC2,TVBOWOKKUUXYDV-UHFFFAOYSA-N
-rxn:4:213354:225050,CC1CCN(c2cc(F)cc(-c3ccc(CN4CC5CC(C4)N5C(=O)OC(C)(C)C)nc3)c2)CC1,RBZIGKGNFGJXLV-UHFFFAOYSA-N
-rxn:4:213355:226844,CC(C)CS(=O)(=O)C1CN(C(=O)c2c3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3nn2C)C1,SLFVVJISCSUCGG-UHFFFAOYSA-N
-rxn:4:213395:224485,CC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2ccc3ccn(CC(=O)N4CCN(S(=O)(=O)c5ccc(F)cc5)CC4)c3c2)c1,YMRYACZMBDOIBR-UHFFFAOYSA-N
-rxn:4:213421:226844,O=C(Cc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1)N1CCC(Cn2nc3c(cc2=O)CCC3)CC1,PKSFOGFWFRGKKT-UHFFFAOYSA-N
-rxn:4:213423:222707,CC(C)CCn1c(C2CC(=O)N(c3ccc(-c4ccnc(CNC(=O)OC(C)(C)C)c4F)cc3)C2)nc2ccccc21,JGKVCAZFKBPJDV-UHFFFAOYSA-N
-rxn:4:213424:226844,O=C(c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1)N1CCC(COc2cc3c(nn2)CCCC3)CC1,HCTNVMPIIJDQRF-UHFFFAOYSA-N
-rxn:4:213427:224992,O=C1CCN(Cc2ccccc2-c2ccc(-n3c(SCC(=O)N4CCCc5ccccc54)nc4c(c3=O)SCC4)cc2)CC1,WDQAAHJQOMGAHT-UHFFFAOYSA-N
-rxn:4:213441:223179,CONC(=O)c1cc(-c2ccc3c(ccn3CC(=O)N3CCN(C(=O)C4COc5ccccc5O4)CC3)c2)ccc1F,QYPAGQMMVKJEEH-UHFFFAOYSA-N
-rxn:4:213441:223279,O=C(Cn1ccc2cc(-c3cnc(C4CCCN4)nc3)ccc21)N1CCN(C(=O)C2COc3ccccc3O2)CC1,DIDVPGJAVDIWFB-UHFFFAOYSA-N
-rxn:4:213453:226844,CC(C)C1N=C2c3ccccc3N=C(SCC(=O)c3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3)N2C1=O,LWJMEEOUNXMATK-UHFFFAOYSA-N
-rxn:4:213458:226844,COc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1[C@@H]1[C@@H](C(C)=O)N2c3ccccc3C=C[C@@H]2C1(C#N)C#N,NTBNKBXCCYNRMX-ZONZVBGPSA-N
-rxn:4:213471:223279,O=C1C2C3C=CC(C3)C2C(=O)N1CCN1CCN(S(=O)(=O)c2ccc(-c3cnc(C4CCCN4)nc3)cc2)CC1,TVGFMRXEEUMFPN-UHFFFAOYSA-N
-rxn:4:213471:226844,O=C1C2C3C=CC(C3)C2C(=O)N1CCN1CCN(S(=O)(=O)c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2)CC1,WPDXKLGKMOZWKB-UHFFFAOYSA-N
-rxn:4:213480:227469,COCC(C)(C)n1cc(-c2cncc(C(=O)OC[C@H]3CN(C)[C@@H]4Cc5c[nH]c6cccc(c56)[C@@]4(OC)C3)c2)cn1,SIWJIXDKYJUIQM-KEVCDPDLSA-N
-rxn:4:213631:224721,Cc1nn(CC(=O)OC(C)(C)C)c(C)c1-c1cnn(CC2CCCN(CC(F)F)C2)c1,OWHCXMUCBUDLMO-UHFFFAOYSA-N
-rxn:4:213653:226844,O=C(c1cncc(-c2ccnc(C(=O)C(F)(F)F)c2)c1)N1CC(CN2C(=O)COC2=O)C1,KODWWQYPIVJUHS-UHFFFAOYSA-N
-rxn:4:213672:225376,CCOC(=O)N1CCN(c2ncc(Cl)cc2-c2cc(F)c(F)c(OCC(F)(F)F)c2)CC1,NEXFIRSPHNGWDM-UHFFFAOYSA-N
-rxn:4:213692:223179,CONC(=O)c1cc(-c2cnn(C(C)C(=O)N3CCC(C(F)(F)F)CC3)c2)ccc1F,QVOWXQVGLFNEQP-UHFFFAOYSA-N
-rxn:4:213693:226844,CC(C(=O)N1CCCC(C(F)(F)F)C1)n1cc(-c2ccnc(C(=O)C(F)(F)F)c2)cn1,HYDTXDODRWFXTG-UHFFFAOYSA-N
-rxn:4:213713:225348,COC(=O)c1ccc(C(F)(F)F)cc1-c1cnc([C@@H]2CCCN2C(=O)OC(C)(C)C)[nH]1,WPXDGAPPDSHNPH-INIZCTEOSA-N
-rxn:4:213719:222936,CCC(=O)NS(=O)(=O)c1ccc(-c2cnn(C(C)C(=O)N3CCC(OC)CC3)c2)cc1,VMTAZTAWANKTOK-UHFFFAOYSA-N
-rxn:4:213757:225805,CC(c1ccc(-c2cccc(CC3CCN(S(=O)(=O)N(C)C)C3)n2)s1)N1CCOCC1,QCWKVPORWLRMKI-UHFFFAOYSA-N
-rxn:4:213778:222684,CCN1CCN(c2ccc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)c(C(=O)OC)n2)CC1,IWYIHJCCQVVZRL-UHFFFAOYSA-N
-rxn:4:213795:224917,Cc1cc(N2CCC(C)CC2)ccc1-c1cnn(CC2CN(CC3CCCOC3)C2)c1,DTEKQCSDQIBHCU-UHFFFAOYSA-N
-rxn:4:213803:225975,CC(C)(C)OC(=O)N1CCOCC1c1ncc(-c2ccnc(N3CCOCC3)c2Cl)cn1,FGDACYZPOIXGJF-UHFFFAOYSA-N
-rxn:4:213805:225898,CC(C)(C)OC(=O)N1CCOC(c2ncc(-c3cnn(CCN4CCOCC4)c3)cn2)C1,UNECGDJDVMLYPM-UHFFFAOYSA-N
-rxn:4:213843:226844,CC(C)(C)OC(=O)N1CCN(c2cc(-c3ccnc(C(=O)C(F)(F)F)c3)ccn2)C(=O)C1,VXFFBELRIYQNNI-UHFFFAOYSA-N
-rxn:4:213844:225883,CC(C)(C)OC(=O)N1CCN(c2cccc(-c3cnc(C4CCOCC4)c(Cl)c3)n2)C(=O)C1,OEDQTQRNBRECBZ-UHFFFAOYSA-N
-rxn:4:213846:226103,CCCOc1c(C)cc(-c2cccc(C(=O)N3CCN(S(=O)(=O)N(C)C)CC3)c2)cc1C,ACEPKPORAUWIBD-UHFFFAOYSA-N
-rxn:4:213849:223179,CONC(=O)c1cc(-c2cnc(OC3CCN(C(=O)C4CCCO4)CC3)nc2)ccc1F,ASYZJMXIGLRXIU-UHFFFAOYSA-N
-rxn:4:213849:226844,O=C(C1CCCO1)N1CCC(Oc2ncc(-c3ccnc(C(=O)C(F)(F)F)c3)cn2)CC1,VEVYXUBLSDZBBN-UHFFFAOYSA-N
-rxn:4:213868:223592,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(OC4CCCN(S(=O)(=O)c5cccc(Cl)c5)C4)nc3)c(Cl)c2)CC1,DZUMDIYHDDCPSD-UHFFFAOYSA-N
-rxn:4:213878:223179,CONC(=O)c1cc(-c2cnn(C3CC4(C3)CN(C(=O)OC(C)(C)C)C4)c2)ccc1F,JKQKZXPWVYHJIF-UHFFFAOYSA-N
-rxn:4:213878:226844,CC(C)(C)OC(=O)N1CC2(CC(n3cc(-c4ccnc(C(=O)C(F)(F)F)c4)cn3)C2)C1,TVZLTJRXJCJRSK-UHFFFAOYSA-N
-rxn:4:213882:226844,O=C(c1cc(-c2cnn(CC3CN(CC4CCS(=O)(=O)CC4)C3)c2)ccn1)C(F)(F)F,HYYABQZPEUUUSW-UHFFFAOYSA-N
-rxn:4:213883:223179,CONC(=O)c1cc(-c2sc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2C)ccc1F,JQRJQPIVIAIOCB-UHFFFAOYSA-N
-rxn:4:213901:223179,CONC(=O)c1cc(-c2ccc(Cl)nc2N2CCN(C(=O)OC(C)(C)C)CC2)ccc1F,OBHSLOAJCZXDKA-UHFFFAOYSA-N
-rxn:4:213901:226844,CC(C)(C)OC(=O)N1CCN(c2nc(Cl)ccc2-c2ccnc(C(=O)C(F)(F)F)c2)CC1,RUONRJBFNASWAK-UHFFFAOYSA-N
-rxn:4:213905:222695,Cc1ccc(-c2ccc(S(=O)(=O)N3CCC(Cn4ccnc4)CC3)cc2)cc1S(=O)(=O)NC1CCCC1,QAZINXIZCXMBKR-UHFFFAOYSA-N
-rxn:4:213925:223867,CC1CCN(CCCOc2cccc(-c3ccc(-c4ccc(=O)n(CC(=O)N5CCCCC5)n4)cc3)c2)CC1,DOSDIZNRNKYJFS-UHFFFAOYSA-N
-rxn:4:213931:224893,CC(C)(C)c1cc(-c2cc(C(F)(F)F)cnc2N2CCOC(C(=O)N3CCCC3)C2)cc(C(C)(C)C)n1,SFGFIPVKEHQDAN-UHFFFAOYSA-N
-rxn:4:213937:222751,COc1cc(N2CCN(S(=O)(=O)c3ccccc3-c3ccc(C)c(NC(=O)OC(C)(C)C)c3)CC2=O)ccn1,KXJKQVJKIRNTRL-UHFFFAOYSA-N
-rxn:4:213940:226844,Cn1ncc(-c2ccnc(C(=O)C(F)(F)F)c2)c1C1CCCN(C(=O)OC(C)(C)C)C1,VAQIFPVCYFJXEB-UHFFFAOYSA-N
-rxn:4:213941:223179,CONC(=O)c1cc(-c2cnn(C3CCN(C(=O)OC(C)(C)C)CC3)c2C)ccc1F,NZACBKZLNBGZBG-UHFFFAOYSA-N
-rxn:4:213942:224167,Cc1nn(C2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccc(CN(C)C(=O)OC(C)(C)C)cc1,JESYBGONGXEWEI-UHFFFAOYSA-N
-rxn:4:213950:223179,CONC(=O)c1cc(-c2cnc(OC3CCN(S(=O)(=O)C4CCCCC4)C3)nc2)ccc1F,CRFAIJCGJSLBKA-UHFFFAOYSA-N
-rxn:4:213950:226844,O=C(c1cc(-c2cnc(OC3CCN(S(=O)(=O)C4CCCCC4)C3)nc2)ccn1)C(F)(F)F,BTGNIXLHRJIJHZ-UHFFFAOYSA-N
-rxn:4:213954:226844,O=C1C(N2CCC(Oc3ccncc3-c3ccnc(C(=O)C(F)(F)F)c3)C2)CCN1C1CC1,CDMAMUBKUCVDPG-UHFFFAOYSA-N
-rxn:4:213955:225903,CON(C)C(=O)c1cc(-c2cnc(OC3CCN(C(=O)C4CC=CCC4)CC3)nc2)ccc1F,VBNKXLPBPRRBDO-UHFFFAOYSA-N
-rxn:4:213969:223179,CONC(=O)c1cc(-c2ccc(C(=O)N3CCC(N4CC(=O)N(C5CC5)C4=O)CC3)o2)ccc1F,LSXWLQPNGUPVBQ-UHFFFAOYSA-N
-rxn:4:213969:226844,O=C(c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)o1)N1CCC(N2CC(=O)N(C3CC3)C2=O)CC1,LHZKWJQZMKCGFH-UHFFFAOYSA-N
-rxn:4:213974:223595,CC(C)(C)OC(=O)N1CCCN(c2cccc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)c(F)c3)n2)CC1,RFOYZHQMBLIGKM-UHFFFAOYSA-N
-rxn:4:213974:223651,Cc1nc(C2CCN(C(=O)OC(C)(C)C)C2)ccc1-c1cccc(N2CCCN(C(=O)OC(C)(C)C)CC2)n1,UTPZOJJDDWVXSV-UHFFFAOYSA-N
-rxn:4:213974:226844,CC(C)(C)OC(=O)N1CCCN(c2cccc(-c3ccnc(C(=O)C(F)(F)F)c3)n2)CC1,LGAQSIHJGJTPNH-UHFFFAOYSA-N
-rxn:4:213980:225767,CC(C)COc1c(F)cc(-c2ccnc(C3CCN(C(=O)OC(C)(C)C)CC3C)n2)cc1F,YCIUZEZOHXJQDE-UHFFFAOYSA-N
-rxn:4:213985:226844,Cc1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)c(-c2ccnc(C(=O)C(F)(F)F)c2)c1,TXULPYDFGOBYSE-UHFFFAOYSA-N
-rxn:4:213989:226844,O=C(c1cc(-c2cnc(OCC3CCCN(C4CCOCC4)C3)nc2)ccn1)C(F)(F)F,NFLVAZQAVSFHSZ-UHFFFAOYSA-N
-rxn:4:213991:223179,CONC(=O)c1cc(-c2cnc(OC3CCN(CC4CCCOC4)CC3)nc2)ccc1F,ZWFHREVBVMYVBJ-UHFFFAOYSA-N
-rxn:4:213991:226844,O=C(c1cc(-c2cnc(OC3CCN(CC4CCCOC4)CC3)nc2)ccn1)C(F)(F)F,FVHNODKCZLZYCZ-UHFFFAOYSA-N
-rxn:4:213992:224179,CN1CCN(CCOc2ccc(-c3cnc(OC4CCN(CC5CCOCC5)CC4)nc3)cc2)CC1,TVAOUGUXIGMBLR-UHFFFAOYSA-N
-rxn:4:213994:226844,C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1c1cncc(-c2ccnc(C(=O)C(F)(F)F)c2)c1,NLGDISSUUFBURU-CQSZACIVSA-N
-rxn:4:213996:226844,CC1CN(C(=O)OC(C)(C)C)CCN1c1ccncc1-c1ccnc(C(=O)C(F)(F)F)c1,FIEIZNUHMVPYAS-UHFFFAOYSA-N
-rxn:4:213997:226844,CC1CN(c2ccncc2-c2ccnc(C(=O)C(F)(F)F)c2)CCN1C(=O)OC(C)(C)C,RTPGRPGYFRGJJF-UHFFFAOYSA-N
-rxn:4:213998:223179,CONC(=O)c1cc(-c2cncc(N3CCN(C(=O)OC(C)(C)C)C(C)C3)c2)ccc1F,UXFJNUUGDWKBLQ-UHFFFAOYSA-N
-rxn:4:214014:226528,CCOC(=O)c1ccc(-c2cncc(C(=O)N3CCCSCC3CN3CCCC3)c2)c(Cl)c1,FSOFGZAUXHMBGL-UHFFFAOYSA-N
-rxn:4:214024:222907,CC(C)(C)OC(=O)Nc1cnccc1-c1cnc(OC2CCN(C(=O)C3CCC(F)(F)CC3)CC2)nc1,XIYGRBLWVDQAON-UHFFFAOYSA-N
-rxn:4:214024:226844,O=C(C1CCC(F)(F)CC1)N1CCC(Oc2ncc(-c3ccnc(C(=O)C(F)(F)F)c3)cn2)CC1,RXFLTUVFSXQXFH-UHFFFAOYSA-N
-rxn:4:214033:227386,CC(C)[C@H]1COC(c2cc(-c3cnn(C4CCCCC4)c3)cc(C3=N[C@@H](C(C)C)CO3)n2)=N1,PMNWHLNXHKAKKJ-DNQXCXABSA-N
-rxn:4:214034:223279,O=C(c1cccc(-c2cnc(C3CCCN3)nc2)c1)N1CCN(C(=O)N2CCCCC2)CC1,QFYAOUALHOVJFX-UHFFFAOYSA-N
-rxn:4:214034:226844,O=C(c1cccc(-c2ccnc(C(=O)C(F)(F)F)c2)c1)N1CCN(C(=O)N2CCCCC2)CC1,JFHSXCPZTQWCBY-UHFFFAOYSA-N
-rxn:4:214035:225050,CC1CCN(c2cc(F)cc(-c3ccc(C(=O)N4CCC(n5nc(C6CC6)ccc5=O)CC4)cc3)c2)CC1,QKPYQGTXMFXDRL-UHFFFAOYSA-N
-rxn:4:214036:225232,CC1CCN(c2cc(-c3ccc(C4=NN(S(C)(=O)=O)C(c5ccc(N(C)C)cc5)C4)cc3)cnc2Cl)CC1,BYFWZGPOOJSPEV-UHFFFAOYSA-N
-rxn:4:214037:224648,CC(C)(C)[Si](C)(C)Oc1ccc(-c2ccc(N3CC(C(=O)N4CCN(S(C)(=O)=O)CC4)CC3=O)cc2)c(Cl)c1,KYNABJOEOYHMTO-UHFFFAOYSA-N
-rxn:4:214037:226844,CS(=O)(=O)N1CCN(C(=O)C2CC(=O)N(c3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3)C2)CC1,YCHMVSVRPPGHNF-UHFFFAOYSA-N
-rxn:4:214042:223179,CONC(=O)c1cc(-c2ccc(C(=O)N3CCC(N4CC(=O)N(c5ccccc5)C4=O)CC3)o2)ccc1F,KAKCQKAIZLABAS-UHFFFAOYSA-N
-rxn:4:214042:223279,O=C(c1ccc(-c2cnc(C3CCCN3)nc2)o1)N1CCC(N2CC(=O)N(c3ccccc3)C2=O)CC1,XVEKASIRFDHKGY-UHFFFAOYSA-N
-rxn:4:214066:226844,O=C(c1ccccc1)N1CCN(C2CC(=O)N(c3cccc(-c4ccnc(C(=O)C(F)(F)F)c4)c3)C2=O)CC1,SCOYJHNCNZIDOV-UHFFFAOYSA-N
-rxn:4:214071:226098,CCCCOc1ccc(-c2cccc(C(=O)N3CCN(S(=O)(=O)N4CCCCCC4)CC3)c2)cc1C,RJMXHECLNOXPGH-UHFFFAOYSA-N
-rxn:4:214072:223179,CONC(=O)c1cc(-c2cccc(N3C(=O)CC(N4CCN(Cc5ccccc5)CC4)C3=O)c2)ccc1F,IFLJOCGHPBFSOE-UHFFFAOYSA-N
-rxn:4:214072:226844,O=C1CC(N2CCN(Cc3ccccc3)CC2)C(=O)N1c1cccc(-c2ccnc(C(=O)C(F)(F)F)c2)c1,JJUIDERSCUGHJL-UHFFFAOYSA-N
-rxn:4:214074:223167,Cc1nn(S(=O)(=O)c2ccc(-c3ccnc(N4CCNCC4)c3)cc2)c(C)c1S(=O)(=O)N1CCCC(C)C1,VAQGSQWPRVTSID-UHFFFAOYSA-N
-rxn:4:214074:226262,CCCCOc1cccc(-c2ccc(S(=O)(=O)n3nc(C)c(S(=O)(=O)N4CCCC(C)C4)c3C)cc2)c1Cl,UTVMBGGOTLATRN-UHFFFAOYSA-N
-rxn:4:214075:223179,CONC(=O)c1cc(-c2ccc(CN3CCC(N4CC(=O)N(c5ccccc5)C4=O)CC3)cc2)ccc1F,GGTGIUCBRJQJMQ-UHFFFAOYSA-N
-rxn:4:214079:223179,CONC(=O)c1cc(-c2ccc(CN3CCN(C(C)C)CC3)c(N3CCCC3)c2)ccc1F,OEAXHBJRWSQCFD-UHFFFAOYSA-N
-rxn:4:214079:223279,CC(C)N1CCN(Cc2ccc(-c3cnc(C4CCCN4)nc3)cc2N2CCCC2)CC1,UJPCWTKRLIYGQM-UHFFFAOYSA-N
-rxn:4:214082:223279,CC(C)N1CCN(Cc2ccc(-c3cnc(C4CCCN4)nc3)cc2N2CCOCC2)CC1,KPJSLJCWGXAHAP-UHFFFAOYSA-N
-rxn:4:214086:227086,CC(C)N1CCN(Cc2ccc(-c3ccnc(C4CCCC4)c3)cc2N2CCCCC2)CC1,YEEHWCDWYSVDQO-UHFFFAOYSA-N
-rxn:4:214146:223179,CONC(=O)c1cc(-c2c(C(F)(F)F)nc3n2CCN(C(=O)OC(C)(C)C)C3)ccc1F,JXNJCKOHHKMBNP-UHFFFAOYSA-N
-rxn:4:214159:223901,CC1CCN(CCOc2ccc(-c3cccc(CSc4nc5c(cc4C#N)CN(C)CC5)c3)cc2Cl)CC1,BCGGTNWTUOBRDN-UHFFFAOYSA-N
-rxn:4:214185:223388,CC(C)(C)OC(=O)N1CCCn2nc(C(F)(F)F)c(-c3ccc(S(=O)(=O)O)cc3)c2C1,DRBDRMWOVGJSMN-UHFFFAOYSA-N
-rxn:4:214201:226844,CC(C)(C)OC(=O)N1C2CC1CN(c1ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cn1)C2,BBPHSPIAZJQUAT-UHFFFAOYSA-N
-rxn:4:214223:223838,CN(C)S(=O)(=O)N1CCN(c2ccc(-c3ccc(C(=O)N4CCC(Cn5cnc6ccccc65)CC4)o3)cc2)CC1,UPAKCDDXMUMSJN-UHFFFAOYSA-N
-rxn:4:214257:223279,CC(C)(C)OC(=O)N1CC2CCC(C1)N2c1ccc(-c2cnc(C3CCCN3)nc2)cn1,QSOXPHVFEKTKRA-UHFFFAOYSA-N
-rxn:4:214272:223712,COc1ccc(-c2c(OC)ccc3cc(-c4nn(-c5ncc(C(F)(F)F)cc5Cl)cc4C)ccc23)cc1C12CC3CC(CC(C3)C1)C2,LRLNJPYAZTUOIZ-UHFFFAOYSA-N
-rxn:4:214284:225380,COc1ccc(F)cc1S(=O)(=O)N1C2CCC1CC(n1cc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)cn1)C2,ZZPGGLIZQNMPBN-UHFFFAOYSA-N
-rxn:4:214336:226844,CN(C1=NS(=O)(=O)c2ccccc21)C1CCN(Cc2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2)CC1,KDMVHISFPTVGOR-UHFFFAOYSA-N
-rxn:4:214337:226844,CN(C1=NS(=O)(=O)c2ccccc21)C1CCN(Cc2cccc(-c3ccnc(C(=O)C(F)(F)F)c3)c2)CC1,IVWUGNHGWIJGRE-UHFFFAOYSA-N
-rxn:4:214339:222791,COc1ccc(CN2C(=O)CCC(n3c(=O)n(C)c4cc(-c5cc(NC(=O)OC(C)(C)C)ccc5Cl)ccc43)C2=O)cc1,ODJDKNLQFOAVMZ-UHFFFAOYSA-N
-rxn:4:214379:223011,CC(C)Oc1cc2cn[nH]c2cc1-c1ccc(C(=O)N2CCN(S(=O)(=O)c3cc4c5c(c3)CCN5C(=O)CC4)CC2)o1,LPBXOCBDYUHGPV-UHFFFAOYSA-N
-rxn:4:214379:225147,COc1cccc(-c2ncc(-c3ccc(C(=O)N4CCN(S(=O)(=O)c5cc6c7c(c5)CCN7C(=O)CC6)CC4)o3)cn2)c1,FQLYJAPRAOGNBD-UHFFFAOYSA-N
-rxn:4:214446:223573,CN(C)C(=O)Cn1ccc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)cc2)n1,IVBFEOBONQPPQZ-UHFFFAOYSA-N
-rxn:4:214617:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2cnn(C(C)C(=O)N3CCOCC3)c2)cc1,INMLMEBYSYSULA-UHFFFAOYSA-N
-rxn:4:214628:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3ccc(C(=O)N4CCN(c5nccs5)C(=O)C4)o3)c2)CC1,VKXPYRYMTLVANK-UHFFFAOYSA-N
-rxn:4:214660:223787,CN1CCN(CCCOc2ccc(-c3cnn(C)c3C(=O)N3CCC(C(F)(F)F)CC3)cc2F)CC1,HDYCMDKBYZKIBA-UHFFFAOYSA-N
-rxn:4:214662:225518,CCCCCOc1ncc(C)cc1-c1c(C(=O)N2CCC(C(F)(F)F)CC2)cnn1C,GYIKEQNXTMFGIU-UHFFFAOYSA-N
-rxn:4:214712:222540,CN(C)S(=O)(=O)N1CCCC1c1ccc(-c2cccc(C(=O)NCCN3CCCCC3)c2)cn1,QJVCDALCNXLVJW-UHFFFAOYSA-N
-rxn:4:214730:225356,CCOc1ccc(C(F)(F)F)c(F)c1-c1ccc(N2CCN(S(=O)(=O)C3CC3)CC2)nc1,WCONDCCIPNAROI-UHFFFAOYSA-N
-rxn:4:214730:225357,CCOc1cc(-c2ccc(N3CCN(S(=O)(=O)C4CC4)CC3)nc2)c(F)c(C(F)(F)F)c1,LBKGBQQAQXULBD-UHFFFAOYSA-N
-rxn:4:214734:225366,CC(F)(F)c1ccc(-c2cnc(N3CCN(S(=O)(=O)C4CC4)CC3)c(Cl)c2)c(C(F)(F)F)c1,DKHZSEVZIFPIDB-UHFFFAOYSA-N
-rxn:4:214735:225871,O=C1C=CC(=O)N1c1cccc(-c2cnc(N3CCN(S(=O)(=O)C4CC4)CC3)c(F)c2)c1,ICXRVJPXQLLQFA-UHFFFAOYSA-N
-rxn:4:214742:224194,CCN1CCN(Cc2ccc(-c3cc(N4CCC(N(C)C)CC4)ccc3C#N)cc2Cl)CC1,AHVSKSSSWZGWAO-UHFFFAOYSA-N
-rxn:4:214753:224197,CCN1CCN(Cc2ccc(-c3cnc(C(=O)N4CCN(C(C)C)CC4)c(Cl)c3)cc2F)CC1,QBWIESIWJUNYKT-UHFFFAOYSA-N
-rxn:4:214773:223568,CC(C)N1CCN(S(=O)(=O)c2cncc(-c3cnc4c(ccn4[Si](C(C)C)(C(C)C)C(C)C)c3Cl)c2)CC1,AGDBNQPPVYNPFT-UHFFFAOYSA-N
-rxn:4:214792:224658,COC(C)c1ncc(N2CCN(C)CC2)cc1-c1ccc(N2CCN(C(C)=O)CC2)cc1,UMLDLEWQBMQHQI-UHFFFAOYSA-N
-rxn:4:214810:223503,Cc1nc(CN2CCN(c3cccc(-c4c(F)cc(OC5CCN(C(=O)OC(C)(C)C)CC5)cc4F)c3)CC2)co1,KJYHGCOYENXKER-UHFFFAOYSA-N
-rxn:4:214818:226231,CCCCOc1ncc(-c2cnc(N3CCN(C(=O)C4CCCO4)CC3)c(Cl)c2)cc1C,VDDQQRXURDOVQF-UHFFFAOYSA-N
-rxn:4:214820:226231,CCCCOc1ncc(-c2cnc(N3CCOC(C(=O)N4CCCC4)C3)c(F)c2)cc1C,DJSTTYKGSQDKBK-UHFFFAOYSA-N
-rxn:4:214829:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2cccnc2N2CCOC(C(=O)N3CCSCC3)C2)CC1,DLKUNWXDPUZYTQ-UHFFFAOYSA-N
-rxn:4:214836:223179,CONC(=O)c1cc(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCSCC3)C2)ccc1F,NEVYVMFNLPRKFZ-UHFFFAOYSA-N
-rxn:4:214836:223595,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cc(Cl)cnc3N3CCOC(C(=O)N4CCSCC4)C3)cc2F)CC1,PGYAWQQOOFJIRA-UHFFFAOYSA-N
-rxn:4:214838:226259,CCCCOc1ccc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)c(F)c2)cc1Cl,OBBJSIUMXLFBOO-UHFFFAOYSA-N
-rxn:4:214839:223279,O=C(C1CN(c2ncc(-c3cnc(C4CCCN4)nc3)cc2F)CCO1)N1CCSCC1,KPBPOJBWZODIBR-UHFFFAOYSA-N
-rxn:4:214866:223179,CONC(=O)c1cc(-c2ccc(N3CCCC(C(=O)N4CCOCC4)C3)nc2)ccc1F,PPAUPURXXBAPMN-UHFFFAOYSA-N
-rxn:4:214866:226844,O=C(C1CCCN(c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cn2)C1)N1CCOCC1,KPFGYGYZLQRFNU-UHFFFAOYSA-N
-rxn:4:214867:223179,CONC(=O)c1cc(-c2cnc(N3CCOC(C(=O)N4CCCC4)C3)c(C)c2)ccc1F,BHEBIOYDFJBWTI-UHFFFAOYSA-N
-rxn:4:214868:226844,O=C(C1CN(c2ncccc2-c2ccnc(C(=O)C(F)(F)F)c2)CCO1)N1CCCCC1,CMVVXIXKUBWHSD-UHFFFAOYSA-N
-rxn:4:214871:223179,CONC(=O)c1cc(-c2cnc(N3CCCC(C(=O)N4CCOCC4)C3)c(Cl)c2)ccc1F,GDRWZCVJVINIHD-UHFFFAOYSA-N
-rxn:4:214871:226231,CCCCOc1ncc(-c2cnc(N3CCCC(C(=O)N4CCOCC4)C3)c(Cl)c2)cc1C,AWAIJICUFCRUDO-UHFFFAOYSA-N
-rxn:4:214872:226844,O=C(C1CN(c2ncc(Cl)cc2-c2ccnc(C(=O)C(F)(F)F)c2)CCO1)N1CCCCC1,RMLFZZDTPNCPRV-UHFFFAOYSA-N
-rxn:4:214872:226981,CCCCCCc1ccsc1-c1cc(Cl)cnc1N1CCOC(C(=O)N2CCCCC2)C1,DLIOAGJXSUOGEB-UHFFFAOYSA-N
-rxn:4:214874:225726,CCOC(=O)c1ccc(-c2cnc(N3CCOC(C(=O)N4CCCCC4)C3)c(F)c2)cc1OC,DIFDONXUCZRSGI-UHFFFAOYSA-N
-rxn:4:214875:223179,CONC(=O)c1cc(-c2cnc(N3CCCC(C(=O)N4CCSCC4)C3)c(F)c2)ccc1F,ZKCAGLUDTCOQIR-UHFFFAOYSA-N
-rxn:4:214879:223279,CCN1CCN(C2CC(=O)N(c3ccc(-c4cnc(C5CCCN5)nc4)cc3)C2=O)CC1,QJBDXEXNOFLRGA-UHFFFAOYSA-N
-rxn:4:214881:224413,COc1cc(C(F)(F)F)cc(C(F)(F)F)c1-c1cccnc1N1CCC(C(=O)N2CCC(F)(F)CC2)CC1,KJFDEULWVANENY-UHFFFAOYSA-N
-rxn:4:214881:226844,O=C(C1CCN(c2ncccc2-c2ccnc(C(=O)C(F)(F)F)c2)CC1)N1CCC(F)(F)CC1,AVGSFXVFQLVLNQ-UHFFFAOYSA-N
-rxn:4:214882:223279,O=C(C1CCN(c2ccc(-c3cnc(C4CCCN4)nc3)cn2)CC1)N1CCC(F)(F)CC1,VQOQVLQUAJYZFR-UHFFFAOYSA-N
-rxn:4:214883:226844,O=C(C1CCN(c2ccncc2-c2ccnc(C(=O)C(F)(F)F)c2)CC1)N1CCC(F)(F)CC1,NSDCNZXROSTRHM-UHFFFAOYSA-N
-rxn:4:214885:226844,O=C(C1CCN(c2ncc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2Cl)CC1)N1CCC(F)(F)CC1,SMHHDCKLBOQDTE-UHFFFAOYSA-N
-rxn:4:214888:223179,CONC(=O)c1cc(-c2cncc(C(=O)N3CCC4(CC3)OC(=O)N(c3ccccc3)C4=O)c2)ccc1F,DQAWZHGRNYVNTN-UHFFFAOYSA-N
-rxn:4:214890:226844,O=C(c1cncc(-c2ccnc(C(=O)C(F)(F)F)c2)c1)N1CCCN(C2CCSCC2)CC1,CEYXKJWYJQANBD-UHFFFAOYSA-N
-rxn:4:215063:222545,CC(C)(C)OC(=O)NC(C)(C)c1ccc(-c2cn3c(n2)CN(C(=O)OC(C)(C)C)CC3)cc1,ZYNCZORLXGGVIN-UHFFFAOYSA-N
-rxn:4:215097:223583,COC(=O)c1ccc2c(-c3ncc4n3C(C)CN(C(=O)OC(C)(C)C)C4)cn(C(=O)OC(C)(C)C)c2c1,OFRWNDIWRNISRF-UHFFFAOYSA-N
-rxn:4:215106:222899,CCCCNS(=O)(=O)c1ccc(-c2c(C)nn3c2CN(C(=O)OC(C)(C)C)CC3)cc1,LHUNFNLDZHJQTA-UHFFFAOYSA-N
-rxn:4:215170:223179,CONC(=O)c1cc(-c2cncc(C(=O)N3CC(N4C(=O)C5CC=CCC5C4=O)C3)c2)ccc1F,SYRDHTFMXNSIPG-UHFFFAOYSA-N
-rxn:4:215170:226844,O=C(c1cncc(-c2ccnc(C(=O)C(F)(F)F)c2)c1)N1CC(N2C(=O)C3CC=CCC3C2=O)C1,MSDZDWUNNVUWAT-UHFFFAOYSA-N
-rxn:4:215188:225348,COC(=O)c1ccc(C(F)(F)F)cc1-c1ccc(N2C(=O)N(c3ccc([N+](=O)[O-])cc3)C3CS(=O)(=O)CC32)cc1,LGAAMSRTDKQQOO-UHFFFAOYSA-N
-rxn:4:215198:223179,CONC(=O)c1cc(-c2ccc3nc(N4CCOC(C(=O)N5CCOCC5)C4)sc3c2)ccc1F,GMBQDDRIAIPYIC-UHFFFAOYSA-N
-rxn:4:215214:226844,CC(C)(C)OC(=O)N1CCOCC2(Cc3ncc(-c4ccnc(C(=O)C(F)(F)F)c4)n3C2)C1,OQRXOIALUGYHPA-UHFFFAOYSA-N
-rxn:4:215215:222447,COc1ccc2c(c1-c1ccc3ccc(N4CCOC(C(=O)N5CCCC5)C4)nc3c1)N=C(NC(=O)OC(C)(C)C)C2,QHXAOPWJAHCDAV-UHFFFAOYSA-N
-rxn:4:215219:226844,O=C(C1CN(c2ccc3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3n2)CCO1)N1CCOCC1,LDVBZJASVMXFPL-UHFFFAOYSA-N
-rxn:4:215232:226844,O=C(C1CCCN(c2ccc3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3n2)C1)N1CCOCC1,GVZHMJWQDCYMSD-UHFFFAOYSA-N
-rxn:4:215287:225894,O=C1CCCN1c1ccc(S(=O)(=O)N2CCc3[nH]c4c(-c5cccc(COCC(F)(F)F)c5)cccc4c3C2)cc1,QNJDKBWRGRJVPB-UHFFFAOYSA-N
-rxn:4:215296:223279,CCCN1CCC2(CC1)Oc1ccc(-c3cnc(C4CCCN4)nc3)cc1C1CC(c3ccccc3)=NN12,VJBUFZIJXCPZAD-UHFFFAOYSA-N
-rxn:4:215298:224689,CC(C)CC(=O)N1CCc2c([nH]c3ccccc23)C12C(=O)N(C)c1ccc(-c3ccc(C(=O)N4CCCCC4)cc3Cl)cc12,WPYWZAMTUFHDQY-UHFFFAOYSA-N
-rxn:4:215370:223606,[N-]=[N+]=Nc1ccc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c(F)c2)c(C(F)(F)F)c1,HKNHPRPBOPDUOR-UHFFFAOYSA-N
-rxn:4:215663:223822,CC(C)(C)COC(=O)c1ccc(C(F)(F)F)cc1-c1csc(N2CCC(C#N)CC2)n1,DOFURMHJNXENEN-UHFFFAOYSA-N
-rxn:4:215683:223596,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)ccc2-c2cncc([N+](=O)[O-])c2N2CCCC2)CC1,PNSULLVJFMQETK-UHFFFAOYSA-N
-rxn:4:215848:223687,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3cnn(C4CCN(S(C)(=O)=O)CC4)c3)cn2)CC1,WQXLAIJERPLZEZ-UHFFFAOYSA-N
-rxn:4:215852:223532,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)cc(-c3cc(N4CCOCC4)nc(C4CC4)n3)c2)CC1,LKRARAHPILAXEI-UHFFFAOYSA-N
-rxn:4:215898:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cnc(C4CCN(S(C)(=O)=O)CC4)cn3)c2Cl)CC1,CROCTNZHQFPGIY-UHFFFAOYSA-N
-rxn:4:215965:224022,CC1CCN(c2cc(-c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)nc(C3CC3)n2)CC1,SBYNKVOYMODIBX-UHFFFAOYSA-N
-rxn:4:215985:223179,CONC(=O)c1cc(-c2ccc(N3C(=O)CC(N4CCN(C)CC4)C3=O)cc2)ccc1F,CZCDBBTWHYWMKN-UHFFFAOYSA-N
-rxn:4:216160:223838,CN(C)S(=O)(=O)N1CCN(c2ccc(-c3cc4nc(N5CCOCC5)sc4cc3[N+](=O)[O-])cc2)CC1,WROPHNIXHPWWBG-UHFFFAOYSA-N
-rxn:4:216245:223583,COC(=O)c1ccc2c(-c3cnc4c(c3)N(C(=O)C(C)(C)C)CCN4C)cn(C(=O)OC(C)(C)C)c2c1,XPHOLWFDMLBMOF-UHFFFAOYSA-N
-rxn:4:216356:223279,COc1ccc(C2=NN3C(C2)c2cc(-c4cnc(C5CCCN5)nc4)ccc2OC32CCN(C)CC2)cc1,SMPOKPVFROTBKX-UHFFFAOYSA-N
-rxn:4:217072:223501,Cc1nn(C(C)(C)C)nc1-c1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c(Cl)c1,GBUOEDMGKHOWGQ-UHFFFAOYSA-N
-rxn:4:217161:223562,CN1CCN(c2cccc(-c3ccc(CC4CCN(C(=O)OC(C)(C)C)CC4)cc3)n2)CC1,ZQRODUQAKBMRAP-UHFFFAOYSA-N
-rxn:4:217792:223669,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3csc4c(N5CCOCC5)nc(Cl)nc34)cn2)CC1,ZQVJLWCQYDJDRL-UHFFFAOYSA-N
-rxn:4:217792:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3csc4c(N5CCOCC5)nc(Cl)nc34)ccn2)CC1,WNPDIGVLGJRBAV-UHFFFAOYSA-N
-rxn:4:217889:224596,COc1cc(N2CCCCC2C)ccc1-c1cnc(N2C3CCC2CC(=C2CC2)C3)nc1,FQXUHJGIILTVNT-UHFFFAOYSA-N
-rxn:4:217907:226119,Cc1ccc(OCC2CC2)c(-c2ccc3c(c2)C2CC(c4ccc(Cl)cc4)=NN2C2(CCN(C)CC2)O3)c1,AEKIGGCNTRZQLY-UHFFFAOYSA-N
-rxn:4:218567:223179,CONC(=O)c1cc(-c2cnc(N(C)CC3CN(C(=O)OC(C)(C)C)C3)cn2)ccc1F,RHGADYNEJNQQGN-UHFFFAOYSA-N
-rxn:4:218567:226844,CN(CC1CN(C(=O)OC(C)(C)C)C1)c1cnc(-c2ccnc(C(=O)C(F)(F)F)c2)cn1,KAYPVOATHBPBKW-UHFFFAOYSA-N
-rxn:4:218578:226844,CC(C)(C)OC(=O)N1CCC(CC#N)(n2cc(-c3ccnc(C(=O)C(F)(F)F)c3)cn2)CC1,VWJZXJSYBIESLM-UHFFFAOYSA-N
-rxn:4:218587:223001,N#Cc1ccc(S(=O)(=O)N2CCC(COc3ncc(-c4cc(C5CCCNC5)ccc4F)cn3)CC2)cc1,ADLLYTHOBCCQPM-UHFFFAOYSA-N
-rxn:4:218587:223010,N#Cc1ccc(S(=O)(=O)N2CCC(COc3ncc(-c4ccc(C5(O)CCOCC5)cc4)cn3)CC2)cc1,BJWDRHCDOQVECQ-UHFFFAOYSA-N
-rxn:4:218587:224325,CS(=O)(=O)N1CC=C(c2ccc(-c3cnc(OCC4CCN(S(=O)(=O)c5ccc(C#N)cc5)CC4)nc3)cc2)CC1,GDJMKOUYDKUMBQ-UHFFFAOYSA-N
-rxn:4:218630:224743,COc1nccnc1N(C)CC1CCN(C(=O)c2ccc(-c3c(F)cc(C(=O)OC(C)(C)C)cc3F)o2)CC1,GCSKUSAYSMIOMZ-UHFFFAOYSA-N
-rxn:4:218631:226844,O=C1C(N2CCC(COc3ncc(-c4ccnc(C(=O)C(F)(F)F)c4)cn3)CC2)CCN1CC(F)(F)F,QLVOIYRTSJTWRK-UHFFFAOYSA-N
-rxn:4:218656:226844,COc1cc(=O)n(C)cc1C(=O)N1CCCC(COc2ncc(-c3ccnc(C(=O)C(F)(F)F)c3)cn2)C1,PQLWUVTVNCIADZ-UHFFFAOYSA-N
-rxn:4:218664:225877,CN(C)c1ccc(C(=O)N2CCCC(COc3ncc(-c4ccc(Cl)cc4N4CCOCC4)cn3)C2)cc1,AHCVCHAICZBLQU-UHFFFAOYSA-N
-rxn:4:218665:225984,CN(C)c1cccc(C(=O)N2CCCC(COc3ncc(-c4cnc(Cl)c(N5CCOCC5)c4)cn3)C2)c1,VABQIXRXUUBWJI-UHFFFAOYSA-N
-rxn:4:218666:223945,CC(C)(C)c1ccc(OCC2CCN(C(=O)c3cncc(-c4ccc(OCCCN5CCOCC5)c(F)c4)c3)C2)nn1,GSLDBOBUPXWCBQ-UHFFFAOYSA-N
-rxn:4:218667:222614,O=C(c1ccc(Cn2ccnc2)cc1)N1CCC(Oc2ncccc2-c2ccc(S(=O)(=O)NC3CC3)cc2C(F)(F)F)CC1,QFNABERWDPQGKP-UHFFFAOYSA-N
-rxn:4:218682:224751,CC(=O)N1CCC(C(=O)N2CCCC(COc3ncc(-c4ccc(F)c(C(=O)N5CCOCC5)c4)cn3)C2)CC1,FMXJUOILPYEDDL-UHFFFAOYSA-N
-rxn:4:218698:223179,CONC(=O)c1cc(-c2ccc(N3CC(C(=O)N4CCN(CCc5ccncc5)CC4)CC3=O)cc2)ccc1F,QCQYKTACBSQNRU-UHFFFAOYSA-N
-rxn:4:218704:223651,Cc1cc(Cl)ccc1OCC(=O)N1CCCN(c2cc(-c3ccc(-c4ccc(C5CCN(C(=O)OC(C)(C)C)C5)nc4C)cc3)n[nH]2)CC1,IXPVXQONAQEIAR-UHFFFAOYSA-N
-rxn:4:218710:223279,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cnc(C5CCCN5)nc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,SKPADVDXCJLHQF-UHFFFAOYSA-N
-rxn:4:218711:223179,CONC(=O)c1cc(-c2cc([N+](=O)[O-])ccc2N2CCC(N3CCN(C(=O)OC(C)(C)C)CC3)CC2)ccc1F,BCCGSBYCLDUICZ-UHFFFAOYSA-N
-rxn:4:218711:226618,CC(C)(C)OC(=O)N1CCN(C2CCN(c3ccc([N+](=O)[O-])cc3-c3cnc(-c4ccccn4)nc3)CC2)CC1,SPZWJOMMGKRFDX-UHFFFAOYSA-N
-rxn:4:218712:223279,Cc1ccc(S(=O)(=O)N2CCN(C(=O)CC(C)n3nc(C)c(-c4cnc(C5CCCN5)nc4)c3C)CC2)c(C)c1,WYVKACPNKCSOLT-UHFFFAOYSA-N
-rxn:4:218713:223279,Cc1ccc(S(=O)(=O)N2CCN(C(=O)CC(C)n3nc(C)c(-c4cnc(C5CCCN5)nc4)c3C)CC2)cc1C,CMSJRBQMBBYEEA-UHFFFAOYSA-N
-rxn:4:218768:223279,COc1ccc(CCC(=O)N2Cc3cnc(N4CCOCC4)nc3C2)cc1-c1cnc(C2CCCN2)nc1,NEPXLKBNBOTKFL-UHFFFAOYSA-N
-rxn:4:218775:223179,CONC(=O)c1cc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCCCCC4)CC3)c2)ccc1F,HAIXMTUJDXZACD-UHFFFAOYSA-N
-rxn:4:218777:222988,Cc1cc(-c2c(C)nn(C(C)CC(=O)N3CCN(S(=O)(=O)c4ccc5ccccc5c4)CC3)c2C)cc(C2CCNCC2)n1,PVVAMIZJHQFERN-UHFFFAOYSA-N
-rxn:4:218777:223279,Cc1nn(C(C)CC(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)c(C)c1-c1cnc(C2CCCN2)nc1,VEUTULHULLGCEW-UHFFFAOYSA-N
-rxn:4:218778:223279,Cc1cc(Cn2c(N3CC4(CN(C(=O)OC(C)(C)C)C4)C3)nc3c(-c4cnc(C5CCCN5)nc4)cc(Cl)cc32)cc(C)c1F,OZBOIKHZPWNYPB-UHFFFAOYSA-N
-rxn:4:218786:223279,CS(=O)(=O)N1CCN(C(=O)CCC(=O)N2CCc3[nH]c4c(-c5cnc(C6CCCN6)nc5)cccc4c3C2)CC1,RXJDZBGTGKVRMO-UHFFFAOYSA-N
-rxn:4:218787:223179,CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C2CCCCC2)c1=NC(=O)c1cccc(-c2ccc(F)c(C(=O)NOC)c2)c1,KNGIQYVERTZSEK-UHFFFAOYSA-N
-rxn:4:218846:223179,CONC(=O)c1cc(-c2cnc(OC3CCN(C(=O)CN4C(=O)CCC4=O)C3)nc2)ccc1F,LMZNMFABEQBZCP-UHFFFAOYSA-N
-rxn:4:218846:228106,CCC(C)c1ncc(-c2cnc(OC3CCN(C(=O)CN4C(=O)CCC4=O)C3)nc2)cn1,KHNJLQKSWZYDTK-UHFFFAOYSA-N
-rxn:4:218867:223179,CONC(=O)c1cc(-c2cccc(-c3noc(COC(=O)C4=CN(C)S(=O)(=O)N=C4C)n3)c2)ccc1F,ATQOCJXCWYESTE-UHFFFAOYSA-N
-rxn:4:218867:225979,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3cnc(N4CCOCC4)c(Cl)c3)c2)no1,VLEHKSMHPZZGOS-UHFFFAOYSA-N
-rxn:4:218867:226844,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3ccnc(C(=O)C(F)(F)F)c3)c2)no1,RGDUAVBGFGUEFX-UHFFFAOYSA-N
-rxn:4:218868:223179,CONC(=O)c1cc(-c2ccc(-c3noc(COC(=O)C4=CN(C)S(=O)(=O)N=C4C)n3)cc2)ccc1F,OHRVPXZIXZITAZ-UHFFFAOYSA-N
-rxn:4:218868:226729,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3cnc(OC4CCOC4)nc3)cc2)no1,CDTFMUMRVMJDEP-UHFFFAOYSA-N
-rxn:4:218884:224196,CCN1CCN(Cc2cc(F)cc(-c3cncc(C(=O)N4CCCC(COc5ncccn5)C4)c3)c2)CC1,GDLGRTLBLXTUPK-UHFFFAOYSA-N
-rxn:4:218903:226792,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3cnc(N4CCOCC4)nc3)cc2C#N)CC1,GOHKEEKGSQBFAS-UHFFFAOYSA-N
-rxn:4:218917:222809,CC(C)(C)OC(=O)Nc1cnc(Cl)cc1-c1cnc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)nc1,PWXQLZWCZPSFST-UHFFFAOYSA-N
-rxn:4:218917:226844,CC(C)(C)OC(=O)N1CCN(C(=O)c2ncc(-c3ccnc(C(=O)C(F)(F)F)c3)cn2)CC1,KNMRPNGOEXEUIR-UHFFFAOYSA-N
-rxn:4:218944:228803,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3cc([Si](C)(C)C)cs3)cc2[N+](=O)[O-])CC1,CXCZWYVCAGRKML-UHFFFAOYSA-N
-rxn:4:218948:226844,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ncc(-c3ccnc(C(=O)C(F)(F)F)c3)cn2)CC1,VOWTVMZGJUQXCK-UHFFFAOYSA-N
-rxn:4:218963:224294,Cn1ncc(-c2cccc(Oc3ccccc3[N+](=O)[O-])c2)c1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1,QVFNBMHJOZXHIX-UHFFFAOYSA-N
-rxn:4:218963:226844,Cn1ncc(-c2ccnc(C(=O)C(F)(F)F)c2)c1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1,WISWGNKBIMDCFY-UHFFFAOYSA-N
-rxn:4:218965:226844,Cn1ncc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1-c1ccnc(C(=O)C(F)(F)F)c1,IBTQWCKUEHWYEZ-UHFFFAOYSA-N
-rxn:4:218968:224327,CC1CCCN(S(=O)(=O)c2cccc(-c3cncc(C(=O)N4CCCC(Cc5nc(C6CC6)no5)C4)c3)c2)C1,CNAHVFBLMOINHO-UHFFFAOYSA-N
-rxn:4:218968:224563,Cc1ccc(-c2cncc(C(=O)N3CCCC(Cc4nc(C5CC5)no4)C3)c2)c(O[Si](C)(C)C(C)(C)C)c1,MISZFJKINQFCOX-UHFFFAOYSA-N
-rxn:4:218973:222785,CCc1cnc(OC2CCN(C(=O)c3cncc(-c4ccc(F)c(NC(=O)OC(C)(C)C)c4)c3)CC2)nc1,REGFSMQIQMILIA-UHFFFAOYSA-N
-rxn:4:218976:223179,CONC(=O)c1cc(-c2cnc(OC3CCN(C4CCN(CC(F)(F)F)C4=O)CC3)nc2)ccc1F,JKMNHGLJIGFZSP-UHFFFAOYSA-N
-rxn:4:218976:226844,O=C1C(N2CCC(Oc3ncc(-c4ccnc(C(=O)C(F)(F)F)c4)cn3)CC2)CCN1CC(F)(F)F,HVEAVPRENGWUNJ-UHFFFAOYSA-N
-rxn:4:218977:223179,CONC(=O)c1cc(-c2cnn(CC3CN(C(=O)c4ccc(N5C(=O)CCC5=O)cc4)C3)c2)ccc1F,FQPKIQXAQCXSAD-UHFFFAOYSA-N
-rxn:4:218982:226844,O=C(c1cncc(-c2ccnc(C(=O)C(F)(F)F)c2)c1)N1CCC(N2CC(=O)N(CC(F)(F)F)C2=O)CC1,FTBWADNPUXRLIN-UHFFFAOYSA-N
-rxn:4:218983:223179,CONC(=O)c1cc(-c2ccc(OC)cc2C(=O)N2CCN(c3ccc(C(F)(F)F)nn3)CC2)ccc1F,PGPKSODEPJZHMS-UHFFFAOYSA-N
-rxn:4:218998:222584,O=C(N1CCOCC1)N1CCCC(COc2ncc(-c3ccc(OCCCN4CCNCC4)c(F)c3)cn2)C1,XUAZLIGKFLQVEG-UHFFFAOYSA-N
-rxn:4:219001:226844,CCN1CCN(C(=O)N2CCC(Oc3ncccc3-c3ccnc(C(=O)C(F)(F)F)c3)C2)C(=O)C1=O,MRCZBOPHHHLCSV-UHFFFAOYSA-N
-rxn:4:219012:223279,CN(c1ncc(-c2cnc(C3CCCN3)nc2)cn1)C1CCCN(C(=O)OC(C)(C)C)C1,LVOMMFRTKGIOAK-UHFFFAOYSA-N
-rxn:4:219013:228090,CCOCc1cncc(-c2cncc([N+](=O)[O-])c2N2CCN(C(=O)OC(C)(C)C)C(C)C2)c1,KVXIJJYRZJWUAH-UHFFFAOYSA-N
-rxn:4:219026:226844,CC1CN(C(=O)c2c(-c3ccnc(C(=O)C(F)(F)F)c3)cnn2C)CCN1C(=O)OC(C)(C)C,NTEFDTVAEMBRLH-UHFFFAOYSA-N
-rxn:4:219027:222454,CC1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1c(-c2ccccc2NC(=O)c2cccc(C(F)(F)F)c2)cnn1C,XUEBUMWGPHHKQJ-UHFFFAOYSA-N
-rxn:4:219029:226844,CC1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1cnn(C)c1-c1ccnc(C(=O)C(F)(F)F)c1,JYKXJRPBTVOEBS-UHFFFAOYSA-N
-rxn:4:219046:226844,O=C1C(N2CCCC(COc3ncc(-c4ccnc(C(=O)C(F)(F)F)c4)cn3)C2)CCN1C1CC1,HIBVWKNFXHZGKZ-UHFFFAOYSA-N
-rxn:4:219051:223279,CN(c1cnc(-c2cnc(C3CCCN3)nc2)cn1)C1CCCN(C(=O)OC(C)(C)C)CC1,QEWVJQZCRWUIMF-UHFFFAOYSA-N
-rxn:4:219062:226844,Cc1nn(C(C)C)c(C)c1S(=O)(=O)N1CCC(Oc2ncccc2-c2ccnc(C(=O)C(F)(F)F)c2)C1,SHCBAXYLWJKECB-UHFFFAOYSA-N
-rxn:4:219066:223179,CONC(=O)c1cc(-c2cnc(OC3CCN(C(=O)C4CC(=O)N(c5ccccc5)C4)CC3)nc2)ccc1F,BQQKNZALVIKLFS-UHFFFAOYSA-N
-rxn:4:219066:226538,CCOC(=O)c1cc(Cl)ccc1-c1cnc(OC2CCN(C(=O)C3CC(=O)N(c4ccccc4)C3)CC2)nc1,KCRRFLQRXCCHGD-UHFFFAOYSA-N
-rxn:4:219066:226844,O=C(C1CC(=O)N(c2ccccc2)C1)N1CCC(Oc2ncc(-c3ccnc(C(=O)C(F)(F)F)c3)cn2)CC1,NATAXNXBLOEVFO-UHFFFAOYSA-N
-rxn:4:219072:223279,O=C(Cc1nnc(-c2cccc(-c3cnc(C4CCCN4)nc3)c2)o1)N1CCN(C2CCCCC2)CC1,FENJOGREJPTJAJ-UHFFFAOYSA-N
-rxn:4:219073:226844,O=C(c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCC3)c2)CC1,PNLSIQUGOGTZPM-UHFFFAOYSA-N
-rxn:4:219093:223814,CCC(=O)C1=C(c2ccc(-c3ccc(CN4CCC5(CC4)OCCO5)cc3F)cc2)N(C(=O)CC)n2cnnc2S1,JNQHJEGMPVUUSN-UHFFFAOYSA-N
-rxn:4:219096:225740,CCCOc1c(Cl)cc(-c2cnn(CC3CN(C(=O)CN4C(=O)c5ccccc5C4=O)C3)c2)cc1OC,OBHZYFZRGZUIMA-UHFFFAOYSA-N
-rxn:4:219128:223595,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(OCC4CCN(Cc5nc6c(s5)CCC6)CC4)nc3)cc2F)CC1,IXGRDJODRHASPF-UHFFFAOYSA-N
-rxn:4:219136:223279,COc1ccc(N2C(=O)C3N=NN(Cc4cc(OC)ccc4-c4cnc(C5CCCN5)nc4)C3C2=O)cc1,AFVCEDKGLAQSBD-UHFFFAOYSA-N
-rxn:4:219174:226844,O=C(CCc1ccccc1-c1ccnc(C(=O)C(F)(F)F)c1)N1CCCc2cnc(N3CCOCC3)nc21,AOBAEZVXOXCIOI-UHFFFAOYSA-N
-rxn:4:219175:224706,CCOC(=O)c1cn2cc(-c3ccc(-c4cc(C(F)(F)F)n5nc(C(=O)N(C)C6CCCCC6)cc5n4)cc3)c(C)cc2n1,VHMCCDRUNWELIE-UHFFFAOYSA-N
-rxn:4:219182:226844,COc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)c(C(=O)N2CCN(C(=O)c3cc4n(n3)CCCC4)CC2)c1,OHOBHHUGSPGPPS-UHFFFAOYSA-N
-rxn:4:219184:223179,CCCN1CCN(C(=O)c2cc3n(n2)CC(c2ccc(-c4ccc(F)c(C(=O)NOC)c4)cc2)OC3)CC1,FZNWJKBHRBUFNX-UHFFFAOYSA-N
-rxn:4:219184:223279,CCCN1CCN(C(=O)c2cc3n(n2)CC(c2ccc(-c4cnc(C5CCCN5)nc4)cc2)OC3)CC1,UBFRCOFGRSJQOY-UHFFFAOYSA-N
-rxn:4:219205:222634,COc1ccc(CCC(=O)N2CCc3c(cnc4cc(C)nn34)C2)cc1-c1ccc(OCCNC2CCCC2)c(F)c1,ZZHOSCFFWNTDGZ-UHFFFAOYSA-N
-rxn:4:219207:223279,O=C1C2C3C=CC(C3)C2C(=O)N1CCN1CCN(c2nc(-c3ccc(-c4cnc(C5CCCN5)nc4)cc3)cs2)CC1,XERYQDIPDBIVJO-UHFFFAOYSA-N
-rxn:4:219207:226844,O=C1C2C3C=CC(C3)C2C(=O)N1CCN1CCN(c2nc(-c3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3)cs2)CC1,ILGVRYSFJDZBAJ-UHFFFAOYSA-N
-rxn:4:219271:223179,CONC(=O)c1cc(-c2cnc(N3CCN(CC(F)(F)F)CC3)c([N+](=O)[O-])c2)ccc1F,HPJBUFYBNMLLOZ-UHFFFAOYSA-N
-rxn:4:219281:223179,CONC(=O)c1cc(-c2c(C(=O)N3CCN(CC(F)(F)F)CC3)cnn2C)ccc1F,APNVJVSWJMFMQQ-UHFFFAOYSA-N
-rxn:4:219281:226844,Cn1ncc(C(=O)N2CCN(CC(F)(F)F)CC2)c1-c1ccnc(C(=O)C(F)(F)F)c1,KIBITTBLWJNOMV-UHFFFAOYSA-N
-rxn:4:219373:222871,CC(C)CNC(=O)c1ccc(-c2cnn(C3CCN(C(=O)OC(C)(C)C)CC3)n2)cc1Cl,NGQRYHGMJFXPNJ-UHFFFAOYSA-N
-rxn:4:219374:222852,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cccc(CN4CCC(O)CC4)c3)nn2)CC1,SWLDRILOIDXUNQ-UHFFFAOYSA-N
-rxn:4:219403:223179,CONC(=O)c1cc(-c2cnn(CC3CN(C4CCN(C5CC5)C4=O)C3)c2)ccc1F,MSTMDRVBENSLQI-UHFFFAOYSA-N
-rxn:4:219403:226844,O=C1C(N2CC(Cn3cc(-c4ccnc(C(=O)C(F)(F)F)c4)cn3)C2)CCN1C1CC1,NSAVRFNNVDJQGM-UHFFFAOYSA-N
-rxn:4:219404:225829,CC1CCN(c2ncc(-c3cncc(N4CCN(C(=O)OC(C)(C)C)CC4)n3)cn2)CC1,WWPGGSWXJHHTFD-UHFFFAOYSA-N
-rxn:4:219407:222916,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3cccc(C(=O)NC4=NCCS4)c3)cn2)CC1,SVOMESIGTLZEIZ-UHFFFAOYSA-N
-rxn:4:219410:223174,CCS(=O)(=O)Nc1ccc(-c2cnc(OC3CCN(S(=O)(=O)N4CCOCC4)C3)nc2)cc1,PKZYPFNIDKMZII-UHFFFAOYSA-N
-rxn:4:219410:223286,CS(=O)(=O)Nc1cccc(-c2cnc(OC3CCN(S(=O)(=O)N4CCOCC4)C3)nc2)c1,HREDDGIMCYMDBV-UHFFFAOYSA-N
-rxn:4:219441:224756,O=C(c1ccc(F)cc1-c1ccc(CN2CCN(c3nccc(C(F)(F)F)n3)CC2)cc1)N1CCOCC1,SCWHQNQYVKKRTL-UHFFFAOYSA-N
-rxn:4:219452:224653,Cc1nc(-c2ccc(Cl)cc2OCC2CCCCO2)n(C2CCN(C(=O)OC(C)(C)C)CC2)n1,GPYSDNGUTXEOKG-UHFFFAOYSA-N
-rxn:4:219452:226844,Cc1nc(-c2ccnc(C(=O)C(F)(F)F)c2)n(C2CCN(C(=O)OC(C)(C)C)CC2)n1,CLHNSSTYMQADBN-UHFFFAOYSA-N
-rxn:4:219453:226844,CC(C)N1CCC(N2CC(Cn3cc(-c4ccnc(C(=O)C(F)(F)F)c4)cn3)C2)C1=O,HURIUWPRONHUHG-UHFFFAOYSA-N
-rxn:4:219468:226844,O=C(N1CCOCC1)N1CCC(Oc2ncc(-c3ccnc(C(=O)C(F)(F)F)c3)cn2)CC1,OXNNHCSRCUWCGM-UHFFFAOYSA-N
-rxn:4:219501:228692,CSc1ncc(-c2ccc(CN(C)C)s2)c(N2CCOC(C(=O)N3CCOCC3)C2)n1,DSCNRURMCOMQKY-UHFFFAOYSA-N
-rxn:4:219516:223279,CN1CC(CN2CCC(Oc3ncc(-c4cnc(C5CCCN5)nc4)cn3)CC2)CC1=O,CWAYPILIFNTHJS-UHFFFAOYSA-N
-rxn:4:219517:223279,CN1CCC(N2CCCC(COc3ncc(-c4cnc(C5CCCN5)nc4)cn3)C2)C1=O,OVGIUKAKBFJCFT-UHFFFAOYSA-N
-rxn:4:219517:224684,CN1CCC(N2CCCC(COc3ncc(-c4ccc(C(=O)N5CCC(=O)CC5)cc4)cn3)C2)C1=O,BOAHCQWWUYMXTP-UHFFFAOYSA-N
-rxn:4:219517:225004,CN1CCC(N2CCCC(COc3ncc(-c4ccc(CN5CCC(=O)CC5)cc4)cn3)C2)C1=O,UJJFCMPMYZSNGR-UHFFFAOYSA-N
-rxn:4:219536:223179,CONC(=O)c1cc(-c2ccc(C(=O)N3CCCN(S(=O)(=O)c4cn(C)c(C)n4)CC3)o2)ccc1F,DDBQPGOPNVOZNH-UHFFFAOYSA-N
-rxn:4:219538:226501,CCOC(=O)c1cc(-c2cnc(N3CCC(C(=O)N4CCC(F)(F)CC4)CC3)c(C#N)c2)cnc1C,JHOAESXCPSWNTQ-UHFFFAOYSA-N
-rxn:4:219551:225187,CC(C)N1CCC(N2CCC(Oc3ncc(-c4cc(Cl)ccc4CN4CCOCC4)cn3)CC2)C1=O,RTSISEBVQKUVSI-UHFFFAOYSA-N
-rxn:4:219553:226844,Cn1nc(C2CCN(C(=O)c3cc(-c4ccnc(C(=O)C(F)(F)F)c4)ccc3Cl)CC2)n(C2CC2)c1=O,LGTXFJPNYSVVDQ-UHFFFAOYSA-N
-rxn:4:219559:226844,Cc1nn(C)c(C)c1S(=O)(=O)N1CCCN(C(=O)c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)o2)CC1,LHDGYXRDCSVXDQ-UHFFFAOYSA-N
-rxn:4:219565:226844,Cc1cc(C)c(C#N)c(N2CCCN(S(=O)(=O)c3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3)CC2)n1,DVCKCTGCWYMTHY-UHFFFAOYSA-N
-rxn:4:219649:226844,COc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)c(CN2N=NC3C(=O)N(c4ccc(Cl)cc4)C(=O)C32)c1,JUHDZXSJCJNCJK-UHFFFAOYSA-N
-rxn:4:219650:226844,COc1ccc(CN2N=NC3C(=O)N(c4ccc(Cl)cc4)C(=O)C32)cc1-c1ccnc(C(=O)C(F)(F)F)c1,IHKAZVBCRPEKBU-UHFFFAOYSA-N
-rxn:4:219653:224323,Cc1cc(-c2ccc3nc(N4CCN(C(=O)OC(C)(C)C)CC4)sc3n2)cc(C)c1S(=O)(=O)N1CCCC1,IQEGCHSVDZJTFO-UHFFFAOYSA-N
-rxn:4:219654:225984,CC(C)(C)OC(=O)N1CCN(c2ncnc3sc(-c4cnc(Cl)c(N5CCOCC5)c4)cc23)CC1,QNHAXHHRMHJBFV-UHFFFAOYSA-N
-rxn:4:219704:225982,CC(C)(C)OC(=O)N1CCN(c2cnc3ccc(-c4cnc(N5CCOCC5)cc4F)cc3n2)CC1,NFARYBUMDOZREA-UHFFFAOYSA-N
-rxn:4:219707:223279,CC(C)(C)OC(=O)N1CCN(c2ncnc3c(F)c(-c4cnc(C5CCCN5)nc4)c(Cl)cc23)CC1,XPINOUIBIAKWBA-UHFFFAOYSA-N
-rxn:4:219750:226844,COc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)c(C(=O)N2CCCc3cnc(N4CCOCC4)nc32)c1,YRBSHMSPAKWSAJ-UHFFFAOYSA-N
-rxn:4:219759:226844,CCN1CCN(C(=O)c2cc3n(n2)CC(c2ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc2)OC3)CC1,HHTTWXLCWFGBBL-UHFFFAOYSA-N
-rxn:4:219764:225354,CCOc1cc(-c2c(Cl)cc3c(N4CC5CCC(C4)N5C(=O)OC(C)(C)C)nc(F)nc3c2F)cc(C(F)(F)F)c1F,PIZPGEPXTWYUEB-UHFFFAOYSA-N
-rxn:4:219778:224244,CCn1cc(-c2nc(-c3ccc(-c4ccc(Cl)c(C(=O)N5CCC(C)CC5)c4)cc3)no2)c(=O)c2cc(F)c(N3CCC(C)CC3)cc21,CGSIAXPVNJMQQV-UHFFFAOYSA-N
-rxn:4:219880:225281,CSc1ncc(-c2cc(Cl)nc(C(=O)OC(C)(C)C)c2)c(N2CCN(S(C)(=O)=O)CC2)n1,APLVWFZIGRXZMN-UHFFFAOYSA-N
-rxn:4:219959:222935,CN(C)S(=O)(=O)NCc1ccc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)nc2)cc1,YWFLZXNRNLAHGF-UHFFFAOYSA-N
-rxn:4:219959:223766,CC(C)(C)OC(=O)n1c(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)nc2)cc2cc(C#N)ccc21,RPYPIGBQKYPCCD-UHFFFAOYSA-N
-rxn:4:219959:226231,CCCCOc1ncc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)nc2)cc1C,MWDHTPPMYLQRQA-UHFFFAOYSA-N
-rxn:4:219959:226249,CCCCOc1cc(Cl)cc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)nc2)c1,VQIGAYUUZZUTPO-UHFFFAOYSA-N
-rxn:4:219975:223179,CONC(=O)c1cc(-c2cnc(N3CCOC(C(=O)N4CCCCC4)C3)nc2)ccc1F,YOYKFODYCFIYDN-UHFFFAOYSA-N
-rxn:4:219991:223179,CONC(=O)c1cc(-c2cncc(C(=O)N3CCC(N4CC(=O)N(C)C4=O)CC3)c2)ccc1F,ZVHPTCWPFJEMNG-UHFFFAOYSA-N
-rxn:4:219991:226844,CN1C(=O)CN(C2CCN(C(=O)c3cncc(-c4ccnc(C(=O)C(F)(F)F)c4)c3)CC2)C1=O,XHOJBFPLMRBDJL-UHFFFAOYSA-N
-rxn:4:220056:223533,Cc1cc(C)nc(SCc2nc3ccc(Cl)cn3c2-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)cc2F)n1,SFUMZLAOQWAWJL-UHFFFAOYSA-N
-rxn:4:220125:224592,N#CC1(c2ccc(F)c(-c3ccc(Cl)c(C(=O)N4C5CCC4CC(n4cncn4)C5)c3)c2)CCCCC1,PHKFDFSUSLLWTP-UHFFFAOYSA-N
-rxn:4:220131:223179,CONC(=O)c1cc(-c2cnc(N3CC(N4CC5CCCC5C4)C3)c(C#N)c2)ccc1F,UFEKIFFVLJOPOY-UHFFFAOYSA-N
-rxn:4:220136:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc2ncnc(N3CCN(S(=O)(=O)C4CC4)CC3)c2c1,PCCQAOWHVBRNPG-UHFFFAOYSA-N
-rxn:4:220137:224377,CN1CCN(S(=O)(=O)c2ccc(-c3ccc4nc(N5CCN(S(=O)(=O)C6CC6)CC5)ncc4c3)cc2)CC1,DGFARQAHIFBXAC-UHFFFAOYSA-N
-rxn:4:220141:223179,CONC(=O)c1cc(-c2ccc3c(C(=O)N4CCC(N5C(=O)CSC5=O)C4)n(C)nc3c2)ccc1F,ROYUCXJWKCNSCE-UHFFFAOYSA-N
-rxn:4:220158:224009,COc1ccc(-c2ccccc2S(=O)(=O)N2CC3CN(c4cnccn4)CC3C2)cc1S(=O)(=O)N1CCOCC1,KLPXBUIROHGRDF-UHFFFAOYSA-N
-rxn:4:220162:223179,CONC(=O)c1cc(-c2cnc(SC)nc2N2CC(N3CC4CCCC4C3)C2)ccc1F,BCKVCPXSGPOFPF-UHFFFAOYSA-N
-rxn:4:220162:223835,CSc1ncc(-c2cc(S(=O)(=O)N3CCC(C)CC3)c(C)cc2F)c(N2CC(N3CC4CCCC4C3)C2)n1,XXPDETMDIFHJHS-UHFFFAOYSA-N
-rxn:4:220162:226844,CSc1ncc(-c2ccnc(C(=O)C(F)(F)F)c2)c(N2CC(N3CC4CCCC4C3)C2)n1,NXQPSQPJMXZYPF-UHFFFAOYSA-N
-rxn:4:220171:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc4nc(N5CCN(C(=O)c6nc7ccccc7s6)CC5)sc4c3)c(F)cc2C)CC1,PCOYFZCIYLYMGH-UHFFFAOYSA-N
-rxn:4:220204:225093,CCCOc1c(Cl)cc(-c2ccc3ncnc(N4CCOC(C(=O)N5CCOCC5)C4)c3c2)cc1OCC,BIYKFRXKESDUFA-UHFFFAOYSA-N
-rxn:4:220204:226844,O=C(C1CN(c2ncnc3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc23)CCO1)N1CCOCC1,NXPOOPYGABOEPI-UHFFFAOYSA-N
-rxn:4:220205:223179,CONC(=O)c1cc(-c2ccc3nc(N4CCOC(C(=O)N5CCOCC5)C4)ncc3c2)ccc1F,PXYBUPBGRCNEAA-UHFFFAOYSA-N
-rxn:4:220221:224759,CN1CCN(C(=O)c2cc3n(n2)CC(c2ccc(-c4cc(F)cc(C(=O)N5CCOCC5)c4)cc2)OC3)CC1,PQLOBXKQNGGNJO-UHFFFAOYSA-N
-rxn:4:220251:222541,C[C@@H]1Cc2c(ccc3[nH]ncc23)C(c2ccc(-c3ccc(C(=O)NCCN4CCCCC4)cc3)cn2)N1CC(F)(F)F,GKWRAHPUHCKSIX-BPADPFCFSA-N
-rxn:4:220358:223482,CC(C)c1nc(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)cc(-n2ccnc2)n1,QZWFHYWPVSFBMA-UHFFFAOYSA-N
-rxn:4:220429:224968,Cc1ccc(OCC2CCCO2)c(-c2cnc(N3CCCN(C4CCOC4)CC3)nc2)c1,PNKUWLYEBWLRIK-UHFFFAOYSA-N
-rxn:4:220429:225226,CC1CCN(c2cc(-c3cnc(N4CCCN(C5CCOC5)CC4)nc3)c(F)cn2)CC1,KWRRYHSKSXTDSO-UHFFFAOYSA-N
-rxn:4:220497:223687,CC(C)Cn1c(-c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2)nc2c1c(=O)n(C)c(=O)n2C,VQQCJVAIEHRZGK-UHFFFAOYSA-N
-rxn:4:220518:223531,CCN1CCN(c2cnc3ccc(-c4ccc(CN5CCN(C(=O)OC(C)(C)C)CC5)c(Cl)c4)cc3n2)CC1,GKRUQYOIIFKKCX-UHFFFAOYSA-N
-rxn:4:220533:224497,CCN1CCN(Cc2ccc(-c3cnc(N4CC(N5CC6CCCC6C5)C4)nc3)cc2)CC1,WVNJONAFWBMLKI-UHFFFAOYSA-N
-rxn:4:220536:222630,c1nc(N2CCN(C3CCC3)CC2)c2cc(-c3cc(C4CCC4)nc(C4CCNCC4)c3)ccc2n1,GNJMIMLOLTWRHS-UHFFFAOYSA-N
-rxn:4:220542:223660,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc4nc(N5CCN(c6nc7ccccc7s6)CC5)sc4c3)s2)CC1,VIUQOHIHGSWERQ-UHFFFAOYSA-N
-rxn:4:220544:223882,Cc1ccc(N2C(=O)C3N=NN(c4ccc(-c5cc6c(C)cccc6n5C(=O)OC(C)(C)C)c(C)c4)C3C2=O)cc1F,MACSARZMVLDVNU-UHFFFAOYSA-N
-rxn:4:220935:223531,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cnc4ccc(N5CCOCC5)nn34)cc2Cl)CC1,WMNVPWHQKAJCFN-UHFFFAOYSA-N
-rxn:4:221086:223638,COCCc1nsc(N2CC(Cn3cc(-c4cccc(C5CCCN(C(=O)OC(C)(C)C)C5)c4)cn3)C2)n1,CIXCWHYZPXLNAC-UHFFFAOYSA-N
-rxn:4:221098:226844,Cn1cc(C(=O)N2CCC(COc3ncc(-c4ccnc(C(=O)C(F)(F)F)c4)cn3)CC2)c(C(F)F)n1,TVDZOXGPLKESCW-UHFFFAOYSA-N
-rxn:4:221099:226508,Cn1cc(C(=O)N2CCCC(COc3ncc(-c4ccc(OCC5CC5)nc4F)cn3)C2)c(C(F)F)n1,IPUKWLNAPUQEBV-UHFFFAOYSA-N
-rxn:4:221107:226844,Cc1ncn(CC(=O)N2CCCC(COc3ncc(-c4ccnc(C(=O)C(F)(F)F)c4)cn3)C2)c(=O)c1C,GLQAXLOVGWCYEV-UHFFFAOYSA-N
-rxn:4:221108:226844,Cc1ncn(CC(=O)N2CCC(COc3ncc(-c4ccnc(C(=O)C(F)(F)F)c4)cn3)CC2)c(=O)c1C,AGGBUIMAAWUVID-UHFFFAOYSA-N
-rxn:4:221110:223179,CONC(=O)c1cc(-c2cnc(N3CCC(OCC#CCN4CCN(C)CC4)CC3)nc2)ccc1F,HNNCXVYHUIDCAI-UHFFFAOYSA-N
-rxn:4:221114:223279,CCOc1ccc(-c2cnc(C3CCCN3)nc2)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N3CCCC3)n2)CC1,CGQWQMCPMPWTRR-UHFFFAOYSA-N
-rxn:4:221114:223981,CCOc1ccc(-c2ccc(S(=O)(=O)N3CCN(CC)CC3)cc2)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N3CCCC3)n2)CC1,YAPAPSLJHWILEA-UHFFFAOYSA-N
-rxn:4:221115:223279,CCOc1ccc(-c2cnc(C3CCCN3)nc2)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N3CCOCC3)n2)CC1,DWQHRSGETZQDMA-UHFFFAOYSA-N
-rxn:4:221116:223279,CCOc1ccc(-c2cnc(C3CCCN3)nc2)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N3CCCCC3)n2)CC1,TZUWNYFJJOBTCE-UHFFFAOYSA-N
-rxn:4:221117:222518,CC(C)(C)OC(=O)Nc1nc2c(-c3ccc4nc(N(CCN5CCOCC5)C(=O)c5cnccn5)sc4c3)ccc(F)c2s1,HIVWYOYXHMHWNE-UHFFFAOYSA-N
-rxn:4:221126:223179,CCOC(=O)C1CCCN(c2nc3c(S(=O)(=O)c4ccc(-c5ccc(F)c(C(=O)NOC)c5)cc4)nnn3c3ccsc23)C1,UZXNEZDAGVDDQP-UHFFFAOYSA-N
-rxn:4:221127:226844,CCOC(=O)C1CCN(c2nc3c(S(=O)(=O)c4ccc(-c5ccnc(C(=O)C(F)(F)F)c5)cc4)nnn3c3ccsc23)CC1,ZZUPTDSUBGYNCO-UHFFFAOYSA-N
-rxn:4:221128:223179,CCOC(=O)C1CCCN(c2nc3c(S(=O)(=O)c4ccc(-c5ccc(F)c(C(=O)NOC)c5)cc4)nnn3c3ccccc23)C1,TYQNPZQDEOHINU-UHFFFAOYSA-N
-rxn:4:221151:224243,CC1CCCCN1C(=O)c1cc(F)cc(-c2cnc(OCC3CCCN(C(=O)c4cnccn4)C3)nc2)c1,JYHLJMLQNJGCCL-UHFFFAOYSA-N
-rxn:4:221153:222723,N#Cc1ccnc(OCC2CCCN(c3ncc(-c4cccc(NS(=O)(=O)N5CCOCC5)c4)cn3)C2)c1,WWKMGCRVGMZWJA-UHFFFAOYSA-N
-rxn:4:221175:228764,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4ccnc(OC)c4C)cn3)C2)C(=O)C1=O,KBZUUJRHCGXBMP-UHFFFAOYSA-N
-rxn:4:221180:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2cnc(OCC3CCN(C(=O)c4cc(C)n(C)n4)CC3)nc2)CC1,ZOYDQWQHMUZXIV-UHFFFAOYSA-N
-rxn:4:221182:223179,COCCN1C(=O)CN(C2CCN(c3ncc(-c4ccc(F)c(C(=O)NOC)c4)cn3)CC2)C1=O,OFMYPRCLZMULMV-UHFFFAOYSA-N
-rxn:4:221193:223279,CN1CCN(C(=O)N2CCCC(COc3ncc(-c4cnc(C5CCCN5)nc4)cn3)C2)CC1,DVPSRLIHYJOYJZ-UHFFFAOYSA-N
-rxn:4:221194:223179,CONC(=O)c1cc(-c2cnc(OC3CCN(S(=O)(=O)c4cn(C)c(C(C)C)n4)CC3)nc2)ccc1F,JLCBRYXKHXQYDG-UHFFFAOYSA-N
-rxn:4:221202:226844,O=C(c1ccccc1-c1ccnc(C(=O)C(F)(F)F)c1)N1CCN(Cc2nncn2C2CCCCC2)CC1,GQNGGHVLXWKFCZ-UHFFFAOYSA-N
-rxn:4:221203:224292,Cc1cc(-c2ccc(CCN3CCN(c4ccc(N5CCOCC5)nn4)CC3)cc2)ccc1S(=O)(=O)OCC(C)(C)C,XIVWPCHJVRROGL-UHFFFAOYSA-N
-rxn:4:221204:223179,CONC(=O)c1cc(-c2ccc(CCN3CCN(c4nccc(N5CCOCC5)n4)CC3)cc2)ccc1F,QBWBDDBDXWGIJM-UHFFFAOYSA-N
-rxn:4:221204:226844,O=C(c1cc(-c2ccc(CCN3CCN(c4nccc(N5CCOCC5)n4)CC3)cc2)ccn1)C(F)(F)F,CFNYGCDDZBKNBN-UHFFFAOYSA-N
-rxn:4:221205:223179,CONC(=O)c1cc(-c2ccc(CCN3CCN(c4ccnc(N5CCOCC5)n4)CC3)cc2)ccc1F,JHQIZHHLJMSXQQ-UHFFFAOYSA-N
-rxn:4:221205:226844,O=C(c1cc(-c2ccc(CCN3CCN(c4ccnc(N5CCOCC5)n4)CC3)cc2)ccn1)C(F)(F)F,PXYSACFTAKUHJT-UHFFFAOYSA-N
-rxn:4:221206:223179,CONC(=O)c1cc(-c2ccc(CCN3CCN(c4cc(N5CCOCC5)ncn4)CC3)cc2)ccc1F,ZPHUZQGOBZYPEK-UHFFFAOYSA-N
-rxn:4:221208:223179,CONC(=O)c1cc(-c2ccc(CCN3CCN(c4cc(C)nc(N5CCOCC5)n4)CC3)cc2)ccc1F,XWNJTBNEWXBSCG-UHFFFAOYSA-N
-rxn:4:221208:223279,Cc1cc(N2CCN(CCc3ccc(-c4cnc(C5CCCN5)nc4)cc3)CC2)nc(N2CCOCC2)n1,HAOKAAMFWYGCQT-UHFFFAOYSA-N
-rxn:4:221227:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnc(OCC4CCCN(C(=O)c5ccc6nccnc6c5)C4)nc3)c(F)c2)CC1,UKSZCDCXHAJEAZ-JFJJZVRQSA-N
-rxn:4:221249:223057,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc4c(-c5cc(Cl)nc(C6CCCNC6)c5)cnn4c3)cc2)CC1,XTLKGLCPRAQDPC-UHFFFAOYSA-N
-rxn:4:221249:223061,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc4c(-c5cc(C6CCNCC6)ncc5F)cnn4c3)cc2)CC1,IYJBBXFRLRIAOA-UHFFFAOYSA-N
-rxn:4:221250:223179,CONC(=O)c1cc(-c2ccc(C3=NN(C(=O)CN4CCCCC4)C(c4nc5ccccc5[nH]4)C3)cc2)ccc1F,RFAPUSBPBRJVOW-UHFFFAOYSA-N
-rxn:4:221250:223818,CC(C)(C)OC(=O)n1ccc2c(-c3ccc(C4=NN(C(=O)CN5CCCCC5)C(c5nc6ccccc6[nH]5)C4)cc3)c(F)cc(F)c21,FPGZVRUJKCKBQH-UHFFFAOYSA-N
-rxn:4:221252:226844,CCC1CCCCN1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1,NCGXHOSBDOLXTO-UHFFFAOYSA-N
-rxn:4:221263:225373,CCOC(=O)Cn1c(=O)c2c(nc3n2CCCN3c2ccc(-c3cc(OC)c(OC(F)(F)F)cc3Cl)cc2)n(C)c1=O,RKBGYIVKRZHEQI-UHFFFAOYSA-N
-rxn:4:221376:223502,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3cnc(OC4CCN(c5cc(C6CC6)ncn5)CC4)nc3)cc2F)CC1,MADXWJCLJALBHR-UHFFFAOYSA-N
-rxn:4:221395:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3cnc(N4CCC(Cn5cnc(C6CC6)cc5=O)CC4)nc3)c2)CC1,YGQYHHIMHHIYAE-UHFFFAOYSA-N
-rxn:4:221413:226844,O=C(c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)o1)N1CCN(c2cc(N3CCOCC3)ncn2)CC1,YAECGFGXKWJBIC-UHFFFAOYSA-N
-rxn:4:221416:226844,O=C(c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)o1)N1CCN(c2ccc(N3CCCCC3)nn2)CC1,SSUWKTGYIWCJOL-UHFFFAOYSA-N
-rxn:4:221422:223279,O=C(c1cc(-c2cnc(C3CCCN3)nc2)ccc1Cl)N1CCN(c2ccc(N3CCOCC3)nn2)CC1,JJZFMUGXMOIZEP-UHFFFAOYSA-N
-rxn:4:221424:224165,Cc1ccc2c(cnn2C2CCCCO2)c1-c1cccc(CN2CCN(c3ccc(N4CCOCC4)nn3)CC2)c1,JHDOCGJHRBVFPM-UHFFFAOYSA-N
-rxn:4:221431:226844,Cc1cc(N2CCCC2)nc(N2CCN(C(=O)c3ccccc3-c3ccnc(C(=O)C(F)(F)F)c3)CC2)n1,ALGFPPMKVVFTDQ-UHFFFAOYSA-N
-rxn:4:221432:226844,Cc1cc(N2CCCC2)nc(N2CCN(C(=O)c3cccc(-c4ccnc(C(=O)C(F)(F)F)c4)c3)CC2)n1,MPLLZBDWFWTXHJ-UHFFFAOYSA-N
-rxn:4:221433:222742,Cc1cc(N2CCCC2)nc(N2CCN(C(=O)c3ccc(-c4cc(C5CCNCC5)nc(C5CC5)c4)cc3)CC2)n1,NHQFPJZCMUBVFN-UHFFFAOYSA-N
-rxn:4:221433:223179,CONC(=O)c1cc(-c2ccc(C(=O)N3CCN(c4nc(C)cc(N5CCCC5)n4)CC3)cc2)ccc1F,CKQPTNLBCZHLKG-UHFFFAOYSA-N
-rxn:4:221433:226844,Cc1cc(N2CCCC2)nc(N2CCN(C(=O)c3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3)CC2)n1,FDPOHFCTIZHORG-UHFFFAOYSA-N
-rxn:4:221435:226844,O=C(c1cccc(-c2ccnc(C(=O)C(F)(F)F)c2)c1)N1CCN(c2ccc(N3CCCCC3)nn2)CC1,RVEPFCGXYVPZHI-UHFFFAOYSA-N
-rxn:4:221436:223179,CONC(=O)c1cc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCCCC5)nn4)CC3)cc2)ccc1F,MDNCZLICFYVPID-UHFFFAOYSA-N
-rxn:4:221437:223279,O=C(c1ccc(-c2cnc(C3CCCN3)nc2)o1)N1CCN(c2ccc(N3CCCCCC3)nn2)CC1,JECNSBUIJMOFHE-UHFFFAOYSA-N
-rxn:4:221438:226844,CC1CCCCN1c1ccc(N2CCN(C(=O)c3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)o3)CC2)nn1,OJBYEWJBLSQMFH-UHFFFAOYSA-N
-rxn:4:221440:223279,Cc1cc(N2CCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cnc(C5CCCN5)nc4)cc3)CC2)n1,NHVUQHAZQFXNEM-UHFFFAOYSA-N
-rxn:4:221441:223179,CONC(=O)c1cc(-c2cccc(CN3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)c2)ccc1F,XYQRGIKBVJLARU-UHFFFAOYSA-N
-rxn:4:221441:226719,CCOC(=O)c1cnc(Cl)c(-c2cccc(CN3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)c2)c1,NFPOPDKZVQVIBV-UHFFFAOYSA-N
-rxn:4:221444:223179,CONC(=O)c1cc(-c2ccccc2CN2CCN(c3nc(C)cc(N4CCOCC4)n3)CC2)ccc1F,PQWNZMWDKBWESS-UHFFFAOYSA-N
-rxn:4:221445:226844,Cc1cc(N2CCN(Cc3cccc(-c4ccnc(C(=O)C(F)(F)F)c4)c3)CC2)nc(N2CCOCC2)n1,LGAWXHKBBJJDEE-UHFFFAOYSA-N
-rxn:4:221447:223179,CONC(=O)c1cc(-c2ccc(CN3CCN(c4cc(C)nc(N5CCOCC5)n4)CC3)cc2)ccc1F,BVKLAZYNGODGTG-UHFFFAOYSA-N
-rxn:4:221449:223279,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cnc(C5CCCN5)nc4)cc3)CC2)n1,YHSNBDHWKFOOHY-UHFFFAOYSA-N
-rxn:4:221449:226844,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3)CC2)n1,UPPCAZPZGNDMHV-UHFFFAOYSA-N
-rxn:4:221452:223279,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3cccc(-c4cnc(C5CCCN5)nc4)c3)CC2)n1,BTBABCFMFAOEHL-UHFFFAOYSA-N
-rxn:4:221453:226714,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4ccnn4C(=O)OC(C)(C)C)cc3)CC2)n1,OGNLSYQCCYIKMG-UHFFFAOYSA-N
-rxn:4:221453:226844,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3)CC2)n1,AQFIHRDHSGVUAX-UHFFFAOYSA-N
-rxn:4:221455:223279,O=C(c1ccc(-c2cnc(C3CCCN3)nc2)cc1)N1CCN(c2ccc(N3CCCCCC3)nn2)CC1,MBKGWZDXOXVKMI-UHFFFAOYSA-N
-rxn:4:221455:226844,O=C(c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1)N1CCN(c2ccc(N3CCCCCC3)nn2)CC1,WEFWBNGDRGTMDC-UHFFFAOYSA-N
-rxn:4:221456:222805,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(F)c(F)c(N5CCC(O)CC5)c4)cc3)CC2)n1,QQLRBGGOYNDWGV-UHFFFAOYSA-N
-rxn:4:221456:223179,CONC(=O)c1cc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)ccc1F,FIFLGCPSCZLABF-UHFFFAOYSA-N
-rxn:4:221456:227959,Cc1cnc(C2CC2)c(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)c1,IWIMUWMASYMQRO-UHFFFAOYSA-N
-rxn:4:221456:228391,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccc(C(F)(F)F)c4)cc3)CC2)n1,AFERWFLLNQPERQ-UHFFFAOYSA-N
-rxn:4:221602:223499,Cc1cnn(CC2CN(c3ncc(-c4ccc(Cl)c(C(=O)N5CCN(C(=O)OC(C)(C)C)CC5)c4)cn3)C2)c1,UTSGXUNZFGRMPJ-UHFFFAOYSA-N
-rxn:4:221779:225231,CC1CCCCN1c1cc(-c2ccc(S(=O)(=O)c3nnn4c3nc(N3CCC5(CC3)OCCO5)c3ccccc34)cc2)cnc1Cl,BAKZWACOROWYCC-UHFFFAOYSA-N
-rxn:4:221832:224178,CN1CCN(CCOc2cccc(-c3cnc(N4CCN(C5=NS(=O)(=O)c6ccccc65)CC4)nc3)c2)CC1,KPBZNKQMJXIWND-UHFFFAOYSA-N
-rxn:4:221841:223646,Cc1nc(-c2cn3c(n2)-c2ccc(-c4ccc(OC5CCN(C(=O)OC(C)(C)C)C5)cc4)cc2OCC3)n(C(C)C)n1,OYAJFQJSQWEBDW-UHFFFAOYSA-N
-rxn:4:221920:223179,CCOc1ccc(-c2ccc(F)c(C(=O)NOC)c2)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N3CCN(C)CC3)n2)CC1,GWKQBADYHZVNRH-UHFFFAOYSA-N
-rxn:4:221927:223179,CCOc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(F)c(C(=O)NOC)c6)cc5)no4)C3C2=O)cc1,UVYDBRRSUCGSHK-UHFFFAOYSA-N
-rxn:4:221927:226844,CCOc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccnc(C(=O)C(F)(F)F)c6)cc5)no4)C3C2=O)cc1,KVTHZURIAHBPGG-UHFFFAOYSA-N
-rxn:4:221929:226844,Cc1cn2c3c(=O)n(Cc4ccc(-c5ccnc(C(=O)C(F)(F)F)c5)cc4)c(=O)n(C)c3nc2n1CCCN1CCOCC1,JBGBFLNIVNYVMQ-UHFFFAOYSA-N
-rxn:4:221933:222651,CN(C(=O)c1cncc(-c2cc(C(=O)NC3CCCCC3)ccc2F)c1)C1CN(c2nccnc2C#N)C1,BUCGNFPDBQBHJU-UHFFFAOYSA-N
-rxn:4:221961:223828,CCN1CCN(c2cc(-c3cncc(C(=O)N4CCC(Oc5ncc(-c6cnn(C)c6)cn5)CC4)c3)cc(C(F)(F)F)c2)CC1,MVVCVHGGANTJQZ-UHFFFAOYSA-N
-rxn:4:221965:226844,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccnc(C(=O)C(F)(F)F)c5)cc4)CC3)nn2)CC1,QMHKMHDDQVEOIT-UHFFFAOYSA-N
-rxn:4:221978:222684,Clc1cc(-c2cnc(N3CCC(COc4ccc5nc(C6CC6)cn5n4)CC3)nc2)ccc1OCCN1CCNCC1,BNJWGVACOQYDHH-UHFFFAOYSA-N
-rxn:4:221980:222948,CC(C)(C)OC(=O)N1CCN(c2cc(=O)n3nc(-c4cncc(-c5cnc(N6CCC(O)CC6)nc5Cl)c4)sc3n2)CC1,HLWXSLKRVAXOLU-UHFFFAOYSA-N
-rxn:4:221981:223179,CONC(=O)c1cc(-c2cccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C(C)C)cc6)C(=O)C54)n3)c2)ccc1F,TYKIAXBPVJNICY-UHFFFAOYSA-N
-rxn:4:221981:226844,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5cccc(-c6ccnc(C(=O)C(F)(F)F)c6)c5)no4)C3C2=O)cc1,XGCZUOJPAWUUPJ-UHFFFAOYSA-N
-rxn:4:221982:223179,CONC(=O)c1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C(C)C)cc6)C(=O)C54)n3)cc2)ccc1F,YCETZGMQFCWUIW-UHFFFAOYSA-N
-rxn:4:221982:225538,CC(C)COc1cccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C(C)C)cc6)C(=O)C54)n3)cc2)c1C#N,WBQCSNQZDXOSDA-UHFFFAOYSA-N
-rxn:4:221982:226844,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccnc(C(=O)C(F)(F)F)c6)cc5)no4)C3C2=O)cc1,MIOQGLADLQQJBL-UHFFFAOYSA-N
-rxn:4:221983:223279,Cc1cc(C)n2c(-c3cnc(C4CCCN4)nc3)c(CN3CCN(c4ccc(C(F)(F)F)cc4[N+](=O)[O-])CC3)nc2n1,MRXZGLVQOMQWKL-UHFFFAOYSA-N
-rxn:4:221994:225356,CCOc1ccc(C(F)(F)F)c(F)c1-c1ccc(Cn2c(=O)c3c(nc4n(CCN5CCOCC5)c(C)cn34)n(C)c2=O)cc1,JMERZCPOZCYENG-UHFFFAOYSA-N
-rxn:4:221995:226844,Cc1c(C)n2c3c(=O)n(Cc4ccc(-c5ccnc(C(=O)C(F)(F)F)c5)cc4)c(=O)n(C)c3nc2n1CCN1CCOCC1,BBPDUCWWQQKPRE-UHFFFAOYSA-N
-rxn:4:222039:225048,Cc1cc(N2CCN(C)CC2)ccc1-c1ccc(-n2cnnn2)c(C(=O)N2CCN(C3CCS(=O)(=O)C3)CC2)c1,SZOMKZRBPDNOAK-UHFFFAOYSA-N
-rxn:4:222044:224374,COc1ccc(S(=O)(=O)N2CCCC2)cc1-c1ccc(S(=O)(=O)N2CCN(c3ccc(-n4ccc(C)n4)nn3)CC2)cc1,ZXLLVFBWORFVIP-UHFFFAOYSA-N
-rxn:4:222062:223140,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccnc(C5CCCNC5)c4)cc3)CC2)n1,SOVWGIMRRLAWIH-UHFFFAOYSA-N
-rxn:4:222107:224080,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5cccc(-c6ccc(OCCCN7CCCCC7)cc6)c5)no4)C3C2=O)cc1F,GPFRRKFFSJECTE-UHFFFAOYSA-N
-rxn:4:222111:223606,Cc1cc(N2CCCC(COc3ncc(-c4ccc(S(=O)(=O)N5CCC6(CC5)OCCO6)c(F)c4)cn3)C2)n2nc(C)cc2n1,KNPGPRLYJRQJRT-UHFFFAOYSA-N
-rxn:4:222123:223179,CONC(=O)c1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc7c(c6)CCC7)C(=O)C54)n3)cc2)ccc1F,IPRCLYNLBUTTPD-UHFFFAOYSA-N
-rxn:4:222123:226844,O=C1C2N=NN(Cc3nc(-c4ccc(-c5ccnc(C(=O)C(F)(F)F)c5)cc4)no3)C2C(=O)N1c1ccc2c(c1)CCC2,PYXGYPQWPKYLAE-UHFFFAOYSA-N
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-rxn:4:222138:223279,Cn1c(=O)n(CCN2CCOCC2)c(=O)c2c1nc1n2CCCN1c1ccc(-c2cnc(C3CCCN3)nc2)cc1,HVCWXXGVGGZOKC-UHFFFAOYSA-N
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-rxn:4:222161:222546,Cn1nc(C2CCN(c3ncc(-c4ccc(OCCNC5CCCCC5)c(F)c4)cn3)CC2)n(C2CC2)c1=O,XFNLVVFHIOWCTJ-UHFFFAOYSA-N
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-rxn:4:222168:222901,CCCS(=O)(=O)NCc1ccc(-c2cnc(N3CCN(c4cc(C5CCOCC5)ncn4)CC3)nc2)cc1,FZUUGGJHGOLKMR-UHFFFAOYSA-N
-rxn:4:222168:224374,COc1ccc(S(=O)(=O)N2CCCC2)cc1-c1cnc(N2CCN(c3cc(C4CCOCC4)ncn3)CC2)nc1,FBFHKJSHFKCDHM-UHFFFAOYSA-N
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-rxn:4:222322:222465,CN(C)c1cc(N2CCN(c3ncc(-c4cc(C5CCCCC5)nc(C5CCCNC5)c4)cn3)CC2)ncn1,MHQNDALGMARGMR-UHFFFAOYSA-N
-rxn:4:222337:226652,Cc1cc(N2CCOCC2)nc(N2CCN(c3ncc(-c4cc(C)nn4C4CCCCO4)cn3)CC2)n1,IIEOUNPDORBFRE-UHFFFAOYSA-N
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-rxn:4:222543:215106,Cc1nn2c(c1-c1ccc(C3(NC(=O)OC(C)(C)C)CC3)cc1)CN(C(=O)OC(C)(C)C)CC2,GAYVDIGOBQFREB-UHFFFAOYSA-N
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-rxn:4:222810:174514,CC(C)[Si](Oc1cccc(-c2cc(NC(=O)OC(C)(C)C)ncc2Cl)c1)(C(C)C)C(C)C,QGVZRIQPUOEMOP-UHFFFAOYSA-N
-rxn:4:222900:174514,CC(C)[Si](Oc1cccc(-c2csc(CNC(=O)OC(C)(C)C)c2)c1)(C(C)C)C(C)C,MBXRDBWFAGYNBX-UHFFFAOYSA-N
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-rxn:5:177891:227517:225634,Cc1cc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2ccc(OC3COC3)nc2)cnc1N1CCCCC1,YSNKRNAXULLOOO-UHFFFAOYSA-N
-rxn:5:177891:227656:228211,O=C(SC1CS(=O)(=O)CC1c1cc(N2CCCC2)cs1)c1ccccc1-c1cc(N2CCOCC2)cs1,FTFPIKFQBFOJDI-UHFFFAOYSA-N
-rxn:5:177891:227657:225805,CC(c1ccc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2ccc(N3CCOCC3)s2)s1)N1CCOCC1,NGOUDRNOLJNFTO-UHFFFAOYSA-N
-rxn:5:177891:227657:226586,O=C(SC1CS(=O)(=O)CC1c1ccnc(OC2CCOC2)c1)c1ccccc1-c1ccc(N2CCOCC2)s1,VPVSARZULYTZKB-UHFFFAOYSA-N
-rxn:5:177891:228879:226335,N#Cc1cc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2ccnn2C2COC2)ccc1C1COC1,XOHOQTQDEHWFRH-UHFFFAOYSA-N
-rxn:5:177891:228974:227449,CS(=O)(=O)n1cc(-c2ccccc2C(=O)SC2CS(=O)(=O)CC2c2ccc(C3CCOCC3)s2)cn1,ADBJCZDZCQSVEN-UHFFFAOYSA-N
-rxn:5:177970:222404:225926,O=C1NC(=O)C(c2ccc(-c3cc(OCC4CCCC4)cc(-c4ccc(S(=O)(=O)N5CCC5)cc4)c3)cc2)N1,QAGCUHNLIMLGOB-UHFFFAOYSA-N
-rxn:5:178117:225498:227562,COc1ccc(F)c(-c2ccc(-c3cc(C4CCCCC4)ccc3F)cc2OCC2CCOCC2)c1OC,MQEWPFVVZBGRQI-UHFFFAOYSA-N
-rxn:5:178118:225451:226152,COc1cc(C2CC2)cc(-c2ccc(-c3ccc(SC4CCCCC4)cc3)c(OCC3CCCCO3)c2)c1C,STQRWXPYTBPWAG-UHFFFAOYSA-N
-rxn:5:178225:226583:227803,CN(C)S(=O)(=O)n1nccc1-c1c(OCC2CCCCC2)cccc1-c1ccc(CN2CCOCC2)s1,IGHUHSCVWWPECU-UHFFFAOYSA-N
-rxn:5:178295:223004:228469,COC(=O)C1(c2cc(-c3cc([N+](=O)[O-])cnc3C)ccc2-c2ccc(C3CCNCC3)c(F)c2)CCC(=O)CC1,ZSIQJDHNWSYELH-UHFFFAOYSA-N
-rxn:5:178295:223111:222405,COC(=O)C1(c2cc(-c3cccc(C4NC(=O)NC4=O)c3)ccc2-c2cccc3[nH]nc(C(C)C)c23)CCC(=O)CC1,FHGBMPGBJMOHQA-UHFFFAOYSA-N
-rxn:5:178295:223190:228419,CNS(=O)(=O)c1ccc(F)cc1-c1ccc(-c2cc(F)c(SC)cc2F)cc1C1(C(=O)OC)CCC(=O)CC1,SFAMNWRNVWUJKT-UHFFFAOYSA-N
-rxn:5:178295:223203:227821,CCc1c(C)cc(C)cc1-c1ccc(-c2cccc(C3(O)CCC3)c2)c(C2(C(=O)OC)CCC(=O)CC2)c1,DSIIEIHISCKBBE-UHFFFAOYSA-N
-rxn:5:178295:225407:227591,COC(=O)C1(c2cc(-c3ccc(C(F)F)cc3OC)ccc2-c2ccc(C3CCCCCC3)cc2)CCC(=O)CC1,ROQRVNHKSQIOPJ-UHFFFAOYSA-N
-rxn:5:178295:225437:228980,C#Cc1cccc(-c2ccc(-c3cccc(CN4CCCCC4)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,PNSJPWRLAISXPT-UHFFFAOYSA-N
-rxn:5:178295:225886:227084,COC(=O)C1(c2cc(-c3ccc(C(C)(C)C)nc3C)ccc2-c2ccc3c(ccn3S(C)(=O)=O)c2)CCC(=O)CC1,PENMDKLNKRIHTK-UHFFFAOYSA-N
-rxn:5:178295:226068:228791,COC(=O)C1(c2cc(-c3ccc(SC)cc3F)ccc2-c2c(C)cc(C(C)(C)C)cc2C)CCC(=O)CC1,QXMKZPXMYJZHSC-UHFFFAOYSA-N
-rxn:5:178295:226148:227076,CCC(C)c1ccc(F)c(-c2ccc(-c3cccc(C#C[Si](C)(C)C)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,VYVXCLBGRBGEPN-UHFFFAOYSA-N
-rxn:5:178295:226154:228606,CCc1ccc(F)c(-c2ccc(-c3ccc(C(C)(C)C)cc3OC)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,BSTJPZDHKVDPOW-UHFFFAOYSA-N
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-rxn:5:178295:226212:228516,CCc1cc(C)cc(-c2ccc(-c3ccc4c(c3)CCC4=NOC)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,VMOCMAOGJKEKTG-UHFFFAOYSA-N
-rxn:5:178295:226457:227933,CCc1ccc(OC)cc1-c1ccc(-c2ccc(C3CCOC3)c(F)c2)c(C2(C(=O)OC)CCC(=O)CC2)c1,BGBUPZGWUFBRFH-UHFFFAOYSA-N
-rxn:5:178295:226851:228606,CCc1ccc(F)c(-c2ccc(-c3cc(OC)ncc3C(F)(F)F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,HFPVJRBVYWUVFP-UHFFFAOYSA-N
-rxn:5:178295:226912:228564,CCC(C)c1ccc(-c2ccc(-c3cc(C)cc(CC(C)C)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)s1,WFRHGMINBJGCDL-UHFFFAOYSA-N
-rxn:5:178295:226918:228177,COCc1ccc(F)cc1-c1ccc(-c2ccc(C3=CCCC3)cc2)c(C2(C(=O)OC)CCC(=O)CC2)c1,NYUPORSRUXSGHZ-UHFFFAOYSA-N
-rxn:5:178295:226922:227922,CCc1cc(OC)ccc1-c1ccc(-c2c(C)cc(C3CC3)cc2C)c(C2(C(=O)OC)CCC(=O)CC2)c1,RMJHUYHVHASYHS-UHFFFAOYSA-N
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-rxn:5:180377:225407:225470,CC1CCN(c2ccc(-c3cc(C(C)C)c(-c4ccc(C5CCCCCC5)cc4)c(C(C)C)c3)cc2)CC1,QVHXADMOQNEIEJ-UHFFFAOYSA-N
-rxn:5:180402:226146:226059,CC(C)c1ccc(-c2cc(-c3ccc(SC4CCCC4)cc3)ccc2C(=O)C2CCCCC2)c(C(C)C)c1,KLJMNHYKUZUZHA-UHFFFAOYSA-N
-rxn:5:180402:227038:225451,COc1ccc(C(C)C)cc1-c1ccc(C(=O)C2CCCCC2)c(-c2ccc(SC3CCCCC3)cc2)c1,VQLUHUGRCGXYBJ-UHFFFAOYSA-N
-rxn:5:180421:225832:227446,Cc1nn(C2CCCCO2)c(C)c1-c1cc(CC2CCCCC2)ccc1-c1ccc(C2OCCO2)cc1,NCRFADOPSPGLRR-UHFFFAOYSA-N
-rxn:5:180422:225466:226686,Cc1cnn(C2CCCCO2)c1-c1cc(CC2CCCCC2)ccc1-c1ccc(N2CCCCC2C)cc1,YFSJHRUARPQSOU-UHFFFAOYSA-N
-rxn:5:180422:226183:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(CC2CCCCC2)ccc1-c1cnccc1C1CCCCC1,SDOBRGJJUQTQEV-UHFFFAOYSA-N
-rxn:5:180422:226197:226686,Cc1cnn(C2CCCCO2)c1-c1cc(CC2CCCCC2)ccc1-c1ccc(C2CCCOC2)cc1,UBHGIZQFTHERFT-UHFFFAOYSA-N
-rxn:5:180602:223064:226366,COC(=O)C1Cc2cc(-c3ccnc(N4CCCCC4)c3)cc(-c3ccc(C4CCNCC4)nc3F)c2O1,WJTPHPHKISDOHU-UHFFFAOYSA-N
-rxn:5:180662:222956:227710,COC(=O)C1=Cc2cc(-c3ccc(OS(C)(=O)=O)cc3)cc(-c3ccc(C)cc3C3CCCNC3)c2OC1,QWVVRFLOUUYNJE-UHFFFAOYSA-N
-rxn:5:180662:222960:223010,COC(=O)C1=Cc2cc(-c3ccc(C4(O)CCOCC4)cc3)cc(-c3cc(C)cc(C4CCNCC4)c3)c2OC1,HAJJQULUGQIKIJ-UHFFFAOYSA-N
-rxn:5:180662:222986:227507,COC(=O)C1=Cc2cc(-c3cccc(C=C[N+](=O)[O-])c3)cc(-c3cc(C)nc(C4CCCNC4)c3)c2OC1,DLWKTWANRUPSFA-UHFFFAOYSA-N
-rxn:5:180662:222998:227505,COC(=O)C1=Cc2cc(-c3ccc(/C=C/[N+](=O)[O-])cc3)cc(-c3cc(F)cc(C4CCCNC4)c3)c2OC1,LFFAJBNVIIYZMJ-CSKARUKUSA-N
-rxn:5:180662:223138:226144,COC(=O)C1=Cc2cc(-c3ccc(C#C[Si](C)(C)C)cc3)cc(-c3ccnc(C4CCNCC4)c3)c2OC1,QNUZASUTYKCLCN-UHFFFAOYSA-N
-rxn:5:180662:223294:225603,COC(=O)C1=Cc2cc(-c3cccc(C4(C#N)CCC4)c3F)cc(-c3csc(N4CCNCC4)n3)c2OC1,KLYAWJDVDAISHF-UHFFFAOYSA-N
-rxn:5:180662:226144:223131,COC(=O)C1=Cc2cc(-c3ccc(N4CCNCC4)cc3)cc(-c3ccc(C#C[Si](C)(C)C)cc3)c2OC1,UJJUVHDRJDVTLD-UHFFFAOYSA-N
-rxn:5:180662:226586:227803,COC(=O)C1=Cc2cc(-c3ccnn3S(=O)(=O)N(C)C)cc(-c3ccnc(OC4CCOC4)c3)c2OC1,XTRYBUYRHHDIPP-UHFFFAOYSA-N
-rxn:5:181628:225884:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2ccc(C3COCCO3)c(F)c2)cc1C1OCCO1,SPIMGTZMXUQCHK-UHFFFAOYSA-N
-rxn:5:181630:225832:225683,Cc1nc(C2CCCOC2)ccc1-c1c(-c2c(C)nn(C3CCCCO3)c2C)cccc1C1OCCO1,NQNCRUFMZLJVSF-UHFFFAOYSA-N
-rxn:5:181904:222956:222981,Cc1ccc(-c2ccc(C3OCCO3)c(C)c2-c2ccnc(NC3CCCCC3)c2)c(C2CCCNC2)c1,FDWHCEISHPMUQI-UHFFFAOYSA-N
-rxn:5:181905:225607:223134,Cc1ccc(-c2cnccc2C2CCCNC2)c(C2OCCO2)c1-c1ccc(C(C)N2CCCCC2)s1,DKDFCWMNMGZIBX-UHFFFAOYSA-N
-rxn:5:181905:225805:223148,Cc1ccc(-c2ccccc2C2CNCCO2)c(C2OCCO2)c1-c1ccc(C(C)N2CCOCC2)s1,ZKKSVANBWWFAGR-UHFFFAOYSA-N
-rxn:5:181906:225438:225439,Cc1ccc(-c2ccc(C(C)N3CCCC3)cc2)c(C2OCCO2)c1-c1cccc(C(C)N2CCCC2)c1,CAJYYBSUDQSWSM-UHFFFAOYSA-N
-rxn:5:181906:225439:225451,Cc1ccc(-c2cccc(C(C)N3CCCC3)c2)c(C2OCCO2)c1-c1ccc(SC2CCCCC2)cc1,YVVAKIKOXCVEQD-UHFFFAOYSA-N
-rxn:5:181907:222988:225884,Cc1cc(-c2cc(C)nc(C3CCNCC3)c2)c(-c2ccc(C3COCCO3)c(F)c2)c(C2OCCO2)c1,UFYKPIXNGVDKAR-UHFFFAOYSA-N
-rxn:5:181907:225407:225470,Cc1cc(-c2ccc(C3CCCCCC3)cc2)c(-c2ccc(N3CCC(C)CC3)cc2)c(C2OCCO2)c1,DZIUZIZNKCVMHF-UHFFFAOYSA-N
-rxn:5:181907:225639:225462,Cc1cc(-c2cccnc2N2CCC(C)CC2)c(-c2cccc(N3CCC(C)CC3)c2)c(C2OCCO2)c1,BEDFTCKTEUGENO-UHFFFAOYSA-N
-rxn:5:181908:222956:225641,Cc1ccc(-c2cc(C)c(C3OCCO3)cc2-c2ccnc(N3CCCC(C)C3)c2)c(C2CCCNC2)c1,BMASWUFZJASOHB-UHFFFAOYSA-N
-rxn:5:181908:222960:225656,Cc1cc(-c2cc(C)c(C3OCCO3)cc2-c2cncc(N3CCCCC3C)c2)cc(C2CCNCC2)c1,AQSYQJSSBHOOFQ-UHFFFAOYSA-N
-rxn:5:181908:222981:225470,Cc1cc(-c2ccnc(NC3CCCCC3)c2)c(-c2ccc(N3CCC(C)CC3)cc2)cc1C1OCCO1,UQRMRLYFMMDYPC-UHFFFAOYSA-N
-rxn:5:181908:222998:225677,Cc1cc(-c2cc(F)cc(C3CCCNC3)c2)c(-c2ccc(C3CCCCC3)nc2F)cc1C1OCCO1,NFTQNNYCRGPLLG-UHFFFAOYSA-N
-rxn:5:181908:223056:225451,Cc1cc(-c2ccc(N3CCC(O)CC3)nc2)c(-c2ccc(SC3CCCCC3)cc2)cc1C1OCCO1,YGSVXROSWVTWHP-UHFFFAOYSA-N
-rxn:5:181908:223142:225805,Cc1cc(-c2ccc(C3CCCNC3)nc2)c(-c2ccc(C(C)N3CCOCC3)s2)cc1C1OCCO1,YMMYBDHEMUPWDH-UHFFFAOYSA-N
-rxn:5:181908:225466:222981,Cc1cc(-c2ccc(N3CCCCC3C)cc2)c(-c2ccnc(NC3CCCCC3)c2)cc1C1OCCO1,FBCHXWDZHFPRJZ-UHFFFAOYSA-N
-rxn:5:181908:225607:226187,Cc1cc(-c2ccc(C(C)N3CCCCC3)s2)c(-c2cccc(C3CCOCC3)c2)cc1C1OCCO1,IYMLXEZBBMYWDU-UHFFFAOYSA-N
-rxn:5:181908:225640:222960,Cc1cc(-c2cc(C3OCCO3)c(C)cc2-c2ccnc(N3CCCCC3C)c2)cc(C2CCNCC2)c1,UFVCYDKXPVANSQ-UHFFFAOYSA-N
-rxn:5:181908:225656:225589,Cc1cc(-c2cncc(N3CCCCC3C)c2)c(-c2ccc(CN3CCSCC3)cc2)cc1C1OCCO1,HLILDOGZLUNCNG-UHFFFAOYSA-N
-rxn:5:181908:225831:222960,Cc1cc(-c2cc(C3OCCO3)c(C)cc2-c2cnc(N3CCOCC3)c(C)c2)cc(C2CCNCC2)c1,IGKRPDPIYWCCAG-UHFFFAOYSA-N
-rxn:5:181908:226661:225674,Cc1cc(-c2cc(N3CCN(C)CC3)cs2)c(-c2cnc(C3CCCCC3)cc2F)cc1C1OCCO1,DHINCKAJMBXKST-UHFFFAOYSA-N
-rxn:5:182009:225654:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(-c2ccc(N3CCCC(C)C3)nc2)c(C2CCOCC2)c1,MEOFTKIJSLVFPE-UHFFFAOYSA-N
-rxn:5:182009:225832:226663,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2ccc(N3CCSCC3)nc2)cc1C1CCOCC1,YWRBFNVIVJICJK-UHFFFAOYSA-N
-rxn:5:182010:226411:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(C2CCOCC2)c(-c2ccc(N3CCOCC3)cc2)c1,KTMDVZHCJVXOMG-UHFFFAOYSA-N
-rxn:5:182011:222998:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(C2CCOCC2)ccc1-c1cc(F)cc(C2CCCNC2)c1,YJBBFEFFRUZIOJ-UHFFFAOYSA-N
-rxn:5:182012:222956:225636,Cc1ccc(-c2ccc(-c3ccnc(N4CCC(C)CC4)c3)c(C3CCCOC3)c2)c(C2CCCNC2)c1,MHAWPMNXTARWLK-UHFFFAOYSA-N
-rxn:5:182012:222996:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(-c2ccc(F)cc2C2CCCNC2)cc1C1CCCOC1,OERTXJZSEQKMQU-UHFFFAOYSA-N
-rxn:5:182012:225832:226447,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2ccnc(C3CCOCC3)c2)c(C2CCCOC2)c1,JEJWINQJQFSGFT-UHFFFAOYSA-N
-rxn:5:182013:225435:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(-c2ccccc2CN2CCCCC2)cc1C1CCOCC1,KOFYBNCGBHHGRQ-UHFFFAOYSA-N
-rxn:5:182013:226429:226032,COc1cc(-c2ccc(-c3ccc(N4CCCC(C)C4)s3)cc2C2CCOCC2)c(F)c(C(F)(F)F)c1,ZDVKCDRPAPHWLW-UHFFFAOYSA-N
-rxn:5:183189:225451:225499,CC1(C)OCc2cc(-c3ccc(C4CCCCC4)cc3F)cc(-c3ccc(SC4CCCCC4)cc3)c2O1,WTZMLJPVCYGFCK-UHFFFAOYSA-N
-rxn:5:183189:225832:223146,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2cccc(C3CNCCO3)c2)cc2c1OC(C)(C)OC2,IQMDGOGIEDRSOF-UHFFFAOYSA-N
-rxn:5:188387:225943:225833,CCOC(=O)c1nc(-c2ccnc(N3CCCCC3)c2F)ccc1-c1ccc(C(=O)N2CCOCC2)s1,VZGRKELSTLWXQW-UHFFFAOYSA-N
-rxn:5:188867:223062:226583,CC(C)OC(=O)c1cc(-c2ccc(CN3CCOCC3)s2)ncc1-c1cnc(C2CCNCC2)cc1F,BUQHYEGPNPAKOZ-UHFFFAOYSA-N
-rxn:5:188867:223065:226662,CC(C)OC(=O)c1cc(-c2ccc(N3CCN(C)CC3)s2)ncc1-c1ccc(N2CCNCC2)cc1F,ZCLNSSJMUPDEFP-UHFFFAOYSA-N
-rxn:5:188867:225784:225976,CC(C)OC(=O)c1cc(-c2ccnc(N3CCOCC3)c2F)ncc1-c1ccc(CN2CCOCC2)nc1,SKXGFGRALFXVIY-UHFFFAOYSA-N
-rxn:5:188867:225833:225976,CC(C)OC(=O)c1cc(-c2ccnc(N3CCOCC3)c2F)ncc1-c1ccnc(N2CCCCC2)c1F,QOTQRGWRCDNITA-UHFFFAOYSA-N
-rxn:5:188867:225833:226662,CC(C)OC(=O)c1cc(-c2ccc(N3CCN(C)CC3)s2)ncc1-c1ccnc(N2CCCCC2)c1F,AWMQPUTYVYORSY-UHFFFAOYSA-N
-rxn:5:188867:225834:226662,CC(C)OC(=O)c1cc(-c2ccc(N3CCN(C)CC3)s2)ncc1-c1cc(N2CCCCC2)ncc1F,HKYXGVNZSHKNLO-UHFFFAOYSA-N
-rxn:5:188867:225874:225976,CC(C)OC(=O)c1cc(-c2ccnc(N3CCOCC3)c2F)ncc1-c1ccc(F)c(N2CCOCC2)c1,OLBKAYMKZDOQBX-UHFFFAOYSA-N
-rxn:5:188867:225874:225982,CC(C)OC(=O)c1cc(-c2cnc(N3CCOCC3)cc2F)ncc1-c1ccc(F)c(N2CCOCC2)c1,QRJLRFUTUDRGLM-UHFFFAOYSA-N
-rxn:5:188867:225976:225833,CC(C)OC(=O)c1cc(-c2ccnc(N3CCCCC3)c2F)ncc1-c1ccnc(N2CCOCC2)c1F,WLAOZRCCMKSVIW-UHFFFAOYSA-N
-rxn:5:188867:225976:225976,CC(C)OC(=O)c1cc(-c2ccnc(N3CCOCC3)c2F)ncc1-c1ccnc(N2CCOCC2)c1F,YDCAHJJHWSAKES-UHFFFAOYSA-N
-rxn:5:188867:225976:225982,CC(C)OC(=O)c1cc(-c2cnc(N3CCOCC3)cc2F)ncc1-c1ccnc(N2CCOCC2)c1F,AEMQPVKNLFJKOD-UHFFFAOYSA-N
-rxn:5:188867:225976:226583,CC(C)OC(=O)c1cc(-c2ccc(CN3CCOCC3)s2)ncc1-c1ccnc(N2CCOCC2)c1F,WFHPSWWDSSRPQF-UHFFFAOYSA-N
-rxn:5:188867:225976:226661,CC(C)OC(=O)c1cc(-c2cc(N3CCN(C)CC3)cs2)ncc1-c1ccnc(N2CCOCC2)c1F,TXLLZVZFKURBNF-UHFFFAOYSA-N
-rxn:5:188867:225976:226662,CC(C)OC(=O)c1cc(-c2ccc(N3CCN(C)CC3)s2)ncc1-c1ccnc(N2CCOCC2)c1F,QSTVFRKRVVYTPP-UHFFFAOYSA-N
-rxn:5:188867:225980:226661,CC(C)OC(=O)c1cc(-c2cc(N3CCN(C)CC3)cs2)ncc1-c1cc(N2CCOCC2)ncc1F,XQVFREAOBZVBBR-UHFFFAOYSA-N
-rxn:5:188867:225980:226662,CC(C)OC(=O)c1cc(-c2ccc(N3CCN(C)CC3)s2)ncc1-c1cc(N2CCOCC2)ncc1F,NRIGHBKFUBNCSJ-UHFFFAOYSA-N
-rxn:5:188867:225982:225976,CC(C)OC(=O)c1cc(-c2ccnc(N3CCOCC3)c2F)ncc1-c1cnc(N2CCOCC2)cc1F,LOUZHOZJNXZGLV-UHFFFAOYSA-N
-rxn:5:188867:225982:226661,CC(C)OC(=O)c1cc(-c2cc(N3CCN(C)CC3)cs2)ncc1-c1cnc(N2CCOCC2)cc1F,ZWQCUHIFKQZVOE-UHFFFAOYSA-N
-rxn:5:188867:225982:226662,CC(C)OC(=O)c1cc(-c2ccc(N3CCN(C)CC3)s2)ncc1-c1cnc(N2CCOCC2)cc1F,MXOVONDQCXSUBA-UHFFFAOYSA-N
-rxn:5:188867:226583:223062,CC(C)OC(=O)c1cc(-c2cnc(C3CCNCC3)cc2F)ncc1-c1ccc(CN2CCOCC2)s1,RLWJLNCKDHBXNW-UHFFFAOYSA-N
-rxn:5:188867:226583:223063,CC(C)OC(=O)c1cc(-c2cc(F)nc(C3CCNCC3)c2)ncc1-c1ccc(CN2CCOCC2)s1,STESVINXDXCRDZ-UHFFFAOYSA-N
-rxn:5:188867:226583:225833,CC(C)OC(=O)c1cc(-c2ccnc(N3CCCCC3)c2F)ncc1-c1ccc(CN2CCOCC2)s1,AWHXLWSYXVTPIN-UHFFFAOYSA-N
-rxn:5:188867:226583:225976,CC(C)OC(=O)c1cc(-c2ccnc(N3CCOCC3)c2F)ncc1-c1ccc(CN2CCOCC2)s1,UFNPNZHEXAEAFG-UHFFFAOYSA-N
-rxn:5:188867:226583:225982,CC(C)OC(=O)c1cc(-c2cnc(N3CCOCC3)cc2F)ncc1-c1ccc(CN2CCOCC2)s1,XEQPABXOSFLGJE-UHFFFAOYSA-N
-rxn:5:188867:226661:225976,CC(C)OC(=O)c1cc(-c2ccnc(N3CCOCC3)c2F)ncc1-c1cc(N2CCN(C)CC2)cs1,JPNULWSFZKYPKD-UHFFFAOYSA-N
-rxn:5:188867:226662:225976,CC(C)OC(=O)c1cc(-c2ccnc(N3CCOCC3)c2F)ncc1-c1ccc(N2CCN(C)CC2)s1,VHYUJLKNAYVKRQ-UHFFFAOYSA-N
-rxn:5:188868:223062:226583,CC(C)OC(=O)c1ccnc(-c2ccc(CN3CCOCC3)s2)c1-c1cnc(C2CCNCC2)cc1F,PXZXTLFUEKZEHG-UHFFFAOYSA-N
-rxn:5:188868:225943:223063,CC(C)OC(=O)c1ccnc(-c2cc(F)nc(C3CCNCC3)c2)c1-c1ccc(C(=O)N2CCOCC2)s1,AMOCAKLXSXZAKO-UHFFFAOYSA-N
-rxn:5:188868:225976:226661,CC(C)OC(=O)c1ccnc(-c2cc(N3CCN(C)CC3)cs2)c1-c1ccnc(N2CCOCC2)c1F,XDFNWAGBPIIRIJ-UHFFFAOYSA-N
-rxn:5:188868:225976:226662,CC(C)OC(=O)c1ccnc(-c2ccc(N3CCN(C)CC3)s2)c1-c1ccnc(N2CCOCC2)c1F,LBSJZFSNOITEGC-UHFFFAOYSA-N
-rxn:5:188868:225982:226661,CC(C)OC(=O)c1ccnc(-c2cc(N3CCN(C)CC3)cs2)c1-c1cnc(N2CCOCC2)cc1F,XQWPABDTCOFPQE-UHFFFAOYSA-N
-rxn:5:188868:225982:226662,CC(C)OC(=O)c1ccnc(-c2ccc(N3CCN(C)CC3)s2)c1-c1cnc(N2CCOCC2)cc1F,YZAFXVYCQMJBHB-UHFFFAOYSA-N
-rxn:5:188930:227559:226035,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccc(C)c(OC(F)F)c2)cc1-c1c(OC)ccc(C(F)(F)F)c1F,XIDYLOHWEHSJKW-UHFFFAOYSA-N
-rxn:5:188932:226330:226649,COC(=O)c1cc(-c2ccc(C(C)N3CCCC3)s2)c(S(N)(=O)=O)c(-c2cccnc2N2CCOCC2)c1,AQRRQZILMRITSC-UHFFFAOYSA-N
-rxn:5:189001:223065:225976,COC(=O)C1(c2nc(-c3ccnc(N4CCOCC4)c3F)ccc2-c2ccc(N3CCNCC3)cc2F)CC1,YVBSYMUDRDIUQK-UHFFFAOYSA-N
-rxn:5:189001:223065:225982,COC(=O)C1(c2nc(-c3cnc(N4CCOCC4)cc3F)ccc2-c2ccc(N3CCNCC3)cc2F)CC1,VCHSHDDMNYPBHB-UHFFFAOYSA-N
-rxn:5:189001:225874:225976,COC(=O)C1(c2nc(-c3ccnc(N4CCOCC4)c3F)ccc2-c2ccc(F)c(N3CCOCC3)c2)CC1,KXKOKILFVZXHOJ-UHFFFAOYSA-N
-rxn:5:189001:225976:223065,COC(=O)C1(c2nc(-c3ccc(N4CCNCC4)cc3F)ccc2-c2ccnc(N3CCOCC3)c2F)CC1,PWOFASJJQGTJIS-UHFFFAOYSA-N
-rxn:5:189001:225982:223065,COC(=O)C1(c2nc(-c3ccc(N4CCNCC4)cc3F)ccc2-c2cnc(N3CCOCC3)cc2F)CC1,BCOBUTPQEIEQMU-UHFFFAOYSA-N
-rxn:5:189001:227657:225976,COC(=O)C1(c2nc(-c3ccnc(N4CCOCC4)c3F)ccc2-c2ccc(N3CCOCC3)s2)CC1,KTXCGRIGNFBJMR-UHFFFAOYSA-N
-rxn:5:189207:223000:223239,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccc(C3CCCNC3)c(F)c2)ccc1-c1cncc(C2CCCN2)c1,RUKYNGYHAPZOKC-UHFFFAOYSA-N
-rxn:5:189212:222996:226335,N#Cc1cc(-c2ccc(C(=O)ON3C(=O)CCC3=O)cc2-c2ccc(F)cc2C2CCCNC2)ccc1C1COC1,OKLPRDXHRZDVAV-UHFFFAOYSA-N
-rxn:5:189320:225976:226649,CC(C)(C)OC(=O)c1cnc(-c2cccnc2N2CCOCC2)c(-c2ccnc(N3CCOCC3)c2F)c1,UNRBFTXFNNRMRE-UHFFFAOYSA-N
-rxn:5:189321:226649:225976,CC(C)(C)OC(=O)c1nc(-c2cccnc2N2CCOCC2)ccc1-c1ccnc(N2CCOCC2)c1F,HJFWEBGEECBVTQ-UHFFFAOYSA-N
-rxn:5:189448:226346:225987,COC1CN(C(=O)c2ccc(-c3cc(C)cc(OC(C)C)c3F)c(-c3ccc(N4CCCS4(=O)=O)cc3)c2)C1,KTYPIKRGFNQLIC-UHFFFAOYSA-N
-rxn:5:189666:226064:226069,CC(C)(C)[S@@](=O)/N=C/c1ccc(-c2cccc(C3CCCCC3)c2)c(-c2ccc(C3CCCCC3)cc2)c1,NEZSZCVGGBZGHU-WHSVXRIHSA-N
-rxn:5:189667:225407:226918,CC(C)(C)[S@](=O)/N=C/c1cc(-c2ccc(C3=CCCC3)cc2)cc(-c2ccc(C3CCCCCC3)cc2)c1,JDSATZVUNYSCJY-AGWVKNLESA-N
-rxn:5:189668:225440:227045,CC(C)(C)Sc1cccc(-c2ccc(CC(=O)N3CCCC3)c(-c3ccc(C4(C#N)CCCC4)cc3)c2)c1,QUOLIMVLXKNLRA-UHFFFAOYSA-N
-rxn:5:189671:226062:223189,CC(C)c1cc(-c2cccc(-c3ccc(NS(C)(=O)=O)cc3F)c2/C=N/S(=O)C(C)(C)C)cc(C(C)C)c1,FHNDUIKMIHXZGN-KCSSXMTESA-N
-rxn:5:189674:226763:226686,COC(=O)c1c(F)cc(-c2cc(-c3c(C)cnn3C3CCCCO3)ccc2/C=N/S(=O)C(C)(C)C)cc1F,MMNFJMYUEHQBOA-KPGMTVGESA-N
-rxn:5:189676:227045:225451,CC(C)(C)Sc1cccc(-c2cc(CC(=O)N3CCCC3)ccc2-c2ccc(SC3CCCCC3)cc2)c1,ZLOAOPQMZKAUGT-UHFFFAOYSA-N
-rxn:5:189676:227348:225407,COc1ccc(-c2cc(CC(=O)N3CCCC3)ccc2-c2ccc(C3CCCCCC3)cc2)c(C)c1OC,XQINAYANJSLDLN-UHFFFAOYSA-N
-rxn:5:189826:223294:227702,COC(=O)c1cnc(F)c(-c2ccc(CC(=O)N3CCOCC3)c(-c3csc(N4CCNCC4)n3)c2)c1,HDMPHTQMXSICFG-UHFFFAOYSA-N
-rxn:5:189827:223294:227702,COC(=O)c1cnc(F)c(-c2ccc(CC(=O)N3CCOCC3)cc2-c2csc(N3CCNCC3)n2)c1,RLIIYHDKAYBOCF-UHFFFAOYSA-N
-rxn:5:189827:225622:226135,Cc1cc(C#N)c(C2CC2)cc1-c1ccc(CC(=O)N2CCOCC2)cc1-c1ccccc1OC1CCCCO1,CMEPKBOADRFUJZ-UHFFFAOYSA-N
-rxn:5:189952:222417:225655,COc1c(-c2cncc(N3CCC(C)CC3)c2)cc(C(=O)N2CCOCC2)cc1-c1cnc(=O)[nH]c1C(C)C,BHHBCRZXNLDYRG-UHFFFAOYSA-N
-rxn:5:189952:227769:226181,COc1ncc([N+](=O)[O-])cc1-c1cc(C(=O)N2CCOCC2)cc(-c2ccc(C3=CCCCC3)nc2)c1OC,WXXPNVPXIWCTIY-UHFFFAOYSA-N
-rxn:5:189952:228703:226679,COc1c(-c2cnn(C3CCC3)c2)cc(C(=O)N2CCOCC2)cc1-c1cnc(N2CCCC2)cc1F,AXDNMWWNXDWPQS-UHFFFAOYSA-N
-rxn:5:190000:226062:223286,CC(C)c1cc(-c2cc(-c3cccc(NS(C)(=O)=O)c3)ccc2CC(=O)N2CCCCC2)cc(C(C)C)c1,LWOAYQLAFMSYDN-UHFFFAOYSA-N
-rxn:5:190000:227045:225435,CC(C)(C)Sc1cccc(-c2cc(-c3ccccc3CN3CCCCC3)ccc2CC(=O)N2CCCCC2)c1,NQRGPPZQURIZDF-UHFFFAOYSA-N
-rxn:5:190000:227045:226064,CC(C)(C)Sc1cccc(-c2cc(-c3ccc(C4CCCCC4)cc3)ccc2CC(=O)N2CCCCC2)c1,CFPIPHGFTKNRQB-UHFFFAOYSA-N
-rxn:5:190001:226191:227045,CC(C)(C)Sc1cccc(-c2ccc(CC(=O)N3CCCCC3)cc2-c2cc(C3CCCC3)ccc2F)c1,NAYNMZDDINZKOH-UHFFFAOYSA-N
-rxn:5:190001:227045:225499,CC(C)(C)Sc1cccc(-c2cc(CC(=O)N3CCCCC3)ccc2-c2ccc(C3CCCCC3)cc2F)c1,OVSYTLICKXJEOZ-UHFFFAOYSA-N
-rxn:5:190127:226146:227561,COc1cc(F)c(-c2ccc(-c3ccc(SC4CCCC4)cc3)cc2C(=O)N2CCC(OC)CC2)cc1OC,VDNAVWDLDRZPJK-UHFFFAOYSA-N
-rxn:5:190127:227922:226189,CCc1cc(OC)ccc1-c1ccc(-c2ccc(C3CCCC3)c(F)c2)c(C(=O)N2CCC(OC)CC2)c1,GGVUWHQDNUTSCW-UHFFFAOYSA-N
-rxn:5:190128:226146:227067,COc1ccc(-c2cc(C(=O)N3CCC(OC)CC3)ccc2-c2ccc(SC3CCCC3)cc2)c(C2CC2)c1,ADJJMRGLLJGMAD-UHFFFAOYSA-N
-rxn:5:190128:226191:228184,COc1ccc(-c2cc(C(=O)N3CCC(OC)CC3)ccc2-c2cc(C3CCCC3)ccc2F)cc1SC,DWJLXOPIMBRBFS-UHFFFAOYSA-N
-rxn:5:190131:225453:227872,COc1c(-c2cccc(SC3CCCCC3)c2)cc(C(=O)N2CCCCC2)cc1-c1ccc2c(c1)CCC2=O,PTDVJNXPTFTHHO-UHFFFAOYSA-N
-rxn:5:190131:225499:227922,CCc1cc(OC)ccc1-c1cc(C(=O)N2CCCCC2)cc(-c2ccc(C3CCCCC3)cc2F)c1OC,ISGJZHCOPZMSCZ-UHFFFAOYSA-N
-rxn:5:190131:226062:228567,CCC(C)c1sccc1-c1cc(C(=O)N2CCCCC2)cc(-c2cc(C(C)C)cc(C(C)C)c2)c1OC,QDAZPCNIKWPWAP-UHFFFAOYSA-N
-rxn:5:190131:226189:227932,COCc1ccc(C)c(-c2cc(C(=O)N3CCCCC3)cc(-c3ccc(C4CCCC4)c(F)c3)c2OC)c1,VHAAKDYBPVZGLJ-UHFFFAOYSA-N
-rxn:5:190194:227067:226189,COc1ccc(-c2cccc(CN3CCC(OC)CC3)c2-c2ccc(C3CCCC3)c(F)c2)c(C2CC2)c1,RTWJORLPGDYNOJ-UHFFFAOYSA-N
-rxn:5:190195:223006:223113,CN(Cc1ccc(-c2ccc(F)c(C3CCNCC3)c2)c(-c2ccc3c(c2)C(C)(C)C(=O)N3)c1)C1CCOCC1,XTTDRVAQPMGCTH-UHFFFAOYSA-N
-rxn:5:190195:226187:227377,CN(Cc1ccc(-c2cccc(C3CCOCC3)c2)c(-c2cncnc2C2CCCC2)c1)C1CCOCC1,ZYUYMBYUMWKUFB-UHFFFAOYSA-N
-rxn:5:190195:227960:225655,CC1CCN(c2cncc(-c3cc(CN(C)C4CCOCC4)ccc3-c3ccncc3C3CCC3)c2)CC1,YNTCFJLKQCIDLD-UHFFFAOYSA-N
-rxn:5:190197:225507:227935,CCc1cc(-c2ccc(CN(C)C3CCOCC3)c(-c3ccc4c(c3)CCC4C(=O)OC)c2)ccc1OC,ISXDEDILNRUUFY-UHFFFAOYSA-N
-rxn:5:190197:226042:222417,CC(C)c1[nH]c(=O)ncc1-c1ccc(CN(C)C2CCOCC2)c(-c2ccc([N+](=O)[O-])cc2C(F)(F)F)c1,CPBNUWJXVVCGSV-UHFFFAOYSA-N
-rxn:5:190197:227458:225976,CN1CCOc2cc(-c3cc(-c4ccnc(N5CCOCC5)c4F)ccc3CN(C)C3CCOCC3)cnc21,VUNJSOBXLGLRMC-UHFFFAOYSA-N
-rxn:5:190199:225886:225438,CC(c1ccc(-c2ccc(-c3ccc4c(ccn4S(C)(=O)=O)c3)c(CN(C)C3CCOCC3)c2)cc1)N1CCCC1,ALSGZWOEHPHERH-UHFFFAOYSA-N
-rxn:5:190200:223357:225794,CC(=O)Nc1ccccc1-c1cc(CN(C)C2CCOCC2)cc(-c2cnc(OC3CCCCC3)nc2)c1,SZQXJSKZDHVMHX-UHFFFAOYSA-N
-rxn:5:190201:227316:223113,CC(C)Cc1cc(-c2ccc(-c3ccc4c(c3)C(C)(C)C(=O)N4)c(CCN3CCOC(C)C3)c2)cc(F)n1,SFHZOFVZNWCLLZ-UHFFFAOYSA-N
-rxn:5:190231:223061:222417,COc1c(-c2cc(C3CCNCC3)ncc2F)cc(C(=O)N2CCOC(C)C2)cc1-c1cnc(=O)[nH]c1C(C)C,AWEHVSZSQWOHEC-UHFFFAOYSA-N
-rxn:5:190231:227045:227922,CCc1cc(OC)ccc1-c1cc(C(=O)N2CCOC(C)C2)cc(-c2cccc(SC(C)(C)C)c2)c1OC,CNGWFCMZLCVFLF-UHFFFAOYSA-N
-rxn:5:190264:225886:226062,CC1CCN(C(=O)Cc2ccc(-c3cc(C(C)C)cc(C(C)C)c3)c(-c3ccc4c(ccn4S(C)(=O)=O)c3)c2)CC1,RXRXZRKBNZRVFS-UHFFFAOYSA-N
-rxn:5:190264:227052:223288,CNS(=O)(=O)c1cccc(-c2ccc(CC(=O)N3CCC(C)CC3)cc2-c2ccc(SC(C)(C)C)cc2)c1,CIPMDSXCPBKSSJ-UHFFFAOYSA-N
-rxn:5:190336:225625:228223,COc1c(-c2cc(OC3CCCC3)ccc2F)cc(C(=O)N2CCCC(C)C2)cc1-c1ccc(C2CC2)nc1F,ZMJBZFLBMDHHCN-UHFFFAOYSA-N
-rxn:5:190336:225806:222960,COc1c(-c2cc(C)cc(C3CCNCC3)c2)cc(C(=O)N2CCCC(C)C2)cc1-c1cnc(OC2CCCC2)cc1F,FEOBNXFCTIQWND-UHFFFAOYSA-N
-rxn:5:190336:227045:227935,CCc1cc(-c2cc(C(=O)N3CCCC(C)C3)cc(-c3cccc(SC(C)(C)C)c3)c2OC)ccc1OC,NTBYLZCPQOCXBC-UHFFFAOYSA-N
-rxn:5:190336:227941:227279,COCc1cc(C)cc(-c2cc(C(=O)N3CCCC(C)C3)cc(-c3cc(C4CC4)nn3C(C)C)c2OC)c1,WDMPJDAOUGRVGU-UHFFFAOYSA-N
-rxn:5:190353:226030:225805,COc1c(F)cc(-c2ccc(-c3ccc(C(C)N4CCOCC4)s3)c(C(=O)N3CCC(c4ccccc4)C3)c2)cc1C(F)(F)F,MCYNYBHEUZIDHO-UHFFFAOYSA-N
-rxn:5:190404:225439:225886,CC(c1cccc(-c2ccc(C(=O)N3CCSC(c4ccccc4-c4ccc5c(ccn5S(C)(=O)=O)c4)CC3)o2)c1)N1CCCC1,FYVFOUHRYKUIAJ-UHFFFAOYSA-N
-rxn:5:190459:223285:226151,Cc1cc(OC(C)C)c(-c2ccccc2C2CCN(C(=O)c3ccccc3-c3ccccc3NS(C)(=O)=O)CCS2)cc1C,YPKBTDNNIFDECK-UHFFFAOYSA-N
-rxn:5:190484:223147:223147,O=C(c1cccc(-c2ccc(C3CNCCO3)cc2)c1)N1CCC(c2ccccc2-c2ccc(C3CNCCO3)cc2)S(=O)(=O)CC1,QPTCOMFTSRCAOW-UHFFFAOYSA-N
-rxn:5:190484:223241:227501,O=C(c1cccc(-c2cncc(C3CCNC3)c2)c1)N1CCC(c2ccccc2-c2ccc(C=C[N+](=O)[O-])cc2)S(=O)(=O)CC1,HDRRCUAWIHUOHR-UHFFFAOYSA-N
-rxn:5:190484:226059:228591,CC(C)c1ccc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4ccncc4C(C)C)S(=O)(=O)CC3)c2)c(C(C)C)c1,BBCGPUPAWOGNLK-UHFFFAOYSA-N
-rxn:5:190484:226183:227912,COC(C)c1ccc(-c2ccccc2C2CCN(C(=O)c3cccc(-c4cnccc4C4CCCCC4)c3)CCS2(=O)=O)cc1,OPLJINZTDFFCBD-UHFFFAOYSA-N
-rxn:5:190484:227449:225985,O=C(c1cccc(-c2ccc(C3CCOCC3)s2)c1)N1CCC(c2ccccc2-c2cccc(N3CCCS3(=O)=O)c2)S(=O)(=O)CC1,XAXPQURSZNQGSL-UHFFFAOYSA-N
-rxn:5:190484:227449:228965,O=C(c1cccc(-c2ccc(C3CCOCC3)s2)c1)N1CCC(c2ccccc2-c2ccc([N+](=O)[O-])nc2)S(=O)(=O)CC1,WKPGMCZFPSWNFY-UHFFFAOYSA-N
-rxn:5:190484:227912:226176,COC(C)c1ccc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4ccncc4C4CCCCC4)S(=O)(=O)CC3)c2)cc1,ASHXBDIPSDOQSY-UHFFFAOYSA-N
-rxn:5:190484:227964:226326,CC1(c2cncc(-c3cccc(C(=O)N4CCC(c5ccccc5-c5cccc(C6(C#N)CC6)c5F)S(=O)(=O)CC4)c3)c2)CC1,YAGLNVFJXUGWPV-UHFFFAOYSA-N
-rxn:5:190484:227965:226058,Cc1ccnc(C(C)C)c1-c1cccc(C(=O)N2CCC(c3ccccc3-c3c(C(C)C)cccc3C(C)C)S(=O)(=O)CC2)c1,QTKRNNDODLEGMX-UHFFFAOYSA-N
-rxn:5:190484:227972:226058,CC(C)c1cccc(C(C)C)c1-c1ccccc1C1CCN(C(=O)c2cccc(-c3cncc(C4CCC4)c3)c2)CCS1(=O)=O,RSGWVSUMQRJKEW-UHFFFAOYSA-N
-rxn:5:190484:228610:226437,CC(C)(C)c1ccc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4cc(C5CCCC5)ncc4F)S(=O)(=O)CC3)c2)s1,ANCSIIFXOSMYEJ-UHFFFAOYSA-N
-rxn:5:190484:228615:226589,CSc1ccc(C)cc1-c1cccc(C(=O)N2CCC(c3ccccc3-c3cc(C(F)F)ncc3C(C)C)S(=O)(=O)CC2)c1,TWGIWEOHEKGTMJ-UHFFFAOYSA-N
-rxn:5:190484:229012:226432,CC(C)c1ccsc1-c1cccc(C(=O)N2CCC(c3ccccc3-c3ccc(C4CCCC4)nc3F)S(=O)(=O)CC2)c1,DXUYTPISLVZLKV-UHFFFAOYSA-N
-rxn:5:190580:223063:225607,CCOC(=O)c1[nH]c2ccc(-c3ccc(C(C)N4CCCCC4)s3)cc2c1-c1cc(F)nc(C2CCNCC2)c1,LRQPSXUNXJZTLF-UHFFFAOYSA-N
-rxn:5:190580:223063:225805,CCOC(=O)c1[nH]c2ccc(-c3ccc(C(C)N4CCOCC4)s3)cc2c1-c1cc(F)nc(C2CCNCC2)c1,DAFDRRFWGOWNKH-UHFFFAOYSA-N
-rxn:5:190585:223063:225607,CCOC(=O)c1[nH]c2cc(-c3ccc(C(C)N4CCCCC4)s3)ccc2c1-c1cc(F)nc(C2CCNCC2)c1,MBVYYZQDBHIQMN-UHFFFAOYSA-N
-rxn:5:190585:223063:225805,CCOC(=O)c1[nH]c2cc(-c3ccc(C(C)N4CCOCC4)s3)ccc2c1-c1cc(F)nc(C2CCNCC2)c1,YWOQKJWDYILADB-UHFFFAOYSA-N
-rxn:5:190645:225607:223058,CCOC(=O)c1cnc2ccc(-c3ccc(C(C)N4CCCCC4)s3)cc2c1-c1cc(F)nc(C2CCCNC2)c1,XXAKNSHTDWKVTE-UHFFFAOYSA-N
-rxn:5:190645:225607:223063,CCOC(=O)c1cnc2ccc(-c3ccc(C(C)N4CCCCC4)s3)cc2c1-c1cc(F)nc(C2CCNCC2)c1,ACGQGKAWHHUPFD-UHFFFAOYSA-N
-rxn:5:190645:225607:225833,CCOC(=O)c1cnc2ccc(-c3ccc(C(C)N4CCCCC4)s3)cc2c1-c1ccnc(N2CCCCC2)c1F,HRSWMQIJCFRCBM-UHFFFAOYSA-N
-rxn:5:190645:225805:223058,CCOC(=O)c1cnc2ccc(-c3ccc(C(C)N4CCOCC4)s3)cc2c1-c1cc(F)nc(C2CCCNC2)c1,RREZOIPZZJGFMT-UHFFFAOYSA-N
-rxn:5:190645:225805:223063,CCOC(=O)c1cnc2ccc(-c3ccc(C(C)N4CCOCC4)s3)cc2c1-c1cc(F)nc(C2CCNCC2)c1,JKNLCNKXRVBJOF-UHFFFAOYSA-N
-rxn:5:190649:225607:223058,CCOC(=O)c1cnc2cc(-c3ccc(C(C)N4CCCCC4)s3)ccc2c1-c1cc(F)nc(C2CCCNC2)c1,GVMZEBFRRRQCCI-UHFFFAOYSA-N
-rxn:5:190649:225607:223063,CCOC(=O)c1cnc2cc(-c3ccc(C(C)N4CCCCC4)s3)ccc2c1-c1cc(F)nc(C2CCNCC2)c1,BCFHYILDTPRYKU-UHFFFAOYSA-N
-rxn:5:190649:225607:225833,CCOC(=O)c1cnc2cc(-c3ccc(C(C)N4CCCCC4)s3)ccc2c1-c1ccnc(N2CCCCC2)c1F,SSSJZQDOESLYPA-UHFFFAOYSA-N
-rxn:5:190649:225805:223058,CCOC(=O)c1cnc2cc(-c3ccc(C(C)N4CCOCC4)s3)ccc2c1-c1cc(F)nc(C2CCCNC2)c1,ZKKKGKLOXQOWDU-UHFFFAOYSA-N
-rxn:5:190649:225805:223063,CCOC(=O)c1cnc2cc(-c3ccc(C(C)N4CCOCC4)s3)ccc2c1-c1cc(F)nc(C2CCNCC2)c1,JTHSLVXUPWESSS-UHFFFAOYSA-N
-rxn:5:190651:223063:225607,CCOC(=O)c1cc(-c2cc(F)nc(C3CCNCC3)c2)c2nccc(-c3ccc(C(C)N4CCCCC4)s3)c2c1,KNZUDNKSPKTCDM-UHFFFAOYSA-N
-rxn:5:190651:223063:225805,CCOC(=O)c1cc(-c2cc(F)nc(C3CCNCC3)c2)c2nccc(-c3ccc(C(C)N4CCOCC4)s3)c2c1,FFCDUPGRTBYCEH-UHFFFAOYSA-N
-rxn:5:190740:225639:225833,CCOC(=O)c1cnc2c(C)cc(-c3cccnc3N3CCC(C)CC3)cc2c1-c1ccnc(N2CCCCC2)c1F,MDNJOBZDCGCESR-UHFFFAOYSA-N
-rxn:5:190740:225640:225833,CCOC(=O)c1cnc2c(C)cc(-c3ccnc(N4CCCCC4C)c3)cc2c1-c1ccnc(N2CCCCC2)c1F,XALLQIQCANVKAL-UHFFFAOYSA-N
-rxn:5:190740:225641:225833,CCOC(=O)c1cnc2c(C)cc(-c3ccnc(N4CCCC(C)C4)c3)cc2c1-c1ccnc(N2CCCCC2)c1F,YAGCXJIQEWCMDH-UHFFFAOYSA-N
-rxn:5:190740:225833:225640,CCOC(=O)c1cnc2c(C)cc(-c3ccnc(N4CCCCC4)c3F)cc2c1-c1ccnc(N2CCCCC2C)c1,INMFSYXFXXBGIT-UHFFFAOYSA-N
-rxn:5:190740:225833:225833,CCOC(=O)c1cnc2c(C)cc(-c3ccnc(N4CCCCC4)c3F)cc2c1-c1ccnc(N2CCCCC2)c1F,KCTYHVWFWSCTBD-UHFFFAOYSA-N
-rxn:5:190740:225849:223056,CCOC(=O)c1cnc2c(C)cc(-c3cnc(N4CCCCC4)cc3F)cc2c1-c1ccc(N2CCC(O)CC2)nc1,OTBKSUXALRQUEC-UHFFFAOYSA-N
-rxn:5:190740:225849:223064,CCOC(=O)c1cnc2c(C)cc(-c3cnc(N4CCCCC4)cc3F)cc2c1-c1ccc(C2CCNCC2)nc1F,JBNDJCJQDDTJHM-UHFFFAOYSA-N
-rxn:5:190740:225976:225849,CCOC(=O)c1cnc2c(C)cc(-c3ccnc(N4CCOCC4)c3F)cc2c1-c1cnc(N2CCCCC2)cc1F,IWWHZSKOVPIJME-UHFFFAOYSA-N
-rxn:5:190741:225834:225784,CCOC(=O)c1cnc2c(-c3cc(N4CCCCC4)ncc3F)cc(C)cc2c1-c1ccc(CN2CCOCC2)nc1,AMNBLKCKHXZBBR-UHFFFAOYSA-N
-rxn:5:190741:225976:225633,CCOC(=O)c1cnc2c(-c3ccnc(N4CCOCC4)c3F)cc(C)cc2c1-c1ccc(N2CCCCCC2)nc1,JMZWPMITVVNECD-UHFFFAOYSA-N
-rxn:5:190741:225982:223062,CCOC(=O)c1cnc2c(-c3cnc(N4CCOCC4)cc3F)cc(C)cc2c1-c1cnc(C2CCNCC2)cc1F,VVISUYXGJXEAHB-UHFFFAOYSA-N
-rxn:5:190742:223056:225976,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(N4CCC(O)CC4)nc3)c2c1-c1ccnc(N2CCOCC2)c1F,UHEUNKUINAMMTO-UHFFFAOYSA-N
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-rxn:5:193869:227960:226395,Cc1cc(-c2ccncc2C2CCC2)c(S(=O)(=O)N2CCCCC2)cc1-c1cncc(N2CCCCC2)c1,WHJQKXOQQWWAJC-UHFFFAOYSA-N
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-rxn:5:193870:225849:228588,CC#Cc1cc(-c2cc(-c3cnc(N4CCCCC4)cc3F)c(C)cc2S(=O)(=O)N2CCCCC2)ccn1,KNRFTEVPNGKPPH-UHFFFAOYSA-N
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-rxn:5:193870:227386:227807,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cccc3c2CCCC3)cc1-c1cnn(C2CCCCC2)c1,VGXCUDZQPQGYRU-UHFFFAOYSA-N
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-rxn:5:193870:227403:227823,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2ccccc2C(C)(C)C)cc1-c1ccc(N2CCCCC2)s1,IIEOTJLPJYONIX-UHFFFAOYSA-N
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-rxn:5:193870:227801:227376,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cncc(N3CCCC3)c2)cc1-c1c(C(F)(F)F)ccnc1F,LOVFADHNLQZEQB-UHFFFAOYSA-N
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-rxn:5:193870:228201:226422,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cc(F)ccc2N2CCCC2)cc1-c1cnc(C2CCC2)nc1,WRELYDMLYFEBDI-UHFFFAOYSA-N
-rxn:5:193870:228201:226441,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2ccc(N3CCCC3)cc2F)cc1-c1cnc(C2CCC2)nc1,BQEOPGLWKJEROZ-UHFFFAOYSA-N
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-rxn:5:193870:228321:225576,COC(=O)c1cncc(-c2cc(-c3ccc(N4CCCC4)c(C#N)c3)c(S(=O)(=O)N3CCCCC3)cc2C)c1,IIDRGKSQSNZTRS-UHFFFAOYSA-N
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-rxn:5:193972:225634:228630,CCc1cc(F)cc(-c2cc(S(=O)(=O)N3CCCCCC3)c(-c3cnc(N4CCCCC4)c(C)c3)cc2C)c1,BFPHXTBCANNMHS-UHFFFAOYSA-N
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-rxn:5:193972:227828:227381,Cc1cc(-c2cccc(C3CC3)c2C)c(S(=O)(=O)N2CCCCCC2)cc1-c1cnc(C2CCCC2)nc1,JGTJKAWYPGZWEI-UHFFFAOYSA-N
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-rxn:5:196408:226045:226037,COc1c(C(F)(F)F)ccc(-c2ccc(C3=NOCCO3)c(-c3ccc(C(F)(F)C(F)(F)F)nc3)c2)c1F,SNBLCBFXQZEMGF-UHFFFAOYSA-N
-rxn:5:196408:226686:226428,Cc1cnn(C2CCCCO2)c1-c1cc(-c2cc(N3CCCCC3C)cs2)ccc1C1=NOCCO1,NUSJTXLZMSWEMR-UHFFFAOYSA-N
-rxn:5:196670:225832:225672,Cc1nn(C2CCCCO2)c(C)c1-c1ccnc(-c2cc(F)nc(C3CCCCC3)c2)c1C1CCCC1,LPPFOYVVMOEUND-UHFFFAOYSA-N
-rxn:5:196789:225881:225655,CC1CCN(c2cncc(-c3cc(-c4ccc(C5CCOCC5)nc4F)ccc3N3CCOCC3=O)c2)CC1,PYPGPOUZPPTYQJ-UHFFFAOYSA-N
-rxn:5:196794:225978:226583,O=C1COCCN1c1cc(-c2ccc(N3CCOCC3)nc2F)ccc1-c1ccc(CN2CCOCC2)s1,BEWJZZWXDCWUFU-UHFFFAOYSA-N
-rxn:5:196858:222958:222985,Cc1ccc(-c2cnc(C3CCOCC3)cc2-c2ccc(C3CCCNC3)nc2C)cc1C1CCNCC1,XBCXJCYNECAXGS-UHFFFAOYSA-N
-rxn:5:196859:223148:225832,Cc1nn(C2CCCCO2)c(C)c1-c1nccc(C2CCOCC2)c1-c1ccccc1C1CNCCO1,ZMMAWPDIIGAMEY-UHFFFAOYSA-N
-rxn:5:196918:225986:225849,O=C1CCCCN1c1cccc(-c2ccccc2N2CCCS2(=O)=O)c1-c1cnc(N2CCCCC2)cc1F,IRXBPHKESYBQRJ-UHFFFAOYSA-N
-rxn:5:196919:226033:226175,COc1cc(-c2ccc(C3=NC(C)(C)CO3)c(-c3ccc(N4CCCC4)cc3C)c2)cc(C(F)(F)F)c1F,UVMBZMOABDLBTC-UHFFFAOYSA-N
-rxn:5:196969:225407:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(C2CCCCC2)ncc1-c1ccc(C2CCCCCC2)cc1,WMNBKKIIYZVKSG-UHFFFAOYSA-N
-rxn:5:196970:225407:222956,Cc1ccc(-c2nccc(C3CCCCC3)c2-c2ccc(C3CCCCCC3)cc2)c(C2CCCNC2)c1,IKQGEYXRLABWHL-UHFFFAOYSA-N
-rxn:5:196970:226649:225832,Cc1nn(C2CCCCO2)c(C)c1-c1nccc(C2CCCCC2)c1-c1cccnc1N1CCOCC1,VKBCARQTZCJZTD-UHFFFAOYSA-N
-rxn:5:196971:222956:225438,Cc1ccc(-c2cc(-c3ccc(C(C)N4CCCC4)cc3)c(C3CCCCC3)cn2)c(C2CCCNC2)c1,FWVXLKKTJFSTJU-UHFFFAOYSA-N
-rxn:5:196971:222959:225462,Cc1cc(-c2cc(-c3cccc(N4CCC(C)CC4)c3)c(C3CCCCC3)cn2)ccc1C1CCNCC1,PUWFKKACJNFPJV-UHFFFAOYSA-N
-rxn:5:196971:225988:226686,Cc1cnn(C2CCCCO2)c1-c1cc(-c2c(F)cc(C3OCCO3)cc2F)ncc1C1CCCCC1,RYPVPDUDDTTZSP-UHFFFAOYSA-N
-rxn:5:196977:225832:223135,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(N2CCCCC2)cc1-c1cccnc1C1CCCNC1,KRLSGKAPJMJZJH-UHFFFAOYSA-N
-rxn:5:196978:223134:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2cnccc2C2CCCNC2)ccc1N1CCCCC1,SCMCFCCKEDLIQR-UHFFFAOYSA-N
-rxn:5:197876:223342:226901,CC(C)(C)N1C(=O)c2cc(-c3cccc(S(F)(F)(F)(F)F)c3)c(-c3ccc4c(c3)OCCN4)cc2S1(=O)=O,ROVHZAVWMDYACB-UHFFFAOYSA-N
-rxn:5:197876:225407:228437,CC(C)(C)N1C(=O)c2cc(-c3ccc(C(F)F)cc3F)c(-c3ccc(C4CCCCCC4)cc3)cc2S1(=O)=O,KVTOWZXTLYFBFB-UHFFFAOYSA-N
-rxn:5:197876:225407:228798,CSc1cc(-c2cc3c(cc2-c2ccc(C4CCCCCC4)cc2)S(=O)(=O)N(C(C)(C)C)C3=O)ccc1F,PZKWIGOJXZJCNW-UHFFFAOYSA-N
-rxn:5:197876:225591:227052,CC(C)(C)Sc1ccc(-c2cc3c(cc2-c2cc(CN4CCCC4)ccc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1,YDBXMHUSGSVRNY-UHFFFAOYSA-N
-rxn:5:197876:225601:227944,CC(C)(C)c1cncc(-c2cc3c(cc2-c2ccc(C4(C#N)CCC4)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,AFAPMMOGIKPHBQ-UHFFFAOYSA-N
-rxn:5:197876:225834:227048,CC(C)C(=O)c1ccc(-c2cc3c(cc2-c2cc(N4CCCCC4)ncc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1,DJRGGOJWLQXUFK-UHFFFAOYSA-N
-rxn:5:197876:226174:226916,CC(C)(C)N1C(=O)c2cc(-c3cccc(C4=CCCC4)c3)c(-c3ccc(C4CCCCC4)nc3)cc2S1(=O)=O,DIWPLGQEGKAMLN-UHFFFAOYSA-N
-rxn:5:197876:226449:228117,CC(C)Oc1cncc(-c2cc3c(cc2-c2ccccc2C2(C)OCCO2)S(=O)(=O)N(C(C)(C)C)C3=O)c1,YYVPDYSROPGEQB-UHFFFAOYSA-N
-rxn:5:197876:226589:225407,CC(C)c1cnc(C(F)F)cc1-c1cc2c(cc1-c1ccc(C3CCCCCC3)cc1)C(=O)N(C(C)(C)C)S2(=O)=O,SPVOYRIAVZVOAU-UHFFFAOYSA-N
-rxn:5:197876:226711:225499,CC(C)(C)N1C(=O)c2cc(-c3ccc(C4CCCCC4)cc3F)c(-c3ccc4cnn(C(F)F)c4c3)cc2S1(=O)=O,AMMHLHRBNWJTRR-UHFFFAOYSA-N
-rxn:5:197876:226762:228016,CSc1cc(-c2cc3c(cc2-c2cc(C4CCCC4)cs2)C(=O)N(C(C)(C)C)S3(=O)=O)cc(C(F)(F)F)c1,ACLVPHSDXMBHRV-UHFFFAOYSA-N
-rxn:5:197876:226917:227045,Cc1cc(-c2cc3c(cc2-c2cccc(SC(C)(C)C)c2)C(=O)N(C(C)(C)C)S3(=O)=O)cc(C(C)(C)C)c1,CYIVCEZDKNARND-UHFFFAOYSA-N
-rxn:5:197876:227052:225450,CC(C)(C)Sc1ccc(-c2cc3c(cc2-c2ccc(C(=O)C4CCCC4)cc2)C(=O)N(C(C)(C)C)S3(=O)=O)cc1,OSEAFJHDMACHBU-UHFFFAOYSA-N
-rxn:5:197876:227052:227076,CCC(C)c1ccc(F)c(-c2cc3c(cc2-c2ccc(SC(C)(C)C)cc2)S(=O)(=O)N(C(C)(C)C)C3=O)c1,GRGIOEVLJCFFMA-UHFFFAOYSA-N
-rxn:5:197876:227076:226973,CCC(C)c1ccc(F)c(-c2cc3c(cc2-c2ccc4c(c2)C(C)(C)CO4)C(=O)N(C(C)(C)C)S3(=O)=O)c1,WCEAOYDBPIFEOC-UHFFFAOYSA-N
-rxn:5:197876:227079:223203,CC(C)Cc1ccc(F)c(-c2cc3c(cc2-c2cccc(C4(O)CCC4)c2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,VPEDMNBNZWIOQA-UHFFFAOYSA-N
-rxn:5:197876:227119:227815,CCC(C)c1ccccc1-c1cc2c(cc1-c1cc(C3CCCCC3)cs1)S(=O)(=O)N(C(C)(C)C)C2=O,YMYVATVFOOPWQS-UHFFFAOYSA-N
-rxn:5:197876:227808:226069,CC(C)(C)N1C(=O)c2cc(-c3cccc(C4CCCCC4)c3)c(-c3ccc4c(c3)CCCC4)cc2S1(=O)=O,LWNJKHAMOGNMPC-UHFFFAOYSA-N
-rxn:5:197876:227944:225811,CC(C)(C)c1cncc(-c2cc3c(cc2-c2ccc(C4(C(F)(F)F)CC4)cc2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,LENCKTJFJJKQEE-UHFFFAOYSA-N
-rxn:5:197876:228247:226181,CC(=O)c1ccc(F)c(-c2cc3c(cc2-c2ccc(C4=CCCCC4)nc2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,FPPFWMKDTLJNKV-UHFFFAOYSA-N
-rxn:5:197876:228415:226179,CC(C)(C)N1C(=O)c2cc(-c3cncc(C4CCCCC4)c3)c(-c3cc(F)ccc3C(F)F)cc2S1(=O)=O,ZSWULSSGQCZYJD-UHFFFAOYSA-N
-rxn:5:197876:228430:225811,CSc1cc(F)c(-c2cc3c(cc2-c2ccc(C4(C(F)(F)F)CC4)cc2)C(=O)N(C(C)(C)C)S3(=O)=O)c(F)c1,MQEJQOBPMRCRHO-UHFFFAOYSA-N
-rxn:5:197876:228515:225453,CCc1cccc(C)c1-c1cc2c(cc1-c1cccc(SC3CCCCC3)c1)C(=O)N(C(C)(C)C)S2(=O)=O,KYAFMBBYWZAIII-UHFFFAOYSA-N
-rxn:5:197876:228802:225639,CC1CCN(c2ncccc2-c2cc3c(cc2-c2ccccc2C(F)F)S(=O)(=O)N(C(C)(C)C)C3=O)CC1,NYWQXIOQXCMGIZ-UHFFFAOYSA-N
-rxn:5:227898:178295:223287,CNS(=O)(=O)c1ccc(-c2ccc(-c3cncc(CC(C)C)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc1,RBNUUIKJBNVKFO-UHFFFAOYSA-N
-rxn:5:227942:178295:226920,CCc1ccc(-c2ccc(-c3cc(C(C)(C)C)ccc3C)cc2C2(C(=O)OC)CCC(=O)CC2)c(OC)c1,USWZNVWPAGTRID-UHFFFAOYSA-N
-rxn:5:227942:178295:227569,CCc1ccc(-c2ccc(-c3c(OC)ccc(F)c3OC)cc2C2(C(=O)OC)CCC(=O)CC2)c(OC)c1,GYHBXMRQOBVTNI-UHFFFAOYSA-N
-rxn:5:227989:178295:226190,CC#Cc1ccc(F)c(-c2ccc(-c3ccc(C4CCCC4)cc3F)cc2C2(C(=O)OC)CCC(=O)CC2)c1,UZYVHHKUKPMCKY-UHFFFAOYSA-N
-rxn:5:227995:178295:226974,COC(=O)C1(c2cc(-c3ccc4c(c3)COC4(C)C)ccc2-c2cc(C)cc(C)c2OC)CCC(=O)CC1,YXXINRWPMRGARC-UHFFFAOYSA-N
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-rxn:4:173304:224008,CCOC(=O)C(=O)CC(=O)c1ccccc1-c1cc(C(=O)N2CCOCC2)cc([N+](=O)[O-])c1,HFNROCWAJUETED-UHFFFAOYSA-N
-rxn:4:173305:222718,COC(=O)COc1ccc(-c2cc(S(=O)(=O)N3CCNCC3)ccc2C)cc1C(=O)OC,PLRKSFXYPBZWGY-UHFFFAOYSA-N
-rxn:4:173332:223946,CCCCOc1cc(OC(F)(F)F)cc(-c2ccc(N(CC)C(=O)OC(C)(C)C)cc2Cl)c1,OCGJZDIXNAZODI-UHFFFAOYSA-N
-rxn:4:173454:224721,Cc1nn(CC(=O)OC(C)(C)C)c(C)c1-c1cccc(CC(=O)CC(=O)OC(C)(C)C)c1,BIUFTLWVNLPUNI-UHFFFAOYSA-N
-rxn:4:173455:222699,CC(C)(C)OC(=O)CC(=O)Cc1ccccc1-c1ccc(C2CCCNC2)c(C(F)(F)F)c1,IAWHBZWIIXEGKM-UHFFFAOYSA-N
-rxn:4:173517:222923,Cc1ccc(-c2ccc(C(F)(F)F)cc2OC2(C(=O)OC(C)(C)C)CC2)cc1S(=O)(=O)NC1CC1,FHEAWAGZZAECKC-UHFFFAOYSA-N
-rxn:4:173517:223285,CC(C)(C)OC(=O)C1(Oc2cc(C(F)(F)F)ccc2-c2ccccc2NS(C)(=O)=O)CC1,ZKGWZQNUONRPEE-UHFFFAOYSA-N
-rxn:4:173517:225712,CCOC(=O)COc1ccc(-c2ccc(C(F)(F)F)cc2OC2(C(=O)OC(C)(C)C)CC2)cc1,GUBDUFNSDCXBPP-UHFFFAOYSA-N
-rxn:4:173545:226844,CC(C)(C)[Si](C)(C)OCc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1OC(F)(F)F,YORFHNXRUQNOES-UHFFFAOYSA-N
-rxn:4:173554:226844,CC(C)(C)OC(=O)c1ccc(C(=O)OC(C)(C)C)c(-c2ccnc(C(=O)C(F)(F)F)c2)c1,LQVKRIOSDFZMRL-UHFFFAOYSA-N
-rxn:4:173565:224490,COC(=O)c1ccc(-c2ccccc2OCCN2CCCCC2)c(COC(C)(C)[Si](C)(C)C)c1,YTYIPEAZGACUGX-UHFFFAOYSA-N
-rxn:4:173565:225350,COC(=O)c1ccc(-c2ccc(C(F)(F)F)cc2C(=O)OC)c(COC(C)(C)[Si](C)(C)C)c1,QIGMDKZBXPOFKY-UHFFFAOYSA-N
-rxn:4:173573:226844,CC1(C)COC(CCCCC(=O)c2ccccc2-c2ccnc(C(=O)C(F)(F)F)c2)OC1,WRIVSJRMPHLPSV-UHFFFAOYSA-N
-rxn:4:173576:223279,CC1(C)COC(CCCCC(=O)c2ccc(Cl)c(-c3cnc(C4CCCN4)nc3)c2)OC1,YQAAMZWRESNFNK-UHFFFAOYSA-N
-rxn:4:173576:226844,CC1(C)COC(CCCCC(=O)c2ccc(Cl)c(-c3ccnc(C(=O)C(F)(F)F)c3)c2)OC1,LVVYPIXWPIWHGU-UHFFFAOYSA-N
-rxn:4:173577:224720,COc1ccc(-c2cn(C(=O)OC(C)(C)C)nc2C2CC2)cc1COC(=O)c1ccc(C(C)(C)C)cc1,NPPUDZZZDORKGJ-UHFFFAOYSA-N
-rxn:4:173593:224998,CC(C)(C)c1cc(C(=O)OCc2ccc(-c3cccc(C(=O)N4CCCCC4)c3)cc2)cc(C(C)(C)C)c1,KMNFUGJNKXGMAN-UHFFFAOYSA-N
-rxn:4:173596:224594,COc1ccc(OC)c(-c2c(C(C)C)cc(C(C)C)cc2C(C)C)c1-c1ccccc1C1CCCCN1C(C)=O,UBWILGPRTDICCD-UHFFFAOYSA-N
-rxn:4:173596:224961,COc1ccc(OC)c(-c2c(C(C)C)cc(C(C)C)cc2C(C)C)c1-c1ccc(O[Si](C)(C)C(C)(C)C)cc1,IIWMCZKSZULVHY-UHFFFAOYSA-N
-rxn:4:173641:225875,Cc1oc2cc(-c3ccc(N4CCOCC4)cc3Cl)c(OC(=O)C(C)C)cc2c1C(=O)OC(C)C,UYHHXSIVHYNIBM-UHFFFAOYSA-N
-rxn:4:173656:223024,CCCNC(=O)c1cc(-c2ccc(C=C3Oc4cc(OC(C)C(=O)OCC)ccc4C3=O)cc2)ccc1F,QQJZXAXMFBNIAG-UHFFFAOYSA-N
-rxn:4:173685:223179,CONC(=O)c1cc(-c2cccc(C=C3Oc4cc(OCC(=O)OC(C)(C)C)ccc4C3=O)c2)ccc1F,IELLPTPNNJWVBQ-UHFFFAOYSA-N
-rxn:4:173685:226844,CC(C)(C)OC(=O)COc1ccc2c(c1)OC(=Cc1cccc(-c3ccnc(C(=O)C(F)(F)F)c3)c1)C2=O,VRRHTEIXOBTMSL-UHFFFAOYSA-N
-rxn:4:173688:226844,CC(C)(C)OC(=O)COc1ccc2c(c1)OC(=Cc1ccccc1-c1ccnc(C(=O)C(F)(F)F)c1)C2=O,UTKLNJJXEFBTEC-UHFFFAOYSA-N
-rxn:4:173723:224351,O=C(COS(=O)(=O)C(F)(F)F)c1ccc(-c2ccc(C3CCCCO3)c(C(F)(F)F)c2)cc1,PSZAUCRYDZWGDI-UHFFFAOYSA-N
-rxn:4:173723:224766,O=C(COS(=O)(=O)C(F)(F)F)c1ccc(-c2cc(N3CCCC3)cc(C(F)(F)F)c2)cc1,ITDAFMUZTSEKAF-UHFFFAOYSA-N
-rxn:4:173769:222546,COC(=O)c1ccc(-c2ccc(OCCNC3CCCCC3)c(F)c2)c(OCC(F)F)c1,ZCHNKKZVMDZXGU-UHFFFAOYSA-N
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-rxn:4:173910:223557,COC(=O)C(C(=O)OC)c1ccc(-c2c(F)ccc3c2ccn3[Si](C(C)C)(C(C)C)C(C)C)cc1,VMTSNUYWNCPVKC-UHFFFAOYSA-N
-rxn:4:173921:223568,COC(=O)C(C(=O)OC)c1cccc(-c2cnc3c(ccn3[Si](C(C)C)(C(C)C)C(C)C)c2Cl)c1,NDDQDVUDKQNBIU-UHFFFAOYSA-N
-rxn:4:174015:222707,CC(C)(C)OC(=O)NCc1nccc(-c2ccc(OCC(=O)C3CC3)c(C(F)(F)F)c2)c1F,WEUUXRPBUMRGBM-UHFFFAOYSA-N
-rxn:4:174070:223536,CC(C)COc1cc(OC(F)(F)F)ccc1-c1cc(F)c(F)c(N2CCN(C(=O)OC(C)(C)C)CC2)c1,IIMKMCQHLNDOTH-UHFFFAOYSA-N
-rxn:4:174237:223492,COC(=O)c1ccc(OCc2cccc(F)c2)c(-c2ccc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c(C)c2)c1,KIFISUGPDVJWOA-UHFFFAOYSA-N
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-rxn:4:174407:224952,COC(=O)C1(c2cccc(-c3cccc(CCN4CCOCC4)c3)c2)CC(OC)(OC)C1,GOPGDHCYIBJOGV-UHFFFAOYSA-N
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-rxn:4:174986:223559,COC(=O)Cc1ccc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)cc1OC,BVBSJGRELSGFMX-UHFFFAOYSA-N
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-rxn:4:175086:223922,Cc1ccc(-c2ccc(Cl)c(C(=O)N(C)C3CCCCC3)c2)cc1OCC(F)(F)C(F)F,ZMKYPFLIRDXFFP-UHFFFAOYSA-N
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-rxn:4:175930:224312,CN1CCN(C(=O)c2cc(-c3ccc(C(=O)CSC4CCCCC4)cc3)ccc2F)CC1,DBKRIAUGOLHMAL-UHFFFAOYSA-N
-rxn:4:175988:224634,COc1ccc(-c2c(OCC3CCCCC3)cccc2C(F)F)cc1CN1CCOCC1,NULQQWCIFWUIAH-UHFFFAOYSA-N
-rxn:4:176050:224552,COc1cc(C2OCCCO2)c(-c2cc(F)cc(COC3CCCCC3)c2)c(OC)c1OC,HRMUCFMBXBLRKS-UHFFFAOYSA-N
-rxn:4:176057:223645,CCOC(=O)C1CCCN(C(=O)c2cccc(-c3ccc(C(=O)CCc4c(C)cccc4C)cc3F)c2)C1,XBZOWPUKMKMGOO-UHFFFAOYSA-N
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-rxn:4:176168:224607,CC(C)[Si](c1c(F)cc(-c2ccc(C(=O)OCC[Si](C)(C)C)cc2)cc1F)(C(C)C)C(C)C,JJLJRKXMUDNCJI-UHFFFAOYSA-N
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-rxn:4:176321:224484,CC(C)N(C(=O)c1ccccc1-c1cccc(C(=O)Oc2cc3c4c(oc3cc2C(C)(C)C)CCCC4)c1)C(C)C,MVKKGXDMYLVANJ-UHFFFAOYSA-N
-rxn:4:176322:223279,CCC1(CC)CC(C)(C)c2c1cc1c(c2-c2cnc(C3CCCN3)nc2)C(C)(C)CC1(CC)CC,JPOIGNUHHNTIBO-UHFFFAOYSA-N
-rxn:4:176322:227095,CCC1(CC)CC(C)(C)c2c1cc1c(c2-c2ccc(C3CC(=O)C3)cc2)C(C)(C)CC1(CC)CC,KIEAKMSSVCUCMV-UHFFFAOYSA-N
-rxn:4:176349:223539,COc1ccc(-c2ccccc2OC(=O)C(F)(F)F)cc1S(=O)(=O)N1CCC2(CC1)OCCO2,CHOURLDBOKOTOG-UHFFFAOYSA-N
-rxn:4:176436:223792,COC(=O)C1CCN(C(=O)c2ccc(-c3cc(F)cc(F)c3OCC(F)(F)F)cc2)CC1,DHZPQEMGMSDCHS-UHFFFAOYSA-N
-rxn:4:176899:223596,CCOc1ccc(C(F)(F)F)cc1-c1ccc(Cl)cc1N1CCN(C(=O)OC(C)(C)C)CC1,FCCNSSWESJFVCQ-UHFFFAOYSA-N
-rxn:4:176937:223679,CCN1CCN(S(=O)(=O)c2c(C)cc(-c3cc(OC(F)(F)F)ccc3S(C)(=O)=O)cc2C)CC1,YHHAVFWHCLPQQH-UHFFFAOYSA-N
-rxn:4:177307:223542,CC(C)OCc1c(F)cccc1-c1ccc(OC(F)(F)F)c(S(=O)(=O)N2CCN(C)CC2)c1,IGXUWRYGGGLVNN-UHFFFAOYSA-N
-rxn:4:177489:222602,COC(=O)C1OC1(C)c1ccc(F)c(-c2cc(CC(C)C)sc2S(=O)(=O)NC(C)(C)C)c1,QONHUJILSVDBKV-UHFFFAOYSA-N
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-rxn:4:178296:223569,COC(=O)C1(c2ccc(F)c(-c3cnc4c(ccn4[Si](C(C)C)(C(C)C)C(C)C)c3F)c2)CCC(=O)CC1,LRVPRYAIEROUAQ-UHFFFAOYSA-N
-rxn:4:178296:224061,CCCC1CCC(c2ccc(-c3cc(C4(C(=O)OC)CCC(=O)CC4)ccc3F)c(F)c2)CC1,PJVYDVCEKZWXJV-UHFFFAOYSA-N
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-rxn:4:178381:224719,CC(C)c1nn(C(=O)OC(C)(C)C)cc1-c1c(C(C)(C)C)cc(C(C)(C)C)cc1C(C)(C)C,PWEIINYSYFYMOB-UHFFFAOYSA-N
-rxn:4:178384:225832,Cc1nn(C2CCCCO2)c(C)c1-c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1,PYBNLRJNMMTPGD-UHFFFAOYSA-N
-rxn:4:178384:225980,Fc1cnc(N2CCOCC2)cc1-c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1,ZCZLTTGMIRXMNR-UHFFFAOYSA-N
-rxn:4:178384:226266,COC(=O)CCc1ccccc1-c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1,BNDJSIMSNRXETQ-UHFFFAOYSA-N
-rxn:4:178384:229180,Fc1cc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)cnc1F,GWJVDRPHRMEZLV-UHFFFAOYSA-N
-rxn:4:178428:223534,CC(C)(C)OC(=O)N1CCC(Oc2cc(-c3ccc4cc(OS(=O)(=O)C(F)(F)F)ccc4c3)c(F)cn2)CC1,UZCFYLNCQDYKOQ-UHFFFAOYSA-N
-rxn:4:178474:223847,CCCCCC1CCC(c2ccc(-c3oc(C(=O)OCC)c4c3CCCC4)cc2)CC1,JNIQKZJRWWOHQI-UHFFFAOYSA-N
-rxn:4:178497:222694,COc1ccc(-c2cccc(S(=O)(=O)NC3CCCCC3)c2)cc1S(=O)(=O)C12CC(C1)C2,LZALGOXKQUUXEW-UHFFFAOYSA-N
-rxn:4:178583:223841,Cc1cc(F)c(-c2ccc3cc(O[Si](C)(C)C(C)(C)C)ccc3c2)cc1S(=O)(=O)N1CCN(C)CC1,LORQSPZDDBAAQP-UHFFFAOYSA-N
-rxn:4:178594:225613,Fc1cc(OCC23CC4CC(CC(C4)C2)C3)c(Cl)cc1-c1ccnc(OC2CCCCC2)c1,GQSHAMCIWDZGBO-UHFFFAOYSA-N
-rxn:4:178597:223732,Cc1ccc(C(C)C)c(OCc2ccccc2-c2ccc(OC(=O)C3OC4OC(C)(C)OC4C4OC(C)(C)OC34)cc2)c1,XCKIQNZMTKATOR-UHFFFAOYSA-N
-rxn:4:178597:224960,COc1ccc(-c2ccc(OC(=O)C3OC4OC(C)(C)OC4C4OC(C)(C)OC34)cc2)cc1OC1CCCC1,ILAIGHOLIIYVHP-UHFFFAOYSA-N
-rxn:4:178597:225405,Cc1cc(-c2ccccc2)ccc1-c1ccc(OC(=O)C2OC3OC(C)(C)OC3C3OC(C)(C)OC23)cc1,NTCCESMBGCJKHO-UHFFFAOYSA-N
-rxn:4:178597:226219,Cc1ccc2ccc(-c3ccc(OC(=O)C4OC5OC(C)(C)OC5C5OC(C)(C)OC45)cc3)c(F)c2n1,JZQQCGMDHMMQGN-UHFFFAOYSA-N
-rxn:4:178597:226844,CC1(C)OC2OC(C(=O)Oc3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3)C3OC(C)(C)OC3C2O1,PHYGVNYHOLSBLY-UHFFFAOYSA-N
-rxn:4:178901:223502,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3ccc(CF)cc3C(F)(F)F)cc2F)CC1,BCNRQAXHXYOKMJ-UHFFFAOYSA-N
-rxn:4:179141:223493,CC(=O)Cc1cccc(-c2cc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)ccc2C)c1,IFBKHSFXJFPANL-UHFFFAOYSA-N
-rxn:4:179317:223590,CC(=O)c1ccc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2C)c(Cl)c1C(F)(F)F,PFUKTZPQTGEWRQ-UHFFFAOYSA-N
-rxn:4:180452:222999,CC1(C)OC(=O)C(Cc2cc(F)cc(-c3cc(Cl)cc(C4CCCNC4)c3)c2F)C(=O)O1,YPCROIMZGQUNJI-UHFFFAOYSA-N
-rxn:4:180493:223557,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc(C4CCCCO4)c(C4CC4)c3)c(F)ccc21,BBPIYZFXLISQMW-UHFFFAOYSA-N
-rxn:4:180961:223507,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccccc2-c2cccc(F)c2C(F)F)CC1,XLJSICMHCYYMRI-UHFFFAOYSA-N
-rxn:4:182347:224306,CC1(C)CC(=O)c2c(S(C)(=O)=O)sc(-c3ccc(C(F)(F)F)cc3OC3CCCC3)c2C1,NZXYOJLDQLSGCG-UHFFFAOYSA-N
-rxn:4:182376:224934,CO[C@H]1[C@H](C)C[C@@]2(Cc3ccc(-c4cccc(OCCN5CCCC5)c4)cc3C2=O)C[C@@H]1C,KZPBZKIFFNMWSU-RSQCUOPESA-N
-rxn:4:182376:225389,CCC(C)c1cc(-c2ccc3c(c2)C(=O)[C@@]2(C3)C[C@@H](C)[C@H](OC)[C@@H](C)C2)cc(C2CC2)c1,MXDGYOSFNNIUKZ-QJFFKHSZSA-N
-rxn:4:183096:223489,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3ccc4c(c3)C(Cl)CCC4)cc2)CC1,BUGVMQPJIMDPSV-UHFFFAOYSA-N
-rxn:4:183123:223596,Cc1ccc(-c2ccc(Cl)cc2N2CCN(C(=O)OC(C)(C)C)CC2)c2c1OCCC2=O,VLDWYCNLNRLYAR-UHFFFAOYSA-N
-rxn:4:183261:224306,O=C1CCC2(CC1)Cc1ccc(-c3ccc(C(F)(F)F)cc3OC3CCCC3)cc1C2=O,FYEGZZXUTVSUCA-UHFFFAOYSA-N
-rxn:4:183264:223972,CC1CCCCN1c1ccc(-c2ccc3c(c2)CCC32CCC(=O)CC2)c(C(F)(F)F)c1,VGKZYFIZQYYPSS-UHFFFAOYSA-N
-rxn:4:183272:223289,CNS(=O)(=O)c1ccccc1-c1ccc2c(c1)OCCOCCOCCOCCOCCO2,XUANUONPBHYXKX-UHFFFAOYSA-N
-rxn:4:183273:225076,COC(=O)c1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c2cccnc12,LBSYQJICSUSRKY-UHFFFAOYSA-N
-rxn:4:183274:223179,CONC(=O)c1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCOCCO3)ccc1F,XHACTJUTOONZNM-UHFFFAOYSA-N
-rxn:4:183274:223320,Cc1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCOCCO3)c2cn[nH]c2c1,MOJZSPVSRJDAEU-UHFFFAOYSA-N
-rxn:4:183274:225076,COC(=O)c1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCOCCO3)c2cccnc12,GGSOTHTWMQRZET-UHFFFAOYSA-N
-rxn:4:183274:226844,O=C(c1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCOCCO3)ccn1)C(F)(F)F,HZSGHUSIRWEWDL-UHFFFAOYSA-N
-rxn:4:183484:223570,COC(=O)C(C(=O)OC)c1cc(-c2c(F)ncc3c2ccn3[Si](C(C)C)(C(C)C)C(C)C)ccc1C#N,CWWAKDWENALKQN-UHFFFAOYSA-N
-rxn:4:183521:224819,CCOC(=O)Cc1cc(C#N)cc(C(F)(F)F)c1-c1ccc(S(=O)(=O)N2CCOCC2)cc1,FPILYDONDMIJPM-UHFFFAOYSA-N
-rxn:4:183645:224321,CC1CCN(S(=O)(=O)c2cccc(-c3ccc(C(=O)ON4C(=O)CCC4=O)c(OCC(F)F)c3)c2)CC1,FLVGRNWYZPMRGR-UHFFFAOYSA-N
-rxn:4:183645:226844,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1OCC(F)F,MQDJXXZGEVRMPF-UHFFFAOYSA-N
-rxn:4:183668:223557,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc(C(=O)C(C#N)C(=O)OC(C)(C)C)cc3)c(F)ccc21,WCSBIEWUBQRSNJ-UHFFFAOYSA-N
-rxn:4:183668:224571,CC(C)N1CCN(c2ccc(-c3ccc(C(=O)C(C#N)C(=O)OC(C)(C)C)cc3)cc2)CC1,OMDGSKBIBOFEDR-UHFFFAOYSA-N
-rxn:4:183693:226844,COC(=O)C1CN(Cc2cc(-c3ccnc(C(=O)C(F)(F)F)c3)ccc2OC(F)(F)F)C1,ZTSHLQFWZQFIHN-UHFFFAOYSA-N
-rxn:4:183694:223179,CONC(=O)c1cc(-c2cc(CN3CC(C(=O)OC)C3)cc(OC(F)(F)F)c2)ccc1F,STNAWYXWACNXGQ-UHFFFAOYSA-N
-rxn:4:183724:222856,COc1ccc(C2CCNCC2)cc1-c1cc(OC(F)(F)F)ccc1OCCN1CCCC1,ZDZYHBUHUUMPHR-UHFFFAOYSA-N
-rxn:4:183726:226844,CCCOc1cc(-c2ccnc(C(=O)C(F)(F)F)c2)ccc1C(=O)ON1C(=O)CCC1=O,QMAGYXWGYPBBQB-UHFFFAOYSA-N
-rxn:4:183732:226844,O=C(c1cc(-c2cc(OC(F)(F)F)ccc2OCCN2CCC(F)(F)C2)ccn1)C(F)(F)F,UVKGLQBNKYUPNY-UHFFFAOYSA-N
-rxn:4:183750:226844,O=C(c1cc(-c2cc(OC(F)(F)F)ccc2OCCN2CCOCC2)ccn1)C(F)(F)F,FCOCSZHJSKAULU-UHFFFAOYSA-N
-rxn:4:183751:226844,CCCOC(=O)CN1C(=O)C(=Cc2cccc(-c3ccnc(C(=O)C(F)(F)F)c3)c2)SC1=S,NZWKWNZYVQXQKE-UHFFFAOYSA-N
-rxn:4:183752:226126,CCOC(=O)CCN1C(=O)C(=Cc2cccc(-c3ccc(C4CC4)c(COC)c3)c2)SC1=S,KCFGPSKVLXPUCM-UHFFFAOYSA-N
-rxn:4:183765:225869,COC(=O)CSC1CCN(S(=O)(=O)c2ccccc2-c2ccc(N3CCOCC3)c(Cl)c2)C1,NHAOOHLGNWEDJX-UHFFFAOYSA-N
-rxn:4:183770:223279,O=C(COc1cc(OC(F)(F)F)ccc1-c1cnc(C2CCCN2)nc1)N1CCCCC1,KBWDHGGLNIUFHZ-UHFFFAOYSA-N
-rxn:4:183783:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2ccc(N(C)CCC(=O)OC(C)(C)C)cc2)cc1,ONDSLYQTMBCNJS-UHFFFAOYSA-N
-rxn:4:183784:223580,CCN(CC)C(=O)COc1cc(C)c(-c2cc3cc(C(=O)OC)ccc3n2C(=O)OC(C)(C)C)c(C)c1,FWRIVBPAPAWHNQ-UHFFFAOYSA-N
-rxn:4:183833:223179,C#Cc1ccc(-c2ccc(F)c(C(=O)NOC)c2)cc1OC1CN(C(=O)OC(C)(C)C)C1,KGLLIEYIEVHWIC-UHFFFAOYSA-N
-rxn:4:183834:223179,CONC(=O)c1cc(-c2ccccc2S(=O)(=O)N(C(=O)OC(C)(C)C)C2CC2)ccc1F,AZSDUBHKBHQJIS-UHFFFAOYSA-N
-rxn:4:183834:226093,CC(C)CCSc1ccc(-c2ccccc2S(=O)(=O)N(C(=O)OC(C)(C)C)C2CC2)cc1,PMWZHOHZVKVURT-UHFFFAOYSA-N
-rxn:4:183864:225754,COC(=O)CN1CCCC(COc2cccc(-c3cc(C(=O)OC)ncc3C3CC3)c2)C1,NYSBEXRFDGVCFN-UHFFFAOYSA-N
-rxn:4:183874:223179,CONC(=O)c1cc(-c2cc(F)ccc2CN(C(=O)OC(C)(C)C)C2COC2)ccc1F,UABWYLLVIQCHCM-UHFFFAOYSA-N
-rxn:4:183874:226844,CC(C)(C)OC(=O)N(Cc1ccc(F)cc1-c1ccnc(C(=O)C(F)(F)F)c1)C1COC1,WWCTVCGKDARHGQ-UHFFFAOYSA-N
-rxn:4:183876:223179,CONC(=O)c1cc(-c2cc(Cl)ccc2OCC2CN(C(=O)OC(C)(C)C)C2)ccc1F,YOCXONUVUAWNCL-UHFFFAOYSA-N
-rxn:4:183876:226844,CC(C)(C)OC(=O)N1CC(COc2ccc(Cl)cc2-c2ccnc(C(=O)C(F)(F)F)c2)C1,XOSHPFJRIKEGOV-UHFFFAOYSA-N
-rxn:4:183877:223179,CONC(=O)c1cc(-c2c(Cl)cccc2OCC2CN(C(=O)OC(C)(C)C)C2)ccc1F,UZURFHOVGDWYPC-UHFFFAOYSA-N
-rxn:4:183880:223179,CONC(=O)c1cc(-c2ccc(OCC3CN(C(=O)OC(C)(C)C)C3)c(F)c2)ccc1F,FOPXBYMUOLHOON-UHFFFAOYSA-N
-rxn:4:183882:223179,CONC(=O)c1cc(-c2cc(OCC3CN(C(=O)OC(C)(C)C)C3)ccc2F)ccc1F,HCEWGGWLQGFZCZ-UHFFFAOYSA-N
-rxn:4:183882:226844,CC(C)(C)OC(=O)N1CC(COc2ccc(F)c(-c3ccnc(C(=O)C(F)(F)F)c3)c2)C1,KOZZCTQQQOWXSG-UHFFFAOYSA-N
-rxn:4:183884:223179,CONC(=O)c1cc(-c2cccc(F)c2OCC2CN(C(=O)OC(C)(C)C)C2)ccc1F,IMWNVDRMAKDCPN-UHFFFAOYSA-N
-rxn:4:183885:223179,CONC(=O)c1cc(-c2ccccc2OCCCN2CCCC(C(F)(F)F)C2)ccc1F,WYOVURXCGZYUEV-UHFFFAOYSA-N
-rxn:4:183886:223179,CONC(=O)c1cc(-c2ccccc2OCCCN2CCC(C(F)(F)F)CC2)ccc1F,NCRAWJMXWCAHCD-UHFFFAOYSA-N
-rxn:4:183886:224714,CCCCOc1ccc(-c2ccccc2OCCCN2CCC(C(F)(F)F)CC2)cc1C(F)(F)F,UOCOHLGMIHJGIN-UHFFFAOYSA-N
-rxn:4:183886:226844,O=C(c1cc(-c2ccccc2OCCCN2CCC(C(F)(F)F)CC2)ccn1)C(F)(F)F,YHNIMENHYQSSCR-UHFFFAOYSA-N
-rxn:4:183893:223279,Fc1cccc(-c2cnc(C3CCCN3)nc2)c1OCCCN1CCCC(C(F)(F)F)C1,NGLYQEDUICQYNG-UHFFFAOYSA-N
-rxn:4:183903:226844,CC(C)(C)OC(=O)Oc1cc(-c2ccnc(C(=O)C(F)(F)F)c2)cnc1C#C[Si](C)(C)C,KSVZALCAXQMMMS-UHFFFAOYSA-N
-rxn:4:183908:223179,CCCCN(C(=O)c1cccc(-c2ccc(F)c(C(=O)NOC)c2)c1)C1CCS(=O)(=O)C1,PGMHXXORMMIPNP-UHFFFAOYSA-N
-rxn:4:183909:223179,CONC(=O)c1cc(-c2cc(OC3CN(C(=O)OC(C)(C)C)C3)ccc2OC)ccc1F,YIIPGDLVRMGPHW-UHFFFAOYSA-N
-rxn:4:183909:226844,COc1ccc(OC2CN(C(=O)OC(C)(C)C)C2)cc1-c1ccnc(C(=O)C(F)(F)F)c1,LWENLWGPNKOQIQ-UHFFFAOYSA-N
-rxn:4:183910:226844,COC(=O)c1cc(OCCN2CCOC(C)C2)cc(-c2ccnc(C(=O)C(F)(F)F)c2)c1,PJQIXOHUCZMCNF-UHFFFAOYSA-N
-rxn:4:183912:223279,CC1CCN(CCOc2cc(OC(F)(F)F)ccc2-c2cnc(C3CCCN3)nc2)CC1,WOPDBYOQGVVFGE-UHFFFAOYSA-N
-rxn:4:183913:223279,CC1CCCCN1CCOc1ccc(OC(F)(F)F)cc1-c1cnc(C2CCCN2)nc1,NCYNTCHPPCGSPY-UHFFFAOYSA-N
-rxn:4:183914:223279,CC1CCCN(CCOc2ccc(OC(F)(F)F)cc2-c2cnc(C3CCCN3)nc2)C1,CAGUHWGLGQTUOT-UHFFFAOYSA-N
-rxn:4:183915:223279,CC1CCN(CCOc2ccc(OC(F)(F)F)cc2-c2cnc(C3CCCN3)nc2)CC1,ODRCUPJUSUIVDA-UHFFFAOYSA-N
-rxn:4:183928:223075,CC(c1ccc(-c2ccc(NS(=O)(=O)C3CC3)cc2)cc1)N(C(=O)OC(C)(C)C)C1CC1,XCVRYRWDRPVXKH-UHFFFAOYSA-N
-rxn:4:183928:224936,CC(c1ccc(-c2ccc(CC(=O)OC(C)(C)C)cc2)cc1)N(C(=O)OC(C)(C)C)C1CC1,JSOBWYMZYHQBPV-UHFFFAOYSA-N
-rxn:4:183936:223179,CONC(=O)c1cc(-c2cc(Cl)cc(CN(C(=O)OC(C)(C)C)C3CCC3)c2)ccc1F,UBJLZRGFWXDGPS-UHFFFAOYSA-N
-rxn:4:183937:223179,CONC(=O)c1cc(-c2cc(F)ccc2CN(C(=O)OC(C)(C)C)C2CCC2)ccc1F,MANPVFMWSKLUOH-UHFFFAOYSA-N
-rxn:4:183948:222735,N#Cc1ccc(Oc2ccc(-c3cccc(C(=O)NC4CCCCC4)c3)c(COC3CCCCO3)c2)cc1,ZNIVQSNVXYBQHK-UHFFFAOYSA-N
-rxn:4:183957:223179,CONC(=O)c1cc(-c2cccc(OCC3CCN(C(=O)OC(C)(C)C)C3)c2)ccc1F,RQWQELDVULWDQF-UHFFFAOYSA-N
-rxn:4:183957:226844,CC(C)(C)OC(=O)N1CCC(COc2cccc(-c3ccnc(C(=O)C(F)(F)F)c3)c2)C1,POBPKIGZVHLTDT-UHFFFAOYSA-N
-rxn:4:183959:223179,CONC(=O)c1cc(-c2ccc(OCC3CN(C(=O)OC(C)(C)C)C3)c(C)c2)ccc1F,MBWYRPYZGXYTGR-UHFFFAOYSA-N
-rxn:4:183960:226844,Cc1cc(OCC2CN(C(=O)OC(C)(C)C)C2)ccc1-c1ccnc(C(=O)C(F)(F)F)c1,YMVVZTNPZISEES-UHFFFAOYSA-N
-rxn:4:183961:223179,CONC(=O)c1cc(-c2ccc(OC[C@@H]3CCCN3C(=O)OC(C)(C)C)cc2)ccc1F,FIEGRAUDDNJBEO-SFHVURJKSA-N
-rxn:4:183963:226844,Cc1cccc(OCC2CN(C(=O)OC(C)(C)C)C2)c1-c1ccnc(C(=O)C(F)(F)F)c1,ULMSVZXAFZAOMW-UHFFFAOYSA-N
-rxn:4:183964:223179,CONC(=O)c1cc(-c2cc(OCCN3CCC(C)CC3)cc(C(=O)OC)c2)ccc1F,NTYDHHOGSDPQCL-UHFFFAOYSA-N
-rxn:4:183964:226844,COC(=O)c1cc(OCCN2CCC(C)CC2)cc(-c2ccnc(C(=O)C(F)(F)F)c2)c1,QDIHVCNXDPCDCU-UHFFFAOYSA-N
-rxn:4:183966:223179,CONC(=O)c1cc(-c2cc(Cl)cc(OCC3CCN(C(=O)OC(C)(C)C)C3)c2)ccc1F,AAELSFSWFCULPF-UHFFFAOYSA-N
-rxn:4:183968:226844,CC(C)(C)OC(=O)N1CCC(COc2cc(F)cc(-c3ccnc(C(=O)C(F)(F)F)c3)c2)C1,YUPNLGXBURHEKU-UHFFFAOYSA-N
-rxn:4:183969:222890,CCOC(=O)C1CCN(S(=O)(=O)c2ccc(-c3cc(OC)nc(C4CCCNC4)c3)c(OC)c2)CC1,GYGHMPLUWGWHIF-UHFFFAOYSA-N
-rxn:4:183969:223179,CCOC(=O)C1CCN(S(=O)(=O)c2ccc(-c3ccc(F)c(C(=O)NOC)c3)c(OC)c2)CC1,KSQHFJYSCINGGC-UHFFFAOYSA-N
-rxn:4:183983:225451,Cc1ccc(-c2ccc(SC3CCCCC3)cc2)cc1CN(C(=O)OC(C)(C)C)C(C)C,SUQSTDWNWCBTBN-UHFFFAOYSA-N
-rxn:4:183984:222396,Cc1cc(-c2ccc(C(=O)NC3CCC(O)CC3)cc2)ccc1CN(C(=O)OC(C)(C)C)C(C)C,ACCMWBUUJYLGBK-UHFFFAOYSA-N
-rxn:4:183985:223572,CC1CCN(S(=O)(=O)c2ccc(-c3ccc(O[Si](C(C)C)(C(C)C)C(C)C)cc3C#N)c3ccccc23)CC1,AQUKLWZKBQKPPG-UHFFFAOYSA-N
-rxn:4:183994:226844,CC(C)(C)OC(=O)N(Cc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1)C1CCCC1,ARPSIGSLLWKJFQ-UHFFFAOYSA-N
-rxn:4:183996:223279,CC(C)(C)OC(=O)N(Cc1cc(-c2cnc(C3CCCN3)nc2)ccc1Cl)C1CCCC1,DHDJBHJOCBUUSJ-UHFFFAOYSA-N
-rxn:4:183997:226844,CC(C)(C)OC(=O)N(Cc1cccc(Cl)c1-c1ccnc(C(=O)C(F)(F)F)c1)C1CCCC1,QBPUYNJHMJBJJA-UHFFFAOYSA-N
-rxn:4:183999:223279,CC(C)(C)OC(=O)N(Cc1ccc(-c2cnc(C3CCCN3)nc2)c(F)c1)C1CCCC1,QLACWUWFACOZKH-UHFFFAOYSA-N
-rxn:4:183999:226844,CC(C)(C)OC(=O)N(Cc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)c(F)c1)C1CCCC1,YELOIEVFCTUWOO-UHFFFAOYSA-N
-rxn:4:184003:225805,CC(c1ccc(-c2ccc(CC(=O)N3CCC(S(=O)(=O)Cc4ccco4)CC3)cc2)s1)N1CCOCC1,TVYMBKGSLAUHBO-UHFFFAOYSA-N
-rxn:4:184004:226844,COc1ccc(CCN2C(=O)C(=Cc3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3)SC2=S)cc1OC,KKZLBLRIEXVUEN-UHFFFAOYSA-N
-rxn:4:184005:223179,CONC(=O)c1cc(-c2ccc(C(=O)N(c3ccc(OC)cc3OC)C3C=CS(=O)(=O)C3)cc2)ccc1F,QRNYDJVCORMBFW-UHFFFAOYSA-N
-rxn:4:184005:226844,COc1ccc(N(C(=O)c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2)C2C=CS(=O)(=O)C2)c(OC)c1,XUIQZYFXSOEAQC-UHFFFAOYSA-N
-rxn:4:184006:223158,CCNC(=O)c1ccc(-c2ccc(N(C(=O)c3ccc(OC)c(OC)c3)C3C=CS(=O)(=O)C3)cc2)cc1F,IOZUSWUFKFGAFW-UHFFFAOYSA-N
-rxn:4:184011:223179,CCOc1cc(S(=O)(=O)N(CC)C2CCCCC2)ccc1-c1ccc(F)c(C(=O)NOC)c1,TWZDLJPDOVGIHH-UHFFFAOYSA-N
-rxn:4:184011:223279,CCOc1cc(S(=O)(=O)N(CC)C2CCCCC2)ccc1-c1cnc(C2CCCN2)nc1,WYCOTDVEMJITHI-UHFFFAOYSA-N
-rxn:4:184012:223179,CCCOc1cc(S(=O)(=O)N(C)C2CCCCC2)ccc1-c1ccc(F)c(C(=O)NOC)c1,DWUNTBXNODYEFB-UHFFFAOYSA-N
-rxn:4:184013:223179,CONC(=O)c1cc(-c2ccc(COC3CCN(C(=O)OC(C)(C)C)CC3)cc2)ccc1F,HVIQWWONUGRWGK-UHFFFAOYSA-N
-rxn:4:184014:223279,CC(C)(C)OC(=O)N1CCC(COc2cccc(-c3cnc(C4CCCN4)nc3)c2)CC1,AUVANEISIHHROU-UHFFFAOYSA-N
-rxn:4:184014:226844,CC(C)(C)OC(=O)N1CCC(COc2cccc(-c3ccnc(C(=O)C(F)(F)F)c3)c2)CC1,GTKCPCAUGUJKLQ-UHFFFAOYSA-N
-rxn:4:184015:226844,CC(C)(C)OC(=O)N1CCC(OCc2cccc(-c3ccnc(C(=O)C(F)(F)F)c3)c2)CC1,MKGDMRORXUVPDL-UHFFFAOYSA-N
-rxn:4:184016:223279,CC(C)(C)OC(=O)N1CCC(OCc2ccccc2-c2cnc(C3CCCN3)nc2)CC1,MXOUEZYVBBBPRT-UHFFFAOYSA-N
-rxn:4:184017:223179,CONC(=O)c1cc(-c2ccc(OCC3CCN(C(=O)OC(C)(C)C)CC3)cc2)ccc1F,IUEBYVVKMWBHJY-UHFFFAOYSA-N
-rxn:4:184018:222630,CC(C)(C)OC(=O)N1CCC(COc2ccccc2-c2cc(C3CCC3)nc(C3CCNCC3)c2)CC1,WTBHESRGVOUYBL-UHFFFAOYSA-N
-rxn:4:184018:226844,CC(C)(C)OC(=O)N1CCC(COc2ccccc2-c2ccnc(C(=O)C(F)(F)F)c2)CC1,JGIMWUVLMHAIFL-UHFFFAOYSA-N
-rxn:4:184019:226844,Cc1cc(OCC2CN(C(=O)OC(C)(C)C)C2)cc(C)c1-c1ccnc(C(=O)C(F)(F)F)c1,CBMPNUWFVRIAKZ-UHFFFAOYSA-N
-rxn:4:184021:226844,CC(C)(C)OC(=O)N(Cc1cccc(Cl)c1-c1ccnc(C(=O)C(F)(F)F)c1)C1CCOCC1,PWXMMNWLBHBOKT-UHFFFAOYSA-N
-rxn:4:184022:223179,CONC(=O)c1cc(-c2ccc(Cl)cc2OCC2CCN(C(=O)OC(C)(C)C)CC2)ccc1F,CSXVPDLGCALURX-UHFFFAOYSA-N
-rxn:4:184023:223179,CONC(=O)c1cc(-c2cc(Cl)cc(OCC3CCN(C(=O)OC(C)(C)C)CC3)c2)ccc1F,HDZUAFGQJIUUIG-UHFFFAOYSA-N
-rxn:4:184023:223279,CC(C)(C)OC(=O)N1CCC(COc2cc(Cl)cc(-c3cnc(C4CCCN4)nc3)c2)CC1,XQEQFGAJNJLOFD-UHFFFAOYSA-N
-rxn:4:184024:223179,CONC(=O)c1cc(-c2cc(Cl)cc(OCC3CCCN(C(=O)OC(C)(C)C)C3)c2)ccc1F,MFCWTWBOUZJJMR-UHFFFAOYSA-N
-rxn:4:184024:226844,CC(C)(C)OC(=O)N1CCCC(COc2cc(Cl)cc(-c3ccnc(C(=O)C(F)(F)F)c3)c2)C1,REQMESXBCRGMQB-UHFFFAOYSA-N
-rxn:4:184026:226844,CC(C)(C)OC(=O)N1CCCC(COc2cc(-c3ccnc(C(=O)C(F)(F)F)c3)ccc2Cl)C1,PMRWVSVKWDVKHR-UHFFFAOYSA-N
-rxn:4:184027:226844,CC(C)(C)OC(=O)N1CCC(COc2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2F)CC1,MVQJYIMHDHCXTN-UHFFFAOYSA-N
-rxn:4:184031:223279,CC(C)(C)OC(=O)N1CCCC(COc2cc(F)cc(-c3cnc(C4CCCN4)nc3)c2)C1,GDGYQQVMDAPRJY-UHFFFAOYSA-N
-rxn:4:184031:226844,CC(C)(C)OC(=O)N1CCCC(COc2cc(F)cc(-c3ccnc(C(=O)C(F)(F)F)c3)c2)C1,MAWDDFDIGWLEJD-UHFFFAOYSA-N
-rxn:4:184031:227478,COC(OC)c1cncc(-c2cc(F)cc(OCC3CCCN(C(=O)OC(C)(C)C)C3)c2)c1,NSQMHXBJGAQZNW-UHFFFAOYSA-N
-rxn:4:184032:223279,CC(C)(C)OC(=O)N1CCCCC1COc1cc(F)cc(-c2cnc(C3CCCN3)nc2)c1,SUSNQFAYUXNBLG-UHFFFAOYSA-N
-rxn:4:184033:226844,CC(C)(C)OC(=O)N1CCCC(OS(=O)(=O)c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2)C1,UYCPRBUQBQRPGI-UHFFFAOYSA-N
-rxn:4:184035:222630,O=C(c1ccc(-c2cc(C3CCC3)nc(C3CCNCC3)c2)cc1)N1CCCC(COCc2ccccc2)C1,NNEGVAKPRHQWEZ-UHFFFAOYSA-N
-rxn:4:184038:222630,O=C(c1ccccc1-c1cc(C2CCC2)nc(C2CCNCC2)c1)N1CCC(COCc2ccc(Cl)cc2)CC1,DZXFMQHBTBRAPV-UHFFFAOYSA-N
-rxn:4:184039:222630,O=C(c1cccc(-c2cc(C3CCC3)nc(C3CCNCC3)c2)c1)N1CCC(COCc2ccc(Cl)cc2)CC1,QBBMJGVHDNQTOB-UHFFFAOYSA-N
-rxn:4:184040:222630,O=C(c1ccccc1-c1cc(C2CCC2)nc(C2CCNCC2)c1)N1CCC(COCc2ccc(F)cc2)CC1,INBZSHRJCBGEEJ-UHFFFAOYSA-N
-rxn:4:184041:222630,O=C(c1cccc(-c2cc(C3CCC3)nc(C3CCNCC3)c2)c1)N1CCC(COCc2ccc(F)cc2)CC1,LQNAGBKPTCSDTQ-UHFFFAOYSA-N
-rxn:4:184042:222630,O=C(c1cc(-c2cc(C3CCC3)nc(C3CCNCC3)c2)ccc1Cl)N1CCC(COCc2ccc(F)cc2)CC1,FRPHTMBEQBFCOR-UHFFFAOYSA-N
-rxn:4:184051:226844,COc1ccc(C(=O)N(Cc2cccc(-c3ccnc(C(=O)C(F)(F)F)c3)c2)C2CCS(=O)(=O)C2)cc1Cl,ZRLOBLBLBDBFSF-UHFFFAOYSA-N
-rxn:4:184053:223179,CONC(=O)c1cc(-c2cc(CN(C)C(=O)OC(C)(C)C)cc(C(C)(C)C)c2)ccc1F,ZLZIZONZDPXKHM-UHFFFAOYSA-N
-rxn:4:184063:223179,CONC(=O)c1cc(-c2ccc(CN(C(=O)OC(C)(C)C)C3CCCC3)c(C)c2)ccc1F,JXGISNWZTSQITF-UHFFFAOYSA-N
-rxn:4:184063:226844,Cc1cc(-c2ccnc(C(=O)C(F)(F)F)c2)ccc1CN(C(=O)OC(C)(C)C)C1CCCC1,DOCCYWGBJUYSGP-UHFFFAOYSA-N
-rxn:4:184064:226057,CCCCCCc1ccc(-c2cc(C)ccc2CN(C(=O)OC(C)(C)C)C2CCCC2)cc1,HODICAMTKSLGAL-UHFFFAOYSA-N
-rxn:4:184064:226914,Cc1ccc(CN(C(=O)OC(C)(C)C)C2CCCC2)c(-c2ccc(CC(C)C)cc2C)c1,FFLKLENMVDQXBS-UHFFFAOYSA-N
-rxn:4:184066:222630,CC(C)(C)OC(=O)N(Cc1cccc(Cl)c1-c1cc(C2CCC2)nc(C2CCNCC2)c1)C1CCCCC1,GWQRFNCSAOHODQ-UHFFFAOYSA-N
-rxn:4:184066:223179,CONC(=O)c1cc(-c2c(Cl)cccc2CN(C(=O)OC(C)(C)C)C2CCCCC2)ccc1F,FDADOPRPAXBBNR-UHFFFAOYSA-N
-rxn:4:184067:223179,CONC(=O)c1cc(-c2ccc(CN(C(=O)OC(C)(C)C)C3CCC(F)(F)CC3)cc2)ccc1F,BATRDTSIDJNNSH-UHFFFAOYSA-N
-rxn:4:184068:226844,O=C(CCc1ccccc1-c1ccnc(C(=O)C(F)(F)F)c1)N1CC(S(=O)(=O)C2CCCCC2)C1,SJOIHRLCABZPSG-UHFFFAOYSA-N
-rxn:4:184070:223279,COC(=O)C1(c2ccc(-c3cnc(C4CCCN4)nc3)cc2C)CCN(C(=O)OC(C)(C)C)C1,GJCARXWLDFXMQJ-UHFFFAOYSA-N
-rxn:4:184071:223179,CONC(=O)c1cc(-c2cccc(S(=O)(=O)CC3CCN(C(=O)OC(C)(C)C)CC3)c2)ccc1F,JXJNDFFBUOUHLK-UHFFFAOYSA-N
-rxn:4:184084:223179,CONC(=O)c1cc(-c2c(C)cccc2OCC2CCN(C(=O)OC(C)(C)C)CC2)ccc1F,ASILYNDPUVZJOS-UHFFFAOYSA-N
-rxn:4:184084:223279,Cc1cccc(OCC2CCN(C(=O)OC(C)(C)C)CC2)c1-c1cnc(C2CCCN2)nc1,DNNGYOBPPJAHJW-UHFFFAOYSA-N
-rxn:4:184085:223179,CONC(=O)c1cc(-c2cccc(OCC3CCN(C(=O)OC(C)(C)C)CC3)c2C)ccc1F,SBBKNLKJORVKJL-UHFFFAOYSA-N
-rxn:4:184087:226844,O=C(C1=C(c2ccccc2)SCCO1)N(Cc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)o1)C1CCS(=O)(=O)C1,YVEFBHVPHUDTGQ-UHFFFAOYSA-N
-rxn:4:184090:223279,COC(=O)c1cc(-c2cnc(C3CCCN3)nc2)cc(C2CCN(C(=O)OC(C)(C)C)CC2C)c1,JWECLTTUMNZQMQ-UHFFFAOYSA-N
-rxn:4:184093:224601,CC(C)c1ccc(CN(C(=O)c2ccc(-c3ccc4c(cnn4C4CCCCO4)c3)cc2)C2CCS(=O)(=O)C2)cc1,CTTDFLUXPXCSKQ-UHFFFAOYSA-N
-rxn:4:184095:223179,CONC(=O)c1cc(-c2ccc(S(=O)(=O)N3CCC[C@@H]3CO[Si](C)(C)C(C)(C)C)cc2)ccc1F,NKTITPNYIRIDER-HXUWFJFHSA-N
-rxn:4:184095:226844,CC(C)(C)[Si](C)(C)OC[C@H]1CCCN1S(=O)(=O)c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1,RGOAJEVOLRNMRD-LJQANCHMSA-N
-rxn:4:184096:223179,CONC(=O)c1cc(-c2ccc(CN(C(=O)OC(C)(C)C)C3CCC(C)(C)CC3)cc2)ccc1F,JNDPBKNQDUHNQE-UHFFFAOYSA-N
-rxn:4:184096:226844,CC1(C)CCC(N(Cc2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2)C(=O)OC(C)(C)C)CC1,HFFQILQJDIAWPG-UHFFFAOYSA-N
-rxn:4:184096:226920,Cc1ccc(C(C)(C)C)cc1-c1ccc(CN(C(=O)OC(C)(C)C)C2CCC(C)(C)CC2)cc1,YVZNVFXEDYLDBG-UHFFFAOYSA-N
-rxn:4:184096:228605,COc1c(C)cccc1-c1ccc(CN(C(=O)OC(C)(C)C)C2CCC(C)(C)CC2)cc1,IDLWSBPTYCBGBA-UHFFFAOYSA-N
-rxn:4:184098:226844,CC(C)(C)c1ccc(C(=O)N(Cc2cccc(-c3ccnc(C(=O)C(F)(F)F)c3)c2)C2CCS(=O)(=O)C2)cc1,WKKMBYXFNOMDCH-UHFFFAOYSA-N
-rxn:4:184099:223179,CONC(=O)c1cc(-c2ccc(C(C)N(C(=O)OC(C)(C)C)C3CCC(C)(C)CC3)cc2)ccc1F,LZTCTMRDBWXRDS-UHFFFAOYSA-N
-rxn:4:184099:223231,CNC(=O)c1ccc(-c2ccc(C(C)N(C(=O)OC(C)(C)C)C3CCC(C)(C)CC3)cc2)cc1C,LBWRMEBSFYERCV-UHFFFAOYSA-N
-rxn:4:184099:223255,CONC(=O)c1cccc(-c2ccc(C(C)N(C(=O)OC(C)(C)C)C3CCC(C)(C)CC3)cc2)c1,UIICQAZOAPYFQS-UHFFFAOYSA-N
-rxn:4:184099:223721,CC(c1ccc(-c2cccc(COc3cccc4ccccc34)c2)cc1)N(C(=O)OC(C)(C)C)C1CCC(C)(C)CC1,JWQONWOVAYYZBW-UHFFFAOYSA-N
-rxn:4:184099:226844,CC(c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1)N(C(=O)OC(C)(C)C)C1CCC(C)(C)CC1,HDPWOWKVCAAKTF-UHFFFAOYSA-N
-rxn:4:184099:228078,CC(c1ccc(-c2ccc3c(c2)COC3=O)cc1)N(C(=O)OC(C)(C)C)C1CCC(C)(C)CC1,WMDNWNLSOYTVID-UHFFFAOYSA-N
-rxn:4:184099:228453,COC(=O)Cn1cc(-c2ccc(C(C)N(C(=O)OC(C)(C)C)C3CCC(C)(C)CC3)cc2)cn1,ZAAGVGJLELGOOZ-UHFFFAOYSA-N
-rxn:4:184100:225702,COC(=O)n1c(-c2cc(C)cc(CN(C(=O)OC(C)(C)C)C3CCC(C)(C)CC3)c2)cc2ccccc21,NWJHGRCTFVVGET-UHFFFAOYSA-N
-rxn:4:184133:225162,CCOC(=O)c1cc2ccc(-c3ccc(C(=O)N4CCCC4)c(Cl)c3)cc2n1C(=O)OC(C)(C)C,HEHSPFLVSDTIHR-UHFFFAOYSA-N
-rxn:4:184185:224426,CC(=O)Oc1c(-c2cc(C3CCCCC3)cc(C3CC3)c2)cc(N(C(C)=O)S(=O)(=O)c2ccc(C)cc2)c2ccccc12,CAMMIJYCVFARRZ-UHFFFAOYSA-N
-rxn:4:184202:224409,CC(C)(C)OC(=O)N1CCc2c(F)c(-c3cc(OCC(F)(F)F)cc(C(F)(F)F)c3)cc(OCc3ccccc3)c2C1=O,JGGAXVJMAKIIGP-UHFFFAOYSA-N
-rxn:4:184216:223179,CONC(=O)c1cc(-c2cc(OCC3CCN(C(=O)OC(C)(C)C)CC3)cc3ccccc23)ccc1F,HLALYQAMHKCWCZ-UHFFFAOYSA-N
-rxn:4:184216:226844,CC(C)(C)OC(=O)N1CCC(COc2cc(-c3ccnc(C(=O)C(F)(F)F)c3)c3ccccc3c2)CC1,FKNQDVBEAKUQJU-UHFFFAOYSA-N
-rxn:4:184217:223179,CONC(=O)c1cc(-c2ccc3oc(C(=O)N(Cc4cccc(OC)c4)C4CCS(=O)(=O)C4)c(C)c3c2)ccc1F,PAEQTMPKUJUCSR-UHFFFAOYSA-N
-rxn:4:184225:223179,CONC(=O)c1cc(-c2ccc(S(=O)(=O)N(C(=O)C3CCCCC3)c3ccc4oc(C)c(C(C)=O)c4c3)cc2)ccc1F,LNUKFRIPCGMVFP-UHFFFAOYSA-N
-rxn:4:184225:226844,CC(=O)c1c(C)oc2ccc(N(C(=O)C3CCCCC3)S(=O)(=O)c3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3)cc12,PFPNTMFOGGMVLW-UHFFFAOYSA-N
-rxn:4:184264:223901,CC1CCN(CCOc2ccc(-c3cccc(C#N)c3OCCC(F)(F)F)cc2Cl)CC1,MNKUMDGLPMQWQC-UHFFFAOYSA-N
-rxn:4:184304:223918,COC(=O)c1cnc(OCC(F)(F)F)c(-c2cc(C(=O)N(C)C3CCCCC3)ccc2F)c1,PUTZSYJOILLEQG-UHFFFAOYSA-N
-rxn:4:184480:224681,CCOC(=O)c1ccc(C(F)(F)F)c(-c2ccc(C(=O)N3CCCCC3)c(F)c2)c1C#N,MICGSBMUYUNASY-UHFFFAOYSA-N
-rxn:4:184493:224361,CCOC(=O)c1cc(C#N)c(-c2ccc(OC)c(S(=O)(=O)N(CC)CC)c2)cc1C(F)(F)F,JSIHRGGLETZWFH-UHFFFAOYSA-N
-rxn:4:184695:226844,O=C(ON1C(=O)CCC1=O)c1cc(OC(F)(F)F)cc(-c2ccnc(C(=O)C(F)(F)F)c2)c1,ZDTRCRMKYJYINP-UHFFFAOYSA-N
-rxn:4:184714:223528,COCCS(=N)(=O)c1cc(-c2ccc(F)c(CN3CCN(C(=O)OC(C)(C)C)CC3)c2)ccc1OC,BUTVOZQTCRFBTF-UHFFFAOYSA-N
-rxn:4:184752:223822,CCN(CC)C(=O)Cc1cccc(-c2cc(C(F)(F)F)ccc2C(=O)OCC(C)(C)C)c1,YPUKYDCYAIWTIG-UHFFFAOYSA-N
-rxn:4:184804:223970,COC(=O)c1cc(Oc2ccc(-c3ccc(C)c(S(=O)(=O)N4CCC(C)CC4)c3)c(F)c2)ccc1[N+](=O)[O-],HEJBJRIWTHMCMM-UHFFFAOYSA-N
-rxn:4:184839:223822,CCN(CC)S(=O)(=O)c1cc(-c2cc(C(F)(F)F)ccc2C(=O)OCC(C)(C)C)cc(C(F)(F)F)c1,JETCPLYKJMMLSK-UHFFFAOYSA-N
-rxn:4:184885:223179,CONC(=O)c1cc(-c2ccc(C(=O)N(CC(F)(F)F)C3CCOCC3)o2)ccc1F,XMDAERUFHORQHO-UHFFFAOYSA-N
-rxn:4:184885:226844,O=C(c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)o1)N(CC(F)(F)F)C1CCOCC1,VGDYBWHJCXTCDE-UHFFFAOYSA-N
-rxn:4:184891:224306,O=C(COc1ccc(C(F)(F)F)cc1-c1ccc(C(F)(F)F)cc1OC1CCCC1)N1CCCC1,FRSQGZYVRFVWTB-UHFFFAOYSA-N
-rxn:4:184921:224619,Fc1cc(-c2cccc(F)c2OCCCN2CCC(F)(F)C2)ccc1OCCN1CCCC1,CTEMNQYISCFUHI-UHFFFAOYSA-N
-rxn:4:184929:223179,CONC(=O)c1cc(-c2ccc(OCC(F)(F)F)c(C(=O)N3CCOCC3)c2)ccc1F,NJMOWSZWHKAERB-UHFFFAOYSA-N
-rxn:4:184929:226844,O=C(c1cc(-c2ccnc(C(=O)C(F)(F)F)c2)ccc1OCC(F)(F)F)N1CCOCC1,MECLSMOTXFXJKE-UHFFFAOYSA-N
-rxn:4:184931:223179,CONC(=O)c1cc(-c2cc(C=C3SC(=S)N(CC(=O)OC)C3=O)ccc2OC)ccc1F,NKZLWAIEQZWOMU-UHFFFAOYSA-N
-rxn:4:184931:223279,COC(=O)CN1C(=O)C(=Cc2ccc(OC)c(-c3cnc(C4CCCN4)nc3)c2)SC1=S,XNJJWLRHTCGRLH-UHFFFAOYSA-N
-rxn:4:184931:226844,COC(=O)CN1C(=O)C(=Cc2ccc(OC)c(-c3ccnc(C(=O)C(F)(F)F)c3)c2)SC1=S,VWVKHTDCJVUUIG-UHFFFAOYSA-N
-rxn:4:184936:222522,CCN(C(=O)OC(C)(C)C)c1cccc(-c2ccc(OC)c(S(=O)(=O)N3CCC(O)CC3)c2)c1,QVMJZOCBUJJRIG-UHFFFAOYSA-N
-rxn:4:185035:222918,CC(C)(C)NS(=O)(=O)c1cccc(-c2ccc(OC[C@H]3CCCN(CC(F)F)C3)cc2)c1,VQRXPLCAVSURFG-SFHVURJKSA-N
-rxn:4:185061:223179,CONC(=O)c1cc(-c2cc(Cl)cc(F)c2OCCN2CCCC(C(F)(F)F)C2)ccc1F,MCHAFRBLIZYNFR-UHFFFAOYSA-N
-rxn:4:185062:223279,Fc1cc(Cl)cc(-c2cnc(C3CCCN3)nc2)c1OCCN1CCC(C(F)(F)F)CC1,ARVSEUVMBIPWSO-UHFFFAOYSA-N
-rxn:4:185062:226844,O=C(c1cc(-c2cc(Cl)cc(F)c2OCCN2CCC(C(F)(F)F)CC2)ccn1)C(F)(F)F,UQCXJVZUKLEQNV-UHFFFAOYSA-N
-rxn:4:185071:224760,COc1ccc(S(=O)(=O)C2CN(C(=O)c3ccc(-c4ccc(S(=O)(=O)N5CCCCC5)cc4)o3)C2)cc1,YFIWYLYJVNYZEO-UHFFFAOYSA-N
-rxn:4:185085:223540,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1cc(C)ccc1CN(C)C(=O)OC(C)(C)C,FCOLKBVNRZCBTO-UHFFFAOYSA-N
-rxn:4:185102:226844,CC(C)CN(C(=O)c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)o1)C1CCS(=O)(=O)C1,MSNAZPJBXTYCHG-UHFFFAOYSA-N
-rxn:4:185111:223179,CONC(=O)c1cc(-c2cc(F)ccc2CC(=O)N2CCC(C(=O)OC)CC2)ccc1F,ULMFIAHMFLAPCA-UHFFFAOYSA-N
-rxn:4:185113:223279,O=C(CS(=O)(=O)c1ccc(-c2cnc(C3CCCN3)nc2)cc1)N1CCCC(C(F)(F)F)C1,BXIQXMSCTGLCOY-UHFFFAOYSA-N
-rxn:4:185114:222654,O=C(NC1CCCCC1)c1cc(-c2ccc(S(=O)(=O)CC(=O)N3CCC(C(F)(F)F)CC3)cc2)ccc1Cl,KLJPXAVMCMYBGP-UHFFFAOYSA-N
-rxn:4:185117:223279,O=C(CS(=O)(=O)c1cccc(-c2cnc(C3CCCN3)nc2)c1)N1CCCC(C(F)(F)F)C1,XTDGUFWAXHJUFE-UHFFFAOYSA-N
-rxn:4:185117:224205,O=C(CS(=O)(=O)c1cccc(-c2cc(F)cc(F)c2OCc2ccccc2)c1)N1CCCC(C(F)(F)F)C1,NMKQVXKUDWBOGE-UHFFFAOYSA-N
-rxn:4:185118:223179,CONC(=O)c1cc(-c2cccc(S(=O)(=O)CC(=O)N3CCC(C(F)(F)F)CC3)c2)ccc1F,FYWJPLUFFKFJMJ-UHFFFAOYSA-N
-rxn:4:185118:223279,O=C(CS(=O)(=O)c1cccc(-c2cnc(C3CCCN3)nc2)c1)N1CCC(C(F)(F)F)CC1,FHWTXCQWZJLBIP-UHFFFAOYSA-N
-rxn:4:185135:224490,COC(=O)C1CCN(CCc2cc(-c3ccccc3OCCN3CCCCC3)ccc2Cl)CC1,YANSNHBPQBXSIZ-UHFFFAOYSA-N
-rxn:4:185143:223179,CONC(=O)c1cc(-c2ccc(N(C(=O)CC(C)C)C3C=CS(=O)(=O)C3)cc2)ccc1F,WDEYQLCKIVILIX-UHFFFAOYSA-N
-rxn:4:185148:225596,CC(C)(C)OC(=O)N1CC(S(=O)(=O)c2ccc(-c3ccc(Cl)c(CN4CCCC4)c3)cc2)C1,MSKFKXWKNOPDAN-UHFFFAOYSA-N
-rxn:4:185150:226844,CC(C)(C)OC(=O)N1CC(S(=O)(=O)c2ccccc2-c2ccnc(C(=O)C(F)(F)F)c2)C1,KRUOEBVUYZWUNA-UHFFFAOYSA-N
-rxn:4:185156:223279,COC(=O)c1cc(-c2cnc(C3CCCN3)nc2)ccc1CN1CCC(C(F)(F)F)CC1,UQNDPBVAZJUEKN-UHFFFAOYSA-N
-rxn:4:185156:226844,COC(=O)c1cc(-c2ccnc(C(=O)C(F)(F)F)c2)ccc1CN1CCC(C(F)(F)F)CC1,YPPOAFSVZUHXOR-UHFFFAOYSA-N
-rxn:4:185156:227546,COC(=O)c1cc(-c2cccc(C(=O)OC)c2F)ccc1CN1CCC(C(F)(F)F)CC1,OVVVMKKGHQCEHN-UHFFFAOYSA-N
-rxn:4:185157:223279,COC(=O)c1cc(-c2cnc(C3CCCN3)nc2)ccc1CN1CCCC(C(F)(F)F)C1,WHLPBEYNTILEHE-UHFFFAOYSA-N
-rxn:4:185157:226844,COC(=O)c1cc(-c2ccnc(C(=O)C(F)(F)F)c2)ccc1CN1CCCC(C(F)(F)F)C1,SWMQTQFWIHABPM-UHFFFAOYSA-N
-rxn:4:185158:226844,COC(=O)c1cc(CN2CCC(C(F)(F)F)CC2)cc(-c2ccnc(C(=O)C(F)(F)F)c2)c1,HZHBCARLAQYVNU-UHFFFAOYSA-N
-rxn:4:185160:223279,COC(=O)c1ccc(-c2cnc(C3CCCN3)nc2)c(CN2CCCC(C(F)(F)F)C2)c1,ZGVLRCGPIGIOCS-UHFFFAOYSA-N
-rxn:4:185160:226844,COC(=O)c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)c(CN2CCCC(C(F)(F)F)C2)c1,YGWPAZVNTDDJDD-UHFFFAOYSA-N
-rxn:4:185161:223179,CONC(=O)c1cc(-c2cc(C(F)(F)F)ccc2C2CN(C(=O)OC(C)(C)C)C2)ccc1F,OIAYLPOORJFYRO-UHFFFAOYSA-N
-rxn:4:185162:223279,CC(C)(C)OC(=O)N1CC(c2cc(C(F)(F)F)ccc2-c2cnc(C3CCCN3)nc2)C1,IQVFVTMUQOUWLF-UHFFFAOYSA-N
-rxn:4:185163:223279,CC(C)(C)OC(=O)N1CC(c2cc(-c3cnc(C4CCCN4)nc3)cc(C(F)(F)F)c2)C1,LODMCYJRGOMQLH-UHFFFAOYSA-N
-rxn:4:185165:223279,CC(C)(C)OC(=O)N1CC(c2cc(-c3cnc(C4CCCN4)nc3)ccc2C(F)(F)F)C1,HUIWCZPCBJBNJA-UHFFFAOYSA-N
-rxn:4:185166:223179,CONC(=O)c1cc(-c2cc(C3CN(C(=O)OC(C)(C)C)C3)ccc2C(F)(F)F)ccc1F,SABLXSILHQCIRD-UHFFFAOYSA-N
-rxn:4:185166:223279,CC(C)(C)OC(=O)N1CC(c2ccc(C(F)(F)F)c(-c3cnc(C4CCCN4)nc3)c2)C1,VWKRZZZLPLWGGP-UHFFFAOYSA-N
-rxn:4:185190:222871,CC(C)CNC(=O)c1ccc(-c2ccc(OCCCN3CCC(C)CC3)c(F)c2)cc1Cl,QATGDJGBSTWKKR-UHFFFAOYSA-N
-rxn:4:185198:224970,COC(=O)c1cc(-c2ccc(S[Si](C)(C)C(C)(C)C)cc2)ccc1CN1CCC(OC)CC1,XPQCCWINEFZWEO-UHFFFAOYSA-N
-rxn:4:185199:224588,COC(=O)c1cc(CN2CCC(OC)CC2)cc(-c2cc(F)cc(CN3CCC(C)CC3)c2)c1,TVHLKZKIMYCAHI-UHFFFAOYSA-N
-rxn:4:185209:223179,CCOc1cccc(-c2ccc(F)c(C(=O)NOC)c2)c1CN1CCC(C(F)(F)F)CC1,RBWANMFEZLTPFF-UHFFFAOYSA-N
-rxn:4:185210:223179,CCOc1cccc(-c2ccc(F)c(C(=O)NOC)c2)c1CN1CCCC(C(F)(F)F)C1,OJBPMSBQPWQKJA-UHFFFAOYSA-N
-rxn:4:185212:223279,CC(C)(C)OC(=O)N1C(Cc2ccc(-c3cnc(C4CCCN4)nc3)cc2)COS1(=O)=O,CISSUVABTBATLI-UHFFFAOYSA-N
-rxn:4:185224:223179,CONC(=O)c1cc(-c2cc(OC)c(C(=O)N3CCC(C(F)(F)F)CC3)c(OC)c2)ccc1F,QDZMVWUNIBLGRA-UHFFFAOYSA-N
-rxn:4:185224:223279,COc1cc(-c2cnc(C3CCCN3)nc2)cc(OC)c1C(=O)N1CCC(C(F)(F)F)CC1,NKBGECYXCHOGQK-UHFFFAOYSA-N
-rxn:4:185225:223151,COc1cc(-c2ccc(C(=O)NCC#N)cc2)cc(OC)c1C(=O)N1CCCC(C(F)(F)F)C1,UOHDYJZCMJOPGT-UHFFFAOYSA-N
-rxn:4:185226:226844,COc1cc(-c2ccnc(C(=O)C(F)(F)F)c2)cc(OC)c1C(=O)N1CCCCC1C(F)(F)F,NULNDHRYUFLKIY-UHFFFAOYSA-N
-rxn:4:185241:225327,CCCOc1ncc(C(F)(F)F)cc1-c1cccc(CN2CCCCC2)c1OCC1CC1,ABZDBOLSICBRTD-UHFFFAOYSA-N
-rxn:4:185244:226844,CC(C)CN(C(=O)c1cccc(-c2ccnc(C(=O)C(F)(F)F)c2)c1)C1CCS(=O)(=O)C1,NMFKIUMQZXRDKO-UHFFFAOYSA-N
-rxn:4:185245:226235,CCCCOc1ccc(-c2ccc(C(=O)N3CCC(S(=O)(=O)CC(C)C)CC3)o2)c(C)n1,XOBAPWBVQMUYHW-UHFFFAOYSA-N
-rxn:4:185246:226844,CC(C)(C)OC(=O)N1CCC(=O)C1Cc1cccc(-c2ccnc(C(=O)C(F)(F)F)c2)c1,PWKQBHMSPYVKLL-UHFFFAOYSA-N
-rxn:4:185247:226844,COc1cc(-c2ccnc(C(=O)C(F)(F)F)c2)cc(OC)c1CN1CCC(C(F)(F)F)CC1,IOBATLVJYINFQY-UHFFFAOYSA-N
-rxn:4:185248:226844,COc1cc(-c2ccnc(C(=O)C(F)(F)F)c2)cc(OC)c1CN1CCCC(C(F)(F)F)C1,JUTRPAYIWVGWJN-UHFFFAOYSA-N
-rxn:4:185259:224189,COc1cc(-c2cc(C(C)C)ccc2OCC(=O)N2CCCCC2)ccc1O[Si](C)(C)C(C)(C)C,MZODYMKDLLUCGO-UHFFFAOYSA-N
-rxn:4:185263:226844,COc1cc(N2CCC(C(OC)OC)CC2)cc(F)c1-c1ccnc(C(=O)C(F)(F)F)c1,VYTVJATVCRXOED-UHFFFAOYSA-N
-rxn:4:185265:224719,CC(C)c1nn(C(=O)OC(C)(C)C)cc1-c1cccc(C2CN(CC(=O)OC(C)(C)C)C(=O)CO2)c1,UUGWRHHKPZSYIH-UHFFFAOYSA-N
-rxn:4:185265:226844,CC(C)(C)OC(=O)CN1CC(c2cccc(-c3ccnc(C(=O)C(F)(F)F)c3)c2)OCC1=O,JPJPTNBOUGLVLK-UHFFFAOYSA-N
-rxn:4:185271:223179,CONC(=O)c1cc(-c2ccc(C3(C(F)(F)F)CCN(C(=O)OC(C)(C)C)C3)c(Cl)c2)ccc1F,JWDPCXKQUCUHGA-UHFFFAOYSA-N
-rxn:4:185271:226844,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2Cl)(C(F)(F)F)C1,QYTJHSDIMIJFEO-UHFFFAOYSA-N
-rxn:4:185278:222442,O=C(c1cccc(-c2ccc(S(=O)(=O)NC3CCCC3)c3ccccc23)c1)N1CCC(S(=O)(=O)Cc2ccco2)CC1,JONZFZOOLSNCBX-UHFFFAOYSA-N
-rxn:4:185281:224952,O=C(c1ccc(Cl)cc1)N(Cc1cccc(-c2cccc(CCN3CCOCC3)c2)c1)C1CCS(=O)(=O)C1,PPTNEGXJTICWRC-UHFFFAOYSA-N
-rxn:4:185295:222854,COc1ccc(C2CCCNC2)cc1-c1ccc(C(=O)N(Cc2cccc(F)c2)C2CCS(=O)(=O)C2)cc1,JEKGDNODRPEFIH-UHFFFAOYSA-N
-rxn:4:185299:226844,COc1cc(C=C2SC(=O)N(Cc3ccc(F)cc3)C2=O)cc(-c2ccnc(C(=O)C(F)(F)F)c2)c1OC,LXNFUDWDYVTIKA-UHFFFAOYSA-N
-rxn:4:185302:223752,CCN(C1CCCCC1)S(=O)(=O)c1cc(-c2ccccc2CN2C(=O)c3ccccc3C2=O)ccc1OC,NLTYNCITABMXSQ-UHFFFAOYSA-N
-rxn:4:185303:226844,CCOc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1S(=O)(=O)N(C)C1CCCCC1,VKKOGCBUQMPHMD-UHFFFAOYSA-N
-rxn:4:185304:223179,CCN(C1CCCCC1)S(=O)(=O)c1ccc(-c2ccc(F)c(C(=O)NOC)c2)c(OC)c1,NECAADXIXCTVTR-UHFFFAOYSA-N
-rxn:4:185306:223141,CCOc1cc(S(=O)(=O)N(C)C2CCCCC2)ccc1-c1cncc(C2CCNCC2)c1,PMAGYOROQTXWIW-UHFFFAOYSA-N
-rxn:4:185306:226844,CCOc1cc(S(=O)(=O)N(C)C2CCCCC2)ccc1-c1ccnc(C(=O)C(F)(F)F)c1,RFGMOVKIRMVEOH-UHFFFAOYSA-N
-rxn:4:185309:223179,CONC(=O)c1cc(-c2cccc(OC3CCN(C(=O)OC(C)(C)C)CC3)c2)ccc1F,PTXNSHXWWQNCMY-UHFFFAOYSA-N
-rxn:4:185311:226844,CCN(c1cc(-c2ccnc(C(=O)C(F)(F)F)c2)cc(C(=O)OC)c1C)C1CCOCC1,YZDQMZMILPXDIX-UHFFFAOYSA-N
-rxn:4:185314:223179,CONC(=O)c1cc(-c2cccc(OC3CCCN(C(=O)OC(C)(C)C)C3)c2)ccc1F,GOYRZSKETSIHNB-UHFFFAOYSA-N
-rxn:4:185315:223179,CONC(=O)c1cc(-c2ccc(C3CC3)c(C3CN(C(=O)OC(C)(C)C)C3)c2)ccc1F,KKAGKXZZPOHTLE-UHFFFAOYSA-N
-rxn:4:185320:223179,CONC(=O)c1cc(-c2ccc(OC3CCN(C(=O)OC(C)(C)C)CC3)c(Cl)c2)ccc1F,QFJMNRVUIAMNKE-UHFFFAOYSA-N
-rxn:4:185321:223885,CC(C)(C)OC(=O)N1CCC(Oc2ccc(Cl)c(-c3ccc4c(c3)CN(C(=O)OC(C)(C)C)CC4)c2)CC1,UVEXVUXASBHFJZ-UHFFFAOYSA-N
-rxn:4:185321:226844,CC(C)(C)OC(=O)N1CCC(Oc2ccc(Cl)c(-c3ccnc(C(=O)C(F)(F)F)c3)c2)CC1,KQKJDTQFIONAOK-UHFFFAOYSA-N
-rxn:4:185323:223179,CONC(=O)c1cc(-c2ccc(OC3CCN(C(=O)OC(C)(C)C)CC3)c(F)c2)ccc1F,STWJLFVCAAEXJY-UHFFFAOYSA-N
-rxn:4:185323:226844,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2F)CC1,HXCHXCBVSDIMOW-UHFFFAOYSA-N
-rxn:4:185324:223179,CONC(=O)c1cc(-c2cc(F)cc(OC3CCN(C(=O)OC(C)(C)C)CC3)c2)ccc1F,DNAIUHSEEDKGTP-UHFFFAOYSA-N
-rxn:4:185337:225009,Cc1cnc(OC2CCCCC2)c(-c2ccccc2S(=O)(=O)N2CCCC2CS(=O)(=O)c2ccccc2)c1,CQJPKYUCJDPZCA-UHFFFAOYSA-N
-rxn:4:185343:223179,CONC(=O)c1cc(-c2cccc(N3C(=O)C(=Cc4cc(OC)c(OC)c(OC)c4)SC3=S)c2)ccc1F,ADJYCFSOTVUHDS-UHFFFAOYSA-N
-rxn:4:185343:226844,COc1cc(C=C2SC(=S)N(c3cccc(-c4ccnc(C(=O)C(F)(F)F)c4)c3)C2=O)cc(OC)c1OC,GCAWGLYLNWWLJM-UHFFFAOYSA-N
-rxn:4:185344:223179,CONC(=O)c1cc(-c2ccccc2N2C(=O)C(=Cc3cc(OC)c(OC)c(OC)c3)SC2=S)ccc1F,SRAUXSYTCUPCMF-UHFFFAOYSA-N
-rxn:4:185344:226844,COc1cc(C=C2SC(=S)N(c3ccccc3-c3ccnc(C(=O)C(F)(F)F)c3)C2=O)cc(OC)c1OC,WCYAIUDJWDKRPE-UHFFFAOYSA-N
-rxn:4:185348:223279,CCCOc1cc(S(=O)(=O)N2CC(C)OC(C)C2)ccc1-c1cnc(C2CCCN2)nc1,QPUVGKWQHOOXQE-UHFFFAOYSA-N
-rxn:4:185352:223179,CONC(=O)c1cc(-c2ccc(C(=O)C3CCN(C(=O)OC(C)(C)C)CC3)cc2)ccc1F,MILUDXUFEPDSRL-UHFFFAOYSA-N
-rxn:4:185353:227315,CC(C)Cc1cc(F)c(-c2ccc(CC(=O)N3CCC(S(=O)(=O)C(C)(C)C)C3)cc2)cn1,DYNBNJFMIGMCJQ-UHFFFAOYSA-N
-rxn:4:185354:223179,CONC(=O)c1cc(-c2ccccc2C(=O)C2CCN(C(=O)OC(C)(C)C)CC2)ccc1F,ANJPQUFCLBYFAX-UHFFFAOYSA-N
-rxn:4:185355:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2cccc(C(=O)C3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1,ARAVHOKRTOTRCE-UHFFFAOYSA-N
-rxn:4:185355:223179,CONC(=O)c1cc(-c2cccc(C(=O)C3CCN(C(=O)OC(C)(C)C)CC3)c2)ccc1F,QNHIPNXCXGKUQX-UHFFFAOYSA-N
-rxn:4:185355:223279,CC(C)(C)OC(=O)N1CCC(C(=O)c2cccc(-c3cnc(C4CCCN4)nc3)c2)CC1,AUYNSJZVUAMKDJ-UHFFFAOYSA-N
-rxn:4:185367:225264,COC(=O)c1ccc(-c2cc(C(C)C)ccc2OCC(=O)N2CCC(C)CC2)cc1C(=O)OC,PMXQWBIULLHTHM-UHFFFAOYSA-N
-rxn:4:185368:224076,CC(C)(C)c1cc(-c2ccc3c(ccn3[Si](C)(C)C(C)(C)C)c2)ccc1OCC(=O)N1CCCCC1,LPNDJZGRNMBCOU-UHFFFAOYSA-N
-rxn:4:185371:223880,Cc1ccc2c(c1)cc(-c1ccc(CC3CCN(C(=O)OC(C)(C)C)CC3)cc1)n2C(=O)OC(C)(C)C,VMUGLIBCINNRJG-UHFFFAOYSA-N
-rxn:4:185374:222465,O=C(Cc1ccc(-c2cc(C3CCCCC3)nc(C3CCCNC3)c2)cc1)N1CC(S(=O)(=O)C2CCCCC2)C1,XXCQUVANYHBPFT-UHFFFAOYSA-N
-rxn:4:185374:223179,CONC(=O)c1cc(-c2ccc(CC(=O)N3CC(S(=O)(=O)C4CCCCC4)C3)cc2)ccc1F,CUAWGCLJMQITGL-UHFFFAOYSA-N
-rxn:4:185374:226844,O=C(Cc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1)N1CC(S(=O)(=O)C2CCCCC2)C1,LUGPQSACNCIHCM-UHFFFAOYSA-N
-rxn:4:185375:222989,Cc1cc(N2CCNCC2)ccc1-c1ccccc1S(=O)(=O)N1CCC(S(=O)(=O)CC(C)C)CC1,GBUWYNCRRLWCTF-UHFFFAOYSA-N
-rxn:4:185375:223179,CONC(=O)c1cc(-c2ccccc2S(=O)(=O)N2CCC(S(=O)(=O)CC(C)C)CC2)ccc1F,VASWEAJWTXYKQU-UHFFFAOYSA-N
-rxn:4:185378:223279,CC(C)(C)OC(=O)N1CCC(S(=O)(=O)c2cccc(-c3cnc(C4CCCN4)nc3)c2)CC1,NDMWITUJQGEMAO-UHFFFAOYSA-N
-rxn:4:185379:223179,CONC(=O)c1cc(-c2cccc(C(F)(F)C3CCN(C(=O)OC(C)(C)C)CC3)c2)ccc1F,XEIMPFXCYDMOHM-UHFFFAOYSA-N
-rxn:4:185379:226844,CC(C)(C)OC(=O)N1CCC(C(F)(F)c2cccc(-c3ccnc(C(=O)C(F)(F)F)c3)c2)CC1,ZBXDJRZLXBOXCB-UHFFFAOYSA-N
-rxn:4:185380:226844,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2)(C(F)(F)F)CC1,MEVFBVVOTWFQNZ-UHFFFAOYSA-N
-rxn:4:185385:228743,CC(C)(C)OC(=O)N1CCC(c2ccc(C(F)(F)F)c(-c3cc(Cl)ccc3C#N)c2)CC1,KOSGPLRLYCOTSG-UHFFFAOYSA-N
-rxn:4:185387:226844,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2C(F)(F)F)CC1,BJVQWYFGSQEZKJ-UHFFFAOYSA-N
-rxn:4:185398:223179,CONC(=O)c1cc(-c2cccc(C=C3C(=O)N(c4cccc(OC)c4)C(C)=C3C(=O)OC)c2)ccc1F,WDOXMDDDQNWXDB-UHFFFAOYSA-N
-rxn:4:185400:222584,CC(C)(C)[Si](C)(C)OC1CN(Cc2ccc(-c3ccc(OCCCN4CCNCC4)c(F)c3)cc2)C1,CBGVWTHPUFFVSC-UHFFFAOYSA-N
-rxn:4:185401:223279,CCCOc1cc(S(=O)(=O)N2CC(C)CC(C)C2)ccc1-c1cnc(C2CCCN2)nc1,OZHGLRZNNGOEEI-UHFFFAOYSA-N
-rxn:4:185403:223279,COc1cc(-c2cnc(C3CCCN3)nc2)cc(C2CCCN(C(=O)OC(C)(C)C)C2)c1,HDGMPWROYMLKIT-UHFFFAOYSA-N
-rxn:4:185403:224842,COc1cc(-c2ccc3c(c2)C(C)(C)CCC3(C)C)cc(C2CCCN(C(=O)OC(C)(C)C)C2)c1,IZUPOYQYGWUMDJ-UHFFFAOYSA-N
-rxn:4:185404:223079,CC(C)NS(=O)(=O)c1cccc(-c2ccc(C3CC3)cc2C2CCN(C(=O)OC(C)(C)C)C2)c1,UDIWUAHFALZNEQ-UHFFFAOYSA-N
-rxn:4:185405:226844,CC(C)(C)OC(=O)N1CCC(c2ccc(C3CC3)cc2-c2ccnc(C(=O)C(F)(F)F)c2)C1,FPQTTYMCZURPBM-UHFFFAOYSA-N
-rxn:4:185406:223279,COc1cc(-c2cnc(C3CCCN3)nc2)cc(C2CCN(C(=O)OC(C)(C)C)CC2)c1,NAXXSZUIMFFZGF-UHFFFAOYSA-N
-rxn:4:185407:223279,COc1ccc(C2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1cnc(C2CCCN2)nc1,VLVSSZSNOITFJW-UHFFFAOYSA-N
-rxn:4:185407:225709,COc1ccc(C2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccc(OCCCN(C)C)nc1,IEKVLNYKJOFXEI-UHFFFAOYSA-N
-rxn:4:185410:223279,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3cnc(C4CCCN4)nc3)c(C3CC3)c2)C1,BPPPHUPEZPPZOI-UHFFFAOYSA-N
-rxn:4:185412:226844,CC(C)(C)OC(=O)N1CCC(c2ccc(C3CC3)c(-c3ccnc(C(=O)C(F)(F)F)c3)c2)C1,OJNRZPHJGWLWBR-UHFFFAOYSA-N
-rxn:4:185413:224017,COc1ccc(C2CCCN(C(=O)OC(C)(C)C)C2)cc1-c1ccc(N2CCCS2(=O)=O)cc1C(F)(F)F,NYBIETIMJUMMAG-UHFFFAOYSA-N
-rxn:4:185422:223279,CC(C)(C)OC(=O)N1CCOC(c2ccc(-c3cnc(C4CCCN4)nc3)cc2C2CC2)C1,YBTKWHYHRXAEGY-UHFFFAOYSA-N
-rxn:4:185428:223279,CC1CCN(C(=O)COc2ccc(C(C)(C)C)cc2-c2cnc(C3CCCN3)nc2)CC1,ZSMTUMYSOYAVLH-UHFFFAOYSA-N
-rxn:4:185428:226844,CC1CCN(C(=O)COc2ccc(C(C)(C)C)cc2-c2ccnc(C(=O)C(F)(F)F)c2)CC1,RGCSYHLAHDOGPJ-UHFFFAOYSA-N
-rxn:4:185435:226844,CC(C)(C)c1ccc(C(=O)N(c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2)C2C=CS(=O)(=O)C2)cc1,OOSQZYZKFZGKLW-UHFFFAOYSA-N
-rxn:4:185437:223179,CONC(=O)c1cc(-c2ccc(F)cc2CN2CCC(O[Si](C)(C)C(C)(C)C)CC2)ccc1F,BOOSMFIKGOTTHF-UHFFFAOYSA-N
-rxn:4:185437:224261,CC(C)(C)[Si](C)(C)OC1CCN(Cc2cc(F)ccc2-c2ccc(-c3cccc(C(F)(F)F)c3)cc2)CC1,OMVGSUBXZNIGPA-UHFFFAOYSA-N
-rxn:4:185437:226844,CC(C)(C)[Si](C)(C)OC1CCN(Cc2cc(F)ccc2-c2ccnc(C(=O)C(F)(F)F)c2)CC1,OUYRGIJKLVJHEO-UHFFFAOYSA-N
-rxn:4:185440:223179,CONC(=O)c1cc(-c2ccc(S(=O)(=O)N3CCC(O[Si](C)(C)C(C)(C)C)CC3)cc2F)ccc1F,OELPQLAXOYXYHD-UHFFFAOYSA-N
-rxn:4:185440:223279,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3cnc(C4CCCN4)nc3)c(F)c2)CC1,YKULWLKIBNEEFK-UHFFFAOYSA-N
-rxn:4:185446:223078,CCNS(=O)(=O)c1ccc(-c2ccc(C(C)N3CCC(O[Si](C)(C)C(C)(C)C)CC3)cc2)c(C)c1,OYFRTXWSMDUDHN-UHFFFAOYSA-N
-rxn:4:185448:223279,CC(C)(C)OC(=O)N1CCC(c2cc(-c3cnc(C4CCCN4)nc3)cc(C3CCOCC3)c2)CC1,FJSJDJLQXOWJJE-UHFFFAOYSA-N
-rxn:4:185492:223866,COC(=O)c1cccc2c1c(-c1ccccc1CN1C(C)(C)CCCC1(C)C)cn2C(=O)OC(C)(C)C,NQDCOBRKVNGZBC-UHFFFAOYSA-N
-rxn:4:185511:224970,COC(=O)c1cc(-c2ccc(S[Si](C)(C)C(C)(C)C)cc2)c2c(c1)N(C(=O)OC(C)(C)C)CC2,OLZQYNRUXHINSK-UHFFFAOYSA-N
-rxn:4:185511:226844,COC(=O)c1cc(-c2ccnc(C(=O)C(F)(F)F)c2)c2c(c1)N(C(=O)OC(C)(C)C)CC2,IAKARSOOQUOPMS-UHFFFAOYSA-N
-rxn:4:185522:226844,CC(=O)Oc1cc(-c2ccnc(C(=O)C(F)(F)F)c2)cc2c1N(C(=O)OC(C)(C)C)CCO2,ASTFLPFCMNZTNT-UHFFFAOYSA-N
-rxn:4:185527:223179,CONC(=O)c1cc(-c2cc(CCC(=O)N3C4C=CCC3CC4)ccc2OC)ccc1F,KUTYLXITDWSFRU-UHFFFAOYSA-N
-rxn:4:185527:226844,COc1ccc(CCC(=O)N2C3C=CCC2CC3)cc1-c1ccnc(C(=O)C(F)(F)F)c1,WXRMEBYIQXGYBF-UHFFFAOYSA-N
-rxn:4:185535:223279,COC(=O)[C@@H]1Cc2ccc(-c3cnc(C4CCCN4)nc3)cc2CN1C(=O)OC(C)(C)C,PVJFTBPSGSDPBQ-ANYOKISRSA-N
-rxn:4:185543:226844,CN(CC1OCCc2cc(-c3ccnc(C(=O)C(F)(F)F)c3)ccc21)C(=O)OC(C)(C)C,RZZLSDZJMNXTJE-UHFFFAOYSA-N
-rxn:4:185559:224732,CCCOc1cc(S(=O)(=O)N2CCCc3ccccc32)ccc1-c1ccc(S(=O)(=O)OCC(C)(C)C)cc1,BJFJLHWNEADXMB-UHFFFAOYSA-N
-rxn:4:185567:223099,CS(=O)(=O)C1CC2CCC(C1)N2C(=O)CCc1ccccc1-c1cccc(NC(=O)C(F)(F)F)c1,KBTABNJZYLEIDB-UHFFFAOYSA-N
-rxn:4:185578:222824,Cc1cc(F)c(-c2ccc(-c3c(C(F)(F)F)oc4cc(OC(=O)N5CCOCC5)ccc4c3=O)cc2)cc1S(=O)(=O)NC(C)C,UMOUMHBACGVXII-UHFFFAOYSA-N
-rxn:4:185584:224803,CC(C)Oc1ccc(OC(F)(F)F)c(-c2cccc(CN(C(=O)c3cc4ccccc4oc3=O)C3CCS(=O)(=O)C3)c2)c1,LWCXCIPQHFDOHK-UHFFFAOYSA-N
-rxn:4:185608:223179,CONC(=O)c1cc(-c2ccc(CC(=O)N3C4CCC3CC(S(=O)(=O)c3ccccc3)C4)cc2)ccc1F,RRIUATJWXYJERH-UHFFFAOYSA-N
-rxn:4:185626:223179,CONC(=O)c1cc(-c2cc(F)cc3c2C[C@](c2ccccc2)([C@@H]2CCCN2C(=O)OC(C)(C)C)O3)ccc1F,IBSSCFDLNMIIFM-DHIFEGFHSA-N
-rxn:4:185627:226844,Cc1ccc2c(C)c(C(=O)N(Cc3cccc(-c4ccnc(C(=O)C(F)(F)F)c4)c3)C3CCS(=O)(=O)C3)oc2c1C,ITVYYGQNVHTHMV-UHFFFAOYSA-N
-rxn:4:185630:223179,CONC(=O)c1cc(-c2ccccc2-c2ccc(C[N+](C)(C)CC3=CC[C@H]4C[C@@H]3C4(C)C)cc2)ccc1F,KQXWHNWZGUJVCE-YZNIXAGQSA-O
-rxn:4:185648:224406,O=C(C1CCCCC1)N(c1ccc2oc3c(c2c1)CCCC3)S(=O)(=O)c1ccc(-c2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)cc1,VDBUXLAPWPPYPJ-UHFFFAOYSA-N
-rxn:4:185648:226059,CC(C)c1ccc(-c2ccc(S(=O)(=O)N(C(=O)C3CCCCC3)c3ccc4oc5c(c4c3)CCCC5)cc2)c(C(C)C)c1,DRVZNAYHAQAQPI-UHFFFAOYSA-N
-rxn:4:185648:227539,COc1cc(Cl)cc(OC)c1-c1ccc(S(=O)(=O)N(C(=O)C2CCCCC2)c2ccc3oc4c(c3c2)CCCC4)cc1,RCDMCJJLFUURLH-UHFFFAOYSA-N
-rxn:4:185901:223902,COC(=O)c1cc(C#N)cc(C(F)(F)F)c1-c1ccc(OCCN2CCC(C)CC2)c(F)c1,KHLHJQHQJDWUNA-UHFFFAOYSA-N
-rxn:4:185917:223969,COC(=O)c1cc(C#N)c(-c2cc(C(F)(F)F)ccc2N2CCC(C)CC2)c(C(F)(F)F)c1,XLPLWEWJOOHOMF-UHFFFAOYSA-N
-rxn:4:185989:223559,COC(=O)c1ccnc(C(=O)OC)c1-c1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)OC(C)(C)C,RPANWEJTIKMQFQ-UHFFFAOYSA-N
-rxn:4:186036:223536,CCOC(=O)c1cc(C(F)(F)F)cnc1-c1cc(F)c(F)c(N2CCN(C(=O)OC(C)(C)C)CC2)c1,AYBXAGHZXATVDT-UHFFFAOYSA-N
-rxn:4:186157:223598,COC(OC)c1ccc([N+](=O)[O-])c(-c2ccc(OCCN3CCC4(CC3)OCCO4)c(F)c2)c1,CUKIFJMAINBWPY-UHFFFAOYSA-N
-rxn:4:186235:223840,COc1ccc(-c2cc(F)c([N+](=O)[O-])c(OCC3CC3)c2)cc1S(=O)(=O)N1CCN(C)CC1,MCDCCOWRJOOITE-UHFFFAOYSA-N
-rxn:4:186750:223074,O=C(c1cc(OC(F)F)cc(-c2cccc(NS(=O)(=O)C3CC3)c2)c1)N1CCC(F)(F)C1,NPDHIRVXAPQBDA-UHFFFAOYSA-N
-rxn:4:186764:223640,CCOC12C(=O)c3cc(F)cc(-c4ccccc4SCCN4CCCC4)c3C(=O)C1C2(C)C,OFDAATRZOPWETL-UHFFFAOYSA-N
-rxn:4:186796:222896,CC(C)(C)OC(=O)NCc1ccc(-c2cc(CN3CCCC3)ccc2OC(F)(F)F)s1,PHFWWVHNWNRGLB-UHFFFAOYSA-N
-rxn:4:186922:226121,CCc1cc(-c2ccc(S(=O)(=O)N3CCOCC3)c(OC(F)(F)F)c2)ccc1OC(C)C,LWXCVJCDNRJOBT-UHFFFAOYSA-N
-rxn:4:187026:226844,O=C1CCN(S(=O)(=O)c2cc(-c3ccnc(C(=O)C(F)(F)F)c3)ccc2OC(F)(F)F)CC1,XKYYKQPUYBFSKH-UHFFFAOYSA-N
-rxn:4:187027:226844,O=C(c1cc(OC(F)(F)F)cc(-c2ccnc(C(=O)C(F)(F)F)c2)c1)N1CCC(F)(F)CC1,WYAHWUHIXKFOFO-UHFFFAOYSA-N
-rxn:4:187061:222693,Cc1ccc(OCC(=O)N2CCOCC2)c(-c2ccc(S(=O)(=O)NC3CCCCC3)cc2)c1,SVJMEIRGGRHLRB-UHFFFAOYSA-N
-rxn:4:187064:223681,CCOc1cc(S(=O)(=O)N2CCCC2)ccc1-c1cc2cc([N+](=O)[O-])ccc2n1C(=O)OC(C)(C)C,MCOZMYVMSSSLHQ-UHFFFAOYSA-N
-rxn:4:187072:223809,CCOc1cc(C(=O)N2CCOCC2)ccc1-c1cc(N2CCOCC2)cc(N2CCOCC2)c1,HOGZKKOUCXGJHH-UHFFFAOYSA-N
-rxn:4:187078:224323,COC(=O)c1cc(CN2CCOCC2)cc(-c2cc(C)c(S(=O)(=O)N3CCCC3)c(C)c2)c1,MQYYCZGBRLFYPQ-UHFFFAOYSA-N
-rxn:4:187089:224796,COc1cc(-c2cncc(S(=O)(=O)OCC(C)(C)C)c2)cc(OC)c1C(=O)N1CCC(F)(F)C1,ZUMXEVSRVHUQGW-UHFFFAOYSA-N
-rxn:4:187091:223179,CONC(=O)c1cc(-c2ccc(C(=O)C3CCN(C(=O)C(F)(F)F)CC3)cc2)ccc1F,BXZSCPBKXPZIJX-UHFFFAOYSA-N
-rxn:4:187093:226844,O=C(c1cc(-c2ccc(S(=O)(=O)N3CCCCC3)c(OC(F)(F)F)c2)ccn1)C(F)(F)F,HSBLUALVAWBYEN-UHFFFAOYSA-N
-rxn:4:187095:223179,CONC(=O)c1cc(-c2cc(OC(F)(F)F)cc(C(=O)N3CCOC(C)C3)c2)ccc1F,UYVGJIQNJOFWHC-UHFFFAOYSA-N
-rxn:4:187104:222545,Cc1ccc(-c2ccc(C(C)(C)NC(=O)OC(C)(C)C)cc2)cc1N(C)C(=O)OC(C)(C)C,YCYBCTVJJYAVPF-UHFFFAOYSA-N
-rxn:4:187122:222845,CCOc1cc(S(=O)(=O)N2CCOCC2)ccc1-c1ccc(C(C)N2CCNCC2)cc1,GJLTYZBDKAKBAC-UHFFFAOYSA-N
-rxn:4:187132:224100,COC(=O)c1cc(C(=O)N2CCCCC2)cc(-c2ccccc2OCCN2CCC(C)CC2)c1,HHYNYEDNHONVIP-UHFFFAOYSA-N
-rxn:4:187142:226844,CCN1C(=O)C(=Cc2cc(OC)c(OC)cc2-c2ccnc(C(=O)C(F)(F)F)c2)SC1=S,WWJTXSPESHWFOZ-UHFFFAOYSA-N
-rxn:4:187148:222919,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc(CC(=O)N3CCCC(C(F)(F)F)C3)cc2F)cc1,ZJKNGUHKLBXYKX-UHFFFAOYSA-N
-rxn:4:187153:226844,O=C(CS(=O)(=O)c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1)N1CCCC(F)(F)C1,GBKGANDFDYADSI-UHFFFAOYSA-N
-rxn:4:187154:226844,O=C(CS(=O)(=O)c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1)N1CCC(F)(F)CC1,KTRMKVCTXIMLNF-UHFFFAOYSA-N
-rxn:4:187176:222655,Cc1cc(-c2ccc(C(=O)NC3CCCCC3)c(Cl)c2)ccc1OCC(=O)N1CCCCC1,LHWLWGMTYQDOOC-UHFFFAOYSA-N
-rxn:4:187189:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2ccc(C3CN(C(=O)OC(C)(C)C)C3)cc2)cc1,RHACFWVMHLUEDS-UHFFFAOYSA-N
-rxn:4:187204:222912,CC(C)CNS(=O)(=O)c1ccc(-c2ccc(C3CN(C(=O)OC(C)(C)C)C3)c(Cl)c2)cc1,VVLPPTIHDGHNNM-UHFFFAOYSA-N
-rxn:4:187225:222912,CC(C)CNS(=O)(=O)c1ccc(-c2ccc(C(=O)N3CCC(C)CC3)cc2OC(F)F)cc1,PEKDKJGFOQKUOX-UHFFFAOYSA-N
-rxn:4:187226:224753,Cc1ccc(S(=O)(=O)N2CCCC2)cc1-c1ccc(N(C(=O)C(C)C)C2C=CS(=O)(=O)C2)cc1,AQCAPXFCGZPKNT-UHFFFAOYSA-N
-rxn:4:187227:225928,Cc1ccc(-c2ccc(Cl)c(CCN3CCC(C(F)(F)F)CC3)c2)cc1S(=O)(=O)N(C)C,WHYZHEPXLRABIB-UHFFFAOYSA-N
-rxn:4:187243:224834,CN(C)S(=O)(=O)n1cc(-c2ccc(F)cc2CCN2CCC(C(F)(F)F)CC2)c(C(F)(F)F)n1,LDFWUUJZGRKYFV-UHFFFAOYSA-N
-rxn:4:187265:226844,COC1CCN(C(=O)c2c(-c3ccnc(C(=O)C(F)(F)F)c3)cccc2C(F)(F)F)CC1,OWNLGCGPTFLYME-UHFFFAOYSA-N
-rxn:4:187267:223279,COc1c(Cl)cc(C(=O)N2CCC(C(F)(F)F)CC2)cc1-c1cnc(C2CCCN2)nc1,KYYNJDBBSOEMND-UHFFFAOYSA-N
-rxn:4:187270:223279,FC(F)(F)c1ccc(-c2cnc(C3CCCN3)nc2)c(CN2CCCC(C(F)(F)F)C2)c1,UOUIEPCCUCNGAW-UHFFFAOYSA-N
-rxn:4:187271:223279,FC(F)(F)c1ccc(-c2cnc(C3CCCN3)nc2)c(CN2CCC(C(F)(F)F)CC2)c1,KSNYADCJAVSMGC-UHFFFAOYSA-N
-rxn:4:187271:226844,O=C(c1cc(-c2ccc(C(F)(F)F)cc2CN2CCC(C(F)(F)F)CC2)ccn1)C(F)(F)F,DKLUMIWHWNLBEZ-UHFFFAOYSA-N
-rxn:4:187276:226844,O=C(c1cc(-c2cc(C(F)(F)F)cc(S(=O)(=O)N3CCC(C(F)(F)F)CC3)c2)ccn1)C(F)(F)F,PHXYRYHIKMSSMK-UHFFFAOYSA-N
-rxn:4:187285:222636,Cc1cc(C(=O)N(C(C)C)C(C)C)ccc1-c1ccc([C@@H](C)NC(=O)OC(C)(C)C)cc1,IHPAUIYGNGJIDG-HXUWFJFHSA-N
-rxn:4:187295:222539,Cc1ccc(C(=O)N(C(C)C)C(C)C)c(-c2ccc3c(c2)CC(NC(=O)OC(C)(C)C)C3)c1,XLRKRDMMHQLMLI-UHFFFAOYSA-N
-rxn:4:187302:222621,CC(C)Cc1cc(-c2ccc(OCCN3CCC(C)CC3)c(F)c2)cc(C2CCCNC2)n1,UUASUWQKXVJBLQ-UHFFFAOYSA-N
-rxn:4:187313:224377,CCOc1ccc(-c2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)cc1S(=O)(=O)N1CCCCC1,ASUWZBNUMLEPED-UHFFFAOYSA-N
-rxn:4:187335:223159,CCNC(=O)c1ccc(-c2cc(OC)c(C(=O)N3CCC(F)(F)CC3)c(OC)c2)cc1Cl,MGXRKDYQYZVPGX-UHFFFAOYSA-N
-rxn:4:187335:223179,CONC(=O)c1cc(-c2cc(OC)c(C(=O)N3CCC(F)(F)CC3)c(OC)c2)ccc1F,FIYGNCFWULRCFS-UHFFFAOYSA-N
-rxn:4:187336:226844,COc1cc(-c2ccnc(C(=O)C(F)(F)F)c2)cc(OC)c1C(=O)N1CCCC(F)(F)C1,ILXJRAZWHJQSFE-UHFFFAOYSA-N
-rxn:4:187389:225191,Cc1cc(CC(=O)N2CCCC(C(F)(F)F)C2)ccc1-c1cnc(OC2CCCCC2)cc1F,UDOCZMYEHYOSBD-UHFFFAOYSA-N
-rxn:4:187389:226844,Cc1cc(CC(=O)N2CCCC(C(F)(F)F)C2)ccc1-c1ccnc(C(=O)C(F)(F)F)c1,QWUOEHVMOFYQEX-UHFFFAOYSA-N
-rxn:4:187415:222919,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc(C3CCN(C(=O)OC(C)(C)C)CC3)o2)cc1,OROLZAMBYZTMLR-UHFFFAOYSA-N
-rxn:4:187416:222897,CCCCNS(=O)(=O)c1cccc(-c2ccccc2C2CCCN2C(=O)OC(C)(C)C)c1,QLKZLMBUOJIMKM-UHFFFAOYSA-N
-rxn:4:187419:222897,CCCCNS(=O)(=O)c1cccc(-c2ccc(C3CN(C(=O)OC(C)(C)C)C3)c(C)c2)c1,GLVAIZYSGKHCPR-UHFFFAOYSA-N
-rxn:4:187419:224970,Cc1cc(-c2ccc(S[Si](C)(C)C(C)(C)C)cc2)ccc1C1CN(C(=O)OC(C)(C)C)C1,VKBAKMQIAWCACL-UHFFFAOYSA-N
-rxn:4:187443:225372,CC1CCCC(C)N1C(=O)COc1ccc(-c2cc(F)c(OCC(F)(F)F)c(F)c2)cc1Cl,TVQJSVBSZRPGEC-UHFFFAOYSA-N
-rxn:4:187447:223180,CONC(=O)c1ccc(-c2ccccc2CCC(=O)N2CCC3(CC2)CC3(F)F)cc1F,BNOUNRAMYVSQAP-UHFFFAOYSA-N
-rxn:4:187485:224247,CCOc1cc(S(=O)(=O)N2CCCC(C)C2)ccc1-c1ccc(C(=O)N2CCC(C)CC2)cc1F,CVWQVPOXIKNWFA-UHFFFAOYSA-N
-rxn:4:187505:223179,CONC(=O)c1cc(-c2ccc(C3CN(C(=O)OC(C)(C)C)CCO3)c(Cl)c2)ccc1F,YCUCJFFQJAPTLM-UHFFFAOYSA-N
-rxn:4:187505:226016,CC(C)(C)OC(=O)N1CCOC(c2ccc(-c3ccc(OCC(F)(F)F)cc3Cl)cc2Cl)C1,PRVXDVWJEWEOQC-UHFFFAOYSA-N
-rxn:4:187507:226844,CC(C)(C)OC(=O)N1CCOC(c2ccc(F)c(-c3ccnc(C(=O)C(F)(F)F)c3)c2)C1,UFHBBQVUVYDSRP-UHFFFAOYSA-N
-rxn:4:187524:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3ccc(C(=O)c4ccc(CN5CCSCC5)cc4)cc3F)cc2)CC1,HGHBTZJQIHHTNV-DUYHBEBVSA-N
-rxn:4:187525:224337,O=C(c1ccc(CN2CCSCC2)cc1)c1ccc(-c2cnc(C(F)(F)F)c(C3CCCCC3)c2)cc1F,VCEXCGQLXPBTFT-UHFFFAOYSA-N
-rxn:4:187539:224132,CN(C(=O)c1ccccc1-c1ccc(CN([Si](C)(C)C)[Si](C)(C)C)cc1)C1CCCCC1,BQELHVSOSQIHQX-UHFFFAOYSA-N
-rxn:4:187540:224174,CCN(C(=O)OC(C)(C)C)c1ccc(-c2cc(CN(C)C(C)C)cc(C(C)(C)C)c2)cc1,CXFVOMLRVMWYSU-UHFFFAOYSA-N
-rxn:4:187542:224663,COc1cc(-c2ccc(CN3CCN(C)CC3)c(F)c2)cc(OC)c1CN1CCC(C)CC1,UVWDVTULPRJNSD-UHFFFAOYSA-N
-rxn:4:187542:225168,COc1cc(-c2ccc(CN3CCOCC3)c(F)c2)cc(OC)c1CN1CCC(C)CC1,YXOPJBQECHCXBI-UHFFFAOYSA-N
-rxn:4:187543:224056,CCC[C@H]1CC[C@H](c2ccc(-c3cc(OC)c(CN4CCCC(C)C4)c(OC)c3)c(F)c2)CC1,HZRUOOLYGCTRDB-FMWDMEFWSA-N
-rxn:4:187553:223179,CCOc1cc(-c2ccc(F)c(C(=O)NOC)c2)ccc1S(=O)(=O)N1CC(C)OC(C)C1,SNHDCPGFPIRWMZ-UHFFFAOYSA-N
-rxn:4:187554:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2cccc(C(=O)N3CCC(S(=O)(=O)C(C)(C)C)C3)c2)cc1,FRWNBZAQDXMGLT-UHFFFAOYSA-N
-rxn:4:187554:222974,CC(C)(C)NC(=O)c1ccc(-c2cccc(C(=O)N3CCC(S(=O)(=O)C(C)(C)C)C3)c2)cc1,JFBYQQYCVVZZPA-UHFFFAOYSA-N
-rxn:4:187554:223179,CONC(=O)c1cc(-c2cccc(C(=O)N3CCC(S(=O)(=O)C(C)(C)C)C3)c2)ccc1F,IUGKVRMWOKHSHW-UHFFFAOYSA-N
-rxn:4:187554:224168,CCN(C(=O)OC(C)(C)C)c1cccc(-c2cccc(C(=O)N3CCC(S(=O)(=O)C(C)(C)C)C3)c2)c1,XMBIFQLNPBHFPB-UHFFFAOYSA-N
-rxn:4:187554:226844,CC(C)(C)S(=O)(=O)C1CCN(C(=O)c2cccc(-c3ccnc(C(=O)C(F)(F)F)c3)c2)C1,USYYXUXHDIWYLQ-UHFFFAOYSA-N
-rxn:4:187555:223179,CONC(=O)c1cc(-c2ccccc2CCC(=O)N2CCC3(CC2)OCCS3)ccc1F,VXHSJSATOQJIJM-UHFFFAOYSA-N
-rxn:4:187560:223179,CONC(=O)c1cc(-c2ccc(C3CCCN(C(=O)OC(C)(C)C)C3=O)cc2)ccc1F,SKXVEMQXGDFWIR-UHFFFAOYSA-N
-rxn:4:187560:226844,CC(C)(C)OC(=O)N1CCCC(c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2)C1=O,KMSSDCOLJPRYQL-UHFFFAOYSA-N
-rxn:4:187561:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2ccc(Cl)c(C(=O)N3CCC(S(=O)(=O)C(C)(C)C)C3)c2)cc1,LEMFSHCFUDXUTB-UHFFFAOYSA-N
-rxn:4:187574:222918,CC(C)(C)NS(=O)(=O)c1cccc(-c2ccccc2C2CCN(C(=O)OC(C)(C)C)CC2)c1,VZPVXYRGBXIDOL-UHFFFAOYSA-N
-rxn:4:187581:226844,CC1CN(C(=O)OC(C)(C)C)CCC1c1cc(-c2ccnc(C(=O)C(F)(F)F)c2)co1,FHTSYRDNXQLLSO-UHFFFAOYSA-N
-rxn:4:187582:226844,CC(C)(C)OC(=O)N1CCC(c2cc(Cl)cc(-c3ccnc(C(=O)C(F)(F)F)c3)c2)CC1,KMEHIYXGMVMJCT-UHFFFAOYSA-N
-rxn:4:187584:226844,CC(C)(C)OC(=O)N1CCCC(c2cc(Cl)ccc2-c2ccnc(C(=O)C(F)(F)F)c2)C1,FYLOCNHNHWDXBB-UHFFFAOYSA-N
-rxn:4:187585:222922,CC(C)(C)NS(=O)(=O)c1ccccc1-c1cc(Cl)cc(C2CCCN(C(=O)OC(C)(C)C)C2)c1,RJWFVCUGQHRXDY-UHFFFAOYSA-N
-rxn:4:187585:223078,CCNS(=O)(=O)c1ccc(-c2cc(Cl)cc(C3CCCN(C(=O)OC(C)(C)C)C3)c2)c(C)c1,MITCKNZLLRDQBC-UHFFFAOYSA-N
-rxn:4:187585:226844,CC(C)(C)OC(=O)N1CCCC(c2cc(Cl)cc(-c3ccnc(C(=O)C(F)(F)F)c3)c2)C1,APISLVLERRHUSX-UHFFFAOYSA-N
-rxn:4:187586:226844,CC(C)(C)OC(=O)N1CCCC(c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2Cl)C1,OSFOHMLWSJTTFX-UHFFFAOYSA-N
-rxn:4:187589:224171,CC(C)(C)OC(=O)N1CCCC(c2ccc(F)c(-c3ccc(OCCCN4CCCC4)c(F)c3)c2)C1,XTVDXWZRRSDDOF-UHFFFAOYSA-N
-rxn:4:187596:226844,CC(C)(C)OC(=O)N1CCC(c2cc(-c3ccnc(C(=O)C(F)(F)F)c3)ccc2F)CC1,LJGPUFIOBJYXMR-UHFFFAOYSA-N
-rxn:4:187597:223179,CONC(=O)c1cc(-c2cccc(C(=O)N3CC(S(=O)(=O)C4CCCCC4)C3)c2)ccc1F,OVJMJWBGVRJTTQ-UHFFFAOYSA-N
-rxn:4:187597:226844,O=C(c1cccc(-c2ccnc(C(=O)C(F)(F)F)c2)c1)N1CC(S(=O)(=O)C2CCCCC2)C1,BJNPUNFGIJXRAY-UHFFFAOYSA-N
-rxn:4:187626:226844,CCOc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1S(=O)(=O)N1CC(C)CC(C)C1,VWAZEASCXDATLY-UHFFFAOYSA-N
-rxn:4:187629:225536,COc1cc(C)c(-c2ccc(OCC(C)C)c(C#N)c2)cc1S(=O)(=O)N(C)C1CCCCC1,DARRQBTYIIMOCA-UHFFFAOYSA-N
-rxn:4:187629:226844,COc1cc(C)c(-c2ccnc(C(=O)C(F)(F)F)c2)cc1S(=O)(=O)N(C)C1CCCCC1,XRJLSJBVZLQYSF-UHFFFAOYSA-N
-rxn:4:187631:223179,CONC(=O)c1cc(-c2ccc(C=C3CCN(C(=O)OC(C)(C)C)CC3)cc2)ccc1F,KXSOHROUFZDRII-UHFFFAOYSA-N
-rxn:4:187631:226844,CC(C)(C)OC(=O)N1CCC(=Cc2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2)CC1,PCBIYBBFPIEYMC-UHFFFAOYSA-N
-rxn:4:187634:226844,O=C(C1CCCCC1)N(c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1)C1C=CS(=O)(=O)C1,YCISTMMJYLFRPJ-UHFFFAOYSA-N
-rxn:4:187635:223811,O=S(=O)(c1ccc(-c2ccc(CN3CCC4(CC3)OCCO4)c(Cl)c2)cc1)N1CCC(Cc2ccccc2)CC1,BWVKQLQTOCCYGG-UHFFFAOYSA-N
-rxn:4:187648:226844,CC(C)(C)OC(=O)N1CCCC(C)(c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2)C1=O,QHNURJFOVSOUJW-UHFFFAOYSA-N
-rxn:4:187657:225763,CCN(C1CCCCC1)S(=O)(=O)c1cc(C)c(C)cc1-c1cc(C(=O)OC)c(OC)cc1C,QZVHXJLUYFVAJF-UHFFFAOYSA-N
-rxn:4:187659:222912,CC(C)CNS(=O)(=O)c1ccc(-c2ccc(C3(C)CCN(C(=O)OC(C)(C)C)CC3)cc2)cc1,UCDIWSSBZOPDIH-UHFFFAOYSA-N
-rxn:4:187662:223556,Cc1cc(-c2ccc3c(c2)c2ccccc2n3C(=O)OC(C)(C)C)cc(C2CCN(C(=O)OC(C)(C)C)CC2)c1,OKNBAKPZUMXKTC-UHFFFAOYSA-N
-rxn:4:187662:224845,Cc1cc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)cc(C2CCN(C(=O)OC(C)(C)C)CC2)c1,YSVJLMPDOHWVEY-UHFFFAOYSA-N
-rxn:4:187663:226844,Cc1cc(-c2ccnc(C(=O)C(F)(F)F)c2)ccc1C1CCCN(C(=O)OC(C)(C)C)C1,NIPAJSGWFPURPL-UHFFFAOYSA-N
-rxn:4:187664:223179,CONC(=O)c1cc(-c2ccc(C3CCN(C(=O)OC(C)(C)C)CC3)c(C)c2)ccc1F,IPWNYYYVKLJTHX-UHFFFAOYSA-N
-rxn:4:187664:226844,Cc1cc(-c2ccnc(C(=O)C(F)(F)F)c2)ccc1C1CCN(C(=O)OC(C)(C)C)CC1,SPJWRHHWSXPEMU-UHFFFAOYSA-N
-rxn:4:187665:226844,CC1CN(C(=O)OC(C)(C)C)CCC1c1cccc(-c2ccnc(C(=O)C(F)(F)F)c2)c1,XFCYWBFDSHZSKI-UHFFFAOYSA-N
-rxn:4:187667:224845,Cc1c(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)cccc1C1CCCN(C(=O)OC(C)(C)C)C1,ZCQWVCAUUQLXAE-UHFFFAOYSA-N
-rxn:4:187668:224847,CC1CN(C(=O)OC(C)(C)C)CCC1c1ccc(-c2cc(C(C)(C)C)ccc2C(C)(C)C)cc1,QBOZJZDTMDFJEE-UHFFFAOYSA-N
-rxn:4:187671:226844,CC(C)(C)c1cc(CN2CCC(C(F)(F)F)CC2)cc(-c2ccnc(C(=O)C(F)(F)F)c2)c1,QXZFMLXDWJTLJE-UHFFFAOYSA-N
-rxn:4:187672:223181,CCNS(=O)(=O)c1cccc(-c2cc(CN3CCCC(C(F)(F)F)C3)cc(C(C)(C)C)c2)c1,TXFCJSDVDYLJDD-UHFFFAOYSA-N
-rxn:4:187677:223279,CC(C)(C)OC(=O)N1CCC2(CC1)CC2c1ccc(-c2cnc(C3CCCN3)nc2)cc1,PRZUYTLEQVCFRR-UHFFFAOYSA-N
-rxn:4:187679:223179,CONC(=O)c1cc(-c2ccc(C(=O)N(C3CCCCC3)C3CCCCC3)cc2)ccc1F,UYQPULKCUBMRPV-UHFFFAOYSA-N
-rxn:4:187679:223279,O=C(c1ccc(-c2cnc(C3CCCN3)nc2)cc1)N(C1CCCCC1)C1CCCCC1,VXRAMRHYJNLUOL-UHFFFAOYSA-N
-rxn:4:187685:224327,CC1CCCN(S(=O)(=O)c2cccc(-c3ccc(C(=O)c4cccc(CN5CCC6(CC5)OCCO6)c4)cc3)c2)C1,RQSBEBURZVFCJI-UHFFFAOYSA-N
-rxn:4:187693:226844,O=C(c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1F)c1ccccc1CN1CCC2(CC1)OCCO2,BICJDCFYHGLNAC-UHFFFAOYSA-N
-rxn:4:187847:224485,CC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2cc3c(cc2C(F)F)N(C(=O)OC(C)(C)C)CC3)c1,AURKMFJVFNIHAY-UHFFFAOYSA-N
-rxn:4:187916:224587,COc1cc(OC)c(C23CCN(C)CC2O3)c(OC)c1-c1ccc(CN2CCC(C)CC2)c(F)c1,RYCYGUHBORQHGD-UHFFFAOYSA-N
-rxn:4:187916:226191,COc1cc(OC)c(C23CCN(C)CC2O3)c(OC)c1-c1cc(C2CCCC2)ccc1F,HMAZCMQEWWREQQ-UHFFFAOYSA-N
-rxn:4:187917:226844,COc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)c(C(=O)N2C3CCC2CC(SC)C3)c1,LBZTZUHNAYGBQX-UHFFFAOYSA-N
-rxn:4:187918:225004,COc1cc(-c2ccc(CN3CCC(=O)CC3)cc2)cc2c1OCCN(C(=O)OC(C)(C)C)C2,IHUKZCYUWNUYTD-UHFFFAOYSA-N
-rxn:4:187918:226844,COc1cc(-c2ccnc(C(=O)C(F)(F)F)c2)cc2c1OCCN(C(=O)OC(C)(C)C)C2,FXQZIYQBMMKBHQ-UHFFFAOYSA-N
-rxn:4:187943:226844,COc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)c2c1CCN(C(=O)OC(C)(C)C)CC2,KWBIHJRTRRVHMV-UHFFFAOYSA-N
-rxn:4:187944:226844,O=C(c1cc(-c2ccc3c(c2)OCCCC3OCCN2CCOCC2)ccn1)C(F)(F)F,ASHKCPCDDJZPJG-UHFFFAOYSA-N
-rxn:4:187956:226844,O=C1C(=Cc2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2)Oc2cc(OC(=O)N3CCOCC3)ccc21,OYCDKRSJQXXTDD-UHFFFAOYSA-N
-rxn:4:187957:223179,CONC(=O)c1cc(-c2cccc(C=C3Oc4cc(OC(=O)N5CCOCC5)ccc4C3=O)c2)ccc1F,YAXWBODPLLOOAB-UHFFFAOYSA-N
-rxn:4:187968:223635,CC(C)[Si](C(C)C)(C(C)C)n1ccc2cc(-c3ccc(C4CCN(C(=O)OC(C)(C)C)CC4)cc3)ccc21,UHTIGLMEINULOT-UHFFFAOYSA-N
-rxn:4:187972:225267,CCCOc1ccc(-c2ccccc2CCC(=O)N2CCC3(CC2)OC(=O)c2ccccc23)c(C(F)(F)F)c1,DQMOJTWECZULTI-UHFFFAOYSA-N
-rxn:4:187985:223179,CONC(=O)c1cc(-c2ccc(C34CCOCC3N(C(=O)OC(C)(C)C)CC4)cc2)ccc1F,LGZXZZFDQSGCHE-UHFFFAOYSA-N
-rxn:4:187996:228442,COc1cc(Cl)c(F)cc1-c1ccc2c(c1)OC(C1CCN(C(=O)OC(C)(C)C)CC1)CC2=O,CAPFPDZJXYFJET-UHFFFAOYSA-N
-rxn:4:188006:222817,COc1ccc(S(=O)(=O)NC2CC2)cc1-c1cc(C#N)ccc1OCC12CC3CC(CC(C3)C1)C2,VZGMZCKQRDMSOW-UHFFFAOYSA-N
-rxn:4:188013:223279,O=C(Oc1ccc(N2C(=O)C3C4CCC(C4)C3C2=O)cc1)c1ccc(-c2cnc(C3CCCN3)nc2)cc1,NXKBDSISKXELAY-UHFFFAOYSA-N
-rxn:4:188027:223279,CC(C)(C)c1ccc(C2c3c(oc4ccc(-c5cnc(C6CCCN6)nc5)cc4c3=O)C(=O)N2CC2CCCO2)cc1,NXWAZGVRHRJMGQ-UHFFFAOYSA-N
-rxn:4:188244:223591,CC(C)(C)OC(=O)N1CCN(c2ccc(F)c(-c3cc(CC#N)ccc3C(F)(F)F)c2)CC1,NBXJHLCLWCJKLO-UHFFFAOYSA-N
-rxn:4:188998:223811,CC(C)Oc1c(F)cc([N+](=O)[O-])cc1-c1ccc(CN2CCC3(CC2)OCCO3)c(Cl)c1,PXLLPYJUPILDAK-UHFFFAOYSA-N
-rxn:4:189004:223695,N#Cc1c(F)cc(OC2CCC2)cc1-c1cccc(S(=O)(=O)N2CCC3(CC2)OCCO3)c1,IMVWICVKRRVNNU-UHFFFAOYSA-N
-rxn:4:189353:223520,COC(=O)c1c(C)cc(-c2ccc(C(C)N3CCN(C(=O)OC(C)(C)C)CC3)cc2)c([N+](=O)[O-])c1C,FZBWDFYXYQGSSW-UHFFFAOYSA-N
-rxn:4:189501:223811,O=C1CCCN1c1cc(OC(F)(F)F)ccc1-c1ccc(CN2CCC3(CC2)OCCO3)c(Cl)c1,TVYTYUUKORZHHG-UHFFFAOYSA-N
-rxn:4:189837:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2coc(CN3CCC(C(F)(F)F)CC3)c2)cc1,WXIRWDRTWFEIBO-UHFFFAOYSA-N
-rxn:4:189888:223179,CONC(=O)c1cc(-c2ccc(S(=O)(=O)N3CCC(F)(F)C3)c(C(F)(F)F)c2)ccc1F,UDFFEPKFSNAPJA-UHFFFAOYSA-N
-rxn:4:189951:224715,CCCCOc1cc(C(F)(F)F)ccc1-c1cc(OC(F)(F)F)cc(N2CCCCC2)c1,WPIZCMJUSLFRGD-UHFFFAOYSA-N
-rxn:4:189978:223635,CC(C)N(c1ccc(-c2ccc(C3CCN(C(=O)OC(C)(C)C)CC3)cc2)cc1)C(C)C,VHHIEXIRHTZHQT-UHFFFAOYSA-N
-rxn:4:189985:223889,CC(=NS(=O)C(C)(C)C)c1cccc(-c2cccc3c2CN(C(=O)OC(C)(C)C)CC3)c1,NMSJFYFDMKLPLT-UHFFFAOYSA-N
-rxn:4:190016:222442,COc1ccc(-c2ccc(S(=O)(=O)NC3CCCC3)c3ccccc23)cc1S(=O)(=O)N1CCOCC1,WFWCKOVEHJMKAO-UHFFFAOYSA-N
-rxn:4:190052:222634,O=C(c1cc(-c2ccc(OCCNC3CCCC3)c(F)c2)ccc1C(F)(F)F)N1CCCCC1,ABXXIWQHILBUBD-UHFFFAOYSA-N
-rxn:4:190072:223039,CC(C)NC(=O)c1cc(-c2ccc(Cl)c(C(=O)N3CCCCC3C(F)(F)F)c2)ccc1F,PTBSNVXRBIKOII-UHFFFAOYSA-N
-rxn:4:190076:226559,CC(C)(C)OC(=O)c1csc(-c2ccc(C(=O)N3CCC(C(F)(F)F)CC3)cc2F)c1,OFNZAMHIOXFPSE-UHFFFAOYSA-N
-rxn:4:190084:226844,O=C(c1c(-c2ccnc(C(=O)C(F)(F)F)c2)cccc1C(F)(F)F)N1CCCC(F)(F)C1,SQNDRFWNBRZBQK-UHFFFAOYSA-N
-rxn:4:190171:223179,CONC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2CC2C(=O)OC(C)(C)OC2=O)ccc1F,HBDVUMOFGNGNET-UHFFFAOYSA-N
-rxn:4:190171:226285,CC(C)COc1ccc(Cl)c(-c2ccc([N+](=O)[O-])cc2CC2C(=O)OC(C)(C)OC2=O)c1,CTIGKXHGHQWOKK-UHFFFAOYSA-N
-rxn:4:190174:223279,O=S(=O)(c1cc(-c2cnc(C3CCCN3)nc2)c(F)cc1F)N1CCCC(C(F)(F)F)C1,RRQWIQWBNAWMPE-UHFFFAOYSA-N
-rxn:4:190175:224593,CC1CCN(Cc2cc(-c3cc(S(=O)(=O)N4CCCCC4C(F)(F)F)c(F)cc3F)ccc2F)CC1,QWIADNCDIUMQQI-UHFFFAOYSA-N
-rxn:4:190178:226348,CC(C)(C)Oc1ccc(-c2ccc(S(=O)(=O)N3CCCC(F)(F)C3)c(C(F)(F)F)c2)c(Cl)c1,KSMHHQZIDGVNPI-UHFFFAOYSA-N
-rxn:4:190179:226844,O=C(c1cc(-c2ccc(S(=O)(=O)N3CCC(F)(F)CC3)c(C(F)(F)F)c2)ccn1)C(F)(F)F,KKHDSXXGOIIPEQ-UHFFFAOYSA-N
-rxn:4:190180:223179,CONC(=O)c1cc(-c2cc(C(F)(F)F)cc(S(=O)(=O)N3CCC(F)(F)CC3)c2)ccc1F,NPFWLJFXBLBQKC-UHFFFAOYSA-N
-rxn:4:190180:223279,O=S(=O)(c1cc(-c2cnc(C3CCCN3)nc2)cc(C(F)(F)F)c1)N1CCC(F)(F)CC1,ODGAXJHJXKWFEA-UHFFFAOYSA-N
-rxn:4:190180:226844,O=C(c1cc(-c2cc(C(F)(F)F)cc(S(=O)(=O)N3CCC(F)(F)CC3)c2)ccn1)C(F)(F)F,OVVMJVGWLCFUSB-UHFFFAOYSA-N
-rxn:4:190213:224323,COc1ccc(S(=O)(=O)N2CCCCC2)cc1-c1cc(C)c(S(=O)(=O)N2CCCC2)c(C)c1,IUWOWULLWRKTTH-UHFFFAOYSA-N
-rxn:4:190216:222603,COc1cc(-c2ccc(OC)c(S(=O)(=O)N3CCCCC3)c2)c(Cl)cc1NC(=O)OC(C)(C)C,DPXIXFZDVGRSIJ-UHFFFAOYSA-N
-rxn:4:190216:223652,COc1ccc(-c2cc3c(Cl)ccc(OC)c3n2C(=O)OC(C)(C)C)cc1S(=O)(=O)N1CCCCC1,OVXGFHOFYIIEIR-UHFFFAOYSA-N
-rxn:4:190223:224563,Cc1ccc(-c2cccc(C3(C(=O)N4CCOCC4)CC3)c2)c(O[Si](C)(C)C(C)(C)C)c1,XTTXOZGDHYGCOK-UHFFFAOYSA-N
-rxn:4:190294:223179,CONC(=O)c1cc(-c2cc(C)cc(C(=O)N3CCC(C(F)(F)F)CC3)c2F)ccc1F,NIHCWLZQTQFRSJ-UHFFFAOYSA-N
-rxn:4:190355:224842,CC1CCN(S(=O)(=O)c2cc(-c3ccc4c(c3)C(C)(C)CCC4(C)C)cc(C(F)(F)F)c2)CC1,RTKKVPYRRPLTRX-UHFFFAOYSA-N
-rxn:4:190357:223179,CONC(=O)c1cc(-c2ccc(C(=O)N3CCC4(CC3)CC4)cc2C(F)(F)F)ccc1F,KAHUKNLOWXFXTR-UHFFFAOYSA-N
-rxn:4:190433:223179,CONC(=O)c1cc(-c2cc(C)cc(S(=O)(=O)N3CCCC(C(C)(F)F)C3)c2)ccc1F,JVMLTXZYUNRPCA-UHFFFAOYSA-N
-rxn:4:190463:226844,COc1cc(S(=O)(=O)N2CC(C)OC(C)C2)c(C)cc1-c1ccnc(C(=O)C(F)(F)F)c1,ZFUGRXOWOQRIKX-UHFFFAOYSA-N
-rxn:4:190484:224845,CC(C)(C)c1cc(-c2cccc(C(=O)N3CCC(c4ccccc4Cl)S(=O)(=O)CC3)c2)cc(C(C)(C)C)c1,WENCZMYJANETPI-UHFFFAOYSA-N
-rxn:4:190497:223898,CC1CCCN(Cc2cc(-c3ccc(N(C(=O)OC(C)(C)C)C(C)C)cc3)cc(C(C)(C)C)c2)C1,HAVXZKJHHIHLQO-UHFFFAOYSA-N
-rxn:4:190697:223923,CCCCN1C(=O)C(=O)c2cc(-c3ccc(F)c(C(=O)N(C)C4CCCCC4)c3)ccc21,NWGCGKGPMFQOBX-UHFFFAOYSA-N
-rxn:4:190789:224179,COc1ccc(C(=O)N2CC3CC3C2)c(-c2ccc(OCCN3CCN(C)CC3)cc2)c1,SMEPRBAVKYMHLL-UHFFFAOYSA-N
-rxn:4:190976:222823,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc3c(c2)C(F)(F)CN(C(=O)OC(C)(C)C)C3)c(F)c1,QSZZIMJXOCLLOA-UHFFFAOYSA-N
-rxn:4:191027:224933,COC(=O)C1=CN(c2ccc(-c3ccc(OCCN4CCCC4)cc3)c(C)c2)c2cc(F)ccc2S1(=O)=O,FGILLCHRXZOWRN-UHFFFAOYSA-N
-rxn:4:191030:223846,Cc1cc(-c2ccc3c(c2)C(C)(C)N(C(=O)OC(C)(C)C)C3)cc(C2CC3CCC2(C)C3(C)C)c1,RSJBNIMZCAOAMD-UHFFFAOYSA-N
-rxn:4:191030:224668,CCN1CCN(c2cc(F)cc(-c3ccc4c(c3)C(C)(C)N(C(=O)OC(C)(C)C)C4)c2)CC1,QVKWROMBDNCMFL-UHFFFAOYSA-N
-rxn:4:191030:224796,CC(C)(C)COS(=O)(=O)c1cncc(-c2ccc3c(c2)C(C)(C)N(C(=O)OC(C)(C)C)C3)c1,UJJZFZMEABZGPZ-UHFFFAOYSA-N
-rxn:4:191031:224613,CN(C(=O)OC(C)(C)C)c1cccc(-c2ccc3c(c2)CCN(C(=O)OC(C)(C)C)CC3)c1,CFKFDIQGWAUEQM-UHFFFAOYSA-N
-rxn:4:191039:224722,CN(C(=O)OC(C)(C)C)c1cc(-c2ccc3c(c2)C(C)(C)CN3C(=O)OC(C)(C)C)ccn1,YGGSNXLEMKHRMQ-UHFFFAOYSA-N
-rxn:4:191041:226844,CS(=O)(=O)C1CC2CCC(C1)N2C(=O)c1cccc(-c2ccnc(C(=O)C(F)(F)F)c2)c1,KLIQQRJSLIFFLK-UHFFFAOYSA-N
-rxn:4:191043:223179,CONC(=O)c1cc(-c2ccc3c(c2)CN([C@H]2CC[C@H](C(=O)OC)CC2)C3=O)ccc1F,BETUKZILOPWJBG-PPUGGXLSSA-N
-rxn:4:191058:224730,COC(=O)C1CCN(C2CCc3cc(-c4cc(C(F)(F)F)ccc4OCC(C)C)ccc32)CC1,UYUQNHVGRVKIRQ-UHFFFAOYSA-N
-rxn:4:191058:225199,COC(=O)C1CCN(C2CCc3cc(-c4cc(F)c(OC5CCCC5)c(F)c4)ccc32)CC1,GIIMAIIIZOCNJK-UHFFFAOYSA-N
-rxn:4:191062:226330,CC(c1ccc(-c2ccccc2S(=O)(=O)N2C3CCC2CC(S(C)(=O)=O)C3)s1)N1CCCC1,WEJQOSAUIGSLLR-UHFFFAOYSA-N
-rxn:4:191063:223179,CONC(=O)c1cc(-c2ccc3c(c2)OC2(CC3=O)CN(C(=O)OC(C)(C)C)C2)ccc1F,DVGWQWBBCWCEDU-UHFFFAOYSA-N
-rxn:4:191063:226844,CC(C)(C)OC(=O)N1CC2(CC(=O)c3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3O2)C1,VDTLEQYONGRMKS-UHFFFAOYSA-N
-rxn:4:191073:226844,CC(C)(C)OC(=O)N1CCC2(C1)OCc1ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc12,ATJXMAXRTGDRJT-UHFFFAOYSA-N
-rxn:4:191075:224172,CN(Cc1cccc(-c2ccc([C@@]34CN(Cc5ccccc5)C[C@@H]3S(=O)(=O)C4)cc2)c1)C(=O)OC(C)(C)C,PZOKTDAVQBGYSW-IZEXYCQBSA-N
-rxn:4:191088:224485,CC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2ccc3c(c2)C(C)(C)CCN3C(=O)OC(C)(C)C)c1,NKLFVKFVIGNRCG-UHFFFAOYSA-N
-rxn:4:191091:224309,CC(C)(C)OC(=O)N1Cc2c(-c3c(Cl)ccc(O[Si](C)(C)C(C)(C)C)c3F)cccc2C(C)(C)C1,ZCUQXJIHPCXJDT-UHFFFAOYSA-N
-rxn:4:191094:226844,CC(C)(C)OC(=O)N1C(=O)C2(CCCC2)c2cc(-c3ccnc(C(=O)C(F)(F)F)c3)ccc21,CETCFVRAVYQDNG-UHFFFAOYSA-N
-rxn:4:191099:223279,CC(C)(C)OC(=O)N1CCC2(CC1)Oc1ccc(-c3cnc(C4CCCN4)nc3)cc1C2=O,FFHYKBSMMQFZEX-UHFFFAOYSA-N
-rxn:4:191099:223591,CC(C)(C)OC(=O)N1CCN(c2ccc(F)c(-c3ccc4c(c3)C(=O)C3(CCN(C(=O)OC(C)(C)C)CC3)O4)c2)CC1,FZXPIYAGVDFMPQ-UHFFFAOYSA-N
-rxn:4:191099:226844,CC(C)(C)OC(=O)N1CCC2(CC1)Oc1ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc1C2=O,VIJHCNUBLSKGJH-UHFFFAOYSA-N
-rxn:4:191100:226844,CC(C)(C)OC(=O)N1C(=O)C2(CCOCC2)c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc21,PJJLVQZJQPYHQI-UHFFFAOYSA-N
-rxn:4:191103:226844,CC(C)(C)OC(=O)N1CCC2(C=Cc3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc32)CC1,RCYHAYORCZLUKD-UHFFFAOYSA-N
-rxn:4:191104:226844,CC(C)(C)OC(=O)N1CCC2(CC1)COc1ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc12,YJCVKGNONCGSGZ-UHFFFAOYSA-N
-rxn:4:191105:224420,Cc1cc2c(cc1-c1cccc3c1C1(C=C3)CCN(C(=O)OC(C)(C)C)CC1)C(C)(C)CCC2(C)C,YYMKXUGMABBPAA-UHFFFAOYSA-N
-rxn:4:191106:222438,CC(C)(C)OC(=O)N1CC2(CCOCC2)c2cc(-c3cc(C(=O)Nc4cc([N+](=O)[O-])ccc4F)ccc3Cl)ccc21,WHKNHYOOPLSPAJ-UHFFFAOYSA-N
-rxn:4:191115:224766,CC(C)(C)OC(=O)N1CCC2(CC1)OCc1cc(-c3cc(N4CCCC4)cc(C(F)(F)F)c3)ccc1O2,XTICENRMMYBMBQ-UHFFFAOYSA-N
-rxn:4:191115:226844,CC(C)(C)OC(=O)N1CCC2(CC1)OCc1cc(-c3ccnc(C(=O)C(F)(F)F)c3)ccc1O2,BSQXFBPRXPYXPA-UHFFFAOYSA-N
-rxn:4:191117:223279,CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)c1cccc(-c3cnc(C4CCCN4)nc3)c12,JMJYBSOCICXLNI-UHFFFAOYSA-N
-rxn:4:191124:226844,CC(C)(C)OC(=O)N1CCC2(CCc3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc32)CC1,HVFZUMMHLZQSDC-UHFFFAOYSA-N
-rxn:4:191125:223279,CC(C)(C)OC(=O)N1CCC2(CCc3cc(-c4cnc(C5CCCN5)nc4)ccc32)CC1,LQSCVJWVJZDVEP-UHFFFAOYSA-N
-rxn:4:191129:223279,CC(C)(C)OC(=O)N1CCC2(CCc3cc(-c4cnc(C5CCCN5)nc4)ccc3O2)CC1,PAPFZQKUPQERCW-UHFFFAOYSA-N
-rxn:4:191136:226844,O=C1C2C(c3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3)OC3(C(=O)c4ccccc4C3=O)C2C(=O)N1c1cccc(C(F)(F)F)c1,ZEQHDDCWNCXBIO-UHFFFAOYSA-N
-rxn:4:191137:223279,COc1ccc(N2C(=O)C3C(c4ccccc4-c4cnc(C5CCCN5)nc4)OC4(C(=O)c5ccccc5C4=O)C3C2=O)cc1,UHYXTOWGDHOXMH-UHFFFAOYSA-N
-rxn:4:191138:226844,CCc1ccccc1N1C(=O)C2C(c3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3)OC3(C(=O)c4ccccc4C3=O)C2C1=O,NDPKWFMMIPUZLL-UHFFFAOYSA-N
-rxn:4:191204:223279,CN1C(=O)C(S(=O)(=O)c2ccc(C(C)(C)C)cc2)C2CC1(C)Oc1ccc(-c3cnc(C4CCCN4)nc3)cc12,XDDRGEWTSNHUFE-UHFFFAOYSA-N
-rxn:4:191206:223179,CONC(=O)c1cc(-c2cccc(C3C=C4c5cc(OC)c(OC)cc5CCN4C4=C3C(=O)CCC4)c2)ccc1F,CVIVDYLUWVHASA-UHFFFAOYSA-N
-rxn:4:191206:223279,COc1cc2c(cc1OC)C1=CC(c3cccc(-c4cnc(C5CCCN5)nc4)c3)C3=C(CCCC3=O)N1CC2,KKEFLRFJUNYHRB-UHFFFAOYSA-N
-rxn:4:191427:223574,CC(C)(C)OC(=O)N1CCN(Cc2cccc(-c3cc(C(F)(F)F)c(F)cc3C#N)c2)CC1,ZAKSZNSJRUREBS-UHFFFAOYSA-N
-rxn:4:191793:223520,COc1cc(-c2ccc(C(C)N3CCN(C(=O)OC(C)(C)C)CC3)cc2)c(F)cc1[N+](=O)[O-],VVOCFGYOUREDQI-UHFFFAOYSA-N
-rxn:4:193131:222817,COc1ccc(S(=O)(=O)NC2CC2)cc1-c1ccc(S(=O)(=O)N=C2C=CC(=O)C=C2)cc1,XOQDHWJTDVNHMU-UHFFFAOYSA-N
-rxn:4:193266:224283,CC(C)(C)Oc1ncc(-c2ccc(Cl)c(C(=O)N3CCSCC3)c2F)c(OC(C)(C)C)n1,LLTFKFISNBULRE-UHFFFAOYSA-N
-rxn:4:193292:223901,CC1CCN(CCOc2ccc(-c3ccc(N4CCCS4(=O)=O)cc3C(F)(F)F)cc2Cl)CC1,NEKSMGVJXVUSKN-UHFFFAOYSA-N
-rxn:4:193348:223712,COc1ccc(-c2cccc(F)c2CN2CCOCC2)cc1C12CC3CC(CC(C3)C1)C2,KOLLMPXXUHIZQA-UHFFFAOYSA-N
-rxn:4:193385:222393,O=C(N[C@H]1CC[C@H](O)CC1)c1cccc(-c2ccc(S(=O)(=O)N3CCOCC3)c(F)c2)c1,CABPKAXRLZKPHL-MXVIHJGJSA-N
-rxn:4:193387:222466,FC(F)(F)c1ccc(N2CCOCC2)c(-c2cc(C3CCCCC3)nc(C3CCNCC3)c2)c1,RGISSJVJHKMTFA-UHFFFAOYSA-N
-rxn:4:193414:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(C[N+]4([O-])CCOCC4)cc3)c(F)c2)CC1,SXDWTXHDMDBCMJ-HCGLCNNCSA-N
-rxn:4:193512:223958,CCN1CCN(C(=O)c2ccc(-c3ccc(N4CCCCC4=O)cc3C(F)(F)F)cc2F)CC1,UVFZLLNUCPDROP-UHFFFAOYSA-N
-rxn:4:193518:222598,CC1=CC(=O)C=CC1=NS(=O)(=O)c1ccc(-c2cc(C)c(S(=O)(=O)NC3CCCC3)c(C)c2)cc1,ZKEXMSWAOQBECT-UHFFFAOYSA-N
-rxn:4:193518:222817,COc1ccc(S(=O)(=O)NC2CC2)cc1-c1ccc(S(=O)(=O)N=C2C=CC(=O)C=C2C)cc1,NWTWJQCDZMOXOK-UHFFFAOYSA-N
-rxn:4:193518:224968,CC1=CC(=O)C=CC1=NS(=O)(=O)c1ccc(-c2cc(C)ccc2OCC2CCCO2)cc1,CALKGLHFHJDTQJ-UHFFFAOYSA-N
-rxn:4:193608:224360,COC(=O)c1ccc(-c2cc(F)cc(CN3CCC(F)(F)CC3)c2)n1C(=O)OC(C)(C)C,ZEIHLHAUVSBFMS-UHFFFAOYSA-N
-rxn:4:193628:222711,COc1ccc(-c2ccc(C(=O)N3CCC4(CC3)CC4(F)F)o2)cc1S(=O)(=O)NC(C)(C)C,XXBWBQKACXYUTA-UHFFFAOYSA-N
-rxn:4:193644:223867,CC1CCN(CCCOc2cccc(-c3ccc(C(F)(F)F)c(N4CCCC(F)(F)C4)c3)c2)CC1,PLMHRFTXDUKQLL-UHFFFAOYSA-N
-rxn:4:193672:223689,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(N4CCCC4)cc3C3CC3)ccc2OC)CC1,XTSXHJMIEZQVHY-UHFFFAOYSA-N
-rxn:4:193697:224392,Cc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1ccc(C2C=CN(S(C)(=O)=O)CC2)cc1,MVTPUGMBFFAXIL-UHFFFAOYSA-N
-rxn:4:193733:223697,CC(C)(C)[C@H]1COC(c2ccc(-c3ccc(S(=O)(=O)N4CCCCC4)cc3C(F)(F)F)cc2)=N1,TWHJJLGJDXGFEN-JOCHJYFZSA-N
-rxn:4:193743:222389,c1cc(C2CC2)c(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)cc1N1CCOCC1,DKWVOGRFFSBOAD-UHFFFAOYSA-N
-rxn:4:193814:223490,Cc1ccc(-c2ccc(CN3CCC(C)CC3)cc2F)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,JJZZQQSACMZURR-UHFFFAOYSA-N
-rxn:4:193831:222621,Cc1ccc(-c2cc(CC(C)C)nc(C3CCCNC3)c2)cc1S(=O)(=O)N1CCCCC1,VEPQILVBXGSOEU-UHFFFAOYSA-N
-rxn:4:193837:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(S(=O)(=O)N2CCCCC2)cc1C,ABILEGYXFYMXHP-UHFFFAOYSA-N
-rxn:4:193841:224146,Cc1cc(O[Si](C)(C)C(C)(C)C)cc(C)c1-c1ccccc1S(=O)(=O)N1CCC(C)CC1,OKIOFENFLDEGCH-UHFFFAOYSA-N
-rxn:4:193875:223992,Cc1ccc(-c2cc(N3CCC(C)CC3)cc(C(F)(F)F)c2)cc1S(=O)(=O)N1CCN(C)CC1,IQCMZCJOTKMQMF-UHFFFAOYSA-N
-rxn:4:193879:224608,COC(=O)c1cc(OCC2CC2)cc(-c2cc(C(=O)N3CCC4(CC3)CC4)ccc2F)c1,WIWCCDDGMSPJGC-UHFFFAOYSA-N
-rxn:4:193880:223911,CCOC(=O)C1(c2ccc(-c3ccc(C(=O)N4CCC5(CC4)CC5)cc3F)cc2)CCOCC1,LTQGVQBSIRFZGN-UHFFFAOYSA-N
-rxn:4:193882:225381,CC1CCN(S(=O)(=O)c2cc(-c3ccc(C(F)(F)F)c(C(F)(F)F)c3)c(F)cc2F)CC1,IIIUYWQTFWQOEV-UHFFFAOYSA-N
-rxn:4:193894:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3cc(CN4CCOC[C@H]4C)ccc3C)c2)CC1,RMOMZYNKYLZSQJ-OAQYLSRUSA-N
-rxn:4:193909:223179,CONC(=O)c1cc(-c2ccc(C=C3SC(=S)N(C4CCCCC4)C3=O)o2)ccc1F,PPCZQBKSDIHAKE-UHFFFAOYSA-N
-rxn:4:193910:226844,O=C1C(=Cc2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2)SC(=S)N1C1CCS(=O)(=O)C1,NBXQMSCJGQUYMG-UHFFFAOYSA-N
-rxn:4:193935:222933,CC(C)(C)OC(=O)Nc1ncc(-c2ccc(C(=O)N3CCC4(CC3)OCCCO4)o2)cn1,DHSBEEYZSPIKNT-UHFFFAOYSA-N
-rxn:4:193936:225260,CCN(CC)S(=O)(=O)c1ccc(-c2ccc(C(=O)N3CC4(COC(C)(C)OC4)C3)o2)cc1,QADAGGOYMYKUSH-UHFFFAOYSA-N
-rxn:4:193950:223694,CCN1CCN(S(=O)(=O)c2cc(-c3cc(C)cc(CN4CCCCC4C)c3)c(F)cc2C)CC1,CJARGLZSHUOTPR-UHFFFAOYSA-N
-rxn:4:193966:222636,Cc1ccc(C(=O)N2CCC3(CC2)CC3)cc1-c1ccc([C@@H](C)NC(=O)OC(C)(C)C)cc1,JAOSUUWLCMCMHT-HXUWFJFHSA-N
-rxn:4:193976:223179,CONC(=O)c1cc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c(F)c2)ccc1F,KLPRRTTUFJMDBY-UHFFFAOYSA-N
-rxn:4:193998:222823,Cc1cc(-c2ccc(S(=O)(=O)NC(C)(C)C)cc2F)c(S(=O)(=O)N2CCCCCC2)cc1C,YBRYDOFROATFNX-UHFFFAOYSA-N
-rxn:4:194000:224329,Cc1cc(S(=O)(=O)N2CCCCC2C)c(C)cc1-c1ccc(C(=O)N2CCC(=O)CC2)c(F)c1,VAWARDLVEZOESO-UHFFFAOYSA-N
-rxn:4:194001:224460,Cc1cc(C)c(S(=O)(=O)N2CCCCC2)c(C)c1-c1cc(C2CC2)cc(N2CCCCC2)c1,LVJCPOUFVDIBCA-UHFFFAOYSA-N
-rxn:4:194524:223534,CC(C)(C)OC(=O)N1CCC(Oc2cc(-c3ccc4ccn(C(=O)C(C)(C)C)c4c3)c(F)cn2)CC1,VMGMSNFLJNYZQN-UHFFFAOYSA-N
-rxn:4:194572:222839,O=S1(=O)CC2CC1CN2S(=O)(=O)c1ccccc1-c1ccc(NCC2CCCCC2)nc1,GBFFTJOARRMAET-UHFFFAOYSA-N
-rxn:4:194626:222442,O=C(c1ccc(-c2ccc(S(=O)(=O)NC3CCCC3)c3ccccc23)cc1)N1C2CCC1CC(F)C2,JAZZSMWRDDPWFA-UHFFFAOYSA-N
-rxn:4:194649:223006,O=C(C1=Cc2cc(-c3ccc(F)c(C4CCNCC4)c3)ccc2OC=C1)N1CCOCC1,BYKOTMVKMLDQDS-UHFFFAOYSA-N
-rxn:4:194668:222646,Cc1cc(NC(=O)OC(C)(C)C)cc(C)c1-c1ccc2c(c1)CN(CC1CCC1)CCO2,OKDJGVXUODEKRY-UHFFFAOYSA-N
-rxn:4:194696:224592,CC(C)(C)S(=O)N=C1CCCc2cc(-c3cc(C4(C#N)CCCCC4)ccc3F)ccc21,PBYNEUCMCBRKPH-UHFFFAOYSA-N
-rxn:4:194733:223179,CONC(=O)c1cc(-c2ccc(Cl)c(C(=O)N3C4CCC3CC(=C3CC3)C4)c2)ccc1F,JOFRDKRSXOVRPU-UHFFFAOYSA-N
-rxn:4:194747:223818,CC(C)(C)OC(=O)n1ccc2c(-c3cccc4c3CCN(C(=O)C3CCCCC3)C4)c(F)cc(F)c21,PHPYSLYDHFEYMS-UHFFFAOYSA-N
-rxn:4:194750:223179,CONC(=O)c1cc(-c2ccccc2S(=O)(=O)N2C3CCC2CC(=C2CC2)C3)ccc1F,YOLMITJUFMFPNA-UHFFFAOYSA-N
-rxn:4:194751:223179,CONC(=O)c1cc(-c2ccc3c(c2)OC2(CCOCC2)CC(=O)N3CSC)ccc1F,ICJODQLAYVXHKF-UHFFFAOYSA-N
-rxn:4:194751:226844,CSCN1C(=O)CC2(CCOCC2)Oc2cc(-c3ccnc(C(=O)C(F)(F)F)c3)ccc21,QATUCILZUFHTBT-UHFFFAOYSA-N
-rxn:4:194758:223179,CONC(=O)c1cc(-c2ccc3c(c2)CCCC3N2CCC(C(F)(F)F)CC2)ccc1F,XZYFPTZIHUAYSB-UHFFFAOYSA-N
-rxn:4:194758:226844,O=C(c1cc(-c2ccc3c(c2)CCCC3N2CCC(C(F)(F)F)CC2)ccn1)C(F)(F)F,ZCOCHWYEZHBWNM-UHFFFAOYSA-N
-rxn:4:194789:226844,O=C1C2C(c3ccccc3)OC3(C(=O)c4ccccc4C3=O)C2C(=O)N1c1ccccc1-c1ccnc(C(=O)C(F)(F)F)c1,DXVHNGSFKFXXGA-UHFFFAOYSA-N
-rxn:4:194790:222930,O=C1C2C(c3ccc(-c4cnc(Cl)c(N5CCCC(O)C5)c4)cc3)OC3(C(=O)c4ccccc4C3=O)C2C(=O)N1c1ccccc1,FECHUMOICVBDQG-UHFFFAOYSA-N
-rxn:4:194801:226844,Cc1ccc(N2C(=O)C3C(c4ccccc4-c4ccnc(C(=O)C(F)(F)F)c4)OC4(C(=O)c5ccccc5C4=O)C3C2=O)cc1C,ZUSIRJDHEGJCAZ-UHFFFAOYSA-N
-rxn:4:194802:223279,Cc1ccc(N2C(=O)C3C(c4ccc(-c5cnc(C6CCCN6)nc5)cc4)OC4(C(=O)c5ccccc5C4=O)C3C2=O)cc1C,NRJHCEVIKPNWAR-UHFFFAOYSA-N
-rxn:4:194802:226844,Cc1ccc(N2C(=O)C3C(c4ccc(-c5ccnc(C(=O)C(F)(F)F)c5)cc4)OC4(C(=O)c5ccccc5C4=O)C3C2=O)cc1C,UJUBDPLQUNZSCJ-UHFFFAOYSA-N
-rxn:4:194855:226844,Cc1ccc(S(=O)(=O)C2C(=O)N(C)C3(C)CC2c2cc(-c4ccnc(C(=O)C(F)(F)F)c4)ccc2O3)cc1,SZWQPZOIZQLMOQ-UHFFFAOYSA-N
-rxn:4:195116:223507,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccccc2-c2cc(C(F)(F)F)ccn2)CC1,NMHKLHCVEMRRHO-UHFFFAOYSA-N
-rxn:4:197461:223589,Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1c([N+](=O)[O-])cc2c(c1C)COC2=O,PGJFVDBLAHSSEK-UHFFFAOYSA-N
-rxn:4:197739:223482,CC(C)c1cccc2c(-c3ccc(OC(F)(F)F)c(S(=O)(=O)N4CCC5(CC4)OCCO5)c3)ccnc12,HNPWCGZMQHDVMY-UHFFFAOYSA-N
-rxn:4:197914:223843,CCN(CC)S(=O)(=O)c1ccc(-c2cccc3c2CN(C2CCOCC2)C3=O)c(C(F)(F)F)c1,FQAIFQVXQPTXFY-UHFFFAOYSA-N
-rxn:4:197943:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc4c(c3)C(N3CCCCC3)CC4)cc2)CC1,OYJCPUZRHDCVFO-DUJLPWPBSA-N
-rxn:4:197962:223840,COc1ccc(-c2cc3c(cc2[N+](=O)[O-])C(C)(C)CCC3(C)C)cc1S(=O)(=O)N1CCN(C)CC1,YNAKAKUBYNQWGR-UHFFFAOYSA-N
-rxn:4:197978:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc4c(c3)CCCC4N3CCCC(F)(F)C3)cc2)CC1,FYCVGAKCQSNSPH-UHFFFAOYSA-N
-rxn:4:197986:223873,CC1CCN(C(=O)CCc2ccccc2-c2cccc3c2CCCC3N2CCCCC2C)CC1,RZJCFTGKRSIYSK-UHFFFAOYSA-N
-rxn:4:197986:224318,CC1CCCCN1C1CCCc2c(-c3ccc(C(=O)N4CCN(C)CC4)c(F)c3)cccc21,HEXIMCJHMJCMKK-UHFFFAOYSA-N
-rxn:4:197988:224653,CC1CCN(C2CCCc3c(-c4ccc(Cl)cc4OCC4CCCCO4)cccc32)CC1,AYYBNFFYZIMTBJ-UHFFFAOYSA-N
-rxn:4:197989:224329,CC1CCCCN1C1CCCc2cc(-c3ccc(C(=O)N4CCC(=O)CC4)c(F)c3)ccc21,QGOWYPBFLYIOPL-UHFFFAOYSA-N
-rxn:4:197990:224128,CC1CCCN(C2CCCc3cc(-c4ccc(C(=O)N(C)C5CCCCC5)cc4)ccc32)C1,IQPBMDWFWQUSAD-UHFFFAOYSA-N
-rxn:4:198071:222707,CC1(C)CC(=O)C2=C(C1)N=C1c3ccccc3C(=O)C1C2c1ccc(-c2ccnc(CNC(=O)OC(C)(C)C)c2F)cc1,XLCAEIBKTWWPLC-UHFFFAOYSA-N
-rxn:4:198071:223279,CC1(C)CC(=O)C2=C(C1)N=C1c3ccccc3C(=O)C1C2c1ccc(-c2cnc(C3CCCN3)nc2)cc1,VKNBPNSETSHWEO-UHFFFAOYSA-N
-rxn:4:199469:223568,COC(=O)C(C(=O)OC)c1ncc(-c2cnc3c(ccn3[Si](C(C)C)(C(C)C)C(C)C)c2Cl)cc1C#N,WQEIWNPHTSZQFB-UHFFFAOYSA-N
-rxn:4:199469:224609,COC(=O)C(C(=O)OC)c1ncc(-c2cnccc2C(=O)N(C(C)C)C(C)C)cc1C#N,KDHHWVAPJRBSDI-UHFFFAOYSA-N
-rxn:4:199501:225565,CC(C)(C)OC(=O)N(CC(F)(F)F)c1cc(-c2cccc(OCC3CCCO3)c2)ccn1,SICRIBYMKQNTFN-UHFFFAOYSA-N
-rxn:4:199533:223489,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3ccc(Cl)c(C(=O)Oc4coc(CSc5ncccn5)cc4=O)c3)cc2)CC1,CTQLIEQFISQEJR-UHFFFAOYSA-N
-rxn:4:199538:225275,COCCOc1c(F)c(C)cc(-c2ccc([N+](=O)[O-])cc2CN(C)C(=O)OC(C)(C)C)c1F,JGSLKKZSLBMZSS-UHFFFAOYSA-N
-rxn:4:199539:222958,CCCS(=O)(=O)N1CCN=C1SCc1ccc(-c2ccc(C)c(C3CCNCC3)c2)cc1,MCRITNSHJKSYGF-UHFFFAOYSA-N
-rxn:4:199555:226844,CC(C)(C)OC(=O)N1CC(Oc2ccc(C#N)cc2-c2ccnc(C(=O)C(F)(F)F)c2)C1,HARJGNVSXRSJFM-UHFFFAOYSA-N
-rxn:4:199557:226844,CC(C)(C)OC(=O)N1CC(Oc2cc(-c3ccnc(C(=O)C(F)(F)F)c3)ccc2C#N)C1,SEEYVJQFZWKVSN-UHFFFAOYSA-N
-rxn:4:199569:223079,CC(C)NS(=O)(=O)c1cccc(-c2ccc(OCC3CN(C(=O)OC(C)(C)C)C3)cn2)c1,XASIHYWSVWDAGB-UHFFFAOYSA-N
-rxn:4:199575:223179,CONC(=O)c1cc(-c2cc([N+](=O)[O-])ccc2OCCN2CCC(C(F)(F)F)CC2)ccc1F,FPLNYVAFLIWUQB-UHFFFAOYSA-N
-rxn:4:199575:226844,O=C(c1cc(-c2cc([N+](=O)[O-])ccc2OCCN2CCC(C(F)(F)F)CC2)ccn1)C(F)(F)F,HNNOLTMXIOOMAI-UHFFFAOYSA-N
-rxn:4:199596:223179,CONC(=O)c1cc(-c2ccc(OC(F)(F)F)cc2OCCN2CCN(C)CC2)ccc1F,ICHXMGYFPQZTSY-UHFFFAOYSA-N
-rxn:4:199596:226844,CN1CCN(CCOc2cc(OC(F)(F)F)ccc2-c2ccnc(C(=O)C(F)(F)F)c2)CC1,LSJYHWCCLYDMDX-UHFFFAOYSA-N
-rxn:4:199597:223179,CONC(=O)c1cc(-c2cc(OC(F)(F)F)ccc2OCCN2CCN(C)CC2)ccc1F,YANAOMMPIHWPIS-UHFFFAOYSA-N
-rxn:4:199597:226844,CN1CCN(CCOc2ccc(OC(F)(F)F)cc2-c2ccnc(C(=O)C(F)(F)F)c2)CC1,OQFWTJDQPAXDEX-UHFFFAOYSA-N
-rxn:4:199605:224830,O=C(COc1ccc(Cl)cc1)N1CCC(Oc2ncccc2-c2cc(C(F)(F)F)nn2C2CCCCO2)C1,IQPLUVQACBXYSC-UHFFFAOYSA-N
-rxn:4:199618:226844,CN(C)CCN(C(=O)c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)o1)C1CCOCC1,OOYVDBFYVPOSDZ-UHFFFAOYSA-N
-rxn:4:199621:223179,CCOC(=O)CC1CCN(c2ccc([N+](=O)[O-])cc2-c2ccc(F)c(C(=O)NOC)c2)CC1,CYOYPJDOPPISNX-UHFFFAOYSA-N
-rxn:4:199622:226844,CCOC(=O)CN1CCN(S(=O)(=O)c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2)CC1,UJIWELNTOCQAOY-UHFFFAOYSA-N
-rxn:4:199625:223179,CONC(=O)c1cc(-c2ccc(O[C@@H]3CCN(C(=O)OC(C)(C)C)C3)c(C#N)c2)ccc1F,GGVVOSDSIVHRJB-GOSISDBHSA-N
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-rxn:4:199645:226844,CC(C)(C)OC(=O)N1CCCC1COc1cccc(-c2ccnc(C(=O)C(F)(F)F)c2)n1,HTJHYOALXKKSEN-UHFFFAOYSA-N
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-rxn:4:199791:223279,COc1ccc(-c2cnc(C3CCCN3)nc2)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,NAURMAUYBNPRHN-UHFFFAOYSA-N
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-rxn:4:199806:223606,COc1ccc(-c2ccnc(-c3ccc(OS(=O)(=O)c4ccc(-c5ccc(S(=O)(=O)N6CCC7(CC6)OCCO7)c(F)c5)cc4)cc3)n2)cc1,QDJHEABVRQUPGN-UHFFFAOYSA-N
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-rxn:4:199812:223279,CC1CN(C(=O)Cc2ccc(F)cc2-c2cnc(C3CCCN3)nc2)CCN1C(=O)OC(C)(C)C,RWHQKYIMQMMLCE-UHFFFAOYSA-N
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-rxn:4:199826:226844,CC1CN(CCc2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2)CCN1C(=O)OC(C)(C)C,GEUZAWRDYKTRPQ-UHFFFAOYSA-N
-rxn:4:199828:226844,CN(Cc1c(Cl)cccc1-c1ccnc(C(=O)C(F)(F)F)c1)C1CCN(C(=O)OC(C)(C)C)CC1,SMDPLVJZCDTUBY-UHFFFAOYSA-N
-rxn:4:199829:226844,CC1CN(CCc2cc(-c3ccnc(C(=O)C(F)(F)F)c3)ccc2Cl)CCN1C(=O)OC(C)(C)C,WAPDXDVXUJTGBN-UHFFFAOYSA-N
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-rxn:4:199839:226844,COc1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)ccc1-c1ccnc(C(=O)C(F)(F)F)c1,GCPJINJOOIGPDH-OAHLLOKOSA-N
-rxn:4:199841:226512,CC1CN(Cc2cc(C(F)(F)F)ccc2-c2ccncc2OCC2CCO2)CCN1C(=O)OC(C)(C)C,VLQXHEMSBNKTES-UHFFFAOYSA-N
-rxn:4:199841:226844,CC1CN(Cc2cc(C(F)(F)F)ccc2-c2ccnc(C(=O)C(F)(F)F)c2)CCN1C(=O)OC(C)(C)C,DCAUCBGFFOVVBR-UHFFFAOYSA-N
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-rxn:4:199842:223279,CC1CN(C(=O)OC(C)(C)C)CCN1Cc1cc(C(F)(F)F)ccc1-c1cnc(C2CCCN2)nc1,ZMRLLZKPXFXFKQ-UHFFFAOYSA-N
-rxn:4:199842:226844,CC1CN(C(=O)OC(C)(C)C)CCN1Cc1cc(C(F)(F)F)ccc1-c1ccnc(C(=O)C(F)(F)F)c1,LEXQUYLOOXOHDV-UHFFFAOYSA-N
-rxn:4:199843:226844,CN(C)c1ccc(CN(C(=O)c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2)C2CCS(=O)(=O)C2)cc1,NCAAYUKOWYXSJA-UHFFFAOYSA-N
-rxn:4:199844:222467,CN(C)c1ccc(CN(C(=O)c2ccccc2-c2ccc(NC(=O)OC(C)(C)C)c3ccccc23)C2CCS(=O)(=O)C2)cc1,YKQLVEAIJLZUSO-UHFFFAOYSA-N
-rxn:4:199847:223179,CCOc1ccccc1N1CCN(S(=O)(=O)c2ccc(-c3ccc(F)c(C(=O)NOC)c3)c(OC)c2)CC1,JQBZKMUFZCMTNK-UHFFFAOYSA-N
-rxn:4:199847:224009,CCOc1ccccc1N1CCN(S(=O)(=O)c2ccc(-c3ccc(OC)c(S(=O)(=O)N4CCOCC4)c3)c(OC)c2)CC1,RFUFTIACACURGQ-UHFFFAOYSA-N
-rxn:4:199847:226844,CCOc1ccccc1N1CCN(S(=O)(=O)c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)c(OC)c2)CC1,PWDFSNIDFGABSG-UHFFFAOYSA-N
-rxn:4:199848:223179,CCOc1cc(S(=O)(=O)N2CCN(c3ccccc3OC)CC2)ccc1-c1ccc(F)c(C(=O)NOC)c1,MUPAXKZEEKQTCD-UHFFFAOYSA-N
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-rxn:4:199851:223179,CONC(=O)c1cc(-c2ccc(-c3ccc(C=C4SC(=S)N(CCCN5CCOCC5)C4=O)o3)cc2)ccc1F,QACYYYHZTRJRCV-UHFFFAOYSA-N
-rxn:4:199854:223179,CONC(=O)c1cc(-c2ccccc2CCC(=O)N2CCC(N3CCC(OC)C3)CC2)ccc1F,CORRFOVZLZFLTJ-UHFFFAOYSA-N
-rxn:4:199860:224751,CCCOc1cc(S(=O)(=O)N2CCN(c3ccc(C)cc3)CC2)ccc1-c1ccc(F)c(C(=O)N2CCOCC2)c1,HAYDURHXDMPXLN-UHFFFAOYSA-N
-rxn:4:199862:223279,CCCOc1ccc(-c2cnc(C3CCCN3)nc2)cc1S(=O)(=O)N1CCN(c2cccc(Cl)c2C)CC1,CMWNKHFBDMZHSG-UHFFFAOYSA-N
-rxn:4:199863:223179,CCCOc1cc(S(=O)(=O)N2CCN(c3ccc(C)c(Cl)c3)CC2)ccc1-c1ccc(F)c(C(=O)NOC)c1,WGAXAHIQNJWALQ-UHFFFAOYSA-N
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-rxn:4:199866:223179,CONC(=O)c1cc(-c2ccc(-c3ccc(C=C(C(=O)N4CCOCC4)C(=O)N4CCOCC4)o3)cc2)ccc1F,CNDMAWLBSCQBHP-UHFFFAOYSA-N
-rxn:4:199868:223279,COc1cc(C(=O)N2C(=S)C(c3ccc(-c4cnc(C5CCCN5)nc4)cc3)=NC23CCCC3)cc(OC)c1OC,BXTSRNTWHWWZDT-UHFFFAOYSA-N
-rxn:4:199874:223179,CONC(=O)c1cc(-c2ccc(C3CCCN3C(=O)C3CCCN(C(=O)OC(C)(C)C)C3)cc2)ccc1F,UYLNDBRWETVXOX-UHFFFAOYSA-N
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-rxn:4:199957:226844,COC(=O)CC1CCN(C(=O)Cn2ccc3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc32)CC1,DYJHVHZPTJFQTE-UHFFFAOYSA-N
-rxn:4:199960:226844,CCOC(=O)C1CCN(C(=O)Cn2ccc3cc(-c4ccnc(C(=O)C(F)(F)F)c4)ccc32)CC1,BCHGVPFPGQNGFI-UHFFFAOYSA-N
-rxn:4:199967:223179,COCCOC(=O)C1=C(C)N=C2SC(C)C(=O)N2C1c1ccc(-c2ccc(F)c(C(=O)NOC)c2)cc1,BCUKMDBYUKWXJR-UHFFFAOYSA-N
-rxn:4:199981:223279,CCCCCCN1C(=O)C(=C2C(=O)N(CC)c3ccc(-c4cnc(C5CCCN5)nc4)cc32)SC1=S,LKGSEVUSNZWUJN-UHFFFAOYSA-N
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-rxn:4:200003:224256,CC1CCCCN1C(=O)c1cc(-c2cccnc2OC2CCN(C(=O)COc3ccc4ccccc4c3)CC2)ccc1Cl,MXKDRARWKPIMGL-UHFFFAOYSA-N
-rxn:4:200006:224657,Cn1ncc2c(/C=C/CCO[Si](C)(C)C(C)(C)C)c(-c3cccc(O[Si](C)(C)C(C)(C)C)c3F)ccc21,COYXBJMDIVZBRD-NTCAYCPXSA-N
-rxn:4:200012:224596,COc1cc2c(cc1OC)CN(C(=O)CCn1ccc3ccc(-c4ccc(N5CCCCC5C)cc4OC)cc31)CC2,SCPDOWQBSCNLPL-UHFFFAOYSA-N
-rxn:4:200018:226844,CCCCN1C(=O)C(=C2SC(=S)N(CCc3ccccc3)C2=O)c2cc(-c3ccnc(C(=O)C(F)(F)F)c3)ccc21,LXAHTPVBCBWDJY-UHFFFAOYSA-N
-rxn:4:200019:226844,CCCCCCN1C(=O)C(=C2SC(=S)N(c3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3)C2=O)c2ccccc21,LTIMUNGMHGGWHS-UHFFFAOYSA-N
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-rxn:4:200026:226300,CCCC(=O)c1cc(-c2ccc(CC3SC4=NC(C)=C(C(=O)OC)C(c5ccc(OC)cc5)N4C3=O)cc2)ccc1F,LIKUQHCNDLPNOO-UHFFFAOYSA-N
-rxn:4:200030:222918,CC(C)(C)NS(=O)(=O)c1cccc(-c2ccc(Cn3cc(SCC(=O)N4CCCCCC4)c4ccccc43)cc2)c1,FNSQUIXRCKSZLU-UHFFFAOYSA-N
-rxn:4:200031:223279,CC(=O)N1CCc2cc(-c3cnc(C4CCCN4)nc3)cc(S(=O)(=O)CCC(=O)N3CCc4ccccc4C3)c21,MCIGQJWGXMMIBK-UHFFFAOYSA-N
-rxn:4:200032:223279,CCN1C(=O)C(=C2SC(=S)N(CCc3ccc(OC)c(OC)c3)C2=O)c2cc(-c3cnc(C4CCCN4)nc3)ccc21,HBAOVAJJXRTJJZ-UHFFFAOYSA-N
-rxn:4:200032:226844,CCN1C(=O)C(=C2SC(=S)N(CCc3ccc(OC)c(OC)c3)C2=O)c2cc(-c3ccnc(C(=O)C(F)(F)F)c3)ccc21,JZNMCHTXJNWLLL-UHFFFAOYSA-N
-rxn:4:200033:223279,CC(C)(C)[Si](C)(C)OCC1CCN(Cc2cc3ncc(-c4cnc(C5CCCN5)nc4)cc3o2)C1,KWYQWIXFRMZAEF-UHFFFAOYSA-N
-rxn:4:200039:223179,CONC(=O)c1cc(-c2ccc(OC)c(CCC(=O)N3CCC(N4CCc5ccccc5C4)C3)c2)ccc1F,HGKPNKPAGFQNTD-UHFFFAOYSA-N
-rxn:4:200040:222442,O=C(Cn1cc(S(=O)(=O)Cc2ccc(-c3ccc(S(=O)(=O)NC4CCCC4)c4ccccc34)cc2)c2ccccc21)N1CCCCCC1,CSHKRDIVPXQCIN-UHFFFAOYSA-N
-rxn:4:200043:223179,CONC(=O)c1cc(-c2ccc(CN3CCC(N(C)C(=O)OC(C)(C)C)CC3)c3ccccc23)ccc1F,XNJJUWMOVMJELY-UHFFFAOYSA-N
-rxn:4:200046:223179,CONC(=O)c1cc(-c2ccc(CN3CCc4c(OCC(=O)N5CCCCCC5)cccc4C3=O)cc2)ccc1F,YIBINGJHGIHSAM-UHFFFAOYSA-N
-rxn:4:200046:223279,O=C(COc1cccc2c1CCN(Cc1ccc(-c3cnc(C4CCCN4)nc3)cc1)C2=O)N1CCCCCC1,MZIFNIPWIXCDFD-UHFFFAOYSA-N
-rxn:4:200048:223279,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4cnc(C5CCCN5)nc4)cc3)[n+](C)c3ccccc32)C1,SPDOCLDRHQXYBU-UHFFFAOYSA-N
-rxn:4:200055:223179,CONC(=O)c1cc(-c2ccccc2C(=O)OCCN2C(=O)c3cccc4c(N5CCOCC5)ccc(c34)C2=O)ccc1F,LKZUWIBSDRNBBM-UHFFFAOYSA-N
-rxn:4:200055:223279,O=C(OCCN1C(=O)c2cccc3c(N4CCOCC4)ccc(c23)C1=O)c1ccccc1-c1cnc(C2CCCN2)nc1,RXPNTEXCELJPHU-UHFFFAOYSA-N
-rxn:4:200063:223279,O=C(OCCN1C(=O)c2cccc3c(N4CCCCC4)ccc(c23)C1=O)c1ccccc1-c1cnc(C2CCCN2)nc1,SDVXRNWMGBUXEZ-UHFFFAOYSA-N
-rxn:4:200063:226577,CN(C)C(=O)c1cc(Cl)cc(-c2ccccc2C(=O)OCCN2C(=O)c3cccc4c(N5CCCCC5)ccc(c34)C2=O)c1,ZPDMWISBMXGVGU-UHFFFAOYSA-N
-rxn:4:200064:223179,CONC(=O)c1cc(-c2cccc(C(=O)OCCN3C(=O)c4cccc5c(N6CCCCC6)ccc(c45)C3=O)c2)ccc1F,SGHXLLMTPMQLBF-UHFFFAOYSA-N
-rxn:4:200064:223279,O=C(OCCN1C(=O)c2cccc3c(N4CCCCC4)ccc(c23)C1=O)c1cccc(-c2cnc(C3CCCN3)nc2)c1,GGBYMYQOZRTEKZ-UHFFFAOYSA-N
-rxn:4:200065:223279,O=C(OCCN1C(=O)c2cccc3c(N4CCCCC4)ccc(c23)C1=O)c1ccc(-c2cnc(C3CCCN3)nc2)cc1,VAFKGMAUMUTTNO-UHFFFAOYSA-N
-rxn:4:200092:223508,CCOC(=O)c1cc(C#N)cc([N+](=O)[O-])c1-c1ccc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)nc1,JEOXWOHYYKQYFJ-UHFFFAOYSA-N
-rxn:4:200198:224848,CC[C@H]1CC[C@H](c2ccc(-c3cncc(C(=O)N4CC(OCC(F)(F)F)C4)c3)cc2)CC1,ZMRMZNPYYSXZLB-IYARVYRRSA-N
-rxn:4:200217:223997,Cc1cc(-c2cnc(C(C#N)C(=O)OC(C)(C)C)c(F)c2)cc(C)c1S(=O)(=O)N1CCOCC1,YHWVBXDSFNMUPJ-UHFFFAOYSA-N
-rxn:4:200260:224015,Cc1cc(F)c(-c2cc(C(F)(F)F)nnc2OCC[Si](C)(C)C)cc1S(=O)(=O)N1CCOCC1,KPEFYTYPTXNCGH-UHFFFAOYSA-N
-rxn:4:200280:224683,CCC(=O)N1CCN=C1SCc1ccc(-c2cc(F)cc(C(=O)N3CCCCC3)c2)cc1,RZOJYWPKONOMFG-UHFFFAOYSA-N
-rxn:4:200309:222389,CCS(=O)(=O)N1CCN=C1SCc1ccc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)cc1,ZNFFPFZMODCWBE-UHFFFAOYSA-N
-rxn:4:200324:224681,O=C(COc1ccc([N+](=O)[O-])cc1-c1ccc(C(=O)N2CCCCC2)c(F)c1)N1CCCCC1,NSKMYVQZCOPUID-UHFFFAOYSA-N
-rxn:4:200339:226844,O=C(c1cc(-c2cc([N+](=O)[O-])ccc2OCCN2CCCC(F)(F)C2)ccn1)C(F)(F)F,CTPSCCADCLXBIF-UHFFFAOYSA-N
-rxn:4:200340:222740,CC(C)c1cc(-c2cc([N+](=O)[O-])ccc2OCCN2CCC(F)(F)CC2)cc(C2CCCNC2)n1,NCJPADOKGSTGFR-UHFFFAOYSA-N
-rxn:4:200340:223179,CONC(=O)c1cc(-c2cc([N+](=O)[O-])ccc2OCCN2CCC(F)(F)CC2)ccc1F,HXRNOFCFNLNKGR-UHFFFAOYSA-N
-rxn:4:200386:226844,O=C(Cc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1)N1CC(CN2C(=O)COC2=O)C1,KNROJLQTRJOSFT-UHFFFAOYSA-N
-rxn:4:200431:223279,O=C(c1ccc(-c2cnc(C3CCCN3)nc2)o1)N1CCC(CSC2=NCCS2)CC1,RAUJNKZJPIKKQA-UHFFFAOYSA-N
-rxn:4:200431:226844,O=C(c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)o1)N1CCC(CSC2=NCCS2)CC1,CTNNRPGURGVHDB-UHFFFAOYSA-N
-rxn:4:200433:226844,CCOC(=O)N1CCN(S(=O)(=O)c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2)CC1,BWZSOBLXFFEGRC-UHFFFAOYSA-N
-rxn:4:200436:223493,CCOc1cc(S(=O)(=O)n2cc(C)nc2CC)ccc1-c1cc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)ccc1C,AVNPOLBNLYGRNW-UHFFFAOYSA-N
-rxn:4:200439:226844,O=C(c1cc(-c2cc(CCN3CCN(CC(F)(F)F)CC3)ccc2F)ccn1)C(F)(F)F,LJPHEYBGOYFNCN-UHFFFAOYSA-N
-rxn:4:200441:223179,CCOC(=O)c1nc(N2CCC(C(F)(F)F)CC2)ccc1-c1ccc(F)c(C(=O)NOC)c1,LIDLBISHYQPESW-UHFFFAOYSA-N
-rxn:4:200441:226844,CCOC(=O)c1nc(N2CCC(C(F)(F)F)CC2)ccc1-c1ccnc(C(=O)C(F)(F)F)c1,SMMBECGFSIWVEW-UHFFFAOYSA-N
-rxn:4:200443:223279,COc1c(Cl)cc(C(=O)N2CCN(CC(F)(F)F)CC2)cc1-c1cnc(C2CCCN2)nc1,KLAWIPDBZQRSQK-UHFFFAOYSA-N
-rxn:4:200474:223179,CONC(=O)c1cc(-c2csc(OC3CCN(C(=O)OC(C)(C)C)CC3)n2)ccc1F,SLOQUJMSXALGNG-UHFFFAOYSA-N
-rxn:4:200483:223179,CCN1CCN(Cc2ccc(-c3ccc(F)c(C(=O)NOC)c3)cc2OC(F)(F)F)CC1,UMOBPUOKPDLULT-UHFFFAOYSA-N
-rxn:4:200484:223179,CONC(=O)c1cc(-c2cccc(CN3CCN(C)CC3)c2OCC(F)(F)F)ccc1F,YKMUPEYLVLZKLY-UHFFFAOYSA-N
-rxn:4:200484:226844,CN1CCN(Cc2cccc(-c3ccnc(C(=O)C(F)(F)F)c3)c2OCC(F)(F)F)CC1,ULYJZRIQBUTLTG-UHFFFAOYSA-N
-rxn:4:200512:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc(SC4CC(=O)N(c5cc([N+](=O)[O-])ccc5OC)C4=O)cc3)cc2)CC1,BOTGRTDJZUASHH-UHFFFAOYSA-N
-rxn:4:200564:223179,CONC(=O)c1cc(-c2cccc(C(=O)N3CCC(CSC4=NCCS4)CC3)c2)ccc1F,JMTDZADREJWEQO-UHFFFAOYSA-N
-rxn:4:200567:226844,CCOC(=O)N1CCN(S(=O)(=O)c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)c(C)c2)CC1,DIUFEPIGJNUGTM-UHFFFAOYSA-N
-rxn:4:200568:223131,CCOc1ccc(-c2ccc(N3CCNCC3)cc2)cc1S(=O)(=O)N1CCN(C(C)=O)CC1,QSMAPHWRLKJPKU-UHFFFAOYSA-N
-rxn:4:200569:223179,CONC(=O)c1cc(-c2cccnc2OC2CCN(C(=O)OC3CCOCC3)C2)ccc1F,VVLOHWPRIQZPJO-UHFFFAOYSA-N
-rxn:4:200569:223279,O=C(OC1CCOCC1)N1CCC(Oc2ncccc2-c2cnc(C3CCCN3)nc2)C1,PDMSTRRULFTKMG-UHFFFAOYSA-N
-rxn:4:200569:226844,O=C(OC1CCOCC1)N1CCC(Oc2ncccc2-c2ccnc(C(=O)C(F)(F)F)c2)C1,DCPNRABRPSHPQS-UHFFFAOYSA-N
-rxn:4:200573:224592,N#CC1(c2ccc(F)c(-c3ccc(Cl)c(C(=O)N4CCC(CSC5=NCCS5)CC4)c3)c2)CCCCC1,UQZPDSRRGKVAQK-UHFFFAOYSA-N
-rxn:4:200574:223179,CONC(=O)c1cc(-c2cc(OC(F)(F)F)cc(C(=O)N3CCN(C(C)C)CC3)c2)ccc1F,DDTKMUOEPZRLFD-UHFFFAOYSA-N
-rxn:4:200574:223279,CC(C)N1CCN(C(=O)c2cc(OC(F)(F)F)cc(-c3cnc(C4CCCN4)nc3)c2)CC1,CNAZJTBITGTUFS-UHFFFAOYSA-N
-rxn:4:200595:223179,CONC(=O)c1cc(-c2ccc(OC3CCN(C(=O)OC(C)(C)C)CC3)cn2)ccc1F,UMSCHGOPCLKNRX-UHFFFAOYSA-N
-rxn:4:200596:226844,CC(C)(C)OC(=O)N1CCC(Oc2cccc(-c3ccnc(C(=O)C(F)(F)F)c3)n2)CC1,LBDFRDVMMYLWAX-UHFFFAOYSA-N
-rxn:4:200598:226844,CCOc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1S(=O)(=O)N1CCN(CC)CC1,ZPLPROJQKMFVSN-UHFFFAOYSA-N
-rxn:4:200602:226844,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cn2)CC1,XPSPQNKSNKIWGM-UHFFFAOYSA-N
-rxn:4:200606:223179,CCN1CCN(C(=O)c2c(OC)cc(-c3ccc(F)c(C(=O)NOC)c3)cc2OC)CC1,VIWDKFYWPWVMSB-UHFFFAOYSA-N
-rxn:4:200606:226844,CCN1CCN(C(=O)c2c(OC)cc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2OC)CC1,RBSZATNWUWYATC-UHFFFAOYSA-N
-rxn:4:200609:223179,CONC(=O)c1cc(-c2ccc(CN3CCN(C(C)C)CC3)c(OC(F)(F)F)c2)ccc1F,YUYXNGZQCQQPKJ-UHFFFAOYSA-N
-rxn:4:200609:224653,CC(C)N1CCN(Cc2ccc(-c3ccc(Cl)cc3OCC3CCCCO3)cc2OC(F)(F)F)CC1,GTXGNJJMNUDAFO-UHFFFAOYSA-N
-rxn:4:200615:224654,COc1cc(S(=O)(=O)N2CCN(C(C)=O)CC2)c(OC)cc1-c1ccc(F)c(O[Si](C)(C)C(C)(C)C)c1,VLFKFABLKCUOIM-UHFFFAOYSA-N
-rxn:4:200633:222836,COc1ccc(-c2ccc(NC(=O)CC(C)(C)C)cc2)cc1S(=O)(=O)N1CCN(C(=O)c2ccco2)CC1,ACQJZDHCAJEKKS-UHFFFAOYSA-N
-rxn:4:200643:223279,CC(C)(C)OC(=O)N1CCC(C(=O)c2ccc(-c3cnc(C4CCCN4)nc3)nc2)CC1,BTTREAGYCAAUPE-UHFFFAOYSA-N
-rxn:4:200644:226844,CCN1CCN(S(=O)(=O)c2cc(OC)c(-c3ccnc(C(=O)C(F)(F)F)c3)cc2OC)CC1,NZBBJGFDIATUJW-UHFFFAOYSA-N
-rxn:4:200645:224998,O=C(c1cccc(-c2ccc(CSC3=NCCN3C(=O)C3CCCCC3)cc2)c1)N1CCCCC1,JAXLEOJKFOXYSU-UHFFFAOYSA-N
-rxn:4:200645:226844,O=C(C1CCCCC1)N1CCN=C1SCc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1,SCEQZOGPFYDWHA-UHFFFAOYSA-N
-rxn:4:200647:223102,CC(C)(C)NS(=O)(=O)c1sccc1-c1ccc(C2(C#N)CCN(C(=O)OC(C)(C)C)CC2)cc1,FFIUYNOTNQGCNX-UHFFFAOYSA-N
-rxn:4:200647:223179,CONC(=O)c1cc(-c2ccc(C3(C#N)CCN(C(=O)OC(C)(C)C)CC3)cc2)ccc1F,YQAQOUHUZCAGGI-UHFFFAOYSA-N
-rxn:4:200648:223179,CONC(=O)c1cc(-c2cccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)ccc1F,YJYGFFWXUBWASP-UHFFFAOYSA-N
-rxn:4:200649:223179,CONC(=O)c1cc(-c2ccccc2C2(C#N)CCN(C(=O)OC(C)(C)C)CC2)ccc1F,ORHYZILDOQEWAT-UHFFFAOYSA-N
-rxn:4:200649:226844,CC(C)(C)OC(=O)N1CCC(C#N)(c2ccccc2-c2ccnc(C(=O)C(F)(F)F)c2)CC1,UPNGNYVSINUOAL-UHFFFAOYSA-N
-rxn:4:200652:223279,CC(C)(C)OC(=O)N1CCC(C#N)(c2cccc(-c3cnc(C4CCCN4)nc3)c2)CC1,FAKWKOGMMUKUFT-UHFFFAOYSA-N
-rxn:4:200653:223179,CONC(=O)c1cc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3=O)cc2)ccc1F,NBIIOWHGGVOOKX-UHFFFAOYSA-N
-rxn:4:200654:223179,CONC(=O)c1cc(-c2cc(C#N)cc(C3CCCN(C(=O)OC(C)(C)C)C3)c2)ccc1F,LAFKCDGPOSJRLG-UHFFFAOYSA-N
-rxn:4:200654:226844,CC(C)(C)OC(=O)N1CCCC(c2cc(C#N)cc(-c3ccnc(C(=O)C(F)(F)F)c3)c2)C1,FGNCFDVUFZLXHC-UHFFFAOYSA-N
-rxn:4:200655:223602,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3Cl)cc2C#N)CC1,LWAQEUNRCBRLFQ-UHFFFAOYSA-N
-rxn:4:200656:223179,CONC(=O)c1cc(-c2cc(C3CCN(C(=O)OC(C)(C)C)CC3)ccc2C#N)ccc1F,GSFCHAORAICXPM-UHFFFAOYSA-N
-rxn:4:200659:223179,CONC(=O)c1cc(-c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cc2F)ccc1F,OEISWMCXPHGBPS-UHFFFAOYSA-N
-rxn:4:200692:222823,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc(N3CCN(CC(=O)OC(C)(C)C)CC3)cc2)c(F)c1,UGLUAHLASHSQOF-UHFFFAOYSA-N
-rxn:4:200692:226844,CC(C)(C)OC(=O)CN1CCN(c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2)CC1,ZTSZYKUBGZQADW-UHFFFAOYSA-N
-rxn:4:200693:226844,CC(C)(C)OC(=O)CN1CCN(c2cccc(-c3ccnc(C(=O)C(F)(F)F)c3)c2)CC1,NMRZAURNTWNZSF-UHFFFAOYSA-N
-rxn:4:200697:225336,CC(C)(C)OC(=O)N1CCN(Cc2ccccc2-c2ccc(COCC(F)(F)F)cc2F)CC1,HOEHJHXHLVLQIZ-UHFFFAOYSA-N
-rxn:4:200700:223179,CONC(=O)c1cc(-c2cc(Cl)cc(CN3CCN(C(=O)OC(C)(C)C)CC3)c2)ccc1F,AAVJIOKCQJNJFR-UHFFFAOYSA-N
-rxn:4:200701:223279,CC(C)(C)OC(=O)N1CCN(Cc2ccc(Cl)cc2-c2cnc(C3CCCN3)nc2)CC1,KBVJNVMNORCFTC-UHFFFAOYSA-N
-rxn:4:200702:223179,CONC(=O)c1cc(-c2cc(CN3CCN(C(=O)OC(C)(C)C)CC3)ccc2Cl)ccc1F,FQYCYVXYJGYVET-UHFFFAOYSA-N
-rxn:4:200702:223279,CC(C)(C)OC(=O)N1CCN(Cc2ccc(Cl)c(-c3cnc(C4CCCN4)nc3)c2)CC1,DNVSCWDVKDKOTA-UHFFFAOYSA-N
-rxn:4:200702:226844,CC(C)(C)OC(=O)N1CCN(Cc2ccc(Cl)c(-c3ccnc(C(=O)C(F)(F)F)c3)c2)CC1,FVVMRRDBLDDIEG-UHFFFAOYSA-N
-rxn:4:200703:223179,CONC(=O)c1cc(-c2ccc(Cl)c(CN3CCN(C(=O)OC(C)(C)C)CC3)c2)ccc1F,FXAIHAICYUEWSO-UHFFFAOYSA-N
-rxn:4:200703:223279,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3cnc(C4CCCN4)nc3)ccc2Cl)CC1,INILFYSYQPVMQP-UHFFFAOYSA-N
-rxn:4:200703:226844,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3ccnc(C(=O)C(F)(F)F)c3)ccc2Cl)CC1,CWLRDXWLIWSDLN-UHFFFAOYSA-N
-rxn:4:200705:223179,CONC(=O)c1cc(-c2cccc(CN3CCN(C(=O)OC(C)(C)C)CC3)c2Cl)ccc1F,JPYGWEBCVUASLG-UHFFFAOYSA-N
-rxn:4:200705:223279,CC(C)(C)OC(=O)N1CCN(Cc2cccc(-c3cnc(C4CCCN4)nc3)c2Cl)CC1,HRZDUQQEPDGXQA-UHFFFAOYSA-N
-rxn:4:200705:225975,CC(C)(C)OC(=O)N1CCN(Cc2cccc(-c3ccnc(N4CCOCC4)c3Cl)c2Cl)CC1,WHEIFWJGXVXRCP-UHFFFAOYSA-N
-rxn:4:200706:223279,CC(C)(C)OC(=O)N1CCN(Cc2ccc(F)cc2-c2cnc(C3CCCN3)nc2)CC1,HTNKZAOXGHKJHI-UHFFFAOYSA-N
-rxn:4:200707:223179,CONC(=O)c1cc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)c(F)c2)ccc1F,MUZKBFLSYMCBSO-UHFFFAOYSA-N
-rxn:4:200708:223179,CONC(=O)c1cc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)cc2F)ccc1F,GYFYFTONGQEXOG-UHFFFAOYSA-N
-rxn:4:200709:223279,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3cnc(C4CCCN4)nc3)ccc2F)CC1,DVLURFHHMGFCRY-UHFFFAOYSA-N
-rxn:4:200710:223279,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)cc(-c3cnc(C4CCCN4)nc3)c2)CC1,XJBXAMUXEQAMHN-UHFFFAOYSA-N
-rxn:4:200710:223938,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)cc(-c3cc4cc(Cl)ccc4n3C(=O)OC(C)(C)C)c2)CC1,OQHMGEWLKJPEHJ-UHFFFAOYSA-N
-rxn:4:200711:226844,CC(C)(C)OC(=O)N1CCN(Cc2c(F)cccc2-c2ccnc(C(=O)C(F)(F)F)c2)CC1,DWQOYUMQOUEXCM-UHFFFAOYSA-N
-rxn:4:200712:223179,CONC(=O)c1cc(-c2ccc(F)cc2CN2CCN(C(=O)OC(C)(C)C)CC2)ccc1F,FVZHPAJLDOFSJE-UHFFFAOYSA-N
-rxn:4:200716:223179,CCOC(=O)N1CCN(S(=O)(=O)c2cc(C)c(C)cc2-c2ccc(F)c(C(=O)NOC)c2)CC1,ZTNZVAWTBVEZJS-UHFFFAOYSA-N
-rxn:4:200720:223279,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(-c3cnc(C4CCCN4)nc3)cc2)CC1,CEAINXXSQCELIL-UHFFFAOYSA-N
-rxn:4:200721:223179,CONC(=O)c1cc(-c2cccc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)ccc1F,UCYVOAAFLWFWSO-UHFFFAOYSA-N
-rxn:4:200721:223279,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cccc(-c3cnc(C4CCCN4)nc3)c2)CC1,VHJKKJNATKISPY-UHFFFAOYSA-N
-rxn:4:200722:223179,CONC(=O)c1cc(-c2ccc(S(=O)(=O)C3CCN(C(=O)OC(C)(C)C)CC3)nc2)ccc1F,JBHLUPXOHBYXRH-UHFFFAOYSA-N
-rxn:4:200724:226844,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2Cl)CC1,XHNZLBFETHPHFV-UHFFFAOYSA-N
-rxn:4:200726:223179,CONC(=O)c1cc(-c2cc(C(F)(F)F)ccc2N2CCN(C(=O)OC(C)(C)C)CC2)ccc1F,DFOSQHJPBZTMBD-UHFFFAOYSA-N
-rxn:4:200727:223279,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(-c3cnc(C4CCCN4)nc3)cc2F)CC1,XZFLHGSMROSTCD-UHFFFAOYSA-N
-rxn:4:200728:223179,CONC(=O)c1cc(-c2ccc(F)c(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)ccc1F,RBKKVVAJSIYJSL-UHFFFAOYSA-N
-rxn:4:200728:224616,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cc(-c3ccccc3OCCN3CCOCC3)ccc2F)CC1,JZODJHHQWONPGU-UHFFFAOYSA-N
-rxn:4:200729:226844,CC(C)(C)OC(=O)N1CCN(c2ccc(C(F)(F)F)c(-c3ccnc(C(=O)C(F)(F)F)c3)c2)CC1,CDIJCWASSHYSTD-UHFFFAOYSA-N
-rxn:4:200731:223279,CC(C)(C)OC(=O)N1CCN(c2c(-c3cnc(C4CCCN4)nc3)cccc2C(F)(F)F)CC1,RXQAJJQCTVEQMM-UHFFFAOYSA-N
-rxn:4:200731:226844,CC(C)(C)OC(=O)N1CCN(c2c(-c3ccnc(C(=O)C(F)(F)F)c3)cccc2C(F)(F)F)CC1,RJQXMVNXVUHTHI-UHFFFAOYSA-N
-rxn:4:200732:226844,CC(C)(C)OC(=O)N1CCN(c2cc(-c3ccnc(C(=O)C(F)(F)F)c3)ccc2C(F)(F)F)CC1,DMAOKWIDEOKOEN-UHFFFAOYSA-N
-rxn:4:200733:224371,COC(=O)C1CCN(c2ncc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)c(C(F)(F)F)c3)cn2)CC1,WSDGFMVCHNCDFA-UHFFFAOYSA-N
-rxn:4:200749:223179,CONC(=O)c1cc(-c2ccc(S(=O)(=O)ON=C3CCN(S(=O)(=O)c4ccccc4)CC3)cc2)ccc1F,GWPWVYHWRNASAQ-UHFFFAOYSA-N
-rxn:4:200755:226844,COc1cc(-c2ccnc(C(=O)C(F)(F)F)c2)cc(C2CCCN(C(=O)OC(C)(C)C)C2)n1,HWZNTSWQZFMQNK-UHFFFAOYSA-N
-rxn:4:200756:223279,COC1CCN(C2CN(C(=O)Cc3ccc(-c4cnc(C5CCCN5)nc4)cc3)C2)CC1,LYCLCWOQPHSJFD-UHFFFAOYSA-N
-rxn:4:200762:223279,CC(C)(C)OC(=O)N1CC2(CN(Cc3ccc(-c4cnc(C5CCCN5)nc4)cc3)C2)C1,OFVCOVMRLRJTJZ-UHFFFAOYSA-N
-rxn:4:200763:226844,COc1ncc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1C1CCN(C(=O)OC(C)(C)C)CC1,YGHQWTCSGUTTSE-UHFFFAOYSA-N
-rxn:4:200780:223279,COc1ccc(-c2cnc(C3CCCN3)nc2)c(C(=O)N2CC(N3CCC(OC)CC3)C2)c1,IHQMEHSPEDVBKT-UHFFFAOYSA-N
-rxn:4:200782:226844,C[C@H]1CN(C(=O)c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2)CCN1C(=O)OC(C)(C)C,USZNMXJCDLQGAJ-HNNXBMFYSA-N
-rxn:4:200783:226844,Cc1cc(-c2ccnc(C(=O)C(F)(F)F)c2)ccc1C1(C#N)CCN(C(=O)OC(C)(C)C)CC1,UFVSYGZVMQJCII-UHFFFAOYSA-N
-rxn:4:200787:223179,CONC(=O)c1cc(-c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)[C@@H](C)C3)cc2Cl)ccc1F,YZVIEVFMJVEBQU-HNNXBMFYSA-N
-rxn:4:200789:223279,CC1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1ccc(-c2cnc(C3CCCN3)nc2)c(F)c1,ANEFCZYXGKHJLB-UHFFFAOYSA-N
-rxn:4:200790:223179,CONC(=O)c1cc(-c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)[C@H](C)C3)cc2F)ccc1F,PEPADSXFVAHCHC-OAHLLOKOSA-N
-rxn:4:200799:223179,CONC(=O)c1cc(-c2ccccc2CCC(=O)N2CCC(N3C(=O)COCC3=O)CC2)ccc1F,MOCMOISNYCBKRA-UHFFFAOYSA-N
-rxn:4:200799:223279,O=C(CCc1ccccc1-c1cnc(C2CCCN2)nc1)N1CCC(N2C(=O)COCC2=O)CC1,XEOQXCMJJOOIPA-UHFFFAOYSA-N
-rxn:4:200801:222629,Cc1cnccc1OCC1CCN(S(=O)(=O)c2ccccc2-c2cc(C3CCCNC3)nc(C(C)(C)C)c2)CC1,SZQGBTLGYUNOQL-UHFFFAOYSA-N
-rxn:4:200801:224392,Cc1cnccc1OCC1CCN(S(=O)(=O)c2ccccc2-c2cc(S(=O)(=O)N3CCOCC3)ccc2C)CC1,QEDHJQMANAQRJZ-UHFFFAOYSA-N
-rxn:4:200807:226844,COc1cc(S(=O)(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)ccc1-c1ccnc(C(=O)C(F)(F)F)c1,ABDZMHNHCLFUED-UHFFFAOYSA-N
-rxn:4:200816:223279,C[C@@H]1CN(Cc2ccc(-c3cnc(C4CCCN4)nc3)cc2)CCN1C(=O)OC(C)(C)C,QZQVBPLIJFIEAD-ZZWBGTBQSA-N
-rxn:4:200816:226844,C[C@@H]1CN(Cc2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2)CCN1C(=O)OC(C)(C)C,REPKHQYHPKIZII-MRXNPFEDSA-N
-rxn:4:200818:223279,C[C@H]1CN(Cc2ccc(-c3cnc(C4CCCN4)nc3)c(Cl)c2)CCN1C(=O)OC(C)(C)C,OKGYSZKKGHGGDK-LBOXEOMUSA-N
-rxn:4:200818:225899,Cc1cc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)[C@@H](C)C3)cc2Cl)n(C(=O)OC(C)(C)C)n1,UGCOPDASAZJIQR-SFHVURJKSA-N
-rxn:4:200819:223279,CC1CN(Cc2cc(F)cc(-c3cnc(C4CCCN4)nc3)c2)CCN1C(=O)OC(C)(C)C,SZXRRNVPDPVOLR-UHFFFAOYSA-N
-rxn:4:200821:223279,CC(C)(C)OC(=O)N1CCCN(S(=O)(=O)c2ccc(-c3cnc(C4CCCN4)nc3)cc2)CC1,XJNJLONBTPZMNT-UHFFFAOYSA-N
-rxn:4:200821:226844,CC(C)(C)OC(=O)N1CCCN(S(=O)(=O)c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2)CC1,RNKGHYIXALBIJN-UHFFFAOYSA-N
-rxn:4:200823:223179,CONC(=O)c1cc(-c2ccc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c(C)c2)ccc1F,QXGCIUIQVQWRFV-UHFFFAOYSA-N
-rxn:4:200825:223179,CONC(=O)c1cc(-c2cc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)ccc2C)ccc1F,DWTYGIUHCXFLNS-UHFFFAOYSA-N
-rxn:4:200827:223279,CC1CN(S(=O)(=O)c2cc(-c3cnc(C4CCCN4)nc3)c(F)cc2F)CCN1C(=O)OC(C)(C)C,XGGJFMKEXZYRCX-UHFFFAOYSA-N
-rxn:4:200837:223279,O=C(CCc1ccccc1-c1cnc(C2CCCN2)nc1)N1CCCN(C2CCSC2)CC1,FZBUQYVXJKNOTH-UHFFFAOYSA-N
-rxn:4:200840:223646,COC(=O)C1CCCN(Cc2ccc(-c3ccc(OC4CCN(C(=O)OC(C)(C)C)C4)cc3)cc2N2CCCC2)C1,QLKWFRKBBPOHHX-UHFFFAOYSA-N
-rxn:4:200843:222523,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2C2CC2)c(C(F)(F)F)c1,CBPMDQHQEYIEBE-UHFFFAOYSA-N
-rxn:4:200845:223279,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cnc(C4CCCN4)nc3)cc(C3CC3)c2)CC1,ANYMSZLQWOTDCF-UHFFFAOYSA-N
-rxn:4:200853:223279,COC(=O)C1CCN(Cc2ccc(-c3cnc(C4CCCN4)nc3)cc2N2CCOCC2)CC1,FXGOHNYBTXCHMJ-UHFFFAOYSA-N
-rxn:4:200854:223279,COC(=O)C1CCCN(Cc2ccc(-c3cnc(C4CCCN4)nc3)cc2N2CCOCC2)C1,RZTSZUXYPNGIJW-UHFFFAOYSA-N
-rxn:4:200856:223279,Cc1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)ccc1-c1cnc(C2CCCN2)nc1,AAZZIIUIQVATED-HXBUSHRASA-N
-rxn:4:200856:226844,Cc1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)ccc1-c1ccnc(C(=O)C(F)(F)F)c1,HUJKSOHCFUSHBZ-INIZCTEOSA-N
-rxn:4:200861:223995,COc1cc(C)c(-c2cc(N3CCN(C)CC3)cc(C(F)(F)F)c2)cc1S(=O)(=O)N1CCN(Cc2ccccc2)CC1,HAANBXRVRLNXDU-UHFFFAOYSA-N
-rxn:4:200864:223279,C[C@@H]1CN(Cc2cccc(-c3cnc(C4CCCN4)nc3)c2)[C@@H](C)CN1C(=O)OC(C)(C)C,ZLLADBBPYVKXQP-HXIJRHRVSA-N
-rxn:4:200865:223279,CC(c1cccc(-c2cnc(C3CCCN3)nc2)c1)N1CCN(C(=O)OC(C)(C)C)C(C)C1,BYXJQANAFQAHEP-UHFFFAOYSA-N
-rxn:4:200866:223279,CC1CN(C(=O)OC(C)(C)C)CCN1C(C)c1cccc(-c2cnc(C3CCCN3)nc2)c1,HQXPUECMORXNBR-UHFFFAOYSA-N
-rxn:4:200867:223179,CONC(=O)c1cc(-c2ccccc2C(C)N2CCN(C(=O)OC(C)(C)C)CC2C)ccc1F,YXSCDWVRLAVZPK-UHFFFAOYSA-N
-rxn:4:200868:223179,CONC(=O)c1cc(-c2ccccc2C(C)N2CCN(C(=O)OC(C)(C)C)C(C)C2)ccc1F,AUECEQQHHCVZJN-UHFFFAOYSA-N
-rxn:4:200869:223279,Cc1cc(CN2CCN(C(=O)OC(C)(C)C)C(C)C2)cc(-c2cnc(C3CCCN3)nc2)c1,RNUUEVYAHCVGBT-UHFFFAOYSA-N
-rxn:4:200870:223279,C[C@@H]1CN(Cc2ccc(F)c(-c3cnc(C4CCCN4)nc3)c2)[C@@H](C)CN1C(=O)OC(C)(C)C,PWSHFBVUVNVCGM-BSKKSYLPSA-N
-rxn:4:200871:223683,Cc1cc(-c2cnc(OC3CCN(C(=O)OC(C)(C)C)C3)nc2)cc(C)c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,RZMSMOPIENOTOJ-UHFFFAOYSA-N
-rxn:4:200872:223279,Cc1cc(-c2cnc(C3CCCN3)nc2)cc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)c1,HQRBLNFVQUXMHI-HXBUSHRASA-N
-rxn:4:200873:226844,COc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)c(C(=O)N2CCC(Oc3cc(C)n(C)c(=O)c3)CC2)c1,WTSSDHSYHOGFMG-UHFFFAOYSA-N
-rxn:4:200874:226844,O=C(c1cc(-c2cnccc2OC2CCN(C(=O)C3(c4ccccc4)CCOCC3)C2)ccn1)C(F)(F)F,DCWKRQVEEGEJSP-UHFFFAOYSA-N
-rxn:4:200877:226844,COc1cc(OC)cc(C2=NC3(CCCC3)N(C(=O)c3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3)C2=S)c1,HEOWXSMCGSJXSI-UHFFFAOYSA-N
-rxn:4:200878:225902,COc1ccc(S(=O)(=O)N2CCOC23CCN(C(=O)c2ccc(-c4ccc(C(=O)N(C)OC)c(F)c4)o2)CC3)cc1,GEUNKQVKNDPSHY-UHFFFAOYSA-N
-rxn:4:200881:226844,O=C(CCc1ccccc1-c1ccnc(C(=O)C(F)(F)F)c1)N1CCCN(C2CCSCC2)CC1,BSECMVKCVWAEHS-UHFFFAOYSA-N
-rxn:4:200882:226844,CC(C)(C)OC(=O)N1CCC2(CC1)CN(Cc1cccc(-c3ccnc(C(=O)C(F)(F)F)c3)c1)C2,MOGJUFWSJOQBMU-UHFFFAOYSA-N
-rxn:4:200883:223179,CONC(=O)c1cc(-c2ccccc2CN2CC3(CCN(C(=O)OC(C)(C)C)CC3)C2)ccc1F,WINDAOGSCRVFEH-UHFFFAOYSA-N
-rxn:4:200883:225383,CC(C)(C)OC(=O)N1CCC2(CC1)CN(Cc1ccccc1-c1c(C(F)(F)F)cccc1C(F)(F)F)C2,JBKHRCFODOJDLG-UHFFFAOYSA-N
-rxn:4:200883:227052,CC(C)(C)OC(=O)N1CCC2(CC1)CN(Cc1ccccc1-c1ccc(SC(C)(C)C)cc1)C2,NXVFKSSOQQLWOE-UHFFFAOYSA-N
-rxn:4:200884:223179,CONC(=O)c1cc(-c2ccc(CN3CC4(CCN(C(=O)OC(C)(C)C)CC4)C3)cc2)ccc1F,FYGFCMGGNOYGDY-UHFFFAOYSA-N
-rxn:4:200884:226844,CC(C)(C)OC(=O)N1CCC2(CC1)CN(Cc1ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc1)C2,UFSLRHCATUPFEF-UHFFFAOYSA-N
-rxn:4:200886:222537,O=C(c1ccc(-c2cc(C3CCCC3)nc(C3CCCNC3)c2)cc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1,RRIPYXHXVIRZDQ-UHFFFAOYSA-N
-rxn:4:200891:223179,CCOc1ccccc1N1CCN(S(=O)(=O)c2cc(C)c(-c3ccc(F)c(C(=O)NOC)c3)cc2C)CC1,FEBLGDGVRKVHHD-UHFFFAOYSA-N
-rxn:4:200892:223179,CCOc1ccc(-c2ccc(F)c(C(=O)NOC)c2)cc1S(=O)(=O)N1CCN(c2ccc(C)cc2C)CC1,OKQBILFMONMESJ-UHFFFAOYSA-N
-rxn:4:200895:223179,CONC(=O)c1cc(-c2ccc(C(=O)N3CCCCC3CCN3CCCCCC3)cc2)ccc1F,ROCCAIRNRBGKTM-UHFFFAOYSA-N
-rxn:4:200895:226844,O=C(c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1)N1CCCCC1CCN1CCCCCC1,YJGWNQPHTIGDIZ-UHFFFAOYSA-N
-rxn:4:200899:223279,COc1cc(S(=O)(=O)N2CCN(c3cc(C)cc(C)c3)CC2)c(OC)cc1-c1cnc(C2CCCN2)nc1,PSGINLKQQKYYJF-UHFFFAOYSA-N
-rxn:4:200900:223179,CONC(=O)c1cc(-c2ccc(C3=NC4(CCCCC4)N(C(=O)c4ccc(OC)c(OC)c4)C3=S)cc2)ccc1F,CCEUOEKYGJCVKG-UHFFFAOYSA-N
-rxn:4:200900:223279,COc1ccc(C(=O)N2C(=S)C(c3ccc(-c4cnc(C5CCCN5)nc4)cc3)=NC23CCCCC3)cc1OC,NKCCWGJIHGNLHN-UHFFFAOYSA-N
-rxn:4:200900:228841,COc1ccc(C(=O)N2C(=S)C(c3ccc(-c4cc(F)c(Cl)cc4C)cc3)=NC23CCCCC3)cc1OC,PXWBGCLJDKBGAI-UHFFFAOYSA-N
-rxn:4:200901:223279,COc1cc(OC)cc(C2=NC3(CCCCC3)N(C(=O)c3ccc(-c4cnc(C5CCCN5)nc4)cc3)C2=S)c1,WEFLROHNDRQCSE-UHFFFAOYSA-N
-rxn:4:200922:224719,CC(C)c1nn(C(=O)OC(C)(C)C)cc1-c1ccc2c(c1)c(CC#N)cn2C(=O)OC(C)(C)C,IMMGLTFNADVTCU-UHFFFAOYSA-N
-rxn:4:200981:225898,COCCn1c(=NC(=O)C2=COCCO2)sc2cc(-c3cnn(CCN4CCOCC4)c3)ccc21,BLRFWXGBSDLICT-UHFFFAOYSA-N
-rxn:4:201030:226844,CCOC(=O)N1CCN(C(=O)c2cc3cc(-c4ccnc(C(=O)C(F)(F)F)c4)ccc3oc2=O)CC1,JMJFASNAGVQFGV-UHFFFAOYSA-N
-rxn:4:201058:224227,CCOC(=O)C1=C(C)N=C2SC(CC)C(=O)N2C1c1cccc(-c2cc(F)c(OCc3ccccc3)cc2F)c1,FKHQODJCLFAFAW-UHFFFAOYSA-N
-rxn:4:201081:226844,CCCCN1C(=O)C(=C2SC(=S)N(Cc3ccco3)C2=O)c2cc(-c3ccnc(C(=O)C(F)(F)F)c3)ccc21,FVXJBLCIAFYTSL-UHFFFAOYSA-N
-rxn:4:201085:223179,CCOC(=O)CN1C(=O)C(=C2SC(=S)N(c3ccc(-c4ccc(F)c(C(=O)NOC)c4)cc3)C2=O)c2ccccc21,SMHFAYDTWKXTPN-UHFFFAOYSA-N
-rxn:4:201085:226844,CCOC(=O)CN1C(=O)C(=C2SC(=S)N(c3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3)C2=O)c2ccccc21,VTCJJAUKGPWNHU-UHFFFAOYSA-N
-rxn:4:201088:224286,O=C(Cc1ccc(-c2ccc(OCCN3CCOCC3)c(Cl)c2)cc1)N1C2CCC1CC(Oc1ccccn1)C2,VPXJAXXXCACMEL-UHFFFAOYSA-N
-rxn:4:201097:222936,CCC(=O)NS(=O)(=O)c1ccc(-c2ccc3c(c2)CN(C(=O)C2CCN(C(=O)OC(C)(C)C)C2)C3)cc1,RHLJZTVIPPAQCB-UHFFFAOYSA-N
-rxn:4:201097:225154,COc1cc(-c2ccc3c(c2)CN(C(=O)C2CCN(C(=O)OC(C)(C)C)C2)C3)cc(-c2cnn(C)c2)c1,ABZLIMXRJUEBCZ-UHFFFAOYSA-N
-rxn:4:201101:226844,CC1=C(C(=O)OCC(C)C)C(c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2)N2C(=O)C(C)SC2=N1,FHHIOVRMJGDAJW-UHFFFAOYSA-N
-rxn:4:201103:223279,O=C(CCc1ccccc1-c1cnc(C2CCCN2)nc1)N1CC(N2C(=O)C3CC=CCC3C2=O)C1,FVIHRNHTAIUMDO-UHFFFAOYSA-N
-rxn:4:201104:223279,CCOc1ccc(C2SCC3C(=O)N(c4ccc(-c5cnc(C6CCCN6)nc5)cc4)C(=S)N32)cc1OC,VNCLOYICCPURSL-UHFFFAOYSA-N
-rxn:4:201108:223179,CONC(=O)c1cc(-c2ccccc2CCC(=O)N2CC(N3CC4CCCC4C3)C2)ccc1F,FFJUJZBZDRHRGZ-UHFFFAOYSA-N
-rxn:4:201109:226844,CC(C)(C)OC(=O)N1CCC(CN2C(=O)COc3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc32)C1,QYXKNUOLKGZIEN-UHFFFAOYSA-N
-rxn:4:201118:223279,CCCCN1C(=O)C(=C2SC(=S)N(Cc3ccccc3)C2=O)c2cc(-c3cnc(C4CCCN4)nc3)ccc21,XOTFYBNESCMKHA-UHFFFAOYSA-N
-rxn:4:201124:223179,CONC(=O)c1cc(-c2ccc3c(ccn3CC3CCN(C(=O)OC(C)(C)C)CC3)c2)ccc1F,LBMIHVITWMZXBD-UHFFFAOYSA-N
-rxn:4:201129:224493,COc1ccc(-c2ccc(CO[Si](C)(C)C(C)(C)C)cc2)c(C(=O)N2CCC(Oc3cccc4cccnc34)CC2)c1,HSFQVEJIUDOEKW-UHFFFAOYSA-N
-rxn:4:201132:223179,CONC(=O)c1cc(-c2ccc3c(CC(=O)N(C)C4CCN(C)CC4)c(OC)ccc3c2)ccc1F,XSQIXGPXWQNTJZ-UHFFFAOYSA-N
-rxn:4:201133:224062,Cc1ccc(C)c(COc2cccc(-c3ccc4c(c3)CN(CC3CCN(C(=O)OC(C)(C)C)CC3)C4=O)c2)c1,GUFBPKVDXDHTDD-UHFFFAOYSA-N
-rxn:4:201134:223179,CONC(=O)c1cc(-c2ccc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c3ccccc23)ccc1F,HLKBNTWWZRIIHR-UHFFFAOYSA-N
-rxn:4:201134:226844,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)c3ccccc23)CC1,KEUHXQJABVTMAI-UHFFFAOYSA-N
-rxn:4:201142:222868,CCc1cc2cc(-c3ccccc3NC(=O)OC(C)(C)C)cnc2n1[Si](C(C)C)(C(C)C)C(C)C,ZSOXRQQVUFLPLH-UHFFFAOYSA-N
-rxn:4:201143:223179,CONC(=O)c1cc(-c2ccccc2CCC(=O)N2CCC(N3CCc4sccc4C3)CC2)ccc1F,HJDMJQBFPOWKFD-UHFFFAOYSA-N
-rxn:4:201146:226844,CCCCN1C(=O)C(=C2SC(=S)N(C(C)c3ccccc3)C2=O)c2cc(-c3ccnc(C(=O)C(F)(F)F)c3)ccc21,LJHNZLSRNVBJBY-UHFFFAOYSA-N
-rxn:4:201147:226844,CCCCN1C(=O)C(=C2SC(=S)N(Cc3ccc(C)cc3)C2=O)c2cc(-c3ccnc(C(=O)C(F)(F)F)c3)ccc21,HDTZWSRWGHUQEY-UHFFFAOYSA-N
-rxn:4:201182:223179,CONC(=O)c1cc(-c2cccc(C3c4c(oc5ccccc5c4=O)C(=O)N3CCCN3CCOCC3)c2)ccc1F,JPZHESOAOGQYQL-UHFFFAOYSA-N
-rxn:4:201182:225917,CCOC(=O)c1cc(F)c(-c2cccc(C3c4c(oc5ccccc5c4=O)C(=O)N3CCCN3CCOCC3)c2)c(F)c1,HCEHQAZHUZXVBG-UHFFFAOYSA-N
-rxn:4:201189:223279,COc1ccc2c(=O)c3c(oc2c1)C(=O)N(CCN1CCOCC1)C3c1ccc(-c2cnc(C3CCCN3)nc2)cc1,FNKUSROMZZOYBI-UHFFFAOYSA-N
-rxn:4:201190:223179,CONC(=O)c1cc(-c2cccc(C3c4c(oc5ccc(C)cc5c4=O)C(=O)N3CCCN3CCOCC3)c2)ccc1F,RJYBRBJJNDFXNZ-UHFFFAOYSA-N
-rxn:4:201190:223279,Cc1ccc2oc3c(c(=O)c2c1)C(c1cccc(-c2cnc(C4CCCN4)nc2)c1)N(CCCN1CCOCC1)C3=O,UJKCACFWZHMVEZ-UHFFFAOYSA-N
-rxn:4:201198:223529,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cnc(C#N)cc3OCC(F)(F)F)cc2F)CC1,HCEGPAHKVNJTFY-UHFFFAOYSA-N
-rxn:4:201325:223500,CCOC(=O)c1c(C#N)c(Cl)nc(C)c1-c1ccc(F)c(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1,VESZRIJINGQSGM-UHFFFAOYSA-N
-rxn:4:201579:224010,COc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1cnc(OCC2CCOCC2)c(C#N)c1,RPKVAWKJBHRSPK-UHFFFAOYSA-N
-rxn:4:201632:224825,CCOC(=O)C1(C)CC(c2ccc(-c3cc(C(=O)N(C)OC)cc([N+](=O)[O-])c3)cn2)=NO1,MGPJPQYFTJTPCY-UHFFFAOYSA-N
-rxn:4:201674:224319,Cc1cc(S(=O)(=O)N2CCCCC2)ccc1-c1cc(F)ccc1N1CCCC(C(=O)CC#N)C1=O,CYDZUSDIKNZQOV-UHFFFAOYSA-N
-rxn:4:201730:222722,Cc1c(-c2cccc(S(=O)(=O)N3CCC(O)CC3)c2)c(C2CC2)nn1C(=O)OC(C)(C)C,AASSKGYOILSJGL-UHFFFAOYSA-N
-rxn:4:201732:223536,CCOC(=O)C1CCC(n2cc(-c3cc(F)c(F)c(N4CCN(C(=O)OC(C)(C)C)CC4)c3)cn2)CC1,FBRHLCLNGKGOQP-UHFFFAOYSA-N
-rxn:4:201733:224488,COC(=O)c1cc(-c2ccc(C(=O)N(C(C)C)C(C)C)cc2)nn1CC1CCCCC1,SFSDCMPFDGOGAX-UHFFFAOYSA-N
-rxn:4:201759:225189,O=C(Cc1cncc(-c2cccc(CN3C(=O)CCC3=O)c2)c1)N1CCC(C(F)(F)F)CC1,ZZDCRMZSGRHBDY-UHFFFAOYSA-N
-rxn:4:201765:226844,O=C(c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1)N1CC(CN2C(=O)COC2=O)C1,NDBXPARXMKCNBY-UHFFFAOYSA-N
-rxn:4:201775:223521,CC(c1cccc(-c2nc(C3CCN(C(=O)OC(C)(C)C)C3)cs2)c1)N1CCN(C(=O)OC(C)(C)C)CC1,CLYYFCQVINTSKD-UHFFFAOYSA-N
-rxn:4:201804:224319,Cc1cc(S(=O)(=O)N2CCCCC2)ccc1-c1cc(OC(F)F)cc(C(=O)N2CCN(C)CC2)c1,FOPUPOKDEUGNLX-UHFFFAOYSA-N
-rxn:4:201814:225189,CCOC(=O)c1nc(N2CCC(F)(F)CC2)ccc1-c1cccc(CN2C(=O)CCC2=O)c1,VFLWDSKLKQSAPO-UHFFFAOYSA-N
-rxn:4:201815:223179,CONC(=O)c1cc(-c2ccc(OC(F)(F)F)c(C(=O)N3CCN(C)CC3)c2)ccc1F,JPDNRXPJDFOQKE-UHFFFAOYSA-N
-rxn:4:201815:226844,CN1CCN(C(=O)c2cc(-c3ccnc(C(=O)C(F)(F)F)c3)ccc2OC(F)(F)F)CC1,ZDNYEUGTHZPJIZ-UHFFFAOYSA-N
-rxn:4:201816:223179,CONC(=O)c1cc(-c2cc(OC(F)(F)F)cc(C(=O)N3CCN(C)CC3)c2)ccc1F,WTSZJJNJLSBBMR-UHFFFAOYSA-N
-rxn:4:201816:226844,CN1CCN(C(=O)c2cc(OC(F)(F)F)cc(-c3ccnc(C(=O)C(F)(F)F)c3)c2)CC1,GJUXZAJJNMTLRB-UHFFFAOYSA-N
-rxn:4:201840:224827,COC(=O)c1ccc(OC(F)(F)F)cc1-c1cccnc1OC1CCN(C(=O)C2CC2)CC1,OYUKHXUWTWYJAQ-UHFFFAOYSA-N
-rxn:4:201843:222545,CN1CCC(COc2c(F)cc([N+](=O)[O-])cc2-c2ccc(C(C)(C)NC(=O)OC(C)(C)C)cc2)CC1,ZLRPKCUSNKGNHT-UHFFFAOYSA-N
-rxn:4:201857:223179,CONC(=O)c1cc(-c2ccc(CC(=O)N3CC(N4C(=O)CCC4=O)C3)cc2)ccc1F,UBLLUOSPLXDGEV-UHFFFAOYSA-N
-rxn:4:201858:223179,CONC(=O)c1cc(-c2cccc(C(=O)N3CC(CN4C(=O)CCC4=O)C3)c2)ccc1F,KNAIUQGWZKAYOY-UHFFFAOYSA-N
-rxn:4:201859:226844,O=C(C1CC(F)(F)C1)N1CCC(Oc2ccncc2-c2ccnc(C(=O)C(F)(F)F)c2)C1,MMTLIGFEHMSWOT-UHFFFAOYSA-N
-rxn:4:201861:223179,CONC(=O)c1cc(-c2cc([N+](=O)[O-])c(OC)cc2N2CCCC(C(F)(F)F)C2)ccc1F,RHLDHFVORLIWCD-UHFFFAOYSA-N
-rxn:4:201862:223279,COc1cc(N2CCC(C(F)(F)F)CC2)c(-c2cnc(C3CCCN3)nc2)cc1[N+](=O)[O-],ZHCXMPPTUXTABE-UHFFFAOYSA-N
-rxn:4:201870:223279,O=C(c1cc(-c2cnc(C3CCCN3)nc2)ccc1Cl)N1CC(CN2C(=O)CCC2=O)C1,UETKYOWQDKOLAV-UHFFFAOYSA-N
-rxn:4:201870:226844,O=C(c1cc(-c2ccnc(C(=O)C(F)(F)F)c2)ccc1Cl)N1CC(CN2C(=O)CCC2=O)C1,NUTXCIKNKTZYQC-UHFFFAOYSA-N
-rxn:4:201906:224607,COc1ccc(-c2ccc(C(=O)OCC[Si](C)(C)C)cc2)c(C(=O)N2CC(N3C(=O)CCC3=O)C2)c1,ZEQIQUWDATWIBI-UHFFFAOYSA-N
-rxn:4:201907:223179,CONC(=O)c1cc(-c2ccc(CC(=O)N3CCC(N4C(=O)COC4=O)C3)cc2)ccc1F,IRXSPAGKLNOEJC-UHFFFAOYSA-N
-rxn:4:201908:224406,O=C1CCC(=O)N1CC1CN(S(=O)(=O)c2ccc(-c3ccc(F)c(S(=O)(=O)N4CCOCC4)c3)cc2)C1,FYFXEOPHEYBSFD-UHFFFAOYSA-N
-rxn:4:201908:226844,O=C1CCC(=O)N1CC1CN(S(=O)(=O)c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2)C1,DPESRODCDJUVAL-UHFFFAOYSA-N
-rxn:4:201929:222922,CC(C)(C)NS(=O)(=O)c1ccccc1-c1nc(C2CCCN(C(=O)OC(C)(C)C)C2)cs1,RSLAONKQWPLJRO-UHFFFAOYSA-N
-rxn:4:201967:223179,CONC(=O)c1cc(-c2ccc(S(=O)(=O)N3CCN(C(C)=O)CC3)cc2OC)ccc1F,PKWPDYJQXDUYAZ-UHFFFAOYSA-N
-rxn:4:201968:226844,CC(C)(C)OC(=O)c1nc(N2CCC(F)(F)C2)ccc1-c1ccnc(C(=O)C(F)(F)F)c1,YMRBCCQFDVDWTH-UHFFFAOYSA-N
-rxn:4:201999:224718,CC(C)(C)OC(=O)N1CCOCC1c1cccc(-c2ccc(OCCN3CCOCC3)nc2)n1,UCNKDKVZKNJOTF-UHFFFAOYSA-N
-rxn:4:202020:225977,CC(C)(C)OC(=O)N1CCOC(c2ccncc2-c2cc(Cl)cnc2N2CCOCC2)C1,KKXLAQRLSSHVHP-UHFFFAOYSA-N
-rxn:4:202022:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2ccc(C3COCCN3C(=O)OC(C)(C)C)nc2)cc1,FOLCNOCWEDGRNC-UHFFFAOYSA-N
-rxn:4:202062:223042,CCOC(=O)C1CCC(n2nc(C)c(-c3ccc(C(=O)NC(C)C)c(Cl)c3)c2C)CC1,KIKMSYXOJJGOHP-UHFFFAOYSA-N
-rxn:4:202069:225279,Cc1nn(C(=O)OC(C)(C)C)c(C)c1-c1cncc(C(=O)N2CCC(S(=O)(=O)C(C)(C)C)C2)c1,FOLJFZMZYIHPPO-UHFFFAOYSA-N
-rxn:4:202070:223889,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cccc4c3CN(C(=O)OC(C)(C)C)CC4)cc2)C(=O)C1,VCVMNISZLLCEMH-UHFFFAOYSA-N
-rxn:4:202071:223179,CONC(=O)c1cc(-c2cnccc2OC2CCN(C(=O)C3CCOCC3)C2)ccc1F,ULLKXLUZDYBMLT-UHFFFAOYSA-N
-rxn:4:202071:226844,O=C(C1CCOCC1)N1CCC(Oc2ccncc2-c2ccnc(C(=O)C(F)(F)F)c2)C1,HNBWXOITGHKSLB-UHFFFAOYSA-N
-rxn:4:202072:223179,CONC(=O)c1cc(-c2cccc(N3CCN(C(=O)OC(C)(C)C)CC3=O)c2)ccc1F,UULXTUSNJSBQOZ-UHFFFAOYSA-N
-rxn:4:202073:223179,CONC(=O)c1cc(-c2ccccc2N2CCN(C(=O)OC(C)(C)C)CC2=O)ccc1F,RSAZGKJEKRKSAI-UHFFFAOYSA-N
-rxn:4:202075:223179,CONC(=O)c1cc(-c2ccc(C3(C)CCN(C(=O)OC(C)(C)C)C3=O)nc2)ccc1F,XLZYADSFVGEQMR-UHFFFAOYSA-N
-rxn:4:202077:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cccnc3OC3CCN(S(=O)(=O)c4ccccc4)CC3)ccn2)CC1,XQMGAXMSZPXJCP-UHFFFAOYSA-N
-rxn:4:202077:223699,O=S(=O)(c1ccc(-c2cccnc2OC2CCN(S(=O)(=O)c3ccccc3)CC2)c(C(F)(F)F)c1)N1CCOCC1,GHNMFTYHERPMCR-UHFFFAOYSA-N
-rxn:4:202094:225124,CC(C)N1CCN(CCc2ccc(F)c(-c3ccnc(OCC4CCOCC4)c3)c2)CC1,COUHZRMRYICFOZ-UHFFFAOYSA-N
-rxn:4:202095:223093,Cc1nc(C2CCN(C(=O)OC(C)(C)C)CC2)sc1-c1cncc(NS(=O)(=O)C(C)C)c1,GFXWFFNFSJXPBU-UHFFFAOYSA-N
-rxn:4:202102:223179,CONC(=O)c1cc(-c2cnc(C3CCN(C(=O)OC(C)(C)C)CC3C)s2)ccc1F,MXCJYXIBEUIAAP-UHFFFAOYSA-N
-rxn:4:202107:223080,CC(C)NS(=O)(=O)c1ccc(-c2ccnc(C3CCCN(C(=O)OC(C)(C)C)C3)c2)cc1,UOMSVBHPJPHVPC-UHFFFAOYSA-N
-rxn:4:202119:223093,COC(=O)c1cc(-c2cncc(NS(=O)(=O)C(C)C)c2)cc(N2CCN(C(C)C)CC2)c1,PRMBTONJMXYURY-UHFFFAOYSA-N
-rxn:4:202122:222819,COc1cc(C(=O)N2CCC(N(C)C)CC2)ccc1-c1ccc(NC(=O)N2CCOCC2)nc1,POUMGOMYYKFFJE-UHFFFAOYSA-N
-rxn:4:202122:225115,CCOc1c(Cl)cc(-c2ccc(C(=O)N3CCC(N(C)C)CC3)cc2OC)cc1OC(C)C,LMOGELUMDXNCOR-UHFFFAOYSA-N
-rxn:4:202136:226844,CC(C)(C)OC(=O)C1CCN(c2c(F)cncc2-c2ccnc(C(=O)C(F)(F)F)c2)CC1,NWZCNPKEMCGRJB-UHFFFAOYSA-N
-rxn:4:202138:223179,CONC(=O)c1cc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2F)ccc1F,QTBNWJGVMHWGSJ-UHFFFAOYSA-N
-rxn:4:202139:223179,CONC(=O)c1cc(-c2ccc(CN3CCC(N(C)C)CC3)cc2C(F)(F)F)ccc1F,QIMOJLMKXUIJQE-UHFFFAOYSA-N
-rxn:4:202143:226844,COc1cc(C)c(-c2ccnc(C(=O)C(F)(F)F)c2)cc1S(=O)(=O)N1CCN(C(C)=O)CC1,GFSBATNKWFFURJ-UHFFFAOYSA-N
-rxn:4:202146:223179,CONC(=O)c1cc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c(F)c2F)ccc1F,HGCXFLIJLTWPPH-UHFFFAOYSA-N
-rxn:4:202158:223830,CCN1CCN(S(=O)(=O)c2cc(-c3cncc(C(=O)N4CCC(Oc5cc(C)oc(=O)c5)CC4)c3)ccc2C)CC1,RQMFTBRZVZIIPT-UHFFFAOYSA-N
-rxn:4:202158:224371,COC(=O)C1CCN(c2ncc(-c3cncc(C(=O)N4CCC(Oc5cc(C)oc(=O)c5)CC4)c3)cn2)CC1,DRMHGOADHFYIRB-UHFFFAOYSA-N
-rxn:4:202160:222865,CCCCNC(=O)c1ccc(-c2ccc(N3CCC(=O)N(Cc4ccc(OC)cc4)C3=O)cc2F)cc1Cl,ZESYQXQRWBMMPG-UHFFFAOYSA-N
-rxn:4:202175:223279,O=C(C1CCCN1S(=O)(=O)c1ccc(-c2cnc(C3CCCN3)nc2)cc1)N1CCOCC1,UUIICFPVQMHYBS-UHFFFAOYSA-N
-rxn:4:202195:224291,O=C(C1CC=CCC1)N1CCC(Oc2ncccc2-c2ccc(OCCN3CCOCC3)c(F)c2)CC1,FYXSYCXTFHSGEK-UHFFFAOYSA-N
-rxn:4:202200:223179,CONC(=O)c1cc(-c2ccc(CN3CCOC(C(=O)N4CCOCC4)C3)cc2)ccc1F,OKYNVPUJUVMWCY-UHFFFAOYSA-N
-rxn:4:202201:223179,CONC(=O)c1cc(-c2cccc(CN3CCOC(C(=O)N4CCOCC4)C3)c2)ccc1F,BZKXEMQVMDFQSN-UHFFFAOYSA-N
-rxn:4:202204:224671,CC(C)(C)c1nnc(-c2cccc(-c3cccc(N4CC(C(=O)N5CCC(CF)CC5)CC4=O)c3)c2)o1,VKDLYVCTYJPCQU-UHFFFAOYSA-N
-rxn:4:202215:223992,COc1ccc(-c2ccc(C)c(S(=O)(=O)N3CCN(C)CC3)c2)cc1S(=O)(=O)N1CCN(c2ccc(F)cc2)CC1,YBUKVHUYOVNHAP-UHFFFAOYSA-N
-rxn:4:202227:223134,Cc1cc(-c2cnccc2C2CCCNC2)cc(C2CCCN(C(=O)OC(C)(C)C)C2)n1,CTJSCSODMXWTPV-UHFFFAOYSA-N
-rxn:4:202227:226844,Cc1cc(-c2ccnc(C(=O)C(F)(F)F)c2)cc(C2CCCN(C(=O)OC(C)(C)C)C2)n1,JIMNXJQDOVTINL-UHFFFAOYSA-N
-rxn:4:202229:226844,Cc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccnc(C(=O)C(F)(F)F)c1,YEPBFGVJAIBDHE-UHFFFAOYSA-N
-rxn:4:202231:226844,Cc1cc(-c2ccnc(C(=O)C(F)(F)F)c2)ccc1N1CCN(C(=O)OC(C)(C)C)CC1,YBGSWSBTHVRTKF-UHFFFAOYSA-N
-rxn:4:202236:226844,CC1CN(C(=O)OC(C)(C)C)CCC1c1cncc(-c2ccnc(C(=O)C(F)(F)F)c2)c1,HDHQDOZACBNQKO-UHFFFAOYSA-N
-rxn:4:202263:225156,CN(C)S(=O)(=N[Si](C)(C)C(C)(C)C)c1ccc(-c2cc(C(=O)N3CCCC3)ccc2F)cc1,SSFIVRWODJVTPM-UHFFFAOYSA-N
-rxn:4:202264:223179,CONC(=O)c1cc(-c2cccc(C(=O)N3CCCSCC3CN3CCCC3)c2)ccc1F,KHDSYEBDBWMLMC-UHFFFAOYSA-N
-rxn:4:202264:226844,O=C(c1cccc(-c2ccnc(C(=O)C(F)(F)F)c2)c1)N1CCCSCC1CN1CCCC1,FHZDEEJRQQBIBP-UHFFFAOYSA-N
-rxn:4:202266:226844,O=C(C1CN(Cc2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2)CCO1)N1CCCCC1,KBWSLXQEKYXRMU-UHFFFAOYSA-N
-rxn:4:202267:223279,O=C(C1CN(Cc2cccc(-c3cnc(C4CCCN4)nc3)c2)CCO1)N1CCCCC1,AZPZKEBMRLBUKI-UHFFFAOYSA-N
-rxn:4:202272:226844,O=C(C1CCCN(Cc2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2)C1)N1CCSCC1,AEIHABZGBZEIPL-UHFFFAOYSA-N
-rxn:4:202275:223179,CONC(=O)c1cc(-c2ccc(Cl)c(C(=O)N3CCC(N4CCC(OC)C4)CC3)c2)ccc1F,DXXNKUZSLFKXNZ-UHFFFAOYSA-N
-rxn:4:202276:223279,FC(F)(F)C1CCCN(Cc2ccc(-c3cnc(C4CCCN4)nc3)cc2N2CCCC2)C1,NANZHHUQFBNZHK-UHFFFAOYSA-N
-rxn:4:202276:226844,O=C(c1cc(-c2ccc(CN3CCCC(C(F)(F)F)C3)c(N3CCCC3)c2)ccn1)C(F)(F)F,VXOBTYCYYFGUTP-UHFFFAOYSA-N
-rxn:4:202284:223179,CONC(=O)c1cc(-c2ccc(OC)c(CN3CCC(N4CCCC4)CC3)c2)ccc1F,IETVFXNMAAAAGM-UHFFFAOYSA-N
-rxn:4:202284:224483,COc1ccc(-c2ccc(OCCN3CCCCC3)cc2)cc1CN1CCC(N2CCCC2)CC1,YNSZWVKOHSMWDK-UHFFFAOYSA-N
-rxn:4:202287:223279,O=C(c1ccccc1-c1cnc(C2CCCN2)nc1)N1CCCSCC1CN1CCOCC1,SQWGPFNMEAMFPE-UHFFFAOYSA-N
-rxn:4:202288:226844,O=C(c1cccc(-c2ccnc(C(=O)C(F)(F)F)c2)c1)N1CCCSCC1CN1CCOCC1,QNEHVDBMOASBBR-UHFFFAOYSA-N
-rxn:4:202289:223279,COc1ccc(-c2cnc(C3CCCN3)nc2)c(C(=O)N2CCCN(C3CCSC3)CC2)c1,HSJTVSIVPNEFEY-UHFFFAOYSA-N
-rxn:4:202306:223761,CCN1CCN(Cc2cc(-c3ccc(C4CCCN4C(=O)OC(C)(C)C)cc3)cc(C(C)(C)C)c2)CC1,MAQFWDUJVWTHGO-UHFFFAOYSA-N
-rxn:4:202307:223179,CCN1CCN(S(=O)(=O)c2cc(C)c(-c3ccc(F)c(C(=O)NOC)c3)cc2C(C)C)CC1,KKHKWCWPGVBGOY-UHFFFAOYSA-N
-rxn:4:202308:223279,Cc1c(-c2cnc(C3CCCN3)nc2)cccc1N1CCN(C(=O)OC(C)(C)C)C(C)C1,RWTSKEURZLBCDG-UHFFFAOYSA-N
-rxn:4:202313:226844,O=C(C1CCN(Cc2ccccc2-c2ccnc(C(=O)C(F)(F)F)c2)CC1)N1CCC(F)(F)CC1,TXIDBJOIGVTDHF-UHFFFAOYSA-N
-rxn:4:202328:222524,COC1CCN(C2CCN(S(=O)(=O)c3ccccc3-c3cc(F)c(F)cc3S(=O)(=O)N3CCC(O)CC3)CC2)CC1,QUZGXUDCXDIGDF-UHFFFAOYSA-N
-rxn:4:202328:222817,COc1ccc(S(=O)(=O)NC2CC2)cc1-c1ccccc1S(=O)(=O)N1CCC(N2CCC(OC)CC2)CC1,GJSLKWYOOGTKAP-UHFFFAOYSA-N
-rxn:4:202328:223179,CONC(=O)c1cc(-c2ccccc2S(=O)(=O)N2CCC(N3CCC(OC)CC3)CC2)ccc1F,CNDUBWBNBZJPQP-UHFFFAOYSA-N
-rxn:4:202328:223311,COC1CCN(C2CCN(S(=O)(=O)c3ccccc3-c3cccc(C4CNC4)c3)CC2)CC1,UWRQRROWFBRYFL-UHFFFAOYSA-N
-rxn:4:202328:223312,COC1CCN(C2CCN(S(=O)(=O)c3ccccc3-c3ccc(C4CNC4)cc3)CC2)CC1,BYQUEHLSOKMCRP-UHFFFAOYSA-N
-rxn:4:202328:226844,COC1CCN(C2CCN(S(=O)(=O)c3ccccc3-c3ccnc(C(=O)C(F)(F)F)c3)CC2)CC1,DGRSDRWHSLTAEJ-UHFFFAOYSA-N
-rxn:4:202328:227066,COC1CCN(C2CCN(S(=O)(=O)c3ccccc3-c3cccc(C(=O)C4CC4)c3)CC2)CC1,MSBUCCXMQHNPDG-UHFFFAOYSA-N
-rxn:4:202328:227207,COC1CCN(C2CCN(S(=O)(=O)c3ccccc3-c3cccc4c3OCCC4=O)CC2)CC1,SYFUPEAYMKRFJJ-UHFFFAOYSA-N
-rxn:4:202328:227828,COC1CCN(C2CCN(S(=O)(=O)c3ccccc3-c3cccc(C4CC4)c3C)CC2)CC1,PTVPVVUIGCVXHV-UHFFFAOYSA-N
-rxn:4:202328:228514,COC1CCN(C2CCN(S(=O)(=O)c3ccccc3-c3cccc(C4CC4)c3)CC2)CC1,ZDRUPKGOCPURPP-UHFFFAOYSA-N
-rxn:4:202328:228520,COC1CCN(C2CCN(S(=O)(=O)c3ccccc3-c3cc(C)c(C)cc3C)CC2)CC1,OKHKSAKMOIODOX-UHFFFAOYSA-N
-rxn:4:202328:228531,COC1CCN(C2CCN(S(=O)(=O)c3ccccc3-c3cccc4c3CCO4)CC2)CC1,QPMQZGDRBROYIS-UHFFFAOYSA-N
-rxn:4:202328:228603,COC1CCN(C2CCN(S(=O)(=O)c3ccccc3-c3cccc(C(C)=O)c3)CC2)CC1,SLIDWEVWWRFYGI-UHFFFAOYSA-N
-rxn:4:202328:228634,COC1CCN(C2CCN(S(=O)(=O)c3ccccc3-c3c(C)cc(Cl)cc3C)CC2)CC1,YFSAMSZPJKXFMM-UHFFFAOYSA-N
-rxn:4:202329:226034,COc1cc(C)c(-c2cc(Cl)c(OC)c(C(F)(F)F)c2)cc1S(=O)(=O)N1CCN(c2ccc(C)cc2)CC1,HEXQKFPNTCHFLP-UHFFFAOYSA-N
-rxn:4:202337:228089,CCCOc1ncccc1-c1ccc(C(=O)N2CCC3(CC2)OCCN3S(=O)(=O)c2ccc(C)cc2)o1,OTLMWQXDICWDIX-UHFFFAOYSA-N
-rxn:4:202341:223179,CONC(=O)c1cc(-c2cc(CN3CCN(C(C)C)CC3)cc(C(C)(C)C)c2)ccc1F,BRXDNMFGYCAKKB-UHFFFAOYSA-N
-rxn:4:202344:223179,CONC(=O)c1cc(-c2ccc(S(=O)(=O)N3CCN(c4c(C)cc(C)cc4C)CC3)cc2OC)ccc1F,RVBHLQSTNRBZKE-UHFFFAOYSA-N
-rxn:4:202344:226844,COc1cc(S(=O)(=O)N2CCN(c3c(C)cc(C)cc3C)CC2)ccc1-c1ccnc(C(=O)C(F)(F)F)c1,QSDLFOZAQHKCDH-UHFFFAOYSA-N
-rxn:4:202346:223179,CONC(=O)c1cc(-c2ccc(C3=NC4(CCCCCC4)N(C(=O)c4ccc(OC)cc4)C3=S)cc2)ccc1F,NHCBNKRIYSAVEI-UHFFFAOYSA-N
-rxn:4:202346:223279,COc1ccc(C(=O)N2C(=S)C(c3ccc(-c4cnc(C5CCCN5)nc4)cc3)=NC23CCCCCC3)cc1,CYIMCIFZLHVKQP-UHFFFAOYSA-N
-rxn:4:202347:223279,Cc1ccc(S(=O)(=O)N2CCOC23CCN(C(=O)c2cccc(-c4cnc(C5CCCN5)nc4)c2)CC3)cc1,MBUMJIICEDRPRL-UHFFFAOYSA-N
-rxn:4:202347:226844,Cc1ccc(S(=O)(=O)N2CCOC23CCN(C(=O)c2cccc(-c4ccnc(C(=O)C(F)(F)F)c4)c2)CC3)cc1,AXVFBRVZMFRCIZ-UHFFFAOYSA-N
-rxn:4:202349:226844,Cc1ccc(S(=O)(=O)N2CCOC23CCN(C(=O)c2ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc2)CC3)cc1,QNESPIIIGUSDCM-UHFFFAOYSA-N
-rxn:4:202352:226844,Cc1cc(S(=O)(=O)N2CCOC23CCN(C(=O)c2ccccc2-c2ccnc(C(=O)C(F)(F)F)c2)CC3)ccc1F,LXLXQMLHUCCADI-UHFFFAOYSA-N
-rxn:4:202501:223898,C#CCn1c(=NC(=O)C(C)(C)C)sc2cc(-c3ccc(N(C(=O)OC(C)(C)C)C(C)C)cc3)ccc21,NCIANEWGWZPBJU-UHFFFAOYSA-N
-rxn:4:202519:223179,CONC(=O)c1cc(-c2cc3c(cc2[N+](=O)[O-])CCN(C(=O)OC(C)(C)C)C3)ccc1F,IRNFXRKCOLLWNN-UHFFFAOYSA-N
-rxn:4:202520:226844,CC(C)(C)OC(=O)N1CCc2c([N+](=O)[O-])ccc(-c3ccnc(C(=O)C(F)(F)F)c3)c2C1,AOTFPMCBXCRRQL-UHFFFAOYSA-N
-rxn:4:202560:225286,C#CCn1c(=NC(=O)C2CCCCC2)sc2cc(-c3cc(F)ncc3C(=O)OC(C)(C)C)ccc21,KFBQCCZZRZMDJJ-UHFFFAOYSA-N
-rxn:4:202564:223179,CONC(=O)c1cc(-c2ccc3c(c2)C(=O)N(C2CN(C(=O)OC(C)(C)C)C2)C3=O)ccc1F,XATIUTWUMUTRTQ-UHFFFAOYSA-N
-rxn:4:202596:223279,CCCN1C(=O)C(=C2C(=O)N(CCC)c3ccc(-c4cnc(C5CCCN5)nc4)cc32)SC1=S,NREXNFOUZNMXIJ-UHFFFAOYSA-N
-rxn:4:202598:226844,CCCCN1C(=O)C(=C2SC(=S)N(CC)C2=O)c2cc(-c3ccnc(C(=O)C(F)(F)F)c3)ccc21,WRTCWTYXHQBNAE-UHFFFAOYSA-N
-rxn:4:202599:226844,CCC1SC2=NC(C)=C(C(=O)OC)C(c3cccc(-c4ccnc(C(=O)C(F)(F)F)c4)c3)N2C1=O,HEAIAZDNRKGWAM-UHFFFAOYSA-N
-rxn:4:202655:225327,CCCOc1ncc(C(F)(F)F)cc1-c1ccc2[nH]cc(C3=CCN(C(=O)OC(C)(C)C)CC3)c2c1,YNUJALTWHZWJNM-UHFFFAOYSA-N
-rxn:4:202661:226844,CCCN1C(=O)C(=C2SC(=S)N(C(C)CC)C2=O)c2cc(-c3ccnc(C(=O)C(F)(F)F)c3)ccc21,ITJGEDRXJQPUPW-UHFFFAOYSA-N
-rxn:4:202674:223939,CC(C)[Si](C(C)C)(C(C)C)n1ccc2cc(-c3ccc4c(c3)N(C(=O)OC(C)(C)C)CCO4)cnc21,ZNRQIMIZXBFLKE-UHFFFAOYSA-N
-rxn:4:202683:223179,CONC(=O)c1cc(-c2ccc(CC(=O)N3CC(N4CC5CCCC5C4)C3)cc2)ccc1F,AAYQWTFTCWBXDW-UHFFFAOYSA-N
-rxn:4:202683:226844,O=C(Cc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1)N1CC(N2CC3CCCC3C2)C1,JJPVATQGPGDGMO-UHFFFAOYSA-N
-rxn:4:202684:226844,CC(C)(C)OC(=O)N1CC(N2CCc3cc(-c4ccnc(C(=O)C(F)(F)F)c4)ccc3C2)C1,NEBFZGUPWJIZTO-UHFFFAOYSA-N
-rxn:4:202686:223179,CCOC(=O)N1CCC(N2Cc3cc(-c4ccc(F)c(C(=O)NOC)c4)ccc3OCC2=O)CC1,PCCPAODZEYPGRC-UHFFFAOYSA-N
-rxn:4:202695:226832,CCCN1C(=O)C(=C2SC(=S)N(Cc3ccccc3)C2=O)c2cc(-c3cccnc3OCC(F)(F)F)ccc21,JGMVIXUTHGEDOB-UHFFFAOYSA-N
-rxn:4:202696:226844,COc1cccc(N2C(=NC(=O)c3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3)SC3CS(=O)(=O)CC32)c1,RAOXKGZGKDUEAU-UHFFFAOYSA-N
-rxn:4:202700:223279,O=C1CCC(=O)N1C1CC2CCC(C1)N2C(=O)Cc1ccc(-c2cnc(C3CCCN3)nc2)cc1,LPPUMHXEJFLQKO-UHFFFAOYSA-N
-rxn:4:202700:223930,Cc1cc2c(cnn2C(=O)OC(C)(C)C)cc1-c1ccc(CC(=O)N2C3CCC2CC(N2C(=O)CCC2=O)C3)cc1,WLCPZFIZCSRCHP-UHFFFAOYSA-N
-rxn:4:202707:226844,CSc1cccc(N2C(=O)N(Cc3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3F)C3CS(=O)(=O)CC32)c1,KEVFMHGJGMTYPQ-UHFFFAOYSA-N
-rxn:4:202708:223279,CCN1C(=O)C(=C2SC(=S)N(Cc3ccc(OC)cc3)C2=O)c2cc(-c3cnc(C4CCCN4)nc3)ccc21,MBLXOSHHVHGPHJ-UHFFFAOYSA-N
-rxn:4:202713:222496,CC(C)(C)OC(=O)N1CCC(N2Cc3cc(-c4ccc(S(=O)(=O)NCCc5ccccc5)cc4)ccc3C2=O)CC1,TYKKCUYTHFEWJT-UHFFFAOYSA-N
-rxn:4:202713:223279,CC(C)(C)OC(=O)N1CCC(N2Cc3cc(-c4cnc(C5CCCN5)nc4)ccc3C2=O)CC1,HCBHVJUNHGXUDU-UHFFFAOYSA-N
-rxn:4:202720:223593,Cc1ccc2ncc(C(=O)N3CCCC3)c(S(=O)(=O)c3ccc(-c4ccc(N5CCN(C(=O)OC(C)(C)C)CC5)c(Cl)c4)cc3)c2c1,KLWGWCAEFKXCJM-UHFFFAOYSA-N
-rxn:4:202728:222740,CC(C)c1cc(-c2ccc(CC(=O)N3CCC(N4CCc5ccccc5C4)C3)cc2)cc(C2CCCNC2)n1,VKIUUIMMIDXBJP-UHFFFAOYSA-N
-rxn:4:202733:223179,CCc1ccc(N2C(=O)N(Cc3ccc(-c4ccc(F)c(C(=O)NOC)c4)cc3F)C3CS(=O)(=O)CC32)cc1,HJEYFIPEDXRYLE-UHFFFAOYSA-N
-rxn:4:202737:224161,CCc1cccc(N2C(=O)N(Cc3cccc(-c4ccc5c(c4)CN(C(=O)OC(C)(C)C)C5)c3)c3ccccc3S2(=O)=O)c1,PDLGIEGHOWERBN-UHFFFAOYSA-N
-rxn:4:202740:226844,COc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)c(C(=O)N2CCC(N3CCc4sccc4C3)CC2)c1,MZVCKLLMLXIWDY-UHFFFAOYSA-N
-rxn:4:202745:223659,CC(C)(C)OC(=O)N1CCC(Cn2cc(-c3ccc(C4C5C(=O)N(Cc6ccccc6)C(=O)C5ON4c4ccccc4)cc3)cn2)CC1,IGQRYXDXSIRYPS-UHFFFAOYSA-N
-rxn:4:202750:224321,CC1CCN(C(=O)c2cnc3ccc(F)cc3c2S(=O)(=O)c2ccc(-c3cccc(S(=O)(=O)N4CCC(C)CC4)c3)cc2)CC1,VHNYZOBCWMXICK-UHFFFAOYSA-N
-rxn:4:202754:223179,CONC(=O)c1cc(-c2ccc3c(c2)CCCN3C2CCN(C(=O)OC(C)(C)C)CC2)ccc1F,UIRNDEYABZFRKF-UHFFFAOYSA-N
-rxn:4:202755:223279,CC(C)(C)OC(=O)N1CCC(N2Cc3cc(-c4cnc(C5CCCN5)nc4)ccc3OCC2=O)CC1,XEQNVTZMCGTVNZ-UHFFFAOYSA-N
-rxn:4:202756:224710,CCCCOc1cc(-c2ccc3c(c2)C(=C2SC(=S)N(C4CCCCC4)C2=O)C(=O)N3CCCC)cc(C(F)(F)F)c1,HQXASXKRSUIMBI-UHFFFAOYSA-N
-rxn:4:202807:226844,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1,BRYIRSTUJLGQNP-UHFFFAOYSA-N
-rxn:4:203231:223540,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1cnc(Sc2cccc(F)c2)c([N+](=O)[O-])c1,HMNQJEXHOXBEDT-UHFFFAOYSA-N
-rxn:4:203638:224325,CS(=O)(=O)N1CC=C(c2ccc(-c3ccc(S(=O)(=O)NN4CCOCC4)cc3)cc2)CC1,UJJYUVAFYUOZEQ-UHFFFAOYSA-N
-rxn:4:203651:223582,COC(=O)c1ccc2cc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3[N+](=O)[O-])n(C(=O)OC(C)(C)C)c2c1,VOUJYWRLLXHUGZ-UHFFFAOYSA-N
-rxn:4:203651:224309,CC(C)(C)[Si](C)(C)Oc1ccc(Cl)c(-c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])c1F,NUWFHHPSABTDOC-UHFFFAOYSA-N
-rxn:4:203672:222628,O=C(c1cncc(-c2cc(C3CCC3)nc(C3CCCNC3)c2)c1)N1CCCC(CF)C1,GDPKOZRFGCHWGD-UHFFFAOYSA-N
-rxn:4:203709:223179,CONC(=O)c1cc(-c2ccc(C(=O)N3CCC(N4C(=O)COC4=O)C3)o2)ccc1F,JVRIPHDRKQSDOH-UHFFFAOYSA-N
-rxn:4:203712:226844,O=C(c1cc(-c2ccc(S(=O)(=O)N3C=CC(C(F)(F)F)=NCC3)cc2)ccn1)C(F)(F)F,UFDOWXGEDOJBSA-UHFFFAOYSA-N
-rxn:4:203726:223872,CCN(C(=O)c1cccc(-c2cnc(N3CCCCC3)c(C(=O)OC)c2)c1)C1CCCCC1,QXGJNFMNOACGMS-UHFFFAOYSA-N
-rxn:4:203758:223179,CONC(=O)c1cc(-c2cc(F)c([N+](=O)[O-])c(N3CCC(C(F)(F)F)CC3)c2)ccc1F,JSFODOBEIPPDBG-UHFFFAOYSA-N
-rxn:4:203759:223179,CONC(=O)c1cc(-c2cc(N3CCCC(C(F)(F)F)C3)c([N+](=O)[O-])cc2F)ccc1F,CZTHLNVXDXPKJM-UHFFFAOYSA-N
-rxn:4:203759:226844,O=C(c1cc(-c2cc(N3CCCC(C(F)(F)F)C3)c([N+](=O)[O-])cc2F)ccn1)C(F)(F)F,CCNLIPNTUZWEQD-UHFFFAOYSA-N
-rxn:4:203760:223179,CONC(=O)c1cc(-c2cc(N3CCC(C(F)(F)F)CC3)c([N+](=O)[O-])cc2F)ccc1F,VPRGDUCOIYOZFX-UHFFFAOYSA-N
-rxn:4:203764:223179,CONC(=O)c1cc(-c2cnc(N3CCCC(C(F)(F)F)C3)cc2C(F)(F)F)ccc1F,FFNIICUARWZTEX-UHFFFAOYSA-N
-rxn:4:203825:224420,Cc1cc2c(cc1-c1ccc(C(=O)N3CCN(S(C)(=O)=O)CC3)cc1)C(C)(C)CCC2(C)C,QSTCDXFYQKVITC-UHFFFAOYSA-N
-rxn:4:203827:223489,CC(=O)N1CCN(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCC(O[Si](C)(C)C(C)(C)C)CC4)cc3)cc2)CC1,KTYRCKSTJUXLSV-UHFFFAOYSA-N
-rxn:4:203833:226844,O=C(c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)o1)N1CCC(N2C(=O)CSC2=O)CC1,OXULECKNMPERQF-UHFFFAOYSA-N
-rxn:4:203834:223179,CONC(=O)c1cc(-c2cccc(C(=O)N3CCC(N4C(=O)CSC4=O)C3)c2)ccc1F,VHNBONYIIPZKAX-UHFFFAOYSA-N
-rxn:4:203834:226844,O=C(c1cccc(-c2ccnc(C(=O)C(F)(F)F)c2)c1)N1CCC(N2C(=O)CSC2=O)C1,QJMMIBXQHMMABE-UHFFFAOYSA-N
-rxn:4:203840:223179,CONC(=O)c1cc(-c2ccc(C(=O)CC3C(=O)N(C)C(=O)N(C)C3=O)cc2)ccc1F,LDVJBZJJXVCEJP-UHFFFAOYSA-N
-rxn:4:203840:225094,CCCOc1cc(-c2ccc(C(=O)CC3C(=O)N(C)C(=O)N(C)C3=O)cc2)cc(Cl)c1OCC,HUUZJXBCGZTMSD-UHFFFAOYSA-N
-rxn:4:203840:226844,CN1C(=O)C(CC(=O)c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2)C(=O)N(C)C1=O,APAKHLDIDUBGNK-UHFFFAOYSA-N
-rxn:4:203865:222718,CCN1CCN(Cc2cccc(-c3cc(S(=O)(=O)N4CCNCC4)ccc3C)c2Cl)CC1,OMDBYFVCUXGEHS-UHFFFAOYSA-N
-rxn:4:203880:222817,COc1ccc(S(=O)(=O)NC2CC2)cc1-c1cccc(CC2CCCN(S(C)(=O)=O)C2)n1,FFOUDUAYXBDWLY-UHFFFAOYSA-N
-rxn:4:203887:222741,CCS(=O)(=O)N1CCN(c2ccc(-c3cc(C4CC4)nc(C4CCCNC4)c3)cc2)CC1,AJTPIJXQWWJVAW-UHFFFAOYSA-N
-rxn:4:203912:223179,CCN1C(=O)C(=Cc2cc(-c3ccc(F)c(C(=O)NOC)c3)cc(Cl)c2OC)N(C)C1=S,VHYGHGONKFMXQW-UHFFFAOYSA-N
-rxn:4:203912:226844,CCN1C(=O)C(=Cc2cc(-c3ccnc(C(=O)C(F)(F)F)c3)cc(Cl)c2OC)N(C)C1=S,NXAAWNRQFBROIW-UHFFFAOYSA-N
-rxn:4:203914:223179,CONC(=O)c1cc(-c2ccc(S(=O)(=O)N3CCN(C)CC3)cc2C(F)(F)F)ccc1F,LNQUDIFOQNSXOU-UHFFFAOYSA-N
-rxn:4:203942:226844,COc1cc(OC)c(-c2ccnc(C(=O)C(F)(F)F)c2)cc1C=C1C(=O)N(C)C(=S)N1C,QODHTDSJDJWYJA-UHFFFAOYSA-N
-rxn:4:203986:223179,CONC(=O)c1cc(-c2ccc(Cl)c(C(=O)N3CCC(N4C(=O)CSC4=O)CC3)c2)ccc1F,IYIQGTXEVUZRIR-UHFFFAOYSA-N
-rxn:4:204010:222723,CS(=O)(=O)N1CCCC(Cc2cccc(-c3cccc(NS(=O)(=O)N4CCOCC4)c3)n2)CC1,WEBAQLDIGXFDOA-UHFFFAOYSA-N
-rxn:4:204010:225290,CC(C)Oc1cc(-c2cccc(CC3CCCN(S(C)(=O)=O)CC3)n2)cc(C(F)(F)F)c1,PBWDHPUPDYWDQM-UHFFFAOYSA-N
-rxn:4:204030:223567,CC(C)Oc1ccc2c(c1)cc(-c1cccc(N3CCN(S(=O)(=O)C(C)C)CC3)c1)n2C(=O)OC(C)(C)C,QOOVCFLIBKAAOV-UHFFFAOYSA-N
-rxn:4:204031:225173,CC(C)S(=O)(=O)N1CCN(c2ccccc2-c2ccc(C(=O)N3CCCC3)cc2F)CC1,DGGQDEVGOCUXHH-UHFFFAOYSA-N
-rxn:4:204033:222604,COc1ccc(-c2ccc(Cl)c(C(=O)N3CCC(N4CCCC4)C3)c2)cc1S(=O)(=O)NC1CCCC1,AYEXGKGTRIHCTR-UHFFFAOYSA-N
-rxn:4:204034:223084,CN(C)C1CCN(c2c(-c3cnc(N4CCC(O)CC4)nc3)cccc2C(F)(F)F)CC1,DNXOUHUIWJOIHP-UHFFFAOYSA-N
-rxn:4:204046:223179,CONC(=O)c1cc(-c2ccccc2S(=O)(=O)N2CCC(N3C(=O)CSC3=O)CC2)ccc1F,PJNMWVRXHIBTIX-UHFFFAOYSA-N
-rxn:4:204046:228448,O=C1CSC(=O)N1C1CCN(S(=O)(=O)c2ccccc2-c2ccc(C(F)F)cc2Cl)CC1,OJHMWXOSEKKQMF-UHFFFAOYSA-N
-rxn:4:204074:223179,CONC(=O)c1cc(-c2cc(C)c(C)cc2S(=O)(=O)N2CCN(C(C)=O)CC2)ccc1F,TVTAZEQRWXEDLP-UHFFFAOYSA-N
-rxn:4:204111:226844,O=C1C(=Cc2ccc(-c3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3)o2)SC(=S)N1N1CCOCC1,RUIKZWWCTCABIO-UHFFFAOYSA-N
-rxn:4:204114:226844,O=C(c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)o1)N1CCCN(C2CCSCC2)CC1,HVMDVPNTDSXAJV-UHFFFAOYSA-N
-rxn:4:204115:223165,CC(=O)Nc1ccc(-c2ccccc2S(=O)(=O)N2CCCN(C3CCC3)CC2)c(Cl)c1C,CPHZRUCPAWTYGS-UHFFFAOYSA-N
-rxn:4:204115:223179,CONC(=O)c1cc(-c2ccccc2S(=O)(=O)N2CCCN(C3CCC3)CC2)ccc1F,DWXRIZTWDRZXTL-UHFFFAOYSA-N
-rxn:4:204116:223179,CONC(=O)c1cc(-c2cccc(C(=O)N3CCCN(C4CCOC4)CC3)c2)ccc1F,DMFORMJYFFSUFT-UHFFFAOYSA-N
-rxn:4:204116:225724,CN(C)CCOc1ccc(-c2cccc(C(=O)N3CCCN(C4CCOC4)CC3)c2)cc1F,JVUOTRYYKZCHCD-UHFFFAOYSA-N
-rxn:4:204121:226844,O=C(c1cc(-c2ccnc(C(=O)C(F)(F)F)c2)ccc1Cl)N1CCCN(C2CCOC2)CC1,OQVFLYHKDYTHDP-UHFFFAOYSA-N
-rxn:4:204122:222695,Cc1ccc(S(=O)(=O)N2CCCCC2c2ccc(-c3ccc(C)c(S(=O)(=O)NC4CCCC4)c3)nc2)cc1,OZJOLGJLTHXCQR-UHFFFAOYSA-N
-rxn:4:204126:222394,Cc1c(Cl)cccc1N1CCN(S(=O)(=O)c2ccc(-c3ccc(C(=O)N[C@H]4CC[C@H](O)CC4)cc3)cc2)CC1,CJHLTOKBWLICQP-DIVCQZSQSA-N
-rxn:4:204134:226482,COCCOc1ncc(-c2ccccc2S(=O)(=O)N2CCCN(C3CCOC3)CC2)cc1C,XQWUXSRBEYUNRO-UHFFFAOYSA-N
-rxn:4:204136:226844,O=C(c1cc(-c2ccc(CN3CCCC(F)(F)C3)c(N3CCOCC3)c2)ccn1)C(F)(F)F,OYLHOLYCQPGQKI-UHFFFAOYSA-N
-rxn:4:204137:226510,CC(C)COc1nccc(-c2ccc(CN3CCC(F)(F)CC3)c(N3CCOCC3)c2)c1Cl,OBRAXCXLDRKUFK-UHFFFAOYSA-N
-rxn:4:204141:226844,O=C(C1CCCCC1)N1CCC(c2cccc(-c3ccnc(C(=O)C(F)(F)F)c3)n2)CC1,MDNFPZKWSIFADD-UHFFFAOYSA-N
-rxn:4:204151:226844,O=C(c1cc(-c2cc(CN3CCC(F)(F)CC3)cc(N3CCCCC3)c2)ccn1)C(F)(F)F,XDACXPDRZIXIAF-UHFFFAOYSA-N
-rxn:4:204151:227259,COc1ccc(CSC)cc1-c1cc(CN2CCC(F)(F)CC2)cc(N2CCCCC2)c1,QVSLVWYVRKGIRL-UHFFFAOYSA-N
-rxn:4:204155:223985,COc1ccc(-c2cc(S(=O)(=O)N3CCN(c4ccccc4)CC3)c(C)cc2C)cc1S(=O)(=O)N1CCCCC1,DFNULECFEBCZFL-UHFFFAOYSA-N
-rxn:4:204169:223278,CC1CN(Cc2ccc(-c3cnn(C4CCNCC4)c3)cc2N2CCCCC2)CCO1,NYBKQLFOZXDTOM-UHFFFAOYSA-N
-rxn:4:204173:224770,Cc1cc(-c2ccc(S(=O)(=O)N3CCN(c4c(C)cccc4C)CC3)cc2C)cc(S(=O)(=O)N2CCCC2)c1,IOEGGMJFVWQCEZ-UHFFFAOYSA-N
-rxn:4:204176:223279,O=C(c1ccc(Cl)cc1)N1C(=S)C(c2ccc(-c3cnc(C4CCCN4)nc3)cc2)=NC12CCCCCC2,LFKSRXYXNDXBQK-UHFFFAOYSA-N
-rxn:4:204443:223497,COC(=O)c1cc(-c2ccc(C(C)N3CCC(O[Si](C)(C)C(C)(C)C)CC3)cc2)cc2c1cnn2C(C)C,PIUGBOWZJLWBPU-UHFFFAOYSA-N
-rxn:4:204496:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2nc3c(s2)C(=O)CN(C(=O)OC(C)(C)C)C3)cc1,QSPJBUCDIWKAQB-UHFFFAOYSA-N
-rxn:4:204507:224485,CC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2nc3c(s2)CN(C(=O)OC(C)(C)C)CC3)c1,PTOIKVALDDQIBT-UHFFFAOYSA-N
-rxn:4:204528:226844,COC(=O)C1SCC2C(=O)N(c3ccccc3-c3ccnc(C(=O)C(F)(F)F)c3)C(=S)N21,ZZMCDFQTWVTOJS-UHFFFAOYSA-N
-rxn:4:204549:223608,Cc1nn(C(=O)OC(C)(C)C)c2cc(-c3ccc(OC(F)(F)F)c(S(=O)(=O)N4CCOCC4)c3)ccc12,XYGROYZTNJGOOS-UHFFFAOYSA-N
-rxn:4:204601:222545,CC(C)(C)OC(=O)NC(C)(C)c1ccc(-c2cnc3c(c2)CN(C(=O)OC(C)(C)C)CC3)cc1,UFTYILJJNHAQOP-UHFFFAOYSA-N
-rxn:4:204644:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2cnc3c(c2)CN(C(=O)OC(C)(C)C)CCO3)cc1,JPLYGIMOHMFZFH-UHFFFAOYSA-N
-rxn:4:204689:223179,CCCN1C(=O)C(=C2SC(=S)N(CC)C2=O)c2cc(-c3ccc(F)c(C(=O)NOC)c3)ccc21,YNOUMLGMAJHAAY-UHFFFAOYSA-N
-rxn:4:204689:226844,CCCN1C(=O)C(=C2SC(=S)N(CC)C2=O)c2cc(-c3ccnc(C(=O)C(F)(F)F)c3)ccc21,HKERMGUMPIWELO-UHFFFAOYSA-N
-rxn:4:204690:226844,CCCN1C(=O)C(=C2C(=O)N(CC)c3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc32)SC1=S,MAJNTUXGHLXIPJ-UHFFFAOYSA-N
-rxn:4:204697:223093,COC(=O)C1=C(C)N=C2SC(C)C(=O)N2C1c1ccc(-c2cncc(NS(=O)(=O)C(C)C)c2)cc1,ISCFZSJROMCDBA-UHFFFAOYSA-N
-rxn:4:204700:225738,CCCCOc1cc(F)c(-c2ccc(C(=O)N3CC(N4C(=O)C5CC=CCC5C4=O)C3)o2)cc1F,IZHRFHRQBDVLRM-UHFFFAOYSA-N
-rxn:4:204700:228095,O=C(c1ccc(-c2cccc(OCCF)c2)o1)N1CC(N2C(=O)C3CC=CCC3C2=O)C1,ZHHLNBMFZHNAMW-UHFFFAOYSA-N
-rxn:4:204737:224017,COCC1CN=C(c2ccccc2Cl)c2cc(-c3ccc(N4CCCS4(=O)=O)cc3C(F)(F)F)ccc2N1C,CETQBDZCENPFJD-UHFFFAOYSA-N
-rxn:4:204738:226844,CCCN1C(=O)C(=C2SC(=S)N(C(C)C)C2=O)c2cc(-c3ccnc(C(=O)C(F)(F)F)c3)ccc21,ZXVGTCBUISHFJB-UHFFFAOYSA-N
-rxn:4:204739:226844,CCC(C)N1C(=O)C(=C2C(=O)N(CC)c3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc32)SC1=S,XRTKFRRIHBTBOD-UHFFFAOYSA-N
-rxn:4:204740:225308,CCN1C(=O)C(=C2SC(=S)N(CC(C)C)C2=O)c2cc(-c3cc(C(F)(F)F)cc(C4CC4)c3Cl)ccc21,CSPCBCZHTIFQDB-UHFFFAOYSA-N
-rxn:4:204740:226844,CCN1C(=O)C(=C2SC(=S)N(CC(C)C)C2=O)c2cc(-c3ccnc(C(=O)C(F)(F)F)c3)ccc21,GNRQSDBPISWKMX-UHFFFAOYSA-N
-rxn:4:204754:223970,Cc1ccc(-c2ccc(C(=O)N=C3SC4CS(=O)(=O)CC4N3c3ccc(Cl)cc3)cc2)cc1S(=O)(=O)N1CCC(C)CC1,IYCYUJPKPGGHCG-UHFFFAOYSA-N
-rxn:4:204754:226844,O=C(N=C1SC2CS(=O)(=O)CC2N1c1ccc(Cl)cc1)c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1,VKTVNYLEGRGUDR-UHFFFAOYSA-N
-rxn:4:204756:223179,CONC(=O)c1cc(-c2ccc(C(=O)N3CC(N4CC5CCCC5C4)C3)cc2)ccc1F,BTZGNJADLJPZLO-UHFFFAOYSA-N
-rxn:4:204774:223279,CCN1C(=O)C(=C2SC(=S)N(Cc3ccccc3Cl)C2=O)c2cc(-c3cnc(C4CCCN4)nc3)ccc21,JYLZFEFBMRGWKR-UHFFFAOYSA-N
-rxn:4:204774:226844,CCN1C(=O)C(=C2SC(=S)N(Cc3ccccc3Cl)C2=O)c2cc(-c3ccnc(C(=O)C(F)(F)F)c3)ccc21,XDYYDSZPEWHMKH-UHFFFAOYSA-N
-rxn:4:204780:223279,O=S(=O)(c1ccc(-c2cnc(C3CCCN3)nc2)cc1)N1CC(N2CC3CCCC3C2)C1,VSTSLFIXSPNILY-UHFFFAOYSA-N
-rxn:4:204785:226844,CCN1C(=O)C(=C2SC(=S)N(CC3CCCO3)C2=O)c2cc(-c3ccnc(C(=O)C(F)(F)F)c3)ccc21,HFLPYNZABUBKKU-UHFFFAOYSA-N
-rxn:4:204796:223179,CONC(=O)c1cc(-c2ccc(N3C=C(C(=O)N4CCCC4)S(=O)(=O)c4ccc(Cl)cc43)cc2)ccc1F,GTIUMPXCPUUEGU-UHFFFAOYSA-N
-rxn:4:204796:226844,O=C(C1=CN(c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2)c2cc(Cl)ccc2S1(=O)=O)N1CCCC1,IIUUAOAOWVNSKE-UHFFFAOYSA-N
-rxn:4:204798:223179,CONC(=O)c1cc(-c2cccc(N3C=C(C(=O)N4CCCC4)S(=O)(=O)c4ccc(F)cc43)c2)ccc1F,PQFYBHILISWCER-UHFFFAOYSA-N
-rxn:4:204799:224165,Cc1ccc2c(cnn2C2CCCCO2)c1-c1ccc(N2C=C(C(=O)N3CCCC3)S(=O)(=O)c3ccc(F)cc32)cc1,DHVYNJBZGYULQO-UHFFFAOYSA-N
-rxn:4:204804:226844,O=C1CCC(=O)N1C1CC2CCC(C1)N2S(=O)(=O)c1ccccc1-c1ccnc(C(=O)C(F)(F)F)c1,AJLOGLSENZZLRV-UHFFFAOYSA-N
-rxn:4:204805:223179,CONC(=O)c1cc(-c2ccc(N3C=C(C(=O)N4CCOCC4)S(=O)(=O)c4ccccc43)cc2)ccc1F,WHHWAMLNVWPHGV-UHFFFAOYSA-N
-rxn:4:204805:226017,COc1cc(-c2ccc(N3C=C(C(=O)N4CCOCC4)S(=O)(=O)c4ccccc43)cc2)ccc1OC(F)(F)F,TUKFFNDZZLOOHN-UHFFFAOYSA-N
-rxn:4:204805:226844,O=C(C1=CN(c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2)c2ccccc2S1(=O)=O)N1CCOCC1,DHFBIVSYTPGTLI-UHFFFAOYSA-N
-rxn:4:204808:223279,O=C(C1=CN(c2ccc(-c3cnc(C4CCCN4)nc3)cc2)c2cc(Cl)ccc2S1(=O)=O)N1CCOCC1,KQMFAIJPYGCLHU-UHFFFAOYSA-N
-rxn:4:204809:223179,CONC(=O)c1cc(-c2cccc(N3C=C(C(=O)N4CCOCC4)S(=O)(=O)c4ccc(F)cc43)c2)ccc1F,DMRZYGGUYKJWLD-UHFFFAOYSA-N
-rxn:4:204813:225324,CC(C)CCn1cc(-c2ccc(N3C(=O)C4CSC(c5ccc(C(C)C)cc5)N4C3=S)cc2)c(C(F)(F)F)n1,OFQFFOZATKEFBD-UHFFFAOYSA-N
-rxn:4:204816:223279,CCN1C(=O)C(=C2SC(=S)N(C(C)c3ccccc3)C2=O)c2cc(-c3cnc(C4CCCN4)nc3)ccc21,LALLHYDHRJSDKX-UHFFFAOYSA-N
-rxn:4:204831:223179,CONC(=O)c1cc(-c2ccc(N3C=C(C(=O)N4CCCCC4)S(=O)(=O)c4ccccc43)cc2)ccc1F,UCJSZUSEZSINJK-UHFFFAOYSA-N
-rxn:4:204834:223279,O=C(C1=CN(c2cccc(-c3cnc(C4CCCN4)nc3)c2)c2cc(Cl)ccc2S1(=O)=O)N1CCCCC1,BFPDEEZYNIFINB-UHFFFAOYSA-N
-rxn:4:204835:226844,O=C(C1=CN(c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2)c2cc(Cl)ccc2S1(=O)=O)N1CCCCC1,QEYVWULKFOJSEU-UHFFFAOYSA-N
-rxn:4:204836:226844,O=C(C1=CN(c2cccc(-c3ccnc(C(=O)C(F)(F)F)c3)c2)c2cc(F)ccc2S1(=O)=O)N1CCCCC1,LZXSLMUTLAYYAL-UHFFFAOYSA-N
-rxn:4:204843:223154,CCNC(=O)c1cc(-c2ccc(N3C=C(C(=O)N4CCOCC4)S(=O)(=O)c4ccc(F)cc43)cc2C)ccc1F,UJGWVXZAHVLIQK-UHFFFAOYSA-N
-rxn:4:204845:226844,Cc1cc(C)cc(N2C(=O)N(Cc3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3F)C3CS(=O)(=O)CC32)c1,AJEMKODQKNOTOB-UHFFFAOYSA-N
-rxn:4:204860:226844,COc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)c(C(=O)N2C3CCC2CC2(C3)CN(C)C(=O)CO2)c1,QEQCBRYVEANGGC-UHFFFAOYSA-N
-rxn:4:204864:226844,Cc1cc(N2C=C(C(=O)N3CCCCC3)S(=O)(=O)c3ccccc32)ccc1-c1ccnc(C(=O)C(F)(F)F)c1,MDBFXHCHPLXAQL-UHFFFAOYSA-N
-rxn:4:204865:223279,CC1CCN(C(=O)C2=CN(c3cccc(-c4cnc(C5CCCN5)nc4)c3)c3ccccc3S2(=O)=O)CC1,HUHKMOXONTYYHE-UHFFFAOYSA-N
-rxn:4:204867:226844,CC1CCN(C(=O)C2=CN(c3cccc(-c4ccnc(C(=O)C(F)(F)F)c4)c3)c3cc(Cl)ccc3S2(=O)=O)CC1,QPZAUSUOQFHDCR-UHFFFAOYSA-N
-rxn:4:204874:225139,Cc1cn(-c2ccc(-c3ccc(C4OC5(C(=O)c6ccccc6C5=O)C5C(=O)N(c6cccc([N+](=O)[O-])c6)C(=O)C45)cc3)cc2C#N)cn1,LCOVUZFCBPRIQP-UHFFFAOYSA-N
-rxn:4:204875:223279,O=C1C2C(c3ccc(-c4cnc(C5CCCN5)nc4)cc3)OC3(C(=O)c4ccccc4C3=O)C2C(=O)N1c1ccc([N+](=O)[O-])cc1,PAAAGWJKXBOBQO-UHFFFAOYSA-N
-rxn:4:204884:225172,CC(C)(C)OC(=O)N1C2CCC1c1sc(-c3cc(CN4CCOCC4)ccc3F)nc1C2,GGAUBVPROUKCLU-UHFFFAOYSA-N
-rxn:4:204893:226844,CC(C)(C)OC(=O)N1C2CCCC1c1sc(-c3ccnc(C(=O)C(F)(F)F)c3)nc1C2,ZMOHECNYIWPXPM-UHFFFAOYSA-N
-rxn:4:204895:224721,Cc1nn(CC(=O)OC(C)(C)C)c(C)c1-c1ccc2[nH]c3c(c2c1)CCN(C(=O)OC(C)(C)C)C3,BFQRYQIVNXUJAQ-UHFFFAOYSA-N
-rxn:4:205333:223529,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccnc(C#N)c3C3CC3)cc2F)CC1,UEFHRQVIQSUAFU-UHFFFAOYSA-N
-rxn:4:205559:223481,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3cnc(Oc4ccccc4Cl)nc3)c(F)c2)CC1,DPJFFDNTEBQOJZ-UHFFFAOYSA-N
-rxn:4:206358:223696,O=S(=O)(c1ccc(-c2cn(C3CCCCO3)nc2C(F)F)cc1)N1CCC2(CC1)OCCO2,STUAYYNNWIFDDZ-UHFFFAOYSA-N
-rxn:4:206445:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cc(Cl)cnc3C(=O)N3CCOCC3)ccn2)CC1,OUYPLBUWLOTYCM-UHFFFAOYSA-N
-rxn:4:206603:223588,Cc1cc(-c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)c(C)c2)cnc1C(=O)N1CCCC1,BMVAOIIBHHTVLM-UHFFFAOYSA-N
-rxn:4:206695:223557,Cc1nc(C2CCCN2S(C)(=O)=O)sc1-c1c(F)ccc2c1ccn2[Si](C(C)C)(C(C)C)C(C)C,SNWIGEQSLSTCMW-UHFFFAOYSA-N
-rxn:4:206782:223498,CC(C)c1nc(N2CCOCC2)sc1-c1ccc(C(=O)N2CCCN(C(=O)OC(C)(C)C)CC2)cc1,NIJUEQXLRKWNQF-UHFFFAOYSA-N
-rxn:4:206820:223695,O=C1C(=Cc2cccnc2)SC(=S)N1c1cccc(-c2cccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)c1,NPGCYPDGAGMUPI-UHFFFAOYSA-N
-rxn:4:206954:224377,CN1CCN(S(=O)(=O)c2ccc(-c3cc(S(N)(=O)=O)ccc3N3CCCCC3)cc2)CC1,BCMUKWIWAOVNFW-UHFFFAOYSA-N
-rxn:4:206964:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1ccc(C2CCN(S(C)(=O)=O)CC2)nc1,ANDWSHDGQAOMMZ-UHFFFAOYSA-N
-rxn:4:207018:223594,Cc1cc(-c2cc(Cl)cc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)cc(Cl)c1C(=O)N1CCN(C)CC1,QRHBCCNDNXOXLO-UHFFFAOYSA-N
-rxn:4:207058:224127,CCN1CCN(C(C)c2ccc(-c3ccc(S(=O)(=O)N4CCN(C)CC4)c(C)c3)cc2)CC1,PLQWWHAQDZRJMF-UHFFFAOYSA-N
-rxn:4:207081:225898,CC1(C)OCC2(CO1)CN(C(=O)c1cncc(-c3cnn(CCN4CCOCC4)c3)c1)C2,UPRIXZRWDZGMQE-UHFFFAOYSA-N
-rxn:4:207381:223490,COC(=O)c1c[nH]c2nc(C)c(-c3ccc(C)c(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c3)cc12,IYHUACOKCRZPEJ-UHFFFAOYSA-N
-rxn:4:207736:223832,COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1-c1ccc(OC2CC3CCC(C2)N3C)nc1,UBNVVXMFMLCPKF-UHFFFAOYSA-N
-rxn:4:207769:223279,CCCN1C(=O)C(=C2SC(=S)N(C)C2=O)c2cc(-c3cnc(C4CCCN4)nc3)ccc21,ZUPYSPFBSMRPOT-UHFFFAOYSA-N
-rxn:4:207770:223279,CCN1C(=O)C(=C2C(=O)N(CC)c3ccc(-c4cnc(C5CCCN5)nc4)cc32)SC1=S,NLFYMKBSYYQANN-UHFFFAOYSA-N
-rxn:4:207770:226844,CCN1C(=O)C(=C2C(=O)N(CC)c3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc32)SC1=S,NMKQVYZWVSSMTG-UHFFFAOYSA-N
-rxn:4:207778:223689,CCN1CCN(S(=O)(=O)c2cc(-c3cnc4c(ccn4[Si](C)(C)C(C)(C)C)c3)ccc2OC)CC1,MUAPCUJGFJSBDP-UHFFFAOYSA-N
-rxn:4:207795:224392,Cc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1cncc(C(=O)N2C3CCC2CC(=C2CC2)C3)c1,HSNLJOWGWVOELX-UHFFFAOYSA-N
-rxn:4:207818:226844,CCN1C(=O)C(=C2SC(=S)N(C(C)C)C2=O)c2cc(-c3ccnc(C(=O)C(F)(F)F)c3)ccc21,KKPFPXXDDFSZEV-UHFFFAOYSA-N
-rxn:4:207843:225354,CCOc1cc(-c2ccc3c(c2)CCCC3N2CCN(CC)CC2)cc(C(F)(F)F)c1F,MZCHWHFZOQJKSP-UHFFFAOYSA-N
-rxn:4:207846:226844,CCN1C(=O)C(=C2SC(=S)N(C3CCCC3)C2=O)c2cc(-c3ccnc(C(=O)C(F)(F)F)c3)ccc21,KEDXPYLMCJSZOH-UHFFFAOYSA-N
-rxn:4:207856:225451,CC(C)N1CCN(C2CCCc3cc(-c4ccc(SC5CCCCC5)cc4)ccc32)CC1,ZFSRKIZMHCQFHS-UHFFFAOYSA-N
-rxn:4:208216:223481,CC(=O)c1[nH]ncc1-c1ccc(S(=O)(=O)N2CCC(O[Si](C)(C)C(C)(C)C)CC2)cc1F,HCKSSQZCUMBDBV-UHFFFAOYSA-N
-rxn:4:209618:223489,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3cncc(C4CCCCO4)n3)cc2)CC1,JJCUCMACGHZEAX-UHFFFAOYSA-N
-rxn:4:209896:224022,c1cc(C23CC4CC(CC(C4)C2)C3)ccc1-c1cnn(C2CCOC3(CCOCC3)C2)c1,WDKIBKHGEJVQTL-UHFFFAOYSA-N
-rxn:4:210694:223712,COc1ccc(-c2cnn(C)c2C23COC(C)C2O3)cc1C12CC3CC(CC(C3)C1)C2,XDFNHBBNJJUTKD-UHFFFAOYSA-N
-rxn:4:210784:223529,CN1CCc2c(cc([N+](=O)[O-])cc2-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)c(F)c2)C1,JINZXVFHNQLEQE-UHFFFAOYSA-N
-rxn:4:211035:222537,CN1CC2CN(c3ccc(-c4cc(C5CCCC5)nc(C5CCCNC5)c4)cc3)CC2C1,CQTILJOWISBTNR-UHFFFAOYSA-N
-rxn:4:211060:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc2c(c1)CCCC2N1CCN(C)CC1,GMOVSISHWOIIKR-UHFFFAOYSA-N
-rxn:4:211089:225000,N#CC1=C2CCCCCN2c2cc(-c3ccc(CN4CCCCC4)c(F)c3)ccc2S1(=O)=O,AYKHXQJASMLLDX-UHFFFAOYSA-N
-rxn:4:211099:223569,Cc1ccc(C2=NN3C(C2)c2cc(-c4cnc5c(ccn5[Si](C(C)C)(C(C)C)C(C)C)c4F)ccc2OC32CCCC2)cc1,KOAAXOIPWHKCLH-UHFFFAOYSA-N
-rxn:4:211099:225208,Cc1ccc(C2=NN3C(C2)c2cc(-c4cnc(N5CCCC(C)C5)nc4C)ccc2OC32CCCC2)cc1,NYTLDZVXGJVLFY-UHFFFAOYSA-N
-rxn:4:211100:225677,CC1CCC2(CC1)Oc1ccc(-c3ccc(C4CCCCC4)nc3F)cc1C1CC(c3ccc(Cl)cc3)=NN12,VNMDNGJIJBIULD-UHFFFAOYSA-N
-rxn:4:211101:222986,Cc1ccc(C2=NN3C(C2)c2cc(-c4cc(C)nc(C5CCCNC5)c4)ccc2OC32CCC(C)CC2)cc1,CIIXPOGWKBKLIZ-UHFFFAOYSA-N
-rxn:4:212569:226844,O=C(CSC1CCCC1)N1CC(Cn2cc(-c3ccnc(C(=O)C(F)(F)F)c3)cn2)C1,JESCVBGTMPKLPL-UHFFFAOYSA-N
-rxn:4:212571:226844,Cn1cc(-c2ccnc(C(=O)C(F)(F)F)c2)c(OCC2CN(C(=O)OC(C)(C)C)C2)n1,OGGRNWWYAPPJGT-UHFFFAOYSA-N
-rxn:4:212593:222898,COC(=O)CNC(=O)c1ccc(-c2ccc(C(=O)N(C)C3CN(C(=O)OC(C)(C)C)C3)cn2)cc1,MDQASYBQBGXEHJ-UHFFFAOYSA-N
-rxn:4:212593:226844,CN(C(=O)c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)nc1)C1CN(C(=O)OC(C)(C)C)C1,AZOKMGYMLDCZCX-UHFFFAOYSA-N
-rxn:4:212594:223279,O=C(CSC1CCCC1)N1CCC(Oc2ncc(-c3cnc(C4CCCN4)nc3)cn2)C1,FFTHLZDNQUEZJB-UHFFFAOYSA-N
-rxn:4:212594:226844,O=C(CSC1CCCC1)N1CCC(Oc2ncc(-c3ccnc(C(=O)C(F)(F)F)c3)cn2)C1,CSSCXIVKYWXWGE-UHFFFAOYSA-N
-rxn:4:212604:224797,CCCCOc1c(F)c(F)c(-c2ccc(CSC3=NCCN3C(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)c(F)c1F,KQOKUEZRRVJAKY-UHFFFAOYSA-N
-rxn:4:212608:226844,CC(=O)OC(C)(C)C(=O)N1CCCC(Oc2ncc(-c3ccnc(C(=O)C(F)(F)F)c3)cn2)C1,UTMSRZQEGOMPNE-UHFFFAOYSA-N
-rxn:4:212618:225984,CC(C)(C)OC(=O)N1CCCC(COc2cnc(-c3cnc(Cl)c(N4CCOCC4)c3)cn2)C1,QHNPLMFHSJYTRT-UHFFFAOYSA-N
-rxn:4:212619:224659,CN1CCN(C(=O)c2cccc(-c3cnc(OCC4CCCN(C(=O)OC(C)(C)C)C4)nc3)c2)CC1,VKWBDAYQILQAMV-UHFFFAOYSA-N
-rxn:4:212619:226844,CC(C)(C)OC(=O)N1CCCC(COc2ncc(-c3ccnc(C(=O)C(F)(F)F)c3)cn2)C1,NUOKHJPKZLJKRI-UHFFFAOYSA-N
-rxn:4:212635:223279,Cn1ncc(-c2cnc(C3CCCN3)nc2)c1CN(C(=O)OC(C)(C)C)C1CCCC1,ZSBLWBXYLKWPNS-UHFFFAOYSA-N
-rxn:4:212636:223179,CONC(=O)c1cc(-c2cnn(CCC3CCN(C(=O)OC(C)(C)C)CC3)c2)ccc1F,CLYSHXLNAFKPGC-UHFFFAOYSA-N
-rxn:4:212638:222714,CC(C)(C)OC(=O)Nc1cc(F)c(F)c(-c2cnc(OC3CCN(CCCc4ccccc4)CC3)nc2)c1,LLSZIDGJFPPPBO-UHFFFAOYSA-N
-rxn:4:212639:226645,CC(C)(C)OC(=O)N1CCN(C(=O)Cc2cncc(-c3ccnc(N4CCOCC4)c3)c2)CC1,RQLAWSFVHRHETD-UHFFFAOYSA-N
-rxn:4:212641:225950,COCCN1C(=O)CN(C2CCN(C(=O)c3ccc(-c4cnc(-n5cc(C)cn5)nc4C)o3)CC2)C1=O,HDMYNFUNTPWFPU-UHFFFAOYSA-N
-rxn:4:212641:226262,CCCCOc1cccc(-c2ccc(C(=O)N3CCC(N4CC(=O)N(CCOC)C4=O)CC3)o2)c1Cl,PHZSVNIQFXQGKM-UHFFFAOYSA-N
-rxn:4:212646:226844,Cn1ncc(-c2ccnc(C(=O)C(F)(F)F)c2)c1CN(C(=O)OC(C)(C)C)C1CCOCC1,YESGWHKIOLJKAX-UHFFFAOYSA-N
-rxn:4:212647:223179,CONC(=O)c1cc(-c2cnc(CCC3CCCCN3C(=O)OC(C)(C)C)cn2)ccc1F,HTFZUNMVYJDRTJ-UHFFFAOYSA-N
-rxn:4:212648:223279,Cn1cc(-c2cnc(C3CCCN3)nc2)c(OCC2CCN(C(=O)OC(C)(C)C)CC2)n1,LGXPCEWYBQPNBB-UHFFFAOYSA-N
-rxn:4:212649:223602,CCC(C)(C)C(=O)N1CCCC(COc2ncc(-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3Cl)cn2)C1,SFVLXQKKFKVAQZ-UHFFFAOYSA-N
-rxn:4:212649:224796,CCC(C)(C)C(=O)N1CCCC(COc2ncc(-c3cncc(S(=O)(=O)OCC(C)(C)C)c3)cn2)C1,UPJFPBYZHRQJSR-UHFFFAOYSA-N
-rxn:4:212650:223279,CC(C)(C)CC(=O)N1CCCC(COc2ncc(-c3cnc(C4CCCN4)nc3)cn2)C1,SBMPPPSOJHADBU-UHFFFAOYSA-N
-rxn:4:212652:227480,CCCOc1nccc(-c2cc(C(=O)OC)cc(N3CCN(C(=O)OC(C)(C)C)CC3)n2)c1Cl,QQLZXJFIOLKGFS-UHFFFAOYSA-N
-rxn:4:212655:223279,COC(=O)c1cc(-c2cnc(C3CCCN3)nc2)cnc1N1CCN(C(=O)OC(C)(C)C)CC1,IYIODGJYLVZPSO-UHFFFAOYSA-N
-rxn:4:212663:227500,CCN(C)c1ncc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2C(=O)OC)cc1Cl,PDPXCKDWQBEKEF-UHFFFAOYSA-N
-rxn:4:212676:225095,CCOC(=O)c1ccc(OCC)c(-c2ccccc2CC(=O)N2CCC(COc3cc(C)ncn3)CC2)c1,DIYOSAITOYTOPG-UHFFFAOYSA-N
-rxn:4:212685:222465,COC(=O)c1ccc(N2CCN(S(=O)(=O)c3ccc(-c4cc(C5CCCCC5)nc(C5CCCNC5)c4)cc3)CC2)c([N+](=O)[O-])c1,RDRXSGIEWXIOFK-UHFFFAOYSA-N
-rxn:4:212685:223179,CONC(=O)c1cc(-c2ccc(S(=O)(=O)N3CCN(c4ccc(C(=O)OC)cc4[N+](=O)[O-])CC3)cc2)ccc1F,JGUVLAASPVLWQI-UHFFFAOYSA-N
-rxn:4:212685:226844,COC(=O)c1ccc(N2CCN(S(=O)(=O)c3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3)CC2)c([N+](=O)[O-])c1,SIQMVEUQFMZSKR-UHFFFAOYSA-N
-rxn:4:212690:226844,Cn1ncc(-c2ccnc(C(=O)C(F)(F)F)c2)c1CN(C(=O)OC(C)(C)C)C1CCCCC1,ZANDVUPLCKPZRZ-UHFFFAOYSA-N
-rxn:4:212691:223179,CONC(=O)c1cc(-c2ccc(C(=O)N(C)C3CCN(C(=O)OC(C)(C)C)CC3)cn2)ccc1F,PLCUPEKCMQVGRR-UHFFFAOYSA-N
-rxn:4:212691:224719,CC(C)c1nn(C(=O)OC(C)(C)C)cc1-c1ccc(C(=O)N(C)C2CCN(C(=O)OC(C)(C)C)CC2)cn1,ZOCJBCZINSHMPT-UHFFFAOYSA-N
-rxn:4:212691:227658,CN(C)c1cc(Cl)c(-c2ccc(C(=O)N(C)C3CCN(C(=O)OC(C)(C)C)CC3)cn2)cc1F,FDYPZDMLOBTDTF-UHFFFAOYSA-N
-rxn:4:212693:222789,CC1CN(C(=O)OC(C)(C)C)CCN1C(=O)Cc1cncc(-c2cc(F)ccc2NC(=O)OC(C)(C)C)c1,HPMOYCLYYKYGCC-UHFFFAOYSA-N
-rxn:4:212704:223179,CONC(=O)c1cc(-c2cccc(N(C)CC3CCN(C(=O)OC(C)(C)C)CC3)n2)ccc1F,PVHJYWQHAFGMRV-UHFFFAOYSA-N
-rxn:4:212709:223179,CCOC(=O)c1c(-c2ccc(F)c(C(=O)NOC)c2)c(CN2CCC(=Cc3ccccc3)CC2)nn1C,UBLGNISRPVVZPO-UHFFFAOYSA-N
-rxn:4:212711:223179,CONC(=O)c1cc(-c2ccc(C(=O)N3CCC(COc4ccc(C(C)(C)C)nn4)CC3)o2)ccc1F,OXKJOCKZCANHSB-UHFFFAOYSA-N
-rxn:4:212711:224063,CC1CCCN(c2cc(-c3ccc(C(=O)N4CCC(COc5ccc(C(C)(C)C)nn5)CC4)o3)cc(C3CC3)c2)C1,XJCGSESHFYMNNA-UHFFFAOYSA-N
-rxn:4:212720:226113,CC(C)CC(=O)c1ccc(-c2ccc(C(=O)N(C)C3CCCN(C(=O)OC(C)(C)C)CC3)cn2)cc1,ORZMQYDTNXXXMA-UHFFFAOYSA-N
-rxn:4:212721:226523,CC(C)C(=O)N1CCN(c2cc(C(=O)OC(C)(C)C)cc(-c3ccc(C(=O)OC(C)(C)C)s3)n2)CC1,QGAGQZQBVAYQJI-UHFFFAOYSA-N
-rxn:4:212721:226659,CC(C)C(=O)N1CCN(c2cc(C(=O)OC(C)(C)C)cc(-c3cnc(N4CCCC4)c(Cl)c3)n2)CC1,ZFEDPJNXKXFUTI-UHFFFAOYSA-N
-rxn:4:212725:223179,CONC(=O)c1cc(-c2ccc(C(=O)N3CCC(COc4ccc(C(C)(C)C)nn4)CC3)cc2)ccc1F,LJRCYTJPQKGGDI-UHFFFAOYSA-N
-rxn:4:212738:222933,CC(C)(C)OC(=O)Nc1ncc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)c(N3CCOCC3)c2)cn1,GHVZYWHCTSWENF-UHFFFAOYSA-N
-rxn:4:212742:226844,CC1CN(C(=O)OC(C)(C)C)CCN1Cc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1N1CCCC1,AWGYPPDPMMOTOD-UHFFFAOYSA-N
-rxn:4:212743:223179,CONC(=O)c1cc(-c2ccc(N3CCN(CC4CCN(C(=O)OC(C)(C)C)CC4)CC3)cc2)ccc1F,HBDOUOFTGASZLV-UHFFFAOYSA-N
-rxn:4:212743:226844,CC(C)(C)OC(=O)N1CCC(CN2CCN(c3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3)CC2)CC1,SFDCXSCLBMIFHA-UHFFFAOYSA-N
-rxn:4:212746:227484,CC1CN(Cc2ccc(-c3cccc(OCC(F)F)c3)cc2N2CCOCC2)CCN1C(=O)OC(C)(C)C,PYGDXEKJRNCVQT-UHFFFAOYSA-N
-rxn:4:212747:223279,CC1CN(C(=O)OC(C)(C)C)CCN1Cc1ccc(-c2cnc(C3CCCN3)nc2)cc1N1CCOCC1,XDIHNAIWXNZVAR-UHFFFAOYSA-N
-rxn:4:212749:223279,CC1CN(Cc2ccc(-c3cnc(C4CCCN4)nc3)cc2N2CCCCC2)CCN1C(=O)OC(C)(C)C,ZUKIRRAOBYTCPM-UHFFFAOYSA-N
-rxn:4:212768:224017,CCOC(=O)c1nc(-c2ccc(N3CCCS3(=O)=O)cc2C(F)(F)F)n2c1CN(C(=O)OC(C)(C)C)CC2,RELQJBOPURHALS-UHFFFAOYSA-N
-rxn:4:212769:222935,CCOC(=O)c1nc2n(c1-c1ccc(CNS(=O)(=O)N(C)C)cc1)CCN(C(=O)OC(C)(C)C)C2,PXALGFOCNKNIAC-UHFFFAOYSA-N
-rxn:4:212770:225568,CCOC(=O)c1nn2c(c1-c1ccc(C(C)(C)C(=O)OC)cc1)CN(C(=O)OC(C)(C)C)CC2,QFBTUNMWQUOSDK-UHFFFAOYSA-N
-rxn:4:212775:226844,COCCn1c(=NC(=O)CN2C(=O)CCC2=O)sc2cc(-c3ccnc(C(=O)C(F)(F)F)c3)ccc21,KQUYOQGGTNRVMD-UHFFFAOYSA-N
-rxn:4:212784:226844,CCOC(=O)N1CCN(C(=O)Cn2ccc3cc(-c4ccnc(C(=O)C(F)(F)F)c4)ccc32)CC1,ZAUARUBJPRCMRM-UHFFFAOYSA-N
-rxn:4:212799:226844,CN(C)CCN(C(=O)C1CCCCC1)c1nc2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2s1,IVGFICQCRRSATF-UHFFFAOYSA-N
-rxn:4:212806:226844,COCCn1c(=NC(=O)c2ccc(N3C(=O)CCC3=O)cc2)sc2cc(-c3ccnc(C(=O)C(F)(F)F)c3)ccc21,MAYNYIGXYNRREE-UHFFFAOYSA-N
-rxn:4:212830:223179,CONC(=O)c1cc(-c2ccc3[nH]c(C(=O)N(C)[C@@H]4CCCN(C(=O)OC(C)(C)C)C4)cc3c2)ccc1F,XXAZXZHGKCDHKH-HXUWFJFHSA-N
-rxn:4:212830:227464,CCCCSc1ncc(-c2ccc3[nH]c(C(=O)N(C)[C@@H]4CCCN(C(=O)OC(C)(C)C)C4)cc3c2)cn1,NBQYFBYKCSVHGO-JOCHJYFZSA-N
-rxn:4:212839:223179,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4ccc(F)c(C(=O)NOC)c4)ccn23)CC1,VQBKYZDDLRMETI-UHFFFAOYSA-N
-rxn:4:212849:223141,O=C(c1ccccc1-c1cncc(C2CCNCC2)c1)N(Cc1ccccc1)c1nnc(C23CC4CC(CC(C4)C2)C3)s1,ROVYJVUKYZVUIQ-UHFFFAOYSA-N
-rxn:4:212935:224401,FC(F)(F)c1cnc(N2CC(COc3cccnc3)C2)c(-c2ccc(C3COCCO3)c(C(F)(F)F)c2)c1,XJMZIRFJHREBIY-UHFFFAOYSA-N
-rxn:4:212943:223179,CCOC(=O)N1CCN(c2ncc(-c3ccc(F)c(C(=O)NOC)c3)cc2C(F)(F)F)CC1,JMEOTXGVHPYAHD-UHFFFAOYSA-N
-rxn:4:212944:223179,CCOC(=O)N1CCN(c2ncc(C(F)(F)F)cc2-c2ccc(F)c(C(=O)NOC)c2)CC1,OOXJHGIJXJNFBA-UHFFFAOYSA-N
-rxn:4:212967:225172,O=C(C1CC1)N1CCC(COc2ncc(-c3cc(CN4CCOCC4)ccc3F)cn2)CC1,REFKFZPEMFXEHK-UHFFFAOYSA-N
-rxn:4:212988:223279,CC(C)(C)OC(=O)N1CCN(C(=O)c2csc(-c3cnc(C4CCCN4)nc3)n2)CC1,XHPUGKTZQFYWIU-UHFFFAOYSA-N
-rxn:4:212989:223279,CC(C)(C)OC(=O)N1CCN(C(=O)c2cnc(-c3cnc(C4CCCN4)nc3)s2)CC1,PKTVIRLPBQPMBU-UHFFFAOYSA-N
-rxn:4:212991:223179,CONC(=O)c1cc(-c2cnc(OCC3CCN(S(=O)(=O)C4CC4)CC3)nc2)ccc1F,SDOBEBROTQGZOD-UHFFFAOYSA-N
-rxn:4:212991:225207,Cc1c(-c2cnc(OCC3CCN(S(=O)(=O)C4CC4)CC3)nc2)cc(C2CC2)cc1C(F)(F)F,HAOXSBKERMTHDI-UHFFFAOYSA-N
-rxn:4:212991:226844,O=C(c1cc(-c2cnc(OCC3CCN(S(=O)(=O)C4CC4)CC3)nc2)ccn1)C(F)(F)F,GQXOXTCKYILADU-UHFFFAOYSA-N
-rxn:4:212993:226844,CCOC(=O)C1(C)CCN(C(=O)c2ncc(-c3ccnc(C(=O)C(F)(F)F)c3)cn2)CC1,BIWKSPMEAZZGBL-UHFFFAOYSA-N
-rxn:4:213010:223579,CC1CN(C(=O)OC(C)(C)C)CCN1c1ccc(-c2cnn(C[C@@H]3CN(C(=O)OC(C)(C)C)CCO3)c2)cc1,KUYXWBMPDXRCKC-QBGQUKIHSA-N
-rxn:4:213010:225979,CC(C)(C)OC(=O)N1CCO[C@H](Cn2cc(-c3cnc(N4CCOCC4)c(Cl)c3)cn2)C1,RBBRSZIIGVQJNI-SFHVURJKSA-N
-rxn:4:213038:223279,CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(-c3cnc(C4CCCN4)nc3)c[nH]2)CC1,RSUCIBFGPFJSFX-UHFFFAOYSA-N
-rxn:4:213038:226844,CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(-c3ccnc(C(=O)C(F)(F)F)c3)c[nH]2)CC1,IJMSEFAUUHFUQH-UHFFFAOYSA-N
-rxn:4:213039:226844,CC(C)(C)OC(=O)N1CCC(Oc2cncc(-c3ccnc(C(=O)C(F)(F)F)c3)n2)CC1,ODYPGGCDBRERDL-UHFFFAOYSA-N
-rxn:4:213041:222476,Cc1cccc(CNC(=O)c2cc(-c3cnc(OC4CCN(C(=O)OC(C)(C)C)CC4)cn3)ccc2Cl)c1,HPDHSLZNHGGJDB-UHFFFAOYSA-N
-rxn:4:213045:226844,O=C(C1CCC1)N1CCCC(COc2ncc(-c3ccnc(C(=O)C(F)(F)F)c3)cn2)C1,VJNOIGPQJGENIZ-UHFFFAOYSA-N
-rxn:4:213062:225285,CC(C)Cc1ncc(-c2cnc(OC3CCN(C(=O)Cc4ccc(F)cc4F)CC3)nc2)cc1C(F)(F)F,JZCQIPIMVFFISO-UHFFFAOYSA-N
-rxn:4:213071:226844,CC(C)(C)OC(=O)N1CCC(Cn2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)n2)CC1,OWFPCTWWELOLBC-UHFFFAOYSA-N
-rxn:4:213077:226844,CC(C)(C)OC(=O)N1CCC(n2cc(-c3ccnc(C(=O)C(F)(F)F)c3)c(C(F)F)n2)CC1,KKGYJAZYYALUCC-UHFFFAOYSA-N
-rxn:4:213080:223528,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3cncc(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c3)ccc2F)CC1,NFJQHXQYYQRDNO-UHFFFAOYSA-N
-rxn:4:213094:223179,CONC(=O)c1cc(-c2cccc(C#N)c2N2CCN(C(=O)OC(C)(C)C)CC2)ccc1F,WRKASSQCNMNRRJ-UHFFFAOYSA-N
-rxn:4:213097:226844,CC(C)(C)OC(=O)N1CCC(C#N)(c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cn2)CC1,JGUQJLFOKQWCPA-UHFFFAOYSA-N
-rxn:4:213098:226844,CC(C)(C)OC(=O)N1CCN(c2cc(C#N)cc(-c3ccnc(C(=O)C(F)(F)F)c3)c2)CC1,AZZQMEFGPZUJIC-UHFFFAOYSA-N
-rxn:4:213099:223179,CONC(=O)c1cc(-c2cnn(C3CCN(C(=O)OC(C)(C)C)CC3)c2C(F)(F)F)ccc1F,SNKMPOGHBXPTST-UHFFFAOYSA-N
-rxn:4:213100:226844,CC(C)(C)OC(=O)N1CCC(n2cc(-c3ccnc(C(=O)C(F)(F)F)c3)c(C(F)(F)F)n2)CC1,APPBHAZVLMXIPU-UHFFFAOYSA-N
-rxn:4:213123:226132,Cc1cc(C2(C#N)CC2)ccc1-c1ccccc1CC(=O)N1CCN(c2ccnc(C(F)(F)F)c2)C(=O)C1,LFXLEPOCEQRPSW-UHFFFAOYSA-N
-rxn:4:213127:223179,CONC(=O)c1cc(-c2ccnc(CN3CCN(C(=O)OC(C)(C)C)CC3)c2)ccc1F,WWKXFLWJXWDIEO-UHFFFAOYSA-N
-rxn:4:213129:226844,COc1nc(-c2ccnc(C(=O)C(F)(F)F)c2)cn1C1CCN(C(=O)OC(C)(C)C)CC1,RCSGUBRKDDOOAO-UHFFFAOYSA-N
-rxn:4:213130:226844,CC(C)(C)OC(=O)N1CCN(Cc2cncc(-c3ccnc(C(=O)C(F)(F)F)c3)c2)CC1,NABDEEWSEPQJGY-UHFFFAOYSA-N
-rxn:4:213131:223179,CONC(=O)c1cc(-c2cnc(OCC3CCN(C(=O)C(C)(C)C)CC3)nc2)ccc1F,JIPPSULOJGVOSX-UHFFFAOYSA-N
-rxn:4:213134:225877,CCC(C)(C)C(=O)N1CCC(Oc2ncc(-c3ccc(Cl)cc3N3CCOCC3)cn2)CC1,VLZKAORHVNDNAK-UHFFFAOYSA-N
-rxn:4:213135:226844,CC(C)(C)CC(=O)N1CCC(Oc2ncc(-c3ccnc(C(=O)C(F)(F)F)c3)cn2)CC1,PDSSZQAHUHFBRV-UHFFFAOYSA-N
-rxn:4:213136:223731,Cc1ccc(C(C)C)c(OCc2cccc(-c3cnc(OCC4CCCN(CC5CCCO5)C4)nc3)c2)c1,COIMIHBWOQTGPM-UHFFFAOYSA-N
-rxn:4:213137:222809,CCOC(=O)c1nc(N2CCN(C(C)C)CC2)ccc1-c1cc(Cl)ncc1NC(=O)OC(C)(C)C,WKLRCKSZFOXEPK-UHFFFAOYSA-N
-rxn:4:213138:226645,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3ccnc(N4CCOCC4)c3)cnc2F)CC1,JMADYYPOQJCSTI-UHFFFAOYSA-N
-rxn:4:213140:223179,CONC(=O)c1cc(-c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)cc([N+](=O)[O-])c2)ccc1F,BWUZZVHSKICRIU-UHFFFAOYSA-N
-rxn:4:213140:226844,CC(C)(C)OC(=O)N1CCN(c2cc(-c3ccnc(C(=O)C(F)(F)F)c3)cc([N+](=O)[O-])c2)CC1,FPGPEFQWQJPHBP-UHFFFAOYSA-N
-rxn:4:213141:223179,CONC(=O)c1cc(-c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)ccc2[N+](=O)[O-])ccc1F,XTXAJZDIFUJMDE-UHFFFAOYSA-N
-rxn:4:213142:223179,CONC(=O)c1cc(-c2cccc(N3CCN(C(=O)OC(C)(C)C)CC3)c2[N+](=O)[O-])ccc1F,FCIOBZBHGZALDC-UHFFFAOYSA-N
-rxn:4:213144:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cc([N+](=O)[O-])ccc3N3CCN(C(=O)OC(C)(C)C)CC3)ccn2)CC1,KDNGBICDXZGQCQ-UHFFFAOYSA-N
-rxn:4:213144:225197,CC(C)(C)OC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2-c2cc(F)c(OC3CCCC3)c(Cl)c2)CC1,FJQGDJZXOQHKAO-UHFFFAOYSA-N
-rxn:4:213147:223279,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cncc(-c3cnc(C4CCCN4)nc3)c2)CC1,IURBPQRWBDTXCV-UHFFFAOYSA-N
-rxn:4:213153:225284,CC(C)Cc1cc(-c2ccc(C(=O)N3CCN(Cc4ccccc4)CC3)cc2[N+](=O)[O-])cnc1C(F)(F)F,PYDSENXNIMETTL-UHFFFAOYSA-N
-rxn:4:213158:225145,COc1cc(=O)n(C)cc1C(=O)N1CCC(Oc2ccncc2-c2ccc(N3CCOCC3)c(C#N)c2)C1,RANSZSAZRMFQMS-UHFFFAOYSA-N
-rxn:4:213160:223597,COc1ccccc1S(=O)(=O)N1CCC(Oc2ncc(-c3ccc(OCCN4CCC5(CC4)OCCO5)c(Cl)c3)cn2)CC1,JYOCDAUXXRDHIX-UHFFFAOYSA-N
-rxn:4:213164:223179,CONC(=O)c1cc(-c2cnc(OCC3CCCN(C(=O)C4CCCC4)C3)nc2)ccc1F,JOKJTGQROKDXPV-UHFFFAOYSA-N
-rxn:4:213164:226844,O=C(C1CCCC1)N1CCCC(COc2ncc(-c3ccnc(C(=O)C(F)(F)F)c3)cn2)C1,ZQZIKHPXZKKEEI-UHFFFAOYSA-N
-rxn:4:213165:226844,COc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1-c1ccnc(C(=O)C(F)(F)F)c1,GFGIWUHYTSZXEC-UHFFFAOYSA-N
-rxn:4:213170:224566,COC(=O)C1(c2ccc(-c3cccc(S(=O)(=O)N4CCN(CCc5ccccn5)CC4)c3)cc2)CCCC1,IJQQEPFOWTWFJG-UHFFFAOYSA-N
-rxn:4:213192:226844,CC(=O)N1CCN(c2cc(C(=O)OC(C)(C)C)cc(-c3ccnc(C(=O)C(F)(F)F)c3)n2)CC1,WEBIXAKXSXMBCD-UHFFFAOYSA-N
-rxn:4:213195:223574,CC(C)(C)OC(=O)N1CCN(Cc2cccc(-c3cnc(OCC4CCN(C(=O)C5CCOCC5)CC4)nc3)c2)CC1,BNSJHCMFEZBJJD-UHFFFAOYSA-N
-rxn:4:213196:223179,CONC(=O)c1cc(-c2cnc(OCC3CCCN(C(=O)C4CCOCC4)C3)nc2)ccc1F,CEWMCSPPYLFVFE-UHFFFAOYSA-N
-rxn:4:213196:226844,O=C(C1CCOCC1)N1CCCC(COc2ncc(-c3ccnc(C(=O)C(F)(F)F)c3)cn2)C1,TYXBANZKLUZPJW-UHFFFAOYSA-N
-rxn:4:213198:223776,CCn1cc(S(=O)(=O)N2CCSC2c2ccc(OC)c(-c3ccc4c(c3)CN(C(=O)OC(C)(C)C)CCO4)c2)nc1C,RUIOXQHDZMBAQX-UHFFFAOYSA-N
-rxn:4:213202:225223,Cc1ccc(OCC2CCN(S(=O)(=O)c3ccccc3-c3cnc(N4CCC(C)CC4)cc3F)CC2)nn1,JXYGECGSPOBRQJ-UHFFFAOYSA-N
-rxn:4:213213:223279,CN(c1cccc(-c2cnc(C3CCCN3)nc2)n1)C1CCN(C(=O)OC(C)(C)C)CC1,UFHPBDHNDGVTIZ-UHFFFAOYSA-N
-rxn:4:213213:224128,CN(C(=O)c1ccc(-c2cccc(N(C)C3CCN(C(=O)OC(C)(C)C)CC3)n2)cc1)C1CCCCC1,INUGLVVPUOXYAB-UHFFFAOYSA-N
-rxn:4:213214:223279,CCN1CCN(c2cc(C(=O)OC(C)(C)C)cc(-c3cnc(C4CCCN4)nc3)n2)CC1,BYBYRRZLCIZZJZ-UHFFFAOYSA-N
-rxn:4:213214:226844,CCN1CCN(c2cc(C(=O)OC(C)(C)C)cc(-c3ccnc(C(=O)C(F)(F)F)c3)n2)CC1,BGWHOYWPYUOCDP-UHFFFAOYSA-N
-rxn:4:213215:223179,CONC(=O)c1cc(-c2cnc(OCC3CCN(CC4CCOCC4)CC3)nc2)ccc1F,XHQLWNZQCOQRHT-UHFFFAOYSA-N
-rxn:4:213216:223179,CONC(=O)c1cc(-c2cnc(OCC3CCCN(CC4CCCCO4)C3)nc2)ccc1F,ANPZWGFNQWIAMQ-UHFFFAOYSA-N
-rxn:4:213216:223279,c1nc(OCC2CCCN(CC3CCCCO3)C2)ncc1-c1cnc(C2CCCN2)nc1,YZQHNHANOFADKQ-UHFFFAOYSA-N
-rxn:4:213216:226844,O=C(c1cc(-c2cnc(OCC3CCCN(CC4CCCCO4)C3)nc2)ccn1)C(F)(F)F,NQXYOFOEBGHHAY-UHFFFAOYSA-N
-rxn:4:213219:224389,CCN1CCN(c2ccc(-c3ccc(-n4ccc(C)n4)cc3C(F)(F)F)c(C(=O)OC(C)(C)C)n2)CC1,FQOSMEAEIXHUPN-UHFFFAOYSA-N
-rxn:4:213221:223223,CCNC(=O)c1cccc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3C)c([N+](=O)[O-])c2)c1,BNDJUUOYLCHHAR-UHFFFAOYSA-N
-rxn:4:213228:222430,CC1CN(S(=O)(=O)c2cncc(-c3ccc(S(=O)(=O)Nc4ccc(OC(F)(F)F)cc4)cc3)c2)CCN1C(=O)OC(C)(C)C,RWEAOAKRVVMCTN-UHFFFAOYSA-N
-rxn:4:213228:224575,CC1CCN(c2ccc(-c3cncc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)C(C)C4)c3)c(C#N)c2)CC1,WANWEUBNIVHDSG-UHFFFAOYSA-N
-rxn:4:213228:226844,CC1CN(S(=O)(=O)c2cncc(-c3ccnc(C(=O)C(F)(F)F)c3)c2)CCN1C(=O)OC(C)(C)C,HTIBCPQMFIGLLG-UHFFFAOYSA-N
-rxn:4:213243:223179,CONC(=O)c1cc(-c2ccc(CN3CCN(CC(=O)N4CCOCC4)CC3)cc2)ccc1F,KEENSINSASYXEA-UHFFFAOYSA-N
-rxn:4:213243:226844,O=C(CN1CCN(Cc2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2)CC1)N1CCOCC1,KNYKMGADTJXNJG-UHFFFAOYSA-N
-rxn:4:213244:223179,CONC(=O)c1cc(-c2ccc(CN3CCN(CC(F)(F)F)CC3)c(N3CCCC3)c2)ccc1F,WSJQZYOXXLSPBM-UHFFFAOYSA-N
-rxn:4:213259:223079,CC(C)NS(=O)(=O)c1cccc(-c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)C(C)(C)C3)cn2)c1,DNEZHTIWTJXHFR-UHFFFAOYSA-N
-rxn:4:213263:222909,CN(C)c1ccc(C(=S)N2CCN(C(=S)c3cccc(-c4ccnc(NC(=O)OC(C)(C)C)c4)c3)CC2)cc1,LTGBBUZQJLGDOI-UHFFFAOYSA-N
-rxn:4:213265:223179,CONC(=O)c1cc(-c2ccc(C(=O)N3CCC(N4CCC(Oc5nccs5)CC4)CC3)o2)ccc1F,KNILGXHYWAFJNK-UHFFFAOYSA-N
-rxn:4:213265:223279,O=C(c1ccc(-c2cnc(C3CCCN3)nc2)o1)N1CCC(N2CCC(Oc3nccs3)CC2)CC1,KSLYVOPQHHDRKB-UHFFFAOYSA-N
-rxn:4:213266:223279,CC(C)N1CCN(c2cc(C(=O)OC(C)(C)C)cc(-c3cnc(C4CCCN4)nc3)n2)CC1,HQHVWRVKFRNBDW-UHFFFAOYSA-N
-rxn:4:213269:223787,COc1ccc(-c2ccc(OCCCN3CCN(C)CC3)c(F)c2)c(C(=O)N2CCC(n3nc(C4CC4)ccc3=O)CC2)c1,NTIRJUVCQODBRG-UHFFFAOYSA-N
-rxn:4:213271:226844,COc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)c(C(=O)N2CCC(N3CC(=O)N(C4CC4)C3=O)CC2)c1,GFNITBDGVLCEOU-UHFFFAOYSA-N
-rxn:4:213282:223279,O=C(C1CC(=O)N(c2cccc(-c3cnc(C4CCCN4)nc3)c2)C1)N1CCC(Oc2ccncc2)CC1,MOZCLCBTOHZQBW-UHFFFAOYSA-N
-rxn:4:213292:223179,CONC(=O)c1cc(-c2ccc(N3C(=O)CC(N4CCN(CC=Cc5ccccc5)CC4)C3=O)cc2)ccc1F,NGNFPFCAPKDLHK-UHFFFAOYSA-N
-rxn:4:213313:223748,C[Si](C)(C)CCOCn1cc(-c2cc(N3CCCCC3)cc(N3CCCCC3)c2)c2c(Cl)ncnc21,YEBPZUFBWGFZQA-UHFFFAOYSA-N
-rxn:4:213320:223029,COC(=O)c1nc(-c2ccc(NC(=O)OC(C)C)cc2)n2c1CN(C(=O)OC(C)(C)C)CC2,VIDDBSZKKKIWDG-UHFFFAOYSA-N
-rxn:4:213320:223075,COC(=O)c1nc(-c2ccc(NS(=O)(=O)C3CC3)cc2)n2c1CN(C(=O)OC(C)(C)C)CC2,VECJRMGDBNMOLX-UHFFFAOYSA-N
-rxn:4:213336:226844,COC(=O)c1nc(-c2ccnc(C(=O)C(F)(F)F)c2)n2c1CCN(C(=O)OC(C)(C)C)CC2,CDPFHIYDAFDTDD-UHFFFAOYSA-N
-rxn:4:213337:222584,CCCCC(=O)N1CCN(c2nc3ccc(-c4ccc(OCCCN5CCNCC5)c(F)c4)cc3s2)CC1,JJQLLDCLBLQTRB-UHFFFAOYSA-N
-rxn:4:213338:226844,CN(C)C(=O)CSC1=NC2CS(=O)(=O)CC2N1c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1F,UUFXCPYWIDULHY-UHFFFAOYSA-N
-rxn:4:213354:223279,CC(C)(C)OC(=O)N1C2CC1CN(Cc1ccc(-c3cnc(C4CCCN4)nc3)cn1)C2,HFZVDSJQPBLYCJ-UHFFFAOYSA-N
-rxn:4:213387:223938,CC(C)(C)OC(=O)N1CCC(Cn2cnc3cc(-c4cc5cc(Cl)ccc5n4C(=O)OC(C)(C)C)ccc32)CC1,ILTRHJCZZTTWPF-UHFFFAOYSA-N
-rxn:4:213408:223179,CONC(=O)c1cc(-c2ccc(Oc3nc4ccccn4c(=O)c3C=C3SC(=S)N(CC(C)C)C3=O)cc2)ccc1F,QYKAMEASIVKBHL-UHFFFAOYSA-N
-rxn:4:213413:226844,CC1CN(C(=O)c2cc3cc(-c4ccnc(C(=O)C(F)(F)F)c4)ccc3[nH]2)CCN1C(=O)OC(C)(C)C,WDHUBXQHWZLOBW-UHFFFAOYSA-N
-rxn:4:213421:223179,CONC(=O)c1cc(-c2ccc(CC(=O)N3CCC(Cn4nc5c(cc4=O)CCC5)CC3)cc2)ccc1F,YGCWUOKFLZYBBA-UHFFFAOYSA-N
-rxn:4:213438:224904,COc1ccc2c(c1)c(CN1CCN(C)CC1)cn2S(=O)(=O)c1ccccc1-c1ccc(C(=O)C2CCCCC2)cc1,KLEPOJKXICEHSG-UHFFFAOYSA-N
-rxn:4:213439:223179,CONC(=O)c1cc(-c2cccc3c2ccn3CC(=O)N2CCN(C(=O)C3COc4ccccc4O3)CC2)ccc1F,AFCCYRBJNXBOMO-UHFFFAOYSA-N
-rxn:4:213439:226844,O=C(Cn1ccc2c(-c3ccnc(C(=O)C(F)(F)F)c3)cccc21)N1CCN(C(=O)C2COc3ccccc3O2)CC1,WHFCFGLOEWVJTC-UHFFFAOYSA-N
-rxn:4:213440:226542,CCOC(=O)c1ccc(-c2ccc3ccn(CC(=O)N4CCN(C(=O)C5COc6ccccc6O5)CC4)c3c2)cc1F,MPSZMWLUTRCINY-UHFFFAOYSA-N
-rxn:4:213440:226844,O=C(Cn1ccc2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc21)N1CCN(C(=O)C2COc3ccccc3O2)CC1,NAKFOMLCTAEHHY-UHFFFAOYSA-N
-rxn:4:213441:226844,O=C(Cn1ccc2cc(-c3ccnc(C(=O)C(F)(F)F)c3)ccc21)N1CCN(C(=O)C2COc3ccccc3O2)CC1,KPKBKORDUWOLQJ-UHFFFAOYSA-N
-rxn:4:213458:223279,COc1ccc(-c2cnc(C3CCCN3)nc2)cc1[C@@H]1[C@@H](C(C)=O)N2c3ccccc3C=C[C@@H]2C1(C#N)C#N,FOIRZPYQNVJIFA-IHFZQIOASA-N
-rxn:4:213472:223179,CONC(=O)c1cc(-c2ccccc2C(=O)N2CCN(CCN3C(=O)c4cccc5cccc(c45)C3=O)CC2)ccc1F,KXQJOEDJHOIMHR-UHFFFAOYSA-N
-rxn:4:213476:223279,N#CC1(C#N)[C@H](c2cccc(-c3cnc(C4CCCN4)nc3)c2)[C@@H](C(=O)C23CC4CC(CC(C4)C2)C3)N2c3ccccc3C=C[C@@H]21,VUIPSUXFDRTIMB-PQKMDGNUSA-N
-rxn:4:213480:225638,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4ccc(N5CCC(C)CC5)nc4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,QCUOGDWFMXBQEV-NGNDDVQRSA-N
-rxn:4:213480:225639,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4cccnc4N4CCC(C)CC4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,HENRBKRGDPZSNE-NGNDDVQRSA-N
-rxn:4:213480:225640,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4ccnc(N5CCCCC5C)c4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,FSNBQJJRAYBXMF-ASMMESSISA-N
-rxn:4:213480:225641,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4ccnc(N5CCCC(C)C5)c4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,XJJNARLCPOYEIO-ASMMESSISA-N
-rxn:4:213480:225652,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4cncc(N5CCCC(C)C5)c4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,LNKVPXIKVZUZHV-YAOFJKDDSA-N
-rxn:4:213480:225653,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4ccc(N5CCCCC5C)nc4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,VKEPBVCNANCVPS-ASMMESSISA-N
-rxn:4:213480:225654,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4ccc(N5CCCC(C)C5)nc4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,FZZYLJXOKHALGB-ASMMESSISA-N
-rxn:4:213480:225655,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4cncc(N5CCC(C)CC5)c4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,YLFQOYWLXFXWHX-IYYFJEEQSA-N
-rxn:4:213480:225656,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4cncc(N5CCCCC5C)c4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,OHHGGRNXFBRRNH-YAOFJKDDSA-N
-rxn:4:213480:225657,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4ccc(N5CCOCC5)c(C)c4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,RWJDTTXDIVEQBN-IYYFJEEQSA-N
-rxn:4:213480:225664,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4ccc(N5CCCCC5)cc4Cl)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,FUIBBMWXWWNKDP-QPYSNBRXSA-N
-rxn:4:213480:225665,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4ccc(Cl)cc4N4CCCCC4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,BFPNLMZVPALJCR-QPYSNBRXSA-N
-rxn:4:213480:225666,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4cc(F)cc(N5CCCCC5)c4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,KDERVHUPNXYLPF-QPYSNBRXSA-N
-rxn:4:213480:226844,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4ccnc(C(=O)C(F)(F)F)c4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,QUHUPAPFJLMQSE-CMFBNTSOSA-N
-rxn:4:213481:223279,COC12CC(COC(=O)c3cncc(-c4cnc(C5CCCN5)nc4)c3)CN(C)C1Cc1cn(C)c3cccc2c13,MEHBVUKYJALNCB-UHFFFAOYSA-N
-rxn:4:213481:225733,CCCCOc1cc(-c2cncc(C(=O)OCC3CN(C)C4Cc5cn(C)c6cccc(c56)C4(OC)C3)c2)c(F)cc1F,JQXIFLMSIPTJNE-UHFFFAOYSA-N
-rxn:4:213604:222573,CCS(=O)(=O)N1CCC(Oc2ncc(-c3cc(F)cc(C(=O)NCC4CCCCC4)c3)cn2)C1,YRCDHVSWPUGYEA-UHFFFAOYSA-N
-rxn:4:213634:224176,FC(F)(F)CN1CCCC(Cn2cc(-c3ccc(OCCSC4CCOCC4)cc3)cn2)C1,VVENFWQAHAPGQY-UHFFFAOYSA-N
-rxn:4:213653:223179,CONC(=O)c1cc(-c2cncc(C(=O)N3CC(CN4C(=O)COC4=O)C3)c2)ccc1F,NAGQDGDLNRNMAH-UHFFFAOYSA-N
-rxn:4:213658:223587,COc1cc(COc2ccc(F)c(-c3cnn(CC4CN(C(=O)C5CCCO5)C4)c3)c2F)cc(OC)c1,GYRKDSCTSBMENM-UHFFFAOYSA-N
-rxn:4:213686:222654,CC(C)(C)C(=O)N1CC(Cn2cc(-c3ccc(Cl)c(C(=O)NC4CCCCC4)c3)cn2)C1,FAFFABGDXLQKNV-UHFFFAOYSA-N
-rxn:4:213686:223502,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3cnn(CC4CN(C(=O)C(C)(C)C)C4)c3)cc2F)CC1,DWIBDCLAFJZQDO-UHFFFAOYSA-N
-rxn:4:213759:222912,CC(C)CNS(=O)(=O)c1ccc(-c2cnc(C3CCCN3C(=O)OC(C)(C)C)cn2)cc1,PELSZHXAKRHSHV-UHFFFAOYSA-N
-rxn:4:213767:225123,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3ccncc3OCC3CCCCO3)o2)CC1,QKBNPKRKWHAAPH-UHFFFAOYSA-N
-rxn:4:213771:225213,CC(C)C(=O)N1CCC(Oc2ncc(-c3ccc(N4CCN(C)CC4)cc3Cl)cn2)CC1,JEVDYRNIJNNZOI-UHFFFAOYSA-N
-rxn:4:213800:224634,COc1ccc(-c2cc(C3COCCN3C(=O)OC(C)(C)C)ncn2)cc1CN1CCOCC1,BHSBLRCAZGAAPI-UHFFFAOYSA-N
-rxn:4:213801:225977,CC(C)(C)OC(=O)N1CCOC(c2cncc(-c3cc(Cl)cnc3N3CCOCC3)n2)C1,UERAJMKPWNJDNC-UHFFFAOYSA-N
-rxn:4:213812:224203,COc1cc(C(=O)N2CCCCC2)ccc1-c1ccc(C(=O)N2CCC(Oc3ccc(C)nn3)CC2)o1,LSHLQLAJQSQYQF-UHFFFAOYSA-N
-rxn:4:213835:224729,COc1nccc(-c2ccnn2C2CCN(C(=O)OC(C)(C)C)CC2)c1C(=O)OC(C)(C)C,ILWKFYHXAJAXDK-UHFFFAOYSA-N
-rxn:4:213843:223179,CONC(=O)c1cc(-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3=O)c2)ccc1F,YSQNXEGMQCJLCI-UHFFFAOYSA-N
-rxn:4:213844:222888,CC(C)(C)OC(=O)N1CCN(c2cccc(-c3ccc(CN4CCNCC4)c(Cl)c3)n2)C(=O)C1,CIFKBVHNZSMPAO-UHFFFAOYSA-N
-rxn:4:213846:223179,CONC(=O)c1cc(-c2cccc(C(=O)N3CCN(S(=O)(=O)N(C)C)CC3)c2)ccc1F,BYHNDQCSUJGCKE-UHFFFAOYSA-N
-rxn:4:213872:225312,CN1CCCN(c2ncc(-c3cnn(CC4CN(CC5CCCCC5)C4)c3)cn2)CC1,GMZUQMVXFXFJRR-UHFFFAOYSA-N
-rxn:4:213875:223536,CC(C)(C)OC(=O)N1CCN(c2cccc(-c3cc(F)c(F)c(N4CCN(C(=O)OC(C)(C)C)CC4)c3)n2)CC1,ZTJQUCVCMXQCTJ-UHFFFAOYSA-N
-rxn:4:213879:224286,CC(C)(C)OC(=O)N1CCN(c2cccnc2-c2ccc(OCCN3CCOCC3)c(Cl)c2)CC1,OZUVTYDSTDBVSY-UHFFFAOYSA-N
-rxn:4:213882:223179,CONC(=O)c1cc(-c2cnn(CC3CN(CC4CCS(=O)(=O)CC4)C3)c2)ccc1F,YYFXFUMRTPFEBB-UHFFFAOYSA-N
-rxn:4:213883:226844,Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)sc1-c1ccnc(C(=O)C(F)(F)F)c1,DFSQHTMJNFOFDN-UHFFFAOYSA-N
-rxn:4:213897:225718,COC(COc1cccc(-c2cnccc2N2CCN(C(=O)OC(C)(C)C)CC2)c1)OC,QPSWFCWFLASMKV-UHFFFAOYSA-N
-rxn:4:213910:223179,CONC(=O)c1cc(-c2cccnc2OC2CCN(S(=O)(=O)N3CCOCC3)C2)ccc1F,GKYMIQVXPWRVLP-UHFFFAOYSA-N
-rxn:4:213932:226844,O=C(C1CN(c2ncc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2C(F)(F)F)CCO1)N1CCCC1,ANLLFLGYHSTFCR-UHFFFAOYSA-N
-rxn:4:213943:223179,CONC(=O)c1cc(-c2cn[nH]c2C2(C)CCN(C(=O)OC(C)(C)C)CC2)ccc1F,WMAOOUBTEXZICE-UHFFFAOYSA-N
-rxn:4:213945:226844,CC1CN(C(=O)OC(C)(C)C)CCC1n1cnc(-c2ccnc(C(=O)C(F)(F)F)c2)c1,LCPAUPNCZLKHAM-UHFFFAOYSA-N
-rxn:4:213947:226844,CC1CN(C(=O)OC(C)(C)C)CCC1n1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)n1,KPJJTZKVNOLMJJ-UHFFFAOYSA-N
-rxn:4:213955:223179,CONC(=O)c1cc(-c2cnc(OC3CCN(C(=O)C4CC=CCC4)CC3)nc2)ccc1F,KGPVCYXQCWWBGY-UHFFFAOYSA-N
-rxn:4:213972:223179,CONC(=O)c1cc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)c(C(F)(F)F)c2)ccc1F,YUZMXJWCMFYZJD-UHFFFAOYSA-N
-rxn:4:213975:226844,CC(C)(C)OC(=O)N1CCCN(c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)nc2)CC1,RBNXKDNABKITOS-UHFFFAOYSA-N
-rxn:4:213978:226844,CN1CCN(c2cc(C(=O)OC(C)(C)C)cc(-c3ccnc(C(=O)C(F)(F)F)c3)n2)CC1,YPBMOEBVZIWGBZ-UHFFFAOYSA-N
-rxn:4:213979:226844,CC1CN(C(=O)OC(C)(C)C)CCC1c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)nn1,OAZRQQLTLCVNTO-UHFFFAOYSA-N
-rxn:4:213980:223121,CC1CN(C(=O)OC(C)(C)C)CCC1c1nccc(-c2ccc(C(=O)NC3CC3)cc2)n1,GXKBWALFJKKMEJ-UHFFFAOYSA-N
-rxn:4:213988:226844,CC(C)(C)OC(=O)N1CCCN(c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cn2)CC1,NCIHTGAZESUCLW-UHFFFAOYSA-N
-rxn:4:213989:223179,CONC(=O)c1cc(-c2cnc(OCC3CCCN(C4CCOCC4)C3)nc2)ccc1F,KFVORFYAYLFNSA-UHFFFAOYSA-N
-rxn:4:213998:226844,CC1CN(c2cncc(-c3ccnc(C(=O)C(F)(F)F)c3)c2)CCN1C(=O)OC(C)(C)C,XCKCQUGXIOCCMT-UHFFFAOYSA-N
-rxn:4:214001:223279,CC1CN(c2ncc(-c3cnc(C4CCCN4)nc3)cc2F)CCN1C(=O)OC(C)(C)C,RTWVGCPXVIPFQR-UHFFFAOYSA-N
-rxn:4:214005:223279,O=C(c1cccc(-c2cnc(C3CCCN3)nc2)c1)N1CCN(C(=O)N2CCOCC2)CC1,BUMFNTFMSJKTGE-UHFFFAOYSA-N
-rxn:4:214014:223064,O=C(c1cncc(-c2ccc(C3CCNCC3)nc2F)c1)N1CCCSCC1CN1CCCC1,MOFXVDYEIKKYAA-UHFFFAOYSA-N
-rxn:4:214018:224373,COc1ccc(-c2ccc(C3=NN(C(C)=O)C(c4ccc(N(C)C)cc4)C3)cc2)cc1S(=O)(=O)N1CCCC1,ZLNODNIJCLYHMJ-UHFFFAOYSA-N
-rxn:4:214021:224767,Cc1cc(C)nc(OC2CCCN(C(=O)c3ccccc3-c3cccc(C(=O)N4CCOCC4)c3F)C2)n1,STSLXBBEYRXVQO-UHFFFAOYSA-N
-rxn:4:214028:227215,COCCOc1ccc(-c2cc(C(F)(F)F)cnc2N2CCOC(C(=O)N3CCCCC3)C2)cc1,BVAMTQCZBHNVCQ-UHFFFAOYSA-N
-rxn:4:214029:227500,CCN(C)c1ncc(-c2cnc(N3CCCC(C(=O)N4CCSCC4)C3)c(C(F)(F)F)c2)cc1Cl,UKACZPUOTYPKQC-UHFFFAOYSA-N
-rxn:4:214033:223915,Cc1cc(-c2cc(C3=N[C@@H](C(C)C)CO3)nc(C3=N[C@@H](C(C)C)CO3)c2)cnc1N(C)C(=O)c1ccccc1,ZZFRZUUZHVPHNW-KAYWLYCHSA-N
-rxn:4:214033:224431,Cc1cccc(CN(C(C)C)C(C)C)c1-c1cc(C2=N[C@@H](C(C)C)CO2)nc(C2=N[C@@H](C(C)C)CO2)c1,WEKTUGYUDKONMR-VSGBNLITSA-N
-rxn:4:214037:223279,CS(=O)(=O)N1CCN(C(=O)C2CC(=O)N(c3ccc(-c4cnc(C5CCCN5)nc4)cc3)C2)CC1,KHCMCEOADVEULD-UHFFFAOYSA-N
-rxn:4:214054:223179,CONC(=O)c1cc(-c2ccccc2S(=O)(=O)N2CCC(N3CC(=O)N(C4CC4)C3=O)CC2)ccc1F,DDSYTLQDHPTDJP-UHFFFAOYSA-N
-rxn:4:214058:226844,COC1CCN(C2CCN(C(=O)c3cncc(-c4ccnc(C(=O)C(F)(F)F)c4)c3)CC2)CC1,VYLNXIKVQHSDTI-UHFFFAOYSA-N
-rxn:4:214064:222917,CS(=O)(=O)N1CCN(Cc2ccc(-c3ccc(C(=O)Nc4nccs4)cc3)cc2N2CCOCC2)CC1,PGNLHYCAFQALCT-UHFFFAOYSA-N
-rxn:4:214065:222944,Cc1nn(C(=O)c2ccc(-c3ccc(S(=O)(=O)NC4CC4)cc3F)cc2)c(C)c1S(=O)(=O)N1CCC(C)CC1,FUQOBNQPEAEWPH-UHFFFAOYSA-N
-rxn:4:214065:226844,Cc1nn(C(=O)c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2)c(C)c1S(=O)(=O)N1CCC(C)CC1,AGZVEAPXWOLMKI-UHFFFAOYSA-N
-rxn:4:214073:226844,O=C1CC(N2CCN(Cc3ccccc3)CC2)C(=O)N1c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1,HUTZHIJSZRPXFN-UHFFFAOYSA-N
-rxn:4:214074:227438,Cc1nn(S(=O)(=O)c2ccc(-c3ccnc(C4CCOC4)c3)cc2)c(C)c1S(=O)(=O)N1CCCC(C)C1,NCPBBFKBJCMZDM-UHFFFAOYSA-N
-rxn:4:214078:223279,CCN1CCN(Cc2ccc(-c3cnc(C4CCCN4)nc3)cc2N2CCCCC2)CC1,BFQFXWSZIIFVCA-UHFFFAOYSA-N
-rxn:4:214079:226844,CC(C)N1CCN(Cc2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2N2CCCC2)CC1,LGTXDSMDEFNRRX-UHFFFAOYSA-N
-rxn:4:214081:223279,O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1C(=S)C(c2ccc(-c3cnc(C4CCCN4)nc3)cc2)=NC12CCCCCC2,FPWKYSYLEOCSCZ-UHFFFAOYSA-N
-rxn:4:214085:223279,Cc1ccc([N+](=O)[O-])cc1N1C(=O)C(=Cc2ccc(-c3cnc(C4CCCN4)nc3)cc2)N=C1C1CCCCC1,SREDZQOGVREDNL-UHFFFAOYSA-N
-rxn:4:214085:226844,Cc1ccc([N+](=O)[O-])cc1N1C(=O)C(=Cc2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2)N=C1C1CCCCC1,RJEJLMRXFHPCHF-UHFFFAOYSA-N
-rxn:4:214086:227444,CC(C)N1CCN(Cc2ccc(-c3cncc(C4CCCO4)c3)cc2N2CCCCC2)CC1,SCLDUNZNGIDDRF-UHFFFAOYSA-N
-rxn:4:214144:223838,CN(C)S(=O)(=O)N1CCN(c2ccc(-c3c(C#N)cnc4c3CCN(C(=O)OC(C)(C)C)C4)cc2)CC1,WPGLZLJQXRTIGZ-UHFFFAOYSA-N
-rxn:4:214147:223179,CONC(=O)c1cc(-c2nc(C(F)(F)F)c3n2CCN(C(=O)OC(C)(C)C)C3)ccc1F,HWSIXNXILXNYNW-UHFFFAOYSA-N
-rxn:4:214147:226844,CC(C)(C)OC(=O)N1CCn2c(-c3ccnc(C(=O)C(F)(F)F)c3)nc(C(F)(F)F)c2C1,FQODJKMUJCYBDR-UHFFFAOYSA-N
-rxn:4:214185:223179,CONC(=O)c1cc(-c2c(C(F)(F)F)nn3c2CN(C(=O)OC(C)(C)C)CCC3)ccc1F,APLDHUGHBBTFJD-UHFFFAOYSA-N
-rxn:4:214185:227481,COC(OC)c1cnccc1-c1c(C(F)(F)F)nn2c1CN(C(=O)OC(C)(C)C)CCC2,IVCYSLOOIHTKEX-UHFFFAOYSA-N
-rxn:4:214201:223179,CONC(=O)c1cc(-c2ccc(N3CC4CC(C3)N4C(=O)OC(C)(C)C)nc2)ccc1F,LQOWHICBAACSBE-UHFFFAOYSA-N
-rxn:4:214202:226844,CC(C)(C)OC(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1c1ncc(-c2ccnc(C(=O)C(F)(F)F)c2)cn1,NNGYNHNNECRFFV-LXZKKBNFSA-N
-rxn:4:214229:226844,CC(C)(C)OC(=O)N1C2CCC1CC(n1cc(-c3ccnc(C(=O)C(F)(F)F)c3)cn1)C2,PFONIJRFVRTUBF-UHFFFAOYSA-N
-rxn:4:214231:225979,CC(C)(C)OC(=O)N1CCOC(c2cn3c(-c4cnc(N5CCOCC5)c(Cl)c4)cccc3n2)C1,ZAGHQNSBNARBBW-UHFFFAOYSA-N
-rxn:4:214252:226844,O=C(N=C1SC2CS(=O)(=O)CC2N1c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1)c1cccc([N+](=O)[O-])c1,KTKISXXGMPOIRX-UHFFFAOYSA-N
-rxn:4:214256:226844,CC(C)(C)OC(=O)N1CCc2c(c(-c3ccnc(C(=O)C(F)(F)F)c3)nn2C2CCOC2)C1,BRWRGRKXLHCPQJ-UHFFFAOYSA-N
-rxn:4:214257:226844,CC(C)(C)OC(=O)N1CC2CCC(C1)N2c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cn1,BDAPPXBMYXIFJP-UHFFFAOYSA-N
-rxn:4:214284:226844,COc1ccc(F)cc1S(=O)(=O)N1C2CCC1CC(n1cc(-c3ccnc(C(=O)C(F)(F)F)c3)cn1)C2,DCWIWWCUFDYGDX-UHFFFAOYSA-N
-rxn:4:214349:223179,CONC(=O)c1cc(-c2ccc(C(=O)N3CCC(Cn4nc5c(cc4=O)CCCC5)CC3)cc2)ccc1F,MSOUSUZYBDBZAE-UHFFFAOYSA-N
-rxn:4:214349:226844,O=C(c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1)N1CCC(Cn2nc3c(cc2=O)CCCC3)CC1,YTJHHBUJEYTGEM-UHFFFAOYSA-N
-rxn:4:214356:224403,CC(=O)N1N=C(c2c(C)nc3ccc(Cl)cc3c2-c2ccccc2)CC1c1cccc(-c2cnc(N3CCOCC3)c(C(F)(F)F)c2)c1,CVFZXKBAVRJFFQ-UHFFFAOYSA-N
-rxn:4:214361:223279,CO[C@H]1CC[C@H](n2c([C@@H]3CCCC(=O)N3c3ccc(F)c(F)c3)nc3cc(-c4cnc(C5CCCN5)nc4)ccc32)CC1,NKLNRYWKZOJUGJ-MAOHNOPJSA-N
-rxn:4:214384:223279,O=C(N1CCCC(Oc2ncc(-c3cnc(C4CCCN4)nc3)cn2)C1)C12CC3CC(CC(C3)C1)C2,ACEGMSNLRDTSKZ-UHFFFAOYSA-N
-rxn:4:214384:226844,O=C(c1cc(-c2cnc(OC3CCCN(C(=O)C45CC6CC(CC(C6)C4)C5)C3)nc2)ccn1)C(F)(F)F,ZMGAJKCLUCCGSW-UHFFFAOYSA-N
-rxn:4:214592:223489,CC(C)Oc1cnn(-c2ccc(-c3ccc(S(=O)(=O)N4CCC(O[Si](C)(C)C(C)(C)C)CC4)cc3)cn2)c1,QCZBTPMVVZORDH-UHFFFAOYSA-N
-rxn:4:214630:222752,Cc1cc(NC(=O)OC(C)(C)C)ccc1-c1c(C2CC2)n[nH]c1C(=O)N1CCOCC1,UCPUWGWECOYAPV-UHFFFAOYSA-N
-rxn:4:214638:223941,CC(C)(C)OC(=O)N1C(=O)Cc2cc(-c3cnc(N4CCC(C(F)(F)F)CC4)c([N+](=O)[O-])c3)ccc21,VBUCUTTWICKONW-UHFFFAOYSA-N
-rxn:4:214681:223671,Cn1cc(-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)c(CN2CCCCC2C(F)(F)F)n1,VLVKPCSKDSUZGS-UHFFFAOYSA-N
-rxn:4:214705:224325,CS(=O)(=O)N1CC=C(c2ccc(-c3cnc(CC4CCN(S(C)(=O)=O)CC4)cn3)cc2)CC1,KXWNHJFQDNNLTD-UHFFFAOYSA-N
-rxn:4:214706:223970,Cc1ccc(-c2cnc(CC3CCCN(S(C)(=O)=O)C3)cn2)cc1S(=O)(=O)N1CCC(C)CC1,OUVZHSJELDCDPE-UHFFFAOYSA-N
-rxn:4:214731:222935,CN(C)S(=O)(=O)NCc1ccc(-c2cccnc2N2CCN(S(=O)(=O)C3CC3)CC2)cc1,SMQRTSXYCCTORJ-UHFFFAOYSA-N
-rxn:4:214767:223637,CN(C)C1CCN(c2c(-c3ccccc3C3CCCN(C(=O)OC(C)(C)C)C3)cccc2[N+](=O)[O-])CC1,ZIHZWAAMUPGTDT-UHFFFAOYSA-N
-rxn:4:214767:225195,CN(C)C1CCN(c2c(-c3ccc(F)c(OC4CCCCO4)c3)cccc2[N+](=O)[O-])CC1,QGFVRUUOVQUJFB-UHFFFAOYSA-N
-rxn:4:214802:224672,CCN1CCN(c2ccc(-c3cccnc3N3CCOC(C(=O)N4CCCC4)C3)c(Cl)c2)CC1,ZKSHTZHBBYVCAO-UHFFFAOYSA-N
-rxn:4:214818:226844,O=C(C1CCCO1)N1CCN(c2ncc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2Cl)CC1,JHCSUGFUYZDQKX-UHFFFAOYSA-N
-rxn:4:214821:223179,CONC(=O)c1cc(-c2cnc(N3CCCN(S(=O)(=O)C4CC4)CC3)c(F)c2)ccc1F,YGIZEQWAUSSMDQ-UHFFFAOYSA-N
-rxn:4:214830:223179,CONC(=O)c1cc(-c2ccc(N3CCOC(C(=O)N4CCSCC4)C3)nc2)ccc1F,IZPAEORTZMXXIR-UHFFFAOYSA-N
-rxn:4:214837:223179,CONC(=O)c1cc(-c2cnc(N3CCOC(C(=O)N4CCSCC4)C3)c(Cl)c2)ccc1F,MWLXSBDDEYGPKQ-UHFFFAOYSA-N
-rxn:4:214838:225636,CC1CCN(c2cc(-c3cnc(N4CCOC(C(=O)N5CCOCC5)C4)c(F)c3)ccn2)CC1,YVHUDJPPYGLHAA-UHFFFAOYSA-N
-rxn:4:214838:226844,O=C(C1CN(c2ncc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2F)CCO1)N1CCOCC1,GIZGTSXEEYPVGE-UHFFFAOYSA-N
-rxn:4:214839:223179,CONC(=O)c1cc(-c2cnc(N3CCOC(C(=O)N4CCSCC4)C3)c(F)c2)ccc1F,YLLDEKMOBBHCHK-UHFFFAOYSA-N
-rxn:4:214839:226255,CCCCOc1ccc(Cl)cc1-c1cnc(N2CCOC(C(=O)N3CCSCC3)C2)c(F)c1,IDELUBKYDUANHB-UHFFFAOYSA-N
-rxn:4:214839:226844,O=C(C1CN(c2ncc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2F)CCO1)N1CCSCC1,UJKPSFIFPFVFGK-UHFFFAOYSA-N
-rxn:4:214862:223179,CONC(=O)c1cc(-c2cncc(C(=O)N3CCCN(C4CCSC4)CC3)c2)ccc1F,KRKSABSGRPGKDT-UHFFFAOYSA-N
-rxn:4:214867:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnc(N4CCOC(C(=O)N5CCCC5)C4)c(C)c3)c(F)c2)CC1,MYHVXSIPOHPOSG-BIBMFLLGSA-N
-rxn:4:214867:226844,Cc1cc(-c2ccnc(C(=O)C(F)(F)F)c2)cnc1N1CCOC(C(=O)N2CCCC2)C1,WTUAAQGZTWJDGT-UHFFFAOYSA-N
-rxn:4:214870:223179,CONC(=O)c1cc(-c2cc(Cl)cnc2N2CCCC(C(=O)N3CCOCC3)C2)ccc1F,PMNBMSXFSKRVBW-UHFFFAOYSA-N
-rxn:4:214871:226259,CCCCOc1ccc(-c2cnc(N3CCCC(C(=O)N4CCOCC4)C3)c(Cl)c2)cc1Cl,CEYLXUJBVPGYRL-UHFFFAOYSA-N
-rxn:4:214871:227111,Cc1cc(C2CC2)cc(Cl)c1-c1cnc(N2CCCC(C(=O)N3CCOCC3)C2)c(Cl)c1,YCDKQGWPCYSVJF-UHFFFAOYSA-N
-rxn:4:214872:223179,CONC(=O)c1cc(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCCCC3)C2)ccc1F,AEFHTHSGWGCVPD-UHFFFAOYSA-N
-rxn:4:214873:223279,O=C(C1CCCN(c2ncc(-c3cnc(C4CCCN4)nc3)cc2F)C1)N1CCOCC1,QVTQWEOGMAYNTQ-UHFFFAOYSA-N
-rxn:4:214873:226645,O=C(C1CCCN(c2ncc(-c3ccnc(N4CCOCC4)c3)cc2F)C1)N1CCOCC1,SJGHKTNQMOLUTJ-UHFFFAOYSA-N
-rxn:4:214874:222502,O=C(NCc1ccc(-c2cnc(N3CCOC(C(=O)N4CCCCC4)C3)c(F)c2)cc1)c1cc(F)ccc1F,YEGUNXGJDUSYIE-UHFFFAOYSA-N
-rxn:4:214874:226981,CCCCCCc1ccsc1-c1cnc(N2CCOC(C(=O)N3CCCCC3)C2)c(F)c1,KMJRPNKYHOSQHX-UHFFFAOYSA-N
-rxn:4:214879:223725,CCCCCc1ccc(-c2ccc(-c3ccc(N4C(=O)CC(N5CCN(CC)CC5)C4=O)cc3)c(F)c2)cc1,HDRCRVOZKANZEF-UHFFFAOYSA-N
-rxn:4:214880:225093,CCCOc1c(Cl)cc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)c(C)c2)cc1OCC,MNNKLQNBDJPVHC-UHFFFAOYSA-N
-rxn:4:214880:226844,Cc1cc(-c2ccnc(C(=O)C(F)(F)F)c2)cnc1N1CCOC(C(=O)N2CCOCC2)C1,FVFDEUDACIOWMU-UHFFFAOYSA-N
-rxn:4:214886:226844,O=C(C1CCN(c2ncc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2F)CC1)N1CCC(F)(F)CC1,JNFLPVDZQVTPOG-UHFFFAOYSA-N
-rxn:4:214889:224970,CN1CCN(Cc2ccc(-c3ccc(S[Si](C)(C)C(C)(C)C)cc3)cc2N2CCCC2)CC1,JLTWFNLUKOGSPN-UHFFFAOYSA-N
-rxn:4:214899:223179,CONC(=O)c1cc(-c2ccc(N3C(=O)CC(N4CCN(c5ccc(F)cc5)CC4)C3=O)cc2)ccc1F,RHNZSDPXCATFTJ-UHFFFAOYSA-N
-rxn:4:214900:223179,CONC(=O)c1cc(-c2ccc(CN3CCN(C)CC3)c(N3CCCCC3)c2)ccc1F,VKOQLIZRDGTOPD-UHFFFAOYSA-N
-rxn:4:215059:223499,CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(-c3cnn4c3CN(C(=O)OC(C)(C)C)CC4)ccc2Cl)CC1,IJMYWDYNHCUZRC-UHFFFAOYSA-N
-rxn:4:215101:222922,CC(C)(C)NS(=O)(=O)c1ccccc1-c1ncc2n1CCN(C(=O)OC(C)(C)C)CC2,FXARSWQOEOSUOJ-UHFFFAOYSA-N
-rxn:4:215102:224493,CC(C)(C)OC(=O)N1CCc2nc(-c3ccc(CO[Si](C)(C)C(C)(C)C)cc3)cn2CC1,NMTFNWQRFXVBNG-UHFFFAOYSA-N
-rxn:4:215108:222912,CC(C)CNS(=O)(=O)c1ccc(-c2c3c(nn2C)CN(C(=O)OC(C)(C)C)CC3)cc1,RVGZNOZEUZVQBV-UHFFFAOYSA-N
-rxn:4:215153:223983,CCN1CCN(S(=O)(=O)c2ccccc2-c2ccc(CN3CCC4CN(c5ccccn5)CC43)o2)CC1,MPBGOMZGWZITEJ-UHFFFAOYSA-N
-rxn:4:215170:224497,CCN1CCN(Cc2ccc(-c3cncc(C(=O)N4CC(N5C(=O)C6CC=CCC6C5=O)C4)c3)cc2)CC1,VHJUSYOGUDAVDT-UHFFFAOYSA-N
-rxn:4:215170:226354,COc1cc(-c2cncc(C(=O)N3CC(N4C(=O)C5CC=CCC5C4=O)C3)c2)c(Cl)c(C2CC2)c1,VBICQGORJLVBEY-UHFFFAOYSA-N
-rxn:4:215189:225898,CC(C)(C)C(=O)N1CCN(c2nc3ccc(-c4cnn(CCN5CCOCC5)c4)cc3s2)CC1,VUXODWAXNKPUOY-UHFFFAOYSA-N
-rxn:4:215228:226844,O=C(C1CCCCC1)N1CCN(c2nc3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3s2)CC1,XVAKVKSIVWBDJV-UHFFFAOYSA-N
-rxn:4:215285:226844,COc1ccc(N2C(=O)C3C(C2=O)N2CCCN2C3c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2)cc1,XKOLMIWBIXIORE-UHFFFAOYSA-N
-rxn:4:215293:222848,CCCN1C(=O)C2(c3cc(-c4cc(CC)nc(C5CCCNC5)c4)ccc31)c1[nH]c3ccccc3c1CCN2C(C)=O,YHTRMVXYKJZPHW-UHFFFAOYSA-N
-rxn:4:215303:223873,CCCN1CCC2(CC1)Oc1ccc(-c3ccccc3CCC(=O)N3CCC(C)CC3)cc1C1CC(c3ccc4ccccc4c3)=NN12,HJNRZSRROQASBM-UHFFFAOYSA-N
-rxn:4:215829:222796,Cc1ccc(S(=O)(=O)NC(C)(C)C)cc1-c1c(C(=O)N2CCCC(F)(F)C2)cnn1C,LAFMWPDCNZQRBS-UHFFFAOYSA-N
-rxn:4:215889:223482,CN1CCN(c2ccc(-c3ccc(OC(F)(F)F)c(S(=O)(=O)N4CCC5(CC4)OCCO5)c3)cc2[N+](=O)[O-])CC1,TXQOTANOATZXTI-UHFFFAOYSA-N
-rxn:4:215898:223669,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(C4CCN(S(C)(=O)=O)CC4)cn3)cn2)CC1,XMDNFFMUDJAUTR-UHFFFAOYSA-N
-rxn:4:215942:223728,CCCCCC1CCC(c2ccc(-c3ncccc3N3CCC(N(C)C)CC3)c(F)c2)CC1,RBLRQNKDAMTHTH-UHFFFAOYSA-N
-rxn:4:215944:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3cccc(N4CCC(N(C)C)CC4)n3)cc2)CC1,WWJMZOIAPCWBMA-RQNOJGIXSA-N
-rxn:4:215955:223728,CCCCCC1CCC(c2ccc(-c3cnccc3N3CCC(N(C)C)CC3)c(F)c2)CC1,ZIWMQRIUNKUWDE-UHFFFAOYSA-N
-rxn:4:215956:223728,CCCCCC1CCC(c2ccc(-c3cncc(N4CCC(N(C)C)CC4)c3)c(F)c2)CC1,WRBWUYJDMICQRS-UHFFFAOYSA-N
-rxn:4:215988:223920,CC1CCCN(c2cc(C(C)(C)C)nc(-c3ccc(C(=O)N(C)C4CCCCC4)cc3Cl)n2)C1,KSUOPIMBFLMALX-UHFFFAOYSA-N
-rxn:4:216160:223788,CC(C)(C)OC(=O)N1CC(Oc2ccc(-c3cc4nc(N5CCOCC5)sc4cc3[N+](=O)[O-])cc2)C1,MUWQXOQYNLOMCI-UHFFFAOYSA-N
-rxn:4:216219:224194,CCN1CCN(Cc2ccc(-c3cnc(OC4CC5CCC(C4)N5C)nc3)cc2Cl)CC1,ZPTIVWMCEDVGQP-UHFFFAOYSA-N
-rxn:4:216252:225276,CCCOc1cc(-c2nn(C3CCOCC3)c3c2CN(C(C)=O)CC3)ccc1C(F)(F)F,BRGKDZNXSALHOQ-UHFFFAOYSA-N
-rxn:4:217086:223670,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2cnc(N3CCOCC3)nc2Cl)CC1,KHGMIQBEAOKZMV-UHFFFAOYSA-N
-rxn:4:217889:224462,c1cc(C2CCN(C3CC3)CC2)ccc1-c1cnc(N2C3CCC2CC(=C2CC2)C3)nc1,VPUQXKGEVRLFGK-UHFFFAOYSA-N
-rxn:4:217905:226069,Cc1ccc(C2=NN3C(C2)c2cc(-c4cccc(C5CCCCC5)c4)ccc2OC32CCN(C)CC2)o1,JPZVLFYMVLFYLY-UHFFFAOYSA-N
-rxn:4:217910:222466,Cc1cc(C)c(-n2c[n+]3c(n2)COC2Cc4ccc(-c5cc(C6CCCCC6)nc(C6CCNCC6)c5)cc4C23)c(C)c1,FFTQOBAUVNJBRG-UHFFFAOYSA-N
-rxn:4:218600:223179,CONC(=O)c1cc(-c2cnn(CCN3CCN(C(=O)OC(C)(C)C)CC3)c2)ccc1F,ZCEIBWRXNHANDU-UHFFFAOYSA-N
-rxn:4:218600:226844,CC(C)(C)OC(=O)N1CCN(CCn2cc(-c3ccnc(C(=O)C(F)(F)F)c3)cn2)CC1,NERASPTVPPGSLD-UHFFFAOYSA-N
-rxn:4:218608:225101,CCN(CC)C(=O)c1cc(-c2cnc(OCC3CCCN(C(=O)c4cc(C5CC5)on4)C3)nc2)ccc1Cl,QXKKNFJQRSTIKX-UHFFFAOYSA-N
-rxn:4:218610:223911,CCOC(=O)C1(c2ccc(-c3cncc(C(=O)N4CC(c5nc(Cc6ccccc6OC)no5)C4)c3)cc2)CCOCC1,AIAQAABUWCDEOV-UHFFFAOYSA-N
-rxn:4:218615:226844,CN(CC1CCN(C(=O)OC(C)(C)C)C1)c1cnc(-c2ccnc(C(=O)C(F)(F)F)c2)cn1,PTAFFYCDOFDBFW-UHFFFAOYSA-N
-rxn:4:218631:223179,CONC(=O)c1cc(-c2cnc(OCC3CCN(C4CCN(CC(F)(F)F)C4=O)CC3)nc2)ccc1F,MUNVMIWXQASLMZ-UHFFFAOYSA-N
-rxn:4:218641:226844,Cn1cnnc1S(=O)(=O)C1CCN(C(=O)CCc2ccccc2-c2ccnc(C(=O)C(F)(F)F)c2)CC1,AULACNAJDNJBJH-UHFFFAOYSA-N
-rxn:4:218652:223179,CONC(=O)c1cc(-c2cnc(N(C)CC3CCN(C(=O)OC(C)(C)C)CC3)cn2)ccc1F,QHVNKIZOPDTZFH-UHFFFAOYSA-N
-rxn:4:218652:223279,CN(CC1CCN(C(=O)OC(C)(C)C)CC1)c1cnc(-c2cnc(C3CCCN3)nc2)cn1,FGOCJDWQLTUITL-UHFFFAOYSA-N
-rxn:4:218655:226844,COc1cc(=O)n(C)cc1C(=O)N1CCC(COc2ncc(-c3ccnc(C(=O)C(F)(F)F)c3)cn2)CC1,UFXXDPZSTPCUGD-UHFFFAOYSA-N
-rxn:4:218666:225208,Cc1nc(N2CCCC(C)C2)ncc1-c1cncc(C(=O)N2CCC(COc3ccc(C(C)(C)C)nn3)C2)c1,ZYVOADNRPUJJEM-UHFFFAOYSA-N
-rxn:4:218675:226844,O=C(c1cncc(-c2ccnc(C(=O)C(F)(F)F)c2)c1)N1CCC(COc2cc(C3CCC3)ncn2)CC1,BTISRCTZYBJWSS-UHFFFAOYSA-N
-rxn:4:218676:223179,CONC(=O)c1cc(-c2c(C)nn(CCC(=O)N3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)c2C)ccc1F,FGASJXWEQHIJOZ-UHFFFAOYSA-N
-rxn:4:218676:223279,Cc1nn(CCC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c(C)c1-c1cnc(C2CCCN2)nc1,HQWHIEZJEMKNPF-UHFFFAOYSA-N
-rxn:4:218676:223673,Cc1nn(CCC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c(C)c1-c1cccc(COc2cc(C(F)(F)F)ccc2Cl)c1,QCDMTSKITTWIMC-UHFFFAOYSA-N
-rxn:4:218676:226844,Cc1nn(CCC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c(C)c1-c1ccnc(C(=O)C(F)(F)F)c1,BSYSMLMGAMRTRF-UHFFFAOYSA-N
-rxn:4:218682:223279,CC(=O)N1CCC(C(=O)N2CCCC(COc3ncc(-c4cnc(C5CCCN5)nc4)cn3)C2)CC1,LEWNAYNZUMPXCW-UHFFFAOYSA-N
-rxn:4:218684:223279,CC(C)(C)OC(=O)N1CCN(c2nc(-c3cccc(-c4cnc(C5CCCN5)nc4)c3)ccc2C#N)CC1,DEXQOEHJBDTZPK-UHFFFAOYSA-N
-rxn:4:218687:226844,CC(C)(C)c1ccc(OCC2CCN(C(=O)c3cncc(-c4ccnc(C(=O)C(F)(F)F)c4)c3)CC2)nn1,KSKAWPDIIOFQOG-UHFFFAOYSA-N
-rxn:4:218696:223179,CONC(=O)c1cc(-c2c(C)nn(C(C)CC(=O)N3CCN(S(=O)(=O)c4ccccc4)CC3)c2C)ccc1F,SQAUMZQJWUAYGN-UHFFFAOYSA-N
-rxn:4:218696:223279,Cc1nn(C(C)CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c(C)c1-c1cnc(C2CCCN2)nc1,VBTLZJOLPJEXRL-UHFFFAOYSA-N
-rxn:4:218699:223179,CONC(=O)c1cc(-c2cccc(-c3ccc(C#N)c(N4CCCN(C(=O)OC(C)(C)C)CC4)n3)c2)ccc1F,VOROAIGKBASUNW-UHFFFAOYSA-N
-rxn:4:218699:226844,CC(C)(C)OC(=O)N1CCCN(c2nc(-c3cccc(-c4ccnc(C(=O)C(F)(F)F)c4)c3)ccc2C#N)CC1,LSYXDWGLPNTPAQ-UHFFFAOYSA-N
-rxn:4:218706:223179,CONC(=O)c1cc(-c2c(C)nn(CCC(=O)N3CCN(S(=O)(=O)c4ccc(C)c(C)c4)CC3)c2C)ccc1F,ICUKZUPFLWOCCT-UHFFFAOYSA-N
-rxn:4:218707:223179,CONC(=O)c1cc(-c2c(C)nn(C(C)CC(=O)N3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)c2C)ccc1F,HIQTZDALGNLAQM-UHFFFAOYSA-N
-rxn:4:218707:223279,Cc1ccc(S(=O)(=O)N2CCN(C(=O)CC(C)n3nc(C)c(-c4cnc(C5CCCN5)nc4)c3C)CC2)cc1,IDIBROJKCHSQSO-UHFFFAOYSA-N
-rxn:4:218711:223279,CC(C)(C)OC(=O)N1CCN(C2CCN(c3ccc([N+](=O)[O-])cc3-c3cnc(C4CCCN4)nc3)CC2)CC1,PPXLWQHTMSOVAJ-UHFFFAOYSA-N
-rxn:4:218711:225954,CC(C)(C)OC(=O)N1CCN(C2CCN(c3ccc([N+](=O)[O-])cc3-c3cnc(-c4cnccn4)cc3F)CC2)CC1,HGEVQWPKWPDPAE-UHFFFAOYSA-N
-rxn:4:218711:226844,CC(C)(C)OC(=O)N1CCN(C2CCN(c3ccc([N+](=O)[O-])cc3-c3ccnc(C(=O)C(F)(F)F)c3)CC2)CC1,KYWBVQVGMOKPNN-UHFFFAOYSA-N
-rxn:4:218711:228094,CCCOc1cncc(-c2cc([N+](=O)[O-])ccc2N2CCC(N3CCN(C(=O)OC(C)(C)C)CC3)CC2)c1,FBNAUZMSHMOBLV-UHFFFAOYSA-N
-rxn:4:218712:223179,CONC(=O)c1cc(-c2c(C)nn(C(C)CC(=O)N3CCN(S(=O)(=O)c4ccc(C)cc4C)CC3)c2C)ccc1F,ZGJBXKQNDMMXOO-UHFFFAOYSA-N
-rxn:4:218712:225977,Cc1ccc(S(=O)(=O)N2CCN(C(=O)CC(C)n3nc(C)c(-c4cc(Cl)cnc4N4CCOCC4)c3C)CC2)c(C)c1,OIZYVDNXWWDMNZ-UHFFFAOYSA-N
-rxn:4:218713:223179,CONC(=O)c1cc(-c2c(C)nn(C(C)CC(=O)N3CCN(S(=O)(=O)c4ccc(C)c(C)c4)CC3)c2C)ccc1F,OUJQOFBTCKGCOW-UHFFFAOYSA-N
-rxn:4:218714:223179,CONC(=O)c1cc(-c2c(C)nn(CCC(=O)N3CCN(S(=O)(=O)c4c(C)cc(C)cc4C)CC3)c2C)ccc1F,YKXYVLUDBRUEQD-UHFFFAOYSA-N
-rxn:4:218714:224501,Cc1cc(C)c(S(=O)(=O)N2CCN(C(=O)CCn3nc(C)c(-c4ccc(OCC5CCCCN5C)cc4)c3C)CC2)c(C)c1,UHMRNGOCPRLVMY-UHFFFAOYSA-N
-rxn:4:218768:223179,CONC(=O)c1cc(-c2cc(CCC(=O)N3Cc4cnc(N5CCOCC5)nc4C3)ccc2OC)ccc1F,IPASLUSLFHGRRV-UHFFFAOYSA-N
-rxn:4:218768:227480,CCCOc1nccc(-c2cc(CCC(=O)N3Cc4cnc(N5CCOCC5)nc4C3)ccc2OC)c1Cl,SIPYEMJTTRMHDQ-UHFFFAOYSA-N
-rxn:4:218769:223179,CONC(=O)c1cc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCCC4)CC3)c2)ccc1F,MPAWZPAFKBYZSZ-UHFFFAOYSA-N
-rxn:4:218772:223179,CONC(=O)c1cc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCOCC4)CC3)c2)ccc1F,BHTPWZYIHXULJM-UHFFFAOYSA-N
-rxn:4:218772:223279,O=C(CN1CCN(C(=O)Cn2ccc3cc(-c4cnc(C5CCCN5)nc4)ccc32)CC1)N1CCOCC1,KBGGTNPAFMQXQU-UHFFFAOYSA-N
-rxn:4:218773:226844,O=C(CSc1nc2c(c(=O)n1-c1ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc1)SCC2)N1CCN(c2ccccc2)CC1,QVDKQCPSXMOGNE-UHFFFAOYSA-N
-rxn:4:218775:226844,O=C(CN1CCN(C(=O)Cn2ccc3cc(-c4ccnc(C(=O)C(F)(F)F)c4)ccc32)CC1)N1CCCCCC1,PVBSJLRGUCXUOQ-UHFFFAOYSA-N
-rxn:4:218775:228615,CSc1ccc(C)cc1-c1ccc2c(ccn2CC(=O)N2CCN(CC(=O)N3CCCCCC3)CC2)c1,JOBOJPAIEABJIL-UHFFFAOYSA-N
-rxn:4:218777:223179,CONC(=O)c1cc(-c2c(C)nn(C(C)CC(=O)N3CCN(S(=O)(=O)c4ccc5ccccc5c4)CC3)c2C)ccc1F,DYTHQZMIRQVYJF-UHFFFAOYSA-N
-rxn:4:218777:226180,Cc1cc(-c2c(C)nn(C(C)CC(=O)N3CCN(S(=O)(=O)c4ccc5ccccc5c4)CC3)c2C)cc(C2CCCC2)n1,LRSAPJPWYCBGAR-UHFFFAOYSA-N
-rxn:4:218787:223279,CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C2CCCCC2)c1=NC(=O)c1cccc(-c2cnc(C3CCCN3)nc2)c1,QXXMQLKEPMAWRZ-UHFFFAOYSA-N
-rxn:4:218787:223860,CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C2CCCCC2)c1=NC(=O)c1cccc(-c2ccccc2CN2CCCc3ccccc32)c1,GNHJDUMCVDWNIF-UHFFFAOYSA-N
-rxn:4:218799:223583,COC(=O)c1ccc2c(-c3ccc(C(=O)N4CCC(Oc5nccnc5C#N)C4)o3)cn(C(=O)OC(C)(C)C)c2c1,ITACJVHNNMIUGR-UHFFFAOYSA-N
-rxn:4:218831:224196,CCN1CCN(Cc2cc(F)cc(-c3cnc(OCC4CCN(C(=O)c5cscn5)CC4)nc3)c2)CC1,UXLHPGYPCNVIKO-UHFFFAOYSA-N
-rxn:4:218846:226844,O=C(CN1C(=O)CCC1=O)N1CCC(Oc2ncc(-c3ccnc(C(=O)C(F)(F)F)c3)cn2)C1,SLOSZHMLBKPIFU-UHFFFAOYSA-N
-rxn:4:218867:223184,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3cnc(N4CCNCC4)nc3)c2)no1,WHFCHSDTZFBXSI-UHFFFAOYSA-N
-rxn:4:218867:226374,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3cncnc3C3CCCCC3)c2)no1,JCOWMBIDJBDIJB-UHFFFAOYSA-N
-rxn:4:218868:222656,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3ccc(C(=O)NC4CCCCC4)c(F)c3)cc2)no1,FPTAZTYXFHPJPA-UHFFFAOYSA-N
-rxn:4:218868:226428,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3cc(N4CCCCC4C)cs3)cc2)no1,OWDJMNARZZWMKT-UHFFFAOYSA-N
-rxn:4:218877:223179,CONC(=O)c1cc(-c2cnc(OC3CCCN(C(=O)CN4CCOC4=O)C3)nc2)ccc1F,KJHVELAOKSHRHB-UHFFFAOYSA-N
-rxn:4:218877:226844,O=C(CN1CCOC1=O)N1CCCC(Oc2ncc(-c3ccnc(C(=O)C(F)(F)F)c3)cn2)C1,VPYFUIXVYJXYQQ-UHFFFAOYSA-N
-rxn:4:218885:222634,Cc1ncsc1C(=O)N1CCC(COc2ncc(-c3ccc(OCCNC4CCCC4)c(F)c3)cn2)CC1,VKRXUTSHSBJYIN-UHFFFAOYSA-N
-rxn:4:218885:223532,Cc1ncsc1C(=O)N1CCC(COc2ncc(-c3cc(F)cc(CN4CCN(C(=O)OC(C)(C)C)CC4)c3)cn2)CC1,YDHUVFPJMINQOK-UHFFFAOYSA-N
-rxn:4:218885:224589,Cc1ncsc1C(=O)N1CCC(COc2ncc(-c3ccc(F)cc3CN3CCC(C)CC3)cn2)CC1,UXKHSAQIPFLAPB-UHFFFAOYSA-N
-rxn:4:218899:222848,CCc1cc(-c2cnc(OC3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)nc2)cc(C2CCCNC2)n1,BMGPKCLIAKQNBX-UHFFFAOYSA-N
-rxn:4:218903:226844,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2C#N)CC1,MBZIRPXYSBUNLO-UHFFFAOYSA-N
-rxn:4:218917:223179,CONC(=O)c1cc(-c2cnc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)nc2)ccc1F,XWRQBNVMXWORPG-UHFFFAOYSA-N
-rxn:4:218917:223279,CC(C)(C)OC(=O)N1CCN(C(=O)c2ncc(-c3cnc(C4CCCN4)nc3)cn2)CC1,BICCIOITQUFYSU-UHFFFAOYSA-N
-rxn:4:218943:226844,CN(c1cnc(-c2ccnc(C(=O)C(F)(F)F)c2)cn1)C1CCN(C(=O)OC(C)(C)C)C1,IGTYAYQUVTWAHA-UHFFFAOYSA-N
-rxn:4:218944:223279,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3cnc(C4CCCN4)nc3)cc2[N+](=O)[O-])CC1,HPJCRHYYCWDARZ-UHFFFAOYSA-N
-rxn:4:218945:225827,CN1CCN(c2cc(-c3cncc([N+](=O)[O-])c3N3CCN(C(=O)OC(C)(C)C)CC3)ccn2)CC1,VNCVGNGPRPYMHN-UHFFFAOYSA-N
-rxn:4:218945:226844,CC(C)(C)OC(=O)N1CCN(c2c(-c3ccnc(C(=O)C(F)(F)F)c3)cncc2[N+](=O)[O-])CC1,VUMOVNXGLMIPRE-UHFFFAOYSA-N
-rxn:4:218948:226649,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ncc(-c3cccnc3N3CCOCC3)cn2)CC1,PPVMVTLOKNEPPS-UHFFFAOYSA-N
-rxn:4:218964:226844,CC(=O)N1CCC(C(=O)N2CC(Cn3cc(-c4ccnc(C(=O)C(F)(F)F)c4)cn3)C2)CC1,DKAJHMCPHJHPMG-UHFFFAOYSA-N
-rxn:4:218972:224592,Cc1nc(C)c(C(=O)N2CCCC(COc3ncc(-c4cc(C5(C#N)CCCCC5)ccc4F)cn3)C2)s1,MWKPPSPDGGTEJB-UHFFFAOYSA-N
-rxn:4:218983:226844,COc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)c(C(=O)N2CCN(c3ccc(C(F)(F)F)nn3)CC2)c1,VYQRTIIKJAXVBI-UHFFFAOYSA-N
-rxn:4:218992:223179,CONC(=O)c1cc(-c2cnn(CC3CN(C(=O)C4CCN(S(C)(=O)=O)CC4)C3)c2)ccc1F,UEXMWQFUHWXJRH-UHFFFAOYSA-N
-rxn:4:218995:224247,Cc1cc(C)n(CCN2CCN(C(=O)c3ccc(-c4ccc(C(=O)N5CCC(C)CC5)cc4F)o3)CC2)n1,SYSVCKOKOCXHRF-UHFFFAOYSA-N
-rxn:4:218998:226246,CCCCOc1cccc(-c2cnc(OCC3CCCN(C(=O)N4CCOCC4)C3)nc2)c1F,SSSDMCVRRRUSID-UHFFFAOYSA-N
-rxn:4:219016:226844,CN(c1ncccc1C(F)(F)F)C1CCCN(C(=O)c2cncc(-c3ccnc(C(=O)C(F)(F)F)c3)c2)C1,MFKKLPXLJURILG-UHFFFAOYSA-N
-rxn:4:219029:223279,CC1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1cnn(C)c1-c1cnc(C2CCCN2)nc1,KLPQRWYGDOZPNR-UHFFFAOYSA-N
-rxn:4:219042:223179,CONC(=O)c1cc(-c2cn(C)nc2CN2CCN(C(=O)OC(C)(C)C)CC2C)ccc1F,UJTJPEWYTSFPGI-UHFFFAOYSA-N
-rxn:4:219043:223179,CONC(=O)c1cc(-c2cn(C)nc2CN2CCN(C(=O)OC(C)(C)C)C(C)C2)ccc1F,GDVMLQHCFQJUOG-UHFFFAOYSA-N
-rxn:4:219046:224196,CCN1CCN(Cc2cc(F)cc(-c3cnc(OCC4CCCN(C5CCN(C6CC6)C5=O)C4)nc3)c2)CC1,ULGBXNUSDIOTKF-UHFFFAOYSA-N
-rxn:4:219061:226844,CS(=O)(=O)N1CCC(C(=O)N2CCCC(Oc3ncc(-c4ccnc(C(=O)C(F)(F)F)c4)cn3)C2)CC1,RGOQIMAZESROTJ-UHFFFAOYSA-N
-rxn:4:219063:224329,Cn1nc(-c2ccccc2)cc1C(=O)N1CCC(Oc2ncccc2-c2ccc(C(=O)N3CCC(=O)CC3)c(F)c2)CC1,DUIMTBLXJRDENN-UHFFFAOYSA-N
-rxn:4:219072:223179,CONC(=O)c1cc(-c2cccc(-c3nnc(CC(=O)N4CCN(C5CCCCC5)CC4)o3)c2)ccc1F,XLTGGNVDBIAGBC-UHFFFAOYSA-N
-rxn:4:219072:226844,O=C(Cc1nnc(-c2cccc(-c3ccnc(C(=O)C(F)(F)F)c3)c2)o1)N1CCN(C2CCCCC2)CC1,KCUZYSNLHMYZGP-UHFFFAOYSA-N
-rxn:4:219080:223830,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(OC)cc3C(=O)N3CCN(c4c(C)nn(-c5ccccc5)c4C)CC3)ccc2C)CC1,CAWPZBDAXCLRMU-UHFFFAOYSA-N
-rxn:4:219107:223093,CCC(=O)C1=C(c2ccc(-c3cncc(NS(=O)(=O)C(C)C)c3)cc2)N(C(=O)CC)n2c(C)nnc2S1,NSMHZSJYHHWQQW-UHFFFAOYSA-N
-rxn:4:219120:223670,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2cncc(C(=O)N3CC4CCCC4(COc4ncc(F)cn4)C3)c2)CC1,BTUUONCEKFUESX-UHFFFAOYSA-N
-rxn:4:219129:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cnc(OCC4CCCN(Cc5nc6c(s5)CCC6)C4)nc3)c2Cl)CC1,ROWWKHLHRJQGJE-UHFFFAOYSA-N
-rxn:4:219135:226844,COc1ccc(N2C(=O)C3N=NN(Cc4ccc(OC)c(-c5ccnc(C(=O)C(F)(F)F)c5)c4)C3C2=O)cc1,IXNUHVRKEGPJMB-UHFFFAOYSA-N
-rxn:4:219144:226844,O=C1c2ccccc2C(=O)N1CCN1CCC(Oc2ncc(-c3ccnc(C(=O)C(F)(F)F)c3)cn2)CC1,MFFDOPVVMWUYIX-UHFFFAOYSA-N
-rxn:4:219207:223179,CONC(=O)c1cc(-c2ccc(-c3csc(N4CCN(CCN5C(=O)C6C7C=CC(C7)C6C5=O)CC4)n3)cc2)ccc1F,LMNIDWIOFOVBTF-UHFFFAOYSA-N
-rxn:4:219243:223637,CC(C)(C)OC(=O)N1CCCC(c2ccccc2-c2ncn(C3CN(C(=O)OC(C)(C)C)C3)n2)C1,IABZVIIWRZAPFM-UHFFFAOYSA-N
-rxn:4:219256:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cc(F)ccc3CC(=O)N3CC(n4nccn4)C3)c(F)c2)CC1,ZXDASOWSYPYWOY-HZCBDIJESA-N
-rxn:4:219320:223979,O=C(c1cc(-c2cnccc2OC2CCN(c3nccc(C(F)(F)F)n3)C2)cc([N+](=O)[O-])c1)N1CCCCC1,CCEGCJYQKDDSES-UHFFFAOYSA-N
-rxn:4:219334:222634,CC(C)(C)OC(=O)N1CCN(c2nnc(-c3ccc(OCCNC4CCCC4)c(F)c3)s2)CC1,XZDXPWDDKHSSJM-UHFFFAOYSA-N
-rxn:4:219338:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3cnc(OC4CCN(C(=O)N(C)C)CC4)nc3)cc21,GGGDPHPQFRBUSI-UHFFFAOYSA-N
-rxn:4:219371:223480,Cc1cc(-c2nncn2C2CCN(C(=O)OC(C)(C)C)CC2)cc(C)c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,PFSXSNMSBIAHCQ-UHFFFAOYSA-N
-rxn:4:219381:226118,CCC(C)Oc1ccc(-c2cnc(SC)nc2N2CCN(S(=O)(=O)C3CC3)CC2)cc1C,SYPVHXWOUGAVKY-UHFFFAOYSA-N
-rxn:4:219404:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3cncc(N4CCN(C(=O)OC(C)(C)C)CC4)n3)cc2)CC1,JMYIKXYKRJHGHN-YHBQERECSA-N
-rxn:4:219410:226994,CCCOc1ccc(C)cc1-c1cnc(OC2CCN(S(=O)(=O)N3CCOCC3)C2)nc1,DBCGIKZBXJURKP-UHFFFAOYSA-N
-rxn:4:219414:223179,CONC(=O)c1cc(-c2cnc(N3CCOC(C(=O)N4CCCC4)C3)c(C#N)c2)ccc1F,JJMNGCPGURTVGI-UHFFFAOYSA-N
-rxn:4:219437:223650,COc1ccccc1N1CCN(c2ncc(-c3ccccc3N3CCN(C(=O)OC(C)(C)C)CC3)cc2C#N)CC1,LAYJGNXSLONDNM-UHFFFAOYSA-N
-rxn:4:219451:226844,Cn1cc(-c2ccnc(C(=O)C(F)(F)F)c2)c(C(=O)N2CCCN(CC3CC3)CC2)n1,AGIOUZBMFWPXJR-UHFFFAOYSA-N
-rxn:4:219452:223179,CONC(=O)c1cc(-c2nc(C)nn2C2CCN(C(=O)OC(C)(C)C)CC2)ccc1F,BOHFQAJFGBLRLR-UHFFFAOYSA-N
-rxn:4:219456:223179,CONC(=O)c1cc(-c2cnn(C3CCN(C(=O)OC(C)(C)C)CC3C)n2)ccc1F,UODRGEUKGUYFMH-UHFFFAOYSA-N
-rxn:4:219457:226844,CC1CN(C(=O)OC(C)(C)C)CCC1n1cc(-c2ccnc(C(=O)C(F)(F)F)c2)nn1,IBQDKELXYFWTLO-UHFFFAOYSA-N
-rxn:4:219462:223179,CONC(=O)c1cc(-c2cnc(OC3CCCN(S(=O)(=O)N4CCCC4)C3)nc2)ccc1F,RBFIDCAAZJPSNR-UHFFFAOYSA-N
-rxn:4:219468:222894,CCCCS(=O)(=O)Nc1cccc(-c2cnc(OC3CCN(C(=O)N4CCOCC4)CC3)nc2)c1,OFMBFPKBYDEBKF-UHFFFAOYSA-N
-rxn:4:219468:223179,CONC(=O)c1cc(-c2cnc(OC3CCN(C(=O)N4CCOCC4)CC3)nc2)ccc1F,RLOFUPWGOGNPFB-UHFFFAOYSA-N
-rxn:4:219468:223279,O=C(N1CCOCC1)N1CCC(Oc2ncc(-c3cnc(C4CCCN4)nc3)cn2)CC1,GYASJUFYCAQNGK-UHFFFAOYSA-N
-rxn:4:219469:225551,CCOc1cc(-c2cnc(SC)nc2N2CCCN(S(=O)(=O)C3CC3)CC2)ccc1OC(C)C,XWAZDDJMFZWHLI-UHFFFAOYSA-N
-rxn:4:219489:223766,Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1cc2cc(C#N)ccc2n1C(=O)OC(C)(C)C,ZHFFDFLQCJQTSC-UHFFFAOYSA-N
-rxn:4:219497:226844,N#Cc1cc(-c2ccnc(C(=O)C(F)(F)F)c2)cnc1N1CCOC(C(=O)N2CCCCC2)C1,SFCVPHHGQCICSJ-UHFFFAOYSA-N
-rxn:4:219499:226844,N#Cc1cc(-c2ccnc(C(=O)C(F)(F)F)c2)cnc1N1CCCC(C(=O)N2CCOCC2)C1,LYKCASJJVLHGNI-UHFFFAOYSA-N
-rxn:4:219501:226488,CSc1ncc(-c2ccc(OCCCF)c(F)c2)c(N2CCOC(C(=O)N3CCOCC3)C2)n1,DPFJQAIVYKJSPV-UHFFFAOYSA-N
-rxn:4:219515:223179,CONC(=O)c1cc(-c2nnc(N3CC4(CCN(C(=O)OC(C)(C)C)CC4)C3)s2)ccc1F,RIKYPIFXWPGFMS-UHFFFAOYSA-N
-rxn:4:219515:226844,CC(C)(C)OC(=O)N1CCC2(CC1)CN(c1nnc(-c3ccnc(C(=O)C(F)(F)F)c3)s1)C2,HTZXMZVQGUHRGZ-UHFFFAOYSA-N
-rxn:4:219517:223179,CONC(=O)c1cc(-c2cnc(OCC3CCCN(C4CCN(C)C4=O)C3)nc2)ccc1F,JWBIUNCQSASLSE-UHFFFAOYSA-N
-rxn:4:219517:224190,COc1ccc(-c2cnc(OCC3CCCN(C4CCN(C)C4=O)C3)nc2)cc1O[Si](C)(C)C(C)(C)C,ROAIPOSBNQQVRX-UHFFFAOYSA-N
-rxn:4:219530:226844,O=C1C(N2CCC(Oc3ncc(-c4ccnc(C(=O)C(F)(F)F)c4)cn3)CC2)CCN1C1CC1,JXIGEFHCJWDZDT-UHFFFAOYSA-N
-rxn:4:219539:225180,Cn1nc(C2CC2)cc1N1CCN(C(=O)c2ccccc2-c2ccc(C(=O)N3CCCC3)cc2Cl)CC1,XLDGUXBHLMCFLQ-UHFFFAOYSA-N
-rxn:4:219548:223812,O=C(c1ccccc1-c1cc(F)cc(CN2CCC3(CC2)OCCO3)c1)N1CCN(c2cc(-c3ccc(F)cc3)n[nH]2)CC1,LHRXDQAHWNFHDB-UHFFFAOYSA-N
-rxn:4:219554:223899,COc1cc(C(=O)N(C(C)C)C(C)C)ccc1-c1ccc(C2=NN(C(C)=O)C(c3cn(-c4ccccc4)nc3C)C2)cc1,GFDMNXOLBMJQDK-UHFFFAOYSA-N
-rxn:4:219560:226844,Cc1nc(S(=O)(=O)N2CCCN(C(=O)c3ccccc3-c3ccnc(C(=O)C(F)(F)F)c3)CC2)cn1C,PUPYTQWMOJQBPT-UHFFFAOYSA-N
-rxn:4:219650:223179,CONC(=O)c1cc(-c2cc(CN3N=NC4C(=O)N(c5ccc(Cl)cc5)C(=O)C43)ccc2OC)ccc1F,IADAVNMIEURVHS-UHFFFAOYSA-N
-rxn:4:219689:225712,CCOC(=O)COc1ccc(-c2cnc3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)cn23)cc1,TVNNTFWEFUTGPW-UHFFFAOYSA-N
-rxn:4:219691:226844,CC(C)(C)OC(=O)N1CCCC(c2cc(Cl)n3ncc(-c4ccnc(C(=O)C(F)(F)F)c4)c3n2)C1,UROBYJULOOEPFG-UHFFFAOYSA-N
-rxn:4:219716:224392,Cc1cc(N2CC3CN(C(=O)Cc4ccc(-c5cc(S(=O)(=O)N6CCOCC6)ccc5C)cc4)CC3C2)ncn1,DJOLCYMNGMXOJX-UHFFFAOYSA-N
-rxn:4:219742:222651,O=C(NC1CCCCC1)c1ccc(F)c(-c2cncc(C(=O)N3CCC(Cn4nc5c(cc4=O)CCC5)CC3)c2)c1,LRRWFLZZXLJKSS-UHFFFAOYSA-N
-rxn:4:219759:223179,CCN1CCN(C(=O)c2cc3n(n2)CC(c2ccc(-c4ccc(F)c(C(=O)NOC)c4)cc2)OC3)CC1,YSYJHLUOIBWXBG-UHFFFAOYSA-N
-rxn:4:219764:223279,CC(C)(C)OC(=O)N1C2CCC1CN(c1nc(F)nc3c(F)c(-c4cnc(C5CCCN5)nc4)c(Cl)cc13)C2,ZKJMYYVDYKDWNZ-UHFFFAOYSA-N
-rxn:4:219853:224126,CCN1CCN(C(C)c2cccc(-c3cnc(N4CCN(C(C)=O)CC4)c(C#N)c3)c2)CC1,OPZMUCMJPURWHV-UHFFFAOYSA-N
-rxn:4:219904:224325,CN(C)S(=O)(=O)N1CCC(c2cnc(-c3ccc(C4=CCN(S(C)(=O)=O)CC4)cc3)cn2)CC1,NBCWWCPLQWXCST-UHFFFAOYSA-N
-rxn:4:219937:224325,Cn1cnc(S(=O)(=O)N2CCOC(c3cccc(-c4ccc(C5=CCN(S(C)(=O)=O)CC5)cc4)n3)C2)c1,GGEDOGHZFQLMRH-UHFFFAOYSA-N
-rxn:4:219961:223754,Cc1ccc(N2CCN(C(=O)c3cccc(-c4ccc(OCCCN5CCC(C)CC5)c(Cl)c4)c3)CC2)nn1,DYEMZNBOFRLAPI-UHFFFAOYSA-N
-rxn:4:219981:223179,CONC(=O)c1cc(-c2cnc(N3CCCC(C(=O)N4CCSCC4)C3)nc2)ccc1F,QDTZODLTLUSBPB-UHFFFAOYSA-N
-rxn:4:219988:223179,CONC(=O)c1cc(-c2cnc(N3CCCC(C(=O)N4CCOCC4)C3)nc2)ccc1F,PPORKMHOCBBFHK-UHFFFAOYSA-N
-rxn:4:219988:224713,CCCCOc1ccc(-c2cnc(N3CCCC(C(=O)N4CCOCC4)C3)nc2)c(C(F)(F)F)c1,NVBPGRNIJZZBEQ-UHFFFAOYSA-N
-rxn:4:219998:223179,CONC(=O)c1cc(-c2cnc(N3CCC(C(=O)N4CCC(F)(F)CC4)CC3)nc2)ccc1F,KZJHYBQOPLFIQH-UHFFFAOYSA-N
-rxn:4:219998:223279,O=C(C1CCN(c2ncc(-c3cnc(C4CCCN4)nc3)cn2)CC1)N1CCC(F)(F)CC1,QBXRQYZDIORBGW-UHFFFAOYSA-N
-rxn:4:219998:226844,O=C(C1CCN(c2ncc(-c3ccnc(C(=O)C(F)(F)F)c3)cn2)CC1)N1CCC(F)(F)CC1,DYOBHBGFORLHAF-UHFFFAOYSA-N
-rxn:4:220021:223952,CCCC(=O)N1CCn2nc(-c3ccc(OCCN4CCN(C)CC4)c(Cl)c3)nc2C1,TVLZOTUHLNYFGF-UHFFFAOYSA-N
-rxn:4:220021:223953,CCCC(=O)N1CCn2nc(-c3cc(F)cc(N4CCN(CCOC)CC4)c3)nc2C1,JUXHBYHKVRPCOY-UHFFFAOYSA-N
-rxn:4:220040:224624,CC(C)(C)COC(=O)c1ccc(Cl)cc1-c1nc2n(n1)CCN(C(=O)OC(C)(C)C)C2,QPMKDKSDPGCYDO-UHFFFAOYSA-N
-rxn:4:220041:224160,CC(C)(C)OC(=O)N1CCn2nnc(-c3ccc4c(c3)CCN4C(=O)OC(C)(C)C)c2C1,LDMHURVPZRIRED-UHFFFAOYSA-N
-rxn:4:220124:223651,Cc1nc(C2CCN(C(=O)OC(C)(C)C)C2)ccc1-c1ccc(Cl)c(C(=O)N2C3CCC2CC(n2ccnn2)C3)c1,LOFGRALWZBTLIG-UHFFFAOYSA-N
-rxn:4:220136:225890,C[Si](C)(C)CCOCn1cc(-c2ccc3ncnc(N4CCN(S(=O)(=O)C5CC5)CC4)c3c2)cn1,BLOZPUZYPSHUKW-UHFFFAOYSA-N
-rxn:4:220141:226844,Cn1nc2cc(-c3ccnc(C(=O)C(F)(F)F)c3)ccc2c1C(=O)N1CCC(N2C(=O)CSC2=O)C1,SOKUKOJRIGGJGB-UHFFFAOYSA-N
-rxn:4:220158:223748,O=S(=O)(c1ccccc1-c1cc(N2CCCCC2)cc(N2CCCCC2)c1)N1CC2CN(c3cnccn3)CC2C1,OOJNMLBFMBIMGV-UHFFFAOYSA-N
-rxn:4:220266:225733,CCCCOc1cc(-c2nc3c(=O)n(C)c(=O)n(C)c3n2CC(=O)C23CC4CC(CC(C4)C2)C3)c(F)cc1F,XOLNRCAULOBVOC-UHFFFAOYSA-N
-rxn:4:220491:224286,CC(C)(C)C(=O)N1CCn2nc(-c3ccc(OCCN4CCOCC4)c(Cl)c3)nc2C1,KECSESKSYFHZSX-UHFFFAOYSA-N
-rxn:4:221098:223179,CONC(=O)c1cc(-c2cnc(OCC3CCN(C(=O)c4cn(C)nc4C(F)F)CC3)nc2)ccc1F,HQGXLTYWENOHEK-UHFFFAOYSA-N
-rxn:4:221099:226844,Cn1cc(C(=O)N2CCCC(COc3ncc(-c4ccnc(C(=O)C(F)(F)F)c4)cn3)C2)c(C(F)F)n1,DBUPOCHXPFIKFA-UHFFFAOYSA-N
-rxn:4:221105:223179,CCn1cc(S(=O)(=O)N2CCCC(COc3ncc(-c4ccc(F)c(C(=O)NOC)c4)cn3)C2)nc1C,MEERMBGGPZGPEI-UHFFFAOYSA-N
-rxn:4:221107:225898,Cc1ncn(CC(=O)N2CCCC(COc3ncc(-c4cnn(CCN5CCOCC5)c4)cn3)C2)c(=O)c1C,KXEZPYJYINQDBF-UHFFFAOYSA-N
-rxn:4:221110:228891,CN1CCN(CC#CCOC2CCN(c3ncc(-c4cncc(Cl)c4C#N)cn3)CC2)CC1,IXVHXQFKKZZXCK-UHFFFAOYSA-N
-rxn:4:221111:223179,CONC(=O)c1cc(-c2cccc(N3CC(C(=O)N4CCN(CCn5ccnc5)CC4)CC3=O)c2)ccc1F,AIYGYHPZMHAXHJ-UHFFFAOYSA-N
-rxn:4:221112:223179,CCOc1ccc(-c2ccc(F)c(C(=O)NOC)c2)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N(C)C)n2)CC1,BQYFRIFWYOUBFE-UHFFFAOYSA-N
-rxn:4:221113:226844,O=C(Cc1ccccc1-c1ccnc(C(=O)C(F)(F)F)c1)N1CCN(Cc2nncn2C2CCCCC2)CC1,MWHZASPEYZZFIX-UHFFFAOYSA-N
-rxn:4:221115:223560,CCOc1ccc(-c2ccc(-c3cc(C(=O)OC)c4ccccc4n3)cc2)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N3CCOCC3)n2)CC1,LOYSXOJETSORAX-UHFFFAOYSA-N
-rxn:4:221115:226844,CCOc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N3CCOCC3)n2)CC1,CWGGICPMNKXYRB-UHFFFAOYSA-N
-rxn:4:221126:226844,CCOC(=O)C1CCCN(c2nc3c(S(=O)(=O)c4ccc(-c5ccnc(C(=O)C(F)(F)F)c5)cc4)nnn3c3ccsc23)C1,RJRLVAVZHSDWBS-UHFFFAOYSA-N
-rxn:4:221127:223179,CCOC(=O)C1CCN(c2nc3c(S(=O)(=O)c4ccc(-c5ccc(F)c(C(=O)NOC)c5)cc4)nnn3c3ccsc23)CC1,ONENJVNIZWDZPE-UHFFFAOYSA-N
-rxn:4:221127:223489,CCOC(=O)C1CCN(c2nc3c(S(=O)(=O)c4ccc(-c5ccc(S(=O)(=O)N6CCC(O[Si](C)(C)C(C)(C)C)CC6)cc5)cc4)nnn3c3ccsc23)CC1,MWOWUAHYMHWREW-UHFFFAOYSA-N
-rxn:4:221129:223179,CCOC(=O)C1CCN(c2nc3c(S(=O)(=O)c4ccc(-c5ccc(F)c(C(=O)NOC)c5)cc4)nnn3c3ccccc23)CC1,CNNUQMHDTDSCEI-UHFFFAOYSA-N
-rxn:4:221145:222745,CN(C1CN(c2nccnc2C#N)C1)S(=O)(=O)c1ccccc1-c1cccc(CNC(=O)OC(C)(C)C)c1,AUOFPQDAEKNNFL-UHFFFAOYSA-N
-rxn:4:221152:223743,Cc1ccc(-c2cnc(OCC3CCCN(C(=O)c4snnc4C)C3)nc2)cc1OCCCN1CCC(C)CC1,BOPFJCSDUXJLIN-UHFFFAOYSA-N
-rxn:4:221152:224370,Cc1nnsc1C(=O)N1CCCC(COc2ncc(-c3cc(C(F)(F)F)ccc3C(=O)OC(C)C)cn2)C1,NKYYZJBKTQMKSL-UHFFFAOYSA-N
-rxn:4:221154:222713,COc1ccc(S(=O)(=O)NC(C)(C)C)c(-c2cnc(OCC3CCCN(c4cccnc4C#N)C3)nc2)c1,XILINVXFMVAEQA-UHFFFAOYSA-N
-rxn:4:221154:224397,N#Cc1ncccc1N1CCCC(COc2ncc(-c3ccc(S(=O)(=O)N4CCC(=O)CC4)cc3)cn2)C1,FYNRHRHBFOIFTL-UHFFFAOYSA-N
-rxn:4:221159:222573,Cc1nc(CN2CCC(COc3ncc(-c4cc(F)cc(C(=O)NCC5CCCCC5)c4)cn3)CC2)no1,AXHVTPBFRVJAQP-UHFFFAOYSA-N
-rxn:4:221175:222479,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4cc(F)cc(C(=O)NCc5ccc(C)cc5)c4)cn3)C2)C(=O)C1=O,QQZLSIWDMFJQBR-UHFFFAOYSA-N
-rxn:4:221179:223532,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)cc(-c3cnc(OCC4CCCN(c5ccnc(C6CC6)n5)C4)nc3)c2)CC1,AKOCRWMAVABYFC-UHFFFAOYSA-N
-rxn:4:221179:223595,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(OCC4CCCN(c5ccnc(C6CC6)n5)C4)nc3)cc2F)CC1,SRDDQPMKGYXEHF-UHFFFAOYSA-N
-rxn:4:221181:224394,Cc1ccc(-c2cnc(OCC3CCCN(C(=O)c4cc(C)n(C)n4)C3)nc2)cc1S(=O)(=O)N1CCOCC1,LPBIIIQRUBWMHP-UHFFFAOYSA-N
-rxn:4:221182:226844,COCCN1C(=O)CN(C2CCN(c3ncc(-c4ccnc(C(=O)C(F)(F)F)c4)cn3)CC2)C1=O,FOUBWMSNWZEMHV-UHFFFAOYSA-N
-rxn:4:221193:223179,CONC(=O)c1cc(-c2cnc(OCC3CCCN(C(=O)N4CCN(C)CC4)C3)nc2)ccc1F,IIMKPGFHUJEHAY-UHFFFAOYSA-N
-rxn:4:221203:223179,CONC(=O)c1cc(-c2ccc(CCN3CCN(c4ccc(N5CCOCC5)nn4)CC3)cc2)ccc1F,YINBFFQHPVMANI-UHFFFAOYSA-N
-rxn:4:221203:226844,O=C(c1cc(-c2ccc(CCN3CCN(c4ccc(N5CCOCC5)nn4)CC3)cc2)ccn1)C(F)(F)F,AOXYWUWNBSRTSI-UHFFFAOYSA-N
-rxn:4:221205:223493,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccc(CCN2CCN(c3ccnc(N4CCOCC4)n3)CC2)cc1,ZGCWDMGXFXENLF-UHFFFAOYSA-N
-rxn:4:221205:224321,CC1CCN(S(=O)(=O)c2cccc(-c3ccc(CCN4CCN(c5ccnc(N6CCOCC6)n5)CC4)cc3)c2)CC1,ORKBHWCNQGOEPA-UHFFFAOYSA-N
-rxn:4:221207:223179,CONC(=O)c1cc(-c2ccc(CCN3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)ccc1F,VOIWXQXHZIIZFY-UHFFFAOYSA-N
-rxn:4:221207:223279,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4cnc(C5CCCN5)nc4)cc3)CC2)n1,FSUDYUCAEHCOBD-UHFFFAOYSA-N
-rxn:4:221207:226844,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3)CC2)n1,UPNRSYNNZQDXMV-UHFFFAOYSA-N
-rxn:4:221209:223279,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4cnc(C5CCCN5)nc4)cc3)CC2)n1,UGVQEXINNVHMCT-UHFFFAOYSA-N
-rxn:4:221233:222634,Cc1cn2nc(OCC3CCN(C(=O)c4cncc(-c5ccc(OCCNC6CCCC6)c(F)c5)c4)CC3)ccc2n1,NJYXMNNTDMQVMG-UHFFFAOYSA-N
-rxn:4:221249:223060,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc4c(-c5cc(Cl)nc(C6CCNCC6)c5)cnn4c3)cc2)CC1,FMDQCZSMVQZBLL-UHFFFAOYSA-N
-rxn:4:221249:223063,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc4c(-c5cc(F)nc(C6CCNCC6)c5)cnn4c3)cc2)CC1,ACLUPGKIGBZPDK-UHFFFAOYSA-N
-rxn:4:221249:225319,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc4c(-c5cc(F)c(F)c(N6CCOCC6)c5)cnn4c3)cc2)CC1,SIZRWFWMJSKBKK-UHFFFAOYSA-N
-rxn:4:221326:223896,COc1cccc(-c2cnn(CC3CN(C(=O)c4cc(C)n(C)n4)C3)c2)c1C(=O)N(C(C)C)C(C)C,PLSRQFIRCCGVSY-UHFFFAOYSA-N
-rxn:4:221334:223689,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(Cl)c(C(=O)N4CC(c5nc(-c6ncccn6)no5)C4)c3)ccc2OC)CC1,IMSHWCKBOXFBDI-UHFFFAOYSA-N
-rxn:4:221375:222546,Cn1cnc(N2CCCC(COc3ncc(-c4ccc(OCCNC5CCCCC5)c(F)c4)cn3)C2)cc1=O,ORLHBIOCOOLRRU-UHFFFAOYSA-N
-rxn:4:221380:225007,Cn1c(C(F)(F)F)nn(C2CCN(C(=O)c3cncc(-c4cccc(CN5CCCCC5)c4F)c3)CC2)c1=O,CADUBXSXTGNDDV-UHFFFAOYSA-N
-rxn:4:221387:222584,Cc1ncnc(OCC2CCN(c3ncc(-c4ccc(OCCCN5CCNCC5)c(F)c4)cn3)CC2)c1C,YZSUUVINHVDXBW-UHFFFAOYSA-N
-rxn:4:221398:223279,CN1CCN(C(=O)N2CCC(Oc3ncc(-c4cnc(C5CCCN5)nc4)cn3)CC2)CC1,UOFQPUADKXGMCP-UHFFFAOYSA-N
-rxn:4:221405:224127,CCN1CCN(C(C)c2ccc(-c3ccccc3CN3CCN(c4cc(N(C)C)ncn4)CC3)cc2)CC1,BVYPTVPSNLXJSA-UHFFFAOYSA-N
-rxn:4:221414:223179,CONC(=O)c1cc(-c2cncc(C(=O)N3CCCN(S(=O)(=O)c4cn(C)c(C)n4)CC3)c2)ccc1F,MLRQJBUXMPGLLZ-UHFFFAOYSA-N
-rxn:4:221421:223179,CONC(=O)c1cc(-c2cccc(C(=O)N3CCN(c4ccc(N5CCOCC5)nn4)CC3)c2)ccc1F,DKOSLLBAUAKFNB-UHFFFAOYSA-N
-rxn:4:221426:225902,CON(C)C(=O)c1ccc(-c2ccccc2CN2CCN(c3nccc(N4CCOCC4)n3)CC2)cc1F,DFCHBGRWOAFIMQ-UHFFFAOYSA-N
-rxn:4:221434:223179,CONC(=O)c1cc(-c2ccccc2C(=O)N2CCN(c3ccc(N4CCCCC4)nn3)CC2)ccc1F,IGFFLYJLIFXVNI-UHFFFAOYSA-N
-rxn:4:221437:223179,CONC(=O)c1cc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCCCCC5)nn4)CC3)o2)ccc1F,UGJUIRZYDDKLHL-UHFFFAOYSA-N
-rxn:4:221439:223179,CONC(=O)c1cc(-c2ccc(Cl)c(C(=O)N3CCN(c4ccc(N5CCCCC5)nn4)CC3)c2)ccc1F,UCFTXJYDFZMKEP-UHFFFAOYSA-N
-rxn:4:221440:223179,CONC(=O)c1cc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCCC5)n4)CC3)cc2)ccc1F,ZWTCKZPQAMDJMN-UHFFFAOYSA-N
-rxn:4:221441:226844,Cc1cc(N2CCOCC2)nc(N2CCN(Cc3cccc(-c4ccnc(C(=O)C(F)(F)F)c4)c3)CC2)n1,TYBWJFURKKPVOO-UHFFFAOYSA-N
-rxn:4:221442:222585,Cc1nc(N2CCOCC2)cc(N2CCN(Cc3ccccc3-c3ccccc3C(=O)NCCN3CCOCC3)CC2)n1,STAUFJXEPPXLBQ-UHFFFAOYSA-N
-rxn:4:221442:223179,CONC(=O)c1cc(-c2ccccc2CN2CCN(c3cc(N4CCOCC4)nc(C)n3)CC2)ccc1F,WMZFDGHCEVABSF-UHFFFAOYSA-N
-rxn:4:221445:223179,CONC(=O)c1cc(-c2cccc(CN3CCN(c4cc(C)nc(N5CCOCC5)n4)CC3)c2)ccc1F,UJPJJDAOYMTREZ-UHFFFAOYSA-N
-rxn:4:221449:223179,CONC(=O)c1cc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)ccc1F,HRXMOOVAQOSDSA-UHFFFAOYSA-N
-rxn:4:221451:223279,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccccc3-c3cnc(C4CCCN4)nc3)CC2)n1,SVXYYWDDSXIHHF-UHFFFAOYSA-N
-rxn:4:221451:226844,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccccc3-c3ccnc(C(=O)C(F)(F)F)c3)CC2)n1,VZKHNESRIADIAE-UHFFFAOYSA-N
-rxn:4:221452:223179,CONC(=O)c1cc(-c2cccc(C(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)c2)ccc1F,UGUQIQMYLLRDBX-UHFFFAOYSA-N
-rxn:4:221452:226844,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3cccc(-c4ccnc(C(=O)C(F)(F)F)c4)c3)CC2)n1,NMRKGKAJHCACEP-UHFFFAOYSA-N
-rxn:4:221453:223179,CONC(=O)c1cc(-c2ccc(C(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)ccc1F,DVHCYROEQOEWHT-UHFFFAOYSA-N
-rxn:4:221454:226844,O=C(c1ccccc1-c1ccnc(C(=O)C(F)(F)F)c1)N1CCN(c2ccc(N3CCCCCC3)nn2)CC1,GJQPZPHLQZJCCU-UHFFFAOYSA-N
-rxn:4:221455:223179,CONC(=O)c1cc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCCCCC5)nn4)CC3)cc2)ccc1F,HBJBUDZTXWKRGB-UHFFFAOYSA-N
-rxn:4:221456:226844,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3)CC2)n1,AFKHFCNLWDAMFM-UHFFFAOYSA-N
-rxn:4:221500:223841,Cc1cc(F)c(-c2ccc3c(ccn3CC(=O)N3CCN(c4ncccn4)CC3)c2)cc1S(=O)(=O)N1CCN(C)CC1,YSIOJVQKMBQQOC-UHFFFAOYSA-N
-rxn:4:221528:222546,CC(C)c1sc(-c2ccc(OCCNC3CCCCC3)c(F)c2)nc1C(=O)N1CCN(c2nc3ccccc3n2C)CC1,QCTHPZJYQJSCDS-UHFFFAOYSA-N
-rxn:4:221538:223834,Cc1cc(-c2ccc(Cn3c(CN4CCCCC4C)nc4c3c(=O)n(C)c(=O)n4C)cc2)cc(C)c1S(=O)(=O)N1CCN(C)CC1,WGXVQHQEAFPECP-UHFFFAOYSA-N
-rxn:4:221539:224392,Cc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1ccc(Cn2c(CN3CC(C)OC(C)C3)nc3c2c(=O)n(C)c(=O)n3C)cc1,SCLVGDNHZWWSHT-UHFFFAOYSA-N
-rxn:4:221553:222634,CCCCn1c(=O)c2c(nc3n2CCCN3c2ccc(-c3ccc(OCCNC4CCCC4)c(F)c3)cc2)n(C)c1=O,ZXYXDBPFWLOABJ-UHFFFAOYSA-N
-rxn:4:221604:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(-n4cnnn4)cc3C(=O)N3CCSCC3)c(F)c2)CC1,NUJMEDHUMBZQKV-HZCBDIJESA-N
-rxn:4:221642:226447,O=C1CN(C2CCN(c3ncc(-c4ccnc(C5CCOCC5)c4)cn3)CC2)C(=O)N1C1CC1,NPQJYIIYAYUEOT-UHFFFAOYSA-N
-rxn:4:221680:223945,O=c1cc2c(nn1CC1CN(c3ncc(-c4ccc(OCCCN5CCOCC5)c(F)c4)cn3)C1)CCC2,YAJVSCQFOJMYSF-UHFFFAOYSA-N
-rxn:4:221726:226583,CN(C1=NS(=O)(=O)c2ccccc21)C1CCN(c2ncc(-c3ccc(CN4CCOCC4)s3)cn2)CC1,WGGQBZQJPHUKOH-UHFFFAOYSA-N
-rxn:4:221740:223945,CC(=O)Cn1c(=O)c2c(nc3n2CCCN3c2ccc(-c3ccc(OCCCN4CCOCC4)c(F)c3)cc2)n(C)c1=O,GXRFNKOJIPQXOC-UHFFFAOYSA-N
-rxn:4:221782:222545,Cc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4ccc(C(C)(C)NC(=O)OC(C)(C)C)cc4)cc3)c(=O)n2C)c(C)c1,KGKAHYADJQXYPJ-UHFFFAOYSA-N
-rxn:4:221788:224374,COc1ccc(S(=O)(=O)N2CCCC2)cc1-c1ccc(Cn2c(=O)c3c(nc4n3CC(C)CN4c3ccc(C)cc3)n(C)c2=O)cc1,ZWWQYNUQVHHQCF-UHFFFAOYSA-N
-rxn:4:221792:223279,CC1CN(C2CCCCC2)c2nc3c(c(=O)n(Cc4ccc(-c5cnc(C6CCCN6)nc5)cc4)c(=O)n3C)n2C1,CDRVUDAVRGRFQI-UHFFFAOYSA-N
-rxn:4:221792:226844,CC1CN(C2CCCCC2)c2nc3c(c(=O)n(Cc4ccc(-c5ccnc(C(=O)C(F)(F)F)c5)cc4)c(=O)n3C)n2C1,VLXFEIJJHACVKL-UHFFFAOYSA-N
-rxn:4:221920:226844,CCOc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N3CCN(C)CC3)n2)CC1,OXSFSYWHKBWPQX-UHFFFAOYSA-N
-rxn:4:221937:222582,Cn1cc(C(=O)N2CCC(COc3ncc(-c4cccc(C(=O)NCCN5CCOCC5)c4)cn3)CC2)nn1,NZBRNOOVRZRBOZ-UHFFFAOYSA-N
-rxn:4:221938:222584,Cn1cc(C(=O)N2CCCC(COc3ncc(-c4ccc(OCCCN5CCNCC5)c(F)c4)cn3)C2)nn1,MMUATNAQBNJFHU-UHFFFAOYSA-N
-rxn:4:221943:222927,Cc1nc(N2CCCCC2O)ncc1-c1cncc(C(=O)N2CC(n3cc(CN4CCCC4=O)nn3)C2)c1,AYCJFVQJHLKEIE-UHFFFAOYSA-N
-rxn:4:221965:223279,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cnc(C6CCCN6)nc5)cc4)CC3)nn2)CC1,GSFBNPIHIAUIJL-UHFFFAOYSA-N
-rxn:4:221966:223581,COC(=O)c1cccc2cc(-c3ccc(-c4csc(N5CCN(c6ccc([N+](=O)[O-])c(-n7nc(C)cc7C)c6)CC5)n4)cc3)n(C(=O)OC(C)(C)C)c12,RLIGWYLKMRHDTK-UHFFFAOYSA-N
-rxn:4:221967:224188,CC(=O)C(C(=O)N(C)C)n1cnc2c(nnn2-c2ccc(-c3ccc(C(=O)N(C(C)C)C(C)C)cc3Cl)cc2)c1=O,PXXDBQBPHFAWQH-UHFFFAOYSA-N
-rxn:4:221980:223166,CC(C)(C)OC(=O)N1CCN(c2cc(=O)n3nc(-c4cncc(-c5ccc(N6CCNCC6)nc5)c4)sc3n2)CC1,PDIZYGMPDQCXGO-UHFFFAOYSA-N
-rxn:4:221980:225880,CC(C)(C)OC(=O)N1CCN(c2cc(=O)n3nc(-c4cncc(-c5cc(C6CCOCC6)ncc5F)c4)sc3n2)CC1,XQLXETKGSUMSGM-UHFFFAOYSA-N
-rxn:4:221980:226844,CC(C)(C)OC(=O)N1CCN(c2cc(=O)n3nc(-c4cncc(-c5ccnc(C(=O)C(F)(F)F)c5)c4)sc3n2)CC1,BLDWRUPLRZQONU-UHFFFAOYSA-N
-rxn:4:221994:225975,Cc1cn2c3c(=O)n(Cc4ccc(-c5ccnc(N6CCOCC6)c5Cl)cc4)c(=O)n(C)c3nc2n1CCN1CCOCC1,BGFYOYHSFFYMJF-UHFFFAOYSA-N
-rxn:4:221995:223179,CONC(=O)c1cc(-c2ccc(Cn3c(=O)c4c(nc5n(CCN6CCOCC6)c(C)c(C)n45)n(C)c3=O)cc2)ccc1F,JXJUGGQJCGIDND-UHFFFAOYSA-N
-rxn:4:222009:225293,CC(C)Oc1cc(-c2cnc(N3CCN(c4cc(C(F)F)nc(C5CC5)n4)CC3)nc2)ccc1C(F)(F)F,QEXYGZHKSYDGDX-UHFFFAOYSA-N
-rxn:4:222054:223279,CN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cnc(C6CCCN6)nc5)o4)CC3)nn2)CC1,KODBBDMHDHXCQJ-UHFFFAOYSA-N
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-rxn:4:222088:224289,CN(C(=O)OC(C)(C)C)c1ccc(-c2cccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)c2)c(F)c1,VNAGOCJSYGQERV-UHFFFAOYSA-N
-rxn:4:222108:222935,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(CNS(=O)(=O)N(C)C)cc6)cc5)no4)C3C2=O)cc1F,PWKVCLJZJVIZCE-UHFFFAOYSA-N
-rxn:4:222125:223640,CCOC12C(=O)c3cc(F)cc(-c4ccc(-c5cc(N6CCCN(C(=O)c7ccc8[nH]cnc8c7)CC6)[nH]n5)cc4)c3C(=O)C1C2(C)C,VWZJZKXSAXHFOF-UHFFFAOYSA-N
-rxn:4:222168:225805,CC(c1ccc(-c2cnc(N3CCN(c4cc(C5CCOCC5)ncn4)CC3)nc2)s1)N1CCOCC1,QKDWITUFGZTALD-UHFFFAOYSA-N
-rxn:4:222307:223593,CCc1nnc2ccc(N3CC4CN(C(=O)c5cncc(-c6ccc(N7CCN(C(=O)OC(C)(C)C)CC7)c(Cl)c6)c5)CC4C3)nn12,CTTBXXQYQABQHT-UHFFFAOYSA-N
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-rxn:4:222389:199480,O=C(CC=NOCc1cnc(Cl)s1)c1ccc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)cc1,CVCWMNONVCJHIN-UHFFFAOYSA-N
-rxn:4:222389:214666,Cc1noc(C2CN(S(=O)(=O)c3ccc(-c4cc(C5CCNCC5)nc(C5CCNCC5)c4)cc3)C2)n1,KISQIJRIHUNLSP-UHFFFAOYSA-N
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-rxn:4:222523:206054,CC(C)(C)NS(=O)(=O)c1ccc(-c2c(C(F)(F)F)n[nH]c2C(C)(C)C)c(C(F)(F)F)c1,UGJSALQLZXYUHN-UHFFFAOYSA-N
-rxn:4:222581:183899,CC(C)NS(=O)(=O)c1ccc(-c2c(Cl)cccc2CN(C(=O)OC(C)(C)C)C(C)C)c2ccccc12,XJAHCQYPSMAXMQ-UHFFFAOYSA-N
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-rxn:4:222723:189928,COc1cc(S(=O)(=O)N2CCCC2)ccc1-c1cccc(NS(=O)(=O)N2CCOCC2)c1,BAGBAWPEOPAVEB-UHFFFAOYSA-N
-rxn:4:222742:214791,Cc1nc(N2CCN(CC3CC3)CC2)ccc1-c1cc(C2CCNCC2)nc(C2CC2)c1,NEPNUBVHLBTGKZ-UHFFFAOYSA-N
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-rxn:4:223070:174518,CC(C)[Si](Oc1ccc(F)c(-c2csc(NC(=O)OC(C)(C)C)c2)c1)(C(C)C)C(C)C,DHHCXTBURAZQPO-UHFFFAOYSA-N
-rxn:4:223071:207854,CCS(=O)(=O)NCc1ccc(-c2ccc3c(c2)CCN3C2CCN(C3CCC3)CC2)cc1,PPIHAACBZRHJKS-UHFFFAOYSA-N
-rxn:4:223071:214852,CCS(=O)(=O)NCc1ccc(-c2cncc(C(=O)N3CCC(N4CCCC4)CC3)c2)cc1,XTOAVPHZHMLUHO-UHFFFAOYSA-N
-rxn:4:223080:178597,CC(C)NS(=O)(=O)c1ccc(-c2ccc(OC(=O)C3OC4OC(C)(C)OC4C4OC(C)(C)OC34)cc2)cc1,WBDDWSOXCLVVAV-UHFFFAOYSA-N
-rxn:4:223080:185411,CC(C)NS(=O)(=O)c1ccc(-c2ccc(C3CCN(C(=O)OC(C)(C)C)C3)c(C3CC3)c2)cc1,NOLAFTPQBHMOGR-UHFFFAOYSA-N
-rxn:4:223102:187633,CC(C)(C)NS(=O)(=O)c1sccc1-c1cccc(C2(C)CN(C(=O)OC(C)(C)C)CCO2)c1,DQXAIOUYEAVAED-UHFFFAOYSA-N
-rxn:4:223580:199795,COC(=O)c1ccc2c(c1)cc(-c1ccc(C(=O)Oc3c(Sc4ccccc4)c(C)nn3C(C)(C)C)cc1)n2C(=O)OC(C)(C)C,NRKAWQHCZOHDIJ-UHFFFAOYSA-N
-rxn:4:223580:204544,COC(=O)c1ccc2c(c1)cc(-c1ccc3c(n1)N(C(=O)OC(C)(C)C)CCO3)n2C(=O)OC(C)(C)C,RLURELDFDCADBV-UHFFFAOYSA-N
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-rxn:4:226844:204719,CCN1C(=O)C(=C2SC(=S)N(Cc3ccco3)C2=O)c2cc(-c3ccnc(C(=O)C(F)(F)F)c3)ccc21,BYFCNZRFGWPJIF-UHFFFAOYSA-N
-rxn:5:177189:223061:223064,CCOC(=O)c1c(-c2cc(C3CCNCC3)ncc2F)ccc(C)c1-c1ccc(C2CCNCC2)nc1F,LQULSLOJCNAMQC-UHFFFAOYSA-N
-rxn:5:177190:223054:225798,CCS(=O)(=O)Cc1ccc(-c2ccc(OC3CCOCC3)nc2)c(-c2ccc(C(C)N3CCC(O)C3)s2)c1,MWZRZOJXMRYQKO-UHFFFAOYSA-N
-rxn:5:177190:226685:223054,CCS(=O)(=O)Cc1ccc(-c2ccc(C(C)N3CCC(O)C3)s2)c(-c2cnc(C3CCOCC3)nc2)c1,OLGNLPFNXULBMQ-UHFFFAOYSA-N
-rxn:5:177191:223000:225603,N#CC1(c2cccc(-c3ccc(CC(=O)C4CC4)c(-c4ccc(C5CCCNC5)c(F)c4)c3)c2F)CCC1,QXHVLWMFAVMIQJ-UHFFFAOYSA-N
-rxn:5:177373:225924:223139,Cc1cc(S(=O)(=O)N(C)C)ccc1-c1cc(-c2ccc(C3CCNCC3)nc2)ccc1OCC1OCCO1,JHDRNVHGGAUOEJ-UHFFFAOYSA-N
-rxn:5:177449:225824:225799,COc1cc(-c2cc(C3CC3)cc(C(F)(F)F)c2)c(-c2cncc(OC3CCOCC3)c2)cc1OC(C)C,KDLQIRDBXYKBJH-UHFFFAOYSA-N
-rxn:5:177732:223139:225438,CC(c1ccc(-c2cc(C(=O)OC(C)(C)C)ccc2-c2ccc(C3CCNCC3)nc2)cc1)N1CCCC1,MPRLQTXNURMFOL-UHFFFAOYSA-N
-rxn:5:177734:223294:225976,Cc1cc(-c2csc(N3CCNCC3)n2)c(-c2ccnc(N3CCOCC3)c2F)cc1C(=O)OC(C)C,IXFWMRLTSXTMKF-UHFFFAOYSA-N
-rxn:5:177734:225976:223294,Cc1cc(-c2ccnc(N3CCOCC3)c2F)c(-c2csc(N3CCNCC3)n2)cc1C(=O)OC(C)C,PFSSSMIGOWELIJ-UHFFFAOYSA-N
-rxn:5:177734:225982:223294,Cc1cc(-c2cnc(N3CCOCC3)cc2F)c(-c2csc(N3CCNCC3)n2)cc1C(=O)OC(C)C,VQJTYVDNXNXLGQ-UHFFFAOYSA-N
-rxn:5:177735:223294:225976,Cc1cc(C(=O)OC(C)C)cc(-c2csc(N3CCNCC3)n2)c1-c1ccnc(N2CCOCC2)c1F,XJSRDXRIGFFXEU-UHFFFAOYSA-N
-rxn:5:177737:225976:225976,CC(C)(C)OC(=O)c1cc(-c2ccnc(N3CCOCC3)c2F)ccc1-c1ccnc(N2CCOCC2)c1F,BYACPFNKPCPLTR-UHFFFAOYSA-N
-rxn:5:177738:222409:225636,COc1cc(-c2ccnc(N3CCC(C)CC3)c2)c(-c2ccc(OC)c(S(N)(=O)=O)c2)cc1OC1CCC1,OWEJYAPSHGLENI-UHFFFAOYSA-N
-rxn:5:177739:225438:223065,CC(c1ccc(-c2cccc(C(=O)OC(C)(C)C)c2-c2ccc(N3CCNCC3)cc2F)cc1)N1CCCC1,RVNVIPDBHPKMSR-UHFFFAOYSA-N
-rxn:5:177739:225655:225816,CC1CCN(c2cncc(-c3cccc(C(=O)OC(C)(C)C)c3-c3cc(C4CC4)ccc3C(F)(F)F)c2)CC1,CSYYOSPZGVGADR-UHFFFAOYSA-N
-rxn:5:177850:223007:223241,CCOc1ccc(-c2cc(F)cc(C3CCNCC3)c2)c(C2OCCO2)c1-c1cncc(C2CCNC2)c1,NCGXLCKWHHJRHB-UHFFFAOYSA-N
-rxn:5:177850:227020:223064,CCOc1ccc(-c2cncc(C#CC3CC3)c2)c(C2OCCO2)c1-c1ccc(C2CCNCC2)nc1F,PTWUHPGBWVTRSY-UHFFFAOYSA-N
-rxn:5:177851:223061:227710,CCOc1c(-c2ccc(OS(C)(=O)=O)cc2)cc(C2OCCO2)cc1-c1cc(C2CCNCC2)ncc1F,ZZCMTQGMQRLKNW-UHFFFAOYSA-N
-rxn:5:177891:223139:227452,O=C(SC1CS(=O)(=O)CC1c1cccc(C2OCCO2)c1)c1ccccc1-c1ccc(C2CCNCC2)nc1,BMUBAZDTKZHNOK-UHFFFAOYSA-N
-rxn:5:177891:226583:226644,O=C(SC1CS(=O)(=O)CC1c1cncc(N2CCOCC2)c1)c1ccccc1-c1ccc(CN2CCOCC2)s1,VNCMMKDVPGBNDP-UHFFFAOYSA-N
-rxn:5:177891:226643:226649,O=C(SC1CS(=O)(=O)CC1c1cccnc1N1CCOCC1)c1ccccc1-c1ccc(N2CCOCC2)nc1,VYZXRKOYZKGZMG-UHFFFAOYSA-N
-rxn:5:177891:226645:226583,O=C(SC1CS(=O)(=O)CC1c1ccc(CN2CCOCC2)s1)c1ccccc1-c1ccnc(N2CCOCC2)c1,NXGLWIBGXFCDHI-UHFFFAOYSA-N
-rxn:5:177891:226661:225831,Cc1cc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2cc(N3CCN(C)CC3)cs2)cnc1N1CCOCC1,RWAOWCLTNPILHP-UHFFFAOYSA-N
-rxn:5:177891:226729:227403,O=C(SC1CS(=O)(=O)CC1c1ccc(N2CCCCC2)s1)c1ccccc1-c1cnc(OC2CCOC2)nc1,XILHSCLLPQMLJR-UHFFFAOYSA-N
-rxn:5:177891:227448:227437,O=C(SC1CS(=O)(=O)CC1c1ccnc(C2CCCO2)c1)c1ccccc1-c1ccc(C2COC2)c(F)c1,IVNIROYSNOGQKF-UHFFFAOYSA-N
-rxn:5:177891:227449:227964,CC1(c2cncc(C3CS(=O)(=O)CC3SC(=O)c3ccccc3-c3ccc(C4CCOCC4)s3)c2)CC1,ZECZLIYUKDRXHU-UHFFFAOYSA-N
-rxn:5:177891:227656:225798,O=C(SC1CS(=O)(=O)CC1c1ccc(OC2CCOCC2)nc1)c1ccccc1-c1cc(N2CCOCC2)cs1,PZWVGXRIBPQQPT-UHFFFAOYSA-N
-rxn:5:177891:227657:228136,O=C(SC1CS(=O)(=O)CC1c1ccc(OC2CC2)nc1)c1ccccc1-c1ccc(N2CCOCC2)s1,SRUUXDUWDADTJE-UHFFFAOYSA-N
-rxn:5:177891:228318:226649,COC(=O)c1ccncc1-c1ccccc1C(=O)SC1CS(=O)(=O)CC1c1cccnc1N1CCOCC1,KNWHUOZWVDRUMU-UHFFFAOYSA-N
-rxn:5:177891:228631:226590,O=C(SC1CS(=O)(=O)CC1c1ccc(OC2CCOC2)nc1)c1ccccc1-c1ccsc1C1CCC1,PMKDPEMRKOLKPL-UHFFFAOYSA-N
-rxn:5:177891:228974:226665,CS(=O)(=O)n1cc(-c2ccccc2C(=O)SC2CS(=O)(=O)CC2c2cnc(C3CCCOC3)nc2)cn1,AUGTYMBREOWFMX-UHFFFAOYSA-N
-rxn:5:178224:225447:227052,CC(C)(C)Sc1ccc(-c2cc(OCC3CCCCC3)cc(-c3ccc(OC4CCCCC4)cc3)c2)cc1,INHJXNJHJMAAOM-UHFFFAOYSA-N
-rxn:5:178225:225407:227562,COc1ccc(F)c(-c2c(OCC3CCCCC3)cccc2-c2ccc(C3CCCCCC3)cc2)c1OC,PRWGXLURFBFUMZ-UHFFFAOYSA-N
-rxn:5:178295:223245:222405,COC(=O)C1(c2cc(-c3cccc(C4NC(=O)NC4=O)c3)ccc2-c2ccc3[nH]ncc3c2OC)CCC(=O)CC1,JWWTTZPTTYAMOO-UHFFFAOYSA-N
-rxn:5:178295:225407:226079,COC(=O)C1(c2cc(-c3cc4cc(C(C)C)ccc4s3)ccc2-c2ccc(C3CCCCCC3)cc2)CCC(=O)CC1,ZQUXADXHUYYPLA-UHFFFAOYSA-N
-rxn:5:178295:225886:227079,COC(=O)C1(c2cc(-c3cc(CC(C)C)ccc3F)ccc2-c2ccc3c(ccn3S(C)(=O)=O)c2)CCC(=O)CC1,GGJUWYWJOSKNFT-UHFFFAOYSA-N
-rxn:5:178295:226067:225886,COC(=O)C1(c2cc(-c3ccc4c(ccn4S(C)(=O)=O)c3)ccc2-c2ccc(C3=CCCCC3)cc2)CCC(=O)CC1,NFBFEIUDGJHTOI-UHFFFAOYSA-N
-rxn:5:178295:226067:228558,CCSc1cccc(-c2ccc(-c3ccc(C4=CCCCC4)cc3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,HVQZOBZQSPSSLR-UHFFFAOYSA-N
-rxn:5:178295:226076:225499,COC(=O)C1(c2cc(-c3ccc(C4CCCCC4)cc3F)ccc2-c2cc(OC)cc3ccccc23)CCC(=O)CC1,QASQIJMRLRPXJC-UHFFFAOYSA-N
-rxn:5:178295:226129:225886,COC(=O)C1(c2cc(-c3ccc4c(ccn4S(C)(=O)=O)c3)ccc2-c2cccc(CN3CCCC3)c2)CCC(=O)CC1,VJGTUBXEQLUZMH-UHFFFAOYSA-N
-rxn:5:178295:226140:225886,COC(=O)C1(c2cc(-c3ccc4c(ccn4S(C)(=O)=O)c3)ccc2-c2cc(C(C)(C)C)ccc2OC)CCC(=O)CC1,YDPCMIDYLCMMPU-UHFFFAOYSA-N
-rxn:5:178295:226151:228562,CCC(C)c1csc(-c2ccc(-c3cc(C)c(C)cc3OC(C)C)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,TWQFHEWHBZIMHO-UHFFFAOYSA-N
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-rxn:5:178295:226191:228515,CCc1cccc(C)c1-c1ccc(-c2cc(C3CCCC3)ccc2F)c(C2(C(=O)OC)CCC(=O)CC2)c1,YODIYJDZKAMYJG-UHFFFAOYSA-N
-rxn:5:178295:226911:228178,CCc1cc(C)cc(CC)c1-c1ccc(-c2cc(COC)ccc2F)cc1C1(C(=O)OC)CCC(=O)CC1,CEGAWYOOURXOCM-UHFFFAOYSA-N
-rxn:5:178295:226924:227933,CCc1ccc(OC)cc1-c1ccc(-c2cc(C)cc(C3CC3)c2C)c(C2(C(=O)OC)CCC(=O)CC2)c1,LTJNPOXIPGPYCK-UHFFFAOYSA-N
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-rxn:5:178295:226974:226974,COC(=O)C1(c2cc(-c3ccc4c(c3)COC4(C)C)ccc2-c2ccc3c(c2)COC3(C)C)CCC(=O)CC1,YOLYNKHZGMHEFF-UHFFFAOYSA-N
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-rxn:5:181625:225832:222958,Cc1ccc(-c2ccc(-c3c(C)nn(C4CCCCO4)c3C)c(C3OCCO3)c2)cc1C1CCNCC1,JBZFBQRXFUEPQQ-UHFFFAOYSA-N
-rxn:5:181626:225832:223002,Cc1nn(C2CCCCO2)c(C)c1-c1cccc(-c2ccc(C3CCNCC3)cc2F)c1C1OCCO1,CFYARXOXQXNXBF-UHFFFAOYSA-N
-rxn:5:181904:225832:226588,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(C2OCCO2)c(C)c1-c1cc(OC2CCC2)ncc1F,PSKRFGIEACHADI-UHFFFAOYSA-N
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-rxn:5:181905:225607:227119,Cc1ccc(-c2cc(C3CCCCC3)cs2)c(C2OCCO2)c1-c1ccc(C(C)N2CCCCC2)s1,DZRZBADOCYWNHO-UHFFFAOYSA-N
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-rxn:5:181906:225407:225472,Cc1ccc(-c2ccc(C3CCCCCC3)cc2)c(C2OCCO2)c1-c1cccc(N2CCCCC2C)c1,ALWHMKBQPCPCNT-UHFFFAOYSA-N
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-rxn:5:181907:223133:225832,Cc1cc(-c2ccccc2N2CCNCC2)c(-c2c(C)nn(C3CCCCO3)c2C)c(C2OCCO2)c1,CCCZSMZAVYWTBE-UHFFFAOYSA-N
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-rxn:5:181908:222956:225439,Cc1ccc(-c2cc(C)c(C3OCCO3)cc2-c2cccc(C(C)N3CCCC3)c2)c(C2CCCNC2)c1,PNEBWXLBDPIQHU-UHFFFAOYSA-N
-rxn:5:181908:222990:226686,Cc1cc(-c2ccc(N3CCC(O)CC3)cc2)c(-c2c(C)cnn2C2CCCCO2)cc1C1OCCO1,UPPOWFCGDTZORY-UHFFFAOYSA-N
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-rxn:5:181908:226652:225462,Cc1cc(-c2cc(C)c(C3OCCO3)cc2-c2cccc(N3CCC(C)CC3)c2)n(C2CCCCO2)n1,CZEDRDXBFINZOA-UHFFFAOYSA-N
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-rxn:5:182010:225832:226685,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2cnc(C3CCOCC3)nc2)ccc1C1CCOCC1,ZXXGUKZXGXFUAI-UHFFFAOYSA-N
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-rxn:5:182012:225832:227449,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2ccc(C3CCOCC3)s2)c(C2CCCOC2)c1,UIIOHDPFSZEVKK-UHFFFAOYSA-N
-rxn:5:182013:222996:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2ccc(F)cc2C2CCCNC2)cc1C1CCOCC1,SJUOHWQRWWAHLI-UHFFFAOYSA-N
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-rxn:5:189676:225813:227659,Cc1c(-c2ccc(CC(=O)N3CCCC3)cc2-c2cc(F)c(OC(C)C)c(F)c2C)cccc1C(F)(F)F,GJYUBTIANOFNOF-UHFFFAOYSA-N
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-rxn:5:190001:227052:226149,COc1ccc(-c2ccc(CC(=O)N3CCCCC3)cc2-c2ccc(SC(C)(C)C)cc2)cc1C(C)(C)C,ASARQSOVIUSRAJ-UHFFFAOYSA-N
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-rxn:5:190128:227935:226069,CCc1cc(-c2ccc(C(=O)N3CCC(OC)CC3)cc2-c2cccc(C3CCCCC3)c2)ccc1OC,BKIWWJYDPJHXHD-UHFFFAOYSA-N
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-rxn:5:190132:227940:226150,CCc1cc(SC)cc(-c2ccc(C(=O)N3CCC(OC)CC3)c(-c3cccc(SC4CCCC4)c3)c2)c1,XISQAUXZQXJRAR-UHFFFAOYSA-N
-rxn:5:190194:225451:227075,COc1cc(-c2c(CN3CCC(OC)CC3)cccc2-c2ccc(SC3CCCCC3)cc2)cc(C(C)C)c1,WVKARQQIGRBMJO-UHFFFAOYSA-N
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-rxn:5:190194:227069:225453,COc1ccc(-c2cccc(CN3CCC(OC)CC3)c2-c2cccc(SC3CCCCC3)c2)c(C(C)C)c1,BKFVMCZNRFGLRS-UHFFFAOYSA-N
-rxn:5:190194:227592:226067,COc1cc(F)cc(-c2cccc(CN3CCC(OC)CC3)c2-c2ccc(C3=CCCCC3)cc2)c1OC,CQLZHHQHZJKTLJ-UHFFFAOYSA-N
-rxn:5:190195:222417:225978,CC(C)c1[nH]c(=O)ncc1-c1ccc(CN(C)C2CCOCC2)cc1-c1ccc(N2CCOCC2)nc1F,BPLOYDULAFEUKJ-UHFFFAOYSA-N
-rxn:5:190195:223113:225784,CN(Cc1ccc(-c2ccc3c(c2)C(C)(C)C(=O)N3)c(-c2ccc(CN3CCOCC3)nc2)c1)C1CCOCC1,BXXMNWIEBQTQAY-UHFFFAOYSA-N
-rxn:5:190195:225980:225655,CC1CCN(c2cncc(-c3cc(CN(C)C4CCOCC4)ccc3-c3cc(N4CCOCC4)ncc3F)c2)CC1,IRQGTDRYAQRAGJ-UHFFFAOYSA-N
-rxn:5:190197:225985:227916,CN(Cc1ccc(-c2ccc(OC3CC3)cc2)cc1-c1cccc(N2CCCS2(=O)=O)c1)C1CCOCC1,OKFHCGITCXTMTF-UHFFFAOYSA-N
-rxn:5:190199:225886:225439,CC(c1cccc(-c2ccc(-c3ccc4c(ccn4S(C)(=O)=O)c3)c(CN(C)C3CCOCC3)c2)c1)N1CCCC1,KNPVDBAQQYEEEH-UHFFFAOYSA-N
-rxn:5:190201:223113:227316,CC(C)Cc1cc(-c2ccc(-c3ccc4c(c3)C(C)(C)C(=O)N4)cc2CCN2CCOC(C)C2)cc(F)n1,AMYUFSSGYMKMPN-UHFFFAOYSA-N
-rxn:5:190231:226887:228755,COc1cncc(-c2cc(C(=O)N3CCOC(C)C3)cc(-c3ccc(F)c(C(F)(F)F)c3F)c2OC)c1C,IUIGBOGWHRALQX-UHFFFAOYSA-N
-rxn:5:190231:227376:227968,COc1c(-c2cncc(N3CCCC3)c2)cc(C(=O)N2CCOC(C)C2)cc1-c1cnccc1C1CCC1,LYHDVQYRUBKAFL-UHFFFAOYSA-N
-rxn:5:190265:223286:227076,CCC(C)c1ccc(F)c(-c2ccc(CC(=O)N3CCCC(C)C3)cc2-c2cccc(NS(C)(=O)=O)c2)c1,BDOWEKKYTUWZHT-UHFFFAOYSA-N
-rxn:5:190265:226159:225886,CC1CCCN(C(=O)Cc2ccc(-c3ccc4c(ccn4S(C)(=O)=O)c3)c(-c3cccc(N4CCCCC4)c3)c2)C1,WUUHXSUFBTYWCI-UHFFFAOYSA-N
-rxn:5:190265:226856:227363,COc1cnc(C(F)(F)F)cc1-c1cc(CC(=O)N2CCCC(C)C2)ccc1-c1cccc(F)c1OC(C)C,YXVDRCZNBBBKBZ-UHFFFAOYSA-N
-rxn:5:190265:228005:226069,CSc1cc(C)c(-c2cc(CC(=O)N3CCCC(C)C3)ccc2-c2cccc(C3CCCCC3)c2)cc1C,VIABKOLLQCQQQP-UHFFFAOYSA-N
-rxn:5:190307:223294:227702,COC(=O)c1cnc(F)c(-c2ccc(-c3csc(N4CCNCC4)n3)cc2CCN2CCC(C)CC2)c1,IWZKLWIZNOCUPU-UHFFFAOYSA-N
-rxn:5:190308:223294:227702,COC(=O)c1cnc(F)c(-c2ccc(-c3csc(N4CCNCC4)n3)cc2CCN2CCCC(C)C2)c1,ZKFHFRBNXFJJCV-UHFFFAOYSA-N
-rxn:5:190335:225450:225886,COc1c(-c2ccc(C(=O)C3CCCC3)cc2)cc(C(=O)N2CCCCC2C)cc1-c1ccc2c(ccn2S(C)(=O)=O)c1,IJHKQSMBNMSTEJ-UHFFFAOYSA-N
-rxn:5:190336:225705:226325,COc1cnc2c(-c3cc(C(=O)N4CCCC(C)C4)cc(-c4ccc(C(C)(C)C#N)cc4F)c3OC)cc(C)cc2n1,ADWBAQUDOCAEKX-UHFFFAOYSA-N
-rxn:5:190336:227579:227548,CCOc1ccc(F)c(F)c1-c1cc(C(=O)N2CCCC(C)C2)cc(-c2cc(F)c(OCC)c(F)c2)c1OC,DDHRUZXOEJMBBX-UHFFFAOYSA-N
-rxn:5:190337:223002:228704,CCn1nc(C)c(-c2cc(C(=O)N3CCC(C)CC3)cc(-c3ccc(C4CCNCC4)cc3F)c2OC)c1C,COTVRDMXZVWCQE-UHFFFAOYSA-N
-rxn:5:190404:226135:227288,Cc1cc(C#N)c(C2CC2)cc1-c1ccc(C(=O)N2CCSC(c3ccccc3-c3ccccc3C(=O)N(C)C)CC2)o1,MDUNEDKRDOLJNW-UHFFFAOYSA-N
-rxn:5:190459:226062:223286,CC(C)c1cc(-c2ccccc2C(=O)N2CCSC(c3ccccc3-c3cccc(NS(C)(=O)=O)c3)CC2)cc(C(C)C)c1,YYZUQZABNVQGMQ-UHFFFAOYSA-N
-rxn:5:190484:223242:227501,O=C(c1cccc(-c2ccnc(C3CCNC3)c2)c1)N1CCC(c2ccccc2-c2ccc(C=C[N+](=O)[O-])cc2)S(=O)(=O)CC1,HNNWWFPRNITAHX-UHFFFAOYSA-N
-rxn:5:190484:226151:227808,Cc1cc(OC(C)C)c(-c2cccc(C(=O)N3CCC(c4ccccc4-c4ccc5c(c4)CCCC5)S(=O)(=O)CC3)c2)cc1C,QPLBDUZVTNJNFK-UHFFFAOYSA-N
-rxn:5:190484:226179:228620,CSc1ccc(-c2ccccc2C2CCN(C(=O)c3cccc(-c4cncc(C5CCCCC5)c4)c3)CCS2(=O)=O)cc1C,KPEBYYFKEMYENE-UHFFFAOYSA-N
-rxn:5:190484:226912:227970,Cc1cc(CC(C)C)cc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4ccncc4C(C)(C)C)S(=O)(=O)CC3)c2)c1,ZDAIBMDTJCXVLK-UHFFFAOYSA-N
-rxn:5:190484:227069:226183,COc1ccc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4cnccc4C4CCCCC4)S(=O)(=O)CC3)c2)c(C(C)C)c1,YSIMHQXCOLHKRM-UHFFFAOYSA-N
-rxn:5:190484:227119:228928,O=C(c1cccc(-c2cc(C3CCCCC3)cs2)c1)N1CCC(c2ccccc2-c2cccnc2C(F)F)S(=O)(=O)CC1,WLUIVKAJFORRNU-UHFFFAOYSA-N
-rxn:5:190484:227830:226182,CC1(c2ccc(-c3cccc(C(=O)N4CCC(c5ccccc5-c5cccnc5C5CCCCC5)S(=O)(=O)CC4)c3)cc2)CC1,UIPAFDROPWELSB-UHFFFAOYSA-N
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-rxn:5:190484:228750:226176,CC(=O)c1cncc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4ccncc4C4CCCCC4)S(=O)(=O)CC3)c2)c1,YZVSWNYIFKEJFS-UHFFFAOYSA-N
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-rxn:5:190740:225849:225976,CCOC(=O)c1cnc2c(C)cc(-c3cnc(N4CCCCC4)cc3F)cc2c1-c1ccnc(N2CCOCC2)c1F,TXCJRXVJSQWSGV-UHFFFAOYSA-N
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-rxn:5:190740:226583:225982,CCOC(=O)c1cnc2c(C)cc(-c3ccc(CN4CCOCC4)s3)cc2c1-c1cnc(N2CCOCC2)cc1F,QVLXLUZUGDPYHZ-UHFFFAOYSA-N
-rxn:5:190741:225633:225849,CCOC(=O)c1cnc2c(-c3ccc(N4CCCCCC4)nc3)cc(C)cc2c1-c1cnc(N2CCCCC2)cc1F,ONLNCODKLUDGKQ-UHFFFAOYSA-N
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-rxn:5:190742:223064:225834,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(C4CCNCC4)nc3F)c2c1-c1cc(N2CCCCC2)ncc1F,AMEXTUPYCCQGRT-UHFFFAOYSA-N
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-rxn:5:190742:225849:225784,CCOC(=O)c1cnc2c(C)ccc(-c3cnc(N4CCCCC4)cc3F)c2c1-c1ccc(CN2CCOCC2)nc1,OXGUDZSSQKRQSZ-UHFFFAOYSA-N
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-rxn:5:190742:225976:226661,CCOC(=O)c1cnc2c(C)ccc(-c3ccnc(N4CCOCC4)c3F)c2c1-c1cc(N2CCN(C)CC2)cs1,OVRDYZOLZRTXFU-UHFFFAOYSA-N
-rxn:5:190742:226571:225881,CCOC(=O)c1cnc2c(C)ccc(-c3cnn(CC4CCOCC4)c3)c2c1-c1ccc(C2CCOCC2)nc1F,OEELQQCLGMBABG-UHFFFAOYSA-N
-rxn:5:190742:226654:223000,CCOC(=O)c1cnc2c(C)ccc(-c3csc(N4CCC(C)CC4)n3)c2c1-c1ccc(C2CCCNC2)c(F)c1,LDSYMCIIJWIXGU-UHFFFAOYSA-N
-rxn:5:190743:223000:223058,CCOC(=O)c1cnc2c(C)c(-c3ccc(C4CCCNC4)c(F)c3)ccc2c1-c1cc(F)nc(C2CCCNC2)c1,WKPDZEKNUNAUKP-UHFFFAOYSA-N
-rxn:5:190743:223062:223056,CCOC(=O)c1cnc2c(C)c(-c3cnc(C4CCNCC4)cc3F)ccc2c1-c1ccc(N2CCC(O)CC2)nc1,KAWZYLYTTJJLKK-UHFFFAOYSA-N
-rxn:5:190743:225834:225655,CCOC(=O)c1cnc2c(C)c(-c3cc(N4CCCCC4)ncc3F)ccc2c1-c1cncc(N2CCC(C)CC2)c1,ZOYKOEGKGXJCKP-UHFFFAOYSA-N
-rxn:5:190744:222959:222957,CCOC(=O)c1cnc2c(-c3ccc(C4CCNCC4)c(C)c3)c(C)ccc2c1-c1cc(C)cc(C2CCCNC2)c1,MNVIQRUEHWEGTQ-UHFFFAOYSA-N
-rxn:5:190744:223010:222956,CCOC(=O)c1cnc2c(-c3ccc(C4(O)CCOCC4)cc3)c(C)ccc2c1-c1ccc(C)cc1C1CCCNC1,YMIODLJHGLELNC-UHFFFAOYSA-N
-rxn:5:190744:225633:225849,CCOC(=O)c1cnc2c(-c3ccc(N4CCCCCC4)nc3)c(C)ccc2c1-c1cnc(N2CCCCC2)cc1F,ZXQWOBKLTHDWMK-UHFFFAOYSA-N
-rxn:5:190744:225684:223058,CCOC(=O)c1cnc2c(-c3ccc(C4CCOCC4)nc3C)c(C)ccc2c1-c1cc(F)nc(C2CCCNC2)c1,SJCCWHWVOUFLSB-UHFFFAOYSA-N
-rxn:5:190794:223006:222956,CC(=O)CCc1c(C)nc2ccc(-c3ccc(F)c(C4CCNCC4)c3)cc2c1-c1ccc(C)cc1C1CCCNC1,GZMUCHLIQZVBQH-UHFFFAOYSA-N
-rxn:5:190796:225607:223058,CC(c1ccc(-c2cn(C(=O)OC(C)(C)C)c3cccc(-c4cc(F)nc(C5CCCNC5)c4)c23)s1)N1CCCCC1,LNKSPYHLUDLDPC-UHFFFAOYSA-N
-rxn:5:190832:222981:222956,CCOC(=O)c1cnc2cc(C)c(-c3ccnc(NC4CCCCC4)c3)c(C)c2c1-c1ccc(C)cc1C1CCCNC1,MTTMQNOIFBKKKV-UHFFFAOYSA-N
-rxn:5:190832:222985:222956,CCOC(=O)c1cnc2cc(C)c(-c3ccc(C4CCCNC4)nc3C)c(C)c2c1-c1ccc(C)cc1C1CCCNC1,SUIDCWNMUPSCCL-UHFFFAOYSA-N
-rxn:5:190832:223000:223058,CCOC(=O)c1cnc2cc(C)c(-c3ccc(C4CCCNC4)c(F)c3)c(C)c2c1-c1cc(F)nc(C2CCCNC2)c1,BYHXUUHHOMSERC-UHFFFAOYSA-N
-rxn:5:190832:223004:222956,CCOC(=O)c1cnc2cc(C)c(-c3ccc(C4CCNCC4)c(F)c3)c(C)c2c1-c1ccc(C)cc1C1CCCNC1,UISVAORKUKYEBH-UHFFFAOYSA-N
-rxn:5:190832:223294:225804,CCOC(=O)c1cnc2cc(C)c(-c3csc(N4CCNCC4)n3)c(C)c2c1-c1ccc(C(=O)N2CCC2)c(F)c1,NCBSWZTUZUJZSI-UHFFFAOYSA-N
-rxn:5:190832:225872:223135,CCOC(=O)c1cnc2cc(C)c(-c3cc(F)c(F)c(N4CCCC4)c3)c(C)c2c1-c1cccnc1C1CCCNC1,DHNSWPKFQOOHME-UHFFFAOYSA-N
-rxn:5:190832:225872:223136,CCOC(=O)c1cnc2cc(C)c(-c3cc(F)c(F)c(N4CCCC4)c3)c(C)c2c1-c1ccncc1C1CCCNC1,HAVLGLGGLPTZBW-UHFFFAOYSA-N
-rxn:5:190832:225879:223136,CCOC(=O)c1cnc2cc(C)c(-c3ccc(N4CCOCC4)cc3F)c(C)c2c1-c1ccncc1C1CCCNC1,ZFSWDNAONKKRLL-UHFFFAOYSA-N
-rxn:5:190832:225881:223137,CCOC(=O)c1cnc2cc(C)c(-c3ccc(C4CCOCC4)nc3F)c(C)c2c1-c1cncc(C2CCCNC2)c1,MWPVVWHXLKARPQ-UHFFFAOYSA-N
-rxn:5:190832:226415:223058,CCOC(=O)c1cnc2cc(C)c(-c3ccccc3N3CCOCC3)c(C)c2c1-c1cc(F)nc(C2CCCNC2)c1,NBDDNANROKWIIL-UHFFFAOYSA-N
-rxn:5:190832:226447:225833,CCOC(=O)c1cnc2cc(C)c(-c3ccnc(C4CCOCC4)c3)c(C)c2c1-c1ccnc(N2CCCCC2)c1F,HXLBMKXIXVGHIN-UHFFFAOYSA-N
-rxn:5:190832:226572:225833,CCOC(=O)c1cnc2cc(C)c(-c3cnc(OC4CCCC4)nc3)c(C)c2c1-c1ccnc(N2CCCCC2)c1F,PJTIGLLAQQJHHJ-UHFFFAOYSA-N
-rxn:5:190859:223007:227377,CC(C)(C)OC(=O)N1CCc2c1ccc(-c1cc(F)cc(C3CCNCC3)c1)c2-c1cncnc1C1CCCC1,XUJZLXBFAGIBLE-UHFFFAOYSA-N
-rxn:5:190859:223131:227377,CC(C)(C)OC(=O)N1CCc2c1ccc(-c1ccc(N3CCNCC3)cc1)c2-c1cncnc1C1CCCC1,HOBLGXVMYZVXFP-UHFFFAOYSA-N
-rxn:5:190859:223294:225884,CC(C)(C)OC(=O)N1CCc2c1ccc(-c1csc(N3CCNCC3)n1)c2-c1ccc(C2COCCO2)c(F)c1,NIXWFNVFMSLGOU-UHFFFAOYSA-N
-rxn:5:190859:225683:228893,Cc1nc(C2CCCOC2)ccc1-c1ccc2c(c1-c1cccc([N+](=O)[O-])c1)CCN2C(=O)OC(C)(C)C,LALVBYWALPMHOB-UHFFFAOYSA-N
-rxn:5:190859:226150:226150,CC(C)(C)OC(=O)N1CCc2c1ccc(-c1cccc(SC3CCCC3)c1)c2-c1cccc(SC2CCCC2)c1,COJBNUXBYHHUOU-UHFFFAOYSA-N
-rxn:5:190859:226920:227045,Cc1ccc(C(C)(C)C)cc1-c1ccc2c(c1-c1cccc(SC(C)(C)C)c1)CCN2C(=O)OC(C)(C)C,KASGOTWAUVVLEU-UHFFFAOYSA-N
-rxn:5:190859:227045:227052,CC(C)(C)OC(=O)N1CCc2c1ccc(-c1cccc(SC(C)(C)C)c1)c2-c1ccc(SC(C)(C)C)cc1,SRGMCQOGQYJUTG-UHFFFAOYSA-N
-rxn:5:190998:225834:226395,COC(=O)c1cc(-c2cncc(N3CCCCC3)c2)ccc1N1Cc2cc(-c3cc(N4CCCCC4)ncc3F)ccc2OCC1=O,JOPMVJRDKOIQPD-UHFFFAOYSA-N
-rxn:5:191026:227076:227103,CCC(C)c1ccc(F)c(-c2ccc3c(c2)N(c2ccc(C)c(-c4sccc4C4CCCCC4)c2)C=C(C(=O)OC)S3(=O)=O)c1,GMCSNXBSCMZRPY-UHFFFAOYSA-N
-rxn:5:191026:227076:227808,CCC(C)c1ccc(F)c(-c2ccc3c(c2)N(c2ccc(C)c(-c4ccc5c(c4)CCCC5)c2)C=C(C(=O)OC)S3(=O)=O)c1,MGWLMGZWVBWHRS-UHFFFAOYSA-N
-rxn:5:191026:227989:227052,CC#Cc1ccc(F)c(-c2ccc3c(c2)N(c2ccc(C)c(-c4ccc(SC(C)(C)C)cc4)c2)C=C(C(=O)OC)S3(=O)=O)c1,FNTUOYLCDSCVLI-UHFFFAOYSA-N
-rxn:5:191049:227942:226067,CCc1ccc(-c2ccc3c(c2)CN(c2cc(OC)c(-c4ccc(C5=CCCCC5)cc4)cc2OC)C(=O)CO3)c(OC)c1,AXXDKDXOUXROCP-UHFFFAOYSA-N
-rxn:5:192571:225976:226686,Cc1cnn(C2CCCCO2)c1-c1c(C(=O)N2CCC2)cccc1-c1ccnc(N2CCOCC2)c1F,GZMJNWRMKSCYDP-UHFFFAOYSA-N
-rxn:5:193046:225871:225595,CC(C)(C)c1cc(-c2cccc(N3C(=O)C=CC3=O)c2)c(-c2ccc(F)c(CN3CCCC3)c2)c([N+](=O)[O-])c1,NFFQVWBAZYFMEO-UHFFFAOYSA-N
-rxn:5:193052:223132:225654,CC1CCCN(c2ccc(-c3cc(-c4cccc(N5CCNCC5)c4)ccc3C(=O)N3CCCC3)cn2)C1,YQKRLOOLMUEJRI-UHFFFAOYSA-N
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-rxn:5:193228:225453:227561,COc1cc(F)c(-c2cc(C(=O)N3CCSCC3)cc(-c3cccc(SC4CCCCC4)c3)c2)cc1OC,MRFHYLILZSLQLL-UHFFFAOYSA-N
-rxn:5:193230:223061:223006,O=C(c1ccc(-c2cc(C3CCNCC3)ncc2F)cc1-c1ccc(F)c(C2CCNCC2)c1)N1CCOCC1,CTCNGTSZTAIZNC-UHFFFAOYSA-N
-rxn:5:193332:226179:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(CN2CCOCC2)c(-c2cncc(C3CCCCC3)c2)c1,BBWFTAPSQJFCFQ-UHFFFAOYSA-N
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-rxn:5:193968:227906:223105,CCC(C)c1ncccc1-c1ccc(-c2cc(S(=O)(=O)NC)c(C)cc2F)c(CN2CCC3(CC2)OCCO3)c1,DPPMZPGCLBMTCL-UHFFFAOYSA-N
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-rxn:5:194767:225976:222417,CC(C)c1[nH]c(=O)ncc1-c1ccc(-c2ccnc(N3CCOCC3)c2F)cc1C(=O)N1CCCC2(C1)OC(=O)c1ccccc12,DOOBMMNDHJGVEY-UHFFFAOYSA-N
-rxn:5:194767:226794:223378,O=C1OC2(CCCN(C(=O)c3cc(-c4cnc(N5CCSCC5)nc4)ccc3-c3cnc4c(c3)NCCO4)C2)c2ccccc21,XDYSZIWDZOAKEC-UHFFFAOYSA-N
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-rxn:5:194792:227685:228944,N#Cc1ccc(-c2ccc(C3OC4(C(=O)c5ccccc5C4=O)C4C(=O)N(c5ccc(-c6cc(F)cc(F)c6F)cc5)C(=O)C34)cc2)cc1[N+](=O)[O-],FUGJPYJFGNWEPC-UHFFFAOYSA-N
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-rxn:5:196794:225982:223294,O=C1COCCN1c1cc(-c2cnc(N3CCOCC3)cc2F)ccc1-c1csc(N2CCNCC2)n1,CLBPPBVBYQBOOL-UHFFFAOYSA-N
-rxn:5:196858:222958:225655,Cc1ccc(-c2cnc(C3CCOCC3)cc2-c2cncc(N3CCC(C)CC3)c2)cc1C1CCNCC1,YVGHTGRBCCJYCK-UHFFFAOYSA-N
-rxn:5:196859:222998:223064,Fc1cc(-c2c(C3CCOCC3)ccnc2-c2ccc(C3CCNCC3)nc2F)cc(C2CCCNC2)c1,FGDQSTZILCXAAU-UHFFFAOYSA-N
-rxn:5:196870:223148:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2ccccc2C2CNCCO2)cc(N2CCOCC2)c1,AMGBQQDHMFAJQW-UHFFFAOYSA-N
-rxn:5:196871:223134:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2cnccc2C2CCCNC2)c(N2CCOCC2)c1,OYJHLFGNKFQERL-UHFFFAOYSA-N
-rxn:5:196969:226185:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(C2CCCCC2)ncc1-c1ccc(C2CCOCC2)cc1,CLGMERPQOVBUFE-UHFFFAOYSA-N
-rxn:5:196970:225832:225592,Cc1nn(C2CCCCO2)c(C)c1-c1c(C2CCCCC2)ccnc1-c1cc(F)ccc1CN1CCCC1,QRGYGZPYWAOOII-UHFFFAOYSA-N
-rxn:5:196970:226686:222989,Cc1cc(N2CCNCC2)ccc1-c1nccc(C2CCCCC2)c1-c1c(C)cnn1C1CCCCO1,MAZINAIPAYEARH-UHFFFAOYSA-N
-rxn:5:196971:225439:222989,Cc1cc(N2CCNCC2)ccc1-c1cc(-c2cccc(C(C)N3CCCC3)c2)ncc1C1CCCCC1,XEDDJXKWJSKGHW-UHFFFAOYSA-N
-rxn:5:196971:226686:225884,Cc1cnn(C2CCCCO2)c1-c1cc(-c2ccc(C3COCCO3)c(F)c2)c(C2CCCCC2)cn1,PPIYLCYSAAEOCN-UHFFFAOYSA-N
-rxn:5:197876:223263:223202,CNC(=O)c1ccc(F)c(-c2cc3c(cc2-c2ccc(C4(O)CCC4)cc2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,WFKKRZOKQOUNKM-UHFFFAOYSA-N
-rxn:5:197876:223358:226146,CC(=O)Nc1ccc(-c2cc3c(cc2-c2ccc(SC4CCCC4)cc2)C(=O)N(C(C)(C)C)S3(=O)=O)cc1,JFYOXPLAXFCFJL-UHFFFAOYSA-N
-rxn:5:197876:226067:226589,CC(C)c1cnc(C(F)F)cc1-c1cc2c(cc1-c1ccc(C3=CCCCC3)cc1)S(=O)(=O)N(C(C)(C)C)C2=O,DYCOQEUZHFFQRM-UHFFFAOYSA-N
-rxn:5:197876:226589:227452,CC(C)c1cnc(C(F)F)cc1-c1cc2c(cc1-c1cccc(C3OCCO3)c1)C(=O)N(C(C)(C)C)S2(=O)=O,RSIWGGJSKCKHMB-UHFFFAOYSA-N
-rxn:5:197876:226761:228562,CCC(C)c1csc(-c2cc3c(cc2-c2ccc(SC)cc2C(F)(F)F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,VPMHKNIBMJMBTA-UHFFFAOYSA-N
-rxn:5:197876:226914:227076,CCC(C)c1ccc(F)c(-c2cc3c(cc2-c2ccc(CC(C)C)cc2C)S(=O)(=O)N(C(C)(C)C)C3=O)c1,FQHPGLCTMCRBAQ-UHFFFAOYSA-N
-rxn:5:197876:227079:226159,CC(C)Cc1ccc(F)c(-c2cc3c(cc2-c2cccc(N4CCCCC4)c2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,NMWPTJYBJCUXQC-UHFFFAOYSA-N
-rxn:5:197876:227108:227048,CC(C)C(=O)c1ccc(-c2cc3c(cc2-c2cc(C4CCC4)ccc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1,RAKKVSPKIFGNAO-UHFFFAOYSA-N
-rxn:5:197876:227677:227437,Cc1ccc(C(F)(F)F)c(-c2cc3c(cc2-c2ccnc(C4CCCO4)c2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,UTAPCXXDTGROHL-UHFFFAOYSA-N
-rxn:5:197876:227937:226061,CC(C)Sc1cccc(-c2cc3c(cc2-c2cc(C(C)C)cc(C4CC4)c2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,IMRRSDHILQYPEA-UHFFFAOYSA-N
-rxn:5:197876:227970:226150,CC(C)(C)c1cnccc1-c1cc2c(cc1-c1cccc(SC3CCCC3)c1)C(=O)N(C(C)(C)C)S2(=O)=O,DRNMHLWTOMYTMA-UHFFFAOYSA-N
-rxn:5:197876:227996:226183,CC(=O)c1ccc(-c2cc3c(cc2-c2cnccc2C2CCCCC2)C(=O)N(C(C)(C)C)S3(=O)=O)c(C)c1,SBWLCNHIRGNABK-UHFFFAOYSA-N
-rxn:5:197876:229012:225407,CC(C)c1ccsc1-c1cc2c(cc1-c1ccc(C3CCCCCC3)cc1)C(=O)N(C(C)(C)C)S2(=O)=O,GIJOTPNUEPVGEH-UHFFFAOYSA-N
-rxn:5:197876:229169:225451,CC(C)(C)N1C(=O)c2cc(-c3ccc(SC4CCCCC4)cc3)c(-c3cscc3C(F)F)cc2S1(=O)=O,VQFJEKRHVMIANP-UHFFFAOYSA-N
-rxn:5:227926:178295:226968,COC(=O)C1(c2cc(-c3ccc4c(c3)OC(C)(C)C4)ccc2-c2ccc(SC(C)C)cc2)CCC(=O)CC1,LIAIRCXXYITWNJ-UHFFFAOYSA-N
-rxn:5:227933:178295:227670,CCc1ccc(OC)cc1-c1ccc(-c2cc(F)cc(C(C)(F)F)c2)cc1C1(C(=O)OC)CCC(=O)CC1,NXUHARNRBDWOHS-UHFFFAOYSA-N
-rxn:5:227935:178295:226915,CCc1cc(-c2ccc(-c3ccc(C4CCCC4)cc3)cc2C2(C(=O)OC)CCC(=O)CC2)ccc1OC,FDFBZEKOZPZFCU-UHFFFAOYSA-N
-rxn:5:227941:178295:227108,COCc1cc(C)cc(-c2ccc(-c3cc(C4CCC4)ccc3F)cc2C2(C(=O)OC)CCC(=O)CC2)c1,NACFSKNCBNWHSI-UHFFFAOYSA-N
-rxn:5:227999:178295:223289,CNS(=O)(=O)c1ccccc1-c1ccc(-c2ccc(C(C)C)cc2F)c(C2(C(=O)OC)CCC(=O)CC2)c1,KRZXJJDHFROUDD-UHFFFAOYSA-N
-rxn:4:173280:226844,O=C(c1cc(-c2ccc(OCC(F)(F)C(F)(F)F)cc2OC(F)(F)F)ccn1)C(F)(F)F,ASRYEOYVSHVEEV-UHFFFAOYSA-N
-rxn:4:173308:223787,COC(=O)c1ccc(-c2ccc(OCCCN3CCN(C)CC3)c(F)c2)c(OCCC(F)(F)F)c1,BOMJFSHHNHSVGV-UHFFFAOYSA-N
-rxn:4:173422:222602,CC(C)COc1ccc(-c2cc(CC(C)C)sc2S(=O)(=O)NC(C)(C)C)cc1OCC(F)(F)F,NVCASKMREMAULZ-UHFFFAOYSA-N
-rxn:4:173422:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1ccc(OCC(C)C)c(OCC(F)(F)F)c1,MOVRVWAYBQIWEH-UHFFFAOYSA-N
-rxn:4:173502:223179,CONC(=O)c1cc(-c2cc(C(=O)OC)cc(OS(=O)(=O)C(F)(F)F)c2[Si](C)(C)C)ccc1F,ABHAVTIOQYXAME-UHFFFAOYSA-N
-rxn:4:173502:226844,COC(=O)c1cc(OS(=O)(=O)C(F)(F)F)c([Si](C)(C)C)c(-c2ccnc(C(=O)C(F)(F)F)c2)c1,RWYRZNQREMVHCY-UHFFFAOYSA-N
-rxn:4:173503:226844,COC(=O)c1cc(-c2ccnc(C(=O)C(F)(F)F)c2)c(OS(=O)(=O)C(F)(F)F)c([Si](C)(C)C)c1,IDARQGRSWJJLSI-UHFFFAOYSA-N
-rxn:4:173531:222913,CC(C)COc1cc(C(=O)OC(C)(C)C)cc(-c2ccc(CNS(=O)(=O)C3CC3)cc2)c1,AHOBIESMFGDPLX-UHFFFAOYSA-N
-rxn:4:173531:224420,Cc1cc2c(cc1-c1cc(OCC(C)C)cc(C(=O)OC(C)(C)C)c1)C(C)(C)CCC2(C)C,NBPSBSYDTLHLFI-UHFFFAOYSA-N
-rxn:4:173553:223179,CONC(=O)c1cc(-c2cc(C(=O)OC(C)(C)C)cc(C(=O)OC(C)(C)C)c2)ccc1F,DIRGWGDCJRAQNQ-UHFFFAOYSA-N
-rxn:4:173574:223179,CONC(=O)c1cc(-c2cccc(C(=O)CCCCC3OCC(C)(C)CO3)c2)ccc1F,UQMUHKHOIRRQMO-UHFFFAOYSA-N
-rxn:4:173574:226509,CC(C)COc1ccc(-c2cccc(C(=O)CCCCC3OCC(C)(C)CO3)c2)c(F)n1,DNCMRTSXSAVASA-UHFFFAOYSA-N
-rxn:4:173574:226844,CC1(C)COC(CCCCC(=O)c2cccc(-c3ccnc(C(=O)C(F)(F)F)c3)c2)OC1,HKROQZVXXGNIDU-UHFFFAOYSA-N
-rxn:4:173575:223179,CONC(=O)c1cc(-c2ccc(C(=O)CCCCC3OCC(C)(C)CO3)cc2)ccc1F,ZAJKMDRBDTVUAS-UHFFFAOYSA-N
-rxn:4:173585:224649,O=C(COC(=O)c1ccccc1-c1cc(F)ccc1OCC1CCCCO1)c1ccc(C2CCCCC2)cc1,WPHGFEBJNKNCPR-UHFFFAOYSA-N
-rxn:4:173593:225044,CC(C)(C)c1cc(C(=O)OCc2ccc(-c3cc([Si](C)(C)C)cc([Si](C)(C)C)c3)cc2)cc(C(C)(C)C)c1,DRDUJOFIXLXFFT-UHFFFAOYSA-N
-rxn:4:173612:224821,CCOC(=O)COc1ccc2c(c1)OC(=Cc1cccc(-c3ccc(F)c(S(=O)(=O)N4CCCC4)c3)c1)C2=O,WXSKDAFXGNSSFH-UHFFFAOYSA-N
-rxn:4:173673:226844,COC(=O)C(C)Oc1ccc2c(c1)OC(=Cc1cc(-c3ccnc(C(=O)C(F)(F)F)c3)ccc1OC)C2=O,AQQGKWQCKNHXPY-UHFFFAOYSA-N
-rxn:4:173675:223182,CCNS(=O)(=O)c1ccc(-c2cc3oc(C)c(C(=O)OC(C)C)c3cc2OC(=O)C(C)(C)C)cc1,TVTLOQLIXJBJQK-UHFFFAOYSA-N
-rxn:4:173684:223179,CONC(=O)c1cc(-c2ccc(C=C3Oc4cc(OCC(=O)OC(C)(C)C)ccc4C3=O)cc2)ccc1F,NGGRMASEOSHZSN-UHFFFAOYSA-N
-rxn:4:173688:223179,CONC(=O)c1cc(-c2ccccc2C=C2Oc3cc(OCC(=O)OC(C)(C)C)ccc3C2=O)ccc1F,DEMHMVCVKCXRGY-UHFFFAOYSA-N
-rxn:4:173704:224846,CCC1CCC(c2ccc(-c3ccc(O[Si](C(C)C)(C(C)C)C(C)C)c4c(OC)cccc34)cc2)CC1,UOZOBVJFRBIOGV-UHFFFAOYSA-N
-rxn:4:173706:223900,CCCC(=O)c1cc2c(cc(-c3ccc(CCO[Si](C)(C)C(C)(C)C)c(F)c3)c3oc(C)c(C(=O)OCC)c32)oc1=O,GPNPSRQIWRLMIG-UHFFFAOYSA-N
-rxn:4:173712:225324,CC(C)CCn1cc(-c2ccc(OCC(F)(F)F)c(OC(F)(F)F)c2)c(C(F)(F)F)n1,CVIKVUSPFNPYQF-UHFFFAOYSA-N
-rxn:4:173723:224352,O=C(COS(=O)(=O)C(F)(F)F)c1ccc(-c2ccc(C3CCCOC3)c(C(F)(F)F)c2)cc1,FSHGJCVVSUJMPV-UHFFFAOYSA-N
-rxn:4:173723:224645,COc1cc(C(=O)N2CCCC2)ccc1-c1ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc1,VWJHIJVWMOIIHE-UHFFFAOYSA-N
-rxn:4:173723:224711,CCCCOc1ccc(C(F)(F)F)cc1-c1ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc1,JTWKORJEUKIVDC-UHFFFAOYSA-N
-rxn:4:173723:224807,CC(C)Oc1cc(C(F)(F)F)cc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)c1F,HMYHOJHEDUSXEA-UHFFFAOYSA-N
-rxn:4:173800:223992,Cc1ccc(-c2cccc(OCC(F)(F)C(F)(F)C(F)(F)F)c2)cc1S(=O)(=O)N1CCN(C)CC1,IVSYTCHQDHYFCM-UHFFFAOYSA-N
-rxn:4:173805:222540,O=C(NCCN1CCCCC1)c1cccc(-c2cc(OCC(F)(F)C(F)(F)F)ccc2C(F)(F)F)c1,DMZQOTBOUJPQRE-UHFFFAOYSA-N
-rxn:4:173806:223179,CONC(=O)c1cc(-c2cc(OC(C(F)(F)F)C(F)(F)F)ccc2C(F)(F)F)ccc1F,ONFRDRYSRPAOMG-UHFFFAOYSA-N
-rxn:4:173808:223179,CONC(=O)c1cc(-c2cccc(C(F)(F)F)c2OC(C(F)(F)F)C(F)(F)F)ccc1F,KEUQEFLIAROZFF-UHFFFAOYSA-N
-rxn:4:173809:223179,CONC(=O)c1cc(-c2cc(C(F)(F)F)ccc2OC(C(F)(F)F)C(F)(F)F)ccc1F,PHOHQKUNZJDLRV-UHFFFAOYSA-N
-rxn:4:173935:222800,CCOC(=O)C(F)(F)c1ccc(-c2cc(C)c(S(=O)(=O)NC(C)C)c(C)c2)cc1C(F)(F)F,SZAKQZDNALFNON-UHFFFAOYSA-N
-rxn:4:174033:223499,COCCCOc1cc(C)ccc1-c1ccc(Cl)c(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1,XATLQYUMNOKANG-UHFFFAOYSA-N
-rxn:4:174071:224322,CC(C)COc1ccc(-c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)cc1OC(F)(F)F,OXQUCSMCXOTMBQ-UHFFFAOYSA-N
-rxn:4:174100:224721,COC(=O)C(C)(C(=O)OC)c1ccc(-c2c(C)nn(CC(=O)OC(C)(C)C)c2C)cc1,DRPQUHBFPGOSCO-UHFFFAOYSA-N
-rxn:4:174401:222522,COC(=O)c1cc(-c2ccc(OC)c(S(=O)(=O)N3CCC(O)CC3)c2)ccc1S(=O)(=O)c1ccc(OC)cc1,CVYVTXUFHHMPPP-UHFFFAOYSA-N
-rxn:4:174407:224958,COC(=O)C1(c2cccc(-c3cccc(OCC4CCCCO4)c3)c2)CC(OC)(OC)C1,WYJJUVYMSDLQRU-UHFFFAOYSA-N
-rxn:4:174470:224842,CCOC(=O)C1(Cc2ccccc2-c2ccc3c(c2)C(C)(C)CCC3(C)C)CCCCC1,JSPCNXGVTFDPNN-UHFFFAOYSA-N
-rxn:4:174487:223872,CCN(C(=O)c1cccc(-c2cc(OC)ccc2CO[Si](C)(C)C(C)(C)C)c1)C1CCCCC1,QZHPECNAXHUSRH-UHFFFAOYSA-N
-rxn:4:174493:223179,CONC(=O)c1cc(-c2cc(C(=O)CCCC3OCC(C)(C)CO3)ccc2Cl)ccc1F,RURLQGUYYWYGFA-UHFFFAOYSA-N
-rxn:4:174515:222809,CC(C)[Si](Oc1ccc(-c2cc(Cl)ncc2NC(=O)OC(C)(C)C)cc1)(C(C)C)C(C)C,HHEMBTFKNZJOMQ-UHFFFAOYSA-N
-rxn:4:174515:224088,CC(C)[Si](Oc1ccc(-c2ccc(OCCN3CCCCCC3)cc2)cc1)(C(C)C)C(C)C,HLGBVXXIEBPKNL-UHFFFAOYSA-N
-rxn:4:174515:224322,CC1CCN(S(=O)(=O)c2ccc(-c3ccc(O[Si](C(C)C)(C(C)C)C(C)C)cc3)cc2)CC1,QBQYJXZBELVQJB-UHFFFAOYSA-N
-rxn:4:174515:224598,COc1cc(N2CCC(C)CC2)ccc1-c1ccc(O[Si](C(C)C)(C(C)C)C(C)C)cc1,GFCBGDFRUUQMTM-UHFFFAOYSA-N
-rxn:4:174522:223872,CCN(C(=O)c1cccc(-c2ccc(C#C[Si](C(C)C)(C(C)C)C(C)C)cc2)c1)C1CCCCC1,JTLOEUQUCRXGFF-UHFFFAOYSA-N
-rxn:4:174522:223889,CC(C)[Si](C#Cc1ccc(-c2cccc3c2CN(C(=O)OC(C)(C)C)CC3)cc1)(C(C)C)C(C)C,JFZDQLHJDDRXHB-UHFFFAOYSA-N
-rxn:4:174522:224563,Cc1ccc(-c2ccc(C#C[Si](C(C)C)(C(C)C)C(C)C)cc2)c(O[Si](C)(C)C(C)(C)C)c1,ZUBUHCSRIXMHAN-UHFFFAOYSA-N
-rxn:4:174524:226844,COc1cc(C=Cc2cccc(-c3ccnc(C(=O)C(F)(F)F)c3)c2C)c(C(F)(F)F)cc1C1OCCO1,JCHKFBGJTUAYIU-UHFFFAOYSA-N
-rxn:4:174528:222694,COc1ccc(C)c(-c2c(C(C)C)cc(C(C)C)cc2C(C)C)c1-c1cccc(S(=O)(=O)NC2CCCCC2)c1,AYCOJRAZUGPQBH-UHFFFAOYSA-N
-rxn:4:174593:222908,COC(=O)c1c(C)oc2cc(-c3cncc(NC(=O)OC(C)(C)C)c3)c(OC(=O)C(C)(C)C)cc12,CAQIPNYQRGIAJF-UHFFFAOYSA-N
-rxn:4:174649:223179,CONC(=O)c1cc(-c2ccc(OC)c(C=C3Oc4cc(OC(=O)C(C)(C)C)ccc4C3=O)c2)ccc1F,DXBRHVFZCKHPEW-UHFFFAOYSA-N
-rxn:4:174649:226844,COc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1C=C1Oc2cc(OC(=O)C(C)(C)C)ccc2C1=O,LALZBLJFQYREAA-UHFFFAOYSA-N
-rxn:4:174656:223898,CC(C)N(C(=O)OC(C)(C)C)c1ccc(-c2cccc3cccc(C#C[Si](C(C)C)(C(C)C)C(C)C)c23)cc1,NHNHLXYUGDFSEW-UHFFFAOYSA-N
-rxn:4:174656:225286,CC(C)[Si](C#Cc1cccc2cccc(-c3cc(F)ncc3C(=O)OC(C)(C)C)c12)(C(C)C)C(C)C,NJGUQWZMJXBZTF-UHFFFAOYSA-N
-rxn:4:174657:223179,CONC(=O)c1cc(-c2ccc(OC)c(C=C3Oc4cc(OC(=O)C5CCCCC5)ccc4C3=O)c2)ccc1F,CXVVDABHIXEJJY-UHFFFAOYSA-N
-rxn:4:174657:226844,COc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1C=C1Oc2cc(OC(=O)C3CCCCC3)ccc2C1=O,BTRLLRIXHRNQHQ-UHFFFAOYSA-N
-rxn:4:174663:223279,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)COS(=O)(=O)c1ccc(-c2cnc(C3CCCN3)nc2)cc1,VMMHKPQJYRAOME-DRAMPCHASA-N
-rxn:4:174835:223999,CC1CCN(S(=O)(=O)c2ccc(F)c(-c3ccc(Cl)cc3C(=O)CCC(F)(F)F)c2)CC1,ZJIITUJXXQUARX-UHFFFAOYSA-N
-rxn:4:174887:222519,CCOC(=O)Cc1c(F)ccc(-c2cc(C(F)(F)F)ccc2NC(=O)OC(C)(C)C)c1F,WNOJIIXEFHDDCH-UHFFFAOYSA-N
-rxn:4:174896:223835,CCOC(=O)Cc1cc(F)c(-c2cc(S(=O)(=O)N3CCC(C)CC3)c(C)cc2F)c(F)c1,MLVDNCPJVWQJQM-UHFFFAOYSA-N
-rxn:4:175069:223831,CCCOc1ccc(-c2ccc(OC)c(S(=O)(=O)N3CCC(C)CC3)c2)c(C(F)(F)F)c1,GQIRICOMNKPPQA-UHFFFAOYSA-N
-rxn:4:175322:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(C(=O)OC)cc3OC(C)C)c(F)cc2C)CC1,MVQUIWDEMXOBTR-UHFFFAOYSA-N
-rxn:4:175361:222614,CC(C)OCc1ccc(-c2ccc(S(=O)(=O)NC3CC3)cc2C(F)(F)F)c(C(F)(F)F)c1,WQZRJWOFRDLAEH-UHFFFAOYSA-N
-rxn:4:175699:223559,CCOc1ccc(CC(C)C)cc1-c1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)OC(C)(C)C,QPMYDJYYZAFMFM-UHFFFAOYSA-N
-rxn:4:175813:223645,CCOC(=O)C1CCCN(C(=O)c2cccc(-c3cc(C(C)=O)ccc3C(=O)OC(C)(C)C)c2)C1,ITCPGTHERGUZPW-UHFFFAOYSA-N
-rxn:4:175823:223492,CCOc1ccc(Cc2cc(-c3ccc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c(C)c3)ccc2Cl)cc1,SHOFEXWGFPKMSF-UHFFFAOYSA-N
-rxn:4:175951:223559,COc1cc(OC)cc(-c2ccc(-c3ccc4c(c3)C(C)=CC(C)(C)N4C(=O)OC(C)(C)C)cc2OC)c1,ZAHZNIAYSAXAJH-UHFFFAOYSA-N
-rxn:4:175989:222829,CNS(=O)(=O)c1ccc(-c2ccc(OCC3CCCCC3)cc2C(F)F)c(C(F)(F)F)c1,KTPYZZNSIUYSFN-UHFFFAOYSA-N
-rxn:4:176092:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3ccc(Cl)cc3CO[Si](C)(C)C(C)(C)C)cc2)CC1,NBXNTCUKXAYQDL-UHFFFAOYSA-N
-rxn:4:176307:223179,CONC(=O)c1cc(-c2cccc(C=C3Oc4cc(OC(=O)C5CCCCC5)ccc4C3=O)c2)ccc1F,JMYVLLDGSRUHEJ-UHFFFAOYSA-N
-rxn:4:176322:223179,CCC1(CC)CC(C)(C)c2c1cc1c(c2-c2ccc(F)c(C(=O)NOC)c2)C(C)(C)CC1(CC)CC,ZHADPDTVTNFZMQ-UHFFFAOYSA-N
-rxn:4:176324:223279,CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1ccc(OCc2ccccc2-c2cnc(C3CCCN3)nc2)cc1,GPPYMZFHHZGUIC-UHFFFAOYSA-N
-rxn:4:176324:226844,CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1ccc(OCc2ccccc2-c2ccnc(C(=O)C(F)(F)F)c2)cc1,XVCYZDHKQJOQOH-UHFFFAOYSA-N
-rxn:4:176411:223669,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccccc3OS(=O)(=O)C(F)(F)F)cn2)CC1,KQHRHKXIXYDJOQ-UHFFFAOYSA-N
-rxn:4:176418:223507,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccccc2-c2cc(F)c(F)c(OCC(F)(F)F)c2)CC1,MAIDZVCQDLYZDN-UHFFFAOYSA-N
-rxn:4:176658:223541,CCOC(=O)c1ccc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC3(CC2)OCCO3)c(Cl)c1F,FTRXRACHWZGBQG-UHFFFAOYSA-N
-rxn:4:177097:223559,C#Cc1cc(OC(C)C)cc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)c1,PGRXDCYISFBANO-UHFFFAOYSA-N
-rxn:4:177228:223815,COC(=O)c1ccc(-c2ccc(Cl)c(CN3CCC4(CC3)OCCO4)c2)cc1S(C)(=O)=O,KQSVRPJHYQSZBP-UHFFFAOYSA-N
-rxn:4:177366:223491,CCOc1cc(-c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)cc(C(F)(F)F)c2)ccc1C(C)(F)F,NPHSEDHVKINJJJ-UHFFFAOYSA-N
-rxn:4:177452:223637,CSc1cc(-c2ccccc2C2CCCN(C(=O)OC(C)(C)C)C2)cc(OC(C)C)c1F,BBUJAJZXBNEQHF-UHFFFAOYSA-N
-rxn:4:177950:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3ccc(C(=O)CC(C)(C)C)cc3)cc21,WAMGLTLHPHTCBJ-UHFFFAOYSA-N
-rxn:4:178025:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1cc(C2OCCO2)cc(OC)c1OC,LFSFJADYVSRUDM-UHFFFAOYSA-N
-rxn:4:178025:223998,COc1cc(C2OCCO2)cc(-c2ccc(S(=O)(=O)N3CCC(C)CC3)c(F)c2)c1OC,FAWGSZKYJRPVLE-UHFFFAOYSA-N
-rxn:4:178173:223813,COc1ccc(-c2ccc(CN3CCC4(CC3)OCCO4)c(F)c2)cc1SC1CCOCC1,LDYPIFZNHZCQMT-UHFFFAOYSA-N
-rxn:4:178292:224197,CCN1CCN(Cc2ccc(-c3cccc(C4(C(=O)OC)CCC(=O)CC4)c3)cc2F)CC1,UTGQNYSIJFTLTH-UHFFFAOYSA-N
-rxn:4:178321:224321,Cc1ccc(OCC2COC(C)(C)O2)cc1-c1cccc(S(=O)(=O)N2CCC(C)CC2)c1,PQHPWUCDXIWNMQ-UHFFFAOYSA-N
-rxn:4:178381:225092,CCCCOc1cc(-c2c(C(C)(C)C)cc(C(C)(C)C)cc2C(C)(C)C)cc(Cl)c1OC,SVUAPYDSEKMJLF-UHFFFAOYSA-N
-rxn:4:178382:224065,CC1CCN(c2cc(-c3cc(C(C)(C)C)c(C(C)(C)C)c(C(C)(C)C)c3)cc(C3CC3)c2)CC1,JXWUEAFDEDBTIJ-UHFFFAOYSA-N
-rxn:4:178384:225736,CCCOc1c(OC)ccc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c1F,YFMDSZNDFMEUCO-UHFFFAOYSA-N
-rxn:4:178384:227019,CC(C)(C#N)c1cccc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c1,PHPQNMLQNGTHAJ-UHFFFAOYSA-N
-rxn:4:178384:227377,c1ncc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c(C2CCCC2)n1,SXBAYXWFVQCWAV-UHFFFAOYSA-N
-rxn:4:178384:227562,COc1ccc(F)c(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c1OC,NFYFHSICLANJCW-UHFFFAOYSA-N
-rxn:4:178585:224129,CN(C(=O)c1cccc(-c2ccc3c(c2)C(O[Si](C)(C)C(C)(C)C)CCO3)c1)C1CCCCC1,SIUBDLMLMJMUPM-UHFFFAOYSA-N
-rxn:4:178597:225398,Cc1ccc(-c2ccc(-c3ccc(OC(=O)C4OC5OC(C)(C)OC5C5OC(C)(C)OC45)cc3)cc2)cc1,MMDFEWSCQOOKDO-UHFFFAOYSA-N
-rxn:4:178597:227042,CCOc1cc(C)c(-c2ccc(OC(=O)C3OC4OC(C)(C)OC4C4OC(C)(C)OC34)cc2)c(C)c1,JYDVPUYWDVPWMC-UHFFFAOYSA-N
-rxn:4:178597:227057,COc1cccc(-c2ccc(OC(=O)C3OC4OC(C)(C)OC4C4OC(C)(C)OC34)cc2)c1C1CC1,BFPWVQHZAHUYIQ-UHFFFAOYSA-N
-rxn:4:178597:227307,Cc1ccc(-c2ccc(OC(=O)C3OC4OC(C)(C)OC4C4OC(C)(C)OC34)cc2)c(OC(C)C)n1,HVQCVCZJCOLNML-UHFFFAOYSA-N
-rxn:4:178597:228055,Cn1c(-c2ccc(OC(=O)C3OC4OC(C)(C)OC4C4OC(C)(C)OC34)cc2)nc2ccccc21,YLJZNXGFGUQOHY-UHFFFAOYSA-N
-rxn:4:178597:228783,COc1ccc(Cl)c(-c2ccc(OC(=O)C3OC4OC(C)(C)OC4C4OC(C)(C)OC34)cc2)c1,VEJWYLRRSJMMFF-UHFFFAOYSA-N
-rxn:4:178597:229100,Cc1nccc(-c2ccc(OC(=O)C3OC4OC(C)(C)OC4C4OC(C)(C)OC34)cc2)c1F,BBRJGZFMBRZBAF-UHFFFAOYSA-N
-rxn:4:178597:229103,Cc1cc(-c2ccc(OC(=O)C3OC4OC(C)(C)OC4C4OC(C)(C)OC34)cc2)cc(Cl)n1,WMYDUUXNTPLHQM-UHFFFAOYSA-N
-rxn:4:178626:223502,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3cc(Cl)ccc3OC(F)F)cc2F)CC1,MDUOGWUHFHUFCW-UHFFFAOYSA-N
-rxn:4:178692:223635,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3cc(OC(F)(F)F)c(Cl)cc3F)cc2)CC1,HDDYWMWUIKONJO-UHFFFAOYSA-N
-rxn:4:180025:223696,COc1ccc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc2)c(C2OCCO2)c1F,GUVVVWZRRKNKDE-UHFFFAOYSA-N
-rxn:4:180392:223679,CCN1CCN(S(=O)(=O)c2c(C)cc(-c3ccc(C4CCOC4)cc3C3CC3)cc2C)CC1,PATVAQQRXGGMCQ-UHFFFAOYSA-N
-rxn:4:180512:223790,Cc1cc(CC2CCCCC2)ccc1-c1cncc(C2CCCN2C(=O)OC(C)(C)C)c1,NZIYQWJASYEPDC-UHFFFAOYSA-N
-rxn:4:180637:223499,COC(=O)C1=Cc2ccc(-c3ccc(Cl)c(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c3)cc2OC1,MSEJSJVMKMMGOJ-UHFFFAOYSA-N
-rxn:4:180792:224733,CCOC1CCC2(CC1)Cc1ccc(-c3ccc(OC(F)F)c(OC4CCC4)c3)cc1C2=O,NTLYLYSIOVTQBJ-UHFFFAOYSA-N
-rxn:4:182372:224169,CO[C@H]1CC[C@]2(CC1)Cc1ccc(-c3cccc(OCCCN4CCOCC4)c3)cc1C2=O,NMAONBHNMVUOHT-XBTDCMMSSA-N
-rxn:4:182376:225090,CCOCc1cc(OC)c(-c2ccc3c(c2)C(=O)[C@@]2(C3)C[C@@H](C)[C@H](OC)[C@@H](C)C2)c(OC)c1,PLJHGBXMEJBYIT-OSELZAKSSA-N
-rxn:4:182416:223279,CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1ccc(-c2cnc(C3CCCN3)nc2)cc1,OIAQJHDFPXFJTH-UHFFFAOYSA-N
-rxn:4:183135:223482,CC1(C)Cc2ccc(-c3ccc(OC(F)(F)F)c(S(=O)(=O)N4CCC5(CC4)OCCO5)c3)cc2O1,YGQVQIULMFYBNC-UHFFFAOYSA-N
-rxn:4:183263:223574,CC(C)(C)OC(=O)N1CCN(Cc2cccc(-c3ccc4c(c3)C(C)(C)CC4(C)C)c2)CC1,GJLVWKIXNBMEHO-UHFFFAOYSA-N
-rxn:4:183271:225683,Cc1nc(C2CCCOC2)ccc1-c1ccc2c(c1)OCCOCCOCCOCCO2,RQIGOTSMZRPDQF-UHFFFAOYSA-N
-rxn:4:183273:228201,c1cc2c(cc1-c1cnc(C3CCC3)nc1)OCCOCCOCCOCCOCCOCCO2,GDOXETDQJBUUEM-UHFFFAOYSA-N
-rxn:4:183274:224458,CC1CCN(C(C)c2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCOCCO4)cc2)CC1,XBLSNJRICSLDSU-UHFFFAOYSA-N
-rxn:4:183380:223489,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3ccc4c(c3)C3(CCCCC3)c3ccccc3-4)cc2)CC1,ZOVIYYVIESSSNS-UHFFFAOYSA-N
-rxn:4:183493:224170,CCOC(=O)Cc1c(C#N)ccc(C(F)F)c1-c1ccc(OCCCN2CCCC2)c(Cl)c1,YKNBQVHEZJYGMX-UHFFFAOYSA-N
-rxn:4:183529:225304,CCOC(=O)Cc1cc(-c2cc(C(F)(F)F)cnc2C(C)(C)C)c(C#N)c(C(F)(F)F)c1,SRVSKLQPEGSOKH-UHFFFAOYSA-N
-rxn:4:183541:225357,CCOC(=O)Cc1cc(-c2cc(OCC)cc(C(F)(F)F)c2F)cc(C#N)c1C(F)(F)F,DUWDDAMIFHBFAN-UHFFFAOYSA-N
-rxn:4:183590:223953,CCCOc1cc(C(=O)OC)c([N+](=O)[O-])cc1-c1cc(F)cc(N2CCN(CCOC)CC2)c1,KIYYSFWACMEQMK-UHFFFAOYSA-N
-rxn:4:183646:224113,COc1ccccc1COc1ccc(-c2ccc(C(=O)ON3C(=O)CCC3=O)c(OCC(F)(F)F)c2)cc1,LAHFRBBUALLBLG-UHFFFAOYSA-N
-rxn:4:183646:226844,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1OCC(F)(F)F,MSJZZROHMMIPLE-UHFFFAOYSA-N
-rxn:4:183694:226844,COC(=O)C1CN(Cc2cc(OC(F)(F)F)cc(-c3ccnc(C(=O)C(F)(F)F)c3)c2)C1,PMKLLFTVNZIQJK-UHFFFAOYSA-N
-rxn:4:183695:225725,CCOC(=O)c1ccc(C#N)c(-c2cc(OC(F)(F)F)ccc2OCC(=O)N2CCCC2)c1,PWPOBKZSACQCBH-UHFFFAOYSA-N
-rxn:4:183722:224080,CC(C)(C)OC(=O)N(CC(F)(F)F)c1cccc(-c2ccc(OCCCN3CCCCC3)cc2)c1,BAKJKZQBJZEWBB-UHFFFAOYSA-N
-rxn:4:183729:223279,O=C(COc1ccc(OC(F)(F)F)cc1-c1cnc(C2CCCN2)nc1)N1CCOCC1,RCYSFJSFFITLTL-UHFFFAOYSA-N
-rxn:4:183730:223180,CONC(=O)c1ccc(-c2ccc(OC(F)(F)F)cc2OCC(=O)N2CCOCC2)cc1F,LZPZUVOWWPEOQN-UHFFFAOYSA-N
-rxn:4:183741:223582,CCOc1cc(-c2cc3ccc(C(=O)OC)cc3n2C(=O)OC(C)(C)C)ccc1S(=O)(=O)N(CC)CC,NYVZXSJMXFDUBT-UHFFFAOYSA-N
-rxn:4:183749:222940,CC(C)(C)NS(=O)(=O)c1cncc(-c2ccc(OC(F)(F)F)cc2OCCN2CCOCC2)c1,GJUFTJYKBIILSP-UHFFFAOYSA-N
-rxn:4:183751:224075,CCCOC(=O)CN1C(=O)C(=Cc2cccc(-c3ccc4ccn([Si](C)(C)C(C)(C)C)c4c3)c2)SC1=S,NFKXOGMGDFZZPB-UHFFFAOYSA-N
-rxn:4:183755:226844,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1OCC1CC1,VSVGLMAUQBBCEG-UHFFFAOYSA-N
-rxn:4:183760:223557,COCCOc1cc(-c2c(F)ccc3c2ccn3[Si](C(C)C)(C(C)C)C(C)C)ccc1C(=O)N1CCCC1,ZBFGUIAWHNXIDM-UHFFFAOYSA-N
-rxn:4:183765:223179,CONC(=O)c1cc(-c2ccccc2S(=O)(=O)N2CCC(SCC(=O)OC)C2)ccc1F,AWELWUCNIJENHW-UHFFFAOYSA-N
-rxn:4:183772:226844,O=C(COc1cc(OC(F)(F)F)ccc1-c1ccnc(C(=O)C(F)(F)F)c1)N1CCCC(F)(F)C1,MUAUINMXUMWPLH-UHFFFAOYSA-N
-rxn:4:183797:226844,CCCCN(C(=O)c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)o1)C1CCS(=O)(=O)C1,VHVMZNODUYRXGP-UHFFFAOYSA-N
-rxn:4:183801:223179,CONC(=O)c1cc(-c2cc(C)cc(N(CC(F)(F)F)C(=O)OC(C)(C)C)c2)ccc1F,RBDLWHAMDKFQOF-UHFFFAOYSA-N
-rxn:4:183804:226844,O=C(c1cc(-c2cc(OC(F)(F)F)ccc2OCCN2CCCCC2)ccn1)C(F)(F)F,WFIPXRJHFRJJPI-UHFFFAOYSA-N
-rxn:4:183808:226844,O=C(c1cc(-c2ccc(OC(F)(F)F)cc2OCCN2CCC(F)(F)CC2)ccn1)C(F)(F)F,PRCLDUJAMPXDQC-UHFFFAOYSA-N
-rxn:4:183809:223279,FC1(F)CCCN(CCOc2ccc(OC(F)(F)F)cc2-c2cnc(C3CCCN3)nc2)C1,MIFHIRABELEDCI-UHFFFAOYSA-N
-rxn:4:183866:223179,CCOC(=O)c1c(C)c(-c2ccc(F)c(C(=O)NOC)c2)c(C)n1C(=O)OC(C)(C)C,YAFODHVCBWHFSL-UHFFFAOYSA-N
-rxn:4:183885:224180,CN1CCN(CCOc2ccccc2-c2ccccc2OCCCN2CCCC(C(F)(F)F)C2)CC1,GXIZJHJJLIQWKW-UHFFFAOYSA-N
-rxn:4:183885:226775,COC(=O)c1cc(F)c(-c2ccccc2OCCCN2CCCC(C(F)(F)F)C2)cc1Cl,QCEQJHSVCZDSOZ-UHFFFAOYSA-N
-rxn:4:183885:226844,O=C(c1cc(-c2ccccc2OCCCN2CCCC(C(F)(F)F)C2)ccn1)C(F)(F)F,BXYZHTKCXONYSM-UHFFFAOYSA-N
-rxn:4:183891:223689,CCN1CCN(S(=O)(=O)c2cc(-c3cc(CC(=O)N4CCC4)ccc3OCc3ccccc3)ccc2OC)CC1,HUXGDGJHPCQWFX-UHFFFAOYSA-N
-rxn:4:183892:226844,COC(=O)c1cc(OCCN2CCC(F)(F)CC2)cc(-c2ccnc(C(=O)C(F)(F)F)c2)c1,HEZQKFZTJLSWIY-UHFFFAOYSA-N
-rxn:4:183893:226989,CCN(CC)c1ccc(-c2cccc(F)c2OCCCN2CCCC(C(F)(F)F)C2)cc1,GUWQLNYYJLVPNN-UHFFFAOYSA-N
-rxn:4:183903:225564,COC(=O)C(C)(C)c1cccc(-c2cnc(C#C[Si](C)(C)C)c(OC(=O)OC(C)(C)C)c2)c1,NEFJPTMLDLEWJB-UHFFFAOYSA-N
-rxn:4:183905:223179,CCCCN(C(=O)c1ccc(-c2ccc(F)c(C(=O)NOC)c2)cc1)C1CCS(=O)(=O)C1,MWXOJRYRROTVAP-UHFFFAOYSA-N
-rxn:4:183905:226844,CCCCN(C(=O)c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1)C1CCS(=O)(=O)C1,ZWTMYTUJJHYFEY-UHFFFAOYSA-N
-rxn:4:183906:223179,CCCCOc1cc(S(=O)(=O)N2CCOCC2)ccc1-c1ccc(F)c(C(=O)NOC)c1,BWVLMADAAGXAIM-UHFFFAOYSA-N
-rxn:4:183941:223279,CCCCN(C1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(-c2cnc(C3CCCN3)nc2)cc1,MVQYEJHKRCAMOD-UHFFFAOYSA-N
-rxn:4:183942:226844,COc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)c(C(=O)N2CC(S(=O)(=O)CC(C)C)C2)c1,MAGDCOHDQUALSZ-UHFFFAOYSA-N
-rxn:4:183944:223179,CONC(=O)c1cc(-c2cccc(S(=O)(=O)CC3CN(C(=O)OC(C)(C)C)C3)c2)ccc1F,IWJZTJFFHUJHMR-UHFFFAOYSA-N
-rxn:4:183944:223279,CC(C)(C)OC(=O)N1CC(CS(=O)(=O)c2cccc(-c3cnc(C4CCCN4)nc3)c2)C1,PWJVXNBYBZKFFN-UHFFFAOYSA-N
-rxn:4:183958:226844,CC(C)(C)OC(=O)N1CCC(COc2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2)C1,YWASVMQVXPQMSA-UHFFFAOYSA-N
-rxn:4:183959:225054,Cc1cc(-c2ccc(N3CCCCC3C)cc2Cl)ccc1OCC1CN(C(=O)OC(C)(C)C)C1,PXBMEVYKQKSVIH-UHFFFAOYSA-N
-rxn:4:183959:226844,Cc1cc(-c2ccnc(C(=O)C(F)(F)F)c2)ccc1OCC1CN(C(=O)OC(C)(C)C)C1,IKGGFBYJEDEJTJ-UHFFFAOYSA-N
-rxn:4:183960:223179,CONC(=O)c1cc(-c2ccc(OCC3CN(C(=O)OC(C)(C)C)C3)cc2C)ccc1F,IJWPGJJCBXLZFI-UHFFFAOYSA-N
-rxn:4:183965:223933,COC(=O)c1cc(OCCN2CCCC(C)C2)cc(-c2cc3cc(F)ccc3n2C(=O)OC(C)(C)C)c1,XGWHBWJQDYGHGT-UHFFFAOYSA-N
-rxn:4:183966:223670,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2cc(Cl)cc(OCC3CCN(C(=O)OC(C)(C)C)C3)c2)CC1,MRYIVOLWERDSPS-UHFFFAOYSA-N
-rxn:4:183967:223179,CONC(=O)c1cc(-c2ccc(Cl)c(OCC3CCN(C(=O)OC(C)(C)C)C3)c2)ccc1F,VNJVMVFHWADYIX-UHFFFAOYSA-N
-rxn:4:183968:223279,CC(C)(C)OC(=O)N1CCC(COc2cc(F)cc(-c3cnc(C4CCCN4)nc3)c2)C1,ZPNFOCPYQJQZIL-UHFFFAOYSA-N
-rxn:4:183969:228169,CCOC(=O)C1CCN(S(=O)(=O)c2ccc(-c3ccc(OCC)c(Cl)c3)c(OC)c2)CC1,MBJISDJARPOXPV-UHFFFAOYSA-N
-rxn:4:183985:225752,COC(=O)c1cnc(C(C)C)c(-c2ccc(O[Si](C(C)C)(C(C)C)C(C)C)cc2C#N)c1,AIEHZAPWZHCXKW-UHFFFAOYSA-N
-rxn:4:183989:226844,CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)Cc1c(F)cc(F)cc1-c1ccnc(C(=O)C(F)(F)F)c1,DZSAEDDKMCRLMZ-IBGZPJMESA-N
-rxn:4:183994:223179,CONC(=O)c1cc(-c2ccc(CN(C(=O)OC(C)(C)C)C3CCCC3)cc2)ccc1F,NULMUDGSXHMOCA-UHFFFAOYSA-N
-rxn:4:183995:226292,Cc1cc(CN(C(=O)OC(C)(C)C)C2CCC2)cc(-c2ccc(C(=O)OC(C)C)cc2)c1,NCORFFWIMZXUEN-UHFFFAOYSA-N
-rxn:4:183997:223279,CC(C)(C)OC(=O)N(Cc1cccc(Cl)c1-c1cnc(C2CCCN2)nc1)C1CCCC1,BTSYXYUQSPHJQM-UHFFFAOYSA-N
-rxn:4:184000:224720,Cc1ccc(-c2cn(C(=O)OC(C)(C)C)nc2C2CC2)cc1N(Cc1ccccc1)C(=O)OC(C)(C)C,WRJAUPFNWZBAAG-UHFFFAOYSA-N
-rxn:4:184001:223179,CONC(=O)c1cc(-c2ccc(C3(C(=O)OC)CCN(C(=O)OC(C)(C)C)C3)c(Cl)c2)ccc1F,GDZJMGKBTOTRSW-UHFFFAOYSA-N
-rxn:4:184001:226844,COC(=O)C1(c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2Cl)CCN(C(=O)OC(C)(C)C)C1,YHZFMTCFHNAVED-UHFFFAOYSA-N
-rxn:4:184006:224065,COc1ccc(C(=O)N(c2ccc(-c3cc(C4CC4)cc(N4CCC(C)CC4)c3)cc2)C2C=CS(=O)(=O)C2)cc1OC,ZATVQFDYOZABKQ-UHFFFAOYSA-N
-rxn:4:184006:226844,COc1ccc(C(=O)N(c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2)C2C=CS(=O)(=O)C2)cc1OC,VUUHHDUKLQZZSV-UHFFFAOYSA-N
-rxn:4:184010:226844,CCOc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1S(=O)(=O)N(CC)C1CCCCC1,ZZQOYSPHEZPYBL-UHFFFAOYSA-N
-rxn:4:184012:226844,CCCOc1cc(S(=O)(=O)N(C)C2CCCCC2)ccc1-c1ccnc(C(=O)C(F)(F)F)c1,NHEZYBCOEVZMBZ-UHFFFAOYSA-N
-rxn:4:184015:223179,CONC(=O)c1cc(-c2cccc(COC3CCN(C(=O)OC(C)(C)C)CC3)c2)ccc1F,UBJPWDLYUJNRSM-UHFFFAOYSA-N
-rxn:4:184016:223179,CONC(=O)c1cc(-c2ccccc2COC2CCN(C(=O)OC(C)(C)C)CC2)ccc1F,MKGQLFXENJDKKC-UHFFFAOYSA-N
-rxn:4:184017:226844,CC(C)(C)OC(=O)N1CCC(COc2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2)CC1,SVAQPWBMXLXDAP-UHFFFAOYSA-N
-rxn:4:184019:225775,COC(=O)c1cc(-c2c(C)cc(OCC3CN(C(=O)OC(C)(C)C)C3)cc2C)cc(OC)c1C,ACPZMMKJDIOMMC-UHFFFAOYSA-N
-rxn:4:184021:223179,CONC(=O)c1cc(-c2c(Cl)cccc2CN(C(=O)OC(C)(C)C)C2CCOCC2)ccc1F,UWTZTZMMNCJKRU-UHFFFAOYSA-N
-rxn:4:184021:227781,CC(C)(C)OC(=O)N(Cc1cccc(Cl)c1-c1cnc(Cl)cc1C(F)(F)F)C1CCOCC1,WZTPZUUVTFCZSY-UHFFFAOYSA-N
-rxn:4:184025:223179,CONC(=O)c1cc(-c2ccc(Cl)c(OCC3CCN(C(=O)OC(C)(C)C)CC3)c2)ccc1F,HHXVLXQWMHGOKE-UHFFFAOYSA-N
-rxn:4:184025:223279,CC(C)(C)OC(=O)N1CCC(COc2cc(-c3cnc(C4CCCN4)nc3)ccc2Cl)CC1,YQFPKIKEFXILBK-UHFFFAOYSA-N
-rxn:4:184026:223167,CC(C)(C)OC(=O)N1CCCC(COc2cc(-c3ccnc(N4CCNCC4)c3)ccc2Cl)C1,RFPUPDCRHQQCTL-UHFFFAOYSA-N
-rxn:4:184026:223279,CC(C)(C)OC(=O)N1CCCC(COc2cc(-c3cnc(C4CCCN4)nc3)ccc2Cl)C1,RLVRLSJOABSHAM-UHFFFAOYSA-N
-rxn:4:184027:223179,CONC(=O)c1cc(-c2ccc(OCC3CCN(C(=O)OC(C)(C)C)CC3)c(F)c2)ccc1F,KXNPEYIRGLIZEV-UHFFFAOYSA-N
-rxn:4:184030:223279,CC(C)(C)OC(=O)N1CCC(COc2cccc(F)c2-c2cnc(C3CCCN3)nc2)CC1,JPSVASYSSVRQDA-UHFFFAOYSA-N
-rxn:4:184032:223179,CONC(=O)c1cc(-c2cc(F)cc(OCC3CCCCN3C(=O)OC(C)(C)C)c2)ccc1F,ORZDRTSONXGLNX-UHFFFAOYSA-N
-rxn:4:184034:223279,CCOC(=O)C1CCN(S(=O)(=O)c2cc(-c3cnc(C4CCCN4)nc3)c(C)cc2OC)CC1,BLAYHBZTNBIJSE-UHFFFAOYSA-N
-rxn:4:184050:223491,COc1ccc(-c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)cc(C(F)(F)F)c2)c(C(=O)N2CCCC2CS(=O)(=O)c2ccccc2)c1,CLPGZUVHLJKNSS-UHFFFAOYSA-N
-rxn:4:184055:226844,COc1cc(-c2ccnc(C(=O)C(F)(F)F)c2)ccc1OC1CCN(C(=O)OC(C)(C)C)CC1,WDJGADWUUDPRKW-UHFFFAOYSA-N
-rxn:4:184056:226844,COc1cc(OC2CCN(C(=O)OC(C)(C)C)CC2)ccc1-c1ccnc(C(=O)C(F)(F)F)c1,QQJXIQQJPGPIKA-UHFFFAOYSA-N
-rxn:4:184062:223179,CONC(=O)c1cc(-c2ccc(CN(C(=O)OC(C)(C)C)C3CCCC3)cc2C)ccc1F,ADIGWRILDKKLGJ-UHFFFAOYSA-N
-rxn:4:184062:226844,Cc1cc(CN(C(=O)OC(C)(C)C)C2CCCC2)ccc1-c1ccnc(C(=O)C(F)(F)F)c1,UBWZKEJKELKDJR-UHFFFAOYSA-N
-rxn:4:184062:227288,Cc1cc(CN(C(=O)OC(C)(C)C)C2CCCC2)ccc1-c1ccccc1C(=O)N(C)C,QHMKRLIUNWVNAL-UHFFFAOYSA-N
-rxn:4:184065:226844,CC(C)(C)OC(=O)N(Cc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1)C1CCCCC1,LVSFZJNDFSHWHJ-UHFFFAOYSA-N
-rxn:4:184066:226844,CC(C)(C)OC(=O)N(Cc1cccc(Cl)c1-c1ccnc(C(=O)C(F)(F)F)c1)C1CCCCC1,VTDZVFBENYPHLW-UHFFFAOYSA-N
-rxn:4:184068:223179,CONC(=O)c1cc(-c2ccccc2CCC(=O)N2CC(S(=O)(=O)C3CCCCC3)C2)ccc1F,RQFRCHVUSVIZDH-UHFFFAOYSA-N
-rxn:4:184068:223279,O=C(CCc1ccccc1-c1cnc(C2CCCN2)nc1)N1CC(S(=O)(=O)C2CCCCC2)C1,FWVRFUYWPUEGNQ-UHFFFAOYSA-N
-rxn:4:184070:226844,COC(=O)C1(c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2C)CCN(C(=O)OC(C)(C)C)C1,MEXKSLFVUIFDIM-UHFFFAOYSA-N
-rxn:4:184070:228713,COC(=O)C1(c2ccc(-c3ccn(C(C)(C)C)n3)cc2C)CCN(C(=O)OC(C)(C)C)C1,VRFIEHQKJKYXFA-UHFFFAOYSA-N
-rxn:4:184071:225179,CC(C)(C)OC(=O)N1CCC(CS(=O)(=O)c2cccc(-c3cccc(Cl)c3CN3CCOCC3)c2)CC1,OUCUNKSXOBETKD-UHFFFAOYSA-N
-rxn:4:184071:226844,CC(C)(C)OC(=O)N1CCC(CS(=O)(=O)c2cccc(-c3ccnc(C(=O)C(F)(F)F)c3)c2)CC1,ZNIULXOKSOPBTQ-UHFFFAOYSA-N
-rxn:4:184072:226844,CC(C)(C)OC(=O)N1CCCC(CS(=O)(=O)c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2)C1,UIPGNUOHILFECO-UHFFFAOYSA-N
-rxn:4:184073:223179,CONC(=O)c1cc(-c2cccc(S(=O)(=O)CC3CCCN(C(=O)OC(C)(C)C)C3)c2)ccc1F,JBEDHCVCKTVSBT-UHFFFAOYSA-N
-rxn:4:184075:223053,CCc1ccc(CN(C(=O)c2ccc(-c3ccc(C(=O)NC(C)C)cc3F)cc2)C2CCS(=O)(=O)C2)cc1,VHTQTHAKECFGRP-UHFFFAOYSA-N
-rxn:4:184085:223279,Cc1c(OCC2CCN(C(=O)OC(C)(C)C)CC2)cccc1-c1cnc(C2CCCN2)nc1,RJQAVAZBWSVNJO-UHFFFAOYSA-N
-rxn:4:184087:223279,O=C(C1=C(c2ccccc2)SCCO1)N(Cc1ccc(-c2cnc(C3CCCN3)nc2)o1)C1CCS(=O)(=O)C1,VALJMXSOPWIICQ-UHFFFAOYSA-N
-rxn:4:184090:223179,CONC(=O)c1cc(-c2cc(C(=O)OC)cc(C3CCN(C(=O)OC(C)(C)C)CC3C)c2)ccc1F,DHISCJDDCNOPIZ-UHFFFAOYSA-N
-rxn:4:184092:223179,CONC(=O)c1cc(-c2ccc(CN(C(=O)c3ccc(C(C)(C)C)cc3)C3CCS(=O)(=O)C3)o2)ccc1F,KMJMOYJYQQFIJI-UHFFFAOYSA-N
-rxn:4:184092:223279,CC(C)(C)c1ccc(C(=O)N(Cc2ccc(-c3cnc(C4CCCN4)nc3)o2)C2CCS(=O)(=O)C2)cc1,MKJWUOIZEJRHIG-UHFFFAOYSA-N
-rxn:4:184092:226844,CC(C)(C)c1ccc(C(=O)N(Cc2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)o2)C2CCS(=O)(=O)C2)cc1,XQJACTDZTVVFHU-UHFFFAOYSA-N
-rxn:4:184095:223835,Cc1cc(F)c(-c2ccc(S(=O)(=O)N3CCC[C@@H]3CO[Si](C)(C)C(C)(C)C)cc2)cc1S(=O)(=O)N1CCC(C)CC1,SYEUPBYAWFAPBN-RUZDIDTESA-N
-rxn:4:184096:227941,COCc1cc(C)cc(-c2ccc(CN(C(=O)OC(C)(C)C)C3CCC(C)(C)CC3)cc2)c1,RLYLSALWRNTYMI-UHFFFAOYSA-N
-rxn:4:184097:226844,CC(C)(C)c1ccc(CN(C(=O)c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2)C2CCS(=O)(=O)C2)cc1,UBIJHCCBMLUEDA-UHFFFAOYSA-N
-rxn:4:184152:223279,CCOC(=O)c1c(C)oc2cc(-c3cnc(C4CCCN4)nc3)c(OC(=O)N3CCOCC3)cc12,CPGOSYFJHVCGIO-UHFFFAOYSA-N
-rxn:4:184152:226844,CCOC(=O)c1c(C)oc2cc(-c3ccnc(C(=O)C(F)(F)F)c3)c(OC(=O)N3CCOCC3)cc12,HJLPLZWYOWXAPD-UHFFFAOYSA-N
-rxn:4:184164:222389,COC(=O)c1c(C)oc2ccc(N(C(C)=O)S(=O)(=O)c3ccc(-c4cc(C5CCNCC5)nc(C5CCNCC5)c4)cc3)cc12,BZEXRKFZVZKAJY-UHFFFAOYSA-N
-rxn:4:184182:223279,COc1ccc(CCC(=O)N2C3CCC2CC(SC)C3)cc1-c1cnc(C2CCCN2)nc1,DUHKJZMDVWOWIQ-UHFFFAOYSA-N
-rxn:4:184183:223179,CONC(=O)c1cc(-c2ccc(OC)c(CCC(=O)N3C4CCC3CC(SC)C4)c2)ccc1F,JKBLXAQRQOSORM-UHFFFAOYSA-N
-rxn:4:184183:226844,COc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1CCC(=O)N1C2CCC1CC(SC)C2,IFBBUDLMDKARMZ-UHFFFAOYSA-N
-rxn:4:184189:223279,COC(=O)C1CCN(C(=O)Cc2c(OC)ccc3cc(-c4cnc(C5CCCN5)nc4)ccc23)CC1,DQZFZFYTXBUZCQ-UHFFFAOYSA-N
-rxn:4:184199:223179,CONC(=O)c1cc(-c2ccc(CN(C(=O)OC(C)(C)C)C3CCOC3)c3ccccc23)ccc1F,NQMIUEIBHBAYJO-UHFFFAOYSA-N
-rxn:4:184218:223179,CONC(=O)c1cc(-c2ccc3c(C)c(C(=O)N(Cc4cccc(OC)c4)C4CCS(=O)(=O)C4)oc3c2)ccc1F,SEEPJMWBDUJQLG-UHFFFAOYSA-N
-rxn:4:184219:223279,CC(C)(C)OC(=O)n1c(-c2cnc(C3CCCN3)nc2)cc2cc(O[Si](C)(C)C(C)(C)C)ccc21,OVEASDKDXVNLDR-UHFFFAOYSA-N
-rxn:4:184224:223568,Cc1ccc(C(=O)C(C)OC(=O)c2cc(-c3ccccc3)nc3c(C)cc(-c4cnc5c(ccn5[Si](C(C)C)(C(C)C)C(C)C)c4Cl)cc23)cc1,SIXCAMGYODCXQW-UHFFFAOYSA-N
-rxn:4:184227:223279,O=C(CN1C(=O)C2C3C=CC(C3)C2C1=O)OCC(=O)c1ccc(-c2cnc(C3CCCN3)nc2)cc1,FBPJJAQOHNRVKS-UHFFFAOYSA-N
-rxn:4:184233:223501,CC(C)OCCCN1C(=O)c2oc3ccccc3c(=O)c2C1c1cccc(-c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c(Cl)c2)c1,CIRWLUUXMFTYII-UHFFFAOYSA-N
-rxn:4:184312:225747,Cc1ccc(-c2cccc([N+](=O)[O-])c2OC(C(F)(F)F)C(F)(F)F)n1C(=O)OC(C)(C)C,HBLWTMQWKFOQFM-UHFFFAOYSA-N
-rxn:4:184391:224168,CCN(C(=O)OC(C)(C)C)c1cccc(-c2cc(C(F)F)cc(CC(=O)OC)c2C#N)c1,KOOLEWAIEVNARW-UHFFFAOYSA-N
-rxn:4:184440:223699,COC(=O)Cc1ccc(C(F)(F)F)c(C#N)c1-c1ccc(S(=O)(=O)N2CCOCC2)cc1C(F)(F)F,LCCGQCHNSSEZAL-UHFFFAOYSA-N
-rxn:4:184451:222724,COC(=O)Cc1cc(C(F)(F)F)cc(-c2cnc(N3CCNCC3)c(C(F)(F)F)c2)c1C#N,UIAFUIFJXQOZFG-UHFFFAOYSA-N
-rxn:4:184456:224598,COC(=O)Cc1cc(C#N)c(C(F)(F)F)c(-c2ccc(N3CCC(C)CC3)cc2OC)c1,QYCWQPLZGNMPFY-UHFFFAOYSA-N
-rxn:4:184460:223845,COC(=O)Cc1c(C#N)cc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCN(C)CC2)cc1C(F)(F)F,WWPMMKFDEAHTFO-UHFFFAOYSA-N
-rxn:4:184677:224089,COC(=O)CN(C)S(=O)(=O)c1ccc(-c2ccc(OCCN3CCC(C)CC3)cc2)cc1,HUTHJUJVGOBGBY-UHFFFAOYSA-N
-rxn:4:184721:224018,CCOc1cc(C(=O)N(C)OC)cc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCOCC2)c1,DQNLPQHRTIAFDF-UHFFFAOYSA-N
-rxn:4:184867:223636,CCCOc1cc(S(=O)(=O)N(C)C)ccc1-c1ccc(C2CCCN(C(=O)OC(C)(C)C)C2)cc1,OOTGWMOSTQLGCE-UHFFFAOYSA-N
-rxn:4:184889:225220,COC(=O)C1CN(Cc2ccc(-c3cnc(N4CCCCC4C)c(Cl)c3)cc2C(F)(F)F)C1,GYQQHRWQLYXRSE-UHFFFAOYSA-N
-rxn:4:184891:222444,COc1ccc(F)cc1C(=O)NCc1ccc(-c2cc(C(F)(F)F)ccc2OCC(=O)N2CCCC2)cc1,YMKNHLKOMODDPR-UHFFFAOYSA-N
-rxn:4:184969:226844,CC(C)Oc1cc(-c2ccnc(C(=O)C(F)(F)F)c2)ccc1C(=O)ON1C(=O)CCC1=O,QTTHEIHFHCVCCW-UHFFFAOYSA-N
-rxn:4:184988:223681,CC(=O)c1cc(-c2cc3cc([N+](=O)[O-])ccc3n2C(=O)OC(C)(C)C)ccc1OCCN1CCCC1,HWFKLBUQDIURJM-UHFFFAOYSA-N
-rxn:4:185004:224751,O=C(COc1ccc(C(F)(F)F)cc1-c1ccc(F)c(C(=O)N2CCOCC2)c1)N1CCCCC1,CFXLUKZUKRLBDQ-UHFFFAOYSA-N
-rxn:4:185005:226844,O=C(COc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1)N1CCCC(C(F)(F)F)C1,HDQOVZVWEVPISK-UHFFFAOYSA-N
-rxn:4:185017:223507,COc1ccc(-c2ccccc2S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c(CN(C)CC2CCC2)c1,DJTLQCOYJIRQCX-UHFFFAOYSA-N
-rxn:4:185036:224265,FC(F)CN1CCC(COc2ccccc2-c2cc(C3CCCCC3)cc(C(F)(F)F)c2)CC1,YDSWTBARNULMQR-UHFFFAOYSA-N
-rxn:4:185061:227719,Fc1cc(Cl)cc(-c2ccc(Cl)c(OC(F)F)c2)c1OCCN1CCCC(C(F)(F)F)C1,QYTOPEXIDFGAAT-UHFFFAOYSA-N
-rxn:4:185087:222545,COc1ccc(-c2ccc(C(C)(C)NC(=O)OC(C)(C)C)cc2)c(C(=O)N(C(C)C)C(C)C)c1,RIBHWMLTTZFFPM-UHFFFAOYSA-N
-rxn:4:185097:224849,COC1CCN(CCOc2c(F)cc(Cl)cc2-c2cc(C3CCCC3)cc(C3CC3)c2)CC1,JCPWSRIBHPBIFW-UHFFFAOYSA-N
-rxn:4:185102:223179,CONC(=O)c1cc(-c2ccc(C(=O)N(CC(C)C)C3CCS(=O)(=O)C3)o2)ccc1F,IVTCWFBLMBOINN-UHFFFAOYSA-N
-rxn:4:185106:224741,COc1cc(C2OCCO2)cc(OC)c1-c1ccc(C(=O)N2CC(OCC3CCOC3)C2)cc1,SEOZCTXKCCCBPY-UHFFFAOYSA-N
-rxn:4:185110:223179,CONC(=O)c1cc(-c2ccc(CN3CCC(OC)CC3)c(OC(F)(F)F)c2)ccc1F,RUPDLOKMYCCBBR-UHFFFAOYSA-N
-rxn:4:185111:224588,COC(=O)C1CCN(C(=O)Cc2ccc(F)cc2-c2cc(F)cc(CN3CCC(C)CC3)c2)CC1,OERWBRSXQBGRGO-UHFFFAOYSA-N
-rxn:4:185114:226844,O=C(CS(=O)(=O)c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1)N1CCC(C(F)(F)F)CC1,GPXUDTOTSCULFG-UHFFFAOYSA-N
-rxn:4:185115:223279,O=C(CS(=O)(=O)c1ccccc1-c1cnc(C2CCCN2)nc1)N1CCCC(C(F)(F)F)C1,GWHUAMCULNUMGH-UHFFFAOYSA-N
-rxn:4:185116:225145,N#Cc1cc(-c2ccccc2S(=O)(=O)CC(=O)N2CCC(C(F)(F)F)CC2)ccc1N1CCOCC1,NICNUYACWBZNCD-UHFFFAOYSA-N
-rxn:4:185118:226508,O=C(CS(=O)(=O)c1cccc(-c2ccc(OCC3CC3)nc2F)c1)N1CCC(C(F)(F)F)CC1,IJPLOMLIJAVXOV-UHFFFAOYSA-N
-rxn:4:185134:224720,COC(=O)C1CCN(CCc2ccc(-c3cn(C(=O)OC(C)(C)C)nc3C3CC3)cc2)CC1,ABMAXMVWZLQBAR-UHFFFAOYSA-N
-rxn:4:185143:223684,CC(C)CC(=O)N(c1ccc(-c2cc(OCc3cccnc3)ccc2OC(F)(F)F)cc1)C1C=CS(=O)(=O)C1,RKVYXBUWYSVLML-UHFFFAOYSA-N
-rxn:4:185144:222798,CCOC(=O)C1CCN(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)NC(C)(C)C)cc3C)cc2)CC1,BQQSZAZTNBSSHT-UHFFFAOYSA-N
-rxn:4:185145:224267,CCOC(=O)C1CCCN(S(=O)(=O)c2ccc(-c3cccc(N4CCC5(CC4)OCCO5)c3)cc2)C1,HUTLOYURQDIVCF-UHFFFAOYSA-N
-rxn:4:185146:226844,COc1cc(C(=O)N2CCOCC2)c(-c2ccnc(C(=O)C(F)(F)F)c2)c(OC)c1OC,KHBIALYKPLQVKN-UHFFFAOYSA-N
-rxn:4:185147:223179,CONC(=O)c1cc(-c2ccccc2S(=O)(=O)N2CC(S(=O)(=O)CC(C)C)C2)ccc1F,SCUIVEIRVMXGMF-UHFFFAOYSA-N
-rxn:4:185148:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2ccc(S(=O)(=O)C3CN(C(=O)OC(C)(C)C)C3)cc2)cc1,GUDAQONBJMEQOE-UHFFFAOYSA-N
-rxn:4:185149:224849,CC(C)(C)OC(=O)N1CC(S(=O)(=O)c2cccc(-c3cc(C4CCCC4)cc(C4CC4)c3)c2)C1,QORQMUIDJAXKFI-UHFFFAOYSA-N
-rxn:4:185154:223179,CONC(=O)c1cc(-c2ccc(C(=O)OC)c(CN3CCCC(C(F)(F)F)C3)c2)ccc1F,WDSBOETUCJAIFZ-UHFFFAOYSA-N
-rxn:4:185154:223279,COC(=O)c1ccc(-c2cnc(C3CCCN3)nc2)cc1CN1CCCC(C(F)(F)F)C1,QSVMYAJCNZAKDT-UHFFFAOYSA-N
-rxn:4:185155:223179,CONC(=O)c1cc(-c2ccc(C(=O)OC)c(CN3CCC(C(F)(F)F)CC3)c2)ccc1F,LQPKQSHUYCDDKZ-UHFFFAOYSA-N
-rxn:4:185155:223845,COC(=O)c1ccc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCN(C)CC2)cc1CN1CCC(C(F)(F)F)CC1,JDBPRCOOURGLLX-UHFFFAOYSA-N
-rxn:4:185158:223179,CONC(=O)c1cc(-c2cc(CN3CCC(C(F)(F)F)CC3)cc(C(=O)OC)c2)ccc1F,CYHVZSNJBDVMPR-UHFFFAOYSA-N
-rxn:4:185158:223279,COC(=O)c1cc(CN2CCC(C(F)(F)F)CC2)cc(-c2cnc(C3CCCN3)nc2)c1,BBHNCPBHGOYCTB-UHFFFAOYSA-N
-rxn:4:185161:223279,CC(C)(C)OC(=O)N1CC(c2ccc(C(F)(F)F)cc2-c2cnc(C3CCCN3)nc2)C1,TZZHWGJZIVXKAQ-UHFFFAOYSA-N
-rxn:4:185164:223179,CONC(=O)c1cc(-c2ccc(C3CN(C(=O)OC(C)(C)C)C3)cc2C(F)(F)F)ccc1F,FEVKRUUWWHMBFL-UHFFFAOYSA-N
-rxn:4:185210:226844,CCOc1cccc(-c2ccnc(C(=O)C(F)(F)F)c2)c1CN1CCCC(C(F)(F)F)C1,UYYPNTFRSWKPPA-UHFFFAOYSA-N
-rxn:4:185243:223179,CONC(=O)c1cc(-c2ccc(C(=O)N(CC(C)C)C3CCS(=O)(=O)C3)cc2)ccc1F,LNRQNPXEHVOLEL-UHFFFAOYSA-N
-rxn:4:185243:226844,CC(C)CN(C(=O)c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1)C1CCS(=O)(=O)C1,DCBSBXUTTPAIIT-UHFFFAOYSA-N
-rxn:4:185245:222838,CC(C)CS(=O)(=O)C1CCN(C(=O)c2ccc(-c3ccc(CNC(=O)C(C)(C)C)cc3)o2)CC1,PZUXZXXGVPGPAM-UHFFFAOYSA-N
-rxn:4:185245:224276,CC(C)CS(=O)(=O)C1CCN(C(=O)c2ccc(-c3cn(C(=O)OC(C)(C)C)c4cccnc34)o2)CC1,KAMRMAGPBGPBMU-UHFFFAOYSA-N
-rxn:4:185245:224572,CC(C)CS(=O)(=O)C1CCN(C(=O)c2ccc(-c3ccc(N4CCCC(C)C4)cc3C#N)o2)CC1,PQYVIQNBSCPFJS-UHFFFAOYSA-N
-rxn:4:185247:223179,CONC(=O)c1cc(-c2cc(OC)c(CN3CCC(C(F)(F)F)CC3)c(OC)c2)ccc1F,ACRRRJLXZRFFRL-UHFFFAOYSA-N
-rxn:4:185247:223279,COc1cc(-c2cnc(C3CCCN3)nc2)cc(OC)c1CN1CCC(C(F)(F)F)CC1,HDGINXPNIMSTBO-UHFFFAOYSA-N
-rxn:4:185249:226844,COc1cc(-c2ccnc(C(=O)C(F)(F)F)c2)cc(OC)c1CN1CCCCC1C(F)(F)F,UZKWGUPAUHIFOG-UHFFFAOYSA-N
-rxn:4:185255:222630,COc1ccccc1C(=O)N(c1ccc(-c2cc(C3CCC3)nc(C3CCNCC3)c2)cc1)C1C=CS(=O)(=O)C1,CQIBEEUQKUHPSN-UHFFFAOYSA-N
-rxn:4:185261:224076,CCN(C(=O)c1cc(OC)ccc1-c1ccc2c(ccn2[Si](C)(C)C(C)(C)C)c1)C1CCCCC1,PQGXZULLHXZQAF-UHFFFAOYSA-N
-rxn:4:185264:223179,CONC(=O)c1cc(-c2ccc(C3CN(CC(=O)OC(C)(C)C)C(=O)CO3)cc2)ccc1F,IVIQZRVQHWPCLY-UHFFFAOYSA-N
-rxn:4:185269:226844,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2)(C(F)(F)F)C1,FMZVBUMCCUMVIE-UHFFFAOYSA-N
-rxn:4:185270:225523,CCOC(=O)CCc1cccc(-c2ccc(C3CCN(C(=O)OC(C)(C)C)C3)c(C(F)(F)F)c2)c1,QHQMMAOOELXTFR-UHFFFAOYSA-N
-rxn:4:185271:223279,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3cnc(C4CCCN4)nc3)cc2Cl)(C(F)(F)F)C1,LNRUFYLYZJMAGF-UHFFFAOYSA-N
-rxn:4:185276:225310,Cc1ccc(CN(C(=O)c2ccccc2-c2cc(C(F)(F)F)c(Cl)cc2C2CC2)C2CCS(=O)(=O)C2)o1,IUVJEWFDOKCZJU-UHFFFAOYSA-N
-rxn:4:185289:224420,Cc1cc2c(cc1-c1cccc(CN(C(=O)c3ccccc3F)C3CCS(=O)(=O)C3)c1)C(C)(C)CCC2(C)C,YEOKPNZHXKHDRM-UHFFFAOYSA-N
-rxn:4:185302:226844,CCN(C1CCCCC1)S(=O)(=O)c1cc(-c2ccnc(C(=O)C(F)(F)F)c2)ccc1OC,YWYNIZKUQBWNNX-UHFFFAOYSA-N
-rxn:4:185305:226844,CCOc1cc(S(=O)(=O)N2CCCCC2CC)ccc1-c1ccnc(C(=O)C(F)(F)F)c1,QIGOFBYWOAHSSQ-UHFFFAOYSA-N
-rxn:4:185308:224835,CN(C)S(=O)(=O)n1nc(C(F)(F)F)cc1-c1ccc(OC2CCN(C(=O)OC(C)(C)C)CC2)cc1,NMXYQQROPTZIHH-UHFFFAOYSA-N
-rxn:4:185311:223179,CCN(c1cc(-c2ccc(F)c(C(=O)NOC)c2)cc(C(=O)OC)c1C)C1CCOCC1,BCAPHSSUKOJEOS-UHFFFAOYSA-N
-rxn:4:185313:223179,CONC(=O)c1cc(-c2ccccc2OC2CCN(C(=O)OC(C)(C)C)CC2)ccc1F,WTPIAGJSRDJVDA-UHFFFAOYSA-N
-rxn:4:185315:226766,Cc1ccc(OC(F)(F)F)c(-c2ccc(C3CC3)c(C3CN(C(=O)OC(C)(C)C)C3)c2)c1,JMWHINHKDUBOKK-UHFFFAOYSA-N
-rxn:4:185316:225553,CC(C)N(C)C(=O)c1ccc(-c2ccc(C3CN(C(=O)OC(C)(C)C)C3)cc2C2CC2)cc1,YKZWTSGEYLSONP-UHFFFAOYSA-N
-rxn:4:185317:226844,CC(C)(C)OC(=O)N1CC(c2ccc(C3CC3)c(-c3ccnc(C(=O)C(F)(F)F)c3)c2)C1,LIZHZAOMXOVVTC-UHFFFAOYSA-N
-rxn:4:185319:223179,CONC(=O)c1cc(-c2ccc(C3CN(C(=O)OC(C)(C)C)C3)c(C3CC3)c2)ccc1F,BEFFRPYUZYPBAT-UHFFFAOYSA-N
-rxn:4:185319:226844,CC(C)(C)OC(=O)N1CC(c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2C2CC2)C1,YQZFPISRFJFAMI-UHFFFAOYSA-N
-rxn:4:185321:225269,COC(=O)c1ccc(-c2cc(OC3CCN(C(=O)OC(C)(C)C)CC3)ccc2Cl)c(C(=O)OC)c1,IVNNYPNLRPKPOB-UHFFFAOYSA-N
-rxn:4:185322:226844,CC(C)(C)OC(=O)N1CCC(Oc2cc(-c3ccnc(C(=O)C(F)(F)F)c3)ccc2Cl)CC1,LSPOYCKVHYZBHR-UHFFFAOYSA-N
-rxn:4:185324:223279,CC(C)(C)OC(=O)N1CCC(Oc2cc(F)cc(-c3cnc(C4CCCN4)nc3)c2)CC1,PHVFPKCQUIPADX-UHFFFAOYSA-N
-rxn:4:185325:223179,CONC(=O)c1cc(-c2cccc(OC(C)C)c2CN2CCCC(C(F)(F)F)C2)ccc1F,TWBPZUSVLQIAPR-UHFFFAOYSA-N
-rxn:4:185325:226844,CC(C)Oc1cccc(-c2ccnc(C(=O)C(F)(F)F)c2)c1CN1CCCC(C(F)(F)F)C1,SQKPVKDGQVHYTF-UHFFFAOYSA-N
-rxn:4:185326:223885,CC(C)Oc1cccc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3)c1CN1CCC(C(F)(F)F)CC1,GMUGEEAXENIOBD-UHFFFAOYSA-N
-rxn:4:185332:223070,CCc1ccccc1N(C(=O)c1ccc(-c2csc(NC(=O)OC(C)(C)C)c2)cc1)C1C=CS(=O)(=O)C1,ZTMMLQODSYVNSO-UHFFFAOYSA-N
-rxn:4:185334:225306,COc1ccc(S(=O)(=O)N2CCSC2c2cc(-c3c(OC)cc(F)c([Si](C)(C)C)c3F)ccc2OC)cc1,ZFXDCVYMIMAPJB-UHFFFAOYSA-N
-rxn:4:185348:223179,CCCOc1cc(S(=O)(=O)N2CC(C)OC(C)C2)ccc1-c1ccc(F)c(C(=O)NOC)c1,IUGPVDLFMGNESD-UHFFFAOYSA-N
-rxn:4:185348:225537,CCCOc1cc(S(=O)(=O)N2CC(C)OC(C)C2)ccc1-c1cc(CN(CC)CC)ccc1F,OUHSYUZZYLKVRA-UHFFFAOYSA-N
-rxn:4:185350:223179,CONC(=O)c1cc(-c2cccc(C(=O)N3CCC(S(=O)(=O)CC(C)C)CC3)c2)ccc1F,LWAYZAISFJJJLZ-UHFFFAOYSA-N
-rxn:4:185353:222868,CC(C)(C)OC(=O)Nc1ccccc1-c1ccc(CC(=O)N2CCC(S(=O)(=O)C(C)(C)C)C2)cc1,POJSHGRMRJPSAO-UHFFFAOYSA-N
-rxn:4:185353:226589,CC(C)c1cnc(C(F)F)cc1-c1ccc(CC(=O)N2CCC(S(=O)(=O)C(C)(C)C)C2)cc1,XYEZLTJQPPTSDB-UHFFFAOYSA-N
-rxn:4:185353:226917,Cc1cc(-c2ccc(CC(=O)N3CCC(S(=O)(=O)C(C)(C)C)C3)cc2)cc(C(C)(C)C)c1,VBHQJVRCRRNTEC-UHFFFAOYSA-N
-rxn:4:185354:224459,CC(C)(C)OC(=O)N1CCC(C(=O)c2ccccc2-c2ccc(N3CCCC3)c(C(C)(C)C)c2)CC1,QKGJOEOAQDORPB-UHFFFAOYSA-N
-rxn:4:185354:226844,CC(C)(C)OC(=O)N1CCC(C(=O)c2ccccc2-c2ccnc(C(=O)C(F)(F)F)c2)CC1,HJJUCDNHIQCXOM-UHFFFAOYSA-N
-rxn:4:185355:226844,CC(C)(C)OC(=O)N1CCC(C(=O)c2cccc(-c3ccnc(C(=O)C(F)(F)F)c3)c2)CC1,XLPFVNFLCAFSCL-UHFFFAOYSA-N
-rxn:4:185356:223279,CC(C)(C)OC(=O)N1CCC(C(=O)c2cc(-c3cnc(C4CCCN4)nc3)ccc2F)CC1,JZYRSRHAWMBGNN-UHFFFAOYSA-N
-rxn:4:185358:223279,CC(C)(C)OC(=O)N1CCC(C(=O)c2cccc(-c3cnc(C4CCCN4)nc3)c2F)CC1,CZCJWWYSUWFEEV-UHFFFAOYSA-N
-rxn:4:185358:226844,CC(C)(C)OC(=O)N1CCC(C(=O)c2cccc(-c3ccnc(C(=O)C(F)(F)F)c3)c2F)CC1,ZJZLOERITCDTGB-UHFFFAOYSA-N
-rxn:4:185367:223179,CONC(=O)c1cc(-c2cc(C(C)C)ccc2OCC(=O)N2CCC(C)CC2)ccc1F,CYVULBFJQACJCT-UHFFFAOYSA-N
-rxn:4:185368:223179,CONC(=O)c1cc(-c2ccc(OCC(=O)N3CCCCC3)c(C(C)(C)C)c2)ccc1F,IUUOWFKNTRBPEK-UHFFFAOYSA-N
-rxn:4:185369:223163,CCNC(=O)c1cccc(-c2cccc(C(=O)N3CCCCC3CSC(C)(C)C)c2)c1F,FSBLFXOIHDMLQE-UHFFFAOYSA-N
-rxn:4:185369:226844,CC(C)(C)SCC1CCCCN1C(=O)c1cccc(-c2ccnc(C(=O)C(F)(F)F)c2)c1,APYGVFNSGWKCIM-UHFFFAOYSA-N
-rxn:4:185372:223179,CCOC(=O)C1CCN(S(=O)(=O)c2cc(C)c(C)cc2-c2ccc(F)c(C(=O)NOC)c2)CC1,JJHRLXORQOKVBO-UHFFFAOYSA-N
-rxn:4:185372:224821,CCOC(=O)C1CCN(S(=O)(=O)c2cc(C)c(C)cc2-c2ccc(F)c(S(=O)(=O)N3CCCC3)c2)CC1,HKZAXCQCHHTUSL-UHFFFAOYSA-N
-rxn:4:185373:223179,CCOC(=O)C1CCN(S(=O)(=O)c2cc(-c3ccc(F)c(C(=O)NOC)c3)c(C)cc2C)CC1,YFDRAZMEOUOODH-UHFFFAOYSA-N
-rxn:4:185375:226844,CC(C)CS(=O)(=O)C1CCN(S(=O)(=O)c2ccccc2-c2ccnc(C(=O)C(F)(F)F)c2)CC1,ALGHXWYUMYUHMX-UHFFFAOYSA-N
-rxn:4:185375:227699,COc1cc(-c2ccccc2S(=O)(=O)N2CCC(S(=O)(=O)CC(C)C)CC2)c(Cl)c(OC)n1,AOVKVONTCSQRIK-UHFFFAOYSA-N
-rxn:4:185376:223179,CONC(=O)c1cc(-c2ccccc2S(=O)(=O)N2CCCC(S(=O)(=O)CC(C)C)C2)ccc1F,LVNFYLHKDBYECF-UHFFFAOYSA-N
-rxn:4:185378:223179,CONC(=O)c1cc(-c2cccc(S(=O)(=O)C3CCN(C(=O)OC(C)(C)C)CC3)c2)ccc1F,CJRUCJSITNLFPB-UHFFFAOYSA-N
-rxn:4:185378:226844,CC(C)(C)OC(=O)N1CCC(S(=O)(=O)c2cccc(-c3ccnc(C(=O)C(F)(F)F)c3)c2)CC1,SSLRPPMGVBXCRP-UHFFFAOYSA-N
-rxn:4:185380:223179,CONC(=O)c1cc(-c2ccc(C3(C(F)(F)F)CCN(C(=O)OC(C)(C)C)CC3)cc2)ccc1F,NHQLGXBNAACOFN-UHFFFAOYSA-N
-rxn:4:185380:228088,CCCSc1ccc(-c2ccc(C3(C(F)(F)F)CCN(C(=O)OC(C)(C)C)CC3)cc2)cn1,OBYGIOMNAIMIFJ-UHFFFAOYSA-N
-rxn:4:185381:223179,CONC(=O)c1cc(-c2cc(C3CCCN(C(=O)OC(C)(C)C)C3)cc(C(F)(F)F)c2)ccc1F,JPSBBBPPVSYGHF-UHFFFAOYSA-N
-rxn:4:185381:226844,CC(C)(C)OC(=O)N1CCCC(c2cc(-c3ccnc(C(=O)C(F)(F)F)c3)cc(C(F)(F)F)c2)C1,BXHJXLVCFDOPHJ-UHFFFAOYSA-N
-rxn:4:185382:225105,CCN(CC)C(=O)c1ccc(-c2ccc(C(F)(F)F)c(C3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1F,GYQJQXXDISMVAK-UHFFFAOYSA-N
-rxn:4:185384:223279,CC(C)(C)OC(=O)N1CCCC(c2cc(C(F)(F)F)ccc2-c2cnc(C3CCCN3)nc2)C1,KZNWTBSSYLUBOF-UHFFFAOYSA-N
-rxn:4:185385:223179,CONC(=O)c1cc(-c2cc(C3CCN(C(=O)OC(C)(C)C)CC3)ccc2C(F)(F)F)ccc1F,WJZJVDFAPTULRW-UHFFFAOYSA-N
-rxn:4:185386:226844,CC(C)(C)OC(=O)N1CCCC(c2ccc(C(F)(F)F)c(-c3ccnc(C(=O)C(F)(F)F)c3)c2)C1,WLJLHTGBTQNLPZ-UHFFFAOYSA-N
-rxn:4:185387:226224,CCOCCOc1ccc(-c2ccc(C3CCN(C(=O)OC(C)(C)C)CC3)c(C(F)(F)F)c2)cc1,BOBSJVWIZXQXPN-UHFFFAOYSA-N
-rxn:4:185401:223179,CCCOc1cc(S(=O)(=O)N2CC(C)CC(C)C2)ccc1-c1ccc(F)c(C(=O)NOC)c1,BACQDRNLIZPSNZ-UHFFFAOYSA-N
-rxn:4:185401:226844,CCCOc1cc(S(=O)(=O)N2CC(C)CC(C)C2)ccc1-c1ccnc(C(=O)C(F)(F)F)c1,PXWCGKAAADAADS-UHFFFAOYSA-N
-rxn:4:185402:222776,CCCOc1ccc(-c2ccc(CN3CCC(O)CC3)cc2F)cc1S(=O)(=O)N1CC(C)CC(C)C1,MCRTZQGWPWYSRK-UHFFFAOYSA-N
-rxn:4:185402:226844,CCCOc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1S(=O)(=O)N1CC(C)CC(C)C1,ISDGPSKBKYQBAU-UHFFFAOYSA-N
-rxn:4:185403:224826,CCOC(=O)c1cc(-c2cc(OC)cc(C3CCCN(C(=O)OC(C)(C)C)C3)c2)cnc1C(F)(F)F,OUJFQCGHEPPANV-UHFFFAOYSA-N
-rxn:4:185404:223279,CC(C)(C)OC(=O)N1CCC(c2cc(C3CC3)ccc2-c2cnc(C3CCCN3)nc2)C1,JPLAPPYVYNCAPD-UHFFFAOYSA-N
-rxn:4:185404:226844,CC(C)(C)OC(=O)N1CCC(c2cc(C3CC3)ccc2-c2ccnc(C(=O)C(F)(F)F)c2)C1,KJCJZTKSXUEINA-UHFFFAOYSA-N
-rxn:4:185406:226844,COc1cc(-c2ccnc(C(=O)C(F)(F)F)c2)cc(C2CCN(C(=O)OC(C)(C)C)CC2)c1,OWFDGBQKSQFJCH-UHFFFAOYSA-N
-rxn:4:185407:226844,COc1ccc(C2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccnc(C(=O)C(F)(F)F)c1,UCDLWJZOZPNDPH-UHFFFAOYSA-N
-rxn:4:185409:226844,CC(C)(C)OC(=O)N1CCC(c2cc(-c3ccnc(C(=O)C(F)(F)F)c3)cc(C3CC3)c2)C1,XBQFWDYDEVCNJD-UHFFFAOYSA-N
-rxn:4:185411:223179,CONC(=O)c1cc(-c2ccc(C3CCN(C(=O)OC(C)(C)C)C3)c(C3CC3)c2)ccc1F,DZWNVKLHAILTIV-UHFFFAOYSA-N
-rxn:4:185411:223279,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3cnc(C4CCCN4)nc3)cc2C2CC2)C1,KSPUPPKGLDDMDS-UHFFFAOYSA-N
-rxn:4:185413:226844,COc1ccc(C2CCCN(C(=O)OC(C)(C)C)C2)cc1-c1ccnc(C(=O)C(F)(F)F)c1,ANLNLISZWIRYQM-UHFFFAOYSA-N
-rxn:4:185414:223179,CONC(=O)c1cc(-c2cc(Cl)cc(C)c2OC2CCN(C(=O)OC(C)(C)C)CC2)ccc1F,QYZWFESUEQZKSQ-UHFFFAOYSA-N
-rxn:4:185419:222556,COc1ccccc1NC(=O)c1cccc(-c2cc(C3CN(C(=O)OC(C)(C)C)CCO3)ccc2C2CC2)c1,NMGTVSAADXZERZ-UHFFFAOYSA-N
-rxn:4:185419:223179,CONC(=O)c1cc(-c2cc(C3CN(C(=O)OC(C)(C)C)CCO3)ccc2C2CC2)ccc1F,RKZMRTZVNJNRLJ-UHFFFAOYSA-N
-rxn:4:185419:223279,CC(C)(C)OC(=O)N1CCOC(c2ccc(C3CC3)c(-c3cnc(C4CCCN4)nc3)c2)C1,IZQSQDIBPSVWFB-UHFFFAOYSA-N
-rxn:4:185420:226844,CC(C)(C)OC(=O)N1CCOC(c2cc(C3CC3)ccc2-c2ccnc(C(=O)C(F)(F)F)c2)C1,QUMVNMYSUNHSHY-UHFFFAOYSA-N
-rxn:4:185423:223179,CONC(=O)c1cc(-c2cc(C3CC3)cc(C3CN(C(=O)OC(C)(C)C)CCO3)c2)ccc1F,YOVQUSWFRLPXLK-UHFFFAOYSA-N
-rxn:4:185424:226844,CC(C)(C)OC(=O)N1CCOC(c2ccc(C3CC3)cc2-c2ccnc(C(=O)C(F)(F)F)c2)C1,UMHRWSCDBBCKDG-UHFFFAOYSA-N
-rxn:4:185428:223179,CONC(=O)c1cc(-c2cc(C(C)(C)C)ccc2OCC(=O)N2CCC(C)CC2)ccc1F,TVVVWMDSIORCBY-UHFFFAOYSA-N
-rxn:4:185430:223279,CC1CN(C(=O)OC(C)(C)C)CCC1c1cc(-c2cnc(C3CCCN3)nc2)cc(C(F)(F)F)c1,QVCBGGKGZMPYRC-UHFFFAOYSA-N
-rxn:4:185432:223179,CONC(=O)c1cc(-c2c(C)cc(OC3CCN(C(=O)OC(C)(C)C)CC3)cc2C)ccc1F,IZLIRARUWRQCJN-UHFFFAOYSA-N
-rxn:4:185433:223179,CONC(=O)c1cc(-c2cc(C3CC3)cc(C3CCN(C(=O)OC(C)(C)C)CC3)c2)ccc1F,REGAGYJXVISYMF-UHFFFAOYSA-N
-rxn:4:185437:223279,CC(C)(C)[Si](C)(C)OC1CCN(Cc2cc(F)ccc2-c2cnc(C3CCCN3)nc2)CC1,HFCUFCYAJBYXHH-UHFFFAOYSA-N
-rxn:4:185438:224742,COc1cc(OC)c(C2OCCO2)cc1-c1ccc(S(=O)(=O)N2CCC(O[Si](C)(C)C(C)(C)C)CC2)cc1,NEDGHETZSJRDCR-UHFFFAOYSA-N
-rxn:4:185441:223179,CONC(=O)c1cc(-c2ccc(C3(c4ccc(Cl)cc4)CCN(C(=O)OC(C)(C)C)CC3)cc2)ccc1F,HWRSMETWMBAKIW-UHFFFAOYSA-N
-rxn:4:185493:224614,COC(=O)c1ccc2c(-c3ccc(N(C)C(=O)OC(C)(C)C)cc3)cn(C(=O)OC(C)(C)C)c2c1,QEANMMOXVRDNML-UHFFFAOYSA-N
-rxn:4:185534:226844,COC(=O)C1CN(C(=O)OC(C)(C)C)Cc2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc21,FABKEZILMIPMNZ-UHFFFAOYSA-N
-rxn:4:185538:224172,Cc1cccc(OCCCN2C(=O)C(=O)c3cc(-c4cccc(CN(C)C(=O)OC(C)(C)C)c4)cc(C)c32)c1,ITNLYJSEQBDMNX-UHFFFAOYSA-N
-rxn:4:185546:226844,COC(=O)c1cc(-c2ccnc(C(=O)C(F)(F)F)c2)cc2c1OCCN(C(=O)OC(C)(C)C)C2,BAJFKJIMZLYJFX-UHFFFAOYSA-N
-rxn:4:185567:223179,CONC(=O)c1cc(-c2ccccc2CCC(=O)N2C3CCC2CC(S(C)(=O)=O)C3)ccc1F,QFFYUPRFFSUGBN-UHFFFAOYSA-N
-rxn:4:185567:223279,CS(=O)(=O)C1CC2CCC(C1)N2C(=O)CCc1ccccc1-c1cnc(C2CCCN2)nc1,VLQWKVKMCBBYDA-UHFFFAOYSA-N
-rxn:4:185571:223179,CONC(=O)c1cc(-c2ccc(CN(C(=O)C3COc4ccccc4O3)C3CCS(=O)(=O)C3)o2)ccc1F,PVXQCGODJCGMFQ-UHFFFAOYSA-N
-rxn:4:185580:222745,CCN(C(=O)c1cc2cc(-c3cccc(CNC(=O)OC(C)(C)C)c3)cc(OC)c2oc1=O)C1CCCCC1,ICHKDLAMZASYGR-UHFFFAOYSA-N
-rxn:4:185589:223179,CONC(=O)c1cc(-c2ccc(OC)c(C=C3Oc4cc(OC(=O)N5CCOCC5)ccc4C3=O)c2)ccc1F,JKFHBJURVSFMFM-UHFFFAOYSA-N
-rxn:4:185589:226844,COc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1C=C1Oc2cc(OC(=O)N3CCOCC3)ccc2C1=O,MKRDTKJPYZEYPZ-UHFFFAOYSA-N
-rxn:4:185600:222648,Cc1cc(C)c(-c2ccc3oc(C(=O)N(Cc4ccccc4F)C4CCS(=O)(=O)C4)c(C)c3c2)cc1NC(=O)OC(C)(C)C,XLBYJUXDFPERIV-UHFFFAOYSA-N
-rxn:4:185614:223279,COc1ccc(CCC(=O)N2CCCC3(C2)OC(=O)c2ccccc23)cc1-c1cnc(C2CCCN2)nc1,WMOBDVVAGARRBY-UHFFFAOYSA-N
-rxn:4:185626:223279,CC(C)(C)OC(=O)N1CCC[C@H]1[C@@]1(c2ccccc2)Cc2c(cc(F)cc2-c2cnc(C3CCCN3)nc2)O1,VLLWPUDRDJCIRH-WTIDLABQSA-N
-rxn:4:185628:223179,CONC(=O)c1cc(-c2cccc(CN(C(=O)c3oc4cc(C)c(C)cc4c3C)C3CCS(=O)(=O)C3)c2)ccc1F,PAZLVKKPWFPOGJ-UHFFFAOYSA-N
-rxn:4:185644:226844,COC(=O)c1ccc(C2c3c(oc4ccc(-c5ccnc(C(=O)C(F)(F)F)c5)cc4c3=O)C(=O)N2CC2CCCO2)cc1,HFIAKOFTZIKPHB-UHFFFAOYSA-N
-rxn:4:185648:223179,CONC(=O)c1cc(-c2ccc(S(=O)(=O)N(C(=O)C3CCCCC3)c3ccc4oc5c(c4c3)CCCC5)cc2)ccc1F,NWBFIVHPXQNEQY-UHFFFAOYSA-N
-rxn:4:185648:226844,O=C(C1CCCCC1)N(c1ccc2oc3c(c2c1)CCCC3)S(=O)(=O)c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1,AIZXDGMHIYAKET-UHFFFAOYSA-N
-rxn:4:185648:227407,CC(C)(C)c1ncc(Cl)cc1-c1ccc(S(=O)(=O)N(C(=O)C2CCCCC2)c2ccc3oc4c(c3c2)CCCC4)cc1,HYKHHZKRIVVXGO-UHFFFAOYSA-N
-rxn:4:185648:228189,CCSc1ccc(F)c(-c2ccc(S(=O)(=O)N(C(=O)C3CCCCC3)c3ccc4oc5c(c4c3)CCCC5)cc2)c1,VWACYFKLBJTINW-UHFFFAOYSA-N
-rxn:4:185735:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3cc([N+](=O)[O-])ccc3OCC(F)(F)F)c2)CC1,XPXFTLXFQOGZGS-UHFFFAOYSA-N
-rxn:4:185737:223946,CCN(C(=O)OC(C)(C)C)c1ccc(-c2cc([N+](=O)[O-])cc(F)c2OCC(F)F)c(Cl)c1,FSSFLNOKDBCDPA-UHFFFAOYSA-N
-rxn:4:185752:223976,FC(F)(F)Oc1cc(OC2CCCC2)cc(-c2ccc(OC(C(F)(F)F)C(F)(F)F)nc2)c1,NZHLMRPECACWGZ-UHFFFAOYSA-N
-rxn:4:185917:223525,COC(=O)c1cc(C#N)c(-c2cccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)c(C(F)(F)F)c1,YHUGYPLPXRHJPZ-UHFFFAOYSA-N
-rxn:4:186119:222589,CC(F)(F)COc1ccc(-c2ccc(OCCN3CCC(O)CC3)c(Cl)c2)c([N+](=O)[O-])c1,BRHGYWFQEYBLFL-UHFFFAOYSA-N
-rxn:4:186267:223542,CON(C)C(=O)Cc1ccccc1-c1ccc(OC(F)(F)F)c(S(=O)(=O)N2CCN(C)CC2)c1,IJFLNMYPLDWSCU-UHFFFAOYSA-N
-rxn:4:186274:223523,CCOC(=O)c1cc(-c2ccc(S(=O)(=O)N3CCN(CC)CC3)c3ccccc23)c(C)c([N+](=O)[O-])c1,NICQJALZNCJBDN-UHFFFAOYSA-N
-rxn:4:186296:224788,CCCCOc1ncc(C(F)(F)F)cc1-c1ccc(C(F)(F)F)c(C(=O)N(C)OC)c1F,DBQOTFZBISOFRP-UHFFFAOYSA-N
-rxn:4:186535:223835,Cc1cc(F)c(-c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)cc1S(=O)(=O)N1CCC(C)CC1,WOPXIRANHUHUCG-UHFFFAOYSA-N
-rxn:4:186539:223785,CCN1CCN(CCOc2ccc(-c3ccc([N+](=O)[O-])c(Oc4cccc(C(F)(F)F)c4)c3)cc2Cl)CC1,DADWQJKZELYHQT-UHFFFAOYSA-N
-rxn:4:186542:226844,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccnc(C(=O)C(F)(F)F)c2)ccc1C(F)(F)F,RDRGGWDLJBFFNG-UHFFFAOYSA-N
-rxn:4:186544:226844,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)c(C(F)(F)F)c1,LGGHLXDUEYPXOG-UHFFFAOYSA-N
-rxn:4:186597:223533,CCOC(=O)c1cc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)cc2F)cnc1C(C)C,JCZKHCCGPGXQHY-UHFFFAOYSA-N
-rxn:4:186669:223687,Cc1cc(-c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2)ccc1OCCN(C)C,FKZBVMGDGCHBOC-UHFFFAOYSA-N
-rxn:4:186736:222634,COC(=O)c1ccc(-c2ccc(OCCNC3CCCC3)c(F)c2)c(CN2CC(F)(F)C2)c1,MCAPXEVVCQKUIP-UHFFFAOYSA-N
-rxn:4:186751:222774,O=C(N(c1ccc(-c2ccc(F)c(CN3CCC(O)CC3)c2)cc1)C1C=CS(=O)(=O)C1)C(F)(F)F,CSYMGLWAIFQMBR-UHFFFAOYSA-N
-rxn:4:186900:224731,COC(=O)C1CCCN1C(=O)c1ccc(-c2cccc(S(=O)(=O)OCC(C)(C)C)c2)cc1Cl,LWYIXKKERUAPNP-UHFFFAOYSA-N
-rxn:4:186922:223179,CONC(=O)c1cc(-c2ccc(S(=O)(=O)N3CCOCC3)c(OC(F)(F)F)c2)ccc1F,FSEPCKOLAYXUEM-UHFFFAOYSA-N
-rxn:4:186922:226844,O=C(c1cc(-c2ccc(S(=O)(=O)N3CCOCC3)c(OC(F)(F)F)c2)ccn1)C(F)(F)F,ILCYMZDMSYHQSP-UHFFFAOYSA-N
-rxn:4:186943:224258,CCOC(=O)c1ccc(N2CCCC2)c(-c2ccc(C(=O)N3CCCCC3C)cc2Cl)c1,LQFMVZYTYSXOOC-UHFFFAOYSA-N
-rxn:4:186970:222700,COC[C@@H]1CCCN1C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2C2CCCNC2)cc1,UDRFRLOTVJZDLK-QWAKEFERSA-N
-rxn:4:187004:224288,CN(C(=O)OC(C)(C)C)c1ccc(-c2ccc(OCC(=O)N3CCC(F)(F)CC3)cc2)c(Cl)c1,YDIYNIGWFYQUDZ-UHFFFAOYSA-N
-rxn:4:187026:223155,CCNC(=O)c1cc(Cl)cc(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCC(=O)CC3)c2)c1,XJZAPQONGIEUPL-UHFFFAOYSA-N
-rxn:4:187039:223582,CCN(C(=O)c1ccc(-c2cc3ccc(C(=O)OC)cc3n2C(=O)OC(C)(C)C)c(C)c1)C(C)C,GSZUFZCVZDSTRT-UHFFFAOYSA-N
-rxn:4:187043:222466,c1cc(CCCN2CCOCC2)cc(-c2cc(C3CCCCC3)nc(C3CCNCC3)c2)c1,MLRAGRJZOZIHNH-UHFFFAOYSA-N
-rxn:4:187068:223649,COC(=O)c1cc(-c2cccc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)ccc1CN1CCOCC1,RISOHGHNBDAFRU-UHFFFAOYSA-N
-rxn:4:187091:224189,COc1cc(-c2ccc(C(=O)C3CCN(C(=O)C(F)(F)F)CC3)cc2)ccc1O[Si](C)(C)C(C)(C)C,CSIIQFXCDDJVDJ-UHFFFAOYSA-N
-rxn:4:187092:223179,CONC(=O)c1cc(-c2cc(CN3CCC(F)(F)CC3)ccc2OC(F)(F)F)ccc1F,FBGJKUBQRSSAHF-UHFFFAOYSA-N
-rxn:4:187107:223608,Cc1cc(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCOCC3)c2)ccc1OCCN1CCOCC1,PQQDQRMCXWBDJB-UHFFFAOYSA-N
-rxn:4:187121:225007,CCN(C(=O)c1ccc(-c2cccc(CN3CCCCC3)c2F)cc1)C1CCS(=O)(=O)C1,RQKYHRLVKXIEAE-UHFFFAOYSA-N
-rxn:4:187123:222923,CCOc1cc(-c2ccc(C)c(S(=O)(=O)NC3CC3)c2)ccc1S(=O)(=O)N1CCOCC1,CIDBCIRHHGTABU-UHFFFAOYSA-N
-rxn:4:187148:222705,O=C(Cc1ccc(-c2cc(C3CCNCC3)cc(C(F)(F)F)c2)c(F)c1)N1CCCC(C(F)(F)F)C1,CDVZJTHCXBXITH-UHFFFAOYSA-N
-rxn:4:187156:226844,O=C(CS(=O)(=O)c1ccccc1-c1ccnc(C(=O)C(F)(F)F)c1)N1CCC(F)(F)CC1,KISFTURZNRFWPG-UHFFFAOYSA-N
-rxn:4:187167:223568,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(Cl)c(-c3ncccc3CO[Si](C)(C)C(C)(C)C)cnc21,IIBSXBMLJCEGFR-UHFFFAOYSA-N
-rxn:4:187187:224607,COC(=O)c1cc(-c2ccc(C(=O)OCC[Si](C)(C)C)cc2)ccc1CN1CCCCC1,DTBFJDRBPVVRKE-UHFFFAOYSA-N
-rxn:4:187209:224008,COC(=O)C1CCN(Cc2ccc(-c3cc(C(=O)N4CCOCC4)cc([N+](=O)[O-])c3)cc2F)CC1,FQMLXEZVDDZXFV-UHFFFAOYSA-N
-rxn:4:187212:222918,CC(C)(C)NS(=O)(=O)c1cccc(-c2ccc(C3CN(C(=O)OC(C)(C)C)C3)cc2F)c1,MEDXVSTUBFDROD-UHFFFAOYSA-N
-rxn:4:187212:225294,CCN1CCN(c2ncc(-c3ccc(C4CN(C(=O)OC(C)(C)C)C4)cc3F)cn2)CC1,SLGMKBCTOXYUBR-UHFFFAOYSA-N
-rxn:4:187214:224415,CC(C)(C)OC(=O)N1CC(c2cc(F)cc(-c3ccnc(C(F)(F)C(F)(F)C(F)(F)F)c3)c2)C1,NTFRAKFXTHBMRK-UHFFFAOYSA-N
-rxn:4:187247:225345,COC(=O)c1cc(CN2CCC(F)(F)CC2)cc(-c2cc(S(=O)(=O)N(C)C)ccc2OC)c1,GKULPGNPUCGJQH-UHFFFAOYSA-N
-rxn:4:187267:223179,CONC(=O)c1cc(-c2cc(C(=O)N3CCC(C(F)(F)F)CC3)cc(Cl)c2OC)ccc1F,GLNPETJGEFOBTA-UHFFFAOYSA-N
-rxn:4:187317:224592,COc1ccc(-c2cc(C3(C#N)CCCCC3)ccc2F)c(OC)c1C(=O)N1CCCCC1,IQXVTCNJSZGKEI-UHFFFAOYSA-N
-rxn:4:187328:223179,CONC(=O)c1cc(-c2ccc(C3COS(=O)(=O)N3C(=O)OC(C)(C)C)cc2)ccc1F,PBQQENSZHGIJJZ-UHFFFAOYSA-N
-rxn:4:187417:222918,CC(C)(C)NS(=O)(=O)c1cccc(-c2ccccc2C2CCN(C(=O)OC(C)(C)C)C2)c1,FIFNWIPZUVYFMA-UHFFFAOYSA-N
-rxn:4:187428:224585,COC(=O)c1cc(-c2ccc(C(=O)N3CCC(C)CC3)cc2)ccc1CN1CCCCC1C,JYHMJDWFFJIJOB-UHFFFAOYSA-N
-rxn:4:187443:224078,CC1CCCC(C)N1C(=O)COc1ccc(-c2cccc3c2ccn3[Si](C)(C)C(C)(C)C)cc1Cl,CSTHIKQNAMACBY-UHFFFAOYSA-N
-rxn:4:187462:223957,COc1ccc(S(=O)(=O)N2CCSC2c2ccc(-c3cc(F)c(CO[Si](C)(C)C(C)(C)C)c(F)c3)cc2)cc1,PTNVFGKAKHKSGS-UHFFFAOYSA-N
-rxn:4:187487:225428,CCCCC(=O)c1ccc(-c2ccc(OC)c(S(=O)(=O)N3CCCCC3CC)c2)c(C)c1,PLCRNRWFNMRCQV-UHFFFAOYSA-N
-rxn:4:187488:223998,CCOc1ccc(-c2ccc(S(=O)(=O)N3CCC(C)CC3)c(F)c2)cc1S(=O)(=O)N1CCC(C)CC1,PXRMVJDVOJBJOC-UHFFFAOYSA-N
-rxn:4:187495:222922,CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(C2=CCN(C(=O)OC(C)(C)C)CC2)cc1,IDPRGGNBTMNLOT-UHFFFAOYSA-N
-rxn:4:187505:226844,CC(C)(C)OC(=O)N1CCOC(c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2Cl)C1,QIFWKVBGEMBPTC-UHFFFAOYSA-N
-rxn:4:187506:226844,CC(C)(C)OC(=O)N1CCOC(c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)c(F)c2)C1,CLWXGLCAMUDMRR-UHFFFAOYSA-N
-rxn:4:187513:223886,CC(C)(C)OC(=O)N1CCc2c(cccc2-c2cccc(C(=O)c3cccc(CN4CCOCC4)c3)c2)C1,OBUCCLWTISVCCO-UHFFFAOYSA-N
-rxn:4:187543:224458,COc1cc(-c2ccc(C(C)N3CCC(C)CC3)cc2)cc(OC)c1CN1CCCC(C)C1,SPMPRVJVZQHOMF-UHFFFAOYSA-N
-rxn:4:187543:224778,COc1cc(-c2c(F)cc(OC3CCOCC3)cc2F)cc(OC)c1CN1CCCC(C)C1,KAQSDGYDRCBOLB-UHFFFAOYSA-N
-rxn:4:187544:225319,COc1cc(-c2cc(F)c(F)c(N3CCOCC3)c2)cc(OC)c1CN1CCCCC1C,MRZPQFSDIDXGJS-UHFFFAOYSA-N
-rxn:4:187553:226844,CCOc1cc(-c2ccnc(C(=O)C(F)(F)F)c2)ccc1S(=O)(=O)N1CC(C)OC(C)C1,ZHCOYSFEHIYSRR-UHFFFAOYSA-N
-rxn:4:187555:226297,CC(C)OCc1cc(-c2ccccc2CCC(=O)N2CCC3(CC2)OCCS3)ccc1F,WUJCKPBRABXICW-UHFFFAOYSA-N
-rxn:4:187558:223179,CONC(=O)c1cc(-c2ccc(C3CCN(C(=O)OC(C)(C)C)CC3=O)cc2)ccc1F,ZPJOSYPVVIVZCT-UHFFFAOYSA-N
-rxn:4:187561:223279,CC(C)(C)S(=O)(=O)C1CCN(C(=O)c2cc(-c3cnc(C4CCCN4)nc3)ccc2Cl)C1,IBNRIENAWSZSDV-UHFFFAOYSA-N
-rxn:4:187569:222817,COc1ccc(S(=O)(=O)NC2CC2)cc1-c1cc(C)ccc1OCC(=O)N1C(C)CCCC1C,ZGYMLJXYTIDXGO-UHFFFAOYSA-N
-rxn:4:187569:223743,Cc1ccc(OCC(=O)N2C(C)CCCC2C)c(-c2ccc(C)c(OCCCN3CCC(C)CC3)c2)c1,SXWPBZZQOXXWKQ-UHFFFAOYSA-N
-rxn:4:187579:226844,CC1CN(C(=O)OC(C)(C)C)CCC1c1coc(-c2ccnc(C(=O)C(F)(F)F)c2)c1,RLHQVCKVEVZIAA-UHFFFAOYSA-N
-rxn:4:187582:223179,CONC(=O)c1cc(-c2cc(Cl)cc(C3CCN(C(=O)OC(C)(C)C)CC3)c2)ccc1F,SWQPMKQRKYBCHK-UHFFFAOYSA-N
-rxn:4:187583:223179,CONC(=O)c1cc(-c2ccc(Cl)c(C3CCN(C(=O)OC(C)(C)C)CC3)c2)ccc1F,PVXVWPLRTFZWER-UHFFFAOYSA-N
-rxn:4:187585:223179,CONC(=O)c1cc(-c2cc(Cl)cc(C3CCCN(C(=O)OC(C)(C)C)C3)c2)ccc1F,QTGIRTYBQMKZDP-UHFFFAOYSA-N
-rxn:4:187587:223179,CONC(=O)c1cc(-c2ccc(C3CCN(C(=O)OC(C)(C)C)CC3)c(Cl)c2)ccc1F,MMIDFJVLQXATMR-UHFFFAOYSA-N
-rxn:4:187592:223179,CONC(=O)c1cc(-c2cc(C3CCN(C(=O)OC(C)(C)C)CC3)ccc2F)ccc1F,AWVMBIKTQMIHEX-UHFFFAOYSA-N
-rxn:4:187594:226844,CC(C)(C)OC(=O)N1CCCC(c2cc(F)cc(-c3ccnc(C(=O)C(F)(F)F)c3)c2)C1,NBYSIVLEUAEQDD-UHFFFAOYSA-N
-rxn:4:187595:226844,CC(C)(C)OC(=O)N1CCC(c2cc(F)cc(-c3ccnc(C(=O)C(F)(F)F)c3)c2)CC1,RDDOXZGTZRNLDZ-UHFFFAOYSA-N
-rxn:4:187623:222912,CC(C)CNS(=O)(=O)c1ccc(-c2cccc(OC(C)C)c2CN2CCCCC2C)cc1,XRKZZPWBODZZIG-UHFFFAOYSA-N
-rxn:4:187628:226844,CCOc1cc(S(=O)(=O)N2CC(C)CC(C)C2)ccc1-c1ccnc(C(=O)C(F)(F)F)c1,FGQSNOWXEKDVFY-UHFFFAOYSA-N
-rxn:4:187633:223179,CONC(=O)c1cc(-c2cccc(C3(C)CN(C(=O)OC(C)(C)C)CCO3)c2)ccc1F,IFIQCAHQSDIDCC-UHFFFAOYSA-N
-rxn:4:187643:223179,CONC(=O)c1cc(-c2ccccc2CCC(=O)N2CCC3(CC2)OCCCO3)ccc1F,HUNUZSFEQFSLPT-UHFFFAOYSA-N
-rxn:4:187656:226844,CCN(C1CCCCC1)S(=O)(=O)c1cc(C)c(-c2ccnc(C(=O)C(F)(F)F)c2)cc1C,MGPKNJIWXUOOSR-UHFFFAOYSA-N
-rxn:4:187661:223098,CC(=O)NS(=O)(=O)c1ccc(-c2cccc(C3CCN(C(=O)OC(C)(C)C)CC3)c2C)cc1,KECXZZYUCHIVSC-UHFFFAOYSA-N
-rxn:4:187665:223079,CC(C)NS(=O)(=O)c1cccc(-c2cccc(C3CCN(C(=O)OC(C)(C)C)CC3C)c2)c1,ANACXKBKEVYKQE-UHFFFAOYSA-N
-rxn:4:187669:222936,CCC(=O)NS(=O)(=O)c1ccc(-c2ccc(C3(C)CCCN(C(=O)OC(C)(C)C)C3)cc2)cc1,BKBKLZDMBQGCFV-UHFFFAOYSA-N
-rxn:4:187669:223179,CONC(=O)c1cc(-c2ccc(C3(C)CCCN(C(=O)OC(C)(C)C)C3)cc2)ccc1F,FDCZSBVPIWCCGP-UHFFFAOYSA-N
-rxn:4:187669:226844,CC(C)(C)OC(=O)N1CCCC(C)(c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2)C1,FPTOMWADBGLGRC-UHFFFAOYSA-N
-rxn:4:187670:223279,CC1CN(C(=O)OC(C)(C)C)CCC1c1cc(Cl)cc(-c2cnc(C3CCCN3)nc2)c1,BJBKPPCMOWMQHX-UHFFFAOYSA-N
-rxn:4:187670:226844,CC1CN(C(=O)OC(C)(C)C)CCC1c1cc(Cl)cc(-c2ccnc(C(=O)C(F)(F)F)c2)c1,KMNIWUNQPMOQCC-UHFFFAOYSA-N
-rxn:4:187673:223098,CC(=O)NS(=O)(=O)c1ccc(-c2cc(F)cc(C3CCN(C(=O)OC(C)(C)C)CC3C)c2)cc1,WIPYQXGPAIETQR-UHFFFAOYSA-N
-rxn:4:187673:226844,CC1CN(C(=O)OC(C)(C)C)CCC1c1cc(F)cc(-c2ccnc(C(=O)C(F)(F)F)c2)c1,FKCIGDMYWXDEML-UHFFFAOYSA-N
-rxn:4:187679:226844,O=C(c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1)N(C1CCCCC1)C1CCCCC1,YKNGKUMHGHFUQT-UHFFFAOYSA-N
-rxn:4:187680:223179,CONC(=O)c1cc(-c2ccccc2C(=O)N(C2CCCCC2)C2CCCCC2)ccc1F,XHLKTFTVQHBEOA-UHFFFAOYSA-N
-rxn:4:187681:223179,CONC(=O)c1cc(-c2cc(C)cc(C3CCN(C(=O)OC(C)(C)C)CC3C)c2)ccc1F,YSCLJDFHWSOEDO-UHFFFAOYSA-N
-rxn:4:187688:226844,O=C(c1ccc(CN2CCC3(CC2)OCCO3)cc1)c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)c(F)c1,IECMSLOJUAKVDB-UHFFFAOYSA-N
-rxn:4:187689:223179,CONC(=O)c1cc(-c2ccc(C(=O)c3ccc(CN4CCC5(CC4)OCCO5)cc3)c(F)c2)ccc1F,HSTNLAMDDJZMRV-UHFFFAOYSA-N
-rxn:4:187691:223179,CONC(=O)c1cc(-c2ccc(C(=O)c3cccc(CN4CCC5(CC4)OCCO5)c3)c(F)c2)ccc1F,ZIEIVDMUFHVQGJ-UHFFFAOYSA-N
-rxn:4:187692:226844,O=C(c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)c(F)c1)c1ccccc1CN1CCC2(CC1)OCCO2,GRFQSNZACCTPNE-UHFFFAOYSA-N
-rxn:4:187693:223179,CONC(=O)c1cc(-c2ccc(C(=O)c3ccccc3CN3CCC4(CC3)OCCO4)c(F)c2)ccc1F,SBHLVJQVGCJABJ-UHFFFAOYSA-N
-rxn:4:187695:223179,CONC(=O)c1cc(-c2cc(F)cc(N3CCC(O[Si](C)(C)C(C)(C)C)CC3)c2)ccc1F,YBKQDKMGNJOWMU-UHFFFAOYSA-N
-rxn:4:187792:222545,CCOC(=O)c1cc2cc(-c3ccc(C(C)(C)NC(=O)OC(C)(C)C)cc3)cn2c(C(C)=O)c1C,BIDICQZQVLAFTF-UHFFFAOYSA-N
-rxn:4:187810:223598,COC(=O)c1cc(-c2ccc(OCCN3CCC4(CC3)OCCO4)c(F)c2)cc2c1CCN2CC1CC1,SNMXPCVUTAWQGD-UHFFFAOYSA-N
-rxn:4:187813:223598,O=C(OCc1ccccc1)N1Cc2cccc(-c3ccc(OCCN4CCC5(CC4)OCCO5)c(F)c3)c2C1,XQRUMICRRSOCRU-UHFFFAOYSA-N
-rxn:4:187828:226844,CC(C)(C)OC(=O)CN1C(=O)c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2S1(=O)=O,GJFLDBLKNKYVQB-UHFFFAOYSA-N
-rxn:4:187849:223179,CONC(=O)c1cc(-c2cc(C(F)(F)F)cc3c2CCN3C(=O)OC(C)(C)C)ccc1F,WSHROBYPBMZBLF-UHFFFAOYSA-N
-rxn:4:187909:224280,CC(C)N(C(=O)c1ccc2cc(-c3cc4c(s3)CCN(C(=O)OC(C)(C)C)C4)ccc2c1)C(C)C,KFNMWCYOTXFKJQ-UHFFFAOYSA-N
-rxn:4:187916:224650,COc1cc(OC)c(C23CCN(C)CC2O3)c(OC)c1-c1cc(F)ccc1OCC1CCOCC1,PEURFTYNIYBGBG-UHFFFAOYSA-N
-rxn:4:187917:223179,CONC(=O)c1cc(-c2ccc(OC)cc2C(=O)N2C3CCC2CC(SC)C3)ccc1F,NYIRDQQHVKITCF-UHFFFAOYSA-N
-rxn:4:187918:223179,CONC(=O)c1cc(-c2cc3c(c(OC)c2)OCCN(C(=O)OC(C)(C)C)C3)ccc1F,MOHQVMQEKFVWDO-UHFFFAOYSA-N
-rxn:4:187946:223179,CONC(=O)c1cc(-c2c(OC)ccc3c2CCN(C(=O)OC(C)(C)C)[C@@H]3C)ccc1F,FQPNPUJPCKWNKV-CQSZACIVSA-N
-rxn:4:187947:224970,CCN(C(=O)c1cc2cc(-c3ccc(S[Si](C)(C)C(C)(C)C)cc3)ccc2oc1=O)C1CCCCC1,IFHVVDWKDMFVLS-UHFFFAOYSA-N
-rxn:4:187948:222486,COc1ccc(-c2cncc(-c3cncc(C4CCCCN4)c3)c2)c(C(=O)N2C3CCC2CC(S(C)(=O)=O)C3)c1,PGLCGPFGNQSKCP-UHFFFAOYSA-N
-rxn:4:187948:224298,COc1ccc(-c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C(=O)N2C3CCC2CC(S(C)(=O)=O)C3)c1,MVRXLIRLPCBSQQ-UHFFFAOYSA-N
-rxn:4:187955:223179,CONC(=O)c1cc(-c2ccccc2C=C2Oc3cc(OC(=O)N4CCOCC4)ccc3C2=O)ccc1F,WCNOEHITCFFWJN-UHFFFAOYSA-N
-rxn:4:187969:224129,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3cccc(C(=O)N(C)C4CCCCC4)c3)cccc21,WZXLLALPVHTHOB-UHFFFAOYSA-N
-rxn:4:187970:224321,CC1CCN(S(=O)(=O)c2cccc(-c3cn([Si](C(C)C)(C(C)C)C(C)C)c4ccccc34)c2)CC1,PSYBSVZEMRQFFQ-UHFFFAOYSA-N
-rxn:4:187971:223889,CC(C)[Si](C(C)C)(C(C)C)n1ccc2ccc(-c3cccc4c3CN(C(=O)OC(C)(C)C)CC4)cc21,HKUQZSQZDIJEBK-UHFFFAOYSA-N
-rxn:4:187991:223179,CONC(=O)c1cc(-c2ccccc2C(=O)Oc2ccc(N3C(=O)C4CCC(C)CC4C3=O)cc2)ccc1F,UPDBWBZZGNLPGE-UHFFFAOYSA-N
-rxn:4:187991:223279,CC1CCC2C(=O)N(c3ccc(OC(=O)c4ccccc4-c4cnc(C5CCCN5)nc4)cc3)C(=O)C2C1,CCDNHMYJEDKJLF-UHFFFAOYSA-N
-rxn:4:188005:226844,COc1ccc(CN2C(=O)C3C(c4ccc(-c5ccnc(C(=O)C(F)(F)F)c5)cc4)OC4(C(=O)c5ccccc5C4=O)C3C2=O)cc1,RCBOGEOUHLDODF-UHFFFAOYSA-N
-rxn:4:188006:223179,CONC(=O)c1cc(-c2cc(C#N)ccc2OCC23CC4CC(CC(C4)C2)C3)ccc1F,AXZXUBYYGPMGOL-UHFFFAOYSA-N
-rxn:4:188006:226844,N#Cc1ccc(OCC23CC4CC(CC(C4)C2)C3)c(-c2ccnc(C(=O)C(F)(F)F)c2)c1,LAJSDTCYEKWPSO-UHFFFAOYSA-N
-rxn:4:188013:223179,CONC(=O)c1cc(-c2ccc(C(=O)Oc3ccc(N4C(=O)C5C6CCC(C6)C5C4=O)cc3)cc2)ccc1F,UZPVCLUEKJNFMJ-UHFFFAOYSA-N
-rxn:4:189303:223492,CCN(C)S(=O)(=O)c1ccccc1-c1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c(C)c1,OPNJFZZMCQVBKC-UHFFFAOYSA-N
-rxn:4:189378:223499,CN(C)S(=O)(=O)c1cc(-c2ccc(Cl)c(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)cc(C(F)(F)F)c1,AMPLBKSLAOAKDG-UHFFFAOYSA-N
-rxn:4:189451:223896,COc1cccc(-c2ccc(C(=O)N3CC(OC)C3)c(F)c2)c1C(=O)N(C(C)C)C(C)C,OCKXRAUSGBWCRK-UHFFFAOYSA-N
-rxn:4:189605:224734,COc1ccc(-c2ccc(C(F)(F)F)cc2OCC2CC2)cc1C=C1N=C(SC)SC1=O,KVROFNCAIYAVNM-UHFFFAOYSA-N
-rxn:4:189630:223497,COC(=O)c1cc(-c2ccc(C(C)N3CCC(O[Si](C)(C)C(C)(C)C)CC3)cc2)cc(C(C)(C)C)n1,YKEBEHHISYTMBD-UHFFFAOYSA-N
-rxn:4:189692:224368,CN(C(=O)OC(C)(C)C)c1cc(-c2cc([N+](=O)[O-])ccc2OC2CCOCC2)cnc1Cl,XNSYMDSXXGEVMM-UHFFFAOYSA-N
-rxn:4:189790:222604,COC(=O)c1cnc(C2CCCC2)cc1-c1ccc(OC)c(S(=O)(=O)NC2CCCC2)c1,BGCVKXRNEXHYHF-UHFFFAOYSA-N
-rxn:4:189889:223179,CONC(=O)c1cc(-c2ccc(S(=O)(=O)N3CCC(F)(F)C3)cc2C(F)(F)F)ccc1F,JGXDOKBQHDSKHF-UHFFFAOYSA-N
-rxn:4:190015:222723,COc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1cccc(NS(=O)(=O)N2CCOCC2)c1,HYXKCYJBMQDOIO-UHFFFAOYSA-N
-rxn:4:190053:224484,CC(C)N(C(=O)c1ccccc1-c1cccc(C(F)(F)F)c1C(=O)N1CCCCC1)C(C)C,BDEMUBITKOGCHP-UHFFFAOYSA-N
-rxn:4:190054:225207,Cc1c(-c2ccc(CC(=O)N3CCC(F)(F)CC3)cc2F)cc(C2CC2)cc1C(F)(F)F,IERVGUCOCMJGJE-UHFFFAOYSA-N
-rxn:4:190071:225080,COC(=O)C1CCc2cc(-c3ccc(Cl)c(C(=O)N4CCC(C(F)(F)F)CC4)c3)ccc2O1,JJXCJTAAABHRRM-UHFFFAOYSA-N
-rxn:4:190085:223179,CONC(=O)c1cc(-c2cccc(C(F)(F)F)c2C(=O)N2CCC(F)(F)CC2)ccc1F,SEMUAQRFNUOLRU-UHFFFAOYSA-N
-rxn:4:190134:223492,COc1cc(-c2ccc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c(C)c2)cc(C(=O)N2CCCCC2)c1F,NZJRMYLNHWPFKA-UHFFFAOYSA-N
-rxn:4:190173:223279,O=S(=O)(c1cc(-c2cnc(C3CCCN3)nc2)c(F)cc1F)N1CCC(C(F)(F)F)CC1,IYNLECLSSKDXTH-UHFFFAOYSA-N
-rxn:4:190271:222722,CC1CCN(C(=O)Cc2ccc(F)cc2-c2cccc(S(=O)(=O)N3CCC(O)CC3)c2)CC1,JEOASUJUZZDSCS-UHFFFAOYSA-N
-rxn:4:190294:226844,Cc1cc(C(=O)N2CCC(C(F)(F)F)CC2)c(F)c(-c2ccnc(C(=O)C(F)(F)F)c2)c1,OKGTUYVOCOIKNQ-UHFFFAOYSA-N
-rxn:4:190354:226844,Cc1cc(-c2ccnc(C(=O)C(F)(F)F)c2)cc(S(=O)(=O)N2CCC(C(F)(F)F)CC2)c1,DNGPKNYUCUAFGF-UHFFFAOYSA-N
-rxn:4:190355:222855,COc1cc(-c2cc(C(F)(F)F)cc(S(=O)(=O)N3CCC(C)CC3)c2)cc(C2CCCNC2)c1,DLBTZNLAVHKBOD-UHFFFAOYSA-N
-rxn:4:190363:224101,COc1ccc(-c2cccc(OCCN3CCC(C)CC3)c2)c(CN2CCC(C)CC2)c1,YWVKRZGPQKFSGN-UHFFFAOYSA-N
-rxn:4:190379:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3ccc(S(=O)(=O)N4CCCC(C)C4)cc3OC)c2)CC1,VAQDAEFHLGSRGD-UHFFFAOYSA-N
-rxn:4:190393:222936,CCC(=O)NS(=O)(=O)c1ccc(-c2cc(F)ccc2N2CCCC(C(=O)C(C)C)C2=O)cc1,GVEGQVHNVUVNIP-UHFFFAOYSA-N
-rxn:4:190426:222782,Cc1cc(-c2ccc(C3CCN(S(=O)(=O)C(C)C)CC3)cc2)cnc1NC(=O)OC(C)(C)C,HKDSCXJFMOZNKQ-UHFFFAOYSA-N
-rxn:4:190431:223179,CONC(=O)c1cc(-c2ccc(OC)cc2C(=O)N2CCC3(CC2)OCCS3)ccc1F,MHSGESGSUBLWKN-UHFFFAOYSA-N
-rxn:4:190433:226844,Cc1cc(-c2ccnc(C(=O)C(F)(F)F)c2)cc(S(=O)(=O)N2CCCC(C(C)(F)F)C2)c1,GDGWQVVCNZDFGK-UHFFFAOYSA-N
-rxn:4:190451:223179,CONC(=O)c1cc(-c2cc(S(=O)(=O)N3CCC4(CC3)OCCO4)ccc2OC)ccc1F,QXBTWTDEBYRRSH-UHFFFAOYSA-N
-rxn:4:190451:223279,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1cnc(C2CCCN2)nc1,ZMUKCNBTXJUQDL-UHFFFAOYSA-N
-rxn:4:190463:223080,COc1cc(S(=O)(=O)N2CC(C)OC(C)C2)c(C)cc1-c1ccc(S(=O)(=O)NC(C)C)cc1,LJCPVZYDYZCXGS-UHFFFAOYSA-N
-rxn:4:190469:223279,O=C1C(=Cc2ccc(-c3cccc(-c4cnc(C5CCCN5)nc4)c3)o2)SC(=S)N1C1CCS(=O)(=O)C1,PCQPKTNONLVYSY-UHFFFAOYSA-N
-rxn:4:190473:224078,Cc1cc(-c2cccc3c2ccn3[Si](C)(C)C(C)(C)C)c(S(=O)(=O)N(C)C2CCCCC2)cc1C,IVCWUMRIFBMDPQ-UHFFFAOYSA-N
-rxn:4:190473:224842,Cc1cc(-c2ccc3c(c2)C(C)(C)CCC3(C)C)c(S(=O)(=O)N(C)C2CCCCC2)cc1C,SMCXOKUXLPLIPA-UHFFFAOYSA-N
-rxn:4:190477:223179,CONC(=O)c1cc(-c2ccc(OC)cc2C(=O)N2CC3(COC(C)(C)OC3)C2)ccc1F,XGXDZCZKSAHCIH-UHFFFAOYSA-N
-rxn:4:190477:223279,COc1ccc(-c2cnc(C3CCCN3)nc2)c(C(=O)N2CC3(COC(C)(C)OC3)C2)c1,KLDCIRJRDLPOSK-UHFFFAOYSA-N
-rxn:4:190488:226844,COc1cc(C)c(-c2ccnc(C(=O)C(F)(F)F)c2)cc1S(=O)(=O)N1CC(C)CC(C)C1,DDFLEOSYEQRBOG-UHFFFAOYSA-N
-rxn:4:190603:223540,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1cc2oc(=O)n(CC(F)(F)F)c2cc1OC,KOQYWMXEFBCEEL-UHFFFAOYSA-N
-rxn:4:190736:223521,CCOC(=O)c1cc2cccc(-c3cccc(C(C)N4CCN(C(=O)OC(C)(C)C)CC4)c3)c2nc1C,WDSADSSOUSTMTC-UHFFFAOYSA-N
-rxn:4:190816:223521,CC(c1cccc(-c2c(Oc3ccc(C(F)(F)F)cn3)ccc3ccccc23)c1)N1CCN(C(=O)OC(C)(C)C)CC1,FSBLHGOTRFVJOB-UHFFFAOYSA-N
-rxn:4:190865:224566,COC(=O)C1(c2ccc(-c3ccc4c(c3)C(=O)C(=O)N4CC(=O)C(C)(C)C)cc2)CCCC1,ALHYCSWNNKFCCW-UHFFFAOYSA-N
-rxn:4:190952:224486,CC(C)N(C(=O)c1cccc(-c2ccc3c(c2)CCN(C(=O)OC(C)(C)C)C3)c1)C(C)C,JKGBJSHDAAECFG-UHFFFAOYSA-N
-rxn:4:191007:222730,CCCc1cc(-c2ccc3c(c2)COC32CN(C(=O)OC(C)(C)C)C2)cc(C2CCNCC2)n1,KVMQUETVCYVZKN-UHFFFAOYSA-N
-rxn:4:191029:224864,Cc1c(-c2ccc(CN(C(C)C)C(C)C)cc2)ccc2c1CCN(C(=O)OC(C)(C)C)C2,FFSDPOIRHURCCG-UHFFFAOYSA-N
-rxn:4:191042:223179,CONC(=O)c1cc(-c2ccc3c(c2)C(=O)C2(C3)CN(C(=O)OC(C)(C)C)C2)ccc1F,QWBKMLRWTUFMBS-UHFFFAOYSA-N
-rxn:4:191062:223179,CONC(=O)c1cc(-c2ccccc2S(=O)(=O)N2C3CCC2CC(S(C)(=O)=O)C3)ccc1F,HOHIUDVVGBNMJZ-UHFFFAOYSA-N
-rxn:4:191062:224883,CC(c1ccc(-c2ccccc2S(=O)(=O)N2C3CCC2CC(S(C)(=O)=O)C3)cc1)N1CCCCC1,MXNMEADAQWSVGP-UHFFFAOYSA-N
-rxn:4:191062:226084,CS(=O)(=O)C1CC2CCC(C1)N2S(=O)(=O)c1ccccc1-c1ccc2c(c1)C(=O)CCCC2,HSZSWCCCENKUTG-UHFFFAOYSA-N
-rxn:4:191062:227205,CS(=O)(=O)C1CC2CCC(C1)N2S(=O)(=O)c1ccccc1-c1cccc2c1OCCCO2,ZNUGKVZDJLPIAY-UHFFFAOYSA-N
-rxn:4:191062:228002,CS(=O)(=O)C1CC2CCC(C1)N2S(=O)(=O)c1ccccc1-c1sccc1C1CCCC1,GRJPECURJUFIDT-UHFFFAOYSA-N
-rxn:4:191072:226844,CC(C)(C)OC(=O)N1CCC2(CC1)OCc1cc(-c3ccnc(C(=O)C(F)(F)F)c3)sc12,DNXISSYIZCTTNW-UHFFFAOYSA-N
-rxn:4:191073:223179,CONC(=O)c1cc(-c2ccc3c(c2)C2(CCN(C(=O)OC(C)(C)C)C2)OC3)ccc1F,URPSMVNPBBIWFQ-UHFFFAOYSA-N
-rxn:4:191087:222867,CC(C)(C)OC(=O)Nc1ccc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CCC3(C)C)cc1,RNNCZSCWIKSOLH-UHFFFAOYSA-N
-rxn:4:191097:224609,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3cnccc3C(=O)N(C(C)C)C(C)C)cc21,CKQYLOTZQUVWBU-UHFFFAOYSA-N
-rxn:4:191103:223179,CONC(=O)c1cc(-c2ccc3c(c2)C2(C=C3)CCN(C(=O)OC(C)(C)C)CC2)ccc1F,NXDFNMMCPDDESH-UHFFFAOYSA-N
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-rxn:4:191119:223009,CC(C)(C)OC(=O)N1CCC2(CC1)Cc1ccc(-c3cc(Cl)cc(C4CCNCC4)c3)cc1C2=O,RFNINYUEAWLLNI-UHFFFAOYSA-N
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-rxn:4:191120:226844,CC(C)(C)OC(=O)N1CCC2(CC1)Cc1cc(F)c(-c3ccnc(C(=O)C(F)(F)F)c3)cc1C2=O,LIBDJNHVLWHGNW-UHFFFAOYSA-N
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-rxn:4:191123:224076,CC(C)(C)OC(=O)N1CCC2(CCc3cccc(-c4ccc5c(ccn5[Si](C)(C)C(C)(C)C)c4)c32)CC1,JUFLJUWKBFGSKS-UHFFFAOYSA-N
-rxn:4:191123:226844,CC(C)(C)OC(=O)N1CCC2(CCc3cccc(-c4ccnc(C(=O)C(F)(F)F)c4)c32)CC1,QHLCNDAMAYTXNI-UHFFFAOYSA-N
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-rxn:4:191126:223279,CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)c1cc(-c3cnc(C4CCCN4)nc3)ccc1O2,BNTSUATVHJAVQO-UHFFFAOYSA-N
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-rxn:4:191689:223505,CCOc1cc(-c2ccc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cc2)ncc1F,MLVIQQQOOWQQQZ-UHFFFAOYSA-N
-rxn:4:192070:223497,CCc1cc(F)c([N+](=O)[O-])cc1-c1ccc(C(C)N2CCC(O[Si](C)(C)C(C)(C)C)CC2)cc1,YENQKFRVKWSMPK-UHFFFAOYSA-N
-rxn:4:192621:223650,CC(C)(C)OC(=O)N1CCN(c2ccccc2-c2ccc(CN3C(=O)C=CC3=O)cc2)CC1,SBZSAFGMNSXJNW-UHFFFAOYSA-N
-rxn:4:192976:223813,Fc1cc(-c2ccc(C3CCCO3)nc2C(F)(F)F)ccc1CN1CCC2(CC1)OCCO2,HWJGUWSWUOCNDQ-UHFFFAOYSA-N
-rxn:4:193122:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3cc(C(=O)N4CCCC4)cc(F)c3F)c2)CC1,DRCYEBLZKQISIE-UHFFFAOYSA-N
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-rxn:4:193562:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1cc(S(=O)(=O)N2CCCC2)ccc1C,ZOWCTILTZGXOPD-UHFFFAOYSA-N
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-rxn:4:193832:224330,Cc1cc(S(=O)(=O)N2CCCC2)c(C)cc1-c1ccc(Cl)c(C(=O)N2CCC(=O)CC2)c1,PJBLOJSAEVCYBU-UHFFFAOYSA-N
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-rxn:4:193920:224412,CC1CC(C)CN(C(=O)c2cccc(-c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3)c2)C1,SRIOBFWYBZKJNW-UHFFFAOYSA-N
-rxn:4:193933:224291,Cc1cc(C(=O)N2CCC(C)CC2)c(F)c(-c2ccc(OCCN3CCOCC3)c(F)c2)c1,GOZBRZYSRPCQTG-UHFFFAOYSA-N
-rxn:4:193940:222521,CCc1cc(-c2cc(NC(=O)OC(C)(C)C)cc(C(F)(F)F)c2)cc(N2CCC(C)CC2)c1,UDKGUANDTIKFRJ-UHFFFAOYSA-N
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-rxn:4:193986:222628,O=C(c1cccc(-c2cc(C3CCC3)nc(C3CCCNC3)c2)c1)N1CCC2(CC1)OCCCO2,RUXGNRMMVWZDET-UHFFFAOYSA-N
-rxn:4:193998:223994,Cc1cc(-c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2C)c(S(=O)(=O)N2CCCCCC2)cc1C,PGYSRYGYFKJCQW-UHFFFAOYSA-N
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-rxn:4:194644:222705,C=C1CC2CCC(C1)N2C(=O)c1cccc(-c2cc(C3CCNCC3)cc(C(F)(F)F)c2)c1,DNIULGFMWFGIRF-UHFFFAOYSA-N
-rxn:4:194681:223491,COc1cccc2c1OCC(=O)N(c1ccccc1-c1cc(N3CCN(C(=O)OC(C)(C)C)CC3)cc(C(F)(F)F)c1)C2,QSGIVAWTDQXWKC-UHFFFAOYSA-N
-rxn:4:194686:223279,O=C1CC2(CCN(C(=O)C(F)(F)F)CC2)c2ccc(-c3cnc(C4CCCN4)nc3)cc21,JVIMWRWQQHHJDO-UHFFFAOYSA-N
-rxn:4:194686:226844,O=C1CC2(CCN(C(=O)C(F)(F)F)CC2)c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc21,SJVAUVKQXMHMDF-UHFFFAOYSA-N
-rxn:4:194687:226844,O=C1CC2(CCN(C(=O)C(F)(F)F)CC2)c2c1cccc2-c1ccnc(C(=O)C(F)(F)F)c1,PRBVUGOPSQWCLN-UHFFFAOYSA-N
-rxn:4:194734:224619,CC1(C)OCC(c2ccc3cc(-c4ccc(OCCN5CCCC5)c(F)c4)ccc3c2)([N+](=O)[O-])CO1,KNRLZHVPMLGQLT-UHFFFAOYSA-N
-rxn:4:194741:222651,COc1cccc2c1OC(C)C(=O)N(c1ccc(F)cc1-c1cc(C(=O)NC3CCCCC3)ccc1F)C2,NNIUNWQSSFMIJK-UHFFFAOYSA-N
-rxn:4:194750:226426,CC1CCN(c2ccc(-c3ccccc3S(=O)(=O)N3C4CCC3CC(=C3CC3)C4)s2)CC1,FYSPMODKLHOBMF-UHFFFAOYSA-N
-rxn:4:194755:226844,O=C(c1cc(-c2cccc3c2CCCC3N2CCCC(C(F)(F)F)C2)ccn1)C(F)(F)F,JKSCYKOUOBBMHN-UHFFFAOYSA-N
-rxn:4:194756:226844,O=C(c1cc(-c2cccc3c2CCCC3N2CCC(C(F)(F)F)CC2)ccn1)C(F)(F)F,NMUUWVAQMMVNKC-UHFFFAOYSA-N
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-rxn:4:194795:223279,O=C1C2C(c3ccc(-c4cnc(C5CCCN5)nc4)cc3)OC3(C(=O)c4ccccc4C3=O)C2C(=O)N1c1cccc(F)c1,JKKDEUHLEHVDBT-UHFFFAOYSA-N
-rxn:4:194798:223279,Cc1ccc(C2OC3(C(=O)c4ccccc4C3=O)C3C(=O)N(c4ccc(-c5cnc(C6CCCN6)nc5)cc4)C(=O)C23)cc1,CYVJXGKDVSPADM-UHFFFAOYSA-N
-rxn:4:194800:222576,Cc1cccc(C2OC3(C(=O)c4ccccc4C3=O)C3C(=O)N(c4ccccc4-c4cccc(C(=O)Nc5cccc(Cl)c5C)c4)C(=O)C23)c1,YTLBCZYATGSBOJ-UHFFFAOYSA-N
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-rxn:4:194801:223279,Cc1ccc(N2C(=O)C3C(c4ccccc4-c4cnc(C5CCCN5)nc4)OC4(C(=O)c5ccccc5C4=O)C3C2=O)cc1C,JAZJVERENNOKHP-UHFFFAOYSA-N
-rxn:4:194801:224685,Cc1ccc(N2C(=O)C3C(c4ccccc4-c4cccc(C(=O)N5CCC(=O)CC5)c4)OC4(C(=O)c5ccccc5C4=O)C3C2=O)cc1C,GKEZFYGKYUGQBQ-UHFFFAOYSA-N
-rxn:4:194852:225166,CN1C(=O)C(S(=O)(=O)c2ccccc2)C2CC1(C)Oc1ccc(-c3ccc(C(=O)N4CCCC4)c(F)c3)cc12,QNWGSZKKNJCCII-UHFFFAOYSA-N
-rxn:4:195108:223490,Cc1ccc(-c2ccc(Cl)c(C(F)F)n2)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,LUDYXBZSCGBAQK-UHFFFAOYSA-N
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-rxn:4:197631:223489,CC(=O)c1cn(C)c2c(-c3ccc(S(=O)(=O)N4CCC(O[Si](C)(C)C(C)(C)C)CC4)cc3)cccc12,GDCCKVHDGRGYFV-UHFFFAOYSA-N
-rxn:4:197971:222634,CC1CCCCN1C1CCc2c(-c3ccc(OCCNC4CCCC4)c(F)c3)cccc21,CORFOMFGXIUWSR-UHFFFAOYSA-N
-rxn:4:197982:222714,CC(C)(C)OC(=O)Nc1cc(F)c(F)c(-c2ccc3c(c2)CN(c2ccc4c(c2)OCCO4)C(=O)CO3)c1,WVSPTAMQJOZXRI-UHFFFAOYSA-N
-rxn:4:197988:224088,CC1CCN(C2CCCc3c(-c4ccc(OCCN5CCCCCC5)cc4)cccc32)CC1,MOKUQUJGJDENGS-UHFFFAOYSA-N
-rxn:4:197989:223919,CC1CCCCN1C1CCCc2cc(-c3ccc(C(=O)N(C)C4CCCCC4)c(Cl)c3)ccc21,YBJQEBGNLQMCQF-UHFFFAOYSA-N
-rxn:4:198952:223504,CN1C(=O)C(=O)c2cc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)c([N+](=O)[O-])c3)ccc21,OLUJTFVTRFJNPK-UHFFFAOYSA-N
-rxn:4:199440:223834,CCOC(=O)Cc1c([N+](=O)[O-])ccc(C#N)c1-c1cc(C)c(S(=O)(=O)N2CCN(C)CC2)c(C)c1,AVRLNMJHWXIDMX-UHFFFAOYSA-N
-rxn:4:199472:223279,Cc1[nH]nc(C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)c1-c1cnc(C2CCCN2)nc1,RNFUFTHRLXIZCR-UHFFFAOYSA-N
-rxn:4:199500:222868,COC(=O)C(C(=O)OC(C)(C)C)c1ncc(-c2ccccc2NC(=O)OC(C)(C)C)cn1,MQPZLMFOUQJWIC-UHFFFAOYSA-N
-rxn:4:199500:224608,COC(=O)c1cc(OCC2CC2)cc(-c2cnc(C(C(=O)OC)C(=O)OC(C)(C)C)nc2)c1,KYVLYSVXGPRBLD-UHFFFAOYSA-N
-rxn:4:199518:224941,O=C(CCC(F)(F)F)N1CCC(Oc2ccncc2-c2ccc(CCN3CCOCC3)cc2)C1,CSKPPZQVMKCMJF-UHFFFAOYSA-N
-rxn:4:199539:222673,CCCS(=O)(=O)N1CCN=C1SCc1ccc(-c2cc(C(=O)NC3CCCCC3)ccc2Cl)cc1,QJHCBZYHBSXBQN-UHFFFAOYSA-N
-rxn:4:199555:223179,CONC(=O)c1cc(-c2cc(C#N)ccc2OC2CN(C(=O)OC(C)(C)C)C2)ccc1F,XBFNLVIVYOPZBO-UHFFFAOYSA-N
-rxn:4:199557:223179,CONC(=O)c1cc(-c2ccc(C#N)c(OC3CN(C(=O)OC(C)(C)C)C3)c2)ccc1F,JRIDDSVWENYVHS-UHFFFAOYSA-N
-rxn:4:199570:225775,COC(=O)c1cc(-c2cncc(OC[C@H]3CCN3C(=O)OC(C)(C)C)c2)cc(OC)c1C,NINKKFDEUCUADX-GOSISDBHSA-N
-rxn:4:199576:226844,CC(C)(C)OC(=O)N1CC(Oc2cc(-c3ccnc(C(=O)C(F)(F)F)c3)c(Cl)cc2[N+](=O)[O-])C1,YUTXXXCKIWKGNI-UHFFFAOYSA-N
-rxn:4:199589:222752,Cc1cc(NC(=O)OC(C)(C)C)ccc1-c1ccc(CN(C(=O)OC(C)(C)C)C(C)C)cn1,YDAKREPEZJHPRO-UHFFFAOYSA-N
-rxn:4:199591:223881,Cc1ccc2cc(-c3ccc(CN(C(=O)OC(C)(C)C)C(C)C)nc3)n(C(=O)OC(C)(C)C)c2c1,NMSYQVZUHAYHOP-UHFFFAOYSA-N
-rxn:4:199593:223179,CONC(=O)c1cc(-c2cc([N+](=O)[O-])ccc2OCCN2CCC(OC)CC2)ccc1F,DLPOHIMRRWZRRQ-UHFFFAOYSA-N
-rxn:4:199593:226844,COC1CCN(CCOc2ccc([N+](=O)[O-])cc2-c2ccnc(C(=O)C(F)(F)F)c2)CC1,GBACSVBFKMRKHM-UHFFFAOYSA-N
-rxn:4:199596:223279,CN1CCN(CCOc2cc(OC(F)(F)F)ccc2-c2cnc(C3CCCN3)nc2)CC1,RQCSVERQQWHSJB-UHFFFAOYSA-N
-rxn:4:199597:223279,CN1CCN(CCOc2ccc(OC(F)(F)F)cc2-c2cnc(C3CCCN3)nc2)CC1,FHUMNWQCPLSAQH-UHFFFAOYSA-N
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-rxn:4:199621:223279,CCOC(=O)CC1CCN(c2ccc([N+](=O)[O-])cc2-c2cnc(C3CCCN3)nc2)CC1,VIBOKTITIDBMMI-UHFFFAOYSA-N
-rxn:4:199621:226844,CCOC(=O)CC1CCN(c2ccc([N+](=O)[O-])cc2-c2ccnc(C(=O)C(F)(F)F)c2)CC1,UHNCFFYEZIYULM-UHFFFAOYSA-N
-rxn:4:199625:223279,CC(C)(C)OC(=O)N1CC[C@@H](Oc2ccc(-c3cnc(C4CCCN4)nc3)cc2C#N)C1,FLABGGLEJHBBDF-FIWHBWSRSA-N
-rxn:4:199628:224410,COc1ccc(C(=O)N2CCN=C2SCc2ccc(-c3ccc(OCC(F)(F)F)c(C(F)(F)F)c3)cc2)cc1,VPPMZJKZOYYGMV-UHFFFAOYSA-N
-rxn:4:199645:223126,CC(C)(C)OC(=O)N1CCCC1COc1cccc(-c2cccc(NC(=O)C3CC3)c2)n1,RVQWZNSKRUYAIC-UHFFFAOYSA-N
-rxn:4:199646:226844,CC(C)(C)OC(=O)N1CCCC1CSc1cccc(-c2ccnc(C(=O)C(F)(F)F)c2)n1,XZBDXZNGFAANFU-UHFFFAOYSA-N
-rxn:4:199650:226844,Cc1cc(-c2ccnc(C(=O)C(F)(F)F)c2)cnc1OCC1CN(C(=O)OC(C)(C)C)C1,DYMPELLAXGVEHA-UHFFFAOYSA-N
-rxn:4:199651:226844,CCN1CCN(Cc2cccc(-c3ccnc(C(=O)C(F)(F)F)c3)c2OCC(F)(F)F)CC1,UYFDAIQTAFJBME-UHFFFAOYSA-N
-rxn:4:199652:223179,CONC(=O)c1cc(-c2cc(OC3CCN(C(=O)OC(C)(C)C)C3)ccc2[N+](=O)[O-])ccc1F,AJVNUPHFSPFMJQ-UHFFFAOYSA-N
-rxn:4:199692:223179,CONC(=O)c1cc(-c2ccc(OC3CCN(C(=O)OC(C)(C)C)CC3)c(C#N)c2)ccc1F,QYWSXOAPPPQLNE-UHFFFAOYSA-N
-rxn:4:199692:223279,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3cnc(C4CCCN4)nc3)cc2C#N)CC1,RYJYDQJDOBQZMR-UHFFFAOYSA-N
-rxn:4:199693:223179,CONC(=O)c1cc(-c2cc(C#N)ccc2OC2CCN(C(=O)OC(C)(C)C)CC2)ccc1F,OOHDYRJVSFSCEU-UHFFFAOYSA-N
-rxn:4:199693:223279,CC(C)(C)OC(=O)N1CCC(Oc2ccc(C#N)cc2-c2cnc(C3CCCN3)nc2)CC1,CINNKNPMYURKEY-UHFFFAOYSA-N
-rxn:4:199693:226844,CC(C)(C)OC(=O)N1CCC(Oc2ccc(C#N)cc2-c2ccnc(C(=O)C(F)(F)F)c2)CC1,VTYXANAMYPCPEC-UHFFFAOYSA-N
-rxn:4:199706:223179,CONC(=O)c1cc(-c2cccc(F)c2OCCCN2CCN(C(C)C)CC2)ccc1F,BOEZIVLMLKBPRV-UHFFFAOYSA-N
-rxn:4:199707:223179,CONC(=O)c1cc(-c2cccc(SCC3CCCN(C(=O)OC(C)(C)C)C3)n2)ccc1F,VEARGKDJTXQEML-UHFFFAOYSA-N
-rxn:4:199708:223279,CC(C)(C)OC(=O)N1CCCC(COc2cccc(-c3cnc(C4CCCN4)nc3)n2)C1,TUKXTRGOSLFALN-UHFFFAOYSA-N
-rxn:4:199710:223179,CONC(=O)c1cc(-c2ccc(COC3CCN(C(=O)OC(C)(C)C)CC3)cn2)ccc1F,LSZWAIGDYNOMMP-UHFFFAOYSA-N
-rxn:4:199710:224623,COc1ccc(C(=O)OC(C)(C)C)c(-c2ccc(COC3CCN(C(=O)OC(C)(C)C)CC3)cn2)c1,ZAHXDCGREJCULN-UHFFFAOYSA-N
-rxn:4:199711:223179,CONC(=O)c1cc(-c2ccc(OCC3CCCN(C(=O)OC(C)(C)C)C3)cn2)ccc1F,VOKWTNWWMJDSGX-UHFFFAOYSA-N
-rxn:4:199713:225188,CCCOc1cc(S(=O)(=O)N2CCN(CC)CC2)ccc1-c1ccc(Cl)c(CN2CCOCC2)c1,HYWWVLAVTSZKAM-UHFFFAOYSA-N
-rxn:4:199713:226844,CCCOc1cc(S(=O)(=O)N2CCN(CC)CC2)ccc1-c1ccnc(C(=O)C(F)(F)F)c1,LSZCECQTVJMDIF-UHFFFAOYSA-N
-rxn:4:199714:223279,CC(C)(C)OC(=O)N1CCC(COc2ccc(-c3cnc(C4CCCN4)nc3)cn2)CC1,IQQUYUCTCBQREW-UHFFFAOYSA-N
-rxn:4:199717:223179,CONC(=O)c1cc(-c2ccc(CON3CCN(C(=O)OC(C)(C)C)CC3)cc2F)ccc1F,HSJIGDQOOPHWEQ-UHFFFAOYSA-N
-rxn:4:199717:226844,CC(C)(C)OC(=O)N1CCN(OCc2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)c(F)c2)CC1,RJMDJCCNNCRGOP-UHFFFAOYSA-N
-rxn:4:199724:226844,CC(C)(C)OC(=O)N1CCC(Oc2cc(-c3ccnc(C(=O)C(F)(F)F)c3)cc(F)c2[N+](=O)[O-])CC1,IEDNKYYPIRWEJU-UHFFFAOYSA-N
-rxn:4:199726:222423,COc1c(-c2cc(C#N)c(F)c(C(=O)C3CCN(C(=O)OC(C)(C)C)CC3)c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,ARZOROUXALWMNJ-UHFFFAOYSA-N
-rxn:4:199726:223179,CONC(=O)c1cc(-c2cc(C#N)c(F)c(C(=O)C3CCN(C(=O)OC(C)(C)C)CC3)c2)ccc1F,BKBNDHRXUOAPDJ-UHFFFAOYSA-N
-rxn:4:199739:223179,CONC(=O)c1cc(-c2ccc(C(=O)CN3CCN(C(=O)OC(C)(C)C)CC3)cc2)ccc1F,YUKJPPLHKWCYHQ-UHFFFAOYSA-N
-rxn:4:199741:223179,CONC(=O)c1cc(-c2cccc(CC(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)ccc1F,HKCBDAVETGYKNA-UHFFFAOYSA-N
-rxn:4:199742:223179,CONC(=O)c1cc(-c2ccccc2CC2(C#N)CCN(C(=O)OC(C)(C)C)CC2)ccc1F,NLASJEZVGMLASA-UHFFFAOYSA-N
-rxn:4:199743:223179,CONC(=O)c1cc(-c2cc(F)ccc2CC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)ccc1F,ZKTFJDWBSNKSDV-UHFFFAOYSA-N
-rxn:4:199743:223279,CC(C)(C)OC(=O)N1CCN(C(=O)Cc2ccc(F)cc2-c2cnc(C3CCCN3)nc2)CC1,ODOAMAHORGHKNZ-UHFFFAOYSA-N
-rxn:4:199759:226844,C[Si](C)(C)CCOC(=O)N1CCN(c2cccc(-c3ccnc(C(=O)C(F)(F)F)c3)c2)CC1,YBPOVSQMTASXLH-UHFFFAOYSA-N
-rxn:4:199760:223279,C[Si](C)(C)CCOC(=O)N1CCN(c2ccccc2-c2cnc(C3CCCN3)nc2)CC1,APEMZDNQXGCHLZ-UHFFFAOYSA-N
-rxn:4:199762:223279,CC(C)(C)OC(=O)N1CCN(CCc2cc(-c3cnc(C4CCCN4)nc3)ccc2Cl)CC1,BIJZIWIGOQOLIR-UHFFFAOYSA-N
-rxn:4:199763:223179,CONC(=O)c1cc(-c2cc(CCN3CCN(C(=O)OC(C)(C)C)CC3)ccc2F)ccc1F,MEPQPJJEWGHPLT-UHFFFAOYSA-N
-rxn:4:199766:223179,CONC(=O)c1cc(-c2ccccc2CS(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)ccc1F,WHKRQSVAZMOUPF-UHFFFAOYSA-N
-rxn:4:199766:226844,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)Cc2ccccc2-c2ccnc(C(=O)C(F)(F)F)c2)CC1,VUIQNAULIWIIPD-UHFFFAOYSA-N
-rxn:4:199766:228388,Cc1cnc(C(F)F)cc1-c1ccccc1CS(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,VHGMDEBGMPLPIA-UHFFFAOYSA-N
-rxn:4:199769:223279,COc1cc(Cl)c(-c2cnc(C3CCCN3)nc2)cc1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1,RTNGRHWQENJAQW-UHFFFAOYSA-N
-rxn:4:199769:226844,COc1cc(Cl)c(-c2ccnc(C(=O)C(F)(F)F)c2)cc1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1,SVOTUYIVVTXAOK-UHFFFAOYSA-N
-rxn:4:199771:223179,CONC(=O)c1cc(-c2ccc(C(F)(F)F)cc2CN2CCN(C(=O)OC(C)(C)C)CC2)ccc1F,FOFIDFVYAAAZTM-UHFFFAOYSA-N
-rxn:4:199772:222711,COc1ccc(CCC(=O)N2CCC(N3C(=O)CSC3=O)CC2)cc1-c1ccc(OC)c(S(=O)(=O)NC(C)(C)C)c1,IFYIFDMANWRLOQ-UHFFFAOYSA-N
-rxn:4:199776:223179,CONC(=O)c1cc(-c2ccc(OC)c(CCC(=O)N3CCC(N4C(=O)COC4=O)CC3)c2)ccc1F,NRTZWYUOLZZYCY-UHFFFAOYSA-N
-rxn:4:199776:223279,COc1ccc(-c2cnc(C3CCCN3)nc2)cc1CCC(=O)N1CCC(N2C(=O)COC2=O)CC1,JCTMZNDQGGSKAP-UHFFFAOYSA-N
-rxn:4:199778:223179,CONC(=O)c1cc(-c2cc(C(F)(F)F)cc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)ccc1F,PQCSCXHSMBBTEG-UHFFFAOYSA-N
-rxn:4:199778:226844,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cc(-c3ccnc(C(=O)C(F)(F)F)c3)cc(C(F)(F)F)c2)CC1,LSCBUXYRVKNNIF-UHFFFAOYSA-N
-rxn:4:199785:223179,CONC(=O)c1cc(-c2cnc(OCC3CCN(C(=O)OC(C)(C)C)CC3)cc2C)ccc1F,ZQUACDVVBGEZMN-UHFFFAOYSA-N
-rxn:4:199786:223279,COc1ccc(CN2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1cnc(C2CCCN2)nc1,QLGXEWDYCBUXOV-UHFFFAOYSA-N
-rxn:4:199790:226770,COC(=O)c1cc(-c2cc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)ccc2OC)c(F)cc1Cl,GYFMDHHOVQNIOU-UHFFFAOYSA-N
-rxn:4:199794:223557,Cc1nn(C(C)(C)C)c(OC(=O)c2cccc(-c3c(F)ccc4c3ccn4[Si](C(C)C)(C(C)C)C(C)C)c2)c1Sc1ccccc1,NNVXTJGRXTZJBN-UHFFFAOYSA-N
-rxn:4:199794:223885,Cc1nn(C(C)(C)C)c(OC(=O)c2cccc(-c3ccc4c(c3)CN(C(=O)OC(C)(C)C)CC4)c2)c1Sc1ccccc1,QIMIDTAMPOGXEU-UHFFFAOYSA-N
-rxn:4:199801:223179,CONC(=O)c1cc(-c2ccc(N(C(=O)c3ccc(S(=O)(=O)N(C)C)cc3)C3C=CS(=O)(=O)C3)cc2)ccc1F,OFBUCDSFFQUIPF-UHFFFAOYSA-N
-rxn:4:199809:226844,CN(C(=O)C1CCN(C(=O)OC(C)(C)C)CC1)c1cccc(-c2ccnc(C(=O)C(F)(F)F)c2)c1,WAOWLUWTEWCTOB-UHFFFAOYSA-N
-rxn:4:199810:223179,CONC(=O)c1cc(-c2ccccc2N(C)C(=O)C2CCN(C(=O)OC(C)(C)C)CC2)ccc1F,WJXDAPQAFMTDFF-UHFFFAOYSA-N
-rxn:4:199821:223179,CCOc1ccc(N=C2SC(=Cc3ccc(OC)c(-c4ccc(F)c(C(=O)NOC)c4)c3)C(=O)N2CC)cc1,UZKYIKWBSFDRDY-UHFFFAOYSA-N
-rxn:4:199821:223279,CCOc1ccc(N=C2SC(=Cc3ccc(OC)c(-c4cnc(C5CCCN5)nc4)c3)C(=O)N2CC)cc1,XMSUQCNGCMHSQT-UHFFFAOYSA-N
-rxn:4:199821:226844,CCOc1ccc(N=C2SC(=Cc3ccc(OC)c(-c4ccnc(C(=O)C(F)(F)F)c4)c3)C(=O)N2CC)cc1,ASTAZSRUICZRIG-UHFFFAOYSA-N
-rxn:4:199825:223179,CONC(=O)c1cc(-c2ccc(CN(C)C(=O)OC(C)(C)C)c(N3CCCCC3)c2)ccc1F,VOIUCTYSZFMVGC-UHFFFAOYSA-N
-rxn:4:199827:223179,CONC(=O)c1cc(-c2ccc(CCN3CCN(C(=O)OC(C)(C)C)CC3C)cc2)ccc1F,IUVNQJACMWASTL-UHFFFAOYSA-N
-rxn:4:199827:226844,CC1CN(C(=O)OC(C)(C)C)CCN1CCc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1,GFTKKCFMOVYFNC-UHFFFAOYSA-N
-rxn:4:199828:223279,CN(Cc1c(Cl)cccc1-c1cnc(C2CCCN2)nc1)C1CCN(C(=O)OC(C)(C)C)CC1,LQEIBTDWUUWELC-UHFFFAOYSA-N
-rxn:4:199830:226844,CC1CN(C(=O)OC(C)(C)C)CCN1CCc1cc(-c2ccnc(C(=O)C(F)(F)F)c2)ccc1Cl,LCYAZAVMTXVJFW-UHFFFAOYSA-N
-rxn:4:199831:223179,CONC(=O)c1cc(-c2ccc(F)c(CCN3CCN(C(=O)OC(C)(C)C)C[C@H]3C)c2)ccc1F,AQWRCYORCKCUTL-QGZVFWFLSA-N
-rxn:4:199831:226258,CCCOC(=O)c1cccc(-c2ccc(F)c(CCN3CCN(C(=O)OC(C)(C)C)C[C@H]3C)c2)c1,PXOGTVXZUCONBK-HXUWFJFHSA-N
-rxn:4:199831:226844,C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1CCc1cc(-c2ccnc(C(=O)C(F)(F)F)c2)ccc1F,QKVMCNYGEGBEEU-MRXNPFEDSA-N
-rxn:4:199832:224318,CC1CN(CCc2cc(F)ccc2-c2ccc(C(=O)N3CCN(C)CC3)c(F)c2)CCN1C(=O)OC(C)(C)C,QRPPLQBJCWQBFR-UHFFFAOYSA-N
-rxn:4:199832:226844,CC1CN(CCc2cc(F)ccc2-c2ccnc(C(=O)C(F)(F)F)c2)CCN1C(=O)OC(C)(C)C,WHUHYXOTXJVSDW-UHFFFAOYSA-N
-rxn:4:199833:226844,CC1CN(CCc2cc(-c3ccnc(C(=O)C(F)(F)F)c3)ccc2F)CCN1C(=O)OC(C)(C)C,GXACSTIXPLMRHT-UHFFFAOYSA-N
-rxn:4:199834:223179,CONC(=O)c1cc(-c2cc(CCN3CCN(C(=O)OC(C)(C)C)C(C)C3)ccc2F)ccc1F,AMRVNNOTLCGFRN-UHFFFAOYSA-N
-rxn:4:199834:226844,CC1CN(CCc2ccc(F)c(-c3ccnc(C(=O)C(F)(F)F)c3)c2)CCN1C(=O)OC(C)(C)C,BGULZDGCXCWOPV-UHFFFAOYSA-N
-rxn:4:199840:223179,CONC(=O)c1cc(-c2ccc(C3CCCN3C(=O)C3CN(C(=O)OC(C)(C)C)C3)cc2)ccc1F,SDDIZLIYHCUAKP-UHFFFAOYSA-N
-rxn:4:199840:223279,CC(C)(C)OC(=O)N1CC(C(=O)N2CCCC2c2ccc(-c3cnc(C4CCCN4)nc3)cc2)C1,SZPKODZFRDINIY-UHFFFAOYSA-N
-rxn:4:199841:223179,CONC(=O)c1cc(-c2ccc(C(F)(F)F)cc2CN2CCN(C(=O)OC(C)(C)C)C(C)C2)ccc1F,OKCXJHYSLZOIKZ-UHFFFAOYSA-N
-rxn:4:199846:223179,CCOc1ccc(-c2ccc(F)c(C(=O)NOC)c2)cc1S(=O)(=O)N1CCN(c2ccccc2OC)CC1,IRZMTVLXQQMTPF-UHFFFAOYSA-N
-rxn:4:199850:223279,COc1cc(C(=O)N2C(=S)C(c3ccc(-c4cnc(C5CCCN5)nc4)cc3)=NC2(C)C)cc(OC)c1OC,CMMIFROCFSLAOA-UHFFFAOYSA-N
-rxn:4:199850:226844,COc1cc(C(=O)N2C(=S)C(c3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3)=NC2(C)C)cc(OC)c1OC,GOLCXYNQSKBLCG-UHFFFAOYSA-N
-rxn:4:199853:223279,CC(C)(C)[Si](C)(C)OCC1CCN(Cc2cc(-c3cnc(C4CCCN4)nc3)cnc2Cl)C1,QMZIVUXWBOFPER-UHFFFAOYSA-N
-rxn:4:199853:226844,CC(C)(C)[Si](C)(C)OCC1CCN(Cc2cc(-c3ccnc(C(=O)C(F)(F)F)c3)cnc2Cl)C1,DJBKNIFMHIALCS-UHFFFAOYSA-N
-rxn:4:199858:224060,COc1c(C(C)(C)C)cc(-c2ccc(C(=O)Oc3c(Sc4ccc(C)cc4)c(C)nn3C(C)(C)C)cc2)cc1C(C)(C)C,QWZJKXAYIIQZBJ-UHFFFAOYSA-N
-rxn:4:199860:223179,CCCOc1cc(S(=O)(=O)N2CCN(c3ccc(C)cc3)CC2)ccc1-c1ccc(F)c(C(=O)NOC)c1,DWKIJXYJPUQLGD-UHFFFAOYSA-N
-rxn:4:199866:228444,O=C(C(=Cc1ccc(-c2ccc(-c3ccc(Cl)c(C(F)F)c3)cc2)o1)C(=O)N1CCOCC1)N1CCOCC1,ISFZYZKIRSABOO-UHFFFAOYSA-N
-rxn:4:199868:223179,CONC(=O)c1cc(-c2ccc(C3=NC4(CCCC4)N(C(=O)c4cc(OC)c(OC)c(OC)c4)C3=S)cc2)ccc1F,TVYAJDJWSDXCCP-UHFFFAOYSA-N
-rxn:4:199869:224011,CCCOc1ccc(-c2ccc(S(=O)(=O)N3CCN(C)CC3)c(F)c2)cc1S(=O)(=O)N1CCN(c2cccc(C)c2C)CC1,SAFAZGDQHLIMEF-UHFFFAOYSA-N
-rxn:4:199869:226844,CCCOc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1S(=O)(=O)N1CCN(c2cccc(C)c2C)CC1,WZQGBOFVTVNONY-UHFFFAOYSA-N
-rxn:4:199870:226844,CCCOc1cc(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)ccc1-c1ccnc(C(=O)C(F)(F)F)c1,IXACVHUSMIELTP-UHFFFAOYSA-N
-rxn:4:199877:223179,CONC(=O)c1cc(-c2ccc(C3=NC4(CCCCC4)N(C(=O)c4cc(OC)c(OC)c(OC)c4)C3=S)cc2)ccc1F,LCEPFYOCIQJOSW-UHFFFAOYSA-N
-rxn:4:199879:223179,CONC(=O)c1cc(-c2cc(CN3CCN(C(=O)OC(C)(C)C)C[C@H]3C)cc(C(C)(C)C)c2)ccc1F,PPFXEHGJSNSDOW-LJQANCHMSA-N
-rxn:4:199880:222673,COc1cc(C)c(-c2cc(C(=O)NC3CCCCC3)ccc2Cl)cc1S(=O)(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1,PLLKDCWKNYVBMR-UHFFFAOYSA-N
-rxn:4:199881:223179,CONC(=O)c1cc(-c2ccc(C3=NC4(CCCCCC4)N(C(=O)c4cc(OC)c(OC)c(OC)c4)C3=S)cc2)ccc1F,VUENLWFSWGMNNT-UHFFFAOYSA-N
-rxn:4:199882:223179,CONC(=O)c1cc(-c2cc(CN3C[C@H](C)N(C(=O)OC(C)(C)C)C[C@H]3C)cc(C(C)(C)C)c2)ccc1F,BNCSIJDITMVEBI-UXHICEINSA-N
-rxn:4:199883:223852,CC(C)(C)OC(=O)N1CCC(C)(N2CCC(C(=O)c3ccc(-c4cccc5c4oc4ccc6ccccc6c45)cc3)CC2)CC1,CNVWZHCYEGTJKY-UHFFFAOYSA-N
-rxn:4:199957:223179,CONC(=O)c1cc(-c2ccc3ccn(CC(=O)N4CCC(CC(=O)OC)CC4)c3c2)ccc1F,MOQVJPQLAPHWAN-UHFFFAOYSA-N
-rxn:4:199960:223179,CCOC(=O)C1CCN(C(=O)Cn2ccc3cc(-c4ccc(F)c(C(=O)NOC)c4)ccc32)CC1,OLZHJQNPNBXXSF-UHFFFAOYSA-N
-rxn:4:199965:226844,CCOCCCN1C(=O)C(=C2C(=O)N(CC)c3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc32)SC1=S,DCOARPMSHQNCSP-UHFFFAOYSA-N
-rxn:4:199966:226844,CCCCN1C(=O)C(=C2SC(=S)N(CCOC)C2=O)c2cc(-c3ccnc(C(=O)C(F)(F)F)c3)ccc21,VHZHLDFFBKPGJQ-UHFFFAOYSA-N
-rxn:4:199967:223279,COCCOC(=O)C1=C(C)N=C2SC(C)C(=O)N2C1c1ccc(-c2cnc(C3CCCN3)nc2)cc1,AKEFLSREXXPJNX-UHFFFAOYSA-N
-rxn:4:199967:226844,COCCOC(=O)C1=C(C)N=C2SC(C)C(=O)N2C1c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1,GJNGPJYFXMFBAE-UHFFFAOYSA-N
-rxn:4:199981:226844,CCCCCCN1C(=O)C(=C2C(=O)N(CC)c3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc32)SC1=S,OTGGJXJUCFQCQB-UHFFFAOYSA-N
-rxn:4:199982:226844,CCCCCN1C(=O)C(=C2SC(=S)N(CCC)C2=O)c2cc(-c3ccnc(C(=O)C(F)(F)F)c3)ccc21,YBKHKYVUDYLJBT-UHFFFAOYSA-N
-rxn:4:199983:226844,CCCCN1C(=O)C(=C2C(=O)N(CCCC)c3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc32)SC1=S,JDQWVHWMIREBMP-UHFFFAOYSA-N
-rxn:4:199993:226844,CCOC(=O)C1=C(C)N=C2SC(CC)C(=O)N2C1c1cc(-c2ccnc(C(=O)C(F)(F)F)c2)ccc1OC,HAQAQWXPSYEQBS-UHFFFAOYSA-N
-rxn:4:199999:223279,CC(C)(C)OC(=O)N=c1c2ccc(-c3cnc(C4CCCN4)nc3)cc2ccn1C(=O)OC(C)(C)C,LPHDPTGXDJJIIE-UHFFFAOYSA-N
-rxn:4:199999:225451,CC(C)(C)OC(=O)N=c1c2ccc(-c3ccc(SC4CCCCC4)cc3)cc2ccn1C(=O)OC(C)(C)C,SLBSXHGXQGOZDT-UHFFFAOYSA-N
-rxn:4:200007:223279,CCCCCN1C(=O)C(=C2SC(=S)N(CC(C)C)C2=O)c2cc(-c3cnc(C4CCCN4)nc3)ccc21,XXWAMDVANOTAQO-UHFFFAOYSA-N
-rxn:4:200016:226844,O=C(COc1cccc2c1CCN(Cc1ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc1)C2=O)N1CCCC1,LWNKMDYZWQJMMK-UHFFFAOYSA-N
-rxn:4:200017:223974,CC1CCN(c2ccc(-c3ccccc3CCC(=O)N3CCC(Oc4cccc5cccnc45)CC3)c(C(F)(F)F)c2)CC1,QCEIPHDYBWAQJF-UHFFFAOYSA-N
-rxn:4:200019:223179,CCCCCCN1C(=O)C(=C2SC(=S)N(c3ccc(-c4ccc(F)c(C(=O)NOC)c4)cc3)C2=O)c2ccccc21,HMSJHPVASSCAIE-UHFFFAOYSA-N
-rxn:4:200019:223279,CCCCCCN1C(=O)C(=C2SC(=S)N(c3ccc(-c4cnc(C5CCCN5)nc4)cc3)C2=O)c2ccccc21,SYSBMZNTJFSPRL-UHFFFAOYSA-N
-rxn:4:200021:223279,CCCCCN1C(=O)C(=C2SC(=S)N(CC3CCCO3)C2=O)c2cc(-c3cnc(C4CCCN4)nc3)ccc21,ULEUPJVTRYOEDG-UHFFFAOYSA-N
-rxn:4:200022:226844,O=C(OCc1ccccc1)N1CCC(CN2C(=O)COc3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc32)CC1,IFOLYBKWYQRKAV-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:4:200025:226844,CCCCN1C(=O)C(=C2SC(=S)N(Cc3ccc(OC)cc3)C2=O)c2cc(-c3ccnc(C(=O)C(F)(F)F)c3)ccc21,KRIPUTACUJYSJG-UHFFFAOYSA-N
-rxn:4:200031:223179,CONC(=O)c1cc(-c2cc3c(c(S(=O)(=O)CCC(=O)N4CCc5ccccc5C4)c2)N(C(C)=O)CC3)ccc1F,SZDCYSXEOFEYCO-UHFFFAOYSA-N
-rxn:4:200031:226844,CC(=O)N1CCc2cc(-c3ccnc(C(=O)C(F)(F)F)c3)cc(S(=O)(=O)CCC(=O)N3CCc4ccccc4C3)c21,UUEPYSYCWLATDN-UHFFFAOYSA-N
-rxn:4:200033:223179,CONC(=O)c1cc(-c2cnc3cc(CN4CCC(CO[Si](C)(C)C(C)(C)C)C4)oc3c2)ccc1F,IECNGJYSCZSDKP-UHFFFAOYSA-N
-rxn:4:200056:223179,CONC(=O)c1cc(-c2cccc(C(=O)OCCN3C(=O)c4cccc5c(N6CCOCC6)ccc(c45)C3=O)c2)ccc1F,QVYCMZGNHCMRTI-UHFFFAOYSA-N
-rxn:4:200063:223179,CONC(=O)c1cc(-c2ccccc2C(=O)OCCN2C(=O)c3cccc4c(N5CCCCC5)ccc(c34)C2=O)ccc1F,NCCZYECGTZOOIG-UHFFFAOYSA-N
-rxn:4:200066:223179,CCOc1ccc(C2=NN3C(C2)c2cc(-c4ccc(F)c(C(=O)NOC)c4)ccc2OC3c2ccc(OC)c(OC)c2)cc1,AMEUVMXDJLZJRF-UHFFFAOYSA-N
-rxn:4:200155:224010,CCOC(=O)Cc1c(-c2cc(S(=O)(=O)N3CCOCC3)ccc2OC)cncc1[N+](=O)[O-],RUAVDLDSZQOMNQ-UHFFFAOYSA-N
-rxn:4:200202:223595,COC(=O)c1ccn(COc2ccc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)c(F)c3)cc2Cl)n1,ZGQMJJRWHFDQSZ-UHFFFAOYSA-N
-rxn:4:200298:223885,CC(C)N(C(=O)Oc1ccc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3)nc1)C(C)C,ODNBXPOCVVFCIW-UHFFFAOYSA-N
-rxn:4:200304:224286,COC(=O)C(C)(C)N(C)c1ccc(-c2ccc(OCCN3CCOCC3)c(Cl)c2)cc1[N+](=O)[O-],QNIIIBGPLSVZTO-UHFFFAOYSA-N
-rxn:4:200304:224359,CCN(CC)C(=O)c1cc(-c2ccc(N(C)C(C)(C)C(=O)OC)c([N+](=O)[O-])c2)cc([N+](=O)[O-])c1,USHOMHYNCQJIES-UHFFFAOYSA-N
-rxn:4:200339:223179,CONC(=O)c1cc(-c2cc([N+](=O)[O-])ccc2OCCN2CCCC(F)(F)C2)ccc1F,HFCLWPPDKHMMOX-UHFFFAOYSA-N
-rxn:4:200340:226844,O=C(c1cc(-c2cc([N+](=O)[O-])ccc2OCCN2CCC(F)(F)CC2)ccn1)C(F)(F)F,SYVVIUBBQNYRGI-UHFFFAOYSA-N
-rxn:4:200347:223491,CC(C)(C)OC(=O)N1CCN(c2cc(-c3ccc(Sc4nc(-c5cccc(C(F)(F)F)c5)ccc4C#N)cc3)cc(C(F)(F)F)c2)CC1,SCTGZSWOZCAIMS-UHFFFAOYSA-N
-rxn:4:200355:224713,CCCCOc1ccc(-c2cc(C(=O)OC)n(CCC3CCCCC3)n2)c(C(F)(F)F)c1,NBZAFSLCLIQXLT-UHFFFAOYSA-N
-rxn:4:200384:223179,CONC(=O)c1cc(-c2ccccc2CCC(=O)N2CC(N3C(=O)COC3=O)C2)ccc1F,PVQQRTNSXWOUMW-UHFFFAOYSA-N
-rxn:4:200384:223279,O=C(CCc1ccccc1-c1cnc(C2CCCN2)nc1)N1CC(N2C(=O)COC2=O)C1,MXKRWOGKNLAYDX-UHFFFAOYSA-N
-rxn:4:200384:225330,COC(=O)c1cc(-c2ccccc2CCC(=O)N2CC(N3C(=O)COC3=O)C2)cc(C(=O)OC)n1,JVJGNVVHEDLLLW-UHFFFAOYSA-N
-rxn:4:200424:224170,COC(=O)CCN1CCN(c2ccc(-c3ccc(OCCCN4CCCC4)c(Cl)c3)cc2)CC1,PRGBRBHQHPXBHC-UHFFFAOYSA-N
-rxn:4:200431:223179,CONC(=O)c1cc(-c2ccc(C(=O)N3CCC(CSC4=NCCS4)CC3)o2)ccc1F,JZOQASMIWBFPAI-UHFFFAOYSA-N
-rxn:4:200431:225257,CCOC(=O)COc1cc(F)cc(-c2ccc(C(=O)N3CCC(CSC4=NCCS4)CC3)o2)c1,YANWIVYBGIXALM-UHFFFAOYSA-N
-rxn:4:200440:222777,CCN1CCN(C(=O)c2cc(OC(F)(F)F)cc(-c3ccc(CN4CCC(O)CC4)c(Cl)c3)c2)CC1,QKPBAFOGJQUPIH-UHFFFAOYSA-N
-rxn:4:200474:226844,CC(C)(C)OC(=O)N1CCC(Oc2nc(-c3ccnc(C(=O)C(F)(F)F)c3)cs2)CC1,JUIYTKMBWGETOS-UHFFFAOYSA-N
-rxn:4:200482:226844,CCN1CCN(Cc2ccc(OC(F)(F)F)c(-c3ccnc(C(=O)C(F)(F)F)c3)c2)CC1,UKQBXHYOVNWEQE-UHFFFAOYSA-N
-rxn:4:200492:223179,CONC(=O)c1cc(-c2ccccc2CCC(=O)N2CC(N3C(=O)CCC3=O)C2)ccc1F,NFEQSEFECNKQNQ-UHFFFAOYSA-N
-rxn:4:200492:223279,O=C(CCc1ccccc1-c1cnc(C2CCCN2)nc1)N1CC(N2C(=O)CCC2=O)C1,VSQDJPNNWLEOHB-UHFFFAOYSA-N
-rxn:4:200513:223761,CC(C)(C)OC(=O)N1CCCC1c1ccc(-c2ccc(Cl)c(C(=O)N3CCC(Oc4cc(C(F)(F)F)ccn4)C3)c2)cc1,PSFZZHXKJASUDX-UHFFFAOYSA-N
-rxn:4:200519:226844,CC(C)(C)OC(=O)[C@@H]1CCCN1C(=O)c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cn1,MTXCCFRFIRCYDB-KRWDZBQOSA-N
-rxn:4:200563:223179,CONC(=O)c1cc(-c2ccccc2C(=O)N2CCC(CSC3=NCCS3)CC2)ccc1F,VUMSMWOZNORBOI-UHFFFAOYSA-N
-rxn:4:200563:223279,O=C(c1ccccc1-c1cnc(C2CCCN2)nc1)N1CCC(CSC2=NCCS2)CC1,BCJLYIVZRSVDOA-UHFFFAOYSA-N
-rxn:4:200564:223279,O=C(c1cccc(-c2cnc(C3CCCN3)nc2)c1)N1CCC(CSC2=NCCS2)CC1,PCZNAIQCMXUERF-UHFFFAOYSA-N
-rxn:4:200566:226844,CCOc1cc(S(=O)(=O)N2CCN(C(C)=O)CC2)ccc1-c1ccnc(C(=O)C(F)(F)F)c1,ZTPBILUQTLFWTI-UHFFFAOYSA-N
-rxn:4:200568:223179,CCOc1ccc(-c2ccc(F)c(C(=O)NOC)c2)cc1S(=O)(=O)N1CCN(C(C)=O)CC1,YOUHIZFLPUWQMW-UHFFFAOYSA-N
-rxn:4:200568:226844,CCOc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1S(=O)(=O)N1CCN(C(C)=O)CC1,LGEBEXWJYSUWDC-UHFFFAOYSA-N
-rxn:4:200573:226844,O=C(c1cc(-c2ccnc(C(=O)C(F)(F)F)c2)ccc1Cl)N1CCC(CSC2=NCCS2)CC1,MCVITXWVPBOHKZ-UHFFFAOYSA-N
-rxn:4:200575:225199,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3cc(F)c(OC4CCCC4)c(F)c3)c(C(F)(F)F)n2)C1,NTPFXRPZOCBQDW-UHFFFAOYSA-N
-rxn:4:200575:226844,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)c(C(F)(F)F)n2)C1,YZDPGGMDYCUUMH-UHFFFAOYSA-N
-rxn:4:200589:224590,COc1ccc(S(=O)(=O)N2CCC(Oc3ncccc3-c3ccc(CN4CCC(C)CC4)cc3F)C2)cc1F,VEQGJXZQHOXMRJ-UHFFFAOYSA-N
-rxn:4:200601:223179,CONC(=O)c1cc(-c2ccc(C(=O)N(C(=O)N3CCCCC3)C(C)(C)C)o2)ccc1F,XDYJLZNRBSJZQG-UHFFFAOYSA-N
-rxn:4:200601:223279,CC(C)(C)N(C(=O)c1ccc(-c2cnc(C3CCCN3)nc2)o1)C(=O)N1CCCCC1,GHWXZPBOTGUITN-UHFFFAOYSA-N
-rxn:4:200604:223179,CONC(=O)c1cc(-c2cncc(O[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)c2)ccc1F,IZCWCYRXSXVWJJ-QGZVFWFLSA-N
-rxn:4:200610:223279,CC(C)(C)OC(=O)N1CCC(Oc2ncc(-c3cnc(C4CCCN4)nc3)cc2F)CC1,UGAKWJDCKCGENJ-UHFFFAOYSA-N
-rxn:4:200611:226844,CC(C)(C)OC(=O)N1CCCC(Oc2ncc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2F)C1,GKYFMKAWDABOIM-UHFFFAOYSA-N
-rxn:4:200612:223790,CCOC(=O)c1cnn(-c2cccc(-c3cncc(C4CCCN4C(=O)OC(C)(C)C)c3)c2)c1C1CCOCC1,YTGRDHRYVVLYGB-UHFFFAOYSA-N
-rxn:4:200615:223179,CONC(=O)c1cc(-c2cc(OC)c(S(=O)(=O)N3CCN(C(C)=O)CC3)cc2OC)ccc1F,UIBCIWGBHYCAEC-UHFFFAOYSA-N
-rxn:4:200631:223279,O=C(CCN1C(=O)C(=Cc2cccc(-c3cnc(C4CCCN4)nc3)c2)SC1=S)N1CCOCC1,FXBOEVSSKBCAAQ-UHFFFAOYSA-N
-rxn:4:200635:223792,COC(=O)C1CCN(C(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCN(C(=O)c5ccco5)CC4)cc3OC)cc2)CC1,JWHPMIJRLWAYRP-UHFFFAOYSA-N
-rxn:4:200650:223047,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccccc2-c2cc(F)cc(C(=O)NC3CC3)c2)CC1,HWROKGSYZSFCPF-UHFFFAOYSA-N
-rxn:4:200650:223179,CONC(=O)c1cc(-c2ccccc2C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)ccc1F,QSAOISCNCGOZLA-UHFFFAOYSA-N
-rxn:4:200652:223179,CONC(=O)c1cc(-c2cccc(C3(C#N)CCN(C(=O)OC(C)(C)C)CC3)c2)ccc1F,KDHVFOZLYRFGGK-UHFFFAOYSA-N
-rxn:4:200654:223279,CC(C)(C)OC(=O)N1CCCC(c2cc(C#N)cc(-c3cnc(C4CCCN4)nc3)c2)C1,CDFRHVSQMASWAQ-UHFFFAOYSA-N
-rxn:4:200655:226844,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2C#N)CC1,GYOJVWQMDVCRNT-UHFFFAOYSA-N
-rxn:4:200662:223179,CONC(=O)c1cc(-c2ccccc2CCC(=O)N2CCC(N3C(=O)CSC3=O)CC2)ccc1F,CEJBUHJRXCHHFA-UHFFFAOYSA-N
-rxn:4:200669:223832,COc1ccc(-c2cc(S(=O)(=O)N3CCC(C)CC3)ccc2OC)c(C(=O)N2CCC(Oc3ccccn3)CC2)c1,QTADAWGKQMNUCT-UHFFFAOYSA-N
-rxn:4:200692:223179,CONC(=O)c1cc(-c2ccc(N3CCN(CC(=O)OC(C)(C)C)CC3)cc2)ccc1F,MOOWNDIENYHZHU-UHFFFAOYSA-N
-rxn:4:200694:223179,CONC(=O)c1cc(-c2cc(C(C)C)ccc2OCC(=O)N2CCN(C)CC2)ccc1F,XUUVHZRTTHXHPW-UHFFFAOYSA-N
-rxn:4:200696:223179,CONC(=O)c1cc(-c2cccc(CN3CCN(C(=O)OC(C)(C)C)CC3)c2)ccc1F,RJRXIEMPXZLLKT-UHFFFAOYSA-N
-rxn:4:200697:223179,CONC(=O)c1cc(-c2ccccc2CN2CCN(C(=O)OC(C)(C)C)CC2)ccc1F,ZCDWLJQTVYBMTO-UHFFFAOYSA-N
-rxn:4:200700:226844,CC(C)(C)OC(=O)N1CCN(Cc2cc(Cl)cc(-c3ccnc(C(=O)C(F)(F)F)c3)c2)CC1,ICCMBTVMTGLMHT-UHFFFAOYSA-N
-rxn:4:200702:227232,CC(C)(C)OC(=O)N1CCN(Cc2ccc(Cl)c(-c3cccnc3OCC3CC3)c2)CC1,BWJSFVBPUIJXOF-UHFFFAOYSA-N
-rxn:4:200709:223179,CONC(=O)c1cc(-c2ccc(F)c(CN3CCN(C(=O)OC(C)(C)C)CC3)c2)ccc1F,QBEPUAOEHYZCBW-UHFFFAOYSA-N
-rxn:4:200710:223179,CONC(=O)c1cc(-c2cc(F)cc(CN3CCN(C(=O)OC(C)(C)C)CC3)c2)ccc1F,NGPIUUBBZQUEFM-UHFFFAOYSA-N
-rxn:4:200712:226844,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)ccc2-c2ccnc(C(=O)C(F)(F)F)c2)CC1,WZHRVAUUJDGPRT-UHFFFAOYSA-N
-rxn:4:200716:226844,CCOC(=O)N1CCN(S(=O)(=O)c2cc(C)c(C)cc2-c2ccnc(C(=O)C(F)(F)F)c2)CC1,ZYURDTXEHMASKX-UHFFFAOYSA-N
-rxn:4:200717:223179,CCOC(=O)N1CCN(S(=O)(=O)c2cc(C)c(-c3ccc(F)c(C(=O)NOC)c3)cc2C)CC1,FKNSZOZERVBCGY-UHFFFAOYSA-N
-rxn:4:200722:223279,CC(C)(C)OC(=O)N1CCC(S(=O)(=O)c2ccc(-c3cnc(C4CCCN4)nc3)cn2)CC1,FANFCAGHZLIJEF-UHFFFAOYSA-N
-rxn:4:200724:224579,Cc1cn(-c2ccc(C3CC3)c(-c3ccc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c(Cl)c3)c2)cn1,WEZARKVCBSHYNE-UHFFFAOYSA-N
-rxn:4:200725:223179,CONC(=O)c1cc(-c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)cc(C(F)(F)F)c2)ccc1F,UTPGSXLRYZJVQX-UHFFFAOYSA-N
-rxn:4:200726:223279,CC(C)(C)OC(=O)N1CCN(c2ccc(C(F)(F)F)cc2-c2cnc(C3CCCN3)nc2)CC1,DSXJSATZHKLBCJ-UHFFFAOYSA-N
-rxn:4:200730:223179,CONC(=O)c1cc(-c2cccc(N3CCN(C(=O)OC(C)(C)C)CC3)c2C(F)(F)F)ccc1F,SAVGFPGASTWFLY-UHFFFAOYSA-N
-rxn:4:200734:226844,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)c(F)c2)CC1,IVXJITFKERCHEI-UHFFFAOYSA-N
-rxn:4:200745:222948,CC(C)(C)OC(=O)c1cc(C2=NOC(c3ccccn3)C2)cc(-c2cnc(N3CCC(O)CC3)nc2Cl)c1,HBFFBRKCBCROHK-UHFFFAOYSA-N
-rxn:4:200755:223179,CONC(=O)c1cc(-c2cc(OC)nc(C3CCCN(C(=O)OC(C)(C)C)C3)c2)ccc1F,YLTHVMNEIRJLAD-UHFFFAOYSA-N
-rxn:4:200760:222947,Cc1cc(OC2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1cnc(N2CCCC(O)C2)nc1Cl,JFLKCLOYTSVXSR-UHFFFAOYSA-N
-rxn:4:200760:223279,Cc1cc(OC2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1cnc(C2CCCN2)nc1,NVGBGWDOEQWBLC-UHFFFAOYSA-N
-rxn:4:200761:223279,COc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1-c1cnc(C2CCCN2)nc1,ZUEDWJVEMWBBJN-UHFFFAOYSA-N
-rxn:4:200764:223179,CONC(=O)c1cc(-c2ccc(CN3CC4(C3)CN(C(=O)OC(C)(C)C)C4)c(F)c2)ccc1F,QLRRSIUKVCLPFB-UHFFFAOYSA-N
-rxn:4:200773:224246,COc1ccc(OC)c(C2CC(c3ccc(-c4ccc(C(=O)N5CCC(C)CC5)c(F)c4)cc3)=NN2S(C)(=O)=O)c1,MBXPUUXCUHZFJP-UHFFFAOYSA-N
-rxn:4:200780:226844,COc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)c(C(=O)N2CC(N3CCC(OC)CC3)C2)c1,NWECWDOQVYVIIX-UHFFFAOYSA-N
-rxn:4:200781:223279,Cc1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c(-c2cnc(C3CCCN3)nc2)c1,PHAAUTHFUOWNDO-UHFFFAOYSA-N
-rxn:4:200783:223279,Cc1cc(-c2cnc(C3CCCN3)nc2)ccc1C1(C#N)CCN(C(=O)OC(C)(C)C)CC1,WIEHIYJQJDMIPI-UHFFFAOYSA-N
-rxn:4:200783:227052,Cc1cc(-c2ccc(SC(C)(C)C)cc2)ccc1C1(C#N)CCN(C(=O)OC(C)(C)C)CC1,FUNWVBDVXCSCNR-UHFFFAOYSA-N
-rxn:4:200789:224771,Cc1ccc(-c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3C)cc2F)cc1S(=O)(=O)N1CCCC1,POZUDSIPFKYTIM-UHFFFAOYSA-N
-rxn:4:200789:228347,CC1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1ccc(-c2cnc(N3CCC3)nc2)c(F)c1,HUMXPDLSSTVEEZ-UHFFFAOYSA-N
-rxn:4:200801:222807,Cc1cnccc1OCC1CCN(S(=O)(=O)c2ccccc2-c2cc(C(=O)NC3CC3)cc([N+](=O)[O-])c2)CC1,NETSVMJEDCQONN-UHFFFAOYSA-N
-rxn:4:200801:224703,Cc1cnccc1OCC1CCN(S(=O)(=O)c2ccccc2-c2cc(C3CCCC3)cc(C(F)(F)F)c2)CC1,BMIVVMBJUJBIDF-UHFFFAOYSA-N
-rxn:4:200804:226844,COc1ccc(C(=O)N2C(=S)C(c3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3)=NC2(C)C)cc1OC,DUHSBDOOCDASDX-UHFFFAOYSA-N
-rxn:4:200811:223179,CONC(=O)c1cc(-c2cc(C(C)(C)C)ccc2OCC(=O)N2CCN(C)CC2)ccc1F,RUVZTJPNSFPSQX-UHFFFAOYSA-N
-rxn:4:200813:223179,CONC(=O)c1cc(-c2ccc(C(C)N3CCN(C(=O)OC(C)(C)C)CC3)cc2)ccc1F,JCXNIOMSXQNLCP-UHFFFAOYSA-N
-rxn:4:200814:223179,CONC(=O)c1cc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)c(C)c2)ccc1F,YTHVIURCYVRJCV-UHFFFAOYSA-N
-rxn:4:200815:223179,CONC(=O)c1cc(-c2cccc(C(C)N3CCN(C(=O)OC(C)(C)C)CC3)c2)ccc1F,PHGMEBGKCIHJCU-UHFFFAOYSA-N
-rxn:4:200819:226844,CC1CN(Cc2cc(F)cc(-c3ccnc(C(=O)C(F)(F)F)c3)c2)CCN1C(=O)OC(C)(C)C,GYMTUULKZGEJEC-UHFFFAOYSA-N
-rxn:4:200820:223179,CONC(=O)c1cc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)[C@H](C)C3)cc2F)ccc1F,SGJDHJZNGYTVKM-MRXNPFEDSA-N
-rxn:4:200822:223179,CONC(=O)c1cc(-c2cccc(S(=O)(=O)N3CCCN(C(=O)OC(C)(C)C)CC3)c2)ccc1F,GZLBKJIVFDUPFD-UHFFFAOYSA-N
-rxn:4:200823:226714,Cc1cc(-c2ccnn2C(=O)OC(C)(C)C)ccc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,RVGOQVOJXJDCIK-UHFFFAOYSA-N
-rxn:4:200824:223807,Cc1ccc(-c2ccc(OCc3cccc(C(F)(F)F)c3)cc2)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,XBKYHGRMOCSRTP-UHFFFAOYSA-N
-rxn:4:200826:223179,CONC(=O)c1cc(-c2cc(C)cc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)ccc1F,HDSJIRWFJRCTAO-UHFFFAOYSA-N
-rxn:4:200828:223279,CC1CN(C(=O)OC(C)(C)C)CCN1S(=O)(=O)c1cc(-c2cnc(C3CCCN3)nc2)c(F)cc1F,HMZRURLHINCHQH-UHFFFAOYSA-N
-rxn:4:200832:226844,COc1cc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c(OC)cc1-c1ccnc(C(=O)C(F)(F)F)c1,MWUNEVRTCALNCC-UHFFFAOYSA-N
-rxn:4:200835:223279,O=C1N=C(N2CCOCC2)SC1=Cc1cc(-c2cnc(C3CCCN3)nc2)ccc1OCc1ccc(Cl)cc1,KAKWEAOHPZBLSM-UHFFFAOYSA-N
-rxn:4:200835:226844,O=C1N=C(N2CCOCC2)SC1=Cc1cc(-c2ccnc(C(=O)C(F)(F)F)c2)ccc1OCc1ccc(Cl)cc1,IFOWOSJDPDWUNZ-UHFFFAOYSA-N
-rxn:4:200836:223179,CONC(=O)c1cc(-c2cccc(OC(C)C)c2CN2CCN(C(C)C)CC2)ccc1F,IYBZVXQQQGHRDD-UHFFFAOYSA-N
-rxn:4:200837:223179,CONC(=O)c1cc(-c2ccccc2CCC(=O)N2CCCN(C3CCSC3)CC2)ccc1F,LXLUUCXJYHOFNC-UHFFFAOYSA-N
-rxn:4:200837:226844,O=C(CCc1ccccc1-c1ccnc(C(=O)C(F)(F)F)c1)N1CCCN(C2CCSC2)CC1,VIRLPGYBYPRESX-UHFFFAOYSA-N
-rxn:4:200838:226844,O=C(CCc1ccccc1-c1ccnc(C(=O)C(F)(F)F)c1)N1CCCN(C2CCOC2)CC1,JDXRAILYISAAEK-UHFFFAOYSA-N
-rxn:4:200843:223279,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(C4CCCN4)nc3)c(C3CC3)c2)CC1,CJAIETSYHLDGQX-UHFFFAOYSA-N
-rxn:4:200845:223179,CONC(=O)c1cc(-c2cc(C3CC3)cc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)ccc1F,FDTXAORRLGUMDD-UHFFFAOYSA-N
-rxn:4:200845:226844,CC(C)(C)OC(=O)N1CCN(c2cc(-c3ccnc(C(=O)C(F)(F)F)c3)cc(C3CC3)c2)CC1,DJLSMYIHHDORNB-UHFFFAOYSA-N
-rxn:4:200846:224348,CC(C)(C)OC(=O)N1CCN(c2cc(C3CC3)ccc2-c2ccc(-c3cccc(C(F)(F)F)c3)nc2)CC1,HBBZIHRDMNBCAQ-UHFFFAOYSA-N
-rxn:4:200846:226844,CC(C)(C)OC(=O)N1CCN(c2cc(C3CC3)ccc2-c2ccnc(C(=O)C(F)(F)F)c2)CC1,QUJWZBFUVLUFCC-UHFFFAOYSA-N
-rxn:4:200847:223279,CC(C)(C)OC(=O)N1CCN(c2ccc(C3CC3)cc2-c2cnc(C3CCCN3)nc2)CC1,BVIFLSVAPVHGJT-UHFFFAOYSA-N
-rxn:4:200848:223279,CC(C)(C)OC(=O)N1CCN(c2ccc(C3CC3)c(-c3cnc(C4CCCN4)nc3)c2)CC1,IXJSIJZWTDVJIM-UHFFFAOYSA-N
-rxn:4:200848:226844,CC(C)(C)OC(=O)N1CCN(c2ccc(C3CC3)c(-c3ccnc(C(=O)C(F)(F)F)c3)c2)CC1,XOXYALBATDPXJL-UHFFFAOYSA-N
-rxn:4:200853:226844,COC(=O)C1CCN(Cc2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2N2CCOCC2)CC1,PZNWIHWKCROGOR-UHFFFAOYSA-N
-rxn:4:200856:223179,CONC(=O)c1cc(-c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)[C@@H](C)C3)cc2C)ccc1F,JILPMWKXEZEIGD-KRWDZBQOSA-N
-rxn:4:200857:223179,CONC(=O)c1cc(-c2cc(C(=O)N3CCN(C(=O)OC(C)(C)C)[C@H](C)C3)ccc2C)ccc1F,QZPXGQCTICHQOU-QGZVFWFLSA-N
-rxn:4:200857:226844,Cc1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)cc1-c1ccnc(C(=O)C(F)(F)F)c1,MGOVFUPDSUYFMN-MRXNPFEDSA-N
-rxn:4:200863:226844,Cc1cc(CN2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)ccc1-c1ccnc(C(=O)C(F)(F)F)c1,LGUGCBRTIZBAOM-KRWDZBQOSA-N
-rxn:4:200864:223179,CONC(=O)c1cc(-c2cccc(CN3C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@@H]3C)c2)ccc1F,ALDUKIKCRPOPEG-ZWKOTPCHSA-N
-rxn:4:200864:226844,C[C@@H]1CN(Cc2cccc(-c3ccnc(C(=O)C(F)(F)F)c3)c2)[C@@H](C)CN1C(=O)OC(C)(C)C,YRRZSTNITHHKLX-DLBZAZTESA-N
-rxn:4:200868:224842,CC(c1ccccc1-c1ccc2c(c1)C(C)(C)CCC2(C)C)N1CCN(C(=O)OC(C)(C)C)C(C)C1,IXRKHMSDIMJHLY-UHFFFAOYSA-N
-rxn:4:200868:226844,CC(c1ccccc1-c1ccnc(C(=O)C(F)(F)F)c1)N1CCN(C(=O)OC(C)(C)C)C(C)C1,OHPMSNBWCLYJDY-UHFFFAOYSA-N
-rxn:4:200869:223179,CONC(=O)c1cc(-c2cc(C)cc(CN3CCN(C(=O)OC(C)(C)C)C(C)C3)c2)ccc1F,OOKYLKMIUNUDNR-UHFFFAOYSA-N
-rxn:4:200869:225105,CCN(CC)C(=O)c1ccc(-c2cc(C)cc(CN3CCN(C(=O)OC(C)(C)C)C(C)C3)c2)cc1F,UZGUJHVPJLVSAE-UHFFFAOYSA-N
-rxn:4:200870:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2cc(CN3C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@@H]3C)ccc2F)cc1,ZPIHAIUWGXZSDR-VQTJNVASSA-N
-rxn:4:200871:223175,CCS(=O)(=O)Nc1cccc(-c2cc(C)c(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c(C)c2)c1,YXDRBWVTDSPOEH-UHFFFAOYSA-N
-rxn:4:200872:223179,CONC(=O)c1cc(-c2cc(C)cc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)[C@@H](C)C3)c2)ccc1F,LTEGGRGAFMESTP-KRWDZBQOSA-N
-rxn:4:200875:226844,COc1cc(S(=O)(=O)N2CCN(c3ccc(C)c(Cl)c3)CC2)c(OC)cc1-c1ccnc(C(=O)C(F)(F)F)c1,NSEBAQGQDIPXHE-UHFFFAOYSA-N
-rxn:4:200876:223279,COc1ccc(C(=O)N2C(=S)C(c3ccc(-c4cnc(C5CCCN5)nc4)cc3)=NC23CCCC3)cc1OC,OLGWMMWMDGNGHZ-UHFFFAOYSA-N
-rxn:4:200876:226844,COc1ccc(C(=O)N2C(=S)C(c3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3)=NC23CCCC3)cc1OC,OKRFHOIIZHKAGE-UHFFFAOYSA-N
-rxn:4:200877:223179,CONC(=O)c1cc(-c2ccc(C(=O)N3C(=S)C(c4cc(OC)cc(OC)c4)=NC34CCCC4)cc2)ccc1F,DDCAJLSXLNGFEZ-UHFFFAOYSA-N
-rxn:4:200878:223179,CONC(=O)c1cc(-c2ccc(C(=O)N3CCC4(CC3)OCCN4S(=O)(=O)c3ccc(OC)cc3)o2)ccc1F,UBKJXWOSGFCRRL-UHFFFAOYSA-N
-rxn:4:200878:226009,COc1ccc(S(=O)(=O)N2CCOC23CCN(C(=O)c2ccc(-c4ccc(OC(F)(F)F)cc4OC)o2)CC3)cc1,JVMSRWVJMCELOQ-UHFFFAOYSA-N
-rxn:4:200880:226844,COC1CCN(C2CCN(C(=O)Cc3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3)CC2)CC1,OCMVWSIZFKMLTM-UHFFFAOYSA-N
-rxn:4:200881:223279,O=C(CCc1ccccc1-c1cnc(C2CCCN2)nc1)N1CCCN(C2CCSCC2)CC1,OOWRVTJYQYPNIH-UHFFFAOYSA-N
-rxn:4:200883:223279,CC(C)(C)OC(=O)N1CCC2(CC1)CN(Cc1ccccc1-c1cnc(C3CCCN3)nc1)C2,BPXABLSOCMTUOZ-UHFFFAOYSA-N
-rxn:4:200884:227012,CC(C)CSc1ccccc1-c1ccc(CN2CC3(CCN(C(=O)OC(C)(C)C)CC3)C2)cc1,MOPLCFFCTFQDIO-UHFFFAOYSA-N
-rxn:4:200890:226177,CCOc1ccc(-c2ccnc(C3CCCCC3)c2)cc1S(=O)(=O)N1CCN(c2ccc(C)c(C)c2)CC1,NWKIYNOZYMYBCN-UHFFFAOYSA-N
-rxn:4:200892:225178,CCOc1ccc(-c2ccc(CN3CCOCC3)cc2F)cc1S(=O)(=O)N1CCN(c2ccc(C)cc2C)CC1,UPBPHQABXQWBEN-UHFFFAOYSA-N
-rxn:4:200892:226844,CCOc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1S(=O)(=O)N1CCN(c2ccc(C)cc2C)CC1,GVDIQAIILMZWEO-UHFFFAOYSA-N
-rxn:4:200893:226844,CCOc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1S(=O)(=O)N1CCN(c2cccc(C)c2C)CC1,JVTISUBUANMYTL-UHFFFAOYSA-N
-rxn:4:200894:223179,CCOc1ccc(-c2ccc(F)c(C(=O)NOC)c2)cc1S(=O)(=O)N1CCN(c2c(C)cccc2C)CC1,NFJAWZOUNJXBOO-UHFFFAOYSA-N
-rxn:4:200897:226844,COc1cc(S(=O)(=O)N2CCN(c3ccc(C)c(C)c3)CC2)c(OC)cc1-c1ccnc(C(=O)C(F)(F)F)c1,PZUZLRLIEDNNAF-UHFFFAOYSA-N
-rxn:4:200898:223179,CONC(=O)c1cc(-c2cc(OC)c(S(=O)(=O)N3CCN(c4c(C)cccc4C)CC3)cc2OC)ccc1F,MAMKPLQAFUMWHA-UHFFFAOYSA-N
-rxn:4:200898:226844,COc1cc(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)c(OC)cc1-c1ccnc(C(=O)C(F)(F)F)c1,YBTGKFSAANDIAG-UHFFFAOYSA-N
-rxn:4:200899:226844,COc1cc(S(=O)(=O)N2CCN(c3cc(C)cc(C)c3)CC2)c(OC)cc1-c1ccnc(C(=O)C(F)(F)F)c1,LZMUEOJEHYQTLN-UHFFFAOYSA-N
-rxn:4:200900:226844,COc1ccc(C(=O)N2C(=S)C(c3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3)=NC23CCCCC3)cc1OC,HTYFSOWFBSOBCT-UHFFFAOYSA-N
-rxn:4:200904:226844,COc1ccc(C(=O)N2C(=S)C(c3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3)=NC23CCCCCC3)cc1OC,APXBNMDXMARHCP-UHFFFAOYSA-N
-rxn:4:200973:224398,CCOC(=O)c1[nH]c2c([N+](=O)[O-])cc(C(C)(C)C)cc2c1-c1cc(S(=O)(=O)N2CCCC2)c(C)cc1F,ZBDBTUXVMLJQFD-UHFFFAOYSA-N
-rxn:4:200985:224680,Cc1ccc2c(c1)N(C(=O)COC(=O)c1cncc(-c3cc(C(=O)N4CCCCC4)ccc3F)c1)CCO2,CJCXNLZNUZGNBU-UHFFFAOYSA-N
-rxn:4:201031:225324,CCCN1C(=O)C(=C2SC(=S)N(CCOC)C2=O)c2cc(-c3cn(CCC(C)C)nc3C(F)(F)F)ccc21,XEAYXXPHQJKCFQ-UHFFFAOYSA-N
-rxn:4:201031:226844,CCCN1C(=O)C(=C2SC(=S)N(CCOC)C2=O)c2cc(-c3ccnc(C(=O)C(F)(F)F)c3)ccc21,QEDIZEIFUZZJRJ-UHFFFAOYSA-N
-rxn:4:201032:226844,CCN1C(=O)C(=C2SC(=S)N(CCCOC)C2=O)c2cc(-c3ccnc(C(=O)C(F)(F)F)c3)ccc21,QDPPFODLAKPXKF-UHFFFAOYSA-N
-rxn:4:201057:226844,CCCCCN1C(=O)C(=C2C(=O)N(CC)c3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc32)SC1=S,DYNHMJXBQLQUDJ-UHFFFAOYSA-N
-rxn:4:201069:222817,COc1ccc(S(=O)(=O)NC2CC2)cc1-c1cc([N+](=O)[O-])c(OC)c2c1CCN(C(=O)OC(C)(C)C)CC2,VRSJWBZJQNXAQV-UHFFFAOYSA-N
-rxn:4:201069:226844,COc1c([N+](=O)[O-])cc(-c2ccnc(C(=O)C(F)(F)F)c2)c2c1CCN(C(=O)OC(C)(C)C)CC2,OTLCPRLELQSOPE-UHFFFAOYSA-N
-rxn:4:201072:226844,CCC1SC2=NC(C)=C(C(=O)OC)C(c3cc(-c4ccnc(C(=O)C(F)(F)F)c4)ccc3OC)N2C1=O,FSZKACMGFMGQEJ-UHFFFAOYSA-N
-rxn:4:201085:223279,CCOC(=O)CN1C(=O)C(=C2SC(=S)N(c3ccc(-c4cnc(C5CCCN5)nc4)cc3)C2=O)c2ccccc21,SEMXUTYVRHSRKD-UHFFFAOYSA-N
-rxn:4:201089:223179,CONC(=O)c1cc(-c2ccc3sc(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)cc3c2)ccc1F,NGHBRTDQZUHNBW-UHFFFAOYSA-N
-rxn:4:201098:226844,CCCCN1C(=O)C(=C2SC(=S)N(CC(C)C)C2=O)c2cc(-c3ccnc(C(=O)C(F)(F)F)c3)ccc21,HBLSXJHQWJPXTL-UHFFFAOYSA-N
-rxn:4:201099:223168,CC1=C(C(=O)OCC(C)C)C(c2cccc(-c3cccnc3N3CCNCC3)c2)N2C(=O)C(C)SC2=N1,XPSADLFXYHWNQD-UHFFFAOYSA-N
-rxn:4:201099:226844,CC1=C(C(=O)OCC(C)C)C(c2cccc(-c3ccnc(C(=O)C(F)(F)F)c3)c2)N2C(=O)C(C)SC2=N1,VJOUOHSWGUEXIQ-UHFFFAOYSA-N
-rxn:4:201101:223279,CC1=C(C(=O)OCC(C)C)C(c2ccc(-c3cnc(C4CCCN4)nc3)cc2)N2C(=O)C(C)SC2=N1,AEWDNOYQVALJTE-UHFFFAOYSA-N
-rxn:4:201103:223179,CONC(=O)c1cc(-c2ccccc2CCC(=O)N2CC(N3C(=O)C4CC=CCC4C3=O)C2)ccc1F,RFOLTKOVUZYJLG-UHFFFAOYSA-N
-rxn:4:201104:226844,CCOc1ccc(C2SCC3C(=O)N(c4ccc(-c5ccnc(C(=O)C(F)(F)F)c5)cc4)C(=S)N32)cc1OC,VIFYDXIEBNDNTB-UHFFFAOYSA-N
-rxn:4:201105:222654,COc1ccc(-c2ccc(Cl)c(C(=O)NC3CCCCC3)c2)cc1S(=O)(=O)N1CCN=C1Cc1cccc2ccccc12,AVTSRAFOIMUEFK-UHFFFAOYSA-N
-rxn:4:201109:223279,CC(C)(C)OC(=O)N1CCC(CN2C(=O)COc3ccc(-c4cnc(C5CCCN5)nc4)cc32)C1,POSGYEODEXBCPR-UHFFFAOYSA-N
-rxn:4:201112:224494,COc1cc2c(cc1OC)CN(C(=O)Cn1ccc3cc(-c4ccc(CCOC5CCCCO5)cc4)ccc31)CC2,MGTHWNAGONOISM-UHFFFAOYSA-N
-rxn:4:201113:226844,COc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1C1C(C(=O)OC(C)C)=C(C)N=C2SCCC(=O)N21,KYIJTSGUHYYXEW-UHFFFAOYSA-N
-rxn:4:201118:226844,CCCCN1C(=O)C(=C2SC(=S)N(Cc3ccccc3)C2=O)c2cc(-c3ccnc(C(=O)C(F)(F)F)c3)ccc21,VUEHKPGJDHLAAI-UHFFFAOYSA-N
-rxn:4:201119:223179,CCCCCN1C(=O)C(=C2SC(=S)N(c3ccc(-c4ccc(F)c(C(=O)NOC)c4)cc3)C2=O)c2ccccc21,DXNRYFSPNNYTFP-UHFFFAOYSA-N
-rxn:4:201119:223279,CCCCCN1C(=O)C(=C2SC(=S)N(c3ccc(-c4cnc(C5CCCN5)nc4)cc3)C2=O)c2ccccc21,XTPVOCQNZNGPEM-UHFFFAOYSA-N
-rxn:4:201119:226844,CCCCCN1C(=O)C(=C2SC(=S)N(c3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3)C2=O)c2ccccc21,XRBOWSFGQLRVNI-UHFFFAOYSA-N
-rxn:4:201119:227464,CCCCCN1C(=O)C(=C2SC(=S)N(c3ccc(-c4cnc(SCCCC)nc4)cc3)C2=O)c2ccccc21,LXFHUEHNMWZNBK-UHFFFAOYSA-N
-rxn:4:201120:226844,COC(=O)C1=C(C)N=C2SC(Cc3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3)C(=O)N2C1c1ccccc1,XNLOIDHYHFVETN-UHFFFAOYSA-N
-rxn:4:201121:223279,CC1=C(C(=O)OCc2ccccc2)C(c2ccccc2-c2cnc(C3CCCN3)nc2)N2C(=O)CCSC2=N1,ZMYMWWOIUCKFIP-UHFFFAOYSA-N
-rxn:4:201133:223279,CC(C)(C)OC(=O)N1CCC(CN2Cc3cc(-c4cnc(C5CCCN5)nc4)ccc3C2=O)CC1,CFJJAXQCRLKLKQ-UHFFFAOYSA-N
-rxn:4:201133:226844,CC(C)(C)OC(=O)N1CCC(CN2Cc3cc(-c4ccnc(C(=O)C(F)(F)F)c4)ccc3C2=O)CC1,WFDQPCAEDVJZTG-UHFFFAOYSA-N
-rxn:4:201134:223279,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(-c3cnc(C4CCCN4)nc3)c3ccccc23)CC1,OEWNIAMACSEOTF-UHFFFAOYSA-N
-rxn:4:201144:223279,CC(C)(C)OC(=O)N1CCC(CN2C(=O)COc3ccc(-c4cnc(C5CCCN5)nc4)cc32)CC1,QSNYKAADIUQWNI-UHFFFAOYSA-N
-rxn:4:201150:223179,CONC(=O)c1cc(-c2ccc3c(c2)CCN(CC2CCN(C(=O)OC(C)(C)C)CC2)C3)ccc1F,GLCHAPDOUWBESC-UHFFFAOYSA-N
-rxn:4:201153:223644,CCOC(=O)C1CCCN(C(=O)c2ccc(-c3ccc(C4(C)CC(C)(C)N(C(=O)CSc5nc6ccccc6o5)c5ccccc54)cc3)cc2)C1,QPRHIMKNNWMBGI-UHFFFAOYSA-N
-rxn:4:201188:223279,COc1ccc2c(=O)c3c(oc2c1)C(=O)N(CCN1CCOCC1)C3c1cccc(-c2cnc(C3CCCN3)nc2)c1,DMAOIWDWIADALR-UHFFFAOYSA-N
-rxn:4:201188:226844,COc1ccc2c(=O)c3c(oc2c1)C(=O)N(CCN1CCOCC1)C3c1cccc(-c2ccnc(C(=O)C(F)(F)F)c2)c1,JWAUSIIZGZHFGT-UHFFFAOYSA-N
-rxn:4:201192:223179,CONC(=O)c1cc(-c2ccc3c(c2)C2CC(c4ccc(OC(C)C)cc4)=NN2C(c2ccc(C(C)C)cc2)O3)ccc1F,ARMMPJQSWOXIJX-UHFFFAOYSA-N
-rxn:4:201350:223529,CC(C)COc1ncc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)c(F)c2)cc1[N+](=O)[O-],KYTUWUJRQLEJKK-UHFFFAOYSA-N
-rxn:4:201558:223940,CCOC(=O)c1n[nH]c(C(C)(C)C)c1-c1ccc2c(c1)OCCN2C(=O)OC(C)(C)C,HUBYHZZLXJVXSX-UHFFFAOYSA-N
-rxn:4:201687:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3cnc(OCCC4CCCCC4)nc3)cc2)CC1,NWINBZHNJBEWQQ-UHFFFAOYSA-N
-rxn:4:201759:225753,COC(=O)c1cnc(C2CC2)c(-c2cncc(CC(=O)N3CCC(C(F)(F)F)CC3)c2)c1,MZYNLORBUYHPDQ-UHFFFAOYSA-N
-rxn:4:201760:224371,COC(=O)C1CCN(c2ncc(-c3ccc(CC(=O)N4CC(N5C(=O)CSC5=O)C4)cc3)cn2)CC1,IAMORKXAEFWZMR-UHFFFAOYSA-N
-rxn:4:201776:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2cnc(C3CCN(C(=O)OC(C)(C)C)C3)s2)cc1,TXVSONWWKFESPE-UHFFFAOYSA-N
-rxn:4:201786:222651,CCOC(=O)C1CCN(c2ncccc2-c2cc(C(=O)NC3CCCCC3)ccc2F)CC1,LICJEAHDJKGRTI-UHFFFAOYSA-N
-rxn:4:201797:223901,Cc1cc(N2CCCC(C(=O)CC#N)C2=O)ccc1-c1ccc(OCCN2CCC(C)CC2)c(Cl)c1,OTGQYTGOMRRXMG-UHFFFAOYSA-N
-rxn:4:201839:223998,CCC(=O)N1CCN(C(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCC(C)CC4)c(F)c3)cc2)CC1,SNIZRMPVEQREND-UHFFFAOYSA-N
-rxn:4:201856:223179,CONC(=O)c1cc(-c2ccccc2C(=O)N2CC(CN3C(=O)CCC3=O)C2)ccc1F,FRBQYHZWWDGZRX-UHFFFAOYSA-N
-rxn:4:201862:223179,CONC(=O)c1cc(-c2cc([N+](=O)[O-])c(OC)cc2N2CCC(C(F)(F)F)CC2)ccc1F,PFMMQZYPIQNEIN-UHFFFAOYSA-N
-rxn:4:201862:226844,COc1cc(N2CCC(C(F)(F)F)CC2)c(-c2ccnc(C(=O)C(F)(F)F)c2)cc1[N+](=O)[O-],DQZPVBPFRGBNBP-UHFFFAOYSA-N
-rxn:4:201907:226844,O=C(Cc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1)N1CCC(N2C(=O)COC2=O)C1,QCOIDKLBDVJLSJ-UHFFFAOYSA-N
-rxn:4:201908:222743,CC(c1ccc(-c2ccc(S(=O)(=O)N3CC(CN4C(=O)CCC4=O)C3)cc2)cc1)N1CCC(O)CC1,LRQRMLCPMUUVGB-UHFFFAOYSA-N
-rxn:4:201940:224251,CCN1CCN(C(=O)c2ccc(-c3ccc(C(=O)N4CCCC(C)C4)cc3F)cc2OC)CC1,AJQINGRGPPLFNO-UHFFFAOYSA-N
-rxn:4:201963:224711,CCCCOc1ccc(C(F)(F)F)cc1-c1ccc(C(F)(F)F)cc1CN1CCN(CC)CC1,KYFPYTHRZNSCKD-UHFFFAOYSA-N
-rxn:4:201969:226844,COc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)c(C(=O)N2CCC(N3C(=O)CSC3=O)C2)c1,GDLLIATULPZRRF-UHFFFAOYSA-N
-rxn:4:201997:225976,CC(C)(C)OC(=O)N1CCOC(c2cnccc2-c2ccnc(N3CCOCC3)c2F)C1,XXTMWQVUJMGCNZ-UHFFFAOYSA-N
-rxn:4:202006:222996,CCOc1cc(-c2ccc(F)cc2C2CCCNC2)ccc1S(=O)(=O)N1CCN(C)CC1,WQENBFDIGNEZPM-UHFFFAOYSA-N
-rxn:4:202018:224780,CC(C)(C)OC(=O)c1nc(N2CCOCC2)ccc1-c1ccc(C2CCOC2)c(C(F)(F)F)c1,CSIYSHLOVZJWQH-UHFFFAOYSA-N
-rxn:4:202069:222820,CC(C)(C)NS(=O)(=O)c1ccc(-c2cncc(C(=O)N3CCC(S(=O)(=O)C(C)(C)C)C3)c2)cc1F,FYETUUWGUFZXIN-UHFFFAOYSA-N
-rxn:4:202070:226539,CCOC(=O)c1ccc(Cl)cc1-c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2=O)cc1,MCYRIMRWOHRQDX-UHFFFAOYSA-N
-rxn:4:202070:226844,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2)C(=O)C1,ZHYNMOIMXVDBMM-UHFFFAOYSA-N
-rxn:4:202075:223181,CCNS(=O)(=O)c1cccc(-c2ccc(C3(C)CCN(C(=O)OC(C)(C)C)C3=O)nc2)c1,MQLCRFCAWMGPEZ-UHFFFAOYSA-N
-rxn:4:202095:223179,CONC(=O)c1cc(-c2sc(C3CCN(C(=O)OC(C)(C)C)CC3)nc2C)ccc1F,KLMLDFALFPNZGZ-UHFFFAOYSA-N
-rxn:4:202096:222946,CC(C)(C)OC(=O)N1CCCC(c2cccc(-c3cnc(N4CCCCC4O)nc3Cl)n2)C1,ZUFWEYQYETUCMG-UHFFFAOYSA-N
-rxn:4:202098:224485,CC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2ccc(C3CCN(C(=O)OC(C)(C)C)CC3)cn2)c1,OWDOXWFPVYWABW-UHFFFAOYSA-N
-rxn:4:202102:226844,CC1CN(C(=O)OC(C)(C)C)CCC1c1ncc(-c2ccnc(C(=O)C(F)(F)F)c2)s1,HKTCSZZDBZGAJK-UHFFFAOYSA-N
-rxn:4:202104:223506,CC(C)(C)OC(=O)N1CCC(c2cc(-c3cccc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c3)ccn2)CC1,ACXRSFWEUYBXKG-UHFFFAOYSA-N
-rxn:4:202114:222899,CCCCNS(=O)(=O)c1ccc(-c2cncc(C3CCCCN3C(=O)OC(C)(C)C)c2)cc1,QNCWMCAJTAEGAC-UHFFFAOYSA-N
-rxn:4:202115:224269,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3cn(C(=O)OC(C)(C)C)c4cnccc34)cn2)CC1,MSQHZDSFLMTVTM-UHFFFAOYSA-N
-rxn:4:202123:224076,CC(C)(C)OC(=O)c1nc(N2CCCCC2)ccc1-c1ccc2c(ccn2[Si](C)(C)C(C)(C)C)c1,DUMWLXLQOZUWCR-UHFFFAOYSA-N
-rxn:4:202128:226844,CC(C)(C)OC(=O)C1CCN(c2cncc(-c3ccnc(C(=O)C(F)(F)F)c3)c2Cl)CC1,MAFZWODCDKMZCR-UHFFFAOYSA-N
-rxn:4:202129:226844,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)c(F)n2)CC1,HRBDRACNWLXBRF-UHFFFAOYSA-N
-rxn:4:202130:223179,CONC(=O)c1cc(-c2ccc(C3CCCN(C(=O)OC(C)(C)C)C3)nc2F)ccc1F,WZZGFKCYCVFVTK-UHFFFAOYSA-N
-rxn:4:202136:223179,CONC(=O)c1cc(-c2cncc(F)c2N2CCC(C(=O)OC(C)(C)C)CC2)ccc1F,OUSXYOWCBWRFBJ-UHFFFAOYSA-N
-rxn:4:202137:223179,CONC(=O)c1cc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c(F)c2)ccc1F,UNQRHDDHTRADOM-UHFFFAOYSA-N
-rxn:4:202137:223294,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3csc(N4CCNCC4)n3)cc2F)CC1,JIBRSRKUXBESHZ-UHFFFAOYSA-N
-rxn:4:202138:225975,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccnc(N4CCOCC4)c3Cl)c(F)c2)CC1,OPIXOSRVCAJWBF-UHFFFAOYSA-N
-rxn:4:202142:225220,CC1CCCCN1c1ncc(-c2cc(C(=O)OC(C)(C)C)cc(N3CCC(F)(F)CC3)n2)cc1Cl,MHLHKOXXSXIBGN-UHFFFAOYSA-N
-rxn:4:202142:226844,CC(C)(C)OC(=O)c1cc(-c2ccnc(C(=O)C(F)(F)F)c2)nc(N2CCC(F)(F)CC2)c1,OVXBNPKPWSLAKY-UHFFFAOYSA-N
-rxn:4:202163:225109,Cc1cc(C2=CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1cccc(OC(=O)OC(C)(C)C)c1,KQTYQDMQKRTOBC-UHFFFAOYSA-N
-rxn:4:202167:222864,CC(C)NCCOc1ccc(-c2ccc(CN3CCCN(S(=O)(=O)C4CC4)CC3)cc2)cc1F,VWTRHGXTADBQRV-UHFFFAOYSA-N
-rxn:4:202168:226844,O=C(C1CN(Cc2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2)CCO1)N1CCCC1,KFZYSFLOWNNBRF-UHFFFAOYSA-N
-rxn:4:202169:226844,O=C(C1CN(Cc2cccc(-c3ccnc(C(=O)C(F)(F)F)c3)c2)CCO1)N1CCCC1,UJAGAOOFBSGISY-UHFFFAOYSA-N
-rxn:4:202175:226844,O=C(C1CCCN1S(=O)(=O)c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1)N1CCOCC1,VUWNXGCDVCIXJZ-UHFFFAOYSA-N
-rxn:4:202195:223279,O=C(C1CC=CCC1)N1CCC(Oc2ncccc2-c2cnc(C3CCCN3)nc2)CC1,HQUCJNZEGBCYSD-UHFFFAOYSA-N
-rxn:4:202197:223279,O=C(C1CN(Cc2ccc(-c3cnc(C4CCCN4)nc3)cc2)CCO1)N1CCSCC1,IQQRMJFXXJNGFE-UHFFFAOYSA-N
-rxn:4:202198:223179,CONC(=O)c1cc(-c2cccc(CN3CCOC(C(=O)N4CCSCC4)C3)c2)ccc1F,MKMSLSXMPNDMCV-UHFFFAOYSA-N
-rxn:4:202198:226844,O=C(C1CN(Cc2cccc(-c3ccnc(C(=O)C(F)(F)F)c3)c2)CCO1)N1CCSCC1,DWOYRMPJCYDTLN-UHFFFAOYSA-N
-rxn:4:202199:226844,O=C(C1CN(Cc2ccccc2-c2ccnc(C(=O)C(F)(F)F)c2)CCO1)N1CCSCC1,VFGYQNOKNIQBLL-UHFFFAOYSA-N
-rxn:4:202204:223179,CONC(=O)c1cc(-c2cccc(N3CC(C(=O)N4CCC(CF)CC4)CC3=O)c2)ccc1F,OTKWOLKGWKLVFK-UHFFFAOYSA-N
-rxn:4:202214:222656,COc1ccc(-c2ccc(C(=O)NC3CCCCC3)c(F)c2)cc1S(=O)(=O)N1CCN(c2ccccc2Cl)CC1,OMECGWPETIRGKO-UHFFFAOYSA-N
-rxn:4:202225:226844,CC1CN(C(=O)OC(C)(C)C)CCC1c1cccc(-c2ccnc(C(=O)C(F)(F)F)c2)n1,LSSPOBKKQTXBGZ-UHFFFAOYSA-N
-rxn:4:202227:222999,Cc1cc(-c2cc(Cl)cc(C3CCCNC3)c2)cc(C2CCCN(C(=O)OC(C)(C)C)C2)n1,SBDRRMREKXYBKK-UHFFFAOYSA-N
-rxn:4:202229:223179,CONC(=O)c1cc(-c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)ccc2C)ccc1F,INZMNYJKMNJBRV-UHFFFAOYSA-N
-rxn:4:202230:223179,CONC(=O)c1cc(-c2cc(C)ccc2N2CCN(C(=O)OC(C)(C)C)CC2)ccc1F,ZWYMKILCEGXRMM-UHFFFAOYSA-N
-rxn:4:202268:223179,CONC(=O)c1cc(-c2ccccc2CN2CCOC(C(=O)N3CCCCC3)C2)ccc1F,SFULOBITUVVWTA-UHFFFAOYSA-N
-rxn:4:202270:223279,O=C(C1CCCN(Cc2cccc(-c3cnc(C4CCCN4)nc3)c2)C1)N1CCOCC1,NGXLXUZEEFNOJM-UHFFFAOYSA-N
-rxn:4:202272:223179,CONC(=O)c1cc(-c2ccc(CN3CCCC(C(=O)N4CCSCC4)C3)cc2)ccc1F,JTUDUGIGDSYTKH-UHFFFAOYSA-N
-rxn:4:202273:223179,CONC(=O)c1cc(-c2cccc(CN3CCCC(C(=O)N4CCSCC4)C3)c2)ccc1F,GWOOPEMGWKSANO-UHFFFAOYSA-N
-rxn:4:202275:223279,COC1CCN(C2CCN(C(=O)c3cc(-c4cnc(C5CCCN5)nc4)ccc3Cl)CC2)C1,ZCFMLLPRTGLMNA-UHFFFAOYSA-N
-rxn:4:202277:226844,O=C(c1cc(-c2ccc(CN3CCC(C(F)(F)F)CC3)c(N3CCCC3)c2)ccn1)C(F)(F)F,YOLSKZSXZXECST-UHFFFAOYSA-N
-rxn:4:202284:226844,COc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1CN1CCC(N2CCCC2)CC1,XWDPVJUTMHOOQP-UHFFFAOYSA-N
-rxn:4:202291:226844,O=C(c1cc(-c2ccc(CN3CCCC(C(F)(F)F)C3)c(N3CCOCC3)c2)ccn1)C(F)(F)F,NGHBCEHWDYYQDL-UHFFFAOYSA-N
-rxn:4:202293:223568,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(Cl)c(-c3ccc(C4CC(C(C)(C)C)=NN4S(=O)(=O)c4ccccc4)cc3)cnc21,TWRRVENRJYWAHS-UHFFFAOYSA-N
-rxn:4:202298:222875,COc1cc(C)c(-c2cc(C(=O)NC(C)(C)C)ccc2F)cc1S(=O)(=O)N1CCN(c2ccccc2)CC1,OHSYLPZUUGUCLX-UHFFFAOYSA-N
-rxn:4:202302:222585,Cc1cc(OC2CCN(C(=O)c3cccc(-c4ccccc4C(=O)NCCN4CCOCC4)c3)CC2)cc(=O)n1C,OVJDPYYRUMOMIO-UHFFFAOYSA-N
-rxn:4:202304:223901,Cc1ccc(C2=NN(C(=O)c3ccc(-c4ccc(OCCN5CCC(C)CC5)c(Cl)c4)o3)C(c3ccc(C)cc3)C2)cc1,AEQFAFHDCDLFQS-UHFFFAOYSA-N
-rxn:4:202305:224080,CC1CCN(c2oc(-c3ccco3)nc2S(=O)(=O)c2ccc(-c3ccc(OCCCN4CCCCC4)cc3)cc2)CC1,QZFUGZWKCYRUCP-UHFFFAOYSA-N
-rxn:4:202309:223279,CN(Cc1ccc(-c2cnc(C3CCCN3)nc2)cc1N1CCOCC1)C1CCOCC1,OIAPBCUIZGVSIA-UHFFFAOYSA-N
-rxn:4:202310:223189,CS(=O)(=O)Nc1ccc(-c2ccc(S(=O)(=O)N3CCCSCC3CN3CCOCC3)cc2)c(F)c1,KSVVLJSGUKNMOU-UHFFFAOYSA-N
-rxn:4:202310:228891,N#Cc1c(Cl)cncc1-c1ccc(S(=O)(=O)N2CCCSCC2CN2CCOCC2)cc1,NSZKFIAJXZQQBT-UHFFFAOYSA-N
-rxn:4:202320:226844,CC(C)(C)[Si](C)(C)ON1CCN(c2cc(F)cc(-c3ccnc(C(=O)C(F)(F)F)c3)c2)CC1,GRHPICYUOFZIFT-UHFFFAOYSA-N
-rxn:4:202327:226261,CCOc1ccc(-c2ccc(CN(C)C3CCCCC3)c(N3CCOCC3)c2)cc1OCC,RTYJWAYEVIKINS-UHFFFAOYSA-N
-rxn:4:202330:225275,COCCOc1c(F)c(C)cc(-c2ccc(OC)c(S(=O)(=O)N3CCN(c4cccc(C)c4C)CC3)c2)c1F,KSBLSSMYKFYAFE-UHFFFAOYSA-N
-rxn:4:202335:223279,COc1ccc(C(=O)N2C(=S)C(c3ccc(-c4cnc(C5CCCN5)nc4)cc3)=NC23CCCCC3)cc1,MFLIVUDKFJMDDU-UHFFFAOYSA-N
-rxn:4:202335:226844,COc1ccc(C(=O)N2C(=S)C(c3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3)=NC23CCCCC3)cc1,AEASYSLNELZKJN-UHFFFAOYSA-N
-rxn:4:202337:223179,CONC(=O)c1cc(-c2ccc(C(=O)N3CCC4(CC3)OCCN4S(=O)(=O)c3ccc(C)cc3)o2)ccc1F,IOUNJORVVCUFDA-UHFFFAOYSA-N
-rxn:4:202340:223279,Cc1cc(S(=O)(=O)N2CCOC23CCN(C(=O)c2ccc(-c4cnc(C5CCCN5)nc4)o2)CC3)ccc1F,PKHWLIFBTUKAFD-UHFFFAOYSA-N
-rxn:4:202342:226844,Cc1cc(C)c(S(=O)(=O)N2CCN(C(=O)c3cccc(-c4ccnc(C(=O)C(F)(F)F)c4)c3)CC2)c(C)c1,FJSMJGZUKNVCNS-UHFFFAOYSA-N
-rxn:4:202344:224431,COc1cc(S(=O)(=O)N2CCN(c3c(C)cc(C)cc3C)CC2)ccc1-c1c(C)cccc1CN(C(C)C)C(C)C,NMAIQGWPZVFBJR-UHFFFAOYSA-N
-rxn:4:202345:223179,CONC(=O)c1cc(-c2cc(S(=O)(=O)N3CCN(c4c(C)cccc4C)CC3)c(OC)cc2C)ccc1F,DSYSDOZITHIZFL-UHFFFAOYSA-N
-rxn:4:202345:226844,COc1cc(C)c(-c2ccnc(C(=O)C(F)(F)F)c2)cc1S(=O)(=O)N1CCN(c2c(C)cccc2C)CC1,PWSQHBFJMPVJKG-UHFFFAOYSA-N
-rxn:4:202346:224773,COc1ccc(C(=O)N2C(=S)C(c3ccc(-c4ccc(S(=O)(=O)N5CCCC5)c(C)c4)cc3)=NC23CCCCCC3)cc1,NLRFXXDBEGCGCR-UHFFFAOYSA-N
-rxn:4:202346:226844,COc1ccc(C(=O)N2C(=S)C(c3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3)=NC23CCCCCC3)cc1,NHGXXDWOTCYRIQ-UHFFFAOYSA-N
-rxn:4:202347:223179,CONC(=O)c1cc(-c2cccc(C(=O)N3CCC4(CC3)OCCN4S(=O)(=O)c3ccc(C)cc3)c2)ccc1F,BVOXIZURQQUOLL-UHFFFAOYSA-N
-rxn:4:202350:223179,CONC(=O)c1cc(-c2cccc(C(=O)N3CCC4(CC3)OCCN4S(=O)(=O)c3ccc(F)c(C)c3)c2)ccc1F,TUNXJJZBUOCKBB-UHFFFAOYSA-N
-rxn:4:202350:223279,Cc1cc(S(=O)(=O)N2CCOC23CCN(C(=O)c2cccc(-c4cnc(C5CCCN5)nc4)c2)CC3)ccc1F,UKEKWWGFDGXQPC-UHFFFAOYSA-N
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-rxn:4:203691:224285,N#Cc1c(-c2ccc(OCCN3CCOCC3)cc2F)cccc1N1CCC(C(F)(F)F)CC1,YNMFVXBXWVGJHG-UHFFFAOYSA-N
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-rxn:4:204109:226844,O=C1COCC(=O)N1C1CCN(S(=O)(=O)c2ccccc2-c2ccnc(C(=O)C(F)(F)F)c2)CC1,LNMBJWIZMWYUIP-UHFFFAOYSA-N
-rxn:4:204118:226844,O=C(c1ccccc1-c1ccnc(C(=O)C(F)(F)F)c1)N1CCCN(C2CCSC2)CC1,KEVDUGUXMCCIOY-UHFFFAOYSA-N
-rxn:4:204122:224321,Cc1ccc(S(=O)(=O)N2CCCCC2c2ccc(-c3cccc(S(=O)(=O)N4CCC(C)CC4)c3)nc2)cc1,FOIVHJGZHBPBSA-UHFFFAOYSA-N
-rxn:4:204134:223287,CNS(=O)(=O)c1ccc(-c2ccccc2S(=O)(=O)N2CCCN(C3CCOC3)CC2)cc1,WZDOPFRRTDSSMI-UHFFFAOYSA-N
-rxn:4:204135:226844,O=C(c1cc(-c2ccccc2S(=O)(=O)N2CCCN(C3CCSC3)CC2)ccn1)C(F)(F)F,PDDYJTBNMDQJEP-UHFFFAOYSA-N
-rxn:4:204135:227301,CN(C)Cc1cc(F)ccc1-c1ccccc1S(=O)(=O)N1CCCN(C2CCSC2)CC1,NPXPFXDUGFXXDI-UHFFFAOYSA-N
-rxn:4:204137:226844,O=C(c1cc(-c2ccc(CN3CCC(F)(F)CC3)c(N3CCOCC3)c2)ccn1)C(F)(F)F,BWISWGDUWQQOMS-UHFFFAOYSA-N
-rxn:4:204149:223646,CC1CCN(Cc2ccc(-c3ccc(OC4CCN(C(=O)OC(C)(C)C)C4)cc3)cc2N2CCCC2)CC1,PBOZRYLUSCIRBY-UHFFFAOYSA-N
-rxn:4:204150:224704,CC1CCN(c2cc(-c3cccc(C(=O)N4CCCN(C5CCSCC5)CC4)c3)cc(F)c2F)CC1,DCFGZYVCJUXKHR-UHFFFAOYSA-N
-rxn:4:204157:222719,Cc1cccc(C)c1N1CCN(S(=O)(=O)c2ccc(-c3cc(C4CCCNC4)nc(C(F)(F)F)c3)cc2)CC1,ZVZODDLZJRKEBH-UHFFFAOYSA-N
-rxn:4:204161:225544,COc1ccc(-c2ccc(C3=NC4(CCCC4)N(C(=O)c4ccc(C)cc4)C3=S)cc2)cc1OCC(C)C,ZUBCCSOCCPHIFJ-UHFFFAOYSA-N
-rxn:4:204164:226844,O=C(c1ccc(Cl)cc1)N1C(=S)C(c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2)=NC12CCCCC2,ZSJQORPYXBVPEK-UHFFFAOYSA-N
-rxn:4:204165:226844,O=C(c1ccc(F)cc1)N1C(=S)C(c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2)=NC12CCCCC2,XNTVQTNRVJSUBS-UHFFFAOYSA-N
-rxn:4:204166:226844,CC1CCCCN1Cc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1N1CCOCC1,KPHJSYNYMOYHSX-UHFFFAOYSA-N
-rxn:4:204170:223179,CONC(=O)c1cc(-c2ccc(CN3CCCCC3C)c(N3CCCCC3)c2)ccc1F,LLRARJYLTVJRPA-UHFFFAOYSA-N
-rxn:4:204170:225201,CC1CCCCN1Cc1ccc(-c2ccc(OC3CCCC3)c(F)c2F)cc1N1CCCCC1,CXJJJKJCHSCDSW-UHFFFAOYSA-N
-rxn:4:204171:226321,CC1CCCN(Cc2ccc(-c3ccc(SC4CCCC4)nc3)cc2N2CCCCC2)C1,VZLXVMBRFOJOHK-UHFFFAOYSA-N
-rxn:4:204172:223084,CC1CCN(Cc2ccc(-c3cnc(N4CCC(O)CC4)nc3)cc2N2CCCCC2)CC1,BIGFXLHAWFFSLI-UHFFFAOYSA-N
-rxn:4:204172:223179,CONC(=O)c1cc(-c2ccc(CN3CCC(C)CC3)c(N3CCCCC3)c2)ccc1F,IBHNTMBEEITBOZ-UHFFFAOYSA-N
-rxn:4:204175:223179,CONC(=O)c1cc(-c2ccc(C3=NC4(CCCCCC4)N(C(=O)c4ccccc4)C3=S)cc2)ccc1F,OOZPUCALOPOIPT-UHFFFAOYSA-N
-rxn:4:204176:226844,O=C(c1ccc(Cl)cc1)N1C(=S)C(c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2)=NC12CCCCCC2,FFPOEOAKMJFXLG-UHFFFAOYSA-N
-rxn:4:204177:223279,O=C(c1ccc(F)cc1)N1C(=S)C(c2ccc(-c3cnc(C4CCCN4)nc3)cc2)=NC12CCCCCC2,BOSQCXWVXGPKQL-UHFFFAOYSA-N
-rxn:4:204177:226844,O=C(c1ccc(F)cc1)N1C(=S)C(c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2)=NC12CCCCCC2,OJYANALFKLLCHT-UHFFFAOYSA-N
-rxn:4:204185:223179,CONC(=O)c1cc(-c2c(C)cc(C)c(S(=O)(=O)N3CCN(c4c(C)cccc4C)CC3)c2C)ccc1F,YEHNHWPPHPMNSG-UHFFFAOYSA-N
-rxn:4:204507:222637,CC(NC(=O)OC(C)(C)C)c1ccc(-c2nc3c(s2)CN(C(=O)OC(C)(C)C)CC3)cc1,IEFAOOPYZLYPLA-UHFFFAOYSA-N
-rxn:4:204578:223530,COC(=O)c1cc(-c2cc(F)ccc2CN2CCN(C(=O)OC(C)(C)C)CC2)cc2nn(C3CCCC3)cc12,FSPPHMGDGXPWBU-UHFFFAOYSA-N
-rxn:4:204604:223650,CC(C)(C)OC(=O)N1CCN(c2ccccc2-c2cnc3c(c2)CCN(C(=O)OC(C)(C)C)C3)CC1,FATCLRRHNCYZKD-UHFFFAOYSA-N
-rxn:4:204607:222710,COc1ccc(S(=O)(=O)NC(C)(C)C)cc1-c1ccc2ccn(CC(=O)N3CCC(=O)CC3)c2c1,KKDUMDOVGFIPGX-UHFFFAOYSA-N
-rxn:4:204653:223179,COCCN1C(=O)C(=C2C(=O)N(C)c3ccc(-c4ccc(F)c(C(=O)NOC)c4)cc32)SC1=S,WPKJKKJLEKURMZ-UHFFFAOYSA-N
-rxn:4:204653:226844,COCCN1C(=O)C(=C2C(=O)N(C)c3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc32)SC1=S,KQNSKTBMYQCZJG-UHFFFAOYSA-N
-rxn:4:204683:222636,C[C@@H](NC(=O)OC(C)(C)C)c1ccc(-c2cnc3c(c2)N(C(=O)OC(C)(C)C)CC3(C)C)cc1,DWEWFLIUIBSSEW-QGZVFWFLSA-N
-rxn:4:204683:225281,CC(C)(C)OC(=O)c1cc(-c2cnc3c(c2)N(C(=O)OC(C)(C)C)CC3(C)C)cc(Cl)n1,JABJRCFNVFNJDM-UHFFFAOYSA-N
-rxn:4:204691:226844,CCCCN1C(=O)C(=C2SC(=S)N(C)C2=O)c2cc(-c3ccnc(C(=O)C(F)(F)F)c3)ccc21,YLHNQCTVVKDOBN-UHFFFAOYSA-N
-rxn:4:204694:226844,O=C(N=C1SC2CS(=O)(=O)CC2N1c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1)C1CC1,NDCCJYHOIKJYHE-UHFFFAOYSA-N
-rxn:4:204695:223179,CONC(=O)c1cc(-c2cccc(C3C(C(=O)OC)=C(C)N=C4SC(C)C(=O)N43)c2)ccc1F,CQNZWXMHSDTWNF-UHFFFAOYSA-N
-rxn:4:204700:223279,O=C(c1ccc(-c2cnc(C3CCCN3)nc2)o1)N1CC(N2C(=O)C3CC=CCC3C2=O)C1,GCBXORPOXPAOTP-UHFFFAOYSA-N
-rxn:4:204710:224486,CC(C)N(C(=O)c1cccc(-c2cnn3c2OC[C@@H](O[Si](C)(C)C(C)(C)C)C3)c1)C(C)C,QXGDCQHBVXZFRB-NRFANRHFSA-N
-rxn:4:204723:226844,CC(C)C(=O)N=C1SC2CS(=O)(=O)CC2N1c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1,WHLCAYPIZPMXGP-UHFFFAOYSA-N
-rxn:4:204740:223179,CCN1C(=O)C(=C2SC(=S)N(CC(C)C)C2=O)c2cc(-c3ccc(F)c(C(=O)NOC)c3)ccc21,IHGOPZCKHWQOLZ-UHFFFAOYSA-N
-rxn:4:204740:228214,CCN1C(=O)C(=C2SC(=S)N(CC(C)C)C2=O)c2cc(-c3cnc(C4CC4)cc3F)ccc21,BAIHEFSOIHJQIS-UHFFFAOYSA-N
-rxn:4:204744:223279,O=C(c1ccccc1-c1cnc(C2CCCN2)nc1)N1CC(N2C(=O)C3CC=CCC3C2=O)C1,QLOGYLVSMKIJAJ-UHFFFAOYSA-N
-rxn:4:204753:223606,O=C(N=C1SC2CS(=O)(=O)CC2N1c1ccc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c(F)c2)cc1)c1ccccc1,UFAJBBHTINJPAL-UHFFFAOYSA-N
-rxn:4:204756:222817,COc1ccc(S(=O)(=O)NC2CC2)cc1-c1ccc(C(=O)N2CC(N3CC4CCCC4C3)C2)cc1,KINLIMLZJUIYJH-UHFFFAOYSA-N
-rxn:4:204756:226844,O=C(c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1)N1CC(N2CC3CCCC3C2)C1,BANJIVXTBSYFEH-UHFFFAOYSA-N
-rxn:4:204757:224421,CC(C)c1cc(C(C)C)c(-c2ccc3c(ccn3CC(=O)N3CCC4(CC3)OCCO4)c2)c(C(C)C)c1,PQESQALVZJHENI-UHFFFAOYSA-N
-rxn:4:204772:223179,CCN1C(=O)C(=C2SC(=S)N(Cc3ccccc3)C2=O)c2cc(-c3ccc(F)c(C(=O)NOC)c3)ccc21,UVQGGZCYFLUIBI-UHFFFAOYSA-N
-rxn:4:204772:226844,CCN1C(=O)C(=C2SC(=S)N(Cc3ccccc3)C2=O)c2cc(-c3ccnc(C(=O)C(F)(F)F)c3)ccc21,FDMPMLDXMPVGCU-UHFFFAOYSA-N
-rxn:4:204775:226844,CCN1C(=O)C(=C2SC(=S)N(Cc3ccc(F)cc3)C2=O)c2cc(-c3ccnc(C(=O)C(F)(F)F)c3)ccc21,JZLYXUUWUNMBST-UHFFFAOYSA-N
-rxn:4:204779:224367,CC(C)COc1cc(-c2ccc(CN3C(=O)N(c4cc(F)ccc4F)S(=O)(=O)c4ccccc43)cc2)ccc1OC(F)(F)F,VPHYFECRJPPDSN-UHFFFAOYSA-N
-rxn:4:204780:226484,COCCOc1cc(Cl)ccc1-c1ccc(S(=O)(=O)N2CC(N3CC4CCCC4C3)C2)cc1,DPVPGOLGTMLBSP-UHFFFAOYSA-N
-rxn:4:204781:226844,O=C1CCC(=O)N1C1CC2CCC(C1)N2C(=O)c1ccccc1-c1ccnc(C(=O)C(F)(F)F)c1,KXMOCVNZKKSGNW-UHFFFAOYSA-N
-rxn:4:204788:222778,COc1ccccc1N1C(=O)N(c2ccc(-c3cncc(CNC(=O)OC(C)(C)C)c3)cc2)C2CS(=O)(=O)CC21,RTPBYCPAPJKWTH-UHFFFAOYSA-N
-rxn:4:204797:223179,CONC(=O)c1cc(-c2cccc(N3C=C(C(=O)N4CCCC4)S(=O)(=O)c4ccc(Cl)cc43)c2)ccc1F,QRFPJNCBYLGDSQ-UHFFFAOYSA-N
-rxn:4:204798:226844,O=C(C1=CN(c2cccc(-c3ccnc(C(=O)C(F)(F)F)c3)c2)c2cc(F)ccc2S1(=O)=O)N1CCCC1,VQXOPXZWACIDOU-UHFFFAOYSA-N
-rxn:4:204799:223179,CONC(=O)c1cc(-c2ccc(N3C=C(C(=O)N4CCCC4)S(=O)(=O)c4ccc(F)cc43)cc2)ccc1F,LOOWJAFNDMPWQP-UHFFFAOYSA-N
-rxn:4:204799:226844,O=C(C1=CN(c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2)c2cc(F)ccc2S1(=O)=O)N1CCCC1,ASGPSBPZZCHEEE-UHFFFAOYSA-N
-rxn:4:204804:227092,Cc1nc(C2CCC2)ccc1-c1ccccc1S(=O)(=O)N1C2CCC1CC(N1C(=O)CCC1=O)C2,HCDLWQMKTWHVFK-UHFFFAOYSA-N
-rxn:4:204808:226844,O=C(C1=CN(c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2)c2cc(Cl)ccc2S1(=O)=O)N1CCOCC1,ZXERRJMSAQCZDO-UHFFFAOYSA-N
-rxn:4:204816:223179,CCN1C(=O)C(=C2SC(=S)N(C(C)c3ccccc3)C2=O)c2cc(-c3ccc(F)c(C(=O)NOC)c3)ccc21,VPSNCGYCJDSKSO-UHFFFAOYSA-N
-rxn:4:204816:226844,CCN1C(=O)C(=C2SC(=S)N(C(C)c3ccccc3)C2=O)c2cc(-c3ccnc(C(=O)C(F)(F)F)c3)ccc21,JAYJRQFKJBNENM-UHFFFAOYSA-N
-rxn:4:204830:222913,O=C(C1=CN(c2cccc(-c3ccc(CNS(=O)(=O)C4CC4)cc3)c2)c2ccccc2S1(=O)=O)N1CCCCC1,DBJCEOXNYZRJOO-UHFFFAOYSA-N
-rxn:4:204830:226844,O=C(C1=CN(c2cccc(-c3ccnc(C(=O)C(F)(F)F)c3)c2)c2ccccc2S1(=O)=O)N1CCCCC1,BHVWSRPCQYUHSK-UHFFFAOYSA-N
-rxn:4:204834:226844,O=C(C1=CN(c2cccc(-c3ccnc(C(=O)C(F)(F)F)c3)c2)c2cc(Cl)ccc2S1(=O)=O)N1CCCCC1,LKVUXDBJFMPYAH-UHFFFAOYSA-N
-rxn:4:204835:223279,O=C(C1=CN(c2ccc(-c3cnc(C4CCCN4)nc3)cc2)c2cc(Cl)ccc2S1(=O)=O)N1CCCCC1,LGBRGWPHBHAQKY-UHFFFAOYSA-N
-rxn:4:204836:223179,CONC(=O)c1cc(-c2cccc(N3C=C(C(=O)N4CCCCC4)S(=O)(=O)c4ccc(F)cc43)c2)ccc1F,WBMAXYWZQAEMON-UHFFFAOYSA-N
-rxn:4:204836:225917,CCOC(=O)c1cc(F)c(-c2cccc(N3C=C(C(=O)N4CCCCC4)S(=O)(=O)c4ccc(F)cc43)c2)c(F)c1,QMQRNSRWKCRFCS-UHFFFAOYSA-N
-rxn:4:204842:223179,CONC(=O)c1cc(-c2ccc(N3C=C(C(=O)N4CCOCC4)S(=O)(=O)c4ccccc43)cc2C)ccc1F,MQTBVGDVYIUFLR-UHFFFAOYSA-N
-rxn:4:204842:225904,CON(C)C(=O)c1ccc(F)c(-c2ccc(N3C=C(C(=O)N4CCOCC4)S(=O)(=O)c4ccccc43)cc2C)c1,DMRJTHPPTYBAQO-UHFFFAOYSA-N
-rxn:4:204845:223179,CONC(=O)c1cc(-c2ccc(CN3C(=O)N(c4cc(C)cc(C)c4)C4CS(=O)(=O)CC43)c(F)c2)ccc1F,SNKDDZBONSMUEO-UHFFFAOYSA-N
-rxn:4:204864:223179,CONC(=O)c1cc(-c2ccc(N3C=C(C(=O)N4CCCCC4)S(=O)(=O)c4ccccc43)cc2C)ccc1F,PWSNQVOXALHKBP-UHFFFAOYSA-N
-rxn:4:204864:223279,Cc1cc(N2C=C(C(=O)N3CCCCC3)S(=O)(=O)c3ccccc32)ccc1-c1cnc(C2CCCN2)nc1,YFGCKDJJSXLXLI-UHFFFAOYSA-N
-rxn:4:204866:223279,CC1CCN(C(=O)C2=CN(c3ccc(-c4cnc(C5CCCN5)nc4)cc3)c3ccccc3S2(=O)=O)CC1,UHEKENJATLZDJM-UHFFFAOYSA-N
-rxn:4:204866:226844,CC1CCN(C(=O)C2=CN(c3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3)c3ccccc3S2(=O)=O)CC1,OOKKZOPZJSXCOI-UHFFFAOYSA-N
-rxn:4:204868:226844,CC1CCN(C(=O)C2=CN(c3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3)c3cc(Cl)ccc3S2(=O)=O)CC1,FGRALFZNACQYJZ-UHFFFAOYSA-N
-rxn:4:204869:223529,Cc1cc(N2C=C(C(=O)N3CCCCC3)S(=O)(=O)c3ccc(Cl)cc32)ccc1-c1ccc(CN2CCN(C(=O)OC(C)(C)C)CC2)c(F)c1,YJBGKQWINDDNIQ-UHFFFAOYSA-N
-rxn:4:204870:223279,Cc1cc(N2C=C(C(=O)N3CCCCC3)S(=O)(=O)c3ccc(F)cc32)ccc1-c1cnc(C2CCCN2)nc1,JIOVFRFWKOJBHR-UHFFFAOYSA-N
-rxn:4:204874:227751,O=C1C2C(c3ccc(-c4ccc(C(F)(F)F)c(Cl)c4)cc3)OC3(C(=O)c4ccccc4C3=O)C2C(=O)N1c1cccc([N+](=O)[O-])c1,YUQLBZLFSZDLCZ-UHFFFAOYSA-N
-rxn:4:204875:223179,CONC(=O)c1cc(-c2ccc(C3OC4(C(=O)c5ccccc5C4=O)C4C(=O)N(c5ccc([N+](=O)[O-])cc5)C(=O)C34)cc2)ccc1F,HJYHBLOWJWQXMB-UHFFFAOYSA-N
-rxn:4:204884:222871,CC(C)CNC(=O)c1ccc(-c2nc3c(s2)C2CCC(C3)N2C(=O)OC(C)(C)C)cc1Cl,LBNAJAVIHYKHHX-UHFFFAOYSA-N
-rxn:4:204955:227505,COc1ccc(C2=NN3C(C2)c2cc(-c4ccc(/C=C/[N+](=O)[O-])cc4)ccc2OC3C2CCCCC2)cc1,RRCDEZSZUJSKMV-ISLYRVAYSA-N
-rxn:4:205754:223777,CC(C)(C)OC(=O)N1CCc2c(ccc(-c3ccc(C#N)c(N4CC(F)(F)C4)c3)c2F)C1,UFRSAIUUZDQRSW-UHFFFAOYSA-N
-rxn:4:206439:223670,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2cnc(F)c(C(=O)N3CCOCC3)c2)CC1,ABHLOIZPGBRFIE-UHFFFAOYSA-N
-rxn:4:206515:223844,Cn1cc(-c2ccc(S(=O)(=O)N3CCCC3)cc2C(F)(F)F)cc1C(=O)N1CCC(F)(F)C1,RRNLILDWZTZMAR-UHFFFAOYSA-N
-rxn:4:206585:223834,Cc1cc(-c2nccc(C3CCCCC3)c2C#N)cc(C)c1S(=O)(=O)N1CCN(C)CC1,GJYDVCAWLXEFTL-UHFFFAOYSA-N
-rxn:4:206593:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3ccc(N4CCCCC4)c(C#N)c3)c2)CC1,QSXDZKFRZWDLEK-UHFFFAOYSA-N
-rxn:4:206607:223523,CCN1CCN(S(=O)(=O)c2ccc(-c3cc(C(=O)N4CCCCC4)cnc3Cl)c3ccccc23)CC1,RUGIHTVCAJIMBP-UHFFFAOYSA-N
-rxn:4:206714:222522,COc1ccc(-c2ccc(C3CCCN3S(C)(=O)=O)nc2)cc1S(=O)(=O)N1CCC(O)CC1,AEOFSBMSSPSFGY-UHFFFAOYSA-N
-rxn:4:206735:223506,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cccc(-c3cc(C(F)(F)F)cnc3N3CCCCC3)c2)CC1,SLWFGLFFBGLSNY-UHFFFAOYSA-N
-rxn:4:206797:222598,Cc1cc(-c2ccc(C3CN(S(C)(=O)=O)CCO3)nc2)cc(C)c1S(=O)(=O)NC1CCCC1,GWIFQIGNZMVQAD-UHFFFAOYSA-N
-rxn:4:206819:223844,O=C1C(=Cc2ccccn2)SC(=S)N1c1cccc(-c2ccc(S(=O)(=O)N3CCCC3)cc2C(F)(F)F)c1,QBHUHJFDRXHWHB-UHFFFAOYSA-N
-rxn:4:206959:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1cccc(N2CCN(S(C)(=O)=O)CC2)c1,IGSNOTSWDGIPJC-UHFFFAOYSA-N
-rxn:4:206960:224325,CS(=O)(=O)N1CC=C(c2ccc(-c3ccc(N4CCN(S(C)(=O)=O)CC4)cc3)cc2)CC1,GVJPBTKIHCHCLJ-UHFFFAOYSA-N
-rxn:4:206987:224426,Cc1cc(N2CCC(F)(F)CC2)c(-c2cc(C3CCCCC3)cc(C3CC3)c2)cc1[N+](=O)[O-],DNQZNCYVEDSMQE-UHFFFAOYSA-N
-rxn:4:207003:223902,COc1c(-c2ccc(OCCN3CCC(C)CC3)c(F)c2)cccc1N1CCN(C)CC1,DPAYQTLOJDHWAH-UHFFFAOYSA-N
-rxn:4:207015:224190,COc1ccc(-c2ccc(C(=O)N3CCN(C)CC3)c(C)c2)cc1O[Si](C)(C)C(C)(C)C,HHCQVGUEXWUMSG-UHFFFAOYSA-N
-rxn:4:207045:223958,CCN1CCN(C(=O)c2ccc(-c3cnc(N(C)C4CCCCC4)c(C)c3)cc2F)CC1,DNZYDFXYYPVOGU-UHFFFAOYSA-N
-rxn:4:207046:223712,COc1ccc(-c2ccc(C3CCCN(C(C)C)C3)nc2)cc1C12CC3CC(CC(C3)C1)C2,CMXACVMDTOWOBY-UHFFFAOYSA-N
-rxn:4:207091:226844,O=C1CC(N2CCCCCC2)C(=O)N1c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1,DKCIOGDJXBGNHX-UHFFFAOYSA-N
-rxn:4:207447:223834,Cc1cc(-c2cncc(C(=O)N3CC4CC3CS4)c2)cc(C)c1S(=O)(=O)N1CCN(C)CC1,IJNONVSHYDYKLF-UHFFFAOYSA-N
-rxn:4:207685:223557,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3cc(C(F)(F)F)c4ncn(C5CCCCO5)c4c3)c(F)ccc21,MPGQSFNXQPFWTP-UHFFFAOYSA-N
-rxn:4:207743:223575,CN1CCN(C(=O)c2cc3ccc(-c4ccccc4CN4CCN(C(=O)OC(C)(C)C)CC4)cc3s2)CC1,RNNFVBKLVZLTKH-UHFFFAOYSA-N
-rxn:4:207760:226844,CC(=O)N=C1SC2CS(=O)(=O)CC2N1c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1F,GILPSHYDRAHIKX-UHFFFAOYSA-N
-rxn:4:207770:223179,CCN1C(=O)C(=C2C(=O)N(CC)c3ccc(-c4ccc(F)c(C(=O)NOC)c4)cc32)SC1=S,QPQOPJGNKCUQIL-UHFFFAOYSA-N
-rxn:4:207795:223993,Cc1cc(-c2cncc(C(=O)N3C4CCC3CC(=C3CC3)C4)c2)ccc1S(=O)(=O)N1CCN(C)CC1,LKYUTUOYSCANNN-UHFFFAOYSA-N
-rxn:4:207818:223179,CCN1C(=O)C(=C2SC(=S)N(C(C)C)C2=O)c2cc(-c3ccc(F)c(C(=O)NOC)c3)ccc21,BETGPLTXKOTREQ-UHFFFAOYSA-N
-rxn:4:207854:225656,CC1CCCCN1c1cncc(-c2ccc3c(c2)CCN3C2CCN(C3CCC3)CC2)c1,ZKLBGCHDLNBMDC-UHFFFAOYSA-N
-rxn:4:207858:226844,CCN1C(=O)C(=C2SC(=S)N(C3CCCCC3)C2=O)c2cc(-c3ccnc(C(=O)C(F)(F)F)c3)ccc21,XDZKEUQYPBSFOD-UHFFFAOYSA-N
-rxn:4:207946:226844,COc1cc(-c2ccnc(C(=O)C(F)(F)F)c2)cc2c1OC1(CCCC1)N1N=C(c3ccc(Cl)cc3)CC21,IJDXDTQNXWUPFO-UHFFFAOYSA-N
-rxn:4:207958:223954,CCC1CCC2(CC1)Oc1ccc(-c3ccc(OCCN4CCC(=O)CC4)c(F)c3)cc1C1CC(c3ccccc3)=NN12,QPZVANDJERXIJF-UHFFFAOYSA-N
-rxn:4:207959:222486,Cc1ccc(C2=NN3C(C2)c2cc(-c4cncc(-c5cncc(C6CCCCN6)c5)c4)ccc2OC3C2CCCCC2)cc1,XFLMTCNDBYUXCN-UHFFFAOYSA-N
-rxn:4:207959:223137,Cc1ccc(C2=NN3C(C2)c2cc(-c4cncc(C5CCCNC5)c4)ccc2OC3C2CCCCC2)cc1,LDZFZPCAOZMOSM-UHFFFAOYSA-N
-rxn:4:207965:223279,COc1ccc(C2=NN3C(C2)c2cc(-c4cnc(C5CCCN5)nc4)ccc2OC32CCC(C)CC2)cc1,UYBHIALLJMPJTP-UHFFFAOYSA-N
-rxn:4:209558:223532,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)cc(-c3cncc(N4CCOCC4=O)c3)c2)CC1,IENLHQIVUVMTMD-UHFFFAOYSA-N
-rxn:4:209624:223660,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc(N4CCOCC4)nc3)s2)CC1,ATOMOMFRZCQSEU-UHFFFAOYSA-N
-rxn:4:209695:223539,COc1ccc(-c2cncc(C3=NC(C)(C)CO3)c2)cc1S(=O)(=O)N1CCC2(CC1)OCCO2,ZIVNHIJSCBVXPX-UHFFFAOYSA-N
-rxn:4:209720:223534,CN1CCC(c2ncc(-c3cc(OC4CCN(C(=O)OC(C)(C)C)CC4)ncc3F)s2)CC1,PQQHVZGXLLTFMF-UHFFFAOYSA-N
-rxn:4:210681:223670,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2ccc(C3=CSC4=NCCN34)cc2)CC1,LYYXIDXIMPADSS-UHFFFAOYSA-N
-rxn:4:210863:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cccc4sc(N5CCOCC5)nc34)c2Cl)CC1,VZERNIYVKBCEQP-UHFFFAOYSA-N
-rxn:4:211061:223179,CONC(=O)c1cc(-c2ccc3c(c2)C(=C2SC(=S)N(C4CCS(=O)(=O)C4)C2=O)C(=O)N3C)ccc1F,GFQUMZVVENNDIS-UHFFFAOYSA-N
-rxn:4:211061:226844,CN1C(=O)C(=C2SC(=S)N(C3CCS(=O)(=O)C3)C2=O)c2cc(-c3ccnc(C(=O)C(F)(F)F)c3)ccc21,FPHSNKXTZQNOSM-UHFFFAOYSA-N
-rxn:4:211073:224847,CC(C)(C)c1ccc(C(C)(C)C)c(-c2ccc3c(c2)N2CCCCC2=C(C#N)S3(=O)=O)c1,SIEAVKPAVJONEX-UHFFFAOYSA-N
-rxn:4:212526:223179,CONC(=O)c1cc(-c2cc([N+](=O)[O-])ccc2OCCN2CCC(C#N)CC2)ccc1F,DLWBBEYYQSQSOA-UHFFFAOYSA-N
-rxn:4:212529:223179,CONC(=O)c1cc(-c2cnc(OC3CCN(C(=O)CCC(F)(F)F)CC3)nc2)ccc1F,OWYMXGPVYRYKQF-UHFFFAOYSA-N
-rxn:4:212529:223279,O=C(CCC(F)(F)F)N1CCC(Oc2ncc(-c3cnc(C4CCCN4)nc3)cn2)CC1,HEKGWJDQFRLXOQ-UHFFFAOYSA-N
-rxn:4:212541:224272,CC(C)(C)OC(=O)N1CC(COc2cncc(-c3cc4ccncc4n3C(=O)OC(C)(C)C)n2)C1,MQXQLGGVEXYNAX-UHFFFAOYSA-N
-rxn:4:212547:223537,CCOCCN1CCC(Oc2ncc(-c3cc4cc(OC(F)(F)F)ccc4n3C(=O)OC(C)(C)C)cn2)CC1,JVUVINUJPORTJH-UHFFFAOYSA-N
-rxn:4:212560:223522,CC(C)(C)[Si](C)(C)OC1CCN(c2cc(F)cc(-c3ccccc3C(=O)N3CCN=C3SCc3ccc([N+](=O)[O-])cc3)c2)CC1,IDYKCPRVNURATA-UHFFFAOYSA-N
-rxn:4:212571:223179,CONC(=O)c1cc(-c2cn(C)nc2OCC2CN(C(=O)OC(C)(C)C)C2)ccc1F,CJZWEHNSUUKEDH-UHFFFAOYSA-N
-rxn:4:212580:222720,O=S(=O)(Cc1ccc(C(F)(F)F)cc1)N1CC(Cn2cc(-c3ccc(N4CCNCC4)cc3C(F)(F)F)cn2)C1,FKTLBOOCHFNZLR-UHFFFAOYSA-N
-rxn:4:212581:225918,CCOC(=O)c1cc(-c2ccc(CSC3=NCCN3S(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2)c(F)cc1Cl,MHEQYBOTBZUSOJ-UHFFFAOYSA-N
-rxn:4:212585:225572,COC(=O)c1ccc(C2CC2)cc1-c1cnn(C)c1CN(C(=O)OC(C)(C)C)C(C)C,BPSCYRHRLYPRBO-UHFFFAOYSA-N
-rxn:4:212593:223179,CONC(=O)c1cc(-c2ccc(C(=O)N(C)C3CN(C(=O)OC(C)(C)C)C3)cn2)ccc1F,HBQXBCZKRAYMDT-UHFFFAOYSA-N
-rxn:4:212605:223279,Cn1cc(-c2cnc(C3CCCN3)nc2)c(OCC2CCN(C(=O)OC(C)(C)C)C2)n1,WYXFQMIGZCZHDF-UHFFFAOYSA-N
-rxn:4:212608:222546,CC(=O)OC(C)(C)C(=O)N1CCCC(Oc2ncc(-c3ccc(OCCNC4CCCCC4)c(F)c3)cn2)C1,CZZOAECSCFFTSC-UHFFFAOYSA-N
-rxn:4:212610:224702,CCn1c(-c2ccc(-c3cc(F)c(OC4CCCC4)c(F)c3C)cc2)cnc1SCC(=O)N1CCCC1,SKXDFTIMBZPYFJ-UHFFFAOYSA-N
-rxn:4:212618:223179,CONC(=O)c1cc(-c2cnc(OCC3CCCN(C(=O)OC(C)(C)C)C3)cn2)ccc1F,URHHPPJUWINHMJ-UHFFFAOYSA-N
-rxn:4:212619:223179,CONC(=O)c1cc(-c2cnc(OCC3CCCN(C(=O)OC(C)(C)C)C3)nc2)ccc1F,RDUGGEVOZUIFID-UHFFFAOYSA-N
-rxn:4:212622:224125,O=C(Cc1ccc(F)cc1)N1CCCC(COc2ncc(-c3ccc(CN4CCN(C5CC5)CC4)cc3)cn2)C1,JESSMCLRNPYDDO-UHFFFAOYSA-N
-rxn:4:212628:223179,CONC(=O)c1cc(-c2cnc(OC3CCCN(C(=O)Cc4cccc(C(F)(F)F)c4)C3)nc2)ccc1F,KIWHPVQYHFBWCX-UHFFFAOYSA-N
-rxn:4:212630:226844,O=C(c1cncc(-c2ccnc(C(=O)C(F)(F)F)c2)c1)N1CCCC(COc2ncccc2C(F)(F)F)C1,PRNGRANLQQAANH-UHFFFAOYSA-N
-rxn:4:212635:223179,CONC(=O)c1cc(-c2cnn(C)c2CN(C(=O)OC(C)(C)C)C2CCCC2)ccc1F,KVEHWLSCFBNIME-UHFFFAOYSA-N
-rxn:4:212636:223279,CC(C)(C)OC(=O)N1CCC(CCn2cc(-c3cnc(C4CCCN4)nc3)cn2)CC1,KZSAAZPFBKPEIW-UHFFFAOYSA-N
-rxn:4:212637:223279,CN(C(=O)c1ccc(-c2cnc(C3CCCN3)nc2)nc1)C1CCN(C(=O)OC(C)(C)C)C1,BFAHCQVPUDWERE-UHFFFAOYSA-N
-rxn:4:212637:226844,CN(C(=O)c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)nc1)C1CCN(C(=O)OC(C)(C)C)C1,PVURGHDSYFKBAR-UHFFFAOYSA-N
-rxn:4:212641:223179,COCCN1C(=O)CN(C2CCN(C(=O)c3ccc(-c4ccc(F)c(C(=O)NOC)c4)o3)CC2)C1=O,HSLFFQRIHPWDDB-UHFFFAOYSA-N
-rxn:4:212645:223179,CONC(=O)c1cc(-c2cn(C)nc2CN(C(=O)OC(C)(C)C)C2CCOCC2)ccc1F,IYTVMZJXQRDLPA-UHFFFAOYSA-N
-rxn:4:212645:226844,Cn1cc(-c2ccnc(C(=O)C(F)(F)F)c2)c(CN(C(=O)OC(C)(C)C)C2CCOCC2)n1,FVARKNDVSCYADI-UHFFFAOYSA-N
-rxn:4:212646:223179,CONC(=O)c1cc(-c2cnn(C)c2CN(C(=O)OC(C)(C)C)C2CCOCC2)ccc1F,OQSPQOYGOVOHCO-UHFFFAOYSA-N
-rxn:4:212647:223842,CC1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2cnc(CCC3CCCCN3C(=O)OC(C)(C)C)cn2)CC1,LSJAQATXMAVMOF-UHFFFAOYSA-N
-rxn:4:212647:226844,CC(C)(C)OC(=O)N1CCCCC1CCc1cnc(-c2ccnc(C(=O)C(F)(F)F)c2)cn1,PAZUSRLRSUHBKA-UHFFFAOYSA-N
-rxn:4:212648:225901,Cc1nn(C(=O)OC(C)(C)C)cc1-c1cn(C)nc1OCC1CCN(C(=O)OC(C)(C)C)CC1,HSZYQAXQCHLYSO-UHFFFAOYSA-N
-rxn:4:212648:226844,Cn1cc(-c2ccnc(C(=O)C(F)(F)F)c2)c(OCC2CCN(C(=O)OC(C)(C)C)CC2)n1,JSBJZCQNQQWDTI-UHFFFAOYSA-N
-rxn:4:212649:223179,CCC(C)(C)C(=O)N1CCCC(COc2ncc(-c3ccc(F)c(C(=O)NOC)c3)cn2)C1,KDZMZTWCWCNZTK-UHFFFAOYSA-N
-rxn:4:212649:227275,CCCOc1c(F)cccc1-c1cnc(OCC2CCCN(C(=O)C(C)(C)CC)C2)nc1,BERHJWVNNJAGBL-UHFFFAOYSA-N
-rxn:4:212649:227480,CCCOc1nccc(-c2cnc(OCC3CCCN(C(=O)C(C)(C)CC)C3)nc2)c1Cl,LVBJMMYURNDNJA-UHFFFAOYSA-N
-rxn:4:212651:223179,CONC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2CN2CCN(C(=O)OC(C)(C)C)CC2)ccc1F,WKIINGSCVYQUMT-UHFFFAOYSA-N
-rxn:4:212652:223279,COC(=O)c1cc(-c2cnc(C3CCCN3)nc2)nc(N2CCN(C(=O)OC(C)(C)C)CC2)c1,XRFAZLQCGJRXIC-UHFFFAOYSA-N
-rxn:4:212652:226844,COC(=O)c1cc(-c2ccnc(C(=O)C(F)(F)F)c2)nc(N2CCN(C(=O)OC(C)(C)C)CC2)c1,MPGAWLDFYITTET-UHFFFAOYSA-N
-rxn:4:212675:223279,COc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)c(-c2cnc(C3CCCN3)nc2)cc1[N+](=O)[O-],DOZQGKOAYWTWMS-UHFFFAOYSA-N
-rxn:4:212678:224759,Cc1cnc(OCC2CCCN(C(=O)Cc3ccccc3-c3cc(F)cc(C(=O)N4CCOCC4)c3)C2)nc1,WKWUONMRIBFNNI-UHFFFAOYSA-N
-rxn:4:212689:223179,CONC(=O)c1cc(-c2cn(C)nc2CN(C(=O)OC(C)(C)C)C2CCCCC2)ccc1F,ICLSXXDEVALKIG-UHFFFAOYSA-N
-rxn:4:212689:226844,Cn1cc(-c2ccnc(C(=O)C(F)(F)F)c2)c(CN(C(=O)OC(C)(C)C)C2CCCCC2)n1,VVOAYXUDVLZHAS-UHFFFAOYSA-N
-rxn:4:212690:223179,CONC(=O)c1cc(-c2cnn(C)c2CN(C(=O)OC(C)(C)C)C2CCCCC2)ccc1F,BZIOMCYJCAGXKK-UHFFFAOYSA-N
-rxn:4:212691:223279,CN(C(=O)c1ccc(-c2cnc(C3CCCN3)nc2)nc1)C1CCN(C(=O)OC(C)(C)C)CC1,SHOKFFYWRWLTQU-UHFFFAOYSA-N
-rxn:4:212691:226844,CN(C(=O)c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)nc1)C1CCN(C(=O)OC(C)(C)C)CC1,VXRMFMWWVVJFFJ-UHFFFAOYSA-N
-rxn:4:212692:226844,CC1CN(C(=O)Cc2cncc(-c3ccnc(C(=O)C(F)(F)F)c3)c2)CCN1C(=O)OC(C)(C)C,DCZXXUOUZUNZIN-UHFFFAOYSA-N
-rxn:4:212693:225081,CC1CN(C(=O)OC(C)(C)C)CCN1C(=O)Cc1cncc(-c2ccc(OC(F)F)c3ccccc23)c1,ZHZHXRRKNFXXKJ-UHFFFAOYSA-N
-rxn:4:212695:223179,CONC(=O)c1cc(-c2ccccc2CCC(=O)N2CCC(S(=O)(=O)c3nccn3C)CC2)ccc1F,JEQGRTYYYSGADY-UHFFFAOYSA-N
-rxn:4:212720:223279,CN(C(=O)c1ccc(-c2cnc(C3CCCN3)nc2)nc1)C1CCCN(C(=O)OC(C)(C)C)CC1,UFEMNFDWUKKWII-UHFFFAOYSA-N
-rxn:4:212720:226844,CN(C(=O)c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)nc1)C1CCCN(C(=O)OC(C)(C)C)CC1,HZODWYJTFPUTEQ-UHFFFAOYSA-N
-rxn:4:212721:226844,CC(C)C(=O)N1CCN(c2cc(C(=O)OC(C)(C)C)cc(-c3ccnc(C(=O)C(F)(F)F)c3)n2)CC1,PDIFNMIUCXGMCL-UHFFFAOYSA-N
-rxn:4:212728:222777,COc1cc(OC)cc(-c2noc(C3CCN(S(=O)(=O)c4ccc(-c5ccc(CN6CCC(O)CC6)c(Cl)c5)cc4)CC3)n2)c1,ASKODTCWPSBDPS-UHFFFAOYSA-N
-rxn:4:212736:223179,CONC(=O)c1cc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)c(N3CCCC3)c2)ccc1F,DTPVMGPCEKFIPQ-UHFFFAOYSA-N
-rxn:4:212736:226844,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2N2CCCC2)CC1,GSYYAZSEHAYEKB-UHFFFAOYSA-N
-rxn:4:212741:223179,CONC(=O)c1cc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)C(C)C3)c(N3CCCC3)c2)ccc1F,GRHACHRELMUOOM-UHFFFAOYSA-N
-rxn:4:212744:223179,CONC(=O)c1cc(-c2cc(CN3CCC(F)(F)CC3)cc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)ccc1F,HIHAGXSXRYKZSS-UHFFFAOYSA-N
-rxn:4:212744:225385,CC(C)(C)OC(=O)N1CCN(c2cc(CN3CCC(F)(F)CC3)cc(-c3cc(C(F)(F)F)nc(C(F)(F)F)c3)c2)CC1,ZTOLVJRIOLHRAS-UHFFFAOYSA-N
-rxn:4:212745:223179,CONC(=O)c1cc(-c2cc(CN3CCOCC3)cc(N3CCN(C(=O)OC(C)(C)C)C(C)C3)c2)ccc1F,WHEPWFDQSWBWEJ-UHFFFAOYSA-N
-rxn:4:212745:223279,CC1CN(c2cc(CN3CCOCC3)cc(-c3cnc(C4CCCN4)nc3)c2)CCN1C(=O)OC(C)(C)C,VVDAHKMOQCMNAY-UHFFFAOYSA-N
-rxn:4:212746:226844,CC1CN(Cc2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2N2CCOCC2)CCN1C(=O)OC(C)(C)C,NJHSVLPQJQAZIT-UHFFFAOYSA-N
-rxn:4:212747:223179,CONC(=O)c1cc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3C)c(N3CCOCC3)c2)ccc1F,OIUPCHMCNKPRQC-UHFFFAOYSA-N
-rxn:4:212765:224971,CN1CCN(Cc2ccc(-c3ccc(OC(F)F)c(CCC(=O)N4CCc5ncncc5C4)c3)cc2)CC1,ZZPDYTUZMDTLAG-UHFFFAOYSA-N
-rxn:4:212770:223179,CCOC(=O)c1nn2c(c1-c1ccc(F)c(C(=O)NOC)c1)CN(C(=O)OC(C)(C)C)CC2,MXUWUQDSKUNBJD-UHFFFAOYSA-N
-rxn:4:212771:223179,CONC(=O)c1cc(-c2ccc3nc(N(CCN(C)C)C(=O)C4=COCCO4)sc3c2)ccc1F,BOWFCXMHCHEWAE-UHFFFAOYSA-N
-rxn:4:212771:226844,CN(C)CCN(C(=O)C1=COCCO1)c1nc2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2s1,OHXCVCCLLLTOCE-UHFFFAOYSA-N
-rxn:4:212791:226844,CCOC(=O)c1nn2c(c1-c1ccnc(C(=O)C(F)(F)F)c1)CN(C(=O)OC(C)(C)C)CCC2,MRPAMESTGGIWCK-UHFFFAOYSA-N
-rxn:4:212808:226844,CCCCN1C(=O)C(=Cc2c(Oc3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3)nc3ccccn3c2=O)SC1=S,JBJDDOMWSNLBRU-UHFFFAOYSA-N
-rxn:4:212814:225015,COc1ccccc1-c1cc(-c2c3c(nn2C(=O)OC(C)(C)C)C(C)(C)N(C(=O)OC(C)(C)C)C3)ccn1,JUEQLKGIXINEEE-UHFFFAOYSA-N
-rxn:4:212822:223179,CONC(=O)c1cc(-c2ccc3ccn(CC(=O)N4CCN(S(=O)(=O)c5ccc(OC)cc5)CC4)c3c2)ccc1F,YPUOYZNTOCYATM-UHFFFAOYSA-N
-rxn:4:212822:226844,COc1ccc(S(=O)(=O)N2CCN(C(=O)Cn3ccc4ccc(-c5ccnc(C(=O)C(F)(F)F)c5)cc43)CC2)cc1,ZJTFEZQLGSLNKR-UHFFFAOYSA-N
-rxn:4:212823:223179,CONC(=O)c1cc(-c2ccc3c(ccn3CC(=O)N3CCN(S(=O)(=O)c4ccc(OC)cc4)CC3)c2)ccc1F,XUNXSCCJIAOCIH-UHFFFAOYSA-N
-rxn:4:212827:223179,CONC(=O)c1cc(-c2ccc3[nH]c(C(=O)N4CCC(N(C)C(=O)OC(C)(C)C)CC4)cc3c2)ccc1F,FFWYXOLXKRPGOY-UHFFFAOYSA-N
-rxn:4:212828:226844,COc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)c(C(=O)N(Cc2nn(C)c3c2CCC3)C2CCCC2)c1,BIQUAYPOWKKBCK-UHFFFAOYSA-N
-rxn:4:212831:223279,COC(=O)CN1C(CN2CCOCC2)=Nc2ccc(-c3cnc(C4CCCN4)nc3)cc2C1c1ccccc1,LYEMNGZZFLICEK-UHFFFAOYSA-N
-rxn:4:212839:223057,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4cc(Cl)nc(C5CCCNC5)c4)ccn23)CC1,HKXZBDZTAKJAGT-UHFFFAOYSA-N
-rxn:4:212839:223058,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4cc(F)nc(C5CCCNC5)c4)ccn23)CC1,XWODOANEPFENKA-UHFFFAOYSA-N
-rxn:4:212839:223279,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4cnc(C5CCCN5)nc4)ccn23)CC1,XBZWCZSXLWYQCD-UHFFFAOYSA-N
-rxn:4:212939:222919,CC(C)(C)NS(=O)(=O)c1ccc(-c2cnc(CC3CN(C(=O)OC(C)(C)C)C3)nc2)cc1,DAYKOAUMRJWSIO-UHFFFAOYSA-N
-rxn:4:212967:225548,CCOC(=O)c1ccc(CC)cc1-c1cnc(OCC2CCN(C(=O)C3CC3)CC2)nc1,IJCAUMFJJQEOTQ-UHFFFAOYSA-N
-rxn:4:212973:223279,O=C(CN1CCOC1=O)N1CCC(Oc2ncccc2-c2cnc(C3CCCN3)nc2)C1,HJWMXPDLQRPQNP-UHFFFAOYSA-N
-rxn:4:212988:224271,CC(C)(C)OC(=O)N1CCN(C(=O)c2csc(-c3cc4cccnc4n3C(=O)OC(C)(C)C)n2)CC1,AZBMDRBCVTTZTF-UHFFFAOYSA-N
-rxn:4:213002:222735,O=C(NC1CCCCC1)c1cccc(-c2cnccc2OC2CCN(C(=O)CN3C(=O)CCC3=O)C2)c1,DEGSVMAJRVWDFO-UHFFFAOYSA-N
-rxn:4:213010:223670,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2cnn(C[C@@H]3CN(C(=O)OC(C)(C)C)CCO3)c2)CC1,UETNQHKJCYCLEG-NRFANRHFSA-N
-rxn:4:213011:222655,CC(C)C(=O)N1CCCC(COc2ncc(-c3ccc(C(=O)NC4CCCCC4)c(Cl)c3)cn2)C1,QKGYPGWMYCLFPQ-UHFFFAOYSA-N
-rxn:4:213040:226844,Cc1nc(-c2ccnc(C(=O)C(F)(F)F)c2)cnc1OC1CCN(C(=O)OC(C)(C)C)C1,KMKJFTACYROVMY-UHFFFAOYSA-N
-rxn:4:213042:223179,CONC(=O)c1cc(-c2cnc(OC3CCCN(C(=O)OC(C)(C)C)C3)cn2)ccc1F,PZQCKLBDUJHWRE-UHFFFAOYSA-N
-rxn:4:213042:226240,COC(=O)CCc1ccc(-c2cnc(OC3CCCN(C(=O)OC(C)(C)C)C3)cn2)cc1,CBUOWHSRQMVIAK-UHFFFAOYSA-N
-rxn:4:213043:223179,CONC(=O)c1cc(-c2cnc(OC3CCCN(C(=O)OC(C)(C)C)C3)nc2)ccc1F,WWJZPVPRRMYAQP-UHFFFAOYSA-N
-rxn:4:213046:226844,Cc1nc(OC2CCN(C(=O)OC(C)(C)C)C2)ncc1-c1ccnc(C(=O)C(F)(F)F)c1,CUAJWBJQIOTYQJ-UHFFFAOYSA-N
-rxn:4:213051:224022,O=C(c1ccc(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)o1)N1CCCC(Cc2nc(C3CC3)no2)C1,LKQNYBATKQXRMO-UHFFFAOYSA-N
-rxn:4:213072:226844,CC(C)(C)OC(=O)N1CCCC(Cn2cc(-c3ccnc(C(=O)C(F)(F)F)c3)cn2)C1,JBXHRWGUJLBSIE-UHFFFAOYSA-N
-rxn:4:213075:223738,CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(-c3ccc4cc(O[Si](C)(C)C(C)(C)C)ccc4c3)n2)CC1,UTWOQWHXQCIPMY-UHFFFAOYSA-N
-rxn:4:213075:223928,CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(-c3cnc4c(c3)CN(C(=O)OC(C)(C)C)CC4)n2)CC1,WEFRVITYSCIQAQ-UHFFFAOYSA-N
-rxn:4:213075:226844,CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(-c3ccnc(C(=O)C(F)(F)F)c3)n2)CC1,CKWVJPKKYDPQHS-UHFFFAOYSA-N
-rxn:4:213076:222606,CC(C)N(C(C)C)S(=O)(=O)c1ccc(-n2cc(-c3cccc(C(F)(F)F)c3C(=O)NC(C)(C)C)cn2)cc1,LHXMHMCGCNVVCF-UHFFFAOYSA-N
-rxn:4:213077:224712,CC(=O)OC(OC(C)=O)c1ccc(-c2cn(C3CCN(C(=O)OC(C)(C)C)CC3)nc2C(F)F)cc1,VNYYDVNNENBTQO-UHFFFAOYSA-N
-rxn:4:213079:223179,CONC(=O)c1cc(-c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cn2)ccc1F,QZBGQLGCUFRXFC-UHFFFAOYSA-N
-rxn:4:213079:226844,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)nc2)CC1,KSYXVTLIZHVOIN-UHFFFAOYSA-N
-rxn:4:213081:223279,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(C4CCCN4)nc3)cc2C#N)CC1,QOKLCHOUUWMRHF-UHFFFAOYSA-N
-rxn:4:213081:226844,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2C#N)CC1,ZQONSYIXWXVVHD-UHFFFAOYSA-N
-rxn:4:213088:223179,CONC(=O)c1cc(-c2cccc(N3CCN(C(=O)OC(C)(C)C)CC3)c2C#N)ccc1F,MBDCGYKHWSFHDV-UHFFFAOYSA-N
-rxn:4:213092:223179,CONC(=O)c1cc(-c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)ccc2C#N)ccc1F,QUOINRBEWTXAHA-UHFFFAOYSA-N
-rxn:4:213093:223279,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(C4CCCN4)nc3)c(C#N)c2)CC1,WBZQAJAMYKUXPI-UHFFFAOYSA-N
-rxn:4:213094:223198,CC(C)(C)OC(=O)N1CCN(c2c(C#N)cccc2-c2cccc(CNC3CC3)c2)CC1,QLGAHVNCEPWOTJ-UHFFFAOYSA-N
-rxn:4:213094:223972,CC1CCCCN1c1ccc(-c2cccc(C#N)c2N2CCN(C(=O)OC(C)(C)C)CC2)c(C(F)(F)F)c1,HTOZDYHCHUCNSO-UHFFFAOYSA-N
-rxn:4:213094:226844,CC(C)(C)OC(=O)N1CCN(c2c(C#N)cccc2-c2ccnc(C(=O)C(F)(F)F)c2)CC1,CSRBVCXKXVKMJT-UHFFFAOYSA-N
-rxn:4:213095:223179,CONC(=O)c1cc(-c2cc(C#N)ccc2N2CCN(C(=O)OC(C)(C)C)CC2)ccc1F,NOXXPXNDJJZXOQ-UHFFFAOYSA-N
-rxn:4:213097:223065,CC(C)(C)OC(=O)N1CCC(C#N)(c2ccc(-c3ccc(N4CCNCC4)cc3F)cn2)CC1,FYIPKLXJPGBDJO-UHFFFAOYSA-N
-rxn:4:213097:227228,CC(C)COc1ccc(-c2ccc(C3(C#N)CCN(C(=O)OC(C)(C)C)CC3)nc2)cn1,CMPZVMGYRPNRHI-UHFFFAOYSA-N
-rxn:4:213098:223179,CONC(=O)c1cc(-c2cc(C#N)cc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)ccc1F,DYWVPENMBFJXFY-UHFFFAOYSA-N
-rxn:4:213123:225112,CCOc1cc(-c2ccccc2CC(=O)N2CCN(c3ccnc(C(F)(F)F)c3)C(=O)C2)cc(Cl)c1OC(C)C,KQYWLCRSNIPZKH-UHFFFAOYSA-N
-rxn:4:213124:223179,CONC(=O)c1cc(-c2cnc(N(CC(C)C)C3CCCCC3)c([N+](=O)[O-])c2)ccc1F,HCQHMFGWQGLDND-UHFFFAOYSA-N
-rxn:4:213124:226844,CC(C)CN(c1ncc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1[N+](=O)[O-])C1CCCCC1,UUVYPVMKHBTCTC-UHFFFAOYSA-N
-rxn:4:213128:226844,COc1nc(-c2ccnc(C(=O)C(F)(F)F)c2)cn1C1CCCN(C(=O)OC(C)(C)C)C1,YQJYQMIGEDRBKQ-UHFFFAOYSA-N
-rxn:4:213131:226844,CC(C)(C)C(=O)N1CCC(COc2ncc(-c3ccnc(C(=O)C(F)(F)F)c3)cn2)CC1,ZKFUNTXBDHVGNR-UHFFFAOYSA-N
-rxn:4:213132:223179,CONC(=O)c1cc(-c2cnc(OCC3CCCN(C(=O)C(C)(C)C)C3)nc2)ccc1F,PEZACPRSBAOEFO-UHFFFAOYSA-N
-rxn:4:213133:223179,CONC(=O)c1cc(-c2cnc(OCC3CCN(CC4CCCO4)CC3)nc2)ccc1F,IDOVJVRVWXXMFC-UHFFFAOYSA-N
-rxn:4:213134:223893,CCN1CCN(CCOc2cccc(-c3cnc(OC4CCN(C(=O)C(C)(C)CC)CC4)nc3)c2)CC1,VQNNORSIHGVVMF-UHFFFAOYSA-N
-rxn:4:213135:223179,CONC(=O)c1cc(-c2cnc(OC3CCN(C(=O)CC(C)(C)C)CC3)nc2)ccc1F,MYAUJMVCYPRXLC-UHFFFAOYSA-N
-rxn:4:213141:223279,CC(C)(C)OC(=O)N1CCN(c2ccc([N+](=O)[O-])c(-c3cnc(C4CCCN4)nc3)c2)CC1,CRZNNULSWJGSKH-UHFFFAOYSA-N
-rxn:4:213141:224307,CC(C)(C)OC(=O)N1CCN(c2ccc([N+](=O)[O-])c(-c3c(F)cc(O[Si](C)(C)C(C)(C)C)cc3F)c2)CC1,ZYOCESYIYVAKFP-UHFFFAOYSA-N
-rxn:4:213141:226844,CC(C)(C)OC(=O)N1CCN(c2ccc([N+](=O)[O-])c(-c3ccnc(C(=O)C(F)(F)F)c3)c2)CC1,QDBTWOILHFDVTH-UHFFFAOYSA-N
-rxn:4:213142:226844,CC(C)(C)OC(=O)N1CCN(c2cccc(-c3ccnc(C(=O)C(F)(F)F)c3)c2[N+](=O)[O-])CC1,PFJUKSMNYPOFOT-UHFFFAOYSA-N
-rxn:4:213142:227000,CC(C)(C)OC(=O)N1CCN(c2cccc(-c3ccccc3OCC3CC3)c2[N+](=O)[O-])CC1,ULFPFQGMLYCHNA-UHFFFAOYSA-N
-rxn:4:213144:223179,CONC(=O)c1cc(-c2cc([N+](=O)[O-])ccc2N2CCN(C(=O)OC(C)(C)C)CC2)ccc1F,SBCAHADULOJQSC-UHFFFAOYSA-N
-rxn:4:213144:223279,CC(C)(C)OC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2-c2cnc(C3CCCN3)nc2)CC1,XJLJECSGCLIRNI-UHFFFAOYSA-N
-rxn:4:213144:226585,CN(C)C(=O)c1ccc(Cl)c(-c2cc([N+](=O)[O-])ccc2N2CCN(C(=O)OC(C)(C)C)CC2)c1,CNYFVAXRRIKBMT-UHFFFAOYSA-N
-rxn:4:213147:223179,CONC(=O)c1cc(-c2cncc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)ccc1F,JOWIUZPVEIEKLC-UHFFFAOYSA-N
-rxn:4:213163:226844,O=C(C1CCCC1)N1CCC(COc2ncc(-c3ccnc(C(=O)C(F)(F)F)c3)cn2)CC1,LAPPHVNJLGDMKU-UHFFFAOYSA-N
-rxn:4:213164:223279,O=C(C1CCCC1)N1CCCC(COc2ncc(-c3cnc(C4CCCN4)nc3)cn2)C1,YGVJAJBNMIMUDC-UHFFFAOYSA-N
-rxn:4:213169:224409,O=C(CSc1ccc(-c2ccc(-c3cc(OCC(F)(F)F)cc(C(F)(F)F)c3)cc2)nn1)N1CCCCCC1,NUJJXFJRMAHXKW-UHFFFAOYSA-N
-rxn:4:213188:223179,CONC(=O)c1cc(-c2ccccc2C(=O)N2CCC(N3CC(=O)N(CC(F)(F)F)C3=O)CC2)ccc1F,RCXALZJBSDWQGB-UHFFFAOYSA-N
-rxn:4:213192:223168,CC(=O)N1CCN(c2cc(C(=O)OC(C)(C)C)cc(-c3cccnc3N3CCNCC3)n2)CC1,CSBMCAPYHPROFV-UHFFFAOYSA-N
-rxn:4:213192:223279,CC(=O)N1CCN(c2cc(C(=O)OC(C)(C)C)cc(-c3cnc(C4CCCN4)nc3)n2)CC1,OAJMDICEZIWJPZ-UHFFFAOYSA-N
-rxn:4:213195:223027,CCCNC(=O)c1cc(F)cc(-c2cnc(OCC3CCN(C(=O)C4CCOCC4)CC3)nc2)c1,DJEZTEIGPCJVIH-UHFFFAOYSA-N
-rxn:4:213195:226844,O=C(C1CCOCC1)N1CCC(COc2ncc(-c3ccnc(C(=O)C(F)(F)F)c3)cn2)CC1,DRJCKBBDRLMNLK-UHFFFAOYSA-N
-rxn:4:213196:223945,O=C(C1CCOCC1)N1CCCC(COc2ncc(-c3ccc(OCCCN4CCOCC4)c(F)c3)cn2)C1,XTNHINLRBLXTTO-UHFFFAOYSA-N
-rxn:4:213197:226844,CCOC(=O)N1CCN(C2CC(=O)N(c3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3)C2=O)CC1,MURKCEYXAZVLKQ-UHFFFAOYSA-N
-rxn:4:213203:222715,Cc1ccc(OCC2CCN(S(=O)(=O)c3ccc(-c4cc(Cl)c(F)c(NC(=O)OC(C)(C)C)c4)cc3)CC2)nn1,ANWSZWSOYFOIMQ-UHFFFAOYSA-N
-rxn:4:213207:222584,COc1ccc(-c2ccc(OCCCN3CCNCC3)c(F)c2)c(C(=O)N2CCC(c3nnc(-c4ccco4)s3)CC2)c1,WBNBCMGTASDLDN-UHFFFAOYSA-N
-rxn:4:213217:223279,CCN1CCN(c2ncc(-c3cnc(C4CCCN4)nc3)cc2C(=O)OC(C)(C)C)CC1,SQLHOIBIDHIYSF-UHFFFAOYSA-N
-rxn:4:213220:223279,CC1CN(c2ccc(-c3cnc(C4CCCN4)nc3)cc2[N+](=O)[O-])CCN1C(=O)OC(C)(C)C,CEAWXYDMFUFVDG-UHFFFAOYSA-N
-rxn:4:213220:226844,CC1CN(c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2[N+](=O)[O-])CCN1C(=O)OC(C)(C)C,BKUGNKMAMBXNCH-UHFFFAOYSA-N
-rxn:4:213221:223179,CONC(=O)c1cc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3C)c([N+](=O)[O-])c2)ccc1F,KLGSYFICTULZKL-UHFFFAOYSA-N
-rxn:4:213228:223179,CONC(=O)c1cc(-c2cncc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)C(C)C3)c2)ccc1F,OBFNIPSMEKVNCQ-UHFFFAOYSA-N
-rxn:4:213228:224484,CC1CN(S(=O)(=O)c2cncc(-c3ccccc3C(=O)N(C(C)C)C(C)C)c2)CCN1C(=O)OC(C)(C)C,YYPUXAHSGSWIEK-UHFFFAOYSA-N
-rxn:4:213228:227537,COC(=O)c1cc(Cl)cc(-c2cncc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)C(C)C3)c2)c1,ZCPTUBJLEWUHRT-UHFFFAOYSA-N
-rxn:4:213253:224365,CCCCOc1cc(-c2cnccc2OC2CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)C2)cc(C(F)(F)F)c1F,DRCMSXGOUHGERK-UHFFFAOYSA-N
-rxn:4:213257:223179,CONC(=O)c1cc(-c2c(C)nn(CC3CCN(C(=O)OC(C)(C)C)CC3)c2C)ccc1F,XXSDHYLYKWNMBC-UHFFFAOYSA-N
-rxn:4:213259:223179,CONC(=O)c1cc(-c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)C(C)(C)C3)cn2)ccc1F,LSFVQOSMZKHBNA-UHFFFAOYSA-N
-rxn:4:213259:226844,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)nc2)CC1(C)C,AIEQLNFNCILTMX-UHFFFAOYSA-N
-rxn:4:213260:223179,CONC(=O)c1cc(-c2cnc(OCC3CCCN(CC4CCS(=O)(=O)CC4)C3)nc2)ccc1F,YJGALEVQFIJUOJ-UHFFFAOYSA-N
-rxn:4:213262:225758,CN(C)c1ccc(C(=S)N2CCN(C(=S)c3ccc(-c4ccncc4C(=O)OC(C)(C)C)cc3)CC2)cc1,LVODGZWSHBLIMZ-UHFFFAOYSA-N
-rxn:4:213266:223179,CONC(=O)c1cc(-c2cc(C(=O)OC(C)(C)C)cc(N3CCN(C(C)C)CC3)n2)ccc1F,FXOCEGTZWPYDAV-UHFFFAOYSA-N
-rxn:4:213269:226844,COc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)c(C(=O)N2CCC(n3nc(C4CC4)ccc3=O)CC2)c1,AFBRHPOFEVWTMS-UHFFFAOYSA-N
-rxn:4:213280:226844,O=C(c1cc(-c2ccc(CN3CCN(CC(F)(F)F)CC3)c(N3CCCCC3)c2)ccn1)C(F)(F)F,FRXNJWMCEHTOIK-UHFFFAOYSA-N
-rxn:4:213281:222717,Cc1cc(-c2cccnc2OC2CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)CC2)c(S(=O)(=O)NC(C)(C)C)cc1F,BOEMRSIJGBVTOG-UHFFFAOYSA-N
-rxn:4:213281:226844,CS(=O)(=O)N1CCC(C(=O)N2CCC(Oc3ncccc3-c3ccnc(C(=O)C(F)(F)F)c3)CC2)CC1,CMSXTCIFVZBTPF-UHFFFAOYSA-N
-rxn:4:213290:223179,CONC(=O)c1cc(-c2cnc(OC3CCCN(C(=O)C4(c5ccccc5)CCOCC4)C3)nc2)ccc1F,LUXUBDTXLWCDSJ-UHFFFAOYSA-N
-rxn:4:213320:223179,CONC(=O)c1cc(-c2nc(C(=O)OC)c3n2CCN(C(=O)OC(C)(C)C)C3)ccc1F,UKPAGNBMKRLQBN-UHFFFAOYSA-N
-rxn:4:213320:226844,COC(=O)c1nc(-c2ccnc(C(=O)C(F)(F)F)c2)n2c1CN(C(=O)OC(C)(C)C)CC2,ZTLBAKCSSOFXNX-UHFFFAOYSA-N
-rxn:4:213336:226466,COC(=O)c1nc(-c2ccc3c(c2)OCC(=O)N3C)n2c1CCN(C(=O)OC(C)(C)C)CC2,RSRBKRJGYMELKP-UHFFFAOYSA-N
-rxn:4:213349:224771,Cc1ccc(-c2nn(Cc3ccccc3)c3c2CN(C(=O)OC(C)(C)C)C3)cc1S(=O)(=O)N1CCCC1,VSVURNVCYJESOC-UHFFFAOYSA-N
-rxn:4:213354:223179,CONC(=O)c1cc(-c2ccc(CN3CC4CC(C3)N4C(=O)OC(C)(C)C)nc2)ccc1F,QNEXYDXLCMUMEU-UHFFFAOYSA-N
-rxn:4:213354:226844,CC(C)(C)OC(=O)N1C2CC1CN(Cc1ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cn1)C2,MPXMTZBPOZTKQW-UHFFFAOYSA-N
-rxn:4:213355:224488,CC(C)CS(=O)(=O)C1CN(C(=O)c2c3ccc(-c4ccc(C(=O)N(C(C)C)C(C)C)cc4)cc3nn2C)C1,KAVWQGMJOPEJAC-UHFFFAOYSA-N
-rxn:4:213368:225262,COc1cc(C(=O)N(C)OC)ccc1-c1ccccc1CCC(=O)N1C2CCC1CC(n1cccn1)C2,FUWLIGHZFBXTOD-UHFFFAOYSA-N
-rxn:4:213380:224793,CC(C)COc1ncc(C(F)(F)F)cc1-c1ccc(-n2c(SCC(=O)N3CCCCC3)nc3c(c2=O)SCC3)cc1,PLPLIYGWZIPWIS-UHFFFAOYSA-N
-rxn:4:213380:226844,O=C(CSc1nc2c(c(=O)n1-c1ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc1)SCC2)N1CCCCC1,WKEUWCYQHCZTGP-UHFFFAOYSA-N
-rxn:4:213387:224621,CC(C)(C)OC(=O)N1CCC(Cn2cnc3cc(-c4ccc(OCCN5CCSCC5)cc4)ccc32)CC1,LPESJOLGOFVATQ-UHFFFAOYSA-N
-rxn:4:213388:226844,CC(C)(C)OC(=O)N1CCC(Cn2ccc3c(-c4ccnc(C(=O)C(F)(F)F)c4)ccnc32)CC1,FJBUOLWCEAKDLU-UHFFFAOYSA-N
-rxn:4:213394:223530,COc1cccc(C(=O)N2CCN(c3nc4ccc(-c5cc(F)ccc5CN5CCN(C(=O)OC(C)(C)C)CC5)cc4s3)CC2)c1OC,LSGWVNSLTISGDE-UHFFFAOYSA-N
-rxn:4:213408:226844,CC(C)CN1C(=O)C(=Cc2c(Oc3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3)nc3ccccn3c2=O)SC1=S,XLMDENYFUOIFQX-UHFFFAOYSA-N
-rxn:4:213412:228341,CC(C)CS(=O)(=O)C1CCN(C(=O)c2c3ccc(-c4ccc(OC(F)F)cc4)cc3nn2C)CC1,VMYNAMYYCRRIII-UHFFFAOYSA-N
-rxn:4:213413:223279,CC1CN(C(=O)c2cc3cc(-c4cnc(C5CCCN5)nc4)ccc3[nH]2)CCN1C(=O)OC(C)(C)C,BSPDQGJUTLWBJJ-UHFFFAOYSA-N
-rxn:4:213414:223179,CONC(=O)c1cc(-c2ccc3[nH]c(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4C)cc3c2)ccc1F,JFJRCOMCELFFLD-UHFFFAOYSA-N
-rxn:4:213417:225197,CCn1c(=NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)sc2cc(-c3cc(F)c(OC4CCCC4)c(Cl)c3)ccc21,VRJLYMRIEVPFNH-UHFFFAOYSA-N
-rxn:4:213424:223179,CONC(=O)c1cc(-c2ccc(C(=O)N3CCC(COc4cc5c(nn4)CCCC5)CC3)cc2)ccc1F,UTNCEZUPQYTUBR-UHFFFAOYSA-N
-rxn:4:213440:223179,CONC(=O)c1cc(-c2ccc3ccn(CC(=O)N4CCN(C(=O)C5COc6ccccc6O5)CC4)c3c2)ccc1F,ZZLHHXKZUUEJDN-UHFFFAOYSA-N
-rxn:4:213440:223279,O=C(Cn1ccc2ccc(-c3cnc(C4CCCN4)nc3)cc21)N1CCN(C(=O)C2COc3ccccc3O2)CC1,GYENHGXRHOJAAQ-UHFFFAOYSA-N
-rxn:4:213444:223179,CONC(=O)c1cc(-c2ccc(CC(=O)N3CCC(Cn4nc5c(cc4=O)CCCC5)CC3)cc2)ccc1F,ZJGMECJUIXNLRO-UHFFFAOYSA-N
-rxn:4:213448:224421,COc1ccc(C2CC(c3c(C)nc4ccc(-c5c(C(C)C)cc(C(C)C)cc5C(C)C)cc4c3-c3ccccc3)=NN2C(C)=O)cc1,JRZDSGZWAFJCCO-UHFFFAOYSA-N
-rxn:4:213459:224056,CCC[C@H]1CC[C@H](c2ccc(-c3ccc4c(c3)C(c3ccccn3)=C[C@@H](CCC(=O)OC)c3ncc(C)n3-4)c(F)c2)CC1,ZBTGBQXAOLUTMY-WWPJHQMMSA-N
-rxn:4:213469:223718,CC(C)(C)C(=O)[C@@H]1[C@@H](c2ccc(-c3c(OCc4ccccc4)ccc4ccccc34)cc2F)C(C#N)(C#N)[C@H]2C=Cc3ccccc3N12,IBWWCAAQWAZELA-CPDBGCJFSA-N
-rxn:4:213470:224410,CC(=O)N1CCc2c(sc3nc(SCc4cccc(-c5ccc(OCC(F)(F)F)c(C(F)(F)F)c5)c4)n(-c4ccccc4)c(=O)c23)C1,CLPYESDWHYFSPH-UHFFFAOYSA-N
-rxn:4:213472:226844,O=C(c1ccccc1-c1ccnc(C(=O)C(F)(F)F)c1)N1CCN(CCN2C(=O)c3cccc4cccc(c34)C2=O)CC1,VEXKPNVGSBCPRV-UHFFFAOYSA-N
-rxn:4:213474:223279,CC(C)(C)OC(=O)N1CC2(CC2)C[C@H]1c1ncc(-c2ccc3c(c2)C(F)(F)c2cc(-c4cnc(C5CCCN5)nc4)ccc2-3)[nH]1,DJSSJNXKCKFOBB-ACEFPKFPSA-N
-rxn:4:213481:226844,COC12CC(COC(=O)c3cncc(-c4ccnc(C(=O)C(F)(F)F)c4)c3)CN(C)C1Cc1cn(C)c3cccc2c13,LTBJHCZAELZKLS-UHFFFAOYSA-N
-rxn:4:213492:223480,Cc1cc(-c2cn(CCCF)c([N+](=O)[O-])n2)cc(C)c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,LJOSTPCXDDUENE-UHFFFAOYSA-N
-rxn:4:213624:223834,CCC(C)N1CC(Cn2cc(-c3cc(C)c(S(=O)(=O)N4CCN(C)CC4)c(C)c3)cn2)C1,ZNKFGANVBSZHPB-UHFFFAOYSA-N
-rxn:4:213653:222456,O=C(Nc1cccc(-c2cncc(C(=O)N3CC(CN4C(=O)COC4=O)C3)c2)c1)c1ccc(C(F)(F)F)cc1,JBZFGOMDPCOQGL-UHFFFAOYSA-N
-rxn:4:213662:224767,CC(=O)N1CCC(COc2ncc(-c3cccc(C(=O)N4CCOCC4)c3F)cn2)CC1,SJBZECOVBOHLRS-UHFFFAOYSA-N
-rxn:4:213692:226844,CC(C(=O)N1CCC(C(F)(F)F)CC1)n1cc(-c2ccnc(C(=O)C(F)(F)F)c2)cn1,VENSXQKHDDNXET-UHFFFAOYSA-N
-rxn:4:213723:223945,CCN1CCN(C(=O)Cc2cncc(-c3ccc(OCCCN4CCOCC4)c(F)c3)c2)CC1,PCOMFEMLWFYASU-UHFFFAOYSA-N
-rxn:4:213764:222912,CC(C)CNS(=O)(=O)c1ccc(-c2cnc(C3CCN(C(=O)OC(C)(C)C)C3)cn2)cc1,QVWSKGJZKWGKFA-UHFFFAOYSA-N
-rxn:4:213844:223179,CONC(=O)c1cc(-c2cccc(N3CCN(C(=O)OC(C)(C)C)CC3=O)n2)ccc1F,OTCUNYMXEGQOPC-UHFFFAOYSA-N
-rxn:4:213844:226844,CC(C)(C)OC(=O)N1CCN(c2cccc(-c3ccnc(C(=O)C(F)(F)F)c3)n2)C(=O)C1,LAXCWZKRMSIEDE-UHFFFAOYSA-N
-rxn:4:213874:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccnc(N2CCN(C(=O)OC(C)(C)C)CC2)c1,DXRRGFSIGHBTJH-UHFFFAOYSA-N
-rxn:4:213875:222887,CC(C)(C)OC(=O)N1CCN(c2cccc(-c3cccc(C(=O)N4CCNCC4)c3)n2)CC1,VCZGIGNSIBKKNL-UHFFFAOYSA-N
-rxn:4:213875:223590,Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1-c1cccc(N2CCN(C(=O)OC(C)(C)C)CC2)n1,OJWQCDWCEURXBB-UHFFFAOYSA-N
-rxn:4:213878:224286,CC(C)(C)OC(=O)N1CC2(CC(n3cc(-c4ccc(OCCN5CCOCC5)c(Cl)c4)cn3)C2)C1,QDSNKHISIVDZJU-UHFFFAOYSA-N
-rxn:4:213881:223681,CC(C)(C)OC(=O)N1CCC(c2cnc(-c3cc4cc([N+](=O)[O-])ccc4n3C(=O)OC(C)(C)C)cn2)CC1,WVIGXZPHZHFTGM-UHFFFAOYSA-N
-rxn:4:213884:225355,COC(=O)c1ccc(-c2nccc(C3CCN(C(=O)OC(C)(C)C)CC3)n2)c(C(F)(F)F)c1,LPIYKSXYFOMZQS-UHFFFAOYSA-N
-rxn:4:213892:225910,CCOc1cc(C(F)(F)F)ccc1-c1cccnc1N1CCN(C(=O)OC(C)(C)C)CC1,WGYQZLZGMSXGHR-UHFFFAOYSA-N
-rxn:4:213894:225984,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(Cl)c(N4CCOCC4)c3)cn2)CC1,ZUCCWMCSFLTUEN-UHFFFAOYSA-N
-rxn:4:213898:224672,CCN1CCN(c2ccc(-c3cnc(OC4CCN(C(=O)C(C)(C)C)CC4)nc3)c(Cl)c2)CC1,OVWIJTIUCDCONH-UHFFFAOYSA-N
-rxn:4:213901:223525,CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(-c3ccc(Cl)nc3N3CCN(C(=O)OC(C)(C)C)CC3)c2)CC1,KXHBBVDIFRIBBW-UHFFFAOYSA-N
-rxn:4:213902:223179,CONC(=O)c1cc(-c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)c(F)c2)ccc1F,HVXHBBPSCPLSHU-UHFFFAOYSA-N
-rxn:4:213902:226844,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2F)CC1,KMCQIPXHPCOBLH-UHFFFAOYSA-N
-rxn:4:213910:223071,CCS(=O)(=O)NCc1ccc(-c2cccnc2OC2CCN(S(=O)(=O)N3CCOCC3)C2)cc1,BYIIEVUDDKOANE-UHFFFAOYSA-N
-rxn:4:213931:223179,CONC(=O)c1cc(-c2cc(C(F)(F)F)cnc2N2CCOC(C(=O)N3CCCC3)C2)ccc1F,BBXHDVOJMRSHAS-UHFFFAOYSA-N
-rxn:4:213932:224258,CC1CCCCN1C(=O)c1ccc(-c2cnc(N3CCOC(C(=O)N4CCCC4)C3)c(C(F)(F)F)c2)c(Cl)c1,XWEVJXHKJCXKAP-UHFFFAOYSA-N
-rxn:4:213933:223892,CN1CCN(CCCOc2ccc(-c3cc(C(F)(F)F)cnc3N3CCCN(S(=O)(=O)C4CC4)CC3)cc2)CC1,YGXZIXQXZAHIFH-UHFFFAOYSA-N
-rxn:4:213937:223578,COc1cc(N2CCN(S(=O)(=O)c3ccccc3-c3cnc(N4CCCCC4)nc3OCc3ccccc3)CC2=O)ccn1,BKIRKSJJMMYGCI-UHFFFAOYSA-N
-rxn:4:213940:223179,CONC(=O)c1cc(-c2cnn(C)c2C2CCCN(C(=O)OC(C)(C)C)C2)ccc1F,PJGHWZVPWLHOPK-UHFFFAOYSA-N
-rxn:4:213941:226844,Cc1c(-c2ccnc(C(=O)C(F)(F)F)c2)cnn1C1CCN(C(=O)OC(C)(C)C)CC1,UKNIRZFECVFHDO-UHFFFAOYSA-N
-rxn:4:213942:226844,Cc1nn(C2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccnc(C(=O)C(F)(F)F)c1,VQDPNBRRAYYMRV-UHFFFAOYSA-N
-rxn:4:213943:223079,CC(C)NS(=O)(=O)c1cccc(-c2cn[nH]c2C2(C)CCN(C(=O)OC(C)(C)C)CC2)c1,UIGSUGPKMSGWHZ-UHFFFAOYSA-N
-rxn:4:213944:226844,CC1CN(C(=O)OC(C)(C)C)CCC1c1ncc(-c2ccnc(C(=O)C(F)(F)F)c2)[nH]1,HIXOIHTZDLPHFU-UHFFFAOYSA-N
-rxn:4:213945:223179,CONC(=O)c1cc(-c2cn(C3CCN(C(=O)OC(C)(C)C)CC3C)cn2)ccc1F,XZPOSVZZLANYHA-UHFFFAOYSA-N
-rxn:4:213946:226844,CC1CN(C(=O)OC(C)(C)C)CCC1n1cc(-c2ccnc(C(=O)C(F)(F)F)c2)cn1,ILOOHGDUWIZOGN-UHFFFAOYSA-N
-rxn:4:213955:226844,O=C(C1CC=CCC1)N1CCC(Oc2ncc(-c3ccnc(C(=O)C(F)(F)F)c3)cn2)CC1,PUWBZHPUXOUKFQ-UHFFFAOYSA-N
-rxn:4:213972:223279,O=C(C1CN(c2ncc(-c3cnc(C4CCCN4)nc3)cc2C(F)(F)F)CCO1)N1CCOCC1,UJMPMSQCBYULLY-UHFFFAOYSA-N
-rxn:4:213972:226844,O=C(C1CN(c2ncc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2C(F)(F)F)CCO1)N1CCOCC1,NOUZRBGBEMLXLI-UHFFFAOYSA-N
-rxn:4:213974:223179,CONC(=O)c1cc(-c2cccc(N3CCCN(C(=O)OC(C)(C)C)CC3)n2)ccc1F,HJDHFTKQJCEBSE-UHFFFAOYSA-N
-rxn:4:213975:223179,CONC(=O)c1cc(-c2ccc(N3CCCN(C(=O)OC(C)(C)C)CC3)cn2)ccc1F,YSHYRCWQPHMJRD-UHFFFAOYSA-N
-rxn:4:213976:226844,CC1CN(c2cccc(-c3ccnc(C(=O)C(F)(F)F)c3)n2)CCN1C(=O)OC(C)(C)C,WBRZNWJTOPWBAF-UHFFFAOYSA-N
-rxn:4:213981:226844,CC1CN(C(=O)OC(C)(C)C)CCC1c1ccnc(-c2ccnc(C(=O)C(F)(F)F)c2)n1,LVUWRVUPEZCKMX-UHFFFAOYSA-N
-rxn:4:213982:223179,CONC(=O)c1cc(-c2cc(C3CCN(C(=O)OC(C)(C)C)CC3C)ncn2)ccc1F,YFTKOCCVNPRGKO-UHFFFAOYSA-N
-rxn:4:213983:223179,CONC(=O)c1cc(-c2cnc(C3CCN(C(=O)OC(C)(C)C)CC3C)cn2)ccc1F,QEWUGOSSPDPAEI-UHFFFAOYSA-N
-rxn:4:213984:223179,CONC(=O)c1cc(-c2cncc(C3CCN(C(=O)OC(C)(C)C)CC3C)n2)ccc1F,YLIDFQVRXRCBBP-UHFFFAOYSA-N
-rxn:4:213984:226844,CC1CN(C(=O)OC(C)(C)C)CCC1c1cncc(-c2ccnc(C(=O)C(F)(F)F)c2)n1,ASXVWZVHKRKPEB-UHFFFAOYSA-N
-rxn:4:213985:223179,CONC(=O)c1cc(-c2cc(C)cnc2N2CCN(C(=O)OC(C)(C)C)CC2)ccc1F,FUEPURJNOHSNCA-UHFFFAOYSA-N
-rxn:4:213988:223179,CONC(=O)c1cc(-c2ccc(N3CCCN(C(=O)OC(C)(C)C)CC3)nc2)ccc1F,UOXKDPVOXLWBIR-UHFFFAOYSA-N
-rxn:4:213993:226844,CN1CCN(c2ncc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2C(=O)OC(C)(C)C)CC1,HHTYLWKPLXUKIG-UHFFFAOYSA-N
-rxn:4:213999:226844,CC1CN(C(=O)OC(C)(C)C)CCC1c1ncc(-c2ccnc(C(=O)C(F)(F)F)c2)cn1,FNSILZJIJBJCST-UHFFFAOYSA-N
-rxn:4:214000:226844,CC1CN(C(=O)OC(C)(C)C)CCN1c1ncc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1F,ZJEGSHRBAPJTMF-UHFFFAOYSA-N
-rxn:4:214020:223480,Cc1cc(OC2CCN(C(=O)c3ccccc3-c3cc(C)c(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c(C)c3)CC2)nc(C)n1,WRIQCNJGJYKNMX-UHFFFAOYSA-N
-rxn:4:214024:223179,CONC(=O)c1cc(-c2cnc(OC3CCN(C(=O)C4CCC(F)(F)CC4)CC3)nc2)ccc1F,DWXYKIHJYPMZGD-UHFFFAOYSA-N
-rxn:4:214026:223969,CC1CCN(c2ccc(C(F)(F)F)cc2-c2cc(C(F)(F)F)cnc2N2CCCC(C(=O)N3CCOCC3)C2)CC1,PKFABRIQPNSMTB-UHFFFAOYSA-N
-rxn:4:214027:223179,CONC(=O)c1cc(-c2cnc(N3CCCC(C(=O)N4CCOCC4)C3)c(C(F)(F)F)c2)ccc1F,GNVAZPOZZYZYFW-UHFFFAOYSA-N
-rxn:4:214028:226844,O=C(C1CN(c2ncc(C(F)(F)F)cc2-c2ccnc(C(=O)C(F)(F)F)c2)CCO1)N1CCCCC1,FELBNYZXINJZJK-UHFFFAOYSA-N
-rxn:4:214029:229151,N#Cc1cnc(-c2cnc(N3CCCC(C(=O)N4CCSCC4)C3)c(C(F)(F)F)c2)cn1,YOISRQKWWCRNGF-UHFFFAOYSA-N
-rxn:4:214031:223669,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccccc3C(=O)N3CCCC(c4nnc(-c5ccccc5F)s4)C3)cn2)CC1,GTXJBRODNQXPQM-UHFFFAOYSA-N
-rxn:4:214031:223743,Cc1ccc(-c2ccccc2C(=O)N2CCCC(c3nnc(-c4ccccc4F)s3)C2)cc1OCCCN1CCC(C)CC1,WDBOGPJOLHOACX-UHFFFAOYSA-N
-rxn:4:214033:224041,CC(C)[C@H]1COC(c2cc(-c3ccccc3CN3CCc4ccccc43)cc(C3=N[C@@H](C(C)C)CO3)n2)=N1,COWCCGNTXFPDDE-FQLXRVMXSA-N
-rxn:4:214033:225657,Cc1cc(-c2cc(C3=N[C@@H](C(C)C)CO3)nc(C3=N[C@@H](C(C)C)CO3)c2)ccc1N1CCOCC1,XTVRYOQZRNGODX-JWQCQUIFSA-N
-rxn:4:214033:226175,Cc1cc(N2CCCC2)ccc1-c1cc(C2=N[C@@H](C(C)C)CO2)nc(C2=N[C@@H](C(C)C)CO2)c1,SNXMAGCNYSZYTH-CLJLJLNGSA-N
-rxn:4:214034:223179,CONC(=O)c1cc(-c2cccc(C(=O)N3CCN(C(=O)N4CCCCC4)CC3)c2)ccc1F,XJMBWOQVIQJJQM-UHFFFAOYSA-N
-rxn:4:214037:223179,CONC(=O)c1cc(-c2ccc(N3CC(C(=O)N4CCN(S(C)(=O)=O)CC4)CC3=O)cc2)ccc1F,PQGIEFJZQANOAK-UHFFFAOYSA-N
-rxn:4:214047:223279,Cc1cc(N2CCN(C(=O)OC(C)(C)C)C(C)C2)ncc1-c1cnc(C2CCCN2)nc1,FNPSTLUMVATIAK-UHFFFAOYSA-N
-rxn:4:214049:223179,CONC(=O)c1cc(-c2ccc(CN3CCC(C#N)CC3)c(N3CCCCC3)c2)ccc1F,XGOGOFDJZBDPTL-UHFFFAOYSA-N
-rxn:4:214051:226844,CC(C)c1sc(-c2ccnc(C(=O)C(F)(F)F)c2)nc1C(=O)N1CCN(C2CCS(=O)(=O)C2)CC1,RATZEZQTFQUHSK-UHFFFAOYSA-N
-rxn:4:214054:227572,COC(=O)c1cccc(-c2ccccc2S(=O)(=O)N2CCC(N3CC(=O)N(C4CC4)C3=O)CC2)c1Cl,MTIFIDPIXUFIFX-UHFFFAOYSA-N
-rxn:4:214056:223279,CC(=O)N1CCN(C2=NC(=O)C(=Cc3ccc(-c4ccccc4-c4cnc(C5CCCN5)nc4)o3)S2)CC1,FAOPWDQKIWBQBJ-UHFFFAOYSA-N
-rxn:4:214056:226844,CC(=O)N1CCN(C2=NC(=O)C(=Cc3ccc(-c4ccccc4-c4ccnc(C(=O)C(F)(F)F)c4)o3)S2)CC1,ZDCWZVQAPODZEK-UHFFFAOYSA-N
-rxn:4:214058:223179,CONC(=O)c1cc(-c2cncc(C(=O)N3CCC(N4CCC(OC)CC4)CC3)c2)ccc1F,HHYOCLZMRAUWER-UHFFFAOYSA-N
-rxn:4:214059:226844,CC(C)(C)OC(=O)N1CC2(CCN(c3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cn3)CC2)C1,DXPKGFHOOFQCSK-UHFFFAOYSA-N
-rxn:4:214060:223179,CONC(=O)c1cc(-c2cncc(N3CCC4(CC3)CN(C(=O)OC(C)(C)C)C4)c2)ccc1F,RFQKLKNSBAOQIM-UHFFFAOYSA-N
-rxn:4:214060:226844,CC(C)(C)OC(=O)N1CC2(CCN(c3cncc(-c4ccnc(C(=O)C(F)(F)F)c4)c3)CC2)C1,XZXRGCXSVPWPLK-UHFFFAOYSA-N
-rxn:4:214066:223279,O=C(c1ccccc1)N1CCN(C2CC(=O)N(c3cccc(-c4cnc(C5CCCN5)nc4)c3)C2=O)CC1,GNZXPUNENRHCLE-UHFFFAOYSA-N
-rxn:4:214071:223179,CONC(=O)c1cc(-c2cccc(C(=O)N3CCN(S(=O)(=O)N4CCCCCC4)CC3)c2)ccc1F,CVCRWTMGPSDVAJ-UHFFFAOYSA-N
-rxn:4:214071:223279,O=C(c1cccc(-c2cnc(C3CCCN3)nc2)c1)N1CCN(S(=O)(=O)N2CCCCCC2)CC1,ASEPLJBWGAOSJC-UHFFFAOYSA-N
-rxn:4:214073:223179,CONC(=O)c1cc(-c2ccc(N3C(=O)CC(N4CCN(Cc5ccccc5)CC4)C3=O)cc2)ccc1F,WWQACYRCWBLTNW-UHFFFAOYSA-N
-rxn:4:214074:223184,Cc1nn(S(=O)(=O)c2ccc(-c3cnc(N4CCNCC4)nc3)cc2)c(C)c1S(=O)(=O)N1CCCC(C)C1,VFQAZLWLFCHANU-UHFFFAOYSA-N
-rxn:4:214075:226844,O=C1CN(C2CCN(Cc3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3)CC2)C(=O)N1c1ccccc1,VTZVSMLFBQPPHR-UHFFFAOYSA-N
-rxn:4:214078:223179,CCN1CCN(Cc2ccc(-c3ccc(F)c(C(=O)NOC)c3)cc2N2CCCCC2)CC1,SWNICNJLHPJLDF-UHFFFAOYSA-N
-rxn:4:214078:227381,CCN1CCN(Cc2ccc(-c3cnc(C4CCCC4)nc3)cc2N2CCCCC2)CC1,MOCVYJQNKLBLLK-UHFFFAOYSA-N
-rxn:4:214081:226473,CN(C)CCOc1ncccc1-c1ccc(C2=NC3(CCCCCC3)N(C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)C2=S)cc1,WMMJCUZLCHMDMQ-UHFFFAOYSA-N
-rxn:4:214082:224212,CC(C)N1CCN(Cc2ccc(-c3cc(F)ccc3OCc3ccccc3F)cc2N2CCOCC2)CC1,JYYBYIYZCSEIHJ-UHFFFAOYSA-N
-rxn:4:214083:223976,Cc1ccc(S(=O)(=O)N2CCC(c3nc(-c4ccccc4-c4cc(OC5CCCC5)cc(OC(F)(F)F)c4)no3)CC2)cc1C,FNGZCEUBOIIUDH-UHFFFAOYSA-N
-rxn:4:214086:223179,CONC(=O)c1cc(-c2ccc(CN3CCN(C(C)C)CC3)c(N3CCCCC3)c2)ccc1F,RDVSBHDVNOLRTC-UHFFFAOYSA-N
-rxn:4:214146:226844,CC(C)(C)OC(=O)N1CCn2c(nc(C(F)(F)F)c2-c2ccnc(C(=O)C(F)(F)F)c2)C1,GJMJIUIBXGEMON-UHFFFAOYSA-N
-rxn:4:214147:226092,CCCCOc1ccc(-c2nc(C(F)(F)F)c3n2CCN(C(=O)OC(C)(C)C)C3)c(C)c1,ZCLGAGLRXGKNOO-UHFFFAOYSA-N
-rxn:4:214185:226024,CC(C)(C)OC(=O)N1CCCn2nc(C(F)(F)F)c(-c3cccc(OCC(F)(F)F)c3F)c2C1,JVKSXSYJMGEAES-UHFFFAOYSA-N
-rxn:4:214185:226844,CC(C)(C)OC(=O)N1CCCn2nc(C(F)(F)F)c(-c3ccnc(C(=O)C(F)(F)F)c3)c2C1,NFBLIYASOOVFFW-UHFFFAOYSA-N
-rxn:4:214191:222943,CC(=O)N1CCN(C(=O)Cn2ccc3ccc(-c4ccc(F)c(S(=O)(=O)NC5CC5)c4)cc32)CC1,DDXLATAZNYXHGN-UHFFFAOYSA-N
-rxn:4:214257:223179,CONC(=O)c1cc(-c2ccc(N3C4CCC3CN(C(=O)OC(C)(C)C)C4)nc2)ccc1F,PFLRONRMIIACFC-UHFFFAOYSA-N
-rxn:4:214284:223179,CONC(=O)c1cc(-c2cnn(C3CC4CCC(C3)N4S(=O)(=O)c3cc(F)ccc3OC)c2)ccc1F,RYIYGKVPXGPTCV-UHFFFAOYSA-N
-rxn:4:214292:223152,CN(C)C(=O)Nc1ccc(-c2ccc3[nH]c([C@@H]4[C@H]5CC[C@H](C5)N4C(=O)OC(C)(C)C)nc3c2)cc1,KAHFJGMPDKFLJN-NOXFTYBFSA-N
-rxn:4:214296:225220,CC1CCCCN1c1ncc(-c2ccc3nccc(N4CCN(C(=O)OC(C)(C)C)CC4)c3c2)cc1Cl,DBUUXRSBXFZHSI-UHFFFAOYSA-N
-rxn:4:214304:226844,CC(C)(C)OC(=O)N1CCc2c(c(-c3ccnc(C(=O)C(F)(F)F)c3)nn2C2CCOCC2)C1,NDVCYTDNTYEJNA-UHFFFAOYSA-N
-rxn:4:214323:226844,O=C(Cn1ccc2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc21)N1CCN(C2CCS(=O)(=O)C2)CC1,JASWWVNVNLKQEU-UHFFFAOYSA-N
-rxn:4:214335:226844,CN(C1=NS(=O)(=O)c2ccccc21)C1CCN(Cc2ccccc2-c2ccnc(C(=O)C(F)(F)F)c2)CC1,HLZAJFLVMPNAEC-UHFFFAOYSA-N
-rxn:4:214347:222465,Cn1c(=NC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)sc2cc(-c3cc(C4CCCCC4)nc(C4CCCNC4)c3)ccc21,BVXONUIAWNLELI-UHFFFAOYSA-N
-rxn:4:214379:223279,O=C(c1ccc(-c2cnc(C3CCCN3)nc2)o1)N1CCN(S(=O)(=O)c2cc3c4c(c2)CCN4C(=O)CC3)CC1,ZXBQOPCZELYBGK-UHFFFAOYSA-N
-rxn:4:214379:226844,O=C(c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)o1)N1CCN(S(=O)(=O)c2cc3c4c(c2)CCN4C(=O)CC3)CC1,URLDCNNOMUWQPU-UHFFFAOYSA-N
-rxn:4:214384:223179,CONC(=O)c1cc(-c2cnc(OC3CCCN(C(=O)C45CC6CC(CC(C6)C4)C5)C3)nc2)ccc1F,VPKCJHDSCSDZJG-UHFFFAOYSA-N
-rxn:4:214388:225301,COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1c(C)n(C)c2cc(-c4cc(OC5CCOCC5)ncc4F)c(OC)cc12)CC3,DYGXPUUFFKYECG-UHFFFAOYSA-N
-rxn:4:214390:223279,CCOc1ccc(C2=NN3C(C2)c2cc(-c4cnc(C5CCCN5)nc4)ccc2OC32CCN(C(C)=O)CC2)cc1,KJTGNOIXJWAAJO-UHFFFAOYSA-N
-rxn:4:214391:226844,COc1ccc(C2=NN3C(C2)c2cc(-c4ccnc(C(=O)C(F)(F)F)c4)ccc2OC32CCN(Cc3ccccc3)CC2)cc1,CGNJMYHFQBPZMZ-UHFFFAOYSA-N
-rxn:4:214585:223670,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2ncccc2CN2CC(S(N)(=O)=O)C2)CC1,IIZHOIXNHAMBMG-UHFFFAOYSA-N
-rxn:4:214618:223889,CC(=O)N1CCC(Cc2cnc(-c3cccc4c3CN(C(=O)OC(C)(C)C)CC4)cn2)C1,BFGSAORRNCRWOX-UHFFFAOYSA-N
-rxn:4:214630:223997,Cc1cc(-c2c(C3CC3)n[nH]c2C(=O)N2CCOCC2)cc(C)c1S(=O)(=O)N1CCOCC1,AMWVCCCTBUBPKQ-UHFFFAOYSA-N
-rxn:4:214660:223945,Cn1ncc(-c2ccc(OCCCN3CCOCC3)c(F)c2)c1C(=O)N1CCC(C(F)(F)F)CC1,MUTYAEUJNQAGTP-UHFFFAOYSA-N
-rxn:4:214705:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3cnc(CC4CCN(S(C)(=O)=O)CC4)cn3)cc2)CC1,RXUDPBLMQNHCIH-UHFFFAOYSA-N
-rxn:4:214729:222465,c1ncc(N2CCN(CC3CC3)CC2)cc1-c1cc(C2CCCCC2)nc(C2CCCNC2)c1,BDEITPWLHCVOBU-UHFFFAOYSA-N
-rxn:4:214742:223972,CC1CCCCN1c1ccc(-c2cc(N3CCC(N(C)C)CC3)ccc2C#N)c(C(F)(F)F)c1,ZHLVKVZPRUMTSO-UHFFFAOYSA-N
-rxn:4:214746:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3ccc(N4CCC(N(C)C)CC4)c(C#N)c3)c2)CC1,CXCMQBMNYJECDO-UHFFFAOYSA-N
-rxn:4:214768:223809,CN(C)C1CCN(c2ccc([N+](=O)[O-])c(-c3cc(N4CCOCC4)cc(N4CCOCC4)c3)c2)CC1,ARSIYNBMCRVDFB-UHFFFAOYSA-N
-rxn:4:214804:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cnccc3N3CCOC(C(=O)N4CCCC4)C3)c2Cl)CC1,BVXYSFODHUDMTN-UHFFFAOYSA-N
-rxn:4:214818:223179,CONC(=O)c1cc(-c2cnc(N3CCN(C(=O)C4CCCO4)CC3)c(Cl)c2)ccc1F,SMCGKHURZCKVMO-UHFFFAOYSA-N
-rxn:4:214818:223723,CCC(CC)Oc1ccc(-c2ccc(-c3cnc(N4CCN(C(=O)C5CCCO5)CC4)c(Cl)c3)cc2)cc1,NCSLJCRAYYYJTH-UHFFFAOYSA-N
-rxn:4:214819:223179,CONC(=O)c1cc(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCCC3)C2)ccc1F,IOCMHCGYIHGYDO-UHFFFAOYSA-N
-rxn:4:214820:226844,O=C(C1CN(c2ncc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2F)CCO1)N1CCCC1,FPIXGJZBYAMWRA-UHFFFAOYSA-N
-rxn:4:214828:222541,Cn1ccc(C2CCN(C(=O)c3cccc(-c4ccc(C(=O)NCCN5CCCCC5)cc4)c3)CC2)n1,MFMOGRHWUACGAN-UHFFFAOYSA-N
-rxn:4:214829:223179,CONC(=O)c1cc(-c2cccnc2N2CCOC(C(=O)N3CCSCC3)C2)ccc1F,SLQLNZJALGOLIY-UHFFFAOYSA-N
-rxn:4:214829:226844,O=C(C1CN(c2ncccc2-c2ccnc(C(=O)C(F)(F)F)c2)CCO1)N1CCSCC1,GNPRLTFLWPYUQQ-UHFFFAOYSA-N
-rxn:4:214835:223179,CONC(=O)c1cc(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCOCC3)C2)ccc1F,BLSOWROZFISGSX-UHFFFAOYSA-N
-rxn:4:214836:226844,O=C(C1CN(c2ncc(Cl)cc2-c2ccnc(C(=O)C(F)(F)F)c2)CCO1)N1CCSCC1,VYZKFIRIZBCWEB-UHFFFAOYSA-N
-rxn:4:214837:223279,O=C(C1CN(c2ncc(-c3cnc(C4CCCN4)nc3)cc2Cl)CCO1)N1CCSCC1,XJZIEYVWXQCRBN-UHFFFAOYSA-N
-rxn:4:214837:226844,O=C(C1CN(c2ncc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2Cl)CCO1)N1CCSCC1,UQQGDOJGLMAWDN-UHFFFAOYSA-N
-rxn:4:214839:223028,CCCNC(=O)c1ccc(F)c(-c2cnc(N3CCOC(C(=O)N4CCSCC4)C3)c(F)c2)c1,MWUQFMRNXMRJIY-UHFFFAOYSA-N
-rxn:4:214851:224686,O=C(c1ccc(-c2cncc(C(=O)N3CCCN(C4CCC4)CC3)c2)c(F)c1)N1CCCCC1,HQTDHIXUDDJQOD-UHFFFAOYSA-N
-rxn:4:214865:223179,CONC(=O)c1cc(-c2cccnc2N2CCCC(C(=O)N3CCOCC3)C2)ccc1F,XINWQEYMSVPBKL-UHFFFAOYSA-N
-rxn:4:214867:225383,Cc1cc(-c2c(C(F)(F)F)cccc2C(F)(F)F)cnc1N1CCOC(C(=O)N2CCCC2)C1,GMWWTBGEUZKWAM-UHFFFAOYSA-N
-rxn:4:214868:223179,CONC(=O)c1cc(-c2cccnc2N2CCOC(C(=O)N3CCCCC3)C2)ccc1F,SVYLYTUDGACEPC-UHFFFAOYSA-N
-rxn:4:214871:226844,O=C(C1CCCN(c2ncc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2Cl)C1)N1CCOCC1,ZXDFMYNKNMQOOB-UHFFFAOYSA-N
-rxn:4:214873:223179,CONC(=O)c1cc(-c2cnc(N3CCCC(C(=O)N4CCOCC4)C3)c(F)c2)ccc1F,GWCTZUATYGNNNX-UHFFFAOYSA-N
-rxn:4:214874:223179,CONC(=O)c1cc(-c2cnc(N3CCOC(C(=O)N4CCCCC4)C3)c(F)c2)ccc1F,ICJQFGLRDYVUMM-UHFFFAOYSA-N
-rxn:4:214874:223279,O=C(C1CN(c2ncc(-c3cnc(C4CCCN4)nc3)cc2F)CCO1)N1CCCCC1,NKUPDPPEJLGSAY-UHFFFAOYSA-N
-rxn:4:214875:226232,CN(C)CCOc1cccc(-c2cnc(N3CCCC(C(=O)N4CCSCC4)C3)c(F)c2)c1,ANEPXVXIRSKXGM-UHFFFAOYSA-N
-rxn:4:214879:223179,CCN1CCN(C2CC(=O)N(c3ccc(-c4ccc(F)c(C(=O)NOC)c4)cc3)C2=O)CC1,VTZVAFHFBZXVBR-UHFFFAOYSA-N
-rxn:4:214879:226844,CCN1CCN(C2CC(=O)N(c3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3)C2=O)CC1,ROPUKMXTDZFYFT-UHFFFAOYSA-N
-rxn:4:214880:223279,Cc1cc(-c2cnc(C3CCCN3)nc2)cnc1N1CCOC(C(=O)N2CCOCC2)C1,ARWTWZKMOWVFQM-UHFFFAOYSA-N
-rxn:4:214881:223179,CONC(=O)c1cc(-c2cccnc2N2CCC(C(=O)N3CCC(F)(F)CC3)CC2)ccc1F,RVKBTRTUBNYVIT-UHFFFAOYSA-N
-rxn:4:214885:223179,CONC(=O)c1cc(-c2cnc(N3CCC(C(=O)N4CCC(F)(F)CC4)CC3)c(Cl)c2)ccc1F,KBYLKSBLIIPHTJ-UHFFFAOYSA-N
-rxn:4:214885:223279,O=C(C1CCN(c2ncc(-c3cnc(C4CCCN4)nc3)cc2Cl)CC1)N1CCC(F)(F)CC1,PBQCUOUTUOKVBF-UHFFFAOYSA-N
-rxn:4:214886:223179,CONC(=O)c1cc(-c2cnc(N3CCC(C(=O)N4CCC(F)(F)CC4)CC3)c(F)c2)ccc1F,NSVAGMVCQGYFPO-UHFFFAOYSA-N
-rxn:4:214894:226844,CN1CCN(Cc2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2N2CCOCC2)CC1,ZRVPJFDIDNQLPF-UHFFFAOYSA-N
-rxn:4:214896:225902,CON(C)C(=O)c1ccc(-c2cnc(N3CCC(C(=O)N4CCC(F)(F)CC4)CC3)c(C)c2)cc1F,PZVYOWLJJWGNMI-UHFFFAOYSA-N
-rxn:4:214896:226844,Cc1cc(-c2ccnc(C(=O)C(F)(F)F)c2)cnc1N1CCC(C(=O)N2CCC(F)(F)CC2)CC1,JOYHWSBXODQSEN-UHFFFAOYSA-N
-rxn:4:214899:226844,O=C1CC(N2CCN(c3ccc(F)cc3)CC2)C(=O)N1c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1,IYPISKSBGFZJNY-UHFFFAOYSA-N
-rxn:4:214900:226844,CN1CCN(Cc2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2N2CCCCC2)CC1,JNGPAKQHSHTYRY-UHFFFAOYSA-N
-rxn:4:215054:224168,CCN(C(=O)OC(C)(C)C)c1cccc(-c2ncn3c2CCN(C(=O)OC(C)(C)C)C3=O)c1,MBZMQRWBSJGYFL-UHFFFAOYSA-N
-rxn:4:215067:222829,CNS(=O)(=O)c1ccc(-c2n[nH]c3c2CN(C(=O)OC(C)(C)C)C3C)c(C(F)(F)F)c1,UVBHANBHPZDUFJ-UHFFFAOYSA-N
-rxn:4:215077:223830,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(C(=O)N4CCn5nc(C6CC6)cc5C4)o3)ccc2C)CC1,NCEOTMXFPMPTEK-UHFFFAOYSA-N
-rxn:4:215081:224304,COC(=O)c1nn(C2CCCCO2)c2ncc(-c3c(F)ccc(O[Si](C)(C)C(C)(C)C)c3Cl)cc12,ISTQCXLFOLHVNU-UHFFFAOYSA-N
-rxn:4:215101:222936,CCC(=O)NS(=O)(=O)c1ccc(-c2ncc3n2CCN(C(=O)OC(C)(C)C)CC3)cc1,COUJCDOKMMCTOD-UHFFFAOYSA-N
-rxn:4:215101:224998,CC(C)(C)OC(=O)N1CCc2cnc(-c3cccc(C(=O)N4CCCCC4)c3)n2CC1,ABSJDZNLZNXRNN-UHFFFAOYSA-N
-rxn:4:215148:224059,COc1c(-c2ncc3n2CC(C)(C)N(C(=O)OC(C)(C)C)C3)cc(C(C)(C)C)cc1C(C)(C)C,FWQZWLZVFROOJE-UHFFFAOYSA-N
-rxn:4:215153:223970,Cc1ccc(-c2ccc(CN3CCC4CN(c5ccccn5)CC43)o2)cc1S(=O)(=O)N1CCC(C)CC1,YJTFAWGUSCCCFU-UHFFFAOYSA-N
-rxn:4:215155:223679,CCN1CCN(S(=O)(=O)c2c(C)cc(-c3ccc(C(=O)N4CCC(c5nc6ccccc6[nH]5)CC4)o3)cc2C)CC1,VVPCQYUISSAESF-UHFFFAOYSA-N
-rxn:4:215166:224376,CN1CCN(S(=O)(=O)c2cccc(-c3ccccc3C(=O)N3C4CCC3CC(n3cccn3)C4)c2)CC1,SKDZBMYDYBAQPW-UHFFFAOYSA-N
-rxn:4:215176:223957,CC(C)(C)[Si](C)(C)OCc1c(F)cc(-c2ccc3nc(N4CCN(C(=O)c5cccc(F)c5)CC4)sc3c2)cc1F,SSLYFZDKUXTJLH-UHFFFAOYSA-N
-rxn:4:215184:222511,O=C(NC1CCCCC1)c1cc(-c2ccccc2S(=O)(=O)N2C3CCC2CC(n2cccn2)C3)cc([N+](=O)[O-])c1,IUAUAGGPILEVBN-UHFFFAOYSA-N
-rxn:4:215184:222811,CC(C)(C)OC(=O)Nc1cc(-c2ccccc2S(=O)(=O)N2C3CCC2CC(n2cccn2)C3)cc(Cl)n1,BONWZOBBFYKOTF-UHFFFAOYSA-N
-rxn:4:215198:226844,O=C(C1CN(c2nc3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3s2)CCO1)N1CCOCC1,QHXWSJPDCLGMGT-UHFFFAOYSA-N
-rxn:4:215215:224007,CC(C)COc1cc(OC(F)(F)F)cc(-c2ccc3ccc(N4CCOC(C(=O)N5CCCC5)C4)nc3c2)c1F,HADQTOANIGESBR-UHFFFAOYSA-N
-rxn:4:215216:223179,CONC(=O)c1cc(-c2ccc3nc(N4CCCC(C(=O)N5CCOCC5)C4)sc3c2)ccc1F,XXACOUHBLUGPDZ-UHFFFAOYSA-N
-rxn:4:215216:226844,O=C(C1CCCN(c2nc3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3s2)C1)N1CCOCC1,PYIWULUHGZUUOJ-UHFFFAOYSA-N
-rxn:4:215219:224672,CCN1CCN(c2ccc(-c3ccc4ccc(N5CCOC(C(=O)N6CCOCC6)C5)nc4c3)c(Cl)c2)CC1,BVLYCRYFQKJERC-UHFFFAOYSA-N
-rxn:4:215228:223179,CONC(=O)c1cc(-c2ccc3nc(N4CCN(C(=O)C5CCCCC5)CC4)sc3c2)ccc1F,LENARKIAVZQKEZ-UHFFFAOYSA-N
-rxn:4:215228:223839,COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1ccc2nc(N3CCN(C(=O)C4CCCCC4)CC3)sc2c1,GZHLBLFXTXFAMI-UHFFFAOYSA-N
-rxn:4:215261:223505,COc1ccc(-c2ccc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cc2)c(C(=O)N2CCc3nc4ccc(F)cn4c(=O)c3C2)c1,QYNOKWWTXOQGBW-UHFFFAOYSA-N
-rxn:4:215295:223179,CONC(=O)c1cc(-c2cnc3n2CCc2ccccc2C32CCN(C(=O)OC(C)(C)C)CC2)ccc1F,UKOMHLPLONDGFQ-UHFFFAOYSA-N
-rxn:4:215299:223279,COc1ccc(C2=NN3C(C2)c2cc(-c4cnc(C5CCCN5)nc4)ccc2OC32CCN(C(C)=O)CC2)cc1,XPKCGLMOYQUGEE-UHFFFAOYSA-N
-rxn:4:215299:227243,COc1ccc(C2=NN3C(C2)c2cc(-c4cccc(COC(C)=O)c4)ccc2OC32CCN(C(C)=O)CC2)cc1,YOGCLJBRZDFCSJ-UHFFFAOYSA-N
-rxn:4:215309:226844,CC(C)(C)OC(=O)c1ncn2c1[C@@H]1CCCN1C(=O)c1c(-c3ccnc(C(=O)C(F)(F)F)c3)cccc1-2,SYMKZDPMTIIAPT-SFHVURJKSA-N
-rxn:4:215805:224722,CN(C(=O)OC(C)(C)C)c1cc(-c2cc([N+](=O)[O-])cc(N3CCC(F)(F)CC3)n2)ccn1,HSVUDLXRYDBINX-UHFFFAOYSA-N
-rxn:4:215880:223712,CCN1CCN(c2ccc(-c3ccc(OC)c(C45CC6CC(CC(C6)C4)C5)c3)cn2)CC1,BDOVYGDDNMDCDS-UHFFFAOYSA-N
-rxn:4:215898:224377,CN1CCN(S(=O)(=O)c2ccc(-c3cnc(C4CCN(S(C)(=O)=O)CC4)cn3)cc2)CC1,ZNWXFTPYZQVJQU-UHFFFAOYSA-N
-rxn:4:215911:222447,COc1ccc2c(c1-c1cc(N3CCN(C)CC3)c([N+](=O)[O-])cc1F)N=C(NC(=O)OC(C)(C)C)C2,PNXVNRGOMIMBLR-UHFFFAOYSA-N
-rxn:4:215911:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3cc(N4CCN(C)CC4)c([N+](=O)[O-])cc3F)cc2)CC1,SDFNLFKKPYUNRJ-HZCBDIJESA-N
-rxn:4:215945:223786,CN1CCN(CCCOc2ccc(-c3cc(N4CCC(N(C)C)CC4)ccn3)cc2Cl)CC1,QEXVMLHLXHPPSI-UHFFFAOYSA-N
-rxn:4:215984:224190,COc1ccc(-c2ccc(-n3cccc3C=C3C(=O)N(C)C(=O)N(C)C3=O)cc2)cc1O[Si](C)(C)C(C)(C)C,VTCSICIAWWHGLF-UHFFFAOYSA-N
-rxn:4:216210:223575,COc1ccc2c(-c3ccccc3CN3CCN(C(=O)OC(C)(C)C)CC3)nn(C3CCCCO3)c2n1,SEBGEMIMPXMMAQ-UHFFFAOYSA-N
-rxn:4:216295:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccccc3C(=O)N3CCn4nc5c(c4C3)CCC5)c(F)c2)CC1,UIINPJNVZMJZAX-RQNOJGIXSA-N
-rxn:4:216319:226716,Cc1cc(C)n(C(=O)C2=C3CCCN3c3cc(-c4ccn(C(=O)OC(C)(C)C)n4)ccc3S2(=O)=O)n1,UYKSTNUNMZZDGZ-UHFFFAOYSA-N
-rxn:4:216354:223279,CC(=O)N1CCC2(CC1)Oc1ccc(-c3cnc(C4CCCN4)nc3)cc1C1CC(c3ccccc3)=NN12,UAOBLFGPLIQQAB-UHFFFAOYSA-N
-rxn:4:216567:223480,Cc1cc(-c2nncn2C(C)C)cc(C)c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,XFFHHRQYCINCQR-UHFFFAOYSA-N
-rxn:4:217029:223527,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)ccc2-c2ccc(N3CCCC3)nn2)CC1,YLWDTAMLEOUCBQ-UHFFFAOYSA-N
-rxn:4:217099:223594,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)cc(-c3nn[nH]c3C3CCCCC3)c2)CC1,BKFMREXUYCHWRX-UHFFFAOYSA-N
-rxn:4:217110:223696,CN1CCN(c2nc(-c3ccc(S(=O)(=O)N4CCC5(CC4)OCCO5)cc3)cs2)CC1,BDPYXWGXRXWDJT-UHFFFAOYSA-N
-rxn:4:217163:223480,Cc1cc(-c2cc(N3CCCCC3C)ncn2)cc(C)c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,LCJRLVMLXLPKTL-UHFFFAOYSA-N
-rxn:4:218567:224078,CN(CC1CN(C(=O)OC(C)(C)C)C1)c1cnc(-c2cccc3c2ccn3[Si](C)(C)C(C)(C)C)cn1,LBZBQYQBPDIDQO-UHFFFAOYSA-N
-rxn:4:218582:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cnc(OCC2CCCN(C(=O)Cc3cccnc3)C2)nc1,OVBLNKXLCCHKDF-UHFFFAOYSA-N
-rxn:4:218586:224677,N#Cc1ccc(CN2CCCC(COc3ncc(-c4ccc(Cl)c(C(=O)N5CCCCC5)c4)cn3)C2)c(F)c1,JSGBJWKDKWAKMQ-UHFFFAOYSA-N
-rxn:4:218589:222819,N#Cc1ccc(S(=O)(=O)N2CCCC(COc3ncc(-c4ccc(NC(=O)N5CCOCC5)nc4)cn3)C2)cc1,RLTSVEHXGFSTPV-UHFFFAOYSA-N
-rxn:4:218590:225589,N#Cc1ccccc1S(=O)(=O)N1CCCC(COc2ncc(-c3ccc(CN4CCSCC4)cc3)cn2)C1,ZXPOSCPGXZKYKF-UHFFFAOYSA-N
-rxn:4:218600:223279,CC(C)(C)OC(=O)N1CCN(CCn2cc(-c3cnc(C4CCCN4)nc3)cn2)CC1,GSSXVDPKLZXXRO-UHFFFAOYSA-N
-rxn:4:218600:223790,CC(C)(C)OC(=O)N1CCN(CCn2cc(-c3cncc(C4CCCN4C(=O)OC(C)(C)C)c3)cn2)CC1,DBTPSHAQKJXXGI-UHFFFAOYSA-N
-rxn:4:218600:225665,CC(C)(C)OC(=O)N1CCN(CCn2cc(-c3ccc(Cl)cc3N3CCCCC3)cn2)CC1,YLNPKHSCTKVBPI-UHFFFAOYSA-N
-rxn:4:218603:223279,O=C(CN1C(=O)CCC1=O)N1CCCC(COc2ncc(-c3cnc(C4CCCN4)nc3)cn2)C1,FMYLWJUPQIDZIA-UHFFFAOYSA-N
-rxn:4:218603:226844,O=C(CN1C(=O)CCC1=O)N1CCCC(COc2ncc(-c3ccnc(C(=O)C(F)(F)F)c3)cn2)C1,LNZHJQALLMTFKF-UHFFFAOYSA-N
-rxn:4:218615:223179,CONC(=O)c1cc(-c2cnc(N(C)CC3CCN(C(=O)OC(C)(C)C)C3)cn2)ccc1F,JYHYZDIJWFUWME-UHFFFAOYSA-N
-rxn:4:218621:226844,O=C1CCCC(=O)N1CCS(=O)(=O)N1CCC(Oc2ncc(-c3ccnc(C(=O)C(F)(F)F)c3)cn2)C1,RPMBPGQMWGGWHM-UHFFFAOYSA-N
-rxn:4:218640:225284,CC(C)Cc1cc(-c2cnc(OCC3CCCN(Cc4ncoc4C(C)C)C3)nc2)cnc1C(F)(F)F,MDZOXTDCAXUPKU-UHFFFAOYSA-N
-rxn:4:218641:223179,CONC(=O)c1cc(-c2ccccc2CCC(=O)N2CCC(S(=O)(=O)c3nncn3C)CC2)ccc1F,VAIMVIUJVMQVIC-UHFFFAOYSA-N
-rxn:4:218652:226844,CN(CC1CCN(C(=O)OC(C)(C)C)CC1)c1cnc(-c2ccnc(C(=O)C(F)(F)F)c2)cn1,KWKOQRDNUMHSIT-UHFFFAOYSA-N
-rxn:4:218653:223179,CONC(=O)c1cc(-c2cnn(CC3CN(C(=O)C4CC(=O)N(c5ccc(OC)cc5)C4)C3)c2)ccc1F,FZVZUBXMQOTOOR-UHFFFAOYSA-N
-rxn:4:218653:223279,COc1ccc(N2CC(C(=O)N3CC(Cn4cc(-c5cnc(C6CCCN6)nc5)cn4)C3)CC2=O)cc1,ILHLVTQGGISCJS-UHFFFAOYSA-N
-rxn:4:218668:226844,O=C(CN1CCN(c2ccccc2)C1=O)N1CCC(Oc2ncccc2-c2ccnc(C(=O)C(F)(F)F)c2)C1,ZZCPYOZXKTZDMP-UHFFFAOYSA-N
-rxn:4:218674:226844,Cc1nn(CCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c(C)c1-c1ccnc(C(=O)C(F)(F)F)c1,LKPBQLHCZZCVBR-UHFFFAOYSA-N
-rxn:4:218681:223279,CC(=O)N1CCC(C(=O)N2CCC(COc3ncc(-c4cnc(C5CCCN5)nc4)cn3)CC2)CC1,XTEJBTXRWBLTFG-UHFFFAOYSA-N
-rxn:4:218684:223179,CONC(=O)c1cc(-c2cccc(-c3ccc(C#N)c(N4CCN(C(=O)OC(C)(C)C)CC4)n3)c2)ccc1F,MNPDNBFPRPDCRH-UHFFFAOYSA-N
-rxn:4:218686:223179,CONC(=O)c1cc(-c2cnccc2N2CCC(OCC#CCN3CCN(C)CC3)CC2)ccc1F,RALZBBPBBPDHHN-UHFFFAOYSA-N
-rxn:4:218686:223279,CN1CCN(CC#CCOC2CCN(c3ccncc3-c3cnc(C4CCCN4)nc3)CC2)CC1,GOABNGXCASJUDA-UHFFFAOYSA-N
-rxn:4:218694:225330,COC(=O)c1cc(-c2ccc(-c3nccs3)c(C(=O)N3C[C@H](Oc4nccc(C#N)c4C)CC[C@H]3C)c2)cc(C(=O)OC)n1,KRPKUGJMEOHBCE-WZONZLPQSA-N
-rxn:4:218695:223179,CONC(=O)c1cc(-c2c(C)nn(CCC(=O)N3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)c2C)ccc1F,RMCWIRUVWRRVGU-UHFFFAOYSA-N
-rxn:4:218698:226844,O=C(C1CC(=O)N(c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2)C1)N1CCN(CCc2ccncc2)CC1,WROWBEXUEBBVAE-UHFFFAOYSA-N
-rxn:4:218699:223279,CC(C)(C)OC(=O)N1CCCN(c2nc(-c3cccc(-c4cnc(C5CCCN5)nc4)c3)ccc2C#N)CC1,QOFGJKGPCYGQHH-UHFFFAOYSA-N
-rxn:4:218700:223179,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(F)c(C(=O)NOC)c4)cc3)CC2c2ccc(F)cc2)C(=O)C1=O,KKJSRCKFLONVLO-UHFFFAOYSA-N
-rxn:4:218706:223279,Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCn3nc(C)c(-c4cnc(C5CCCN5)nc4)c3C)CC2)cc1C,YCRVAMBFHSWFHV-UHFFFAOYSA-N
-rxn:4:218708:224486,COc1ccc(C(=O)N2CCCN(c3cc(-c4ccc(-c5cccc(C(=O)N(C(C)C)C(C)C)c5)cc4)n[nH]3)CC2)c(OC)c1,HMXWLASYAJPWHH-UHFFFAOYSA-N
-rxn:4:218711:224461,CC(C)(C)OC(=O)N1CCN(C2CCN(c3ccc([N+](=O)[O-])cc3-c3cc(-c4ccccn4)cc(C4CC4)c3)CC2)CC1,JRGJJHXAJAUPDB-UHFFFAOYSA-N
-rxn:4:218714:226844,Cc1cc(C)c(S(=O)(=O)N2CCN(C(=O)CCn3nc(C)c(-c4ccnc(C(=O)C(F)(F)F)c4)c3C)CC2)c(C)c1,DGCWIAHLAKXTPG-UHFFFAOYSA-N
-rxn:4:218746:224759,CCOC(=O)C1CCCN(Cc2cn3c(-c4ccc(-c5cc(F)cc(C(=O)N6CCOCC6)c5)cc4)nnc3s2)C1,ITMJCXRELZZIAK-UHFFFAOYSA-N
-rxn:4:218769:226844,O=C(CN1CCN(C(=O)Cn2ccc3cc(-c4ccnc(C(=O)C(F)(F)F)c4)ccc32)CC1)N1CCCC1,VVSCQKGMAQUMQB-UHFFFAOYSA-N
-rxn:4:218778:223179,CONC(=O)c1cc(-c2cc(Cl)cc3c2nc(N2CC4(CN(C(=O)OC(C)(C)C)C4)C2)n3Cc2cc(C)c(F)c(C)c2)ccc1F,XNAXWJOMYVAKEV-UHFFFAOYSA-N
-rxn:4:218786:223179,CONC(=O)c1cc(-c2cccc3c4c([nH]c23)CCN(C(=O)CCC(=O)N2CCN(S(C)(=O)=O)CC2)C4)ccc1F,ORZNXOMBWSODEK-UHFFFAOYSA-N
-rxn:4:218788:223179,CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C2CCCCC2)c1=NC(=O)c1ccccc1-c1ccc(F)c(C(=O)NOC)c1,XEZLOJVSWMINRA-UHFFFAOYSA-N
-rxn:4:218788:223279,CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C2CCCCC2)c1=NC(=O)c1ccccc1-c1cnc(C2CCCN2)nc1,URGXUVUSAGCOJM-UHFFFAOYSA-N
-rxn:4:218815:223279,O=C(CN1C(=O)CCC1=O)N1CC(Cn2cc(-c3cnc(C4CCCN4)nc3)cn2)C1,PHICYRSMDDBAGS-UHFFFAOYSA-N
-rxn:4:218815:226844,O=C(CN1C(=O)CCC1=O)N1CC(Cn2cc(-c3ccnc(C(=O)C(F)(F)F)c3)cn2)C1,WTIUOKSEMPOMOQ-UHFFFAOYSA-N
-rxn:4:218832:223743,Cc1ccc(-c2cnc(OCC3CCCN(C(=O)c4cscn4)C3)nc2)cc1OCCCN1CCC(C)CC1,LLTYDONGHOTHIH-UHFFFAOYSA-N
-rxn:4:218867:224991,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3cc(C4CC4)nc(N4CCCC4)c3)c2)no1,KNKFTHBDXSBNEV-UHFFFAOYSA-N
-rxn:4:218867:225446,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3cc(C)cc(OC4CCCC4)c3)c2)no1,GBDJLMBMZZPPJS-UHFFFAOYSA-N
-rxn:4:218886:223812,Cc1ncsc1C(=O)N1CCCC(COc2ncc(-c3cc(F)cc(CN4CCC5(CC4)OCCO5)c3)cn2)C1,JABWHBHNTUPFLL-UHFFFAOYSA-N
-rxn:4:218896:224830,O=C(c1cncc(F)c1)N1CCCC(COc2ncc(-c3cc(C(F)(F)F)nn3C3CCCCO3)cn2)C1,KBHXVGMXOBFTSZ-UHFFFAOYSA-N
-rxn:4:218917:223226,CCC(=O)Nc1cccc(-c2cnc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)nc2)c1,LHKCNQAKRYVKRY-UHFFFAOYSA-N
-rxn:4:218919:223945,Cc1cc(=O)n(CC(=O)N2CCC(Oc3ccncc3-c3ccc(OCCCN4CCOCC4)c(F)c3)C2)cn1,QHTQPRKSEDQLHX-UHFFFAOYSA-N
-rxn:4:218944:223382,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3cnc(NC4CC4)nc3)cc2[N+](=O)[O-])CC1,GPEHZEGCLWZTDD-UHFFFAOYSA-N
-rxn:4:218948:223279,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ncc(-c3cnc(C4CCCN4)nc3)cn2)CC1,MTKPYTDGTIRYFN-UHFFFAOYSA-N
-rxn:4:218964:223179,CONC(=O)c1cc(-c2cnn(CC3CN(C(=O)C4CCN(C(C)=O)CC4)C3)c2)ccc1F,AGURZLRAASHLEF-UHFFFAOYSA-N
-rxn:4:218965:223179,CONC(=O)c1cc(-c2c(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cnn2C)ccc1F,CJUJZKPGVHUMHP-UHFFFAOYSA-N
-rxn:4:218965:223279,Cn1ncc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1-c1cnc(C2CCCN2)nc1,GDOZRXCXIFRUDQ-UHFFFAOYSA-N
-rxn:4:218976:223279,O=C1C(N2CCC(Oc3ncc(-c4cnc(C5CCCN5)nc4)cn3)CC2)CCN1CC(F)(F)F,HXYRXXNHSLYFAM-UHFFFAOYSA-N
-rxn:4:218977:226844,O=C(c1ccc(N2C(=O)CCC2=O)cc1)N1CC(Cn2cc(-c3ccnc(C(=O)C(F)(F)F)c3)cn2)C1,SKALTVPDMWTPIT-UHFFFAOYSA-N
-rxn:4:218991:223179,CONC(=O)c1cc(-c2cn(C)nc2CN2CCN(C(=O)OC(C)(C)C)CC2)ccc1F,TYSJJSQOEBUATD-UHFFFAOYSA-N
-rxn:4:218991:223279,Cn1cc(-c2cnc(C3CCCN3)nc2)c(CN2CCN(C(=O)OC(C)(C)C)CC2)n1,YIAFUBRXFWIZFS-UHFFFAOYSA-N
-rxn:4:218991:226844,Cn1cc(-c2ccnc(C(=O)C(F)(F)F)c2)c(CN2CCN(C(=O)OC(C)(C)C)CC2)n1,BCSCUGPOWKEJKG-UHFFFAOYSA-N
-rxn:4:218992:223279,CS(=O)(=O)N1CCC(C(=O)N2CC(Cn3cc(-c4cnc(C5CCCN5)nc4)cn3)C2)CC1,QZJZTVNTRXNYDU-UHFFFAOYSA-N
-rxn:4:218992:226844,CS(=O)(=O)N1CCC(C(=O)N2CC(Cn3cc(-c4ccnc(C(=O)C(F)(F)F)c4)cn3)C2)CC1,ARLQUIVYLCPZEL-UHFFFAOYSA-N
-rxn:4:218998:223983,CCN1CCN(S(=O)(=O)c2ccccc2-c2cnc(OCC3CCCN(C(=O)N4CCOCC4)C3)nc2)CC1,VJYNMGMUBSLIOS-UHFFFAOYSA-N
-rxn:4:218998:225093,CCCOc1c(Cl)cc(-c2cnc(OCC3CCCN(C(=O)N4CCOCC4)C3)nc2)cc1OCC,VJXUTYPOQRCZRA-UHFFFAOYSA-N
-rxn:4:219013:223179,CONC(=O)c1cc(-c2cncc([N+](=O)[O-])c2N2CCN(C(=O)OC(C)(C)C)C(C)C2)ccc1F,LYBPGDLPXVARLF-UHFFFAOYSA-N
-rxn:4:219013:223184,CC1CN(c2c(-c3cnc(N4CCNCC4)nc3)cncc2[N+](=O)[O-])CCN1C(=O)OC(C)(C)C,MBTXFUQGHXGDRQ-UHFFFAOYSA-N
-rxn:4:219015:226844,COc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)c(C(=O)N2CCC(S(=O)(=O)c3nncn3C)CC2)c1,QMQKPWZCPGOFQX-UHFFFAOYSA-N
-rxn:4:219026:225325,CCOC(=O)c1cc(-c2cnn(C)c2C(=O)N2CCN(C(=O)OC(C)(C)C)C(C)C2)cc([N+](=O)[O-])c1,CYPRUSWSFZCLFG-UHFFFAOYSA-N
-rxn:4:219028:223279,CC1CN(C(=O)c2cnn(C)c2-c2cnc(C3CCCN3)nc2)CCN1C(=O)OC(C)(C)C,FRNMLIBEVNKNGL-UHFFFAOYSA-N
-rxn:4:219028:226844,CC1CN(C(=O)c2cnn(C)c2-c2ccnc(C(=O)C(F)(F)F)c2)CCN1C(=O)OC(C)(C)C,VUYCHZZGRAIQEQ-UHFFFAOYSA-N
-rxn:4:219046:223179,CONC(=O)c1cc(-c2cnc(OCC3CCCN(C4CCN(C5CC5)C4=O)C3)nc2)ccc1F,IGOJPOQDYYJYOZ-UHFFFAOYSA-N
-rxn:4:219053:225984,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cncc(-c4cnc(Cl)c(N5CCOCC5)c4)c3)cn2)CC1,YPEQLRVDUHFWHM-UHFFFAOYSA-N
-rxn:4:219057:224352,O=C(Cc1ccc(-c2ccc(C3CCCOC3)c(C(F)(F)F)c2)cc1)N1CCN(c2cc(-c3ccc(Cl)cc3)n[nH]2)CC1,UMVIDGBVFMJTTP-UHFFFAOYSA-N
-rxn:4:219061:223179,CONC(=O)c1cc(-c2cnc(OC3CCCN(C(=O)C4CCN(S(C)(=O)=O)CC4)C3)nc2)ccc1F,DEGQGPCFMJMTTC-UHFFFAOYSA-N
-rxn:4:219067:223179,CONC(=O)c1cc(-c2cccc(N3CC(C(=O)N4CCC(Cn5ccnc5)CC4)CC3=O)c2)ccc1F,XYDWFSWUZJQSEH-UHFFFAOYSA-N
-rxn:4:219067:226844,O=C(C1CC(=O)N(c2cccc(-c3ccnc(C(=O)C(F)(F)F)c3)c2)C1)N1CCC(Cn2ccnc2)CC1,WKPCIJKCVVLNTL-UHFFFAOYSA-N
-rxn:4:219070:224326,Cc1cc(-c2ccc(-c3cc(N4CCCN(C(=O)Cc5ccccc5)CC4)[nH]n3)cc2)ccc1S(=O)(=O)N1CCCCC1,KUKSBTLVTTVRFC-UHFFFAOYSA-N
-rxn:4:219078:226844,O=C(c1ccccc1-c1ccnc(C(=O)C(F)(F)F)c1)N1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2)CC1,RXHWPQWHYXMKLD-UHFFFAOYSA-N
-rxn:4:219120:222634,O=C(c1cncc(-c2ccc(OCCNC3CCCC3)c(F)c2)c1)N1CC2CCCC2(COc2ncc(F)cn2)C1,VPYYIHQIRWPKDS-UHFFFAOYSA-N
-rxn:4:219130:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3ccc(C(=O)N4CCN(Cc5nc6cc(OC)ccc6[nH]5)CC4)o3)c2)CC1,YZLZQVRMNNYPHJ-UHFFFAOYSA-N
-rxn:4:219136:223179,CONC(=O)c1cc(-c2ccc(OC)cc2CN2N=NC3C(=O)N(c4ccc(OC)cc4)C(=O)C32)ccc1F,KEQQXABVCLBDDZ-UHFFFAOYSA-N
-rxn:4:219136:226844,COc1ccc(N2C(=O)C3N=NN(Cc4cc(OC)ccc4-c4ccnc(C(=O)C(F)(F)F)c4)C3C2=O)cc1,CYWODPWEWLKQFM-UHFFFAOYSA-N
-rxn:4:219144:223179,CONC(=O)c1cc(-c2cnc(OC3CCN(CCN4C(=O)c5ccccc5C4=O)CC3)nc2)ccc1F,QSZXQGIVCZEWDN-UHFFFAOYSA-N
-rxn:4:219161:223279,COc1cc(C2CCCN(C(=O)OC(C)(C)C)C2)nc2c(-c3cnc(C4CCCN4)nc3)cnn12,PFZHWFMSNZEAAS-UHFFFAOYSA-N
-rxn:4:219182:223179,CONC(=O)c1cc(-c2ccc(OC)cc2C(=O)N2CCN(C(=O)c3cc4n(n3)CCCC4)CC2)ccc1F,RAOMNUQOTRPLKJ-UHFFFAOYSA-N
-rxn:4:219182:223279,COc1ccc(-c2cnc(C3CCCN3)nc2)c(C(=O)N2CCN(C(=O)c3cc4n(n3)CCCC4)CC2)c1,OKKHKAUZZIBFJI-UHFFFAOYSA-N
-rxn:4:219381:223167,CSc1ncc(-c2ccnc(N3CCNCC3)c2)c(N2CCN(S(=O)(=O)C3CC3)CC2)n1,YXSLGIRWZNBHPX-UHFFFAOYSA-N
-rxn:4:219401:226844,CC(C)(C)OC(=O)N1CCCN(c2nnc(-c3ccnc(C(=O)C(F)(F)F)c3)s2)CC1,LCOPJVMVZBZHAU-UHFFFAOYSA-N
-rxn:4:219407:225593,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3cc(F)cc(CN4CCCC4)c3)cn2)CC1,KIHHQHDKIOJORK-UHFFFAOYSA-N
-rxn:4:219409:224172,Cc1c(C(=O)N2CCOCC2)nnn1Cc1ccc(-c2cccc(CN(C)C(=O)OC(C)(C)C)c2)cc1,PGFWTPDGLLKXGB-UHFFFAOYSA-N
-rxn:4:219410:223179,CONC(=O)c1cc(-c2cnc(OC3CCN(S(=O)(=O)N4CCOCC4)C3)nc2)ccc1F,XPSBTUCEYHDFQA-UHFFFAOYSA-N
-rxn:4:219414:226844,N#Cc1cc(-c2ccnc(C(=O)C(F)(F)F)c2)cnc1N1CCOC(C(=O)N2CCCC2)C1,FDUTZHVFUHAVAY-UHFFFAOYSA-N
-rxn:4:219436:223679,CCN1CCN(S(=O)(=O)c2c(C)cc(-c3cnc(N4CCOC(C(=O)N5CCOCC5)C4)c(C#N)c3)cc2C)CC1,MZROUWOZJBPFKT-UHFFFAOYSA-N
-rxn:4:219436:226844,N#Cc1cc(-c2ccnc(C(=O)C(F)(F)F)c2)cnc1N1CCOC(C(=O)N2CCOCC2)C1,KFBFGJZSCHUFMJ-UHFFFAOYSA-N
-rxn:4:219453:223179,CONC(=O)c1cc(-c2cnn(CC3CN(C4CCN(C(C)C)C4=O)C3)c2)ccc1F,GFKPQRSGDYOQPX-UHFFFAOYSA-N
-rxn:4:219454:223072,CCCNS(=O)(=O)c1ccc(-c2nnn(C3CCN(C(=O)OC(C)(C)C)CC3)c2C)cc1,AYSDGOGBSBSBPG-UHFFFAOYSA-N
-rxn:4:219455:226844,CC1CN(C(=O)OC(C)(C)C)CCC1c1nc(-c2ccnc(C(=O)C(F)(F)F)c2)n[nH]1,RKLHZAAAAKJBRL-UHFFFAOYSA-N
-rxn:4:219456:226844,CC1CN(C(=O)OC(C)(C)C)CCC1n1ncc(-c2ccnc(C(=O)C(F)(F)F)c2)n1,OCPRDXWAGWSAKP-UHFFFAOYSA-N
-rxn:4:219462:227243,CC(=O)OCc1cccc(-c2cnc(OC3CCCN(S(=O)(=O)N4CCCC4)C3)nc2)c1,MWALNUAVISRNHY-UHFFFAOYSA-N
-rxn:4:219471:223179,CONC(=O)c1cc(-c2cnc(SC)nc2N2CCOC(C(=O)N3CCCC3)C2)ccc1F,FONXLKCKIVOTBH-UHFFFAOYSA-N
-rxn:4:219488:223179,CONC(=O)c1cc(-c2cnc(N3CCN(C(=O)OC(C)(C)C)C[C@@H]3C)nc2)ccc1F,ZAHSFOHHYVZWHA-AWEZNQCLSA-N
-rxn:4:219488:226844,C[C@H]1CN(C(=O)OC(C)(C)C)CCN1c1ncc(-c2ccnc(C(=O)C(F)(F)F)c2)cn1,UOWBCFNUGCEECX-ZDUSSCGKSA-N
-rxn:4:219499:222584,N#Cc1cc(-c2ccc(OCCCN3CCNCC3)c(F)c2)cnc1N1CCCC(C(=O)N2CCOCC2)C1,RAZVWTMNIDSYPS-UHFFFAOYSA-N
-rxn:4:219499:227480,CCCOc1nccc(-c2cnc(N3CCCC(C(=O)N4CCOCC4)C3)c(C#N)c2)c1Cl,RCRMKTNDNOSOHH-UHFFFAOYSA-N
-rxn:4:219501:223279,CSc1ncc(-c2cnc(C3CCCN3)nc2)c(N2CCOC(C(=O)N3CCOCC3)C2)n1,ZOUJKHMOLVMANA-UHFFFAOYSA-N
-rxn:4:219507:223179,CONC(=O)c1cc(-c2ccccc2C(=O)N2CCC(n3nc(C(F)(F)F)n(C)c3=O)CC2)ccc1F,SOLBWDLPTBXZOM-UHFFFAOYSA-N
-rxn:4:219516:223179,CONC(=O)c1cc(-c2cnc(OC3CCN(CC4CC(=O)N(C)C4)CC3)nc2)ccc1F,PTSHQCBGVMAWDY-UHFFFAOYSA-N
-rxn:4:219516:226844,CN1CC(CN2CCC(Oc3ncc(-c4ccnc(C(=O)C(F)(F)F)c4)cn3)CC2)CC1=O,YLDUXWUMHVRHIZ-UHFFFAOYSA-N
-rxn:4:219532:223903,COc1nc(N2CCCC(C(=O)N3CCSCC3)C2)ncc1-c1ccccc1CCC(=O)N1CCC(=O)CC1,LVNVTWZHURUKPV-UHFFFAOYSA-N
-rxn:4:219538:224107,COc1ccc(COc2ccc(-c3cnc(N4CCC(C(=O)N5CCC(F)(F)CC5)CC4)c(C#N)c3)cc2)cc1,WCJDXIORKBSAGV-UHFFFAOYSA-N
-rxn:4:219538:226844,N#Cc1cc(-c2ccnc(C(=O)C(F)(F)F)c2)cnc1N1CCC(C(=O)N2CCC(F)(F)CC2)CC1,WEUIMMOTVGSZAX-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:4:219552:226844,COc1nc(N2CCC(C(=O)N3CCC(F)(F)CC3)CC2)ncc1-c1ccnc(C(=O)C(F)(F)F)c1,YMCDOZMIJFUFJZ-UHFFFAOYSA-N
-rxn:4:219559:223279,Cc1nn(C)c(C)c1S(=O)(=O)N1CCCN(C(=O)c2ccc(-c3cnc(C4CCCN4)nc3)o2)CC1,GPNDNGYGAYNWNV-UHFFFAOYSA-N
-rxn:4:219565:223179,CONC(=O)c1cc(-c2ccc(S(=O)(=O)N3CCCN(c4nc(C)cc(C)c4C#N)CC3)cc2)ccc1F,JOKHOADDKWKGNH-UHFFFAOYSA-N
-rxn:4:219565:223658,Cc1cc(C)c(C#N)c(N2CCCN(S(=O)(=O)c3ccc(-c4ccc(S(=O)(=O)N5CCOCC5)c5ccccc45)cc3)CC2)n1,YKMNVOFUEMVIMQ-UHFFFAOYSA-N
-rxn:4:219569:226000,COc1cc(N2CCC(N3CCN(C)CC3)CC2)c(-c2ccc(OC(C)=O)c([N+](=O)[O-])c2)cc1[N+](=O)[O-],QBZVGHJIRNKQIN-UHFFFAOYSA-N
-rxn:4:219569:226844,COc1cc(N2CCC(N3CCN(C)CC3)CC2)c(-c2ccnc(C(=O)C(F)(F)F)c2)cc1[N+](=O)[O-],KQVYRUMLTFCMFB-UHFFFAOYSA-N
-rxn:4:219619:223568,CON(C)C(=O)c1nn(C2CCCCO2)c2ncc(-c3cnc4c(ccn4[Si](C(C)C)(C(C)C)C(C)C)c3Cl)cc12,GALNIVKUOJYGBB-UHFFFAOYSA-N
-rxn:4:219623:222796,Cc1ccc(S(=O)(=O)NC(C)(C)C)cc1-c1ccc(C(=O)N2CCN(S(=O)(=O)c3cccc4nsnc34)CC2)o1,SJQCBRUHGOQPNR-UHFFFAOYSA-N
-rxn:4:219627:226844,CC(C)(C)OC(=O)N1C2CCC1CN(c1nnc(-c3ccnc(C(=O)C(F)(F)F)c3)s1)C2,MAVVCDXRGDKJDU-UHFFFAOYSA-N
-rxn:4:219630:225294,CCN1CCN(c2ncc(-c3cc(C#N)c4[nH]nc(C5CCN(S(=O)(=O)CC)CC5)c4c3)cn2)CC1,GIWYLBDOEMTGAE-UHFFFAOYSA-N
-rxn:4:219649:223179,CONC(=O)c1cc(-c2ccc(OC)cc2CN2N=NC3C(=O)N(c4ccc(Cl)cc4)C(=O)C32)ccc1F,ROWDICNKFHNQSQ-UHFFFAOYSA-N
-rxn:4:219651:223179,CONC(=O)c1cc(-c2ccc(OC)cc2CN2N=NC3C(=O)N(c4ccc(F)cc4)C(=O)C32)ccc1F,RKWHWEWJIGLPAY-UHFFFAOYSA-N
-rxn:4:219654:222584,CC(C)(C)OC(=O)N1CCN(c2ncnc3sc(-c4ccc(OCCCN5CCNCC5)c(F)c4)cc23)CC1,CSVFBCKSYPJMQL-UHFFFAOYSA-N
-rxn:4:219690:226844,CC(C)(C)OC(=O)N1CCC(n2nnc3cc(F)c(-c4ccnc(C(=O)C(F)(F)F)c4)cc32)CC1,WPZSAIKMVJRKAC-UHFFFAOYSA-N
-rxn:4:219706:225389,CCC(C)c1cc(-c2cc3ncnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3cc2Cl)cc(C2CC2)c1,OBPBAEBHTUTLBY-UHFFFAOYSA-N
-rxn:4:219707:226619,Cc1nc(N2CCCC2)ncc1-c1c(Cl)cc2c(N3CCN(C(=O)OC(C)(C)C)CC3)ncnc2c1F,MZRMBYNTGSWRFY-UHFFFAOYSA-N
-rxn:4:219710:223279,COc1cc(OC)cc(N2C(=O)C3N=NN(c4ccc(-c5cnc(C6CCCN6)nc5)c(C)c4)C3C2=O)c1,DSYDICYXVAXXJF-UHFFFAOYSA-N
-rxn:4:219716:224791,Cc1cc(N2CC3CN(C(=O)Cc4ccc(-c5ccc(C(=O)OC(C)C)cc5[N+](=O)[O-])cc4)CC3C2)ncn1,NNWJMWUOJJKXME-UHFFFAOYSA-N
-rxn:4:219762:226844,CC(=O)C1=C(c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2)N(C(C)=O)n2c(nnc2C2CCCCC2)S1,CNPNDDVMAGYGLA-UHFFFAOYSA-N
-rxn:4:219766:226844,O=C(c1cncc(-c2ccnc(C(=O)C(F)(F)F)c2)c1)N1CCC(Cn2nc3c(cc2=O)CCCC3)CC1,WIOPTECLCFYUQD-UHFFFAOYSA-N
-rxn:4:219780:223279,CC(=O)N1CCc2c(c(N3CCCc4cc(-c5cnc(C6CCCN6)nc5)c(C(F)F)cc43)nn2C2CCOCC2)C1,SKVRNJADYKBCPR-UHFFFAOYSA-N
-rxn:4:219780:226231,CCCCOc1ncc(-c2cc3c(cc2C(F)F)N(c2nn(C4CCOCC4)c4c2CN(C(C)=O)CC4)CCC3)cc1C,MBWQLTPGGDTKKU-UHFFFAOYSA-N
-rxn:4:219853:224325,CC(=O)N1CCN(c2ncc(-c3ccc(C4=CCN(S(C)(=O)=O)CC4)cc3)cc2C#N)CC1,QQBKDBKNDHXBKA-UHFFFAOYSA-N
-rxn:4:219857:223689,CCN1CCN(S(=O)(=O)c2cc(-c3cccc(C(=O)N4CCC(n5ccnn5)C4)c3)ccc2OC)CC1,GLDSAANSXVSOJJ-UHFFFAOYSA-N
-rxn:4:219868:224368,CCN1CCN(c2c(-c3cnc(Cl)c(N(C)C(=O)OC(C)(C)C)c3)cncc2[N+](=O)[O-])CC1,ANCAPUSPQBZLBP-UHFFFAOYSA-N
-rxn:4:219880:223835,CSc1ncc(-c2cc(S(=O)(=O)N3CCC(C)CC3)c(C)cc2F)c(N2CCN(S(C)(=O)=O)CC2)n1,JASBEIOIZJJTTO-UHFFFAOYSA-N
-rxn:4:219892:224398,CC(=O)N(C)C1CCN(c2ncc(-c3cc(S(=O)(=O)N4CCCC4)c(C)cc3F)cn2)CC1,LLNWMECLONBBQA-UHFFFAOYSA-N
-rxn:4:219975:226844,O=C(C1CN(c2ncc(-c3ccnc(C(=O)C(F)(F)F)c3)cn2)CCO1)N1CCCCC1,OIMDTSCPULSZJP-UHFFFAOYSA-N
-rxn:4:219991:222943,CN1C(=O)CN(C2CCN(C(=O)c3cncc(-c4ccc(F)c(S(=O)(=O)NC5CC5)c4)c3)CC2)C1=O,ADDQKTJQPIPJMV-UHFFFAOYSA-N
-rxn:4:220041:222812,CC(C)(C)OC(=O)Nc1cc(-c2nnn3c2CN(C(=O)OC(C)(C)C)CC3)cnc1Cl,DJMKFOJKUOGJJT-UHFFFAOYSA-N
-rxn:4:220131:226844,N#Cc1cc(-c2ccnc(C(=O)C(F)(F)F)c2)cnc1N1CC(N2CC3CCCC3C2)C1,YXOPIQZDALOHGO-UHFFFAOYSA-N
-rxn:4:220136:222811,CC(C)(C)OC(=O)Nc1cc(-c2ccc3ncnc(N4CCN(S(=O)(=O)C5CC5)CC4)c3c2)cc(Cl)n1,VWPNSWCDFVOTAR-UHFFFAOYSA-N
-rxn:4:220136:224392,Cc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1ccc2ncnc(N3CCN(S(=O)(=O)C4CC4)CC3)c2c1,ZYLMMCOGHXABKS-UHFFFAOYSA-N
-rxn:4:220141:223279,Cn1nc2cc(-c3cnc(C4CCCN4)nc3)ccc2c1C(=O)N1CCC(N2C(=O)CSC2=O)C1,YCUOUQCEHAPMLH-UHFFFAOYSA-N
-rxn:4:220149:223179,CONC(=O)c1cc(-c2ccc3c(N4CC(C(=O)N5CCOCC5)CC4=O)[nH]nc3c2)ccc1F,WRLQEUUTJQOOJX-UHFFFAOYSA-N
-rxn:4:220161:222693,COc1cccc(N2C(=O)C3N=NN(c4ccc(-c5ccc(S(=O)(=O)NC6CCCCC6)cc5)c(C)c4)C3C2=O)c1,TZIUPCBVSRWTPD-UHFFFAOYSA-N
-rxn:4:220225:226844,O=C(C1CCCN(c2ncnc3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc23)C1)N1CCOCC1,HRMCOMMHDVXBBV-UHFFFAOYSA-N
-rxn:4:220266:226844,Cn1c(=O)c2nc(-c3ccnc(C(=O)C(F)(F)F)c3)n(CC(=O)C34CC5CC(CC(C5)C3)C4)c2n(C)c1=O,GOYNLUBYXRSEHO-UHFFFAOYSA-N
-rxn:4:220267:223568,Cc1cc(C)c(C)c(C2=NON3N(C(=O)c4ccc(-c5cnc6c(ccn6[Si](C(C)C)(C(C)C)C(C)C)c5Cl)cc4)c4ccccc4N23)c1C,SIZAPEVWTOYICI-UHFFFAOYSA-N
-rxn:4:220398:224325,CN1CCN(c2ncc(-c3ccc(C4=CCN(S(C)(=O)=O)CC4)cc3)cc2[N+](=O)[O-])CC1,PODCVJGYSUBDLC-UHFFFAOYSA-N
-rxn:4:220428:223489,Cc1ccnc(N2CCN(c3cccc(-c4ccc(S(=O)(=O)N5CCC(O[Si](C)(C)C(C)(C)C)CC5)cc4)c3)CC2)n1,FNBRHLBRUSIPPL-UHFFFAOYSA-N
-rxn:4:220546:223712,COc1ccc(-c2ccc(N3CCN(c4ncnc5c4CCC5)CC3)cc2)cc1C12CC3CC(CC(C3)C1)C2,CVHBNRUYMZEUAY-UHFFFAOYSA-N
-rxn:4:220936:223532,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)cc(-c3cn4ccnc4c(N4CCOCC4)n3)c2)CC1,QAKTZRUZGQSCGZ-UHFFFAOYSA-N
-rxn:4:220936:223533,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cn4ccnc4c(N4CCOCC4)n3)c(F)c2)CC1,NWXZSCDCIMWYFE-UHFFFAOYSA-N
-rxn:4:220936:223536,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cn4ccnc4c(N4CCOCC4)n3)cc(F)c2F)CC1,OZAJKIURFKKNFD-UHFFFAOYSA-N
-rxn:4:221088:225080,COC(=O)C1CCc2cc(-c3cnc(OCC4CCCN(Cc5nnc(C(F)(F)F)o5)C4)nc3)ccc2O1,HSIRMNJIDRODNP-UHFFFAOYSA-N
-rxn:4:221103:222918,Cc1cc(=O)n(CC(=O)N2CCCC(COc3ncc(-c4cccc(S(=O)(=O)NC(C)(C)C)c4)cn3)C2)cn1,NFTXHTXFORTHBB-UHFFFAOYSA-N
-rxn:4:221110:223279,CN1CCN(CC#CCOC2CCN(c3ncc(-c4cnc(C5CCCN5)nc4)cn3)CC2)CC1,SHWCTJAYIFWNDR-UHFFFAOYSA-N
-rxn:4:221111:223279,O=C(C1CC(=O)N(c2cccc(-c3cnc(C4CCCN4)nc3)c2)C1)N1CCN(CCn2ccnc2)CC1,KFVUUOLNRJMWMP-UHFFFAOYSA-N
-rxn:4:221113:223179,CONC(=O)c1cc(-c2ccccc2CC(=O)N2CCN(Cc3nncn3C3CCCCC3)CC2)ccc1F,IEJUJIVBPKJEDZ-UHFFFAOYSA-N
-rxn:4:221113:227089,O=C(Cc1ccccc1-c1ccncc1C1CCCC1)N1CCN(Cc2nncn2C2CCCCC2)CC1,WNJHBBGRAZVONI-UHFFFAOYSA-N
-rxn:4:221114:223179,CCOc1ccc(-c2ccc(F)c(C(=O)NOC)c2)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N3CCCC3)n2)CC1,YLBJLBYSFNVSBB-UHFFFAOYSA-N
-rxn:4:221114:226844,CCOc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N3CCCC3)n2)CC1,NESRBVQRTYWQEK-UHFFFAOYSA-N
-rxn:4:221115:223179,CCOc1ccc(-c2ccc(F)c(C(=O)NOC)c2)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N3CCOCC3)n2)CC1,MAYQNAUCDUEZNJ-UHFFFAOYSA-N
-rxn:4:221116:223179,CCOc1ccc(-c2ccc(F)c(C(=O)NOC)c2)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N3CCCCC3)n2)CC1,GARPEUBWAAHSAL-UHFFFAOYSA-N
-rxn:4:221116:226844,CCOc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N3CCCCC3)n2)CC1,FCKQNRALTUUYKK-UHFFFAOYSA-N
-rxn:4:221121:223279,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cnc(C6CCCN6)nc5)ccc43)CC2)CC1,AOJHGYWZSSQTTP-UHFFFAOYSA-N
-rxn:4:221128:226844,CCOC(=O)C1CCCN(c2nc3c(S(=O)(=O)c4ccc(-c5ccnc(C(=O)C(F)(F)F)c5)cc4)nnn3c3ccccc23)C1,FAWVTHIOKBFZGK-UHFFFAOYSA-N
-rxn:4:221129:226844,CCOC(=O)C1CCN(c2nc3c(S(=O)(=O)c4ccc(-c5ccnc(C(=O)C(F)(F)F)c5)cc4)nnn3c3ccccc23)CC1,LLMQZZQLOOALGX-UHFFFAOYSA-N
-rxn:4:221171:222524,CCc1ncnc(N2CCCC(COc3ncc(-c4cc(F)c(F)cc4S(=O)(=O)N4CCC(O)CC4)cn3)C2)c1F,PICUWTXVQXJWDQ-UHFFFAOYSA-N
-rxn:4:221172:224618,Cn1nc(C(=O)N2CCC(COc3ncc(-c4ccnc(CO[Si](C)(C)C(C)(C)C)c4)cn3)CC2)ccc1=O,MOOBCLNEMJOFOP-UHFFFAOYSA-N
-rxn:4:221175:223279,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4cnc(C5CCCN5)nc4)cn3)C2)C(=O)C1=O,VKNWGSZSYSKSLE-UHFFFAOYSA-N
-rxn:4:221175:223811,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4ccc(CN5CCC6(CC5)OCCO6)c(Cl)c4)cn3)C2)C(=O)C1=O,SEQUUXKWQLVGRK-UHFFFAOYSA-N
-rxn:4:221180:224592,Cc1cc(C(=O)N2CCC(COc3ncc(-c4cc(C5(C#N)CCCCC5)ccc4F)cn3)CC2)nn1C,UYIWYELRTKIRQU-UHFFFAOYSA-N
-rxn:4:221202:223179,CONC(=O)c1cc(-c2ccccc2C(=O)N2CCN(Cc3nncn3C3CCCCC3)CC2)ccc1F,GALBGLWTYGSDJT-UHFFFAOYSA-N
-rxn:4:221232:226844,N#Cc1cc2c(nc1N1CCCC(COc3ncc(-c4ccnc(C(=O)C(F)(F)F)c4)cn3)C1)CCOC2,VPUMHGVCAGBAOA-UHFFFAOYSA-N
-rxn:4:221249:223059,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc4c(-c5ccc(N6CCNCC6)cc5Cl)cnn4c3)cc2)CC1,HXUMRANVNUVINP-UHFFFAOYSA-N
-rxn:4:221249:223062,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc4c(-c5cnc(C6CCNCC6)cc5F)cnn4c3)cc2)CC1,SBHLNNKAQKDBNE-UHFFFAOYSA-N
-rxn:4:221249:223064,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc4c(-c5ccc(C6CCNCC6)nc5F)cnn4c3)cc2)CC1,DOZMXNSFBPAQPM-UHFFFAOYSA-N
-rxn:4:221249:225882,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc4c(-c5cnc(Cl)c(C6CCOCC6)c5)cnn4c3)cc2)CC1,HYUOWNIFPPFTFN-UHFFFAOYSA-N
-rxn:4:221249:225883,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc4c(-c5cnc(C6CCOCC6)c(Cl)c5)cnn4c3)cc2)CC1,UYDDDFDIAAYTRH-UHFFFAOYSA-N
-rxn:4:221249:225979,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc4c(-c5cnc(N6CCOCC6)c(Cl)c5)cnn4c3)cc2)CC1,VLUNLVHEAIUBDN-UHFFFAOYSA-N
-rxn:4:221249:225980,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc4c(-c5cc(N6CCOCC6)ncc5F)cnn4c3)cc2)CC1,FHCAZSSEFGJWRF-UHFFFAOYSA-N
-rxn:4:221249:225982,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc4c(-c5cnc(N6CCOCC6)cc5F)cnn4c3)cc2)CC1,IIEFQTSDXODXKI-UHFFFAOYSA-N
-rxn:4:221249:225984,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc4c(-c5cnc(Cl)c(N6CCOCC6)c5)cnn4c3)cc2)CC1,ZBXGFBNZXVENTO-UHFFFAOYSA-N
-rxn:4:221252:223179,CCC1CCCCN1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(-c2ccc(F)c(C(=O)NOC)c2)cc1,VAHHFILULSMOCJ-UHFFFAOYSA-N
-rxn:4:221262:223958,CCN1CCN(C(=O)c2ccc(-c3ccc(Cn4c(=O)c5c(nc6n(CCOC)c(C)cn56)n(C)c4=O)cc3)cc2F)CC1,OJGSQANVSOQVDQ-UHFFFAOYSA-N
-rxn:4:221335:223635,CN(C)c1nc(N(C)C)n(Cc2ccc(-c3ccc(C4CCN(C(=O)OC(C)(C)C)CC4)cc3)cc2)n1,CCJRLPRZEORPNM-UHFFFAOYSA-N
-rxn:4:221360:224391,Cc1cc(S(=O)(=O)N2CCOCC2)ccc1-c1cnc(OC2CCCN(S(=O)(=O)c3cn(C)cn3)C2)nc1,LQXUERRXZQYPNO-UHFFFAOYSA-N
-rxn:4:221368:222514,CCc1cc(N2CCC(Oc3ncc(-c4ccc(OC)c(S(=O)(=O)NC5CCCCC5)c4)cn3)CC2)ncn1,ZYDGXYNHEJXPFK-UHFFFAOYSA-N
-rxn:4:221395:224617,O=c1cc(C2CC2)ncn1CC1CCN(c2ncc(-c3ccc(OCCN4CCCC4)c(Cl)c3)cn2)CC1,YXJSCRMPJIKEAU-UHFFFAOYSA-N
-rxn:4:221413:223179,CONC(=O)c1cc(-c2ccc(C(=O)N3CCN(c4cc(N5CCOCC5)ncn4)CC3)o2)ccc1F,SGDOLNMTGQGSRJ-UHFFFAOYSA-N
-rxn:4:221416:222973,CC(C)(C)NC(=O)c1cccc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCCCC5)nn4)CC3)o2)c1,ZVFDDBCNXOOJEK-UHFFFAOYSA-N
-rxn:4:221420:223179,CONC(=O)c1cc(-c2ccccc2C(=O)N2CCN(c3ccc(N4CCOCC4)nn3)CC2)ccc1F,AJUZQIZBHHAEOE-UHFFFAOYSA-N
-rxn:4:221428:222933,CC(C)(C)OC(=O)Nc1ncc(-c2ccc(CN3CCN(c4ccc(N5CCOCC5)nn4)CC3)cc2)cn1,AVYVLPMZTIPYHW-UHFFFAOYSA-N
-rxn:4:221431:223179,CONC(=O)c1cc(-c2ccccc2C(=O)N2CCN(c3nc(C)cc(N4CCCC4)n3)CC2)ccc1F,DMOICVJVASMBIQ-UHFFFAOYSA-N
-rxn:4:221432:223179,CONC(=O)c1cc(-c2cccc(C(=O)N3CCN(c4nc(C)cc(N5CCCC5)n4)CC3)c2)ccc1F,NPCKTDXJDHRKQZ-UHFFFAOYSA-N
-rxn:4:221433:223929,Cc1cc(N2CCCC2)nc(N2CCN(C(=O)c3ccc(-c4cnc5c(c4)CCN(C(=O)OC(C)(C)C)C5)cc3)CC2)n1,ZDFNBAIWWOTCEW-UHFFFAOYSA-N
-rxn:4:221435:223179,CONC(=O)c1cc(-c2cccc(C(=O)N3CCN(c4ccc(N5CCCCC5)nn4)CC3)c2)ccc1F,JRQHXBXYEVNIFN-UHFFFAOYSA-N
-rxn:4:221438:223076,CC1CCCCN1c1ccc(N2CCN(C(=O)c3ccc(-c4cccc(S(=O)(=O)NC5CC5)c4)o3)CC2)nn1,FTZMAUAKRCIQRK-UHFFFAOYSA-N
-rxn:4:221438:223179,CONC(=O)c1cc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCCCC5C)nn4)CC3)o2)ccc1F,MFTQHQVQUPWVIC-UHFFFAOYSA-N
-rxn:4:221441:226102,Cc1cc(N2CCOCC2)nc(N2CCN(Cc3cccc(-c4ccccc4CN(C)C4CC4)c3)CC2)n1,ISSZEMQVFDBHPD-UHFFFAOYSA-N
-rxn:4:221443:222897,CCCCNS(=O)(=O)c1cccc(-c2cccc(CN3CCN(c4cc(N5CCOCC5)nc(C)n4)CC3)c2)c1,HDXAHIJVDYLWIL-UHFFFAOYSA-N
-rxn:4:221444:226844,Cc1cc(N2CCOCC2)nc(N2CCN(Cc3ccccc3-c3ccnc(C(=O)C(F)(F)F)c3)CC2)n1,QPEWNXCTTBVCDL-UHFFFAOYSA-N
-rxn:4:221445:226719,CCOC(=O)c1cnc(Cl)c(-c2cccc(CN3CCN(c4cc(C)nc(N5CCOCC5)n4)CC3)c2)c1,RYSUIWDPSXNOHU-UHFFFAOYSA-N
-rxn:4:221448:226844,Cc1nc(N2CCOCC2)cc(N2CCN(Cc3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3)CC2)n1,IZZNKYIHEUTRNB-UHFFFAOYSA-N
-rxn:4:221449:223970,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C)c(S(=O)(=O)N5CCC(C)CC5)c4)cc3)CC2)n1,PCLJGOKVZGLTAL-UHFFFAOYSA-N
-rxn:4:221451:223179,CONC(=O)c1cc(-c2ccccc2C(=O)N2CCN(c3nc(C)cc(N4CCCCC4)n3)CC2)ccc1F,FITGQQOVGPBPSF-UHFFFAOYSA-N
-rxn:4:221451:227742,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccccc3-c3ccc(C(F)(F)F)cc3Cl)CC2)n1,ADBOXGSBVUOFMP-UHFFFAOYSA-N
-rxn:4:221539:223179,CONC(=O)c1cc(-c2ccc(Cn3c(CN4CC(C)OC(C)C4)nc4c3c(=O)n(C)c(=O)n4C)cc2)ccc1F,HABSGICUHBETAW-UHFFFAOYSA-N
-rxn:4:221642:223179,CONC(=O)c1cc(-c2cnc(N3CCC(N4CC(=O)N(C5CC5)C4=O)CC3)nc2)ccc1F,PNAICTOWTVPEIO-UHFFFAOYSA-N
-rxn:4:221642:223279,O=C1CN(C2CCN(c3ncc(-c4cnc(C5CCCN5)nc4)cn3)CC2)C(=O)N1C1CC1,CIAUHLPMUKBVQN-UHFFFAOYSA-N
-rxn:4:221642:228693,CCN(C)c1ccc(-c2cnc(N3CCC(N4CC(=O)N(C5CC5)C4=O)CC3)nc2)s1,XAHYVWRHMRNRLF-UHFFFAOYSA-N
-rxn:4:221685:224322,CC1CCN(S(=O)(=O)c2ccc(-c3cncc(C(=O)N4C5CCC4CC(n4nccn4)C5)c3)cc2)CC1,PFDNJMSSHWNCBG-UHFFFAOYSA-N
-rxn:4:221685:224327,CC1CCCN(S(=O)(=O)c2cccc(-c3cncc(C(=O)N4C5CCC4CC(n4nccn4)C5)c3)c2)C1,MHHSUJMEKQBLKG-UHFFFAOYSA-N
-rxn:4:221695:223689,CCN1CCN(S(=O)(=O)c2cc(-c3cnccc3OC3CCN(c4cc(C)nc5ccnn45)C3)ccc2OC)CC1,BAZGFAQOVABUKA-UHFFFAOYSA-N
-rxn:4:221727:222518,CC(C)(C)OC(=O)Nc1nc2c(-c3cncc(C(=O)N4CCN(c5cc6c(nn5)CCCC6)CC4)c3)ccc(F)c2s1,MXFJJCPZRVBWKI-UHFFFAOYSA-N
-rxn:4:221780:223179,CONC(=O)c1cc(-c2ccc(Cn3c(=O)c4c(nc5n4CCCN5C4CCCCC4)n(C)c3=O)cc2)ccc1F,UXXAMPRQODWQPN-UHFFFAOYSA-N
-rxn:4:221780:226844,Cn1c(=O)n(Cc2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2)c(=O)c2c1nc1n2CCCN1C1CCCCC1,UZJGFBFPVWYAIP-UHFFFAOYSA-N
-rxn:4:221832:224391,Cc1cc(S(=O)(=O)N2CCOCC2)ccc1-c1cnc(N2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)nc1,NHFDDKQJMBJYJK-UHFFFAOYSA-N
-rxn:4:221925:226844,CCOc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccccc5-c5ccnc(C(=O)C(F)(F)F)c5)no4)C3C2=O)cc1,SODPDUKKEBGTHP-UHFFFAOYSA-N
-rxn:4:221980:225978,CC(C)(C)OC(=O)N1CCN(c2cc(=O)n3nc(-c4cncc(-c5ccc(N6CCOCC6)nc5F)c4)sc3n2)CC1,NVGMMPDFMYURJO-UHFFFAOYSA-N
-rxn:4:222056:222970,CC(C)CNC(=O)c1ccccc1-c1cnc(N2CCN(c3cc(C(C)(C)C)nc(C4CC4)n3)CC2)nc1,QZPBIICWRLGJGU-UHFFFAOYSA-N
-rxn:4:222062:223179,CONC(=O)c1cc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCN(C)CC5)n4)CC3)cc2)ccc1F,FUDMVXOKNDLPRX-UHFFFAOYSA-N
-rxn:4:222075:223689,CCN1CCN(S(=O)(=O)c2cc(-c3cnn(CC4CN(c5nccn6nc(C7CC7)cc56)C4)c3)ccc2OC)CC1,GWAZJZUFDZFSRO-UHFFFAOYSA-N
-rxn:4:222089:222896,CC(C)(C)OC(=O)NCc1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)s1,FHMPTBQNRYMGBS-UHFFFAOYSA-N
-rxn:4:222108:222817,COc1ccc(S(=O)(=O)NC2CC2)cc1-c1ccc(-c2noc(CN3N=NC4C(=O)N(c5ccc(C)c(F)c5)C(=O)C43)n2)cc1,FKRMFFGIJYKXPQ-UHFFFAOYSA-N
-rxn:4:222113:223812,CC1CN(C(=O)Cn2cnc3c(nnn3-c3ccc(-c4cc(F)cc(CN5CCC6(CC5)OCCO6)c4)cc3)c2=O)CC(C)O1,YZSAAPDGJQYZFJ-UHFFFAOYSA-N
-rxn:4:222113:224684,CC1CN(C(=O)Cn2cnc3c(nnn3-c3ccc(-c4ccc(C(=O)N5CCC(=O)CC5)cc4)cc3)c2=O)CC(C)O1,CCTKFFPZTQAKNM-UHFFFAOYSA-N
-rxn:4:222138:223179,CONC(=O)c1cc(-c2ccc(N3CCCn4c3nc3c4c(=O)n(CCN4CCOCC4)c(=O)n3C)cc2)ccc1F,UCKUHSKVSMXQKA-UHFFFAOYSA-N
-rxn:4:222156:222537,Fc1c(C2CC2)ncnc1N1CCN(c2ncc(-c3cc(C4CCCC4)nc(C4CCCNC4)c3)cn2)CC1,SQMOQQFIYALHIP-UHFFFAOYSA-N
-rxn:4:222167:224773,Cc1cc(-c2cnc(N3CCN(c4nc(C5CC5)nc(C)c4C)CC3)nc2)ccc1S(=O)(=O)N1CCCC1,UOQXSTPNINORIV-UHFFFAOYSA-N
-rxn:4:222168:222621,CC(C)Cc1cc(-c2cnc(N3CCN(c4cc(C5CCOCC5)ncn4)CC3)nc2)cc(C2CCCNC2)n1,QBLSUVSIHVZTRY-UHFFFAOYSA-N
-rxn:4:222332:222948,OC1CCN(c2ncc(-c3cnc(N4CCN(c5cc(N6CCOCC6)ncn5)CC4)nc3)c(Cl)n2)CC1,WISDIOKPMHCPHL-UHFFFAOYSA-N
-rxn:4:222334:222839,Cc1cc(N2CCCC2)nc(N2CCN(c3ncc(-c4ccc(NCC5CCCCC5)nc4)cn3)CC2)n1,DXLFTGORWAWUJJ-UHFFFAOYSA-N
-rxn:4:222335:222741,Cc1cc(N2CCN(c3ncc(-c4cc(C5CC5)nc(C5CCCNC5)c4)cn3)CC2)nc(N2CCCC2)n1,NCDYYFOXLAHVFU-UHFFFAOYSA-N
-rxn:4:222339:226844,Cc1nc(N2CCN(C)CC2)cc(N2CCN(c3cncc(-c4ccnc(C(=O)C(F)(F)F)c4)c3)CC2)n1,ILEPWXFTIDSWJL-UHFFFAOYSA-N
-rxn:4:222389:206997,c1c(-c2cc(C3CCCCC3)nc(C3CC3)n2)cc(C2CCNCC2)nc1C1CCNCC1,MCMZJBRQXPNYQI-UHFFFAOYSA-N
-rxn:4:222389:207959,Cc1ccc(C2=NN3C(C2)c2cc(-c4cc(C5CCNCC5)nc(C5CCNCC5)c4)ccc2OC3C2CCCCC2)cc1,RSXLAHGQQOJUAL-UHFFFAOYSA-N
-rxn:4:222523:204476,CC(C)(C)NS(=O)(=O)c1ccc(-c2nn(C(=O)OC(C)(C)C)c3ccc(F)cc23)c(C(F)(F)F)c1,WSMGXRWMMOHLPZ-UHFFFAOYSA-N
-rxn:4:222802:174526,Cc1ccc(-c2ccc(O[Si](C(C)C)(C(C)C)C(C)C)c(Cl)c2C)c(S(=O)(=O)NC(C)(C)C)c1,USXRSMIZQKSAGL-UHFFFAOYSA-N
-rxn:4:222821:187417,CC(C)(C)NS(=O)(=O)c1cc(-c2ccccc2C2CCN(C(=O)OC(C)(C)C)C2)ccc1F,JSJHUQGNCAZAOT-UHFFFAOYSA-N
-rxn:4:222821:194645,CC(C)(C)NS(=O)(=O)c1cc(-c2ccc3c(c2)C(=NS(=O)C(C)(C)C)CCO3)ccc1F,WAQUZYWWFVLZLH-UHFFFAOYSA-N
-rxn:4:222851:194750,CCc1cc(-c2ccccc2S(=O)(=O)N2C3CCC2CC(=C2CC2)C3)cc(C2CCNCC2)n1,QWYZDRSAFJXEPB-UHFFFAOYSA-N
-rxn:4:222910:187418,CCCNS(=O)(=O)c1ccc(-c2cccc(C3CCN(C(=O)OC(C)(C)C)C3)c2)c(C)c1,URQGTPBKTICYFF-UHFFFAOYSA-N
-rxn:4:222910:187438,CCCNS(=O)(=O)c1ccc(-c2cc(C)cc(C3CN(C(=O)OC(C)(C)C)C3)c2)c(C)c1,AEKRVUAETUJMBZ-UHFFFAOYSA-N
-rxn:4:223082:185105,CNS(=O)(=O)c1c(C)cc(-c2ccccc2C(=O)N2CC(S(=O)(=O)CC(C)C)C2)cc1C,DSUAMXFDNNRAHQ-UHFFFAOYSA-N
-rxn:4:223093:184093,CC(C)c1ccc(CN(C(=O)c2ccc(-c3cncc(NS(=O)(=O)C(C)C)c3)cc2)C2CCS(=O)(=O)C2)cc1,SRBZCOUUTFTOLF-UHFFFAOYSA-N
-rxn:4:223179:204719,CCN1C(=O)C(=C2SC(=S)N(Cc3ccco3)C2=O)c2cc(-c3ccc(F)c(C(=O)NOC)c3)ccc21,XLILIPWFCAWZLT-UHFFFAOYSA-N
-rxn:4:223541:205178,COc1c(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC3(CC2)OCCO3)ccnc1[N+](=O)[O-],SAUIQWFCZCPHBW-UHFFFAOYSA-N
-rxn:4:223580:186768,CCN(C(=O)c1ccc(-c2cc3cc(C(=O)OC)ccc3n2C(=O)OC(C)(C)C)c(Cl)c1)C(C)C,FLAHBRHQOVAKHF-UHFFFAOYSA-N
-rxn:4:223920:197974,CN(C(=O)c1ccc(-c2cccc3c2CCCC3N2CCCCC2)c(Cl)c1)C1CCCCC1,QZCBFJHDIXMNQQ-UHFFFAOYSA-N
-rxn:4:223940:184224,Cc1ccc(C(=O)C(C)OC(=O)c2cc(-c3ccccc3)nc3c(C)cc(-c4ccc5c(c4)OCCN5C(=O)OC(C)(C)C)cc23)cc1,AOOGXUBQIBHUPC-UHFFFAOYSA-N
-rxn:5:177184:223065:226429,CCOC(=O)c1c(-c2ccc(N3CCCC(C)C3)s2)ccc(C)c1-c1ccc(N2CCNCC2)cc1F,UPDWALVHEIRNJG-UHFFFAOYSA-N
-rxn:5:177184:225639:225833,CCOC(=O)c1c(-c2ccnc(N3CCCCC3)c2F)ccc(C)c1-c1cccnc1N1CCC(C)CC1,KYGSZRQFSPEZOU-UHFFFAOYSA-N
-rxn:5:177185:223061:225784,CC(C)OC(=O)c1cc(-c2cc(C3CCNCC3)ncc2F)ccc1-c1ccc(CN2CCOCC2)nc1,IIZMJSVPXPPORX-UHFFFAOYSA-N
-rxn:5:177186:223063:225631,CCOC(=O)c1cc(-c2ccc(N3CCN(C)CC3)cc2)c(-c2cc(F)nc(C3CCNCC3)c2)cc1C,MVNGTKNFTORKKQ-UHFFFAOYSA-N
-rxn:5:177190:223054:225684,CCS(=O)(=O)Cc1ccc(-c2ccc(C3CCOCC3)nc2C)c(-c2ccc(C(C)N3CCC(O)C3)s2)c1,JEHNLCYRXRPYJK-UHFFFAOYSA-N
-rxn:5:177190:223135:223054,CCS(=O)(=O)Cc1ccc(-c2ccc(C(C)N3CCC(O)C3)s2)c(-c2cccnc2C2CCCNC2)c1,KZDHXODDXCRSBI-UHFFFAOYSA-N
-rxn:5:177190:225440:225455,CCS(=O)(=O)Cc1ccc(-c2cc(N3CCCCC3)ccc2C)c(-c2ccc(C3(C#N)CCCC3)cc2)c1,JAWPDEJTFQMYHA-UHFFFAOYSA-N
-rxn:5:177373:222985:226734,Cc1nc(C2CCCNC2)ccc1-c1cc(-c2cccc(S(=O)(=O)N(C)C)c2)ccc1OCC1OCCO1,PFAVXSFOHAPEMP-UHFFFAOYSA-N
-rxn:5:177731:222980:223064,CC(C)(C)OC(=O)c1ccc(-c2ccc(C3CCNCC3)nc2F)cc1-c1ccc(CN2CCNCC2)cc1,QZMZVZHZBVIVHJ-UHFFFAOYSA-N
-rxn:5:177732:226663:225833,CC(C)(C)OC(=O)c1ccc(-c2ccc(N3CCSCC3)nc2)c(-c2ccnc(N3CCCCC3)c2F)c1,YITDRRFCZRXZKB-UHFFFAOYSA-N
-rxn:5:177733:225833:226663,CC(C)(C)OC(=O)c1cc(-c2ccc(N3CCSCC3)nc2)cc(-c2ccnc(N3CCCCC3)c2F)c1,IDJHBFXLVNTISL-UHFFFAOYSA-N
-rxn:5:177733:225834:226663,CC(C)(C)OC(=O)c1cc(-c2ccc(N3CCSCC3)nc2)cc(-c2cc(N3CCCCC3)ncc2F)c1,MEDMYJMCYRNNAE-UHFFFAOYSA-N
-rxn:5:177733:226663:225833,CC(C)(C)OC(=O)c1cc(-c2ccc(N3CCSCC3)nc2)cc(-c2ccnc(N3CCCCC3)c2F)c1,IDJHBFXLVNTISL-UHFFFAOYSA-N
-rxn:5:177733:226794:223065,CC(C)(C)OC(=O)c1cc(-c2cnc(N3CCSCC3)nc2)cc(-c2ccc(N3CCNCC3)cc2F)c1,ZOMPHNPJHXCSFS-UHFFFAOYSA-N
-rxn:5:177734:226661:222980,Cc1cc(-c2cc(N3CCN(C)CC3)cs2)c(-c2ccc(CN3CCNCC3)cc2)cc1C(=O)OC(C)C,RXSLZSREDYDWHV-UHFFFAOYSA-N
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-rxn:5:180421:223139:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(CC2CCCCC2)cc1-c1ccc(C2CCNCC2)nc1,MBZIWUDGJBYEBT-UHFFFAOYSA-N
-rxn:5:180421:225464:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(CC2CCCCC2)cc1-c1cccc(N2CCCC(C)C2)c1,LWFJREVIAGOTRB-UHFFFAOYSA-N
-rxn:5:180422:225499:226464,COc1ccc2c(c1-c1cc(CC3CCCCC3)ccc1-c1ccc(C3CCCCC3)cc1F)OCCO2,NTDLOVCXDYBSBK-UHFFFAOYSA-N
-rxn:5:180422:225832:227438,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(CC2CCCCC2)cc1-c1ccnc(C2CCOC2)c1,BEVZJSQRVHMZRH-UHFFFAOYSA-N
-rxn:5:180422:226176:226686,Cc1cnn(C2CCCCO2)c1-c1cc(CC2CCCCC2)ccc1-c1ccncc1C1CCCCC1,LZWOAUNUALEYAR-UHFFFAOYSA-N
-rxn:5:180422:226645:226686,Cc1cnn(C2CCCCO2)c1-c1cc(CC2CCCCC2)ccc1-c1ccnc(N2CCOCC2)c1,DMCAKARVLCLKQB-UHFFFAOYSA-N
-rxn:5:180506:226062:223287,CNS(=O)(=O)c1ccc(-c2c(-c3cc(C(C)C)cc(C(C)C)c3)cc(C(C)(C)C)cc2C2OCCO2)cc1,APKCFYWXFIFABM-UHFFFAOYSA-N
-rxn:5:180602:226794:225833,COC(=O)C1Cc2cc(-c3ccnc(N4CCCCC4)c3F)cc(-c3cnc(N4CCSCC4)nc3)c2O1,MLTACUGBJUGDEG-UHFFFAOYSA-N
-rxn:5:180602:226794:225849,COC(=O)C1Cc2cc(-c3cnc(N4CCCCC4)cc3F)cc(-c3cnc(N4CCSCC4)nc3)c2O1,FTKKYZNKORWQEO-UHFFFAOYSA-N
-rxn:5:180602:226794:225976,COC(=O)C1Cc2cc(-c3ccnc(N4CCOCC4)c3F)cc(-c3cnc(N4CCSCC4)nc3)c2O1,LSUPFFAECUGBNW-UHFFFAOYSA-N
-rxn:5:180662:222957:227505,COC(=O)C1=Cc2cc(-c3ccc(/C=C/[N+](=O)[O-])cc3)cc(-c3cc(C)cc(C4CCCNC4)c3)c2OC1,FMEFXNJJMHKMPN-PKNBQFBNSA-N
-rxn:5:180662:223202:222980,COC(=O)C1=Cc2cc(-c3ccc(CN4CCNCC4)cc3)cc(-c3ccc(C4(O)CCC4)cc3)c2OC1,ONYVTSUIGQYPRS-UHFFFAOYSA-N
-rxn:5:180662:225976:226794,COC(=O)C1=Cc2cc(-c3cnc(N4CCSCC4)nc3)cc(-c3ccnc(N4CCOCC4)c3F)c2OC1,DSLLEFWVYZIDCW-UHFFFAOYSA-N
-rxn:5:180662:225978:227495,CCN(C)c1cc(-c2cc3c(c(-c4ccc(N5CCOCC5)nc4F)c2)OCC(C(=O)OC)=C3)c(F)cn1,BBQIUWUPZZKWNC-UHFFFAOYSA-N
-rxn:5:180662:225980:226794,COC(=O)C1=Cc2cc(-c3cnc(N4CCSCC4)nc3)cc(-c3cc(N4CCOCC4)ncc3F)c2OC1,KGKXGGFZNXBUDM-UHFFFAOYSA-N
-rxn:5:180662:225982:226794,COC(=O)C1=Cc2cc(-c3cnc(N4CCSCC4)nc3)cc(-c3cnc(N4CCOCC4)cc3F)c2OC1,RZGTVDUPGICOKT-UHFFFAOYSA-N
-rxn:5:180662:226395:223065,COC(=O)C1=Cc2cc(-c3ccc(N4CCNCC4)cc3F)cc(-c3cncc(N4CCCCC4)c3)c2OC1,LNBFZEYLSHAWEK-UHFFFAOYSA-N
-rxn:5:180662:226664:223294,COC(=O)C1=Cc2cc(-c3csc(N4CCNCC4)n3)cc(-c3cc(N4CCCC4)ncc3F)c2OC1,MSLNMWNLONKASY-UHFFFAOYSA-N
-rxn:5:180662:226664:226794,COC(=O)C1=Cc2cc(-c3cnc(N4CCSCC4)nc3)cc(-c3cc(N4CCCC4)ncc3F)c2OC1,NMXUVZKPMPSBGL-UHFFFAOYSA-N
-rxn:5:180662:226679:226794,COC(=O)C1=Cc2cc(-c3cnc(N4CCSCC4)nc3)cc(-c3cnc(N4CCCC4)cc3F)c2OC1,FIUPMCCDSCQDFX-UHFFFAOYSA-N
-rxn:5:180662:226794:223065,COC(=O)C1=Cc2cc(-c3ccc(N4CCNCC4)cc3F)cc(-c3cnc(N4CCSCC4)nc3)c2OC1,KBNIHZULNPNNJJ-UHFFFAOYSA-N
-rxn:5:180662:226794:225976,COC(=O)C1=Cc2cc(-c3ccnc(N4CCOCC4)c3F)cc(-c3cnc(N4CCSCC4)nc3)c2OC1,OYNULSNORFUPPP-UHFFFAOYSA-N
-rxn:5:180662:226794:225980,COC(=O)C1=Cc2cc(-c3cc(N4CCOCC4)ncc3F)cc(-c3cnc(N4CCSCC4)nc3)c2OC1,YQKODHLNTHBTQJ-UHFFFAOYSA-N
-rxn:5:180662:226794:225982,COC(=O)C1=Cc2cc(-c3cnc(N4CCOCC4)cc3F)cc(-c3cnc(N4CCSCC4)nc3)c2OC1,SJAOMVLSCVSUGN-UHFFFAOYSA-N
-rxn:5:181624:222956:225832,Cc1ccc(-c2ccc(C3OCCO3)c(-c3c(C)nn(C4CCCCO4)c3C)c2)c(C2CCCNC2)c1,LDGHYDMPHYNYID-UHFFFAOYSA-N
-rxn:5:181626:225832:223056,Cc1nn(C2CCCCO2)c(C)c1-c1cccc(-c2ccc(N3CCC(O)CC3)nc2)c1C1OCCO1,SFUBHDNJCAODDS-UHFFFAOYSA-N
-rxn:5:181905:225438:225639,Cc1ccc(-c2cccnc2N2CCC(C)CC2)c(C2OCCO2)c1-c1ccc(C(C)N2CCCC2)cc1,MIOOSYSLOKJSAB-UHFFFAOYSA-N
-rxn:5:181905:225439:225652,Cc1ccc(-c2cncc(N3CCCC(C)C3)c2)c(C2OCCO2)c1-c1cccc(C(C)N2CCCC2)c1,POZXFZXLWFHICI-UHFFFAOYSA-N
-rxn:5:181905:225470:225636,Cc1ccc(-c2ccnc(N3CCC(C)CC3)c2)c(C2OCCO2)c1-c1ccc(N2CCC(C)CC2)cc1,NLSLVAUIICKZOL-UHFFFAOYSA-N
-rxn:5:181905:225639:225832,Cc1ccc(-c2c(C)nn(C3CCCCO3)c2C)c(C2OCCO2)c1-c1cccnc1N1CCC(C)CC1,HJXSULVTQYKCDJ-UHFFFAOYSA-N
-rxn:5:181906:225436:225466,Cc1ccc(-c2ccc(CN3CCCCC3)cc2)c(C2OCCO2)c1-c1ccc(N2CCCCC2C)cc1,QBQYNIFNLGYOAN-UHFFFAOYSA-N
-rxn:5:181906:225439:225514,Cc1ccc(-c2cccc(C(C)N3CCCC3)c2)c(C2OCCO2)c1-c1cccc2c1OCC1(CC1)CO2,XJAUBUSSWMZWMD-UHFFFAOYSA-N
-rxn:5:181906:225451:225466,Cc1ccc(-c2ccc(SC3CCCCC3)cc2)c(C2OCCO2)c1-c1ccc(N2CCCCC2C)cc1,RRSMTFONIYKZMX-UHFFFAOYSA-N
-rxn:5:181906:225451:225652,Cc1ccc(-c2ccc(SC3CCCCC3)cc2)c(C2OCCO2)c1-c1cncc(N2CCCC(C)C2)c1,KBSVISUMKMKLOD-UHFFFAOYSA-N
-rxn:5:181906:225607:223142,Cc1ccc(-c2ccc(C(C)N3CCCCC3)s2)c(C2OCCO2)c1-c1ccc(C2CCCNC2)nc1,JACBLFYRVKNGLJ-UHFFFAOYSA-N
-rxn:5:181907:222994:226686,Cc1cc(-c2cccc(N3CCC(O)CC3)c2)c(-c2c(C)cnn2C2CCCCO2)c(C2OCCO2)c1,LDWKFQQJBIUXIR-UHFFFAOYSA-N
-rxn:5:181907:222996:226428,Cc1cc(-c2ccc(F)cc2C2CCCNC2)c(-c2cc(N3CCCCC3C)cs2)c(C2OCCO2)c1,RZVDRPHHAIAGRM-UHFFFAOYSA-N
-rxn:5:181907:225439:225607,Cc1cc(-c2cccc(C(C)N3CCCC3)c2)c(-c2ccc(C(C)N3CCCCC3)s2)c(C2OCCO2)c1,BDHDBPURZMCVGU-UHFFFAOYSA-N
-rxn:5:181907:225470:226652,Cc1cc(-c2ccc(N3CCC(C)CC3)cc2)c(-c2cc(C)nn2C2CCCCO2)c(C2OCCO2)c1,FZGUUVDVGYLWIL-UHFFFAOYSA-N
-rxn:5:181907:225514:222985,Cc1cc(-c2cccc3c2OCC2(CC2)CO3)c(-c2ccc(C3CCCNC3)nc2C)c(C2OCCO2)c1,VVACPELJZMDCIZ-UHFFFAOYSA-N
-rxn:5:181907:225636:222958,Cc1cc(-c2ccnc(N3CCC(C)CC3)c2)c(-c2ccc(C)c(C3CCNCC3)c2)c(C2OCCO2)c1,NHXARMQOYGHCRU-UHFFFAOYSA-N
-rxn:5:181907:226330:225407,Cc1cc(-c2ccc(C(C)N3CCCC3)s2)c(-c2ccc(C3CCCCCC3)cc2)c(C2OCCO2)c1,GFQGYHKAGYMXIF-UHFFFAOYSA-N
-rxn:5:181907:226686:225684,Cc1cc(-c2c(C)cnn2C2CCCCO2)c(-c2ccc(C3CCOCC3)nc2C)c(C2OCCO2)c1,ZAPNASAECPBWHA-UHFFFAOYSA-N
-rxn:5:181908:222986:222957,Cc1cc(-c2cc(C3OCCO3)c(C)cc2-c2cc(C)nc(C3CCCNC3)c2)cc(C2CCCNC2)c1,FCEXLEMUEHAAQA-UHFFFAOYSA-N
-rxn:5:181908:222989:225438,Cc1cc(N2CCNCC2)ccc1-c1cc(C)c(C2OCCO2)cc1-c1ccc(C(C)N2CCCC2)cc1,PHHFIYGNURWWNU-UHFFFAOYSA-N
-rxn:5:181908:222994:225638,Cc1cc(-c2cccc(N3CCC(O)CC3)c2)c(-c2ccc(N3CCC(C)CC3)nc2)cc1C1OCCO1,HRFIQXRALSDGDT-UHFFFAOYSA-N
-rxn:5:181908:222998:225881,Cc1cc(-c2cc(F)cc(C3CCCNC3)c2)c(-c2ccc(C3CCOCC3)nc2F)cc1C1OCCO1,XDTPTSCDIVULPB-UHFFFAOYSA-N
-rxn:5:181908:225407:225677,Cc1cc(-c2ccc(C3CCCCCC3)cc2)c(-c2ccc(C3CCCCC3)nc2F)cc1C1OCCO1,KGPGTBHFDYVRFX-UHFFFAOYSA-N
-rxn:5:181908:225451:225652,Cc1cc(-c2ccc(SC3CCCCC3)cc2)c(-c2cncc(N3CCCC(C)C3)c2)cc1C1OCCO1,WMPZIFHTWZMZNT-UHFFFAOYSA-N
-rxn:5:181908:225589:222957,Cc1cc(-c2cc(C3OCCO3)c(C)cc2-c2ccc(CN3CCSCC3)cc2)cc(C2CCCNC2)c1,GDCRIJNOYCTZGV-UHFFFAOYSA-N
-rxn:5:181908:225633:225466,Cc1cc(-c2ccc(N3CCCCCC3)nc2)c(-c2ccc(N3CCCCC3C)cc2)cc1C1OCCO1,ARGMCYRQOGWCQL-UHFFFAOYSA-N
-rxn:5:181908:225652:222960,Cc1cc(-c2cc(C3OCCO3)c(C)cc2-c2cncc(N3CCCC(C)C3)c2)cc(C2CCNCC2)c1,ZMSFCSVIIPIWGB-UHFFFAOYSA-N
-rxn:5:181908:225832:223136,Cc1cc(-c2c(C)nn(C3CCCCO3)c2C)c(-c2ccncc2C2CCCNC2)cc1C1OCCO1,REUVJSDYQZERGE-UHFFFAOYSA-N
-rxn:5:182012:223294:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2csc(N3CCNCC3)n2)cc1C1CCCOC1,MSKXFWWNNPQPEA-UHFFFAOYSA-N
-rxn:5:183228:225498:225453,CC1(C)CCc2cc(-c3cc(C4CCCCC4)ccc3F)cc(-c3cccc(SC4CCCCC4)c3)c2O1,YUNFRSWLZWSFIM-UHFFFAOYSA-N
-rxn:5:188787:226649:225799,O=[N+]([O-])c1cc(-c2cccnc2N2CCOCC2)c(-c2cncc(OC3CCOCC3)c2)cc1OC1CC1,SPMSWLKHMHKQDT-UHFFFAOYSA-N
-rxn:5:188867:225982:225868,CC(C)OC(=O)c1cc(-c2ccc(N3CCOCC3)c(F)c2)ncc1-c1cnc(N2CCOCC2)cc1F,YWMRYFRERWVBHL-UHFFFAOYSA-N
-rxn:5:188876:222989:222994,CON(C)C(=O)c1cccc(-c2ccc(N3CCNCC3)cc2C)c1-c1cccc(N2CCC(O)CC2)c1,LVOQQPWSWMCACC-UHFFFAOYSA-N
-rxn:5:188930:226177:226374,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccnc(C3CCCCC3)c2)cc1-c1cncnc1C1CCCCC1,KXJTUHXUBZJTGP-UHFFFAOYSA-N
-rxn:5:189001:223065:225978,COC(=O)C1(c2nc(-c3ccc(N4CCOCC4)nc3F)ccc2-c2ccc(N3CCNCC3)cc2F)CC1,HQTKEGKKTKOIPE-UHFFFAOYSA-N
-rxn:5:189001:225879:225976,COC(=O)C1(c2nc(-c3ccnc(N4CCOCC4)c3F)ccc2-c2ccc(N3CCOCC3)cc2F)CC1,UVAPQJOTWMNTMR-UHFFFAOYSA-N
-rxn:5:189001:225976:225879,COC(=O)C1(c2nc(-c3ccc(N4CCOCC4)cc3F)ccc2-c2ccnc(N3CCOCC3)c2F)CC1,XQFZARUAPXGZTE-UHFFFAOYSA-N
-rxn:5:189208:227509:227569,COc1ccc(F)c(OC)c1-c1cc(-c2cnc(F)c(OC(C)C)c2)ccc1C(=O)ON1C(=O)CCC1=O,RUEKHRYBRMYAGQ-UHFFFAOYSA-N
-rxn:5:189212:225640:225465,CC1CCCCN1c1cc(-c2cc(C(=O)ON3C(=O)CCC3=O)ccc2-c2cccc(C3CCN(C)CC3)c2)ccn1,SKMWKBJRIPRNEU-UHFFFAOYSA-N
-rxn:5:189321:225805:226679,CC(c1ccc(-c2ccc(-c3cnc(N4CCCC4)cc3F)c(C(=O)OC(C)(C)C)n2)s1)N1CCOCC1,SPIAWKKGHZNHBU-UHFFFAOYSA-N
-rxn:5:189448:225453:227054,COc1cc(-c2cc(C(=O)N3CC(OC)C3)ccc2-c2cccc(SC3CCCCC3)c2)ccc1C1CC1,IQSHEQWTTHERQI-UHFFFAOYSA-N
-rxn:5:189448:226663:226664,COC1CN(C(=O)c2ccc(-c3ccc(N4CCSCC4)nc3)c(-c3cc(N4CCCC4)ncc3F)c2)C1,XPHRWMUBPOIWMG-UHFFFAOYSA-N
-rxn:5:189448:226794:226593,COC1CN(C(=O)c2ccc(-c3cnc(N4CCSCC4)nc3)c(-c3c(F)ccc(OC(C)C)c3F)c2)C1,PJXRVYDAPBWWCQ-UHFFFAOYSA-N
-rxn:5:189667:226064:226067,CC(C)(C)[S@](=O)/N=C/c1cc(-c2ccc(C3=CCCCC3)cc2)cc(-c2ccc(C3CCCCC3)cc2)c1,AAUOEJOEWLILQK-AGWVKNLESA-N
-rxn:5:189667:227301:225942,CC(C)c1ncc(-c2cc(/C=N/[S@@](=O)C(C)(C)C)cc(-c3ccc(F)cc3CN(C)C)c2)cc1C(F)(F)F,ILWCCXLIRLNCGN-UISXVXBLSA-N
-rxn:5:189669:225407:227108,CC(C)(C)S(=O)/N=C/c1ccc(-c2ccc(C3CCCCCC3)cc2)c(-c2cc(C3CCC3)ccc2F)c1,HCCMYGVRJTYZIE-GOJREDGKSA-N
-rxn:5:189673:225407:227047,CC(C)(C)S(=O)/N=C/c1ccc(-c2ccc(C3CCCCCC3)cc2)cc1-c1cccc(SC2CCC2)c1,GXMDHFYQOPLDDQ-JWHWKPFMSA-N
-rxn:5:189674:225621:226742,Cc1cc(-c2cc(-c3ccc(C#N)cc3C(F)(F)F)ccc2/C=N/S(=O)C(C)(C)C)ccc1OC1CCOC1,ANXSBNJVPYQNAW-XJECJHNESA-N
-rxn:5:189675:225407:226191,CC(C)(C)S(=O)/N=C/c1cc(-c2cc(C3CCCC3)ccc2F)ccc1-c1ccc(C2CCCCCC2)cc1,HRPGNLBOVYADPP-HWLOXFRGSA-N
-rxn:5:189676:225886:225607,CC(c1ccc(-c2ccc(CC(=O)N3CCCC3)cc2-c2ccc3c(ccn3S(C)(=O)=O)c2)s1)N1CCCCC1,FCCLHWAEXWSUHI-UHFFFAOYSA-N
-rxn:5:189829:225943:226341,COc1cc(F)c(C(C)C)cc1-c1cc(C(=O)N2CCCC2)cc(-c2ccc(C(=O)N3CCOCC3)s2)c1OC,INSSWYVVSBLHHW-UHFFFAOYSA-N
-rxn:5:189909:225976:227020,Fc1c(-c2ccc(-c3cncc(C#CC4CC4)c3)cc2CCN2CCOCC2)ccnc1N1CCOCC1,XUVVLZYNEUBMQD-UHFFFAOYSA-N
-rxn:5:189952:227387:223061,COc1c(-c2ccnc(N3CCCC3)c2)cc(C(=O)N2CCOCC2)cc1-c1cc(C2CCNCC2)ncc1F,XHFRJJBPUMMUIY-UHFFFAOYSA-N
-rxn:5:190000:223189:226914,Cc1cc(CC(C)C)ccc1-c1ccc(CC(=O)N2CCCCC2)c(-c2ccc(NS(C)(=O)=O)cc2F)c1,AVVYWRCJIGNMEU-UHFFFAOYSA-N
-rxn:5:190001:225450:227052,CC(C)(C)Sc1ccc(-c2ccc(CC(=O)N3CCCCC3)cc2-c2ccc(C(=O)C3CCCC3)cc2)cc1,AFUPTNFBMZVYMD-UHFFFAOYSA-N
-rxn:5:190001:227052:226060,CC(C)(C)Sc1ccc(-c2cc(CC(=O)N3CCCCC3)ccc2-c2cc(C3CC3)cc(C3CC3)c2)cc1,AVEBHWNUZLIRCC-UHFFFAOYSA-N
-rxn:5:190127:225980:225834,COC1CCN(C(=O)c2cc(-c3cc(N4CCOCC4)ncc3F)ccc2-c2cc(N3CCCCC3)ncc2F)CC1,JTCWEXQAHNRCSR-UHFFFAOYSA-N
-rxn:5:190127:225988:226827,COC1CCN(C(=O)c2cc(-c3c(F)cc(C4OCCO4)cc3F)ccc2-c2ccc(C(F)(F)F)c(C)c2F)CC1,POJCVZGWRMXXEZ-UHFFFAOYSA-N
-rxn:5:190127:227999:226027,COC1CCN(C(=O)c2cc(-c3ccc(C(C)C)cc3F)ccc2-c2ccc(F)c(S(=O)(=O)N(C)C)c2)CC1,WCEBRWHQSSZQPJ-UHFFFAOYSA-N
-rxn:5:190128:226146:227073,COc1cc(-c2cc(C(=O)N3CCC(OC)CC3)ccc2-c2ccc(SC3CCCC3)cc2)cc(C2CC2)c1,SDWRKQJAWZEWRX-UHFFFAOYSA-N
-rxn:5:190128:226762:226839,COC1CCN(C(=O)c2ccc(-c3cc(SC)cc(C(F)(F)F)c3)c(-c3cc(C(F)(F)F)ncc3C#N)c2)CC1,LHEOPFQPEHPAET-UHFFFAOYSA-N
-rxn:5:190128:228149:226333,COC(=O)c1ccccc1-c1ccc(C(=O)N2CCC(OC)CC2)cc1-c1cccc(C(=O)N2CCC2)c1,IIOMXLGHMJRMAL-UHFFFAOYSA-N
-rxn:5:190128:228292:226731,COC1CCN(C(=O)c2ccc(-c3ccnc4c3OCCO4)c(-c3ccccc3S(=O)(=O)N(C)C)c2)CC1,CTDHKGIBGVCWGL-UHFFFAOYSA-N
-rxn:5:190131:225453:228789,COc1cc(F)ccc1-c1cc(C(=O)N2CCCCC2)cc(-c2cccc(SC3CCCCC3)c2)c1OC,DRULWEPZZSCASX-UHFFFAOYSA-N
-rxn:5:190131:226064:227935,CCc1cc(-c2cc(C(=O)N3CCCCC3)cc(-c3ccc(C4CCCCC4)cc3)c2OC)ccc1OC,ALOJGLVYZBHNSS-UHFFFAOYSA-N
-rxn:5:190131:226069:227917,CCc1ccc(OC)c(-c2cc(C(=O)N3CCCCC3)cc(-c3cccc(C4CCCCC4)c3)c2OC)c1,LOBMJOVQOHABRG-UHFFFAOYSA-N
-rxn:5:190131:226572:228322,CCOc1ncc(-c2cc(C(=O)N3CCCCC3)cc(-c3cnc(OC4CCCC4)nc3)c2OC)cc1F,IXQSTJPHSZKJNP-UHFFFAOYSA-N
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-rxn:5:190131:228190:225588,COc1c(-c2cnc(N(C)C)cc2C)cc(C(=O)N2CCCCC2)cc1-c1ccccc1CN1CCSCC1,KDZCOYORJYCSMX-UHFFFAOYSA-N
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-rxn:5:190197:223141:227376,CN(Cc1ccc(-c2cncc(N3CCCC3)c2)cc1-c1cncc(C2CCNCC2)c1)C1CCOCC1,KXBMNZLOEZQVDA-UHFFFAOYSA-N
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-rxn:5:190740:225834:222995,CCOC(=O)c1cnc2c(C)cc(-c3cc(N4CCCCC4)ncc3F)cc2c1-c1cccc(N2CCCC(O)C2)c1,ZGOWIVZAHNXQFT-UHFFFAOYSA-N
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-rxn:5:190742:223056:225833,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(N4CCC(O)CC4)nc3)c2c1-c1ccnc(N2CCCCC2)c1F,VVTKVXMDANADSH-UHFFFAOYSA-N
-rxn:5:190742:223065:225598,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(N4CCNCC4)cc3F)c2c1-c1cccc(CN2CCSCC2)c1,PUYUGBSTDXSTHB-UHFFFAOYSA-N
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-rxn:5:190742:225881:225849,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(C4CCOCC4)nc3F)c2c1-c1cnc(N2CCCCC2)cc1F,RQAJULYFSLPFBD-UHFFFAOYSA-N
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-rxn:5:190742:226654:225590,CCOC(=O)c1cnc2c(C)ccc(-c3csc(N4CCC(C)CC4)n3)c2c1-c1ccc(CN2CCCC2)c(F)c1,SXIHGZOBTRZVBS-UHFFFAOYSA-N
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-rxn:5:190744:226654:225833,CCOC(=O)c1cnc2c(-c3csc(N4CCC(C)CC4)n3)c(C)ccc2c1-c1ccnc(N2CCCCC2)c1F,HGNNUKMNGHEAPF-UHFFFAOYSA-N
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-rxn:5:191049:228555:225407,COCc1ccccc1-c1ccc2c(c1)CN(c1cc(OC)c(-c3ccc(C4CCCCCC4)cc3)cc1OC)C(=O)CO2,SSFUBYIWKSEMDA-UHFFFAOYSA-N
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-rxn:5:193337:226686:226374,Cc1cnn(C2CCCCO2)c1-c1ccc(-c2cncnc2C2CCCCC2)c(CN2CCOCC2)c1,KVUVVYVGSDFZLS-UHFFFAOYSA-N
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-rxn:5:193382:223200:223008,O=S(=O)(c1ccc(-c2ccc(C3CCNC3)cc2)cc1-c1cc(C2CCNCC2)ccc1F)N1CCOCC1,GZCAISHHWYWXFV-UHFFFAOYSA-N
-rxn:5:193382:223240:223064,O=S(=O)(c1ccc(-c2ccc(C3CCNC3)nc2)cc1-c1ccc(C2CCNCC2)nc1F)N1CCOCC1,RIBPGCITQSKLDE-UHFFFAOYSA-N
-rxn:5:193382:223285:223146,CS(=O)(=O)Nc1ccccc1-c1ccc(S(=O)(=O)N2CCOCC2)c(-c2cccc(C3CNCCO3)c2)c1,IMOWXNNTHDPFIC-UHFFFAOYSA-N
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-rxn:5:193382:225943:223242,O=C(c1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3ccnc(C4CCNC4)c3)c2)s1)N1CCOCC1,KTRASLIZDMRFJC-UHFFFAOYSA-N
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-rxn:5:193382:227438:222996,O=S(=O)(c1ccc(-c2ccnc(C3CCOC3)c2)cc1-c1ccc(F)cc1C1CCCNC1)N1CCOCC1,BUHOHNMEKJLCEU-UHFFFAOYSA-N
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-rxn:5:193749:227718:226424,CC1CCCN(c2csc(-c3ccc(-c4ccc(OC(F)F)cc4F)cc3C(=O)N3CCCCC3C)c2)C1,ZSQILGSUAVJSAG-UHFFFAOYSA-N
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-rxn:5:193754:225886:225461,Cc1cc(N2CCCCC2)ccc1-c1c(C(=O)N2CCC(C)CC2)cccc1-c1ccc2c(ccn2S(C)(=O)=O)c1,GZDNMRFOKKIUSU-UHFFFAOYSA-N
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-rxn:5:193756:225656:225656,CC1CCCCN1C(=O)c1ccc(-c2cncc(N3CCCCC3C)c2)cc1-c1cncc(N2CCCCC2C)c1,OAWZCEXHXVMDOK-UHFFFAOYSA-N
-rxn:5:193756:225674:226849,COc1nccc(-c2cc(-c3cnc(C4CCCCC4)cc3F)ccc2C(=O)N2CCCCC2C)c1C(F)(F)F,QDWPWYAVIDSDKQ-UHFFFAOYSA-N
-rxn:5:193756:225834:227089,CC1CCCCN1C(=O)c1ccc(-c2cc(N3CCCCC3)ncc2F)cc1-c1ccncc1C1CCCC1,LUXAJZRNJGQXDW-UHFFFAOYSA-N
-rxn:5:193756:226588:225591,CC1CCCCN1C(=O)c1ccc(-c2cc(OC3CCC3)ncc2F)cc1-c1cc(CN2CCCC2)ccc1F,PYGQJPAJUWSPOX-UHFFFAOYSA-N
-rxn:5:193756:226746:227512,CCc1cnc(C(F)(F)F)cc1-c1ccc(C(=O)N2CCCCC2C)c(-c2cc(C(=O)OC)ncc2C)c1,AKOJLYWMIBFDHZ-UHFFFAOYSA-N
-rxn:5:193807:226374:226069,CC1CCN(Cc2cccc(-c3cccc(C4CCCCC4)c3)c2-c2cncnc2C2CCCCC2)CC1,YJIOYCMIQYCCOG-UHFFFAOYSA-N
-rxn:5:193809:227745:226330,CC1CCN(Cc2ccc(-c3ccc(C(F)(F)F)c(F)c3)cc2-c2ccc(C(C)N3CCCC3)s2)CC1,SIAAOBOHHGUBQZ-UHFFFAOYSA-N
-rxn:5:193866:226146:228003,CSc1cc(C)c(-c2cc(C3(N4CCC(=O)CC4)CC3)ccc2-c2ccc(SC3CCCC3)cc2)c(C)c1,HGXIAKHUFDUXMT-UHFFFAOYSA-N
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-rxn:5:193869:223311:223146,Cc1cc(-c2cccc(C3CNC3)c2)c(S(=O)(=O)N2CCCCC2)cc1-c1cccc(C2CNCCO2)c1,TYDDSBKUFFFJFX-UHFFFAOYSA-N
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-rxn:5:193871:223286:227670,CC(F)(F)c1cc(F)cc(-c2ccc(C(=O)N3CCC4(CC3)CC4)cc2-c2cccc(NS(C)(=O)=O)c2)c1,IZAPYQHVWKOJJJ-UHFFFAOYSA-N
-rxn:5:193872:226322:225886,Cc1cc(C(=O)N(C)C)ccc1-c1ccc(C(=O)N2CCC3(CC2)CC3)cc1-c1ccc2c(ccn2S(C)(=O)=O)c1,QYHJNTWBPRGJOE-UHFFFAOYSA-N
-rxn:5:193872:227052:226966,CC(C)(C)Sc1ccc(-c2ccc(C(=O)N3CCC4(CC3)CC4)cc2-c2ccc3c(c2)C(=O)CCC3)cc1,DIJKNVJAVBSUKZ-UHFFFAOYSA-N
-rxn:5:193967:226175:227311,CCC(C)c1cc(F)c(-c2cc(-c3ccc(N4CCCC4)cc3C)ccc2CN2CCC3(CC2)OCCO3)cn1,OHLQOOAAPWIEIE-UHFFFAOYSA-N
-rxn:5:193968:226882:228062,Fc1c(-c2ccc(-c3cncc4c3CCCO4)c(CN3CCC4(CC3)OCCO4)c2)ccc(C(F)(F)F)c1F,PHMMQLAWYRSPOJ-UHFFFAOYSA-N
-rxn:5:193972:225625:227117,Cc1cc(-c2cc(OC3CCCC3)ccc2F)c(S(=O)(=O)N2CCCCCC2)cc1-c1cc(C2CC2)cc(C)c1F,KHASMFVGLXPHKC-UHFFFAOYSA-N
-rxn:5:193972:225805:222420,Cc1cc(-c2ccc(C(C)N3CCOCC3)s2)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccccc1S(N)(=O)=O,DBLBQTRZFQMLGJ-UHFFFAOYSA-N
-rxn:5:193972:226654:229058,Cc1cc(-c2csc(N3CCC(C)CC3)n2)c(S(=O)(=O)N2CCCCCC2)cc1-c1cccnc1C#N,OMAJRXOSTWMEDC-UHFFFAOYSA-N
-rxn:5:193972:226794:228597,Cc1cc(-c2cnc(N3CCSCC3)nc2)c(S(=O)(=O)N2CCCCCC2)cc1-c1c(C)cccc1C#N,NBBWWPKXWIDUJX-UHFFFAOYSA-N
-rxn:5:193972:226920:225886,Cc1cc(-c2cc(C(C)(C)C)ccc2C)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc2c(ccn2S(C)(=O)=O)c1,PBDTXZDOPJXBQE-UHFFFAOYSA-N
-rxn:5:193972:227718:226968,Cc1cc(-c2ccc(OC(F)F)cc2F)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc2c(c1)OC(C)(C)C2,MKTYNLQIBREALR-UHFFFAOYSA-N
-rxn:5:193972:227808:226062,Cc1cc(-c2ccc3c(c2)CCCC3)c(S(=O)(=O)N2CCCCCC2)cc1-c1cc(C(C)C)cc(C(C)C)c1,YGYRSWVLUSEFLW-UHFFFAOYSA-N
-rxn:5:193972:227891:227346,CCCc1cc(F)c(-c2cc(S(=O)(=O)N3CCCCCC3)c(-c3ccccc3CN(C)C)cc2C)c(F)c1,GVUDHZJQMLTWJA-UHFFFAOYSA-N
-rxn:5:193972:228811:226085,CSc1ccc(F)c(-c2cc(C)c(-c3ccc4c(c3)CCC(C)(C)O4)cc2S(=O)(=O)N2CCCCCC2)c1,VRBMACHWZQNXRU-UHFFFAOYSA-N
-rxn:5:194058:225805:223062,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2cnc(C3CCNCC3)cc2F)s1)N1CCOCC1,BYHHBJIEOMWRJB-UHFFFAOYSA-M
-rxn:5:194767:223006:227316,CC(C)Cc1cc(-c2ccc(-c3ccc(F)c(C4CCNCC4)c3)cc2C(=O)N2CCCC3(C2)OC(=O)c2ccccc23)cc(F)n1,LMDFRTQTZVSPLQ-UHFFFAOYSA-N
-rxn:5:194782:226576:228235,CC(C)c1c(-c2ccc(-c3ccc(F)c(C(=O)N(C)C)c3)cc2C(=O)N2CCC3(CC2)CC(=O)c2ccccc2O3)ccnc1F,JHWHHPNHQKEMHG-UHFFFAOYSA-N
-rxn:5:194791:226980:227363,CC(C)Oc1c(F)cccc1-c1ccc(C2OC3(C(=O)c4ccccc4C3=O)C3C(=O)N(c4ccccc4-c4cccc5c4C(=O)CCC5)C(=O)C23)cc1,DLGPCJQNGONAKS-UHFFFAOYSA-N
-rxn:5:194792:226064:227554,COC(=O)c1c(F)cccc1-c1ccc(N2C(=O)C3C(c4ccc(-c5ccc(C6CCCCC6)cc5)cc4)OC4(C(=O)c5ccccc5C4=O)C3C2=O)cc1,CUZRFJXCRARUJW-UHFFFAOYSA-N
-rxn:5:194792:228977:226857,O=C1C2C(c3ccc(-c4ccc5c(c4)CC5)cc3)OC3(C(=O)c4ccccc4C3=O)C2C(=O)N1c1ccc(-c2cc(OC(F)(F)F)ccc2F)cc1,AOWWEHRZDHUIIL-UHFFFAOYSA-N
-rxn:5:196408:225832:226665,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2cnc(C3CCCOC3)nc2)ccc1C1=NOCCO1,OUGMPYPLFXNZAB-UHFFFAOYSA-N
-rxn:5:196667:222996:225832,Cc1nn(C2CCCCO2)c(C)c1-c1nccc(C2CCCC2)c1-c1ccc(F)cc1C1CCCNC1,SOKZDCUJKYBPMB-UHFFFAOYSA-N
-rxn:5:196789:223065:223065,O=C1COCCN1c1ccc(-c2ccc(N3CCNCC3)cc2F)cc1-c1ccc(N2CCNCC2)cc1F,RHVWNAQFZUZOEI-UHFFFAOYSA-N
-rxn:5:196794:226664:225982,O=C1COCCN1c1cc(-c2cc(N3CCCC3)ncc2F)ccc1-c1cnc(N2CCOCC2)cc1F,WXUSNRGTNDZNIU-UHFFFAOYSA-N
-rxn:5:196858:222956:225451,Cc1ccc(-c2cnc(C3CCOCC3)cc2-c2ccc(SC3CCCCC3)cc2)c(C2CCCNC2)c1,KFQSFAPMSQBCSN-UHFFFAOYSA-N
-rxn:5:196858:225466:222958,Cc1ccc(-c2cc(C3CCOCC3)ncc2-c2ccc(N3CCCCC3C)cc2)cc1C1CCNCC1,BXTWZFRWBORCMU-UHFFFAOYSA-N
-rxn:5:196859:223006:225881,Fc1ccc(-c2c(C3CCOCC3)ccnc2-c2ccc(C3CCOCC3)nc2F)cc1C1CCNCC1,BJLDSKLRZXAHHM-UHFFFAOYSA-N
-rxn:5:196872:222981:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(N2CCOCC2)c(-c2ccnc(NC3CCCCC3)c2)c1,ZDXHEVANYKPFSS-UHFFFAOYSA-N
-rxn:5:196969:227103:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(C2CCCCC2)ncc1-c1sccc1C1CCCCC1,WOZFVSNLQZVLMS-UHFFFAOYSA-N
-rxn:5:196970:225466:226686,Cc1cnn(C2CCCCO2)c1-c1nccc(C2CCCCC2)c1-c1ccc(N2CCCCC2C)cc1,OLKLODWVMIITET-UHFFFAOYSA-N
-rxn:5:196971:225514:226686,Cc1cnn(C2CCCCO2)c1-c1cc(-c2cccc3c2OCC2(CC2)CO3)ncc1C1CCCCC1,SAUGDQDAXJRLHQ-UHFFFAOYSA-N
-rxn:5:196971:226426:222957,Cc1cc(-c2cc(-c3ccc(N4CCC(C)CC4)s3)ncc2C2CCCCC2)cc(C2CCCNC2)c1,JNCJZILURQGBGL-UHFFFAOYSA-N
-rxn:5:196978:225499:226686,Cc1cnn(C2CCCCO2)c1-c1cc(-c2ccc(C3CCCCC3)cc2F)ccc1N1CCCCC1,NXUAMOHOLNDLCP-UHFFFAOYSA-N
-rxn:5:196979:225832:223134,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2cnccc2C2CCCNC2)cc(N2CCCCC2)c1,DBCNPXKJGAEFJG-UHFFFAOYSA-N
-rxn:5:197876:223001:226079,CC(C)c1ccc2sc(-c3cc4c(cc3-c3cc(C5CCCNC5)ccc3F)S(=O)(=O)N(C(C)(C)C)C4=O)cc2c1,IMYZUZAKHFRFAA-UHFFFAOYSA-N
-rxn:5:197876:225499:228117,CC(C)Oc1cncc(-c2cc3c(cc2-c2ccc(C4CCCCC4)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,JKJDORXAQHMLOD-UHFFFAOYSA-N
-rxn:5:197876:225591:228591,CC(C)c1cnccc1-c1cc2c(cc1-c1cc(CN3CCCC3)ccc1F)S(=O)(=O)N(C(C)(C)C)C2=O,PKIVQWLZPLKCEC-UHFFFAOYSA-N
-rxn:5:197876:226058:227079,CC(C)Cc1ccc(F)c(-c2cc3c(cc2-c2c(C(C)C)cccc2C(C)C)S(=O)(=O)N(C(C)(C)C)C3=O)c1,MROPVUYUGGLZKN-UHFFFAOYSA-N
-rxn:5:197876:226064:228464,CC(C)(C)N1C(=O)c2cc(-c3cncc(OC(F)F)c3)c(-c3ccc(C4CCCCC4)cc3)cc2S1(=O)=O,HKLWWJGPONOIPV-UHFFFAOYSA-N
-rxn:5:197876:226150:227102,CC(C)(C)c1ccc(F)c(-c2cc3c(cc2-c2cccc(SC4CCCC4)c2)S(=O)(=O)N(C(C)(C)C)C3=O)c1,LQLPKXOLCIRZJV-UHFFFAOYSA-N
-rxn:5:197876:226190:227827,Cc1ccc(C2CC2)cc1-c1cc2c(cc1-c1ccc(C3CCCC3)cc1F)S(=O)(=O)N(C(C)(C)C)C2=O,VLQLKZUYHWOCTN-UHFFFAOYSA-N
-rxn:5:197876:226437:228563,CC(C)Cc1csc(-c2cc3c(cc2-c2cc(C4CCCC4)ncc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,WCDDVYRYKJZCDC-UHFFFAOYSA-N
-rxn:5:197876:226762:226187,CSc1cc(-c2cc3c(cc2-c2cccc(C4CCOCC4)c2)C(=O)N(C(C)(C)C)S3(=O)=O)cc(C(F)(F)F)c1,ZQIGQVILKRNPED-UHFFFAOYSA-N
-rxn:5:197876:226912:226150,Cc1cc(CC(C)C)cc(-c2cc3c(cc2-c2cccc(SC4CCCC4)c2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,WCLRCNWJOKXQTA-UHFFFAOYSA-N
-rxn:5:197876:227045:225395,CC(C)(C)Sc1cccc(-c2cc3c(cc2-c2cc(C4CC4)cc(C(C)(C)C)c2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,YEPBCITZIGIAHW-UHFFFAOYSA-N
-rxn:5:197876:227102:227065,CC(C)C(=O)c1cccc(-c2cc3c(cc2-c2cc(C(C)(C)C)ccc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,XFZRLKVDSVIMDN-UHFFFAOYSA-N
-rxn:5:197876:227419:227048,CC(C)C(=O)c1ccc(-c2cc3c(cc2-c2ccc(C4CCC4)nc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1,IMRRCRFXCLMQSZ-UHFFFAOYSA-N
-rxn:5:197876:227826:226174,CC(C)(C)c1cccc(-c2cc3c(cc2-c2ccc(C4CCCCC4)nc2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,YRLIZBACGDNOQM-UHFFFAOYSA-N
-rxn:5:197876:227830:226450,CC1(c2ccc(-c3cc4c(cc3-c3cccc(C5(C)OCCO5)c3)C(=O)N(C(C)(C)C)S4(=O)=O)cc2)CC1,HFOYHCOEBILIDU-UHFFFAOYSA-N
-rxn:5:197876:227997:226137,CC(C)c1ncc(C2CC2)cc1-c1cc2c(cc1-c1cc(C3CC3)ccc1F)S(=O)(=O)N(C(C)(C)C)C2=O,HXIMXNGEAPWZNH-UHFFFAOYSA-N
-rxn:5:197876:228565:225407,CSCc1ccc(-c2cc3c(cc2-c2ccc(C4CCCCCC4)cc2)C(=O)N(C(C)(C)C)S3(=O)=O)cc1,MMPJCZJVPJGGTA-UHFFFAOYSA-N
-rxn:5:197876:228759:225407,CC(=O)c1ccc(-c2cc3c(cc2-c2ccc(C4CCCCCC4)cc2)C(=O)N(C(C)(C)C)S3(=O)=O)cn1,WITUVPNWUQHXIB-UHFFFAOYSA-N
-rxn:5:227933:178295:225498,CCc1ccc(OC)cc1-c1ccc(-c2cc(C3CCCCC3)ccc2F)cc1C1(C(=O)OC)CCC(=O)CC1,RXAXTVWZNVNUDV-UHFFFAOYSA-N
-rxn:5:227935:178295:226191,CCc1cc(-c2ccc(-c3cc(C4CCCC4)ccc3F)cc2C2(C(=O)OC)CCC(=O)CC2)ccc1OC,OPTMKJOVICQQGO-UHFFFAOYSA-N
-rxn:5:227939:178295:227325,COC(=O)C1(c2cc(-c3ccc(OC(C)(C)C)nc3)ccc2-c2ccccc2C(C)OC)CCC(=O)CC1,FRGWGVMOROYDKZ-UHFFFAOYSA-N
-rxn:5:227940:178295:226767,CCc1cc(SC)cc(-c2ccc(-c3cc(OC)ccc3C(F)(F)F)cc2C2(C(=O)OC)CCC(=O)CC2)c1,QQILITDILUPKRD-UHFFFAOYSA-N
-rxn:5:227942:178295:227588,CCc1ccc(-c2ccc(-c3c(OC)cc(F)cc3OC)cc2C2(C(=O)OC)CCC(=O)CC2)c(OC)c1,WSCMVPKRMGNECB-UHFFFAOYSA-N
-rxn:5:227989:178295:227054,CC#Cc1ccc(F)c(-c2ccc(-c3ccc(C4CC4)c(OC)c3)cc2C2(C(=O)OC)CCC(=O)CC2)c1,ZWHRXFPHQCBFKM-UHFFFAOYSA-N
-rxn:4:173280:223178,CONC(=O)c1ccc(F)c(-c2ccc(OCC(F)(F)C(F)(F)F)cc2OC(F)(F)F)c1,IGZLAKRAMYBCGW-UHFFFAOYSA-N
-rxn:4:173280:223179,CONC(=O)c1cc(-c2ccc(OCC(F)(F)C(F)(F)F)cc2OC(F)(F)F)ccc1F,CBBQQBXSCPOMSW-UHFFFAOYSA-N
-rxn:4:173294:223694,CCOC(=O)CCOc1ccc(Cl)cc1-c1cc(S(=O)(=O)N2CCN(CC)CC2)c(C)cc1F,SQYSGPXXUZGJMZ-UHFFFAOYSA-N
-rxn:4:173338:223589,COC(=O)C(C(=O)OC)C(=O)c1ccc(-c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2C)cc1,JNLKQVKUBWGOTK-UHFFFAOYSA-N
-rxn:4:173416:222602,CCOC(=O)CCC(=O)c1cc(C)cc(-c2cc(CC(C)C)sc2S(=O)(=O)NC(C)(C)C)c1,WSKDDOOVSMJQRY-UHFFFAOYSA-N
-rxn:4:173435:223602,COC(=O)c1cc(OC)c(-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2Cl)c(OCC2CC2)c1,NCDAMBVNZJSLHQ-UHFFFAOYSA-N
-rxn:4:173503:223179,CONC(=O)c1cc(-c2cc(C(=O)OC)cc([Si](C)(C)C)c2OS(=O)(=O)C(F)(F)F)ccc1F,PQRSEHUNZQDWQN-UHFFFAOYSA-N
-rxn:4:173503:223279,COC(=O)c1cc(-c2cnc(C3CCCN3)nc2)c(OS(=O)(=O)C(F)(F)F)c([Si](C)(C)C)c1,MINVTXDVMICYHV-UHFFFAOYSA-N
-rxn:4:173550:224251,CC1CCCN(C(=O)c2ccc(-c3cc(C(=O)OC(C)(C)C)cc(-c4ccccc4OC(F)(F)F)c3)c(F)c2)C1,DBTLFLATZMJALO-UHFFFAOYSA-N
-rxn:4:173553:222809,CC(C)(C)OC(=O)Nc1cnc(Cl)cc1-c1cc(C(=O)OC(C)(C)C)cc(C(=O)OC(C)(C)C)c1,KCMOVILIZFKJNK-UHFFFAOYSA-N
-rxn:4:173554:223179,CONC(=O)c1cc(-c2cc(C(=O)OC(C)(C)C)ccc2C(=O)OC(C)(C)C)ccc1F,VOJCXHONOFQNIU-UHFFFAOYSA-N
-rxn:4:173575:226844,CC1(C)COC(CCCCC(=O)c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2)OC1,XNQYZYXZFLFSED-UHFFFAOYSA-N
-rxn:4:173593:224609,CC(C)N(C(=O)c1ccncc1-c1ccc(COC(=O)c2cc(C(C)(C)C)cc(C(C)(C)C)c2)cc1)C(C)C,VONULBAIHXLSIW-UHFFFAOYSA-N
-rxn:4:173593:224893,CC(C)(C)c1cc(C(=O)OCc2ccc(-c3cc(C(C)(C)C)nc(C(C)(C)C)c3)cc2)cc(C(C)(C)C)c1,YXORQILSMLCCET-UHFFFAOYSA-N
-rxn:4:173596:222701,COc1ccc(OC)c(-c2c(C(C)C)cc(C(C)C)cc2C(C)C)c1-c1cc(C2CCCNC2)cc(C(F)(F)F)c1,NRHXMHXINKFYPB-UHFFFAOYSA-N
-rxn:4:173596:223093,COc1ccc(OC)c(-c2c(C(C)C)cc(C(C)C)cc2C(C)C)c1-c1cncc(NS(=O)(=O)C(C)C)c1,RKUVDGXCYUCGBQ-UHFFFAOYSA-N
-rxn:4:173596:224426,COc1ccc(OC)c(-c2c(C(C)C)cc(C(C)C)cc2C(C)C)c1-c1cc(C2CCCCC2)cc(C2CC2)c1,FFCJYIUXYWGPBU-UHFFFAOYSA-N
-rxn:4:173596:225901,COc1ccc(OC)c(-c2c(C(C)C)cc(C(C)C)cc2C(C)C)c1-c1cn(C(=O)OC(C)(C)C)nc1C,PKDUENALLIPLNF-UHFFFAOYSA-N
-rxn:4:173641:222908,Cc1oc2cc(-c3cncc(NC(=O)OC(C)(C)C)c3)c(OC(=O)C(C)C)cc2c1C(=O)OC(C)C,ZSMCEUNOZJQXTB-UHFFFAOYSA-N
-rxn:4:173673:223179,CONC(=O)c1cc(-c2ccc(OC)c(C=C3Oc4cc(OC(C)C(=O)OC)ccc4C3=O)c2)ccc1F,JNOWWTVYIUWRGA-UHFFFAOYSA-N
-rxn:4:173675:226844,Cc1oc2cc(-c3ccnc(C(=O)C(F)(F)F)c3)c(OC(=O)C(C)(C)C)cc2c1C(=O)OC(C)C,CFILSSOPDHVFPR-UHFFFAOYSA-N
-rxn:4:173723:224736,CC(C)COc1cc(C(F)(F)F)ccc1-c1ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc1,HVXHFYLLOTVWSZ-UHFFFAOYSA-N
-rxn:4:173723:224741,COc1cc(C2OCCO2)cc(OC)c1-c1ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc1,VWOFJRGLGQWLIV-UHFFFAOYSA-N
-rxn:4:173723:224756,O=C(COS(=O)(=O)C(F)(F)F)c1ccc(-c2cc(F)ccc2C(=O)N2CCOCC2)cc1,QUWKDIYTRDIIKK-UHFFFAOYSA-N
-rxn:4:173723:224758,O=C(COS(=O)(=O)C(F)(F)F)c1ccc(-c2ccc(C(=O)N3CCOCC3)c(Cl)c2)cc1,WUAYRINXJNLONY-UHFFFAOYSA-N
-rxn:4:173769:223753,COC(=O)c1ccc(-c2ccc(C)c(OCCCN3CCN(C)CC3)c2)c(OCC(F)F)c1,HTPBISHVQSIAFX-UHFFFAOYSA-N
-rxn:4:174011:223489,CCOC(=O)c1cc(-c2ccc(S(=O)(=O)N3CCC(O[Si](C)(C)C(C)(C)C)CC3)cc2)c(OCC)c(F)c1F,LIKBOEWFAHOUKU-UHFFFAOYSA-N
-rxn:4:174134:223583,COC(=O)c1ccc2c(-c3ccccc3OC(C(=O)OC)C(C)C)cn(C(=O)OC(C)(C)C)c2c1,GKEJCKOVURFPNO-UHFFFAOYSA-N
-rxn:4:174154:223919,CN(C(=O)c1ccc(-c2cc(F)cc(OCC(=O)OC(C)(C)C)c2)cc1Cl)C1CCCCC1,QDAGGXHRKVZWOI-UHFFFAOYSA-N
-rxn:4:174164:224280,CCOC(=O)C(C)(C)Oc1c(F)cc(-c2cc3c(s2)CCN(C(=O)OC(C)(C)C)C3)cc1F,BRXYQAQSJOSNCY-UHFFFAOYSA-N
-rxn:4:174263:223480,COCCOc1cccc(-c2ccccc2-c2cc(C)c(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c(C)c2)c1,NVLOKQNAGLIWPI-UHFFFAOYSA-N
-rxn:4:174293:223645,CCOC(=O)C1CCCN(C(=O)c2cccc(-c3ccc(CCC(=O)c4ccccc4C(F)(F)F)cc3)c2)C1,NTUJJQVGTKUNMP-UHFFFAOYSA-N
-rxn:4:174406:224967,COC(=O)c1cc(-c2ccc(C3(C(=O)OC)CC(OC)(OC)C3)cc2)cc(C(C)(C)C)c1,MZKUXONBUMKNHW-UHFFFAOYSA-N
-rxn:4:174407:223558,COC(=O)C1(c2cccc(-c3ccc4c(c3)CCN(C(=O)OCc3ccccc3)C4)c2)CC(OC)(OC)C1,KMRGNSGYKLVQIS-UHFFFAOYSA-N
-rxn:4:174407:224022,COC(=O)C1(c2cccc(-c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)c2)CC(OC)(OC)C1,IKYFBYHUMWGNEF-UHFFFAOYSA-N
-rxn:4:174437:224853,CC1(C)CCC(c2ccc(-c3cc(CC4(C(=O)OC(C)(C)C)CC4)ccc3F)cc2)CC1,FFGRBIQXINUFLW-UHFFFAOYSA-N
-rxn:4:174446:222513,COC(=O)c1cc(-c2cc(S(=O)(=O)NC3CCCCC3)ccc2OC)c(-c2ccc(F)cc2)cc1OC(C)C,GRZJTHZMWRLLRQ-UHFFFAOYSA-N
-rxn:4:174470:223884,CCOC(=O)C1(Cc2ccccc2-c2ccc3c(c2)CCN(C(=O)OC(C)(C)C)C3)CCCCC1,MTYZYSRGAHZXJM-UHFFFAOYSA-N
-rxn:4:174518:225044,CC(C)[Si](Oc1ccc(F)c(-c2cc([Si](C)(C)C)cc([Si](C)(C)C)c2)c1)(C(C)C)C(C)C,XROGZAQPPPODPE-UHFFFAOYSA-N
-rxn:4:174522:223998,CC1CCN(S(=O)(=O)c2ccc(-c3ccc(C#C[Si](C(C)C)(C(C)C)C(C)C)cc3)cc2F)CC1,FQVPEAMEHYHQMR-UHFFFAOYSA-N
-rxn:4:174522:224129,CC(C)[Si](C#Cc1ccc(-c2cccc(C(=O)N(C)C3CCCCC3)c2)cc1)(C(C)C)C(C)C,PWPZVKKQUMPURP-UHFFFAOYSA-N
-rxn:4:174522:224937,CCOC(=O)C1(c2ccc(-c3ccc(C#C[Si](C(C)C)(C(C)C)C(C)C)cc3)cc2)CC1,FRBXWOGGAVIQNY-UHFFFAOYSA-N
-rxn:4:174526:223880,Cc1ccc2c(c1)cc(-c1ccc(O[Si](C(C)C)(C(C)C)C(C)C)c(Cl)c1C)n2C(=O)OC(C)(C)C,KOPLHKYLIPLYQE-UHFFFAOYSA-N
-rxn:4:174561:224842,COC(=O)C12CC(COc3ccc(-c4ccc5c(c4)C(C)(C)CCC5(C)C)c(C)c3)(C1)C2,KPXQEPFUZNBYGP-UHFFFAOYSA-N
-rxn:4:174634:223846,CCc1c(C)c2ccc(OCC(=O)c3ccc(-c4cc(C)cc(C5CC6CCC5(C)C6(C)C)c4)cc3)c(C)c2oc1=O,UKSAFJUXMFYFMY-UHFFFAOYSA-N
-rxn:4:174656:222945,CC(C)NS(=O)(=O)c1ccc(-c2cccc3cccc(C#C[Si](C(C)C)(C(C)C)C(C)C)c23)cc1F,CWFAMEOHEUYTJE-UHFFFAOYSA-N
-rxn:4:174656:224561,Cc1c(O[Si](C)(C)C(C)(C)C)cccc1-c1cccc2cccc(C#C[Si](C(C)C)(C(C)C)C(C)C)c12,PWDWSZWRRSFUKO-UHFFFAOYSA-N
-rxn:4:174663:223179,CONC(=O)c1cc(-c2ccc(S(=O)(=O)OCC(=O)[C@H]3CC[C@H]4[C@@H]5CCC6=CC(=O)CC[C@]6(C)[C@H]5CC[C@]34C)cc2)ccc1F,XQVJFIFFQZCYEZ-YWDCHRJXSA-N
-rxn:4:174663:226844,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)COS(=O)(=O)c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1,WLFNDXWDOZEIAT-UAJPHTGBSA-N
-rxn:4:174758:223490,Cc1ccc(-c2cc(C(F)(F)F)ccc2OC(F)(F)C(F)(F)F)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,WMOJSOFOEFUNOT-UHFFFAOYSA-N
-rxn:4:174907:222537,CC(=O)OCc1cc(-c2cc(C3CCCC3)nc(C3CCCNC3)c2)ccc1C(F)(F)F,XLZBEXXRAWLPBD-UHFFFAOYSA-N
-rxn:4:174916:223698,CCC(=O)c1cc(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCCC3)c2)ccc1OC(F)(F)F,ZFNMBWGRXYUVRR-UHFFFAOYSA-N
-rxn:4:174943:222603,CCOC(=O)c1cc(C(F)(F)F)c(-c2cc(OC)c(NC(=O)OC(C)(C)C)cc2Cl)cc1F,HGURAHLOYHCQPQ-UHFFFAOYSA-N
-rxn:4:175184:222524,COC(=O)c1ccc(OC2CC2)cc1-c1cc(F)c(F)cc1S(=O)(=O)N1CCC(O)CC1,ZAQXEAYSMDOWJW-UHFFFAOYSA-N
-rxn:4:175940:224802,C#Cc1cc(F)c(OCC2CCCCC2)c(-c2ccc(C(OC)OC)cc2C(F)(F)F)c1,SQQFRAFAGDOEGE-UHFFFAOYSA-N
-rxn:4:176095:223670,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2cccc(CO[Si](C)(C)C(C)(C)C)c2F)CC1,SNNTWZDHAIUIFC-UHFFFAOYSA-N
-rxn:4:176131:222698,CC(C)(C)Sc1cc(SC(C)(C)C)cc(-c2ccc(C(=O)N3CCC(O)CC3)c(Cl)c2)c1,VTGYWQTXEURLTO-UHFFFAOYSA-N
-rxn:4:176131:223579,CC1CN(C(=O)OC(C)(C)C)CCN1c1ccc(-c2cc(SC(C)(C)C)cc(SC(C)(C)C)c2)cc1,XJDNCXOFOSJJRJ-UHFFFAOYSA-N
-rxn:4:176215:223743,COCCOC1CCCOc2cc(-c3ccc(C)c(OCCCN4CCC(C)CC4)c3)ccc21,KGJPFWMBIIPMKA-UHFFFAOYSA-N
-rxn:4:176293:224146,Cc1cc(O[Si](C)(C)C(C)(C)C)cc(C)c1-c1ccc(C=C2Oc3cc(OC(=O)C(C)(C)C)ccc3C2=O)cc1,ZWSPEQLBIYFLNN-UHFFFAOYSA-N
-rxn:4:176302:223884,Cc1ccc(C=C2Oc3cc(OS(=O)(=O)c4ccc(-c5ccc6c(c5)CCN(C(=O)OC(C)(C)C)C6)cc4)ccc3C2=O)cc1,OIUZRJOMZOSTKW-UHFFFAOYSA-N
-rxn:4:176306:223179,CONC(=O)c1cc(-c2ccc(C=C3Oc4cc(OC(=O)C5CCCCC5)ccc4C3=O)cc2)ccc1F,YFWJGYUAPWHFEF-UHFFFAOYSA-N
-rxn:4:176306:226844,O=C1C(=Cc2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2)Oc2cc(OC(=O)C3CCCCC3)ccc21,VHEMTZOREWOGMJ-UHFFFAOYSA-N
-rxn:4:176308:223179,CONC(=O)c1cc(-c2ccccc2C=C2Oc3cc(OC(=O)C4CCCCC4)ccc3C2=O)ccc1F,NBKLAPVSQDNVAK-UHFFFAOYSA-N
-rxn:4:176317:226844,O=C(c1cc(-c2ccc(OCC(F)(F)F)c(C34CC5CC(CC(C5)C3)C4)c2)ccn1)C(F)(F)F,WBDQOXXBLJZQHA-UHFFFAOYSA-N
-rxn:4:176320:223773,COc1cccc2cc(-c3ccc(OCc4ccccc4)c(C45CC6CC(CC(C6)C4)C5)c3)n(C(=O)OC(C)(C)C)c12,YWZWDWPAUATSBK-UHFFFAOYSA-N
-rxn:4:176322:223287,CCC1(CC)CC(C)(C)c2c1cc1c(c2-c2ccc(S(=O)(=O)NC)cc2)C(C)(C)CC1(CC)CC,IPQKZHFLRWSGSY-UHFFFAOYSA-N
-rxn:4:176324:223179,CONC(=O)c1cc(-c2ccccc2COc2ccc(C3C4=C(CC(C)(C)CC4=O)OC4=C3C(=O)CC(C)(C)C4)cc2)ccc1F,YNFZKLKMUDEOKF-UHFFFAOYSA-N
-rxn:4:176429:223814,Fc1cc(CN2CCC3(CC2)OCCO3)ccc1-c1ccc(C(F)(F)F)c(OC(F)F)c1,SVILOOWDVGZJOD-UHFFFAOYSA-N
-rxn:4:176488:223670,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2ccc(C(=O)CC(F)(F)F)cc2)CC1,JDNJZFKDOCGKII-UHFFFAOYSA-N
-rxn:4:176614:223492,COC(=O)Cc1cc(F)c(F)cc1-c1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c(C)c1,HNYPZAWEBYTEAM-UHFFFAOYSA-N
-rxn:4:176828:223559,COC(=O)c1cc(SC)cc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)c1,VFFWHYVAIWXQBO-UHFFFAOYSA-N
-rxn:4:177128:223559,CC(=O)C(C)Sc1ccc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)cc1,QGKOLNAMVKRERE-UHFFFAOYSA-N
-rxn:4:177162:223606,O=C(CC1CC1)c1cccc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c(F)c2)c1,QBZITRHVYMZBAH-UHFFFAOYSA-N
-rxn:4:177644:223536,CC(C)(C)OC(=O)N1CCN(c2cc(-c3ccc(-c4cccc(OC(F)(F)F)c4)cc3)cc(F)c2F)CC1,HHOJEZRVWHENBV-UHFFFAOYSA-N
-rxn:4:178307:223698,CC(C)(C)[Si](C)(C)Oc1cccc(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCCC3)c2)c1,LTURLOXAVMWLAK-UHFFFAOYSA-N
-rxn:4:178381:224132,CN(C(=O)c1ccccc1-c1c(C(C)(C)C)cc(C(C)(C)C)cc1C(C)(C)C)C1CCCCC1,RDRUYIFXRYRLNU-UHFFFAOYSA-N
-rxn:4:178381:224618,CC(C)(C)c1cc(C(C)(C)C)c(-c2ccnc(CO[Si](C)(C)C(C)(C)C)c2)c(C(C)(C)C)c1,RZCHSQGHYVTUNU-UHFFFAOYSA-N
-rxn:4:178381:224970,CC(C)(C)c1cc(C(C)(C)C)c(-c2ccc(S[Si](C)(C)C(C)(C)C)cc2)c(C(C)(C)C)c1,JGWSMOMTTYODTC-UHFFFAOYSA-N
-rxn:4:178382:222908,CC(C)(C)OC(=O)Nc1cncc(-c2cc(C(C)(C)C)c(C(C)(C)C)c(C(C)(C)C)c2)c1,WFWOFTSDOFWEQL-UHFFFAOYSA-N
-rxn:4:178384:223179,CONC(=O)c1cc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)ccc1F,ATAAYSKIEMDAPO-UHFFFAOYSA-N
-rxn:4:178384:223279,c1nc(C2CCCN2)ncc1-c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1,PAOJBXPJGTUIRT-UHFFFAOYSA-N
-rxn:4:178384:225802,Fc1nc(OC2CCCC2)ccc1-c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1,MVDBDIDHNYLTIQ-UHFFFAOYSA-N
-rxn:4:178384:228730,N#Cc1ccc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)cc1Cl,RAJDQXLSLKTQQY-UHFFFAOYSA-N
-rxn:4:178594:223179,CONC(=O)c1cc(-c2cc(Cl)c(OCC34CC5CC(CC(C5)C3)C4)cc2F)ccc1F,MPJAUJWPRQWCOO-UHFFFAOYSA-N
-rxn:4:178594:226059,CC(C)c1ccc(-c2cc(Cl)c(OCC34CC5CC(CC(C5)C3)C4)cc2F)c(C(C)C)c1,GZRMDDCFILPBMC-UHFFFAOYSA-N
-rxn:4:178594:226116,Cc1cc(-c2cc(Cl)c(OCC34CC5CC(CC(C5)C3)C4)cc2F)ccc1OCC1CC1,NBUINLUJJAKQGY-UHFFFAOYSA-N
-rxn:4:178594:226844,O=C(c1cc(-c2cc(Cl)c(OCC34CC5CC(CC(C5)C3)C4)cc2F)ccn1)C(F)(F)F,BYMNOFAKPYLPIQ-UHFFFAOYSA-N
-rxn:4:178597:227009,CCC(C)Oc1ccccc1-c1ccc(OC(=O)C2OC3OC(C)(C)OC3C3OC(C)(C)OC23)cc1,UTVJNJIIVAQEQS-UHFFFAOYSA-N
-rxn:4:178597:228000,COc1cc(C)c(C)cc1-c1ccc(OC(=O)C2OC3OC(C)(C)OC3C3OC(C)(C)OC23)cc1,IKDCJVZTRQXOCC-UHFFFAOYSA-N
-rxn:4:178597:228059,Cc1nc2cc(-c3ccc(OC(=O)C4OC5OC(C)(C)OC5C5OC(C)(C)OC45)cc3)ccc2s1,SXNJYUPVUQWMHS-UHFFFAOYSA-N
-rxn:4:178597:228203,CC(C)c1ccc(-c2ccc(OC(=O)C3OC4OC(C)(C)OC4C4OC(C)(C)OC34)cc2)c(Cl)n1,SPCVIMQJCIDXDI-UHFFFAOYSA-N
-rxn:4:178597:229038,Cc1ccc(Cl)c(-c2ccc(OC(=O)C3OC4OC(C)(C)OC4C4OC(C)(C)OC34)cc2)c1,XGRCPFDZODZIHN-UHFFFAOYSA-N
-rxn:4:179447:223559,CCS(=O)(=O)c1ccc(F)c(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)c1,KBSBNCTVAHJSJV-UHFFFAOYSA-N
-rxn:4:180208:223712,COc1ccc(-c2ccc(OC3CCCCO3)c(F)c2)cc1C12CC3CC(CC(C3)C1)C2,PPSTXGXOPAKWEM-UHFFFAOYSA-N
-rxn:4:180342:223559,CC(=O)c1ccc(C(C)(C)C)cc1-c1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)OC(C)(C)C,QHKSKFXFOCHJNF-UHFFFAOYSA-N
-rxn:4:180549:223497,COC(=O)c1sc2ccccc2c1-c1ccc(C(C)N2CCC(O[Si](C)(C)C(C)(C)C)CC2)cc1,BEXFMQZVPHVBTL-UHFFFAOYSA-N
-rxn:4:180792:224842,CCOC1CCC2(CC1)Cc1ccc(-c3ccc4c(c3)C(C)(C)CCC4(C)C)cc1C2=O,GXLSTIANIXQGLV-UHFFFAOYSA-N
-rxn:4:180815:225055,COc1ccc(-c2ccc(N3CCCC(C)C3)cc2Cl)cc1C12CC3CC(CC(C3)C1)C2,FDZYVQAVFXKUCM-UHFFFAOYSA-N
-rxn:4:181442:223500,CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(-c3cc(F)ccc3C3CC3)ccc2F)CC1,WUPVQGUMHQDPFE-UHFFFAOYSA-N
-rxn:4:181653:223669,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cc(Cl)c(F)c(C4OCCO4)c3)cn2)CC1,REBZCNDUZMKYGX-UHFFFAOYSA-N
-rxn:4:182367:224420,Cc1cc2c(cc1-c1ccc3c(c1)C(=O)C1(CCC(C(F)F)CC1)C3)C(C)(C)CCC2(C)C,DZOCKYMRIHVIPS-UHFFFAOYSA-N
-rxn:4:182372:222546,CO[C@H]1CC[C@]2(CC1)Cc1ccc(-c3ccc(OCCNC4CCCCC4)c(F)c3)cc1C2=O,OKSLSQXBUBELMQ-YLIUREIVSA-N
-rxn:4:182376:225162,CO[C@H]1[C@H](C)C[C@@]2(Cc3ccc(-c4ccc(C(=O)N5CCCC5)c(Cl)c4)cc3C2=O)C[C@@H]1C,USWVNOTZZPDNJF-VCHYDZHZSA-N
-rxn:4:183027:223493,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccc2c(c1)CCC(=O)C2,VRKJDTJJIKZURB-UHFFFAOYSA-N
-rxn:4:183271:223105,CNS(=O)(=O)c1cc(-c2ccc3c(c2)OCCOCCOCCOCCO3)c(F)cc1C,LZUZPGQNDJUDKM-UHFFFAOYSA-N
-rxn:4:183272:223179,CONC(=O)c1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCO3)ccc1F,HGZHGYHZFNHAAB-UHFFFAOYSA-N
-rxn:4:183274:223416,c1cnc2[nH]cc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCOCCO4)c2c1,YVIUIZNCASBUSU-UHFFFAOYSA-N
-rxn:4:183274:225980,Fc1cnc(N2CCOCC2)cc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCOCCO2,SFZGBUXRRJARCB-UHFFFAOYSA-N
-rxn:4:183274:228823,Cc1cc(F)c(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCOCCO3)cc1Cl,LKHZBBDFFDZCHQ-UHFFFAOYSA-N
-rxn:4:183274:229121,Cc1c(F)cncc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCOCCO2,RFYYUTDNDBZSCC-UHFFFAOYSA-N
-rxn:4:183274:229276,Clc1cnc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCOCCO3)cn1,VGHOBFSOBOIFIA-UHFFFAOYSA-N
-rxn:4:183379:225498,CC1(C)C=Cc2c3c(cc(-c4cc(C5CCCCC5)ccc4F)c2O1)C(=O)OC(C)(C)O3,IMPIRSCZLCBHPB-UHFFFAOYSA-N
-rxn:4:183528:224997,CCOC(=O)Cc1ccc(C#N)c(-c2ccc(C(=O)N3CCCCC3)cc2)c1C(F)(F)F,RYVCIJMICRBKBD-UHFFFAOYSA-N
-rxn:4:183541:225384,CCOC(=O)Cc1cc(-c2ccc(OC(F)(F)F)c([N+](=O)[O-])c2)cc(C#N)c1C(F)(F)F,CRZCCQOYYMIIIF-UHFFFAOYSA-N
-rxn:4:183646:223279,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cnc(C3CCCN3)nc2)cc1OCC(F)(F)F,XCBNCUJWAGPDHX-UHFFFAOYSA-N
-rxn:4:183659:223588,COCCOc1cc(-c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)c(C)c2)ccc1C(=O)N(C)C,MUDWRVKZGLCVTO-UHFFFAOYSA-N
-rxn:4:183684:222732,CCN(CC)C(=O)CS(=O)(=O)c1ccccc1-c1ccc(C(=O)NC2CCCCC2)cc1,VSPSBKJKQOZSKO-UHFFFAOYSA-N
-rxn:4:183718:223575,COc1cc(-c2ccccc2CN2CCN(C(=O)OC(C)(C)C)CC2)cnc1OCCOC(C)(C)C,QNPAHCXNAWMOLW-UHFFFAOYSA-N
-rxn:4:183730:223279,O=C(COc1cc(OC(F)(F)F)ccc1-c1cnc(C2CCCN2)nc1)N1CCOCC1,SZENAIWPEXEBDK-UHFFFAOYSA-N
-rxn:4:183751:223279,CCCOC(=O)CN1C(=O)C(=Cc2cccc(-c3cnc(C4CCCN4)nc3)c2)SC1=S,AOASTSFTAZUXJA-UHFFFAOYSA-N
-rxn:4:183752:223279,CCOC(=O)CCN1C(=O)C(=Cc2cccc(-c3cnc(C4CCCN4)nc3)c2)SC1=S,XXSHWKHCTOHHGO-UHFFFAOYSA-N
-rxn:4:183795:224279,COC(=O)c1ccc(N(C)C(=O)OC(C)(C)C)c(-c2ccc3c(c2)ncn3C(=O)OC(C)(C)C)c1,ZJDOSMIRAFHISD-UHFFFAOYSA-N
-rxn:4:183803:223179,CONC(=O)c1cc(-c2ccc(OC(F)(F)F)cc2OCCN2CCCCC2)ccc1F,QXTZFXMDVXJGSX-UHFFFAOYSA-N
-rxn:4:183809:226844,O=C(c1cc(-c2cc(OC(F)(F)F)ccc2OCCN2CCCC(F)(F)C2)ccn1)C(F)(F)F,INWDVCITGTUKER-UHFFFAOYSA-N
-rxn:4:183823:225327,CCCOc1ncc(C(F)(F)F)cc1-c1ccc(Cl)c(CN(C(=O)OC(C)(C)C)C2CC2)c1,DSTUKVSLWIYWAB-UHFFFAOYSA-N
-rxn:4:183854:223608,O=C(c1ccc(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCOCC3)c2)cc1)N(Cc1ccc(F)cc1)Cc1ccco1,NPKWBGAMQLYVIU-UHFFFAOYSA-N
-rxn:4:183875:223179,CONC(=O)c1cc(-c2ccc(OCC3CN(C(=O)OC(C)(C)C)C3)c(Cl)c2)ccc1F,RJFPMBIIMIIULG-UHFFFAOYSA-N
-rxn:4:183877:226844,CC(C)(C)OC(=O)N1CC(COc2cccc(Cl)c2-c2ccnc(C(=O)C(F)(F)F)c2)C1,VUWVJONZPVIQGJ-UHFFFAOYSA-N
-rxn:4:183886:222521,CC(C)(C)OC(=O)Nc1cc(-c2ccccc2OCCCN2CCC(C(F)(F)F)CC2)cc(C(F)(F)F)c1,IXVLXUBRRBLAPP-UHFFFAOYSA-N
-rxn:4:183890:223279,CC(C)(C)OC(=O)N1CC(COc2c(F)cc(-c3cnc(C4CCCN4)nc3)cc2F)C1,IBPMUDIMKLUWSC-UHFFFAOYSA-N
-rxn:4:183892:223279,COC(=O)c1cc(OCCN2CCC(F)(F)CC2)cc(-c2cnc(C3CCCN3)nc2)c1,IHULLDKMUKSXEE-UHFFFAOYSA-N
-rxn:4:183903:226125,COCc1cc(-c2cnc(C#C[Si](C)(C)C)c(OC(=O)OC(C)(C)C)c2)cc(C2CC2)c1,UUSMKEDBLHLCPO-UHFFFAOYSA-N
-rxn:4:183908:226844,CCCCN(C(=O)c1cccc(-c2ccnc(C(=O)C(F)(F)F)c2)c1)C1CCS(=O)(=O)C1,QQXGPOWUSVJCDX-UHFFFAOYSA-N
-rxn:4:183910:223179,CONC(=O)c1cc(-c2cc(OCCN3CCOC(C)C3)cc(C(=O)OC)c2)ccc1F,URECFHLSYXYTEM-UHFFFAOYSA-N
-rxn:4:183911:223279,CC1CCCCN1CCOc1cc(OC(F)(F)F)ccc1-c1cnc(C2CCCN2)nc1,SGNQXNIAYXMRHG-UHFFFAOYSA-N
-rxn:4:183915:226844,CC1CCN(CCOc2ccc(OC(F)(F)F)cc2-c2ccnc(C(=O)C(F)(F)F)c2)CC1,GOUWLQCBNRTQAJ-UHFFFAOYSA-N
-rxn:4:183929:226499,Cc1ccc(-c2cccn2C(=O)OC(C)(C)C)cc1CN(C(=O)OC(C)(C)C)C1CC1,MEEPHYCLKRRNKY-UHFFFAOYSA-N
-rxn:4:183930:222815,Cc1ccc(CN(C(=O)OC(C)(C)C)C2CC2)c(-c2ccc(S(=O)(=O)NC(=O)C(C)C)cc2)c1,SALNRBSFIGQJDY-UHFFFAOYSA-N
-rxn:4:183942:223179,CONC(=O)c1cc(-c2ccc(OC)cc2C(=O)N2CC(S(=O)(=O)CC(C)C)C2)ccc1F,NCJPCKFWPGAXBR-UHFFFAOYSA-N
-rxn:4:183962:223179,CONC(=O)c1cc(-c2cc(C)cc(OCC3CN(C(=O)OC(C)(C)C)C3)c2)ccc1F,VBNLDTBBJQKYOA-UHFFFAOYSA-N
-rxn:4:183962:226844,Cc1cc(OCC2CN(C(=O)OC(C)(C)C)C2)cc(-c2ccnc(C(=O)C(F)(F)F)c2)c1,AGQZRJQYHREJON-UHFFFAOYSA-N
-rxn:4:183965:223179,CONC(=O)c1cc(-c2cc(OCCN3CCCC(C)C3)cc(C(=O)OC)c2)ccc1F,GVYLMDDIJHFZOP-UHFFFAOYSA-N
-rxn:4:183968:223179,CONC(=O)c1cc(-c2cc(F)cc(OCC3CCN(C(=O)OC(C)(C)C)C3)c2)ccc1F,HOUGZRDDBRYRPY-UHFFFAOYSA-N
-rxn:4:183969:223654,CCOC(=O)C1CCN(S(=O)(=O)c2ccc(-c3cc4cccnc4n3S(=O)(=O)c3ccc(C)cc3)c(OC)c2)CC1,YMBYUKPIKOBHEB-UHFFFAOYSA-N
-rxn:4:183969:226844,CCOC(=O)C1CCN(S(=O)(=O)c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)c(OC)c2)CC1,QFXCXIYDQANLPH-UHFFFAOYSA-N
-rxn:4:183989:224509,CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)Cc1c(F)cc(F)cc1-c1ccc(Oc2ccc(C#N)cc2)cc1,GYXOTEUXLCLCTL-MHZLTWQESA-N
-rxn:4:183993:224842,Cc1ccc(-c2ccc3c(c2)C(C)(C)CCC3(C)C)cc1CN(C(=O)OC(C)(C)C)C1CCC1,WTUMSQMOVQAESI-UHFFFAOYSA-N
-rxn:4:183996:223179,CONC(=O)c1cc(-c2ccc(Cl)c(CN(C(=O)OC(C)(C)C)C3CCCC3)c2)ccc1F,IQDWJEXRANWSKO-UHFFFAOYSA-N
-rxn:4:183998:224842,CC(C)(C)OC(=O)N(Cc1ccc(-c2ccc3c(c2)C(C)(C)CCC3(C)C)cc1F)C1CCCC1,UTHKOMWEDJMATB-UHFFFAOYSA-N
-rxn:4:183999:223179,CONC(=O)c1cc(-c2ccc(CN(C(=O)OC(C)(C)C)C3CCCC3)cc2F)ccc1F,WTOCVDUJSWTJSD-UHFFFAOYSA-N
-rxn:4:184010:223179,CCOc1ccc(-c2ccc(F)c(C(=O)NOC)c2)cc1S(=O)(=O)N(CC)C1CCCCC1,DZXUYKZIBKIGHI-UHFFFAOYSA-N
-rxn:4:184012:223279,CCCOc1cc(S(=O)(=O)N(C)C2CCCCC2)ccc1-c1cnc(C2CCCN2)nc1,FZCGYOUGKBOKNR-UHFFFAOYSA-N
-rxn:4:184017:223279,CC(C)(C)OC(=O)N1CCC(COc2ccc(-c3cnc(C4CCCN4)nc3)cc2)CC1,HZTRKRZHKCRYKJ-UHFFFAOYSA-N
-rxn:4:184019:223179,CONC(=O)c1cc(-c2c(C)cc(OCC3CN(C(=O)OC(C)(C)C)C3)cc2C)ccc1F,WLPZXDMYJADSGW-UHFFFAOYSA-N
-rxn:4:184022:223279,CC(C)(C)OC(=O)N1CCC(COc2cc(Cl)ccc2-c2cnc(C3CCCN3)nc2)CC1,QXDFVXOSWWQVQQ-UHFFFAOYSA-N
-rxn:4:184025:226844,CC(C)(C)OC(=O)N1CCC(COc2cc(-c3ccnc(C(=O)C(F)(F)F)c3)ccc2Cl)CC1,HXGAICOSSKVXJC-UHFFFAOYSA-N
-rxn:4:184026:223179,CONC(=O)c1cc(-c2ccc(Cl)c(OCC3CCCN(C(=O)OC(C)(C)C)C3)c2)ccc1F,TUWNLHGXCPDVIQ-UHFFFAOYSA-N
-rxn:4:184027:225278,COC(=O)c1ccc(C(=O)OC)c(-c2ccc(OCC3CCN(C(=O)OC(C)(C)C)CC3)c(F)c2)c1,DYBVJLNDQDJWMT-UHFFFAOYSA-N
-rxn:4:184028:222439,CC(C)(C)OC(=O)N1CCC(OCc2ccc(-c3ccc(S(=O)(=O)NC4CCCCC4)cc3C(F)(F)F)cc2F)CC1,ZCIXPGAQHQJWMD-UHFFFAOYSA-N
-rxn:4:184028:223179,CONC(=O)c1cc(-c2ccc(COC3CCN(C(=O)OC(C)(C)C)CC3)c(F)c2)ccc1F,BCBGAPBAKDFHGH-UHFFFAOYSA-N
-rxn:4:184028:226844,CC(C)(C)OC(=O)N1CCC(OCc2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2F)CC1,RSAPQWNTAQIJIC-UHFFFAOYSA-N
-rxn:4:184029:226844,CC(C)(C)OC(=O)N1CCC(COc2cccc(-c3ccnc(C(=O)C(F)(F)F)c3)c2F)CC1,GWUKLIFQUZSLBQ-UHFFFAOYSA-N
-rxn:4:184030:223179,CONC(=O)c1cc(-c2c(F)cccc2OCC2CCN(C(=O)OC(C)(C)C)CC2)ccc1F,OKBRPJWBECVWRX-UHFFFAOYSA-N
-rxn:4:184030:225166,CC(C)(C)OC(=O)N1CCC(COc2cccc(F)c2-c2ccc(C(=O)N3CCCC3)c(F)c2)CC1,IIJXACZCUGITOH-UHFFFAOYSA-N
-rxn:4:184031:223179,CONC(=O)c1cc(-c2cc(F)cc(OCC3CCCN(C(=O)OC(C)(C)C)C3)c2)ccc1F,DXYLKCVEIYIVAX-UHFFFAOYSA-N
-rxn:4:184033:223279,CC(C)(C)OC(=O)N1CCCC(OS(=O)(=O)c2ccc(-c3cnc(C4CCCN4)nc3)cc2)C1,MTDKAAQJNOODKJ-UHFFFAOYSA-N
-rxn:4:184047:224377,COc1ccc(CN(C(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCN(C)CC4)cc3)cc2)C2CCS(=O)(=O)C2)cc1,UJAVWWMPOBRYFX-UHFFFAOYSA-N
-rxn:4:184051:223179,CONC(=O)c1cc(-c2cccc(CN(C(=O)c3ccc(OC)c(Cl)c3)C3CCS(=O)(=O)C3)c2)ccc1F,SPKWVKMLPZHTDO-UHFFFAOYSA-N
-rxn:4:184051:226537,CCOC(=O)c1ccc(-c2cccc(CN(C(=O)c3ccc(OC)c(Cl)c3)C3CCS(=O)(=O)C3)c2)cc1Cl,UPOFALHDMRRKBH-UHFFFAOYSA-N
-rxn:4:184053:226844,CN(Cc1cc(-c2ccnc(C(=O)C(F)(F)F)c2)cc(C(C)(C)C)c1)C(=O)OC(C)(C)C,SPNVKBHJUOPBPY-UHFFFAOYSA-N
-rxn:4:184054:228442,COc1cc(Cl)c(F)cc1-c1ccc(CC(=O)N2CCC(S(=O)(=O)CC(C)C)CC2)cc1,IBPZNQVKCVJIGC-UHFFFAOYSA-N
-rxn:4:184055:223179,CONC(=O)c1cc(-c2ccc(OC3CCN(C(=O)OC(C)(C)C)CC3)c(OC)c2)ccc1F,FIJKVXMBPUVNAI-UHFFFAOYSA-N
-rxn:4:184056:223179,CONC(=O)c1cc(-c2ccc(OC3CCN(C(=O)OC(C)(C)C)CC3)cc2OC)ccc1F,PPBIIOXPIGPTRU-UHFFFAOYSA-N
-rxn:4:184061:223179,CONC(=O)c1cc(-c2ccc(N3CC(C(=O)OC(C)C(=O)c4ccc(C)cc4)CC3=O)cc2)ccc1F,XCQRIYIJEFACCT-UHFFFAOYSA-N
-rxn:4:184064:224842,Cc1ccc(CN(C(=O)OC(C)(C)C)C2CCCC2)c(-c2ccc3c(c2)C(C)(C)CCC3(C)C)c1,MBKXBMRREBECEE-UHFFFAOYSA-N
-rxn:4:184064:226844,Cc1ccc(CN(C(=O)OC(C)(C)C)C2CCCC2)c(-c2ccnc(C(=O)C(F)(F)F)c2)c1,XFTGAZDKJGSBMM-UHFFFAOYSA-N
-rxn:4:184065:223179,CONC(=O)c1cc(-c2ccc(CN(C(=O)OC(C)(C)C)C3CCCCC3)cc2)ccc1F,HDOVDGYYVPLCPW-UHFFFAOYSA-N
-rxn:4:184066:223279,CC(C)(C)OC(=O)N(Cc1cccc(Cl)c1-c1cnc(C2CCCN2)nc1)C1CCCCC1,VEMFZPUXKLKTEM-UHFFFAOYSA-N
-rxn:4:184067:223279,CC(C)(C)OC(=O)N(Cc1ccc(-c2cnc(C3CCCN3)nc2)cc1)C1CCC(F)(F)CC1,WYDLHZBKCICJHG-UHFFFAOYSA-N
-rxn:4:184070:223179,CONC(=O)c1cc(-c2ccc(C3(C(=O)OC)CCN(C(=O)OC(C)(C)C)C3)c(C)c2)ccc1F,REYXPZJLTPGFAN-UHFFFAOYSA-N
-rxn:4:184072:223279,CC(C)(C)OC(=O)N1CCCC(CS(=O)(=O)c2ccc(-c3cnc(C4CCCN4)nc3)cc2)C1,BZLAMIDFBFDCSB-UHFFFAOYSA-N
-rxn:4:184073:223279,CC(C)(C)OC(=O)N1CCCC(CS(=O)(=O)c2cccc(-c3cnc(C4CCCN4)nc3)c2)C1,BTTVRBUGPCDXAH-UHFFFAOYSA-N
-rxn:4:184073:226844,CC(C)(C)OC(=O)N1CCCC(CS(=O)(=O)c2cccc(-c3ccnc(C(=O)C(F)(F)F)c3)c2)C1,MRPMUXQEKSJLEC-UHFFFAOYSA-N
-rxn:4:184083:223958,CCN1CCN(C(=O)c2ccc(-c3ccccc3COc3c(Cl)cc(C=C4N=C(c5ccc(F)cc5)OC4=O)cc3OC)cc2F)CC1,YWDDGMCZAJZYHS-UHFFFAOYSA-N
-rxn:4:184084:226844,Cc1cccc(OCC2CCN(C(=O)OC(C)(C)C)CC2)c1-c1ccnc(C(=O)C(F)(F)F)c1,WUYDYYWFODWSAB-UHFFFAOYSA-N
-rxn:4:184087:223179,CONC(=O)c1cc(-c2ccc(CN(C(=O)C3=C(c4ccccc4)SCCO3)C3CCS(=O)(=O)C3)o2)ccc1F,NVGSYHKPCXWSTK-UHFFFAOYSA-N
-rxn:4:184093:223179,CONC(=O)c1cc(-c2ccc(C(=O)N(Cc3ccc(C(C)C)cc3)C3CCS(=O)(=O)C3)cc2)ccc1F,KNZBKKQDXDJLOG-UHFFFAOYSA-N
-rxn:4:184094:222906,CC(C)c1ccc(CN(C(=O)c2ccccc2-c2cnccc2NC(=O)OC(C)(C)C)C2CCS(=O)(=O)C2)cc1,ZZFMFSWAVUTTBJ-UHFFFAOYSA-N
-rxn:4:184094:223179,CONC(=O)c1cc(-c2ccccc2C(=O)N(Cc2ccc(C(C)C)cc2)C2CCS(=O)(=O)C2)ccc1F,VQFGJKADCSDPDC-UHFFFAOYSA-N
-rxn:4:184099:223781,CC(c1ccc(-c2ccc3ccn(S(=O)(=O)c4ccccc4)c3c2)cc1)N(C(=O)OC(C)(C)C)C1CCC(C)(C)CC1,BNQBYYILUMORTG-UHFFFAOYSA-N
-rxn:4:184099:227048,CC(C)C(=O)c1ccc(-c2ccc(C(C)N(C(=O)OC(C)(C)C)C3CCC(C)(C)CC3)cc2)cc1,SOYBOJMCZQVUNM-UHFFFAOYSA-N
-rxn:4:184099:227286,CC(c1ccc(-c2ccc(C(=O)N(C)C)cc2)cc1)N(C(=O)OC(C)(C)C)C1CCC(C)(C)CC1,KNHYPOAIMWTSEZ-UHFFFAOYSA-N
-rxn:4:184099:228506,CCCc1ccccc1-c1ccc(C(C)N(C(=O)OC(C)(C)C)C2CCC(C)(C)CC2)cc1,IOKPEVFIHXXOAC-UHFFFAOYSA-N
-rxn:4:184100:223179,CONC(=O)c1cc(-c2cc(C)cc(CN(C(=O)OC(C)(C)C)C3CCC(C)(C)CC3)c2)ccc1F,ZTVQCPUFOSVTNY-UHFFFAOYSA-N
-rxn:4:184100:223285,Cc1cc(CN(C(=O)OC(C)(C)C)C2CCC(C)(C)CC2)cc(-c2ccccc2NS(C)(=O)=O)c1,GUPHXGUOJDIBAO-UHFFFAOYSA-N
-rxn:4:184100:226844,Cc1cc(CN(C(=O)OC(C)(C)C)C2CCC(C)(C)CC2)cc(-c2ccnc(C(=O)C(F)(F)F)c2)c1,WRYDMAJFLOBQMN-UHFFFAOYSA-N
-rxn:4:184120:224321,CC1CCN(S(=O)(=O)c2cccc(-c3ccc(OCCCCN4C(=O)c5ccccc5C4=O)cc3F)c2)CC1,NNSKUOAGZLJGRK-UHFFFAOYSA-N
-rxn:4:184122:224373,COc1ccc(-c2ccc(F)c(OCCCCN3C(=O)c4ccccc4C3=O)c2)cc1S(=O)(=O)N1CCCC1,WWGUDMXORBIDQS-UHFFFAOYSA-N
-rxn:4:184181:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2ccc(CN(C(=O)OC(C)(C)C)C(C)C)c3ccccc23)cc1,ATTXTABMDTWXST-UHFFFAOYSA-N
-rxn:4:184187:226844,COC(=O)C1=CN(c2cc(OC)c(OC)c(OC)c2)c2cc(-c3ccnc(C(=O)C(F)(F)F)c3)ccc2S1(=O)=O,USBOOAORMJCQGQ-UHFFFAOYSA-N
-rxn:4:184208:226113,CC(C)CC(=O)c1ccc(-c2ccc(CN(C(=O)OC(C)(C)C)C3CCCC3)c3ccccc23)cc1,HVWZWJPVNQVAKZ-UHFFFAOYSA-N
-rxn:4:184216:223041,CC(C)(C)OC(=O)N1CCC(COc2cc(-c3cc(C(=O)NC4CC4)ccc3F)c3ccccc3c2)CC1,VAXNTTOMQCEZPM-UHFFFAOYSA-N
-rxn:4:184219:223179,CONC(=O)c1cc(-c2cc3cc(O[Si](C)(C)C(C)(C)C)ccc3n2C(=O)OC(C)(C)C)ccc1F,WIGPVLLXUZXIHI-UHFFFAOYSA-N
-rxn:4:184222:226844,CC(C)(C)OC(=O)N(Cc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)c2ccccc12)C1CCCCC1,ZRFUIXKYPDNQON-UHFFFAOYSA-N
-rxn:4:184247:223179,CONC(=O)c1cc(-c2ccc(C3c4c(oc5cc(C)c(C)cc5c4=O)C(=O)N3CCCOC(C)C)cc2)ccc1F,ZRJHMNZSQWIDCD-UHFFFAOYSA-N
-rxn:4:184247:226844,Cc1cc2oc3c(c(=O)c2cc1C)C(c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1)N(CCCOC(C)C)C3=O,MVXWNLRLDAIUNU-UHFFFAOYSA-N
-rxn:4:184421:222635,CCOC(=O)c1c(C#N)cc(-c2cccc([C@H](C)NC(=O)OC(C)(C)C)c2)cc1C(F)F,FBSWOWYKCJTGBT-AWEZNQCLSA-N
-rxn:4:184423:223958,CCOC(=O)c1cc(C#N)c(-c2ccc(C(=O)N3CCN(CC)CC3)c(F)c2)cc1C(F)F,FGWKPRVXEKJRBE-UHFFFAOYSA-N
-rxn:4:184436:224258,CCOC(=O)c1ccc(-c2ccc(C(=O)N3CCCCC3C)cc2Cl)c(C(F)F)c1C#N,YOLOCNFZZNUCKW-UHFFFAOYSA-N
-rxn:4:184607:223480,COc1cc(C(=O)C[N+](=O)[O-])cc(-c2cc(C)c(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c(C)c2)c1OC,YXYUKRVXPUDROS-UHFFFAOYSA-N
-rxn:4:184721:223529,CCOc1cc(C(=O)N(C)OC)cc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)c(F)c2)c1,PMPNWBFPILNDLM-UHFFFAOYSA-N
-rxn:4:184725:223542,CN1CCN(S(=O)(=O)c2cc(-c3ccc(CC#N)cc3OCc3ccccc3)ccc2OC(F)(F)F)CC1,DKCKVPLWNJNUEH-UHFFFAOYSA-N
-rxn:4:184745:222685,Cc1cc(F)c(NC(=O)OC(C)(C)C)cc1-c1ccc(C(=O)N2CCC2(F)F)c(OCC(F)F)c1,MUPNHKJZFMOUMG-UHFFFAOYSA-N
-rxn:4:184763:222698,COC(=O)c1ccc(-c2ccc(C(=O)N3CCC(O)CC3)c(Cl)c2)n1C(=O)OC(C)(C)C,ZDRKJWGYMNYVTH-UHFFFAOYSA-N
-rxn:4:184764:224566,COC(=O)c1cc(-c2ccc(C3(C(=O)OC)CCCC3)cc2)n(C(=O)OC(C)(C)C)c1,BODAHWKIJGZTTG-UHFFFAOYSA-N
-rxn:4:184897:223815,O=C(c1ccc(-c2ccc(Cl)c(CN3CCC4(CC3)OCCO4)c2)o1)N1CC(S(=O)(=O)Cc2ccco2)C1,NRIAAXXKNUMZJY-UHFFFAOYSA-N
-rxn:4:184906:224190,COc1ccc(-c2cccc(F)c2OCCCN2CCCC2)cc1O[Si](C)(C)C(C)(C)C,PZHLMOQBUWAGIY-UHFFFAOYSA-N
-rxn:4:184907:224283,CN(C(=O)OC(C)(C)C)C(=O)c1ccccc1-c1cnc(OC(C)(C)C)nc1OC(C)(C)C,OCSRMYMHYUJLRO-UHFFFAOYSA-N
-rxn:4:184936:222704,CCN(C(=O)OC(C)(C)C)c1cccc(-c2ccc(C3CCNCC3)c(C(F)(F)F)c2)c1,HHGNVVFOZKBXJE-UHFFFAOYSA-N
-rxn:4:184955:223835,Cc1cc(F)c(-c2ccc(OCCCN3CCOCC3)c(Cl)c2)cc1S(=O)(=O)N1CCC(C)CC1,VJLOHHVHUZMAKH-UHFFFAOYSA-N
-rxn:4:184989:224401,CC(C)COc1cc(-c2ccc(C3COCCO3)c(C(F)(F)F)c2)ccc1C(=O)N1CCC1(F)F,PUXCESQUHIYPDV-UHFFFAOYSA-N
-rxn:4:185025:222912,CC(C)CNS(=O)(=O)c1ccc(-c2ccc(OC3CN(C(=O)OC(C)(C)C)C3)cc2)cc1,FHYCNIHGKCHJOC-UHFFFAOYSA-N
-rxn:4:185030:223901,CC1CCN(CCOc2ccc(-c3ccc(OCCCN4CCC(F)(F)CC4)cc3)cc2Cl)CC1,YBKRXSWNKWCERR-UHFFFAOYSA-N
-rxn:4:185034:224486,CC(C)N(C(=O)c1cccc(-c2cccc(OC[C@@H]3CCCN(CC(F)F)C3)c2)c1)C(C)C,LKCAZTMKHQDUSS-OAQYLSRUSA-N
-rxn:4:185049:223534,CC(C)(C)OC(=O)N1CCC(Oc2cc(-c3ccc(OCCN4CCCC(C(F)(F)F)C4)cc3)c(F)cn2)CC1,SQIOQHJWYOMRAT-UHFFFAOYSA-N
-rxn:4:185067:223279,FC(F)(F)COc1c(CN2CCC(F)(F)CC2)cccc1-c1cnc(C2CCCN2)nc1,ZRPLLQRYAGGYGB-UHFFFAOYSA-N
-rxn:4:185108:223810,Cc1cc(-c2cc(S(=O)(=O)N3CCCC3)ccc2OCC2CC2)cc(C)c1S(=O)(=O)N1CCC(C)CC1,DRFIGLZSGRKROG-UHFFFAOYSA-N
-rxn:4:185111:224321,COC(=O)C1CCN(C(=O)Cc2ccc(F)cc2-c2cccc(S(=O)(=O)N3CCC(C)CC3)c2)CC1,DVAHTMWLCMSMKP-UHFFFAOYSA-N
-rxn:4:185116:223180,CONC(=O)c1ccc(-c2ccccc2S(=O)(=O)CC(=O)N2CCC(C(F)(F)F)CC2)cc1F,FCCONTFCYKTXIN-UHFFFAOYSA-N
-rxn:4:185116:223279,O=C(CS(=O)(=O)c1ccccc1-c1cnc(C2CCCN2)nc1)N1CCC(C(F)(F)F)CC1,SYNZFGGORLFLKK-UHFFFAOYSA-N
-rxn:4:185126:223835,Cc1cc(F)c(-c2cccc([N+](=O)[O-])c2CO[Si](C)(C)C(C)(C)C)cc1S(=O)(=O)N1CCC(C)CC1,DBNFRTZVQWQHOC-UHFFFAOYSA-N
-rxn:4:185144:223002,CCOC(=O)C1CCN(S(=O)(=O)c2ccc(-c3ccc(C4CCNCC4)cc3F)cc2)CC1,LAOJXIRRSOLEFA-UHFFFAOYSA-N
-rxn:4:185146:223179,CONC(=O)c1cc(-c2c(C(=O)N3CCOCC3)cc(OC)c(OC)c2OC)ccc1F,TVORNGLBEFGXAS-UHFFFAOYSA-N
-rxn:4:185150:223179,CONC(=O)c1cc(-c2ccccc2S(=O)(=O)C2CN(C(=O)OC(C)(C)C)C2)ccc1F,ZNIGLZGVRIZTDH-UHFFFAOYSA-N
-rxn:4:185154:226091,CCCCOc1ccc(C)cc1-c1ccc(C(=O)OC)c(CN2CCCC(C(F)(F)F)C2)c1,ATDXTSQIQZSCGG-UHFFFAOYSA-N
-rxn:4:185155:223279,COC(=O)c1ccc(-c2cnc(C3CCCN3)nc2)cc1CN1CCC(C(F)(F)F)CC1,ZNNCGTKUYJUBGL-UHFFFAOYSA-N
-rxn:4:185159:223279,COC(=O)c1cc(CN2CCCC(C(F)(F)F)C2)cc(-c2cnc(C3CCCN3)nc2)c1,STQVCQJNIZSYKZ-UHFFFAOYSA-N
-rxn:4:185160:223179,CONC(=O)c1cc(-c2ccc(C(=O)OC)cc2CN2CCCC(C(F)(F)F)C2)ccc1F,WGRREYGVVGGIFA-UHFFFAOYSA-N
-rxn:4:185173:222621,Cc1cc(OC2CN(C(=O)Cc3ccc(-c4cc(CC(C)C)nc(C5CCCNC5)c4)cc3)C2)cc(=O)o1,WHIKBHHVQXZHFC-UHFFFAOYSA-N
-rxn:4:185209:226844,CCOc1cccc(-c2ccnc(C(=O)C(F)(F)F)c2)c1CN1CCC(C(F)(F)F)CC1,HSYFNYBDBXVDFE-UHFFFAOYSA-N
-rxn:4:185210:223099,CCOc1cccc(-c2cccc(NC(=O)C(F)(F)F)c2)c1CN1CCCC(C(F)(F)F)C1,AXRVWTKVGTUGAW-UHFFFAOYSA-N
-rxn:4:185224:226844,COc1cc(-c2ccnc(C(=O)C(F)(F)F)c2)cc(OC)c1C(=O)N1CCC(C(F)(F)F)CC1,ZLBDGJDAGXTJQU-UHFFFAOYSA-N
-rxn:4:185225:223179,CONC(=O)c1cc(-c2cc(OC)c(C(=O)N3CCCC(C(F)(F)F)C3)c(OC)c2)ccc1F,WWMBMWJGDYVLEU-UHFFFAOYSA-N
-rxn:4:185225:224059,COc1cc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2OC)cc(OC)c1C(=O)N1CCCC(C(F)(F)F)C1,BQTTZEOFSDJJJX-UHFFFAOYSA-N
-rxn:4:185226:223179,CONC(=O)c1cc(-c2cc(OC)c(C(=O)N3CCCCC3C(F)(F)F)c(OC)c2)ccc1F,SDEZQRBAWCQTOL-UHFFFAOYSA-N
-rxn:4:185236:226844,COc1cc(C=C2N=C(c3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3)OC2=O)cc(Cl)c1OC(C)=O,NNSPQTXPGCRVRQ-UHFFFAOYSA-N
-rxn:4:185241:225213,CN1CCN(c2ccc(-c3cccc(CN4CCCCC4)c3OCC3CC3)c(Cl)c2)CC1,AADPGUOSYJFXGS-UHFFFAOYSA-N
-rxn:4:185244:223179,CONC(=O)c1cc(-c2cccc(C(=O)N(CC(C)C)C3CCS(=O)(=O)C3)c2)ccc1F,AMSKRBZMWSBNAR-UHFFFAOYSA-N
-rxn:4:185248:224255,COc1cc(-c2cc(F)cc(C(=O)N3CCCC(C)C3)c2)cc(OC)c1CN1CCCC(C(F)(F)F)C1,PPZXNFOFQRIUCJ-UHFFFAOYSA-N
-rxn:4:185259:225752,COC(=O)c1cnc(C(C)C)c(-c2cc(C(C)C)ccc2OCC(=O)N2CCCCC2)c1,CYGMKQNBZJBXJJ-UHFFFAOYSA-N
-rxn:4:185264:223279,CC(C)(C)OC(=O)CN1CC(c2ccc(-c3cnc(C4CCCN4)nc3)cc2)OCC1=O,RPFKMMZNGCJTAL-UHFFFAOYSA-N
-rxn:4:185264:226844,CC(C)(C)OC(=O)CN1CC(c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2)OCC1=O,MVAXQJJLIRPWSQ-UHFFFAOYSA-N
-rxn:4:185267:223279,CCOC(=O)C1CCN(S(=O)(=O)c2cc(C)cc(-c3cnc(C4CCCN4)nc3)c2)CC1,COSMBLATRCLSPV-UHFFFAOYSA-N
-rxn:4:185268:223179,CONC(=O)c1cc(-c2cccc(S(=O)(=O)C3CCN(C(=O)OC(C)(C)C)C3)c2)ccc1F,HMFMSBSNEYYWPD-UHFFFAOYSA-N
-rxn:4:185268:223279,CC(C)(C)OC(=O)N1CCC(S(=O)(=O)c2cccc(-c3cnc(C4CCCN4)nc3)c2)C1,TUGGYLXXQFREAG-UHFFFAOYSA-N
-rxn:4:185270:223279,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3cnc(C4CCCN4)nc3)cc2C(F)(F)F)C1,WMCQLBGQZSZCSA-UHFFFAOYSA-N
-rxn:4:185290:224746,CC(=O)N1CCN(c2ccc(-c3cccc(CN(C(=O)c4ccc(F)cc4)C4CCS(=O)(=O)C4)c3)cn2)CC1,YWACRNAMAIXANO-UHFFFAOYSA-N
-rxn:4:185299:223179,CONC(=O)c1cc(-c2cc(C=C3SC(=O)N(Cc4ccc(F)cc4)C3=O)cc(OC)c2OC)ccc1F,OCVDAVWTHPTCIO-UHFFFAOYSA-N
-rxn:4:185299:226492,COCCOc1ccc(Cl)c(-c2cc(C=C3SC(=O)N(Cc4ccc(F)cc4)C3=O)cc(OC)c2OC)c1,QQPKJAPXRVTOGF-UHFFFAOYSA-N
-rxn:4:185302:223179,CCN(C1CCCCC1)S(=O)(=O)c1cc(-c2ccc(F)c(C(=O)NOC)c2)ccc1OC,LCFKPYJGMRKFRH-UHFFFAOYSA-N
-rxn:4:185303:223179,CCOc1ccc(-c2ccc(F)c(C(=O)NOC)c2)cc1S(=O)(=O)N(C)C1CCCCC1,SRWYTFCLWQXYFG-UHFFFAOYSA-N
-rxn:4:185305:223179,CCOc1cc(S(=O)(=O)N2CCCCC2CC)ccc1-c1ccc(F)c(C(=O)NOC)c1,DSIAGCWFTDWRPP-UHFFFAOYSA-N
-rxn:4:185307:226844,CCCOc1cc(S(=O)(=O)N2CCCC(C)C2)ccc1-c1ccnc(C(=O)C(F)(F)F)c1,FVAHYUAKUYSKLI-UHFFFAOYSA-N
-rxn:4:185312:223179,CONC(=O)c1cc(-c2ccc(C3CCCN3C(=O)OC(C)(C)C)c(OC)c2)ccc1F,HIYMMOILIQMRNU-UHFFFAOYSA-N
-rxn:4:185316:223042,CC(C)NC(=O)c1ccc(-c2ccc(C3CN(C(=O)OC(C)(C)C)C3)cc2C2CC2)cc1Cl,OBXBAAPMGMTRQN-UHFFFAOYSA-N
-rxn:4:185316:223179,CONC(=O)c1cc(-c2ccc(C3CN(C(=O)OC(C)(C)C)C3)cc2C2CC2)ccc1F,IPWFZFIHXJGQJV-UHFFFAOYSA-N
-rxn:4:185316:226844,CC(C)(C)OC(=O)N1CC(c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)c(C3CC3)c2)C1,INBHOURDTNPTNV-UHFFFAOYSA-N
-rxn:4:185317:223179,CONC(=O)c1cc(-c2cc(C3CN(C(=O)OC(C)(C)C)C3)ccc2C2CC2)ccc1F,BVVBAAOMTAVWRE-UHFFFAOYSA-N
-rxn:4:185321:223179,CONC(=O)c1cc(-c2cc(OC3CCN(C(=O)OC(C)(C)C)CC3)ccc2Cl)ccc1F,XEVJKROYYFLADK-UHFFFAOYSA-N
-rxn:4:185322:223179,CONC(=O)c1cc(-c2ccc(Cl)c(OC3CCN(C(=O)OC(C)(C)C)CC3)c2)ccc1F,PZCSLTROBLQTOS-UHFFFAOYSA-N
-rxn:4:185322:223279,CC(C)(C)OC(=O)N1CCC(Oc2cc(-c3cnc(C4CCCN4)nc3)ccc2Cl)CC1,KGABACBPMTXTOD-UHFFFAOYSA-N
-rxn:4:185340:224367,CC(C)COc1cc(-c2ccc(OCc3ccccc3)c(C(=O)N3CCC(F)(F)CC3)c2)ccc1OC(F)(F)F,QOVJEFKKAYEEDD-UHFFFAOYSA-N
-rxn:4:185343:222857,COc1cc(-c2cccc(N3C(=O)C(=Cc4cc(OC)c(OC)c(OC)c4)SC3=S)c2)cc(C2CCNCC2)c1,AZDOPYOEEYTBHB-UHFFFAOYSA-N
-rxn:4:185347:223179,CCC1CCCCN1S(=O)(=O)c1cc(OC)c(-c2ccc(F)c(C(=O)NOC)c2)cc1OC,WVNDURHFFCGJMN-UHFFFAOYSA-N
-rxn:4:185349:223179,CONC(=O)c1cc(-c2cc(OC)c(S(=O)(=O)N(C)C3CCCCC3)cc2OC)ccc1F,QZTGWPKKNLXPNZ-UHFFFAOYSA-N
-rxn:4:185349:223279,COc1cc(S(=O)(=O)N(C)C2CCCCC2)c(OC)cc1-c1cnc(C2CCCN2)nc1,IEFNHXKCZXZYNP-UHFFFAOYSA-N
-rxn:4:185349:226844,COc1cc(S(=O)(=O)N(C)C2CCCCC2)c(OC)cc1-c1ccnc(C(=O)C(F)(F)F)c1,AKQLRWCKHVRSSI-UHFFFAOYSA-N
-rxn:4:185350:224076,CC(C)CS(=O)(=O)C1CCN(C(=O)c2cccc(-c3ccc4c(ccn4[Si](C)(C)C(C)(C)C)c3)c2)CC1,GXIYQXKFGDFSEK-UHFFFAOYSA-N
-rxn:4:185351:226844,CC(C)CS(=O)(=O)C1CCN(C(=O)c2ccccc2-c2ccnc(C(=O)C(F)(F)F)c2)CC1,VQIFTDKUGSOOMV-UHFFFAOYSA-N
-rxn:4:185352:224420,Cc1cc2c(cc1-c1ccc(C(=O)C3CCN(C(=O)OC(C)(C)C)CC3)cc1)C(C)(C)CCC2(C)C,GOQXFBKUURBAJR-UHFFFAOYSA-N
-rxn:4:185353:226172,Cc1ccc(N2CCCC2)cc1-c1ccc(CC(=O)N2CCC(S(=O)(=O)C(C)(C)C)C2)cc1,SQXSIBIJDMKQSM-UHFFFAOYSA-N
-rxn:4:185356:223179,CONC(=O)c1cc(-c2ccc(F)c(C(=O)C3CCN(C(=O)OC(C)(C)C)CC3)c2)ccc1F,UOKWXTBRTZNSDC-UHFFFAOYSA-N
-rxn:4:185358:223179,CONC(=O)c1cc(-c2cccc(C(=O)C3CCN(C(=O)OC(C)(C)C)CC3)c2F)ccc1F,DGDRHLCTUZMHDA-UHFFFAOYSA-N
-rxn:4:185364:226844,CC(C)N1C(=O)C(=Cc2cc(-c3ccnc(C(=O)C(F)(F)F)c3)ccc2OCc2ccc(Cl)cc2)SC1=S,BKAZGSNVQGVOJX-UHFFFAOYSA-N
-rxn:4:185365:226844,COc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)c(C(=O)N2CCOC(c3ccc(C(F)(F)F)cc3)C2)c1,NZANVEGRYFHEMJ-UHFFFAOYSA-N
-rxn:4:185369:223179,CONC(=O)c1cc(-c2cccc(C(=O)N3CCCCC3CSC(C)(C)C)c2)ccc1F,IHHOFTDCKMFYJL-UHFFFAOYSA-N
-rxn:4:185371:223562,CC(C)(C)OC(=O)N1CCC(Cc2ccc(-c3ccc(CC4CCN(C(=O)OC(C)(C)C)CC4)cc3)cc2)CC1,OCQJDUVFKJIEFT-UHFFFAOYSA-N
-rxn:4:185371:224484,CC(C)N(C(=O)c1ccccc1-c1ccc(CC2CCN(C(=O)OC(C)(C)C)CC2)cc1)C(C)C,WHHNGCCLRRVBBP-UHFFFAOYSA-N
-rxn:4:185372:226844,CCOC(=O)C1CCN(S(=O)(=O)c2cc(C)c(C)cc2-c2ccnc(C(=O)C(F)(F)F)c2)CC1,JBUUEKCMMCVYNT-UHFFFAOYSA-N
-rxn:4:185376:226844,CC(C)CS(=O)(=O)C1CCCN(S(=O)(=O)c2ccccc2-c2ccnc(C(=O)C(F)(F)F)c2)C1,FQCGSAIJHFBNAC-UHFFFAOYSA-N
-rxn:4:185377:226844,CC(C)(C)OC(=O)N1CCC(S(=O)(=O)c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2)CC1,YADCMTRKLCZMPU-UHFFFAOYSA-N
-rxn:4:185380:223279,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3cnc(C4CCCN4)nc3)cc2)(C(F)(F)F)CC1,JIIMEWYJIWNAGC-UHFFFAOYSA-N
-rxn:4:185381:223279,CC(C)(C)OC(=O)N1CCCC(c2cc(-c3cnc(C4CCCN4)nc3)cc(C(F)(F)F)c2)C1,NZWIIGWBKQKBTB-UHFFFAOYSA-N
-rxn:4:185383:223279,CC(C)(C)OC(=O)N1CCC(c2cc(-c3cnc(C4CCCN4)nc3)cc(C(F)(F)F)c2)CC1,NQMVXALSDVDJQY-UHFFFAOYSA-N
-rxn:4:185383:226844,CC(C)(C)OC(=O)N1CCC(c2cc(-c3ccnc(C(=O)C(F)(F)F)c3)cc(C(F)(F)F)c2)CC1,CVUYJIKRNKSJPE-UHFFFAOYSA-N
-rxn:4:185384:226844,CC(C)(C)OC(=O)N1CCCC(c2cc(C(F)(F)F)ccc2-c2ccnc(C(=O)C(F)(F)F)c2)C1,OGNORGCTVVDHCX-UHFFFAOYSA-N
-rxn:4:185386:223179,CONC(=O)c1cc(-c2cc(C3CCCN(C(=O)OC(C)(C)C)C3)ccc2C(F)(F)F)ccc1F,JYPPEJLGZAOXSX-UHFFFAOYSA-N
-rxn:4:185402:223179,CCCOc1ccc(-c2ccc(F)c(C(=O)NOC)c2)cc1S(=O)(=O)N1CC(C)CC(C)C1,UHNMCKMDNCVENB-UHFFFAOYSA-N
-rxn:4:185403:223179,CONC(=O)c1cc(-c2cc(OC)cc(C3CCCN(C(=O)OC(C)(C)C)C3)c2)ccc1F,AXTUWQAQAYNVSO-UHFFFAOYSA-N
-rxn:4:185405:223179,CONC(=O)c1cc(-c2cc(C3CC3)ccc2C2CCN(C(=O)OC(C)(C)C)C2)ccc1F,FHWRMOCVNOQLAM-UHFFFAOYSA-N
-rxn:4:185406:223179,CONC(=O)c1cc(-c2cc(OC)cc(C3CCN(C(=O)OC(C)(C)C)CC3)c2)ccc1F,MRZAKWJOMAKXEH-UHFFFAOYSA-N
-rxn:4:185408:226844,CC(C)(C)OC(=O)N1CCC(c2cc(-c3ccnc(C(=O)C(F)(F)F)c3)ccc2C2CC2)C1,UCTSCLNVJHRTSW-UHFFFAOYSA-N
-rxn:4:185410:223179,CONC(=O)c1cc(-c2ccc(C3CCN(C(=O)OC(C)(C)C)C3)cc2C2CC2)ccc1F,NZXJPKQPXZPJFA-UHFFFAOYSA-N
-rxn:4:185412:223279,CC(C)(C)OC(=O)N1CCC(c2ccc(C3CC3)c(-c3cnc(C4CCCN4)nc3)c2)C1,RVQPNIPTAMBAHE-UHFFFAOYSA-N
-rxn:4:185413:223179,CONC(=O)c1cc(-c2cc(C3CCCN(C(=O)OC(C)(C)C)C3)ccc2OC)ccc1F,QFCKKVMZMCXFAD-UHFFFAOYSA-N
-rxn:4:185413:223279,COc1ccc(C2CCCN(C(=O)OC(C)(C)C)C2)cc1-c1cnc(C2CCCN2)nc1,CTGWLQVNYVPQJS-UHFFFAOYSA-N
-rxn:4:185414:223279,Cc1cc(Cl)cc(-c2cnc(C3CCCN3)nc2)c1OC1CCN(C(=O)OC(C)(C)C)CC1,WXFWUQIOAFADFS-UHFFFAOYSA-N
-rxn:4:185420:223279,CC(C)(C)OC(=O)N1CCOC(c2cc(C3CC3)ccc2-c2cnc(C3CCCN3)nc2)C1,ONPKSCXTNXSPFP-UHFFFAOYSA-N
-rxn:4:185421:223179,CONC(=O)c1cc(-c2ccc(C3CN(C(=O)OC(C)(C)C)CCO3)cc2C2CC2)ccc1F,ZSTWBIIARRWETC-UHFFFAOYSA-N
-rxn:4:185422:223179,CONC(=O)c1cc(-c2ccc(C3CN(C(=O)OC(C)(C)C)CCO3)c(C3CC3)c2)ccc1F,AUELDEMRHBDWIW-UHFFFAOYSA-N
-rxn:4:185423:226844,CC(C)(C)OC(=O)N1CCOC(c2cc(-c3ccnc(C(=O)C(F)(F)F)c3)cc(C3CC3)c2)C1,QZOJSNFANPEJMQ-UHFFFAOYSA-N
-rxn:4:185424:223179,CONC(=O)c1cc(-c2cc(C3CC3)ccc2C2CN(C(=O)OC(C)(C)C)CCO2)ccc1F,JMVUDOUYWUJVBP-UHFFFAOYSA-N
-rxn:4:185424:223279,CC(C)(C)OC(=O)N1CCOC(c2ccc(C3CC3)cc2-c2cnc(C3CCCN3)nc2)C1,FGVJFWMAUPSSFM-UHFFFAOYSA-N
-rxn:4:185430:223179,CONC(=O)c1cc(-c2cc(C3CCN(C(=O)OC(C)(C)C)CC3C)cc(C(F)(F)F)c2)ccc1F,LBPNPTWKDLUYPY-UHFFFAOYSA-N
-rxn:4:185434:223179,CONC(=O)c1cc(-c2cc(OC)cc(C3CCN(C(=O)OC(C)(C)C)CC3C)c2)ccc1F,WKJKMBQGIOYYNM-UHFFFAOYSA-N
-rxn:4:185434:226844,COc1cc(-c2ccnc(C(=O)C(F)(F)F)c2)cc(C2CCN(C(=O)OC(C)(C)C)CC2C)c1,LRINRLPYZGDLBF-UHFFFAOYSA-N
-rxn:4:185434:228086,COc1cc(-c2cccc(OCC#N)c2)cc(C2CCN(C(=O)OC(C)(C)C)CC2C)c1,BCYAXUCKQUHUSU-UHFFFAOYSA-N
-rxn:4:185435:223179,CONC(=O)c1cc(-c2ccc(N(C(=O)c3ccc(C(C)(C)C)cc3)C3C=CS(=O)(=O)C3)cc2)ccc1F,GYTWDLCRQGAOOI-UHFFFAOYSA-N
-rxn:4:185441:226844,CC(C)(C)OC(=O)N1CCC(c2ccc(Cl)cc2)(c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2)CC1,RIVFBLSHZJVLDD-UHFFFAOYSA-N
-rxn:4:185442:226909,CCC/C=C/c1ccc(-c2cc(C3COC3)cc(C3CCN(C(=O)OC(C)(C)C)CC3C)c2)cc1,GNRLNVKKDGZNDO-CMDGGOBGSA-N
-rxn:4:185448:223179,CONC(=O)c1cc(-c2cc(C3CCOCC3)cc(C3CCN(C(=O)OC(C)(C)C)CC3)c2)ccc1F,ARISMCOEXUACSX-UHFFFAOYSA-N
-rxn:4:185448:226844,CC(C)(C)OC(=O)N1CCC(c2cc(-c3ccnc(C(=O)C(F)(F)F)c3)cc(C3CCOCC3)c2)CC1,ZHBVFMMMHXTNNO-UHFFFAOYSA-N
-rxn:4:185510:226844,COC(=O)c1cc(-c2ccnc(C(=O)C(F)(F)F)c2)cc2c1N(C(=O)OC(C)(C)C)CC2,SHNSFTHSARJGKX-UHFFFAOYSA-N
-rxn:4:185534:223279,COC(=O)C1CN(C(=O)OC(C)(C)C)Cc2ccc(-c3cnc(C4CCCN4)nc3)cc21,DYOHJVHGVAMVDY-UHFFFAOYSA-N
-rxn:4:185543:223179,CONC(=O)c1cc(-c2ccc3c(c2)CCOC3CN(C)C(=O)OC(C)(C)C)ccc1F,WWLMHNBSJGPBRT-UHFFFAOYSA-N
-rxn:4:185543:225106,CCN(CC)C(=O)c1ccc(-c2ccc3c(c2)CCOC3CN(C)C(=O)OC(C)(C)C)cc1Cl,DSIAHCPNDGAPGK-UHFFFAOYSA-N
-rxn:4:185544:226844,COC1CC2CCC(C1)N2C(=O)CCc1ccccc1-c1ccnc(C(=O)C(F)(F)F)c1,NKPNDGWFIHEAQG-UHFFFAOYSA-N
-rxn:4:185557:223036,CC(C)(C)OC(=O)n1ccc2c(OC(C)(C)C)c(F)cc(-c3ccc(NC(=O)C(C)(C)C)nc3)c21,CLCKITSHZVOEFV-UHFFFAOYSA-N
-rxn:4:185567:226020,CS(=O)(=O)C1CC2CCC(C1)N2C(=O)CCc1ccccc1-c1ccc(OC(F)(F)C(F)F)cc1,ZQILKBDRLRMICU-UHFFFAOYSA-N
-rxn:4:185571:223279,O=C(C1COc2ccccc2O1)N(Cc1ccc(-c2cnc(C3CCCN3)nc2)o1)C1CCS(=O)(=O)C1,NNOYVABCIJNTJZ-UHFFFAOYSA-N
-rxn:4:185613:223179,CONC(=O)c1cc(-c2cc(CCC(=O)N3CCC4(CC3)OC(=O)c3ccccc34)ccc2OC)ccc1F,LVQVGXHLMZOJSN-UHFFFAOYSA-N
-rxn:4:185614:223179,CONC(=O)c1cc(-c2cc(CCC(=O)N3CCCC4(C3)OC(=O)c3ccccc34)ccc2OC)ccc1F,NZXRKVYSLADHTF-UHFFFAOYSA-N
-rxn:4:185614:224830,COc1ccc(CCC(=O)N2CCCC3(C2)OC(=O)c2ccccc23)cc1-c1cc(C(F)(F)F)nn1C1CCCCO1,AVCRILWTFGTOMX-UHFFFAOYSA-N
-rxn:4:185614:226844,COc1ccc(CCC(=O)N2CCCC3(C2)OC(=O)c2ccccc23)cc1-c1ccnc(C(=O)C(F)(F)F)c1,KOKQJZSAZAQLDU-UHFFFAOYSA-N
-rxn:4:185636:224307,CC(C)(C)[Si](C)(C)Oc1cc(F)c(-c2ccc(C(=O)COC(=O)c3c4c(nc5ccccc35)CCCC4)cc2)c(F)c1,IFXZSEVOKBAYMC-UHFFFAOYSA-N
-rxn:4:185648:223279,O=C(C1CCCCC1)N(c1ccc2oc3c(c2c1)CCCC3)S(=O)(=O)c1ccc(-c2cnc(C3CCCN3)nc2)cc1,WPUNWZWRQDHQHT-UHFFFAOYSA-N
-rxn:4:186065:223559,COC(=O)Cc1cc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)c(OC)cn1,WKFQJUBATUUFKC-UHFFFAOYSA-N
-rxn:4:186130:224203,COc1cc(C(=O)N2CCCCC2)ccc1-c1cc([N+](=O)[O-])c(C)cc1OCC(F)(F)F,NHHJFWRQJOYTDU-UHFFFAOYSA-N
-rxn:4:186407:224819,CN(C)S(=O)(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1OC(F)(F)F,FRYHUHBZBKPUIB-UHFFFAOYSA-N
-rxn:4:186461:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2cc(OCC3CC3)c([N+](=O)[O-])cc2C)CC1,KBGKJOBZUJSBMG-UHFFFAOYSA-N
-rxn:4:186814:223663,O=S(=O)(c1cc(-c2cc(OCc3ccccc3)cc(OC(F)(F)F)c2)ccc1OC(F)(F)F)N1CCCC1,LWVKXRLKVNCBMU-UHFFFAOYSA-N
-rxn:4:186895:222827,COc1cc(-c2cc(F)c(S(=O)(=O)NC3CC3)cc2F)cc(C#N)c1OC1CCOCC1,WBGPCBZIYODNQH-UHFFFAOYSA-N
-rxn:4:186895:224369,CCN(CC)S(=O)(=O)c1cc(-c2cc(C#N)c(OC3CCOCC3)c(OC)c2)c(F)cc1C,SJOYOEQDMSCUFO-UHFFFAOYSA-N
-rxn:4:187000:224421,COC(=O)C1CCN(S(=O)(=O)c2ccc(-c3c(C(C)C)cc(C(C)C)cc3C(C)C)cc2)C1,URRPLILQCTZNPU-UHFFFAOYSA-N
-rxn:4:187001:223595,COc1cc(-c2cncc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)c(F)c3)c2)cc(OC)c1OC,FTJDPTXKTVYGOT-UHFFFAOYSA-N
-rxn:4:187005:223598,O=C(COc1cccc(-c2ccc(OCCN3CCC4(CC3)OCCO4)c(F)c2)c1)N1CCC(F)(F)CC1,XRGWJMSXXSKOJY-UHFFFAOYSA-N
-rxn:4:187012:224249,CC1CCCN(C(=O)c2ccc(F)c(-c3ccc(C(=O)N4CCCCC4)cc3OC(F)(F)F)c2)C1,AKFKKKCKZMCPHM-UHFFFAOYSA-N
-rxn:4:187023:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2cc(OC(F)F)cc(C(=O)N3CCC(F)(F)CC3)c2)cc1,MAZLQOFQVWZEGP-UHFFFAOYSA-N
-rxn:4:187127:222915,O=C(NC1=NCCS1)c1ccc(-c2ccc(S(=O)(=O)CC(=O)N3CCCCC3)cc2)cc1,UWCSPVOHIZCJMW-UHFFFAOYSA-N
-rxn:4:187134:225270,CCCOc1ccc(-c2ccc(OC)c(C(=O)N3CCOCC3)c2OC)cc1C(F)(F)F,KOCXTNZKZCDFHT-UHFFFAOYSA-N
-rxn:4:187142:223179,CCN1C(=O)C(=Cc2cc(OC)c(OC)cc2-c2ccc(F)c(C(=O)NOC)c2)SC1=S,HTMIAGWOPWZXJQ-UHFFFAOYSA-N
-rxn:4:187188:224681,CCOC(=O)c1ccc(N2CCCC2C)c(-c2ccc(C(=O)N3CCCCC3)c(F)c2)c1,XJHSTKKBYOYVOY-UHFFFAOYSA-N
-rxn:4:187198:222521,COC(=O)c1cc(CN2CCCCC2)cc(-c2cc(NC(=O)OC(C)(C)C)cc(C(F)(F)F)c2)c1,VLTOWASBDWQXLO-UHFFFAOYSA-N
-rxn:4:187222:222945,CC(C)NS(=O)(=O)c1ccc(-c2ccc(F)cc2C2CN(C(=O)OC(C)(C)C)C2)cc1F,RXTHWAPWRFJVRF-UHFFFAOYSA-N
-rxn:4:187290:223784,CCN1CCN(CCOc2ccc(-c3ccccc3OCCN3CCC(C)CC3)cc2F)CC1,QYNYIIFNYXRFFS-UHFFFAOYSA-N
-rxn:4:187307:225269,COC(=O)c1ccc(-c2cc([N+](=O)[O-])c(C)cc2OCC2CCCCC2)c(C(=O)OC)c1,HIRYFLCJSJTIKM-UHFFFAOYSA-N
-rxn:4:187319:224952,CC(C)Oc1cccc(-c2cccc(CCN3CCOCC3)c2)c1CN1CCC(F)(F)C1,WYVXGRNELFYOLS-UHFFFAOYSA-N
-rxn:4:187327:223179,CONC(=O)c1cc(-c2cccc([C@H]3COS(=O)(=O)N3C(=O)OC(C)(C)C)c2)ccc1F,BXQYIMNQQKUJKP-GOSISDBHSA-N
-rxn:4:187330:223533,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc(C(=O)c4ccc(CN5CC=CC5)cc4)cc3)c(F)c2)CC1,XBNRWIPHAZUJOR-UHFFFAOYSA-N
-rxn:4:187353:224190,COc1ccc(-c2coc([Si](C(C)C)(C(C)C)C(C)C)n2)cc1O[Si](C)(C)C(C)(C)C,HNLPSZTVYLLOFU-UHFFFAOYSA-N
-rxn:4:187378:225434,CC1CCCN(C(=O)CS(=O)(=O)c2ccccc2-c2cccc(OCC3CCCC3)c2)C1,AONKNSKTOSIUTG-UHFFFAOYSA-N
-rxn:4:187406:222827,Cc1cc(-c2cc(F)c(S(=O)(=O)NC3CC3)cc2F)ccc1OCC(=O)N1CCC(C)CC1,WQXXFBKEXDGBII-UHFFFAOYSA-N
-rxn:4:187411:224807,CCN(C1CCCCC1)S(=O)(=O)c1ccc(-c2cc(C(F)(F)F)cc(OC(C)C)c2F)cc1,AHXDJARTZIPUKY-UHFFFAOYSA-N
-rxn:4:187417:224589,CC1CCN(Cc2cc(F)ccc2-c2ccccc2C2CCN(C(=O)OC(C)(C)C)C2)CC1,CEIUMMVIRCGPAR-UHFFFAOYSA-N
-rxn:4:187421:224847,Cc1ccc(C2CN(C(=O)OC(C)(C)C)C2)cc1-c1cc(C(C)(C)C)ccc1C(C)(C)C,SNUKBEOFSYONEL-UHFFFAOYSA-N
-rxn:4:187440:222945,CC(C)NS(=O)(=O)c1ccc(-c2coc(C3CCCN(C(=O)OC(C)(C)C)C3)c2)cc1F,QGXYSBOFBAWAGZ-UHFFFAOYSA-N
-rxn:4:187443:223021,COCCNC(=O)c1cccc(-c2ccc(OCC(=O)N3C(C)CCCC3C)c(Cl)c2)c1,OOZWVPVPNWNOQB-UHFFFAOYSA-N
-rxn:4:187474:223928,CC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2cnc3c(c2)CN(C(=O)OC(C)(C)C)CC3)c1,CLOMJUSVWQUAMV-UHFFFAOYSA-N
-rxn:4:187479:224566,CCOc1cccc(-c2ccc(C3(C(=O)OC)CCCC3)cc2)c1CN1CCC(C)CC1,IKBSWEMBDBHXLQ-UHFFFAOYSA-N
-rxn:4:187488:223867,CCOc1ccc(-c2cccc(OCCCN3CCC(C)CC3)c2)cc1S(=O)(=O)N1CCC(C)CC1,MWAFDRINPRIRAE-UHFFFAOYSA-N
-rxn:4:187532:224414,O=C(c1ccc(-c2ccc(C(F)(F)C(F)(F)C(F)(F)F)nc2)cc1F)c1ccccc1CN1CCSCC1,XIJLFLPCONQACI-UHFFFAOYSA-N
-rxn:4:187537:223279,O=S(=O)(c1cc(-c2cnc(C3CCCN3)nc2)ccc1OC(F)(F)F)N1CCC2(CC1)OCCO2,JXEMGVICZYUVFO-UHFFFAOYSA-N
-rxn:4:187545:224957,CCN(C(=O)c1cccc(C)c1-c1ccccc1O[Si](C)(C)C(C)(C)C)C1CCCCC1,HNLTVMHYXUPAGH-UHFFFAOYSA-N
-rxn:4:187550:226844,COc1cc(S(=O)(=O)N2CCCCCC2)c(OC)cc1-c1ccnc(C(=O)C(F)(F)F)c1,XMANAVPRUNVSAQ-UHFFFAOYSA-N
-rxn:4:187551:223179,CONC(=O)c1cc(-c2cc(OC)c(S(=O)(=O)N3CCCCC3C)cc2OC)ccc1F,KWAAHKHWUIAADF-UHFFFAOYSA-N
-rxn:4:187551:226844,COc1cc(S(=O)(=O)N2CCCCC2C)c(OC)cc1-c1ccnc(C(=O)C(F)(F)F)c1,BQAGUVWVSXUDBV-UHFFFAOYSA-N
-rxn:4:187552:223179,CCOc1ccc(-c2ccc(F)c(C(=O)NOC)c2)cc1S(=O)(=O)N1CC(C)OC(C)C1,ZWEBYWGRXVLXOH-UHFFFAOYSA-N
-rxn:4:187552:226844,CCOc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1S(=O)(=O)N1CC(C)OC(C)C1,PWXGXOPUPPORHA-UHFFFAOYSA-N
-rxn:4:187557:222912,CC(C)CNS(=O)(=O)c1ccc(-c2ccc([C@H]3CCCC(=O)N3C(=O)OC(C)(C)C)cc2)cc1,FGUIQLHDXBRTLX-HSZRJFAPSA-N
-rxn:4:187557:223179,CONC(=O)c1cc(-c2ccc([C@H]3CCCC(=O)N3C(=O)OC(C)(C)C)cc2)ccc1F,JLXQRICBIXZJCE-HXUWFJFHSA-N
-rxn:4:187558:226844,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2)C(=O)C1,OQKHBPGAPSQAAC-UHFFFAOYSA-N
-rxn:4:187561:224420,Cc1cc2c(cc1-c1ccc(Cl)c(C(=O)N3CCC(S(=O)(=O)C(C)(C)C)C3)c1)C(C)(C)CCC2(C)C,DOYKNEHHSTYBAD-UHFFFAOYSA-N
-rxn:4:187561:226844,CC(C)(C)S(=O)(=O)C1CCN(C(=O)c2cc(-c3ccnc(C(=O)C(F)(F)F)c3)ccc2Cl)C1,DNBXRQKUXHIMSZ-UHFFFAOYSA-N
-rxn:4:187566:224377,Cc1ccc(S(=O)(=O)N(c2ccc(-c3ccc(S(=O)(=O)N4CCN(C)CC4)cc3)cc2)C2C=CS(=O)(=O)C2)cc1,QSGIWQJCTOJMBL-UHFFFAOYSA-N
-rxn:4:187583:224758,CC(C)(C)OC(=O)N1CCC(c2cc(-c3ccc(C(=O)N4CCOCC4)c(Cl)c3)ccc2Cl)CC1,MBIIQMJHOVHSFV-UHFFFAOYSA-N
-rxn:4:187583:226844,CC(C)(C)OC(=O)N1CCC(c2cc(-c3ccnc(C(=O)C(F)(F)F)c3)ccc2Cl)CC1,SYSBPYLBPQGLLZ-UHFFFAOYSA-N
-rxn:4:187587:226844,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2Cl)CC1,SLCVPMMIPCRMGZ-UHFFFAOYSA-N
-rxn:4:187591:223179,CONC(=O)c1cc(-c2ccc(F)cc2C2CCCN(C(=O)OC(C)(C)C)C2)ccc1F,VRIQPVRYJLXMKM-UHFFFAOYSA-N
-rxn:4:187593:226844,CC(C)(C)OC(=O)N1CCCC(c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2F)C1,HRIFLKASBGRZTA-UHFFFAOYSA-N
-rxn:4:187594:223179,CONC(=O)c1cc(-c2cc(F)cc(C3CCCN(C(=O)OC(C)(C)C)C3)c2)ccc1F,ZSEXYMVZWPACRZ-UHFFFAOYSA-N
-rxn:4:187596:223179,CONC(=O)c1cc(-c2ccc(F)c(C3CCN(C(=O)OC(C)(C)C)CC3)c2)ccc1F,KMHROAOZAVLPEO-UHFFFAOYSA-N
-rxn:4:187596:223884,CC(C)(C)OC(=O)N1CCC(c2cc(-c3ccc4c(c3)CCN(C(=O)OC(C)(C)C)C4)ccc2F)CC1,QSIDAFJSOSLZCC-UHFFFAOYSA-N
-rxn:4:187623:222897,CCCCNS(=O)(=O)c1cccc(-c2cccc(OC(C)C)c2CN2CCCCC2C)c1,OJNKSTQPFPVZGB-UHFFFAOYSA-N
-rxn:4:187623:222913,CC(C)Oc1cccc(-c2ccc(CNS(=O)(=O)C3CC3)cc2)c1CN1CCCCC1C,AOQSMIBGZDWMRX-UHFFFAOYSA-N
-rxn:4:187624:222932,COCCNS(=O)(=O)c1ccc(-c2cccc(OC(C)C)c2CN2CCCC(C)C2)cc1,VTEBAEQIWNTTHL-UHFFFAOYSA-N
-rxn:4:187627:223179,CCC1CCCCN1S(=O)(=O)c1cc(-c2ccc(F)c(C(=O)NOC)c2)c(C)cc1OC,JHMNYXASBVTNBB-UHFFFAOYSA-N
-rxn:4:187632:223179,CONC(=O)c1cc(-c2ccc(C3(C)CN(C(=O)OC(C)(C)C)CCO3)cc2)ccc1F,JQGWNWJSVNDWJU-UHFFFAOYSA-N
-rxn:4:187634:223179,CONC(=O)c1cc(-c2ccc(N(C(=O)C3CCCCC3)C3C=CS(=O)(=O)C3)cc2)ccc1F,KTDVDVVAQBMPKR-UHFFFAOYSA-N
-rxn:4:187643:225901,Cc1nn(C(=O)OC(C)(C)C)cc1-c1ccccc1CCC(=O)N1CCC2(CC1)OCCCO2,FQUGHFNZFRVXGI-UHFFFAOYSA-N
-rxn:4:187644:226844,COc1cc(S(=O)(=O)N2CC(C)CC(C)C2)c(OC)cc1-c1ccnc(C(=O)C(F)(F)F)c1,WWWJNKWGTOQRQX-UHFFFAOYSA-N
-rxn:4:187657:223179,CCN(C1CCCCC1)S(=O)(=O)c1cc(C)c(C)cc1-c1ccc(F)c(C(=O)NOC)c1,RSPJQSCKBOPRES-UHFFFAOYSA-N
-rxn:4:187658:223179,CCN(C1CCCCC1)S(=O)(=O)c1cc(-c2ccc(F)c(C(=O)NOC)c2)c(C)cc1C,OEPQAPLKPOOOFQ-UHFFFAOYSA-N
-rxn:4:187658:226844,CCN(C1CCCCC1)S(=O)(=O)c1cc(-c2ccnc(C(=O)C(F)(F)F)c2)c(C)cc1C,UNKLBEITSOKKFJ-UHFFFAOYSA-N
-rxn:4:187659:222909,CC(C)(C)OC(=O)Nc1cc(-c2ccc(C3(C)CCN(C(=O)OC(C)(C)C)CC3)cc2)ccn1,RFAXIVHFIVQLPN-UHFFFAOYSA-N
-rxn:4:187659:226322,Cc1cc(C(=O)N(C)C)ccc1-c1ccc(C2(C)CCN(C(=O)OC(C)(C)C)CC2)cc1,CMXKLOPBXIIEMD-UHFFFAOYSA-N
-rxn:4:187660:226844,Cc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)c(C2CCCN(C(=O)OC(C)(C)C)C2)c1,MEFLJMJACDNNPG-UHFFFAOYSA-N
-rxn:4:187661:223179,CONC(=O)c1cc(-c2cccc(C3CCN(C(=O)OC(C)(C)C)CC3)c2C)ccc1F,REJGJXXWXAPNOU-UHFFFAOYSA-N
-rxn:4:187662:223179,CONC(=O)c1cc(-c2cc(C)cc(C3CCN(C(=O)OC(C)(C)C)CC3)c2)ccc1F,UZPZQXGABYXYKP-UHFFFAOYSA-N
-rxn:4:187662:225564,COC(=O)C(C)(C)c1cccc(-c2cc(C)cc(C3CCN(C(=O)OC(C)(C)C)CC3)c2)c1,LGUXTEJERPXGQJ-UHFFFAOYSA-N
-rxn:4:187665:223179,CONC(=O)c1cc(-c2cccc(C3CCN(C(=O)OC(C)(C)C)CC3C)c2)ccc1F,LXYIFNJFZBABIX-UHFFFAOYSA-N
-rxn:4:187666:223179,CONC(=O)c1cc(-c2ccc(C)c(C3CCN(C(=O)OC(C)(C)C)CC3)c2)ccc1F,QRZPSODESDVDQI-UHFFFAOYSA-N
-rxn:4:187667:223179,CONC(=O)c1cc(-c2cccc(C3CCCN(C(=O)OC(C)(C)C)C3)c2C)ccc1F,HPVDLGSOPNCPDZ-UHFFFAOYSA-N
-rxn:4:187668:223179,CONC(=O)c1cc(-c2ccc(C3CCN(C(=O)OC(C)(C)C)CC3C)cc2)ccc1F,FEBFBQJVYSTRFX-UHFFFAOYSA-N
-rxn:4:187670:223179,CONC(=O)c1cc(-c2cc(Cl)cc(C3CCN(C(=O)OC(C)(C)C)CC3C)c2)ccc1F,FEUJUABULZIAHR-UHFFFAOYSA-N
-rxn:4:187671:223034,CC(C)(C)NC(=O)c1cncc(-c2cc(CN3CCC(C(F)(F)F)CC3)cc(C(C)(C)C)c2)c1,UQBKBINUTYJGNV-UHFFFAOYSA-N
-rxn:4:187671:223179,CONC(=O)c1cc(-c2cc(CN3CCC(C(F)(F)F)CC3)cc(C(C)(C)C)c2)ccc1F,ODUQPQQTQFDJBA-UHFFFAOYSA-N
-rxn:4:187673:223279,CC1CN(C(=O)OC(C)(C)C)CCC1c1cc(F)cc(-c2cnc(C3CCCN3)nc2)c1,XTHSGYPYPXUKJX-UHFFFAOYSA-N
-rxn:4:187677:227052,CC(C)(C)OC(=O)N1CCC2(CC1)CC2c1ccc(-c2ccc(SC(C)(C)C)cc2)cc1,MEPFJOWVSQCMRT-UHFFFAOYSA-N
-rxn:4:187680:223279,O=C(c1ccccc1-c1cnc(C2CCCN2)nc1)N(C1CCCCC1)C1CCCCC1,NQSNMORRVLQADB-UHFFFAOYSA-N
-rxn:4:187688:223179,CONC(=O)c1cc(-c2ccc(C(=O)c3ccc(CN4CCC5(CC4)OCCO5)cc3)cc2F)ccc1F,XTNNIEHSIUOOSH-UHFFFAOYSA-N
-rxn:4:187690:226844,O=C(c1cccc(CN2CCC3(CC2)OCCO3)c1)c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)c(F)c1,URHXPALFOMSVDM-UHFFFAOYSA-N
-rxn:4:187692:223179,CONC(=O)c1cc(-c2ccc(C(=O)c3ccccc3CN3CCC4(CC3)OCCO4)cc2F)ccc1F,SAFWNOJYFJWYSY-UHFFFAOYSA-N
-rxn:4:187695:226607,CC(C)Oc1cc(Cl)cc(-c2cc(F)cc(N3CCC(O[Si](C)(C)C(C)(C)C)CC3)c2)c1F,OLSFIYBJMALDPJ-UHFFFAOYSA-N
-rxn:4:187821:224420,Cc1cc2c(cc1-c1cccc3c1CN(CC(=O)OC(C)(C)C)C3=O)C(C)(C)CCC2(C)C,YDBCBZHFYRZDFI-UHFFFAOYSA-N
-rxn:4:187828:223179,CONC(=O)c1cc(-c2ccc3c(c2)S(=O)(=O)N(CC(=O)OC(C)(C)C)C3=O)ccc1F,RDMQDKACKVMGCY-UHFFFAOYSA-N
-rxn:4:187849:226844,CC(C)(C)OC(=O)N1CCc2c(-c3ccnc(C(=O)C(F)(F)F)c3)cc(C(F)(F)F)cc21,QWGZCMCBZCJBBC-UHFFFAOYSA-N
-rxn:4:187943:223179,CONC(=O)c1cc(-c2ccc(OC)c3c2CCN(C(=O)OC(C)(C)C)CC3)ccc1F,KGZFVPRJNDKRAQ-UHFFFAOYSA-N
-rxn:4:187945:223179,CONC(=O)c1cc(-c2ccc3c(c2)C=C(C(=O)OC)CCCN3CC(C)C)ccc1F,QHFVOYHBAYHKJT-UHFFFAOYSA-N
-rxn:4:187946:226844,COc1ccc2c(c1-c1ccnc(C(=O)C(F)(F)F)c1)CCN(C(=O)OC(C)(C)C)[C@@H]2C,CSFQGOYWTJHGSP-CYBMUJFWSA-N
-rxn:4:187948:226844,COc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)c(C(=O)N2C3CCC2CC(S(C)(=O)=O)C3)c1,NGHDSNGJJUMUPK-UHFFFAOYSA-N
-rxn:4:187973:225423,CN(C)CCCCc1ccc(-c2ccccc2C(=O)N2C3CCC2CC(S(=O)(=O)c2ccccc2)C3)cc1,JWDJDSPJZVKACB-UHFFFAOYSA-N
-rxn:4:187996:223279,CC(C)(C)OC(=O)N1CCC(C2CC(=O)c3ccc(-c4cnc(C5CCCN5)nc4)cc3O2)CC1,JDORHCOEIOABJW-UHFFFAOYSA-N
-rxn:4:188005:223179,CONC(=O)c1cc(-c2ccc(C3OC4(C(=O)c5ccccc5C4=O)C4C(=O)N(Cc5ccc(OC)cc5)C(=O)C34)cc2)ccc1F,DDHGFBQJWSCJHD-UHFFFAOYSA-N
-rxn:4:188014:227219,O=C(Oc1ccccc1N1C(=O)C2C3CCC(C3)C2C1=O)c1ccc(-c2ccc(OCCCF)cc2)cc1,FDMXPLKDBYLGEF-UHFFFAOYSA-N
-rxn:4:188247:223596,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)ccc2-c2c(CC#N)cccc2C(F)(F)F)CC1,SPYJRXGUEPNUFI-UHFFFAOYSA-N
-rxn:4:189105:223787,COC(=O)c1cnc(C2COC2)cc1-c1ccc(OCCCN2CCN(C)CC2)c(F)c1,ZKWCNHUHUUSJMP-UHFFFAOYSA-N
-rxn:4:189558:223683,CC(C)(C)OC(=O)N1CCC(Oc2ncc(-c3ccc(OC4CCOCC4)c(C#N)c3)cn2)C1,OTDGRKNTCWHNPJ-UHFFFAOYSA-N
-rxn:4:189811:223901,COc1ccc(-c2ccc(OCCN3CCC(C)CC3)c(Cl)c2)cc1C1(C#N)CCCC1,URBKDICCCUJXCG-UHFFFAOYSA-N
-rxn:4:189869:223983,CCN1CCN(S(=O)(=O)c2ccccc2-c2ccc(C(=O)N3CCSCC3)cc2C(F)(F)F)CC1,KPCKRDTVJYKBPE-UHFFFAOYSA-N
-rxn:4:189933:223902,COc1cc(-c2ccc(OCCN3CCC(C)CC3)c(F)c2)ccc1C(=O)N1CCSCC1,IOPKRJPJIVRSFK-UHFFFAOYSA-N
-rxn:4:189944:223697,O=S(=O)(Cc1cccc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2C(F)(F)F)c1)N1CCOCC1,HROCNAXSFPQOSY-UHFFFAOYSA-N
-rxn:4:189984:223638,C/C(=N\[S@](=O)C(C)(C)C)c1ccc(-c2cccc(C3CCCN(C(=O)OC(C)(C)C)C3)c2)cc1,FVODZAAXTRKBMQ-YTWILNPWSA-N
-rxn:4:189985:223945,CC(=NS(=O)C(C)(C)C)c1cccc(-c2ccc(OCCCN3CCOCC3)c(F)c2)c1,XYSXHHFMFQMHKW-UHFFFAOYSA-N
-rxn:4:189992:222545,CN(C(C)(C)C)S(=O)(=O)c1ccc(-c2ccc(C(C)(C)NC(=O)OC(C)(C)C)cc2)cc1,RFHPSTSBRMPPEM-UHFFFAOYSA-N
-rxn:4:189996:223888,Cc1c(/C=N/S(=O)C(C)(C)C)cccc1-c1ccc2c(c1)N(C(=O)OC(C)(C)C)CCC2,LEFULHRCFRBSCV-WPWMEQJKSA-N
-rxn:4:190008:223904,Cc1cc(OC2CCOCC2)c(-c2cccc(C3CN(C(=O)OC(C)(C)C)C3)c2)cc1[N+](=O)[O-],RMZZAJNYHJUCSZ-UHFFFAOYSA-N
-rxn:4:190175:223279,O=S(=O)(c1cc(-c2cnc(C3CCCN3)nc2)c(F)cc1F)N1CCCCC1C(F)(F)F,BWEKYRCPECCHPP-UHFFFAOYSA-N
-rxn:4:190180:226008,COc1ccc(OC(F)(F)F)c(-c2cc(C(F)(F)F)cc(S(=O)(=O)N3CCC(F)(F)CC3)c2)c1,ONZIQWYVCVNRCH-UHFFFAOYSA-N
-rxn:4:190227:224377,CN1CCN(S(=O)(=O)c2ccc(-c3cc(S(C)(=O)=O)ccc3CN3CCOCC3)cc2)CC1,MJNDQXAQXDTFOX-UHFFFAOYSA-N
-rxn:4:190287:226499,CC(=O)N1CCC(c2ccc(-c3cccn3C(=O)OC(C)(C)C)cc2C(F)(F)F)CC1,GXOLLQCMTTURBZ-UHFFFAOYSA-N
-rxn:4:190333:224645,COC(=O)c1cc(-c2ccc(C(=O)N3CCCC3)cc2OC)ccc1N1CCC(C)CC1,WHGKKMBELAWZGM-UHFFFAOYSA-N
-rxn:4:190355:223179,CONC(=O)c1cc(-c2cc(C(F)(F)F)cc(S(=O)(=O)N3CCC(C)CC3)c2)ccc1F,UZEAWYRTUVRSLG-UHFFFAOYSA-N
-rxn:4:190355:223994,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cc(C(F)(F)F)cc(S(=O)(=O)N2CCC(C)CC2)c1,SQCREPJCCATMOL-UHFFFAOYSA-N
-rxn:4:190391:222940,COc1ccc(C(=O)N2CCC3(CC2)CC3)cc1-c1cncc(S(=O)(=O)NC(C)(C)C)c1,QVUAZYYXUXUVOH-UHFFFAOYSA-N
-rxn:4:190431:226844,COc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)c(C(=O)N2CCC3(CC2)OCCS3)c1,HTHMRMHOVXMDFK-UHFFFAOYSA-N
-rxn:4:190449:224157,CC(C)(C)OC(=O)n1cc(-c2ccc(C3CCCN3C(=O)C3CCOCC3)cc2)c2ccccc21,MIAHWKOZZRXRDQ-UHFFFAOYSA-N
-rxn:4:190461:223652,COc1ccc(Cl)c2cc(-c3ccc(Cl)c(C(=O)N4CCSC(c5ccccc5F)CC4)c3)n(C(=O)OC(C)(C)C)c12,WZBAJSRUQXGSQK-UHFFFAOYSA-N
-rxn:4:190477:226844,COc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)c(C(=O)N2CC3(COC(C)(C)OC3)C2)c1,XQTBUPAWANRCFX-UHFFFAOYSA-N
-rxn:4:190481:224007,CC(C)COc1cc(OC(F)(F)F)cc(-c2ccccc2-c2cccc(C(=O)N3CCC(C)CC3)c2)c1F,KTSLERJCYDWZKT-UHFFFAOYSA-N
-rxn:4:190484:225607,CC(c1ccc(-c2cccc(C(=O)N3CCC(c4ccccc4Cl)S(=O)(=O)CC3)c2)s1)N1CCCCC1,ONUCVYOTERBQLU-UHFFFAOYSA-N
-rxn:4:190498:225995,Cc1cc(S(=O)(=O)N2CCCCCC2)c(C(C)C)cc1-c1cc(C#N)ccc1OC(F)(F)F,VLNJUQYEYUXXPP-UHFFFAOYSA-N
-rxn:4:190577:223542,COC(=O)Cc1c[nH]c2c(F)ccc(-c3ccc(OC(F)(F)F)c(S(=O)(=O)N4CCN(C)CC4)c3)c12,UEKWUEVPZRNTAN-UHFFFAOYSA-N
-rxn:4:190728:222799,CCOC(=O)c1[nH]c2c(c1-c1ccc(S(=O)(=O)NC(C)(C)C)c(C)c1)CCC(F)(F)C2,FCPWQWYLRSIWBJ-UHFFFAOYSA-N
-rxn:4:190846:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2cc3c(s2)CCN(C(=O)OC(C)(C)C)C3)cc1,QOVJQUYPKGBJQV-UHFFFAOYSA-N
-rxn:4:190851:224485,CC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CC3)c1,WRDAHZWSQVEULY-UHFFFAOYSA-N
-rxn:4:190897:224394,CSC1CC2CCC(C1)N2C(=O)c1ccc(-c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)o1,VOQVZIWSWFUYQP-UHFFFAOYSA-N
-rxn:4:190929:222940,CC(C)(C)NS(=O)(=O)c1cncc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3=O)c1,LHMHTSSIJNPXLM-UHFFFAOYSA-N
-rxn:4:190953:223773,COc1cccc2cc(-c3ccc4c(c3)CN(C(=O)OC(C)(C)C)CC4)n(C(=O)OC(C)(C)C)c12,ZHKIWIHUORUADH-UHFFFAOYSA-N
-rxn:4:190959:222919,CC(C)(C)NS(=O)(=O)c1ccc(-c2cc3c(s2)CCCN(C(=O)OC(C)(C)C)C3)cc1,KYNJADHCOYSEQP-UHFFFAOYSA-N
-rxn:4:190966:222679,COc1ccc(NC(=O)OC(C)(C)C)cc1-c1ccc2c(c1F)CCN(C(=O)OC(C)(C)C)C2,MDZMHQUUOPSTMH-UHFFFAOYSA-N
-rxn:4:190972:223179,CONC(=O)c1cc(-c2ccc(C(=O)N3C4CCC3CC(S(C)(=O)=O)C4)o2)ccc1F,LXDZSDTXXULRHK-UHFFFAOYSA-N
-rxn:4:190978:225567,Cc1cc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CCS3(=O)=O)ccc1C(=O)OC(C)C,YRHWEXAQUAATKA-UHFFFAOYSA-N
-rxn:4:191005:224485,COC(=O)c1ccc2c(C3CCCCC3)c(-c3ccn([Si](C(C)C)(C(C)C)C(C)C)c3)[nH]c2c1,LIEVVHLMDYVFHP-UHFFFAOYSA-N
-rxn:4:191008:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2ccc3c(c2)C(=O)N(C(=O)OC(C)(C)C)C3(C)C)cc1,QBJXNDIIVSLDSV-UHFFFAOYSA-N
-rxn:4:191031:224420,Cc1cc2c(cc1-c1ccc3c(c1)CCN(C(=O)OC(C)(C)C)CC3)C(C)(C)CCC2(C)C,WCMFMKGLLCYOMM-UHFFFAOYSA-N
-rxn:4:191045:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2ccc(CN3CCC(C(F)(F)F)CC3)c3ccccc23)cc1,PVPNICFJWGSCEM-UHFFFAOYSA-N
-rxn:4:191062:226590,CS(=O)(=O)C1CC2CCC(C1)N2S(=O)(=O)c1ccccc1-c1ccc(OC2CCOC2)nc1,DJJUBHKMXSNGGK-UHFFFAOYSA-N
-rxn:4:191063:223098,CC(=O)NS(=O)(=O)c1ccc(-c2ccc3c(c2)OC2(CC3=O)CN(C(=O)OC(C)(C)C)C2)cc1,RFNSXQQRAVCRSF-UHFFFAOYSA-N
-rxn:4:191063:223279,CC(C)(C)OC(=O)N1CC2(CC(=O)c3ccc(-c4cnc(C5CCCN5)nc4)cc3O2)C1,FJTSRWWCWZNBTP-UHFFFAOYSA-N
-rxn:4:191087:225561,CC(C)(C)OC(=O)c1ccccc1-c1ccc2c(c1)N(C(=O)OC(C)(C)C)CCC2(C)C,BVYVMXGLGYFRFJ-UHFFFAOYSA-N
-rxn:4:191097:223179,CONC(=O)c1cc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)ccc1F,WUCQGTBISXSVQR-UHFFFAOYSA-N
-rxn:4:191098:226844,CC(C)(C)OC(=O)N1CCC2(CC(=O)c3cc(-c4ccnc(C(=O)C(F)(F)F)c4)ccc3O2)C1,BLTTXOHBJINDOX-UHFFFAOYSA-N
-rxn:4:191099:223179,CONC(=O)c1cc(-c2ccc3c(c2)C(=O)C2(CCN(C(=O)OC(C)(C)C)CC2)O3)ccc1F,GCFOWRWAGFRXEJ-UHFFFAOYSA-N
-rxn:4:191099:224683,CC(C)(C)OC(=O)N1CCC2(CC1)Oc1ccc(-c3cc(F)cc(C(=O)N4CCCCC4)c3)cc1C2=O,HIBNQXOGQDYLQG-UHFFFAOYSA-N
-rxn:4:191103:223279,CC(C)(C)OC(=O)N1CCC2(C=Cc3ccc(-c4cnc(C5CCCN5)nc4)cc32)CC1,AMVDCNXBLKIZDD-UHFFFAOYSA-N
-rxn:4:191104:223179,CONC(=O)c1cc(-c2ccc3c(c2)C2(CCN(C(=O)OC(C)(C)C)CC2)CO3)ccc1F,XRGGEAYPKLPRFA-UHFFFAOYSA-N
-rxn:4:191105:223179,CONC(=O)c1cc(-c2cccc3c2C2(C=C3)CCN(C(=O)OC(C)(C)C)CC2)ccc1F,WHAJMAHYZVQDSI-UHFFFAOYSA-N
-rxn:4:191105:226844,CC(C)(C)OC(=O)N1CCC2(C=Cc3cccc(-c4ccnc(C(=O)C(F)(F)F)c4)c32)CC1,PDVPLMVXTRZNBL-UHFFFAOYSA-N
-rxn:4:191106:226844,CC(C)(C)OC(=O)N1CC2(CCOCC2)c2cc(-c3ccnc(C(=O)C(F)(F)F)c3)ccc21,ZRSYZUPNOMVQCC-UHFFFAOYSA-N
-rxn:4:191115:223179,CONC(=O)c1cc(-c2ccc3c(c2)COC2(CCN(C(=O)OC(C)(C)C)CC2)O3)ccc1F,DWYINFKCULVCMS-UHFFFAOYSA-N
-rxn:4:191119:223179,CONC(=O)c1cc(-c2ccc3c(c2)C(=O)C2(CCN(C(=O)OC(C)(C)C)CC2)C3)ccc1F,VLVBBBWWOGNNHX-UHFFFAOYSA-N
-rxn:4:191119:226844,CC(C)(C)OC(=O)N1CCC2(CC1)Cc1ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc1C2=O,SPKBVFNOJQCZJN-UHFFFAOYSA-N
-rxn:4:191123:223179,CONC(=O)c1cc(-c2cccc3c2C2(CC3)CCN(C(=O)OC(C)(C)C)CC2)ccc1F,JNLLFUYQILKXKL-UHFFFAOYSA-N
-rxn:4:191124:223279,CC(C)(C)OC(=O)N1CCC2(CCc3ccc(-c4cnc(C5CCCN5)nc4)cc32)CC1,NXBCEMFACACVHS-UHFFFAOYSA-N
-rxn:4:191124:224552,CC(C)(C)OC(=O)N1CCC2(CCc3ccc(-c4cc(F)cc(COC5CCCCC5)c4)cc32)CC1,OSXHHRPCYWGCAJ-UHFFFAOYSA-N
-rxn:4:191126:225829,CC1CCN(c2ncc(-c3ccc4c(c3)C(=O)CC3(CCN(C(=O)OC(C)(C)C)CC3)O4)cn2)CC1,KLESOSVXEHDNCS-UHFFFAOYSA-N
-rxn:4:191127:223279,CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)c1ccc(-c3cnc(C4CCCN4)nc3)cc1O2,BBDVACFIWYBAQO-UHFFFAOYSA-N
-rxn:4:191136:223279,O=C1C2C(c3ccc(-c4cnc(C5CCCN5)nc4)cc3)OC3(C(=O)c4ccccc4C3=O)C2C(=O)N1c1cccc(C(F)(F)F)c1,QBPBWFXLVDUEHM-UHFFFAOYSA-N
-rxn:4:191137:226844,COc1ccc(N2C(=O)C3C(c4ccccc4-c4ccnc(C(=O)C(F)(F)F)c4)OC4(C(=O)c5ccccc5C4=O)C3C2=O)cc1,JSARIOWKGVODMQ-UHFFFAOYSA-N
-rxn:4:191171:226844,CC1=CC(C)(C)N2C(=O)C(=O)c3cc(OC(=O)c4ccccc4-c4ccnc(C(=O)C(F)(F)F)c4)cc1c32,VJNRDNPTZTYBKK-UHFFFAOYSA-N
-rxn:4:191172:223179,CONC(=O)c1cc(-c2ccc(C(=O)Oc3cc4c5c(c3)C(C)=CC(C)(C)N5C(=O)C4=O)cc2)ccc1F,WQJAIFCJEOXOGL-UHFFFAOYSA-N
-rxn:4:191189:223279,COc1ccc2c(c1)C1CC(C)(O2)N(C)C(=O)C1S(=O)(=O)c1ccc(-c2cnc(C3CCCN3)nc2)cc1,TVYGPZPUXBYNNF-UHFFFAOYSA-N
-rxn:4:191195:226844,CC1C(=O)C(C)(C)N(C(=O)OC(C)(C)C)c2c1cc(-c1ccnc(C(=O)C(F)(F)F)c1)c1c2CCC1,OWZLRDNWQQUOAL-UHFFFAOYSA-N
-rxn:4:191414:222439,O=C(c1ccnc(-c2ccc(S(=O)(=O)NC3CCCCC3)cc2C(F)(F)F)c1Cl)C(F)(F)F,IAEOGJZJHSOGEJ-UHFFFAOYSA-N
-rxn:4:191828:223491,COc1nc(C(F)(F)F)ccc1-c1cc(N2CCN(C(=O)OC(C)(C)C)CC2)cc(C(F)(F)F)c1,MUMWQNHRBKIQPU-UHFFFAOYSA-N
-rxn:4:192267:223506,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cccc(-c3ccc(-c4cnc(C(F)(F)F)s4)cc3)c2)CC1,SUEUFQPSPROLGZ-UHFFFAOYSA-N
-rxn:4:192657:223679,CCN1CCN(S(=O)(=O)c2c(C)cc(-c3ccc(C4(C(F)(F)F)OCCO4)nc3)cc2C)CC1,GXQOWZVOPSMEBV-UHFFFAOYSA-N
-rxn:4:192772:222604,COc1ccc(-c2ccc(C=C3N=C(SC)SC3=O)cc2)cc1S(=O)(=O)NC1CCCC1,SAHXZQXYWUXQOM-UHFFFAOYSA-N
-rxn:4:193123:223646,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3ccc(C4COCCO4)c(C(F)(F)F)n3)cc2)C1,BEICQYJVSFEDIA-UHFFFAOYSA-N
-rxn:4:193191:223533,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cccc(S(=O)(=O)N4CCCC4)c3)c(F)c2)CC1,NKVHLLIQPQNUIR-UHFFFAOYSA-N
-rxn:4:193286:223902,Cc1cc(-c2ccc(OCCN3CCC(C)CC3)c(F)c2)cc(S(=O)(=O)N2CC(F)(F)C2)c1,DGMUGQFCNUKDFW-UHFFFAOYSA-N
-rxn:4:193293:222645,O=S1(=O)CCCN1c1cc(-c2cccc(OCCN3CCC(O)CC3)c2)cc(C(F)(F)F)c1,VOYAFCDIXOYIKP-UHFFFAOYSA-N
-rxn:4:193518:224959,CC1=CC(=O)C=CC1=NS(=O)(=O)c1ccc(-c2ccc(OCC3CCCCO3)cc2)cc1,VFRREFHSRAJDHD-UHFFFAOYSA-N
-rxn:4:193627:222740,CC(C)c1cc(-c2ccccc2S(=O)(=O)N2CCS(=O)(=O)CC2)cc(C2CCCNC2)n1,QIQWJLQONKUTIF-UHFFFAOYSA-N
-rxn:4:193691:223523,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc(C(=O)N4CCC(=C5CC5)CC4)o3)c3ccccc23)CC1,AWUKWRRLKADGPB-UHFFFAOYSA-N
-rxn:4:193727:222520,Cc1cc(C(=O)N2CCCCC2)ccc1-c1ccc(C(F)(F)F)c(NC(=O)OC(C)(C)C)c1,PBQZCFFZJOGHNY-UHFFFAOYSA-N
-rxn:4:193758:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2cc(C(=O)N3CCCC(C)C3)ccc2F)cc1,HTLGCDSDVORQFM-UHFFFAOYSA-N
-rxn:4:193909:225923,O=C1C(=Cc2ccc(-c3cnc(OC4CCCC4)nc3Cl)o2)SC(=S)N1C1CCCCC1,YJEBRFQNMIJCRV-UHFFFAOYSA-N
-rxn:4:193910:223179,CONC(=O)c1cc(-c2ccc(C=C3SC(=S)N(C4CCS(=O)(=O)C4)C3=O)cc2)ccc1F,GTJPVWKRXIIXEX-UHFFFAOYSA-N
-rxn:4:193925:223598,Cc1ccc(C(=O)N2CCCCC2C)c(-c2ccc(OCCN3CCC4(CC3)OCCO4)c(F)c2)c1,ZODFUGSFOUMPHU-UHFFFAOYSA-N
-rxn:4:193960:224420,Cc1cc(-c2cc3c(cc2C)C(C)(C)CCC3(C)C)c(S(=O)(=O)N2CCCCC2)cc1C,SVZXLNZUFVGAPO-UHFFFAOYSA-N
-rxn:4:193979:222861,CCCCNC(=O)c1cc(-c2ccc(C3SCC(=O)N3C3CCCCC3)cc2)ccc1F,JEKOJMYYMNWZPG-UHFFFAOYSA-N
-rxn:4:194003:222647,Cc1cc(-c2ccccc2CN2C(C)(C)CCCC2(C)C)c(C)cc1NC(=O)OC(C)(C)C,XASGNOPOXJOOHW-UHFFFAOYSA-N
-rxn:4:194418:223557,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc4c(c3)CCN4S(=O)(=O)C3CC3)c(F)ccc21,STQMLXKIPJLLCA-UHFFFAOYSA-N
-rxn:4:194734:224426,CC1(C)OCC(c2ccc3cc(-c4cc(C5CCCCC5)cc(C5CC5)c4)ccc3c2)([N+](=O)[O-])CO1,LVVYUMVRGVZHDP-UHFFFAOYSA-N
-rxn:4:194749:223557,CC1CCN(S(=O)(=O)c2ccc(-c3c(F)ccc4c3ccn4[Si](C(C)C)(C(C)C)C(C)C)c3ccccc23)CC1,VYKVLEBRVDKMOM-UHFFFAOYSA-N
-rxn:4:194750:222604,COc1ccc(-c2ccccc2S(=O)(=O)N2C3CCC2CC(=C2CC2)C3)cc1S(=O)(=O)NC1CCCC1,JDDUTQLYSAAENZ-UHFFFAOYSA-N
-rxn:4:194757:226844,O=C(c1cc(-c2ccc3c(c2)CCCC3N2CCCC(C(F)(F)F)C2)ccn1)C(F)(F)F,UQQWCRRDPBYVQX-UHFFFAOYSA-N
-rxn:4:194764:225213,CN1CCN(c2ccc(-c3ccc(C(=O)N4CCC5(CC4)CC(=O)c4ccccc4O5)o3)c(Cl)c2)CC1,PXGNERSXAMNRMZ-UHFFFAOYSA-N
-rxn:4:194776:225325,CCOC(=O)c1cc(-c2ccc(C3(N4C(=O)c5ccccc5C4=O)CC4(C3)OCCO4)cc2)cc([N+](=O)[O-])c1,DOJGETDKIVQQAK-UHFFFAOYSA-N
-rxn:4:194781:225332,CCOc1ccc(OC(F)(F)F)cc1-c1ccc(C(=O)N2CCC3(CC2)CC(=O)c2ccccc2O3)cc1,YEUCUCXBKRLWSO-UHFFFAOYSA-N
-rxn:4:194785:223998,CC1CCN(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCC5(CC4)CC(=O)c4ccccc4O5)cc3)cc2F)CC1,HCGWAKGWQNMTCC-UHFFFAOYSA-N
-rxn:4:194791:223279,O=C1C2C(c3ccc(Cl)cc3)OC3(C(=O)c4ccccc4C3=O)C2C(=O)N1c1ccccc1-c1cnc(C2CCCN2)nc1,ZQDQKTFIDPXDQW-UHFFFAOYSA-N
-rxn:4:194794:223179,CONC(=O)c1cc(-c2ccc(C3OC4(C(=O)c5ccccc5C4=O)C4C(=O)N(c5ccc(F)cc5)C(=O)C34)cc2)ccc1F,FOYAAABTIRCVQF-UHFFFAOYSA-N
-rxn:4:194794:223279,O=C1C2C(c3ccc(-c4cnc(C5CCCN5)nc4)cc3)OC3(C(=O)c4ccccc4C3=O)C2C(=O)N1c1ccc(F)cc1,CIURZCLQDXKFQL-UHFFFAOYSA-N
-rxn:4:194797:223279,Cc1ccc(C2OC3(C(=O)c4ccccc4C3=O)C3C(=O)N(c4ccccc4-c4cnc(C5CCCN5)nc4)C(=O)C23)cc1,JXJZBFJGNFUXBT-UHFFFAOYSA-N
-rxn:4:194797:226844,Cc1ccc(C2OC3(C(=O)c4ccccc4C3=O)C3C(=O)N(c4ccccc4-c4ccnc(C(=O)C(F)(F)F)c4)C(=O)C23)cc1,AVODZZYDLUMAKJ-UHFFFAOYSA-N
-rxn:4:194798:223179,CONC(=O)c1cc(-c2ccc(N3C(=O)C4C(c5ccc(C)cc5)OC5(C(=O)c6ccccc6C5=O)C4C3=O)cc2)ccc1F,ARFRWQFKWQXFNL-UHFFFAOYSA-N
-rxn:4:194800:223179,CONC(=O)c1cc(-c2ccccc2N2C(=O)C3C(c4cccc(C)c4)OC4(C(=O)c5ccccc5C4=O)C3C2=O)ccc1F,ZZOGMFGPRRQBFZ-UHFFFAOYSA-N
-rxn:4:194808:223841,Cc1cc(F)c(-c2ccc3c(c2)c2c(n3CC(F)F)CCCC2)cc1S(=O)(=O)N1CCN(C)CC1,UEDCZFMLAPTMOU-UHFFFAOYSA-N
-rxn:4:194813:223579,CCCn1c2c(c3cc(-c4ccc(N5CCN(C(=O)OC(C)(C)C)CC5C)cc4)ccc31)CCCC2,FJHUVBUDZWSABB-UHFFFAOYSA-N
-rxn:4:195707:223589,Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1cc(F)c(S(N)(=O)=O)cc1Cl,VXSLTKXQGPULOA-UHFFFAOYSA-N
-rxn:4:197180:223500,CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(-c3ccc(C(F)(F)F)c4cc[nH]c34)ccc2F)CC1,WFWRRXKSYZUKTB-UHFFFAOYSA-N
-rxn:4:197462:223503,CC(C)(C)OC(=O)N1CCC(Oc2cc(F)c(-c3ccc([N+](=O)[O-])c4c3C(=O)CCO4)c(F)c2)CC1,ZMBSEXBLRKATLJ-UHFFFAOYSA-N
-rxn:4:197793:223482,CCN1c2c(cccc2-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)CC1C,WHWPQYLHRMXKMC-UHFFFAOYSA-N
-rxn:4:197914:224411,CN(C)S(=O)(=O)c1ccc(-c2cccc3c2CN(C2CCOCC2)C3=O)c(C(F)(F)F)c1,BQEMCGUURDUJGC-UHFFFAOYSA-N
-rxn:4:197969:223712,COc1ccc(-c2ccc3c(c2)C(N2CCCC(C)C2)CC3)cc1C12CC3CC(CC(C3)C1)C2,ZCOYJPYQSTZFJU-UHFFFAOYSA-N
-rxn:4:197970:224132,CC1CCN(C2CCc3ccc(-c4ccccc4C(=O)N(C)C4CCCCC4)cc32)CC1,OBLFIQISLMRFFR-UHFFFAOYSA-N
-rxn:4:197972:223918,CC1CCCN(C2CCc3c(-c4cc(C(=O)N(C)C5CCCCC5)ccc4F)cccc32)C1,QMMVRWMEXBTASO-UHFFFAOYSA-N
-rxn:4:197973:224128,CC1CCN(C2CCc3c(-c4ccc(C(=O)N(C)C5CCCCC5)cc4)cccc32)CC1,QKGFYIINRVIKCQ-UHFFFAOYSA-N
-rxn:4:198071:223179,CONC(=O)c1cc(-c2ccc(C3C4=C(CC(C)(C)CC4=O)N=C4c5ccccc5C(=O)C43)cc2)ccc1F,DBDRTVQLFUIWBM-UHFFFAOYSA-N
-rxn:4:199373:223497,CC(c1ccc(-c2cc3c4c(c2)CCN4C(=O)CC3)cc1)N1CCC(O[Si](C)(C)C(C)(C)C)CC1,LAEXVHVXJVSWFD-UHFFFAOYSA-N
-rxn:4:199472:223179,CONC(=O)c1cc(-c2c(C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)n[nH]c2C)ccc1F,IEVRKBDPJIIXPD-UHFFFAOYSA-N
-rxn:4:199499:222912,CC(C)CNS(=O)(=O)c1ccc(-c2ccnc(N(CC(F)F)C(=O)OC(C)(C)C)c2)cc1,OXLUQRNMRBPDQM-UHFFFAOYSA-N
-rxn:4:199500:222677,COC(=O)C(C(=O)OC(C)(C)C)c1ncc(-c2ccc(F)cc2CNC(=O)OC(C)(C)C)cn1,ATAWRAQDIXLEIH-UHFFFAOYSA-N
-rxn:4:199500:222899,CCCCNS(=O)(=O)c1ccc(-c2cnc(C(C(=O)OC)C(=O)OC(C)(C)C)nc2)cc1,FHDMOSOKRWZHRB-UHFFFAOYSA-N
-rxn:4:199546:225346,COc1ccc(-c2ccc(C(=O)N3CCN=C3SCc3ccc(C(F)(F)F)cc3)o2)cc1S(=O)(=O)N(C)C,WSBJELOIEMLYNJ-UHFFFAOYSA-N
-rxn:4:199571:223540,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1ccc(OCC2CN(C(=O)OC(C)(C)C)C2)nc1,JPMYPUBOMMOXLW-UHFFFAOYSA-N
-rxn:4:199574:223179,CONC(=O)c1cc(-c2cc([N+](=O)[O-])ccc2OCCN2CCCC(C(F)(F)F)C2)ccc1F,NUUBFHOVFANIML-UHFFFAOYSA-N
-rxn:4:199590:222913,CC(C)CN(C(=O)OC(C)(C)C)c1cc(-c2ccc(CNS(=O)(=O)C3CC3)cc2)ccn1,MOOIMZZADJETRF-UHFFFAOYSA-N
-rxn:4:199594:223179,CCC1CCCCN1C(=O)COC(=O)c1cncc(-c2ccc(F)c(C(=O)NOC)c2)c1,PUHSGMMKMOYBLD-UHFFFAOYSA-N
-rxn:4:199595:223179,CONC(=O)c1cc(-c2cncc(C(=O)OCC(=O)N(C)C3CCCCC3)c2)ccc1F,CPRLWIXPWUODGB-UHFFFAOYSA-N
-rxn:4:199620:223179,CONC(=O)c1cc(-c2cccnc2OC2CCN(C(=O)C(C)(C)OC(C)=O)C2)ccc1F,OGKYUIZJZZYFGW-UHFFFAOYSA-N
-rxn:4:199620:226844,CC(=O)OC(C)(C)C(=O)N1CCC(Oc2ncccc2-c2ccnc(C(=O)C(F)(F)F)c2)C1,ITRWIKBFJWIZGR-UHFFFAOYSA-N
-rxn:4:199622:223179,CCOC(=O)CN1CCN(S(=O)(=O)c2ccc(-c3ccc(F)c(C(=O)NOC)c3)cc2)CC1,XONYZWKYXBDEAJ-UHFFFAOYSA-N
-rxn:4:199649:223179,CONC(=O)c1cc(-c2cnc(OCC3CN(C(=O)OC(C)(C)C)C3)cc2C)ccc1F,SLXXXQBRNGOEHQ-UHFFFAOYSA-N
-rxn:4:199649:226844,Cc1cc(OCC2CN(C(=O)OC(C)(C)C)C2)ncc1-c1ccnc(C(=O)C(F)(F)F)c1,GDVQETSLUCXCCD-UHFFFAOYSA-N
-rxn:4:199650:224272,Cc1cc(-c2cc3ccncc3n2C(=O)OC(C)(C)C)cnc1OCC1CN(C(=O)OC(C)(C)C)C1,ISGDBLNWIPNVGV-UHFFFAOYSA-N
-rxn:4:199654:223279,CCOC(=O)N1CCN(S(=O)(=O)c2cc(-c3cnc(C4CCCN4)nc3)ccc2OC)CC1,UTMPKUHBVACPEN-UHFFFAOYSA-N
-rxn:4:199655:226844,O=C(CCc1ccccc1-c1ccnc(C(=O)C(F)(F)F)c1)N1CC(CN2C(=O)CCC2=O)C1,VBEGDZKJYOXGJD-UHFFFAOYSA-N
-rxn:4:199662:223761,CC(C)(C)OC(=O)N1CCCC1c1ccc(-c2ccc(OC3CCN(C(=O)Cc4ccc(C(F)(F)F)cc4)C3)nc2)cc1,FRKMSEQGLSNBNS-UHFFFAOYSA-N
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-rxn:4:199687:223179,CONC(=O)c1cc(-c2cccnc2OC2CCN(C(=O)c3ccc(OC(F)(F)F)cc3)CC2)ccc1F,JOUYNVZUDQJFNQ-UHFFFAOYSA-N
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-rxn:4:199772:225318,COc1ccc(CCC(=O)N2CCC(N3C(=O)CSC3=O)CC2)cc1-c1c(F)cc(N2CCOCC2)cc1F,OYUDQEBNWYCGDJ-UHFFFAOYSA-N
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-rxn:4:199783:226844,CN(Cc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1N1CCOCC1)C(=O)OC(C)(C)C,ARIHCIOAWQBTMO-UHFFFAOYSA-N
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-rxn:4:199790:223672,COc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccccc1COc1cc(C(F)(F)F)ccc1Cl,GPOMJESBJRBLIH-UHFFFAOYSA-N
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-rxn:4:199811:223179,CONC(=O)c1cc(-c2ccc(F)cc2CC(=O)N2CCN(C(=O)OC(C)(C)C)C(C)C2)ccc1F,YOKRHAGTVZRGLI-UHFFFAOYSA-N
-rxn:4:199811:223279,CC1CN(C(=O)Cc2cc(F)ccc2-c2cnc(C3CCCN3)nc2)CCN1C(=O)OC(C)(C)C,OZCSTYOBTRUZAX-UHFFFAOYSA-N
-rxn:4:199812:222778,CC1CN(C(=O)Cc2ccc(F)cc2-c2cncc(CNC(=O)OC(C)(C)C)c2)CCN1C(=O)OC(C)(C)C,UWJNFWAIXBKJFP-UHFFFAOYSA-N
-rxn:4:199813:223279,CC1CN(C(=O)OC(C)(C)C)CCN1C(=O)Cc1ccc(F)cc1-c1cnc(C2CCCN2)nc1,HJNBRKCMCCPMLX-UHFFFAOYSA-N
-rxn:4:199813:224104,COc1cc(-c2cc(F)ccc2CC(=O)N2CCN(C(=O)OC(C)(C)C)CC2C)ccc1OCc1ccccc1,QXSKTFQQNADPLQ-UHFFFAOYSA-N
-rxn:4:199817:222524,CCCOc1ccc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC(O)CC2)cc1S(=O)(=O)N1CCN(c2ccccc2)CC1,XPHKWMISUOHTOE-UHFFFAOYSA-N
-rxn:4:199820:223179,CONC(=O)c1cc(-c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)[C@@H](C)C3)cc2C(F)(F)F)ccc1F,DLVAEIJGHGFYED-HNNXBMFYSA-N
-rxn:4:199820:223279,C[C@H]1CN(C(=O)c2ccc(-c3cnc(C4CCCN4)nc3)c(C(F)(F)F)c2)CCN1C(=O)OC(C)(C)C,ITLGTCPRBITBJT-BJQOMGFOSA-N
-rxn:4:199820:226844,C[C@H]1CN(C(=O)c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)c(C(F)(F)F)c2)CCN1C(=O)OC(C)(C)C,ZGNYKJYAGWBPTJ-AWEZNQCLSA-N
-rxn:4:199825:223279,CN(Cc1ccc(-c2cnc(C3CCCN3)nc2)cc1N1CCCCC1)C(=O)OC(C)(C)C,HQIVDQQNNUDDOB-UHFFFAOYSA-N
-rxn:4:199825:226844,CN(Cc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1N1CCCCC1)C(=O)OC(C)(C)C,PFLZDIYJAODZLR-UHFFFAOYSA-N
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-rxn:4:199829:223179,CONC(=O)c1cc(-c2ccc(Cl)c(CCN3CCN(C(=O)OC(C)(C)C)C(C)C3)c2)ccc1F,YABVFHFKMOAMMX-UHFFFAOYSA-N
-rxn:4:199830:223179,CONC(=O)c1cc(-c2ccc(Cl)c(CCN3CCN(C(=O)OC(C)(C)C)CC3C)c2)ccc1F,IOYVLFHOKDGOCJ-UHFFFAOYSA-N
-rxn:4:199832:223279,CC1CN(CCc2cc(F)ccc2-c2cnc(C3CCCN3)nc2)CCN1C(=O)OC(C)(C)C,MMKSDUSZHFXMFX-UHFFFAOYSA-N
-rxn:4:199833:223179,CONC(=O)c1cc(-c2ccc(F)c(CCN3CCN(C(=O)OC(C)(C)C)C(C)C3)c2)ccc1F,JGGVFIKNBDLQCO-UHFFFAOYSA-N
-rxn:4:199834:223279,CC1CN(CCc2ccc(F)c(-c3cnc(C4CCCN4)nc3)c2)CCN1C(=O)OC(C)(C)C,BXUGHJQWXALLAN-UHFFFAOYSA-N
-rxn:4:199835:226844,CC1CN(C(=O)OC(C)(C)C)CCN1CCc1ccc(F)c(-c2ccnc(C(=O)C(F)(F)F)c2)c1,QAUZKMPGVUZHOM-UHFFFAOYSA-N
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-rxn:4:199842:225522,CCCCOc1cc(OC)cc(-c2ccc(C(F)(F)F)cc2CN2CCN(C(=O)OC(C)(C)C)CC2C)c1,BQNHHORDHYOJJH-UHFFFAOYSA-N
-rxn:4:199842:226981,CCCCCCc1ccsc1-c1ccc(C(F)(F)F)cc1CN1CCN(C(=O)OC(C)(C)C)CC1C,ZZFRJHTVHJFHCL-UHFFFAOYSA-N
-rxn:4:199844:223179,CONC(=O)c1cc(-c2ccccc2C(=O)N(Cc2ccc(N(C)C)cc2)C2CCS(=O)(=O)C2)ccc1F,RTUOCQCOENXSRA-UHFFFAOYSA-N
-rxn:4:199845:226844,COc1cc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)c(OC)cc1-c1ccnc(C(=O)C(F)(F)F)c1,REOXGPMUOPIBQI-UHFFFAOYSA-N
-rxn:4:199850:223179,CONC(=O)c1cc(-c2ccc(C3=NC(C)(C)N(C(=O)c4cc(OC)c(OC)c(OC)c4)C3=S)cc2)ccc1F,YOLYMJUQTMBQJK-UHFFFAOYSA-N
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-rxn:4:199855:223179,CONC(=O)c1cc(-c2cc(OC)c(S(=O)(=O)N3CCN(c4ccccc4OC)CC3)cc2OC)ccc1F,VXUGJHXSXPLOOF-UHFFFAOYSA-N
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-rxn:4:199862:223179,CCCOc1ccc(-c2ccc(F)c(C(=O)NOC)c2)cc1S(=O)(=O)N1CCN(c2cccc(Cl)c2C)CC1,SQINDOWMZLHZTG-UHFFFAOYSA-N
-rxn:4:199862:226844,CCCOc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1S(=O)(=O)N1CCN(c2cccc(Cl)c2C)CC1,HJWIOYZWOFIQGD-UHFFFAOYSA-N
-rxn:4:199863:225312,CCCOc1cc(S(=O)(=O)N2CCN(c3ccc(C)c(Cl)c3)CC2)ccc1-c1cnc(N2CCCN(C)CC2)nc1,QNANUZCJQQQOLZ-UHFFFAOYSA-N
-rxn:4:199866:223279,O=C(C(=Cc1ccc(-c2ccc(-c3cnc(C4CCCN4)nc3)cc2)o1)C(=O)N1CCOCC1)N1CCOCC1,QRUYJJZAXNOHBO-UHFFFAOYSA-N
-rxn:4:199866:224908,Cc1cccc(Oc2cccc(-c3ccc(-c4ccc(C=C(C(=O)N5CCOCC5)C(=O)N5CCOCC5)o4)cc3)c2)c1,NDKKMKDOEPMELA-UHFFFAOYSA-N
-rxn:4:199867:223179,CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(-c2ccc(F)c(C(=O)NOC)c2)c(C2OCCO2)c1,IDHIIMSTCRZMPI-UHFFFAOYSA-N
-rxn:4:199867:226844,CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)c(C2OCCO2)c1,PYBJWTNQWLJTNI-UHFFFAOYSA-N
-rxn:4:199868:226844,COc1cc(C(=O)N2C(=S)C(c3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3)=NC23CCCC3)cc(OC)c1OC,KMWRFMUVVMNUJG-UHFFFAOYSA-N
-rxn:4:199878:226844,CC1CN(Cc2cc(-c3ccnc(C(=O)C(F)(F)F)c3)cc(C(C)(C)C)c2)CCN1C(=O)OC(C)(C)C,HCZRQQWVTIDNDB-UHFFFAOYSA-N
-rxn:4:199881:226844,COc1cc(C(=O)N2C(=S)C(c3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3)=NC23CCCCCC3)cc(OC)c1OC,RIGUGJPWVIRSDD-UHFFFAOYSA-N
-rxn:4:199882:226844,C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)CN1Cc1cc(-c2ccnc(C(=O)C(F)(F)F)c2)cc(C(C)(C)C)c1,QZHGSQOTTFQHRD-MOPGFXCFSA-N
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-rxn:4:199981:223179,CCCCCCN1C(=O)C(=C2C(=O)N(CC)c3ccc(-c4ccc(F)c(C(=O)NOC)c4)cc32)SC1=S,LMFXKCZBPWZXLA-UHFFFAOYSA-N
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-rxn:4:200013:223179,CCC1SC2=NC(C)=C(C(=O)OC(C)C)C(c3cc(-c4ccc(F)c(C(=O)NOC)c4)ccc3OC)N2C1=O,QTCZKNINZCCJHY-UHFFFAOYSA-N
-rxn:4:200014:223179,CONC(=O)c1cc(-c2ccc(OC)c(C3C(C(=O)OCC(C)C)=C(C)N=C4SCCC(=O)N43)c2)ccc1F,UZXGQECGRQAXTJ-UHFFFAOYSA-N
-rxn:4:200023:226498,CCN(CC)c1ncc(-c2ccc(CN3CCc4c(OCC(=O)N5CCOCC5)cccc4C3=O)cc2)cc1Cl,XUUHLQIUSDDAFO-UHFFFAOYSA-N
-rxn:4:200025:223279,CCCCN1C(=O)C(=C2SC(=S)N(Cc3ccc(OC)cc3)C2=O)c2cc(-c3cnc(C4CCCN4)nc3)ccc21,ZTAFNOOCFDNEKS-UHFFFAOYSA-N
-rxn:4:200031:225260,CCN(CC)S(=O)(=O)c1ccc(-c2cc3c(c(S(=O)(=O)CCC(=O)N4CCc5ccccc5C4)c2)N(C(C)=O)CC3)cc1,WCBNFECDGOMRKH-UHFFFAOYSA-N
-rxn:4:200032:222625,CCN1C(=O)C(=C2SC(=S)N(CCc3ccc(OC)c(OC)c3)C2=O)c2cc(-c3cccc(C(=O)Nc4ccc(C)cc4)c3)ccc21,TWGFUXUVIJOANJ-UHFFFAOYSA-N
-rxn:4:200042:225300,O=C(C(=O)N1CCCc2cc(-c3ccc(OC4CCOCC4)nc3F)ccc21)c1cn(Cc2cccc(C(F)(F)F)c2)c2ccccc12,REXXTBPVXCVBIP-UHFFFAOYSA-N
-rxn:4:200048:223179,CONC(=O)c1cc(-c2ccc(-c3n(CC(=O)OC4CC(C)CCC4C(C)C)c4ccccc4[n+]3C)cc2)ccc1F,FFALUEUXKIPOPM-UHFFFAOYSA-O
-rxn:4:200048:226844,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3)[n+](C)c3ccccc32)C1,NNECTGPOYZIPGM-UHFFFAOYSA-N
-rxn:4:200049:223810,Cc1cc(-c2ccc(-c3nc4ccccn4c3Sc3c(C(C)C)cc(C(C)C)cc3C(C)C)cc2)cc(C)c1S(=O)(=O)N1CCC(C)CC1,LNKFXGYFPVPIGN-UHFFFAOYSA-N
-rxn:4:200055:224253,CC1CCCCN1C(=O)c1cc(-c2ccccc2C(=O)OCCN2C(=O)c3cccc4c(N5CCOCC5)ccc(c34)C2=O)ccc1F,JUXDBXROBASRMK-UHFFFAOYSA-N
-rxn:4:200066:226844,CCOc1ccc(C2=NN3C(C2)c2cc(-c4ccnc(C(=O)C(F)(F)F)c4)ccc2OC3c2ccc(OC)c(OC)c2)cc1,NJMKHFDNWHVGKE-UHFFFAOYSA-N
-rxn:4:200105:222623,CCOC(=O)c1c(C#N)cc(-c2cc(C(C)CC)nc(C3CCNCC3)c2)cc1[N+](=O)[O-],AFIRMZMUQBVDGR-UHFFFAOYSA-N
-rxn:4:200112:224395,CCOC(=O)c1cc([N+](=O)[O-])cc(C#N)c1-c1cc(N2CCOCC2)cc(C(F)(F)F)c1,XSSNGXLJYACMBJ-UHFFFAOYSA-N
-rxn:4:200172:223948,COC(=O)c1cc(C(=O)OC(C)(C)C)cc(-c2ccn(COC(=O)OC(C)(C)C)n2)c1,ATYYECKTTYALRT-UHFFFAOYSA-N
-rxn:4:200254:223580,COC(=O)c1ccc2c(c1)cc(-c1cccc(Cn3nc(C(F)(F)F)cc3C(=O)OC)c1)n2C(=O)OC(C)(C)C,ZXRLSNIHOYZMJN-UHFFFAOYSA-N
-rxn:4:200280:225114,CCC(=O)N1CCN=C1SCc1ccc(-c2csc(CO[Si](C)(C)C(C)(C)C)c2)cc1,WEUIGCLDIQSBFP-UHFFFAOYSA-N
-rxn:4:200321:222720,COCC(=O)N1CCC(Cc2cccc(-c3ccc(N4CCNCC4)cc3C(F)(F)F)n2)C1,QFIWDQXJJCYHGP-UHFFFAOYSA-N
-rxn:4:200323:224421,CC(C)c1cc(C(C)C)c(-c2ccc(OCC3CN(C(=O)N(C)C)C3)cc2)c(C(C)C)c1,FWKDJXAXCBSSOL-UHFFFAOYSA-N
-rxn:4:200356:222616,CC(C)(C)c1cc(-c2ccccc2CCCN2CCC(C#N)CC2)cc(C2CCNCC2)c1,FYTWWOPKCAREMR-UHFFFAOYSA-N
-rxn:4:200378:223591,CC(C)(C)OC(=O)N1CCN(c2ccc(F)c(-c3ccc(C(=O)N4CCN=C4SCc4ccccc4)cc3)c2)CC1,BVPXIXLFYSMTTK-UHFFFAOYSA-N
-rxn:4:200386:223179,CONC(=O)c1cc(-c2ccc(CC(=O)N3CC(CN4C(=O)COC4=O)C3)cc2)ccc1F,AXDSVRCVRSOIET-UHFFFAOYSA-N
-rxn:4:200400:224255,CC1CCCN(C(=O)c2cc(F)cc(-c3ccc(C(=O)N4CCN=C4SCc4ccccc4F)cc3)c2)C1,APSGTDRUSKWGKR-UHFFFAOYSA-N
-rxn:4:200431:223994,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1ccc(C(=O)N2CCC(CSC3=NCCS3)CC2)o1,ZNDPLZOZXMNLIV-UHFFFAOYSA-N
-rxn:4:200441:223279,CCOC(=O)c1nc(N2CCC(C(F)(F)F)CC2)ccc1-c1cnc(C2CCCN2)nc1,UEEXNEWOQVCDHO-UHFFFAOYSA-N
-rxn:4:200441:226274,CCOC(=O)c1nc(N2CCC(C(F)(F)F)CC2)ccc1-c1ccc(OC(C)C)c(C#N)c1,HUUFZMRJXUMTSY-UHFFFAOYSA-N
-rxn:4:200472:224291,CC1CCN(CCOc2ccc([N+](=O)[O-])cc2-c2ccc(OCCN3CCOCC3)c(F)c2)CC1,COZXKSYSKSRUEE-UHFFFAOYSA-N
-rxn:4:200483:226844,CCN1CCN(Cc2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2OC(F)(F)F)CC1,USZKOJKMMAMGGM-UHFFFAOYSA-N
-rxn:4:200493:223279,O=C(Cc1ccc(-c2cnc(C3CCCN3)nc2)cc1)N1CC(CN2C(=O)CCC2=O)C1,CVCLJQBIUHGOGV-UHFFFAOYSA-N
-rxn:4:200519:223079,CC(C)NS(=O)(=O)c1cccc(-c2ccc(C(=O)N3CCC[C@H]3C(=O)OC(C)(C)C)nc2)c1,PAJSIFMORVBEEZ-NRFANRHFSA-N
-rxn:4:200519:223179,CONC(=O)c1cc(-c2ccc(C(=O)N3CCC[C@H]3C(=O)OC(C)(C)C)nc2)ccc1F,NDTAHCSXSADTGS-IBGZPJMESA-N
-rxn:4:200520:223279,O=C(CCc1ccc(-c2cnc(C3CCCN3)nc2)cc1)N1CCC(N2C(=O)CSC2=O)C1,YGNIEOUKZXAQRU-UHFFFAOYSA-N
-rxn:4:200555:222912,CC(C)CNS(=O)(=O)c1ccc(-c2cccc(CC3CCN(C(=O)OC(C)(C)C)C3)n2)cc1,GKTYZJKKEGXJSY-UHFFFAOYSA-N
-rxn:4:200566:222504,CCOc1cc(S(=O)(=O)N2CCN(C(C)=O)CC2)ccc1-c1ccc(F)c(C(=O)NCc2ccc(F)cc2)c1,NENKFRWSUDRBFY-UHFFFAOYSA-N
-rxn:4:200566:223179,CCOc1cc(S(=O)(=O)N2CCN(C(C)=O)CC2)ccc1-c1ccc(F)c(C(=O)NOC)c1,XABMHPZQXUVBNJ-UHFFFAOYSA-N
-rxn:4:200569:226470,CCOC(=O)CCc1cc(-c2cccnc2OC2CCN(C(=O)OC3CCOCC3)C2)cs1,DGKQPZZZALLMNE-UHFFFAOYSA-N
-rxn:4:200573:223179,CONC(=O)c1cc(-c2ccc(Cl)c(C(=O)N3CCC(CSC4=NCCS4)CC3)c2)ccc1F,XJQRUILAAPQNTA-UHFFFAOYSA-N
-rxn:4:200575:223179,CONC(=O)c1cc(-c2ccc(C3CCN(C(=O)OC(C)(C)C)C3)nc2C(F)(F)F)ccc1F,GIUGEXKDNNAZQF-UHFFFAOYSA-N
-rxn:4:200597:223179,CONC(=O)c1cc(-c2cccc(OC3CCCN(C(=O)OC(C)(C)C)C3)n2)ccc1F,NMPKJBNFWBIISP-UHFFFAOYSA-N
-rxn:4:200597:226527,CCOC(=O)c1ccc(F)cc1-c1cccc(OC2CCCN(C(=O)OC(C)(C)C)C2)n1,YXRCVLXPTXLHCO-UHFFFAOYSA-N
-rxn:4:200599:223179,CCOc1cc(S(=O)(=O)N2CCN(CC)CC2)ccc1-c1ccc(F)c(C(=O)NOC)c1,AXXOXGBUOXZSEE-UHFFFAOYSA-N
-rxn:4:200600:223179,CCCOc1cc(S(=O)(=O)N2CCN(C)CC2)ccc1-c1ccc(F)c(C(=O)NOC)c1,VPWKHSWYAMWQHG-UHFFFAOYSA-N
-rxn:4:200600:223903,CCCOc1cc(S(=O)(=O)N2CCN(C)CC2)ccc1-c1ccccc1CCC(=O)N1CCC(=O)CC1,KVDZVMKGPKXTON-UHFFFAOYSA-N
-rxn:4:200600:226844,CCCOc1cc(S(=O)(=O)N2CCN(C)CC2)ccc1-c1ccnc(C(=O)C(F)(F)F)c1,PNLWHWHMMDWYCQ-UHFFFAOYSA-N
-rxn:4:200604:226844,CC(C)(C)OC(=O)N1CCC[C@@H](Oc2cncc(-c3ccnc(C(=O)C(F)(F)F)c3)c2)C1,UOMKDNLPWLTHSL-MRXNPFEDSA-N
-rxn:4:200605:226844,Cc1nc(OC2CCN(C(=O)OC(C)(C)C)C2)ccc1-c1ccnc(C(=O)C(F)(F)F)c1,JLEKSRAAKADODF-UHFFFAOYSA-N
-rxn:4:200607:226844,CC(C)(C)OC(=O)N1CCC(Oc2ncccc2-c2ccnc(C(=O)C(F)(F)F)c2)CC1,NWCUHNCVLPWHDX-UHFFFAOYSA-N
-rxn:4:200608:223179,CONC(=O)c1cc(-c2cnc(OC)c(C3CCN(C(=O)OC(C)(C)C)C3)c2)ccc1F,FZZLBDKGELBBCT-UHFFFAOYSA-N
-rxn:4:200609:223279,CC(C)N1CCN(Cc2ccc(-c3cnc(C4CCCN4)nc3)cc2OC(F)(F)F)CC1,NBFCJEKNIDPEAD-UHFFFAOYSA-N
-rxn:4:200609:224705,CC1CCN(c2ccc(-c3ccc(CN4CCN(C(C)C)CC4)c(OC(F)(F)F)c3)c(F)c2F)CC1,NRTCVUHQLNELRW-UHFFFAOYSA-N
-rxn:4:200609:226844,CC(C)N1CCN(Cc2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2OC(F)(F)F)CC1,WEBUPWIXUHSLLI-UHFFFAOYSA-N
-rxn:4:200611:223179,CONC(=O)c1cc(-c2cnc(OC3CCCN(C(=O)OC(C)(C)C)C3)c(F)c2)ccc1F,SQLCPOGJPJZTCX-UHFFFAOYSA-N
-rxn:4:200611:223279,CC(C)(C)OC(=O)N1CCCC(Oc2ncc(-c3cnc(C4CCCN4)nc3)cc2F)C1,DIGFSGKBUBIGND-UHFFFAOYSA-N
-rxn:4:200643:227701,COC(=O)c1cc(-c2ccc(C(=O)C3CCN(C(=O)OC(C)(C)C)CC3)cn2)c(F)cn1,CYXBJQCMMPECTD-UHFFFAOYSA-N
-rxn:4:200644:224656,CCN1CCN(S(=O)(=O)c2cc(OC)c(-c3ccc(OC)c(OC4CCCC4)c3F)cc2OC)CC1,JPWQMNYEUHFRRD-UHFFFAOYSA-N
-rxn:4:200644:225218,CCN1CCN(S(=O)(=O)c2cc(OC)c(-c3cnc(N4CCCC(C)C4)c(Cl)c3)cc2OC)CC1,QPQIERFEWUVPMU-UHFFFAOYSA-N
-rxn:4:200647:223279,CC(C)(C)OC(=O)N1CCC(C#N)(c2ccc(-c3cnc(C4CCCN4)nc3)cc2)CC1,GNPMASOBIILJPH-UHFFFAOYSA-N
-rxn:4:200650:223279,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccccc2-c2cnc(C3CCCN3)nc2)CC1,XVFHNHPSMZTFRP-UHFFFAOYSA-N
-rxn:4:200656:226844,CC(C)(C)OC(=O)N1CCC(c2ccc(C#N)c(-c3ccnc(C(=O)C(F)(F)F)c3)c2)CC1,SGGOVXGNIASRIS-UHFFFAOYSA-N
-rxn:4:200657:223179,CONC(=O)c1cc(-c2cc(C3CCCN(C(=O)OC(C)(C)C)C3)ccc2C#N)ccc1F,YUVOGSCKQHPGTR-UHFFFAOYSA-N
-rxn:4:200657:223279,CC(C)(C)OC(=O)N1CCCC(c2ccc(C#N)c(-c3cnc(C4CCCN4)nc3)c2)C1,WYONNRUMXLTOIK-UHFFFAOYSA-N
-rxn:4:200657:226844,CC(C)(C)OC(=O)N1CCCC(c2ccc(C#N)c(-c3ccnc(C(=O)C(F)(F)F)c3)c2)C1,NTGRZDCBKLATNE-UHFFFAOYSA-N
-rxn:4:200661:223279,CC(C)(C)OC(=O)N1CCC(C#N)(c2c(F)cccc2-c2cnc(C3CCCN3)nc2)CC1,FYHUORMCCGJZOB-UHFFFAOYSA-N
-rxn:4:200671:223179,CONC(=O)c1cc(-c2ccccc2CCC(=O)N2CCC(N3C(=O)COC3=O)CC2)ccc1F,QTZAEBQKSASZFT-UHFFFAOYSA-N
-rxn:4:200693:223179,CONC(=O)c1cc(-c2cccc(N3CCN(CC(=O)OC(C)(C)C)CC3)c2)ccc1F,QZPIUBRMGWOYJU-UHFFFAOYSA-N
-rxn:4:200698:223179,CONC(=O)c1cc(-c2ccc(CN3CCN(C(C)C)CC3)c(C(=O)OC)c2)ccc1F,KUYVEPPVSIHFRW-UHFFFAOYSA-N
-rxn:4:200699:223179,CONC(=O)c1cc(-c2ccc(C(=O)OC)cc2CN2CCN(C(C)C)CC2)ccc1F,MTAFSIVADOKTRS-UHFFFAOYSA-N
-rxn:4:200700:223279,CC(C)(C)OC(=O)N1CCN(Cc2cc(Cl)cc(-c3cnc(C4CCCN4)nc3)c2)CC1,FFHMFUMZVRJJCR-UHFFFAOYSA-N
-rxn:4:200702:222833,CC(C)CCC(=O)Nc1cccc(-c2cc(CN3CCN(C(=O)OC(C)(C)C)CC3)ccc2Cl)c1,LCWUFRPBEUPAGC-UHFFFAOYSA-N
-rxn:4:200708:223525,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cccc(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c3)c(F)c2)CC1,FDZKRKMVPRKTOW-UHFFFAOYSA-N
-rxn:4:200711:223179,CONC(=O)c1cc(-c2cccc(F)c2CN2CCN(C(=O)OC(C)(C)C)CC2)ccc1F,SGMQYGXXHNDTGU-UHFFFAOYSA-N
-rxn:4:200711:223279,CC(C)(C)OC(=O)N1CCN(Cc2c(F)cccc2-c2cnc(C3CCCN3)nc2)CC1,BTFQHHQXPSMCPE-UHFFFAOYSA-N
-rxn:4:200712:223279,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)ccc2-c2cnc(C3CCCN3)nc2)CC1,WNILSMZSHZTTCE-UHFFFAOYSA-N
-rxn:4:200713:223179,CONC(=O)c1cc(-c2cccc(CN3CCN(C(=O)OC(C)(C)C)CC3)c2F)ccc1F,YTIJPRIVDDLVMS-UHFFFAOYSA-N
-rxn:4:200715:223577,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3cc(C(F)F)nc(C4CCCN(C(=O)OC(C)(C)C)C4)c3)cc2)CC1,ZFMABCMXZFDGAS-UHFFFAOYSA-N
-rxn:4:200715:226844,CC(C)(C)OC(=O)N1CCCC(c2cc(-c3ccnc(C(=O)C(F)(F)F)c3)cc(C(F)F)n2)C1,KBXFKJPTDYTNPC-UHFFFAOYSA-N
-rxn:4:200719:223179,CCOC(=O)N1CCN(S(=O)(=O)c2cc(-c3ccc(F)c(C(=O)NOC)c3)c(C)cc2C)CC1,ZBAMNYBUSCDXAQ-UHFFFAOYSA-N
-rxn:4:200719:223279,CCOC(=O)N1CCN(S(=O)(=O)c2cc(-c3cnc(C4CCCN4)nc3)c(C)cc2C)CC1,GPMFGSGCOQBFGM-UHFFFAOYSA-N
-rxn:4:200724:223279,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(-c3cnc(C4CCCN4)nc3)cc2Cl)CC1,JBRPEDPIELUDAE-UHFFFAOYSA-N
-rxn:4:200725:223279,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cnc(C4CCCN4)nc3)cc(C(F)(F)F)c2)CC1,XJDXXUMZUUUGTE-UHFFFAOYSA-N
-rxn:4:200725:228742,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cc(Cl)cc(C#N)c3)cc(C(F)(F)F)c2)CC1,HDRPAEIMANDYAU-UHFFFAOYSA-N
-rxn:4:200728:223279,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cc(-c3cnc(C4CCCN4)nc3)ccc2F)CC1,KUAPEUNTFXFHFZ-UHFFFAOYSA-N
-rxn:4:200729:223179,CONC(=O)c1cc(-c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)ccc2C(F)(F)F)ccc1F,MMDIXFDQDKAKTH-UHFFFAOYSA-N
-rxn:4:200731:223179,CONC(=O)c1cc(-c2cccc(C(F)(F)F)c2N2CCN(C(=O)OC(C)(C)C)CC2)ccc1F,ZBCUDHFFKYARPK-UHFFFAOYSA-N
-rxn:4:200733:224005,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(Cl)c(-c4ccccc4C(F)(F)F)c3)cc2C(F)(F)F)CC1,CEMGLBDKNBQIDP-UHFFFAOYSA-N
-rxn:4:200733:224276,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cn(C(=O)OC(C)(C)C)c4cccnc34)cc2C(F)(F)F)CC1,MGHMSLOXIOWECZ-UHFFFAOYSA-N
-rxn:4:200733:226844,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2C(F)(F)F)CC1,OYBIALRVAZUJKN-UHFFFAOYSA-N
-rxn:4:200734:224998,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(-c3cccc(C(=O)N4CCCCC4)c3)c(F)c2)CC1,DVRCFZDQEGJCAV-UHFFFAOYSA-N
-rxn:4:200736:226844,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)c(C(F)(F)F)n2)CC1,XXSFSOZUYGUOTP-UHFFFAOYSA-N
-rxn:4:200737:223179,CONC(=O)c1cc(-c2ccc(C3CCCN(C(=O)OC(C)(C)C)C3)nc2C(F)(F)F)ccc1F,GUMSAXMEQLVKKP-UHFFFAOYSA-N
-rxn:4:200745:222743,CC(c1ccc(-c2cc(C(=O)OC(C)(C)C)cc(C3=NOC(c4ccccn4)C3)c2)cc1)N1CCC(O)CC1,XMNCAQAKJASVMV-UHFFFAOYSA-N
-rxn:4:200756:226844,COC1CCN(C2CN(C(=O)Cc3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3)C2)CC1,VXVJRWDAXKSMMG-UHFFFAOYSA-N
-rxn:4:200758:223279,COc1cc(-c2cnc(C3CCCN3)nc2)cc(OC)c1C(=O)N1CCN(C(C)C)CC1,HYNYPJXZOSBMMA-UHFFFAOYSA-N
-rxn:4:200760:223179,CONC(=O)c1cc(-c2cnc(OC3CCN(C(=O)OC(C)(C)C)CC3)cc2C)ccc1F,DKILGVTYCWHCHT-UHFFFAOYSA-N
-rxn:4:200760:223531,Cc1cc(OC2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1ccc(CN2CCN(C(=O)OC(C)(C)C)CC2)c(Cl)c1,CNTATIGTNAFLBP-UHFFFAOYSA-N
-rxn:4:200760:225564,COC(=O)C(C)(C)c1cccc(-c2cnc(OC3CCN(C(=O)OC(C)(C)C)CC3)cc2C)c1,YYSBYEZCGFWCGY-UHFFFAOYSA-N
-rxn:4:200761:223179,CONC(=O)c1cc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2OC)ccc1F,VKIITXCCXUPIHK-UHFFFAOYSA-N
-rxn:4:200761:226844,COc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1-c1ccnc(C(=O)C(F)(F)F)c1,FFHQRPIWLZKSJP-UHFFFAOYSA-N
-rxn:4:200763:226282,COc1ncc(-c2cccc(OCC(C)C)c2F)cc1C1CCN(C(=O)OC(C)(C)C)CC1,IOBUBXVPDBDBMO-UHFFFAOYSA-N
-rxn:4:200764:223279,CC(C)(C)OC(=O)N1CC2(CN(Cc3ccc(-c4cnc(C5CCCN5)nc4)cc3F)C2)C1,JFAHZPJDNGOWSE-UHFFFAOYSA-N
-rxn:4:200773:222892,COc1ccc(OC)c(C2CC(c3ccc(-c4ccc(N5CCNCC5)cc4OC)cc3)=NN2S(C)(=O)=O)c1,QYQDKMCPOJYAMS-UHFFFAOYSA-N
-rxn:4:200780:223179,CONC(=O)c1cc(-c2ccc(OC)cc2C(=O)N2CC(N3CCC(OC)CC3)C2)ccc1F,GSZCMLICIKBKQT-UHFFFAOYSA-N
-rxn:4:200781:223179,CONC(=O)c1cc(-c2cc(C)ccc2C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)ccc1F,HSLQTFWNLYXBJD-UHFFFAOYSA-N
-rxn:4:200781:226844,Cc1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c(-c2ccnc(C(=O)C(F)(F)F)c2)c1,JPKOTALSCFSGKH-UHFFFAOYSA-N
-rxn:4:200783:224612,Cc1cc(-c2ccc(OCCN3CCOCC3)cc2)ccc1C1(C#N)CCN(C(=O)OC(C)(C)C)CC1,ZALPBTNBZJDBAN-UHFFFAOYSA-N
-rxn:4:200789:223179,CONC(=O)c1cc(-c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3C)cc2F)ccc1F,WPVZGDXLXPWWSY-UHFFFAOYSA-N
-rxn:4:200790:223279,C[C@@H]1CN(C(=O)c2ccc(-c3cnc(C4CCCN4)nc3)c(F)c2)CCN1C(=O)OC(C)(C)C,RDKLDFOMYJRPOM-UJONTBEJSA-N
-rxn:4:200791:223179,CONC(=O)c1cc(-c2cc(C(=O)N3CCN(C(=O)OC(C)(C)C)[C@@H](C)C3)ccc2F)ccc1F,VAZLJVVQQJUBEW-HNNXBMFYSA-N
-rxn:4:200807:223179,CONC(=O)c1cc(-c2ccc(S(=O)(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)cc2OC)ccc1F,PGXGTQBQKULHLA-UHFFFAOYSA-N
-rxn:4:200807:223969,COc1cc(S(=O)(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)ccc1-c1cc(C(F)(F)F)ccc1N1CCC(C)CC1,JWPBPGJCFFYQBA-UHFFFAOYSA-N
-rxn:4:200811:226844,CN1CCN(C(=O)COc2ccc(C(C)(C)C)cc2-c2ccnc(C(=O)C(F)(F)F)c2)CC1,UGXLXNHKSRCHCH-UHFFFAOYSA-N
-rxn:4:200819:223179,CONC(=O)c1cc(-c2cc(F)cc(CN3CCN(C(=O)OC(C)(C)C)C(C)C3)c2)ccc1F,AFHXDJJPMOGYFO-UHFFFAOYSA-N
-rxn:4:200820:223858,COc1cc2c(cc1-c1ccc(CN3CCN(C(=O)OC(C)(C)C)[C@H](C)C3)cc1F)-c1ccccc1C2(C)C,QXZWQLPAMGHMOD-OAQYLSRUSA-N
-rxn:4:200820:226844,C[C@@H]1CN(Cc2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)c(F)c2)CCN1C(=O)OC(C)(C)C,ZCVBDMZNOMSXHM-OAHLLOKOSA-N
-rxn:4:200822:222851,CCc1cc(-c2cccc(S(=O)(=O)N3CCCN(C(=O)OC(C)(C)C)CC3)c2)cc(C2CCNCC2)n1,MLTXHYAPEASHRX-UHFFFAOYSA-N
-rxn:4:200822:226844,CC(C)(C)OC(=O)N1CCCN(S(=O)(=O)c2cccc(-c3ccnc(C(=O)C(F)(F)F)c3)c2)CC1,GNRMYEGXKCVZTF-UHFFFAOYSA-N
-rxn:4:200825:223279,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1cnc(C2CCCN2)nc1,YDNGWZXBEJKTPL-UHFFFAOYSA-N
-rxn:4:200826:223279,Cc1cc(-c2cnc(C3CCCN3)nc2)cc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1,QZTCFNKQGUBKBD-UHFFFAOYSA-N
-rxn:4:200827:223179,CONC(=O)c1cc(-c2cc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)C(C)C3)c(F)cc2F)ccc1F,YPGVMVOTRUQIJU-UHFFFAOYSA-N
-rxn:4:200828:223179,CONC(=O)c1cc(-c2cc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3C)c(F)cc2F)ccc1F,ZPAWESBZDXWXNP-UHFFFAOYSA-N
-rxn:4:200828:226534,COC(=O)c1cc(OC)ccc1-c1cc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2C)c(F)cc1F,KKXKVARCUOSLBZ-UHFFFAOYSA-N
-rxn:4:200832:223179,CONC(=O)c1cc(-c2cc(OC)c(S(=O)(=O)N3CCN(c4ccc(F)cc4)CC3)cc2OC)ccc1F,AYGJIOZMJCXHKM-UHFFFAOYSA-N
-rxn:4:200840:223279,COC(=O)C1CCCN(Cc2ccc(-c3cnc(C4CCCN4)nc3)cc2N2CCCC2)C1,YNQAFQBXQCRSBC-UHFFFAOYSA-N
-rxn:4:200840:226844,COC(=O)C1CCCN(Cc2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2N2CCCC2)C1,NARDLQWTWISPAB-UHFFFAOYSA-N
-rxn:4:200841:223279,COC(=O)C1CCN(Cc2ccc(-c3cnc(C4CCCN4)nc3)cc2N2CCCC2)CC1,NMTSJBPOQYWMLJ-UHFFFAOYSA-N
-rxn:4:200841:226844,COC(=O)C1CCN(Cc2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2N2CCCC2)CC1,VBKOVGWUHPUOBG-UHFFFAOYSA-N
-rxn:4:200843:226844,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)c(C3CC3)c2)CC1,FLCJBQJDHSVLRO-UHFFFAOYSA-N
-rxn:4:200844:226844,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2C2CC2)CC1,PBBUCQPFZPHWHD-UHFFFAOYSA-N
-rxn:4:200846:223179,CONC(=O)c1cc(-c2ccc(C3CC3)cc2N2CCN(C(=O)OC(C)(C)C)CC2)ccc1F,PSOZSVQMZOAWCY-UHFFFAOYSA-N
-rxn:4:200847:223179,CONC(=O)c1cc(-c2cc(C3CC3)ccc2N2CCN(C(=O)OC(C)(C)C)CC2)ccc1F,MTKIKEOYPDWDJL-UHFFFAOYSA-N
-rxn:4:200847:226844,CC(C)(C)OC(=O)N1CCN(c2ccc(C3CC3)cc2-c2ccnc(C(=O)C(F)(F)F)c2)CC1,RGRPSAHYPFQKNQ-UHFFFAOYSA-N
-rxn:4:200848:223179,CONC(=O)c1cc(-c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)ccc2C2CC2)ccc1F,DKXUJJAUYADFMG-UHFFFAOYSA-N
-rxn:4:200856:227747,Cc1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)ccc1-c1ccc(Cl)cc1C(F)(F)F,WFTMQWVWMVBJNJ-INIZCTEOSA-N
-rxn:4:200857:223279,Cc1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)cc1-c1cnc(C2CCCN2)nc1,RNFOSLWHQOIZNY-ZZWBGTBQSA-N
-rxn:4:200862:226844,CCOc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1S(=O)(=O)N1CCN(c2ccc(C)c(Cl)c2)CC1,LLIDCXZINLQZEA-UHFFFAOYSA-N
-rxn:4:200863:223179,CONC(=O)c1cc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)[C@@H](C)C3)cc2C)ccc1F,VHXPEICFHXLZCK-SFHVURJKSA-N
-rxn:4:200865:226844,CC(c1cccc(-c2ccnc(C(=O)C(F)(F)F)c2)c1)N1CCN(C(=O)OC(C)(C)C)C(C)C1,RMUCMMCWLCCUSB-UHFFFAOYSA-N
-rxn:4:200869:226844,Cc1cc(CN2CCN(C(=O)OC(C)(C)C)C(C)C2)cc(-c2ccnc(C(=O)C(F)(F)F)c2)c1,JCWYNNFHYLPAHS-UHFFFAOYSA-N
-rxn:4:200870:223179,CONC(=O)c1cc(-c2cc(CN3C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@@H]3C)ccc2F)ccc1F,RYGHQBSECBINPB-DLBZAZTESA-N
-rxn:4:200872:224246,Cc1cc(-c2ccc(C(=O)N3CCC(C)CC3)c(F)c2)cc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)c1,LMJDLACAUDUEPR-QFIPXVFZSA-N
-rxn:4:200872:224769,Cc1cc(-c2ccc(N3CCCC3)cc2C(F)(F)F)cc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)c1,KUPSDCQXMXMSIW-FQEVSTJZSA-N
-rxn:4:200873:223179,CONC(=O)c1cc(-c2ccc(OC)cc2C(=O)N2CCC(Oc3cc(C)n(C)c(=O)c3)CC2)ccc1F,KTOFJNCLESFSNP-UHFFFAOYSA-N
-rxn:4:200879:223179,CONC(=O)c1cc(-c2ccc(OC)c(CN3CCCC(C(=O)N4CCCCC4)C3)c2)ccc1F,UPDZIFNWQKFLEF-UHFFFAOYSA-N
-rxn:4:200879:226844,COc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1CN1CCCC(C(=O)N2CCCCC2)C1,WTKLBHLOQWLQRF-UHFFFAOYSA-N
-rxn:4:200882:223179,CONC(=O)c1cc(-c2cccc(CN3CC4(CCN(C(=O)OC(C)(C)C)CC4)C3)c2)ccc1F,NGMVCKGQNLBQQH-UHFFFAOYSA-N
-rxn:4:200883:226844,CC(C)(C)OC(=O)N1CCC2(CC1)CN(Cc1ccccc1-c1ccnc(C(=O)C(F)(F)F)c1)C2,GOLUVDHVTVIWRO-UHFFFAOYSA-N
-rxn:4:200885:223179,CONC(=O)c1cc(-c2ccc(CN3CCC(C(=O)OC)CC3)c(N3CCCCC3)c2)ccc1F,XRSFJPNZGVEJRA-UHFFFAOYSA-N
-rxn:4:200885:223279,COC(=O)C1CCN(Cc2ccc(-c3cnc(C4CCCN4)nc3)cc2N2CCCCC2)CC1,CFKCTZFODGBHSP-UHFFFAOYSA-N
-rxn:4:200890:223179,CCOc1ccc(-c2ccc(F)c(C(=O)NOC)c2)cc1S(=O)(=O)N1CCN(c2ccc(C)c(C)c2)CC1,WFTGEWIVMWSUKH-UHFFFAOYSA-N
-rxn:4:200893:223179,CCOc1ccc(-c2ccc(F)c(C(=O)NOC)c2)cc1S(=O)(=O)N1CCN(c2cccc(C)c2C)CC1,GHOSHBBITCNYPP-UHFFFAOYSA-N
-rxn:4:200894:226844,CCOc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1S(=O)(=O)N1CCN(c2c(C)cccc2C)CC1,YEQWTEFZPBWWLO-UHFFFAOYSA-N
-rxn:4:200897:223179,CONC(=O)c1cc(-c2cc(OC)c(S(=O)(=O)N3CCN(c4ccc(C)c(C)c4)CC3)cc2OC)ccc1F,GMXBEWHNWDQANF-UHFFFAOYSA-N
-rxn:4:200899:223179,CONC(=O)c1cc(-c2cc(OC)c(S(=O)(=O)N3CCN(c4cc(C)cc(C)c4)CC3)cc2OC)ccc1F,UOTDCWNBLRVVOE-UHFFFAOYSA-N
-rxn:4:200901:223179,CONC(=O)c1cc(-c2ccc(C(=O)N3C(=S)C(c4cc(OC)cc(OC)c4)=NC34CCCCC4)cc2)ccc1F,XLCWLFOZRYLGDA-UHFFFAOYSA-N
-rxn:4:200903:226844,COc1ccccc1N1CCN(S(=O)(=O)c2cc(C)c(-c3ccnc(C(=O)C(F)(F)F)c3)cc2C(C)C)CC1,LQDDKXFPTATFQS-UHFFFAOYSA-N
-rxn:4:200904:223179,CONC(=O)c1cc(-c2ccc(C3=NC4(CCCCCC4)N(C(=O)c4ccc(OC)c(OC)c4)C3=S)cc2)ccc1F,JNKZJBWKPSTEMU-UHFFFAOYSA-N
-rxn:4:200944:223474,C[Si](C)(C)CCOCn1ccc2cc(-c3ccc(OCc4ccccc4)c(C45CC6CC(CC(C6)C4)C5)c3)cnc21,UETNYOUYGQMYPJ-UHFFFAOYSA-N
-rxn:4:200983:222584,COC(=O)C(C)Sc1nc2c(c(=O)n1-c1ccc(-c3ccc(OCCCN4CCNCC4)c(F)c3)cc1)SCC2,RHKTYYKLLOTXEH-UHFFFAOYSA-N
-rxn:4:200999:222538,CCOC(=O)c1cc2c(-c3cc(C4CCCC4)nc(C4CCNCC4)c3)ccnc2n1S(=O)(=O)c1ccc(C)cc1,SNWLEXBOZURCHY-UHFFFAOYSA-N
-rxn:4:201032:223179,CCN1C(=O)C(=C2SC(=S)N(CCCOC)C2=O)c2cc(-c3ccc(F)c(C(=O)NOC)c3)ccc21,IYHIUWOKFWSXCT-UHFFFAOYSA-N
-rxn:4:201057:223279,CCCCCN1C(=O)C(=C2C(=O)N(CC)c3ccc(-c4cnc(C5CCCN5)nc4)cc32)SC1=S,NRYKSFBLPOEWKZ-UHFFFAOYSA-N
-rxn:4:201058:223179,CCOC(=O)C1=C(C)N=C2SC(CC)C(=O)N2C1c1cccc(-c2ccc(F)c(C(=O)NOC)c2)c1,NHTYLTSKZUGGPS-UHFFFAOYSA-N
-rxn:4:201058:226844,CCOC(=O)C1=C(C)N=C2SC(CC)C(=O)N2C1c1cccc(-c2ccnc(C(=O)C(F)(F)F)c2)c1,DJNPZEZSCWQZLT-UHFFFAOYSA-N
-rxn:4:201060:224406,O=S(=O)(c1cc(-c2ccc(S(=O)(=O)N3CCN=C3SCc3cccc4ccccc34)cc2)ccc1F)N1CCOCC1,JQFMXYGZEGULDH-UHFFFAOYSA-N
-rxn:4:201069:223179,CONC(=O)c1cc(-c2cc([N+](=O)[O-])c(OC)c3c2CCN(C(=O)OC(C)(C)C)CC3)ccc1F,FXUAUJLWJPLQJP-UHFFFAOYSA-N
-rxn:4:201069:223279,COc1c([N+](=O)[O-])cc(-c2cnc(C3CCCN3)nc2)c2c1CCN(C(=O)OC(C)(C)C)CC2,DVPPLYVQFKGTMR-UHFFFAOYSA-N
-rxn:4:201071:226844,CCOC(=O)C1=C(C)N=C2SCCC(=O)N2C1c1cc(-c2ccnc(C(=O)C(F)(F)F)c2)ccc1OC,OTOONCBOQGHNAL-UHFFFAOYSA-N
-rxn:4:201072:223279,CCC1SC2=NC(C)=C(C(=O)OC)C(c3cc(-c4cnc(C5CCCN5)nc4)ccc3OC)N2C1=O,DNACBMLMRNPGAN-UHFFFAOYSA-N
-rxn:4:201081:223179,CCCCN1C(=O)C(=C2SC(=S)N(Cc3ccco3)C2=O)c2cc(-c3ccc(F)c(C(=O)NOC)c3)ccc21,RJNLEBFXHRZCPA-UHFFFAOYSA-N
-rxn:4:201089:226021,CC(C)(C)OC(=O)N1CCN(C(=O)c2cc3cc(-c4cc(Cl)ccc4OCC(F)(F)F)ccc3s2)CC1,FJIWSFUSBSOOBL-UHFFFAOYSA-N
-rxn:4:201090:222520,CC(C)(C)OC(=O)Nc1cc(-c2ccc(C(=O)Oc3c(CN4CCOCC4)cc(Cl)c4cccnc34)cc2)ccc1C(F)(F)F,HONZGMMYHUPXDO-UHFFFAOYSA-N
-rxn:4:201096:226844,CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N1CCc2c(-c3ccnc(C(=O)C(F)(F)F)c3)cccc21,OOCIEACPWFOYGV-FQEVSTJZSA-N
-rxn:4:201100:223279,CCC1SC2=NC(C)=C(C(=O)OC(C)C)C(c3cccc(-c4cnc(C5CCCN5)nc4)c3)N2C1=O,WJKYNGQCJLZQBQ-UHFFFAOYSA-N
-rxn:4:201100:226844,CCC1SC2=NC(C)=C(C(=O)OC(C)C)C(c3cccc(-c4ccnc(C(=O)C(F)(F)F)c4)c3)N2C1=O,RILYKTPKNCSZDA-UHFFFAOYSA-N
-rxn:4:201102:226844,CC1=C(C(=O)OCC(C)C)C(c2ccccc2-c2ccnc(C(=O)C(F)(F)F)c2)N2C(=O)CCSC2=N1,YBZVNHYVMIXYAC-UHFFFAOYSA-N
-rxn:4:201118:223179,CCCCN1C(=O)C(=C2SC(=S)N(Cc3ccccc3)C2=O)c2cc(-c3ccc(F)c(C(=O)NOC)c3)ccc21,OAPZHUVYHOSAHF-UHFFFAOYSA-N
-rxn:4:201121:223179,CONC(=O)c1cc(-c2ccccc2C2C(C(=O)OCc3ccccc3)=C(C)N=C3SCCC(=O)N32)ccc1F,JFDZVDPIOXKEGL-UHFFFAOYSA-N
-rxn:4:201121:226844,CC1=C(C(=O)OCc2ccccc2)C(c2ccccc2-c2ccnc(C(=O)C(F)(F)F)c2)N2C(=O)CCSC2=N1,UIRITDHPXMGIBS-UHFFFAOYSA-N
-rxn:4:201126:223179,CONC(=O)c1cc(-c2ccccc2CCC(=O)N2C3CCC2CC(N2C(=O)CCC2=O)C3)ccc1F,DKYBNDLKLHHUFI-UHFFFAOYSA-N
-rxn:4:201126:223279,O=C1CCC(=O)N1C1CC2CCC(C1)N2C(=O)CCc1ccccc1-c1cnc(C2CCCN2)nc1,FBARQAGJIVXVNH-UHFFFAOYSA-N
-rxn:4:201133:223179,CONC(=O)c1cc(-c2ccc3c(c2)CN(CC2CCN(C(=O)OC(C)(C)C)CC2)C3=O)ccc1F,FGYFYHGAIKRLNE-UHFFFAOYSA-N
-rxn:4:201144:223179,CONC(=O)c1cc(-c2ccc3c(c2)N(CC2CCN(C(=O)OC(C)(C)C)CC2)C(=O)CO3)ccc1F,HBBDDUAULBEHLP-UHFFFAOYSA-N
-rxn:4:201144:226844,CC(C)(C)OC(=O)N1CCC(CN2C(=O)COc3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc32)CC1,ICUSXDLRKDXXKK-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:4:201150:225568,COC(=O)C(C)(C)c1ccc(-c2ccc3c(c2)CCN(CC2CCN(C(=O)OC(C)(C)C)CC2)C3)cc1,JKMXPSSSIHZOAI-UHFFFAOYSA-N
-rxn:4:201151:226844,CC(C)(C)OC(=O)N1CCCC(CN2CCc3cc(-c4ccnc(C(=O)C(F)(F)F)c4)ccc3C2)C1,BGTSSOAHYCQYRI-UHFFFAOYSA-N
-rxn:4:201180:224063,Cc1ccc(C(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccc(-c3cc(C5CC5)cc(N5CCCC(C)C5)c3)cc2)CCCC4)cc1,QHNUXJQQOQCTRY-UHFFFAOYSA-N
-rxn:4:201184:226844,O=C1c2oc3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3c(=O)c2C(c2ccccc2)N1CCCN1CCOCC1,DLLLXKCIJLJTFS-UHFFFAOYSA-N
-rxn:4:201188:223179,CONC(=O)c1cc(-c2cccc(C3c4c(oc5cc(OC)ccc5c4=O)C(=O)N3CCN3CCOCC3)c2)ccc1F,NIHRTCUJEVZGTQ-UHFFFAOYSA-N
-rxn:4:201190:226844,Cc1ccc2oc3c(c(=O)c2c1)C(c1cccc(-c2ccnc(C(=O)C(F)(F)F)c2)c1)N(CCCN1CCOCC1)C3=O,YLBGWHWZTFEAOO-UHFFFAOYSA-N
-rxn:4:201379:226708,CC(=O)n1nc(C)c(-c2cc(C3OCCO3)ccc2Cl)c1C(F)(F)C(F)(F)C(F)(F)F,HJLVOSLXOZHTLP-UHFFFAOYSA-N
-rxn:4:201621:224179,CCSC1=NCCN1S(=O)(=O)c1ccc(-c2ccc(OCCN3CCN(C)CC3)cc2)cc1,YZPKGMMCKSMNEB-UHFFFAOYSA-N
-rxn:4:201640:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1ccccc1S(=O)(=O)N1CC(Oc2nccs2)C1,UHXVWKOTAAIPHK-UHFFFAOYSA-N
-rxn:4:201674:224766,N#CCC(=O)C1CCCN(c2ccc(F)cc2-c2cc(N3CCCC3)cc(C(F)(F)F)c2)C1=O,GUUUFAPAUNDAEF-UHFFFAOYSA-N
-rxn:4:201683:223904,CC(C)c1nc(-c2cccc(C3CN(C(=O)OC(C)(C)C)C3)c2)cn1C(=O)OC(C)(C)C,OSWHGWBOHOZLNJ-UHFFFAOYSA-N
-rxn:4:201683:224082,CCC(C(=O)OC(C)(C)C)c1cccc(-c2cn(C(=O)OC(C)(C)C)c(C(C)C)n2)c1,IHRIRGCNINRJJL-UHFFFAOYSA-N
-rxn:4:201777:222936,CCC(=O)NS(=O)(=O)c1ccc(-c2csc(C3CCN(C(=O)OC(C)(C)C)C3)n2)cc1,ORUFLFJXBLBEBT-UHFFFAOYSA-N
-rxn:4:201801:222945,CC(C)NS(=O)(=O)c1ccc(-c2ccccc2N2CCCC(C(=O)C(C)C#N)C2=O)cc1F,BNGOZSBKIASGPX-UHFFFAOYSA-N
-rxn:4:201814:225725,CCOC(=O)c1ccc(C#N)c(-c2ccc(N3CCC(F)(F)CC3)nc2C(=O)OCC)c1,WIBHFBHXBONYRF-UHFFFAOYSA-N
-rxn:4:201817:223179,CONC(=O)c1cc(-c2ccc(N3CCC(C(F)(F)F)CC3)nc2C(=O)OC)ccc1F,LOEGXSGCVWCAAY-UHFFFAOYSA-N
-rxn:4:201817:226844,COC(=O)c1nc(N2CCC(C(F)(F)F)CC2)ccc1-c1ccnc(C(=O)C(F)(F)F)c1,RIISVOMNGDVURR-UHFFFAOYSA-N
-rxn:4:201845:223813,CN1CCN(Cc2ccc(OC(F)(F)F)c(-c3ccc(CN4CCC5(CC4)OCCO5)c(F)c3)c2)CC1,LFQNDSIAAMPZHT-UHFFFAOYSA-N
-rxn:4:201859:223179,CONC(=O)c1cc(-c2cnccc2OC2CCN(C(=O)C3CC(F)(F)C3)C2)ccc1F,OAZOAHYTYKYDRV-UHFFFAOYSA-N
-rxn:4:201861:226844,COc1cc(N2CCCC(C(F)(F)F)C2)c(-c2ccnc(C(=O)C(F)(F)F)c2)cc1[N+](=O)[O-],BRZQLWNMSSGASG-UHFFFAOYSA-N
-rxn:4:201899:225529,CCN(CC)Cc1ccc(-c2cc(C(=O)OC)cc(C(=O)N3CCN(C)CC3)c2)cc1F,WKCNONLMUKSSEV-UHFFFAOYSA-N
-rxn:4:201906:223179,CONC(=O)c1cc(-c2ccc(OC)cc2C(=O)N2CC(N3C(=O)CCC3=O)C2)ccc1F,VCADKVGWVOYFFK-UHFFFAOYSA-N
-rxn:4:201907:223279,O=C(Cc1ccc(-c2cnc(C3CCCN3)nc2)cc1)N1CCC(N2C(=O)COC2=O)C1,HYNYXSDAZDIGGE-UHFFFAOYSA-N
-rxn:4:201925:224970,CC(C)(C)OC(=O)N1CCCC1c1cccc(-c2ccc(S[Si](C)(C)C(C)(C)C)cc2)n1,SWPOPGBVNHFBEW-UHFFFAOYSA-N
-rxn:4:201938:224321,CCCN1CCN(S(=O)(=O)c2ccc(-c3cccc(S(=O)(=O)N4CCC(C)CC4)c3)cc2)CC1,OEBSGBIPOSEHBC-UHFFFAOYSA-N
-rxn:4:201939:224288,Cc1cc(-c2ccc(N(C)C(=O)OC(C)(C)C)cc2Cl)ccc1OCC(=O)N1CCN(C)CC1,LDASUHBTXHWMQO-UHFFFAOYSA-N
-rxn:4:201956:223776,CCN1CCN(C(=O)c2cc(OC)cc(-c3ccc4c(c3)CN(C(=O)OC(C)(C)C)CCO4)c2)CC1,JEVZIZIJZWUIRO-UHFFFAOYSA-N
-rxn:4:201967:226844,COc1cc(S(=O)(=O)N2CCN(C(C)=O)CC2)ccc1-c1ccnc(C(=O)C(F)(F)F)c1,ICISWOAPAPMLRL-UHFFFAOYSA-N
-rxn:4:201968:223179,CONC(=O)c1cc(-c2ccc(N3CCC(F)(F)C3)nc2C(=O)OC(C)(C)C)ccc1F,AQEHOGOGNDSTLJ-UHFFFAOYSA-N
-rxn:4:201968:223568,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(Cl)c(-c3ccc(N4CCC(F)(F)C4)nc3C(=O)OC(C)(C)C)cnc21,SHNUHTYLOZRDFV-UHFFFAOYSA-N
-rxn:4:201969:223179,CONC(=O)c1cc(-c2ccc(OC)cc2C(=O)N2CCC(N3C(=O)CSC3=O)C2)ccc1F,VKEVGWWHGDZZKF-UHFFFAOYSA-N
-rxn:4:202006:223008,CCOc1cc(-c2cc(C3CCNCC3)ccc2F)ccc1S(=O)(=O)N1CCN(C)CC1,QLOQLTJEPHXKQR-UHFFFAOYSA-N
-rxn:4:202011:225979,CC(C)(C)OC(=O)N1CCOC(c2ccc(-c3cnc(N4CCOCC4)c(Cl)c3)cn2)C1,GCTHNLPJRHCGTB-UHFFFAOYSA-N
-rxn:4:202017:223903,COc1cc(-c2ccccc2CCC(=O)N2CCC(=O)CC2)cc(OC)c1C(=O)N1CCN(C)CC1,FSCAQGQFZDHJQZ-UHFFFAOYSA-N
-rxn:4:202018:222803,CC(C)(C)OC(=O)c1nc(N2CCOCC2)ccc1-c1ccc(C2CCNC2)c(C(F)(F)F)c1,NHMXIHHUZIABLT-UHFFFAOYSA-N
-rxn:4:202068:226336,COc1cc(S(=O)(=O)N2CCN(C)CC2)c(OC)cc1-c1cc(C#N)c(C2CC2)cc1Cl,KVFQYDZRFVHFBS-UHFFFAOYSA-N
-rxn:4:202069:222636,C[C@@H](NC(=O)OC(C)(C)C)c1ccc(-c2cncc(C(=O)N3CCC(S(=O)(=O)C(C)(C)C)C3)c2)cc1,NNZNADBHGWKDKH-FKSKYRLFSA-N
-rxn:4:202089:222396,O=C(NC1CCC(O)CC1)c1ccc(-c2cccnc2OC2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)cc1,BECFOKVSVDDCGH-UHFFFAOYSA-N
-rxn:4:202098:224486,CC(C)N(C(=O)c1cccc(-c2ccc(C3CCN(C(=O)OC(C)(C)C)CC3)cn2)c1)C(C)C,YHMRILLSKNXFFE-UHFFFAOYSA-N
-rxn:4:202098:225758,CC(C)(C)OC(=O)c1cnccc1-c1ccc(C2CCN(C(=O)OC(C)(C)C)CC2)cn1,FOLHVWFIKSQYKP-UHFFFAOYSA-N
-rxn:4:202101:223179,CONC(=O)c1cc(-c2csc(C3CCN(C(=O)OC(C)(C)C)CC3C)n2)ccc1F,SOXSGFLVLYDHEG-UHFFFAOYSA-N
-rxn:4:202101:226844,CC1CN(C(=O)OC(C)(C)C)CCC1c1nc(-c2ccnc(C(=O)C(F)(F)F)c2)cs1,MBCDZVLXBUGNIP-UHFFFAOYSA-N
-rxn:4:202104:222987,Cc1nc(C2CCNCC2)ccc1-c1ccnc(C2CCN(C(=O)OC(C)(C)C)CC2)c1,OUIPCPLWJSBFOW-UHFFFAOYSA-N
-rxn:4:202105:224797,CCCCOc1c(F)c(F)c(-c2ccc(C3CCCN(C(=O)OC(C)(C)C)C3)cn2)c(F)c1F,UKITVUKIXLEURR-UHFFFAOYSA-N
-rxn:4:202128:225898,CC(C)(C)OC(=O)C1CCN(c2cncc(-c3cnn(CCN4CCOCC4)c3)c2Cl)CC1,KLEJPANVNXSMFU-UHFFFAOYSA-N
-rxn:4:202129:223179,CONC(=O)c1cc(-c2ccc(C3CCN(C(=O)OC(C)(C)C)CC3)nc2F)ccc1F,BGQZOFQJRPVSNW-UHFFFAOYSA-N
-rxn:4:202129:223507,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3ccccc3S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c(F)n2)CC1,RAVGYGVCYQRFPI-UHFFFAOYSA-N
-rxn:4:202132:223179,CONC(=O)c1cc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c(Cl)c2)ccc1F,DMBWMPMLQIFACY-UHFFFAOYSA-N
-rxn:4:202133:224157,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)ccc2-c2cn(C(=O)OC(C)(C)C)c3ccccc23)CC1,HXJVTANAWINNNN-UHFFFAOYSA-N
-rxn:4:202134:223179,CONC(=O)c1cc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2Cl)ccc1F,RIWJSHUSTMSILI-UHFFFAOYSA-N
-rxn:4:202135:223179,CONC(=O)c1cc(-c2cc(C(=O)N3CCN(C(C)C)CC3)cc(Cl)c2OC)ccc1F,COMPUZXXWRDZGG-UHFFFAOYSA-N
-rxn:4:202139:226844,CN(C)C1CCN(Cc2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)c(C(F)(F)F)c2)CC1,TVMNCZMAZLNNFI-UHFFFAOYSA-N
-rxn:4:202140:223179,CONC(=O)c1cc(-c2cc(F)cc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)ccc1F,DVTAXZAGJKSFET-UHFFFAOYSA-N
-rxn:4:202143:223279,COc1cc(C)c(-c2cnc(C3CCCN3)nc2)cc1S(=O)(=O)N1CCN(C(C)=O)CC1,SFAAVXGIVXYHMZ-UHFFFAOYSA-N
-rxn:4:202158:222732,Cc1cc(OC2CCN(C(=O)c3cncc(-c4ccc(C(=O)NC5CCCCC5)cc4)c3)CC2)cc(=O)o1,VSKSNFDGDJOLCC-UHFFFAOYSA-N
-rxn:4:202163:226844,Cc1cc(C2=CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1ccnc(C(=O)C(F)(F)F)c1,FEUKRDDMAAUNTM-UHFFFAOYSA-N
-rxn:4:202164:226844,CCN1CCN(S(=O)(=O)c2cc(-c3ccnc(C(=O)C(F)(F)F)c3)c(C)cc2OC)CC1,JTEGKKFCVNUCIC-UHFFFAOYSA-N
-rxn:4:202170:223179,CONC(=O)c1cc(-c2ccccc2CN2CCOC(C(=O)N3CCCC3)C2)ccc1F,ZTUMQOLFRNCVKO-UHFFFAOYSA-N
-rxn:4:202196:226844,O=C(c1cc(-c2cnccc2OC2CCN(CC3CCS(=O)(=O)CC3)C2)ccn1)C(F)(F)F,TVMPTTBKYJXYFF-UHFFFAOYSA-N
-rxn:4:202197:224349,O=C(C1CN(Cc2ccc(-c3ccc(N4CCCCC4)c(C(F)(F)F)c3)cc2)CCO1)N1CCSCC1,FZSBKSWALWRMIS-UHFFFAOYSA-N
-rxn:4:202199:223179,CONC(=O)c1cc(-c2ccccc2CN2CCOC(C(=O)N3CCSCC3)C2)ccc1F,DNZRHQQTKDTNLB-UHFFFAOYSA-N
-rxn:4:202202:223179,CONC(=O)c1cc(-c2ccccc2CN2CCOC(C(=O)N3CCOCC3)C2)ccc1F,OTMYGOYLKWTVMX-UHFFFAOYSA-N
-rxn:4:202202:226844,O=C(C1CN(Cc2ccccc2-c2ccnc(C(=O)C(F)(F)F)c2)CCO1)N1CCOCC1,AWOXTQMOPUWMQA-UHFFFAOYSA-N
-rxn:4:202222:223179,CONC(=O)c1cc(-c2cc(C3CCN(C(=O)OC(C)(C)C)CC3C)ccn2)ccc1F,RVBWSBMLABJSDE-UHFFFAOYSA-N
-rxn:4:202223:223179,CONC(=O)c1cc(-c2ccnc(C3CCN(C(=O)OC(C)(C)C)CC3C)c2)ccc1F,ONSPDOPQUYXGPI-UHFFFAOYSA-N
-rxn:4:202224:223179,CONC(=O)c1cc(-c2ccc(C3CCN(C(=O)OC(C)(C)C)CC3C)cn2)ccc1F,LJOISBZETSZQCU-UHFFFAOYSA-N
-rxn:4:202224:226844,CC1CN(C(=O)OC(C)(C)C)CCC1c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)nc1,DPQLEMMVNHXEHA-UHFFFAOYSA-N
-rxn:4:202225:223179,CONC(=O)c1cc(-c2cccc(C3CCN(C(=O)OC(C)(C)C)CC3C)n2)ccc1F,VFWYJAVQKQISEI-UHFFFAOYSA-N
-rxn:4:202226:223179,CONC(=O)c1cc(-c2cc(C3CCCN(C(=O)OC(C)(C)C)C3)cc(C)n2)ccc1F,JVQAAPRRSFIASY-UHFFFAOYSA-N
-rxn:4:202227:223179,CONC(=O)c1cc(-c2cc(C)nc(C3CCCN(C(=O)OC(C)(C)C)C3)c2)ccc1F,YHFMRLAHJPCWSI-UHFFFAOYSA-N
-rxn:4:202228:223179,CONC(=O)c1cc(-c2cc(C(C)C)cc(C(=O)N3CCN(C)CC3)c2OC)ccc1F,XCNPXVBKSOOEKL-UHFFFAOYSA-N
-rxn:4:202228:226844,COc1c(C(=O)N2CCN(C)CC2)cc(C(C)C)cc1-c1ccnc(C(=O)C(F)(F)F)c1,OGRZHZSPAKUDLZ-UHFFFAOYSA-N
-rxn:4:202234:223179,CONC(=O)c1cc(-c2cccc(N3CCN(C(=O)OC(C)(C)C)CC3)c2C)ccc1F,OPRUBQULBNODDG-UHFFFAOYSA-N
-rxn:4:202236:223179,CONC(=O)c1cc(-c2cncc(C3CCN(C(=O)OC(C)(C)C)CC3C)c2)ccc1F,NBLDIVAHNLCTPY-UHFFFAOYSA-N
-rxn:4:202237:226844,CC1CN(C(=O)OC(C)(C)C)CCC1c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cn1,JLUIHRNJKMJGHA-UHFFFAOYSA-N
-rxn:4:202267:226844,O=C(C1CN(Cc2cccc(-c3ccnc(C(=O)C(F)(F)F)c3)c2)CCO1)N1CCCCC1,CSLJYCSRLRYBMV-UHFFFAOYSA-N
-rxn:4:202269:223279,O=C(C1CCCN(Cc2ccccc2-c2cnc(C3CCCN3)nc2)C1)N1CCSCC1,UBQXXDUGNCOSIH-UHFFFAOYSA-N
-rxn:4:202271:223179,CONC(=O)c1cc(-c2ccccc2CN2CCCC(C(=O)N3CCOCC3)C2)ccc1F,FKKVONSOGHQKGT-UHFFFAOYSA-N
-rxn:4:202271:226844,O=C(C1CCCN(Cc2ccccc2-c2ccnc(C(=O)C(F)(F)F)c2)C1)N1CCOCC1,CFERRTYCBPVXRM-UHFFFAOYSA-N
-rxn:4:202279:223785,CCN1CCN(CCOc2ccc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccccc5)CC4)cc3C)cc2Cl)CC1,FHAOZHDCWIVYSM-UHFFFAOYSA-N
-rxn:4:202284:225869,COc1ccc(-c2ccc(N3CCOCC3)c(Cl)c2)cc1CN1CCC(N2CCCC2)CC1,VLFUSDPSUWVMAK-UHFFFAOYSA-N
-rxn:4:202285:223179,CONC(=O)c1cc(-c2ccc(CN3CCC(OC)CC3)c(N3CCCC3)c2)ccc1F,YXTMHJAHGJKARO-UHFFFAOYSA-N
-rxn:4:202286:223179,CONC(=O)c1cc(-c2cc(C(C)C)c(S(=O)(=O)N3CCN(C(C)=O)CC3)cc2C)ccc1F,YOPBCOCCJJOMKS-UHFFFAOYSA-N
-rxn:4:202287:226844,O=C(c1ccccc1-c1ccnc(C(=O)C(F)(F)F)c1)N1CCCSCC1CN1CCOCC1,VNSFHXPUOGEVIA-UHFFFAOYSA-N
-rxn:4:202288:223179,CONC(=O)c1cc(-c2cccc(C(=O)N3CCCSCC3CN3CCOCC3)c2)ccc1F,LMJYFNJPWWOKLL-UHFFFAOYSA-N
-rxn:4:202288:223279,O=C(c1cccc(-c2cnc(C3CCCN3)nc2)c1)N1CCCSCC1CN1CCOCC1,LYJBCNNLUXASQQ-UHFFFAOYSA-N
-rxn:4:202290:227837,COC1CCN(C2CCN(S(=O)(=O)c3ccc(-c4cc(C)cc(C5CC5)c4)cc3)CC2)C1,GPMHEIDFPNGSGC-UHFFFAOYSA-N
-rxn:4:202291:223279,FC(F)(F)C1CCCN(Cc2ccc(-c3cnc(C4CCCN4)nc3)cc2N2CCOCC2)C1,CJKAVQHYXGOYGL-UHFFFAOYSA-N
-rxn:4:202310:223179,CONC(=O)c1cc(-c2ccc(S(=O)(=O)N3CCCSCC3CN3CCOCC3)cc2)ccc1F,OYRUEFWPLXIEFW-UHFFFAOYSA-N
-rxn:4:202312:223179,CONC(=O)c1cc(-c2cccc(CN3CCC(C(=O)N4CCC(F)(F)CC4)CC3)c2)ccc1F,PGJGSQFQACSCBO-UHFFFAOYSA-N
-rxn:4:202312:226844,O=C(C1CCN(Cc2cccc(-c3ccnc(C(=O)C(F)(F)F)c3)c2)CC1)N1CCC(F)(F)CC1,NNIQZDPCWDGHEU-UHFFFAOYSA-N
-rxn:4:202313:223279,O=C(C1CCN(Cc2ccccc2-c2cnc(C3CCCN3)nc2)CC1)N1CCC(F)(F)CC1,NUWLVYUVSHBKQB-UHFFFAOYSA-N
-rxn:4:202318:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3ccc(-c4nc(S(=O)(=O)c5ccc(C)cc5)c(N5CCOCC5)o4)cc3)c2)CC1,JTRFIZTUNNFGLT-UHFFFAOYSA-N
-rxn:4:202320:223179,CONC(=O)c1cc(-c2cc(F)cc(N3CCN(O[Si](C)(C)C(C)(C)C)CC3)c2)ccc1F,CPJPDTDALOPKIB-UHFFFAOYSA-N
-rxn:4:202321:223179,CONC(=O)c1cc(-c2ccc(CN3CCCC(C(F)(F)F)C3)c(N3CCCCC3)c2)ccc1F,UEZDFKAGOBSEJO-UHFFFAOYSA-N
-rxn:4:202321:223279,FC(F)(F)C1CCCN(Cc2ccc(-c3cnc(C4CCCN4)nc3)cc2N2CCCCC2)C1,YSAKQBLONLATEQ-UHFFFAOYSA-N
-rxn:4:202322:226844,O=C(c1cc(-c2ccc(CN3CCC(C(F)(F)F)CC3)c(N3CCCCC3)c2)ccn1)C(F)(F)F,BAWOUZRJFVYLPU-UHFFFAOYSA-N
-rxn:4:202327:223279,CN(Cc1ccc(-c2cnc(C3CCCN3)nc2)cc1N1CCOCC1)C1CCCCC1,VLDHKACOJUYALF-UHFFFAOYSA-N
-rxn:4:202328:227834,COC1CCN(C2CCN(S(=O)(=O)c3ccccc3-c3ccc(C4CC4)c(C)c3)CC2)CC1,NZNSNYRQEMHJNQ-UHFFFAOYSA-N
-rxn:4:202328:228513,COC1CCN(C2CCN(S(=O)(=O)c3ccccc3-c3ccccc3C3CC3)CC2)CC1,DNRCQVHTYNCHRA-UHFFFAOYSA-N
-rxn:4:202328:228517,CC#Cc1ccccc1-c1ccccc1S(=O)(=O)N1CCC(N2CCC(OC)CC2)CC1,XMFDXRKTLRYGIS-UHFFFAOYSA-N
-rxn:4:202328:228647,COC1CCN(C2CCN(S(=O)(=O)c3ccccc3-c3cc(Cl)c(C)cc3C)CC2)CC1,QBHRZDOZMZHNAN-UHFFFAOYSA-N
-rxn:4:202335:223179,CONC(=O)c1cc(-c2ccc(C3=NC4(CCCCC4)N(C(=O)c4ccc(OC)cc4)C3=S)cc2)ccc1F,GJXONYSXIJNXNQ-UHFFFAOYSA-N
-rxn:4:202338:223179,CONC(=O)c1cc(-c2ccc(C(=O)N3CCC4(CC3)OCCN4S(=O)(=O)c3ccccc3)cc2)ccc1F,IKZNNLMVKMLZBW-UHFFFAOYSA-N
-rxn:4:202340:223179,CONC(=O)c1cc(-c2ccc(C(=O)N3CCC4(CC3)OCCN4S(=O)(=O)c3ccc(F)c(C)c3)o2)ccc1F,VWFHBBBZVNAATH-UHFFFAOYSA-N
-rxn:4:202342:223179,CONC(=O)c1cc(-c2cccc(C(=O)N3CCN(S(=O)(=O)c4c(C)cc(C)cc4C)CC3)c2)ccc1F,XXTUCRKTUCAHHU-UHFFFAOYSA-N
-rxn:4:202347:223656,Cc1ccc(S(=O)(=O)N2CCOC23CCN(C(=O)c2cccc(-c4ccnc5c4cc(C)n5S(=O)(=O)c4ccccc4)c2)CC3)cc1,IKYUHVZSFWDQFN-UHFFFAOYSA-N
-rxn:4:202347:224052,CCCc1ccc(-c2ccc(-c3cccc(C(=O)N4CCC5(CC4)OCCN5S(=O)(=O)c4ccc(C)cc4)c3)c(F)c2)cc1,AZUWSSXVXGDMSI-UHFFFAOYSA-N
-rxn:4:202348:223179,CONC(=O)c1cc(-c2ccccc2C(=O)N2CCC3(CC2)OCCN3S(=O)(=O)c2ccc(C)cc2)ccc1F,NBMLYZJJMDNORV-UHFFFAOYSA-N
-rxn:4:202348:226844,Cc1ccc(S(=O)(=O)N2CCOC23CCN(C(=O)c2ccccc2-c2ccnc(C(=O)C(F)(F)F)c2)CC3)cc1,WTNPPFFGUAIZSD-UHFFFAOYSA-N
-rxn:4:202352:223179,CONC(=O)c1cc(-c2ccccc2C(=O)N2CCC3(CC2)OCCN3S(=O)(=O)c2ccc(F)c(C)c2)ccc1F,XTEREMOVZBUQTE-UHFFFAOYSA-N
-rxn:4:202356:223179,CONC(=O)c1cc(-c2cc(C(C)C)c(S(=O)(=O)N3CCN(c4c(C)cccc4C)CC3)cc2C)ccc1F,AFNKCRHARCPDMI-UHFFFAOYSA-N
-rxn:4:202527:223179,COCC(=O)N=C1SC2CS(=O)(=O)CC2N1c1cccc(-c2ccc(F)c(C(=O)NOC)c2)c1,XMZXJLPNXDEBQF-UHFFFAOYSA-N
-rxn:4:202534:223179,COCC(=O)N=C1SC2CS(=O)(=O)CC2N1c1ccc(-c2ccc(F)c(C(=O)NOC)c2)cc1F,FFYMJHGSSXBPPU-UHFFFAOYSA-N
-rxn:4:202559:222932,COCCNS(=O)(=O)c1ccc(-c2cc(C#N)c3c(c2)C(C)(C)CN3C(=O)OC(C)(C)C)cc1,DULHYDJMSXRTML-UHFFFAOYSA-N
-rxn:4:202559:223187,CONS(=O)(=O)c1cccc(-c2cc(C#N)c3c(c2)C(C)(C)CN3C(=O)OC(C)(C)C)c1,AJRDOJGTXZEJJB-UHFFFAOYSA-N
-rxn:4:202559:226898,Cc1nn(S(=O)(=O)N(C)C)cc1-c1cc(C#N)c2c(c1)C(C)(C)CN2C(=O)OC(C)(C)C,QHVIUFIIFIIVDW-UHFFFAOYSA-N
-rxn:4:202569:223179,CCCC(=O)N=C1SC2CS(=O)(=O)CC2N1c1ccc(-c2ccc(F)c(C(=O)NOC)c2)cc1F,PINLVYKDALZLMQ-UHFFFAOYSA-N
-rxn:4:202569:226844,CCCC(=O)N=C1SC2CS(=O)(=O)CC2N1c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1F,AWPSHGVOOVCTOD-UHFFFAOYSA-N
-rxn:4:202596:226844,CCCN1C(=O)C(=C2C(=O)N(CCC)c3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc32)SC1=S,LEDCWROBUBMKOP-UHFFFAOYSA-N
-rxn:4:202598:223179,CCCCN1C(=O)C(=C2SC(=S)N(CC)C2=O)c2cc(-c3ccc(F)c(C(=O)NOC)c3)ccc21,KNHHBPKWACMLCR-UHFFFAOYSA-N
-rxn:4:202599:223179,CCC1SC2=NC(C)=C(C(=O)OC)C(c3cccc(-c4ccc(F)c(C(=O)NOC)c4)c3)N2C1=O,QGBLOYAXGLJNGA-UHFFFAOYSA-N
-rxn:4:202599:223279,CCC1SC2=NC(C)=C(C(=O)OC)C(c3cccc(-c4cnc(C5CCCN5)nc4)c3)N2C1=O,QBIKQRJKFPAFFU-UHFFFAOYSA-N
-rxn:4:202600:223179,CCOC(=O)C1=C(C)N=C2SC(C)C(=O)N2C1c1cccc(-c2ccc(F)c(C(=O)NOC)c2)c1,WVCSCSCXNODQFZ-UHFFFAOYSA-N
-rxn:4:202600:223279,CCOC(=O)C1=C(C)N=C2SC(C)C(=O)N2C1c1cccc(-c2cnc(C3CCCN3)nc2)c1,OKOBKLGYBZCWGU-UHFFFAOYSA-N
-rxn:4:202601:223179,CCOC(=O)C1=C(C)N=C2SCCC(=O)N2C1c1cccc(-c2ccc(F)c(C(=O)NOC)c2)c1,LPDKZWHSZOKCNV-UHFFFAOYSA-N
-rxn:4:202601:223279,CCOC(=O)C1=C(C)N=C2SCCC(=O)N2C1c1cccc(-c2cnc(C3CCCN3)nc2)c1,MWRJAJXVQCNPFG-UHFFFAOYSA-N
-rxn:4:202601:226844,CCOC(=O)C1=C(C)N=C2SCCC(=O)N2C1c1cccc(-c2ccnc(C(=O)C(F)(F)F)c2)c1,ZRWCIFOMRMDRHE-UHFFFAOYSA-N
-rxn:4:202602:223179,CCC1SC2=NC(C)=C(C(=O)OC)C(c3ccc(-c4ccc(F)c(C(=O)NOC)c4)cc3)N2C1=O,BRQSEFYLPBPGAO-UHFFFAOYSA-N
-rxn:4:202603:223179,CCC1SC2=NC(C)=C(C(=O)OC)C(c3ccccc3-c3ccc(F)c(C(=O)NOC)c3)N2C1=O,DLNCYMQUZWNENB-UHFFFAOYSA-N
-rxn:4:202603:226844,CCC1SC2=NC(C)=C(C(=O)OC)C(c3ccccc3-c3ccnc(C(=O)C(F)(F)F)c3)N2C1=O,YYEUMQAXAYDKEB-UHFFFAOYSA-N
-rxn:4:202604:223179,CCOC(=O)C1=C(C)N=C2SCCC(=O)N2C1c1ccc(-c2ccc(F)c(C(=O)NOC)c2)cc1,BCJSCDLRDGMPFF-UHFFFAOYSA-N
-rxn:4:202606:226844,CCOC(=O)C1=C(C)N=C2SCCC(=O)N2C1c1ccccc1-c1ccnc(C(=O)C(F)(F)F)c1,JJJKTMICARJFRL-UHFFFAOYSA-N
-rxn:4:202657:222539,CCOC(=O)c1cnc2c(-c3ccc4c(c3)CC(NC(=O)OC(C)(C)C)C4)cccc2c1N1CCC(C)CC1,SCQCGCMWVQVYRM-UHFFFAOYSA-N
-rxn:4:202660:223279,CCCN1C(=O)C(=C2SC(=S)N(CC(C)C)C2=O)c2cc(-c3cnc(C4CCCN4)nc3)ccc21,OJLLNAKVZPDEIO-UHFFFAOYSA-N
-rxn:4:202661:223179,CCCN1C(=O)C(=C2SC(=S)N(C(C)CC)C2=O)c2cc(-c3ccc(F)c(C(=O)NOC)c3)ccc21,BHAWWPAQDWCWFQ-UHFFFAOYSA-N
-rxn:4:202662:223179,CONC(=O)c1cc(-c2cccc(C3C(C(=O)OC(C)C)=C(C)N=C4SC(C)C(=O)N43)c2)ccc1F,ZRZGGMIWLVPNGP-UHFFFAOYSA-N
-rxn:4:202675:222543,CC(C)[Si](C(C)C)(C(C)C)n1cc(-c2ccc(C3(NC(=O)OC(C)(C)C)CC3)cc2)c2cccnc21,MZGREQVNWSGKNE-UHFFFAOYSA-N
-rxn:4:202678:224022,CC(C)[Si](C(C)C)(C(C)C)n1ccc2cnc(-c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)cc21,CNZBUNIBYGDDAS-UHFFFAOYSA-N
-rxn:4:202679:222829,CNS(=O)(=O)c1ccc(-c2cc3ccn([Si](C(C)C)(C(C)C)C(C)C)c3c(Cl)n2)c(C(F)(F)F)c1,MBHPVDFARMDJLC-UHFFFAOYSA-N
-rxn:4:202679:224486,CC(C)N(C(=O)c1cccc(-c2cc3ccn([Si](C(C)C)(C(C)C)C(C)C)c3c(Cl)n2)c1)C(C)C,ZEGSJBSTGBQMOZ-UHFFFAOYSA-N
-rxn:4:202680:223582,COC(=O)c1ccc2cc(-c3cnc4c(ccn4[Si](C(C)C)(C(C)C)C(C)C)c3Cl)n(C(=O)OC(C)(C)C)c2c1,OKFPFVWZQQAWEY-UHFFFAOYSA-N
-rxn:4:202686:223279,CCOC(=O)N1CCC(N2Cc3cc(-c4cnc(C5CCCN5)nc4)ccc3OCC2=O)CC1,RKRIAZQVGKMFFA-UHFFFAOYSA-N
-rxn:4:202686:226832,CCOC(=O)N1CCC(N2Cc3cc(-c4cccnc4OCC(F)(F)F)ccc3OCC2=O)CC1,POVCQJRAVGLJII-UHFFFAOYSA-N
-rxn:4:202689:225273,CCCOc1cc(C(F)(F)F)ccc1-c1ccc2c(c1)CN(C1CCC(=O)N(C(=O)OC(C)(C)C)C1=O)C2=O,AOXUKSZHQVCLCQ-UHFFFAOYSA-N
-rxn:4:202692:223179,CONC(=O)c1cc(-c2ccc(OC)cc2C(=O)N2CC(N3C(=O)C4CC=CCC4C3=O)C2)ccc1F,VTTOICGJIOYARO-UHFFFAOYSA-N
-rxn:4:202692:223279,COc1ccc(-c2cnc(C3CCCN3)nc2)c(C(=O)N2CC(N3C(=O)C4CC=CCC4C3=O)C2)c1,YZIKCMWFWOZKAE-UHFFFAOYSA-N
-rxn:4:202695:222611,CCCN1C(=O)C(=C2SC(=S)N(Cc3ccccc3)C2=O)c2cc(-c3cc(S(=O)(=O)N4CCNCC4)ccc3OC)ccc21,UEIGURMDQBAZGU-UHFFFAOYSA-N
-rxn:4:202696:223279,COc1cccc(N2C(=NC(=O)c3ccc(-c4cnc(C5CCCN5)nc4)cc3)SC3CS(=O)(=O)CC32)c1,HHUKUXPLKUEYMQ-UHFFFAOYSA-N
-rxn:4:202697:223279,COc1ccc(N2C(=NC(=O)c3ccc(-c4cnc(C5CCCN5)nc4)cc3)SC3CS(=O)(=O)CC32)cc1,YHEKLVSOFYQQSX-UHFFFAOYSA-N
-rxn:4:202697:226844,COc1ccc(N2C(=NC(=O)c3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3)SC3CS(=O)(=O)CC32)cc1,WWQXHJOFYOSNDO-UHFFFAOYSA-N
-rxn:4:202698:223179,CCCN1C(=O)C(=C2SC(=S)N(Cc3ccccc3Cl)C2=O)c2cc(-c3ccc(F)c(C(=O)NOC)c3)ccc21,JLKBGVKBRPMYAM-UHFFFAOYSA-N
-rxn:4:202700:223179,CONC(=O)c1cc(-c2ccc(CC(=O)N3C4CCC3CC(N3C(=O)CCC3=O)C4)cc2)ccc1F,CTOKXDCGOIKFAL-UHFFFAOYSA-N
-rxn:4:202703:222609,CCCN1C(=O)C(=C2SC(=S)N(CC3CCCO3)C2=O)c2cc(-c3ccc(S(=O)(=O)Nc4ccc(F)cc4)cc3)ccc21,VHWJCSOCCVVESH-UHFFFAOYSA-N
-rxn:4:202703:223179,CCCN1C(=O)C(=C2SC(=S)N(CC3CCCO3)C2=O)c2cc(-c3ccc(F)c(C(=O)NOC)c3)ccc21,SPLZATFWPGRINM-UHFFFAOYSA-N
-rxn:4:202703:223279,CCCN1C(=O)C(=C2SC(=S)N(CC3CCCO3)C2=O)c2cc(-c3cnc(C4CCCN4)nc3)ccc21,LFTWUXLEMPGTHI-UHFFFAOYSA-N
-rxn:4:202703:226844,CCCN1C(=O)C(=C2SC(=S)N(CC3CCCO3)C2=O)c2cc(-c3ccnc(C(=O)C(F)(F)F)c3)ccc21,DKHICLSVQWVFNA-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:4:202708:226844,CCN1C(=O)C(=C2SC(=S)N(Cc3ccc(OC)cc3)C2=O)c2cc(-c3ccnc(C(=O)C(F)(F)F)c3)ccc21,XWINIYQVIJDOQE-UHFFFAOYSA-N
-rxn:4:202711:223179,CONC(=O)c1cc(-c2nc3cc([C@H]4CC[C@H](C)CN4C(=O)OC(C)(C)C)ccc3s2)ccc1F,LCVIXYITIFYANQ-YCRPNKLZSA-N
-rxn:4:202711:226844,C[C@H]1CC[C@H](c2ccc3sc(-c4ccnc(C(=O)C(F)(F)F)c4)nc3c2)N(C(=O)OC(C)(C)C)C1,NNZWHVNWAZIARR-IFXJQAMLSA-N
-rxn:4:202712:226844,CC(C)(C)OC(=O)N1CCC[C@H](N2Cc3cc(-c4ccnc(C(=O)C(F)(F)F)c4)ccc3C2=O)C1,IZRAHHQXPMYKNK-SFHVURJKSA-N
-rxn:4:202716:224410,COc1cc(-c2ccc(OCC(F)(F)F)c(C(F)(F)F)c2)cc2cc(C(=O)N3CCN(c4ccccc4)CC3)c(=O)oc12,FPYSGWAUXXQOFB-UHFFFAOYSA-N
-rxn:4:202726:223179,CONC(=O)c1cc(-c2ccc3c(c2)CCN3C2CCN(C(=O)OC(C)(C)C)CC2)ccc1F,ZJTOGHPWMCUQLO-UHFFFAOYSA-N
-rxn:4:202729:223279,CCCCN1C(=O)C(=C2SC(=S)N(C3CCCC3)C2=O)c2cc(-c3cnc(C4CCCN4)nc3)ccc21,VRGZKKHAXIAHIP-UHFFFAOYSA-N
-rxn:4:202731:222702,CC1Oc2ccccc2OC1C(=O)N1CCC(Oc2ncccc2-c2cc(C3CCCNC3)ccc2C(F)(F)F)CC1,FLPPSWYZWXRCCA-UHFFFAOYSA-N
-rxn:4:202733:223279,CCc1ccc(N2C(=O)N(Cc3ccc(-c4cnc(C5CCCN5)nc4)cc3F)C3CS(=O)(=O)CC32)cc1,JFZNMTKNMNRJLW-UHFFFAOYSA-N
-rxn:4:202736:223179,CCCN1C(=O)C(=C2SC(=S)N(C(C)c3ccccc3)C2=O)c2cc(-c3ccc(F)c(C(=O)NOC)c3)ccc21,IICBXYUYVZUVCS-UHFFFAOYSA-N
-rxn:4:202753:225991,COc1cccc(CN2C(=O)C3(SCC(=O)N3c3ccc(-c4cc(C(F)(F)F)nn4CC(C)C)cc3)c3ccccc32)c1,QJOGKJKXMGDULF-UHFFFAOYSA-N
-rxn:4:202754:226348,CC(C)(C)OC(=O)N1CCC(N2CCCc3cc(-c4ccc(OC(C)(C)C)cc4Cl)ccc32)CC1,UBKFJBPZSPJSDJ-UHFFFAOYSA-N
-rxn:4:202754:226844,CC(C)(C)OC(=O)N1CCC(N2CCCc3cc(-c4ccnc(C(=O)C(F)(F)F)c4)ccc32)CC1,OIGHRECMDJOTLL-UHFFFAOYSA-N
-rxn:4:202756:225228,CCCCN1C(=O)C(=C2SC(=S)N(C3CCCCC3)C2=O)c2cc(-c3ccc(N4CCN(C)CC4)cc3F)ccc21,YVDYVHGWHPXSMC-UHFFFAOYSA-N
-rxn:4:202756:226844,CCCCN1C(=O)C(=C2SC(=S)N(C3CCCCC3)C2=O)c2cc(-c3ccnc(C(=O)C(F)(F)F)c3)ccc21,CZIZVWKKVXIKQF-UHFFFAOYSA-N
-rxn:4:202794:222634,COC(=O)c1ccc(C2Oc3ccc(-c4ccc(OCCNC5CCCC5)c(F)c4)cc3C3CC(c4ccc(C)o4)=NN32)cc1,JGZQLNIAZWZUOE-UHFFFAOYSA-N
-rxn:4:202800:223279,CC#Cc1cc2c(c(F)c1-c1cnc(C3CCCN3)nc1)OC[C@H]1CN(C(=O)OC(C)(C)C)CCN1C2,WILDFVNCURWLCX-ZMFCMNQTSA-N
-rxn:4:203247:223531,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cccc(Oc4ccnc(C(F)(F)F)n4)c3)cc2Cl)CC1,HBCTXLSCXDFSRJ-UHFFFAOYSA-N
-rxn:4:203544:224328,CC1CCCCN1S(=O)(=O)c1cccc(-c2cc([N+](=O)[O-])ccc2C(=O)N2CCC(F)(F)C2)c1,MWODDEASPBUMDH-UHFFFAOYSA-N
-rxn:4:203690:222394,N#Cc1cc(-c2ccc(C(=O)N[C@H]3CC[C@H](O)CC3)cc2)ccc1N1CCCC(C(F)(F)F)C1,YYSLDDLSUGNQTE-FMWDMEFWSA-N
-rxn:4:203728:223761,COC(=O)C1CCN(c2ccc(-c3ccc(C4CCCN4C(=O)OC(C)(C)C)cc3)cn2)CC1,FSVZJUBUMJBDIU-UHFFFAOYSA-N
-rxn:4:203764:223696,O=S(=O)(c1ccc(-c2cnc(N3CCCC(C(F)(F)F)C3)cc2C(F)(F)F)cc1)N1CCC2(CC1)OCCO2,MACOCIJWNXWPDL-UHFFFAOYSA-N
-rxn:4:203801:222439,CN1CCN(C(=O)Cc2ccc(-c3ccc(S(=O)(=O)NC4CCCCC4)cc3C(F)(F)F)cc2)CC1,KDKNMPITQHZUID-UHFFFAOYSA-N
-rxn:4:203830:225309,CCN1CCN(C(=O)c2c(F)cc(-c3cc(C4CC4)cc(C(F)(F)F)c3Cl)cc2F)CC1,PXOVOJUTRJWDAW-UHFFFAOYSA-N
-rxn:4:203840:224975,CCN1CCN(c2ccc(-c3ccc(C(=O)CC4C(=O)N(C)C(=O)N(C)C4=O)cc3)cc2)CC1,OVBSNUUOCJFALB-UHFFFAOYSA-N
-rxn:4:203841:223179,CONC(=O)c1cc(-c2ccc(C(=O)N3CCC(N4C(=O)COC4=O)C3)cc2)ccc1F,PPYOADLWBSVYLV-UHFFFAOYSA-N
-rxn:4:203863:222708,CCN1CCN(Cc2ccc(-c3ccc(S(=O)(=O)NC(=O)CC(C)C)cc3)cc2Cl)CC1,VINRLWPVMYODEO-UHFFFAOYSA-N
-rxn:4:203880:222432,CS(=O)(=O)N1CCCC(Cc2cccc(-c3ccc(S(=O)(=O)NC4CCCCC4)c4ccccc34)n2)C1,LODJTCNIRMUYBR-UHFFFAOYSA-N
-rxn:4:203914:226844,CN1CCN(S(=O)(=O)c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)c(C(F)(F)F)c2)CC1,CGKHHSJPFWPZPX-UHFFFAOYSA-N
-rxn:4:203915:223279,O=C1COC(=O)N1C1CCN(S(=O)(=O)c2ccccc2-c2cnc(C3CCCN3)nc2)C1,XMRIJJBEOLQTIR-UHFFFAOYSA-N
-rxn:4:203937:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccccc1S(=O)(=O)N1CC(N2CCCC2)C1,ZRLBDWSHWMRSRV-UHFFFAOYSA-N
-rxn:4:203942:223179,CONC(=O)c1cc(-c2cc(C=C3C(=O)N(C)C(=S)N3C)c(OC)cc2OC)ccc1F,LNEOTLKRKDLBLY-UHFFFAOYSA-N
-rxn:4:203976:223179,CONC(=O)c1cc(-c2cc(Cl)c(S(=O)(=O)N3CCN(C(C)=O)CC3)cc2C)ccc1F,WLTDRYNOQHEUNP-UHFFFAOYSA-N
-rxn:4:203976:226844,CC(=O)N1CCN(S(=O)(=O)c2cc(C)c(-c3ccnc(C(=O)C(F)(F)F)c3)cc2Cl)CC1,WXQPTOPJSLQHLN-UHFFFAOYSA-N
-rxn:4:203977:223179,CONC(=O)c1cc(-c2ccccc2C(=O)N2CCC(N3C(=O)CSC3=O)CC2)ccc1F,WCQGLLLOAQMXJC-UHFFFAOYSA-N
-rxn:4:203986:223279,O=C(c1cc(-c2cnc(C3CCCN3)nc2)ccc1Cl)N1CCC(N2C(=O)CSC2=O)CC1,XCYPCWANVZGMNJ-UHFFFAOYSA-N
-rxn:4:203986:226844,O=C(c1cc(-c2ccnc(C(=O)C(F)(F)F)c2)ccc1Cl)N1CCC(N2C(=O)CSC2=O)CC1,JBNCEVCULVMBNI-UHFFFAOYSA-N
-rxn:4:204027:224724,CCN(CC)S(=O)(=O)c1ccc(C)c(-c2ccccc2CN2CCN(S(C)(=O)=O)C[C@@H]2C)c1,IWCSQKRJMYGQOL-FQEVSTJZSA-N
-rxn:4:204027:225805,CC(c1ccc(-c2ccccc2CN2CCN(S(C)(=O)=O)C[C@@H]2C)s1)N1CCOCC1,ROARXUYNSWVIHL-OYKVQYDMSA-N
-rxn:4:204028:225805,CC(c1ccc(-c2cccc(CN3CCN(S(C)(=O)=O)C[C@@H]3C)c2)s1)N1CCOCC1,UZPYCXVMAHVVRH-OYKVQYDMSA-N
-rxn:4:204038:223671,CN(C)C1CCN(c2ccc(-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)cc2C(F)(F)F)CC1,GDKNLPIZFTYUHS-UHFFFAOYSA-N
-rxn:4:204046:226844,O=C1CSC(=O)N1C1CCN(S(=O)(=O)c2ccccc2-c2ccnc(C(=O)C(F)(F)F)c2)CC1,SFRILIBMXXCTMR-UHFFFAOYSA-N
-rxn:4:204066:224250,Cc1cc(C(=O)N2CCC(N(C)C)CC2)cc(-c2cc(C(=O)N3CCCCC3C)ccc2F)c1,SHRRUGDCUIBBMY-UHFFFAOYSA-N
-rxn:4:204073:226844,CC(=O)N1CCN(S(=O)(=O)c2cc(-c3ccnc(C(=O)C(F)(F)F)c3)c(C)cc2C)CC1,VOZKBDBLSAHMCH-UHFFFAOYSA-N
-rxn:4:204075:223179,CONC(=O)c1cc(-c2cc(C)c(S(=O)(=O)N3CCN(C(C)=O)CC3)cc2C)ccc1F,AYKCFUSJWOETMU-UHFFFAOYSA-N
-rxn:4:204090:223482,CC(C)N1CCCC(Cc2cccc(-c3ccc(OC(F)(F)F)c(S(=O)(=O)N4CCC5(CC4)OCCO5)c3)n2)CC1,GIBGAVAUSQXJLU-UHFFFAOYSA-N
-rxn:4:204108:222651,O=C(NC1CCCCC1)c1ccc(F)c(-c2cncc(C(=O)N3CCC(c4ccccc4)S(=O)(=O)CC3)c2)c1,SSHHHJFSJRACAJ-UHFFFAOYSA-N
-rxn:4:204115:226844,O=C(c1cc(-c2ccccc2S(=O)(=O)N2CCCN(C3CCC3)CC2)ccn1)C(F)(F)F,QDXOUDCUMVBDMI-UHFFFAOYSA-N
-rxn:4:204117:225290,CC(C)Oc1cc(-c2cccc(C(=O)N3CCCN(C4CCSC4)CC3)c2)cc(C(F)(F)F)c1,UKXXXCGGLOVXFF-UHFFFAOYSA-N
-rxn:4:204118:223179,CONC(=O)c1cc(-c2ccccc2C(=O)N2CCCN(C3CCSC3)CC2)ccc1F,IKSSWWBRNYVPNL-UHFFFAOYSA-N
-rxn:4:204120:223179,CONC(=O)c1cc(-c2ccc(CN3CCCC(F)(F)C3)c(N3CCCC3)c2)ccc1F,XYNRZNJCHUQIJV-UHFFFAOYSA-N
-rxn:4:204135:223093,CC(C)S(=O)(=O)Nc1cncc(-c2ccccc2S(=O)(=O)N2CCCN(C3CCSC3)CC2)c1,PPZFICLNNLKFCR-UHFFFAOYSA-N
-rxn:4:204136:223179,CONC(=O)c1cc(-c2ccc(CN3CCCC(F)(F)C3)c(N3CCOCC3)c2)ccc1F,AMOXJHQHMGGFLH-UHFFFAOYSA-N
-rxn:4:204142:226844,CC1CN(Cc2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2N2CCOCC2)CCO1,LYWBYHGBAWLMQI-UHFFFAOYSA-N
-rxn:4:204151:223179,CONC(=O)c1cc(-c2cc(CN3CCC(F)(F)CC3)cc(N3CCCCC3)c2)ccc1F,LKJOUTSMWYGRBZ-UHFFFAOYSA-N
-rxn:4:204152:223279,FC1(F)CCN(Cc2ccc(-c3cnc(C4CCCN4)nc3)cc2N2CCCCC2)CC1,XWOYMPTUDFFHKY-UHFFFAOYSA-N
-rxn:4:204152:226844,O=C(c1cc(-c2ccc(CN3CCC(F)(F)CC3)c(N3CCCCC3)c2)ccn1)C(F)(F)F,LARBTOPLSCHMIQ-UHFFFAOYSA-N
-rxn:4:204165:223179,CONC(=O)c1cc(-c2ccc(C3=NC4(CCCCC4)N(C(=O)c4ccc(F)cc4)C3=S)cc2)ccc1F,PAGWQADZQHNEGF-UHFFFAOYSA-N
-rxn:4:204166:223179,CONC(=O)c1cc(-c2ccc(CN3CCCCC3C)c(N3CCOCC3)c2)ccc1F,YYTMGXITCRVVOH-UHFFFAOYSA-N
-rxn:4:204167:223084,CC1CCCN(Cc2ccc(-c3cnc(N4CCC(O)CC4)nc3)cc2N2CCOCC2)C1,JBRFAXIRSXIZDK-UHFFFAOYSA-N
-rxn:4:204167:226844,CC1CCCN(Cc2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2N2CCOCC2)C1,RVIJUBANBFJXPD-UHFFFAOYSA-N
-rxn:4:204168:226844,CC1CCN(Cc2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2N2CCOCC2)CC1,OQAUADGZOHOMOV-UHFFFAOYSA-N
-rxn:4:204169:226844,CC1CN(Cc2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2N2CCCCC2)CCO1,YFPPVOGXBXMZCE-UHFFFAOYSA-N
-rxn:4:204171:223179,CONC(=O)c1cc(-c2ccc(CN3CCCC(C)C3)c(N3CCCCC3)c2)ccc1F,KIWLFRLIPNGHQJ-UHFFFAOYSA-N
-rxn:4:204172:223139,CC1CCN(Cc2ccc(-c3ccc(C4CCNCC4)nc3)cc2N2CCCCC2)CC1,AEISHTZTLPPEFT-UHFFFAOYSA-N
-rxn:4:204172:226783,COc1cc(F)c(F)c(OC)c1-c1ccc(CN2CCC(C)CC2)c(N2CCCCC2)c1,NADIEMVBPCSABC-UHFFFAOYSA-N
-rxn:4:204172:226844,CC1CCN(Cc2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2N2CCCCC2)CC1,AAYGKRKBDVOUHQ-UHFFFAOYSA-N
-rxn:4:204175:226844,O=C(c1ccccc1)N1C(=S)C(c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2)=NC12CCCCCC2,KUFAJPDIASPSMK-UHFFFAOYSA-N
-rxn:4:204176:223179,CONC(=O)c1cc(-c2ccc(C3=NC4(CCCCCC4)N(C(=O)c4ccc(Cl)cc4)C3=S)cc2)ccc1F,LHUKQLXUWVKTPK-UHFFFAOYSA-N
-rxn:4:204183:222538,Cc1ccc(N2CCN(S(=O)(=O)c3cc(C)c(C)cc3-c3cc(C4CCCC4)nc(C4CCNCC4)c3)CC2)c(C)c1,JMIZZEJDRMNCAW-UHFFFAOYSA-N
-rxn:4:204184:223179,CONC(=O)c1cc(-c2c(C)cc(C)c(S(=O)(=O)N3CCN(c4cccc(Cl)c4C)CC3)c2C)ccc1F,PXGZDFIKGPXDHE-UHFFFAOYSA-N
-rxn:4:204184:226844,Cc1cc(C)c(S(=O)(=O)N2CCN(c3cccc(Cl)c3C)CC2)c(C)c1-c1ccnc(C(=O)C(F)(F)F)c1,ZEZGHQWDQSPAJU-UHFFFAOYSA-N
-rxn:4:204185:226844,Cc1cc(C)c(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)c(C)c1-c1ccnc(C(=O)C(F)(F)F)c1,DXRQYGPWFHWBLC-UHFFFAOYSA-N
-rxn:4:204186:226844,Cc1cccc(N2CCN(S(=O)(=O)c3c(C)cc(C)c(-c4ccnc(C(=O)C(F)(F)F)c4)c3C)CC2)c1C,TTZKDMKIBZKSMQ-UHFFFAOYSA-N
-rxn:4:204408:223695,COC(=O)c1cc(-c2cccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)cc2nc(C3CC3)[nH]c12,MSHPPKSNFNQXKS-UHFFFAOYSA-N
-rxn:4:204596:222636,C[C@@H](NC(=O)OC(C)(C)C)c1ccc(-c2ccc3c(n2)N(C(=O)OC(C)(C)C)CCC3)cc1,MUHROJHLWUCRKH-QGZVFWFLSA-N
-rxn:4:204599:222758,Cc1cc(-c2ccnc3c2CCN(C(=O)OC(C)(C)C)C3)ccc1NC(=O)OC(C)(C)C,SKVUORSFLSNZIT-UHFFFAOYSA-N
-rxn:4:204644:225385,CC(C)(C)OC(=O)N1CCOc2ncc(-c3cc(C(F)(F)F)nc(C(F)(F)F)c3)cc2C1,GZHFJGZQQXHLBY-UHFFFAOYSA-N
-rxn:4:204690:223179,CCCN1C(=O)C(=C2C(=O)N(CC)c3ccc(-c4ccc(F)c(C(=O)NOC)c4)cc32)SC1=S,MPNBGXQAJYXURH-UHFFFAOYSA-N
-rxn:4:204691:223179,CCCCN1C(=O)C(=C2SC(=S)N(C)C2=O)c2cc(-c3ccc(F)c(C(=O)NOC)c3)ccc21,AKNYIFDNLYLTBL-UHFFFAOYSA-N
-rxn:4:204695:223279,COC(=O)C1=C(C)N=C2SC(C)C(=O)N2C1c1cccc(-c2cnc(C3CCCN3)nc2)c1,WNHATYOQDZECEC-UHFFFAOYSA-N
-rxn:4:204696:223179,CONC(=O)c1cc(-c2ccccc2C2C(C(=O)OC)=C(C)N=C3SCCC(=O)N32)ccc1F,UZAYIAZQVBIRIR-UHFFFAOYSA-N
-rxn:4:204697:223179,CONC(=O)c1cc(-c2ccc(C3C(C(=O)OC)=C(C)N=C4SC(C)C(=O)N43)cc2)ccc1F,OUWCEQMZCASJIG-UHFFFAOYSA-N
-rxn:4:204700:223179,CONC(=O)c1cc(-c2ccc(C(=O)N3CC(N4C(=O)C5CC=CCC5C4=O)C3)o2)ccc1F,OYADHKYQNLQORS-UHFFFAOYSA-N
-rxn:4:204705:224916,Cc1cc(N2CCCC(C)C2)ccc1-c1ccc(N2C(=NC(=O)C3CC3)SC3CS(=O)(=O)CC32)c(Cl)c1,MLHFZEMZPPPMTL-UHFFFAOYSA-N
-rxn:4:204705:226844,O=C(N=C1SC2CS(=O)(=O)CC2N1c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1Cl)C1CC1,KWKTVQYNUPOJRD-UHFFFAOYSA-N
-rxn:4:204706:226844,O=C(N=C1SC2CS(=O)(=O)CC2N1c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1F)C1CC1,WIGXCRFBKUCFSG-UHFFFAOYSA-N
-rxn:4:204722:226844,CC(C)C(=O)N=C1SC2CS(=O)(=O)CC2N1c1cccc(-c2ccnc(C(=O)C(F)(F)F)c2)c1,BNEANKVHYZUHRD-UHFFFAOYSA-N
-rxn:4:204723:223179,CONC(=O)c1cc(-c2ccc(N3C(=NC(=O)C(C)C)SC4CS(=O)(=O)CC43)cc2)ccc1F,RLKWOLGSLFQOAO-UHFFFAOYSA-N
-rxn:4:204738:223179,CCCN1C(=O)C(=C2SC(=S)N(C(C)C)C2=O)c2cc(-c3ccc(F)c(C(=O)NOC)c3)ccc21,ZAYQUHNZWYZCND-UHFFFAOYSA-N
-rxn:4:204739:223179,CCC(C)N1C(=O)C(=C2C(=O)N(CC)c3ccc(-c4ccc(F)c(C(=O)NOC)c4)cc32)SC1=S,LXLOFNJYAGZWQF-UHFFFAOYSA-N
-rxn:4:204774:223179,CCN1C(=O)C(=C2SC(=S)N(Cc3ccccc3Cl)C2=O)c2cc(-c3ccc(F)c(C(=O)NOC)c3)ccc21,WQAZBHLIGVAOMG-UHFFFAOYSA-N
-rxn:4:204775:223179,CCN1C(=O)C(=C2SC(=S)N(Cc3ccc(F)cc3)C2=O)c2cc(-c3ccc(F)c(C(=O)NOC)c3)ccc21,IBWZQMKDYAOXBE-UHFFFAOYSA-N
-rxn:4:204781:223180,CONC(=O)c1ccc(-c2ccccc2C(=O)N2C3CCC2CC(N2C(=O)CCC2=O)C3)cc1F,JLIBIGCPJMCWIR-UHFFFAOYSA-N
-rxn:4:204781:223279,O=C1CCC(=O)N1C1CC2CCC(C1)N2C(=O)c1ccccc1-c1cnc(C2CCCN2)nc1,XOFRKPCVYMCCHW-UHFFFAOYSA-N
-rxn:4:204785:223179,CCN1C(=O)C(=C2SC(=S)N(CC3CCCO3)C2=O)c2cc(-c3ccc(F)c(C(=O)NOC)c3)ccc21,FJQRIQKIKOOXTB-UHFFFAOYSA-N
-rxn:4:204796:223109,CC(NC1CC1)c1ccc(-c2ccc(N3C=C(C(=O)N4CCCC4)S(=O)(=O)c4ccc(Cl)cc43)cc2)cc1,CPTYHLAGICNPNG-UHFFFAOYSA-N
-rxn:4:204797:226844,O=C(C1=CN(c2cccc(-c3ccnc(C(=O)C(F)(F)F)c3)c2)c2cc(Cl)ccc2S1(=O)=O)N1CCCC1,HBLKWQYTEFHSTH-UHFFFAOYSA-N
-rxn:4:204804:223179,CONC(=O)c1cc(-c2ccccc2S(=O)(=O)N2C3CCC2CC(N2C(=O)CCC2=O)C3)ccc1F,IZAXRFFGFPSYRC-UHFFFAOYSA-N
-rxn:4:204806:223179,CONC(=O)c1cc(-c2cccc(N3C(=NC(=O)c4cccc(C)c4)SC4CS(=O)(=O)CC43)c2)ccc1F,LGVGDUIBUJXKOO-UHFFFAOYSA-N
-rxn:4:204806:226844,Cc1cccc(C(=O)N=C2SC3CS(=O)(=O)CC3N2c2cccc(-c3ccnc(C(=O)C(F)(F)F)c3)c2)c1,NUFCATHLERJLJZ-UHFFFAOYSA-N
-rxn:4:204807:223179,CONC(=O)c1cc(-c2ccc(C(=O)N=C3SC4CS(=O)(=O)CC4N3c3ccc(C)cc3)cc2)ccc1F,JMXAHULEIKLEHV-UHFFFAOYSA-N
-rxn:4:204807:226844,Cc1ccc(N2C(=NC(=O)c3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3)SC3CS(=O)(=O)CC32)cc1,LUPGCFUWJQEURK-UHFFFAOYSA-N
-rxn:4:204808:223179,CONC(=O)c1cc(-c2ccc(N3C=C(C(=O)N4CCOCC4)S(=O)(=O)c4ccc(Cl)cc43)cc2)ccc1F,RIJIQMGKCCKMSL-UHFFFAOYSA-N
-rxn:4:204809:223279,O=C(C1=CN(c2cccc(-c3cnc(C4CCCN4)nc3)c2)c2cc(F)ccc2S1(=O)=O)N1CCOCC1,OGEAIJKTASRMIR-UHFFFAOYSA-N
-rxn:4:204815:223940,CC(C)(C)OC(=O)N1CCOc2cc(-c3ccc(S(=O)(=O)N4CCN(c5ccc(F)cc5)CC4)c4ccccc34)ccc21,FWEMNEUJBUBOMB-UHFFFAOYSA-N
-rxn:4:204831:226844,O=C(C1=CN(c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2)c2ccccc2S1(=O)=O)N1CCCCC1,YQVDCOPYEQQMPE-UHFFFAOYSA-N
-rxn:4:204835:223179,CONC(=O)c1cc(-c2ccc(N3C=C(C(=O)N4CCCCC4)S(=O)(=O)c4ccc(Cl)cc43)cc2)ccc1F,IFQKWLDBTPGFRQ-UHFFFAOYSA-N
-rxn:4:204836:223279,O=C(C1=CN(c2cccc(-c3cnc(C4CCCN4)nc3)c2)c2cc(F)ccc2S1(=O)=O)N1CCCCC1,ZQRKFQROZQHMBJ-UHFFFAOYSA-N
-rxn:4:204846:223279,Cc1ccc(C)c(N2C(=O)N(Cc3ccc(-c4cnc(C5CCCN5)nc4)cc3F)C3CS(=O)(=O)CC32)c1,OKITXKOEQVEPHL-UHFFFAOYSA-N
-rxn:4:204846:226844,Cc1ccc(C)c(N2C(=O)N(Cc3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3F)C3CS(=O)(=O)CC32)c1,YETHIWJDLSKYKI-UHFFFAOYSA-N
-rxn:4:204867:223179,CONC(=O)c1cc(-c2cccc(N3C=C(C(=O)N4CCC(C)CC4)S(=O)(=O)c4ccc(Cl)cc43)c2)ccc1F,CXBAYPJLYRJAPV-UHFFFAOYSA-N
-rxn:4:204867:223279,CC1CCN(C(=O)C2=CN(c3cccc(-c4cnc(C5CCCN5)nc4)c3)c3cc(Cl)ccc3S2(=O)=O)CC1,VKLODIGSRHOCNG-UHFFFAOYSA-N
-rxn:4:204868:223279,CC1CCN(C(=O)C2=CN(c3ccc(-c4cnc(C5CCCN5)nc4)cc3)c3cc(Cl)ccc3S2(=O)=O)CC1,BJWUXWMQEAUARR-UHFFFAOYSA-N
-rxn:4:204869:223179,CONC(=O)c1cc(-c2ccc(N3C=C(C(=O)N4CCCCC4)S(=O)(=O)c4ccc(Cl)cc43)cc2C)ccc1F,AGQOGHGOVNYSFQ-UHFFFAOYSA-N
-rxn:4:204869:223279,Cc1cc(N2C=C(C(=O)N3CCCCC3)S(=O)(=O)c3ccc(Cl)cc32)ccc1-c1cnc(C2CCCN2)nc1,AJEWCPFMKVGCQK-UHFFFAOYSA-N
-rxn:4:204870:223179,CONC(=O)c1cc(-c2ccc(N3C=C(C(=O)N4CCCCC4)S(=O)(=O)c4ccc(F)cc43)cc2C)ccc1F,RXCKACSBCKBLLX-UHFFFAOYSA-N
-rxn:4:204874:224699,O=C1C2C(c3ccc(-c4ccc(Oc5cc(F)cc(F)c5)cc4)cc3)OC3(C(=O)c4ccccc4C3=O)C2C(=O)N1c1cccc([N+](=O)[O-])c1,GKEIASXOXSDMCB-UHFFFAOYSA-N
-rxn:4:204877:223279,Cc1cc(N2C=C(C(=O)N3CCC(C)CC3)S(=O)(=O)c3ccccc32)ccc1-c1cnc(C2CCCN2)nc1,LUILAXRRNCKHIM-UHFFFAOYSA-N
-rxn:4:204877:226844,Cc1cc(N2C=C(C(=O)N3CCC(C)CC3)S(=O)(=O)c3ccccc32)ccc1-c1ccnc(C(=O)C(F)(F)F)c1,ISDDWMUPWZTHPM-UHFFFAOYSA-N
-rxn:4:204898:224752,Cc1cc(S(=O)(=O)N2CCCC2)ccc1-c1cccc2[nH]c3c(c12)CN(C(=O)OC(C)(C)C)CC3,CXKJKECWEYUKLI-UHFFFAOYSA-N
-rxn:4:204900:225304,CC(C)(C)c1ncc(C(F)(F)F)cc1-c1ccc2c3c(cccc13)C(=O)N(CCN1CCOCC1)C2=O,FTTXVWSPJFKMJJ-UHFFFAOYSA-N
-rxn:4:205459:223559,COC(=O)c1c(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)c(C)nn1C,NXCXSKABOAMKPQ-UHFFFAOYSA-N
-rxn:4:206200:223504,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(Cl)c(C(=O)N4CCCC4)c3)cc2[N+](=O)[O-])CC1,HRWFRDVLCMCVIP-UHFFFAOYSA-N
-rxn:4:206232:223574,CC(C)(C)OC(=O)N1CCN(Cc2cccc(-c3nc(C(=O)N4CCC(F)(F)CC4)cs3)c2)CC1,LDZOKHGKTGLKJV-UHFFFAOYSA-N
-rxn:4:206494:223595,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc(CN4CCOCC4)nc3)cc2F)CC1,QAGYNUMKCVDGPU-UHFFFAOYSA-N
-rxn:4:206572:223638,CC(C)(C)OC(=O)N1CCCC(c2cccc(-c3cncn3CC3CCCCC3)c2)C1,UMGYCGOEEBQFBW-UHFFFAOYSA-N
-rxn:4:206638:223557,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc(N4CCCC(F)(F)C4)cc3C#N)c(F)ccc21,RUJFDYJUPMQYGO-UHFFFAOYSA-N
-rxn:4:206772:222630,FC1(F)CCN(c2ncc(-c3cc(C4CCC4)nc(C4CCNCC4)c3)cc2C(F)(F)F)CC1,NIFWZGQCCVQZRD-UHFFFAOYSA-N
-rxn:4:206855:222589,CC1CCCCN1c1ccc(-c2ccc(OCCN3CCC(O)CC3)c(Cl)c2)cc1C#N,GMHJNOYUOQUUJP-UHFFFAOYSA-N
-rxn:4:206870:223842,CC1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2ccc(C(=O)N3CCN(C)CC3)c(F)c2)CC1,FZKVBQNLBZLBDS-UHFFFAOYSA-N
-rxn:4:206955:222584,CN1CCN(S(=O)(=O)c2ccc(-c3ccc(OCCCN4CCNCC4)c(F)c3)cc2)CC1,WLNYUEAZKRURPY-UHFFFAOYSA-N
-rxn:4:206960:222693,CS(=O)(=O)N1CCN(c2ccc(-c3ccc(S(=O)(=O)NC4CCCCC4)cc3)cc2)CC1,XWPXJCZJJQJRET-UHFFFAOYSA-N
-rxn:4:206970:223772,COc1ccc2cc(-c3cc(N4CCC(C)CC4)c([N+](=O)[O-])cc3F)n(C(=O)OC(C)(C)C)c2c1,QGAKEVXMDYTERC-UHFFFAOYSA-N
-rxn:4:207064:222465,Cc1cc(-c2cc(C3CCCCC3)nc(C3CCCNC3)c2)c(S(=O)(=O)N2CCN(C)CC2)cc1Cl,PMAZXWRODOWDHI-UHFFFAOYSA-N
-rxn:4:207081:222931,CC1(C)OCC2(CO1)CN(C(=O)c1cncc(-c3cnc(Cl)c(N4CCCCC4O)c3)c1)C2,MCIVSFOCSZZZAY-UHFFFAOYSA-N
-rxn:4:207086:223054,Cc1cc(-c2ccc(C(C)N3CCC(O)C3)s2)cc(C)c1S(=O)(=O)N1CCN(C)CC1,ZPYJOKSQFUZKKJ-UHFFFAOYSA-N
-rxn:4:207091:223179,CONC(=O)c1cc(-c2ccc(N3C(=O)CC(N4CCCCCC4)C3=O)cc2)ccc1F,JXICFSDYLYXGRE-UHFFFAOYSA-N
-rxn:4:207092:223179,CONC(=O)c1cc(-c2cc(C3=NC(C)(C)CO3)ccc2C2=NC(C)(C)CO2)ccc1F,LLYYTIRTJAIXJF-UHFFFAOYSA-N
-rxn:4:207576:223843,CCN(CC)S(=O)(=O)c1ccc(-c2cnn(CC)c2C23CC(C)CC2O3)c(C(F)(F)F)c1,JXNFWHMYROETMA-UHFFFAOYSA-N
-rxn:4:207769:223179,CCCN1C(=O)C(=C2SC(=S)N(C)C2=O)c2cc(-c3ccc(F)c(C(=O)NOC)c3)ccc21,FTJYHASRPSCWMT-UHFFFAOYSA-N
-rxn:4:207769:226844,CCCN1C(=O)C(=C2SC(=S)N(C)C2=O)c2cc(-c3ccnc(C(=O)C(F)(F)F)c3)ccc21,WUGTTWULUAQOKB-UHFFFAOYSA-N
-rxn:4:207779:222920,Cc1cc(S(=O)(=O)NC2CC2)ccc1-c1ccc(S(=O)(=O)N2CCN3CCC2CC3)cc1,YBVGGFRFEDBOHT-UHFFFAOYSA-N
-rxn:4:207843:225182,CCN1CCN(C2CCCc3cc(-c4ccnc(OC5CCCCC5)c4Cl)ccc32)CC1,XSXRDPVIGBHDFZ-UHFFFAOYSA-N
-rxn:4:207846:223179,CCN1C(=O)C(=C2SC(=S)N(C3CCCC3)C2=O)c2cc(-c3ccc(F)c(C(=O)NOC)c3)ccc21,GMGHVGSNFCGYGE-UHFFFAOYSA-N
-rxn:4:207846:223279,CCN1C(=O)C(=C2SC(=S)N(C3CCCC3)C2=O)c2cc(-c3cnc(C4CCCN4)nc3)ccc21,WLSIYSMGRADFLL-UHFFFAOYSA-N
-rxn:4:207858:223179,CCN1C(=O)C(=C2SC(=S)N(C3CCCCC3)C2=O)c2cc(-c3ccc(F)c(C(=O)NOC)c3)ccc21,MHZIDYPWIVMXFO-UHFFFAOYSA-N
-rxn:4:207858:223279,CCN1C(=O)C(=C2SC(=S)N(C3CCCCC3)C2=O)c2cc(-c3cnc(C4CCCN4)nc3)ccc21,GIEAFDFURWIGSZ-UHFFFAOYSA-N
-rxn:4:207890:224890,Cc1c(-c2cc(C3CC3)cc(N3CCCC3)c2)cnn1CC12CC3CC(CC(C3)C1)C2,SBNBQSFTHYJNQK-UHFFFAOYSA-N
-rxn:4:207959:223134,Cc1ccc(C2=NN3C(C2)c2cc(-c4cnccc4C4CCCNC4)ccc2OC3C2CCCCC2)cc1,RWRYAPANVCGMKS-UHFFFAOYSA-N
-rxn:4:207959:223136,Cc1ccc(C2=NN3C(C2)c2cc(-c4ccncc4C4CCCNC4)ccc2OC3C2CCCCC2)cc1,CNZJFFSPBOZLPV-UHFFFAOYSA-N
-rxn:4:207959:226844,Cc1ccc(C2=NN3C(C2)c2cc(-c4ccnc(C(=O)C(F)(F)F)c4)ccc2OC3C2CCCCC2)cc1,DJINJXNHKIZVPN-UHFFFAOYSA-N
-rxn:4:207960:223816,CC1(C)CC(=O)C2=C(C1)N=c1sc(=Cc3cccc(-c4cc5c(Cl)ccnc5n4COCC[Si](C)(C)C)c3)c(=O)n1C2c1ccccc1,XSTHJKUOQYLKMR-UHFFFAOYSA-N
-rxn:4:207970:223482,N#Cc1csc(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)n1,ZNARIJCNILMMFR-UHFFFAOYSA-N
-rxn:4:208435:223498,CC(C)(C)OC(=O)N1CCCN(C(=O)c2ccc(-c3cn(C4CC4(F)F)cn3)cc2)CC1,WTKPBXSXHDXSFA-UHFFFAOYSA-N
-rxn:4:209223:223536,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cc(N4CCSC4)ccn3)cc(F)c2F)CC1,OAAGOTFFKDKEAK-UHFFFAOYSA-N
-rxn:4:209525:223689,CCN1CCN(S(=O)(=O)c2cc(-c3cncc(C4COCCC4=O)n3)ccc2OC)CC1,RBRAWUVMJJRNPN-UHFFFAOYSA-N
-rxn:4:209822:223474,Cc1nn(C2CCOCC2)c(C)c1-c1ccc(OCc2ccccc2)c(C23CC4CC(CC(C4)C2)C3)c1,LBDHKDCPLTYOSE-UHFFFAOYSA-N
-rxn:4:210792:223539,COc1ccc(-c2ccc3nc(N4CCCC4)sc3c2)cc1S(=O)(=O)N1CCC2(CC1)OCCO2,WIDNADSWEKHTAC-UHFFFAOYSA-N
-rxn:4:210941:223482,O=S(=O)(c1cc(-c2cc3cnn(C4CCCCO4)c3cc2Cl)ccc1OC(F)(F)F)N1CCC2(CC1)OCCO2,IHCJRIWZVYNKEY-UHFFFAOYSA-N
-rxn:4:211061:223279,CN1C(=O)C(=C2SC(=S)N(C3CCS(=O)(=O)C3)C2=O)c2cc(-c3cnc(C4CCCN4)nc3)ccc21,YAGQZZBJAQMIPL-UHFFFAOYSA-N
-rxn:4:211089:224421,CC(C)c1cc(C(C)C)c(-c2ccc3c(c2)N2CCCCCC2=C(C#N)S3(=O)=O)c(C(C)C)c1,BUSRQDXBSVVFGX-UHFFFAOYSA-N
-rxn:4:211094:223832,COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1-c1ccc2c(c1)C1CC(c3ccc(Cl)cc3)=NN1C(C)O2,PUJYCNFBYSFAKX-UHFFFAOYSA-N
-rxn:4:211100:226652,Cc1cc(-c2ccc3c(c2)C2CC(c4ccc(Cl)cc4)=NN2C2(CCC(C)CC2)O3)n(C2CCCCO2)n1,LLTOBWAJNDQXRT-UHFFFAOYSA-N
-rxn:4:211101:224885,Cc1ccc(C2=NN3C(C2)c2cc(-c4ccccc4CN4CCC(C)CC4)ccc2OC32CCC(C)CC2)cc1,OXJJPEASYRPNLH-UHFFFAOYSA-N
-rxn:4:211101:225830,Cc1ccc(C2=NN3C(C2)c2cc(-c4cnc(N5CCCCC5)nc4C)ccc2OC32CCC(C)CC2)cc1,HJILHFDHCDHZTQ-UHFFFAOYSA-N
-rxn:4:211101:227613,Cc1ccc(C2=NN3C(C2)c2cc(-c4cnn(C5CCOCC5)c4)ccc2OC32CCC(C)CC2)cc1,WWIYHBPGUDMXQB-UHFFFAOYSA-N
-rxn:4:211105:224420,Cc1cc2c(cc1-c1ccc(-n3sc4c(c3=S)-c3cc(C)c(C)c5c3N(C(=O)C5=O)C4(C)C)cc1)C(C)(C)CCC2(C)C,WHLVJMAVUBQWPA-UHFFFAOYSA-N
-rxn:4:212521:223279,O=S(=O)(CCC(F)(F)F)N1CCC(Oc2ncc(-c3cnc(C4CCCN4)nc3)cn2)C1,CZYZKQFFXMPGPC-UHFFFAOYSA-N
-rxn:4:212538:223883,CCN(Cc1nn(C)cc1-c1ccc2c(c1)CCCN2C(=O)OC(C)(C)C)C(=O)OC(C)(C)C,NBWDWKYCDPZEFK-UHFFFAOYSA-N
-rxn:4:212541:223895,CCN1CCN(CCOc2ccc(-c3cncc(OCC4CN(C(=O)OC(C)(C)C)C4)n3)cc2)CC1,ZGUDECYVXVQHPQ-UHFFFAOYSA-N
-rxn:4:212546:225555,Cn1ncc(-c2ccc(C(=O)OC(C)(C)C)cc2)c1CN(C(=O)OC(C)(C)C)C1CC1,ZWTURXUKQOBUHM-UHFFFAOYSA-N
-rxn:4:212569:226272,CCN(C)C(=O)c1cccc(-c2cnn(CC3CN(C(=O)CSC4CCCC4)C3)c2)c1,LPFRXPVVUZVANJ-UHFFFAOYSA-N
-rxn:4:212571:223649,Cn1cc(-c2cccc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)c(OCC2CN(C(=O)OC(C)(C)C)C2)n1,CZGWYKAXJCHOGC-UHFFFAOYSA-N
-rxn:4:212581:224686,O=C(c1ccc(-c2ccc(CSC3=NCCN3S(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2)c(F)c1)N1CCCCC1,OBNQKFIKLWKYAU-UHFFFAOYSA-N
-rxn:4:212593:223279,CN(C(=O)c1ccc(-c2cnc(C3CCCN3)nc2)nc1)C1CN(C(=O)OC(C)(C)C)C1,INZZBPBPBFRIFS-UHFFFAOYSA-N
-rxn:4:212605:226844,Cn1cc(-c2ccnc(C(=O)C(F)(F)F)c2)c(OCC2CCN(C(=O)OC(C)(C)C)C2)n1,PQHACLLQDJGTBC-UHFFFAOYSA-N
-rxn:4:212606:223179,CONC(=O)c1cc(-c2cnc(OCC3CCCN(C(=O)CC(C)C)C3)nc2)ccc1F,KXWFCXFFQRJWHI-UHFFFAOYSA-N
-rxn:4:212608:223179,CONC(=O)c1cc(-c2cnc(OC3CCCN(C(=O)C(C)(C)OC(C)=O)C3)nc2)ccc1F,LQTRHOZGTINPCJ-UHFFFAOYSA-N
-rxn:4:212618:226844,CC(C)(C)OC(=O)N1CCCC(COc2cnc(-c3ccnc(C(=O)C(F)(F)F)c3)cn2)C1,JVKLEIFGFZRFOF-UHFFFAOYSA-N
-rxn:4:212631:226423,O=C(c1cncc(-c2ccc(Cl)c(N3CCCC3)c2)c1)N1CCC(COc2ncccc2C(F)(F)F)CC1,UANCTHLLMTZCDQ-UHFFFAOYSA-N
-rxn:4:212634:223179,CONC(=O)c1cc(-c2cn(C)nc2CN(C(=O)OC(C)(C)C)C2CCCC2)ccc1F,UIRGXEOTWLDRJO-UHFFFAOYSA-N
-rxn:4:212639:223279,CC(C)(C)OC(=O)N1CCN(C(=O)Cc2cncc(-c3cnc(C4CCCN4)nc3)c2)CC1,KGBCEUCXHGKLBE-UHFFFAOYSA-N
-rxn:4:212645:223279,Cn1cc(-c2cnc(C3CCCN3)nc2)c(CN(C(=O)OC(C)(C)C)C2CCOCC2)n1,GINXYIHKDFRXJE-UHFFFAOYSA-N
-rxn:4:212647:223279,CC(C)(C)OC(=O)N1CCCCC1CCc1cnc(-c2cnc(C3CCCN3)nc2)cn1,UPLAMXYLETZDBN-UHFFFAOYSA-N
-rxn:4:212649:226844,CCC(C)(C)C(=O)N1CCCC(COc2ncc(-c3ccnc(C(=O)C(F)(F)F)c3)cn2)C1,PLZHEZWEARSTBD-UHFFFAOYSA-N
-rxn:4:212650:223179,CONC(=O)c1cc(-c2cnc(OCC3CCCN(C(=O)CC(C)(C)C)C3)nc2)ccc1F,JCZWUZNPWVVDPX-UHFFFAOYSA-N
-rxn:4:212653:223279,COC(=O)c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)c(-c2cnc(C3CCCN3)nc2)n1,LJAHGDAGRQJLOM-UHFFFAOYSA-N
-rxn:4:212656:223279,COC(=O)c1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)c(-c2cnc(C3CCCN3)nc2)c1,PZTNWINCSCZLLX-UHFFFAOYSA-N
-rxn:4:212656:226844,COC(=O)c1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)c(-c2ccnc(C(=O)C(F)(F)F)c2)c1,LXCXTVGXHVVPQG-UHFFFAOYSA-N
-rxn:4:212663:226844,COC(=O)c1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1-c1ccnc(C(=O)C(F)(F)F)c1,UCVUYQHCLURKDT-UHFFFAOYSA-N
-rxn:4:212685:227964,COC(=O)c1ccc(N2CCN(S(=O)(=O)c3ccc(-c4cncc(C5(C)CC5)c4)cc3)CC2)c([N+](=O)[O-])c1,LCUXAXKSBWQTAZ-UHFFFAOYSA-N
-rxn:4:212689:223279,Cn1cc(-c2cnc(C3CCCN3)nc2)c(CN(C(=O)OC(C)(C)C)C2CCCCC2)n1,CKXQWKVYHMSFIM-UHFFFAOYSA-N
-rxn:4:212691:223080,CC(C)NS(=O)(=O)c1ccc(-c2ccc(C(=O)N(C)C3CCN(C(=O)OC(C)(C)C)CC3)cn2)cc1,VWTLKQZFUZOUAG-UHFFFAOYSA-N
-rxn:4:212692:223279,CC1CN(C(=O)Cc2cncc(-c3cnc(C4CCCN4)nc3)c2)CCN1C(=O)OC(C)(C)C,DUEORPGUFADLMV-UHFFFAOYSA-N
-rxn:4:212704:223279,CN(CC1CCN(C(=O)OC(C)(C)C)CC1)c1cccc(-c2cnc(C3CCCN3)nc2)n1,LXNRCUOQZNTBIQ-UHFFFAOYSA-N
-rxn:4:212722:223279,Cc1ccc(S(=O)(=O)N(Cc2ccc(-c3cnc(C4CCCN4)nc3)cc2)C(=O)N2CCN(C)CC2)cc1,WYURNRZDWQZQFV-UHFFFAOYSA-N
-rxn:4:212732:223940,CC(C)(C)OC(=O)N1CCOc2cc(-c3ccc(S(=O)(=O)c4ccc(C(=O)N5CCN(Cc6ccccc6)CC5)cn4)cc3)ccc21,WHSWNLDVPLOGJA-UHFFFAOYSA-N
-rxn:4:212734:223179,CCC(C)N1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OC)c(-c3ccc(F)c(C(=O)NOC)c3)c2)SC1=S,LFUMVEBZXNMCEU-UHFFFAOYSA-N
-rxn:4:212734:226844,CCC(C)N1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OC)c(-c3ccnc(C(=O)C(F)(F)F)c3)c2)SC1=S,PFDUEWXTYQJWKI-UHFFFAOYSA-N
-rxn:4:212737:223179,CONC(=O)c1cc(-c2cc(CN3CCOCC3)cc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)ccc1F,KWDUZURRPASSEK-UHFFFAOYSA-N
-rxn:4:212740:223179,CONC(=O)c1cc(-c2cc(CN3CCCCC3)cc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)ccc1F,ONCNJMDWJJKARW-UHFFFAOYSA-N
-rxn:4:212740:226844,CC(C)(C)OC(=O)N1CCN(c2cc(CN3CCCCC3)cc(-c3ccnc(C(=O)C(F)(F)F)c3)c2)CC1,PNCDIEGHACYNQK-UHFFFAOYSA-N
-rxn:4:212745:224028,CC1CN(c2cc(CN3CCOCC3)cc(-c3ccccc3-c3ccc4ccccc4c3)c2)CCN1C(=O)OC(C)(C)C,XDUYQRSLJVXTFZ-UHFFFAOYSA-N
-rxn:4:212745:226844,CC1CN(c2cc(CN3CCOCC3)cc(-c3ccnc(C(=O)C(F)(F)F)c3)c2)CCN1C(=O)OC(C)(C)C,QASAQXVMBOLXHL-UHFFFAOYSA-N
-rxn:4:212746:223179,CONC(=O)c1cc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)C(C)C3)c(N3CCOCC3)c2)ccc1F,HZCXDFITSQWWJR-UHFFFAOYSA-N
-rxn:4:212748:223179,CONC(=O)c1cc(-c2cc(CN3CCCCC3)cc(N3CCN(C(=O)OC(C)(C)C)C(C)C3)c2)ccc1F,TXSLABKYDFWQRW-UHFFFAOYSA-N
-rxn:4:212749:223179,CONC(=O)c1cc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)C(C)C3)c(N3CCCCC3)c2)ccc1F,WTVQELJADJAUJP-UHFFFAOYSA-N
-rxn:4:212750:223179,CONC(=O)c1cc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3C)c(N3CCCCC3)c2)ccc1F,RBCPVOOHZFLRNS-UHFFFAOYSA-N
-rxn:4:212750:227571,CCOc1cc(F)c(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3C)c(N3CCCCC3)c2)cc1Cl,CBAPOSYVYYGZJD-UHFFFAOYSA-N
-rxn:4:212751:223179,CONC(=O)c1cc(-c2cc(CN3CCC(F)(F)CC3)cc(N3CCN(C(=O)OC(C)(C)C)C(C)C3)c2)ccc1F,GXNSEKPCZJHGKT-UHFFFAOYSA-N
-rxn:4:212751:223279,CC1CN(c2cc(CN3CCC(F)(F)CC3)cc(-c3cnc(C4CCCN4)nc3)c2)CCN1C(=O)OC(C)(C)C,ZMQZVHYZIXOPLA-UHFFFAOYSA-N
-rxn:4:212751:226844,CC1CN(c2cc(CN3CCC(F)(F)CC3)cc(-c3ccnc(C(=O)C(F)(F)F)c3)c2)CCN1C(=O)OC(C)(C)C,IPEUMIRHEAZKDQ-UHFFFAOYSA-N
-rxn:4:212761:225333,COC(=O)Cn1c(=NC(=O)c2ccc(-c3ccc(COCC(F)(F)F)c(F)c3)s2)sc2cc(S(N)(=O)=O)ccc21,DAESGLWCDIKPIU-UHFFFAOYSA-N
-rxn:4:212768:223179,CCOC(=O)c1nc(-c2ccc(F)c(C(=O)NOC)c2)n2c1CN(C(=O)OC(C)(C)C)CC2,FZDYMGUNYJRMJR-UHFFFAOYSA-N
-rxn:4:212770:223279,CCOC(=O)c1nn2c(c1-c1cnc(C3CCCN3)nc1)CN(C(=O)OC(C)(C)C)CC2,FDMCAZOSKSLQRL-UHFFFAOYSA-N
-rxn:4:212781:223903,COC(=O)Cn1c(=NC(=O)c2cccc(-c3ccccc3CCC(=O)N3CCC(=O)CC3)c2)sc2cc(S(N)(=O)=O)ccc21,SYXDGUIPRFKSLA-UHFFFAOYSA-N
-rxn:4:212799:223179,CONC(=O)c1cc(-c2ccc3nc(N(CCN(C)C)C(=O)C4CCCCC4)sc3c2)ccc1F,GWJLFTNUPOZWCF-UHFFFAOYSA-N
-rxn:4:212808:223179,CCCCN1C(=O)C(=Cc2c(Oc3ccc(-c4ccc(F)c(C(=O)NOC)c4)cc3)nc3ccccn3c2=O)SC1=S,OCLKNZKAAMLGLK-UHFFFAOYSA-N
-rxn:4:212814:226844,CC(C)(C)OC(=O)N1Cc2c(nn(C(=O)OC(C)(C)C)c2-c2ccnc(C(=O)C(F)(F)F)c2)C1(C)C,DNEBBTKVXIEZEU-UHFFFAOYSA-N
-rxn:4:212814:228565,CSCc1ccc(-c2c3c(nn2C(=O)OC(C)(C)C)C(C)(C)N(C(=O)OC(C)(C)C)C3)cc1,HKSOKPVUIATOHQ-UHFFFAOYSA-N
-rxn:4:212828:223279,COc1ccc(-c2cnc(C3CCCN3)nc2)c(C(=O)N(Cc2nn(C)c3c2CCC3)C2CCCC2)c1,GRMUNYMXMGFBQS-UHFFFAOYSA-N
-rxn:4:212829:226844,CN(C(=O)c1cc2cc(-c3ccnc(C(=O)C(F)(F)F)c3)ccc2[nH]1)C1CCN(C(=O)OC(C)(C)C)CC1,RUFFQSYOCYVMKQ-UHFFFAOYSA-N
-rxn:4:212830:226844,CN(C(=O)c1cc2cc(-c3ccnc(C(=O)C(F)(F)F)c3)ccc2[nH]1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1,YCZGUUIFTIQFNG-LJQANCHMSA-N
-rxn:4:212832:223179,CCC1CCCCN1C(=O)CSc1nc2c(c(=O)n1-c1ccc(-c3ccc(F)c(C(=O)NOC)c3)cc1)SCC2,HCKYLASANGKCFU-UHFFFAOYSA-N
-rxn:4:212833:225977,Cc1cc(C)c2sc(N(CCN3CCOCC3)C(=O)c3ccccc3-c3cc(Cl)cnc3N3CCOCC3)nc2c1,QFWXHZICISWPFI-UHFFFAOYSA-N
-rxn:4:212843:223179,CONC(=O)c1cc(-c2ccc(N3CCN(C)CC3)c3c2CC[C@@H](N(Cc2ccccc2)Cc2ccccc2)C3)ccc1F,SHMPIOQNOLNOQY-SSEXGKCCSA-N
-rxn:4:212848:223279,CC(C)(C)OC(=O)N1CCc2c(c3ccc(-c4cnc(C5CCCN5)nc4)nc3n2C(=O)OC(C)(C)C)C1,JNDNVZCWXBLPSF-UHFFFAOYSA-N
-rxn:4:212848:227121,CC(C)(C)OC(=O)N1CCc2c(c3ccc(-c4ccc(C(C)(C)C)cc4Cl)nc3n2C(=O)OC(C)(C)C)C1,PSPIJXDUVPSCRB-UHFFFAOYSA-N
-rxn:4:212849:226844,O=C(c1ccccc1-c1ccnc(C(=O)C(F)(F)F)c1)N(Cc1ccccc1)c1nnc(C23CC4CC(CC(C4)C2)C3)s1,YYKDMWLNHIYSPW-UHFFFAOYSA-N
-rxn:4:212923:224970,CC(C)(C)OC(=O)N1CC(C#N)(c2ccc(-c3ccc(S[Si](C)(C)C(C)(C)C)cc3)cn2)C1,UMWXITOOADEVDH-UHFFFAOYSA-N
-rxn:4:212942:224082,CCC(C(=O)OC(C)(C)C)c1cccc(-c2cnn(CC3CN(C(=O)c4cc(Cl)ccc4OC)C3)c2)c1,HTFPIQOANBZAES-UHFFFAOYSA-N
-rxn:4:212943:226844,CCOC(=O)N1CCN(c2ncc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2C(F)(F)F)CC1,SQZVWNGECKMYJG-UHFFFAOYSA-N
-rxn:4:212968:225893,COCCOc1c(Cl)ccc(-c2cnc(OCC3CCCN(C(=O)C4CC4)C3)nc2)c1F,DFQYXLCVGUXHEB-UHFFFAOYSA-N
-rxn:4:212973:226844,O=C(CN1CCOC1=O)N1CCC(Oc2ncccc2-c2ccnc(C(=O)C(F)(F)F)c2)C1,BJADTPVAZYZOFF-UHFFFAOYSA-N
-rxn:4:212988:222809,CC(C)(C)OC(=O)Nc1cnc(Cl)cc1-c1nc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cs1,WTVIZBUOVTZHGY-UHFFFAOYSA-N
-rxn:4:212992:223179,CONC(=O)c1cc(-c2cnc(OCC3CCCN(S(=O)(=O)C4CC4)C3)nc2)ccc1F,WUCIJUSKUMGRNW-UHFFFAOYSA-N
-rxn:4:212992:226844,O=C(c1cc(-c2cnc(OCC3CCCN(S(=O)(=O)C4CC4)C3)nc2)ccn1)C(F)(F)F,XRWNWKOSRDFJNY-UHFFFAOYSA-N
-rxn:4:213011:222634,CC(C)C(=O)N1CCCC(COc2ncc(-c3ccc(OCCNC4CCCC4)c(F)c3)cn2)C1,YTOODIBJBHURDB-UHFFFAOYSA-N
-rxn:4:213014:225145,CCOC(=O)c1nc(N2CCN(CC)CC2)ccc1-c1ccc(N2CCOCC2)c(C#N)c1,QSWRSNFMFMJDHY-UHFFFAOYSA-N
-rxn:4:213037:223602,CC(C)CCN1CCC(Oc2ncc(-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3Cl)cn2)CC1,AXMMJOHGTOZMSQ-UHFFFAOYSA-N
-rxn:4:213039:223179,CONC(=O)c1cc(-c2cncc(OC3CCN(C(=O)OC(C)(C)C)CC3)n2)ccc1F,GPAZJZALOORBEU-UHFFFAOYSA-N
-rxn:4:213046:223179,CONC(=O)c1cc(-c2cnc(OC3CCN(C(=O)OC(C)(C)C)C3)nc2C)ccc1F,GBQMCHMMHOWQMH-UHFFFAOYSA-N
-rxn:4:213052:223179,CONC(=O)c1cc(-c2cnc(OCC3CCN(C(=O)C4CC(F)(F)C4)CC3)nc2)ccc1F,RPASZNSPNQDDFD-UHFFFAOYSA-N
-rxn:4:213052:223279,O=C(C1CC(F)(F)C1)N1CCC(COc2ncc(-c3cnc(C4CCCN4)nc3)cn2)CC1,DDZYQGZCRKIKQE-UHFFFAOYSA-N
-rxn:4:213059:223541,CN(C(=O)Cn1nc(-c2ccc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCC4(CC3)OCCO4)cc2)ccc1=O)c1ccccc1,IVZUGYPSLOZUSQ-UHFFFAOYSA-N
-rxn:4:213062:223761,CC(C)(C)OC(=O)N1CCCC1c1ccc(-c2cnc(OC3CCN(C(=O)Cc4ccc(F)cc4F)CC3)nc2)cc1,OXNBFJUHKNPXLC-UHFFFAOYSA-N
-rxn:4:213062:224711,CCCCOc1ccc(C(F)(F)F)cc1-c1cnc(OC2CCN(C(=O)Cc3ccc(F)cc3F)CC2)nc1,ICPUKQPMWHBSEV-UHFFFAOYSA-N
-rxn:4:213065:224256,CC1CCCCN1C(=O)c1cc(-c2cnc(OC3CCCN(C(=O)c4ccc(C(F)(F)F)cc4)C3)nc2)ccc1Cl,DMTKHAMVBPZVMI-UHFFFAOYSA-N
-rxn:4:213066:223279,O=C(c1ccc(-c2cnc(C3CCCN3)nc2)o1)N1CCC(N2CC(=O)N(CC(F)(F)F)C2=O)CC1,PXQNAFRKKPGLET-UHFFFAOYSA-N
-rxn:4:213072:223179,CONC(=O)c1cc(-c2cnn(CC3CCCN(C(=O)OC(C)(C)C)C3)c2)ccc1F,RUVTZTSDCIYPED-UHFFFAOYSA-N
-rxn:4:213073:223098,CC(=O)NS(=O)(=O)c1ccc(-c2ccnn2CC2CCN(C(=O)OC(C)(C)C)CC2)cc1,DXTHROWUZSEBMX-UHFFFAOYSA-N
-rxn:4:213075:223179,CONC(=O)c1cc(-c2cccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)n2)ccc1F,CCKNMXQSFJASLV-UHFFFAOYSA-N
-rxn:4:213078:223179,CONC(=O)c1cc(-c2cnn(C3CCN(C(=O)OC(C)(C)C)CC3)c2C(F)F)ccc1F,UUTSRMKZBWEHLN-UHFFFAOYSA-N
-rxn:4:213078:223279,CC(C)(C)OC(=O)N1CCC(n2ncc(-c3cnc(C4CCCN4)nc3)c2C(F)F)CC1,WZHHAKTYYXWQLJ-UHFFFAOYSA-N
-rxn:4:213078:226844,CC(C)(C)OC(=O)N1CCC(n2ncc(-c3ccnc(C(=O)C(F)(F)F)c3)c2C(F)F)CC1,WSSDXJXYIVBJKH-UHFFFAOYSA-N
-rxn:4:213079:223279,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3cnc(C4CCCN4)nc3)nc2)CC1,MHKLQRPNKWTAPQ-UHFFFAOYSA-N
-rxn:4:213080:223279,CC(C)(C)OC(=O)N1CCN(C(=O)c2cncc(-c3cnc(C4CCCN4)nc3)c2)CC1,JCROBRJHDJGHRF-UHFFFAOYSA-N
-rxn:4:213092:225977,CC(C)(C)OC(=O)N1CCN(c2ccc(C#N)c(-c3cc(Cl)cnc3N3CCOCC3)c2)CC1,OUBJVQVVWDPXRT-UHFFFAOYSA-N
-rxn:4:213093:226844,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)c(C#N)c2)CC1,VIQZPNDFWBYHOO-UHFFFAOYSA-N
-rxn:4:213094:223279,CC(C)(C)OC(=O)N1CCN(c2c(C#N)cccc2-c2cnc(C3CCCN3)nc2)CC1,PVTJSVKQVRXYJD-UHFFFAOYSA-N
-rxn:4:213095:223279,CC(C)(C)OC(=O)N1CCN(c2ccc(C#N)cc2-c2cnc(C3CCCN3)nc2)CC1,PCPSYIUQBRJKMX-UHFFFAOYSA-N
-rxn:4:213096:223179,CONC(=O)c1cc(-c2ccc(C#N)c(N3CCN(C(=O)OC(C)(C)C)CC3)c2)ccc1F,MVSFNVZJWXEQLV-UHFFFAOYSA-N
-rxn:4:213096:223279,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cnc(C4CCCN4)nc3)ccc2C#N)CC1,MRZHYSHLHIOPPN-UHFFFAOYSA-N
-rxn:4:213097:223279,CC(C)(C)OC(=O)N1CCC(C#N)(c2ccc(-c3cnc(C4CCCN4)nc3)cn2)CC1,VWPHTCFLQJCLRR-UHFFFAOYSA-N
-rxn:4:213098:223279,CC(C)(C)OC(=O)N1CCN(c2cc(C#N)cc(-c3cnc(C4CCCN4)nc3)c2)CC1,RCUJZOKPVBKUSA-UHFFFAOYSA-N
-rxn:4:213099:226844,CC(C)(C)OC(=O)N1CCC(n2ncc(-c3ccnc(C(=O)C(F)(F)F)c3)c2C(F)(F)F)CC1,RBCXCESUMLIUQL-UHFFFAOYSA-N
-rxn:4:213100:223179,CONC(=O)c1cc(-c2cn(C3CCN(C(=O)OC(C)(C)C)CC3)nc2C(F)(F)F)ccc1F,UGZTYYKDZASOCA-UHFFFAOYSA-N
-rxn:4:213100:225295,CC(C)(C)OC(=O)N1CCC(n2cc(-c3ccccc3S(=O)(=O)N3CCCC3)c(C(F)(F)F)n2)CC1,KNMYFKXCKKNZNA-UHFFFAOYSA-N
-rxn:4:213104:226844,O=C(CN1C(=O)CCC1=O)N1CCC(Oc2ncccc2-c2ccnc(C(=O)C(F)(F)F)c2)CC1,AVKXQAPOXDQJNS-UHFFFAOYSA-N
-rxn:4:213123:223179,CONC(=O)c1cc(-c2ccccc2CC(=O)N2CCN(c3ccnc(C(F)(F)F)c3)C(=O)C2)ccc1F,QVZVVPWLENGRHS-UHFFFAOYSA-N
-rxn:4:213123:223946,CCN(C(=O)OC(C)(C)C)c1ccc(-c2ccccc2CC(=O)N2CCN(c3ccnc(C(F)(F)F)c3)C(=O)C2)c(Cl)c1,PDQMPOOLGCTANX-UHFFFAOYSA-N
-rxn:4:213123:225988,O=C(Cc1ccccc1-c1c(F)cc(C2OCCO2)cc1F)N1CCN(c2ccnc(C(F)(F)F)c2)C(=O)C1,PUUMQCIAZAKIKA-UHFFFAOYSA-N
-rxn:4:213125:223179,CONC(=O)c1cc(-c2cccc(CN3CCN(C(=O)OC(C)(C)C)CC3)n2)ccc1F,ZGGRQKWJBQNKHA-UHFFFAOYSA-N
-rxn:4:213125:226844,CC(C)(C)OC(=O)N1CCN(Cc2cccc(-c3ccnc(C(=O)C(F)(F)F)c3)n2)CC1,RRPYJSHJRNFAEX-UHFFFAOYSA-N
-rxn:4:213126:222856,COc1ccc(C2CCNCC2)cc1-c1ccc(CN2CCN(C(=O)OC(C)(C)C)CC2)cn1,ZNBKKTGETQOMCB-UHFFFAOYSA-N
-rxn:4:213126:223179,CONC(=O)c1cc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)cn2)ccc1F,BWKLAMWGFJJWOG-UHFFFAOYSA-N
-rxn:4:213128:223179,CONC(=O)c1cc(-c2cn(C3CCCN(C(=O)OC(C)(C)C)C3)c(OC)n2)ccc1F,HCEIGNMJVFSLCA-UHFFFAOYSA-N
-rxn:4:213129:223179,CONC(=O)c1cc(-c2cn(C3CCN(C(=O)OC(C)(C)C)CC3)c(OC)n2)ccc1F,VACPQFQFPFURFQ-UHFFFAOYSA-N
-rxn:4:213130:223179,CONC(=O)c1cc(-c2cncc(CN3CCN(C(=O)OC(C)(C)C)CC3)c2)ccc1F,HJLGVBIYWLYDKY-UHFFFAOYSA-N
-rxn:4:213132:226231,CCCCOc1ncc(-c2cnc(OCC3CCCN(C(=O)C(C)(C)C)C3)nc2)cc1C,DHLQZNHTLGVSRL-UHFFFAOYSA-N
-rxn:4:213132:226844,CC(C)(C)C(=O)N1CCCC(COc2ncc(-c3ccnc(C(=O)C(F)(F)F)c3)cn2)C1,UZPBDUUMHKWDOL-UHFFFAOYSA-N
-rxn:4:213138:223279,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3cnc(C4CCCN4)nc3)cnc2F)CC1,NVVDOPMBTVSHSB-UHFFFAOYSA-N
-rxn:4:213139:223179,CONC(=O)c1cc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c([N+](=O)[O-])c2)ccc1F,WYZGNEARJRUUHZ-UHFFFAOYSA-N
-rxn:4:213140:225741,CCCCOc1c(F)cc(-c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)cc([N+](=O)[O-])c2)cc1Cl,GZEOADLRMUKIJY-UHFFFAOYSA-N
-rxn:4:213143:223279,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cnc(C4CCCN4)nc3)ccc2[N+](=O)[O-])CC1,GARWJYKCTYBNGZ-UHFFFAOYSA-N
-rxn:4:213143:226844,CC(C)(C)OC(=O)N1CCN(c2cc(-c3ccnc(C(=O)C(F)(F)F)c3)ccc2[N+](=O)[O-])CC1,AGIDAMFSZXSESO-UHFFFAOYSA-N
-rxn:4:213150:223279,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(-c3cnc(C4CCCN4)nc3)cn2)CC1,CVFFIWSOHICOKI-UHFFFAOYSA-N
-rxn:4:213151:226844,CC(C)(C)OC(=O)N1CCN(c2cc(-c3ccnc(C(=O)C(F)(F)F)c3)cc(F)c2[N+](=O)[O-])CC1,OIRBOQGKCZHHFK-UHFFFAOYSA-N
-rxn:4:213160:224885,COc1ccccc1S(=O)(=O)N1CCC(Oc2ncc(-c3ccccc3CN3CCC(C)CC3)cn2)CC1,OXPITFBYOHCUHH-UHFFFAOYSA-N
-rxn:4:213163:223179,CONC(=O)c1cc(-c2cnc(OCC3CCN(C(=O)C4CCCC4)CC3)nc2)ccc1F,TXAUNUQXGQEMRO-UHFFFAOYSA-N
-rxn:4:213165:223179,CONC(=O)c1cc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2OC)ccc1F,LPDMYHYETYYOEG-UHFFFAOYSA-N
-rxn:4:213165:223279,COc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1-c1cnc(C2CCCN2)nc1,FXSKQRAUYUDQEP-UHFFFAOYSA-N
-rxn:4:213178:225300,Cc1cc(C(=O)N2CCCC(COc3ncc(-c4ccc(OC5CCOCC5)nc4F)cn3)C2)c(C)o1,YUQSTXLASOHBCH-UHFFFAOYSA-N
-rxn:4:213188:223279,O=C(c1ccccc1-c1cnc(C2CCCN2)nc1)N1CCC(N2CC(=O)N(CC(F)(F)F)C2=O)CC1,IWGOCUVILRUNFP-UHFFFAOYSA-N
-rxn:4:213191:226844,CC(C)(C)OC(=O)N1CCCN(C(=O)c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)nc2)CC1,OTBKOBLMWRENRA-UHFFFAOYSA-N
-rxn:4:213192:223179,CONC(=O)c1cc(-c2cc(C(=O)OC(C)(C)C)cc(N3CCN(C(C)=O)CC3)n2)ccc1F,SLSWDZZEVPGKIY-UHFFFAOYSA-N
-rxn:4:213192:228094,CCCOc1cncc(-c2cc(C(=O)OC(C)(C)C)cc(N3CCN(C(C)=O)CC3)n2)c1,WJSUILDRJRIZEN-UHFFFAOYSA-N
-rxn:4:213195:223179,CONC(=O)c1cc(-c2cnc(OCC3CCN(C(=O)C4CCOCC4)CC3)nc2)ccc1F,MIYZXKGQSXLADC-UHFFFAOYSA-N
-rxn:4:213213:224847,CN(c1cccc(-c2cc(C(C)(C)C)ccc2C(C)(C)C)n1)C1CCN(C(=O)OC(C)(C)C)CC1,NXENNDCULPNILF-UHFFFAOYSA-N
-rxn:4:213213:226844,CN(c1cccc(-c2ccnc(C(=O)C(F)(F)F)c2)n1)C1CCN(C(=O)OC(C)(C)C)CC1,BGESADFITHXGJT-UHFFFAOYSA-N
-rxn:4:213214:223179,CCN1CCN(c2cc(C(=O)OC(C)(C)C)cc(-c3ccc(F)c(C(=O)NOC)c3)n2)CC1,OZQSNUUESPSEPK-UHFFFAOYSA-N
-rxn:4:213217:224403,CCN1CCN(c2ncc(-c3cnc(N4CCOCC4)c(C(F)(F)F)c3)cc2C(=O)OC(C)(C)C)CC1,LZJMSPJTWKVQAC-UHFFFAOYSA-N
-rxn:4:213218:223179,CONC(=O)c1cc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)[C@@H](C)C3)nc2)ccc1F,HYLFJHBYSHOTPD-INIZCTEOSA-N
-rxn:4:213220:223179,CONC(=O)c1cc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)C(C)C3)c([N+](=O)[O-])c2)ccc1F,SCPIVKLSAXJPME-UHFFFAOYSA-N
-rxn:4:213221:226844,CC1CN(C(=O)OC(C)(C)C)CCN1c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1[N+](=O)[O-],VCCVHXOUDUNKJG-UHFFFAOYSA-N
-rxn:4:213228:223279,CC1CN(S(=O)(=O)c2cncc(-c3cnc(C4CCCN4)nc3)c2)CCN1C(=O)OC(C)(C)C,IJPNRLHOHQYOFA-UHFFFAOYSA-N
-rxn:4:213229:223279,CC1CN(c2cc(-c3cnc(C4CCCN4)nc3)cc(F)c2[N+](=O)[O-])CCN1C(=O)OC(C)(C)C,CXHCRBMGNHFKFK-UHFFFAOYSA-N
-rxn:4:213230:226844,CC1CN(C(=O)OC(C)(C)C)CCN1c1cc(-c2ccnc(C(=O)C(F)(F)F)c2)cc(F)c1[N+](=O)[O-],HUZJINHMRQKETJ-UHFFFAOYSA-N
-rxn:4:213237:226844,CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1c1ncc(-c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2)[nH]1,CIDNJGDLOXOERD-IBGZPJMESA-N
-rxn:4:213253:226844,CS(=O)(=O)N1CCC(C(=O)N2CCC(Oc3ccncc3-c3ccnc(C(=O)C(F)(F)F)c3)C2)CC1,CUYBVXNPWHPUEY-UHFFFAOYSA-N
-rxn:4:213258:223279,Cc1nn(CC2CCCN(C(=O)OC(C)(C)C)C2)c(C)c1-c1cnc(C2CCCN2)nc1,YVSBOHZZPCKYEL-UHFFFAOYSA-N
-rxn:4:213259:223029,CC(C)OC(=O)Nc1ccc(-c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)C(C)(C)C3)cn2)cc1,PLTRNGRHASUMCO-UHFFFAOYSA-N
-rxn:4:213259:223279,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3cnc(C4CCCN4)nc3)nc2)CC1(C)C,IVUWSQWSRQFALB-UHFFFAOYSA-N
-rxn:4:213260:226844,O=C(c1cc(-c2cnc(OCC3CCCN(CC4CCS(=O)(=O)CC4)C3)nc2)ccn1)C(F)(F)F,HJDDSTLJPIOVOO-UHFFFAOYSA-N
-rxn:4:213271:223279,COc1ccc(-c2cnc(C3CCCN3)nc2)c(C(=O)N2CCC(N3CC(=O)N(C4CC4)C3=O)CC2)c1,NMSTYZJDOYNOEO-UHFFFAOYSA-N
-rxn:4:213271:224747,COc1ccc(-c2ncc(-c3ccc(OC)cc3C(=O)N3CCC(N4CC(=O)N(C5CC5)C4=O)CC3)c(Cl)n2)cc1,UXVAXIAYFCVCND-UHFFFAOYSA-N
-rxn:4:213279:224820,Cc1ccc(S(=O)(=O)N2N=C(c3ccc(-c4cccc(S(=O)(=O)N5CCOCC5)c4)cc3)CC2c2cccc([N+](=O)[O-])c2)cc1,AJLUFGVMZAFTJD-UHFFFAOYSA-N
-rxn:4:213280:223279,FC(F)(F)CN1CCN(Cc2ccc(-c3cnc(C4CCCN4)nc3)cc2N2CCCCC2)CC1,XIRZANMIQRNDCW-UHFFFAOYSA-N
-rxn:4:213291:222872,COc1cc(C(=O)NC2CC2)ccc1-c1ccc(CC(=O)N2CCC(n3nc(C(C)(C)C)ccc3=O)CC2)cc1,XDBTWLZVTYRQLY-UHFFFAOYSA-N
-rxn:4:213291:223179,CONC(=O)c1cc(-c2ccc(CC(=O)N3CCC(n4nc(C(C)(C)C)ccc4=O)CC3)cc2)ccc1F,LUQHIWTWMAKXOL-UHFFFAOYSA-N
-rxn:4:213338:223179,CONC(=O)c1cc(-c2ccc(N3C(SCC(=O)N(C)C)=NC4CS(=O)(=O)CC43)c(F)c2)ccc1F,VDKCFHMSTHVPHL-UHFFFAOYSA-N
-rxn:4:213353:223179,CONC(=O)c1cc(-c2cnccc2OC2CCN(C(=O)CN3C(=O)c4ccccc4C3=O)C2)ccc1F,PCCNQZHAUNJZOJ-UHFFFAOYSA-N
-rxn:4:213355:223179,CONC(=O)c1cc(-c2ccc3c(C(=O)N4CC(S(=O)(=O)CC(C)C)C4)n(C)nc3c2)ccc1F,GSFQJAGUMGDWQJ-UHFFFAOYSA-N
-rxn:4:213362:223679,CCN1CCN(S(=O)(=O)c2c(C)cc(-c3ccc(-c4ccc(SCC(=O)N5CCCc6ccccc65)nn4)cc3)cc2C)CC1,SJNHBRMVCRDHKD-UHFFFAOYSA-N
-rxn:4:213378:222716,O=C(Cc1cccc2ccccc12)N1CCCC(Oc2ncc(-c3ccc(S(=O)(=O)NC4CCCC4)c(F)c3)cn2)C1,BSNXDUZZPHYDSZ-UHFFFAOYSA-N
-rxn:4:213387:223179,CONC(=O)c1cc(-c2ccc3c(c2)ncn3CC2CCN(C(=O)OC(C)(C)C)CC2)ccc1F,DTLIWIYBDHDTIJ-UHFFFAOYSA-N
-rxn:4:213387:226844,CC(C)(C)OC(=O)N1CCC(Cn2cnc3cc(-c4ccnc(C(=O)C(F)(F)F)c4)ccc32)CC1,UMSVGGCRTOAEKL-UHFFFAOYSA-N
-rxn:4:213388:223179,CONC(=O)c1cc(-c2ccnc3c2ccn3CC2CCN(C(=O)OC(C)(C)C)CC2)ccc1F,IVTHIYFPQMOMEI-UHFFFAOYSA-N
-rxn:4:213395:225338,O=C(Cn1ccc2ccc(-c3ccc(F)c(COCC(F)(F)F)c3)cc21)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1,XUYCWXFCJYDBMG-UHFFFAOYSA-N
-rxn:4:213412:227337,CC(C)CS(=O)(=O)C1CCN(C(=O)c2c3ccc(-c4cc(F)ccc4OC(C)C)cc3nn2C)CC1,VFCVJQBCSINMKG-UHFFFAOYSA-N
-rxn:4:213412:227345,CC(C)CS(=O)(=O)C1CCN(C(=O)c2c3ccc(-c4ccc(OC(C)C)cc4F)cc3nn2C)CC1,LTNJMHBIJALJFC-UHFFFAOYSA-N
-rxn:4:213412:227994,CC(C)CS(=O)(=O)C1CCN(C(=O)c2c3ccc(-c4cc(C(C)C)ccc4Cl)cc3nn2C)CC1,PCOCEVTXFIARKC-UHFFFAOYSA-N
-rxn:4:213413:223179,CONC(=O)c1cc(-c2ccc3[nH]c(C(=O)N4CCN(C(=O)OC(C)(C)C)C(C)C4)cc3c2)ccc1F,GSPISPHYNMRJMK-UHFFFAOYSA-N
-rxn:4:213414:223279,CC1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1cc2cc(-c3cnc(C4CCCN4)nc3)ccc2[nH]1,ZBZXFRCHBHUSHH-UHFFFAOYSA-N
-rxn:4:213414:226844,CC1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1cc2cc(-c3ccnc(C(=O)C(F)(F)F)c3)ccc2[nH]1,IRAQSSSDYZEKMX-UHFFFAOYSA-N
-rxn:4:213415:226844,O=C(CSc1nc2c(c(=O)n1-c1ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc1)SCC2)N1CCCCCC1,DUZKRPDPCGCNJL-UHFFFAOYSA-N
-rxn:4:213416:223179,CONC(=O)c1cc(-c2ccc(-n3c(SCC(=O)N4CCC(C)CC4)nc4c(c3=O)SCC4)cc2)ccc1F,PBJIUTBKEJFSCF-UHFFFAOYSA-N
-rxn:4:213444:226844,O=C(Cc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1)N1CCC(Cn2nc3c(cc2=O)CCCC3)CC1,OVGIMPHNECMHMS-UHFFFAOYSA-N
-rxn:4:213459:224061,CCCC1CCC(c2ccc(-c3ccc4c(c3)C(c3ccccn3)=C[C@@H](CCC(=O)OC)c3ncc(C)n3-4)c(F)c2)CC1,ZBTGBQXAOLUTMY-YITPRAEKSA-N
-rxn:4:213469:223179,CONC(=O)c1cc(-c2ccc([C@@H]3[C@@H](C(=O)C(C)(C)C)N4c5ccccc5C=C[C@@H]4C3(C#N)C#N)c(F)c2)ccc1F,XNVNTGYFQQTVPP-NLDZOOGBSA-N
-rxn:4:213469:223279,CC(C)(C)C(=O)[C@@H]1[C@@H](c2ccc(-c3cnc(C4CCCN4)nc3)cc2F)C(C#N)(C#N)[C@H]2C=Cc3ccccc3N12,WYOLQNSLOJVWFN-JTPKJYJDSA-N
-rxn:4:213469:226844,CC(C)(C)C(=O)[C@@H]1[C@@H](c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2F)C(C#N)(C#N)[C@H]2C=Cc3ccccc3N12,QAXIKWSDODDOBQ-PFBJBMPXSA-N
-rxn:4:213471:223179,CONC(=O)c1cc(-c2ccc(S(=O)(=O)N3CCN(CCN4C(=O)C5C6C=CC(C6)C5C4=O)CC3)cc2)ccc1F,SNNYPHSGJAEAPK-UHFFFAOYSA-N
-rxn:4:213472:223279,O=C(c1ccccc1-c1cnc(C2CCCN2)nc1)N1CCN(CCN2C(=O)c3cccc4cccc(c34)C2=O)CC1,FZOAGRPJLKHXSY-UHFFFAOYSA-N
-rxn:4:213474:226844,CC(C)(C)OC(=O)N1CC2(CC2)C[C@H]1c1ncc(-c2ccc3c(c2)C(F)(F)c2cc(-c4ccnc(C(=O)C(F)(F)F)c4)ccc2-3)[nH]1,HXKNFDKYAZCMSN-MHZLTWQESA-N
-rxn:4:213474:228878,CC(C)(C)OC(=O)N1CC2(CC2)C[C@H]1c1ncc(-c2ccc3c(c2)C(F)(F)c2cc(-c4cnn(C5COC5)c4)ccc2-3)[nH]1,HBKVLFRWEOYQID-NDEPHWFRSA-N
-rxn:4:213475:223179,CONC(=O)c1cc(-c2ccc([C@@H]3c4ccc5c(cnn5C5CCCCCO5)c4C[C@@H](C)N3CC(F)(F)F)c(OC)c2)ccc1F,SGVGDXJDIJLIJU-CKUKIEHJSA-N
-rxn:4:213475:223279,COc1cc(-c2cnc(C3CCCN3)nc2)ccc1[C@@H]1c2ccc3c(cnn3C3CCCCCO3)c2C[C@@H](C)N1CC(F)(F)F,XPCOJXVIXXQYNR-UOFYHEFLSA-N
-rxn:4:213476:223179,CONC(=O)c1cc(-c2cccc([C@@H]3[C@@H](C(=O)C45CC6CC(CC(C6)C4)C5)N4c5ccccc5C=C[C@@H]4C3(C#N)C#N)c2)ccc1F,XGWMNXJNPQBTBK-SPXQIJKVSA-N
-rxn:4:213476:224520,N#CC1(C#N)[C@H](c2cccc(-c3ccccc3COc3ccccc3Cl)c2)[C@@H](C(=O)C23CC4CC(CC(C4)C2)C3)N2c3ccccc3C=C[C@@H]21,YIKYMCSZXXKFMT-XCGTYICESA-N
-rxn:4:213476:225863,N#CC1(C#N)[C@H](c2cccc(-c3cnc(Cl)c(-c4ccncc4)c3)c2)[C@@H](C(=O)C23CC4CC(CC(C4)C2)C3)N2c3ccccc3C=C[C@@H]21,MPSOUNXXUITBKR-BDROYZEVSA-N
-rxn:4:213476:226844,N#CC1(C#N)[C@H](c2cccc(-c3ccnc(C(=O)C(F)(F)F)c3)c2)[C@@H](C(=O)C23CC4CC(CC(C4)C2)C3)N2c3ccccc3C=C[C@@H]21,BEPJWHCBXVPOES-PCXIPRFYSA-N
-rxn:4:213529:223592,CN(C)CCCn1cc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2Cl)cn1,KBBJCJBDOROYMO-UHFFFAOYSA-N
-rxn:4:213665:222656,CCOC(=O)N1CCN(c2ncccc2-c2ccc(C(=O)NC3CCCCC3)c(F)c2)CC1,FCBMBVSXBHBAGN-UHFFFAOYSA-N
-rxn:4:213680:223179,CONC(=O)c1cc(-c2cc(N3CCN(CC(F)(F)F)CC3)c([N+](=O)[O-])cc2F)ccc1F,SNOSQNOROFUSKK-UHFFFAOYSA-N
-rxn:4:213690:224609,CC(C)N(C(=O)c1ccncc1-c1cnc(OC2CCN(C(=O)C3CCC3)C2)nc1)C(C)C,WQENVTGREDINRY-UHFFFAOYSA-N
-rxn:4:213753:224571,CC(C)N1CCN(c2ccc(-c3cnn(CC4CN(CC5CCCC5)C4)c3)cc2)CC1,LZEJWHGACJFGOD-UHFFFAOYSA-N
-rxn:4:213756:224746,CC(=O)N1CCN(c2ccc(-c3cnc(N4CCN(C(=O)OC(C)(C)C)CC4)s3)cn2)CC1,MMTRKTCSERFOKB-UHFFFAOYSA-N
-rxn:4:213757:225363,CN(C)S(=O)(=O)N1CCC(Cc2cccc(-c3ccc(C(=O)N4CC(F)(F)C4)nc3)n2)C1,INFDDGCPQZUXGM-UHFFFAOYSA-N
-rxn:4:213764:223593,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(C4CCN(C(=O)OC(C)(C)C)C4)cn3)cc2Cl)CC1,QLTHFHPIGONVLJ-UHFFFAOYSA-N
-rxn:4:213765:224171,CC(C)(C)OC(=O)N1CCC(c2cncc(-c3ccc(OCCCN4CCCC4)c(F)c3)n2)C1,XYMKOSHNZLKQMD-UHFFFAOYSA-N
-rxn:4:213800:224772,CC(C)(C)OC(=O)N1CCOCC1c1cc(-c2ccc(C(=O)N3CCOCC3)cc2Cl)ncn1,SBOCXZUPUFKNOS-UHFFFAOYSA-N
-rxn:4:213800:225975,CC(C)(C)OC(=O)N1CCOCC1c1cc(-c2ccnc(N3CCOCC3)c2Cl)ncn1,WJLRXGXNZVMXEO-UHFFFAOYSA-N
-rxn:4:213801:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cncc(C4CN(C(=O)OC(C)(C)C)CCO4)n3)c(F)c2)CC1,IMWVJSPCZXXEFZ-TUNMPCEVSA-N
-rxn:4:213803:225875,CC(C)(C)OC(=O)N1CCOCC1c1ncc(-c2ccc(N3CCOCC3)cc2Cl)cn1,DHXBFOHGVVGHET-UHFFFAOYSA-N
-rxn:4:213816:223748,O=C(c1cccc(-c2cc(N3CCCCC3)cc(N3CCCCC3)c2)c1)N1CCCC(Oc2ncccn2)C1,FITIHJZDWLNCIY-UHFFFAOYSA-N
-rxn:4:213835:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2ccnn2C2CCN(C(=O)OC(C)(C)C)CC2)cc1,ODEOEKJPZBAVKI-UHFFFAOYSA-N
-rxn:4:213846:226844,CN(C)S(=O)(=O)N1CCN(C(=O)c2cccc(-c3ccnc(C(=O)C(F)(F)F)c3)c2)CC1,ARCMFKORESSHIZ-UHFFFAOYSA-N
-rxn:4:213849:226231,CCCCOc1ncc(-c2cnc(OC3CCN(C(=O)C4CCCO4)CC3)nc2)cc1C,FIFVGCDCNTUZFS-UHFFFAOYSA-N
-rxn:4:213883:223525,Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)sc1-c1cccc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1,FEFVAHWWIZIJHL-UHFFFAOYSA-N
-rxn:4:213900:225383,CC(C)(C)OC(=O)N1CCCC(c2ncc(-c3c(C(F)(F)F)cccc3C(F)(F)F)cn2)C1,VXFUITZTWVLXPL-UHFFFAOYSA-N
-rxn:4:213931:223279,O=C(C1CN(c2ncc(C(F)(F)F)cc2-c2cnc(C3CCCN3)nc2)CCO1)N1CCCC1,HZEGIJDFFARHHE-UHFFFAOYSA-N
-rxn:4:213931:226844,O=C(C1CN(c2ncc(C(F)(F)F)cc2-c2ccnc(C(=O)C(F)(F)F)c2)CCO1)N1CCCC1,HXAKUQVVXGSZQN-UHFFFAOYSA-N
-rxn:4:213932:223179,CONC(=O)c1cc(-c2cnc(N3CCOC(C(=O)N4CCCC4)C3)c(C(F)(F)F)c2)ccc1F,GKZKEOMHEJDBPE-UHFFFAOYSA-N
-rxn:4:213932:223279,O=C(C1CN(c2ncc(-c3cnc(C4CCCN4)nc3)cc2C(F)(F)F)CCO1)N1CCCC1,OFMHGSOKXBGERH-UHFFFAOYSA-N
-rxn:4:213933:223279,O=S(=O)(C1CC1)N1CCCN(c2ncc(C(F)(F)F)cc2-c2cnc(C3CCCN3)nc2)CC1,NSJQSMWFPJFYNO-UHFFFAOYSA-N
-rxn:4:213933:226844,O=C(c1cc(-c2cc(C(F)(F)F)cnc2N2CCCN(S(=O)(=O)C3CC3)CC2)ccn1)C(F)(F)F,NXGVGJLWGNXUPX-UHFFFAOYSA-N
-rxn:4:213942:223179,CONC(=O)c1cc(-c2cn(C3CCN(C(=O)OC(C)(C)C)CC3)nc2C)ccc1F,VKNIKGACGQHDSZ-UHFFFAOYSA-N
-rxn:4:213947:223179,CONC(=O)c1cc(-c2ccn(C3CCN(C(=O)OC(C)(C)C)CC3C)n2)ccc1F,OZHJCEJLANQJAK-UHFFFAOYSA-N
-rxn:4:213950:223279,O=S(=O)(C1CCCCC1)N1CCC(Oc2ncc(-c3cnc(C4CCCN4)nc3)cn2)C1,CGZXYEPWBACPCU-UHFFFAOYSA-N
-rxn:4:213950:225326,CCOC(=O)c1ccc(-c2cnc(OC3CCN(S(=O)(=O)C4CCCCC4)C3)nc2)c([N+](=O)[O-])c1,VHHQAFPIRXVXTC-UHFFFAOYSA-N
-rxn:4:213954:224175,COc1ccc(C(=O)OCC(C)(C)C)c(-c2cnccc2OC2CCN(C3CCN(C4CC4)C3=O)C2)c1,NQKLBCSFFJMOGY-UHFFFAOYSA-N
-rxn:4:213969:223279,O=C(c1ccc(-c2cnc(C3CCCN3)nc2)o1)N1CCC(N2CC(=O)N(C3CC3)C2=O)CC1,RWHVYOJQCCDIBP-UHFFFAOYSA-N
-rxn:4:213971:226844,O=C(C1CN(c2ncc(C(F)(F)F)cc2-c2ccnc(C(=O)C(F)(F)F)c2)CCO1)N1CCOCC1,SFJNMIGVXTVOOH-UHFFFAOYSA-N
-rxn:4:213976:223179,CONC(=O)c1cc(-c2cccc(N3CCN(C(=O)OC(C)(C)C)C(C)C3)n2)ccc1F,FOPFPVXEAREMOQ-UHFFFAOYSA-N
-rxn:4:213977:223179,CONC(=O)c1cc(-c2cccc(N3CCN(C(=O)OC(C)(C)C)CC3C)n2)ccc1F,AORPCKIPELUUFW-UHFFFAOYSA-N
-rxn:4:213977:224485,CC1CN(C(=O)OC(C)(C)C)CCN1c1cccc(-c2ccn([Si](C(C)C)(C(C)C)C(C)C)c2)n1,NCRYNJICAGQDFZ-UHFFFAOYSA-N
-rxn:4:213977:226844,CC1CN(C(=O)OC(C)(C)C)CCN1c1cccc(-c2ccnc(C(=O)C(F)(F)F)c2)n1,LBIWGYLWHHQJJU-UHFFFAOYSA-N
-rxn:4:213980:223179,CONC(=O)c1cc(-c2ccnc(C3CCN(C(=O)OC(C)(C)C)CC3C)n2)ccc1F,ZKTJQWOQOCZXST-UHFFFAOYSA-N
-rxn:4:213981:223179,CONC(=O)c1cc(-c2nccc(C3CCN(C(=O)OC(C)(C)C)CC3C)n2)ccc1F,CSNDGSRXXWGFGG-UHFFFAOYSA-N
-rxn:4:213982:226844,CC1CN(C(=O)OC(C)(C)C)CCC1c1cc(-c2ccnc(C(=O)C(F)(F)F)c2)ncn1,LCVPKLDLRDCPQE-UHFFFAOYSA-N
-rxn:4:213983:226844,CC1CN(C(=O)OC(C)(C)C)CCC1c1cnc(-c2ccnc(C(=O)C(F)(F)F)c2)cn1,UVFDDRQFMGVRDL-UHFFFAOYSA-N
-rxn:4:213985:223634,CCN(Cc1ccccc1)C(=O)c1cc(-c2cc(C)cnc2N2CCN(C(=O)OC(C)(C)C)CC2)ccc1F,MFMLLLOSJCPFMO-UHFFFAOYSA-N
-rxn:4:213986:223179,CONC(=O)c1cc(-c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)c(C)c2)ccc1F,JFTDMGDTLOWYFX-UHFFFAOYSA-N
-rxn:4:213996:223179,CONC(=O)c1cc(-c2cnccc2N2CCN(C(=O)OC(C)(C)C)CC2C)ccc1F,RHKDXLSTIRPGNX-UHFFFAOYSA-N
-rxn:4:214000:223279,CC1CN(C(=O)OC(C)(C)C)CCN1c1ncc(-c2cnc(C3CCCN3)nc2)cc1F,KJAITLICOUAWLQ-UHFFFAOYSA-N
-rxn:4:214001:226844,CC1CN(c2ncc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2F)CCN1C(=O)OC(C)(C)C,YRLQVNLHJMCUFN-UHFFFAOYSA-N
-rxn:4:214003:223279,CN1CC(C(=O)N2CCC(Oc3ncccc3-c3cnc(C4CCCN4)nc3)CC2)CC1=O,AAQNDWUEMXWLLN-UHFFFAOYSA-N
-rxn:4:214003:226844,CN1CC(C(=O)N2CCC(Oc3ncccc3-c3ccnc(C(=O)C(F)(F)F)c3)CC2)CC1=O,KMQIBNKNQCGVSJ-UHFFFAOYSA-N
-rxn:4:214011:224771,Cc1ccc(-c2ccc(S(=O)(=O)n3nc(C)c(S(=O)(=O)N4CCCC4)c3C)cc2)cc1S(=O)(=O)N1CCCC1,DFSQXIHQWYRVSV-UHFFFAOYSA-N
-rxn:4:214014:225990,CCCCn1nc(C(F)(F)F)cc1-c1cncc(C(=O)N2CCCSCC2CN2CCCC2)c1,OOHBBNLEVTWRJI-UHFFFAOYSA-N
-rxn:4:214015:226844,N#CC1CCN(Cc2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2N2CCOCC2)CC1,PGYIKUHOBLPCIS-UHFFFAOYSA-N
-rxn:4:214024:223279,O=C(C1CCC(F)(F)CC1)N1CCC(Oc2ncc(-c3cnc(C4CCCN4)nc3)cn2)CC1,HGHLZLXVKAUBEL-UHFFFAOYSA-N
-rxn:4:214025:224423,CCC[C@H]1CC[C@H](c2ccc(-c3ccccc3S(=O)(=O)N3CCC(N(C)c4ccccn4)CC3)cc2)CC1,IJGXZMCTQUCJCM-DIVCQZSQSA-N
-rxn:4:214026:223179,CONC(=O)c1cc(-c2cc(C(F)(F)F)cnc2N2CCCC(C(=O)N3CCOCC3)C2)ccc1F,CMYKLIHJYFDBDB-UHFFFAOYSA-N
-rxn:4:214026:226844,O=C(C1CCCN(c2ncc(C(F)(F)F)cc2-c2ccnc(C(=O)C(F)(F)F)c2)C1)N1CCOCC1,NNLGSIDRGCVHQP-UHFFFAOYSA-N
-rxn:4:214028:223179,CONC(=O)c1cc(-c2cc(C(F)(F)F)cnc2N2CCOC(C(=O)N3CCCCC3)C2)ccc1F,UUYQXWQIBQGMIM-UHFFFAOYSA-N
-rxn:4:214029:223279,O=C(C1CCCN(c2ncc(-c3cnc(C4CCCN4)nc3)cc2C(F)(F)F)C1)N1CCSCC1,VEEPLGDAIXOZEQ-UHFFFAOYSA-N
-rxn:4:214029:226844,O=C(C1CCCN(c2ncc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2C(F)(F)F)C1)N1CCSCC1,YEOFWDITJQCOMI-UHFFFAOYSA-N
-rxn:4:214029:227480,CCCOc1nccc(-c2cnc(N3CCCC(C(=O)N4CCSCC4)C3)c(C(F)(F)F)c2)c1Cl,OIFZHYBDKBIDQW-UHFFFAOYSA-N
-rxn:4:214046:223179,CONC(=O)c1cc(-c2ccc(N3C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@@H]3C)nc2)ccc1F,CHAYDBSSFDZHSA-JKSUJKDBSA-N
-rxn:4:214047:223098,CC(=O)NS(=O)(=O)c1ccc(-c2cnc(N3CCN(C(=O)OC(C)(C)C)C(C)C3)cc2C)cc1,UDCHHHDSVAPPHH-UHFFFAOYSA-N
-rxn:4:214049:223279,N#CC1CCN(Cc2ccc(-c3cnc(C4CCCN4)nc3)cc2N2CCCCC2)CC1,IYOTYWSXBMZZSF-UHFFFAOYSA-N
-rxn:4:214050:226844,C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)CN1c1ncc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1F,DMMFOXBAMFOURY-KGLIPLIRSA-N
-rxn:4:214051:223179,CONC(=O)c1cc(-c2nc(C(=O)N3CCN(C4CCS(=O)(=O)C4)CC3)c(C(C)C)s2)ccc1F,SKJNPMFOXLGMCH-UHFFFAOYSA-N
-rxn:4:214054:223279,O=C1CN(C2CCN(S(=O)(=O)c3ccccc3-c3cnc(C4CCCN4)nc3)CC2)C(=O)N1C1CC1,KSWAZUBZZAIWIW-UHFFFAOYSA-N
-rxn:4:214056:223179,CONC(=O)c1cc(-c2ccccc2-c2ccc(C=C3SC(N4CCN(C(C)=O)CC4)=NC3=O)o2)ccc1F,OJHTZLCBCFZJAK-UHFFFAOYSA-N
-rxn:4:214057:223179,CCN1CCN(Cc2ccc(-c3ccc(F)c(C(=O)NOC)c3)cc2N2CCCC2)CC1,VFKATZHGYVULNI-UHFFFAOYSA-N
-rxn:4:214058:223279,COC1CCN(C2CCN(C(=O)c3cncc(-c4cnc(C5CCCN5)nc4)c3)CC2)CC1,RPISUNGIHNLSMF-UHFFFAOYSA-N
-rxn:4:214059:223279,CC(C)(C)OC(=O)N1CC2(CCN(c3ccc(-c4cnc(C5CCCN5)nc4)cn3)CC2)C1,KJGYBISFHSIKGT-UHFFFAOYSA-N
-rxn:4:214062:223279,CCN1CCN(Cc2ccc(-c3cnc(C4CCCN4)nc3)cc2N2CCOCC2)CC1,SQJPURADXKMAPB-UHFFFAOYSA-N
-rxn:4:214062:226844,CCN1CCN(Cc2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2N2CCOCC2)CC1,YRQICONTGHJUMJ-UHFFFAOYSA-N
-rxn:4:214065:223179,CONC(=O)c1cc(-c2ccc(C(=O)n3nc(C)c(S(=O)(=O)N4CCC(C)CC4)c3C)cc2)ccc1F,OHACENTUJTWTDR-UHFFFAOYSA-N
-rxn:4:214066:223179,CONC(=O)c1cc(-c2cccc(N3C(=O)CC(N4CCN(C(=O)c5ccccc5)CC4)C3=O)c2)ccc1F,AXFCFBNRJREUHV-UHFFFAOYSA-N
-rxn:4:214070:223179,CONC(=O)c1cc(-c2ccccc2C(=O)N2CCC(N3CC(=O)N(c4ccccc4)C3=O)CC2)ccc1F,YUXFYOUMLWVVMZ-UHFFFAOYSA-N
-rxn:4:214070:226844,O=C(c1ccccc1-c1ccnc(C(=O)C(F)(F)F)c1)N1CCC(N2CC(=O)N(c3ccccc3)C2=O)CC1,BVUVUPJREFNGKH-UHFFFAOYSA-N
-rxn:4:214074:223279,Cc1nn(S(=O)(=O)c2ccc(-c3cnc(C4CCCN4)nc3)cc2)c(C)c1S(=O)(=O)N1CCCC(C)C1,SUBTTYSPRCBJPF-UHFFFAOYSA-N
-rxn:4:214074:226382,Cc1nn(S(=O)(=O)c2ccc(-c3cnc(C4CCCCC4)nc3)cc2)c(C)c1S(=O)(=O)N1CCCC(C)C1,AKYQAVRPWZXHLL-UHFFFAOYSA-N
-rxn:4:214081:223179,CONC(=O)c1cc(-c2ccc(C3=NC4(CCCCCC4)N(C(=O)c4ccc(Cl)c([N+](=O)[O-])c4)C3=S)cc2)ccc1F,OPWYHQNPMGFYEI-UHFFFAOYSA-N
-rxn:4:214081:226844,O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1C(=S)C(c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2)=NC12CCCCCC2,MGSNHGMBXQRMMP-UHFFFAOYSA-N
-rxn:4:214083:224009,COc1ccc(-c2ccccc2-c2noc(C3CCN(S(=O)(=O)c4ccc(C)c(C)c4)CC3)n2)cc1S(=O)(=O)N1CCOCC1,NUZFKKBRSFRXMK-UHFFFAOYSA-N
-rxn:4:214085:223179,CONC(=O)c1cc(-c2ccc(C=C3N=C(C4CCCCC4)N(c4cc([N+](=O)[O-])ccc4C)C3=O)cc2)ccc1F,XMCVXRFMBGWWHH-UHFFFAOYSA-N
-rxn:4:214086:226844,CC(C)N1CCN(Cc2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2N2CCCCC2)CC1,RRKNMSDYGTZVEM-UHFFFAOYSA-N
-rxn:4:214185:223279,CC(C)(C)OC(=O)N1CCCn2nc(C(F)(F)F)c(-c3cnc(C4CCCN4)nc3)c2C1,ZFKQNAWTLASLFK-UHFFFAOYSA-N
-rxn:4:214256:223179,CONC(=O)c1cc(-c2nn(C3CCOC3)c3c2CN(C(=O)OC(C)(C)C)CC3)ccc1F,HXHDIVWADYTVAD-UHFFFAOYSA-N
-rxn:4:214256:223279,CC(C)(C)OC(=O)N1CCc2c(c(-c3cnc(C4CCCN4)nc3)nn2C2CCOC2)C1,RVSIIBXBXXWIQH-UHFFFAOYSA-N
-rxn:4:214257:223712,COc1ccc(-c2ccc(N3C4CCC3CN(C(=O)OC(C)(C)C)C4)nc2)cc1C12CC3CC(CC(C3)C1)C2,GMJGWIHEPZWLOG-UHFFFAOYSA-N
-rxn:4:214270:223974,CC1CCN(c2ccc(-c3cncc(C(=O)N4CCC(Oc5cccc6cccnc56)CC4)c3)c(C(F)(F)F)c2)CC1,HYILBLMYOBXEGY-UHFFFAOYSA-N
-rxn:4:214273:224719,CC(C)c1nn(C(=O)OC(C)(C)C)cc1-c1ccc2ncn(C3CCN(C(=O)OC(C)(C)C)CC3)c2c1,JBEHFRGECWWYIW-UHFFFAOYSA-N
-rxn:4:214277:223179,CONC(=O)c1cc(-c2cc3c(cnn3C3CCN(C(=O)OC(C)(C)C)CC3)cc2F)ccc1F,PSROOYALZBWZMM-UHFFFAOYSA-N
-rxn:4:214292:226844,CC(C)(C)OC(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1c1nc2cc(-c3ccnc(C(=O)C(F)(F)F)c3)ccc2[nH]1,CQSBRVIWWYRICW-YRNRMSPPSA-N
-rxn:4:214293:224486,Cc1cccc(C)c1-n1nc2c(c1-c1cccc(C(=O)N(C(C)C)C(C)C)c1)CN(C(=O)OC(C)(C)C)C2,VXGFUCBOSSGSAW-UHFFFAOYSA-N
-rxn:4:214304:223179,CONC(=O)c1cc(-c2nn(C3CCOCC3)c3c2CN(C(=O)OC(C)(C)C)CC3)ccc1F,OLJOJIITRRWIHH-UHFFFAOYSA-N
-rxn:4:214304:223279,CC(C)(C)OC(=O)N1CCc2c(c(-c3cnc(C4CCCN4)nc3)nn2C2CCOCC2)C1,PMFGFBSHRBOYNC-UHFFFAOYSA-N
-rxn:4:214320:226844,CC(C)(C)OC(=O)N1CCCC(n2cnc3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc32)CC1,YWNJYIOJRQOJKI-UHFFFAOYSA-N
-rxn:4:214321:223179,CONC(=O)c1cc(-c2ccc3c(c2)ncn3C2CCCN(C(=O)OC(C)(C)C)CC2)ccc1F,VJWQQKGLVBPYDM-UHFFFAOYSA-N
-rxn:4:214321:226844,CC(C)(C)OC(=O)N1CCCC(n2cnc3cc(-c4ccnc(C(=O)C(F)(F)F)c4)ccc32)CC1,GMXOUMRJSVXJGE-UHFFFAOYSA-N
-rxn:4:214323:223279,O=C(Cn1ccc2ccc(-c3cnc(C4CCCN4)nc3)cc21)N1CCN(C2CCS(=O)(=O)C2)CC1,NCGRVUBQOVQOHL-UHFFFAOYSA-N
-rxn:4:214323:225999,COC(=O)c1ccc(-c2ccc3ccn(CC(=O)N4CCN(C5CCS(=O)(=O)C5)CC4)c3c2)c([N+](=O)[O-])c1,CDOXKJJKNXLIDK-UHFFFAOYSA-N
-rxn:4:214335:223179,CONC(=O)c1cc(-c2ccccc2CN2CCC(N(C)C3=NS(=O)(=O)c4ccccc43)CC2)ccc1F,BECHBZYXIORWNN-UHFFFAOYSA-N
-rxn:4:214337:223179,CONC(=O)c1cc(-c2cccc(CN3CCC(N(C)C4=NS(=O)(=O)c5ccccc54)CC3)c2)ccc1F,AWEZSJPTYLNIKU-UHFFFAOYSA-N
-rxn:4:214353:226844,CC(C)(C)[Si](C)(C)O[C@H]1CC[C@H](n2cc(-c3ccnc(C(=O)C(F)(F)F)c3)c3cnc(Cl)nc32)CC1,JQOZJXUGZDVXLV-QAQDUYKDSA-N
-rxn:4:214356:223895,CCN1CCN(CCOc2ccc(-c3cccc(C4CC(c5c(C)nc6ccc(Cl)cc6c5-c5ccccc5)=NN4C(C)=O)c3)cc2)CC1,CKGVGGZYUHFANI-UHFFFAOYSA-N
-rxn:4:214360:223179,CONC(=O)c1cc(-c2ccc3c(c2)sc(=NC(=O)c2ccc(S(=O)(=O)N4CC(C)CC(C)C4)cc2)n3C)ccc1F,JGXCIWTVRLLSLC-UHFFFAOYSA-N
-rxn:4:214360:223279,CC1CC(C)CN(S(=O)(=O)c2ccc(C(=O)N=c3sc4cc(-c5cnc(C6CCCN6)nc5)ccc4n3C)cc2)C1,BZSDDFZKFMPXHB-UHFFFAOYSA-N
-rxn:4:214360:226844,CC1CC(C)CN(S(=O)(=O)c2ccc(C(=O)N=c3sc4cc(-c5ccnc(C(=O)C(F)(F)F)c5)ccc4n3C)cc2)C1,UYSFHALRZQVAML-UHFFFAOYSA-N
-rxn:4:214390:226844,CCOc1ccc(C2=NN3C(C2)c2cc(-c4ccnc(C(=O)C(F)(F)F)c4)ccc2OC32CCN(C(C)=O)CC2)cc1,MUPRQFFSYLGUSM-UHFFFAOYSA-N
-rxn:4:214391:223179,CONC(=O)c1cc(-c2ccc3c(c2)C2CC(c4ccc(OC)cc4)=NN2C2(CCN(Cc4ccccc4)CC2)O3)ccc1F,RECUGMOTSVDRSL-UHFFFAOYSA-N
-rxn:4:214628:223689,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(C(=O)N4CCN(c5nccs5)C(=O)C4)o3)ccc2OC)CC1,LGXJQYNBIJYKHA-UHFFFAOYSA-N
-rxn:4:214650:223481,CN1CCCC(COc2ncc(-c3ccc(S(=O)(=O)N4CCC(O[Si](C)(C)C(C)(C)C)CC4)cc3F)cn2)C1,IRJPHQBHSMRRCN-UHFFFAOYSA-N
-rxn:4:214653:223602,COC1CCN(c2ncc(-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3Cl)cc2[N+](=O)[O-])CC1,BRNOYJVQRPBDLN-UHFFFAOYSA-N
-rxn:4:214662:223787,CN1CCN(CCCOc2ccc(-c3c(C(=O)N4CCC(C(F)(F)F)CC4)cnn3C)cc2F)CC1,SPGBTJFSLFHPAX-UHFFFAOYSA-N
-rxn:4:214703:222817,COc1ccc(S(=O)(=O)NC2CC2)cc1-c1cc(CN2CCN(C)CC2)cc([N+](=O)[O-])c1,DCSIVJCTMUMZOP-UHFFFAOYSA-N
-rxn:4:214708:224571,CC(C)N1CCN(c2ccc(-c3cnc(OC4CCN(C5COC5)CC4)nc3)cc2)CC1,GYQAUNMPLMWKOV-UHFFFAOYSA-N
-rxn:4:214771:223649,CN(C)C1CCN(c2ccc([N+](=O)[O-])cc2-c2cccc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)CC1,ZATFLEYWECWFSQ-UHFFFAOYSA-N
-rxn:4:214772:225277,COC(=O)c1c(OC)cc(-c2cnc(CC3CCCN(S(C)(=O)=O)CC3)cn2)cc1OC,YUFJOOYKLHBLDJ-UHFFFAOYSA-N
-rxn:4:214805:223023,CN(C)C(=O)NCc1ccc(-c2ccc(N3CCCN(S(=O)(=O)C4CC4)CC3)nc2)cc1,GSVBGFQMOOFEQK-UHFFFAOYSA-N
-rxn:4:214819:226844,O=C(C1CN(c2ncc(Cl)cc2-c2ccnc(C(=O)C(F)(F)F)c2)CCO1)N1CCCC1,DUFFOLCSZQKAEQ-UHFFFAOYSA-N
-rxn:4:214829:222546,O=C(C1CN(c2ncccc2-c2ccc(OCCNC3CCCCC3)c(F)c2)CCO1)N1CCSCC1,FOGZLNRPTLEFFK-UHFFFAOYSA-N
-rxn:4:214829:226039,CCc1nn(S(=O)(=O)N(C)C)cc1-c1cccnc1N1CCOC(C(=O)N2CCSCC2)C1,XDBCVMAXSYCUHP-UHFFFAOYSA-N
-rxn:4:214835:226844,O=C(C1CN(c2ncc(Cl)cc2-c2ccnc(C(=O)C(F)(F)F)c2)CCO1)N1CCOCC1,CRBZZQPIQKDBAS-UHFFFAOYSA-N
-rxn:4:214836:222546,O=C(C1CN(c2ncc(Cl)cc2-c2ccc(OCCNC3CCCCC3)c(F)c2)CCO1)N1CCSCC1,XCCIJHIWFUNABS-UHFFFAOYSA-N
-rxn:4:214837:222634,O=C(C1CN(c2ncc(-c3ccc(OCCNC4CCCC4)c(F)c3)cc2Cl)CCO1)N1CCSCC1,WBIFKJHDNWVNFM-UHFFFAOYSA-N
-rxn:4:214838:227252,CCCOc1cc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)c(F)c2)ccc1Cl,CMXGUGBQWDSZIU-UHFFFAOYSA-N
-rxn:4:214839:226232,CN(C)CCOc1cccc(-c2cnc(N3CCOC(C(=O)N4CCSCC4)C3)c(F)c2)c1,SOPRIFKLOTUDCV-UHFFFAOYSA-N
-rxn:4:214851:223975,CC(C)(C)OC(=O)n1cc(-c2cncc(C(=O)N3CCCN(C4CCC4)CC3)c2)c2nc(Cl)ccc21,SBWPOLUGAHGUCQ-UHFFFAOYSA-N
-rxn:4:214867:223945,Cc1cc(-c2ccc(OCCCN3CCOCC3)c(F)c2)cnc1N1CCOC(C(=O)N2CCCC2)C1,CNYGOZLLCCXUEL-UHFFFAOYSA-N
-rxn:4:214873:226844,O=C(C1CCCN(c2ncc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2F)C1)N1CCOCC1,JGQBNDHUEHLLOT-UHFFFAOYSA-N
-rxn:4:214874:226844,O=C(C1CN(c2ncc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2F)CCO1)N1CCCCC1,WWEGGFCAFWHCHM-UHFFFAOYSA-N
-rxn:4:214875:226844,O=C(C1CCCN(c2ncc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2F)C1)N1CCSCC1,OANGQXCKXZRDFD-UHFFFAOYSA-N
-rxn:4:214880:223179,CONC(=O)c1cc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)c(C)c2)ccc1F,WOCUWNFULIFGBF-UHFFFAOYSA-N
-rxn:4:214881:223279,O=C(C1CCN(c2ncccc2-c2cnc(C3CCCN3)nc2)CC1)N1CCC(F)(F)CC1,GAOHHLPWRZUFIF-UHFFFAOYSA-N
-rxn:4:214882:226844,O=C(C1CCN(c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cn2)CC1)N1CCC(F)(F)CC1,PKKYRZWUDIDKFE-UHFFFAOYSA-N
-rxn:4:214883:223179,CONC(=O)c1cc(-c2cnccc2N2CCC(C(=O)N3CCC(F)(F)CC3)CC2)ccc1F,VNYJJWAHWIIVLR-UHFFFAOYSA-N
-rxn:4:214884:223179,CONC(=O)c1cc(-c2cc(Cl)cnc2N2CCC(C(=O)N3CCC(F)(F)CC3)CC2)ccc1F,NEEAPVHHPOEONL-UHFFFAOYSA-N
-rxn:4:214885:222597,O=C(Nc1ccccc1Cl)c1cc(-c2cnc(N3CCC(C(=O)N4CCC(F)(F)CC4)CC3)c(Cl)c2)ccc1F,JDIAVDBKTROXHJ-UHFFFAOYSA-N
-rxn:4:214890:223179,CONC(=O)c1cc(-c2cncc(C(=O)N3CCCN(C4CCSCC4)CC3)c2)ccc1F,LYISEUYFXXMOPM-UHFFFAOYSA-N
-rxn:4:214890:223279,O=C(c1cncc(-c2cnc(C3CCCN3)nc2)c1)N1CCCN(C2CCSCC2)CC1,AUHJMMFBJOSRKR-UHFFFAOYSA-N
-rxn:4:214896:223179,CONC(=O)c1cc(-c2cnc(N3CCC(C(=O)N4CCC(F)(F)CC4)CC3)c(C)c2)ccc1F,AQFYRDNMKSPIIK-UHFFFAOYSA-N
-rxn:4:214898:223179,CONC(=O)c1cc(-c2ccc(N3C(=O)CC(N4CCN(c5cccc(Cl)c5)CC4)C3=O)cc2)ccc1F,JJOBWPNNGZENEC-UHFFFAOYSA-N
-rxn:4:214898:226844,O=C1CC(N2CCN(c3cccc(Cl)c3)CC2)C(=O)N1c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1,UKBWKIXAFKZXMV-UHFFFAOYSA-N
-rxn:4:214900:222912,CC(C)CNS(=O)(=O)c1ccc(-c2ccc(CN3CCN(C)CC3)c(N3CCCCC3)c2)cc1,FHICFTORUDXBHT-UHFFFAOYSA-N
-rxn:4:215027:222719,CC(C)(C)OC(=O)N1CCn2ncc(-c3cc(C4CCCNC4)nc(C(F)(F)F)c3)c21,WMRLXPUJKUZIIX-UHFFFAOYSA-N
-rxn:4:215027:223898,CC(C)N(C(=O)OC(C)(C)C)c1ccc(-c2cnn3c2N(C(=O)OC(C)(C)C)CC3)cc1,DVHOCFPYZGDTFZ-UHFFFAOYSA-N
-rxn:4:215066:222637,CC(NC(=O)OC(C)(C)C)c1ccc(-c2cnn3c2N(C(=O)OC(C)(C)C)CCC3)cc1,XUJHKPURSLBHHG-UHFFFAOYSA-N
-rxn:4:215127:224672,CCN1CCN(c2ccc(-c3ccc4nc(N5CCN(C(=O)C6CC6)CC5)sc4c3)c(Cl)c2)CC1,MIZDBUHOMZVLBG-UHFFFAOYSA-N
-rxn:4:215166:224327,CC1CCCN(S(=O)(=O)c2cccc(-c3ccccc3C(=O)N3C4CCC3CC(n3cccn3)C4)c2)C1,XEBVZSMRELMDBI-UHFFFAOYSA-N
-rxn:4:215170:225539,CCN(CC)Cc1c(F)cccc1-c1cncc(C(=O)N2CC(N3C(=O)C4CC=CCC4C3=O)C2)c1,HGFIXGRLVJGGJY-UHFFFAOYSA-N
-rxn:4:215188:226844,O=C1N(c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2)C2CS(=O)(=O)CC2N1c1ccc([N+](=O)[O-])cc1,VQCZUJDOJGDNBJ-UHFFFAOYSA-N
-rxn:4:215201:223179,CONC(=O)c1cc(-c2cnc3n2CCC32CCN(C(=O)OC(C)(C)C)CC2)ccc1F,KDFDFGFJQCSOFJ-UHFFFAOYSA-N
-rxn:4:215201:226844,CC(C)(C)OC(=O)N1CCC2(CC1)CCn1c(-c3ccnc(C(=O)C(F)(F)F)c3)cnc12,IMQKTQDXOGXTST-UHFFFAOYSA-N
-rxn:4:215219:223179,CONC(=O)c1cc(-c2ccc3ccc(N4CCOC(C(=O)N5CCOCC5)C4)nc3c2)ccc1F,LPUUNMJBBDGCLR-UHFFFAOYSA-N
-rxn:4:215239:223179,CONC(=O)c1cc(-c2ccc(N3OC4C(=O)N(C5CCCCC5)C(=O)C4C3c3cccnc3)cc2)ccc1F,RWPNWSXHOXBXSD-UHFFFAOYSA-N
-rxn:4:215239:226844,O=C1C2ON(c3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3)C(c3cccnc3)C2C(=O)N1C1CCCCC1,BKAPYYGDIQMLAS-UHFFFAOYSA-N
-rxn:4:215240:223179,CONC(=O)c1cc(-c2ccc(C3=NN(c4ccccc4)C4C(=O)N(c5ccc6c(c5)OCCO6)C(=O)C34)cc2)ccc1F,WXXUJJRIUJHRLL-UHFFFAOYSA-N
-rxn:4:215240:226844,O=C1C2C(c3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3)=NN(c3ccccc3)C2C(=O)N1c1ccc2c(c1)OCCO2,ALHNPBRYOWHQAH-UHFFFAOYSA-N
-rxn:4:215241:223480,CCOC(=O)c1cc2c3ccc(-c4cc(C)c(S(=O)(=O)N5CCN(C(=O)OC(C)(C)C)CC5)c(C)c4)cc3nn2cn1,IDUGTDRGPZAVRO-UHFFFAOYSA-N
-rxn:4:215260:223973,COc1ccc(-c2ccc(N3CCCC(C)C3)cc2C(F)(F)F)c(C(=O)N2CCc3nc4ccc(Cl)cn4c(=O)c3C2)c1,VPWKOXGOXSPQTG-UHFFFAOYSA-N
-rxn:4:215285:223179,CONC(=O)c1cc(-c2ccc(C3C4C(=O)N(c5ccc(OC)cc5)C(=O)C4N4CCCN34)cc2)ccc1F,JVRVKZZIQCWNDW-UHFFFAOYSA-N
-rxn:4:215285:223279,COc1ccc(N2C(=O)C3C(C2=O)N2CCCN2C3c2ccc(-c3cnc(C4CCCN4)nc3)cc2)cc1,POVOCVTYOXMONH-UHFFFAOYSA-N
-rxn:4:215296:223179,CCCN1CCC2(CC1)Oc1ccc(-c3ccc(F)c(C(=O)NOC)c3)cc1C1CC(c3ccccc3)=NN12,FEPZXAYSQDIUDR-UHFFFAOYSA-N
-rxn:4:215303:224705,CCCN1CCC2(CC1)Oc1ccc(-c3ccc(N4CCC(C)CC4)c(F)c3F)cc1C1CC(c3ccc4ccccc4c3)=NN12,YSBODPJOFIGWJY-UHFFFAOYSA-N
-rxn:4:215303:226844,CCCN1CCC2(CC1)Oc1ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc1C1CC(c3ccc4ccccc4c3)=NN12,YSPYKZYTJIHOTR-UHFFFAOYSA-N
-rxn:4:215304:223179,CONC(=O)c1cc(-c2ccc3c(c2)C2CC(c4ccc(C)cc4)=NN2C2(CCN(Cc4ccccc4)CC2)O3)ccc1F,JXZYROGMOCJZBL-UHFFFAOYSA-N
-rxn:4:215304:225652,Cc1ccc(C2=NN3C(C2)c2cc(-c4cncc(N5CCCC(C)C5)c4)ccc2OC32CCN(Cc3ccccc3)CC2)cc1,OOOLJMGRKYIWRR-UHFFFAOYSA-N
-rxn:4:215413:223493,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1nn[nH]c1CC(C)C,QZTLCINSZSSBNT-UHFFFAOYSA-N
-rxn:4:215730:223589,CSC1CCN(c2ncc(-c3cnc(N4CCN(C(=O)OC(C)(C)C)CC4)cc3C)cn2)C1,WPHJBBTYMZJIOE-UHFFFAOYSA-N
-rxn:4:215900:224376,CN1CCN(S(=O)(=O)c2ccc(-c3cccc(S(=O)(=O)N4CCN(C)CC4)c3)nc2)CC1,PDSQWBFOJXYHNP-UHFFFAOYSA-N
-rxn:4:215906:224391,Cc1cc(S(=O)(=O)N2CCOCC2)ccc1-c1cncc(S(=O)(=O)N2CCN(C)CC2)c1,DKTPYRLJGMZJJB-UHFFFAOYSA-N
-rxn:4:215907:224325,CN1CCN(S(=O)(=O)c2ccc(-c3ccc(C4=CCN(S(C)(=O)=O)CC4)cc3)cn2)CC1,PGIFCNWTOIRXEC-UHFFFAOYSA-N
-rxn:4:215940:223785,CCN1CCN(CCOc2ccc(-c3ccc(N4CCC(N(C)C)CC4)cn3)cc2Cl)CC1,ZKNDEJHQCAMIRJ-UHFFFAOYSA-N
-rxn:4:215950:223602,CCN1CCN(c2ncc(C)cc2-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2Cl)CC1,LLOPUOQIFNIYCG-UHFFFAOYSA-N
-rxn:4:215985:226844,CN1CCN(C2CC(=O)N(c3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3)C2=O)CC1,MKUFNVUKWLWYNZ-UHFFFAOYSA-N
-rxn:4:215989:223069,CCCS(=O)(=O)Nc1cccc(-c2ccc(N3CCC(N4CCN(C)CC4)CC3)cc2)c1,UBDVBQBDOXHQRW-UHFFFAOYSA-N
-rxn:4:216354:226844,CC(=O)N1CCC2(CC1)Oc1ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc1C1CC(c3ccccc3)=NN12,LQNCXMMWVCPUDQ-UHFFFAOYSA-N
-rxn:4:217181:223502,Cc1cc(N2CCCCC2)nc(-c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c(F)c2)n1,XNAUVZANFGNPHF-UHFFFAOYSA-N
-rxn:4:217199:222465,CN1CCN(c2ncc(-c3cc(C4CCCCC4)nc(C4CCCNC4)c3)cc2F)CC1,BQPHRAZDDPKQJY-UHFFFAOYSA-N
-rxn:4:217852:223589,Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1nn(C2CCCCO2)c2c(Cl)nccc12,PNJFNFNRSZSTFE-UHFFFAOYSA-N
-rxn:4:217857:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3cnn(C)c3C34CCN(C)CC3O4)cc2)CC1,OUDZSYZNDSCHQJ-UHFFFAOYSA-N
-rxn:4:217905:224325,Cc1ccc(C2=NN3C(C2)c2cc(-c4ccc(C5=CCN(S(C)(=O)=O)CC5)cc4)ccc2OC32CCN(C)CC2)o1,WLJBNOUKKDCWIA-UHFFFAOYSA-N
-rxn:4:217905:226844,Cc1ccc(C2=NN3C(C2)c2cc(-c4ccnc(C(=O)C(F)(F)F)c4)ccc2OC32CCN(C)CC2)o1,LICOTVWXGXTNTC-UHFFFAOYSA-N
-rxn:4:217907:225709,CN(C)CCCOc1ccc(-c2ccc3c(c2)C2CC(c4ccc(Cl)cc4)=NN2C2(CCN(C)CC2)O3)cn1,YNZCGPGSVPTCGO-UHFFFAOYSA-N
-rxn:4:217907:226844,CN1CCC2(CC1)Oc1ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc1C1CC(c3ccc(Cl)cc3)=NN12,UROXGBFYEVIDQZ-UHFFFAOYSA-N
-rxn:4:218578:223179,CONC(=O)c1cc(-c2cnn(C3(CC#N)CCN(C(=O)OC(C)(C)C)CC3)c2)ccc1F,CXRHYVHOPFMJPO-UHFFFAOYSA-N
-rxn:4:218578:223279,CC(C)(C)OC(=O)N1CCC(CC#N)(n2cc(-c3cnc(C4CCCN4)nc3)cn2)CC1,SVPWJMDHHJUYOG-UHFFFAOYSA-N
-rxn:4:218615:223279,CN(CC1CCN(C(=O)OC(C)(C)C)C1)c1cnc(-c2cnc(C3CCCN3)nc2)cn1,VJTGWWXFSMATQH-UHFFFAOYSA-N
-rxn:4:218621:223179,CONC(=O)c1cc(-c2cnc(OC3CCN(S(=O)(=O)CCN4C(=O)CCCC4=O)C3)nc2)ccc1F,QGXLJXQKZLPIFA-UHFFFAOYSA-N
-rxn:4:218621:223279,O=C1CCCC(=O)N1CCS(=O)(=O)N1CCC(Oc2ncc(-c3cnc(C4CCCN4)nc3)cn2)C1,KNDPYZUFTPPPJU-UHFFFAOYSA-N
-rxn:4:218674:223179,CONC(=O)c1cc(-c2c(C)nn(CCC(=O)N3CCN(S(=O)(=O)c4ccccc4)CC3)c2C)ccc1F,WEFOEBQPSXAVLZ-UHFFFAOYSA-N
-rxn:4:218674:223279,Cc1nn(CCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c(C)c1-c1cnc(C2CCCN2)nc1,DBLZZHXCQUYUPE-UHFFFAOYSA-N
-rxn:4:218681:223179,CONC(=O)c1cc(-c2cnc(OCC3CCN(C(=O)C4CCN(C(C)=O)CC4)CC3)nc2)ccc1F,TWDUDLAESWEDDC-UHFFFAOYSA-N
-rxn:4:218681:223715,CC(=O)N1CCC(C(=O)N2CCC(COc3ncc(-c4ccc(COc5cccc6ccccc56)cc4)cn3)CC2)CC1,DLOFVIAIFNGRMQ-UHFFFAOYSA-N
-rxn:4:218681:226727,CC(=O)N1CCC(C(=O)N2CCC(COc3ncc(-c4cccc(SCC(F)(F)F)c4)cn3)CC2)CC1,HHECMUMCIXCADQ-UHFFFAOYSA-N
-rxn:4:218681:226844,CC(=O)N1CCC(C(=O)N2CCC(COc3ncc(-c4ccnc(C(=O)C(F)(F)F)c4)cn3)CC2)CC1,VHTOCRIPUBAPJM-UHFFFAOYSA-N
-rxn:4:218682:226844,CC(=O)N1CCC(C(=O)N2CCCC(COc3ncc(-c4ccnc(C(=O)C(F)(F)F)c4)cn3)C2)CC1,UYMGCZLORJNISX-UHFFFAOYSA-N
-rxn:4:218684:226844,CC(C)(C)OC(=O)N1CCN(c2nc(-c3cccc(-c4ccnc(C(=O)C(F)(F)F)c4)c3)ccc2C#N)CC1,PYCUQNNQKZTBFC-UHFFFAOYSA-N
-rxn:4:218687:223179,CONC(=O)c1cc(-c2cncc(C(=O)N3CCC(COc4ccc(C(C)(C)C)nn4)CC3)c2)ccc1F,BSTBIGAGXITPAI-UHFFFAOYSA-N
-rxn:4:218695:223279,Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCn3nc(C)c(-c4cnc(C5CCCN5)nc4)c3C)CC2)cc1,KMJQCPNADPYGSP-UHFFFAOYSA-N
-rxn:4:218696:226844,Cc1nn(C(C)CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c(C)c1-c1ccnc(C(=O)C(F)(F)F)c1,KKDVVAFVKNLSAT-UHFFFAOYSA-N
-rxn:4:218706:226844,Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCn3nc(C)c(-c4ccnc(C(=O)C(F)(F)F)c4)c3C)CC2)cc1C,QEJDRBOETFBJOO-UHFFFAOYSA-N
-rxn:4:218707:226844,Cc1ccc(S(=O)(=O)N2CCN(C(=O)CC(C)n3nc(C)c(-c4ccnc(C(=O)C(F)(F)F)c4)c3C)CC2)cc1,YZEMYXOLYQGFKW-UHFFFAOYSA-N
-rxn:4:218712:229105,Cc1ccc(S(=O)(=O)N2CCN(C(=O)CC(C)n3nc(C)c(-c4ccc(Cl)nc4C)c3C)CC2)c(C)c1,CZNNSFCODXHNBB-UHFFFAOYSA-N
-rxn:4:218729:224502,CN1CCCCC1COc1cccc(-c2ccc(-c3nc4sccn4c3C=NOCC(=O)N3CCOCC3)cc2)c1,KTQRUKRJZIIAIO-UHFFFAOYSA-N
-rxn:4:218754:226844,CC(C)(C)OC(=O)N1CCC(n2c(=O)c3scc(-c4ccnc(C(=O)C(F)(F)F)c4)c3n(CC#N)c2=O)CC1,LUMGBOPUNNYGMS-UHFFFAOYSA-N
-rxn:4:218755:226844,CC(C)(C)OC(=O)N1CCC(n2c(=O)c3sc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3n(CC#N)c2=O)CC1,DWSJQKGPRAISTR-UHFFFAOYSA-N
-rxn:4:218768:226844,COc1ccc(CCC(=O)N2Cc3cnc(N4CCOCC4)nc3C2)cc1-c1ccnc(C(=O)C(F)(F)F)c1,VAYDONKLQWCWLI-UHFFFAOYSA-N
-rxn:4:218775:223279,O=C(CN1CCN(C(=O)Cn2ccc3cc(-c4cnc(C5CCCN5)nc4)ccc32)CC1)N1CCCCCC1,YMYZMYWFTZMNET-UHFFFAOYSA-N
-rxn:4:218777:226844,Cc1nn(C(C)CC(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)c(C)c1-c1ccnc(C(=O)C(F)(F)F)c1,VQUOTJZJWWFNBD-UHFFFAOYSA-N
-rxn:4:218786:226844,CS(=O)(=O)N1CCN(C(=O)CCC(=O)N2CCc3[nH]c4c(-c5ccnc(C(=O)C(F)(F)F)c5)cccc4c3C2)CC1,ANNCAFHQSYATCX-UHFFFAOYSA-N
-rxn:4:218788:226844,CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C2CCCCC2)c1=NC(=O)c1ccccc1-c1ccnc(C(=O)C(F)(F)F)c1,IDJPPLXTIGKOMN-UHFFFAOYSA-N
-rxn:4:218831:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3cnc(OCC4CCN(C(=O)c5cscn5)CC4)nc3)cc2)CC1,VVSQMERSNZKCSN-UHFFFAOYSA-N
-rxn:4:218846:223279,O=C(CN1C(=O)CCC1=O)N1CCC(Oc2ncc(-c3cnc(C4CCCN4)nc3)cn2)C1,HNUIBMGMYSWCTE-UHFFFAOYSA-N
-rxn:4:218868:226374,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3cncnc3C3CCCCC3)cc2)no1,PCWRJWXAMIEXPD-UHFFFAOYSA-N
-rxn:4:218898:222697,O=C(c1ccncc1F)N1CCC(COc2ncc(-c3ccc(Cl)c(C(=O)N4CCC(O)CC4)c3)cn2)CC1,SYFQYFFWYYUNLF-UHFFFAOYSA-N
-rxn:4:218943:223179,CONC(=O)c1cc(-c2cnc(N(C)C3CCN(C(=O)OC(C)(C)C)C3)cn2)ccc1F,MTQZQSJKGDRIQZ-UHFFFAOYSA-N
-rxn:4:218944:226844,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2[N+](=O)[O-])CC1,ZDNWTNSMFNPFGG-UHFFFAOYSA-N
-rxn:4:218945:223179,CONC(=O)c1cc(-c2cncc([N+](=O)[O-])c2N2CCN(C(=O)OC(C)(C)C)CC2)ccc1F,CSFJSQXVWBDTIR-UHFFFAOYSA-N
-rxn:4:218948:223179,CONC(=O)c1cc(-c2cnc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)nc2)ccc1F,UYDPSOBXTWMKLK-UHFFFAOYSA-N
-rxn:4:218963:223179,CONC(=O)c1cc(-c2cnn(C)c2C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)ccc1F,XOGWGCCQHLVMPT-UHFFFAOYSA-N
-rxn:4:218972:222607,Cc1nc(C)c(C(=O)N2CCCC(COc3ncc(-c4ccc(NC5CCN(S(C)(=O)=O)CC5)cc4)cn3)C2)s1,PMVRPXMMJBJNKL-UHFFFAOYSA-N
-rxn:4:218972:223945,Cc1nc(C)c(C(=O)N2CCCC(COc3ncc(-c4ccc(OCCCN5CCOCC5)c(F)c4)cn3)C2)s1,RSDRUUOBBPQNKX-UHFFFAOYSA-N
-rxn:4:218982:223279,O=C(c1cncc(-c2cnc(C3CCCN3)nc2)c1)N1CCC(N2CC(=O)N(CC(F)(F)F)C2=O)CC1,BXCOXPFKTUKPRX-UHFFFAOYSA-N
-rxn:4:218998:222447,COc1ccc2c(c1-c1cnc(OCC3CCCN(C(=O)N4CCOCC4)C3)nc1)N=C(NC(=O)OC(C)(C)C)C2,YFXCDJKLVJGSRG-UHFFFAOYSA-N
-rxn:4:218998:223179,CONC(=O)c1cc(-c2cnc(OCC3CCCN(C(=O)N4CCOCC4)C3)nc2)ccc1F,HBJQHGGRFMEIAT-UHFFFAOYSA-N
-rxn:4:218998:226844,O=C(N1CCOCC1)N1CCCC(COc2ncc(-c3ccnc(C(=O)C(F)(F)F)c3)cn2)C1,KRINENKXIXSQEM-UHFFFAOYSA-N
-rxn:4:219011:223279,CN(c1cnc(-c2cnc(C3CCCN3)nc2)cn1)C1CCN(C(=O)OC(C)(C)C)CC1,OWTDGWMZODHDQJ-UHFFFAOYSA-N
-rxn:4:219011:226844,CN(c1cnc(-c2ccnc(C(=O)C(F)(F)F)c2)cn1)C1CCN(C(=O)OC(C)(C)C)CC1,WKKDVHWOPZRCSH-UHFFFAOYSA-N
-rxn:4:219012:226844,CN(c1ncc(-c2ccnc(C(=O)C(F)(F)F)c2)cn1)C1CCCN(C(=O)OC(C)(C)C)C1,QQUCFUQWBSOCHQ-UHFFFAOYSA-N
-rxn:4:219015:223179,CONC(=O)c1cc(-c2ccc(OC)cc2C(=O)N2CCC(S(=O)(=O)c3nncn3C)CC2)ccc1F,BJULRZRODBTTDG-UHFFFAOYSA-N
-rxn:4:219026:223179,CONC(=O)c1cc(-c2cnn(C)c2C(=O)N2CCN(C(=O)OC(C)(C)C)C(C)C2)ccc1F,GGBFGGQVXRYTHX-UHFFFAOYSA-N
-rxn:4:219026:223279,CC1CN(C(=O)c2c(-c3cnc(C4CCCN4)nc3)cnn2C)CCN1C(=O)OC(C)(C)C,UXBFCWTUYDBYNB-UHFFFAOYSA-N
-rxn:4:219027:223179,CONC(=O)c1cc(-c2cnn(C)c2C(=O)N2CCN(C(=O)OC(C)(C)C)CC2C)ccc1F,IKVHUKBMEHGGDS-UHFFFAOYSA-N
-rxn:4:219027:226844,CC1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1c(-c2ccnc(C(=O)C(F)(F)F)c2)cnn1C,BYTMIANBLCQLDJ-UHFFFAOYSA-N
-rxn:4:219029:223179,CONC(=O)c1cc(-c2c(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3C)cnn2C)ccc1F,PZMDJAGGCHENFR-UHFFFAOYSA-N
-rxn:4:219042:223279,CC1CN(C(=O)OC(C)(C)C)CCN1Cc1nn(C)cc1-c1cnc(C2CCCN2)nc1,WVTKQHAUJIPKHT-UHFFFAOYSA-N
-rxn:4:219043:223279,CC1CN(Cc2nn(C)cc2-c2cnc(C3CCCN3)nc2)CCN1C(=O)OC(C)(C)C,ZFSAFLCDIUDEQJ-UHFFFAOYSA-N
-rxn:4:219045:225301,Cc1cc(C)n(CCN2CCN(C(=O)c3ccccc3-c3cc(OC4CCOCC4)ncc3F)CC2)n1,ZCUHXBFVHNOYMG-UHFFFAOYSA-N
-rxn:4:219051:223179,CONC(=O)c1cc(-c2cnc(N(C)C3CCCN(C(=O)OC(C)(C)C)CC3)cn2)ccc1F,QUPXYPYOZRNESR-UHFFFAOYSA-N
-rxn:4:219053:225869,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cncc(-c4ccc(N5CCOCC5)c(Cl)c4)c3)cn2)CC1,NMGCDXBRTFVAPP-UHFFFAOYSA-N
-rxn:4:219062:223179,CONC(=O)c1cc(-c2cccnc2OC2CCN(S(=O)(=O)c3c(C)nn(C(C)C)c3C)C2)ccc1F,BPXKUTWXTSEBLQ-UHFFFAOYSA-N
-rxn:4:219067:223279,O=C(C1CC(=O)N(c2cccc(-c3cnc(C4CCCN4)nc3)c2)C1)N1CCC(Cn2ccnc2)CC1,HZQCOPNKFWRXMF-UHFFFAOYSA-N
-rxn:4:219073:223179,CONC(=O)c1cc(-c2ccc(C(=O)N3CCN(c4ccc([N+](=O)[O-])c(N5CCCC5)c4)CC3)cc2)ccc1F,RLKRILIUEFHSQY-UHFFFAOYSA-N
-rxn:4:219073:226833,O=C(c1ccc(-c2ccc(OCC(F)(F)F)nc2)cc1)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCC3)c2)CC1,ITGQCYXIIMMEJL-UHFFFAOYSA-N
-rxn:4:219078:223179,CONC(=O)c1cc(-c2ccccc2C(=O)N2CCN(c3ccc([N+](=O)[O-])c(N4CCOCC4)c3)CC2)ccc1F,QQBGNBTYCWVCNQ-UHFFFAOYSA-N
-rxn:4:219078:223279,O=C(c1ccccc1-c1cnc(C2CCCN2)nc1)N1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2)CC1,WFNUIVKGLNFNQX-UHFFFAOYSA-N
-rxn:4:219125:222926,Cc1nc(N2CCCC(O)C2)ncc1-c1ccccc1CCC(=O)N1C2CCC1CC(n1nccn1)C2,CXTKALWTRJIVKK-UHFFFAOYSA-N
-rxn:4:219135:223279,COc1ccc(N2C(=O)C3N=NN(Cc4ccc(OC)c(-c5cnc(C6CCCN6)nc5)c4)C3C2=O)cc1,WDSCBOADVQEGAZ-UHFFFAOYSA-N
-rxn:4:219142:226844,CC(C)(C)OC(=O)N1CCC(c2n[nH]c3c(C#N)cc(-c4ccnc(C(=O)C(F)(F)F)c4)cc23)CC1,XZEORNLHZJPCFS-UHFFFAOYSA-N
-rxn:4:219174:225889,C[Si](C)(C)CCOCn1nccc1-c1ccccc1CCC(=O)N1CCCc2cnc(N3CCOCC3)nc21,CDRKBSDZFYLXFA-UHFFFAOYSA-N
-rxn:4:219184:226844,CCCN1CCN(C(=O)c2cc3n(n2)CC(c2ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc2)OC3)CC1,JZDGHZWQORQGGO-UHFFFAOYSA-N
-rxn:4:219294:222546,Cc1nc(C(=O)N2CCC(Oc3ncc(-c4ccc(OCCNC5CCCCC5)c(F)c4)cn3)C2)cs1,LUPDQOUSOGNMEK-UHFFFAOYSA-N
-rxn:4:219348:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnccc3OC3CCN(c4nccnc4OC)C3)c(F)c2)CC1,XGPWPXHNNRTPPU-JGPFKASNSA-N
-rxn:4:219353:225709,CN(C)CCCOc1ccc(-c2cnc(OC3CCN(S(=O)(=O)N(C)C)CC3)nc2)cn1,ZKHPOCMTAIZRHH-UHFFFAOYSA-N
-rxn:4:219372:225975,CC(C)(C)OC(=O)N1CCC(c2[nH]nnc2-c2ccnc(N3CCOCC3)c2Cl)CC1,NXWDZDPBCGBTJX-UHFFFAOYSA-N
-rxn:4:219381:223179,CONC(=O)c1cc(-c2cnc(SC)nc2N2CCN(S(=O)(=O)C3CC3)CC2)ccc1F,HFQZLWQNCQYCTL-UHFFFAOYSA-N
-rxn:4:219381:226844,CSc1ncc(-c2ccnc(C(=O)C(F)(F)F)c2)c(N2CCN(S(=O)(=O)C3CC3)CC2)n1,OCVUOOMUZOGZJX-UHFFFAOYSA-N
-rxn:4:219385:223649,CCc1ncnc(N2CCC(Oc3ccncc3-c3cccc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)C2)c1F,KUVVIOPWJXYKSH-UHFFFAOYSA-N
-rxn:4:219404:222511,CC(C)(C)OC(=O)N1CCN(c2cncc(-c3cc(C(=O)NC4CCCCC4)cc([N+](=O)[O-])c3)n2)CC1,ABEZSKDYHUUAJU-UHFFFAOYSA-N
-rxn:4:219414:227472,CCCOc1ncc(Cl)cc1-c1cnc(N2CCOC(C(=O)N3CCCC3)C2)c(C#N)c1,XTVBEEPCVUCNOJ-UHFFFAOYSA-N
-rxn:4:219419:222858,Cc1nc(N2CCN(C(=O)c3ccc(-c4cccc(C(=O)NCCN(C)C)c4)o3)CC2)cc(C(F)(F)F)n1,FCIWUNJZSRPHQR-UHFFFAOYSA-N
-rxn:4:219436:223179,CONC(=O)c1cc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)c(C#N)c2)ccc1F,WPUOTMLCVIELFE-UHFFFAOYSA-N
-rxn:4:219436:223279,N#Cc1cc(-c2cnc(C3CCCN3)nc2)cnc1N1CCOC(C(=O)N2CCOCC2)C1,PFOPUQBXBYRSJY-UHFFFAOYSA-N
-rxn:4:219451:223179,CONC(=O)c1cc(-c2cn(C)nc2C(=O)N2CCCN(CC3CC3)CC2)ccc1F,PCOCXEAZECRVDF-UHFFFAOYSA-N
-rxn:4:219454:223179,CONC(=O)c1cc(-c2nnn(C3CCN(C(=O)OC(C)(C)C)CC3)c2C)ccc1F,GMKMZSLOCLUTNJ-UHFFFAOYSA-N
-rxn:4:219454:226844,Cc1c(-c2ccnc(C(=O)C(F)(F)F)c2)nnn1C1CCN(C(=O)OC(C)(C)C)CC1,JMAYYBMEVLBLGZ-UHFFFAOYSA-N
-rxn:4:219455:223179,CONC(=O)c1cc(-c2n[nH]c(C3CCN(C(=O)OC(C)(C)C)CC3C)n2)ccc1F,JGEVWOFNSJYOMC-UHFFFAOYSA-N
-rxn:4:219457:223179,CONC(=O)c1cc(-c2cn(C3CCN(C(=O)OC(C)(C)C)CC3C)nn2)ccc1F,VHWHJQFQQXJZTN-UHFFFAOYSA-N
-rxn:4:219469:223279,CSc1ncc(-c2cnc(C3CCCN3)nc2)c(N2CCCN(S(=O)(=O)C3CC3)CC2)n1,CYRARQSWWVHFLP-UHFFFAOYSA-N
-rxn:4:219469:226844,CSc1ncc(-c2ccnc(C(=O)C(F)(F)F)c2)c(N2CCCN(S(=O)(=O)C3CC3)CC2)n1,LDWVKUBCIXNORJ-UHFFFAOYSA-N
-rxn:4:219471:226844,CSc1ncc(-c2ccnc(C(=O)C(F)(F)F)c2)c(N2CCOC(C(=O)N3CCCC3)C2)n1,ZSCAQXZHJKTSBY-UHFFFAOYSA-N
-rxn:4:219473:223279,COc1nc(N2CCOC(C(=O)N3CCCC3)C2)ncc1-c1cnc(C2CCCN2)nc1,WJWHNFWDEADCIF-UHFFFAOYSA-N
-rxn:4:219487:223179,CONC(=O)c1cc(-c2cnc(N3CCCN(C(=O)OC(C)(C)C)CC3)cn2)ccc1F,ZYULGKJAQJFTPR-UHFFFAOYSA-N
-rxn:4:219487:226844,CC(C)(C)OC(=O)N1CCCN(c2cnc(-c3ccnc(C(=O)C(F)(F)F)c3)cn2)CC1,JEVXZTCYUBNFTG-UHFFFAOYSA-N
-rxn:4:219491:222584,CC(C)c1c(C(=O)N2CCOCC2)nnn1-c1ccc(-c2ccc(OCCCN3CCNCC3)c(F)c2)cc1,ADDFVFJSMCORBM-UHFFFAOYSA-N
-rxn:4:219497:223179,CONC(=O)c1cc(-c2cnc(N3CCOC(C(=O)N4CCCCC4)C3)c(C#N)c2)ccc1F,SYDPGKIAFKUYST-UHFFFAOYSA-N
-rxn:4:219498:223179,CONC(=O)c1cc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)nc2OC)ccc1F,FKMJKQYSVPOPMK-UHFFFAOYSA-N
-rxn:4:219500:226844,N#Cc1cc(-c2ccnc(C(=O)C(F)(F)F)c2)cnc1N1CCCC(C(=O)N2CCSCC2)C1,FOUCEKHBDGUYGV-UHFFFAOYSA-N
-rxn:4:219501:224016,CSc1ncc(-c2cn(S(=O)(=O)N(C)C)nc2-c2ccccn2)c(N2CCOC(C(=O)N3CCOCC3)C2)n1,AEHLQUGLECCTOC-UHFFFAOYSA-N
-rxn:4:219517:222838,CN1CCC(N2CCCC(COc3ncc(-c4ccc(CNC(=O)C(C)(C)C)cc4)cn3)C2)C1=O,YYGRHJJCOUIAAN-UHFFFAOYSA-N
-rxn:4:219530:223279,O=C1C(N2CCC(Oc3ncc(-c4cnc(C5CCCN5)nc4)cn3)CC2)CCN1C1CC1,NGBSVGLXZVRKTR-UHFFFAOYSA-N
-rxn:4:219531:223179,CONC(=O)c1cc(-c2cnc(SC)nc2N2CCOC(C(=O)N3CCCCC3)C2)ccc1F,FNKUFXOWBHQLEN-UHFFFAOYSA-N
-rxn:4:219532:223279,COc1nc(N2CCCC(C(=O)N3CCSCC3)C2)ncc1-c1cnc(C2CCCN2)nc1,NHAZFUPNTBGADC-UHFFFAOYSA-N
-rxn:4:219533:226844,CSc1ncc(-c2ccnc(C(=O)C(F)(F)F)c2)c(N2CCCC(C(=O)N3CCOCC3)C2)n1,QKPINBVWTQRIMH-UHFFFAOYSA-N
-rxn:4:219538:223179,CONC(=O)c1cc(-c2cnc(N3CCC(C(=O)N4CCC(F)(F)CC4)CC3)c(C#N)c2)ccc1F,GFMNDRAAZLXYHO-UHFFFAOYSA-N
-rxn:4:219538:223279,N#Cc1cc(-c2cnc(C3CCCN3)nc2)cnc1N1CCC(C(=O)N2CCC(F)(F)CC2)CC1,MROXNGGURPCJCV-UHFFFAOYSA-N
-rxn:4:219538:228294,CCCOc1ncc(-c2cnc(N3CCC(C(=O)N4CCC(F)(F)CC4)CC3)c(C#N)c2)cn1,INLCTEQOWAEZHB-UHFFFAOYSA-N
-rxn:4:219551:223279,CC(C)N1CCC(N2CCC(Oc3ncc(-c4cnc(C5CCCN5)nc4)cn3)CC2)C1=O,WUKHPCRAIWFXRF-UHFFFAOYSA-N
-rxn:4:219552:222584,COc1nc(N2CCC(C(=O)N3CCC(F)(F)CC3)CC2)ncc1-c1ccc(OCCCN2CCNCC2)c(F)c1,LWEWHFCRBXHGTD-UHFFFAOYSA-N
-rxn:4:219553:223179,CONC(=O)c1cc(-c2ccc(Cl)c(C(=O)N3CCC(c4nn(C)c(=O)n4C4CC4)CC3)c2)ccc1F,VODJJUGVPJXYNE-UHFFFAOYSA-N
-rxn:4:219559:223179,CONC(=O)c1cc(-c2ccc(C(=O)N3CCCN(S(=O)(=O)c4c(C)nn(C)c4C)CC3)o2)ccc1F,OAWFABQLFHWGKJ-UHFFFAOYSA-N
-rxn:4:219560:225827,Cc1nc(S(=O)(=O)N2CCCN(C(=O)c3ccccc3-c3ccnc(N4CCN(C)CC4)c3)CC2)cn1C,KXIWNGUVONORPR-UHFFFAOYSA-N
-rxn:4:219562:223279,O=C(c1cncc(-c2cnc(C3CCCN3)nc2)c1)N1CCC(N2CC(=O)N(c3ccccc3)C2=O)CC1,MSVJFRWVQFGBFQ-UHFFFAOYSA-N
-rxn:4:219569:223179,CONC(=O)c1cc(-c2cc([N+](=O)[O-])c(OC)cc2N2CCC(N3CCN(C)CC3)CC2)ccc1F,ATOYHAUQMQWYII-UHFFFAOYSA-N
-rxn:4:219627:227628,CC(C)(C)OC(=O)N1C2CCC1CN(c1nnc(-c3cnc(C4CCC4)nc3Cl)s1)C2,IZNWMZPRSRJPOG-UHFFFAOYSA-N
-rxn:4:219631:223983,CCN1CCN(S(=O)(=O)c2ccccc2-c2ccc(C(=O)N(C)C3CN(c4cc5c(nn4)CCC5)C3)o2)CC1,GUIQMFNUWXTUEP-UHFFFAOYSA-N
-rxn:4:219653:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc4nc(N5CCN(C(=O)OC(C)(C)C)CC5)sc4n3)c2)CC1,GCNZGYYXEUQXDI-UHFFFAOYSA-N
-rxn:4:219666:224421,CC(C)c1cc(C(C)C)c(-c2cccc(C(=O)N3CCN(S(=O)(=O)c4cccc5nonc45)CC3)c2)c(C(C)C)c1,POLHTXJHNKPSAL-UHFFFAOYSA-N
-rxn:4:219672:225087,COc1ccc(-c2ccc(OCCCN(C)C)c(F)c2)c(C(=O)N2C3CCC2CC(n2nccn2)C3)c1,ITGVQBODVSYJPO-UHFFFAOYSA-N
-rxn:4:219688:225980,CC(C)(C)OC(=O)N1CCC(c2nc3ccc(-c4cc(N5CCOCC5)ncc4F)cn3n2)CC1,QEEYMWMZCDUWKA-UHFFFAOYSA-N
-rxn:4:219690:223179,CONC(=O)c1cc(-c2cc3c(cc2F)nnn3C2CCN(C(=O)OC(C)(C)C)CC2)ccc1F,WBYAJEKIPYUDPJ-UHFFFAOYSA-N
-rxn:4:219691:223091,CC(C)(C)OC(=O)Nc1ncc(-c2cnn3c(Cl)cc(C4CCCN(C(=O)OC(C)(C)C)C4)nc23)s1,ZNBMNXNGFWADRW-UHFFFAOYSA-N
-rxn:4:219691:223179,CONC(=O)c1cc(-c2cnn3c(Cl)cc(C4CCCN(C(=O)OC(C)(C)C)C4)nc23)ccc1F,WFEWKCRXJDMIEW-UHFFFAOYSA-N
-rxn:4:219692:223179,CONC(=O)c1cc(-c2cn(C3CCN(C(=O)OC(C)(C)C)CC3)c3nc(Cl)ncc23)ccc1F,VNTQWEKNHVPDSP-UHFFFAOYSA-N
-rxn:4:219692:226844,CC(C)(C)OC(=O)N1CCC(n2cc(-c3ccnc(C(=O)C(F)(F)F)c3)c3cnc(Cl)nc32)CC1,CVMJNIJYDPCXHD-UHFFFAOYSA-N
-rxn:4:219707:224394,Cc1ccc(-c2c(Cl)cc3c(N4CCN(C(=O)OC(C)(C)C)CC4)ncnc3c2F)cc1S(=O)(=O)N1CCOCC1,GZADJGKTCNSJPT-UHFFFAOYSA-N
-rxn:4:219707:225825,CN1CCN(c2ccc(-c3c(Cl)cc4c(N5CCN(C(=O)OC(C)(C)C)CC5)ncnc4c3F)cn2)CC1,DNFHMMRQGSXBJQ-UHFFFAOYSA-N
-rxn:4:219707:226844,CC(C)(C)OC(=O)N1CCN(c2ncnc3c(F)c(-c4ccnc(C(=O)C(F)(F)F)c4)c(Cl)cc23)CC1,IQICSPWBJVMWQV-UHFFFAOYSA-N
-rxn:4:219710:226909,CCC/C=C/c1ccc(-c2ccc(N3N=NC4C(=O)N(c5cc(OC)cc(OC)c5)C(=O)C43)cc2C)cc1,BLMHRWFXTJQKAM-BQYQJAHWSA-N
-rxn:4:219762:223279,CC(=O)C1=C(c2ccc(-c3cnc(C4CCCN4)nc3)cc2)N(C(C)=O)n2c(nnc2C2CCCCC2)S1,IXBSHQIUFAJUHO-UHFFFAOYSA-N
-rxn:4:219764:226264,CCCCOc1ccc(-c2c(Cl)cc3c(N4CC5CCC(C4)N5C(=O)OC(C)(C)C)nc(F)nc3c2F)c(F)c1,CSJRLQOIFSSANI-UHFFFAOYSA-N
-rxn:4:219769:226844,CC(C)N1CCN(C(=O)c2cc3n(n2)CC(c2ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc2)OC3)CC1,YZEZMCYFYOOASC-UHFFFAOYSA-N
-rxn:4:219778:224718,CCn1cc(-c2nc(-c3ccc(-c4ccc(OCCN5CCOCC5)nc4)cc3)no2)c(=O)c2cc(F)c(N3CCC(C)CC3)cc21,GVKNJDHHVOTUBP-UHFFFAOYSA-N
-rxn:4:219904:222582,CN(C)S(=O)(=O)N1CCC(c2cnc(-c3cccc(C(=O)NCCN4CCOCC4)c3)cn2)CC1,HOPLXWQEBBGFQH-UHFFFAOYSA-N
-rxn:4:219955:223179,CONC(=O)c1cc(-c2cnc(N3CCOC(C(=O)N4CCSCC4)C3)nc2)ccc1F,HNDOFFCJLZSQHV-UHFFFAOYSA-N
-rxn:4:219959:223179,CONC(=O)c1cc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)nc2)ccc1F,ANXMGTZTLRDIOB-UHFFFAOYSA-N
-rxn:4:219964:223637,Cc1cncnc1N1CCN(C(=O)c2cc(-c3ccccc3C3CCCN(C(=O)OC(C)(C)C)C3)ccc2Cl)CC1,BYKASRQBISULFV-UHFFFAOYSA-N
-rxn:4:219988:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2cnc(N3CCCC(C(=O)N4CCOCC4)C3)nc2)CC1,BSDAZKFWHLBBOX-UHFFFAOYSA-N
-rxn:4:219988:226231,CCCCOc1ncc(-c2cnc(N3CCCC(C(=O)N4CCOCC4)C3)nc2)cc1C,ADCFCAQYVXMSRT-UHFFFAOYSA-N
-rxn:4:219988:226844,O=C(C1CCCN(c2ncc(-c3ccnc(C(=O)C(F)(F)F)c3)cn2)C1)N1CCOCC1,QHNGLZJAYZKGFI-UHFFFAOYSA-N
-rxn:4:219995:222537,c1cc(-c2cc(C3CCCC3)nc(C3CCCNC3)c2)cc(N2CCN(c3ccnc(C4CC4)n3)CC2)c1,WWZSJXDFNZYYPL-UHFFFAOYSA-N
-rxn:4:220041:223818,CC(C)(C)OC(=O)N1CCn2nnc(-c3c(F)cc(F)c4c3ccn4C(=O)OC(C)(C)C)c2C1,SXVOROOWZHVDFM-UHFFFAOYSA-N
-rxn:4:220049:223928,CC(C)(C)OC(=O)N1CCc2ncc(-c3cn(CCN4CCOCC4)c4ncnc(Cl)c34)cc2C1,ZWKAAXFDEBZHPI-UHFFFAOYSA-N
-rxn:4:220134:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1ccccc1S(=O)(=O)N1C2CCC1CC(n1ccnn1)C2,GSPQICYXERSRAT-UHFFFAOYSA-N
-rxn:4:220137:225080,COC(=O)C1CCc2cc(-c3ccc4nc(N5CCN(S(=O)(=O)C6CC6)CC5)ncc4c3)ccc2O1,CZSZPNTYWOIGTR-UHFFFAOYSA-N
-rxn:4:220149:226844,O=C(C1CC(=O)N(c2[nH]nc3cc(-c4ccnc(C(=O)C(F)(F)F)c4)ccc23)C1)N1CCOCC1,LQYHBIZRKBUVSJ-UHFFFAOYSA-N
-rxn:4:220150:222621,CC(C)Cc1cc(-c2ccc3c(N4CC(C(=O)N5CCSCC5)CC4=O)[nH]nc3c2)cc(C2CCCNC2)n1,JUPDUWMXSYUDGV-UHFFFAOYSA-N
-rxn:4:220150:223179,CONC(=O)c1cc(-c2ccc3c(N4CC(C(=O)N5CCSCC5)CC4=O)[nH]nc3c2)ccc1F,PGZBAVQABGPCOU-UHFFFAOYSA-N
-rxn:4:220150:226844,O=C(C1CC(=O)N(c2[nH]nc3cc(-c4ccnc(C(=O)C(F)(F)F)c4)ccc23)C1)N1CCSCC1,VPXMGQNGGWRHTJ-UHFFFAOYSA-N
-rxn:4:220226:226844,O=C(C1CCCN(c2ncc3cc(-c4ccnc(C(=O)C(F)(F)F)c4)ccc3n2)C1)N1CCOCC1,FRRUAPFJKDUSFY-UHFFFAOYSA-N
-rxn:4:220239:224421,CC(C)c1cc(C(C)C)c(-c2c3c(nn2Cc2ccccc2)C(=O)N([C@H]2COc4ccccc4N(C)C2=O)CC3)c(C(C)C)c1,CKQCOEWJTRSDMC-YTTGMZPUSA-N
-rxn:4:220935:223530,CC(C)(C)OC(=O)N1CCN(Cc2ccc(F)cc2-c2cnc3ccc(N4CCOCC4)nn23)CC1,PCZJRAAFYUMSBV-UHFFFAOYSA-N
-rxn:4:221105:226844,CCn1cc(S(=O)(=O)N2CCCC(COc3ncc(-c4ccnc(C(=O)C(F)(F)F)c4)cn3)C2)nc1C,KYWKSKMRYAQQMB-UHFFFAOYSA-N
-rxn:4:221111:226844,O=C(C1CC(=O)N(c2cccc(-c3ccnc(C(=O)C(F)(F)F)c3)c2)C1)N1CCN(CCn2ccnc2)CC1,DIDJJZHRFUABGE-UHFFFAOYSA-N
-rxn:4:221112:223279,CCOc1ccc(-c2cnc(C3CCCN3)nc2)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N(C)C)n2)CC1,GRNIXFHWLDNJPG-UHFFFAOYSA-N
-rxn:4:221112:226844,CCOc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N(C)C)n2)CC1,RHODJROVQOWRNR-UHFFFAOYSA-N
-rxn:4:221114:226352,CCOc1ccc(-c2cc(C)c(OC(C)C)cc2Cl)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N3CCCC3)n2)CC1,GIAWZGRGRWPTGU-UHFFFAOYSA-N
-rxn:4:221116:226677,CCOc1ccc(-c2ccc(Cl)cc2-n2ccnc2)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N3CCCCC3)n2)CC1,NVJIWEJPHYMHCH-UHFFFAOYSA-N
-rxn:4:221121:226844,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccnc(C(=O)C(F)(F)F)c5)ccc43)CC2)CC1,CMEMYPRTVXGRSE-UHFFFAOYSA-N
-rxn:4:221126:225158,CCOC(=O)C1CCCN(c2nc3c(S(=O)(=O)c4ccc(-c5ccc(C(=O)N6CCSCC6)cc5)cc4)nnn3c3ccsc23)C1,HRTWZOLWHCMKJA-UHFFFAOYSA-N
-rxn:4:221159:222723,Cc1nc(CN2CCC(COc3ncc(-c4cccc(NS(=O)(=O)N5CCOCC5)c4)cn3)CC2)no1,VNEALPLTJYXBAD-UHFFFAOYSA-N
-rxn:4:221172:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnc(OCC4CCN(C(=O)c5ccc(=O)n(C)n5)CC4)nc3)c(F)c2)CC1,YAPLQULXRGAMEH-ALOJWSFFSA-N
-rxn:4:221175:223179,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4ccc(F)c(C(=O)NOC)c4)cn3)C2)C(=O)C1=O,UIPJZZVBCAIHBO-UHFFFAOYSA-N
-rxn:4:221175:226844,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4ccnc(C(=O)C(F)(F)F)c4)cn3)C2)C(=O)C1=O,IEWNECWVKBWGOS-UHFFFAOYSA-N
-rxn:4:221179:222540,O=C(NCCN1CCCCC1)c1cccc(-c2cnc(OCC3CCCN(c4ccnc(C5CC5)n4)C3)nc2)c1,XWDYSHXRMCOMSM-UHFFFAOYSA-N
-rxn:4:221182:223279,COCCN1C(=O)CN(C2CCN(c3ncc(-c4cnc(C5CCCN5)nc4)cn3)CC2)C1=O,XGBMPCNJPRXEKW-UHFFFAOYSA-N
-rxn:4:221189:222633,CC(C)(C)c1ccc(OCC2CCN(c3ncc(-c4ccc(C(=O)NCCN5CCCC5)cc4)cn3)C2)nn1,MZEJWMBMNKYGQF-UHFFFAOYSA-N
-rxn:4:221194:223084,CC(C)c1nc(S(=O)(=O)N2CCC(Oc3ncc(-c4cnc(N5CCC(O)CC5)nc4)cn3)CC2)cn1C,UBGOAAXCUXQKTJ-UHFFFAOYSA-N
-rxn:4:221206:226844,O=C(c1cc(-c2ccc(CCN3CCN(c4cc(N5CCOCC5)ncn4)CC3)cc2)ccn1)C(F)(F)F,SDRPJBRPEYYAJB-UHFFFAOYSA-N
-rxn:4:221208:226844,Cc1cc(N2CCN(CCc3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3)CC2)nc(N2CCOCC2)n1,UTJRTUMPKGCJQT-UHFFFAOYSA-N
-rxn:4:221232:222707,CC(C)(C)OC(=O)NCc1nccc(-c2cnc(OCC3CCCN(c4nc5c(cc4C#N)COCC5)C3)nc2)c1F,REHUHKXEHVIBGD-UHFFFAOYSA-N
-rxn:4:221232:223179,CONC(=O)c1cc(-c2cnc(OCC3CCCN(c4nc5c(cc4C#N)COCC5)C3)nc2)ccc1F,UVQNRQOXRCPWCU-UHFFFAOYSA-N
-rxn:4:221238:222714,CC(C)(C)OC(=O)Nc1cc(F)c(F)c(-c2cccc(N3CCN(CCCn4nc5ccccn5c4=O)CC3)c2)c1,FEAVSDHCAOWGMK-UHFFFAOYSA-N
-rxn:4:221247:226844,Cn1c(=O)c2c(SCC(=O)N3CCOCC3)nc(-c3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3)nc2n(C)c1=O,VGLFNUUKJTVPPT-UHFFFAOYSA-N
-rxn:4:221249:223009,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc4c(-c5cc(Cl)cc(C6CCNCC6)c5)cnn4c3)cc2)CC1,MRMDOMCHMRTNDC-UHFFFAOYSA-N
-rxn:4:221269:223179,CCOC(=O)Cn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3ccc(F)c(C(=O)NOC)c3)cc2)n(C)c1=O,UJTHUTFPYNWPRC-UHFFFAOYSA-N
-rxn:4:221369:222716,Cn1nc(C(=O)N2CCCC(Oc3ncc(-c4ccc(S(=O)(=O)NC5CCCC5)c(F)c4)cn3)C2)ccc1=O,OMPWEONCMATCOF-UHFFFAOYSA-N
-rxn:4:221380:223179,CONC(=O)c1cc(-c2cncc(C(=O)N3CCC(n4nc(C(F)(F)F)n(C)c4=O)CC3)c2)ccc1F,KKTVHTJFSVXCKM-UHFFFAOYSA-N
-rxn:4:221413:225891,COc1cc(-c2ccc(C(=O)N3CCN(c4cc(N5CCOCC5)ncn4)CC3)o2)cnc1C(OC)OC,GXUGOVXODDVOLE-UHFFFAOYSA-N
-rxn:4:221416:223179,CONC(=O)c1cc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCCCC5)nn4)CC3)o2)ccc1F,UXQNIJSDLIOFMN-UHFFFAOYSA-N
-rxn:4:221421:226844,O=C(c1cccc(-c2ccnc(C(=O)C(F)(F)F)c2)c1)N1CCN(c2ccc(N3CCOCC3)nn2)CC1,ZUVAINKJQDMCRV-UHFFFAOYSA-N
-rxn:4:221422:223179,CONC(=O)c1cc(-c2ccc(Cl)c(C(=O)N3CCN(c4ccc(N5CCOCC5)nn4)CC3)c2)ccc1F,NBDGMCVQWJXKKJ-UHFFFAOYSA-N
-rxn:4:221427:222957,Cc1cc(-c2ccccc2CN2CCN(c3cc(N4CCOCC4)ncn3)CC2)cc(C2CCCNC2)c1,ODPPCBWYXCHCSR-UHFFFAOYSA-N
-rxn:4:221434:226844,O=C(c1ccccc1-c1ccnc(C(=O)C(F)(F)F)c1)N1CCN(c2ccc(N3CCCCC3)nn2)CC1,PXHPEDFOVWNZOQ-UHFFFAOYSA-N
-rxn:4:221436:226844,O=C(c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1)N1CCN(c2ccc(N3CCCCC3)nn2)CC1,YANIAPHMSCNUSS-UHFFFAOYSA-N
-rxn:4:221439:226844,O=C(c1cc(-c2ccnc(C(=O)C(F)(F)F)c2)ccc1Cl)N1CCN(c2ccc(N3CCCCC3)nn2)CC1,DOKFHCIDTNOHNX-UHFFFAOYSA-N
-rxn:4:221442:226844,Cc1nc(N2CCOCC2)cc(N2CCN(Cc3ccccc3-c3ccnc(C(=O)C(F)(F)F)c3)CC2)n1,QEJALBTZXKIICE-UHFFFAOYSA-N
-rxn:4:221443:223179,CONC(=O)c1cc(-c2cccc(CN3CCN(c4cc(N5CCOCC5)nc(C)n4)CC3)c2)ccc1F,OBGHNCXTNDQCSU-UHFFFAOYSA-N
-rxn:4:221446:226844,Cc1cc(N2CCOCC2)nc(N2CCN(Cc3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3)CC2)n1,HREKFSSOUQTTHN-UHFFFAOYSA-N
-rxn:4:221454:223179,CONC(=O)c1cc(-c2ccccc2C(=O)N2CCN(c3ccc(N4CCCCCC4)nn3)CC2)ccc1F,AHOCWDHKOWXFEL-UHFFFAOYSA-N
-rxn:4:221498:222948,CC(C)(C)OC(=O)N1CCN(c2ncnc3[nH]cc(-c4cnc(N5CCC(O)CC5)nc4Cl)c23)CC1,SHJZNDFWAUKJLN-UHFFFAOYSA-N
-rxn:4:221507:222583,O=C(NCCN1CCOCC1)c1ccc(-c2cnc(OCC3CCCN(c4ncnc5c4CCC5)C3)nc2)cc1,VULJIASSYZVJJF-UHFFFAOYSA-N
-rxn:4:221528:224687,CC(C)c1sc(-c2cc(F)cc(CN3CCC(=O)CC3)c2)nc1C(=O)N1CCN(c2nc3ccccc3n2C)CC1,KPFBCVLIVPJZQZ-UHFFFAOYSA-N
-rxn:4:221539:226844,CC1CN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2)CC(C)O1,ADOZMOJFVHXMTG-UHFFFAOYSA-N
-rxn:4:221562:223945,Cn1c(=O)c2c(nc3n2CCN3c2cccc(OCc3ccc(-c4ccc(OCCCN5CCOCC5)c(F)c4)cc3)c2)n(C)c1=O,FOCYLDBJIJKSBG-UHFFFAOYSA-N
-rxn:4:221564:224827,CCCCn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3cc(OC(F)(F)F)ccc3C(=O)OC)cc2)n(C)c1=O,WSXCPZNCWCBSBY-UHFFFAOYSA-N
-rxn:4:221639:223576,Cc1ccc(=O)n(CC2CCN(c3ncc(-c4cccc(OC5CCN(C(=O)OC(C)(C)C)CC5)c4)cn3)CC2)n1,HWPJKQQMDQOLNL-UHFFFAOYSA-N
-rxn:4:221642:228193,O=C1CN(C2CCN(c3ncc(-c4cnn(C5CCCC5)c4)cn3)CC2)C(=O)N1C1CC1,PAEMJFBUIRHFDR-UHFFFAOYSA-N
-rxn:4:221702:222546,Cn1c(=O)c2c(nc(-c3ccc(OCCNC4CCCCC4)c(F)c3)n2CCN2CCOCC2)n(C)c1=O,HDXFKAAGDREEOS-UHFFFAOYSA-N
-rxn:4:221792:223179,CONC(=O)c1cc(-c2ccc(Cn3c(=O)c4c(nc5n4CC(C)CN5C4CCCCC4)n(C)c3=O)cc2)ccc1F,YUCNTQTVCLFIIE-UHFFFAOYSA-N
-rxn:4:221925:223179,CCOc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccccc5-c5ccc(F)c(C(=O)NOC)c5)no4)C3C2=O)cc1,JILUPGNISBWNQV-UHFFFAOYSA-N
-rxn:4:221938:224687,Cn1cc(C(=O)N2CCCC(COc3ncc(-c4cc(F)cc(CN5CCC(=O)CC5)c4)cn3)C2)nn1,LDCDCCRYHATFAJ-UHFFFAOYSA-N
-rxn:4:221967:223582,COC(=O)c1ccc2cc(-c3ccc(-n4nnc5c(=O)n(C(C(C)=O)C(=O)N(C)C)cnc54)cc3)n(C(=O)OC(C)(C)C)c2c1,KQJVEUSTHLHGRP-UHFFFAOYSA-N
-rxn:4:221975:222952,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(NC(=O)C(F)(F)F)c6F)cc5)no4)C3C2=O)cc1,IBHVPDIEMLUEAK-UHFFFAOYSA-N
-rxn:4:221977:224061,CCCC1CCC(c2ccc(-c3cnc(OCC4CCCN(c5nccn6nc(C7CC7)cc56)C4)nc3)c(F)c2)CC1,VHXSLYVQYADUHV-UHFFFAOYSA-N
-rxn:4:221978:224607,C[Si](C)(C)CCOC(=O)c1ccc(-c2cnc(N3CCC(COc4ccc5nc(C6CC6)cn5n4)CC3)nc2)cc1,QYLXSZDLKJKXGW-UHFFFAOYSA-N
-rxn:4:221983:223179,CONC(=O)c1cc(-c2c(CN3CCN(c4ccc(C(F)(F)F)cc4[N+](=O)[O-])CC3)nc3nc(C)cc(C)n23)ccc1F,ISLSFZBMLZJNCG-UHFFFAOYSA-N
-rxn:4:221983:226844,Cc1cc(C)n2c(-c3ccnc(C(=O)C(F)(F)F)c3)c(CN3CCN(c4ccc(C(F)(F)F)cc4[N+](=O)[O-])CC3)nc2n1,SKKYRSQHZFOVAN-UHFFFAOYSA-N
-rxn:4:221986:226844,CCN1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2)CC1,FUPXCNGRHQUJBN-UHFFFAOYSA-N
-rxn:4:222039:226844,O=C(c1cc(-c2ccnc(C(=O)C(F)(F)F)c2)ccc1-n1cnnn1)N1CCN(C2CCS(=O)(=O)C2)CC1,CNTWDBRGTBMOHZ-UHFFFAOYSA-N
-rxn:4:222054:223179,CONC(=O)c1cc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCN(C)CC5)nn4)CC3)o2)ccc1F,JBGRYBVKZOINMI-UHFFFAOYSA-N
-rxn:4:222054:223239,CN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cncc(C6CCCN6)c5)o4)CC3)nn2)CC1,KHVURBDGSDCMRK-UHFFFAOYSA-N
-rxn:4:222062:222860,CCCCNC(=O)c1ccc(F)c(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCN(C)CC5)n4)CC3)cc2)c1,FWRWTELUTDNPFC-UHFFFAOYSA-N
-rxn:4:222062:223279,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cnc(C5CCCN5)nc4)cc3)CC2)n1,SOINMPMARLJFAF-UHFFFAOYSA-N
-rxn:4:222062:224820,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccc(S(=O)(=O)N5CCOCC5)c4)cc3)CC2)n1,NUTVWTCPOWNOOV-UHFFFAOYSA-N
-rxn:4:222108:225917,CCOC(=O)c1cc(F)c(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(F)c6)C(=O)C54)n3)cc2)c(F)c1,ZAQVNPMGHXMIHR-UHFFFAOYSA-N
-rxn:4:222124:223179,CONC(=O)c1cc(-c2cccc(-c3noc(CN4N=NC5C(=O)N(c6ccc7c(c6)CCC7)C(=O)C54)n3)c2)ccc1F,UBHPLRLOBMIOOW-UHFFFAOYSA-N
-rxn:4:222138:226844,Cn1c(=O)n(CCN2CCOCC2)c(=O)c2c1nc1n2CCCN1c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1,QNGKDCTXKNVUPG-UHFFFAOYSA-N
-rxn:4:222143:223179,CONC(=O)c1cc(-c2ccc(N3CCCn4c3nc3c4c(=O)n(CCN4CCCCC4)c(=O)n3C)cc2)ccc1F,ZABJSVXKIDZNNP-UHFFFAOYSA-N
-rxn:4:222143:223279,Cn1c(=O)n(CCN2CCCCC2)c(=O)c2c1nc1n2CCCN1c1ccc(-c2cnc(C3CCCN3)nc2)cc1,DAXDLDNDAZFSET-UHFFFAOYSA-N
-rxn:4:222192:222853,OC1CCN(Cc2ccc(-c3cnc(N4CCN(c5nc(C6CC6)nc6c5CCC6)CC4)nc3)cc2)CC1,HYRHOEBZXTYZGA-UHFFFAOYSA-N
-rxn:4:222194:224782,CN1CCN(c2cc(-c3cnc(N4CCN(c5nc(C(C)(C)C)nc6c5CCC6)CC4)nc3)cc(F)c2F)CC1,JUNVUDIETYMEGX-UHFFFAOYSA-N
-rxn:4:222255:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3cnc(N4CCC(COc5ccc6nnc(C7CC7)n6n5)C4)nc3)c2)CC1,PCKLQPVASYEIRO-UHFFFAOYSA-N
-rxn:4:222289:223728,CCCCCC1CCC(c2ccc(-c3cnc(N4CCC(Cn5nc(-n6cccn6)ccc5=O)CC4)nc3)c(F)c2)CC1,XOTRJVMEHLJGNN-UHFFFAOYSA-N
-rxn:4:222307:225306,CCc1nnc2ccc(N3CC4CN(C(=O)c5cncc(-c6c(OC)cc(F)c([Si](C)(C)C)c6F)c5)CC4C3)nn12,ICFGSFILSMUCBI-UHFFFAOYSA-N
-rxn:4:222332:222813,CC(C)(C)OC(=O)Nc1ncc(-c2cnc(N3CCN(c4cc(N5CCOCC5)ncn4)CC3)nc2)cc1Cl,KKIPXIWFELSZNX-UHFFFAOYSA-N
-rxn:4:222337:225428,CCCCC(=O)c1ccc(-c2cnc(N3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)nc2)c(C)c1,KTRKPZIIUCHANJ-UHFFFAOYSA-N
-rxn:4:222339:223179,CONC(=O)c1cc(-c2cncc(N3CCN(c4cc(N5CCN(C)CC5)nc(C)n4)CC3)c2)ccc1F,OMXCBBGYZBQWEW-UHFFFAOYSA-N
-rxn:4:222363:223279,Cc1cc(CN2CCN(c3c(-c4cnc(C5CCCN5)nc4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,RPHTWIAYTWESOE-UHFFFAOYSA-N
-rxn:4:222523:176516,CC(C)(C)NS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)cc(F)c2C(=O)C(F)F)c(C(F)(F)F)c1,MVADQBJSCYPHFD-UHFFFAOYSA-N
-rxn:4:222580:204054,O=C(c1ccc(-c2ccc(S(=O)(=O)NC3CC3)c3ccccc23)o1)N1CCCN(C2CCOC2)CC1,TTWGJYQBUPQDHI-UHFFFAOYSA-N
-rxn:4:222602:194854,CC(C)Cc1cc(-c2cc(C(C)(C)C)cc3c2[nH]c2ccc(C(C)(C)C)cc23)c(S(=O)(=O)NC(C)(C)C)s1,UYMUXRVJGATZPO-UHFFFAOYSA-N
-rxn:4:222621:207959,Cc1ccc(C2=NN3C(C2)c2cc(-c4cc(CC(C)C)nc(C5CCCNC5)c4)ccc2OC3C2CCCCC2)cc1,CXKOBGMCTWQGMA-UHFFFAOYSA-N
-rxn:4:222712:174656,CC(C)[Si](C#Cc1cccc2cccc(-c3ccc(NC(=O)OC(C)(C)C)c(F)c3F)c12)(C(C)C)C(C)C,ZSDABJFOLIZCQX-UHFFFAOYSA-N
-rxn:4:222821:215058,CC(C)(C)NS(=O)(=O)c1cc(-c2cnc3n2CCN(C(=O)OC(C)(C)C)C3)ccc1F,OAZJENSPDHXMEW-UHFFFAOYSA-N
-rxn:4:222910:204683,CCCNS(=O)(=O)c1ccc(-c2cnc3c(c2)N(C(=O)OC(C)(C)C)CC3(C)C)c(C)c1,OOGDIKXSFASKFG-UHFFFAOYSA-N
-rxn:4:222960:215300,Cc1cc(-c2ccc3c(c2)C2CC(c4ccco4)=NN2C2(CCN(Cc4ccccc4)CC2)O3)cc(C2CCNCC2)c1,QJLNFAXVYVELGX-UHFFFAOYSA-N
-rxn:4:223060:218590,N#Cc1ccccc1S(=O)(=O)N1CCCC(COc2ncc(-c3cc(Cl)nc(C4CCNCC4)c3)cn2)C1,STAJZDFYJBVPSL-UHFFFAOYSA-N
-rxn:4:223080:214147,CC(C)NS(=O)(=O)c1ccc(-c2nc(C(F)(F)F)c3n2CCN(C(=O)OC(C)(C)C)C3)cc1,BYFBGXKCVOWKHS-UHFFFAOYSA-N
-rxn:4:223082:187668,CNS(=O)(=O)c1c(C)cc(-c2ccc(C3CCN(C(=O)OC(C)(C)C)CC3C)cc2)cc1C,FAQHLDYOAFKPCJ-UHFFFAOYSA-N
-rxn:4:223102:187572,CC(C)(C)NS(=O)(=O)c1sccc1-c1ccc(C2CCCN(C(=O)OC(C)(C)C)C2)cc1,PZKBMIHMPXOPQA-UHFFFAOYSA-N
-rxn:4:223540:194058,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1cc2c(OS(=O)(=O)[O-])c[nH]c2cc1Cl,RXCDQECODWYRIY-UHFFFAOYSA-M
-rxn:4:223570:174009,COC(=O)C(C(C)=O)C(=O)c1ccc(-c2c(F)ncc3c2ccn3[Si](C(C)C)(C(C)C)C(C)C)cc1,ZOYQPKXGSQUVRV-UHFFFAOYSA-N
-rxn:4:223570:176121,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3cc(C(=O)OC(C)(C)C)cc(-c4cccc(F)c4F)c3)c(F)ncc21,CZGXRRLNDLEYFY-UHFFFAOYSA-N
-rxn:4:223570:187941,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3cccc4cc([Si](C)(C)C)n(C(=O)OC(C)(C)C)c34)c(F)ncc21,JTGVRVMSXWALIJ-UHFFFAOYSA-N
-rxn:5:176590:223062:225943,CCOC(=O)c1c(-c2ccc(C(=O)N3CCOCC3)s2)cccc1-c1cnc(C2CCNCC2)cc1F,VJYJKAYHARCBIN-UHFFFAOYSA-N
-rxn:5:176865:225976:225976,COC(=O)c1cc(-c2ccnc(N3CCOCC3)c2F)cc(OC)c1-c1ccnc(N2CCOCC2)c1F,VSCUCVMUIOJRSZ-UHFFFAOYSA-N
-rxn:5:177183:226662:223062,CCOC(=O)c1cc(C)c(-c2cnc(C3CCNCC3)cc2F)c(-c2ccc(N3CCN(C)CC3)s2)c1,MBIQJVDLMSHXIB-UHFFFAOYSA-N
-rxn:5:177185:223062:225507,COC(=O)C1CCc2cc(-c3ccc(-c4cnc(C5CCNCC5)cc4F)cc3C(=O)OC(C)C)ccc21,XADZMWVUWZTWIW-UHFFFAOYSA-N
-rxn:5:177185:223062:225982,CC(C)OC(=O)c1cc(-c2cnc(C3CCNCC3)cc2F)ccc1-c1cnc(N2CCOCC2)cc1F,SWQLXRJMECOSSJ-UHFFFAOYSA-N
-rxn:5:177185:223063:223018,CC(C)OC(=O)c1cc(-c2cc(F)nc(C3CCNCC3)c2)ccc1-c1ccc2c(c1)NC(=O)C(C)(C)O2,SYKWVUJTEBJEJI-UHFFFAOYSA-N
-rxn:5:177191:222998:225601,N#CC1(c2ccc(-c3ccc(CC(=O)C4CC4)c(-c4cc(F)cc(C5CCCNC5)c4)c3)c(F)c2)CCC1,OEEJGDWLQSVUAB-UHFFFAOYSA-N
-rxn:5:177191:225603:223002,N#CC1(c2cccc(-c3cc(-c4ccc(C5CCNCC5)cc4F)ccc3CC(=O)C3CC3)c2F)CCC1,AFGSQLJCRLEMGM-UHFFFAOYSA-N
-rxn:5:177448:225451:225453,COc1ccc(-c2ccc(SC3CCCCC3)cc2)c(OC(C)C)c1-c1cccc(SC2CCCCC2)c1,JRSZPUISAFKKTL-UHFFFAOYSA-N
-rxn:5:177729:223242:223054,CC(c1ccc(-c2cc(-c3ccnc(C4CCNC4)c3)ccc2C(=O)OC(C)(C)C)s1)N1CCC(O)C1,MCKLEJHUQBTTEL-UHFFFAOYSA-N
-rxn:5:177729:223294:225976,CC(C)(C)OC(=O)c1ccc(-c2csc(N3CCNCC3)n2)cc1-c1ccnc(N2CCOCC2)c1F,RKWIYRJDTSIKPW-UHFFFAOYSA-N
-rxn:5:177731:225833:226794,CC(C)(C)OC(=O)c1ccc(-c2cnc(N3CCSCC3)nc2)cc1-c1ccnc(N2CCCCC2)c1F,SBTKLHWCZQZMDU-UHFFFAOYSA-N
-rxn:5:177732:225638:226661,CC1CCN(c2ccc(-c3ccc(C(=O)OC(C)(C)C)cc3-c3cc(N4CCN(C)CC4)cs3)cn2)CC1,XGRYKDBDECPBES-UHFFFAOYSA-N
-rxn:5:177733:225849:226663,CC(C)(C)OC(=O)c1cc(-c2ccc(N3CCSCC3)nc2)cc(-c2cnc(N3CCCCC3)cc2F)c1,OIWYHQQSYQNMBX-UHFFFAOYSA-N
-rxn:5:177733:225976:226663,CC(C)(C)OC(=O)c1cc(-c2ccc(N3CCSCC3)nc2)cc(-c2ccnc(N3CCOCC3)c2F)c1,KTVXSUUUGZVAFB-UHFFFAOYSA-N
-rxn:5:177736:225633:226663,CC(C)(C)OC(=O)c1ccc(-c2ccc(N3CCSCC3)nc2)c(-c2ccc(N3CCCCCC3)nc2)c1,HJQFXJASUDTBGU-UHFFFAOYSA-N
-rxn:5:177736:225849:226663,CC(C)(C)OC(=O)c1ccc(-c2ccc(N3CCSCC3)nc2)c(-c2cnc(N3CCCCC3)cc2F)c1,AKFTXDZUPQKBBT-UHFFFAOYSA-N
-rxn:5:177736:225849:226794,CC(C)(C)OC(=O)c1ccc(-c2cnc(N3CCSCC3)nc2)c(-c2cnc(N3CCCCC3)cc2F)c1,MTBIOJUNHWXTRI-UHFFFAOYSA-N
-rxn:5:177736:225976:226663,CC(C)(C)OC(=O)c1ccc(-c2ccc(N3CCSCC3)nc2)c(-c2ccnc(N3CCOCC3)c2F)c1,JFHMNGNWGQBZHO-UHFFFAOYSA-N
-rxn:5:177737:225407:226146,CC(C)(C)OC(=O)c1cc(-c2ccc(SC3CCCC3)cc2)ccc1-c1ccc(C2CCCCCC2)cc1,ZNXNVSIVTNFTIF-UHFFFAOYSA-N
-rxn:5:177739:225833:226663,CC(C)(C)OC(=O)c1cccc(-c2ccnc(N3CCCCC3)c2F)c1-c1ccc(N2CCSCC2)nc1,YPDDTXDNLXVWOQ-UHFFFAOYSA-N
-rxn:5:177850:225986:227426,CCOc1ccc(-c2ccccc2N2CCCS2(=O)=O)c(C2OCCO2)c1-c1ccc(C2CCCO2)nc1,GWHJURJYYMAUCW-UHFFFAOYSA-N
-rxn:5:177891:225784:225638,CC1CCN(c2ccc(C3CS(=O)(=O)CC3SC(=O)c3ccccc3-c3ccc(CN4CCOCC4)nc3)cn2)CC1,GZQHRGBGZOMNCU-UHFFFAOYSA-N
-rxn:5:177891:226084:227758,O=C1CCCCc2ccc(-c3ccccc3C(=O)SC3CS(=O)(=O)CC3c3cc(F)ccc3C(F)(F)F)cc21,SDOYOYWWNDCZME-UHFFFAOYSA-N
-rxn:5:177891:226583:227626,O=C(SC1CS(=O)(=O)CC1c1cnc(C2CCOC2)nc1)c1ccccc1-c1ccc(CN2CCOCC2)s1,GKCQUYBWYHOHDO-UHFFFAOYSA-N
-rxn:5:177891:226645:226644,O=C(SC1CS(=O)(=O)CC1c1cncc(N2CCOCC2)c1)c1ccccc1-c1ccnc(N2CCOCC2)c1,OMPRPKBFRISQNR-UHFFFAOYSA-N
-rxn:5:177891:227517:225640,CC1CCCCN1c1cc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2ccc(OC3COC3)nc2)ccn1,OHIWUUSFSGRCAT-UHFFFAOYSA-N
-rxn:5:177891:227656:225803,O=C(SC1CS(=O)(=O)CC1c1ccnc(OC2CCOCC2)c1)c1ccccc1-c1cc(N2CCOCC2)cs1,LOMZSSWVZNZPEU-UHFFFAOYSA-N
-rxn:5:177891:227656:227295,O=C(SC1CS(=O)(=O)CC1c1ccnc(OC2CCC2)c1)c1ccccc1-c1cc(N2CCOCC2)cs1,JBGCISDWEAYQMG-UHFFFAOYSA-N
-rxn:5:178118:225452:227568,COc1cc(F)c(-c2ccc(-c3ccc(OC4C=CCCC4)cc3)c(OCC3CCCCO3)c2)c(OC)c1,MINVWQUNDIZRKM-UHFFFAOYSA-N
-rxn:5:178118:227587:225499,COc1cc(-c2ccc(-c3ccc(C4CCCCC4)cc3F)cc2OCC2CCCCO2)cc(F)c1OC,UGNIZKJAHMWKIH-UHFFFAOYSA-N
-rxn:5:178119:227045:225450,Cc1cc(C(=O)OC(C)(C)C)cc(-c2cccc(SC(C)(C)C)c2)c1-c1ccc(C(=O)C2CCCC2)cc1,RKZPIHBHGMGTMV-UHFFFAOYSA-N
-rxn:5:178120:226841:223142,COc1cc(-c2cccc(OCC3CCOCC3)c2-c2ccc(C3CCCNC3)nc2)cnc1C(F)(F)F,BDNJTIQCFPGLNI-UHFFFAOYSA-N
-rxn:5:178224:223000:227804,O=[N+]([O-])c1cc(-c2cc(OCC3CCCCC3)cc(-c3ccc(C4CCCNC4)c(F)c3)c2)c([N+](=O)[O-])s1,BUZOIYGREIUZCI-UHFFFAOYSA-N
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-rxn:5:178467:226844:226794,CCOC(=O)C1=Cc2cc(-c3cnc(N4CCSCC4)nc3)cc(-c3ccnc(C(=O)C(F)(F)F)c3)c2OC1,IYRQAFMDKFRPTK-UHFFFAOYSA-N
-rxn:5:178467:227020:223058,CCOC(=O)C1=Cc2cc(-c3cc(F)nc(C4CCCNC4)c3)cc(-c3cncc(C#CC4CC4)c3)c2OC1,FUJGPJQLNRSLRK-UHFFFAOYSA-N
-rxn:5:178467:227020:225834,CCOC(=O)C1=Cc2cc(-c3cc(N4CCCCC4)ncc3F)cc(-c3cncc(C#CC4CC4)c3)c2OC1,PYLKTRQBHLLHKU-UHFFFAOYSA-N
-rxn:5:178467:227375:223061,CCOC(=O)C1=Cc2cc(-c3cc(C4CCNCC4)ncc3F)cc(-c3ccc(N4CCCC4)nc3)c2OC1,RUHCXSRGNXEHFR-UHFFFAOYSA-N
-rxn:5:178467:227376:223061,CCOC(=O)C1=Cc2cc(-c3cc(C4CCNCC4)ncc3F)cc(-c3cncc(N4CCCC4)c3)c2OC1,UMNXUOZXDDBEBE-UHFFFAOYSA-N
-rxn:5:178467:227376:223062,CCOC(=O)C1=Cc2cc(-c3cnc(C4CCNCC4)cc3F)cc(-c3cncc(N4CCCC4)c3)c2OC1,TYXSDSDDTWYDAN-UHFFFAOYSA-N
-rxn:5:178467:227379:223061,CCOC(=O)C1=Cc2cc(-c3cc(C4CCNCC4)ncc3F)cc(-c3cccnc3N3CCCC3)c2OC1,HMEPXCILYDPNRC-UHFFFAOYSA-N
-rxn:5:178467:227387:223061,CCOC(=O)C1=Cc2cc(-c3cc(C4CCNCC4)ncc3F)cc(-c3ccnc(N4CCCC4)c3)c2OC1,CCVLBCUEJJPZQH-UHFFFAOYSA-N
-rxn:5:178467:227408:226794,CCOC(=O)C1=Cc2cc(-c3cnc(N4CCSCC4)nc3)cc(-c3cc(C4CCC4)ncc3F)c2OC1,PWFFYDIYFGFDAV-UHFFFAOYSA-N
-rxn:5:178467:227413:226794,CCOC(=O)C1=Cc2cc(-c3cnc(N4CCSCC4)nc3)cc(-c3cnc(C4CCC4)cc3F)c2OC1,MMNGINJKMXGCRE-UHFFFAOYSA-N
-rxn:5:178467:227507:223138,CCOC(=O)C1=Cc2cc(-c3ccnc(C4CCNCC4)c3)cc(-c3cccc(C=C[N+](=O)[O-])c3)c2OC1,RRGDSJHKZOANCS-UHFFFAOYSA-N
-rxn:5:178467:227954:223061,CCOC(=O)C1=Cc2cc(-c3cc(C4CCNCC4)ncc3F)cc(-c3ccc(C4CCC4)nc3)c2OC1,BGVWXKCJACCWKJ-UHFFFAOYSA-N
-rxn:5:178467:227958:223061,CCOC(=O)C1=Cc2cc(-c3cc(C4CCNCC4)ncc3F)cc(-c3ccnc(C4CCC4)c3)c2OC1,SPWGYNKVRFMJAO-UHFFFAOYSA-N
-rxn:5:178467:227972:223061,CCOC(=O)C1=Cc2cc(-c3cc(C4CCNCC4)ncc3F)cc(-c3cncc(C4CCC4)c3)c2OC1,NLTOIHJRYDCFAW-UHFFFAOYSA-N
-rxn:5:178467:228245:223061,CCOC(=O)C1=Cc2cc(-c3cc(C4CCNCC4)ncc3F)cc(-c3ccc(C(C)=O)c(F)c3)c2OC1,KYPWUKOYMPLKEN-UHFFFAOYSA-N
-rxn:5:178467:228317:223061,CCOC(=O)C1=Cc2cc(-c3cc(C4CCNCC4)ncc3F)cc(-c3ccc(C(=O)OC)nc3)c2OC1,UKAIXHSDDUEZBK-UHFFFAOYSA-N
-rxn:5:179418:225587:225805,CC(c1ccc(-c2ccc(CS(C)(=O)=O)cc2-c2cccc(CN3CCOCC3)c2)s1)N1CCOCC1,YFQLDBUREWCMRM-UHFFFAOYSA-N
-rxn:5:180021:226425:225985,COc1c(-c2cccc(N3CCCS3(=O)=O)c2)cc(C2OCCO2)cc1-c1ccc(N2CCCCC2C)s1,CJLTZKLAMSZMDE-UHFFFAOYSA-N
-rxn:5:180092:225849:225982,C[Si](C)(C)C#Cc1cc(-c2cnc(N3CCCCC3)cc2F)cc(-c2cnc(N3CCOCC3)cc2F)c1,GSLJYZSVCAGFBV-UHFFFAOYSA-N
-rxn:5:180097:222404:225926,O=C1NC(=O)C(c2ccc(-c3cc(OC4CCCC4)cc(-c4ccc(S(=O)(=O)N5CCC5)cc4)c3)cc2)N1,REXBXPPQJNSMER-UHFFFAOYSA-N
-rxn:5:180421:226183:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(CC2CCCCC2)cc1-c1cnccc1C1CCCCC1,MZNZIZZIWVYAJW-UHFFFAOYSA-N
-rxn:5:180422:226131:226686,Cc1cnn(C2CCCCO2)c1-c1cc(CC2CCCCC2)ccc1-c1ccccc1CN1CCCC1,YNVFKXRPDJGJQY-UHFFFAOYSA-N
-rxn:5:180662:222409:226572,COC(=O)C1=Cc2cc(-c3cnc(OC4CCCC4)nc3)cc(-c3ccc(OC)c(S(N)(=O)=O)c3)c2OC1,WABICTZPXPVUCR-UHFFFAOYSA-N
-rxn:5:180662:223138:226181,COC(=O)C1=Cc2cc(-c3ccc(C4=CCCCC4)nc3)cc(-c3ccnc(C4CCNCC4)c3)c2OC1,ODFKNSNCRUKZAI-UHFFFAOYSA-N
-rxn:5:180662:223141:226144,COC(=O)C1=Cc2cc(-c3ccc(C#C[Si](C)(C)C)cc3)cc(-c3cncc(C4CCNCC4)c3)c2OC1,PNTWHPDFQQPQBQ-UHFFFAOYSA-N
-rxn:5:180662:226144:223141,COC(=O)C1=Cc2cc(-c3cncc(C4CCNCC4)c3)cc(-c3ccc(C#C[Si](C)(C)C)cc3)c2OC1,AFRCUJZAGFGKLZ-UHFFFAOYSA-N
-rxn:5:181628:225832:223002,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2ccc(C3CCNCC3)cc2F)c(C2OCCO2)c1,NKOFZKXSMBHXBZ-UHFFFAOYSA-N
-rxn:5:181904:222960:225655,Cc1cc(-c2ccc(C3OCCO3)c(C)c2-c2cncc(N3CCC(C)CC3)c2)cc(C2CCNCC2)c1,OFGOEGPAKNHPBR-UHFFFAOYSA-N
-rxn:5:181904:225514:226652,Cc1cc(-c2c(-c3cccc4c3OCC3(CC3)CO4)ccc(C3OCCO3)c2C)n(C2CCCCO2)n1,QOYFLQHOTVTPHT-UHFFFAOYSA-N
-rxn:5:181904:225832:226139,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(C2OCCO2)c(C)c1-c1cc(C2CC2)cnc1C1CC1,JPULAHRKAFEUNX-UHFFFAOYSA-N
-rxn:5:181905:222998:225683,Cc1ccc(-c2ccc(C3CCCOC3)nc2C)c(C2OCCO2)c1-c1cc(F)cc(C2CCCNC2)c1,NOJNGJAQNRVQTR-UHFFFAOYSA-N
-rxn:5:181905:225469:225684,Cc1ccc(-c2ccc(C3CCOCC3)nc2C)c(C2OCCO2)c1-c1ccc(N2CCCC(C)C2)cc1,GTAHOPBSJVOCGW-UHFFFAOYSA-N
-rxn:5:181906:222980:225653,Cc1ccc(-c2ccc(CN3CCNCC3)cc2)c(C2OCCO2)c1-c1ccc(N2CCCCC2C)nc1,HAKXGNLJNMSCFK-UHFFFAOYSA-N
-rxn:5:181906:225439:225470,Cc1ccc(-c2cccc(C(C)N3CCCC3)c2)c(C2OCCO2)c1-c1ccc(N2CCC(C)CC2)cc1,QBPAESMFSFNDSH-UHFFFAOYSA-N
-rxn:5:181907:222981:222981,Cc1cc(-c2ccnc(NC3CCCCC3)c2)c(-c2ccnc(NC3CCCCC3)c2)c(C2OCCO2)c1,XBNJNMIKRCGTQT-UHFFFAOYSA-N
-rxn:5:181907:222987:222957,Cc1cc(-c2c(-c3ccc(C4CCNCC4)nc3C)cc(C)cc2C2OCCO2)cc(C2CCCNC2)c1,HHQXUYDCVPFLEU-UHFFFAOYSA-N
-rxn:5:181907:225394:225683,Cc1cc(-c2cc(C3CCC3)cc(C3CC3)c2)c(-c2ccc(C3CCCOC3)nc2C)c(C2OCCO2)c1,ZFDUWRLRAKVOKU-UHFFFAOYSA-N
-rxn:5:181907:225438:225684,Cc1cc(-c2ccc(C(C)N3CCCC3)cc2)c(-c2ccc(C3CCOCC3)nc2C)c(C2OCCO2)c1,IATHHPOOASDTFG-UHFFFAOYSA-N
-rxn:5:181907:225439:226652,Cc1cc(-c2cccc(C(C)N3CCCC3)c2)c(-c2cc(C)nn2C2CCCCO2)c(C2OCCO2)c1,KFSMADVNNGOTJH-UHFFFAOYSA-N
-rxn:5:181907:225472:225641,Cc1cc(-c2cccc(N3CCCCC3C)c2)c(-c2ccnc(N3CCCC(C)C3)c2)c(C2OCCO2)c1,JJVWNERTDFWJBX-UHFFFAOYSA-N
-rxn:5:181907:225638:225466,Cc1cc(-c2ccc(N3CCC(C)CC3)nc2)c(-c2ccc(N3CCCCC3C)cc2)c(C2OCCO2)c1,XCCNGNAHEWNOEX-UHFFFAOYSA-N
-rxn:5:181907:225655:225451,Cc1cc(-c2cncc(N3CCC(C)CC3)c2)c(-c2ccc(SC3CCCCC3)cc2)c(C2OCCO2)c1,JOXNMLDAHXHJMC-UHFFFAOYSA-N
-rxn:5:181907:226424:225407,Cc1cc(-c2cc(N3CCCC(C)C3)cs2)c(-c2ccc(C3CCCCCC3)cc2)c(C2OCCO2)c1,RJJBOMWUGGDUSW-UHFFFAOYSA-N
-rxn:5:181908:222981:222996,Cc1cc(-c2ccnc(NC3CCCCC3)c2)c(-c2ccc(F)cc2C2CCCNC2)cc1C1OCCO1,PEUZKWRAQULAKX-UHFFFAOYSA-N
-rxn:5:181908:223131:225832,Cc1cc(-c2ccc(N3CCNCC3)cc2)c(-c2c(C)nn(C3CCCCO3)c2C)cc1C1OCCO1,YBCKQLABJOYMHT-UHFFFAOYSA-N
-rxn:5:181908:225636:225638,Cc1cc(-c2ccnc(N3CCC(C)CC3)c2)c(-c2ccc(N3CCC(C)CC3)nc2)cc1C1OCCO1,YHARXKIJOVEODF-UHFFFAOYSA-N
-rxn:5:181908:225640:225438,Cc1cc(-c2ccnc(N3CCCCC3C)c2)c(-c2ccc(C(C)N3CCCC3)cc2)cc1C1OCCO1,FCLLVDQGOCESDT-UHFFFAOYSA-N
-rxn:5:181908:226187:225832,Cc1cc(-c2cccc(C3CCOCC3)c2)c(-c2c(C)nn(C3CCCCO3)c2C)cc1C1OCCO1,MGRUXUXMVLZKNG-UHFFFAOYSA-N
-rxn:5:181908:226686:225684,Cc1cc(-c2c(C)cnn2C2CCCCO2)c(-c2ccc(C3CCOCC3)nc2C)cc1C1OCCO1,YNPAEKWIXCTXEG-UHFFFAOYSA-N
-rxn:5:182010:222957:225683,Cc1cc(-c2cc(-c3ccc(C4CCCOC4)nc3C)ccc2C2CCOCC2)cc(C2CCCNC2)c1,ZFQZITUIJRIHLI-UHFFFAOYSA-N
-rxn:5:182010:226686:225436,Cc1cnn(C2CCCCO2)c1-c1cc(-c2ccc(CN3CCCCC3)cc2)ccc1C1CCOCC1,MKKZBCCLHZGLFD-UHFFFAOYSA-N
-rxn:5:182011:225684:222957,Cc1cc(-c2cc(C3CCOCC3)ccc2-c2ccc(C3CCOCC3)nc2C)cc(C2CCCNC2)c1,QDHLQTJSGJDQPN-UHFFFAOYSA-N
-rxn:5:182011:225832:227390,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(C2CCOCC2)cc1-c1ccnn1C1CCCCC1,PNGVXXOTWPMEOZ-UHFFFAOYSA-N
-rxn:5:182012:222985:222959,Cc1cc(-c2ccc(-c3ccc(C4CCCNC4)nc3C)cc2C2CCCOC2)ccc1C1CCNCC1,VRENRJFSONHXBU-UHFFFAOYSA-N
-rxn:5:182012:225462:222957,Cc1cc(-c2ccc(-c3cccc(N4CCC(C)CC4)c3)cc2C2CCCOC2)cc(C2CCCNC2)c1,KKRZFSWCKFRGPZ-UHFFFAOYSA-N
-rxn:5:182012:226686:225655,Cc1cnn(C2CCCCO2)c1-c1ccc(-c2cncc(N3CCC(C)CC3)c2)c(C2CCCOC2)c1,NRPNCDUFIAKBON-UHFFFAOYSA-N
-rxn:5:182013:222956:226426,Cc1ccc(-c2ccc(-c3ccc(N4CCC(C)CC4)s3)c(C3CCOCC3)c2)c(C2CCCNC2)c1,BNXXXUWMFXJXKI-UHFFFAOYSA-N
-rxn:5:183189:226686:225498,Cc1cnn(C2CCCCO2)c1-c1cc(-c2cc(C3CCCCC3)ccc2F)cc2c1OC(C)(C)OC2,YMTFJONYAXQEDZ-UHFFFAOYSA-N
-rxn:5:183217:226150:226052,CC1(C)CC(=O)c2cc(-c3c(F)ccc(OC(F)(F)F)c3F)cc(-c3cccc(SC4CCCC4)c3)c2O1,DMFRJFQARNXUGK-UHFFFAOYSA-N
-rxn:5:188445:226856:225613,COC(=O)c1cc(-c2cc(C(F)(F)F)ncc2OC)cc([N+](=O)[O-])c1-c1ccnc(OC2CCCCC2)c1,DJHQBHJDNVLJDI-UHFFFAOYSA-N
-rxn:5:188460:226035:226382,COC(=O)c1cc([N+](=O)[O-])c(-c2cnc(C3CCCCC3)nc2)cc1-c1c(OC)ccc(C(F)(F)F)c1F,VFRTWOBQUQRUSZ-UHFFFAOYSA-N
-rxn:5:188868:225980:226662,CC(C)OC(=O)c1ccnc(-c2ccc(N3CCN(C)CC3)s2)c1-c1cc(N2CCOCC2)ncc1F,DHYQULYRIFVDRH-UHFFFAOYSA-N
-rxn:5:188930:223201:226330,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccccc2C2CCNC2)cc1-c1ccc(C(C)N2CCCC2)s1,DNHOWDUZCWLKAH-UHFFFAOYSA-N
-rxn:5:188930:225639:223138,COC(=O)c1cc(S(N)(=O)=O)c(-c2cccnc2N2CCC(C)CC2)cc1-c1ccnc(C2CCNCC2)c1,CBNHIQWISVUEDU-UHFFFAOYSA-N
-rxn:5:188932:223135:223135,COC(=O)c1cc(-c2cccnc2C2CCCNC2)c(S(N)(=O)=O)c(-c2cccnc2C2CCCNC2)c1,DMFLXOXOLBJBGX-UHFFFAOYSA-N
-rxn:5:188932:225639:227438,COC(=O)c1cc(-c2ccnc(C3CCOC3)c2)c(S(N)(=O)=O)c(-c2cccnc2N2CCC(C)CC2)c1,FGFQHDZFAZAZDM-UHFFFAOYSA-N
-rxn:5:189001:223006:226320,COC(=O)C1(c2nc(-c3cc(C4(C#N)CC4)ccc3F)ccc2-c2ccc(F)c(C3CCNCC3)c2)CC1,ZAOBHDNZGHVVDY-UHFFFAOYSA-N
-rxn:5:189001:223006:226326,COC(=O)C1(c2nc(-c3cccc(C4(C#N)CC4)c3F)ccc2-c2ccc(F)c(C3CCNCC3)c2)CC1,IWFDLCUYNMIALT-UHFFFAOYSA-N
-rxn:5:189001:223006:226331,COC(=O)C1(c2nc(-c3ccc(C4(C#N)CC4)cc3F)ccc2-c2ccc(F)c(C3CCNCC3)c2)CC1,FZPHQTUYEWZODN-UHFFFAOYSA-N
-rxn:5:189001:223133:225601,COC(=O)C1(c2nc(-c3ccc(C4(C#N)CCC4)cc3F)ccc2-c2ccccc2N2CCNCC2)CC1,OJWBVTARWGHGAK-UHFFFAOYSA-N
-rxn:5:189001:223133:225602,COC(=O)C1(c2nc(-c3cc(C4(C#N)CCC4)ccc3F)ccc2-c2ccccc2N2CCNCC2)CC1,BJLXSGYZGQTNCM-UHFFFAOYSA-N
-rxn:5:189001:226320:223006,COC(=O)C1(c2nc(-c3ccc(F)c(C4CCNCC4)c3)ccc2-c2cc(C3(C#N)CC3)ccc2F)CC1,QHGYWYVDQHCDDP-UHFFFAOYSA-N
-rxn:5:189001:226331:223006,COC(=O)C1(c2nc(-c3ccc(F)c(C4CCNCC4)c3)ccc2-c2ccc(C3(C#N)CC3)cc2F)CC1,IYEBPWADFVYOGV-UHFFFAOYSA-N
-rxn:5:189208:227703:225640,COC(=O)c1cc(-c2ccc(C(=O)ON3C(=O)CCC3=O)c(-c3ccnc(N4CCCCC4C)c3)c2)cnc1F,BVHYSDHSNUUIMC-UHFFFAOYSA-N
-rxn:5:189322:223143:225438,CC(c1ccc(-c2ncc(-c3cccc(N4CCC(O)C4)c3)cc2C(=O)OC(C)(C)C)cc1)N1CCCC1,XYFVECRWPQCDNP-UHFFFAOYSA-N
-rxn:5:189334:226663:225833,CC(C)(C)OC(=O)c1ncc(-c2ccc(N3CCSCC3)nc2)cc1-c1ccnc(N2CCCCC2)c1F,OKGYHBDEVOMVPY-UHFFFAOYSA-N
-rxn:5:189538:223183:225450,CNS(=O)(=O)c1ccc(-c2ccc(C(=O)N(C)C(C)C)cc2-c2ccc(C(=O)C3CCCC3)cc2)c(C)c1,MATRAYQDWTTXLR-UHFFFAOYSA-N
-rxn:5:189664:225407:227349,COc1cc(C)cc(-c2cc(-c3ccc(C4CCCCCC4)cc3)ccc2CC(=O)N2CCCC2)c1OC,PKHZRWWIIVFKJB-UHFFFAOYSA-N
-rxn:5:189667:225407:225499,CC(C)(C)[S@](=O)/N=C/c1cc(-c2ccc(C3CCCCCC3)cc2)cc(-c2ccc(C3CCCCC3)cc2F)c1,KFBBXCCUFCVJJR-DTCQMPEUSA-N
-rxn:5:189667:226064:226190,CC(C)(C)[S@](=O)/N=C/c1cc(-c2ccc(C3CCCCC3)cc2)cc(-c2ccc(C3CCCC3)cc2F)c1,IXCSQMCTNFTIEU-WKCCFCLWSA-N
-rxn:5:189668:225407:227052,CC(C)(C)Sc1ccc(-c2ccc(CC(=O)N3CCCC3)c(-c3ccc(C4CCCCCC4)cc3)c2)cc1,JKNAPUFOTLDYCK-UHFFFAOYSA-N
-rxn:5:189669:225451:226919,CC(C)(C)S(=O)/N=C/c1ccc(-c2ccc(SC3CCCCC3)cc2)c(-c2cccc(C3CCCC3)c2)c1,LLICJEYZCUARSG-JWHWKPFMSA-N
-rxn:5:189669:226916:225498,CC(C)(C)S(=O)/N=C/c1ccc(-c2cccc(C3=CCCC3)c2)c(-c2cc(C3CCCCC3)ccc2F)c1,DTKBDZXENAWECI-GOJREDGKSA-N
-rxn:5:189672:225602:225940,CC(C)(C)S(=O)/N=C/c1cccc(-c2cc(C3(C#N)CCC3)ccc2F)c1-c1cc(C(F)(F)F)cnc1C1CC1,FCRKKMVKONCKKL-AIMOZCANSA-N
-rxn:5:189672:227045:225407,CC(C)(C)Sc1cccc(-c2cccc(/C=N/S(=O)C(C)(C)C)c2-c2ccc(C3CCCCCC3)cc2)c1,XDMBWINFELOFJO-JWHWKPFMSA-N
-rxn:5:189675:227092:225465,Cc1nc(C2CCC2)ccc1-c1ccc(-c2cccc(C3CCN(C)CC3)c2)cc1/C=N/S(=O)C(C)(C)C,FAMAHAQCKDEUDW-PPOKSSTKSA-N
-rxn:5:189829:226591:227801,COc1c(-c2ccc(OC(C)C)c(F)c2F)cc(C(=O)N2CCCC2)cc1-c1c(C(F)(F)F)ccnc1F,QAYKKCRHLCSQND-UHFFFAOYSA-N
-rxn:5:189909:225833:227376,Fc1c(-c2ccc(-c3cncc(N4CCCC4)c3)cc2CCN2CCOCC2)ccnc1N1CCCCC1,WOZFSUWSPUFPNY-UHFFFAOYSA-N
-rxn:5:189952:225978:226645,COc1c(-c2ccnc(N3CCOCC3)c2)cc(C(=O)N2CCOCC2)cc1-c1ccc(N2CCOCC2)nc1F,KUUKPHRLFUUNAT-UHFFFAOYSA-N
-rxn:5:189952:226849:223345,COc1nccc(-c2cc(C(=O)N3CCOCC3)cc(-c3cccc4c3NC(=O)C4)c2OC)c1C(F)(F)F,MOPGCIQJKDCFNU-UHFFFAOYSA-N
-rxn:5:190000:225440:228003,CSc1cc(C)c(-c2ccc(CC(=O)N3CCCCC3)c(-c3ccc(C4(C#N)CCCC4)cc3)c2)c(C)c1,IRPVSIRMZFGIOJ-UHFFFAOYSA-N
-rxn:5:190000:227052:226062,CC(C)c1cc(-c2ccc(CC(=O)N3CCCCC3)c(-c3ccc(SC(C)(C)C)cc3)c2)cc(C(C)C)c1,JLFQLXXZLIOCNJ-UHFFFAOYSA-N
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-rxn:5:190127:225453:227561,COc1cc(F)c(-c2ccc(-c3cccc(SC4CCCCC4)c3)cc2C(=O)N2CCC(OC)CC2)cc1OC,IOXCJIBIYLLWDG-UHFFFAOYSA-N
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-rxn:5:190196:227684:223113,CN(Cc1ccc(-c2cnn(CC3OCCO3)c2)cc1-c1ccc2c(c1)C(C)(C)C(=O)N2)C1CCOCC1,ZMRCSBRTJRXYTQ-UHFFFAOYSA-N
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-rxn:5:190596:223064:225805,CCOC(=O)c1cc2cc(-c3ccc(C(C)N4CCOCC4)s3)cc(-c3ccc(C4CCNCC4)nc3F)c2[nH]1,MUXYYAWYJCEXRY-UHFFFAOYSA-N
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-rxn:5:190742:225881:225978,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(C4CCOCC4)nc3F)c2c1-c1ccc(N2CCOCC2)nc1F,HKKDEGCOTJWXKX-UHFFFAOYSA-N
-rxn:5:190742:225982:225833,CCOC(=O)c1cnc2c(C)ccc(-c3cnc(N4CCOCC4)cc3F)c2c1-c1ccnc(N2CCCCC2)c1F,HDSQNBWRZKQYES-UHFFFAOYSA-N
-rxn:5:190742:226661:225982,CCOC(=O)c1cnc2c(C)ccc(-c3cc(N4CCN(C)CC4)cs3)c2c1-c1cnc(N2CCOCC2)cc1F,FYSLQMBKBKEKMS-UHFFFAOYSA-N
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-rxn:5:190744:223062:225982,CCOC(=O)c1cnc2c(-c3cnc(C4CCNCC4)cc3F)c(C)ccc2c1-c1cnc(N2CCOCC2)cc1F,BYVGXVNYEILMSE-UHFFFAOYSA-N
-rxn:5:190744:226583:225976,CCOC(=O)c1cnc2c(-c3ccc(CN4CCOCC4)s3)c(C)ccc2c1-c1ccnc(N2CCOCC2)c1F,ZWZYFGNDJALHFD-UHFFFAOYSA-N
-rxn:5:190744:226661:225978,CCOC(=O)c1cnc2c(-c3cc(N4CCN(C)CC4)cs3)c(C)ccc2c1-c1ccc(N2CCOCC2)nc1F,MNGYCZNEZNZSIC-UHFFFAOYSA-N
-rxn:5:190799:226146:225407,CC(C)(C)OC(=O)n1ccc2c(-c3ccc(SC4CCCC4)cc3)c(-c3ccc(C4CCCCCC4)cc3)ccc21,QNSOUFOGAORFJM-UHFFFAOYSA-N
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-rxn:5:191026:228567:225451,CCC(C)c1sccc1-c1ccc2c(c1)N(c1ccc(C)c(-c3ccc(SC4CCCCC4)cc3)c1)C=C(C(=O)OC)S2(=O)=O,OCJPDGKCLILAMW-UHFFFAOYSA-N
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-rxn:5:192236:223062:225607,COc1cc(-c2ccc(C(C)N3CCCCC3)s2)c(S(N)(=O)=O)cc1-c1cnc(C2CCNCC2)cc1F,GWIAGMQAZYSOQX-UHFFFAOYSA-N
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-rxn:5:193382:223008:226180,Cc1cc(-c2cc(-c3cc(C4CCNCC4)ccc3F)ccc2S(=O)(=O)N2CCOCC2)cc(C2CCCC2)n1,XZXWKMZGJCDCEL-UHFFFAOYSA-N
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-rxn:5:193382:225926:223199,O=S(=O)(c1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3cccc(C4CCNC4)c3)c2)cc1)N1CCC1,YHJXBTSOIVNGAT-UHFFFAOYSA-N
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-rxn:5:193382:226415:225661,Cc1cc(N2CCOCC2)ccc1-c1cc(-c2ccccc2N2CCOCC2)ccc1S(=O)(=O)N1CCOCC1,IUOCHCBRLZRJBL-UHFFFAOYSA-N
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-rxn:5:193382:227656:222956,Cc1ccc(-c2cc(-c3cc(N4CCOCC4)cs3)ccc2S(=O)(=O)N2CCOCC2)c(C2CCCNC2)c1,MSLAYDTYWRDVFK-UHFFFAOYSA-N
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-rxn:5:193506:223136:222420,NS(=O)(=O)c1ccccc1-c1cc(-c2ccncc2C2CCCNC2)ccc1S(=O)(=O)N1CCC(=O)CC1,RFTMBBUBRMUCKG-UHFFFAOYSA-N
-rxn:5:193506:223287:227438,CNS(=O)(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3ccnc(C4CCOC4)c3)c2)cc1,APVUQARJVRJOPK-UHFFFAOYSA-N
-rxn:5:193506:223312:225607,CC(c1ccc(-c2cc(-c3ccc(C4CNC4)cc3)ccc2S(=O)(=O)N2CCC(=O)CC2)s1)N1CCCCC1,OXHOLIBWXXTFLI-UHFFFAOYSA-N
-rxn:5:193506:227501:223142,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(C=C[N+](=O)[O-])cc3)cc2-c2ccc(C3CCCNC3)nc2)CC1,NYTRBBSDPFHQKS-UHFFFAOYSA-N
-rxn:5:193506:227507:223240,O=C1CCN(S(=O)(=O)c2ccc(-c3cccc(C=C[N+](=O)[O-])c3)cc2-c2ccc(C3CCNC3)nc2)CC1,QKQWEBWBWQNFMG-UHFFFAOYSA-N
-rxn:5:193506:227626:225805,CC(c1ccc(-c2cc(-c3cnc(C4CCOC4)nc3)ccc2S(=O)(=O)N2CCC(=O)CC2)s1)N1CCOCC1,LZUDFSISNFWUHL-UHFFFAOYSA-N
-rxn:5:193542:223134:226686,Cc1cnn(C2CCCCO2)c1-c1c(CN2CCCCC2)cccc1-c1cnccc1C1CCCNC1,MYSHSZCFTHEOGT-UHFFFAOYSA-N
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-rxn:5:193749:223286:226058,CC(C)c1cccc(C(C)C)c1-c1ccc(-c2cccc(NS(C)(=O)=O)c2)cc1C(=O)N1CCCCC1C,NLKQWKATANYRID-UHFFFAOYSA-N
-rxn:5:193750:223286:226059,CC1CCN(C(=O)c2cc(-c3cccc(NS(C)(=O)=O)c3)ccc2-c2ccc(C(C)C)cc2C(C)C)CC1,RDKKVDMEPZQKCP-UHFFFAOYSA-N
-rxn:5:193751:227685:226319,CC1CCCN(C(=O)c2cc(-c3ccc(C(=O)N4CCC4)cc3)ccc2-c2ccc(C#N)c([N+](=O)[O-])c2)C1,DMIORUIRRDLXOG-UHFFFAOYSA-N
-rxn:5:193752:226059:223287,CNS(=O)(=O)c1ccc(-c2cc(C(=O)N3CCCC(C)C3)ccc2-c2ccc(C(C)C)cc2C(C)C)cc1,BJOYFITVMQALLJ-UHFFFAOYSA-N
-rxn:5:193752:226059:227052,CC1CCCN(C(=O)c2ccc(-c3ccc(C(C)C)cc3C(C)C)c(-c3ccc(SC(C)(C)C)cc3)c2)C1,KUHUTHNIBUOJRV-UHFFFAOYSA-N
-rxn:5:193752:226761:223284,CSc1ccc(-c2ccc(C(=O)N3CCCC(C)C3)cc2-c2ccc(NS(C)(=O)=O)cc2)c(C(F)(F)F)c1,UUJFKTCBIGTALQ-UHFFFAOYSA-N
-rxn:5:193752:227426:225514,CC1CCCN(C(=O)c2ccc(-c3ccc(C4CCCO4)nc3)c(-c3cccc4c3OCC3(CC3)CO4)c2)C1,OKBUIQVFUSCKBV-UHFFFAOYSA-N
-rxn:5:193753:225438:225886,CC(c1ccc(-c2cc(C(=O)N3CCCCC3C)cc(-c3ccc4c(ccn4S(C)(=O)=O)c3)c2)cc1)N1CCCC1,KTVODSAGFRDGTI-UHFFFAOYSA-N
-rxn:5:193753:227706:225811,COc1cnc(C(F)F)c(-c2cc(C(=O)N3CCCCC3C)cc(-c3ccc(C4(C(F)(F)F)CC4)cc3)c2)c1,OSYJQNMAUYUUSO-UHFFFAOYSA-N
-rxn:5:193756:225653:225819,CC1CCCCN1C(=O)c1ccc(-c2ccc(N3CCCCC3C)nc2)cc1-c1cc(C(F)(F)F)ccc1C1CC1,SSZDUBJOUZJQAE-UHFFFAOYSA-N
-rxn:5:193756:226177:225806,CC1CCCCN1C(=O)c1ccc(-c2ccnc(C3CCCCC3)c2)cc1-c1cnc(OC2CCCC2)cc1F,PWOSDTBNASCXQT-UHFFFAOYSA-N
-rxn:5:193756:226182:226779,CC1CCCCN1C(=O)c1ccc(-c2cccnc2C2CCCCC2)cc1-c1ccc(C(=O)C(F)(F)F)cc1,BDZRAPQMWXOZLE-UHFFFAOYSA-N
-rxn:5:193756:226437:227512,COC(=O)c1cc(-c2cc(-c3cc(C4CCCC4)ncc3F)ccc2C(=O)N2CCCCC2C)c(C)cn1,UCFSOCRJJMBAKO-UHFFFAOYSA-N
-rxn:5:193756:226744:225819,CCc1cc(-c2ccc(C(=O)N3CCCCC3C)c(-c3cc(C(F)(F)F)ccc3C3CC3)c2)cnc1C(F)(F)F,XJDDSHDFMXHOLO-UHFFFAOYSA-N
-rxn:5:193756:226745:227094,CCc1ncc(C(F)(F)F)cc1-c1ccc(C(=O)N2CCCCC2C)c(-c2cnccc2C2CCCC2)c1,WHYYAIBRXSXTNL-UHFFFAOYSA-N
-rxn:5:193756:226842:222981,CC1CCCCN1C(=O)c1ccc(-c2cncc(C(=O)C(F)(F)F)c2)cc1-c1ccnc(NC2CCCCC2)c1,HOMXSILWQRUFDG-UHFFFAOYSA-N
-rxn:5:193756:226844:226849,COc1nccc(-c2cc(-c3ccnc(C(=O)C(F)(F)F)c3)ccc2C(=O)N2CCCCC2C)c1C(F)(F)F,AMVPQJVRMFYXRQ-UHFFFAOYSA-N
-rxn:5:193756:227408:226842,CC1CCCCN1C(=O)c1ccc(-c2cc(C3CCC3)ncc2F)cc1-c1cncc(C(=O)C(F)(F)F)c1,CRMWABIFCOPEDC-UHFFFAOYSA-N
-rxn:5:193756:227960:225640,CC1CCCCN1C(=O)c1ccc(-c2ccncc2C2CCC2)cc1-c1ccnc(N2CCCCC2C)c1,WYQWTAKINHZFRV-UHFFFAOYSA-N
-rxn:5:193866:227052:227349,COc1cc(C)cc(-c2cc(C3(N4CCC(=O)CC4)CC3)ccc2-c2ccc(SC(C)(C)C)cc2)c1OC,NOVOUXBICJZXSV-UHFFFAOYSA-N
-rxn:5:193867:226919:227592,COc1cc(F)cc(-c2cc(-c3cccc(C4CCCC4)c3)cc(C3(N4CCC(=O)CC4)CC3)c2)c1OC,QDBGROMRIUNQCV-UHFFFAOYSA-N
-rxn:5:193868:227094:225613,CC1CN(C(=O)c2cc(-c3cnccc3C3CCCC3)ccc2-c2ccnc(OC3CCCCC3)c2)CC(C)O1,BPANNLDHPUVUOS-UHFFFAOYSA-N
-rxn:5:193868:227664:227695,COc1cc(-c2ccc(-c3cc(C)cc(C(F)(F)F)c3)cc2C(=O)N2CC(C)OC(C)C2)cc([N+](=O)[O-])c1,QAVUWNNONMFZMP-UHFFFAOYSA-N
-rxn:5:193868:228177:225940,COCc1ccc(F)cc1-c1ccc(-c2cc(C(F)(F)F)cnc2C2CC2)c(C(=O)N2CC(C)OC(C)C2)c1,GRZZMGKPQPTUAO-UHFFFAOYSA-N
-rxn:5:193869:222419:223148,Cc1cc(-c2cccc(S(N)(=O)=O)c2)c(S(=O)(=O)N2CCCCC2)cc1-c1ccccc1C1CNCCO1,BTVZVQRYOSAZIV-UHFFFAOYSA-N
-rxn:5:193869:222959:228868,COC(=O)c1ccc(-c2cc(S(=O)(=O)N3CCCCC3)c(-c3ccc(C4CCNCC4)c(C)c3)cc2C)s1,QLCLCVYTGAUMKY-UHFFFAOYSA-N
-rxn:5:193870:227507:223242,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2ccnc(C3CCNC3)c2)cc1-c1cccc(C=C[N+](=O)[O-])c1,VEFPYZZLVCLDOQ-UHFFFAOYSA-N
-rxn:5:193871:225440:228616,CSc1ccc(-c2ccc(C(=O)N3CCC4(CC3)CC4)cc2-c2ccc(C3(C#N)CCCC3)cc2)c(C)c1,UZAGFBICWADSBN-UHFFFAOYSA-N
-rxn:5:193871:225886:226582,CN(C)C(=O)c1ccc(-c2ccc(C(=O)N3CCC4(CC3)CC4)cc2-c2ccc3c(ccn3S(C)(=O)=O)c2)c(F)c1,XUMGMFYUAREXIG-UHFFFAOYSA-N
-rxn:5:193872:223285:226768,CSc1ccc(-c2cc(C(=O)N3CCC4(CC3)CC4)ccc2-c2ccccc2NS(C)(=O)=O)cc1C(F)(F)F,UCOGWNYCJVTVQF-UHFFFAOYSA-N
-rxn:5:193872:227626:222957,Cc1cc(-c2cc(C(=O)N3CCC4(CC3)CC4)ccc2-c2cnc(C3CCOC3)nc2)cc(C2CCCNC2)c1,IDVFMHPKKMQRPK-UHFFFAOYSA-N
-rxn:5:193972:227052:228013,Cc1cc(-c2ccc(SC(C)(C)C)cc2)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc(F)c(C2CC2)c1,NZNULJNJECRFSQ-UHFFFAOYSA-N
-rxn:5:193972:228567:227591,CCC(C)c1sccc1-c1cc(C)c(-c2ccc(C(F)F)cc2OC)cc1S(=O)(=O)N1CCCCCC1,MQXPBXHFWGTONU-UHFFFAOYSA-N
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-rxn:5:194522:222992:225498,CC(C)CN1CCc2c1ccc(-c1ccc(N3CCCCC3O)cc1)c2-c1cc(C2CCCCC2)ccc1F,ZSTVIQPVDWDGKK-UHFFFAOYSA-N
-rxn:5:194688:226366:225833,COc1cc(-c2ccnc(N3CCCCC3)c2F)cc2c1OCC(=O)N(c1ccc(-c3ccnc(N4CCCCC4)c3)cc1)C2,DFMMVMAFYJIEQN-UHFFFAOYSA-N
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-rxn:5:194792:226920:225486,Cc1ccc(C(C)(C)C)cc1-c1ccc(C2OC3(C(=O)c4ccccc4C3=O)C3C(=O)N(c4ccc(-c5ccc(F)c(-c6ccccc6)c5)cc4)C(=O)C23)cc1,UGYAVPPYDHQRLT-UHFFFAOYSA-N
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-rxn:5:196859:226663:225832,Cc1nn(C2CCCCO2)c(C)c1-c1nccc(C2CCOCC2)c1-c1ccc(N2CCSCC2)nc1,RFOIXFKQKGJMAC-UHFFFAOYSA-N
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-rxn:5:196872:226425:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(N2CCOCC2)c(-c2ccc(N3CCCCC3C)s2)c1,XYKBPAJTTRVSDH-UHFFFAOYSA-N
-rxn:5:196873:225834:225849,Fc1cc(N2CCCCC2)ncc1-c1cc(N2CCOCC2)ccc1-c1cc(N2CCCCC2)ncc1F,ITHCZKNDNZLXFA-UHFFFAOYSA-N
-rxn:5:196919:226748:226424,COc1cc(C(F)(F)F)ccc1-c1ccc(C2=NC(C)(C)CO2)c(-c2cc(N3CCCC(C)C3)cs2)c1,COWXUEFNWFHSGK-UHFFFAOYSA-N
-rxn:5:196969:226414:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(C2CCCCC2)ncc1-c1ccc(C2=NCCCO2)cc1,FLKSXMYVNAOEBL-UHFFFAOYSA-N
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-rxn:5:196977:225438:222960,Cc1cc(-c2cc(N3CCCCC3)ccc2-c2ccc(C(C)N3CCCC3)cc2)cc(C2CCNCC2)c1,WJAXSZSRURECFE-UHFFFAOYSA-N
-rxn:5:197876:225499:223401,CNc1cc(-c2cc3c(cc2-c2ccc(C4CCCCC4)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)ccc1C,JOYVRWWVBROZOF-UHFFFAOYSA-N
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-rxn:5:197876:225671:223399,CNCc1ccccc1-c1cc2c(cc1-c1cc(C3CCCCC3)ncc1F)S(=O)(=O)N(C(C)(C)C)C2=O,WMAMOSXQQZFLEK-UHFFFAOYSA-N
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-rxn:5:197876:226079:225666,CC(C)c1ccc2sc(-c3cc4c(cc3-c3cc(F)cc(N5CCCCC5)c3)C(=O)N(C(C)(C)C)S4(=O)=O)cc2c1,WKWZWQYLPJKLJK-UHFFFAOYSA-N
-rxn:5:197876:226174:227065,CC(C)C(=O)c1cccc(-c2cc3c(cc2-c2ccc(C4CCCCC4)nc2)S(=O)(=O)N(C(C)(C)C)C3=O)c1,ASQFLYCHWDNDLD-UHFFFAOYSA-N
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-rxn:5:197876:226190:227926,CC(C)Sc1ccc(-c2cc3c(cc2-c2ccc(C4CCCC4)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1,SQHUHOAVFLTTMB-UHFFFAOYSA-N
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-rxn:5:197876:226444:227076,CCC(C)c1ccc(F)c(-c2cc3c(cc2-c2ccc(C4CCCO4)nc2C)S(=O)(=O)N(C(C)(C)C)C3=O)c1,BBKFZUARVMBSCA-UHFFFAOYSA-N
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-rxn:5:197876:227412:226916,CC(C)(C)c1cc(F)c(-c2cc3c(cc2-c2cccc(C4=CCCC4)c2)C(=O)N(C(C)(C)C)S3(=O)=O)cn1,XAOIGUSFNXUROO-UHFFFAOYSA-N
-rxn:5:197876:227980:226589,CC(C)c1cnc(C(F)F)cc1-c1cc2c(cc1-c1ccc(C3CC3)cc1F)S(=O)(=O)N(C(C)(C)C)C2=O,RKOHOUPAPZKXMG-UHFFFAOYSA-N
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-rxn:5:197876:228928:225607,CC(c1ccc(-c2cc3c(cc2-c2cccnc2C(F)F)S(=O)(=O)N(C(C)(C)C)C3=O)s1)N1CCCCC1,OHUCTFSFSZAKMF-UHFFFAOYSA-N
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-rxn:5:227989:178295:227124,CC#Cc1ccc(F)c(-c2ccc(-c3ccc(C(C)(C)C)cc3F)cc2C2(C(=O)OC)CCC(=O)CC2)c1,QAYGFRZVJIFYBU-UHFFFAOYSA-N
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-rxn:4:173356:223641,CCc1cc2c(cc1F)cc(-c1ccc(CC(C(=O)OC)C(=O)OC)cc1)n2C(=O)OC(C)(C)C,LLLUAJPDJYZBMR-UHFFFAOYSA-N
-rxn:4:173358:223748,CCOC(=O)CC(=O)c1c(OC)cccc1-c1cc(N2CCCCC2)cc(N2CCCCC2)c1,HODZCJBNMDSKQO-UHFFFAOYSA-N
-rxn:4:173450:224253,CC1CCCCN1C(=O)c1cc(-c2cc(C(=O)OC(C)(C)C)ccc2OCC(F)(F)F)ccc1F,MCBVKNQKVPQDKO-UHFFFAOYSA-N
-rxn:4:173457:224420,COC(=O)c1cc(OCC(C)(C)OC)cc(-c2cc3c(cc2C)C(C)(C)CCC3(C)C)c1,DCVWAFIFWDUYAR-UHFFFAOYSA-N
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-rxn:4:173534:223568,COC(=O)C(C)(C)Oc1cccc(C(=O)c2cccc(-c3cnc4c(ccn4[Si](C(C)C)(C(C)C)C(C)C)c3Cl)c2)c1,TUYACQRHFUIWMD-UHFFFAOYSA-N
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-rxn:4:173554:222919,CC(C)(C)NS(=O)(=O)c1ccc(-c2cc(C(=O)OC(C)(C)C)ccc2C(=O)OC(C)(C)C)cc1,NVXKDTFMVBKULB-UHFFFAOYSA-N
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-rxn:4:173596:224569,COc1ccc(OC)c(-c2c(C(C)C)cc(C(C)C)cc2C(C)C)c1-c1cc(F)cc(OCC2CCCCC2)c1,FVTQLFUVIDSHQS-UHFFFAOYSA-N
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-rxn:4:173680:223279,CCOC(=O)c1c(C)oc2cc(-c3cnc(C4CCCN4)nc3)c(OC(=O)C3CCCCC3)cc12,NLJBEBVWIBBFDT-UHFFFAOYSA-N
-rxn:4:173680:226844,CCOC(=O)c1c(C)oc2cc(-c3ccnc(C(=O)C(F)(F)F)c3)c(OC(=O)C3CCCCC3)cc12,XZCGZPWETJJWGF-UHFFFAOYSA-N
-rxn:4:173683:222724,COC(=O)Cc1c(C)c2ccc(OCc3cccc(-c4cnc(N5CCNCC5)c(C(F)(F)F)c4)c3)c(C)c2oc1=O,NQQPZJYYFNATML-UHFFFAOYSA-N
-rxn:4:173697:223502,Cc1oc2cc(OCC(=O)OC(C)(C)C)ccc2c(=O)c1-c1ccc(-c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c(F)c2)cc1,VFUIPICMIYZMCU-UHFFFAOYSA-N
-rxn:4:173723:224715,CCCCOc1cc(C(F)(F)F)ccc1-c1ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc1,UCASPQZDAITQEI-UHFFFAOYSA-N
-rxn:4:173789:223593,COC(=O)c1ccc(OCC(F)(F)F)c(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c(Cl)c2)c1,UEBMHEDNNNABJN-UHFFFAOYSA-N
-rxn:4:173801:225102,CCN(CC)C(=O)c1cc(-c2ccc(OCC(F)(F)C(F)F)cc2C(F)(F)F)ccc1F,IIJCUPSLGHGKSN-UHFFFAOYSA-N
-rxn:4:173802:225387,O=[N+]([O-])c1cc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)c(F)c(C(F)(F)F)c1,UYXFUUBNSXQDFB-UHFFFAOYSA-N
-rxn:4:173802:226042,O=[N+]([O-])c1ccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)c(C(F)(F)F)c1,QSNRCNSIVGALBT-UHFFFAOYSA-N
-rxn:4:173843:223559,COC(=O)CC(=O)Cc1cccc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)c1,FZMHLLJVHXTXOE-UHFFFAOYSA-N
-rxn:4:173921:223884,COC(=O)C(C(=O)OC)c1cccc(-c2ccc3c(c2)CCN(C(=O)OC(C)(C)C)C3)c1,DSWIRKBMBVFRTR-UHFFFAOYSA-N
-rxn:4:173985:223845,CCCOc1ccc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCN(C)CC2)cc1C(=O)OC,WNZKKWQSJWXAGA-UHFFFAOYSA-N
-rxn:4:174004:223832,CCOC(=O)c1cc(OCC)c(F)cc1-c1cc(S(=O)(=O)N2CCC(C)CC2)ccc1OC,OHCXJJDZXLGALT-UHFFFAOYSA-N
-rxn:4:174009:223557,COC(=O)C(C(C)=O)C(=O)c1ccc(-c2c(F)ccc3c2ccn3[Si](C(C)C)(C(C)C)C(C)C)cc1,GYQUYYIFRUNOFU-UHFFFAOYSA-N
-rxn:4:174131:222545,COC(=O)C(C)(C)COc1cccc(-c2ccc(C(C)(C)NC(=O)OC(C)(C)C)cc2)c1,KQAKBPVAURFIGN-UHFFFAOYSA-N
-rxn:4:174152:223790,COC(=O)C(C)(C)COc1ccc(-c2cncc(C3CCCN3C(=O)OC(C)(C)C)c2)c(F)c1,KGXAEOBLIQZWTE-UHFFFAOYSA-N
-rxn:4:174169:225220,CC1CCCCN1c1ncc(-c2cc(OC(F)(F)F)cc(C(=O)OC(C)(C)C)c2)cc1Cl,JQCGDKMPERKSMR-UHFFFAOYSA-N
-rxn:4:174195:222514,COc1ccc(-c2cccc(C(=O)CC(=O)OC(C)(C)C)c2)cc1S(=O)(=O)NC1CCCCC1,MDKBVXUNKHNXRQ-UHFFFAOYSA-N
-rxn:4:174356:223559,CSc1ccccc1CCC(=O)c1ccc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)c(F)c1,IOWAEJZRHDNBRR-UHFFFAOYSA-N
-rxn:4:174407:224599,COC(=O)C1(c2cccc(-c3cc(C(=O)C4CCCCC4)ccc3F)c2)CC(OC)(OC)C1,WLZOGIAAVHBBMA-UHFFFAOYSA-N
-rxn:4:174427:223917,CCS(=O)(=O)Cc1ccc(C(=O)c2ccc(F)cc2Cl)c(-c2cc(F)cc(C(=O)N(C)C3CCCCC3)c2)c1,NTIQYEHAAIPGKB-UHFFFAOYSA-N
-rxn:4:174444:224423,CCC[C@H]1CC[C@H](c2ccc(-c3cc(C(=O)OC)cc(F)c3OCC3CCCCC3)cc2)CC1,VSGXGHHJKURABI-AFARHQOCSA-N
-rxn:4:174514:223769,CC(C)[Si](Oc1cccc(-c2cc3cccc(C#N)c3n2C(=O)OC(C)(C)C)c1)(C(C)C)C(C)C,OFPKYDPHCOMJDM-UHFFFAOYSA-N
-rxn:4:174514:224721,Cc1nn(CC(=O)OC(C)(C)C)c(C)c1-c1cccc(O[Si](C(C)C)(C(C)C)C(C)C)c1,QPPPRPRPAIAMBR-UHFFFAOYSA-N
-rxn:4:174522:222714,CC(C)[Si](C#Cc1ccc(-c2cc(NC(=O)OC(C)(C)C)cc(F)c2F)cc1)(C(C)C)C(C)C,PJOIPNIPZWKRDF-UHFFFAOYSA-N
-rxn:4:174522:224566,COC(=O)C1(c2ccc(-c3ccc(C#C[Si](C(C)C)(C(C)C)C(C)C)cc3)cc2)CCCC1,MSKIWIGUBYDVTO-UHFFFAOYSA-N
-rxn:4:174524:223179,CONC(=O)c1cc(-c2cccc(C=Cc3cc(OC)c(C4OCCO4)cc3C(F)(F)F)c2C)ccc1F,KUFACJJVTOACCO-UHFFFAOYSA-N
-rxn:4:174526:222467,Cc1c(-c2ccc(NC(=O)OC(C)(C)C)c3ccccc23)ccc(O[Si](C(C)C)(C(C)C)C(C)C)c1Cl,FRVXDGGILIKTBR-UHFFFAOYSA-N
-rxn:4:174580:222673,CC(=O)Oc1ccc2c(=O)c(Oc3ccccc3-c3cc(C(=O)NC4CCCCC4)ccc3Cl)c(C(F)(F)F)oc2c1,TWWRFNBYZPBXTO-UHFFFAOYSA-N
-rxn:4:174648:222787,COc1cc(C=C2C(=O)c3ccccc3C2=O)ccc1OC(=O)c1cccc(-c2ccc(NC(=O)OC(C)(C)C)cc2Cl)c1,SXMYEUZOBFHKOY-UHFFFAOYSA-N
-rxn:4:174655:223179,CCCCCOc1cc2c(cc1-c1ccc(F)c(C(=O)NOC)c1)C(C)(C)CCC2(C)C,RIPZHFOMSVMAGJ-UHFFFAOYSA-N
-rxn:4:174655:226844,CCCCCOc1cc2c(cc1-c1ccnc(C(=O)C(F)(F)F)c1)C(C)(C)CCC2(C)C,PTJVOKCHOLGHHF-UHFFFAOYSA-N
-rxn:4:174656:223818,CC(C)[Si](C#Cc1cccc2cccc(-c3c(F)cc(F)c4c3ccn4C(=O)OC(C)(C)C)c12)(C(C)C)C(C)C,BTKZTNNZSPPYRJ-UHFFFAOYSA-N
-rxn:4:174668:223895,CCN1CCN(CCOc2ccc(-c3ccc(OC(F)(F)F)c(OC(F)F)c3)cc2)CC1,GMJGAUDBAQFSDF-UHFFFAOYSA-N
-rxn:4:174688:223574,CC(C)(C)OC(=O)N1CCN(Cc2cccc(-c3ccc(OC(F)(F)F)c(C(=O)C(F)(F)F)c3)c2)CC1,ZQXSZMRCKKYBPJ-UHFFFAOYSA-N
-rxn:4:174939:223810,CCOC(=O)c1c(C(F)(F)F)ccc(-c2cc(C)c(S(=O)(=O)N3CCC(C)CC3)c(C)c2)c1F,WGYAKOVSIIQTNE-UHFFFAOYSA-N
-rxn:4:175007:223542,CCOC(=O)c1ccc(OC)c(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCN(C)CC3)c2)c1,GLNHBLZRLFWNAR-UHFFFAOYSA-N
-rxn:4:175089:224326,Cc1cc(-c2ccc(COS(C)(=O)=O)cc2C(F)(F)F)ccc1S(=O)(=O)N1CCCCC1,HSKIYFTUIHARNJ-UHFFFAOYSA-N
-rxn:4:175387:223480,Cc1cc(-c2cccc(C(=O)OCc3ccccc3)c2F)cc(C)c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,ODKRJDBCLKSBKZ-UHFFFAOYSA-N
-rxn:4:175824:224243,CC1CCCCN1C(=O)c1cc(F)cc(-c2cc(C(=O)CCC3OCCCO3)ccc2Cl)c1,WEHHOINPQMJRJL-UHFFFAOYSA-N
-rxn:4:175933:224325,CC(C)(C)OC(=O)C1(c2ccc(-c3ccc(C4=CCN(S(C)(=O)=O)CC4)cc3)cc2)CC1,AHJGAKWUVMMNIO-UHFFFAOYSA-N
-rxn:4:175985:224420,COC(=O)c1ccc(-c2cc3c(cc2C)C(C)(C)CCC3(C)C)cc1OC1CCCCC1,NWLZGTNFTDZYLJ-UHFFFAOYSA-N
-rxn:4:176015:224307,CC(C)(C)[Si](C)(C)Oc1cc(F)c(-c2cccc(CCC(=O)C3CCCCC3)c2)c(F)c1,HSCPJLJSFMEPRJ-UHFFFAOYSA-N
-rxn:4:176044:222945,CC(C)NS(=O)(=O)c1ccc(-c2ccc(C3(C)OCCO3)cc2C(=O)OC(C)C)cc1F,UALAHNBIISCSLO-UHFFFAOYSA-N
-rxn:4:176096:223572,CC1CCN(S(=O)(=O)c2ccc(-c3ccc(CO[Si](C)(C)C(C)(C)C)cc3F)c3ccccc23)CC1,NDRMQPAAGZGLOP-UHFFFAOYSA-N
-rxn:4:176123:223569,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(F)c(-c3cc(C(=O)OC(C)(C)C)cc(-c4cc(F)ccc4F)c3)cnc21,ZMSRSPNLBJOOJT-UHFFFAOYSA-N
-rxn:4:176131:223497,CC(c1ccc(-c2cc(SC(C)(C)C)cc(SC(C)(C)C)c2)cc1)N1CCC(O[Si](C)(C)C(C)(C)C)CC1,RFGMUUDDEQQBDT-UHFFFAOYSA-N
-rxn:4:176131:224168,CCN(C(=O)OC(C)(C)C)c1cccc(-c2cc(SC(C)(C)C)cc(SC(C)(C)C)c2)c1,ZZJTXLARVSVGAT-UHFFFAOYSA-N
-rxn:4:176168:223549,CC(C)c1cccc(C(C)C)c1OCc1ccc(-c2cc(F)c([Si](C(C)C)(C(C)C)C(C)C)c(F)c2)cc1,PSLMAMBBPMXTPW-UHFFFAOYSA-N
-rxn:4:176213:224373,CCOC(=O)CC1CCCc2ccc(-c3ccc(OC)c(S(=O)(=O)N4CCCC4)c3)cc21,LRDRQXZFZSNJKO-UHFFFAOYSA-N
-rxn:4:176316:223179,CONC(=O)c1cc(-c2ccc(OCC(F)(F)F)c(C3C4CC5CC(C4)CC3C5)c2)ccc1F,QKCIPLUOCBMDGW-UHFFFAOYSA-N
-rxn:4:176316:223279,FC(F)(F)COc1ccc(-c2cnc(C3CCCN3)nc2)cc1C1C2CC3CC(C2)CC1C3,DYCRPHGZNYXUPE-UHFFFAOYSA-N
-rxn:4:176317:223179,CONC(=O)c1cc(-c2ccc(OCC(F)(F)F)c(C34CC5CC(CC(C5)C3)C4)c2)ccc1F,YTUYCLHBIBXZQR-UHFFFAOYSA-N
-rxn:4:176317:223279,FC(F)(F)COc1ccc(-c2cnc(C3CCCN3)nc2)cc1C12CC3CC(CC(C3)C1)C2,MGRXIHAESMTTRI-UHFFFAOYSA-N
-rxn:4:176321:224485,CC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2cccc(C(=O)Oc3cc4c5c(oc4cc3C(C)(C)C)CCCC5)c2)c1,WOZDKDGFLQBRME-UHFFFAOYSA-N
-rxn:4:176322:226844,CCC1(CC)CC(C)(C)c2c1cc1c(c2-c2ccnc(C(=O)C(F)(F)F)c2)C(C)(C)CC1(CC)CC,OCRGJYHXLLSEGB-UHFFFAOYSA-N
-rxn:4:176441:223500,CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(-c3c(Cl)cccc3OC(F)(F)C(F)(F)F)ccc2F)CC1,KCCOMLISJXJJOV-UHFFFAOYSA-N
-rxn:4:177082:224584,CC(=O)c1cc(C(F)(F)F)c(-c2cccc(C(=O)N3CCC(C)CC3)c2)cc1C(F)(F)F,KWXGMFFXFOVBOY-UHFFFAOYSA-N
-rxn:4:177199:223606,O=C(CC1CC1)c1c(F)cccc1-c1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)c(F)c1,FFHSYQMCXUJDEB-UHFFFAOYSA-N
-rxn:4:178164:223562,CC(C)Oc1cc(-c2ccc(CC3CCN(C(=O)OC(C)(C)C)CC3)cc2)cc(C(C)C)c1,SXJRNHJNIGFFSU-UHFFFAOYSA-N
-rxn:4:178329:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3cccc(S(=O)(=O)CC4CCCCC4)c3)c2)CC1,PLXNXUVBZWDWKO-UHFFFAOYSA-N
-rxn:4:178363:224022,Cc1cc(OC[C@H]2COC(C)(C)O2)cc(C)c1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1,YWKGVBIPQVYPPF-GFJWVSBCSA-N
-rxn:4:178381:225901,Cc1nn(C(=O)OC(C)(C)C)cc1-c1c(C(C)(C)C)cc(C(C)(C)C)cc1C(C)(C)C,PLSATRKDUPBDNH-UHFFFAOYSA-N
-rxn:4:178384:223240,c1cc(C2CCNC2)ncc1-c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1,QWGOGHJQBSZCCK-UHFFFAOYSA-N
-rxn:4:178384:226257,CCCCOc1ccc(F)cc1-c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1,ZBOJFFSNCQYBIL-UHFFFAOYSA-N
-rxn:4:178384:226599,CCOc1c(F)cc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c(C)c1F,LCVVFEFRYLWUSB-UHFFFAOYSA-N
-rxn:4:178384:226844,O=C(c1cc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)ccn1)C(F)(F)F,SXMNINCNWZYYLV-UHFFFAOYSA-N
-rxn:4:178384:228173,CCOc1cc(F)ccc1-c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1,NJYNYKLXRZGSBA-UHFFFAOYSA-N
-rxn:4:178384:228565,CSCc1ccc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)cc1,LVOLLXUSSWJWDL-UHFFFAOYSA-N
-rxn:4:178597:223179,CONC(=O)c1cc(-c2ccc(OC(=O)C3OC4OC(C)(C)OC4C4OC(C)(C)OC34)cc2)ccc1F,ULZBTXLKYITKFB-UHFFFAOYSA-N
-rxn:4:178597:223279,CC1(C)OC2OC(C(=O)Oc3ccc(-c4cnc(C5CCCN5)nc4)cc3)C3OC(C)(C)OC3C2O1,ZAMVDSHLHOYVEG-UHFFFAOYSA-N
-rxn:4:178597:226991,CCC(C)Cc1cncc(-c2ccc(OC(=O)C3OC4OC(C)(C)OC4C4OC(C)(C)OC34)cc2)c1,DNTIACGLUJCBNU-UHFFFAOYSA-N
-rxn:4:178597:227834,Cc1cc(-c2ccc(OC(=O)C3OC4OC(C)(C)OC4C4OC(C)(C)OC34)cc2)ccc1C1CC1,BFFXWDRYZNPBJN-UHFFFAOYSA-N
-rxn:4:178597:228548,CCCc1cncc(-c2ccc(OC(=O)C3OC4OC(C)(C)OC4C4OC(C)(C)OC34)cc2)c1,ZHLLMFPWXPRFAD-UHFFFAOYSA-N
-rxn:4:178597:228641,Cc1cc(F)c(-c2ccc(OC(=O)C3OC4OC(C)(C)OC4C4OC(C)(C)OC34)cc2)cc1C,DNVMJUVXJAOSQQ-UHFFFAOYSA-N
-rxn:4:178598:224588,COc1cc2c(cc1OC)C1CCCCC1OC2c1cccc(-c2cc(F)cc(CN3CCC(C)CC3)c2)c1,LBEYZDPEMCCLII-UHFFFAOYSA-N
-rxn:4:178707:223939,CC(C)(C)OC(=O)N1CCOc2ccc(-c3c(F)c(F)c(OC(F)(F)F)c(F)c3F)cc21,CHOXOLFLYPBMTF-UHFFFAOYSA-N
-rxn:4:179290:223482,CS(=O)c1ccc(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)cc1C(F)(F)F,YFQNVUBQSCHLRE-UHFFFAOYSA-N
-rxn:4:180030:223712,COc1ccc(-c2cc(OC)c(F)c(C3OCCO3)c2)cc1C12CC3CC(CC(C3)C1)C2,AHGVDHKIGJGKRW-UHFFFAOYSA-N
-rxn:4:180452:225563,CC(C)(C)OCc1ccc(F)cc1-c1cc(F)cc(CC2C(=O)OC(C)(C)OC2=O)c1F,VABKVDZCPRJPJR-UHFFFAOYSA-N
-rxn:4:180499:223918,CN(C(=O)c1ccc(F)c(-c2ccc(C3CC3)cc2C2CCCOC2)c1)C1CCCCC1,BRDQDJMLTWSTOB-UHFFFAOYSA-N
-rxn:4:180792:224458,CCOC1CCC2(CC1)Cc1ccc(-c3ccc(C(C)N4CCC(C)CC4)cc3)cc1C2=O,YLRVHBVQCSEQTB-UHFFFAOYSA-N
-rxn:4:182354:222612,COc1ccc(-c2cc(S(=O)(=O)N3CCC(O)CC3)ccc2F)c2c1OC1(CCCC1)C2,BLLWZBFIVVYTQD-UHFFFAOYSA-N
-rxn:4:182376:224585,CO[C@H]1[C@H](C)C[C@@]2(Cc3ccc(-c4ccc(C(=O)N5CCC(C)CC5)cc4)cc3C2=O)C[C@@H]1C,RYGIRSAAJKNENZ-VPVHVURKSA-N
-rxn:4:182376:225053,CO[C@H]1[C@H](C)C[C@@]2(Cc3ccc(-c4ccc(N5CCCCC5C)cc4F)cc3C2=O)C[C@@H]1C,OWSJRVQQHZDFAE-VVIRAPSZSA-N
-rxn:4:182376:225198,CO[C@H]1[C@H](C)C[C@@]2(Cc3ccc(-c4c(F)cccc4OC4CCCCO4)cc3C2=O)C[C@@H]1C,GUZWJIGOTLCHMX-HNTTYOSVSA-N
-rxn:4:182376:225765,CO[C@H]1[C@H](C)C[C@@]2(Cc3ccc(-c4ccc(F)c(OCC(C)C)c4F)cc3C2=O)C[C@@H]1C,ZJNJHAFTPIGLQW-GPNSRJIGSA-N
-rxn:4:182416:223179,CONC(=O)c1cc(-c2ccc(C3C4=C(CC(C)(C)CC4=O)OC4=C3C(=O)CC(C)(C)C4)cc2)ccc1F,UVKCYHHXIAYINW-UHFFFAOYSA-N
-rxn:4:182416:226844,CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1,BKCFSDPKASMLOS-UHFFFAOYSA-N
-rxn:4:182475:223492,Cc1cc(-c2c(F)ccc(F)c2Cl)ccc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,GZHMVLPYPRNRKV-UHFFFAOYSA-N
-rxn:4:183253:223570,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3cc(F)c4c(c3)CCC3(C4)OCCO3)c(F)ncc21,RYOUBLCPWZMBDR-UHFFFAOYSA-N
-rxn:4:183272:226881,COc1c(F)c(F)c(-c2ccc3c(c2)OCCOCCOCCOCCOCCO3)c(F)c1F,QIVVJJHRXLIIAI-UHFFFAOYSA-N
-rxn:4:183273:223219,CC(C)NCc1cncc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,XFUKWLPSUNXWSO-UHFFFAOYSA-N
-rxn:4:183273:226357,Cc1cnn(-c2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc2)c1,XMRZYYLAOWQRPC-UHFFFAOYSA-N
-rxn:4:183274:222947,OC1CCCN(c2ncc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCOCCO4)c(Cl)n2)C1,ICXDFBWWMFQVOD-UHFFFAOYSA-N
-rxn:4:183274:224165,Cc1ccc2c(cnn2C2CCCCO2)c1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCOCCO2,CGIAMMYXAVCWGQ-UHFFFAOYSA-N
-rxn:4:183355:223598,Fc1cc(-c2c3c(cc4c2CCC4)CCC3)ccc1OCCN1CCC2(CC1)OCCO2,NGWFYRRQAMJGOR-UHFFFAOYSA-N
-rxn:4:183512:223838,CCOC(=O)Cc1cc(-c2ccc(N3CCN(S(=O)(=O)N(C)C)CC3)cc2)c(C#N)cc1C(F)F,DFUGHOFSPXYKNM-UHFFFAOYSA-N
-rxn:4:183527:224401,CCOC(=O)Cc1c(C(F)(F)F)ccc(-c2ccc(C3COCCO3)c(C(F)(F)F)c2)c1C#N,OAKQYNHQULQYGH-UHFFFAOYSA-N
-rxn:4:183590:222773,CCCOc1cc(C(=O)OC)c([N+](=O)[O-])cc1-c1ccc(C(=O)NC2CCOCC2)cc1,HIJFBPDSAKBMNA-UHFFFAOYSA-N
-rxn:4:183591:222792,CCOC(=O)C(C)Oc1ccc(-c2cc(NC(=O)OC(C)(C)C)ccc2F)cc1[N+](=O)[O-],PPMPYQANZSLBHH-UHFFFAOYSA-N
-rxn:4:183626:223645,CCOC(=O)C1CCCN(C(=O)c2cccc(-c3cc(C#N)ccc3OCC(=O)OC(C)(C)C)c2)C1,OSVQGMUWOPUFKM-UHFFFAOYSA-N
-rxn:4:183695:226844,O=C(COc1ccc(OC(F)(F)F)cc1-c1ccnc(C(=O)C(F)(F)F)c1)N1CCCC1,IUCZIBDILDNWNC-UHFFFAOYSA-N
-rxn:4:183726:223179,CCCOc1cc(-c2ccc(F)c(C(=O)NOC)c2)ccc1C(=O)ON1C(=O)CCC1=O,UFLRHQJNARSAHT-UHFFFAOYSA-N
-rxn:4:183729:226844,O=C(COc1ccc(OC(F)(F)F)cc1-c1ccnc(C(=O)C(F)(F)F)c1)N1CCOCC1,SLYOKQALMRHKAT-UHFFFAOYSA-N
-rxn:4:183731:223179,CONC(=O)c1cc(-c2ccc(OC(F)(F)F)cc2OCCN2CCC(F)(F)C2)ccc1F,IFDBZXNFRGAYAS-UHFFFAOYSA-N
-rxn:4:183731:223279,FC1(F)CCN(CCOc2cc(OC(F)(F)F)ccc2-c2cnc(C3CCCN3)nc2)C1,JIFNWRHPPOYVIY-UHFFFAOYSA-N
-rxn:4:183732:223279,FC1(F)CCN(CCOc2ccc(OC(F)(F)F)cc2-c2cnc(C3CCCN3)nc2)C1,AHUBSCQUYILVLB-UHFFFAOYSA-N
-rxn:4:183743:223831,CCCCOc1cc(-c2ccc(OC)c(S(=O)(=O)N3CCC(C)CC3)c2)ccc1C(=O)N1CCC1,PSIGHNDTUATZDI-UHFFFAOYSA-N
-rxn:4:183752:226844,CCOC(=O)CCN1C(=O)C(=Cc2cccc(-c3ccnc(C(=O)C(F)(F)F)c3)c2)SC1=S,RJBTWEAYOZNXNG-UHFFFAOYSA-N
-rxn:4:183755:223279,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cnc(C3CCCN3)nc2)cc1OCC1CC1,CCWCMIYSPUBKDI-UHFFFAOYSA-N
-rxn:4:183772:224770,Cc1cc(-c2ccc(OC(F)(F)F)cc2OCC(=O)N2CCCC(F)(F)C2)cc(S(=O)(=O)N2CCCC2)c1,CPMUJDNZXHNGJO-UHFFFAOYSA-N
-rxn:4:183797:223179,CCCCN(C(=O)c1ccc(-c2ccc(F)c(C(=O)NOC)c2)o1)C1CCS(=O)(=O)C1,HEASYBNGPXSZAJ-UHFFFAOYSA-N
-rxn:4:183801:223674,Cc1cc(-c2ccc(COc3cc(C(F)(F)F)ccc3Cl)cc2)cc(N(CC(F)(F)F)C(=O)OC(C)(C)C)c1,BOIGBAITYYVANR-UHFFFAOYSA-N
-rxn:4:183807:223179,CONC(=O)c1cc(-c2ccc(C(=O)ON3C(=O)CCC3=O)c(OCC(C)C)c2)ccc1F,ZGZGOLHDMRGTIC-UHFFFAOYSA-N
-rxn:4:183808:223179,CONC(=O)c1cc(-c2ccc(OC(F)(F)F)cc2OCCN2CCC(F)(F)CC2)ccc1F,QOBUCNNQWQDUFO-UHFFFAOYSA-N
-rxn:4:183808:223279,FC1(F)CCN(CCOc2cc(OC(F)(F)F)ccc2-c2cnc(C3CCCN3)nc2)CC1,JZBQKJKKUYPZPD-UHFFFAOYSA-N
-rxn:4:183809:223179,CONC(=O)c1cc(-c2cc(OC(F)(F)F)ccc2OCCN2CCCC(F)(F)C2)ccc1F,KPETZYZTZHYEQW-UHFFFAOYSA-N
-rxn:4:183827:222694,CC(C)(C)OC(=O)N(Cc1cccc(Cl)c1-c1cccc(S(=O)(=O)NC2CCCCC2)c1)C1CC1,SYOQZVXYKCFELU-UHFFFAOYSA-N
-rxn:4:183862:225990,CCCCn1nc(C(F)(F)F)cc1-c1ccc(OCC2CCN(CC(=O)OC)CC2)cc1,JMFFGQBPDBFOGA-UHFFFAOYSA-N
-rxn:4:183866:226844,CCOC(=O)c1c(C)c(-c2ccnc(C(=O)C(F)(F)F)c2)c(C)n1C(=O)OC(C)(C)C,IBQNOKNVOVKSIZ-UHFFFAOYSA-N
-rxn:4:183873:223026,CCCNC(=O)c1ccc(-c2cc(OCCN3CCCCC3)cc(C(=O)OC)c2)cc1F,QRHIOEOHNKLYEH-UHFFFAOYSA-N
-rxn:4:183879:223179,CONC(=O)c1cc(-c2ccc(Cl)c(OCC3CN(C(=O)OC(C)(C)C)C3)c2)ccc1F,QHEPJNMVWCUJEJ-UHFFFAOYSA-N
-rxn:4:183890:223179,CONC(=O)c1cc(-c2cc(F)c(OCC3CN(C(=O)OC(C)(C)C)C3)c(F)c2)ccc1F,WOYMBLLHPOHHBN-UHFFFAOYSA-N
-rxn:4:183903:223179,CONC(=O)c1cc(-c2cnc(C#C[Si](C)(C)C)c(OC(=O)OC(C)(C)C)c2)ccc1F,IGEXLHJYGLHPKO-UHFFFAOYSA-N
-rxn:4:183906:226844,CCCCOc1cc(S(=O)(=O)N2CCOCC2)ccc1-c1ccnc(C(=O)C(F)(F)F)c1,XKJZFEMWVGLJKT-UHFFFAOYSA-N
-rxn:4:183907:223179,CCCCN(C(=O)c1ccccc1-c1ccc(F)c(C(=O)NOC)c1)C1CCS(=O)(=O)C1,RFJBAJFMHMSETM-UHFFFAOYSA-N
-rxn:4:183907:226844,CCCCN(C(=O)c1ccccc1-c1ccnc(C(=O)C(F)(F)F)c1)C1CCS(=O)(=O)C1,QIVCAIYVXOITMA-UHFFFAOYSA-N
-rxn:4:183911:223179,CONC(=O)c1cc(-c2ccc(OC(F)(F)F)cc2OCCN2CCCCC2C)ccc1F,PTOFOZZHPWLZPF-UHFFFAOYSA-N
-rxn:4:183911:226844,CC1CCCCN1CCOc1cc(OC(F)(F)F)ccc1-c1ccnc(C(=O)C(F)(F)F)c1,AICXYTFHOZQRJL-UHFFFAOYSA-N
-rxn:4:183912:223179,CONC(=O)c1cc(-c2ccc(OC(F)(F)F)cc2OCCN2CCC(C)CC2)ccc1F,RFIMYMRHPSXPOY-UHFFFAOYSA-N
-rxn:4:183937:223098,CC(=O)NS(=O)(=O)c1ccc(-c2cc(F)ccc2CN(C(=O)OC(C)(C)C)C2CCC2)cc1,SCLPWLXVKUJWKU-UHFFFAOYSA-N
-rxn:4:183938:223179,CONC(=O)c1cc(-c2cc(C)c(F)c(CN(C(=O)OC(C)(C)C)C3CC3)c2)ccc1F,QEJBZVUXLKZOKC-UHFFFAOYSA-N
-rxn:4:183957:222922,CC(C)(C)NS(=O)(=O)c1ccccc1-c1cccc(OCC2CCN(C(=O)OC(C)(C)C)C2)c1,YFNOUVYBNYFHMZ-UHFFFAOYSA-N
-rxn:4:183961:223887,Cc1c(-c2ccc(OC[C@@H]3CCCN3C(=O)OC(C)(C)C)cc2)n(C(=O)OC(C)(C)C)c2ccccc12,COSPVBKQRMTVCS-QFIPXVFZSA-N
-rxn:4:183963:223179,CONC(=O)c1cc(-c2c(C)cccc2OCC2CN(C(=O)OC(C)(C)C)C2)ccc1F,UBWJREXVTBZFNO-UHFFFAOYSA-N
-rxn:4:183967:226844,CC(C)(C)OC(=O)N1CCC(COc2cc(-c3ccnc(C(=O)C(F)(F)F)c3)ccc2Cl)C1,WZESNKSZCDXZKK-UHFFFAOYSA-N
-rxn:4:183969:223279,CCOC(=O)C1CCN(S(=O)(=O)c2ccc(-c3cnc(C4CCCN4)nc3)c(OC)c2)CC1,KPWOPMHVIGPQFM-UHFFFAOYSA-N
-rxn:4:183970:223179,CCOC(=O)C1CCN(S(=O)(=O)c2cc(-c3ccc(F)c(C(=O)NOC)c3)ccc2OC)CC1,PPCRVLIHFYLMDO-UHFFFAOYSA-N
-rxn:4:183970:223279,CCOC(=O)C1CCN(S(=O)(=O)c2cc(-c3cnc(C4CCCN4)nc3)ccc2OC)CC1,UROPUGOEIPIDIW-UHFFFAOYSA-N
-rxn:4:183983:222833,Cc1ccc(-c2cccc(NC(=O)CCC(C)C)c2)cc1CN(C(=O)OC(C)(C)C)C(C)C,FJRSOPTVFAIUKB-UHFFFAOYSA-N
-rxn:4:183985:224327,CC1CCCN(S(=O)(=O)c2cccc(-c3ccc(O[Si](C(C)C)(C(C)C)C(C)C)cc3C#N)c2)C1,BBRXDVJZJKUTRO-UHFFFAOYSA-N
-rxn:4:183986:223179,CONC(=O)c1cc(-c2cc(C)c(F)c(CN(C(=O)OC(C)(C)C)C(C)C)c2)ccc1F,KERKOELNVQYDBD-UHFFFAOYSA-N
-rxn:4:183989:223179,CONC(=O)c1cc(-c2cc(F)cc(F)c2CC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)ccc1F,LHLZYJAEHPGDLG-NRFANRHFSA-N
-rxn:4:183990:224953,CCOc1ccc(N(C(=O)c2cccc(-c3ccc(OCC4CCCCC4)nc3)c2)C2C=CS(=O)(=O)C2)cc1,BHAXTVFEFVSILG-UHFFFAOYSA-N
-rxn:4:183993:223179,CONC(=O)c1cc(-c2ccc(C)c(CN(C(=O)OC(C)(C)C)C3CCC3)c2)ccc1F,BUMBXWKVEGKUKT-UHFFFAOYSA-N
-rxn:4:183993:226844,Cc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1CN(C(=O)OC(C)(C)C)C1CCC1,NQHYCLBRFQAEEP-UHFFFAOYSA-N
-rxn:4:183995:223179,CONC(=O)c1cc(-c2cc(C)cc(CN(C(=O)OC(C)(C)C)C3CCC3)c2)ccc1F,AFGLSPGGNIKBAR-UHFFFAOYSA-N
-rxn:4:183997:223179,CONC(=O)c1cc(-c2c(Cl)cccc2CN(C(=O)OC(C)(C)C)C2CCCC2)ccc1F,ZQQQYLQNXIAVFA-UHFFFAOYSA-N
-rxn:4:183998:223179,CONC(=O)c1cc(-c2ccc(CN(C(=O)OC(C)(C)C)C3CCCC3)c(F)c2)ccc1F,NDJUZCWSAPERLL-UHFFFAOYSA-N
-rxn:4:184001:223536,COC(=O)C1(c2ccc(-c3cc(F)c(F)c(N4CCN(C(=O)OC(C)(C)C)CC4)c3)cc2Cl)CCN(C(=O)OC(C)(C)C)C1,OYQNTMHHJKLADS-UHFFFAOYSA-N
-rxn:4:184006:223179,CONC(=O)c1cc(-c2ccc(N(C(=O)c3ccc(OC)c(OC)c3)C3C=CS(=O)(=O)C3)cc2)ccc1F,IQCGUKQIJNFUND-UHFFFAOYSA-N
-rxn:4:184010:223279,CCOc1ccc(-c2cnc(C3CCCN3)nc2)cc1S(=O)(=O)N(CC)C1CCCCC1,WJMKWTSNLLNQHB-UHFFFAOYSA-N
-rxn:4:184020:226844,Cc1cc(-c2ccnc(C(=O)C(F)(F)F)c2)ccc1OC[C@@H]1CCCN1C(=O)OC(C)(C)C,QBGJIORSJFOEJY-SFHVURJKSA-N
-rxn:4:184024:223279,CC(C)(C)OC(=O)N1CCCC(COc2cc(Cl)cc(-c3cnc(C4CCCN4)nc3)c2)C1,AJNWRGBYEIFMJY-UHFFFAOYSA-N
-rxn:4:184027:225560,CC(C)(C)OC(=O)N1CCC(COc2ccc(-c3cccc(COC4CCOC4)c3)cc2F)CC1,PGURQZYHUWJKEH-UHFFFAOYSA-N
-rxn:4:184029:223179,CONC(=O)c1cc(-c2cccc(OCC3CCN(C(=O)OC(C)(C)C)CC3)c2F)ccc1F,SYUURINOYKKKJK-UHFFFAOYSA-N
-rxn:4:184031:222787,CC(C)(C)OC(=O)Nc1ccc(-c2cc(F)cc(OCC3CCCN(C(=O)OC(C)(C)C)C3)c2)c(Cl)c1,RWJCOBWTKNZGSY-UHFFFAOYSA-N
-rxn:4:184031:223790,CC(C)(C)OC(=O)N1CCCC(COc2cc(F)cc(-c3cncc(C4CCCN4C(=O)OC(C)(C)C)c3)c2)C1,AGARUMWXNFEPMK-UHFFFAOYSA-N
-rxn:4:184034:223179,CCOC(=O)C1CCN(S(=O)(=O)c2cc(-c3ccc(F)c(C(=O)NOC)c3)c(C)cc2OC)CC1,PITBZFQRVJODLV-UHFFFAOYSA-N
-rxn:4:184034:226844,CCOC(=O)C1CCN(S(=O)(=O)c2cc(-c3ccnc(C(=O)C(F)(F)F)c3)c(C)cc2OC)CC1,GJOZJGDLHRSCAM-UHFFFAOYSA-N
-rxn:4:184049:223179,CONC(=O)c1cc(-c2ccc(OC)cc2C(=O)N2CCC(S(=O)(=O)Cc3ccco3)CC2)ccc1F,HANCNOUVPAGCRY-UHFFFAOYSA-N
-rxn:4:184049:226844,COc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)c(C(=O)N2CCC(S(=O)(=O)Cc3ccco3)CC2)c1,RZKARNUJWWAMCE-UHFFFAOYSA-N
-rxn:4:184054:224691,CC(C)CS(=O)(=O)C1CCN(C(=O)Cc2ccc(-c3ccc(C(=O)N4CC5(COC5)C4)cc3)cc2)CC1,XFANBCUJNHDSPQ-UHFFFAOYSA-N
-rxn:4:184061:224719,Cc1ccc(C(=O)C(C)OC(=O)C2CC(=O)N(c3ccc(-c4cn(C(=O)OC(C)(C)C)nc4C(C)C)cc3)C2)cc1,KCTKDUVGBNDAOT-UHFFFAOYSA-N
-rxn:4:184062:224159,Cc1cc(CN(C(=O)OC(C)(C)C)C2CCCC2)ccc1-c1cccc2c1ccn2C(=O)OC(C)(C)C,FVPIZMGHJQJUNM-UHFFFAOYSA-N
-rxn:4:184062:227359,COC(=O)c1cccc(-c2ccc(CN(C(=O)OC(C)(C)C)C3CCCC3)cc2C)c1C,XZUPVTWSXKCNSZ-UHFFFAOYSA-N
-rxn:4:184063:223279,Cc1cc(-c2cnc(C3CCCN3)nc2)ccc1CN(C(=O)OC(C)(C)C)C1CCCC1,WYFFBIUTHCXVJR-UHFFFAOYSA-N
-rxn:4:184064:223279,Cc1ccc(CN(C(=O)OC(C)(C)C)C2CCCC2)c(-c2cnc(C3CCCN3)nc2)c1,CHKJNKOJRLNYEL-UHFFFAOYSA-N
-rxn:4:184065:223279,CC(C)(C)OC(=O)N(Cc1ccc(-c2cnc(C3CCCN3)nc2)cc1)C1CCCCC1,MSKYSXPSDHJWFA-UHFFFAOYSA-N
-rxn:4:184069:223179,CONC(=O)c1cc(-c2ccc(OC)cc2C(=O)N2CCC(S(=O)(=O)CC(C)C)CC2)ccc1F,JLMOCGFVFVWUQX-UHFFFAOYSA-N
-rxn:4:184069:223279,COc1ccc(-c2cnc(C3CCCN3)nc2)c(C(=O)N2CCC(S(=O)(=O)CC(C)C)CC2)c1,LZOBUEJSSOJCPF-UHFFFAOYSA-N
-rxn:4:184069:225358,COC(=O)c1cc(-c2ccc(OC)cc2C(=O)N2CCC(S(=O)(=O)CC(C)C)CC2)cc(C(F)(F)F)c1,ACEHBWFQUSMGGT-UHFFFAOYSA-N
-rxn:4:184069:226844,COc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)c(C(=O)N2CCC(S(=O)(=O)CC(C)C)CC2)c1,NTTJLBUYKXGQPK-UHFFFAOYSA-N
-rxn:4:184070:225084,COC(=O)C1(c2ccc(-c3cccc4cc(C(F)(F)F)ccc34)cc2C)CCN(C(=O)OC(C)(C)C)C1,MDWIYGXLIDDOKH-UHFFFAOYSA-N
-rxn:4:184085:226844,Cc1c(OCC2CCN(C(=O)OC(C)(C)C)CC2)cccc1-c1ccnc(C(=O)C(F)(F)F)c1,RUHVZMHPXAYXGH-UHFFFAOYSA-N
-rxn:4:184091:223179,CONC(=O)c1cc(-c2cc(OC)c(S(=O)(=O)N3CCC(Cc4ccccc4)CC3)cc2OC)ccc1F,AUQDIHBJHPUPLI-UHFFFAOYSA-N
-rxn:4:184091:226844,COc1cc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)c(OC)cc1-c1ccnc(C(=O)C(F)(F)F)c1,QDTPOIGJKJKOQK-UHFFFAOYSA-N
-rxn:4:184093:226844,CC(C)c1ccc(CN(C(=O)c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2)C2CCS(=O)(=O)C2)cc1,DHHYKQVQSNDORK-UHFFFAOYSA-N
-rxn:4:184094:226844,CC(C)c1ccc(CN(C(=O)c2ccccc2-c2ccnc(C(=O)C(F)(F)F)c2)C2CCS(=O)(=O)C2)cc1,HNRFQUNLWJWXEJ-UHFFFAOYSA-N
-rxn:4:184096:225571,COC(=O)c1ccc(-c2ccc(CN(C(=O)OC(C)(C)C)C3CCC(C)(C)CC3)cc2)c(C2CC2)c1,YNELUHYWGAUCBI-UHFFFAOYSA-N
-rxn:4:184098:223179,CONC(=O)c1cc(-c2cccc(CN(C(=O)c3ccc(C(C)(C)C)cc3)C3CCS(=O)(=O)C3)c2)ccc1F,WVUNZCZJSVNAEH-UHFFFAOYSA-N
-rxn:4:184099:227121,CC(c1ccc(-c2ccc(C(C)(C)C)cc2Cl)cc1)N(C(=O)OC(C)(C)C)C1CCC(C)(C)CC1,NCVFAJUAILHLDW-UHFFFAOYSA-N
-rxn:4:184099:228558,CCSc1cccc(-c2ccc(C(C)N(C(=O)OC(C)(C)C)C3CCC(C)(C)CC3)cc2)c1,OXJXGFVRMIOMCS-UHFFFAOYSA-N
-rxn:4:184099:228979,CCc1ccccc1-c1ccc(C(C)N(C(=O)OC(C)(C)C)C2CCC(C)(C)CC2)cc1,BBVIYUFRSOUSOC-UHFFFAOYSA-N
-rxn:4:184099:229204,CCc1sccc1-c1ccc(C(C)N(C(=O)OC(C)(C)C)C2CCC(C)(C)CC2)cc1,YGEZHRFSZBKEDJ-UHFFFAOYSA-N
-rxn:4:184125:222637,CC(NC(=O)OC(C)(C)C)c1ccc(-c2cc(OCCCN3C(=O)c4ccccc4C3=O)cc(C(F)(F)F)c2)cc1,AIFDSUHPPICCKM-UHFFFAOYSA-N
-rxn:4:184127:225173,O=C(c1ccc(-c2ccc(OCCCN3C(=O)c4ccccc4C3=O)cc2C(F)(F)F)c(F)c1)N1CCCC1,GFKAZRGVYMXHEC-UHFFFAOYSA-N
-rxn:4:184151:223179,CCOC(=O)c1c(S(C)=O)n(C2CC2)c2c(OC)c(-c3ccc(F)c(C(=O)NOC)c3)ccc2c1=O,BPBNEEVJUBQQAR-UHFFFAOYSA-N
-rxn:4:184151:226844,CCOC(=O)c1c(S(C)=O)n(C2CC2)c2c(OC)c(-c3ccnc(C(=O)C(F)(F)F)c3)ccc2c1=O,AOFZWBUHGPLZIJ-UHFFFAOYSA-N
-rxn:4:184152:223179,CCOC(=O)c1c(C)oc2cc(-c3ccc(F)c(C(=O)NOC)c3)c(OC(=O)N3CCOCC3)cc12,WRULAQNQZGUGNV-UHFFFAOYSA-N
-rxn:4:184181:223792,COC(=O)C1CCN(C(=O)c2ccc(-c3ccc(CN(C(=O)OC(C)(C)C)C(C)C)c4ccccc34)cc2)CC1,UFDZBCMPJIPRIB-UHFFFAOYSA-N
-rxn:4:184181:225269,COC(=O)c1ccc(-c2ccc(CN(C(=O)OC(C)(C)C)C(C)C)c3ccccc23)c(C(=O)OC)c1,VLRLVYJWKHGDQG-UHFFFAOYSA-N
-rxn:4:184182:223179,CONC(=O)c1cc(-c2cc(CCC(=O)N3C4CCC3CC(SC)C4)ccc2OC)ccc1F,DCMXCRWZKAGCCW-UHFFFAOYSA-N
-rxn:4:184187:223179,CONC(=O)c1cc(-c2ccc3c(c2)N(c2cc(OC)c(OC)c(OC)c2)C=C(C(=O)OC)S3(=O)=O)ccc1F,RCWXZGMVZOPJPU-UHFFFAOYSA-N
-rxn:4:184187:223279,COC(=O)C1=CN(c2cc(OC)c(OC)c(OC)c2)c2cc(-c3cnc(C4CCCN4)nc3)ccc2S1(=O)=O,AXBILIFFYUICAW-UHFFFAOYSA-N
-rxn:4:184189:223179,CONC(=O)c1cc(-c2ccc3c(CC(=O)N4CCC(C(=O)OC)CC4)c(OC)ccc3c2)ccc1F,BUKQOHFQYQLNKD-UHFFFAOYSA-N
-rxn:4:184189:226844,COC(=O)C1CCN(C(=O)Cc2c(OC)ccc3cc(-c4ccnc(C(=O)C(F)(F)F)c4)ccc23)CC1,XXPXOSQHBSRZKO-UHFFFAOYSA-N
-rxn:4:184205:223179,CONC(=O)c1cc(-c2cc(OCc3ccccc3)c3c(c2F)CCN(C(=O)OC(C)(C)C)C3)ccc1F,XUGZAIXVFRIFQM-UHFFFAOYSA-N
-rxn:4:184205:223840,COc1ccc(-c2cc(OCc3ccccc3)c3c(c2F)CCN(C(=O)OC(C)(C)C)C3)cc1S(=O)(=O)N1CCN(C)CC1,DBNZAYXPQMKWFT-UHFFFAOYSA-N
-rxn:4:184208:226844,CC(C)(C)OC(=O)N(Cc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)c2ccccc12)C1CCCC1,COXQVOALUQGGQT-UHFFFAOYSA-N
-rxn:4:184215:226844,CC(C)(C)OC(=O)N(Cc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)c2ccccc12)C1CCOCC1,VPUXXWYZCSPXLG-UHFFFAOYSA-N
-rxn:4:184219:226844,CC(C)(C)OC(=O)n1c(-c2ccnc(C(=O)C(F)(F)F)c2)cc2cc(O[Si](C)(C)C(C)(C)C)ccc21,XNPYTLOJOGMGQC-UHFFFAOYSA-N
-rxn:4:184222:223179,CONC(=O)c1cc(-c2ccc(CN(C(=O)OC(C)(C)C)C3CCCCC3)c3ccccc23)ccc1F,DGHGHRPIVJGSIL-UHFFFAOYSA-N
-rxn:4:184222:226143,Cc1cc(-c2ccc(CN(C(=O)OC(C)(C)C)C3CCCCC3)c3ccccc23)cc(C)c1OC(C)C,OHQMESYRLQZLAW-UHFFFAOYSA-N
-rxn:4:184233:225162,CC(C)OCCCN1C(=O)c2oc3ccccc3c(=O)c2C1c1cccc(-c2ccc(C(=O)N3CCCC3)c(Cl)c2)c1,VMVBNWBUVZJBIZ-UHFFFAOYSA-N
-rxn:4:184248:222889,Cc1cc2oc3c(c(=O)c2cc1C)C(c1cccc(-c2cc(F)cc(CN4CCNCC4)c2)c1)N(CCCOC(C)C)C3=O,HCPJSHOIHHQWKU-UHFFFAOYSA-N
-rxn:4:184248:223179,CONC(=O)c1cc(-c2cccc(C3c4c(oc5cc(C)c(C)cc5c4=O)C(=O)N3CCCOC(C)C)c2)ccc1F,KILWYTPIMCGGPP-UHFFFAOYSA-N
-rxn:4:184248:226844,Cc1cc2oc3c(c(=O)c2cc1C)C(c1cccc(-c2ccnc(C(=O)C(F)(F)F)c2)c1)N(CCCOC(C)C)C3=O,OAICFRPVZHZWFJ-UHFFFAOYSA-N
-rxn:4:184282:223669,COc1ccc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2)cc1OCCC#N,LTXMEUPNYUCZHE-UHFFFAOYSA-N
-rxn:4:184410:224100,CCOC(=O)c1cc(C(F)F)cc(C#N)c1-c1ccccc1OCCN1CCC(C)CC1,CSAVFVRWDSUQIG-UHFFFAOYSA-N
-rxn:4:184474:223520,CCOC(=O)c1cc(C(F)(F)F)c(C#N)cc1-c1ccc(C(C)N2CCN(C(=O)OC(C)(C)C)CC2)cc1,WIXIPYCDKRNAPY-UHFFFAOYSA-N
-rxn:4:184498:224188,CCOC(=O)c1c(-c2ccc(C(=O)N(C(C)C)C(C)C)cc2Cl)ccc(C(F)(F)F)c1C#N,ZZDLJTPSUYXILQ-UHFFFAOYSA-N
-rxn:4:184512:223696,CCOC(=O)CCc1ncc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc2)cc1F,ACHLKJLUIBUAHU-UHFFFAOYSA-N
-rxn:4:184553:223846,COC(=O)C(C(=O)OC)c1ccc(-c2cc(C)cc(C3CC4CCC3(C)C4(C)C)c2)cn1,MLNIHZXYIWFLJH-UHFFFAOYSA-N
-rxn:4:184553:223947,CCN(C(=O)OC(C)(C)C)c1ccc(-c2ccc(C(C(=O)OC)C(=O)OC)nc2)c(F)c1,UBVABKHMOSWDGM-UHFFFAOYSA-N
-rxn:4:184608:223809,COC(=O)COc1c(C)cc(-c2cc(N3CCOCC3)cc(N3CCOCC3)c2)cc1[N+](=O)[O-],VJLGLFOVDUQLRT-UHFFFAOYSA-N
-rxn:4:184648:223694,CCOC(=O)Cc1ccc(-c2cc(S(=O)(=O)N3CCN(CC)CC3)c(C)cc2F)c(C#N)c1C,LALPBEQNMDMWGY-UHFFFAOYSA-N
-rxn:4:184686:224702,Cc1c(-c2ccc(OCC(F)(F)F)c(C(=O)N(C)C)c2)cc(F)c(OC2CCCC2)c1F,LJLBOXZYRAWJLG-UHFFFAOYSA-N
-rxn:4:184695:223179,CONC(=O)c1cc(-c2cc(OC(F)(F)F)cc(C(=O)ON3C(=O)CCC3=O)c2)ccc1F,AUEYUMBYMGTKBF-UHFFFAOYSA-N
-rxn:4:184695:223279,O=C(ON1C(=O)CCC1=O)c1cc(OC(F)(F)F)cc(-c2cnc(C3CCCN3)nc2)c1,UQMOYPHEWRWEOF-UHFFFAOYSA-N
-rxn:4:184748:223179,CONC(=O)c1cc(-c2ccc(C(=O)N3CCC3(F)F)c(OCC(F)(F)F)c2)ccc1F,HJRMYATXPOPIKK-UHFFFAOYSA-N
-rxn:4:184765:223529,COC(=O)c1c(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)c(F)c2)ccn1C(=O)OC(C)(C)C,BCCHLIPFQYUOHP-UHFFFAOYSA-N
-rxn:4:184774:224316,CN1CCN(C(=O)c2cc(F)cc(-c3cccc(CCC(=O)ON4C(=O)CCC4=O)c3)c2)CC1,BHRCNKSZEOKENR-UHFFFAOYSA-N
-rxn:4:184843:225733,CCCCOc1cc(-c2cc([N+](=O)[O-])c(C(=O)OC)cc2OC2CCOC2)c(F)cc1F,OGVHNNDEQFKHLZ-UHFFFAOYSA-N
-rxn:4:184887:224614,CN(C(=O)OC(C)(C)C)c1ccc(-c2ccc(OCC(F)(F)F)c(C(=O)N3CCCC3)c2)cc1,ANBKYHZTENSOHJ-UHFFFAOYSA-N
-rxn:4:184929:224089,CC1CCN(CCOc2ccc(-c3ccc(OCC(F)(F)F)c(C(=O)N4CCOCC4)c3)cc2)CC1,HFBHWCZRNKPALS-UHFFFAOYSA-N
-rxn:4:185005:223179,CONC(=O)c1cc(-c2ccc(OCC(=O)N3CCCC(C(F)(F)F)C3)cc2)ccc1F,KJGGETWKIXLXKH-UHFFFAOYSA-N
-rxn:4:185051:224780,FC(F)(F)CN1CCC(COc2ccc(-c3ccc(C4CCOC4)c(C(F)(F)F)c3)cc2)CC1,YRIRVZMBLZMZQC-UHFFFAOYSA-N
-rxn:4:185062:223179,CONC(=O)c1cc(-c2cc(Cl)cc(F)c2OCCN2CCC(C(F)(F)F)CC2)ccc1F,VHJWIGXSYKMZNL-UHFFFAOYSA-N
-rxn:4:185062:224593,CC1CCN(Cc2cc(-c3cc(Cl)cc(F)c3OCCN3CCC(C(F)(F)F)CC3)ccc2F)CC1,YERKEPIENLZIPS-UHFFFAOYSA-N
-rxn:4:185062:226554,CCCOc1cc(F)c(-c2cc(Cl)cc(F)c2OCCN2CCC(C(F)(F)F)CC2)cc1F,UOGAJHQGSBTIBE-UHFFFAOYSA-N
-rxn:4:185067:226844,O=C(c1cc(-c2cccc(CN3CCC(F)(F)CC3)c2OCC(F)(F)F)ccn1)C(F)(F)F,SRBPDZITJGWBQO-UHFFFAOYSA-N
-rxn:4:185094:224325,COc1ccc(C(=O)N(C(C)C)C(C)C)c(-c2ccc(C3=CCN(S(C)(=O)=O)CC3)cc2)c1,CCNVDAYOIUCVJR-UHFFFAOYSA-N
-rxn:4:185113:224801,CCCOc1cc(-c2ccc(S(=O)(=O)CC(=O)N3CCCC(C(F)(F)F)C3)cc2)cc(C(F)(F)F)c1F,IGIZOCKANRGINK-UHFFFAOYSA-N
-rxn:4:185144:223138,CCOC(=O)C1CCN(S(=O)(=O)c2ccc(-c3ccnc(C4CCNCC4)c3)cc2)CC1,STLWUHQQHYMDBV-UHFFFAOYSA-N
-rxn:4:185147:222957,Cc1cc(-c2ccccc2S(=O)(=O)N2CC(S(=O)(=O)CC(C)C)C2)cc(C2CCCNC2)c1,BGHSYCRUFXKJRK-UHFFFAOYSA-N
-rxn:4:185160:225548,CCOC(=O)c1ccc(CC)cc1-c1ccc(C(=O)OC)cc1CN1CCCC(C(F)(F)F)C1,APUNHQQNYPSTSO-UHFFFAOYSA-N
-rxn:4:185164:223279,CC(C)(C)OC(=O)N1CC(c2ccc(-c3cnc(C4CCCN4)nc3)c(C(F)(F)F)c2)C1,WNJGKZNOXJHENJ-UHFFFAOYSA-N
-rxn:4:185176:223505,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(-c3ccc(CC(=O)N4C(=O)OC[C@H]4Cc4ccccc4)cc3)cc2)CC1,UHAVFJPQLJFUSV-MUUNZHRXSA-N
-rxn:4:185202:225170,COc1cc(-c2cc(F)ccc2CN2CCOCC2)ccc1C1CN(C(=O)OC(C)(C)C)C1,UHKKSRFOSNEUNZ-UHFFFAOYSA-N
-rxn:4:185207:223179,CONC(=O)c1cc(-c2ccc(OC3CCN(C(=O)OC(C)(C)C)C3)c(Cl)c2)ccc1F,IQXRAJCVINVMPB-UHFFFAOYSA-N
-rxn:4:185209:223174,CCOc1cccc(-c2ccc(NS(=O)(=O)CC)cc2)c1CN1CCC(C(F)(F)F)CC1,GUZLLFUDNVASOQ-UHFFFAOYSA-N
-rxn:4:185212:223743,Cc1ccc(-c2ccc(CC3COS(=O)(=O)N3C(=O)OC(C)(C)C)cc2)cc1OCCCN1CCC(C)CC1,WLKJUXGHKZOFLG-UHFFFAOYSA-N
-rxn:4:185225:223279,COc1cc(-c2cnc(C3CCCN3)nc2)cc(OC)c1C(=O)N1CCCC(C(F)(F)F)C1,FZIQUEJRVGFJSZ-UHFFFAOYSA-N
-rxn:4:185226:223279,COc1cc(-c2cnc(C3CCCN3)nc2)cc(OC)c1C(=O)N1CCCCC1C(F)(F)F,AAVBEVSUXBCKJO-UHFFFAOYSA-N
-rxn:4:185245:223279,CC(C)CS(=O)(=O)C1CCN(C(=O)c2ccc(-c3cnc(C4CCCN4)nc3)o2)CC1,DDZPODJBTTUBEV-UHFFFAOYSA-N
-rxn:4:185246:223179,CONC(=O)c1cc(-c2cccc(CC3C(=O)CCN3C(=O)OC(C)(C)C)c2)ccc1F,KFFCZJVGGKMYPJ-UHFFFAOYSA-N
-rxn:4:185248:223179,CONC(=O)c1cc(-c2cc(OC)c(CN3CCCC(C(F)(F)F)C3)c(OC)c2)ccc1F,TUOKJAGNOPOIDN-UHFFFAOYSA-N
-rxn:4:185249:223179,CONC(=O)c1cc(-c2cc(OC)c(CN3CCCCC3C(F)(F)F)c(OC)c2)ccc1F,PPCBWADJSRRCEJ-UHFFFAOYSA-N
-rxn:4:185265:223279,CC(C)(C)OC(=O)CN1CC(c2cccc(-c3cnc(C4CCCN4)nc3)c2)OCC1=O,WWSVPPFKZSPSDJ-UHFFFAOYSA-N
-rxn:4:185266:223279,CC(C)CN(C1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(-c2cnc(C3CCCN3)nc2)cc1,OJEFWCXFKJARHX-UHFFFAOYSA-N
-rxn:4:185267:223179,CCOC(=O)C1CCN(S(=O)(=O)c2cc(C)cc(-c3ccc(F)c(C(=O)NOC)c3)c2)CC1,PLSGHGKEGXIGTO-UHFFFAOYSA-N
-rxn:4:185270:223179,CONC(=O)c1cc(-c2ccc(C3CCN(C(=O)OC(C)(C)C)C3)c(C(F)(F)F)c2)ccc1F,JFIQKYONNMTELQ-UHFFFAOYSA-N
-rxn:4:185270:226844,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2C(F)(F)F)C1,NVLNMIKISOMYDE-UHFFFAOYSA-N
-rxn:4:185278:224489,CC(C)N(Cc1ccc(F)cc1-c1cccc(C(=O)N2CCC(S(=O)(=O)Cc3ccco3)CC2)c1)C(C)C,XWUDXPOYPWPOSN-UHFFFAOYSA-N
-rxn:4:185301:224249,Cc1ccc(-c2cc(C(=O)N3CCCC(C)C3)ccc2F)cc1OCCCN1CCC(C)CC1,OUGYZVZSIBXZFV-UHFFFAOYSA-N
-rxn:4:185304:226844,CCN(C1CCCCC1)S(=O)(=O)c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)c(OC)c1,RREQTCQNYXPVIY-UHFFFAOYSA-N
-rxn:4:185307:223179,CCCOc1cc(S(=O)(=O)N2CCCC(C)C2)ccc1-c1ccc(F)c(C(=O)NOC)c1,IFGIEXWOLHSUFC-UHFFFAOYSA-N
-rxn:4:185325:223279,CC(C)Oc1cccc(-c2cnc(C3CCCN3)nc2)c1CN1CCCC(C(F)(F)F)C1,FVOYCICVSDPDLA-UHFFFAOYSA-N
-rxn:4:185326:223279,CC(C)Oc1cccc(-c2cnc(C3CCCN3)nc2)c1CN1CCC(C(F)(F)F)CC1,FXRSPFHSENZXEM-UHFFFAOYSA-N
-rxn:4:185326:226844,CC(C)Oc1cccc(-c2ccnc(C(=O)C(F)(F)F)c2)c1CN1CCC(C(F)(F)F)CC1,IRGLSCMTMVGGMV-UHFFFAOYSA-N
-rxn:4:185332:225384,CCc1ccccc1N(C(=O)c1ccc(-c2ccc(OC(F)(F)F)c([N+](=O)[O-])c2)cc1)C1C=CS(=O)(=O)C1,RZQZCFFFGNYWQQ-UHFFFAOYSA-N
-rxn:4:185347:223279,CCC1CCCCN1S(=O)(=O)c1cc(OC)c(-c2cnc(C3CCCN3)nc2)cc1OC,ZQVSCFQWZVZNMO-UHFFFAOYSA-N
-rxn:4:185348:226844,CCCOc1cc(S(=O)(=O)N2CC(C)OC(C)C2)ccc1-c1ccnc(C(=O)C(F)(F)F)c1,JCXSLJPFRKHHFY-UHFFFAOYSA-N
-rxn:4:185350:225312,CC(C)CS(=O)(=O)C1CCN(C(=O)c2cccc(-c3cnc(N4CCCN(C)CC4)nc3)c2)CC1,JTSIEEDFQRAZNV-UHFFFAOYSA-N
-rxn:4:185351:223179,CONC(=O)c1cc(-c2ccccc2C(=O)N2CCC(S(=O)(=O)CC(C)C)CC2)ccc1F,VOOXJAAWYHDVPC-UHFFFAOYSA-N
-rxn:4:185351:223279,CC(C)CS(=O)(=O)C1CCN(C(=O)c2ccccc2-c2cnc(C3CCCN3)nc2)CC1,PRVSOLDAWYACSN-UHFFFAOYSA-N
-rxn:4:185353:223279,CC(C)(C)S(=O)(=O)C1CCN(C(=O)Cc2ccc(-c3cnc(C4CCCN4)nc3)cc2)C1,UMIDERPEDAIAPP-UHFFFAOYSA-N
-rxn:4:185353:224129,CN(C(=O)c1cccc(-c2ccc(CC(=O)N3CCC(S(=O)(=O)C(C)(C)C)C3)cc2)c1)C1CCCCC1,GUNKPZMIQMPFDG-UHFFFAOYSA-N
-rxn:4:185365:223179,CONC(=O)c1cc(-c2ccc(OC)cc2C(=O)N2CCOC(c3ccc(C(F)(F)F)cc3)C2)ccc1F,AYBYRPSPBVJYEK-UHFFFAOYSA-N
-rxn:4:185367:225896,COCCOc1cc(-c2cc(C(C)C)ccc2OCC(=O)N2CCC(C)CC2)c(F)cc1F,HPQSYYGILYMHRZ-UHFFFAOYSA-N
-rxn:4:185372:223279,CCOC(=O)C1CCN(S(=O)(=O)c2cc(C)c(C)cc2-c2cnc(C3CCCN3)nc2)CC1,HWXMOKBNCUHXDP-UHFFFAOYSA-N
-rxn:4:185373:223279,CCOC(=O)C1CCN(S(=O)(=O)c2cc(-c3cnc(C4CCCN4)nc3)c(C)cc2C)CC1,GSTOZKUQMLNVGY-UHFFFAOYSA-N
-rxn:4:185375:223279,CC(C)CS(=O)(=O)C1CCN(S(=O)(=O)c2ccccc2-c2cnc(C3CCCN3)nc2)CC1,VHBUMTNMMQHYOW-UHFFFAOYSA-N
-rxn:4:185376:222742,CC(C)CS(=O)(=O)C1CCCN(S(=O)(=O)c2ccccc2-c2cc(C3CCNCC3)nc(C3CC3)c2)C1,HYRHVHAAKQBYHQ-UHFFFAOYSA-N
-rxn:4:185376:223279,CC(C)CS(=O)(=O)C1CCCN(S(=O)(=O)c2ccccc2-c2cnc(C3CCCN3)nc2)C1,FLPUEAOODWJSNS-UHFFFAOYSA-N
-rxn:4:185377:223279,CC(C)(C)OC(=O)N1CCC(S(=O)(=O)c2ccc(-c3cnc(C4CCCN4)nc3)cc2)CC1,FLZFWKZEEMXRKU-UHFFFAOYSA-N
-rxn:4:185382:223279,CC(C)(C)OC(=O)N1CCC(c2cc(-c3cnc(C4CCCN4)nc3)ccc2C(F)(F)F)CC1,LOHOGNASWWYJSD-UHFFFAOYSA-N
-rxn:4:185383:223179,CONC(=O)c1cc(-c2cc(C3CCN(C(=O)OC(C)(C)C)CC3)cc(C(F)(F)F)c2)ccc1F,WMHGEKNDNMBGOU-UHFFFAOYSA-N
-rxn:4:185384:223179,CONC(=O)c1cc(-c2ccc(C(F)(F)F)cc2C2CCCN(C(=O)OC(C)(C)C)C2)ccc1F,FXTKMPGVQRGZET-UHFFFAOYSA-N
-rxn:4:185387:223179,CONC(=O)c1cc(-c2ccc(C3CCN(C(=O)OC(C)(C)C)CC3)c(C(F)(F)F)c2)ccc1F,LIHYAWGWWSZKCZ-UHFFFAOYSA-N
-rxn:4:185387:223819,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3cc4cnccc4n3S(=O)(=O)c3ccccc3)cc2C(F)(F)F)CC1,MQEOCLFYSCVGGG-UHFFFAOYSA-N
-rxn:4:185388:223279,CC(C)(C)OC(=O)N1CCCC(c2ccc(-c3cnc(C4CCCN4)nc3)cc2C(F)(F)F)C1,AOQKIZRJLXGPHU-UHFFFAOYSA-N
-rxn:4:185388:226844,CC(C)(C)OC(=O)N1CCCC(c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2C(F)(F)F)C1,MPZQXZWXXXVFAK-UHFFFAOYSA-N
-rxn:4:185401:224891,CCCOc1cc(S(=O)(=O)N2CC(C)CC(C)C2)ccc1-c1cc(N2CCCC2)ccc1C1CC1,RDMBYXJZRVLRTN-UHFFFAOYSA-N
-rxn:4:185402:223279,CCCOc1ccc(-c2cnc(C3CCCN3)nc2)cc1S(=O)(=O)N1CC(C)CC(C)C1,LAINQNNZGNGTTM-UHFFFAOYSA-N
-rxn:4:185404:223179,CONC(=O)c1cc(-c2ccc(C3CC3)cc2C2CCN(C(=O)OC(C)(C)C)C2)ccc1F,SXVGDEYGAOMTPW-UHFFFAOYSA-N
-rxn:4:185407:223179,CONC(=O)c1cc(-c2cc(C3CCN(C(=O)OC(C)(C)C)CC3)ccc2OC)ccc1F,QMKBEMYKRRLLJM-UHFFFAOYSA-N
-rxn:4:185408:223179,CONC(=O)c1cc(-c2ccc(C3CC3)c(C3CCN(C(=O)OC(C)(C)C)C3)c2)ccc1F,CAKFHNQBRLWYDN-UHFFFAOYSA-N
-rxn:4:185409:223179,CONC(=O)c1cc(-c2cc(C3CC3)cc(C3CCN(C(=O)OC(C)(C)C)C3)c2)ccc1F,JNZAQKITKDATJB-UHFFFAOYSA-N
-rxn:4:185410:226844,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)c(C3CC3)c2)C1,DYJCUTGWPPQJJV-UHFFFAOYSA-N
-rxn:4:185411:222919,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc(C3CCN(C(=O)OC(C)(C)C)C3)c(C3CC3)c2)cc1,BUSYPGBXEICITG-UHFFFAOYSA-N
-rxn:4:185412:223179,CONC(=O)c1cc(-c2cc(C3CCN(C(=O)OC(C)(C)C)C3)ccc2C2CC2)ccc1F,ZPILTRCOCBRQNT-UHFFFAOYSA-N
-rxn:4:185415:223279,O=C(CC1CCCCC1)N(c1ccc(-c2cnc(C3CCCN3)nc2)cc1)C1C=CS(=O)(=O)C1,HTBKXNQBIQGHDW-UHFFFAOYSA-N
-rxn:4:185420:223179,CONC(=O)c1cc(-c2ccc(C3CC3)cc2C2CN(C(=O)OC(C)(C)C)CCO2)ccc1F,AXPKOULTXMOXHL-UHFFFAOYSA-N
-rxn:4:185423:225886,CC(C)(C)OC(=O)N1CCOC(c2cc(-c3ccc4c(ccn4S(C)(=O)=O)c3)cc(C3CC3)c2)C1,HMGRAXNKPJZIGL-UHFFFAOYSA-N
-rxn:4:185426:224818,COc1cc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)ccc1-c1ccc(S(=O)(=O)N2CCSCC2)cc1,AETDTJHACILXAX-UHFFFAOYSA-N
-rxn:4:185428:224291,CC1CCN(C(=O)COc2ccc(C(C)(C)C)cc2-c2ccc(OCCN3CCOCC3)c(F)c2)CC1,XHYNPPJCVZRVBR-UHFFFAOYSA-N
-rxn:4:185430:226844,CC1CN(C(=O)OC(C)(C)C)CCC1c1cc(-c2ccnc(C(=O)C(F)(F)F)c2)cc(C(F)(F)F)c1,LJKVFJAQBHHARC-UHFFFAOYSA-N
-rxn:4:185433:226844,CC(C)(C)OC(=O)N1CCC(c2cc(-c3ccnc(C(=O)C(F)(F)F)c3)cc(C3CC3)c2)CC1,XQXBMPQKPUKDQX-UHFFFAOYSA-N
-rxn:4:185438:223179,CONC(=O)c1cc(-c2ccc(S(=O)(=O)N3CCC(O[Si](C)(C)C(C)(C)C)CC3)cc2)ccc1F,PZGDXTAMROWPEO-UHFFFAOYSA-N
-rxn:4:185439:223179,CONC(=O)c1cc(-c2cc(C3CC3)cc(C3CCN(C(=O)OC(C)(C)C)CC3C)c2)ccc1F,VVOQWQBCJNRAIT-UHFFFAOYSA-N
-rxn:4:185439:226844,CC1CN(C(=O)OC(C)(C)C)CCC1c1cc(-c2ccnc(C(=O)C(F)(F)F)c2)cc(C2CC2)c1,YAPZBMBJDGJCJJ-UHFFFAOYSA-N
-rxn:4:185440:222722,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3cccc(S(=O)(=O)N4CCC(O)CC4)c3)c(F)c2)CC1,BSXWVTIDKWJJKZ-UHFFFAOYSA-N
-rxn:4:185442:223179,CONC(=O)c1cc(-c2cc(C3COC3)cc(C3CCN(C(=O)OC(C)(C)C)CC3C)c2)ccc1F,UUEQDVMDEDCLHL-UHFFFAOYSA-N
-rxn:4:185442:226844,CC1CN(C(=O)OC(C)(C)C)CCC1c1cc(-c2ccnc(C(=O)C(F)(F)F)c2)cc(C2COC2)c1,QERLGFDGGZEZQT-UHFFFAOYSA-N
-rxn:4:185446:223179,CONC(=O)c1cc(-c2ccc(C(C)N3CCC(O[Si](C)(C)C(C)(C)C)CC3)cc2)ccc1F,GKMHOKSUTQMSAT-UHFFFAOYSA-N
-rxn:4:185509:223179,CONC(=O)c1cc(-c2cc3c(cc2C(=O)OC)N(C(=O)OC(C)(C)C)CC3)ccc1F,DOULYKCHNLKNEB-UHFFFAOYSA-N
-rxn:4:185509:226844,COC(=O)c1cc2c(cc1-c1ccnc(C(=O)C(F)(F)F)c1)CCN2C(=O)OC(C)(C)C,DGNGQLBZBSOTKZ-UHFFFAOYSA-N
-rxn:4:185510:223179,CONC(=O)c1cc(-c2cc3c(c(C(=O)OC)c2)N(C(=O)OC(C)(C)C)CC3)ccc1F,RIMZNRYLUGBGHR-UHFFFAOYSA-N
-rxn:4:185511:223179,CONC(=O)c1cc(-c2cc(C(=O)OC)cc3c2CCN3C(=O)OC(C)(C)C)ccc1F,GZUIBNZBQSKPOK-UHFFFAOYSA-N
-rxn:4:185522:223179,CONC(=O)c1cc(-c2cc3c(c(OC(C)=O)c2)N(C(=O)OC(C)(C)C)CCO3)ccc1F,BJUNZRYNIKIXIM-UHFFFAOYSA-N
-rxn:4:185522:223279,CC(=O)Oc1cc(-c2cnc(C3CCCN3)nc2)cc2c1N(C(=O)OC(C)(C)C)CCO2,SEQUDJJPPBDCRC-UHFFFAOYSA-N
-rxn:4:185534:223179,CONC(=O)c1cc(-c2ccc3c(c2)C(C(=O)OC)CN(C(=O)OC(C)(C)C)C3)ccc1F,PPCSJGUAOKWOOX-UHFFFAOYSA-N
-rxn:4:185535:223179,CONC(=O)c1cc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)[C@H](C(=O)OC)C3)ccc1F,GMCXPGNNUONVII-FQEVSTJZSA-N
-rxn:4:185542:223179,CONC(=O)c1cc(-c2ccc3c(c2)C(CN(C)C(=O)OC(C)(C)C)OCC3)ccc1F,NLHKOVKTCNDBQI-UHFFFAOYSA-N
-rxn:4:185546:223179,CONC(=O)c1cc(-c2cc3c(c(C(=O)OC)c2)OCCN(C(=O)OC(C)(C)C)C3)ccc1F,VGBFIRVABDNAHX-UHFFFAOYSA-N
-rxn:4:185546:223279,COC(=O)c1cc(-c2cnc(C3CCCN3)nc2)cc2c1OCCN(C(=O)OC(C)(C)C)C2,HUMIMXBRECNGKR-UHFFFAOYSA-N
-rxn:4:185547:224413,CCOC(=O)C1CCN(C(=O)c2cc3cc(-c4c(OC)cc(C(F)(F)F)cc4C(F)(F)F)ccc3oc2=O)CC1,JAXDEFOXSDSRGV-UHFFFAOYSA-N
-rxn:4:185567:225607,CC(c1ccc(-c2ccccc2CCC(=O)N2C3CCC2CC(S(C)(=O)=O)C3)s1)N1CCCCC1,CPBUSESJKBKNOP-UHFFFAOYSA-N
-rxn:4:185578:223179,CONC(=O)c1cc(-c2ccc(-c3c(C(F)(F)F)oc4cc(OC(=O)N5CCOCC5)ccc4c3=O)cc2)ccc1F,KGHVJBDRIXORJH-UHFFFAOYSA-N
-rxn:4:185578:226844,O=C(Oc1ccc2c(=O)c(-c3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3)c(C(F)(F)F)oc2c1)N1CCOCC1,XLQCFTCJANFHDE-UHFFFAOYSA-N
-rxn:4:185580:223179,CCN(C(=O)c1cc2cc(-c3ccc(F)c(C(=O)NOC)c3)cc(OC)c2oc1=O)C1CCCCC1,QFIQWHWDEVCVQE-UHFFFAOYSA-N
-rxn:4:185580:226844,CCN(C(=O)c1cc2cc(-c3ccnc(C(=O)C(F)(F)F)c3)cc(OC)c2oc1=O)C1CCCCC1,HTFMDBMMRCKBBZ-UHFFFAOYSA-N
-rxn:4:185613:226844,COc1ccc(CCC(=O)N2CCC3(CC2)OC(=O)c2ccccc23)cc1-c1ccnc(C(=O)C(F)(F)F)c1,RRSSVTMQUKMNCC-UHFFFAOYSA-N
-rxn:4:185626:226844,CC(C)(C)OC(=O)N1CCC[C@H]1[C@@]1(c2ccccc2)Cc2c(cc(F)cc2-c2ccnc(C(=O)C(F)(F)F)c2)O1,MCQVVGZBPWQSOC-SVEHJYQDSA-N
-rxn:4:185627:223179,CONC(=O)c1cc(-c2cccc(CN(C(=O)c3oc4c(C)c(C)ccc4c3C)C3CCS(=O)(=O)C3)c2)ccc1F,BLVLKVSZVQVGJC-UHFFFAOYSA-N
-rxn:4:185628:226844,Cc1cc2oc(C(=O)N(Cc3cccc(-c4ccnc(C(=O)C(F)(F)F)c4)c3)C3CCS(=O)(=O)C3)c(C)c2cc1C,QBYYFCSMAAEJGP-UHFFFAOYSA-N
-rxn:4:185636:224485,CC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2ccc(C(=O)COC(=O)c3c4c(nc5ccccc35)CCCC4)cc2)c1,ZEVOVGYKZGYDMI-UHFFFAOYSA-N
-rxn:4:185644:222622,CCC(C)c1cc(-c2ccc3oc4c(c(=O)c3c2)C(c2ccc(C(=O)OC)cc2)N(CC2CCCO2)C4=O)cc(C2CCCNC2)n1,YQZHCYGUQWSTCO-UHFFFAOYSA-N
-rxn:4:185647:223179,CONC(=O)c1cc(-c2ccc3c(c2)CC[C@H]2N(C(=O)OC(C)(C)C)CC[C@@]32S(=O)(=O)c2ccc(F)cc2)ccc1F,ZHEKFFCPECTDBZ-DLFZDVPBSA-N
-rxn:4:185647:223279,CC(C)(C)OC(=O)N1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(-c4cnc(C5CCCN5)nc4)cc3CC[C@@H]12,HTPLYRVQCLEWSA-ZCYIESAJSA-N
-rxn:4:185647:226844,CC(C)(C)OC(=O)N1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3CC[C@@H]12,ZKZRMYVQRMRVCC-VAVYLYDRSA-N
-rxn:4:185746:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3ccnc(OC(C(F)(F)F)C(F)(F)F)c3)c2)CC1,RWUPIFXEFBKAEB-UHFFFAOYSA-N
-rxn:4:186035:223790,CCOC(=O)c1ccnc(-c2cncc(C3CCCN3C(=O)OC(C)(C)C)c2)c1C(F)(F)F,TWZKNHHHKCQVBL-UHFFFAOYSA-N
-rxn:4:186134:224010,COc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1cc(OC(F)(F)F)c([N+](=O)[O-])cc1S(C)(=O)=O,ZKSFTJPVZXNXCP-UHFFFAOYSA-N
-rxn:4:186135:224721,Cc1nn(CC(=O)OC(C)(C)C)c(C)c1-c1cc(OC(F)(F)F)c(S(C)(=O)=O)cc1[N+](=O)[O-],SEHQCPLDWVJWLP-UHFFFAOYSA-N
-rxn:4:186332:223845,COc1cc(C#N)c(-c2cc(F)c(F)cc2S(=O)(=O)N2CCN(C)CC2)cc1OC(C)C,AWLDGUCBZRUMCH-UHFFFAOYSA-N
-rxn:4:186432:223679,CCN1CCN(S(=O)(=O)c2c(C)cc(-c3ccc(Oc4ccccc4C(F)(F)F)c(C#N)c3)cc2C)CC1,MROBEWXZZKGCFA-UHFFFAOYSA-N
-rxn:4:186455:223834,CCN(C)C(=O)Cc1ccc(-c2cc(C)c(S(=O)(=O)N3CCN(C)CC3)c(C)c2)c(F)c1,SEUYJITUKWIYLT-UHFFFAOYSA-N
-rxn:4:186540:223179,CONC(=O)c1cc(-c2cc(C(=O)ON3C(=O)CCC3=O)cc(C(F)(F)F)c2)ccc1F,DJBRRCOCEXPBEA-UHFFFAOYSA-N
-rxn:4:186541:223179,CONC(=O)c1cc(-c2cccc(C(F)(F)F)c2C(=O)ON2C(=O)CCC2=O)ccc1F,YYIFHFIHSIEMTL-UHFFFAOYSA-N
-rxn:4:186542:223179,CONC(=O)c1cc(-c2ccc(C(F)(F)F)c(C(=O)ON3C(=O)CCC3=O)c2)ccc1F,XIWAGBOJXDFEIV-UHFFFAOYSA-N
-rxn:4:186543:223179,CONC(=O)c1cc(-c2cc(C(=O)ON3C(=O)CCC3=O)ccc2C(F)(F)F)ccc1F,CSJAWDJDIJWKMZ-UHFFFAOYSA-N
-rxn:4:186544:223179,CONC(=O)c1cc(-c2ccc(C(=O)ON3C(=O)CCC3=O)cc2C(F)(F)F)ccc1F,QCXDFNPTVBTENL-UHFFFAOYSA-N
-rxn:4:186545:223179,CONC(=O)c1cc(-c2cc(C(=O)ON3C(=O)CCC3=O)c(F)cc2C(F)(F)F)ccc1F,MNAMOCOPEGPFFR-UHFFFAOYSA-N
-rxn:4:186545:223279,O=C(ON1C(=O)CCC1=O)c1cc(-c2cnc(C3CCCN3)nc2)c(C(F)(F)F)cc1F,LISHNHLNZGCDGH-UHFFFAOYSA-N
-rxn:4:186660:222858,COc1cccc(-c2cccc(C(=O)NCCN(C)C)c2)c1C(=O)ON1C(=O)CCC1=O,XEVYZAQDIVECBN-UHFFFAOYSA-N
-rxn:4:186680:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3cc(OCC(C)C)c([N+](=O)[O-])cc3C)c2)CC1,KBYJGYWLEHGYTQ-UHFFFAOYSA-N
-rxn:4:186682:223562,CC(=O)c1ccc(-c2ccc(CC3CCN(C(=O)OC(C)(C)C)CC3)cc2)n1C(=O)OC(C)(C)C,TTYJULNCDPHFCT-UHFFFAOYSA-N
-rxn:4:186751:223179,CONC(=O)c1cc(-c2ccc(N(C(=O)C(F)(F)F)C3C=CS(=O)(=O)C3)cc2)ccc1F,HYBNIHVFKGRXPX-UHFFFAOYSA-N
-rxn:4:186751:226002,CC(=O)Oc1cc(-c2ccc(N(C(=O)C(F)(F)F)C3C=CS(=O)(=O)C3)cc2)ccc1[N+](=O)[O-],COSMCAHPVAHPME-UHFFFAOYSA-N
-rxn:4:186815:225355,COC(=O)c1ccc(-c2ccc(C(=O)N3CCOCC3)cc2OC(F)(F)F)c(C(F)(F)F)c1,OSRRUCNJFOPQCC-UHFFFAOYSA-N
-rxn:4:186818:222681,CC(C)(C)OC(=O)NCc1cccc(-c2cc(CN3CCC(F)(F)C3)cc(OC(F)(F)F)c2)c1F,FGQZXRWEJXCCAC-UHFFFAOYSA-N
-rxn:4:187003:224848,CC[C@H]1CC[C@H](c2ccc(-c3ccc(OCC(=O)N4CCCC(F)(F)C4)cc3)cc2)CC1,ZACBZBFCQQSNFW-MEMLXQNLSA-N
-rxn:4:187013:224410,O=C(c1ccc(-c2ccc(OCC(F)(F)F)c(C(F)(F)F)c2)cc1OC(F)(F)F)N1CCCCC1,FYTMKIKWFUFARS-UHFFFAOYSA-N
-rxn:4:187027:223279,O=C(c1cc(OC(F)(F)F)cc(-c2cnc(C3CCCN3)nc2)c1)N1CCC(F)(F)CC1,LIJFNLPHGBOMKC-UHFFFAOYSA-N
-rxn:4:187078:224805,CCOC(=O)c1cc(-c2cc(CN3CCOCC3)cc(C(=O)OC)c2)cc(C(F)(F)F)c1,KOMDIMLEJPIFOT-UHFFFAOYSA-N
-rxn:4:187082:223786,CN1CCN(CCCOc2ccc(-c3cc(F)c([N+](=O)[O-])c(OCC4CCCCC4)c3)cc2Cl)CC1,FANCJXUOXFKAJY-UHFFFAOYSA-N
-rxn:4:187090:224319,COC(=O)C1CC(C#N)(c2cccc(-c3ccc(S(=O)(=O)N4CCCCC4)cc3C)c2)CCC1=O,NYAIUVUDQVSCCP-UHFFFAOYSA-N
-rxn:4:187094:223179,CONC(=O)c1cc(-c2ccc(CN3CCC(F)(F)CC3)c(OC(F)(F)F)c2)ccc1F,HIXVEHKQGZAUAG-UHFFFAOYSA-N
-rxn:4:187107:222542,Cc1ccc(-c2ccc(OCCN3CCOCC3)c(C)c2)cc1OCCCN1CCNCC1,ZGIJQTSTSDJXEO-UHFFFAOYSA-N
-rxn:4:187110:223866,CC(C)N(C(C)C)S(=O)(=O)c1ccc(-c2ccccc2CN2C(C)(C)CCCC2(C)C)cc1,QLGGONUDOGDOCL-UHFFFAOYSA-N
-rxn:4:187146:223179,CONC(=O)c1cc(-c2ccc(F)cc2CC(=O)N2CCCC(C(F)(F)F)C2)ccc1F,RYIMPLPCSWOMLB-UHFFFAOYSA-N
-rxn:4:187147:223179,CONC(=O)c1cc(-c2ccc(F)cc2CC(=O)N2CCC(C(F)(F)F)CC2)ccc1F,WBDYBVLHKXGPLS-UHFFFAOYSA-N
-rxn:4:187152:223179,CONC(=O)c1cc(-c2cc(F)ccc2CC(=O)N2CCC(C(F)(F)F)CC2)ccc1F,GQFJCPOHCZKTJS-UHFFFAOYSA-N
-rxn:4:187157:225331,CCOc1cc(OC(F)(F)F)cc(-c2cccc(S(=O)(=O)CC(=O)N3CCCC(F)(F)C3)c2)c1,KSNOGZKYOHUVRG-UHFFFAOYSA-N
-rxn:4:187191:222740,CCCS(=O)(=O)N1CCCC1c1ccc(-c2cc(C(C)C)nc(C3CCCNC3)c2)cc1,PVZATMBQTDRQDA-UHFFFAOYSA-N
-rxn:4:187211:222913,CC(C)(C)OC(=O)N1CC(F)(c2ccc(-c3ccc(CNS(=O)(=O)C4CC4)cc3)cc2)C1,QPSFLAFOSMHITE-UHFFFAOYSA-N
-rxn:4:187230:222432,COC(=O)C1CCN(S(=O)(=O)c2ccccc2-c2ccc(S(=O)(=O)NC3CCCCC3)c3ccccc23)CC1,AJJWBVIHFRBUIL-UHFFFAOYSA-N
-rxn:4:187265:223179,CONC(=O)c1cc(-c2cccc(C(F)(F)F)c2C(=O)N2CCC(OC)CC2)ccc1F,CWSSDNPWILIJEY-UHFFFAOYSA-N
-rxn:4:187270:227333,CC(C)Oc1ccc(Cl)c(-c2ccc(C(F)(F)F)cc2CN2CCCC(C(F)(F)F)C2)c1,JBVYTBRBWRRUKA-UHFFFAOYSA-N
-rxn:4:187276:228804,CSc1ccc(-c2cc(C(F)(F)F)cc(S(=O)(=O)N3CCC(C(F)(F)F)CC3)c2)cc1Cl,YUXGQGFXYHTYOV-UHFFFAOYSA-N
-rxn:4:187297:222542,COC1CCN(CCc2ccc(-c3ccc(C)c(OCCCN4CCNCC4)c3)cc2)CC1,XONMXYUOHDEPHY-UHFFFAOYSA-N
-rxn:4:187299:223866,Cc1ccc(C(=O)N(C(C)C)C(C)C)cc1-c1ccccc1CN1C(C)(C)CCCC1(C)C,AYTSKZTVCWMURH-UHFFFAOYSA-N
-rxn:4:187299:224325,Cc1ccc(C(=O)N(C(C)C)C(C)C)cc1-c1ccc(C2=CCN(S(C)(=O)=O)CC2)cc1,DRFWCDGQGNYPQQ-UHFFFAOYSA-N
-rxn:4:187328:224670,CN1CCN(Cc2ccc(F)c(-c3ccc(C4COS(=O)(=O)N4C(=O)OC(C)(C)C)cc3)c2)CC1,JFFOJDYROGIPIF-UHFFFAOYSA-N
-rxn:4:187362:222442,COc1ccc(CN(C)C2CCOCC2)c(-c2ccc(S(=O)(=O)NC3CCCC3)c3ccccc23)c1,VNRHUCNCXKVHSS-UHFFFAOYSA-N
-rxn:4:187377:224198,CCN1CCN(Cc2ccc(-c3ccc(S(=O)(=O)CC(=O)N4CCC(C)CC4)cc3)c(F)c2)CC1,WDWALDSUSMFIFO-UHFFFAOYSA-N
-rxn:4:187378:225264,COC(=O)c1ccc(-c2ccccc2S(=O)(=O)CC(=O)N2CCCC(C)C2)cc1C(=O)OC,VIFGILAPEDLPEX-UHFFFAOYSA-N
-rxn:4:187388:223180,CONC(=O)c1ccc(-c2ccc(CC(=O)N3CCC(C(F)(F)F)CC3)cc2C)cc1F,SNMFZFQDIQKXGU-UHFFFAOYSA-N
-rxn:4:187389:225341,CCOc1ccc(OC(F)(F)F)c(-c2ccc(CC(=O)N3CCCC(C(F)(F)F)C3)cc2C)c1,NUUAWRWUSFXAAS-UHFFFAOYSA-N
-rxn:4:187410:224713,CCCCOc1ccc(-c2cccc(OCC(=O)N3C(C)CCCC3C)c2)c(C(F)(F)F)c1,GXYOMASALDMLNC-UHFFFAOYSA-N
-rxn:4:187465:223971,Cc1cc(OC2CCN(C(=O)c3ccc(-c4cc(N5CCC(C)CC5)cc(C(F)(F)F)c4)o3)CC2)cc(=O)o1,UOCLNRBASZIBKQ-UHFFFAOYSA-N
-rxn:4:187496:223076,CC(C)(C)OC(=O)N1CCOCC1c1ccc(-c2cccc(S(=O)(=O)NC3CC3)c2)cc1,IQWFJMJAJAAPHO-UHFFFAOYSA-N
-rxn:4:187506:223098,CC(=O)NS(=O)(=O)c1ccc(-c2ccc(C3CN(C(=O)OC(C)(C)C)CCO3)cc2F)cc1,VPVUEGKPQIYLMT-UHFFFAOYSA-N
-rxn:4:187550:223179,CONC(=O)c1cc(-c2cc(OC)c(S(=O)(=O)N3CCCCCC3)cc2OC)ccc1F,XHNPNBTVTGQDSL-UHFFFAOYSA-N
-rxn:4:187552:226086,CCCCCOc1cccc(-c2ccc(OCC)c(S(=O)(=O)N3CC(C)OC(C)C3)c2)c1,VHECNNILSXAEFT-UHFFFAOYSA-N
-rxn:4:187561:226926,Cc1cc(C(C)(C)C)ccc1-c1ccc(Cl)c(C(=O)N2CCC(S(=O)(=O)C(C)(C)C)C2)c1,QFKITDCZPICMSF-UHFFFAOYSA-N
-rxn:4:187581:223805,CC1CN(C(=O)OC(C)(C)C)CCC1c1cc(-c2ccccc2OCc2ccc(C(F)(F)F)cc2)co1,MQCLFXXCUFLKGB-UHFFFAOYSA-N
-rxn:4:187584:223179,CONC(=O)c1cc(-c2ccc(Cl)cc2C2CCCN(C(=O)OC(C)(C)C)C2)ccc1F,AAEFFGRSDGWQLS-UHFFFAOYSA-N
-rxn:4:187586:223179,CONC(=O)c1cc(-c2ccc(C3CCCN(C(=O)OC(C)(C)C)C3)c(Cl)c2)ccc1F,ZCYZOKGQYBOQLP-UHFFFAOYSA-N
-rxn:4:187587:224251,CC1CCCN(C(=O)c2ccc(-c3ccc(C4CCN(C(=O)OC(C)(C)C)CC4)c(Cl)c3)c(F)c2)C1,AXQHTVPIBCNIHK-UHFFFAOYSA-N
-rxn:4:187588:226844,CC(C)(C)OC(=O)N1CCC(F)(c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2)CC1,NZHKHJWKEYEMNI-UHFFFAOYSA-N
-rxn:4:187589:226239,CCCOC(=O)c1ccc(-c2cc(C3CCCN(C(=O)OC(C)(C)C)C3)ccc2F)cc1,OSKGEECAGUIWTA-UHFFFAOYSA-N
-rxn:4:187590:226844,CC(C)(C)OC(=O)N1CCCC(c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)c(F)c2)C1,ZCEMHISNZBQAHF-UHFFFAOYSA-N
-rxn:4:187593:223179,CONC(=O)c1cc(-c2ccc(C3CCCN(C(=O)OC(C)(C)C)C3)c(F)c2)ccc1F,AXERHVGJDTWLTO-UHFFFAOYSA-N
-rxn:4:187595:223179,CONC(=O)c1cc(-c2cc(F)cc(C3CCN(C(=O)OC(C)(C)C)CC3)c2)ccc1F,KHZVLFIFYGJMIY-UHFFFAOYSA-N
-rxn:4:187597:223279,O=C(c1cccc(-c2cnc(C3CCCN3)nc2)c1)N1CC(S(=O)(=O)C2CCCCC2)C1,RSUOUJQXUGOSNP-UHFFFAOYSA-N
-rxn:4:187598:223279,O=C(c1ccccc1-c1cnc(C2CCCN2)nc1)N1CC(S(=O)(=O)C2CCCCC2)C1,CXBYVRZMCLTJDD-UHFFFAOYSA-N
-rxn:4:187598:225208,Cc1nc(N2CCCC(C)C2)ncc1-c1ccccc1C(=O)N1CC(S(=O)(=O)C2CCCCC2)C1,LOOPGBHCTFDTQV-UHFFFAOYSA-N
-rxn:4:187626:223179,CCOc1ccc(-c2ccc(F)c(C(=O)NOC)c2)cc1S(=O)(=O)N1CC(C)CC(C)C1,DNYWRRNEAWEGMB-UHFFFAOYSA-N
-rxn:4:187628:223179,CCOc1cc(S(=O)(=O)N2CC(C)CC(C)C2)ccc1-c1ccc(F)c(C(=O)NOC)c1,VITLBEFJBJAJGV-UHFFFAOYSA-N
-rxn:4:187629:223179,CONC(=O)c1cc(-c2cc(S(=O)(=O)N(C)C3CCCCC3)c(OC)cc2C)ccc1F,XGMHSGOIXCAMEJ-UHFFFAOYSA-N
-rxn:4:187632:223187,CONS(=O)(=O)c1cccc(-c2ccc(C3(C)CN(C(=O)OC(C)(C)C)CCO3)cc2)c1,RILKNOWZWCJCKA-UHFFFAOYSA-N
-rxn:4:187634:223279,O=C(C1CCCCC1)N(c1ccc(-c2cnc(C3CCCN3)nc2)cc1)C1C=CS(=O)(=O)C1,AXDHPCNTGXYBKG-UHFFFAOYSA-N
-rxn:4:187643:226844,O=C(CCc1ccccc1-c1ccnc(C(=O)C(F)(F)F)c1)N1CCC2(CC1)OCCCO2,IEZZXDCWGUHDQG-UHFFFAOYSA-N
-rxn:4:187644:223179,CONC(=O)c1cc(-c2cc(OC)c(S(=O)(=O)N3CC(C)CC(C)C3)cc2OC)ccc1F,DDEVZYRUNQFYEQ-UHFFFAOYSA-N
-rxn:4:187648:223179,CONC(=O)c1cc(-c2ccc(C3(C)CCCN(C(=O)OC(C)(C)C)C3=O)cc2)ccc1F,VXKRPDXTZFTOMT-UHFFFAOYSA-N
-rxn:4:187657:226844,CCN(C1CCCCC1)S(=O)(=O)c1cc(C)c(C)cc1-c1ccnc(C(=O)C(F)(F)F)c1,VGHJOGCGBQYTBA-UHFFFAOYSA-N
-rxn:4:187659:223836,COc1ncnc2c1cc(-c1ccc(C3(C)CCN(C(=O)OC(C)(C)C)CC3)cc1)n2C(=O)OC(C)(C)C,KQGSAKFXGVBJMK-UHFFFAOYSA-N
-rxn:4:187659:226844,CC(C)(C)OC(=O)N1CCC(C)(c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2)CC1,CGPCNSFJLNBPHW-UHFFFAOYSA-N
-rxn:4:187660:223179,CONC(=O)c1cc(-c2ccc(C)cc2C2CCCN(C(=O)OC(C)(C)C)C2)ccc1F,QBPKIIRKHBZDRZ-UHFFFAOYSA-N
-rxn:4:187661:226844,Cc1c(-c2ccnc(C(=O)C(F)(F)F)c2)cccc1C1CCN(C(=O)OC(C)(C)C)CC1,XVQALXGJWWCJKT-UHFFFAOYSA-N
-rxn:4:187663:223179,CONC(=O)c1cc(-c2ccc(C3CCCN(C(=O)OC(C)(C)C)C3)c(C)c2)ccc1F,QTQRTKKZKWXULC-UHFFFAOYSA-N
-rxn:4:187666:226844,Cc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1C1CCN(C(=O)OC(C)(C)C)CC1,FYQITOVYCJWCQI-UHFFFAOYSA-N
-rxn:4:187667:226844,Cc1c(-c2ccnc(C(=O)C(F)(F)F)c2)cccc1C1CCCN(C(=O)OC(C)(C)C)C1,JGNOBTSGZPFTBA-UHFFFAOYSA-N
-rxn:4:187670:223593,CC1CN(C(=O)OC(C)(C)C)CCC1c1cc(Cl)cc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c(Cl)c2)c1,QUHYTWPZIMPXRN-UHFFFAOYSA-N
-rxn:4:187670:223823,CC1CN(C(=O)OC(C)(C)C)CCC1c1cc(Cl)cc(-c2cnn(C3CCN(C(=O)OC(C)(C)C)CC3)c2)c1,XVGGAZFXVRGJGG-UHFFFAOYSA-N
-rxn:4:187671:226538,CCOC(=O)c1cc(Cl)ccc1-c1cc(CN2CCC(C(F)(F)F)CC2)cc(C(C)(C)C)c1,QCAKDMHXAOEIIY-UHFFFAOYSA-N
-rxn:4:187672:223179,CONC(=O)c1cc(-c2cc(CN3CCCC(C(F)(F)F)C3)cc(C(C)(C)C)c2)ccc1F,MYSFZDUNXNSWCQ-UHFFFAOYSA-N
-rxn:4:187672:223279,CC(C)(C)c1cc(CN2CCCC(C(F)(F)F)C2)cc(-c2cnc(C3CCCN3)nc2)c1,VMPVSKZDIZIINJ-UHFFFAOYSA-N
-rxn:4:187672:226844,CC(C)(C)c1cc(CN2CCCC(C(F)(F)F)C2)cc(-c2ccnc(C(=O)C(F)(F)F)c2)c1,ZBNKJKMVZKGROO-UHFFFAOYSA-N
-rxn:4:187673:223179,CONC(=O)c1cc(-c2cc(F)cc(C3CCN(C(=O)OC(C)(C)C)CC3C)c2)ccc1F,UIKQQTTVYRZTQV-UHFFFAOYSA-N
-rxn:4:187690:223179,CONC(=O)c1cc(-c2ccc(C(=O)c3cccc(CN4CCC5(CC4)OCCO5)c3)cc2F)ccc1F,NAXRGEUMKKSNEU-UHFFFAOYSA-N
-rxn:4:187896:224082,CCC(C(=O)OC(C)(C)C)c1cccc(-c2c(OC)ccc3cc(C(=O)C(C)=CN(C)C)ccc23)c1,DVJAWRXDEDPPDT-UHFFFAOYSA-N
-rxn:4:187942:224722,CN(C(=O)OC(C)(C)C)c1cc(-c2cccc3c2cc([Si](C)(C)C)n3C(=O)OC(C)(C)C)ccn1,NPSIWZWAPFBHMF-UHFFFAOYSA-N
-rxn:4:187948:223179,CONC(=O)c1cc(-c2ccc(OC)cc2C(=O)N2C3CCC2CC(S(C)(=O)=O)C3)ccc1F,IHYHKZAQTQKHQV-UHFFFAOYSA-N
-rxn:4:187951:223557,Cc1cc(S(=O)(=O)Oc2ccc(Cl)c3cccnc23)c(C(C)C)cc1-c1c(F)ccc2c1ccn2[Si](C(C)C)(C(C)C)C(C)C,AIRNPDIVBGJLTR-UHFFFAOYSA-N
-rxn:4:187952:224355,COc1ccc(C2SCCN2C(=O)c2cc3cc(-c4ccc(N5CCC6(CC5)OCCO6)nc4)ccc3oc2=O)cc1,QJOPMDGKBSPJEC-UHFFFAOYSA-N
-rxn:4:187971:223838,CC(C)[Si](C(C)C)(C(C)C)n1ccc2ccc(-c3ccc(N4CCN(S(=O)(=O)N(C)C)CC4)cc3)cc21,XTICZTMVHHMGSG-UHFFFAOYSA-N
-rxn:4:187995:223179,CCc1cc(-c2ccc(F)c(C(=O)NOC)c2)cc2c1OC1(CCN(C(=O)OC(C)(C)C)C1)CC2=O,OIWYENCICYJJFO-UHFFFAOYSA-N
-rxn:4:187995:226844,CCc1cc(-c2ccnc(C(=O)C(F)(F)F)c2)cc2c1OC1(CCN(C(=O)OC(C)(C)C)C1)CC2=O,OZSXSEJOOPBALA-UHFFFAOYSA-N
-rxn:4:187996:223179,CONC(=O)c1cc(-c2ccc3c(c2)OC(C2CCN(C(=O)OC(C)(C)C)CC2)CC3=O)ccc1F,ZOGWJRPKMXAXEB-UHFFFAOYSA-N
-rxn:4:187996:226844,CC(C)(C)OC(=O)N1CCC(C2CC(=O)c3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3O2)CC1,WMZSODSDKOFBGG-UHFFFAOYSA-N
-rxn:4:187999:223179,CONC(=O)c1cc(-c2cc(OC)c3c(c2)C(=O)CC2(CCN(C(=O)OC(C)(C)C)CC2)O3)ccc1F,KXAMHXDIESYYFI-UHFFFAOYSA-N
-rxn:4:187999:223279,COc1cc(-c2cnc(C3CCCN3)nc2)cc2c1OC1(CCN(C(=O)OC(C)(C)C)CC1)CC2=O,LLLIZCCTFAKBJZ-UHFFFAOYSA-N
-rxn:4:187999:226844,COc1cc(-c2ccnc(C(=O)C(F)(F)F)c2)cc2c1OC1(CCN(C(=O)OC(C)(C)C)CC1)CC2=O,FKZWSNXYHPNMCF-UHFFFAOYSA-N
-rxn:4:187999:229033,COc1cc(-c2ccc(C)c(Cl)c2)cc2c1OC1(CCN(C(=O)OC(C)(C)C)CC1)CC2=O,AVQDJIYWBKVBOK-UHFFFAOYSA-N
-rxn:4:188011:224458,CC(=O)N(c1ccc2oc3c(c2c1)CCCC3)S(=O)(=O)c1ccc(-c2ccc(C(C)N3CCC(C)CC3)cc2)cc1,NQJRQKAYCBBHPW-UHFFFAOYSA-N
-rxn:4:188014:222443,COc1ccc(CNC(=O)c2cc(F)cc(-c3ccc(C(=O)Oc4ccccc4N4C(=O)C5C6CCC(C6)C5C4=O)cc3)c2)cc1,VWZMNOPKOMKNEF-UHFFFAOYSA-N
-rxn:4:188014:223279,O=C(Oc1ccccc1N1C(=O)C2C3CCC(C3)C2C1=O)c1ccc(-c2cnc(C3CCCN3)nc2)cc1,NKCZATSYVRWYOT-UHFFFAOYSA-N
-rxn:4:188014:224428,CCCCOc1ccc2cc(-c3ccc(C(=O)Oc4ccccc4N4C(=O)C5C6CCC(C6)C5C4=O)cc3)ccc2c1,FTPCDXKEBPQZQD-UHFFFAOYSA-N
-rxn:4:188026:223179,CONC(=O)c1cc(-c2ccc3oc4c(c(=O)c3c2)C(c2ccc(C(C)C)cc2)N(CC2CCCO2)C4=O)ccc1F,PLFNHIATVOQGDS-UHFFFAOYSA-N
-rxn:4:188027:223179,CONC(=O)c1cc(-c2ccc3oc4c(c(=O)c3c2)C(c2ccc(C(C)(C)C)cc2)N(CC2CCCO2)C4=O)ccc1F,OEAZTFAHVPXHSM-UHFFFAOYSA-N
-rxn:4:188027:226844,CC(C)(C)c1ccc(C2c3c(oc4ccc(-c5ccnc(C(=O)C(F)(F)F)c5)cc4c3=O)C(=O)N2CC2CCCO2)cc1,WVRSSGLUDVCYHO-UHFFFAOYSA-N
-rxn:4:188160:223790,CC(C)(C)OC(=O)N1CCCC1c1cncc(-c2cccc([N+](=O)[O-])c2OC(F)(F)F)c1,OJGDSCUAQNMZQC-UHFFFAOYSA-N
-rxn:4:188545:223559,COC(=O)c1ccc(OC)nc1-c1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)OC(C)(C)C,QUQKDHNUFQYUAG-UHFFFAOYSA-N
-rxn:4:188618:223533,CCOc1c(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)cc2F)ccc([N+](=O)[O-])c1F,XRYQYROLLSXNLF-UHFFFAOYSA-N
-rxn:4:188700:223559,COC(OC)c1sc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)nc1C,CTAAIJMAJAPLDY-UHFFFAOYSA-N
-rxn:4:189276:223559,COC(=O)c1sc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)nc1C(C)(C)C,CLZDIHUZOLOGPO-UHFFFAOYSA-N
-rxn:4:189342:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cncc(F)c3C(=O)OC(C)(C)C)c(F)c2)CC1,SSKZTYMRNLLNHE-WGSAOQKQSA-N
-rxn:4:189680:223884,CC(C)(C)OC(=O)N1CCc2cc(-c3cc(F)ccc3CC(=O)N3CCCC3)ccc2C1,WGPKYOOPZQGVBB-UHFFFAOYSA-N
-rxn:4:189720:224633,COc1ccc(CN2CCOCC2)cc1-c1cc(OC(F)(F)F)cc(N2CCOCC2)c1,HPRIOODDTNKVEW-UHFFFAOYSA-N
-rxn:4:189837:223490,Cc1ccc(-c2coc(CN3CCC(C(F)(F)F)CC3)c2)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,NCHHMMYKUQPWTL-UHFFFAOYSA-N
-rxn:4:189872:223699,O=C(c1cc(C(F)(F)F)ccc1-c1ccc(S(=O)(=O)N2CCOCC2)cc1C(F)(F)F)N1CCSCC1,XIEPIRJZHVUEIR-UHFFFAOYSA-N
-rxn:4:189935:223970,COC(=O)c1cc(-c2ccc(C)c(S(=O)(=O)N3CCC(C)CC3)c2)ccc1N1CCOCC1,HPLGUEIFBXXALD-UHFFFAOYSA-N
-rxn:4:189998:223568,Cc1ccc(-c2cnc3c(ccn3[Si](C(C)C)(C(C)C)C(C)C)c2Cl)c(/C=N/S(=O)C(C)(C)C)c1,VVKQKXHYBCBHQT-WCMJOSRZSA-N
-rxn:4:190006:222619,CC(=NS(=O)C(C)(C)C)c1cc(-c2ccc(CNC(=O)C3CCCCC3)cc2)ccc1F,BXFPEOSEHFZWQE-UHFFFAOYSA-N
-rxn:4:190008:222784,Cc1cc(OC2CCOCC2)c(-c2ccc(NC(=O)OC(C)(C)C)c(F)c2)cc1[N+](=O)[O-],MCGADNJMPASXNB-UHFFFAOYSA-N
-rxn:4:190085:222780,CN(C)CCNC(=O)c1cc(F)cc(-c2cccc(C(F)(F)F)c2C(=O)N2CCC(F)(F)CC2)c1,FFMVUTBUYWVPJH-UHFFFAOYSA-N
-rxn:4:190178:223279,O=S(=O)(c1ccc(-c2cnc(C3CCCN3)nc2)cc1C(F)(F)F)N1CCCC(F)(F)C1,RBYQTKLUNAWFBV-UHFFFAOYSA-N
-rxn:4:190179:223279,O=S(=O)(c1ccc(-c2cnc(C3CCCN3)nc2)cc1C(F)(F)F)N1CCC(F)(F)CC1,HCSCEJURCWZUOH-UHFFFAOYSA-N
-rxn:4:190199:223841,Cc1cc(F)c(-c2ccc(Cl)cc2CN(C)C2CCOCC2)cc1S(=O)(=O)N1CCN(C)CC1,WEEKPCMSIQRFTC-UHFFFAOYSA-N
-rxn:4:190218:223992,CCC(=O)C1CCCN(c2cccc(-c3ccc(C)c(S(=O)(=O)N4CCN(C)CC4)c3)c2)C1=O,CNMAYKAQLSUDJE-UHFFFAOYSA-N
-rxn:4:190224:224780,CS(=O)(=O)c1cc(-c2ccc(C3CCOC3)c(C(F)(F)F)c2)ccc1CN1CCOCC1,DPCGLWMFQDQFPN-UHFFFAOYSA-N
-rxn:4:190268:224352,CC1CCCN(C(=O)Cc2ccc(-c3ccc(C4CCCOC4)c(C(F)(F)F)c3)c(F)c2)C1,FCPJZCDHTHVRDS-UHFFFAOYSA-N
-rxn:4:190322:222822,CCS(=O)(=O)N1CCC(c2ccc(-c3cc(S(=O)(=O)NC4CC4)c(C)cc3F)cc2)CC1,KBJNYUNZZFJBAR-UHFFFAOYSA-N
-rxn:4:190330:222648,Cc1cc(C)c(-c2ccc(C3CCCN3S(=O)(=O)C(C)C)cc2)cc1NC(=O)OC(C)(C)C,PMDOYBHPICHYNG-UHFFFAOYSA-N
-rxn:4:190339:223497,CC(c1ccc(-c2cccc(C(C)N3CCCC(C(F)(F)F)C3)c2)cc1)N1CCC(O[Si](C)(C)C(C)(C)C)CC1,CWIWMCDFRARWPF-UHFFFAOYSA-N
-rxn:4:190356:223179,CONC(=O)c1cc(-c2cc(C(=O)N3CCC4(CC3)CC4)ccc2C(F)(F)F)ccc1F,LJJRCGWHWJVJPF-UHFFFAOYSA-N
-rxn:4:190366:223841,Cc1cc(F)c(-c2ccc(C3CCCN3CC3CCC3)cc2)cc1S(=O)(=O)N1CCN(C)CC1,BUCYXZLNQXYKDN-UHFFFAOYSA-N
-rxn:4:190375:225278,COC(=O)c1ccc(C(=O)OC)c(-c2ccc(OC)c(S(=O)(=O)N3CCCC(C)C3)c2)c1,FVTPFTPDAIMBRG-UHFFFAOYSA-N
-rxn:4:190384:222936,CCC(=O)NS(=O)(=O)c1ccc(-c2cccc(N3CCCC(C(=O)C(C)C)C3=O)c2)cc1,KWPLNRLPEQKAEY-UHFFFAOYSA-N
-rxn:4:190402:223528,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3ccccc3-c3cccc(C(=O)N4CCOCC4)c3)ccc2F)CC1,NCWKKBDWRWFQFR-UHFFFAOYSA-N
-rxn:4:190452:223279,COc1ccc(-c2cnc(C3CCCN3)nc2)cc1S(=O)(=O)N1CCC2(CC1)OCCO2,BBJCENKHRUVTQN-UHFFFAOYSA-N
-rxn:4:190463:223179,CONC(=O)c1cc(-c2cc(C)c(S(=O)(=O)N3CC(C)OC(C)C3)cc2OC)ccc1F,SBTGCPJCFPZNPR-UHFFFAOYSA-N
-rxn:4:190472:225717,CCC1CCCCN1S(=O)(=O)c1cc(C)c(C)cc1-c1cc(F)ccc1COCCOC,UWAQIDXVXZXQDW-UHFFFAOYSA-N
-rxn:4:190487:223179,CONC(=O)c1cc(-c2cc(C)c(S(=O)(=O)N3CC(C)CC(C)C3)cc2OC)ccc1F,HYSHGPGEDAMEBH-UHFFFAOYSA-N
-rxn:4:190487:226844,COc1cc(S(=O)(=O)N2CC(C)CC(C)C2)c(C)cc1-c1ccnc(C(=O)C(F)(F)F)c1,OVGMVCPNIXCYDF-UHFFFAOYSA-N
-rxn:4:190488:223179,CONC(=O)c1cc(-c2cc(S(=O)(=O)N3CC(C)CC(C)C3)c(OC)cc2C)ccc1F,KPHDQYIRNCPRQE-UHFFFAOYSA-N
-rxn:4:190498:223179,CONC(=O)c1cc(-c2cc(C(C)C)c(S(=O)(=O)N3CCCCCC3)cc2C)ccc1F,XZSMGRGCWWKCRV-UHFFFAOYSA-N
-rxn:4:190498:226844,Cc1cc(S(=O)(=O)N2CCCCCC2)c(C(C)C)cc1-c1ccnc(C(=O)C(F)(F)F)c1,VHWLVTGJAGNJRK-UHFFFAOYSA-N
-rxn:4:190499:223179,CONC(=O)c1cc(-c2c(C)cc(C)c(S(=O)(=O)N(C)C3CCCCC3)c2C)ccc1F,YYHJWZMUVURXOI-UHFFFAOYSA-N
-rxn:4:190499:226844,Cc1cc(C)c(S(=O)(=O)N(C)C2CCCCC2)c(C)c1-c1ccnc(C(=O)C(F)(F)F)c1,QJKNEXKMPVDKEJ-UHFFFAOYSA-N
-rxn:4:190823:223581,COC(=O)c1cccc2cc(-c3ccc4c(c3)CN(C(=O)OC(C)(C)C)C4=O)n(C(=O)OC(C)(C)C)c12,ONIOPILQLHRWGS-UHFFFAOYSA-N
-rxn:4:190867:224301,CC(C)(C)[Si](C)(C)Oc1cc(F)c(F)c(-c2ccccc2CC(=O)N2CC3CC2CS3(=O)=O)c1,UHIDTHLJYJTTKD-UHFFFAOYSA-N
-rxn:4:190958:224396,Cc1cc(-c2cccc3c2N(C(=O)OC(C)(C)C)CCC3)ccc1S(=O)(=O)N1CCOCC1,SKNFPHHOPNYEHY-UHFFFAOYSA-N
-rxn:4:190976:223072,CCCNS(=O)(=O)c1ccc(-c2ccc3c(c2)C(F)(F)CN(C(=O)OC(C)(C)C)C3)cc1,WOYJHDQIMUJYQS-UHFFFAOYSA-N
-rxn:4:190983:222759,Cc1cc(NC(=O)OC(C)(C)C)cc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)CCO3)c1,QFUWQFZTYZNCIA-UHFFFAOYSA-N
-rxn:4:190988:224485,CC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2ccc3c(c2)OCCN(C(=O)OC(C)(C)C)C3)c1,BECQAWALYYVNFH-UHFFFAOYSA-N
-rxn:4:191006:225987,COC1CC2CCC(C1)N2S(=O)(=O)c1ccc(-c2ccc(N3CCCS3(=O)=O)cc2)cc1,KVNOSPRKIPDFKQ-UHFFFAOYSA-N
-rxn:4:191008:222881,CC(C)(C)NC(=O)c1ccc(-c2ccc3c(c2)C(=O)N(C(=O)OC(C)(C)C)C3(C)C)c(F)c1,CEOZURHHTWSHRU-UHFFFAOYSA-N
-rxn:4:191008:222905,CC(C)(C)OC(=O)Nc1ncccc1-c1ccc2c(c1)C(=O)N(C(=O)OC(C)(C)C)C2(C)C,SYOATNFMRFTDFN-UHFFFAOYSA-N
-rxn:4:191023:223767,CC1Oc2ccccc2C(=O)N(CC(=O)c2ccc(-c3cc4ccc(C#N)cc4n3C(=O)OC(C)(C)C)cc2)C1=O,JCLRRZYTKWBWSM-UHFFFAOYSA-N
-rxn:4:191042:225232,CC1CCN(c2cc(-c3ccc4c(c3)C(=O)C3(C4)CN(C(=O)OC(C)(C)C)C3)cnc2Cl)CC1,ZWLDPPNWTMABKE-UHFFFAOYSA-N
-rxn:4:191055:223653,COc1cc2cc(-c3ccc4c(c3)C3(CC3)CN(C(=O)OC(C)(C)C)C4)n(C(=O)OC(C)(C)C)c2cc1Cl,CCEUDQJGJFAONB-UHFFFAOYSA-N
-rxn:4:191062:223279,CS(=O)(=O)C1CC2CCC(C1)N2S(=O)(=O)c1ccccc1-c1cnc(C2CCCN2)nc1,JTQYOLYKGMYJOZ-UHFFFAOYSA-N
-rxn:4:191067:224421,CC(C)c1cc(C(C)C)c(-c2cc(C3SCCN3S(=O)(=O)c3ccc4c(c3)CCO4)ccc2F)c(C(C)C)c1,SJZNDERAXZDTIV-UHFFFAOYSA-N
-rxn:4:191071:223179,CONC(=O)c1cc(-c2ccc3c(c2)CN(CCC2=CCCCC2)C(=O)CO3)ccc1F,PRSGZGYARDNVBD-UHFFFAOYSA-N
-rxn:4:191091:222922,CC(C)(C)NS(=O)(=O)c1ccccc1-c1cccc2c1CN(C(=O)OC(C)(C)C)CC2(C)C,OJTZUUABADNJLA-UHFFFAOYSA-N
-rxn:4:191091:224276,CC(C)(C)OC(=O)N1Cc2c(-c3cn(C(=O)OC(C)(C)C)c4cccnc34)cccc2C(C)(C)C1,WFHFAVZOJXUWSX-UHFFFAOYSA-N
-rxn:4:191092:223098,CC(=O)NS(=O)(=O)c1ccc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)C(C)(C)C3)cc1,BAIZWVSETMHONX-UHFFFAOYSA-N
-rxn:4:191092:225901,Cc1nn(C(=O)OC(C)(C)C)cc1-c1ccc2c(c1)CN(C(=O)OC(C)(C)C)C(C)(C)C2,HQYLUWYOBCDXTA-UHFFFAOYSA-N
-rxn:4:191094:223179,CONC(=O)c1cc(-c2ccc3c(c2)C2(CCCC2)C(=O)N3C(=O)OC(C)(C)C)ccc1F,LTRKEAUKCKSCJE-UHFFFAOYSA-N
-rxn:4:191094:223279,CC(C)(C)OC(=O)N1C(=O)C2(CCCC2)c2cc(-c3cnc(C4CCCN4)nc3)ccc21,HVRITIVWBHEMDC-UHFFFAOYSA-N
-rxn:4:191097:225330,COC(=O)c1cc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)cc(C(=O)OC)n1,KMQVZHWZLIQBCN-UHFFFAOYSA-N
-rxn:4:191098:223179,CONC(=O)c1cc(-c2ccc3c(c2)C(=O)CC2(CCN(C(=O)OC(C)(C)C)C2)O3)ccc1F,JQJGVDKLZBEMJB-UHFFFAOYSA-N
-rxn:4:191100:222395,CC(C)(C)OC(=O)N1C(=O)C2(CCOCC2)c2ccc(-c3cccc(C(=O)NC4CCC(O)CC4)c3)cc21,VFYDFDUJSSPFEU-UHFFFAOYSA-N
-rxn:4:191100:223179,CONC(=O)c1cc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)C(=O)C32CCOCC2)ccc1F,GKCOUUDJGJRHCQ-UHFFFAOYSA-N
-rxn:4:191104:223279,CC(C)(C)OC(=O)N1CCC2(CC1)COc1ccc(-c3cnc(C4CCCN4)nc3)cc12,YXLGPTQFHULFNL-UHFFFAOYSA-N
-rxn:4:191106:223179,CONC(=O)c1cc(-c2ccc3c(c2)C2(CCOCC2)CN3C(=O)OC(C)(C)C)ccc1F,QSDFFVFJQMWYGK-UHFFFAOYSA-N
-rxn:4:191106:223279,CC(C)(C)OC(=O)N1CC2(CCOCC2)c2cc(-c3cnc(C4CCCN4)nc3)ccc21,WAKCRTIYHKWYHW-UHFFFAOYSA-N
-rxn:4:191116:226844,CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)c1cc(-c3ccnc(C(=O)C(F)(F)F)c3)ccc12,JZCQLJGQFRIMJC-UHFFFAOYSA-N
-rxn:4:191117:226844,CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)c1cccc(-c3ccnc(C(=O)C(F)(F)F)c3)c12,GFCXOPASDKTEAY-UHFFFAOYSA-N
-rxn:4:191118:223179,CONC(=O)c1cc(-c2ccc3c(c2)C2(CCN(C(=O)OC(C)(C)C)CC2)CC3=O)ccc1F,TXQUFUJMSJVSDJ-UHFFFAOYSA-N
-rxn:4:191118:223279,CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)c1ccc(-c3cnc(C4CCCN4)nc3)cc12,RVEFBIZPMPXPTN-UHFFFAOYSA-N
-rxn:4:191118:226844,CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)c1ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc12,ZTYBZEMMDKWXSF-UHFFFAOYSA-N
-rxn:4:191120:223279,CC(C)(C)OC(=O)N1CCC2(CC1)Cc1cc(F)c(-c3cnc(C4CCCN4)nc3)cc1C2=O,GJISQDQLEHMFQW-UHFFFAOYSA-N
-rxn:4:191121:223279,CC(C)(C)OC(=O)N1CCC2(CC1)Cc1ccc(-c3cnc(C4CCCN4)nc3)c(F)c1C2=O,FGNRUKMBKAJKEV-UHFFFAOYSA-N
-rxn:4:191123:224423,CCC[C@H]1CC[C@H](c2ccc(-c3cccc4c3C3(CC4)CCN(C(=O)OC(C)(C)C)CC3)cc2)CC1,JRTXFIBDPLCGQP-SOAUALDESA-N
-rxn:4:191124:223179,CONC(=O)c1cc(-c2ccc3c(c2)C2(CC3)CCN(C(=O)OC(C)(C)C)CC2)ccc1F,GEAAPBHBHNANJI-UHFFFAOYSA-N
-rxn:4:191124:226058,CC(C)c1cccc(C(C)C)c1-c1ccc2c(c1)C1(CC2)CCN(C(=O)OC(C)(C)C)CC1,SLJMCXNQRVLGGB-UHFFFAOYSA-N
-rxn:4:191126:223179,CONC(=O)c1cc(-c2ccc3c(c2)C(=O)CC2(CCN(C(=O)OC(C)(C)C)CC2)O3)ccc1F,WBUGLANAGBDJSF-UHFFFAOYSA-N
-rxn:4:191127:223179,CONC(=O)c1cc(-c2ccc3c(c2)OC2(CCN(C(=O)OC(C)(C)C)CC2)CC3=O)ccc1F,ZQQHRDXWDPTXDD-UHFFFAOYSA-N
-rxn:4:191129:223577,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3ccc4c(c3)CCC3(CCN(C(=O)OC(C)(C)C)CC3)O4)cc2)CC1,DZLOQLOLIYVYMB-UHFFFAOYSA-N
-rxn:4:191129:226844,CC(C)(C)OC(=O)N1CCC2(CCc3cc(-c4ccnc(C(=O)C(F)(F)F)c4)ccc3O2)CC1,RFKIOJWUIHCIGW-UHFFFAOYSA-N
-rxn:4:191129:226995,CC(C)CSc1ccc(-c2ccc3c(c2)CCC2(CCN(C(=O)OC(C)(C)C)CC2)O3)cc1,OYGBPPPPGKAYRW-UHFFFAOYSA-N
-rxn:4:191130:226844,CC(C)(C)OC(=O)N1CCC2(CCc3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3O2)CC1,YEQLYKLTZNAUAF-UHFFFAOYSA-N
-rxn:4:191136:223179,CONC(=O)c1cc(-c2ccc(C3OC4(C(=O)c5ccccc5C4=O)C4C(=O)N(c5cccc(C(F)(F)F)c5)C(=O)C34)cc2)ccc1F,FOEPXDGYNHGZKC-UHFFFAOYSA-N
-rxn:4:191172:226844,CC1=CC(C)(C)N2C(=O)C(=O)c3cc(OC(=O)c4ccc(-c5ccnc(C(=O)C(F)(F)F)c5)cc4)cc1c32,KCJPZCFQNOGDAA-UHFFFAOYSA-N
-rxn:4:191173:226589,CC1=CC(C)(C)N2C(=O)C(=O)c3cc(OC(=O)c4cccc(-c5cc(C(F)F)ncc5C(C)C)c4)cc1c32,XRUXXQKOWDZWOS-UHFFFAOYSA-N
-rxn:4:191184:222740,CC(C)c1cc(-c2ccc3oc4c(c(=O)c3c2)C(c2ccc(Cl)cc2)N(CC2CCCO2)C4=O)cc(C2CCCNC2)n1,RMYWXEZSFPSCEY-UHFFFAOYSA-N
-rxn:4:191186:222798,Cc1cc(S(=O)(=O)NC(C)(C)C)ccc1-c1cccc(C2c3c(oc4ccc(F)cc4c3=O)C(=O)N2CC2CCCO2)c1,ZNBWNRMSXWKNEL-UHFFFAOYSA-N
-rxn:4:191186:224805,CCOC(=O)c1cc(-c2cccc(C3c4c(oc5ccc(F)cc5c4=O)C(=O)N3CC3CCCO3)c2)cc(C(F)(F)F)c1,BHTZVYKQBUNZIB-UHFFFAOYSA-N
-rxn:4:191204:223179,CONC(=O)c1cc(-c2ccc3c(c2)C2CC(C)(O3)N(C)C(=O)C2S(=O)(=O)c2ccc(C(C)(C)C)cc2)ccc1F,YNBKVUNHNADAOR-UHFFFAOYSA-N
-rxn:4:191204:226844,CN1C(=O)C(S(=O)(=O)c2ccc(C(C)(C)C)cc2)C2CC1(C)Oc1ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc12,PLUUJQWUQDGCBH-UHFFFAOYSA-N
-rxn:4:191592:223559,COC(=O)c1nc(Cl)c(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)cc1F,OYAIJXIZKMSPRD-UHFFFAOYSA-N
-rxn:4:191623:223536,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cc(C(F)(F)F)c(F)cc3[N+](=O)[O-])cc(F)c2F)CC1,TVGVCRMCBHCXDC-UHFFFAOYSA-N
-rxn:4:192114:222519,CC(C)(C)OC(=O)Nc1ccc(C(F)(F)F)cc1-c1ccc(C(=O)N2CC(F)(F)C2)o1,INABOGMHLKAUEJ-UHFFFAOYSA-N
-rxn:4:192564:223669,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cc(Cl)ccc3C3(C#N)CCC3)cn2)CC1,VHCPYTYOLOALGF-UHFFFAOYSA-N
-rxn:4:192567:223669,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc(Cl)c(C4(C#N)CCC4)c3)cn2)CC1,HXVMIJBWYCRMCS-UHFFFAOYSA-N
-rxn:4:192585:223669,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc(F)c(C4(C#N)CCC4)c3)cn2)CC1,XFHBLIGXMLSFPR-UHFFFAOYSA-N
-rxn:4:192588:223687,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3cc(F)ccc3C3(C#N)CCC3)cn2)CC1,RSQJHRXNMSELKP-UHFFFAOYSA-N
-rxn:4:192822:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3cccc(N4CC(F)(F)C4)c3C(F)(F)F)c2)CC1,SEBMKNPOANKOMF-UHFFFAOYSA-N
-rxn:4:193015:223598,Cc1cc(S(=O)(=O)N(C)C)ccc1-c1ccc(OCCN2CCC3(CC2)OCCO3)c(F)c1,AJAZXSBMWPLSNQ-UHFFFAOYSA-N
-rxn:4:193303:224934,O=S(=O)(c1cc(-c2cccc(OCCN3CCCC3)c2)c(F)cc1F)N1CCC(F)(F)C1,JQHAHLPLPTYGSA-UHFFFAOYSA-N
-rxn:4:193357:223540,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1cccc(S(=O)(=O)N2CCOCC2)c1,UTXYSNNDIJCUIY-UHFFFAOYSA-N
-rxn:4:193506:224420,Cc1cc2c(cc1-c1ccc(S(=O)(=O)N3CCC(=O)CC3)c(Cl)c1)C(C)(C)CCC2(C)C,CQESEMRWGSHCNC-UHFFFAOYSA-N
-rxn:4:193513:223769,CC(C)(C)OC(=O)n1c(-c2ccc(C(=O)N3CCCC(F)(F)C3)cc2F)cc2cccc(C#N)c21,SUAVYUQXCSWVSD-UHFFFAOYSA-N
-rxn:4:193518:222944,CC1=CC(=O)C=CC1=NS(=O)(=O)c1ccc(-c2ccc(S(=O)(=O)NC3CC3)cc2F)cc1,HKHCREADCPTZPV-UHFFFAOYSA-N
-rxn:4:193518:225160,CC1=CC(=O)C=CC1=NS(=O)(=O)c1ccc(-c2ccc(Cl)c(C(=O)N3CCCC3)c2)cc1,USNAYUPEKVSQQC-UHFFFAOYSA-N
-rxn:4:193575:222522,COc1ccc(-c2ccc(C3CCCN3S(C)(=O)=O)cc2)cc1S(=O)(=O)N1CCC(O)CC1,ZXTILJZYZWXHKM-UHFFFAOYSA-N
-rxn:4:193693:222523,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc(C3=CCN(S(C)(=O)=O)CC3)cc2)c(C(F)(F)F)c1,HTZMETWYPUMLKZ-UHFFFAOYSA-N
-rxn:4:193693:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3ccc(C4=CCN(S(C)(=O)=O)CC4)cc3)cc2)CC1,LIBBKNBOWCAKGD-UHFFFAOYSA-N
-rxn:4:193729:222583,CC(C)(C)[C@H]1COC(c2cccc(-c3ccc(C(=O)NCCN4CCOCC4)cc3)c2)=N1,LNLYGCOATKHGLP-HSZRJFAPSA-N
-rxn:4:193732:223648,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc(C4(C#N)CCCCCC4)cc3)cc2)CC1,FMBVFXJDCPIGNR-UHFFFAOYSA-N
-rxn:4:193732:224017,N#CC1(c2ccc(-c3ccc(N4CCCS4(=O)=O)cc3C(F)(F)F)cc2)CCCCCC1,RKNHPBYAKWFCLQ-UHFFFAOYSA-N
-rxn:4:193759:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3cc(C(=O)N4CCCCC4C)ccc3F)c2)CC1,UXYVSVGDXRCOFL-UHFFFAOYSA-N
-rxn:4:193762:224080,CC1CCCCN1C(=O)c1cccc(-c2ccc(OCCCN3CCCCC3)cc2)c1F,ILCGQAQGFLZERH-UHFFFAOYSA-N
-rxn:4:193832:224285,Cc1cc(S(=O)(=O)N2CCCC2)c(C)cc1-c1ccc(OCCN2CCOCC2)cc1F,LJPVOALHQPZWEJ-UHFFFAOYSA-N
-rxn:4:193838:223490,Cc1cc(C)c(S(=O)(=O)N2CCCC2)cc1-c1ccc(C)c(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1,QDMQNZXECMDKMB-UHFFFAOYSA-N
-rxn:4:193915:222465,c1cc(C2CCN(C3COC3)CC2)ccc1-c1cc(C2CCCCC2)nc(C2CCCNC2)c1,OSVHQOMMLBWWAV-UHFFFAOYSA-N
-rxn:4:193977:223279,O=S(=O)(c1cc(F)c(F)cc1-c1cnc(C2CCCN2)nc1)N1CCC2(CC1)OCCO2,AYYWXRYSCJRQDO-UHFFFAOYSA-N
-rxn:4:193989:222752,Cc1cc(NC(=O)OC(C)(C)C)ccc1-c1ccc(S(=O)(=O)N2CCOC23CCCCC3)cc1,ZKMANASBTYCKMN-UHFFFAOYSA-N
-rxn:4:193993:224170,Cc1cc(C)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc(OCCCN2CCCC2)c(Cl)c1,AQRHJZADPTYATH-UHFFFAOYSA-N
-rxn:4:193994:222826,Cc1cc(C)c(S(=O)(=O)N2CCCC(C)C2)cc1-c1cccc(S(=O)(=O)N2CCNCC2)c1,WYIVFQIQJORZRP-UHFFFAOYSA-N
-rxn:4:194537:223889,CC(C)CN1C(=O)COc2ccc(-c3cccc4c3CN(C(=O)OC(C)(C)C)CC4)cc21,LKRXBVJRTQHJFU-UHFFFAOYSA-N
-rxn:4:194649:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc2c(c1)C=C(C(=O)N1CCOCC1)C=CO2,DINFKMXZIIHYML-UHFFFAOYSA-N
-rxn:4:194687:223179,CONC(=O)c1cc(-c2cccc3c2C2(CCN(C(=O)C(F)(F)F)CC2)CC3=O)ccc1F,UKJOQJSFZRGQCJ-UHFFFAOYSA-N
-rxn:4:194712:224740,CN(C(C)(C)C)S(=O)(=O)c1cccc(-c2ccc3c(c2)C(N2CCCC(C(F)(F)F)C2)CC3)c1,DLFXNFSRMDUXFD-UHFFFAOYSA-N
-rxn:4:194781:222582,O=C(NCCN1CCOCC1)c1cccc(-c2ccc(C(=O)N3CCC4(CC3)CC(=O)c3ccccc3O4)cc2)c1,QVMPKZWEMCOTOQ-UHFFFAOYSA-N
-rxn:4:194789:223179,CONC(=O)c1cc(-c2ccccc2N2C(=O)C3C(c4ccccc4)OC4(C(=O)c5ccccc5C4=O)C3C2=O)ccc1F,CTAQTNRMIUBJOO-UHFFFAOYSA-N
-rxn:4:194797:223179,CONC(=O)c1cc(-c2ccccc2N2C(=O)C3C(c4ccc(C)cc4)OC4(C(=O)c5ccccc5C4=O)C3C2=O)ccc1F,CJVXHKDFOUZTIH-UHFFFAOYSA-N
-rxn:4:194798:223786,Cc1ccc(C2OC3(C(=O)c4ccccc4C3=O)C3C(=O)N(c4ccc(-c5ccc(OCCCN6CCN(C)CC6)c(Cl)c5)cc4)C(=O)C23)cc1,RPUMZHAZTFMELV-UHFFFAOYSA-N
-rxn:4:194799:223179,CONC(=O)c1cc(-c2ccc(N3C(=O)C4C(c5ccccc5C)OC5(C(=O)c6ccccc6C5=O)C4C3=O)cc2)ccc1F,DNNIRTUKJKFHSI-UHFFFAOYSA-N
-rxn:4:194800:223279,Cc1cccc(C2OC3(C(=O)c4ccccc4C3=O)C3C(=O)N(c4ccccc4-c4cnc(C5CCCN5)nc4)C(=O)C23)c1,USNNFZJYGGXITB-UHFFFAOYSA-N
-rxn:4:194802:223179,CONC(=O)c1cc(-c2ccc(C3OC4(C(=O)c5ccccc5C4=O)C4C(=O)N(c5ccc(C)c(C)c5)C(=O)C34)cc2)ccc1F,LQJDXTMPLRBRBS-UHFFFAOYSA-N
-rxn:4:194855:223179,CONC(=O)c1cc(-c2ccc3c(c2)C2CC(C)(O3)N(C)C(=O)C2S(=O)(=O)c2ccc(C)cc2)ccc1F,GGRVGPNXPNSHTA-UHFFFAOYSA-N
-rxn:4:195617:223491,Cc1c(F)ccc(-c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)cc(C(F)(F)F)c2)c1[N+](=O)[O-],AXFHMJLPJYIKBZ-UHFFFAOYSA-N
-rxn:4:197013:223490,Cc1cnc(C2CCOCC2)cc1-c1ccc(C)c(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1,WOLMPTQBYVKAGT-UHFFFAOYSA-N
-rxn:4:197799:223712,CCN1Cc2cc(-c3ccc(OC)c(C45CC6CC(CC(C6)C4)C5)c3)ccc2OCC1=O,HSXSNLHLHUFIFU-UHFFFAOYSA-N
-rxn:4:197892:223557,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3cccc4c3CN(C(C)(C)C)S4(=O)=O)c(F)ccc21,FMJPTOBRWLGGPD-UHFFFAOYSA-N
-rxn:4:197946:222538,c1cc2c(cc1-c1cc(C3CCCC3)nc(C3CCNCC3)c1)CCCC2N1CCCC1,HKKGMUQRADFOSA-UHFFFAOYSA-N
-rxn:4:197965:224352,FC(F)(F)c1cc(-c2ccc3c(C4=CCC5(CC4)OCCO5)c[nH]c3c2)ccc1C1CCCOC1,BHSGSUGAGFXAKJ-UHFFFAOYSA-N
-rxn:4:197969:222634,CC1CCCN(C2CCc3ccc(-c4ccc(OCCNC5CCCC5)c(F)c4)cc32)C1,NMKFUDDUYMYRAT-UHFFFAOYSA-N
-rxn:4:197973:223922,CC1CCN(C2CCc3c(-c4ccc(Cl)c(C(=O)N(C)C5CCCCC5)c4)cccc32)CC1,KAAIORDICGBTJV-UHFFFAOYSA-N
-rxn:4:197991:222777,CC1CCN(C2CCCc3cc(-c4ccc(CN5CCC(O)CC5)c(Cl)c4)ccc32)CC1,UQIXBOPHIDXNBX-UHFFFAOYSA-N
-rxn:4:197991:224653,CC1CCN(C2CCCc3cc(-c4ccc(Cl)cc4OCC4CCCCO4)ccc32)CC1,BLLDPXPKDDVOGQ-UHFFFAOYSA-N
-rxn:4:199145:223594,CN1C(=O)c2cc(-c3cc(Cl)cc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)ccc2S1(=O)=O,CMWDADCPDDKGOO-UHFFFAOYSA-N
-rxn:4:199518:223179,CONC(=O)c1cc(-c2cnccc2OC2CCN(C(=O)CCC(F)(F)F)C2)ccc1F,FSVOOZDCAWTOLX-UHFFFAOYSA-N
-rxn:4:199536:222722,CCN(Cc1ccc(-c2cccc(S(=O)(=O)N3CCC(O)CC3)c2)cn1)C(=O)OC(C)(C)C,LDQWOGULEJDZMV-UHFFFAOYSA-N
-rxn:4:199547:222945,CC(C)NS(=O)(=O)c1ccc(-c2ccnc(N(CC3CC3)C(=O)OC(C)(C)C)c2)cc1F,DCKHLNQEXQEOJR-UHFFFAOYSA-N
-rxn:4:199575:227538,COC(=O)c1ccc(Cl)cc1-c1cc([N+](=O)[O-])ccc1OCCN1CCC(C(F)(F)F)CC1,RGUUDEVRTBLCST-UHFFFAOYSA-N
-rxn:4:199576:223179,CONC(=O)c1cc(-c2cc(OC3CN(C(=O)OC(C)(C)C)C3)c([N+](=O)[O-])cc2Cl)ccc1F,CMZIDHZVKDRALM-UHFFFAOYSA-N
-rxn:4:199576:223279,CC(C)(C)OC(=O)N1CC(Oc2cc(-c3cnc(C4CCCN4)nc3)c(Cl)cc2[N+](=O)[O-])C1,XBNLZWLBDNTKHN-UHFFFAOYSA-N
-rxn:4:199620:223279,CC(=O)OC(C)(C)C(=O)N1CCC(Oc2ncccc2-c2cnc(C3CCCN3)nc2)C1,KXFWUWGHSMEKHJ-UHFFFAOYSA-N
-rxn:4:199645:223179,CONC(=O)c1cc(-c2cccc(OCC3CCCN3C(=O)OC(C)(C)C)n2)ccc1F,QENHRRJVEUWYSL-UHFFFAOYSA-N
-rxn:4:199646:223179,CONC(=O)c1cc(-c2cccc(SCC3CCCN3C(=O)OC(C)(C)C)n2)ccc1F,CCKTWVBPGGAJJT-UHFFFAOYSA-N
-rxn:4:199650:224356,Cc1cc(-c2cc3sc(Cl)cc3n2C(=O)OC(C)(C)C)cnc1OCC1CN(C(=O)OC(C)(C)C)C1,CVDXBGYLFXGSKF-UHFFFAOYSA-N
-rxn:4:199652:223279,CC(C)(C)OC(=O)N1CCC(Oc2ccc([N+](=O)[O-])c(-c3cnc(C4CCCN4)nc3)c2)C1,NISFFJWOLBWTED-UHFFFAOYSA-N
-rxn:4:199653:223179,CONC(=O)c1cc(-c2cc(OC3CN(C(=O)OC(C)(C)C)C3)c([N+](=O)[O-])cc2C)ccc1F,ZCPJLGPGQIDCJE-UHFFFAOYSA-N
-rxn:4:199653:223279,Cc1cc([N+](=O)[O-])c(OC2CN(C(=O)OC(C)(C)C)C2)cc1-c1cnc(C2CCCN2)nc1,PNBCHAHLALRGPN-UHFFFAOYSA-N
-rxn:4:199653:226844,Cc1cc([N+](=O)[O-])c(OC2CN(C(=O)OC(C)(C)C)C2)cc1-c1ccnc(C(=O)C(F)(F)F)c1,UAIZOHLTJQHGMH-UHFFFAOYSA-N
-rxn:4:199654:226844,CCOC(=O)N1CCN(S(=O)(=O)c2cc(-c3ccnc(C(=O)C(F)(F)F)c3)ccc2OC)CC1,PHGDLHAODJYJBU-UHFFFAOYSA-N
-rxn:4:199669:223179,CONC(=O)c1cc(-c2cnccc2OC2CCN(C(=O)CSC3CCCC3)C2)ccc1F,PDCIDTXNLURMHA-UHFFFAOYSA-N
-rxn:4:199687:226549,CCOc1c(Cl)cc(-c2cccnc2OC2CCN(C(=O)c3ccc(OC(F)(F)F)cc3)CC2)cc1OC,GLYVRHICJGCGTH-UHFFFAOYSA-N
-rxn:4:199690:225671,CC(C)(C)OC(=O)N(Cc1cncc(-c2cc(C3CCCCC3)ncc2F)c1)C1CCCC1,UHLCDMQJIGIIGN-UHFFFAOYSA-N
-rxn:4:199691:226089,CCCOc1cc(S(=O)(=O)N2CCN(C(C)=O)CC2)ccc1-c1ccccc1CN(CC)CC,VGCBWPZYBGUSAY-UHFFFAOYSA-N
-rxn:4:199691:226844,CCCOc1cc(S(=O)(=O)N2CCN(C(C)=O)CC2)ccc1-c1ccnc(C(=O)C(F)(F)F)c1,FKGWHOSVGADQGH-UHFFFAOYSA-N
-rxn:4:199692:224962,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3ccccc3COC3CCOCC3)cc2C#N)CC1,OCEDROYYQMTTKQ-UHFFFAOYSA-N
-rxn:4:199694:223179,CONC(=O)c1cc(-c2ccc(OC)c(CCC(=O)N3CCC(N4C(=O)CSC4=O)C3)c2)ccc1F,PYWHYFXWFQDVPO-UHFFFAOYSA-N
-rxn:4:199704:223179,CONC(=O)c1cc(-c2ccc(C3=NN(C(=O)C(F)(F)F)C(c4cccc(OC)c4OC)C3)cc2)ccc1F,MTGLUZRMCLAVNZ-UHFFFAOYSA-N
-rxn:4:199704:223279,COc1cccc(C2CC(c3ccc(-c4cnc(C5CCCN5)nc4)cc3)=NN2C(=O)C(F)(F)F)c1OC,PELYTNAPPFQAEK-UHFFFAOYSA-N
-rxn:4:199704:226844,COc1cccc(C2CC(c3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3)=NN2C(=O)C(F)(F)F)c1OC,ZVRWVFXNHMBHPD-UHFFFAOYSA-N
-rxn:4:199707:223279,CC(C)(C)OC(=O)N1CCCC(CSc2cccc(-c3cnc(C4CCCN4)nc3)n2)C1,WHHLPOCKVVMQAA-UHFFFAOYSA-N
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-rxn:4:200361:222752,Cc1cc(NC(=O)OC(C)(C)C)ccc1-c1cncc(C(=O)OCC(=O)N2CCC(C)CC2)c1,NAYRORKBPVMXKJ-UHFFFAOYSA-N
-rxn:4:200372:223279,O=C(CCc1ccccc1-c1cnc(C2CCCN2)nc1)N1CC(N2C(=O)CSC2=O)C1,HIDMUYQXTRENTB-UHFFFAOYSA-N
-rxn:4:200440:223179,CCN1CCN(C(=O)c2cc(OC(F)(F)F)cc(-c3ccc(F)c(C(=O)NOC)c3)c2)CC1,WAKOKKZQMIYNJT-UHFFFAOYSA-N
-rxn:4:200465:224703,COCCCN1CCN(c2ccc(-c3cc(C4CCCC4)cc(C(F)(F)F)c3)cc2)CC1,DASBYTBPMJJRDR-UHFFFAOYSA-N
-rxn:4:200467:225901,CCN1CCN(CCOc2ccc(-c3cn(C(=O)OC(C)(C)C)nc3C)cc2F)CC1,ZKBRANVTOHZSHK-UHFFFAOYSA-N
-rxn:4:200508:223683,CC(C)(C)OC(=O)N1CCC(Oc2ncc(-c3ccc(OC4CCN(C(=O)Cc5ccc(F)cc5F)C4)nc3)cn2)C1,UIFAJEZXGGDKFT-UHFFFAOYSA-N
-rxn:4:200563:226844,O=C(c1ccccc1-c1ccnc(C(=O)C(F)(F)F)c1)N1CCC(CSC2=NCCS2)CC1,CBAVHEJMZBDIKZ-UHFFFAOYSA-N
-rxn:4:200566:223279,CCOc1cc(S(=O)(=O)N2CCN(C(C)=O)CC2)ccc1-c1cnc(C2CCCN2)nc1,GASITHPRBHFYPV-UHFFFAOYSA-N
-rxn:4:200567:223279,CCOC(=O)N1CCN(S(=O)(=O)c2ccc(-c3cnc(C4CCCN4)nc3)c(C)c2)CC1,LJONXISGCKVIRR-UHFFFAOYSA-N
-rxn:4:200568:223279,CCOc1ccc(-c2cnc(C3CCCN3)nc2)cc1S(=O)(=O)N1CCN(C(C)=O)CC1,JZUUXXJNBZICAU-UHFFFAOYSA-N
-rxn:4:200596:223179,CONC(=O)c1cc(-c2cccc(OC3CCN(C(=O)OC(C)(C)C)CC3)n2)ccc1F,NDURSMAMPKWRRT-UHFFFAOYSA-N
-rxn:4:200598:223179,CCOc1ccc(-c2ccc(F)c(C(=O)NOC)c2)cc1S(=O)(=O)N1CCN(CC)CC1,COQUPIFPSVTSHZ-UHFFFAOYSA-N
-rxn:4:200599:226844,CCOc1cc(S(=O)(=O)N2CCN(CC)CC2)ccc1-c1ccnc(C(=O)C(F)(F)F)c1,OPKUTUOWNHYDBU-UHFFFAOYSA-N
-rxn:4:200602:223179,CONC(=O)c1cc(-c2ccc(OC3CCN(C(=O)OC(C)(C)C)CC3)nc2)ccc1F,GTLMKQJFTZZNRQ-UHFFFAOYSA-N
-rxn:4:200605:223179,CONC(=O)c1cc(-c2ccc(OC3CCN(C(=O)OC(C)(C)C)C3)nc2C)ccc1F,GIUJCMXEQJPGOI-UHFFFAOYSA-N
-rxn:4:200607:223179,CONC(=O)c1cc(-c2cccnc2OC2CCN(C(=O)OC(C)(C)C)CC2)ccc1F,RVYKWNVDNUVOLC-UHFFFAOYSA-N
-rxn:4:200610:223179,CONC(=O)c1cc(-c2cnc(OC3CCN(C(=O)OC(C)(C)C)CC3)c(F)c2)ccc1F,RJTVYIXFPQYGAD-UHFFFAOYSA-N
-rxn:4:200615:226844,COc1cc(S(=O)(=O)N2CCN(C(C)=O)CC2)c(OC)cc1-c1ccnc(C(=O)C(F)(F)F)c1,SLNGFGLIZLSZOV-UHFFFAOYSA-N
-rxn:4:200627:226844,CC(C)(C)OC(=O)N1CCOC(c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)c(C(F)(F)F)n2)C1,DIRBSSCNYKGXMN-UHFFFAOYSA-N
-rxn:4:200633:225103,CCN(CC)C(=O)c1cc(Cl)cc(-c2ccc(OC)c(S(=O)(=O)N3CCN(C(=O)c4ccco4)CC3)c2)c1,VZIIXGYKTYRRQG-UHFFFAOYSA-N
-rxn:4:200644:223279,CCN1CCN(S(=O)(=O)c2cc(OC)c(-c3cnc(C4CCCN4)nc3)cc2OC)CC1,LGOYZEOIJYZRGS-UHFFFAOYSA-N
-rxn:4:200645:223179,CONC(=O)c1cc(-c2ccc(CSC3=NCCN3C(=O)C3CCCCC3)cc2)ccc1F,MYPSLGDYJMWGQE-UHFFFAOYSA-N
-rxn:4:200646:223179,CONC(=O)c1cc(-c2cncc(C(=O)N3CCC(S(=O)(=O)CC(C)C)CC3)c2)ccc1F,BNTJSKFQKNYZHP-UHFFFAOYSA-N
-rxn:4:200646:223279,CC(C)CS(=O)(=O)C1CCN(C(=O)c2cncc(-c3cnc(C4CCCN4)nc3)c2)CC1,QRGUCNCPXDNFKM-UHFFFAOYSA-N
-rxn:4:200646:224970,CC(C)CS(=O)(=O)C1CCN(C(=O)c2cncc(-c3ccc(S[Si](C)(C)C(C)(C)C)cc3)c2)CC1,RRXMKLZCWFTQKN-UHFFFAOYSA-N
-rxn:4:200646:226746,CCc1cnc(C(F)(F)F)cc1-c1cncc(C(=O)N2CCC(S(=O)(=O)CC(C)C)CC2)c1,XGRYGMSMXGIIDQ-UHFFFAOYSA-N
-rxn:4:200647:222524,CC(C)(C)OC(=O)N1CCC(C#N)(c2ccc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCC(O)CC3)cc2)CC1,NFDMVEYQOLQDOU-UHFFFAOYSA-N
-rxn:4:200655:223179,CONC(=O)c1cc(-c2ccc(C3CCN(C(=O)OC(C)(C)C)CC3)c(C#N)c2)ccc1F,NZBFGKFYGJWMKZ-UHFFFAOYSA-N
-rxn:4:200655:223279,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3cnc(C4CCCN4)nc3)cc2C#N)CC1,GVLKJBQPOLUZOD-UHFFFAOYSA-N
-rxn:4:200656:223279,CC(C)(C)OC(=O)N1CCC(c2ccc(C#N)c(-c3cnc(C4CCCN4)nc3)c2)CC1,ZGSXPURISQAROS-UHFFFAOYSA-N
-rxn:4:200661:223179,CONC(=O)c1cc(-c2cccc(F)c2C2(C#N)CCN(C(=O)OC(C)(C)C)CC2)ccc1F,ACHJDDYDEWBHHR-UHFFFAOYSA-N
-rxn:4:200661:226844,CC(C)(C)OC(=O)N1CCC(C#N)(c2c(F)cccc2-c2ccnc(C(=O)C(F)(F)F)c2)CC1,JDNQVNBHCIVSQN-UHFFFAOYSA-N
-rxn:4:200662:222552,O=C(NCc1ccccc1)c1ccc(-c2ccccc2CCC(=O)N2CCC(N3C(=O)CSC3=O)CC2)cc1F,KRWQQICDKXNJPK-UHFFFAOYSA-N
-rxn:4:200671:223279,O=C(CCc1ccccc1-c1cnc(C2CCCN2)nc1)N1CCC(N2C(=O)COC2=O)CC1,KGZVSLKKGDLMPA-UHFFFAOYSA-N
-rxn:4:200689:222606,CC(C)N1CCN(CCCc2ccccc2-c2cccc(C(F)(F)F)c2C(=O)NC(C)(C)C)CC1,KFLJMJZYCUZBIX-UHFFFAOYSA-N
-rxn:4:200691:223179,CONC(=O)c1cc(-c2ccc(N(CC(C)C)C3CCCCC3)c([N+](=O)[O-])c2)ccc1F,AVVHTARBFJWBSK-UHFFFAOYSA-N
-rxn:4:200698:226844,COC(=O)c1cc(-c2ccnc(C(=O)C(F)(F)F)c2)ccc1CN1CCN(C(C)C)CC1,ZDVSHUWFDKQTTE-UHFFFAOYSA-N
-rxn:4:200699:224617,COC(=O)c1ccc(-c2ccc(OCCN3CCCC3)c(Cl)c2)c(CN2CCN(C(C)C)CC2)c1,QDVPFMOWOIQKJE-UHFFFAOYSA-N
-rxn:4:200699:226844,COC(=O)c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)c(CN2CCN(C(C)C)CC2)c1,BDPSECYWPPDLAY-UHFFFAOYSA-N
-rxn:4:200713:223280,CC(C)(C)OC(=O)N1CCN(Cc2cccc(-c3cnc(C4CCNC4)nc3)c2F)CC1,IOAMFVZBRKJHEM-UHFFFAOYSA-N
-rxn:4:200715:223179,CONC(=O)c1cc(-c2cc(C(F)F)nc(C3CCCN(C(=O)OC(C)(C)C)C3)c2)ccc1F,GXQJKOLEHFTBBC-UHFFFAOYSA-N
-rxn:4:200715:223279,CC(C)(C)OC(=O)N1CCCC(c2cc(-c3cnc(C4CCCN4)nc3)cc(C(F)F)n2)C1,ZUWDWUVCTQEJAQ-UHFFFAOYSA-N
-rxn:4:200716:223279,CCOC(=O)N1CCN(S(=O)(=O)c2cc(C)c(C)cc2-c2cnc(C3CCCN3)nc2)CC1,ISUJIOJWCBYMEX-UHFFFAOYSA-N
-rxn:4:200719:226844,CCOC(=O)N1CCN(S(=O)(=O)c2cc(-c3ccnc(C(=O)C(F)(F)F)c3)c(C)cc2C)CC1,AANUPUMHJDRLBK-UHFFFAOYSA-N
-rxn:4:200724:223179,CONC(=O)c1cc(-c2ccc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c(Cl)c2)ccc1F,YMJYBYJXPYNAAK-UHFFFAOYSA-N
-rxn:4:200728:226844,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cc(-c3ccnc(C(=O)C(F)(F)F)c3)ccc2F)CC1,OPXOQKLAJJTWOX-UHFFFAOYSA-N
-rxn:4:200729:223279,CC(C)(C)OC(=O)N1CCN(c2ccc(C(F)(F)F)c(-c3cnc(C4CCCN4)nc3)c2)CC1,HWDBTSIWKFQXEO-UHFFFAOYSA-N
-rxn:4:200730:223279,CC(C)(C)OC(=O)N1CCN(c2cccc(-c3cnc(C4CCCN4)nc3)c2C(F)(F)F)CC1,MCOBTJKVDPDFKX-UHFFFAOYSA-N
-rxn:4:200732:223179,CONC(=O)c1cc(-c2ccc(C(F)(F)F)c(N3CCN(C(=O)OC(C)(C)C)CC3)c2)ccc1F,DKDOUSVGHMBHAB-UHFFFAOYSA-N
-rxn:4:200732:223279,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cnc(C4CCCN4)nc3)ccc2C(F)(F)F)CC1,XTGGNRCTBHIXLQ-UHFFFAOYSA-N
-rxn:4:200733:223179,CONC(=O)c1cc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c(C(F)(F)F)c2)ccc1F,PLSXXQRLYVKDIP-UHFFFAOYSA-N
-rxn:4:200733:223279,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(C4CCCN4)nc3)cc2C(F)(F)F)CC1,RRZAHRGEPNPYHK-UHFFFAOYSA-N
-rxn:4:200733:223946,CCN(C(=O)OC(C)(C)C)c1ccc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c(C(F)(F)F)c2)c(Cl)c1,CYWVHCJDFOUUPE-UHFFFAOYSA-N
-rxn:4:200735:223179,CONC(=O)c1cc(-c2ccc(N3CCC(C(F)(F)F)CC3)nc2C(=O)OC(C)(C)C)ccc1F,NYZQUKIUEWWNCR-UHFFFAOYSA-N
-rxn:4:200735:225727,CCOC(=O)c1ccc(OC)c(-c2ccc(N3CCC(C(F)(F)F)CC3)nc2C(=O)OC(C)(C)C)c1,ATIYTFYLEXWBHB-UHFFFAOYSA-N
-rxn:4:200735:226844,CC(C)(C)OC(=O)c1nc(N2CCC(C(F)(F)F)CC2)ccc1-c1ccnc(C(=O)C(F)(F)F)c1,MXDBYWRUDKVKID-UHFFFAOYSA-N
-rxn:4:200736:223179,CONC(=O)c1cc(-c2ccc(C3CCN(C(=O)OC(C)(C)C)CC3)nc2C(F)(F)F)ccc1F,AVYCLVLMHLKLFK-UHFFFAOYSA-N
-rxn:4:200736:223279,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3cnc(C4CCCN4)nc3)c(C(F)(F)F)n2)CC1,WREGVLQBCHAYNX-UHFFFAOYSA-N
-rxn:4:200737:226844,CC(C)(C)OC(=O)N1CCCC(c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)c(C(F)(F)F)n2)C1,DYYPBYGUQRSJLD-UHFFFAOYSA-N
-rxn:4:200740:222540,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cc(-c3cccc(C(=O)NCCN4CCCCC4)c3)c(F)cc2F)CC1,NKEDSHNBIYWVML-UHFFFAOYSA-N
-rxn:4:200740:223179,CONC(=O)c1cc(-c2cc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c(F)cc2F)ccc1F,QXTDPOCMXJEWOU-UHFFFAOYSA-N
-rxn:4:200755:223279,COc1cc(-c2cnc(C3CCCN3)nc2)cc(C2CCCN(C(=O)OC(C)(C)C)C2)n1,ABSYXLQCSHYBGW-UHFFFAOYSA-N
-rxn:4:200756:227710,COC1CCN(C2CN(C(=O)Cc3ccc(-c4ccc(OS(C)(=O)=O)cc4)cc3)C2)CC1,WYANPNYIUAXVQN-UHFFFAOYSA-N
-rxn:4:200758:223179,CONC(=O)c1cc(-c2cc(OC)c(C(=O)N3CCN(C(C)C)CC3)c(OC)c2)ccc1F,IHGXFXCVZMPUFX-UHFFFAOYSA-N
-rxn:4:200758:226844,COc1cc(-c2ccnc(C(=O)C(F)(F)F)c2)cc(OC)c1C(=O)N1CCN(C(C)C)CC1,SVMUTUMHXURSCF-UHFFFAOYSA-N
-rxn:4:200759:223179,CONC(=O)c1cc(-c2ccc(N3CCC(OC)CC3)nc2C(=O)OC(C)(C)C)ccc1F,WBKZEEHZVRWRQI-UHFFFAOYSA-N
-rxn:4:200759:223279,COC1CCN(c2ccc(-c3cnc(C4CCCN4)nc3)c(C(=O)OC(C)(C)C)n2)CC1,RLIZOTOSDBFCSV-UHFFFAOYSA-N
-rxn:4:200759:226844,COC1CCN(c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)c(C(=O)OC(C)(C)C)n2)CC1,WREKLOJMYGGUTB-UHFFFAOYSA-N
-rxn:4:200763:223279,COc1ncc(-c2cnc(C3CCCN3)nc2)cc1C1CCN(C(=O)OC(C)(C)C)CC1,FCXIRDPQVQINEI-UHFFFAOYSA-N
-rxn:4:200768:222707,Cc1ccc(-c2ccnc(CNC(=O)OC(C)(C)C)c2F)cc1C(=O)N1CCCC(COc2ccncc2)C1,JJZBNXSOHNSQSV-UHFFFAOYSA-N
-rxn:4:200775:222817,CCN(CC)c1ccc(N2C(=O)C(=Cc3ccc(-c4cc(S(=O)(=O)NC5CC5)ccc4OC)cc3)SC2=S)cc1,FFTDERGCKNIUHG-UHFFFAOYSA-N
-rxn:4:200799:224999,CC(c1ccc(-c2ccccc2CCC(=O)N2CCC(N3C(=O)COCC3=O)CC2)cc1)N1CCOCC1,NZONPIGXDVCUIO-UHFFFAOYSA-N
-rxn:4:200804:223179,CONC(=O)c1cc(-c2ccc(C3=NC(C)(C)N(C(=O)c4ccc(OC)c(OC)c4)C3=S)cc2)ccc1F,GGXNTUIYJSSVFN-UHFFFAOYSA-N
-rxn:4:200805:223179,CCN1C(=O)C(=Cc2cc(-c3ccc(F)c(C(=O)NOC)c3)c(OC)cc2OC)SC1=Nc1ccccc1,ITDMTONEQBCBGM-UHFFFAOYSA-N
-rxn:4:200805:226844,CCN1C(=O)C(=Cc2cc(-c3ccnc(C(=O)C(F)(F)F)c3)c(OC)cc2OC)SC1=Nc1ccccc1,KQDHCBIOCBGRAK-UHFFFAOYSA-N
-rxn:4:200814:226844,Cc1cc(-c2ccnc(C(=O)C(F)(F)F)c2)ccc1CN1CCN(C(=O)OC(C)(C)C)CC1,VXYNQCUKXHDIHZ-UHFFFAOYSA-N
-rxn:4:200817:223179,CONC(=O)c1cc(-c2ccccc2C(C)N2CCN(C(=O)OC(C)(C)C)CC2)ccc1F,IFSIYSYYQGSDSJ-UHFFFAOYSA-N
-rxn:4:200817:226844,CC(c1ccccc1-c1ccnc(C(=O)C(F)(F)F)c1)N1CCN(C(=O)OC(C)(C)C)CC1,HRXXHAKPNBDHAY-UHFFFAOYSA-N
-rxn:4:200818:223179,CONC(=O)c1cc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)[C@@H](C)C3)cc2Cl)ccc1F,VRHJVPUZEBPHDB-INIZCTEOSA-N
-rxn:4:200818:226844,C[C@H]1CN(Cc2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)c(Cl)c2)CCN1C(=O)OC(C)(C)C,VQIZFGDDJCDSQY-HNNXBMFYSA-N
-rxn:4:200819:224689,CC1CN(Cc2cc(F)cc(-c3ccc(C(=O)N4CCCCC4)cc3Cl)c2)CCN1C(=O)OC(C)(C)C,NDKSSLUMUZUTGD-UHFFFAOYSA-N
-rxn:4:200821:222879,CC(C)(C)OC(=O)N1CCCN(S(=O)(=O)c2ccc(-c3c(Cl)cccc3NC(=O)C(C)(C)C)cc2)CC1,UWSUOPRKQHKCJI-UHFFFAOYSA-N
-rxn:4:200822:223279,CC(C)(C)OC(=O)N1CCCN(S(=O)(=O)c2cccc(-c3cnc(C4CCCN4)nc3)c2)CC1,HINQTVAFQIPFJU-UHFFFAOYSA-N
-rxn:4:200822:223697,CC(C)(C)OC(=O)N1CCCN(S(=O)(=O)c2cccc(-c3ccc(S(=O)(=O)N4CCCCC4)cc3C(F)(F)F)c2)CC1,FHHWFQLACIKMJN-UHFFFAOYSA-N
-rxn:4:200823:223279,Cc1cc(-c2cnc(C3CCCN3)nc2)ccc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,HHGTZAQQPJJQBI-UHFFFAOYSA-N
-rxn:4:200824:223179,CONC(=O)c1cc(-c2ccc(C)c(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)ccc1F,LDFJPHRMMITDEC-UHFFFAOYSA-N
-rxn:4:200824:223279,Cc1ccc(-c2cnc(C3CCCN3)nc2)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,MFBHEEIWYGFFTK-UHFFFAOYSA-N
-rxn:4:200835:223179,CONC(=O)c1cc(-c2ccc(OCc3ccc(Cl)cc3)c(C=C3SC(N4CCOCC4)=NC3=O)c2)ccc1F,WNKODTJEVXUEHR-UHFFFAOYSA-N
-rxn:4:200836:226844,CC(C)Oc1cccc(-c2ccnc(C(=O)C(F)(F)F)c2)c1CN1CCN(C(C)C)CC1,XMVWRAMUTHMTNQ-UHFFFAOYSA-N
-rxn:4:200838:223179,CONC(=O)c1cc(-c2ccccc2CCC(=O)N2CCCN(C3CCOC3)CC2)ccc1F,SEZCSGKGOZRZRY-UHFFFAOYSA-N
-rxn:4:200838:223279,O=C(CCc1ccccc1-c1cnc(C2CCCN2)nc1)N1CCCN(C2CCOC2)CC1,ACLCXCRSIBVCEU-UHFFFAOYSA-N
-rxn:4:200839:223179,CONC(=O)c1cc(-c2cccc(N3CCN(C(=O)OC(C)(C)C)C(C)C3)c2OC)ccc1F,YZITVRXJRTYBIS-UHFFFAOYSA-N
-rxn:4:200839:223279,COc1c(-c2cnc(C3CCCN3)nc2)cccc1N1CCN(C(=O)OC(C)(C)C)C(C)C1,ILVHMHWWFVNOAT-UHFFFAOYSA-N
-rxn:4:200840:223179,CONC(=O)c1cc(-c2ccc(CN3CCCC(C(=O)OC)C3)c(N3CCCC3)c2)ccc1F,LJFXHLKHNDFBDE-UHFFFAOYSA-N
-rxn:4:200841:223179,CONC(=O)c1cc(-c2ccc(CN3CCC(C(=O)OC)CC3)c(N3CCCC3)c2)ccc1F,CUXLHPCNNDVRJF-UHFFFAOYSA-N
-rxn:4:200842:223179,CONC(=O)c1cc(-c2ccc(C3CC3)c(N3CCN(C(=O)OC(C)(C)C)CC3)c2)ccc1F,RSVHTFLCVBYOPF-UHFFFAOYSA-N
-rxn:4:200842:226844,CC(C)(C)OC(=O)N1CCN(c2cc(-c3ccnc(C(=O)C(F)(F)F)c3)ccc2C2CC2)CC1,GSJSOHNPDXDBKW-UHFFFAOYSA-N
-rxn:4:200843:223179,CONC(=O)c1cc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2C2CC2)ccc1F,KXHCMVYTRZMBSE-UHFFFAOYSA-N
-rxn:4:200846:223279,CC(C)(C)OC(=O)N1CCN(c2cc(C3CC3)ccc2-c2cnc(C3CCCN3)nc2)CC1,BTAGTLYZCCWJAF-UHFFFAOYSA-N
-rxn:4:200854:223179,CONC(=O)c1cc(-c2ccc(CN3CCCC(C(=O)OC)C3)c(N3CCOCC3)c2)ccc1F,FZMYBDAXOBORAF-UHFFFAOYSA-N
-rxn:4:200854:226844,COC(=O)C1CCCN(Cc2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2N2CCOCC2)C1,YHTXDKMVEBBEIB-UHFFFAOYSA-N
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-rxn:4:201099:223279,CC1=C(C(=O)OCC(C)C)C(c2cccc(-c3cnc(C4CCCN4)nc3)c2)N2C(=O)C(C)SC2=N1,YYXAXJYWDMKWJK-UHFFFAOYSA-N
-rxn:4:201100:223179,CCC1SC2=NC(C)=C(C(=O)OC(C)C)C(c3cccc(-c4ccc(F)c(C(=O)NOC)c4)c3)N2C1=O,HGDXVQAVQLCPDD-UHFFFAOYSA-N
-rxn:4:201102:223167,CC1=C(C(=O)OCC(C)C)C(c2ccccc2-c2ccnc(N3CCNCC3)c2)N2C(=O)CCSC2=N1,ASKWGVJVDUPREN-UHFFFAOYSA-N
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-rxn:4:201102:227376,CC1=C(C(=O)OCC(C)C)C(c2ccccc2-c2cncc(N3CCCC3)c2)N2C(=O)CCSC2=N1,LVBOLSIZRUSRPQ-UHFFFAOYSA-N
-rxn:4:201108:222921,Cc1cc(S(=O)(=O)NC(C)C)ccc1-c1ccccc1CCC(=O)N1CC(N2CC3CCCC3C2)C1,AXZQSBMPPNFINJ-UHFFFAOYSA-N
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-rxn:4:201113:223279,COc1ccc(-c2cnc(C3CCCN3)nc2)cc1C1C(C(=O)OC(C)C)=C(C)N=C2SCCC(=O)N21,NXDFBMAMXWODDD-UHFFFAOYSA-N
-rxn:4:201120:225869,COC(=O)C1=C(C)N=C2SC(Cc3ccc(-c4ccc(N5CCOCC5)c(Cl)c4)cc3)C(=O)N2C1c1ccccc1,OIDNYCCNYYZJKD-UHFFFAOYSA-N
-rxn:4:201123:223179,CCCCN1C(=O)C(=C2SC(=S)N(Cc3ccc(F)cc3)C2=O)c2cc(-c3ccc(F)c(C(=O)NOC)c3)ccc21,JSLHOGHTPSNUDY-UHFFFAOYSA-N
-rxn:4:201123:226844,CCCCN1C(=O)C(=C2SC(=S)N(Cc3ccc(F)cc3)C2=O)c2cc(-c3ccnc(C(=O)C(F)(F)F)c3)ccc21,NMYJBJZMPPNMDG-UHFFFAOYSA-N
-rxn:4:201132:226844,COc1ccc2cc(-c3ccnc(C(=O)C(F)(F)F)c3)ccc2c1CC(=O)N(C)C1CCN(C)CC1,ZVARTXNZWAUOQP-UHFFFAOYSA-N
-rxn:4:201137:224487,COc1ccc(C2c3cccn3CCN2S(=O)(=O)c2ccc(-c3cccc(OCCN4CCCCC4)c3)cc2)cc1OC,APSRWAOOZPDDAH-UHFFFAOYSA-N
-rxn:4:201140:224377,COc1cc(OC)cc(N2C(=O)N(Cc3ccc(-c4ccc(S(=O)(=O)N5CCN(C)CC5)cc4)cc3)c3ccccc3S2(=O)=O)c1,ZLZQZYOTOBHIHX-UHFFFAOYSA-N
-rxn:4:201146:223179,CCCCN1C(=O)C(=C2SC(=S)N(C(C)c3ccccc3)C2=O)c2cc(-c3ccc(F)c(C(=O)NOC)c3)ccc21,GAFVICTVXWUVEH-UHFFFAOYSA-N
-rxn:4:201150:226844,CC(C)(C)OC(=O)N1CCC(CN2CCc3cc(-c4ccnc(C(=O)C(F)(F)F)c4)ccc3C2)CC1,DIPZOLCCHFIOOO-UHFFFAOYSA-N
-rxn:4:201151:223179,CONC(=O)c1cc(-c2ccc3c(c2)CCN(CC2CCCN(C(=O)OC(C)(C)C)C2)C3)ccc1F,LAXPPAKGBPLMRA-UHFFFAOYSA-N
-rxn:4:201184:223179,CONC(=O)c1cc(-c2ccc3oc4c(c(=O)c3c2)C(c2ccccc2)N(CCCN2CCOCC2)C4=O)ccc1F,XELVEPOFTIAJFH-UHFFFAOYSA-N
-rxn:4:201189:223179,CONC(=O)c1cc(-c2ccc(C3c4c(oc5cc(OC)ccc5c4=O)C(=O)N3CCN3CCOCC3)cc2)ccc1F,KIZKWOSVQLTXLK-UHFFFAOYSA-N
-rxn:4:201189:226844,COc1ccc2c(=O)c3c(oc2c1)C(=O)N(CCN1CCOCC1)C3c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1,YLKBAANXNFKJOO-UHFFFAOYSA-N
-rxn:4:201192:226844,CC(C)Oc1ccc(C2=NN3C(C2)c2cc(-c4ccnc(C(=O)C(F)(F)F)c4)ccc2OC3c2ccc(C(C)C)cc2)cc1,TWYLDEVQGXEIMY-UHFFFAOYSA-N
-rxn:4:201378:223179,CONC(=O)c1cc(-c2c(C(F)(F)C(F)(F)C(F)(F)F)nn(C(C)=O)c2C)ccc1F,XQIMZKRBPKJWMF-UHFFFAOYSA-N
-rxn:4:201379:223179,CONC(=O)c1cc(-c2c(C)nn(C(C)=O)c2C(F)(F)C(F)(F)C(F)(F)F)ccc1F,PXRLKWGHMMKPLM-UHFFFAOYSA-N
-rxn:4:201388:223521,CC(c1cccc(-c2cn(CC(=O)OC(C)(C)C)cn2)c1)N1CCN(C(=O)OC(C)(C)C)CC1,UAFSQUGMNCIBIU-UHFFFAOYSA-N
-rxn:4:201559:223635,COC(=O)c1c(-c2ccc(C3CCN(C(=O)OC(C)(C)C)CC3)cc2)c(CC(C)C)nn1C,MOTQYGAXZLDJKN-UHFFFAOYSA-N
-rxn:4:201563:222543,CCOC(=O)c1cn(C(C)(C)C)nc1-c1ccc(C2(NC(=O)OC(C)(C)C)CC2)cc1,JJGFDPPIBCSQND-UHFFFAOYSA-N
-rxn:4:201644:222638,CC(NC(=O)OC(C)(C)C)c1cccc(-c2cc(C3CN(C(=O)OC(C)(C)C)C3)on2)c1,NYGZXLQSIAHIKA-UHFFFAOYSA-N
-rxn:4:201683:223885,CC(C)c1nc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3)cn1C(=O)OC(C)(C)C,OBGTYYBMRAZMOK-UHFFFAOYSA-N
-rxn:4:201759:225197,O=C(Cc1cncc(-c2cc(F)c(OC3CCCC3)c(Cl)c2)c1)N1CCC(C(F)(F)F)CC1,PQAXAMPKQZJWFS-UHFFFAOYSA-N
-rxn:4:201775:223527,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)ccc2-c2nc(C3CCN(C(=O)OC(C)(C)C)C3)cs2)CC1,SZBGTNGMIBZLNW-UHFFFAOYSA-N
-rxn:4:201812:224423,CCC[C@H]1CC[C@H](c2ccc(-c3cnc(C(=O)OCC)c(N4CCC(F)(F)CC4)c3)cc2)CC1,XJVGDCQEWSLNNK-MEMLXQNLSA-N
-rxn:4:201832:224322,CC1CCN(S(=O)(=O)c2ccc(-c3ccc(OCCN4CCN(C)CC4)c(Cl)c3)cc2)CC1,HPIWQNNDBSKWID-UHFFFAOYSA-N
-rxn:4:201861:223279,COc1cc(N2CCCC(C(F)(F)F)C2)c(-c2cnc(C3CCCN3)nc2)cc1[N+](=O)[O-],WCKFBZHQJDZLGF-UHFFFAOYSA-N
-rxn:4:201895:225270,CCCOc1ccc(-c2cc(CC(=O)N3CCN(CC)CC3)ccc2Cl)cc1C(F)(F)F,XRHVVJXVRHEVID-UHFFFAOYSA-N
-rxn:4:201906:223279,COc1ccc(-c2cnc(C3CCCN3)nc2)c(C(=O)N2CC(N3C(=O)CCC3=O)C2)c1,HUGJNHVJRRSUIH-UHFFFAOYSA-N
-rxn:4:201946:224256,CC1CCCCN1C(=O)c1cc(-c2ccc(C3CCCN3C(=O)OC(C)(C)C)nc2)ccc1Cl,ZREOVBILIAYRHG-UHFFFAOYSA-N
-rxn:4:201949:223693,COC(=O)c1ccc(-c2cc(O[Si](C)(C)C(C)(C)C)cc(C(F)(F)F)c2F)cc1CN1CCN(C)CC1,BTWZTXCLORPVDF-UHFFFAOYSA-N
-rxn:4:201950:223603,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3cc(OCc4cccnc4)c(OC(F)(F)F)cc3Cl)cn2)C1,HYONNETZQNRXMZ-UHFFFAOYSA-N
-rxn:4:201969:223279,COc1ccc(-c2cnc(C3CCCN3)nc2)c(C(=O)N2CCC(N3C(=O)CSC3=O)C2)c1,IXMZFOHZJDXMMT-UHFFFAOYSA-N
-rxn:4:201969:224707,COC(=O)c1cc(Cl)cc2cc(-c3ccc(OC)cc3C(=O)N3CCC(N4C(=O)CSC4=O)C3)cnc12,OBLHCCHFZNNZCH-UHFFFAOYSA-N
-rxn:4:201979:223179,CONC(=O)c1cc(-c2ccc(OC)cc2C(=O)N2CCC(N3C(=O)COC3=O)C2)ccc1F,VUFHHCOEVBIDKK-UHFFFAOYSA-N
-rxn:4:201979:223279,COc1ccc(-c2cnc(C3CCCN3)nc2)c(C(=O)N2CCC(N3C(=O)COC3=O)C2)c1,MGXXTZMYGHKBEA-UHFFFAOYSA-N
-rxn:4:201979:226892,COc1ccc(-c2cc(F)cc(C(F)(F)F)c2Cl)c(C(=O)N2CCC(N3C(=O)COC3=O)C2)c1,RABOKYBUFWOFFH-UHFFFAOYSA-N
-rxn:4:201996:225977,CC(C)(C)OC(=O)N1CCOC(c2ccnc(-c3cc(Cl)cnc3N3CCOCC3)c2)C1,LFBFPISFNDHSAG-UHFFFAOYSA-N
-rxn:4:202015:225898,CC(C)(C)OC(=O)c1cc(-c2cnn(CCN3CCOCC3)c2)cnc1N1CCOCC1,ZFNGYEDPDKMGNE-UHFFFAOYSA-N
-rxn:4:202019:224904,COc1ccc(-c2ccc(C(=O)C3CCCCC3)cc2)c(OC)c1C(=O)N1CCN(C)CC1,QGZRDJSHQZFQLK-UHFFFAOYSA-N
-rxn:4:202037:223493,Cc1ccc(OC2CCN(C(=O)c3ccccc3-c3cc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)ccc3C)C2)nc1,HHOZSAAQEPQIQY-UHFFFAOYSA-N
-rxn:4:202069:223179,CONC(=O)c1cc(-c2cncc(C(=O)N3CCC(S(=O)(=O)C(C)(C)C)C3)c2)ccc1F,XHPMPOMNRITAKA-UHFFFAOYSA-N
-rxn:4:202070:223179,CONC(=O)c1cc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3=O)cc2)ccc1F,XLRZSGGLOCRCDL-UHFFFAOYSA-N
-rxn:4:202075:223191,CNS(=O)(=O)c1ccc(-c2ccc(C3(C)CCN(C(=O)OC(C)(C)C)C3=O)nc2)cc1F,HBQRNDWFZNSMHX-UHFFFAOYSA-N
-rxn:4:202095:226491,COCCOc1cc(Cl)cc(-c2sc(C3CCN(C(=O)OC(C)(C)C)CC3)nc2C)c1,OMTQLYOBRZLHJF-UHFFFAOYSA-N
-rxn:4:202113:223079,CC(C)NS(=O)(=O)c1cccc(-c2cccc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)c1,JHRDJOFYTMQJPK-UHFFFAOYSA-N
-rxn:4:202141:226844,CC(C)N1CCN(Cc2cc(C(F)(F)F)ccc2-c2ccnc(C(=O)C(F)(F)F)c2)CC1,ZHXHBCRHKXNAFQ-UHFFFAOYSA-N
-rxn:4:202142:223279,CC(C)(C)OC(=O)c1cc(-c2cnc(C3CCCN3)nc2)nc(N2CCC(F)(F)CC2)c1,RLZQHVRAZTTWLE-UHFFFAOYSA-N
-rxn:4:202143:223179,CONC(=O)c1cc(-c2cc(S(=O)(=O)N3CCN(C(C)=O)CC3)c(OC)cc2C)ccc1F,SYVQJCBLDGWSSB-UHFFFAOYSA-N
-rxn:4:202146:226844,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)c(F)c2F)CC1,CXDSRZCKKLNZLK-UHFFFAOYSA-N
-rxn:4:202147:223179,CONC(=O)c1cc(-c2ccc(N3CCC(F)(F)CC3)nc2C(=O)OC(C)(C)C)ccc1F,NUYHDJCKWUJSMJ-UHFFFAOYSA-N
-rxn:4:202147:223279,CC(C)(C)OC(=O)c1nc(N2CCC(F)(F)CC2)ccc1-c1cnc(C2CCCN2)nc1,FOLNTLAWYFVONI-UHFFFAOYSA-N
-rxn:4:202147:226844,CC(C)(C)OC(=O)c1nc(N2CCC(F)(F)CC2)ccc1-c1ccnc(C(=O)C(F)(F)F)c1,IZXGZVLVEAGBIX-UHFFFAOYSA-N
-rxn:4:202163:223179,CONC(=O)c1cc(-c2cnc(C3=CCN(C(=O)OC(C)(C)C)CC3)cc2C)ccc1F,UFSFJHQBPQOSEA-UHFFFAOYSA-N
-rxn:4:202164:223179,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(F)c(C(=O)NOC)c3)c(C)cc2OC)CC1,INQUKXQTEHTDCY-UHFFFAOYSA-N
-rxn:4:202169:226250,CCCCOc1ccc(Cl)c(-c2cccc(CN3CCOC(C(=O)N4CCCC4)C3)c2)c1,SZXALNGVUDTZDZ-UHFFFAOYSA-N
-rxn:4:202170:226844,O=C(C1CN(Cc2ccccc2-c2ccnc(C(=O)C(F)(F)F)c2)CCO1)N1CCCC1,VBLRRUZAUVFVCE-UHFFFAOYSA-N
-rxn:4:202195:223179,CONC(=O)c1cc(-c2cccnc2OC2CCN(C(=O)C3CC=CCC3)CC2)ccc1F,HZPUMLHFWOJHLB-UHFFFAOYSA-N
-rxn:4:202196:223179,CONC(=O)c1cc(-c2cnccc2OC2CCN(CC3CCS(=O)(=O)CC3)C2)ccc1F,DAYGKAJJMVLZRF-UHFFFAOYSA-N
-rxn:4:202200:223279,O=C(C1CN(Cc2ccc(-c3cnc(C4CCCN4)nc3)cc2)CCO1)N1CCOCC1,ORTZYEXGYHANON-UHFFFAOYSA-N
-rxn:4:202200:224634,COc1ccc(-c2ccc(CN3CCOC(C(=O)N4CCOCC4)C3)cc2)cc1CN1CCOCC1,FRKLQMIYLDYHOX-UHFFFAOYSA-N
-rxn:4:202202:223279,O=C(C1CN(Cc2ccccc2-c2cnc(C3CCCN3)nc2)CCO1)N1CCOCC1,DUOSZPPPIQJXQC-UHFFFAOYSA-N
-rxn:4:202204:223279,O=C(C1CC(=O)N(c2cccc(-c3cnc(C4CCCN4)nc3)c2)C1)N1CCC(CF)CC1,KTPQGXQTTXWKGR-UHFFFAOYSA-N
-rxn:4:202204:226245,CCCCOc1ccc(-c2cccc(N3CC(C(=O)N4CCC(CF)CC4)CC3=O)c2)cc1F,NGCCXYAATXOURY-UHFFFAOYSA-N
-rxn:4:202222:226844,CC1CN(C(=O)OC(C)(C)C)CCC1c1ccnc(-c2ccnc(C(=O)C(F)(F)F)c2)c1,JIWRODSNOXCYFH-UHFFFAOYSA-N
-rxn:4:202223:226844,CC1CN(C(=O)OC(C)(C)C)CCC1c1cc(-c2ccnc(C(=O)C(F)(F)F)c2)ccn1,LIPKOUWQAZAARW-UHFFFAOYSA-N
-rxn:4:202226:226844,Cc1cc(C2CCCN(C(=O)OC(C)(C)C)C2)cc(-c2ccnc(C(=O)C(F)(F)F)c2)n1,SZWVZZOWXOKHBS-UHFFFAOYSA-N
-rxn:4:202227:223696,Cc1cc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc2)cc(C2CCCN(C(=O)OC(C)(C)C)C2)n1,NKCOWCIRUVXBIG-UHFFFAOYSA-N
-rxn:4:202230:226844,Cc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)c(-c2ccnc(C(=O)C(F)(F)F)c2)c1,YYWLIAYDGQYYFV-UHFFFAOYSA-N
-rxn:4:202231:223179,CONC(=O)c1cc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c(C)c2)ccc1F,XEWWRCHZCKKMTL-UHFFFAOYSA-N
-rxn:4:202232:223179,CONC(=O)c1cc(-c2ccc(N3CCC(C)CC3)nc2C(=O)OC(C)(C)C)ccc1F,NPXBHCOMZMNTIP-UHFFFAOYSA-N
-rxn:4:202232:226844,CC1CCN(c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)c(C(=O)OC(C)(C)C)n2)CC1,UANQWJANQZGSRQ-UHFFFAOYSA-N
-rxn:4:202233:223179,CONC(=O)c1cc(-c2ccc(N3CCCC(C)C3)nc2C(=O)OC(C)(C)C)ccc1F,GFFOHEKUVCAERX-UHFFFAOYSA-N
-rxn:4:202233:226844,CC1CCCN(c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)c(C(=O)OC(C)(C)C)n2)C1,YZPBMSTVVHVICP-UHFFFAOYSA-N
-rxn:4:202234:226844,Cc1c(-c2ccnc(C(=O)C(F)(F)F)c2)cccc1N1CCN(C(=O)OC(C)(C)C)CC1,VIABZQCTEIDYPU-UHFFFAOYSA-N
-rxn:4:202235:223179,CONC(=O)c1cc(-c2cc(C)cc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)ccc1F,BADSRJVNMOFUMM-UHFFFAOYSA-N
-rxn:4:202235:226844,Cc1cc(-c2ccnc(C(=O)C(F)(F)F)c2)cc(N2CCN(C(=O)OC(C)(C)C)CC2)c1,NLVZGBLCNOXYGX-UHFFFAOYSA-N
-rxn:4:202237:223179,CONC(=O)c1cc(-c2ccc(C3CCN(C(=O)OC(C)(C)C)CC3C)nc2)ccc1F,DUPVHCUVXCVSGI-UHFFFAOYSA-N
-rxn:4:202253:224619,CCC1(C)N=C(c2ccc(-c3ccc(OCCN4CCCC4)c(F)c3)cc2)C(=S)N1C(=O)c1ccc(C)cc1,VVDQLDDLMAWVDZ-UHFFFAOYSA-N
-rxn:4:202264:223279,O=C(c1cccc(-c2cnc(C3CCCN3)nc2)c1)N1CCCSCC1CN1CCCC1,PNJZZGNTDLFPAB-UHFFFAOYSA-N
-rxn:4:202267:223179,CONC(=O)c1cc(-c2cccc(CN3CCOC(C(=O)N4CCCCC4)C3)c2)ccc1F,FUWSDAGOJROBPH-UHFFFAOYSA-N
-rxn:4:202268:226844,O=C(C1CN(Cc2ccccc2-c2ccnc(C(=O)C(F)(F)F)c2)CCO1)N1CCCCC1,WTQDWELDLCWCOG-UHFFFAOYSA-N
-rxn:4:202269:223179,CONC(=O)c1cc(-c2ccccc2CN2CCCC(C(=O)N3CCSCC3)C2)ccc1F,CGJYZKQKWAKOHM-UHFFFAOYSA-N
-rxn:4:202272:223279,O=C(C1CCCN(Cc2ccc(-c3cnc(C4CCCN4)nc3)cc2)C1)N1CCSCC1,XWEZPMRGSOOSNT-UHFFFAOYSA-N
-rxn:4:202273:223279,O=C(C1CCCN(Cc2cccc(-c3cnc(C4CCCN4)nc3)c2)C1)N1CCSCC1,OWPPIGSSYKEMCW-UHFFFAOYSA-N
-rxn:4:202276:223179,CONC(=O)c1cc(-c2ccc(CN3CCCC(C(F)(F)F)C3)c(N3CCCC3)c2)ccc1F,FTYZGHFGDPASOU-UHFFFAOYSA-N
-rxn:4:202277:223179,CONC(=O)c1cc(-c2ccc(CN3CCC(C(F)(F)F)CC3)c(N3CCCC3)c2)ccc1F,OELGFHQLSVJIPN-UHFFFAOYSA-N
-rxn:4:202277:223279,FC(F)(F)C1CCN(Cc2ccc(-c3cnc(C4CCCN4)nc3)cc2N2CCCC2)CC1,NKUHELXRNAAYIT-UHFFFAOYSA-N
-rxn:4:202285:226844,COC1CCN(Cc2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2N2CCCC2)CC1,KSKZCYZCGASNQP-UHFFFAOYSA-N
-rxn:4:202286:223279,CC(=O)N1CCN(S(=O)(=O)c2cc(C)c(-c3cnc(C4CCCN4)nc3)cc2C(C)C)CC1,HCVNLIXZMZDJJA-UHFFFAOYSA-N
-rxn:4:202287:223179,CONC(=O)c1cc(-c2ccccc2C(=O)N2CCCSCC2CN2CCOCC2)ccc1F,VVEJSNJPPNHNNF-UHFFFAOYSA-N
-rxn:4:202289:223179,CONC(=O)c1cc(-c2ccc(OC)cc2C(=O)N2CCCN(C3CCSC3)CC2)ccc1F,VZWCCVGWXFEIHT-UHFFFAOYSA-N
-rxn:4:202290:222421,COC1CCN(C2CCN(S(=O)(=O)c3ccc(-c4cncc(S(N)(=O)=O)c4)cc3)CC2)C1,AYSCHMDNJVPTQT-UHFFFAOYSA-N
-rxn:4:202290:226255,CCCCOc1ccc(Cl)cc1-c1ccc(S(=O)(=O)N2CCC(N3CCC(OC)C3)CC2)cc1,FFWHLJQFPBHVKD-UHFFFAOYSA-N
-rxn:4:202291:223179,CONC(=O)c1cc(-c2ccc(CN3CCCC(C(F)(F)F)C3)c(N3CCOCC3)c2)ccc1F,JUOSONMWICCVKV-UHFFFAOYSA-N
-rxn:4:202292:223279,FC(F)(F)C1CCN(Cc2ccc(-c3cnc(C4CCCN4)nc3)cc2N2CCOCC2)CC1,KIWMNAOAPALETF-UHFFFAOYSA-N
-rxn:4:202292:226844,O=C(c1cc(-c2ccc(CN3CCC(C(F)(F)F)CC3)c(N3CCOCC3)c2)ccn1)C(F)(F)F,IIDHMHQNTJIXSE-UHFFFAOYSA-N
-rxn:4:202307:223279,CCN1CCN(S(=O)(=O)c2cc(C)c(-c3cnc(C4CCCN4)nc3)cc2C(C)C)CC1,SNCYMROOPVONCM-UHFFFAOYSA-N
-rxn:4:202308:223179,CONC(=O)c1cc(-c2cccc(N3CCN(C(=O)OC(C)(C)C)C(C)C3)c2C)ccc1F,XNKYIQJBSNBGJG-UHFFFAOYSA-N
-rxn:4:202308:223182,CCNS(=O)(=O)c1ccc(-c2cccc(N3CCN(C(=O)OC(C)(C)C)C(C)C3)c2C)cc1,GADWKSVIDPHNJW-UHFFFAOYSA-N
-rxn:4:202308:226844,Cc1c(-c2ccnc(C(=O)C(F)(F)F)c2)cccc1N1CCN(C(=O)OC(C)(C)C)C(C)C1,BZLXOFXCLUNYIB-UHFFFAOYSA-N
-rxn:4:202309:223179,CONC(=O)c1cc(-c2ccc(CN(C)C3CCOCC3)c(N3CCOCC3)c2)ccc1F,SSADWRDPNCILQO-UHFFFAOYSA-N
-rxn:4:202309:226844,CN(Cc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1N1CCOCC1)C1CCOCC1,PKOFRUOUWKFAFY-UHFFFAOYSA-N
-rxn:4:202310:226844,O=C(c1cc(-c2ccc(S(=O)(=O)N3CCCSCC3CN3CCOCC3)cc2)ccn1)C(F)(F)F,KZZPKHYNBRDFSR-UHFFFAOYSA-N
-rxn:4:202310:227283,N#Cc1cc(-c2ccc(S(=O)(=O)N3CCCSCC3CN3CCOCC3)cc2)cc(C2CC2)n1,ZPASLJOMISNGEW-UHFFFAOYSA-N
-rxn:4:202311:226844,O=C(C1CCN(Cc2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2)CC1)N1CCC(F)(F)CC1,LOYWQKPYMCWPCU-UHFFFAOYSA-N
-rxn:4:202312:223279,O=C(C1CCN(Cc2cccc(-c3cnc(C4CCCN4)nc3)c2)CC1)N1CCC(F)(F)CC1,HNCRFYIXUOVKQL-UHFFFAOYSA-N
-rxn:4:202313:223179,CONC(=O)c1cc(-c2ccccc2CN2CCC(C(=O)N3CCC(F)(F)CC3)CC2)ccc1F,KVYGJPQMSGXCCZ-UHFFFAOYSA-N
-rxn:4:202322:223179,CONC(=O)c1cc(-c2ccc(CN3CCC(C(F)(F)F)CC3)c(N3CCCCC3)c2)ccc1F,GJWFEWBHGXPJTM-UHFFFAOYSA-N
-rxn:4:202322:223279,FC(F)(F)C1CCN(Cc2ccc(-c3cnc(C4CCCN4)nc3)cc2N2CCCCC2)CC1,PCCCYPHFSOMGAB-UHFFFAOYSA-N
-rxn:4:202327:223179,CONC(=O)c1cc(-c2ccc(CN(C)C3CCCCC3)c(N3CCOCC3)c2)ccc1F,DCMDHBNRFGCSEP-UHFFFAOYSA-N
-rxn:4:202327:226844,CN(Cc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1N1CCOCC1)C1CCCCC1,HVHSSDJRFWFBRX-UHFFFAOYSA-N
-rxn:4:202328:223279,COC1CCN(C2CCN(S(=O)(=O)c3ccccc3-c3cnc(C4CCCN4)nc3)CC2)CC1,KARJVVWBWGEJNR-UHFFFAOYSA-N
-rxn:4:202328:228518,CC#Cc1ccc(-c2ccccc2S(=O)(=O)N2CCC(N3CCC(OC)CC3)CC2)cc1,ARJYCHDKZNILGI-UHFFFAOYSA-N
-rxn:4:202328:228529,COC1CCN(C2CCN(S(=O)(=O)c3ccccc3-c3ccc4c(c3)CCO4)CC2)CC1,IHUJOYLHDQMEQB-UHFFFAOYSA-N
-rxn:4:202341:226844,CC(C)N1CCN(Cc2cc(-c3ccnc(C(=O)C(F)(F)F)c3)cc(C(C)(C)C)c2)CC1,LSVJXIRRFDMHMY-UHFFFAOYSA-N
-rxn:4:202348:223279,Cc1ccc(S(=O)(=O)N2CCOC23CCN(C(=O)c2ccccc2-c2cnc(C4CCCN4)nc2)CC3)cc1,BIFMWBSAWWQEOQ-UHFFFAOYSA-N
-rxn:4:202352:223279,Cc1cc(S(=O)(=O)N2CCOC23CCN(C(=O)c2ccccc2-c2cnc(C4CCCN4)nc2)CC3)ccc1F,GQNMVZQCVBYROE-UHFFFAOYSA-N
-rxn:4:202356:223279,Cc1cc(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)c(C(C)C)cc1-c1cnc(C2CCCN2)nc1,AMJNUHNPNFBFGH-UHFFFAOYSA-N
-rxn:4:202470:223898,COc1cc2c(cnn2C(=O)OC(C)(C)C)cc1-c1ccc(N(C(=O)OC(C)(C)C)C(C)C)cc1,TWCPCSRZAXHXAU-UHFFFAOYSA-N
-rxn:4:202518:222905,CC(C)[C@H]1c2nc(-c3cccnc3NC(=O)OC(C)(C)C)sc2CN1C(=O)OC(C)(C)C,MPFSIJYMKLVWLM-KRWDZBQOSA-N
-rxn:4:202526:223179,COCC(=O)N=C1SC2CS(=O)(=O)CC2N1c1ccc(-c2ccc(F)c(C(=O)NOC)c2)cc1,IDGKHOLGVFAMQD-UHFFFAOYSA-N
-rxn:4:202526:223279,COCC(=O)N=C1SC2CS(=O)(=O)CC2N1c1ccc(-c2cnc(C3CCCN3)nc2)cc1,PYZALRXUAWEGFF-UHFFFAOYSA-N
-rxn:4:202527:226844,COCC(=O)N=C1SC2CS(=O)(=O)CC2N1c1cccc(-c2ccnc(C(=O)C(F)(F)F)c2)c1,VPUIDWHYEMZEJB-UHFFFAOYSA-N
-rxn:4:202540:222821,CCOC(=O)c1cnc2c(-c3ccc(F)c(S(=O)(=O)NC(C)(C)C)c3)cccc2c1N1CCOCC1,YYFRIQURBNIXNF-UHFFFAOYSA-N
-rxn:4:202559:223179,CONC(=O)c1cc(-c2cc(C#N)c3c(c2)C(C)(C)CN3C(=O)OC(C)(C)C)ccc1F,FDRSEEFFUQIJEI-UHFFFAOYSA-N
-rxn:4:202559:223181,CCNS(=O)(=O)c1cccc(-c2cc(C#N)c3c(c2)C(C)(C)CN3C(=O)OC(C)(C)C)c1,IYCIIRBMYGAWLC-UHFFFAOYSA-N
-rxn:4:202567:223279,CCCC(=O)N=C1SC2CS(=O)(=O)CC2N1c1ccc(-c2cnc(C3CCCN3)nc2)cc1,ATCKPXRBNUFUIK-UHFFFAOYSA-N
-rxn:4:202567:226844,CCCC(=O)N=C1SC2CS(=O)(=O)CC2N1c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1,SHVBNBXDRYWOGN-UHFFFAOYSA-N
-rxn:4:202569:223279,CCCC(=O)N=C1SC2CS(=O)(=O)CC2N1c1ccc(-c2cnc(C3CCCN3)nc2)cc1F,RQDZSFVQUWLFQA-UHFFFAOYSA-N
-rxn:4:202583:223499,CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(-c3ccc(CSc4nc5c(c(=O)n4-c4ccc(F)cc4)SCC5)cc3)ccc2Cl)CC1,BYXHIVHIHYHFIY-UHFFFAOYSA-N
-rxn:4:202596:223179,CCCN1C(=O)C(=C2C(=O)N(CCC)c3ccc(-c4ccc(F)c(C(=O)NOC)c4)cc32)SC1=S,CUNMUDAEMIUQLQ-UHFFFAOYSA-N
-rxn:4:202597:223179,CCCCCN1C(=O)C(=C2SC(=S)N(C)C2=O)c2cc(-c3ccc(F)c(C(=O)NOC)c3)ccc21,TZYHBFVFGZKTPK-UHFFFAOYSA-N
-rxn:4:202598:223279,CCCCN1C(=O)C(=C2SC(=S)N(CC)C2=O)c2cc(-c3cnc(C4CCCN4)nc3)ccc21,JAEZTRWBVUZECJ-UHFFFAOYSA-N
-rxn:4:202603:223279,CCC1SC2=NC(C)=C(C(=O)OC)C(c3ccccc3-c3cnc(C4CCCN4)nc3)N2C1=O,LVRRMZGWGZLOGW-UHFFFAOYSA-N
-rxn:4:202604:223279,CCOC(=O)C1=C(C)N=C2SCCC(=O)N2C1c1ccc(-c2cnc(C3CCCN3)nc2)cc1,NPOURHDMMAUOLR-UHFFFAOYSA-N
-rxn:4:202606:223279,CCOC(=O)C1=C(C)N=C2SCCC(=O)N2C1c1ccccc1-c1cnc(C2CCCN2)nc1,TWTPVSZJKBQETB-UHFFFAOYSA-N
-rxn:4:202661:223279,CCCN1C(=O)C(=C2SC(=S)N(C(C)CC)C2=O)c2cc(-c3cnc(C4CCCN4)nc3)ccc21,LXSDPEMLJIPLDV-UHFFFAOYSA-N
-rxn:4:202661:225371,CCCN1C(=O)C(=C2SC(=S)N(C(C)CC)C2=O)c2cc(-c3cnc(C(F)(F)F)c(C(=O)OC)c3)ccc21,RYYZWXKTXIEQSU-UHFFFAOYSA-N
-rxn:4:202662:226844,CC1=C(C(=O)OC(C)C)C(c2cccc(-c3ccnc(C(=O)C(F)(F)F)c3)c2)N2C(=O)C(C)SC2=N1,BDUNQSFPBQKHCL-UHFFFAOYSA-N
-rxn:4:202675:222648,Cc1cc(C)c(-c2cn([Si](C(C)C)(C(C)C)C(C)C)c3ncccc23)cc1NC(=O)OC(C)(C)C,HCLFOWXCDRZORN-UHFFFAOYSA-N
-rxn:4:202678:223580,COC(=O)c1ccc2c(c1)cc(-c1cc3c(ccn3[Si](C(C)C)(C(C)C)C(C)C)cn1)n2C(=O)OC(C)(C)C,YSRLMQNZKIMBJQ-UHFFFAOYSA-N
-rxn:4:202684:223179,CONC(=O)c1cc(-c2ccc3c(c2)CCN(C2CN(C(=O)OC(C)(C)C)C2)C3)ccc1F,XDJIKUUQLRITCT-UHFFFAOYSA-N
-rxn:4:202689:223279,CC(C)(C)OC(=O)N1C(=O)CCC(N2Cc3cc(-c4cnc(C5CCCN5)nc4)ccc3C2=O)C1=O,KTDDVVZVFGQKCK-UHFFFAOYSA-N
-rxn:4:202697:223179,CONC(=O)c1cc(-c2ccc(C(=O)N=C3SC4CS(=O)(=O)CC4N3c3ccc(OC)cc3)cc2)ccc1F,NFFURUGCOCBUHE-UHFFFAOYSA-N
-rxn:4:202700:224150,Cc1c(F)cc(-c2ccc(CC(=O)N3C4CCC3CC(N3C(=O)CCC3=O)C4)cc2)cc1OCc1ccccc1,WPKVEEPAXVZKAQ-UHFFFAOYSA-N
-rxn:4:202712:223179,CONC(=O)c1cc(-c2ccc3c(c2)CN([C@H]2CCCN(C(=O)OC(C)(C)C)C2)C3=O)ccc1F,BUOYBCWGOMMGMG-IBGZPJMESA-N
-rxn:4:202713:223179,CONC(=O)c1cc(-c2ccc3c(c2)CN(C2CCN(C(=O)OC(C)(C)C)CC2)C3=O)ccc1F,JPEWOMKXRLLDSI-UHFFFAOYSA-N
-rxn:4:202713:226844,CC(C)(C)OC(=O)N1CCC(N2Cc3cc(-c4ccnc(C(=O)C(F)(F)F)c4)ccc3C2=O)CC1,AXXFBMJXTHIYBZ-UHFFFAOYSA-N
-rxn:4:202719:224758,O=C(c1ccc(-c2ccc(S(=O)(=O)c3c(C(=O)N4CCCCC4)cnc4ccccc34)cc2)cc1Cl)N1CCOCC1,KKUQTENEFGPMCL-UHFFFAOYSA-N
-rxn:4:202729:223179,CCCCN1C(=O)C(=C2SC(=S)N(C3CCCC3)C2=O)c2cc(-c3ccc(F)c(C(=O)NOC)c3)ccc21,FEKLWKRDCWYKGY-UHFFFAOYSA-N
-rxn:4:202740:223179,CONC(=O)c1cc(-c2ccc(OC)cc2C(=O)N2CCC(N3CCc4sccc4C3)CC2)ccc1F,LPXPDBFEZDFMHF-UHFFFAOYSA-N
-rxn:4:202755:223179,CONC(=O)c1cc(-c2ccc3c(c2)CN(C2CCN(C(=O)OC(C)(C)C)CC2)C(=O)CO3)ccc1F,FICCYHCZHRESAL-UHFFFAOYSA-N
-rxn:4:202755:226844,CC(C)(C)OC(=O)N1CCC(N2Cc3cc(-c4ccnc(C(=O)C(F)(F)F)c4)ccc3OCC2=O)CC1,RQLTZMVIUSONME-UHFFFAOYSA-N
-rxn:4:202756:223179,CCCCN1C(=O)C(=C2SC(=S)N(C3CCCCC3)C2=O)c2cc(-c3ccc(F)c(C(=O)NOC)c3)ccc21,FCYMVJSRDQLKKK-UHFFFAOYSA-N
-rxn:4:202796:223179,CONC(=O)c1cc(-c2cccc(N3CCn4c(cc5c4CC(C)(C)C5)C3=O)c2COC(C)=O)ccc1F,HJQDIBOCYRJXBP-UHFFFAOYSA-N
-rxn:4:202800:223179,CC#Cc1cc2c(c(F)c1-c1ccc(F)c(C(=O)NOC)c1)OC[C@H]1CN(C(=O)OC(C)(C)C)CCN1C2,KKQGIZHAWPKEBB-HXUWFJFHSA-N
-rxn:4:202800:226844,CC#Cc1cc2c(c(F)c1-c1ccnc(C(=O)C(F)(F)F)c1)OC[C@H]1CN(C(=O)OC(C)(C)C)CCN1C2,HOCLOCIPAYPSKF-LJQANCHMSA-N
-rxn:4:202807:223179,CONC(=O)c1cc(-c2ccc(Sc3c(C)nn(C(=O)C45CC6CC(CC(C6)C4)C5)c3C)cc2)ccc1F,WVWBABNGHYKFGV-UHFFFAOYSA-N
-rxn:4:203362:223542,CN1CCN(S(=O)(=O)c2cc(-c3ccnc(N(C)CC4CC4)c3)ccc2OC(F)(F)F)CC1,OXBQMRGPYTUHDX-UHFFFAOYSA-N
-rxn:4:203644:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1cccnc1OC1CCN(S(C)(=O)=O)C1,NRRRDEJAQYTUCX-UHFFFAOYSA-N
-rxn:4:203644:224325,CS(=O)(=O)N1CC=C(c2ccc(-c3cccnc3OC3CCN(S(C)(=O)=O)C3)cc2)CC1,JVKYMFSGPLTIRT-UHFFFAOYSA-N
-rxn:4:203644:224326,Cc1cc(-c2cccnc2OC2CCN(S(C)(=O)=O)C2)ccc1S(=O)(=O)N1CCCCC1,QRDGSSJVKVXBBE-UHFFFAOYSA-N
-rxn:4:203647:224325,COC(=O)c1nc(N2CCOCC2)ccc1-c1ccc(C2=CCN(S(C)(=O)=O)CC2)cc1,AGJULYPKQRDFRG-UHFFFAOYSA-N
-rxn:4:203649:224327,CC1CCCN(S(=O)(=O)c2cccc(-c3ccc(Cl)c(C(=O)N4CCC(C#N)CC4)c3)c2)C1,ULCJXJPKWQSQNL-UHFFFAOYSA-N
-rxn:4:203649:224328,CC1CCCCN1S(=O)(=O)c1cccc(-c2ccc(Cl)c(C(=O)N3CCC(C#N)CC3)c2)c1,LYHSAQHONHSMHR-UHFFFAOYSA-N
-rxn:4:203677:224325,CC1=C(C#N)CCC(=O)N1Cc1ccc(-c2ccc(C3=CCN(S(C)(=O)=O)CC3)cc2)cc1,IEMPEPSINVWZLN-UHFFFAOYSA-N
-rxn:4:203684:224325,COc1c(-c2ccc(C3=CCN(S(C)(=O)=O)CC3)cc2)cncc1S(=O)(=O)N1CCOCC1,UJQINJYHWMTJTR-UHFFFAOYSA-N
-rxn:4:203790:225602,N#CC1(c2ccc(F)c(-c3ccc(Cl)c(C(=O)N4CC(N5C(=O)CCC5=O)C4)c3)c2)CCC1,OXQUUGYICSNUSV-UHFFFAOYSA-N
-rxn:4:203833:223279,O=C(c1ccc(-c2cnc(C3CCCN3)nc2)o1)N1CCC(N2C(=O)CSC2=O)CC1,DCIXALOMXNBAKE-UHFFFAOYSA-N
-rxn:4:203865:223969,CCN1CCN(Cc2cccc(-c3cc(C(F)(F)F)ccc3N3CCC(C)CC3)c2Cl)CC1,PPVXKERPHZEVTE-UHFFFAOYSA-N
-rxn:4:203895:224325,CCS(=O)(=O)N1CCN(c2ccccc2-c2ccc(C3=CCN(S(C)(=O)=O)CC3)cc2)CC1,OVYFOIMWIKKSPB-UHFFFAOYSA-N
-rxn:4:203897:224325,CCS(=O)(=O)N1CCN(c2cccc(-c3ccc(C4=CCN(S(C)(=O)=O)CC4)cc3)c2)CC1,GBBDYVZDHGTWOJ-UHFFFAOYSA-N
-rxn:4:203917:224719,Cc1ccc(C2=NC(=Cc3cccc(-c4cn(C(=O)OC(C)(C)C)nc4C(C)C)c3)C(=O)O2)cc1[N+](=O)[O-],UHARJCUPWGDFNE-UHFFFAOYSA-N
-rxn:4:203937:222915,O=C(NC1=NCCS1)c1ccc(-c2ccccc2S(=O)(=O)N2CC(N3CCCC3)C2)cc1,LVLUJPVAEBWEBT-UHFFFAOYSA-N
-rxn:4:203938:225385,O=S(=O)(C1CC1)N1CCN(c2ccc(-c3cc(C(F)(F)F)nc(C(F)(F)F)c3)cc2)CC1,XPEKBSUHZUQCSG-UHFFFAOYSA-N
-rxn:4:203941:223179,CONC(=O)c1cc(-c2cc(C)cc([N+](=O)[O-])c2N2CCCC(C(C)=O)C2=O)ccc1F,OSWVUNYILKELFO-UHFFFAOYSA-N
-rxn:4:203941:226844,CC(=O)C1CCCN(c2c(-c3ccnc(C(=O)C(F)(F)F)c3)cc(C)cc2[N+](=O)[O-])C1=O,BVZROQFMACBEOZ-UHFFFAOYSA-N
-rxn:4:203977:223279,O=C(c1ccccc1-c1cnc(C2CCCN2)nc1)N1CCC(N2C(=O)CSC2=O)CC1,DNEHXAVVRINYHL-UHFFFAOYSA-N
-rxn:4:203977:224336,O=C(c1ccccc1-c1ccc(N2CCCCC2)cc1C(F)(F)F)N1CCC(N2C(=O)CSC2=O)CC1,ZCWHXWCDDMAMCN-UHFFFAOYSA-N
-rxn:4:203985:223279,O=C(c1ccccc1-c1cnc(C2CCCN2)nc1)N1CCC(N2C(=O)COC2=O)CC1,KPPAOWBQKAZFDW-UHFFFAOYSA-N
-rxn:4:203987:223279,O=C(c1cc(-c2cnc(C3CCCN3)nc2)ccc1Cl)N1CCC(N2C(=O)COC2=O)CC1,GXUWKKOUIMIUCR-UHFFFAOYSA-N
-rxn:4:204030:223550,CC(C)c1cccc(C(C)C)c1OCc1ccccc1-c1cccc(N2CCN(S(=O)(=O)C(C)C)CC2)c1,OZNXPNKHSCZFSM-UHFFFAOYSA-N
-rxn:4:204039:224791,CC(C)OC(=O)c1ccc(-c2cccc(N3CCC(N(C)C)CC3)c2C(F)(F)F)c([N+](=O)[O-])c1,WHTBDROVQKAQNC-UHFFFAOYSA-N
-rxn:4:204046:223279,O=C1CSC(=O)N1C1CCN(S(=O)(=O)c2ccccc2-c2cnc(C3CCCN3)nc2)CC1,KFXQLIKZWMFWMV-UHFFFAOYSA-N
-rxn:4:204054:227611,O=C(c1ccc(-c2ccnn2C2CCCCO2)o1)N1CCCN(C2CCOC2)CC1,AWYYCCGZQGIXIM-UHFFFAOYSA-N
-rxn:4:204075:226844,CC(=O)N1CCN(S(=O)(=O)c2cc(C)c(-c3ccnc(C(=O)C(F)(F)F)c3)cc2C)CC1,CGNYTHHEBJBXPH-UHFFFAOYSA-N
-rxn:4:204077:223179,CONC(=O)c1cc(-c2ccc(CN3CCC(F)(F)C3)c(N3CCOCC3)c2)ccc1F,FNDACJVAUUZSLR-UHFFFAOYSA-N
-rxn:4:204077:226844,O=C(c1cc(-c2ccc(CN3CCC(F)(F)C3)c(N3CCOCC3)c2)ccn1)C(F)(F)F,CFIJMKALTHJDEM-UHFFFAOYSA-N
-rxn:4:204082:223279,O=C(c1cccc(-c2cnc(C3CCCN3)nc2)c1)N1CCC(N2C(=O)COCC2=O)CC1,IIKPCYLVKUYNSV-UHFFFAOYSA-N
-rxn:4:204100:222897,CCCCNS(=O)(=O)c1cccc(-c2cccc(C(=O)N3CCCN(C4CCC4)CC3)c2)c1,FTGWZTMUCKROET-UHFFFAOYSA-N
-rxn:4:204103:224404,O=C(c1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)c(F)c2)cc1)N1CCC(N2CCCC2)CC1,SSYNJJCVXZCTGW-UHFFFAOYSA-N
-rxn:4:204108:224711,CCCCOc1ccc(C(F)(F)F)cc1-c1cncc(C(=O)N2CCC(c3ccccc3)S(=O)(=O)CC2)c1,CNHNZZMZFJABKP-UHFFFAOYSA-N
-rxn:4:204109:223179,CONC(=O)c1cc(-c2ccccc2S(=O)(=O)N2CCC(N3C(=O)COCC3=O)CC2)ccc1F,HYABMKXEUFHKOO-UHFFFAOYSA-N
-rxn:4:204109:223279,O=C1COCC(=O)N1C1CCN(S(=O)(=O)c2ccccc2-c2cnc(C3CCCN3)nc2)CC1,ZKGJKZNNMBJQGP-UHFFFAOYSA-N
-rxn:4:204114:223279,O=C(c1ccc(-c2cnc(C3CCCN3)nc2)o1)N1CCCN(C2CCSCC2)CC1,KVDCZGNUAYBPNH-UHFFFAOYSA-N
-rxn:4:204115:222920,Cc1cc(S(=O)(=O)NC2CC2)ccc1-c1ccccc1S(=O)(=O)N1CCCN(C2CCC2)CC1,AUUAMNKRUPXZMJ-UHFFFAOYSA-N
-rxn:4:204119:223179,CONC(=O)c1cc(-c2ccc(CN3CCC(F)(F)C3)c(N3CCCCC3)c2)ccc1F,JSNRFTZKCMPFHG-UHFFFAOYSA-N
-rxn:4:204119:226844,O=C(c1cc(-c2ccc(CN3CCC(F)(F)C3)c(N3CCCCC3)c2)ccn1)C(F)(F)F,QLJMWHMAPUOAIF-UHFFFAOYSA-N
-rxn:4:204120:226844,O=C(c1cc(-c2ccc(CN3CCCC(F)(F)C3)c(N3CCCC3)c2)ccn1)C(F)(F)F,KXGKAMNNQXLGKS-UHFFFAOYSA-N
-rxn:4:204128:225354,CCOc1cc(-c2ccc(C(=O)N3C(=S)C(c4ccccc4)=NC34CCCC4)cc2)cc(C(F)(F)F)c1F,GTTHTDGXMFQZKK-UHFFFAOYSA-N
-rxn:4:204133:223904,CC(C)(C)OC(=O)N1CC(c2cccc(-c3ccc(CN4CCOCC4)c(N4CCCCC4)c3)c2)C1,GSTVBOGLGZUQHS-UHFFFAOYSA-N
-rxn:4:204135:222413,Cc1cc(S(N)(=O)=O)ccc1-c1ccccc1S(=O)(=O)N1CCCN(C2CCSC2)CC1,QFPKPDKOPWGCLS-UHFFFAOYSA-N
-rxn:4:204135:223279,O=S(=O)(c1ccccc1-c1cnc(C2CCCN2)nc1)N1CCCN(C2CCSC2)CC1,ASIXCQBTHHYZFS-UHFFFAOYSA-N
-rxn:4:204136:223279,FC1(F)CCCN(Cc2ccc(-c3cnc(C4CCCN4)nc3)cc2N2CCOCC2)C1,RNFABXHJZQQGAQ-UHFFFAOYSA-N
-rxn:4:204137:223179,CONC(=O)c1cc(-c2ccc(CN3CCC(F)(F)CC3)c(N3CCOCC3)c2)ccc1F,ODOABBBYTBJVQS-UHFFFAOYSA-N
-rxn:4:204137:223279,FC1(F)CCN(Cc2ccc(-c3cnc(C4CCCN4)nc3)cc2N2CCOCC2)CC1,HHNLPHDLKYGQNO-UHFFFAOYSA-N
-rxn:4:204142:223179,CONC(=O)c1cc(-c2ccc(CN3CCOC(C)C3)c(N3CCOCC3)c2)ccc1F,XQZPWXLSPXUNLU-UHFFFAOYSA-N
-rxn:4:204152:223179,CONC(=O)c1cc(-c2ccc(CN3CCC(F)(F)CC3)c(N3CCCCC3)c2)ccc1F,QRPWDKNQKNNKHE-UHFFFAOYSA-N
-rxn:4:204154:224328,Cc1cc(-c2cccc(S(=O)(=O)N3CCCCC3C)c2)c(S(=O)(=O)N2CCN(c3ccccc3)CC2)cc1C,OBDZCBUFECXYTR-UHFFFAOYSA-N
-rxn:4:204164:223179,CONC(=O)c1cc(-c2ccc(C3=NC4(CCCCC4)N(C(=O)c4ccc(Cl)cc4)C3=S)cc2)ccc1F,JDNUBLUAPMVPEW-UHFFFAOYSA-N
-rxn:4:204167:223179,CONC(=O)c1cc(-c2ccc(CN3CCCC(C)C3)c(N3CCOCC3)c2)ccc1F,TZFSMUNXHQMDQY-UHFFFAOYSA-N
-rxn:4:204169:223179,CONC(=O)c1cc(-c2ccc(CN3CCOC(C)C3)c(N3CCCCC3)c2)ccc1F,GILLQJOGPFRKAH-UHFFFAOYSA-N
-rxn:4:204169:226179,CC1CN(Cc2ccc(-c3cncc(C4CCCCC4)c3)cc2N2CCCCC2)CCO1,PLKHPDZHOGQWGK-UHFFFAOYSA-N
-rxn:4:204170:223134,CC1CCCCN1Cc1ccc(-c2cnccc2C2CCCNC2)cc1N1CCCCC1,DNWGTPUBRPQHRN-UHFFFAOYSA-N
-rxn:4:204170:226844,CC1CCCCN1Cc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1N1CCCCC1,LNEPJNHJMCIQPV-UHFFFAOYSA-N
-rxn:4:204171:226844,CC1CCCN(Cc2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2N2CCCCC2)C1,AQIDWOWBLBGRCI-UHFFFAOYSA-N
-rxn:4:204177:223179,CONC(=O)c1cc(-c2ccc(C3=NC4(CCCCCC4)N(C(=O)c4ccc(F)cc4)C3=S)cc2)ccc1F,GODDLINDPMCKDU-UHFFFAOYSA-N
-rxn:4:204182:223064,Cc1cc(-c2ccc(C3CCNCC3)nc2F)c(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)cc1C,JTMDCPMMFCHZLF-UHFFFAOYSA-N
-rxn:4:204186:223179,CONC(=O)c1cc(-c2c(C)cc(C)c(S(=O)(=O)N3CCN(c4cccc(C)c4C)CC3)c2C)ccc1F,PKULPSCIGOEMJD-UHFFFAOYSA-N
-rxn:4:204416:225543,CCCCC(=O)c1ccc(F)c(-c2cc3c(cc2[N+](=O)[O-])CCN(C(=O)C(F)(F)F)C3)c1,XOSQNXQERHPXRL-UHFFFAOYSA-N
-rxn:4:204580:224408,COC(=O)c1cc(-c2cc(C(F)(F)F)nn2C(=O)OC(C)(C)C)c2c(c1)ncn2C1CCCC1,IRRYRMMBDCQLKD-UHFFFAOYSA-N
-rxn:4:204585:222936,CCC(=O)NS(=O)(=O)c1ccc(-c2cnc3c(c2)C(=O)CCN3C(=O)OC(C)(C)C)cc1,VVCZAUCTCGTQJL-UHFFFAOYSA-N
-rxn:4:204585:223696,CC(C)(C)OC(=O)N1CCC(=O)c2cc(-c3ccc(S(=O)(=O)N4CCC5(CC4)OCCO5)cc3)cnc21,FMFQMTGYPUQKEG-UHFFFAOYSA-N
-rxn:4:204645:224730,CC(C)COc1ccc(C(F)(F)F)cc1-c1ccc(OC(=O)N2CCN3CCC2CC3)cc1,OWZFCTZRGUQJLC-UHFFFAOYSA-N
-rxn:4:204653:223279,COCCN1C(=O)C(=C2C(=O)N(C)c3ccc(-c4cnc(C5CCCN5)nc4)cc32)SC1=S,XEPIZMVPBQUODN-UHFFFAOYSA-N
-rxn:4:204659:223079,CC(C)NS(=O)(=O)c1cccc(-c2cnc3c(c2)COC32CN(C(=O)OC(C)(C)C)C2)c1,VYLSTNRYCIAQDE-UHFFFAOYSA-N
-rxn:4:204689:223279,CCCN1C(=O)C(=C2SC(=S)N(CC)C2=O)c2cc(-c3cnc(C4CCCN4)nc3)ccc21,IXBJNENSMQXEOL-UHFFFAOYSA-N
-rxn:4:204690:223279,CCCN1C(=O)C(=C2C(=O)N(CC)c3ccc(-c4cnc(C5CCCN5)nc4)cc32)SC1=S,DTSYKBSKVCRVFU-UHFFFAOYSA-N
-rxn:4:204690:223490,CCCN1C(=O)C(=C2C(=O)N(CC)c3ccc(-c4ccc(C)c(S(=O)(=O)N5CCN(C(=O)OC(C)(C)C)CC5)c4)cc32)SC1=S,YQXIWPNDQIHVSB-UHFFFAOYSA-N
-rxn:4:204691:223279,CCCCN1C(=O)C(=C2SC(=S)N(C)C2=O)c2cc(-c3cnc(C4CCCN4)nc3)ccc21,HPBRLCLFZKMVGD-UHFFFAOYSA-N
-rxn:4:204693:223179,CONC(=O)c1cc(-c2cccc(N3C(=NC(=O)C4CC4)SC4CS(=O)(=O)CC43)c2)ccc1F,JOMBJSMJATWARE-UHFFFAOYSA-N
-rxn:4:204693:223279,O=C(N=C1SC2CS(=O)(=O)CC2N1c1cccc(-c2cnc(C3CCCN3)nc2)c1)C1CC1,MLKCAVZYSOEVQA-UHFFFAOYSA-N
-rxn:4:204693:226844,O=C(N=C1SC2CS(=O)(=O)CC2N1c1cccc(-c2ccnc(C(=O)C(F)(F)F)c2)c1)C1CC1,GNIDMMXYRMKNFV-UHFFFAOYSA-N
-rxn:4:204694:223179,CONC(=O)c1cc(-c2ccc(N3C(=NC(=O)C4CC4)SC4CS(=O)(=O)CC43)cc2)ccc1F,FEJQTIMKJZEFFK-UHFFFAOYSA-N
-rxn:4:204696:223279,COC(=O)C1=C(C)N=C2SCCC(=O)N2C1c1ccccc1-c1cnc(C2CCCN2)nc1,GNMPOIRGPRWVHS-UHFFFAOYSA-N
-rxn:4:204697:223279,COC(=O)C1=C(C)N=C2SC(C)C(=O)N2C1c1ccc(-c2cnc(C3CCCN3)nc2)cc1,WMMJBTSTKJTWFG-UHFFFAOYSA-N
-rxn:4:204706:223179,CONC(=O)c1cc(-c2ccc(N3C(=NC(=O)C4CC4)SC4CS(=O)(=O)CC43)c(F)c2)ccc1F,AHLINVUNKGJSAP-UHFFFAOYSA-N
-rxn:4:204722:223179,CONC(=O)c1cc(-c2cccc(N3C(=NC(=O)C(C)C)SC4CS(=O)(=O)CC43)c2)ccc1F,XCENXVYKKUHCMM-UHFFFAOYSA-N
-rxn:4:204723:223279,CC(C)C(=O)N=C1SC2CS(=O)(=O)CC2N1c1ccc(-c2cnc(C3CCCN3)nc2)cc1,CMAYXAHUAOVUPJ-UHFFFAOYSA-N
-rxn:4:204738:223279,CCCN1C(=O)C(=C2SC(=S)N(C(C)C)C2=O)c2cc(-c3cnc(C4CCCN4)nc3)ccc21,WIHZUUMKALLOHY-UHFFFAOYSA-N
-rxn:4:204739:223279,CCC(C)N1C(=O)C(=C2C(=O)N(CC)c3ccc(-c4cnc(C5CCCN5)nc4)cc32)SC1=S,HCANITCHOJLKAL-UHFFFAOYSA-N
-rxn:4:204740:222445,CCN1C(=O)C(=C2SC(=S)N(CC(C)C)C2=O)c2cc(-c3cccc(C(=O)NCc4cccc(OC)c4)c3F)ccc21,DYCLBQNQEJNUFU-UHFFFAOYSA-N
-rxn:4:204740:223279,CCN1C(=O)C(=C2SC(=S)N(CC(C)C)C2=O)c2cc(-c3cnc(C4CCCN4)nc3)ccc21,ZLSIEOQUFBKDLU-UHFFFAOYSA-N
-rxn:4:204747:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3cccc(CN4CC5C(=O)N(c6ccccc6)C(=O)C5C4)c3)cc2)CC1,COJMHENZIWSFNH-UHFFFAOYSA-N
-rxn:4:204776:223179,CONC(=O)c1cc(-c2ccc(N3C(=O)N(c4cccc(C(F)(F)F)c4)C4CS(=O)(=O)CC43)cc2)ccc1F,AVEATCQBZRODEB-UHFFFAOYSA-N
-rxn:4:204776:226844,O=C1N(c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2)C2CS(=O)(=O)CC2N1c1cccc(C(F)(F)F)c1,PCTUAXDEBPBDLE-UHFFFAOYSA-N
-rxn:4:204781:223179,CONC(=O)c1cc(-c2ccccc2C(=O)N2C3CCC2CC(N2C(=O)CCC2=O)C3)ccc1F,GLHLBRYMRSLEMZ-UHFFFAOYSA-N
-rxn:4:204799:222827,O=C(C1=CN(c2ccc(-c3cc(F)c(S(=O)(=O)NC4CC4)cc3F)cc2)c2cc(F)ccc2S1(=O)=O)N1CCCC1,LOMSENRPYYWMON-UHFFFAOYSA-N
-rxn:4:204804:223279,O=C1CCC(=O)N1C1CC2CCC(C1)N2S(=O)(=O)c1ccccc1-c1cnc(C2CCCN2)nc1,ZTMZRNLIYINYFN-UHFFFAOYSA-N
-rxn:4:204830:223179,CONC(=O)c1cc(-c2cccc(N3C=C(C(=O)N4CCCCC4)S(=O)(=O)c4ccccc43)c2)ccc1F,SWTJYHKZZJTTJC-UHFFFAOYSA-N
-rxn:4:204833:223279,Cc1cc(N2C=C(C(=O)N3CCCC3)S(=O)(=O)c3ccc(Cl)cc32)ccc1-c1cnc(C2CCCN2)nc1,CMCWROWBAJNWRR-UHFFFAOYSA-N
-rxn:4:204833:226844,Cc1cc(N2C=C(C(=O)N3CCCC3)S(=O)(=O)c3ccc(Cl)cc32)ccc1-c1ccnc(C(=O)C(F)(F)F)c1,QMTXZORQJGKMKQ-UHFFFAOYSA-N
-rxn:4:204834:223179,CONC(=O)c1cc(-c2cccc(N3C=C(C(=O)N4CCCCC4)S(=O)(=O)c4ccc(Cl)cc43)c2)ccc1F,YSLYJLNSWCNBGS-UHFFFAOYSA-N
-rxn:4:204842:223279,Cc1cc(N2C=C(C(=O)N3CCOCC3)S(=O)(=O)c3ccccc32)ccc1-c1cnc(C2CCCN2)nc1,VFPYVJULEGESBS-UHFFFAOYSA-N
-rxn:4:204842:226844,Cc1cc(N2C=C(C(=O)N3CCOCC3)S(=O)(=O)c3ccccc32)ccc1-c1ccnc(C(=O)C(F)(F)F)c1,BZZPQGWMVZJYAC-UHFFFAOYSA-N
-rxn:4:204843:223179,CONC(=O)c1cc(-c2ccc(N3C=C(C(=O)N4CCOCC4)S(=O)(=O)c4ccc(F)cc43)cc2C)ccc1F,CUHKHBBCNQKQJK-UHFFFAOYSA-N
-rxn:4:204843:223279,Cc1cc(N2C=C(C(=O)N3CCOCC3)S(=O)(=O)c3ccc(F)cc32)ccc1-c1cnc(C2CCCN2)nc1,XUGXMIIZKNKPMV-UHFFFAOYSA-N
-rxn:4:204843:226844,Cc1cc(N2C=C(C(=O)N3CCOCC3)S(=O)(=O)c3ccc(F)cc32)ccc1-c1ccnc(C(=O)C(F)(F)F)c1,CWNPYRCDMJAZDU-UHFFFAOYSA-N
-rxn:4:204845:223279,Cc1cc(C)cc(N2C(=O)N(Cc3ccc(-c4cnc(C5CCCN5)nc4)cc3F)C3CS(=O)(=O)CC32)c1,FCAKENBLAZKGNT-UHFFFAOYSA-N
-rxn:4:204860:223179,CONC(=O)c1cc(-c2ccc(OC)cc2C(=O)N2C3CCC2CC2(C3)CN(C)C(=O)CO2)ccc1F,SZCUQQBMKWWFKC-UHFFFAOYSA-N
-rxn:4:204860:223279,COc1ccc(-c2cnc(C3CCCN3)nc2)c(C(=O)N2C3CCC2CC2(C3)CN(C)C(=O)CO2)c1,FBHMETPXVAOHBP-UHFFFAOYSA-N
-rxn:4:204865:223179,CONC(=O)c1cc(-c2cccc(N3C=C(C(=O)N4CCC(C)CC4)S(=O)(=O)c4ccccc43)c2)ccc1F,BXAXXDJKWYQDQJ-UHFFFAOYSA-N
-rxn:4:204865:226844,CC1CCN(C(=O)C2=CN(c3cccc(-c4ccnc(C(=O)C(F)(F)F)c4)c3)c3ccccc3S2(=O)=O)CC1,QPWNZUAGWMTZJD-UHFFFAOYSA-N
-rxn:4:204866:223179,CONC(=O)c1cc(-c2ccc(N3C=C(C(=O)N4CCC(C)CC4)S(=O)(=O)c4ccccc43)cc2)ccc1F,XTWKMSJRFXVKCA-UHFFFAOYSA-N
-rxn:4:204868:223179,CONC(=O)c1cc(-c2ccc(N3C=C(C(=O)N4CCC(C)CC4)S(=O)(=O)c4ccc(Cl)cc43)cc2)ccc1F,NTMMWGSXQIYTOJ-UHFFFAOYSA-N
-rxn:4:204869:226844,Cc1cc(N2C=C(C(=O)N3CCCCC3)S(=O)(=O)c3ccc(Cl)cc32)ccc1-c1ccnc(C(=O)C(F)(F)F)c1,RBZQHJYQQCMLRI-UHFFFAOYSA-N
-rxn:4:204870:226844,Cc1cc(N2C=C(C(=O)N3CCCCC3)S(=O)(=O)c3ccc(F)cc32)ccc1-c1ccnc(C(=O)C(F)(F)F)c1,ULLIJFTZRJYANK-UHFFFAOYSA-N
-rxn:4:204874:223179,CONC(=O)c1cc(-c2ccc(C3OC4(C(=O)c5ccccc5C4=O)C4C(=O)N(c5cccc([N+](=O)[O-])c5)C(=O)C34)cc2)ccc1F,PBKURHIFCMHOOT-UHFFFAOYSA-N
-rxn:4:204877:223179,CONC(=O)c1cc(-c2ccc(N3C=C(C(=O)N4CCC(C)CC4)S(=O)(=O)c4ccccc43)cc2C)ccc1F,KTDDUEHPDUHVSI-UHFFFAOYSA-N
-rxn:4:204893:224953,CC(C)(C)OC(=O)N1C2CCCC1c1sc(-c3ccc(OCC4CCCCC4)nc3)nc1C2,SVKPPXJZNGHBOS-UHFFFAOYSA-N
-rxn:4:204948:223777,CC(C)(C)OC(=O)N1CCc2c(ccc(-c3ccc(C(=O)N4C(=O)N(c5ccc(Cl)cc5)C5(C)CC4c4ccccc4O5)cc3)c2F)C1,BWXBOHKHCMCKLU-UHFFFAOYSA-N
-rxn:4:204955:223179,CONC(=O)c1cc(-c2ccc3c(c2)C2CC(c4ccc(OC)cc4)=NN2C(C2CCCCC2)O3)ccc1F,KRTJHEZRKUHACQ-UHFFFAOYSA-N
-rxn:4:204955:223279,COc1ccc(C2=NN3C(C2)c2cc(-c4cnc(C5CCCN5)nc4)ccc2OC3C2CCCCC2)cc1,DDVJGUKTTXDNBF-UHFFFAOYSA-N
-rxn:4:204955:225897,COc1ccc(C2=NN3C(C2)c2cc(-c4ccccc4COCC(F)(F)F)ccc2OC3C2CCCCC2)cc1,LAXBAATVBVXGRW-UHFFFAOYSA-N
-rxn:4:204955:226844,COc1ccc(C2=NN3C(C2)c2cc(-c4ccnc(C(=O)C(F)(F)F)c4)ccc2OC3C2CCCCC2)cc1,ODDZQIKQYZTXLZ-UHFFFAOYSA-N
-rxn:4:206356:223835,Cc1cc(F)c(-c2cccc(CN3CCC(F)(F)C3)n2)cc1S(=O)(=O)N1CCC(C)CC1,ZSXBDDXQJXCUOW-UHFFFAOYSA-N
-rxn:4:206434:223669,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(Cl)cc3C(=O)N3CCOCC3)cn2)CC1,QYIFJADJLUZVJA-UHFFFAOYSA-N
-rxn:4:206483:223474,COc1nn(C2CCCCO2)cc1-c1ccc(OCc2ccccc2)c(C23CC4CC(CC(C4)C2)C3)c1,XOMSZTRUVLAKGH-UHFFFAOYSA-N
-rxn:4:206524:222542,Cc1ccc(-c2cncc(S(=O)(=O)N3CCOCC3)c2)cc1OCCCN1CCNCC1,LFFFERLMXBJZHV-UHFFFAOYSA-N
-rxn:4:206693:223640,CCOC12C(=O)c3cc(F)cc(-c4ccc(CN5CCC(F)(F)CC5)cn4)c3C(=O)C1C2(C)C,DMMZELAWZOGVFG-UHFFFAOYSA-N
-rxn:4:206694:222604,COc1ccc(-c2cccc(C3CCCN3S(C)(=O)=O)n2)cc1S(=O)(=O)NC1CCCC1,VGICCJIEUYAOMV-UHFFFAOYSA-N
-rxn:4:206828:222466,CN1CCN(C(=S)c2ccc(-c3cc(C4CCCCC4)nc(C4CCNCC4)c3)cc2)CC1,AUFQFKWBVBNLSB-UHFFFAOYSA-N
-rxn:4:206958:224372,CC1CCN(S(=O)(=O)c2ccc(-c3cc(C(=O)N4CCCC4)cc([N+](=O)[O-])c3)cn2)CC1,QKNOYZLCSACHFE-UHFFFAOYSA-N
-rxn:4:206959:224325,CS(=O)(=O)N1CC=C(c2ccc(-c3cccc(N4CCN(S(C)(=O)=O)CC4)c3)cc2)CC1,PNYLAEISEDGVLV-UHFFFAOYSA-N
-rxn:4:206964:222607,CS(=O)(=O)N1CCC(Nc2ccc(-c3ccc(C4CCN(S(C)(=O)=O)CC4)nc3)cc2)CC1,VCSGGJJBUJEDAN-UHFFFAOYSA-N
-rxn:4:206964:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3ccc(C4CCN(S(C)(=O)=O)CC4)nc3)cc2)CC1,JVSWDDWPMPKSGF-UHFFFAOYSA-N
-rxn:4:206964:224325,CS(=O)(=O)N1CC=C(c2ccc(-c3ccc(C4CCN(S(C)(=O)=O)CC4)nc3)cc2)CC1,AWTLCLFSVMRPNW-UHFFFAOYSA-N
-rxn:4:206970:222818,COC(=O)c1cc(-c2cc(N3CCC(C)CC3)c([N+](=O)[O-])cc2F)c(F)cc1NC(C)=O,SIFHHQAUPCBLPP-UHFFFAOYSA-N
-rxn:4:206979:224191,COc1ccc(O[Si](C)(C)C(C)(C)C)cc1-c1cc(C(F)(F)F)ccc1N1CCN(C)CC1,JBVPCDDNVCQAOP-UHFFFAOYSA-N
-rxn:4:207033:223999,CC1CCN(S(=O)(=O)c2ccc(F)c(-c3nc(C4CCCC4)cc(C(C)(C)C)n3)c2)CC1,DWFCBGYCCCCYJU-UHFFFAOYSA-N
-rxn:4:207060:223810,Cc1cc(-c2ccc(S(=O)(=O)N3CCCN(C)CC3)cc2)cc(C)c1S(=O)(=O)N1CCC(C)CC1,PTWHLCNDSVHIJH-UHFFFAOYSA-N
-rxn:4:207085:222856,COc1ccc(C2CCNCC2)cc1-c1cc(S(=O)(=O)N2CCN(C)CC2)c(C)cc1C,JQOKROGSPLGWQP-UHFFFAOYSA-N
-rxn:4:207092:226844,CC1(C)COC(c2ccc(C3=NC(C)(C)CO3)c(-c3ccnc(C(=O)C(F)(F)F)c3)c2)=N1,DZXJOKLYWVNUBV-UHFFFAOYSA-N
-rxn:4:207521:223497,CC(c1ccc(-c2cnc3c(c2)cc(Cl)n3S(=O)(=O)c2ccccc2)cc1)N1CCC(O[Si](C)(C)C(C)(C)C)CC1,HPKFWXWJUWKJSQ-UHFFFAOYSA-N
-rxn:4:207736:223970,Cc1ccc(-c2ccc(OC3CC4CCC(C3)N4C)nc2)cc1S(=O)(=O)N1CCC(C)CC1,BDKVVBJILRKTNT-UHFFFAOYSA-N
-rxn:4:207747:226844,CC(=O)N=C1SC2CS(=O)(=O)CC2N1c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1,RZHHDPWPIYSLNB-UHFFFAOYSA-N
-rxn:4:207748:223179,CONC(=O)c1cc(-c2cccc(N3C(=NC(C)=O)SC4CS(=O)(=O)CC43)c2)ccc1F,AHCWJMHFAKVVMD-UHFFFAOYSA-N
-rxn:4:207748:226844,CC(=O)N=C1SC2CS(=O)(=O)CC2N1c1cccc(-c2ccnc(C(=O)C(F)(F)F)c2)c1,SYPVUXPXKHRTFQ-UHFFFAOYSA-N
-rxn:4:207759:223179,CONC(=O)c1cc(-c2ccc(N3C(=NC(C)=O)SC4CS(=O)(=O)CC43)c(Cl)c2)ccc1F,OHFKAEGUSBABIU-UHFFFAOYSA-N
-rxn:4:207759:226844,CC(=O)N=C1SC2CS(=O)(=O)CC2N1c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1Cl,GGDUEAWYAJNLCT-UHFFFAOYSA-N
-rxn:4:207760:223179,CONC(=O)c1cc(-c2ccc(N3C(=NC(C)=O)SC4CS(=O)(=O)CC43)c(F)c2)ccc1F,QSZZTLBDCZNDGZ-UHFFFAOYSA-N
-rxn:4:207779:222695,Cc1ccc(-c2ccc(S(=O)(=O)N3CCN4CCC3CC4)cc2)cc1S(=O)(=O)NC1CCCC1,AKPLPDFGTUXNJZ-UHFFFAOYSA-N
-rxn:4:207818:223279,CCN1C(=O)C(=C2SC(=S)N(C(C)C)C2=O)c2cc(-c3cnc(C4CCCN4)nc3)ccc21,JFJUTQBIESBCPY-UHFFFAOYSA-N
-rxn:4:207828:224485,CC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2cccc(N3C(=O)N(c4ccc(F)cc4)C4CS(=O)(=O)CC43)c2)c1,OAZRYOYTJDXFEO-UHFFFAOYSA-N
-rxn:4:207834:223179,CONC(=O)c1cc(-c2cc(C)c(N3C(=NC(C)=O)SC4CS(=O)(=O)CC43)c(C)c2)ccc1F,JEBGBGOENBTGRF-UHFFFAOYSA-N
-rxn:4:207834:226844,CC(=O)N=C1SC2CS(=O)(=O)CC2N1c1c(C)cc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1C,RQHPLECOKOGVET-UHFFFAOYSA-N
-rxn:4:207839:224405,O=C1CC(N2CCc3ccccc3C2)C(=O)N1c1ccc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCCC2)cc1,KLWKDWJHFPUBSS-UHFFFAOYSA-N
-rxn:4:207857:223179,CONC(=O)c1cc(-c2ccc(C(=O)N3C4CCC3CC3(C4)CN(C)C(=O)C(C)O3)o2)ccc1F,ASNYQICHKUFSNN-UHFFFAOYSA-N
-rxn:4:207857:223279,CC1OC2(CC3CCC(C2)N3C(=O)c2ccc(-c3cnc(C4CCCN4)nc3)o2)CN(C)C1=O,LXDDIAGKRRESQF-UHFFFAOYSA-N
-rxn:4:207858:224239,CCN1C(=O)C(=C2SC(=S)N(C3CCCCC3)C2=O)c2cc(-c3ccc(F)c(F)c3OCc3ccccc3)ccc21,KXHNWYPBVJSXMO-UHFFFAOYSA-N
-rxn:4:207890:225301,Cc1c(-c2cc(OC3CCOCC3)ncc2F)cnn1CC12CC3CC(CC(C3)C1)C2,DVRXIVQCZLZYRP-UHFFFAOYSA-N
-rxn:4:207958:226844,CCC1CCC2(CC1)Oc1ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc1C1CC(c3ccccc3)=NN12,TYGGEOZVSIFGFD-UHFFFAOYSA-N
-rxn:4:207959:223179,CONC(=O)c1cc(-c2ccc3c(c2)C2CC(c4ccc(C)cc4)=NN2C(C2CCCCC2)O3)ccc1F,LPQFAMPPZWVOFM-UHFFFAOYSA-N
-rxn:4:207959:223185,Cc1ccc(C2=NN3C(C2)c2cc(-c4cnc(C5CNCCO5)nc4)ccc2OC3C2CCCCC2)cc1,KJBPUWYSRJPEAW-UHFFFAOYSA-N
-rxn:4:207959:226366,Cc1ccc(C2=NN3C(C2)c2cc(-c4ccnc(N5CCCCC5)c4)ccc2OC3C2CCCCC2)cc1,HAVNYAQECVIQHH-UHFFFAOYSA-N
-rxn:4:207965:223179,CONC(=O)c1cc(-c2ccc3c(c2)C2CC(c4ccc(OC)cc4)=NN2C2(CCC(C)CC2)O3)ccc1F,SKRVQMHGRXRWFC-UHFFFAOYSA-N
-rxn:4:207965:226844,COc1ccc(C2=NN3C(C2)c2cc(-c4ccnc(C(=O)C(F)(F)F)c4)ccc2OC32CCC(C)CC2)cc1,PMVNNYHQDQKVMM-UHFFFAOYSA-N
-rxn:4:207968:224323,Cc1cc(-c2ccc(C(=O)N3CCc4c5n(c6ccccc46)C(=O)CCC53)cc2)cc(C)c1S(=O)(=O)N1CCCC1,ZABZYZXOOUORHA-UHFFFAOYSA-N
-rxn:4:208816:223541,Cc1cc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC3(CC2)OCCO3)ncc1S(N)(=O)=O,LCTXEMSARHWAOY-UHFFFAOYSA-N
-rxn:4:209239:223520,CC(c1ccc(-c2cncc(C3=NCCC3)c2)cc1)N1CCN(C(=O)OC(C)(C)C)CC1,FZJITXUBYJLSCU-UHFFFAOYSA-N
-rxn:4:209239:223521,CC(c1cccc(-c2cncc(C3=NCCC3)c2)c1)N1CCN(C(=O)OC(C)(C)C)CC1,JMSMHVSDVKCJLP-UHFFFAOYSA-N
-rxn:4:210794:223687,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3ccc(C4CN5CCSC5=N4)cc3)cn2)CC1,NWGQMTFEEYPRJI-UHFFFAOYSA-N
-rxn:4:210975:222465,c1cc(N2CC3CCCC3C2)ncc1-c1cc(C2CCCCC2)nc(C2CCCNC2)c1,YCFGNGUKDNXRQB-UHFFFAOYSA-N
-rxn:4:211066:223606,N#Cc1cc2cc(-c3ccc(S(=O)(=O)N4CCC5(CC4)OCCO5)c(F)c3)cc3c2n(c1=O)CCC3,YRPOVPGPCQEBQK-UHFFFAOYSA-N
-rxn:4:211100:223114,CCCNC(=O)c1cccc(-c2ccc3c(c2)C2CC(c4ccc(Cl)cc4)=NN2C2(CCC(C)CC2)O3)c1,GNJNCSFRJGOXNY-UHFFFAOYSA-N
-rxn:4:211100:223179,CONC(=O)c1cc(-c2ccc3c(c2)C2CC(c4ccc(Cl)cc4)=NN2C2(CCC(C)CC2)O3)ccc1F,XVQBPKFMNKJTHO-UHFFFAOYSA-N
-rxn:4:211100:226844,CC1CCC2(CC1)Oc1ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc1C1CC(c3ccc(Cl)cc3)=NN12,GQOLPAKLFXDFOG-UHFFFAOYSA-N
-rxn:4:211101:223179,CONC(=O)c1cc(-c2ccc3c(c2)C2CC(c4ccc(C)cc4)=NN2C2(CCC(C)CC2)O3)ccc1F,YTRRWHVIRHZPMA-UHFFFAOYSA-N
-rxn:4:211101:226844,Cc1ccc(C2=NN3C(C2)c2cc(-c4ccnc(C(=O)C(F)(F)F)c4)ccc2OC32CCC(C)CC2)cc1,HYYRNLIYGOQYMC-UHFFFAOYSA-N
-rxn:4:212482:223670,CN1C(=O)COc2c1cnc1cc(F)c(-c3cccnc3N3CCN(C(=O)OC(C)(C)C)CC3)cc21,BBRHMHWUMIFPBQ-UHFFFAOYSA-N
-rxn:4:212551:224247,CC1CCN(C(=O)c2ccc(-c3cnc(OC4CCN(C(=O)OCc5ccccc5)C4)nc3)c(F)c2)CC1,MWQUNOKXUZJOTK-UHFFFAOYSA-N
-rxn:4:212564:222791,CC(C)(C)OC(=O)Nc1ccc(Cl)c(-c2cccc(C(=O)N3CCN=C3SCc3cccc([N+](=O)[O-])c3)c2)c1,NQFGMMWRRLOLNT-UHFFFAOYSA-N
-rxn:4:212564:223728,CCCCCC1CCC(c2ccc(-c3cccc(C(=O)N4CCN=C4SCc4cccc([N+](=O)[O-])c4)c3)c(F)c2)CC1,LWUPCZSHSVQKHP-UHFFFAOYSA-N
-rxn:4:212576:224721,Cc1nn(CC(=O)OC(C)(C)C)c(C)c1-c1cnn(CC2CN(C(=O)C(C)Oc3ccccc3)C2)c1,PFIFBHQHCKQQRO-UHFFFAOYSA-N
-rxn:4:212593:222967,CC(C)CNC(=O)c1cccc(-c2ccc(C(=O)N(C)C3CN(C(=O)OC(C)(C)C)C3)cn2)c1,WHVABOHSBHSHCK-UHFFFAOYSA-N
-rxn:4:212594:223179,CONC(=O)c1cc(-c2cnc(OC3CCN(C(=O)CSC4CCCC4)C3)nc2)ccc1F,YTBSFSWKLXBWIC-UHFFFAOYSA-N
-rxn:4:212605:223179,CONC(=O)c1cc(-c2cn(C)nc2OCC2CCN(C(=O)OC(C)(C)C)C2)ccc1F,BYYFGXQPXOKCRF-UHFFFAOYSA-N
-rxn:4:212606:226844,CC(C)CC(=O)N1CCCC(COc2ncc(-c3ccnc(C(=O)C(F)(F)F)c3)cn2)C1,DQBKJYJIGWWVQU-UHFFFAOYSA-N
-rxn:4:212607:223179,CCC(CC)C(=O)N1CCC(Oc2ncc(-c3ccc(F)c(C(=O)NOC)c3)cn2)CC1,DISZLEISLUMYTM-UHFFFAOYSA-N
-rxn:4:212608:223279,CC(=O)OC(C)(C)C(=O)N1CCCC(Oc2ncc(-c3cnc(C4CCCN4)nc3)cn2)C1,LQCMOGVETSDEPH-UHFFFAOYSA-N
-rxn:4:212618:223279,CC(C)(C)OC(=O)N1CCCC(COc2cnc(-c3cnc(C4CCCN4)nc3)cn2)C1,LXRGIEKNQRJHTJ-UHFFFAOYSA-N
-rxn:4:212619:222966,CC(C)(C)CNCc1cncc(-c2cnc(OCC3CCCN(C(=O)OC(C)(C)C)C3)nc2)c1,QDRNRSZQUYJFBY-UHFFFAOYSA-N
-rxn:4:212627:224279,CC(C)(C)OC(=O)n1cnc2cc(-c3ccc(S(=O)(=O)N4CCCC(COc5cc(C#N)ccn5)C4)cc3)ccc21,PSENTYUBPHZMRK-UHFFFAOYSA-N
-rxn:4:212629:223179,CONC(=O)c1cc(-c2cncc(C(=O)N3CCC(COc4cccc(C(F)(F)F)n4)CC3)c2)ccc1F,FKDDRQUSZBHQCU-UHFFFAOYSA-N
-rxn:4:212630:223179,CONC(=O)c1cc(-c2cncc(C(=O)N3CCCC(COc4ncccc4C(F)(F)F)C3)c2)ccc1F,FVXLUUFJTRWYTF-UHFFFAOYSA-N
-rxn:4:212634:223279,Cn1cc(-c2cnc(C3CCCN3)nc2)c(CN(C(=O)OC(C)(C)C)C2CCCC2)n1,JLQSPQFLKWHPAO-UHFFFAOYSA-N
-rxn:4:212639:223179,CONC(=O)c1cc(-c2cncc(CC(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)ccc1F,LIODXKLNEOFPBP-UHFFFAOYSA-N
-rxn:4:212646:223279,Cn1ncc(-c2cnc(C3CCCN3)nc2)c1CN(C(=O)OC(C)(C)C)C1CCOCC1,KXMFXAKTUBEGPP-UHFFFAOYSA-N
-rxn:4:212648:223179,CONC(=O)c1cc(-c2cn(C)nc2OCC2CCN(C(=O)OC(C)(C)C)CC2)ccc1F,YOOYTKCVOAOEEY-UHFFFAOYSA-N
-rxn:4:212648:226502,Cn1cc(-c2ccn(C(=O)OC(C)(C)C)c2)c(OCC2CCN(C(=O)OC(C)(C)C)CC2)n1,CFNZMBUBRRVLGO-UHFFFAOYSA-N
-rxn:4:212649:223279,CCC(C)(C)C(=O)N1CCCC(COc2ncc(-c3cnc(C4CCCN4)nc3)cn2)C1,BLXUJKVSFXKDGH-UHFFFAOYSA-N
-rxn:4:212650:222948,CC(C)(C)CC(=O)N1CCCC(COc2ncc(-c3cnc(N4CCC(O)CC4)nc3Cl)cn2)C1,NRMYJOSZOGPROH-UHFFFAOYSA-N
-rxn:4:212650:224718,CC(C)(C)CC(=O)N1CCCC(COc2ncc(-c3ccc(OCCN4CCOCC4)nc3)cn2)C1,KZQJXGLFJLGPFB-UHFFFAOYSA-N
-rxn:4:212650:226844,CC(C)(C)CC(=O)N1CCCC(COc2ncc(-c3ccnc(C(=O)C(F)(F)F)c3)cn2)C1,LYOHZARZAURDJD-UHFFFAOYSA-N
-rxn:4:212651:224598,COc1cc(N2CCC(C)CC2)ccc1-c1ccc([N+](=O)[O-])cc1CN1CCN(C(=O)OC(C)(C)C)CC1,GZDXVTXQQAMRLO-UHFFFAOYSA-N
-rxn:4:212652:223179,CONC(=O)c1cc(-c2cc(C(=O)OC)cc(N3CCN(C(=O)OC(C)(C)C)CC3)n2)ccc1F,VRGXDPCQFPHVCI-UHFFFAOYSA-N
-rxn:4:212653:223179,CONC(=O)c1cc(-c2nc(C(=O)OC)ccc2N2CCN(C(=O)OC(C)(C)C)CC2)ccc1F,FHVFGVYLIVKSMX-UHFFFAOYSA-N
-rxn:4:212656:223179,CONC(=O)c1cc(-c2cc(C(=O)OC)cnc2N2CCN(C(=O)OC(C)(C)C)CC2)ccc1F,GBSOWMVBSYWTGW-UHFFFAOYSA-N
-rxn:4:212658:223279,COC(=O)c1ncc(-c2cnc(C3CCCN3)nc2)cc1N1CCN(C(=O)OC(C)(C)C)CC1,PVWPJZQPCOIRQO-UHFFFAOYSA-N
-rxn:4:212658:226844,COC(=O)c1ncc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1N1CCN(C(=O)OC(C)(C)C)CC1,MLXUHTJYIFOMIA-UHFFFAOYSA-N
-rxn:4:212661:224737,COc1ccc(CN2CCC(COc3ncc(-c4ccc(OCC(C)C)cc4C(F)(F)F)cn3)CC2)cc1,OTHDULFQIZRYFF-UHFFFAOYSA-N
-rxn:4:212663:223279,COC(=O)c1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1-c1cnc(C2CCCN2)nc1,RQGPLSWWAMGNCI-UHFFFAOYSA-N
-rxn:4:212665:222819,COc1ccccc1S(=O)(=O)N1CCCC(COc2ncc(-c3ccc(NC(=O)N4CCOCC4)nc3)cn2)C1,CGRWGHCGRUYYHC-UHFFFAOYSA-N
-rxn:4:212675:223179,CONC(=O)c1cc(-c2cc([N+](=O)[O-])c(OC)cc2N2CCN(C(=O)OC(C)(C)C)CC2)ccc1F,XDGARHJXXBSXLO-UHFFFAOYSA-N
-rxn:4:212692:223179,CONC(=O)c1cc(-c2cncc(CC(=O)N3CCN(C(=O)OC(C)(C)C)C(C)C3)c2)ccc1F,SRMAADHFCONKNB-UHFFFAOYSA-N
-rxn:4:212692:223181,CCNS(=O)(=O)c1cccc(-c2cncc(CC(=O)N3CCN(C(=O)OC(C)(C)C)C(C)C3)c2)c1,NYMIKSZYSITPBO-UHFFFAOYSA-N
-rxn:4:212693:223179,CONC(=O)c1cc(-c2cncc(CC(=O)N3CCN(C(=O)OC(C)(C)C)CC3C)c2)ccc1F,RAAZDGAVSWXJEL-UHFFFAOYSA-N
-rxn:4:212693:223279,CC1CN(C(=O)OC(C)(C)C)CCN1C(=O)Cc1cncc(-c2cnc(C3CCCN3)nc2)c1,CVTRZZUBOWIWMD-UHFFFAOYSA-N
-rxn:4:212693:224632,COc1ccc(Oc2ccc(-c3cncc(CC(=O)N4CCN(C(=O)OC(C)(C)C)CC4C)c3)cn2)cc1,WKCKWDSAVVTLCW-UHFFFAOYSA-N
-rxn:4:212694:223179,COCCN1C(=O)CN(C2CCN(C(=O)c3ccccc3-c3ccc(F)c(C(=O)NOC)c3)CC2)C1=O,DQYQHLICNYUTTJ-UHFFFAOYSA-N
-rxn:4:212710:225975,Cc1ncnc(OCC2CCN(C(=O)Cc3ccc(-c4ccnc(N5CCOCC5)c4Cl)cc3)CC2)c1C,FGEAYTSPEGNVHP-UHFFFAOYSA-N
-rxn:4:212720:223179,CONC(=O)c1cc(-c2ccc(C(=O)N(C)C3CCCN(C(=O)OC(C)(C)C)CC3)cn2)ccc1F,NQJKQHXNSQTDFZ-UHFFFAOYSA-N
-rxn:4:212720:227330,COC(=O)c1ccc(-c2ccc(C(=O)N(C)C3CCCN(C(=O)OC(C)(C)C)CC3)cn2)c(C)c1,GPZKBFCBNBQAGG-UHFFFAOYSA-N
-rxn:4:212728:225010,COc1cc(OC)cc(-c2noc(C3CCN(S(=O)(=O)c4ccc(-c5ccc(F)c(CN6CCCCC6)c5)cc4)CC3)n2)c1,PMIVRJGOUAQVGJ-UHFFFAOYSA-N
-rxn:4:212736:222742,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cc(C4CCNCC4)nc(C4CC4)c3)cc2N2CCCC2)CC1,MCEXPTAQOVYABS-UHFFFAOYSA-N
-rxn:4:212737:224921,Cc1ccc(-c2ccc(-c3cc(CN4CCOCC4)cc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)cc2F)cc1,IOXYJMPXHKWNJJ-UHFFFAOYSA-N
-rxn:4:212738:223179,CONC(=O)c1cc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)c(N3CCOCC3)c2)ccc1F,KSKYTTBTOITJPD-UHFFFAOYSA-N
-rxn:4:212738:226844,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2N2CCOCC2)CC1,MUNXZPGYYZOACN-UHFFFAOYSA-N
-rxn:4:212739:223179,CONC(=O)c1cc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)c(N3CCCCC3)c2)ccc1F,JGAZIIXAVRZNIW-UHFFFAOYSA-N
-rxn:4:212739:226844,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2N2CCCCC2)CC1,XDJKDCHASUXYLB-UHFFFAOYSA-N
-rxn:4:212741:226844,CC1CN(Cc2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2N2CCCC2)CCN1C(=O)OC(C)(C)C,FKGBUIJPZZROAK-UHFFFAOYSA-N
-rxn:4:212742:223179,CONC(=O)c1cc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3C)c(N3CCCC3)c2)ccc1F,ZXCOJVJDSXVTBP-UHFFFAOYSA-N
-rxn:4:212744:226844,CC(C)(C)OC(=O)N1CCN(c2cc(CN3CCC(F)(F)CC3)cc(-c3ccnc(C(=O)C(F)(F)F)c3)c2)CC1,BNSKSQUNCYBNEW-UHFFFAOYSA-N
-rxn:4:212747:226844,CC1CN(C(=O)OC(C)(C)C)CCN1Cc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1N1CCOCC1,NYJYWFQRWVIWSL-UHFFFAOYSA-N
-rxn:4:212748:226844,CC1CN(c2cc(CN3CCCCC3)cc(-c3ccnc(C(=O)C(F)(F)F)c3)c2)CCN1C(=O)OC(C)(C)C,ADHHLEDEUZLZDE-UHFFFAOYSA-N
-rxn:4:212749:226844,CC1CN(Cc2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2N2CCCCC2)CCN1C(=O)OC(C)(C)C,QYQXPZVLZCVUAB-UHFFFAOYSA-N
-rxn:4:212750:223279,CC1CN(C(=O)OC(C)(C)C)CCN1Cc1ccc(-c2cnc(C3CCCN3)nc2)cc1N1CCCCC1,OPJKRKANXZBCHI-UHFFFAOYSA-N
-rxn:4:212750:226844,CC1CN(C(=O)OC(C)(C)C)CCN1Cc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1N1CCCCC1,ZMJBSJWTQBEWIK-UHFFFAOYSA-N
-rxn:4:212758:223834,Cc1cc(-c2ccc3nc(N(CCN(C)C)C(=O)c4ccco4)sc3c2)cc(C)c1S(=O)(=O)N1CCN(C)CC1,PPZCXMSKPLVRAO-UHFFFAOYSA-N
-rxn:4:212769:223179,CCOC(=O)c1nc2n(c1-c1ccc(F)c(C(=O)NOC)c1)CCN(C(=O)OC(C)(C)C)C2,VZPIDMPSCYZGRB-UHFFFAOYSA-N
-rxn:4:212769:223279,CCOC(=O)c1nc2n(c1-c1cnc(C3CCCN3)nc1)CCN(C(=O)OC(C)(C)C)C2,XBPDDNQYWORTFI-UHFFFAOYSA-N
-rxn:4:212769:226844,CCOC(=O)c1nc2n(c1-c1ccnc(C(=O)C(F)(F)F)c1)CCN(C(=O)OC(C)(C)C)C2,IJOGOFMLXCKBBY-UHFFFAOYSA-N
-rxn:4:212775:223179,COCCn1c(=NC(=O)CN2C(=O)CCC2=O)sc2cc(-c3ccc(F)c(C(=O)NOC)c3)ccc21,NKTJAWJFEDEHQZ-UHFFFAOYSA-N
-rxn:4:212778:223179,CONC(=O)c1cc(-c2ccc3c(c2)sc(=NC(=O)CSCC(=O)N2CCCC2)n3C)ccc1F,IDBDWBBSUTWKJQ-UHFFFAOYSA-N
-rxn:4:212779:223569,COC(=O)CS(=O)(=O)c1nnc(-c2cnc3c(ccn3[Si](C(C)C)(C(C)C)C(C)C)c2F)n1-c1ccc(C2CC2)c2ccccc12,XPOLJGFDLWZNHT-UHFFFAOYSA-N
-rxn:4:212783:223179,CCOC(=O)N1CCN(C(=O)Cn2ccc3ccc(-c4ccc(F)c(C(=O)NOC)c4)cc32)CC1,WDWXDMIALSEBKA-UHFFFAOYSA-N
-rxn:4:212786:222447,COCCn1c(=NC(=O)c2cccc(-c3c(OC)ccc4c3N=C(NC(=O)OC(C)(C)C)C4)c2)sc2cc(S(N)(=O)=O)ccc21,UQSNSNTUNOFGPD-UHFFFAOYSA-N
-rxn:4:212791:223179,CCOC(=O)c1nn2c(c1-c1ccc(F)c(C(=O)NOC)c1)CN(C(=O)OC(C)(C)C)CCC2,RJRPGFIWDHCEKX-UHFFFAOYSA-N
-rxn:4:212791:223279,CCOC(=O)c1nn2c(c1-c1cnc(C3CCCN3)nc1)CN(C(=O)OC(C)(C)C)CCC2,NYAOYEWTGWDFKN-UHFFFAOYSA-N
-rxn:4:212806:223179,COCCn1c(=NC(=O)c2ccc(N3C(=O)CCC3=O)cc2)sc2cc(-c3ccc(F)c(C(=O)NOC)c3)ccc21,AOKRKTJCGJSBDK-UHFFFAOYSA-N
-rxn:4:212814:223122,CC(C)C(=O)Nc1cccc(-c2c3c(nn2C(=O)OC(C)(C)C)C(C)(C)N(C(=O)OC(C)(C)C)C3)c1,DHYABJMLNYABLB-UHFFFAOYSA-N
-rxn:4:212814:223279,CC(C)(C)OC(=O)N1Cc2c(nn(C(=O)OC(C)(C)C)c2-c2cnc(C3CCCN3)nc2)C1(C)C,WFTYKTGCRVFMJC-UHFFFAOYSA-N
-rxn:4:212814:227239,COC(=O)Cc1ccc(-c2c3c(nn2C(=O)OC(C)(C)C)C(C)(C)N(C(=O)OC(C)(C)C)C3)cc1,SGMCEGKUVVXRCE-UHFFFAOYSA-N
-rxn:4:212823:222628,COc1ccc(S(=O)(=O)N2CCN(C(=O)Cn3ccc4cc(-c5cc(C6CCC6)nc(C6CCCNC6)c5)ccc43)CC2)cc1,IACRADKRSIBVAZ-UHFFFAOYSA-N
-rxn:4:212828:223179,CONC(=O)c1cc(-c2ccc(OC)cc2C(=O)N(Cc2nn(C)c3c2CCC3)C2CCCC2)ccc1F,STKKECFVHMVHQT-UHFFFAOYSA-N
-rxn:4:212829:223179,CONC(=O)c1cc(-c2ccc3[nH]c(C(=O)N(C)C4CCN(C(=O)OC(C)(C)C)CC4)cc3c2)ccc1F,CNZNTGWAWAJOGW-UHFFFAOYSA-N
-rxn:4:212831:223179,CONC(=O)c1cc(-c2ccc3c(c2)C(c2ccccc2)N(CC(=O)OC)C(CN2CCOCC2)=N3)ccc1F,DGGHCJZQWXWMQD-UHFFFAOYSA-N
-rxn:4:212831:226844,COC(=O)CN1C(CN2CCOCC2)=Nc2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2C1c1ccccc1,KZKCYFNIRCZVJL-UHFFFAOYSA-N
-rxn:4:212832:223279,CCC1CCCCN1C(=O)CSc1nc2c(c(=O)n1-c1ccc(-c3cnc(C4CCCN4)nc3)cc1)SCC2,BXLMASNOQLHSNZ-UHFFFAOYSA-N
-rxn:4:212832:226844,CCC1CCCCN1C(=O)CSc1nc2c(c(=O)n1-c1ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc1)SCC2,DAUAOOBDQSUJIY-UHFFFAOYSA-N
-rxn:4:212832:227676,CCC1CCCCN1C(=O)CSc1nc2c(c(=O)n1-c1ccc(-c3cc(C)c(Cl)c(OC)c3F)cc1)SCC2,GJVZXEBIMZJSEJ-UHFFFAOYSA-N
-rxn:4:212839:226844,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4ccnc(C(=O)C(F)(F)F)c4)ccn23)CC1,JARRLQBOQQGHDW-UHFFFAOYSA-N
-rxn:4:212843:226844,CN1CCN(c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)c3c2C[C@H](N(Cc2ccccc2)Cc2ccccc2)CC3)CC1,RQFDHQOQEJGIDF-GDLZYMKVSA-N
-rxn:4:212848:223179,CONC(=O)c1cc(-c2ccc3c4c(n(C(=O)OC(C)(C)C)c3n2)CCN(C(=O)OC(C)(C)C)C4)ccc1F,KSVYCXUHPRIBMD-UHFFFAOYSA-N
-rxn:4:212848:226844,CC(C)(C)OC(=O)N1CCc2c(c3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)nc3n2C(=O)OC(C)(C)C)C1,KFBNQXFZIYQJQQ-UHFFFAOYSA-N
-rxn:4:212849:223179,CONC(=O)c1cc(-c2ccccc2C(=O)N(Cc2ccccc2)c2nnc(C34CC5CC(CC(C5)C3)C4)s2)ccc1F,MJWXOWXARAAYSH-UHFFFAOYSA-N
-rxn:4:212892:222584,CC(C)(C)OC(=O)N(c1ncc(-c2ccc(OCCCN3CCNCC3)c(F)c2)cn1)C1CC1,CXJJIJWLHILZEG-UHFFFAOYSA-N
-rxn:4:212943:223279,CCOC(=O)N1CCN(c2ncc(-c3cnc(C4CCCN4)nc3)cc2C(F)(F)F)CC1,ZPVTVOYLCQBHHK-UHFFFAOYSA-N
-rxn:4:212944:223279,CCOC(=O)N1CCN(c2ncc(C(F)(F)F)cc2-c2cnc(C3CCCN3)nc2)CC1,VVVHMRPYIPKNKB-UHFFFAOYSA-N
-rxn:4:212973:223179,CONC(=O)c1cc(-c2cccnc2OC2CCN(C(=O)CN3CCOC3=O)C2)ccc1F,FTGXWNJJDIMSAJ-UHFFFAOYSA-N
-rxn:4:212987:224292,CCOC(=O)c1c(-c2ccc(S(=O)(=O)OCC(C)(C)C)c(C)c2)c(CN2CCCCC2)nn1C,NPYMCXNMBQWUGJ-UHFFFAOYSA-N
-rxn:4:212988:223669,CC(C)(C)OC(=O)N1CCN(C(=O)c2csc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)nc3)n2)CC1,YXXSMICFRPEMJV-UHFFFAOYSA-N
-rxn:4:213038:223179,CONC(=O)c1cc(-c2c[nH]c(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)ccc1F,VOQQEDRSQJKPHD-UHFFFAOYSA-N
-rxn:4:213040:223179,CONC(=O)c1cc(-c2cnc(OC3CCN(C(=O)OC(C)(C)C)C3)c(C)n2)ccc1F,YPIKOOQEWMLOTN-UHFFFAOYSA-N
-rxn:4:213041:222693,CC(C)(C)OC(=O)N1CCC(Oc2cnc(-c3ccc(S(=O)(=O)NC4CCCCC4)cc3)cn2)CC1,FVZVFRVMIFFHQC-UHFFFAOYSA-N
-rxn:4:213044:223179,CONC(=O)c1cc(-c2cnc(OC3CCN(C(=O)OC(C)(C)C)CC3)nc2)ccc1F,OLPKWDRAALQJAI-UHFFFAOYSA-N
-rxn:4:213045:223179,CONC(=O)c1cc(-c2cnc(OCC3CCCN(C(=O)C4CCC4)C3)nc2)ccc1F,UNTCHNXDLNSBGM-UHFFFAOYSA-N
-rxn:4:213053:223179,CONC(=O)c1cc(-c2cnc(OCC3CCCN(C(=O)C4CC(F)(F)C4)C3)nc2)ccc1F,YNPFESVCOISIFX-UHFFFAOYSA-N
-rxn:4:213061:224686,N#Cc1cccnc1OC1CCN(S(=O)(=O)c2ccc(-c3ccc(C(=O)N4CCCCC4)cc3F)cc2)CC1,LQIOEMRAOJWSEN-UHFFFAOYSA-N
-rxn:4:213076:223557,CC(C)N(C(C)C)S(=O)(=O)c1ccc(-n2cc(-c3c(F)ccc4c3ccn4[Si](C(C)C)(C(C)C)C(C)C)cn2)cc1,ZSNSDZYYAARPNB-UHFFFAOYSA-N
-rxn:4:213076:224280,CC(C)N(C(C)C)S(=O)(=O)c1ccc(-n2cc(-c3cc4c(s3)CCN(C(=O)OC(C)(C)C)C4)cn2)cc1,NZFCKHPKJXPEOB-UHFFFAOYSA-N
-rxn:4:213078:222430,CC(C)(C)OC(=O)N1CCC(n2ncc(-c3ccc(S(=O)(=O)Nc4ccc(OC(F)(F)F)cc4)cc3)c2C(F)F)CC1,YGGBITZXXFXQRN-UHFFFAOYSA-N
-rxn:4:213080:223179,CONC(=O)c1cc(-c2cncc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)ccc1F,AUNTXDRLFGQFFN-UHFFFAOYSA-N
-rxn:4:213081:223179,CONC(=O)c1cc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c(C#N)c2)ccc1F,UAAXDBDQCBSQJP-UHFFFAOYSA-N
-rxn:4:213088:223279,CC(C)(C)OC(=O)N1CCN(c2cccc(-c3cnc(C4CCCN4)nc3)c2C#N)CC1,OHEKILMLTFUIAA-UHFFFAOYSA-N
-rxn:4:213092:223279,CC(C)(C)OC(=O)N1CCN(c2ccc(C#N)c(-c3cnc(C4CCCN4)nc3)c2)CC1,YPSCZNJXOAGINU-UHFFFAOYSA-N
-rxn:4:213092:225522,CCCCOc1cc(OC)cc(-c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)ccc2C#N)c1,OYUFYZLQKFSIKX-UHFFFAOYSA-N
-rxn:4:213093:223179,CONC(=O)c1cc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2C#N)ccc1F,RENQUINKVMKHBO-UHFFFAOYSA-N
-rxn:4:213094:222537,CC(C)(C)OC(=O)N1CCN(c2c(C#N)cccc2-c2cc(C3CCCC3)nc(C3CCCNC3)c2)CC1,CIOVOJUSSSQZCZ-UHFFFAOYSA-N
-rxn:4:213097:223131,CC(C)(C)OC(=O)N1CCC(C#N)(c2ccc(-c3ccc(N4CCNCC4)cc3)cn2)CC1,RNJIRWPEPMQJDT-UHFFFAOYSA-N
-rxn:4:213097:223132,CC(C)(C)OC(=O)N1CCC(C#N)(c2ccc(-c3cccc(N4CCNCC4)c3)cn2)CC1,JUNOVOUUXMXWPA-UHFFFAOYSA-N
-rxn:4:213097:223133,CC(C)(C)OC(=O)N1CCC(C#N)(c2ccc(-c3ccccc3N3CCNCC3)cn2)CC1,DOBWKFZOJMQOOC-UHFFFAOYSA-N
-rxn:4:213097:223167,CC(C)(C)OC(=O)N1CCC(C#N)(c2ccc(-c3ccnc(N4CCNCC4)c3)cn2)CC1,QAKKKXDCJYYDQS-UHFFFAOYSA-N
-rxn:4:213097:223168,CC(C)(C)OC(=O)N1CCC(C#N)(c2ccc(-c3cccnc3N3CCNCC3)cn2)CC1,YIFGEABDQPWCRV-UHFFFAOYSA-N
-rxn:4:213097:223179,CONC(=O)c1cc(-c2ccc(C3(C#N)CCN(C(=O)OC(C)(C)C)CC3)nc2)ccc1F,FHGWXZPPYOFBDY-UHFFFAOYSA-N
-rxn:4:213099:223279,CC(C)(C)OC(=O)N1CCC(n2ncc(-c3cnc(C4CCCN4)nc3)c2C(F)(F)F)CC1,DFKMQWJAHHVEHC-UHFFFAOYSA-N
-rxn:4:213100:223279,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cnc(C4CCCN4)nc3)c(C(F)(F)F)n2)CC1,KSNFAWMZOHITGW-UHFFFAOYSA-N
-rxn:4:213104:223179,CONC(=O)c1cc(-c2cccnc2OC2CCN(C(=O)CN3C(=O)CCC3=O)CC2)ccc1F,WXKDIRKDIINXGK-UHFFFAOYSA-N
-rxn:4:213107:224489,COc1ccc(C(=O)N2CCCC(Oc3ncc(-c4cc(F)ccc4CN(C(C)C)C(C)C)cn3)C2)cc1,JEWOWBGTGQMSKC-UHFFFAOYSA-N
-rxn:4:213123:223165,CC(=O)Nc1ccc(-c2ccccc2CC(=O)N2CCN(c3ccnc(C(F)(F)F)c3)C(=O)C2)c(Cl)c1C,YSUGCNXDRFZSKC-UHFFFAOYSA-N
-rxn:4:213124:224587,CC(C)CN(c1ncc(-c2ccc(CN3CCC(C)CC3)c(F)c2)cc1[N+](=O)[O-])C1CCCCC1,KUTVRRBNAFIJRW-UHFFFAOYSA-N
-rxn:4:213127:226844,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3ccnc(C(=O)C(F)(F)F)c3)ccn2)CC1,SGROTPINWCEICX-UHFFFAOYSA-N
-rxn:4:213128:223279,COc1nc(-c2cnc(C3CCCN3)nc2)cn1C1CCCN(C(=O)OC(C)(C)C)C1,YHSVRJDOUHHDDO-UHFFFAOYSA-N
-rxn:4:213129:223279,COc1nc(-c2cnc(C3CCCN3)nc2)cn1C1CCN(C(=O)OC(C)(C)C)CC1,VHWXPMYCQBLOKS-UHFFFAOYSA-N
-rxn:4:213135:225898,CC(C)(C)CC(=O)N1CCC(Oc2ncc(-c3cnn(CCN4CCOCC4)c3)cn2)CC1,ZZJUATKQQNNGBU-UHFFFAOYSA-N
-rxn:4:213136:225389,CCC(C)c1cc(-c2cnc(OCC3CCCN(CC4CCCO4)C3)nc2)cc(C2CC2)c1,PFFCBWFRWNARCS-UHFFFAOYSA-N
-rxn:4:213137:223179,CCOC(=O)c1nc(N2CCN(C(C)C)CC2)ccc1-c1ccc(F)c(C(=O)NOC)c1,DRQDAJSHHLSRNG-UHFFFAOYSA-N
-rxn:4:213142:223279,CC(C)(C)OC(=O)N1CCN(c2cccc(-c3cnc(C4CCCN4)nc3)c2[N+](=O)[O-])CC1,AIJIPTYDBKAASN-UHFFFAOYSA-N
-rxn:4:213143:223179,CONC(=O)c1cc(-c2ccc([N+](=O)[O-])c(N3CCN(C(=O)OC(C)(C)C)CC3)c2)ccc1F,XYKIPSFVDOAEEJ-UHFFFAOYSA-N
-rxn:4:213150:225803,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(-c3ccnc(OC4CCOCC4)c3)cn2)CC1,ZPOOQFHWTCTOTG-UHFFFAOYSA-N
-rxn:4:213151:223179,CONC(=O)c1cc(-c2cc(F)c([N+](=O)[O-])c(N3CCN(C(=O)OC(C)(C)C)CC3)c2)ccc1F,ZIRXLKAJALKIQH-UHFFFAOYSA-N
-rxn:4:213151:223279,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cnc(C4CCCN4)nc3)cc(F)c2[N+](=O)[O-])CC1,MCGIRURCPNGLOU-UHFFFAOYSA-N
-rxn:4:213163:223279,O=C(C1CCCC1)N1CCC(COc2ncc(-c3cnc(C4CCCN4)nc3)cn2)CC1,FWMJMQAKNFJGCU-UHFFFAOYSA-N
-rxn:4:213164:223219,CC(C)NCc1cncc(-c2cnc(OCC3CCCN(C(=O)C4CCCC4)C3)nc2)c1,IFDVJQOQHUZMOY-UHFFFAOYSA-N
-rxn:4:213173:224125,O=C(c1ccccc1-c1ccc(CN2CCN(C3CC3)CC2)cc1)N1CCCC(Cc2nc(C3CC3)no2)C1,MTYSYCLKWLPJQF-UHFFFAOYSA-N
-rxn:4:213176:223812,Cc1cccnc1OCC1CCN(C(=O)c2cncc(-c3cc(F)cc(CN4CCC5(CC4)OCCO5)c3)c2)CC1,QRQILGUHDUZEEA-UHFFFAOYSA-N
-rxn:4:213192:224658,CC(=O)N1CCN(c2ccc(-c3cc(C(=O)OC(C)(C)C)cc(N4CCN(C(C)=O)CC4)n3)cc2)CC1,VLJBEQGLJCTGKZ-UHFFFAOYSA-N
-rxn:4:213197:223179,CCOC(=O)N1CCN(C2CC(=O)N(c3ccc(-c4ccc(F)c(C(=O)NOC)c4)cc3)C2=O)CC1,FWQZBJDDLHHYDV-UHFFFAOYSA-N
-rxn:4:213197:223279,CCOC(=O)N1CCN(C2CC(=O)N(c3ccc(-c4cnc(C5CCCN5)nc4)cc3)C2=O)CC1,YFDWDGQKXIQUDJ-UHFFFAOYSA-N
-rxn:4:213203:224593,Cc1ccc(OCC2CCN(S(=O)(=O)c3ccc(-c4ccc(F)c(CN5CCC(C)CC5)c4)cc3)CC2)nn1,UONSNALFOMZMKQ-UHFFFAOYSA-N
-rxn:4:213205:224376,Cc1cnc(OCC2CCCN(S(=O)(=O)c3ccc(-c4cccc(S(=O)(=O)N5CCN(C)CC5)c4)cc3)C2)nc1,TYPGVWJTTFKEFB-UHFFFAOYSA-N
-rxn:4:213213:223179,CONC(=O)c1cc(-c2cccc(N(C)C3CCN(C(=O)OC(C)(C)C)CC3)n2)ccc1F,SGGASLSAGXEZGQ-UHFFFAOYSA-N
-rxn:4:213215:226844,O=C(c1cc(-c2cnc(OCC3CCN(CC4CCOCC4)CC3)nc2)ccn1)C(F)(F)F,NLGYRILENLAQIA-UHFFFAOYSA-N
-rxn:4:213217:223179,CCN1CCN(c2ncc(-c3ccc(F)c(C(=O)NOC)c3)cc2C(=O)OC(C)(C)C)CC1,MGKNPGJTGAUUMI-UHFFFAOYSA-N
-rxn:4:213217:226844,CCN1CCN(c2ncc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2C(=O)OC(C)(C)C)CC1,RENCIBCOJJOOCW-UHFFFAOYSA-N
-rxn:4:213218:226844,C[C@H]1CN(Cc2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cn2)CCN1C(=O)OC(C)(C)C,UXIIZWOXVBJBEL-HNNXBMFYSA-N
-rxn:4:213219:223179,CCN1CCN(c2ccc(-c3ccc(F)c(C(=O)NOC)c3)c(C(=O)OC(C)(C)C)n2)CC1,JHIUTNVJWPIAEC-UHFFFAOYSA-N
-rxn:4:213219:223279,CCN1CCN(c2ccc(-c3cnc(C4CCCN4)nc3)c(C(=O)OC(C)(C)C)n2)CC1,YACIXEVVGKXVFE-UHFFFAOYSA-N
-rxn:4:213219:226844,CCN1CCN(c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)c(C(=O)OC(C)(C)C)n2)CC1,KIYVDELXFSKZFA-UHFFFAOYSA-N
-rxn:4:213221:223279,CC1CN(C(=O)OC(C)(C)C)CCN1c1ccc(-c2cnc(C3CCCN3)nc2)cc1[N+](=O)[O-],KXRZDRXVZPGWGN-UHFFFAOYSA-N
-rxn:4:213229:226844,CC1CN(c2cc(-c3ccnc(C(=O)C(F)(F)F)c3)cc(F)c2[N+](=O)[O-])CCN1C(=O)OC(C)(C)C,YYMNJWZOHHDDTP-UHFFFAOYSA-N
-rxn:4:213230:223179,CONC(=O)c1cc(-c2cc(F)c([N+](=O)[O-])c(N3CCN(C(=O)OC(C)(C)C)CC3C)c2)ccc1F,UHWFLTJBVGJULF-UHFFFAOYSA-N
-rxn:4:213237:224991,CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1c1ncc(-c2ccc(-c3cc(C4CC4)nc(N4CCCC4)c3)cc2)[nH]1,MYUDAMVFXXAAHM-VWLOTQADSA-N
-rxn:4:213253:223179,CONC(=O)c1cc(-c2cnccc2OC2CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)C2)ccc1F,IZUXZFTYGDIWAE-UHFFFAOYSA-N
-rxn:4:213253:223279,CS(=O)(=O)N1CCC(C(=O)N2CCC(Oc3ccncc3-c3cnc(C4CCCN4)nc3)C2)CC1,YFHJWZBYMDYWKK-UHFFFAOYSA-N
-rxn:4:213253:224949,COc1ccc(-c2cnccc2OC2CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)C2)cc1CN1CCCC1,QJDDLFMDPDKHDW-UHFFFAOYSA-N
-rxn:4:213257:223279,Cc1nn(CC2CCN(C(=O)OC(C)(C)C)CC2)c(C)c1-c1cnc(C2CCCN2)nc1,VCYZJOAGCPSUCJ-UHFFFAOYSA-N
-rxn:4:213257:226844,Cc1nn(CC2CCN(C(=O)OC(C)(C)C)CC2)c(C)c1-c1ccnc(C(=O)C(F)(F)F)c1,ZINWLPSBGAYWGR-UHFFFAOYSA-N
-rxn:4:213258:223179,CONC(=O)c1cc(-c2c(C)nn(CC3CCCN(C(=O)OC(C)(C)C)C3)c2C)ccc1F,OIOBPRPJMVZUSN-UHFFFAOYSA-N
-rxn:4:213258:226844,Cc1nn(CC2CCCN(C(=O)OC(C)(C)C)C2)c(C)c1-c1ccnc(C(=O)C(F)(F)F)c1,RXSGZBITPRQHOZ-UHFFFAOYSA-N
-rxn:4:213261:223179,CONC(=O)c1cc(-c2ccc(CN3CCN(CC(F)(F)F)CC3)c(N3CCOCC3)c2)ccc1F,WPEGLIZUNLNJDS-UHFFFAOYSA-N
-rxn:4:213266:226844,CC(C)N1CCN(c2cc(C(=O)OC(C)(C)C)cc(-c3ccnc(C(=O)C(F)(F)F)c3)n2)CC1,UCDIYJRHQGEJLU-UHFFFAOYSA-N
-rxn:4:213267:223179,CONC(=O)c1cc(-c2ccc(N3CCN(C(C)C)CC3)nc2C(=O)OC(C)(C)C)ccc1F,CJNRREMGLLYCLG-UHFFFAOYSA-N
-rxn:4:213267:223279,CC(C)N1CCN(c2ccc(-c3cnc(C4CCCN4)nc3)c(C(=O)OC(C)(C)C)n2)CC1,ZCUQMFBHHIGIMA-UHFFFAOYSA-N
-rxn:4:213269:223179,CONC(=O)c1cc(-c2ccc(OC)cc2C(=O)N2CCC(n3nc(C4CC4)ccc3=O)CC2)ccc1F,AMKFVAQZEJUQCP-UHFFFAOYSA-N
-rxn:4:213271:223179,CONC(=O)c1cc(-c2ccc(OC)cc2C(=O)N2CCC(N3CC(=O)N(C4CC4)C3=O)CC2)ccc1F,DYKVMQMYSONIBZ-UHFFFAOYSA-N
-rxn:4:213273:223179,CONC(=O)c1cc(-c2cnccc2OC2CCN(C(=O)c3ccc(N4CCOCC4)cc3)C2)ccc1F,ONLFVBDFKVZIPE-UHFFFAOYSA-N
-rxn:4:213281:223179,CONC(=O)c1cc(-c2cccnc2OC2CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)CC2)ccc1F,GNRUYJDNWKEYPP-UHFFFAOYSA-N
-rxn:4:213281:223279,CS(=O)(=O)N1CCC(C(=O)N2CCC(Oc3ncccc3-c3cnc(C4CCCN4)nc3)CC2)CC1,JHHKYTGWLHCNIW-UHFFFAOYSA-N
-rxn:4:213281:226929,Cc1ccc(-c2cccnc2OC2CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)CC2)c2cccnc12,ZYZSQSQPBNAQPB-UHFFFAOYSA-N
-rxn:4:213281:227154,Cc1c2ccc(-c3cccnc3OC3CCN(C(=O)C4CCN(S(C)(=O)=O)CC4)CC3)cc2nn1C,KFXCBGVIIAVQNX-UHFFFAOYSA-N
-rxn:4:213281:227160,Cc1c2cccc(-c3cccnc3OC3CCN(C(=O)C4CCN(S(C)(=O)=O)CC4)CC3)c2nn1C,HJNHZDIQTGGCEX-UHFFFAOYSA-N
-rxn:4:213281:227161,Cc1c2cc(-c3cccnc3OC3CCN(C(=O)C4CCN(S(C)(=O)=O)CC4)CC3)ccc2nn1C,VPGCQKLSVUKKFZ-UHFFFAOYSA-N
-rxn:4:213289:223179,CONC(=O)c1cc(-c2cnc(C(C)(C)C)nc2C2CCN(C(=O)OC(C)(C)C)CC2)ccc1F,NZQWTUNGXWZCJM-UHFFFAOYSA-N
-rxn:4:213289:226844,CC(C)(C)OC(=O)N1CCC(c2nc(C(C)(C)C)ncc2-c2ccnc(C(=O)C(F)(F)F)c2)CC1,FTBHNNVBNWSINE-UHFFFAOYSA-N
-rxn:4:213320:223279,COC(=O)c1nc(-c2cnc(C3CCCN3)nc2)n2c1CN(C(=O)OC(C)(C)C)CC2,ZKJWBLRVHYTQNS-UHFFFAOYSA-N
-rxn:4:213336:223179,CONC(=O)c1cc(-c2nc(C(=O)OC)c3n2CCN(C(=O)OC(C)(C)C)CC3)ccc1F,DMABSJHNZKTNJL-UHFFFAOYSA-N
-rxn:4:213336:223279,COC(=O)c1nc(-c2cnc(C3CCCN3)nc2)n2c1CCN(C(=O)OC(C)(C)C)CC2,DFDTZNSZZGDFKM-UHFFFAOYSA-N
-rxn:4:213337:222871,CCCCC(=O)N1CCN(c2nc3ccc(-c4ccc(C(=O)NCC(C)C)c(Cl)c4)cc3s2)CC1,NWLZECIPYIMBCF-UHFFFAOYSA-N
-rxn:4:213349:224188,CC(C)N(C(=O)c1ccc(-c2nn(Cc3ccccc3)c3c2CN(C(=O)OC(C)(C)C)C3)c(Cl)c1)C(C)C,SYGHRKBKJSELMX-UHFFFAOYSA-N
-rxn:4:213353:226844,O=C(CN1C(=O)c2ccccc2C1=O)N1CCC(Oc2ccncc2-c2ccnc(C(=O)C(F)(F)F)c2)C1,LGOCLXWXUPQUET-UHFFFAOYSA-N
-rxn:4:213380:223075,O=C(CSc1nc2c(c(=O)n1-c1ccc(-c3ccc(NS(=O)(=O)C4CC4)cc3)cc1)SCC2)N1CCCCC1,GKBMBUSOQRWXCR-UHFFFAOYSA-N
-rxn:4:213398:224326,Cc1cc(-c2ccc(-c3nc(=S)c4c(n3CCCN(C)C)CCCC4)cc2)ccc1S(=O)(=O)N1CCCCC1,BXHTYWJCQNTTEC-UHFFFAOYSA-N
-rxn:4:213400:224372,COc1cccc(N2CCN(C(=O)Cn3ccc4ccc(-c5cc(C(=O)N6CCCC6)cc([N+](=O)[O-])c5)cc43)CC2)c1,JGYWROUGUVVJFU-UHFFFAOYSA-N
-rxn:4:213412:223179,CONC(=O)c1cc(-c2ccc3c(C(=O)N4CCC(S(=O)(=O)CC(C)C)CC4)n(C)nc3c2)ccc1F,FAKFCFHLCPEACY-UHFFFAOYSA-N
-rxn:4:213412:226844,CC(C)CS(=O)(=O)C1CCN(C(=O)c2c3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3nn2C)CC1,WSXKNDAPWRDCPR-UHFFFAOYSA-N
-rxn:4:213415:223179,CONC(=O)c1cc(-c2ccc(-n3c(SCC(=O)N4CCCCCC4)nc4c(c3=O)SCC4)cc2)ccc1F,QNENHCRXMZOKLQ-UHFFFAOYSA-N
-rxn:4:213416:223279,CC1CCN(C(=O)CSc2nc3c(c(=O)n2-c2ccc(-c4cnc(C5CCCN5)nc4)cc2)SCC3)CC1,NLNCMMVSUZILMG-UHFFFAOYSA-N
-rxn:4:213416:226844,CC1CCN(C(=O)CSc2nc3c(c(=O)n2-c2ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc2)SCC3)CC1,NNOONECXRNWBLE-UHFFFAOYSA-N
-rxn:4:213428:222946,CC(C)(C)OC(=O)N1CCC[C@H]1c1ncc(-c2ccc3cc(-c4cnc(N5CCCCC5O)nc4Cl)ccc3c2)[nH]1,RHLJNTQNNQOPSA-PMCHYTPCSA-N
-rxn:4:213451:223179,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5ccc(F)c(C(=O)NOC)c5)cc43)C(=O)N2c2ccc(CC)cc2)cc1,CWLLPWUXCPPWOM-UHFFFAOYSA-N
-rxn:4:213451:223279,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5cnc(C6CCCN6)nc5)cc43)C(=O)N2c2ccc(CC)cc2)cc1,LSFLQANHJHLICD-UHFFFAOYSA-N
-rxn:4:213451:226844,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5ccnc(C(=O)C(F)(F)F)c5)cc43)C(=O)N2c2ccc(CC)cc2)cc1,WTHFGLYOJKUGBF-UHFFFAOYSA-N
-rxn:4:213458:223179,CONC(=O)c1cc(-c2ccc(OC)c([C@@H]3[C@@H](C(C)=O)N4c5ccccc5C=C[C@@H]4C3(C#N)C#N)c2)ccc1F,WHEOGVRXJMTBJD-MPFGFTFXSA-N
-rxn:4:213475:226844,COc1cc(-c2ccnc(C(=O)C(F)(F)F)c2)ccc1[C@@H]1c2ccc3c(cnn3C3CCCCCO3)c2C[C@@H](C)N1CC(F)(F)F,JKGBEJNQTVFYKE-BJDXTGSTSA-N
-rxn:4:213480:223179,CONC(=O)c1cc(-c2cncc(C(=O)OC[C@H]3CN(C)[C@@H]4Cc5c[nH]c6cccc(c56)[C@@]4(OC)C3)c2)ccc1F,FTMFGJDJWBWDDV-OHVZIQCJSA-N
-rxn:4:213481:223179,CONC(=O)c1cc(-c2cncc(C(=O)OCC3CN(C)C4Cc5cn(C)c6cccc(c56)C4(OC)C3)c2)ccc1F,QIMDNSRFPJMYFU-UHFFFAOYSA-N
-rxn:4:213604:224325,CCS(=O)(=O)N1CCC(Oc2ncc(-c3ccc(C4=CCN(S(C)(=O)=O)CC4)cc3)cn2)C1,VATCIBFXALXTJR-UHFFFAOYSA-N
-rxn:4:213680:223279,O=[N+]([O-])c1cc(F)c(-c2cnc(C3CCCN3)nc2)cc1N1CCN(CC(F)(F)F)CC1,FGSAQOXDVYWQAN-UHFFFAOYSA-N
-rxn:4:213680:226844,O=C(c1cc(-c2cc(N3CCN(CC(F)(F)F)CC3)c([N+](=O)[O-])cc2F)ccn1)C(F)(F)F,SDWJURNUDNNNTR-UHFFFAOYSA-N
-rxn:4:213754:224256,CCN1CCN(Cc2cc([N+](=O)[O-])ccc2-c2ccc(Cl)c(C(=O)N3CCCCC3C)c2)CC1,WPADUEHDOIJVMH-UHFFFAOYSA-N
-rxn:4:213756:222438,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3cc(C(=O)Nc4cc([N+](=O)[O-])ccc4F)ccc3Cl)s2)CC1,RQSLRDHYTINIFV-UHFFFAOYSA-N
-rxn:4:213759:223507,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccccc2-c2cnc(C3CCCN3C(=O)OC(C)(C)C)cn2)CC1,JETIBHHZBMXFAG-UHFFFAOYSA-N
-rxn:4:213769:222745,CC(C)(C)OC(=O)NCc1cccc(-c2cnc(C3CCCN3C(=O)OC(C)(C)C)nc2)c1,RSCAKGMSZDRGTK-UHFFFAOYSA-N
-rxn:4:213770:224751,CC(C)(C)OC(=O)N1CCC(c2ncc(-c3ccc(F)c(C(=O)N4CCOCC4)c3)cn2)C1,KTGQMJAGXUOYDY-UHFFFAOYSA-N
-rxn:4:213770:224758,CC(C)(C)OC(=O)N1CCC(c2ncc(-c3ccc(C(=O)N4CCOCC4)c(Cl)c3)cn2)C1,KDPODJSJBHSTIG-UHFFFAOYSA-N
-rxn:4:213798:224757,CC(C)(C)OC(=O)N1CCOC(c2cnc(-c3cc(Cl)cc(C(=O)N4CCOCC4)c3)cn2)C1,HWDKPCXFGQOYIC-UHFFFAOYSA-N
-rxn:4:213798:224759,CC(C)(C)OC(=O)N1CCOC(c2cnc(-c3cc(F)cc(C(=O)N4CCOCC4)c3)cn2)C1,CARNMGJTRVHDHX-UHFFFAOYSA-N
-rxn:4:213799:223945,CC(C)(C)OC(=O)N1CCOC(c2cc(-c3ccc(OCCCN4CCOCC4)c(F)c3)ncn2)C1,XCJMPQZHAIBASD-UHFFFAOYSA-N
-rxn:4:213801:225984,CC(C)(C)OC(=O)N1CCOC(c2cncc(-c3cnc(Cl)c(N4CCOCC4)c3)n2)C1,PKBUNRUSGDCIGE-UHFFFAOYSA-N
-rxn:4:213829:224195,CCN1CCN(Cc2cc(-c3cnc(OC4CCCN(C(=O)c5ccc(F)c(F)c5F)C4)nc3)ccc2Cl)CC1,DGNSEIQEUDYIII-UHFFFAOYSA-N
-rxn:4:213877:225975,CC(C)(C)OC(=O)N1CCN(c2ccnc(-c3ccnc(N4CCOCC4)c3Cl)c2)CC1,ZWICJBGEVDUEJY-UHFFFAOYSA-N
-rxn:4:213880:225975,CC(C)(C)OC(=O)N1CCN(c2cnccc2-c2ccnc(N3CCOCC3)c2Cl)CC1,GOAIVRAMDVGGJG-UHFFFAOYSA-N
-rxn:4:213880:225977,CC(C)(C)OC(=O)N1CCN(c2cnccc2-c2cc(Cl)cnc2N2CCOCC2)CC1,HFTSRDNRDPKISM-UHFFFAOYSA-N
-rxn:4:213884:225123,CC(C)(C)OC(=O)N1CCC(c2ccnc(-c3ccncc3OCC3CCCCO3)n2)CC1,MWOJFQDXPIGHNO-UHFFFAOYSA-N
-rxn:4:213892:225978,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2ccc(N3CCOCC3)nc2F)CC1,CJYOAQQCGYVQPJ-UHFFFAOYSA-N
-rxn:4:213894:225976,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccnc(N4CCOCC4)c3F)cn2)CC1,TUMJRMOHESCJDC-UHFFFAOYSA-N
-rxn:4:213897:225975,CC(C)(C)OC(=O)N1CCN(c2ccncc2-c2ccnc(N3CCOCC3)c2Cl)CC1,MSYOYKCWLFWMDH-UHFFFAOYSA-N
-rxn:4:213910:223279,O=S(=O)(N1CCOCC1)N1CCC(Oc2ncccc2-c2cnc(C3CCCN3)nc2)C1,HGYWUWYEHGCTGA-UHFFFAOYSA-N
-rxn:4:213910:226844,O=C(c1cc(-c2cccnc2OC2CCN(S(=O)(=O)N3CCOCC3)C2)ccn1)C(F)(F)F,VKICJOMUTGYGQF-UHFFFAOYSA-N
-rxn:4:213933:223179,CONC(=O)c1cc(-c2cc(C(F)(F)F)cnc2N2CCCN(S(=O)(=O)C3CC3)CC2)ccc1F,FWXIRGITOFRKAU-UHFFFAOYSA-N
-rxn:4:213944:223179,CONC(=O)c1cc(-c2cnc(C3CCN(C(=O)OC(C)(C)C)CC3C)[nH]2)ccc1F,FGVUXYXHACQQPX-UHFFFAOYSA-N
-rxn:4:213946:223179,CONC(=O)c1cc(-c2cnn(C3CCN(C(=O)OC(C)(C)C)CC3C)c2)ccc1F,ORSXLPUFEWUWDW-UHFFFAOYSA-N
-rxn:4:213954:223179,CONC(=O)c1cc(-c2cnccc2OC2CCN(C3CCN(C4CC4)C3=O)C2)ccc1F,JJWRPKQAFWBJQZ-UHFFFAOYSA-N
-rxn:4:213955:223279,O=C(C1CC=CCC1)N1CCC(Oc2ncc(-c3cnc(C4CCCN4)nc3)cn2)CC1,UYLRBUSIGUFGKV-UHFFFAOYSA-N
-rxn:4:213971:223179,CONC(=O)c1cc(-c2cc(C(F)(F)F)cnc2N2CCOC(C(=O)N3CCOCC3)C2)ccc1F,VDVCPHHAOOOLCE-UHFFFAOYSA-N
-rxn:4:213973:223179,CONC(=O)c1cc(-c2cc(C(F)(F)F)cnc2N2CCOC(C(=O)N3CCSCC3)C2)ccc1F,NGGXZSCVWZSGRL-UHFFFAOYSA-N
-rxn:4:213973:223279,O=C(C1CN(c2ncc(C(F)(F)F)cc2-c2cnc(C3CCCN3)nc2)CCO1)N1CCSCC1,JJFBEPJNSZVNEN-UHFFFAOYSA-N
-rxn:4:213973:226844,O=C(C1CN(c2ncc(C(F)(F)F)cc2-c2ccnc(C(=O)C(F)(F)F)c2)CCO1)N1CCSCC1,GQWBSUYSJWRMFF-UHFFFAOYSA-N
-rxn:4:213978:223179,CONC(=O)c1cc(-c2cc(C(=O)OC(C)(C)C)cc(N3CCN(C)CC3)n2)ccc1F,KBEXQOOMJTVPFM-UHFFFAOYSA-N
-rxn:4:213979:223179,CONC(=O)c1cc(-c2ccc(C3CCN(C(=O)OC(C)(C)C)CC3C)nn2)ccc1F,LBQPDPNEWVJUOJ-UHFFFAOYSA-N
-rxn:4:213980:222944,CC1CN(C(=O)OC(C)(C)C)CCC1c1nccc(-c2ccc(S(=O)(=O)NC3CC3)cc2F)n1,SIBMATHBDYUVMV-UHFFFAOYSA-N
-rxn:4:213980:223493,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccnc(C2CCN(C(=O)OC(C)(C)C)CC2C)n1,BMLVDTWJUVSOAG-UHFFFAOYSA-N
-rxn:4:213980:223882,Cc1cccc2c1cc(-c1ccnc(C3CCN(C(=O)OC(C)(C)C)CC3C)n1)n2C(=O)OC(C)(C)C,TUPXPOIJDHYOKY-UHFFFAOYSA-N
-rxn:4:213980:224368,CC1CN(C(=O)OC(C)(C)C)CCC1c1nccc(-c2cnc(Cl)c(N(C)C(=O)OC(C)(C)C)c2)n1,RPFOFXBRJOIWIZ-UHFFFAOYSA-N
-rxn:4:213980:226844,CC1CN(C(=O)OC(C)(C)C)CCC1c1nccc(-c2ccnc(C(=O)C(F)(F)F)c2)n1,IUZORMPLRHZFSB-UHFFFAOYSA-N
-rxn:4:213987:223179,CONC(=O)c1cc(-c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2C)ccc1F,PNVUEUHZCCRHFB-UHFFFAOYSA-N
-rxn:4:213990:223098,CC(=O)NS(=O)(=O)c1ccc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2C)cc1,JFJJFCQHQGSGIE-UHFFFAOYSA-N
-rxn:4:213990:223179,CONC(=O)c1cc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2C)ccc1F,FIFDSKDLUFAWHF-UHFFFAOYSA-N
-rxn:4:213992:223179,CONC(=O)c1cc(-c2cnc(OC3CCN(CC4CCOCC4)CC3)nc2)ccc1F,RPAOHUKRTOMCFW-UHFFFAOYSA-N
-rxn:4:213993:223179,CONC(=O)c1cc(-c2cnc(N3CCN(C)CC3)c(C(=O)OC(C)(C)C)c2)ccc1F,CRRXYEQIGDPPSS-UHFFFAOYSA-N
-rxn:4:213994:223179,CONC(=O)c1cc(-c2cncc(N3CCN(C(=O)OC(C)(C)C)C[C@H]3C)c2)ccc1F,HRPFZJCPSHISDJ-OAHLLOKOSA-N
-rxn:4:213995:223179,CONC(=O)c1cc(-c2ccc(N3CCN(C)CC3)nc2C(=O)OC(C)(C)C)ccc1F,QDJRCPZGYZINJC-UHFFFAOYSA-N
-rxn:4:213997:223179,CONC(=O)c1cc(-c2cnccc2N2CCN(C(=O)OC(C)(C)C)C(C)C2)ccc1F,FTWHTJXREDVYOP-UHFFFAOYSA-N
-rxn:4:213998:224197,CCN1CCN(Cc2ccc(-c3cncc(N4CCN(C(=O)OC(C)(C)C)C(C)C4)c3)cc2F)CC1,IFXJBFKYXNHUMZ-UHFFFAOYSA-N
-rxn:4:213998:226894,CC1CN(c2cncc(-c3cc(Cl)c(F)cc3C(F)(F)F)c2)CCN1C(=O)OC(C)(C)C,ANQBLTKOIGGXLK-UHFFFAOYSA-N
-rxn:4:213999:223179,CONC(=O)c1cc(-c2cnc(C3CCN(C(=O)OC(C)(C)C)CC3C)nc2)ccc1F,ACNHINYOTVLUNX-UHFFFAOYSA-N
-rxn:4:214000:223179,CONC(=O)c1cc(-c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3C)c(F)c2)ccc1F,GTMXOHUJEXSQSW-UHFFFAOYSA-N
-rxn:4:214001:223179,CONC(=O)c1cc(-c2cnc(N3CCN(C(=O)OC(C)(C)C)C(C)C3)c(F)c2)ccc1F,YLTLMXVOFFMGII-UHFFFAOYSA-N
-rxn:4:214003:223179,CONC(=O)c1cc(-c2cccnc2OC2CCN(C(=O)C3CC(=O)N(C)C3)CC2)ccc1F,WCDPSNPJMOSFSR-UHFFFAOYSA-N
-rxn:4:214014:223279,O=C(c1cncc(-c2cnc(C3CCCN3)nc2)c1)N1CCCSCC1CN1CCCC1,YVVAGZNSVFRYTH-UHFFFAOYSA-N
-rxn:4:214014:226844,O=C(c1cncc(-c2ccnc(C(=O)C(F)(F)F)c2)c1)N1CCCSCC1CN1CCCC1,LZZPWMWVEJCWEX-UHFFFAOYSA-N
-rxn:4:214015:223179,CONC(=O)c1cc(-c2ccc(CN3CCC(C#N)CC3)c(N3CCOCC3)c2)ccc1F,CQMDTRTWWKCMKF-UHFFFAOYSA-N
-rxn:4:214015:223279,N#CC1CCN(Cc2ccc(-c3cnc(C4CCCN4)nc3)cc2N2CCOCC2)CC1,ZVRDAWDXNLUFKY-UHFFFAOYSA-N
-rxn:4:214026:223279,O=C(C1CCCN(c2ncc(C(F)(F)F)cc2-c2cnc(C3CCCN3)nc2)C1)N1CCOCC1,LFHRSHBNMUUTLG-UHFFFAOYSA-N
-rxn:4:214027:223279,O=C(C1CCCN(c2ncc(-c3cnc(C4CCCN4)nc3)cc2C(F)(F)F)C1)N1CCOCC1,YDILIBMWHAHLGV-UHFFFAOYSA-N
-rxn:4:214027:226844,O=C(C1CCCN(c2ncc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2C(F)(F)F)C1)N1CCOCC1,BXRZETHOWGTMQC-UHFFFAOYSA-N
-rxn:4:214033:223179,CONC(=O)c1cc(-c2cc(C3=N[C@@H](C(C)C)CO3)nc(C3=N[C@@H](C(C)C)CO3)c2)ccc1F,NPORTYAVAVXASB-FGZHOGPDSA-N
-rxn:4:214033:223279,CC(C)[C@H]1COC(c2cc(-c3cnc(C4CCCN4)nc3)cc(C3=N[C@@H](C(C)C)CO3)n2)=N1,FRVLEVFGOYWDKE-IPKCRJEZSA-N
-rxn:4:214033:223566,Cc1ccc(C)n1-c1cc(-c2cc(C3=N[C@@H](C(C)C)CO3)nc(C3=N[C@@H](C(C)C)CO3)c2)cc(-n2c(C)ccc2C)n1,VKVNNAKIOUTXJP-LOYHVIPDSA-N
-rxn:4:214033:226343,CC(C)[C@H]1COC(c2cc(-c3ccc(OC4CCOC4)cc3)cc(C3=N[C@@H](C(C)C)CO3)n2)=N1,ULJOJRLMOHKYFB-LYWQJQBASA-N
-rxn:4:214033:226844,CC(C)[C@H]1COC(c2cc(-c3ccnc(C(=O)C(F)(F)F)c3)cc(C3=N[C@@H](C(C)C)CO3)n2)=N1,ZGQWMOGCJIPQDH-WOJBJXKFSA-N
-rxn:4:214033:227815,CCC(C)c1ccccc1-c1cc(C2=N[C@@H](C(C)C)CO2)nc(C2=N[C@@H](C(C)C)CO2)c1,UMJNTHLAGLALFH-XTEKXTAFSA-N
-rxn:4:214033:228220,CC(C)c1cc(-c2cc(C3=N[C@@H](C(C)C)CO3)nc(C3=N[C@@H](C(C)C)CO3)c2)c(F)cn1,RXYLCVPCEJITBJ-DHIUTWEWSA-N
-rxn:4:214035:224376,CN1CCN(S(=O)(=O)c2cccc(-c3ccc(C(=O)N4CCC(n5nc(C6CC6)ccc5=O)CC4)cc3)c2)CC1,RACMKAGRJVMRAT-UHFFFAOYSA-N
-rxn:4:214035:224377,CN1CCN(S(=O)(=O)c2ccc(-c3ccc(C(=O)N4CCC(n5nc(C6CC6)ccc5=O)CC4)cc3)cc2)CC1,PRYZNYOXSATZRE-UHFFFAOYSA-N
-rxn:4:214046:226844,C[C@@H]1CN(c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cn2)[C@@H](C)CN1C(=O)OC(C)(C)C,JQKWUAHXVYVEPB-LSDHHAIUSA-N
-rxn:4:214047:223179,CONC(=O)c1cc(-c2cnc(N3CCN(C(=O)OC(C)(C)C)C(C)C3)cc2C)ccc1F,URTMPWOJMFSSQE-UHFFFAOYSA-N
-rxn:4:214048:223179,CONC(=O)c1cc(-c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3C)cc2C)ccc1F,PBHJZUHGFUZHID-UHFFFAOYSA-N
-rxn:4:214048:226844,Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2C)ncc1-c1ccnc(C(=O)C(F)(F)F)c1,HZDLFLQHPMBKCN-UHFFFAOYSA-N
-rxn:4:214050:223179,CONC(=O)c1cc(-c2cnc(N3C[C@H](C)N(C(=O)OC(C)(C)C)C[C@H]3C)c(F)c2)ccc1F,WQJRQEQOZRFTBT-CABCVRRESA-N
-rxn:4:214051:223279,CC(C)c1sc(-c2cnc(C3CCCN3)nc2)nc1C(=O)N1CCN(C2CCS(=O)(=O)C2)CC1,RUYDHMGDJDQCCF-UHFFFAOYSA-N
-rxn:4:214054:222690,O=C(Nc1ccccn1)c1cc(F)cc(-c2ccccc2S(=O)(=O)N2CCC(N3CC(=O)N(C4CC4)C3=O)CC2)c1,WHGSJUCZAPFYKD-UHFFFAOYSA-N
-rxn:4:214054:226844,O=C1CN(C2CCN(S(=O)(=O)c3ccccc3-c3ccnc(C(=O)C(F)(F)F)c3)CC2)C(=O)N1C1CC1,BUBMYSKYFQYQES-UHFFFAOYSA-N
-rxn:4:214054:227596,O=C1CN(C2CCN(S(=O)(=O)c3ccccc3-c3cnc(N4CCCC4)nc3)CC2)C(=O)N1C1CC1,JIXDWDPYKVGLMR-UHFFFAOYSA-N
-rxn:4:214059:223179,CONC(=O)c1cc(-c2ccc(N3CCC4(CC3)CN(C(=O)OC(C)(C)C)C4)nc2)ccc1F,VQBSMZHHCWZENP-UHFFFAOYSA-N
-rxn:4:214060:223279,CC(C)(C)OC(=O)N1CC2(CCN(c3cncc(-c4cnc(C5CCCN5)nc4)c3)CC2)C1,QKWSTUSPGYFAFZ-UHFFFAOYSA-N
-rxn:4:214062:223179,CCN1CCN(Cc2ccc(-c3ccc(F)c(C(=O)NOC)c3)cc2N2CCOCC2)CC1,UCFKAHMYJDSIEN-UHFFFAOYSA-N
-rxn:4:214064:223179,CONC(=O)c1cc(-c2ccc(CN3CCN(S(C)(=O)=O)CC3)c(N3CCOCC3)c2)ccc1F,IEEJGZHLCGCWFJ-UHFFFAOYSA-N
-rxn:4:214064:223279,CS(=O)(=O)N1CCN(Cc2ccc(-c3cnc(C4CCCN4)nc3)cc2N2CCOCC2)CC1,DJMHUOMTGUUIMD-UHFFFAOYSA-N
-rxn:4:214064:226844,CS(=O)(=O)N1CCN(Cc2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2N2CCOCC2)CC1,FRZVNXYTEBEZGG-UHFFFAOYSA-N
-rxn:4:214070:223279,O=C(c1ccccc1-c1cnc(C2CCCN2)nc1)N1CCC(N2CC(=O)N(c3ccccc3)C2=O)CC1,UOAAGNHDSPCFAU-UHFFFAOYSA-N
-rxn:4:214071:226844,O=C(c1cccc(-c2ccnc(C(=O)C(F)(F)F)c2)c1)N1CCN(S(=O)(=O)N2CCCCCC2)CC1,YAAZCFDIVCDSEI-UHFFFAOYSA-N
-rxn:4:214078:226844,CCN1CCN(Cc2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2N2CCCCC2)CC1,KHBVEVCMCYEYJF-UHFFFAOYSA-N
-rxn:4:214082:223179,CONC(=O)c1cc(-c2ccc(CN3CCN(C(C)C)CC3)c(N3CCOCC3)c2)ccc1F,BUEZUHYZYKHYPL-UHFFFAOYSA-N
-rxn:4:214082:226844,CC(C)N1CCN(Cc2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2N2CCOCC2)CC1,BTJOLLJZFOBDPO-UHFFFAOYSA-N
-rxn:4:214145:223179,CONC(=O)c1cc(-c2nc(C(F)(F)F)n3c2CN(C(=O)OC(C)(C)C)CC3)ccc1F,JBOSVNSNYAGJOO-UHFFFAOYSA-N
-rxn:4:214145:223279,CC(C)(C)OC(=O)N1CCn2c(C(F)(F)F)nc(-c3cnc(C4CCCN4)nc3)c2C1,CCTJKXVPKBTLEB-UHFFFAOYSA-N
-rxn:4:214146:223279,CC(C)(C)OC(=O)N1CCn2c(nc(C(F)(F)F)c2-c2cnc(C3CCCN3)nc2)C1,UQOXVTHFCXKQHK-UHFFFAOYSA-N
-rxn:4:214147:223279,CC(C)(C)OC(=O)N1CCn2c(-c3cnc(C4CCCN4)nc3)nc(C(F)(F)F)c2C1,YQLMYLQNFXZAEC-UHFFFAOYSA-N
-rxn:4:214152:223660,C#CCn1c(=NC(=O)c2nc3ccccc3s2)sc2cc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)s3)ccc21,QOAQRZJYTKUEHT-UHFFFAOYSA-N
-rxn:4:214202:223179,CONC(=O)c1cc(-c2cnc([C@@H]3[C@H]4CC[C@H](C4)N3C(=O)OC(C)(C)C)nc2)ccc1F,ISJALAUIRFBWAC-GMBSWORKSA-N
-rxn:4:214203:225688,CS(=O)(=O)N1CCN(C(=O)Cn2ccc3cc(-c4cnc(C5CCCCC5)c(Cl)c4)ccc32)CC1,ZYESYTFAIXDDQL-UHFFFAOYSA-N
-rxn:4:214229:223179,CONC(=O)c1cc(-c2cnn(C3CC4CCC(C3)N4C(=O)OC(C)(C)C)c2)ccc1F,RDTWNLBCVDJNBE-UHFFFAOYSA-N
-rxn:4:214229:223279,CC(C)(C)OC(=O)N1C2CCC1CC(n1cc(-c3cnc(C4CCCN4)nc3)cn1)C2,LLZUGIFIZAFRLD-UHFFFAOYSA-N
-rxn:4:214230:223085,CC(C)(C)OC(=O)N1CC=C(c2c[nH]c3cc(-c4cnc(Cl)c(N5CCC(O)C5)c4)cnc23)CC1,ZRCQUGSZYMJPCF-UHFFFAOYSA-N
-rxn:4:214231:223085,CC(C)(C)OC(=O)N1CCOC(c2cn3c(-c4cnc(Cl)c(N5CCC(O)C5)c4)cccc3n2)C1,MAPRWMMXXQNOCH-UHFFFAOYSA-N
-rxn:4:214231:223106,CC(C)(C)OC(=O)N1CCOC(c2cn3c(-c4cnc(N5CCC(O)C5)nc4Cl)cccc3n2)C1,GGHUXONJELPIFE-UHFFFAOYSA-N
-rxn:4:214231:225984,CC(C)(C)OC(=O)N1CCOC(c2cn3c(-c4cnc(Cl)c(N5CCOCC5)c4)cccc3n2)C1,GTVIEQUBCUHPTL-UHFFFAOYSA-N
-rxn:4:214234:225233,CC1CCCN(c2cc(-c3cnc4[nH]cc(C5=CCN(C(=O)OC(C)(C)C)CC5)c4c3)cnc2Cl)C1,FZHOTAOUINTCFH-UHFFFAOYSA-N
-rxn:4:214236:225294,CCN1CCN(c2ncc(-c3c(-c4ccc(F)cc4)nc4n3CCN(C(=O)OC(C)(C)C)C4)cn2)CC1,YKJBTFDRJKBOCM-UHFFFAOYSA-N
-rxn:4:214252:223179,CONC(=O)c1cc(-c2ccc(N3C(=NC(=O)c4cccc([N+](=O)[O-])c4)SC4CS(=O)(=O)CC43)cc2)ccc1F,DKFVCAHWLJWWGJ-UHFFFAOYSA-N
-rxn:4:214252:223279,O=C(N=C1SC2CS(=O)(=O)CC2N1c1ccc(-c2cnc(C3CCCN3)nc2)cc1)c1cccc([N+](=O)[O-])c1,SBFNBAXJQRKKMN-UHFFFAOYSA-N
-rxn:4:214277:226844,CC(C)(C)OC(=O)N1CCC(n2ncc3cc(F)c(-c4ccnc(C(=O)C(F)(F)F)c4)cc32)CC1,GTQIUURMWVLVPH-UHFFFAOYSA-N
-rxn:4:214291:223179,CONC(=O)c1cc(-c2ccc3nc([C@@H]4[C@H]5CC[C@H](C5)N4C(=O)OC(C)(C)C)[nH]c3c2)ccc1F,SYBZXONPLCQTIA-JKSBSHDWSA-N
-rxn:4:214320:223179,CONC(=O)c1cc(-c2ccc3ncn(C4CCCN(C(=O)OC(C)(C)C)CC4)c3c2)ccc1F,KIUXSPZXPKZWBG-UHFFFAOYSA-N
-rxn:4:214323:223179,CONC(=O)c1cc(-c2ccc3ccn(CC(=O)N4CCN(C5CCS(=O)(=O)C5)CC4)c3c2)ccc1F,BBBGYQNLKRIKHI-UHFFFAOYSA-N
-rxn:4:214333:226844,Cc1nc(C2CCN(C(=O)OC(C)(C)C)CC2)nc2cc(-c3ccnc(C(=O)C(F)(F)F)c3)ccc12,OZZRWYGHJKTSFB-UHFFFAOYSA-N
-rxn:4:214353:223179,CONC(=O)c1cc(-c2cn([C@H]3CC[C@H](O[Si](C)(C)C(C)(C)C)CC3)c3nc(Cl)ncc23)ccc1F,HDYWMEJEEUIFSN-IYARVYRRSA-N
-rxn:4:214353:223279,CC(C)(C)[Si](C)(C)O[C@H]1CC[C@H](n2cc(-c3cnc(C4CCCN4)nc3)c3cnc(Cl)nc32)CC1,SMMNOFKLTDPZJK-DDDLIOIYSA-N
-rxn:4:214359:222624,CC(=O)N1N=C(c2c(C)nc3ccc(-c4cc(CC(C)C)nc(C5CCNCC5)c4)cc3c2-c2ccccc2)CC1c1ccc(F)cc1,KJMKRGNDEQPPOP-UHFFFAOYSA-N
-rxn:4:214379:223684,O=C(c1ccc(-c2cc(OCc3cccnc3)ccc2OC(F)(F)F)o1)N1CCN(S(=O)(=O)c2cc3c4c(c2)CCN4C(=O)CC3)CC1,VHCOELZIYMTYDF-UHFFFAOYSA-N
-rxn:4:214389:226844,CC(=O)N1CCc2c([nH]c3ccccc23)C12C(=O)N(CCC(C)C)c1ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc12,ZFEYRBDIVMSCIV-UHFFFAOYSA-N
-rxn:4:214390:223179,CCOc1ccc(C2=NN3C(C2)c2cc(-c4ccc(F)c(C(=O)NOC)c4)ccc2OC32CCN(C(C)=O)CC2)cc1,QREIYPYYHDZVNE-UHFFFAOYSA-N
-rxn:4:214443:223481,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3ccc(-c4noc(CC#N)n4)cc3)c(F)c2)CC1,GCVRNYKEBCKEDS-UHFFFAOYSA-N
-rxn:4:214609:223835,Cc1cc(F)c(-c2cncc(C(=O)N3CCC(C#N)CC3)c2)cc1S(=O)(=O)N1CCC(C)CC1,KRSUBGVVYOWUFC-UHFFFAOYSA-N
-rxn:4:214651:223576,CC(C)(C)OC(=O)N1CCC(Oc2cccc(-c3cnc(OC4CN(C(C)(C)C)C4)nc3)c2)CC1,JXXQYJCHJNGXHY-UHFFFAOYSA-N
-rxn:4:214711:224325,CCS(=O)(=O)N1CCN(c2ccc(-c3ccc(C4=CCN(S(C)(=O)=O)CC4)cc3)cn2)CC1,MAVFULXLROKXIT-UHFFFAOYSA-N
-rxn:4:214711:224379,CCS(=O)(=O)N1CCN(c2ccc(-c3ccccc3S(=O)(=O)N3CCN(C)CC3)cn2)CC1,UPMJMCBHJITLCV-UHFFFAOYSA-N
-rxn:4:214732:223649,CC(C)(C)OC(=O)N1CCN(c2cccc(-c3ccc(N4CCN(Cc5cncs5)CC4)cc3)c2)CC1,INGAZQZDDCETPC-UHFFFAOYSA-N
-rxn:4:214734:224325,CS(=O)(=O)N1CC=C(c2ccc(-c3cnc(N4CCN(S(=O)(=O)C5CC5)CC4)c(Cl)c3)cc2)CC1,VNYOZQWINKZRMW-UHFFFAOYSA-N
-rxn:4:214771:222715,CN(C)C1CCN(c2ccc([N+](=O)[O-])cc2-c2cc(Cl)c(F)c(NC(=O)OC(C)(C)C)c2)CC1,QEHMTVVAIWEPGJ-UHFFFAOYSA-N
-rxn:4:214820:223670,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2cnc(N3CCOC(C(=O)N4CCCC4)C3)c(F)c2)CC1,BPPRYZWNMYZRAQ-UHFFFAOYSA-N
-rxn:4:214821:226844,O=C(c1cc(-c2cnc(N3CCCN(S(=O)(=O)C4CC4)CC3)c(F)c2)ccn1)C(F)(F)F,JCADRJFAFJTHOW-UHFFFAOYSA-N
-rxn:4:214830:226844,O=C(C1CN(c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cn2)CCO1)N1CCSCC1,HFPLMCQIWPIEQQ-UHFFFAOYSA-N
-rxn:4:214835:223279,O=C(C1CN(c2ncc(Cl)cc2-c2cnc(C3CCCN3)nc2)CCO1)N1CCOCC1,RTPQHRYVHGQFJD-UHFFFAOYSA-N
-rxn:4:214835:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cc(Cl)cnc3N3CCOC(C(=O)N4CCOCC4)C3)c(F)c2)CC1,QTABESFQDHLDLR-RZWCHVLBSA-N
-rxn:4:214836:223279,O=C(C1CN(c2ncc(Cl)cc2-c2cnc(C3CCCN3)nc2)CCO1)N1CCSCC1,LOFZLRFVASJJSB-UHFFFAOYSA-N
-rxn:4:214838:226279,Cc1cnc(OCC(C)C)c(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)c(F)c2)c1,BZAVWRNZOFPPQR-UHFFFAOYSA-N
-rxn:4:214838:226474,CN(C)CCOc1cncc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)c(F)c2)c1,LWZYBQPTGVXLKQ-UHFFFAOYSA-N
-rxn:4:214859:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1ccc(S(=O)(=O)N2CCCC(c3ccn(C)n3)C2)cc1,KSTULUKQAPDSLC-UHFFFAOYSA-N
-rxn:4:214865:226844,O=C(C1CCCN(c2ncccc2-c2ccnc(C(=O)C(F)(F)F)c2)C1)N1CCOCC1,QHKLTTWZBFOGBG-UHFFFAOYSA-N
-rxn:4:214870:223279,O=C(C1CCCN(c2ncc(Cl)cc2-c2cnc(C3CCCN3)nc2)C1)N1CCOCC1,PWOPIXMHILCGOT-UHFFFAOYSA-N
-rxn:4:214870:225876,O=C(C1CCCN(c2ncc(Cl)cc2-c2cc(Cl)ccc2N2CCOCC2)C1)N1CCOCC1,DOJPDWNYDZBJHI-UHFFFAOYSA-N
-rxn:4:214870:226844,O=C(C1CCCN(c2ncc(Cl)cc2-c2ccnc(C(=O)C(F)(F)F)c2)C1)N1CCOCC1,SFBPGCWYFUPHRL-UHFFFAOYSA-N
-rxn:4:214871:223279,O=C(C1CCCN(c2ncc(-c3cnc(C4CCCN4)nc3)cc2Cl)C1)N1CCOCC1,CASQYYUEDHYHPS-UHFFFAOYSA-N
-rxn:4:214872:223279,O=C(C1CN(c2ncc(Cl)cc2-c2cnc(C3CCCN3)nc2)CCO1)N1CCCCC1,ZYCZKRDVEVJSHX-UHFFFAOYSA-N
-rxn:4:214873:223650,CC(C)(C)OC(=O)N1CCN(c2ccccc2-c2cnc(N3CCCC(C(=O)N4CCOCC4)C3)c(F)c2)CC1,HKTBCMNUILHMKY-UHFFFAOYSA-N
-rxn:4:214875:222584,O=C(C1CCCN(c2ncc(-c3ccc(OCCCN4CCNCC4)c(F)c3)cc2F)C1)N1CCSCC1,OBPNUEGSDRDFKA-UHFFFAOYSA-N
-rxn:4:214875:223595,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(N4CCCC(C(=O)N5CCSCC5)C4)c(F)c3)cc2F)CC1,PKRBNYRREGDMQW-UHFFFAOYSA-N
-rxn:4:214875:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2cnc(N3CCCC(C(=O)N4CCSCC4)C3)c(F)c2)CC1,HLSCUBWHZYUKIQ-UHFFFAOYSA-N
-rxn:4:214880:227212,CCCCOc1ncccc1-c1cnc(N2CCOC(C(=O)N3CCOCC3)C2)c(C)c1,QDINMZNHGWYOEJ-UHFFFAOYSA-N
-rxn:4:214882:223179,CONC(=O)c1cc(-c2ccc(N3CCC(C(=O)N4CCC(F)(F)CC4)CC3)nc2)ccc1F,WUEJAKQJPYIQBV-UHFFFAOYSA-N
-rxn:4:214883:223279,O=C(C1CCN(c2ccncc2-c2cnc(C3CCCN3)nc2)CC1)N1CCC(F)(F)CC1,XFGBKMJDKQQDGE-UHFFFAOYSA-N
-rxn:4:214884:223279,O=C(C1CCN(c2ncc(Cl)cc2-c2cnc(C3CCCN3)nc2)CC1)N1CCC(F)(F)CC1,VWOMYVVLDNYKQB-UHFFFAOYSA-N
-rxn:4:214890:227526,COC(=O)c1ccc(-c2cncc(C(=O)N3CCCN(C4CCSCC4)CC3)c2)cc1Cl,QWAIDXCPFVMIOW-UHFFFAOYSA-N
-rxn:4:214894:223179,CONC(=O)c1cc(-c2ccc(CN3CCN(C)CC3)c(N3CCOCC3)c2)ccc1F,YWENUACWINKIFF-UHFFFAOYSA-N
-rxn:4:215075:225569,COC(=O)c1cc(-c2cnn(C3CC4CCC(C3)N4CC(F)(F)F)c2)ccc1C1CC1,YEVJJNUVUMZNIX-UHFFFAOYSA-N
-rxn:4:215110:225278,COC(=O)c1ccc(C(=O)OC)c(-c2nc(C)n3c2CN(C(=O)OC(C)(C)C)CC3)c1,UQMSWCYAPICLPN-UHFFFAOYSA-N
-rxn:4:215170:223279,O=C(c1cncc(-c2cnc(C3CCCN3)nc2)c1)N1CC(N2C(=O)C3CC=CCC3C2=O)C1,UEGQJAPQJKUEPG-UHFFFAOYSA-N
-rxn:4:215188:223179,CONC(=O)c1cc(-c2ccc(N3C(=O)N(c4ccc([N+](=O)[O-])cc4)C4CS(=O)(=O)CC43)cc2)ccc1F,YJNQWMUSMBYMTM-UHFFFAOYSA-N
-rxn:4:215201:223262,CNC(=O)c1ccc(-c2cnc3n2CCC32CCN(C(=O)OC(C)(C)C)CC2)cc1Cl,PZUAMEVKIFZXLH-UHFFFAOYSA-N
-rxn:4:215214:223279,CC(C)(C)OC(=O)N1CCOCC2(Cc3ncc(-c4cnc(C5CCCN5)nc4)n3C2)C1,YUSQIBMNMCAEQU-UHFFFAOYSA-N
-rxn:4:215232:223179,CONC(=O)c1cc(-c2ccc3ccc(N4CCCC(C(=O)N5CCOCC5)C4)nc3c2)ccc1F,HCMLWESXBZAPQF-UHFFFAOYSA-N
-rxn:4:215288:225878,COc1ccc2[nH]c3c(c2c1)CCN(C1CC(=O)N(c2ccc(-c4cc(Cl)cc(N5CCOCC5)c4)cc2)C1=O)C3,ZGMCACZFUANCFX-UHFFFAOYSA-N
-rxn:4:215295:222543,CC(C)(C)OC(=O)NC1(c2ccc(-c3cnc4n3CCc3ccccc3C43CCN(C(=O)OC(C)(C)C)CC3)cc2)CC1,MBJDRNTZZUVWMQ-UHFFFAOYSA-N
-rxn:4:215295:223279,CC(C)(C)OC(=O)N1CCC2(CC1)c1ccccc1CCn1c(-c3cnc(C4CCCN4)nc3)cnc12,QLHGDRUXDOYAHU-UHFFFAOYSA-N
-rxn:4:215295:226844,CC(C)(C)OC(=O)N1CCC2(CC1)c1ccccc1CCn1c(-c3ccnc(C(=O)C(F)(F)F)c3)cnc12,LNPJPDTZMMHAJR-UHFFFAOYSA-N
-rxn:4:215296:226844,CCCN1CCC2(CC1)Oc1ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc1C1CC(c3ccccc3)=NN12,XYRYGINUGOSDIA-UHFFFAOYSA-N
-rxn:4:215297:226844,CC(=O)N1CCc2c([nH]c3ccccc23)C12C(=O)N(CC(C)C)c1ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc12,BSGGBWNMOUYQME-UHFFFAOYSA-N
-rxn:4:215298:223179,CONC(=O)c1cc(-c2ccc3c(c2)C2(C(=O)N3C)c3[nH]c4ccccc4c3CCN2C(=O)CC(C)C)ccc1F,DFVRBCQKNGNMBP-UHFFFAOYSA-N
-rxn:4:215298:226844,CC(C)CC(=O)N1CCc2c([nH]c3ccccc23)C12C(=O)N(C)c1ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc12,OYBRQUUDUAEDRR-UHFFFAOYSA-N
-rxn:4:215299:223179,CONC(=O)c1cc(-c2ccc3c(c2)C2CC(c4ccc(OC)cc4)=NN2C2(CCN(C(C)=O)CC2)O3)ccc1F,ZKOCWCDFLWFABR-UHFFFAOYSA-N
-rxn:4:215299:226844,COc1ccc(C2=NN3C(C2)c2cc(-c4ccnc(C(=O)C(F)(F)F)c4)ccc2OC32CCN(C(C)=O)CC2)cc1,CWXLOEPZNDXTNJ-UHFFFAOYSA-N
-rxn:4:215300:224883,CC(c1ccc(-c2ccc3c(c2)C2CC(c4ccco4)=NN2C2(CCN(Cc4ccccc4)CC2)O3)cc1)N1CCCCC1,JUNCQFNQLATANZ-UHFFFAOYSA-N
-rxn:4:215302:226844,O=C(c1cc(-c2ccc3c(c2)C2CC(c4ccc(Cl)cc4)=NN2C2(CCN(Cc4ccccc4)CC2)O3)ccn1)C(F)(F)F,NWEATZPFGMZZRW-UHFFFAOYSA-N
-rxn:4:215303:223179,CCCN1CCC2(CC1)Oc1ccc(-c3ccc(F)c(C(=O)NOC)c3)cc1C1CC(c3ccc4ccccc4c3)=NN12,APLGGOYZAPJEHK-UHFFFAOYSA-N
-rxn:4:215304:223109,Cc1ccc(C2=NN3C(C2)c2cc(-c4ccc(C(C)NC5CC5)cc4)ccc2OC32CCN(Cc3ccccc3)CC2)cc1,MULUHHZKJXYUNJ-UHFFFAOYSA-N
-rxn:4:215304:226183,Cc1ccc(C2=NN3C(C2)c2cc(-c4cnccc4C4CCCCC4)ccc2OC32CCN(Cc3ccccc3)CC2)cc1,IVWOPLARCYIIEJ-UHFFFAOYSA-N
-rxn:4:215304:226844,Cc1ccc(C2=NN3C(C2)c2cc(-c4ccnc(C(=O)C(F)(F)F)c4)ccc2OC32CCN(Cc3ccccc3)CC2)cc1,LUCHVVRVYXZMMJ-UHFFFAOYSA-N
-rxn:4:215310:225553,CC(=O)OC1=C2C(=Nc3c(c(=O)n(C)c(=O)n3C)C2c2ccc(-c3ccc(C(=O)N(C)C(C)C)cc3)cc2)c2ccccc21,NJOBUJJDKWAASC-UHFFFAOYSA-N
-rxn:4:215736:222573,O=C(NCC1CCCCC1)c1cc(F)cc(-c2cnc(N3CCOCC3)c([N+](=O)[O-])c2)c1,XBRBHDIHFXOTNW-UHFFFAOYSA-N
-rxn:4:215856:222514,COc1ccc(-c2cnc(N3CCCC(C)C3)cc2C#N)cc1S(=O)(=O)NC1CCCCC1,YSJWAHTXDHPLGL-UHFFFAOYSA-N
-rxn:4:215888:223640,CCOC12C(=O)c3cc(F)cc(-c4cnc(N5CCCC(C)C5)c([N+](=O)[O-])c4)c3C(=O)C1C2(C)C,MWSOAFWBOZPDGI-UHFFFAOYSA-N
-rxn:4:215908:224325,CS(=O)(=O)N1CC=C(c2ccc(-c3cncc(N4CCN(S(C)(=O)=O)CC4)c3)cc2)CC1,QQFFAAWWIZKJDY-UHFFFAOYSA-N
-rxn:4:215912:224325,CS(=O)(=O)N1CC=C(c2ccc(-c3cnc(N4CCN(S(C)(=O)=O)CC4)c(Cl)c3)cc2)CC1,WOGIJCIPXWWRRY-UHFFFAOYSA-N
-rxn:4:215941:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccncc3N3CCC(N(C)C)CC3)c(F)c2)CC1,YWRWWUVTZJQDHY-YHBQERECSA-N
-rxn:4:215942:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3ncccc3N3CCC(N(C)C)CC3)c(F)c2)CC1,RBLRQNKDAMTHTH-YHBQERECSA-N
-rxn:4:215955:223992,Cc1ccc(-c2cnccc2N2CCC(N(C)C)CC2)cc1S(=O)(=O)N1CCN(C)CC1,RESJTJNKJDBUEA-UHFFFAOYSA-N
-rxn:4:215974:222628,c1cc(N2CCC(N3CCOCC3)C2)ncc1-c1cc(C2CCC2)nc(C2CCCNC2)c1,DDLFDQPBFOBHAM-UHFFFAOYSA-N
-rxn:4:215983:222628,Cc1cc(N2CCN(C(C)C)CC2)ncc1-c1cc(C2CCC2)nc(C2CCCNC2)c1,KZGWPLOEIGXBHK-UHFFFAOYSA-N
-rxn:4:216354:223179,CONC(=O)c1cc(-c2ccc3c(c2)C2CC(c4ccccc4)=NN2C2(CCN(C(C)=O)CC2)O3)ccc1F,GYUPTKQBSVGVSK-UHFFFAOYSA-N
-rxn:4:216356:226844,COc1ccc(C2=NN3C(C2)c2cc(-c4ccnc(C(=O)C(F)(F)F)c4)ccc2OC32CCN(C)CC2)cc1,PGXNRRXTAHATQJ-UHFFFAOYSA-N
-rxn:4:217072:223529,Cc1nn(C(C)(C)C)nc1-c1ccc(CN2CCN(C(=O)OC(C)(C)C)CC2)c(F)c1,VTTXBHTTZIVCAC-UHFFFAOYSA-N
-rxn:4:217902:224244,CC1CCN(C(=O)c2cc(-c3c4c(c([N+](=O)[O-])c5cn[nH]c35)C(C)(C)CC4(C)C)ccc2Cl)CC1,DKAUUISVGOXBFX-UHFFFAOYSA-N
-rxn:4:218551:225407,CN(Cc1nn(C)c(C#N)c1-c1ccc(C2CCCCCC2)cc1)C(=O)OC(C)(C)C,HWBHXQPYWJTRDD-UHFFFAOYSA-N
-rxn:4:218589:222537,N#Cc1ccc(S(=O)(=O)N2CCCC(COc3ncc(-c4cc(C5CCCC5)nc(C5CCCNC5)c4)cn3)C2)cc1,RPBSTOSYMNWPOP-UHFFFAOYSA-N
-rxn:4:218603:223179,CONC(=O)c1cc(-c2cnc(OCC3CCCN(C(=O)CN4C(=O)CCC4=O)C3)nc2)ccc1F,CJRZYJLFXRUCMH-UHFFFAOYSA-N
-rxn:4:218620:223651,Cc1nc(C2CCN(C(=O)OC(C)(C)C)C2)ccc1-c1cnc(OCC2CCCN(Cc3csc(C4CC4)n3)C2)nc1,VZWWHLIKLPFQDS-UHFFFAOYSA-N
-rxn:4:218652:224860,CCCOc1ccc2cc(-c3cnc(N(C)CC4CCN(C(=O)OC(C)(C)C)CC4)cn3)ccc2c1,AUGWCUIQKSIAKR-UHFFFAOYSA-N
-rxn:4:218656:223179,CONC(=O)c1cc(-c2cnc(OCC3CCCN(C(=O)c4cn(C)c(=O)cc4OC)C3)nc2)ccc1F,MHHMIOGOHLLYRT-UHFFFAOYSA-N
-rxn:4:218668:223179,CONC(=O)c1cc(-c2cccnc2OC2CCN(C(=O)CN3CCN(c4ccccc4)C3=O)C2)ccc1F,PVXDSSXYTJRMRD-UHFFFAOYSA-N
-rxn:4:218668:223279,O=C(CN1CCN(c2ccccc2)C1=O)N1CCC(Oc2ncccc2-c2cnc(C3CCCN3)nc2)C1,GSAYRIBBFYOURR-UHFFFAOYSA-N
-rxn:4:218675:223179,CONC(=O)c1cc(-c2cncc(C(=O)N3CCC(COc4cc(C5CCC5)ncn4)CC3)c2)ccc1F,BVQIEYRSULFYTQ-UHFFFAOYSA-N
-rxn:4:218682:222584,CC(=O)N1CCC(C(=O)N2CCCC(COc3ncc(-c4ccc(OCCCN5CCNCC5)c(F)c4)cn3)C2)CC1,NIIHXVXRSSTYKN-UHFFFAOYSA-N
-rxn:4:218682:223179,CONC(=O)c1cc(-c2cnc(OCC3CCCN(C(=O)C4CCN(C(C)=O)CC4)C3)nc2)ccc1F,FAIJOAVCGGBBOA-UHFFFAOYSA-N
-rxn:4:218682:225313,CC(=O)N1CCC(C(=O)N2CCCC(COc3ncc(-c4ccc(N5CCN(C)CC5)nc4F)cn3)C2)CC1,KJTIORFKIDOYNP-UHFFFAOYSA-N
-rxn:4:218686:226844,CN1CCN(CC#CCOC2CCN(c3ccncc3-c3ccnc(C(=O)C(F)(F)F)c3)CC2)CC1,PNIPAVZFQCIVKF-UHFFFAOYSA-N
-rxn:4:218695:226844,Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCn3nc(C)c(-c4ccnc(C(=O)C(F)(F)F)c4)c3C)CC2)cc1,XYIFXMNWHOLUOB-UHFFFAOYSA-N
-rxn:4:218699:227628,CC(C)(C)OC(=O)N1CCCN(c2nc(-c3cccc(-c4cnc(C5CCC5)nc4Cl)c3)ccc2C#N)CC1,CBOSJZUGFFNNMU-UHFFFAOYSA-N
-rxn:4:218700:223279,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cnc(C5CCCN5)nc4)cc3)CC2c2ccc(F)cc2)C(=O)C1=O,CDJVGPWTMMXWKB-UHFFFAOYSA-N
-rxn:4:218710:223179,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(F)c(C(=O)NOC)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,AKFMJWSUNGBHHT-UHFFFAOYSA-N
-rxn:4:218710:226844,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,CCFLTFIMXPRVPJ-UHFFFAOYSA-N
-rxn:4:218711:226616,CC(C)(C)OC(=O)N1CCN(C2CCN(c3ccc([N+](=O)[O-])cc3-c3ccnc(-c4cncnc4)c3)CC2)CC1,GYULAAWLDCZGNJ-UHFFFAOYSA-N
-rxn:4:218711:226802,CC(C)(C)OC(=O)N1CCN(C2CCN(c3ccc([N+](=O)[O-])cc3-c3cnc(-n4ccnc4)cc3F)CC2)CC1,PIRAIBAGTXZHLR-UHFFFAOYSA-N
-rxn:4:218712:226844,Cc1ccc(S(=O)(=O)N2CCN(C(=O)CC(C)n3nc(C)c(-c4ccnc(C(=O)C(F)(F)F)c4)c3C)CC2)c(C)c1,KIWQEJODJBKLIA-UHFFFAOYSA-N
-rxn:4:218713:226844,Cc1ccc(S(=O)(=O)N2CCN(C(=O)CC(C)n3nc(C)c(-c4ccnc(C(=O)C(F)(F)F)c4)c3C)CC2)cc1C,ZYXGBPMZBTWFPJ-UHFFFAOYSA-N
-rxn:4:218754:223279,CC(C)(C)OC(=O)N1CCC(n2c(=O)c3scc(-c4cnc(C5CCCN5)nc4)c3n(CC#N)c2=O)CC1,MKFQJYFQQGXEAT-UHFFFAOYSA-N
-rxn:4:218769:222890,COc1cc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCCC4)CC3)c2)cc(C2CCCNC2)n1,YDGAPCLLFHZTFK-UHFFFAOYSA-N
-rxn:4:218769:223279,O=C(CN1CCN(C(=O)Cn2ccc3cc(-c4cnc(C5CCCN5)nc4)ccc32)CC1)N1CCCC1,QMTLNVRNTXVGRJ-UHFFFAOYSA-N
-rxn:4:218772:226844,O=C(CN1CCN(C(=O)Cn2ccc3cc(-c4ccnc(C(=O)C(F)(F)F)c4)ccc32)CC1)N1CCOCC1,SWBIIRCQRSUQTE-UHFFFAOYSA-N
-rxn:4:218773:222934,CCNC(=O)c1cc(-c2ccc(-n3c(SCC(=O)N4CCN(c5ccccc5)CC4)nc4c(c3=O)SCC4)cc2)cc([N+](=O)[O-])c1,YAHUVPDFSDJROW-UHFFFAOYSA-N
-rxn:4:218773:223179,CONC(=O)c1cc(-c2ccc(-n3c(SCC(=O)N4CCN(c5ccccc5)CC4)nc4c(c3=O)SCC4)cc2)ccc1F,YTEPDFWZJNMJDO-UHFFFAOYSA-N
-rxn:4:218778:226844,Cc1cc(Cn2c(N3CC4(CN(C(=O)OC(C)(C)C)C4)C3)nc3c(-c4ccnc(C(=O)C(F)(F)F)c4)cc(Cl)cc32)cc(C)c1F,CTNDVFOXERFASH-UHFFFAOYSA-N
-rxn:4:218786:228799,COc1c(Cl)cccc1-c1cccc2c3c([nH]c12)CCN(C(=O)CCC(=O)N1CCN(S(C)(=O)=O)CC1)C3,BTURDIBGFHXAEO-UHFFFAOYSA-N
-rxn:4:218787:226844,CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C2CCCCC2)c1=NC(=O)c1cccc(-c2ccnc(C(=O)C(F)(F)F)c2)c1,MXRUFVMUXUEYRW-UHFFFAOYSA-N
-rxn:4:218788:226655,CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C2CCCCC2)c1=NC(=O)c1ccccc1-c1cc(Cl)cnc1N1CCCC1,NHZCYSWZYPUXEW-UHFFFAOYSA-N
-rxn:4:218815:222883,CC(C)(C)NC(=O)c1ccc(-c2cnn(CC3CN(C(=O)CN4C(=O)CCC4=O)C3)c2)c(Cl)c1,UZHSRFWEAXROKK-UHFFFAOYSA-N
-rxn:4:218815:223179,CONC(=O)c1cc(-c2cnn(CC3CN(C(=O)CN4C(=O)CCC4=O)C3)c2)ccc1F,XJMBURMUTPWWSV-UHFFFAOYSA-N
-rxn:4:218867:225882,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3cnc(Cl)c(C4CCOCC4)c3)c2)no1,WQBBROINTNQNFW-UHFFFAOYSA-N
-rxn:4:218867:227119,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3cc(C4CCCCC4)cs3)c2)no1,ODTPDFODELMCIQ-UHFFFAOYSA-N
-rxn:4:218903:223179,CONC(=O)c1cc(-c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)c(C#N)c2)ccc1F,BOYFPIAUSFJJNB-UHFFFAOYSA-N
-rxn:4:218903:223279,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3cnc(C4CCCN4)nc3)cc2C#N)CC1,DTOCEZXWWCHAKA-UHFFFAOYSA-N
-rxn:4:218944:226025,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3cnc(OC4CCOC4)nc3Cl)cc2[N+](=O)[O-])CC1,RZZPJKZIFSXBIY-UHFFFAOYSA-N
-rxn:4:218945:223279,CC(C)(C)OC(=O)N1CCN(c2c(-c3cnc(C4CCCN4)nc3)cncc2[N+](=O)[O-])CC1,BGEJOLLCSHSXGL-UHFFFAOYSA-N
-rxn:4:218963:223279,Cn1ncc(-c2cnc(C3CCCN3)nc2)c1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1,NBNSDZKXYIQJHV-UHFFFAOYSA-N
-rxn:4:218964:223279,CC(=O)N1CCC(C(=O)N2CC(Cn3cc(-c4cnc(C5CCCN5)nc4)cn3)C2)CC1,FJXBNLKLAZJLDH-UHFFFAOYSA-N
-rxn:4:218982:223179,CONC(=O)c1cc(-c2cncc(C(=O)N3CCC(N4CC(=O)N(CC(F)(F)F)C4=O)CC3)c2)ccc1F,XJBXERQGBLUHAZ-UHFFFAOYSA-N
-rxn:4:218998:223279,O=C(N1CCOCC1)N1CCCC(COc2ncc(-c3cnc(C4CCCN4)nc3)cn2)C1,NHYNNPUNYFNSBY-UHFFFAOYSA-N
-rxn:4:218998:224015,Cc1cc(F)c(-c2cnc(OCC3CCCN(C(=O)N4CCOCC4)C3)nc2)cc1S(=O)(=O)N1CCOCC1,ZQTWDSKESJKHPB-UHFFFAOYSA-N
-rxn:4:218999:223179,CONC(=O)c1cc(-c2cnc(N3CCN(C(=O)OC(C)(C)C)C[C@@H]3C)c(C#N)c2)ccc1F,QDZVQVRFWNLZSZ-HNNXBMFYSA-N
-rxn:4:218999:223279,C[C@H]1CN(C(=O)OC(C)(C)C)CCN1c1ncc(-c2cnc(C3CCCN3)nc2)cc1C#N,ZNIXFWWKXPKYQL-DJZRFWRSSA-N
-rxn:4:218999:226844,C[C@H]1CN(C(=O)OC(C)(C)C)CCN1c1ncc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1C#N,RJMURBSAOZKIJD-AWEZNQCLSA-N
-rxn:4:219001:223179,CCN1CCN(C(=O)N2CCC(Oc3ncccc3-c3ccc(F)c(C(=O)NOC)c3)C2)C(=O)C1=O,BMZXEINZIHOBFJ-UHFFFAOYSA-N
-rxn:4:219001:223279,CCN1CCN(C(=O)N2CCC(Oc3ncccc3-c3cnc(C4CCCN4)nc3)C2)C(=O)C1=O,UCSQHMZLBIOFAC-UHFFFAOYSA-N
-rxn:4:219002:222584,Cn1cccc(C(=O)N2CCCC(COc3ncc(-c4ccc(OCCCN5CCNCC5)c(F)c4)cn3)C2)c1=O,XKCUNQPMAYOZNY-UHFFFAOYSA-N
-rxn:4:219011:223179,CONC(=O)c1cc(-c2cnc(N(C)C3CCN(C(=O)OC(C)(C)C)CC3)cn2)ccc1F,MHUBOHRJPJAQJV-UHFFFAOYSA-N
-rxn:4:219012:223179,CONC(=O)c1cc(-c2cnc(N(C)C3CCCN(C(=O)OC(C)(C)C)C3)nc2)ccc1F,XXOCXOAIXCJNLZ-UHFFFAOYSA-N
-rxn:4:219013:223279,CC1CN(c2c(-c3cnc(C4CCCN4)nc3)cncc2[N+](=O)[O-])CCN1C(=O)OC(C)(C)C,GVQKYGQLKCXYTH-UHFFFAOYSA-N
-rxn:4:219013:226844,CC1CN(c2c(-c3ccnc(C(=O)C(F)(F)F)c3)cncc2[N+](=O)[O-])CCN1C(=O)OC(C)(C)C,OGRHBTLLGCIUGX-UHFFFAOYSA-N
-rxn:4:219016:223179,CONC(=O)c1cc(-c2cncc(C(=O)N3CCCC(N(C)c4ncccc4C(F)(F)F)C3)c2)ccc1F,PTTZJMTYQTYWOU-UHFFFAOYSA-N
-rxn:4:219027:223279,CC1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1c(-c2cnc(C3CCCN3)nc2)cnn1C,HZNLZTWCFJXWNX-UHFFFAOYSA-N
-rxn:4:219028:223179,CONC(=O)c1cc(-c2c(C(=O)N3CCN(C(=O)OC(C)(C)C)C(C)C3)cnn2C)ccc1F,AUBGKPRHTKSDMC-UHFFFAOYSA-N
-rxn:4:219042:226844,CC1CN(C(=O)OC(C)(C)C)CCN1Cc1nn(C)cc1-c1ccnc(C(=O)C(F)(F)F)c1,DQQFQXGWEXAGIS-UHFFFAOYSA-N
-rxn:4:219043:226844,CC1CN(Cc2nn(C)cc2-c2ccnc(C(=O)C(F)(F)F)c2)CCN1C(=O)OC(C)(C)C,QGYYCAMJFJXSSW-UHFFFAOYSA-N
-rxn:4:219046:223279,O=C1C(N2CCCC(COc3ncc(-c4cnc(C5CCCN5)nc4)cn3)C2)CCN1C1CC1,VZJUTZYRFFSGRA-UHFFFAOYSA-N
-rxn:4:219047:224817,COc1ccc(-c2ccccc2S(=O)(=O)N2CCOCC2)c(C(=O)N2CCN(c3ccc(C4CC4)nn3)CC2)c1,TXYUGOKOAIQKHR-UHFFFAOYSA-N
-rxn:4:219061:223279,CS(=O)(=O)N1CCC(C(=O)N2CCCC(Oc3ncc(-c4cnc(C5CCCN5)nc4)cn3)C2)CC1,NDPGTQIXRYZIBG-UHFFFAOYSA-N
-rxn:4:219061:225360,CS(=O)(=O)N1CCC(C(=O)N2CCCC(Oc3ncc(-c4ccc(S(=O)(=O)n5cccn5)cc4)cn3)C2)CC1,ZUOMKDWZFCQZEL-UHFFFAOYSA-N
-rxn:4:219066:223279,O=C(C1CC(=O)N(c2ccccc2)C1)N1CCC(Oc2ncc(-c3cnc(C4CCCN4)nc3)cn2)CC1,YJBFOTOGNVVGDM-UHFFFAOYSA-N
-rxn:4:219071:224322,Cc1ccc(-c2cc(C(=O)N3CCN(S(=O)(=O)c4ccc(-c5ccc(S(=O)(=O)N6CCC(C)CC6)cc5)cc4)CC3)n[nH]2)cc1,OGKONLTWSKIVAX-UHFFFAOYSA-N
-rxn:4:219073:224284,COc1ccc(COc2ncc(-c3ccc(C(=O)N4CCN(c5ccc([N+](=O)[O-])c(N6CCCC6)c5)CC4)cc3)cn2)cc1,HVFPTFQPCCYDCZ-UHFFFAOYSA-N
-rxn:4:219120:225877,O=C(c1cncc(-c2ccc(Cl)cc2N2CCOCC2)c1)N1CC2CCCC2(COc2ncc(F)cn2)C1,MOMMSODAXZSUEJ-UHFFFAOYSA-N
-rxn:4:219130:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(C(=O)N4CCN(Cc5nc6cc(OC)ccc6[nH]5)CC4)o3)c(F)cc2C)CC1,HMNUJEQWRFAYSQ-UHFFFAOYSA-N
-rxn:4:219135:223179,CONC(=O)c1cc(-c2cc(CN3N=NC4C(=O)N(c5ccc(OC)cc5)C(=O)C43)ccc2OC)ccc1F,KCFYYPYUEWJQHH-UHFFFAOYSA-N
-rxn:4:219142:223279,CC(C)(C)OC(=O)N1CCC(c2n[nH]c3c(C#N)cc(-c4cnc(C5CCCN5)nc4)cc23)CC1,JDBXLGXWGZUWAX-UHFFFAOYSA-N
-rxn:4:219161:223179,CONC(=O)c1cc(-c2cnn3c(OC)cc(C4CCCN(C(=O)OC(C)(C)C)C4)nc23)ccc1F,RLTBVZYNYWTRDB-UHFFFAOYSA-N
-rxn:4:219161:226844,COc1cc(C2CCCN(C(=O)OC(C)(C)C)C2)nc2c(-c3ccnc(C(=O)C(F)(F)F)c3)cnn12,FHGUKHKAAJFGBU-UHFFFAOYSA-N
-rxn:4:219174:223179,CONC(=O)c1cc(-c2ccccc2CCC(=O)N2CCCc3cnc(N4CCOCC4)nc32)ccc1F,XZWHUXPCRGKRJP-UHFFFAOYSA-N
-rxn:4:219175:225156,CN(C(=O)c1cc2nc(-c3ccc(-c4cc(C(=O)N5CCCC5)ccc4F)cc3)cc(C(F)(F)F)n2n1)C1CCCCC1,PTTAJNRNWYLHOD-UHFFFAOYSA-N
-rxn:4:219269:222514,COc1ccc(-c2ccccc2S(=O)(=O)N2CC(Cn3cncn3)C2)cc1S(=O)(=O)NC1CCCCC1,XXPGBUWJXVZIJO-UHFFFAOYSA-N
-rxn:4:219271:226844,O=C(c1cc(-c2cnc(N3CCN(CC(F)(F)F)CC3)c([N+](=O)[O-])c2)ccn1)C(F)(F)F,WHDKVXVRIXFBQR-UHFFFAOYSA-N
-rxn:4:219315:223636,CC(C)(C)OC(=O)N1CCCC(c2ccc(-c3cnc(N4CCC(COc5ccc(F)cn5)C4)nc3)cc2)C1,SUBVVASDIGWKHY-UHFFFAOYSA-N
-rxn:4:219315:223638,CC(C)(C)OC(=O)N1CCCC(c2cccc(-c3cnc(N4CCC(COc5ccc(F)cn5)C4)nc3)c2)C1,LMBDNNJZLLIQSY-UHFFFAOYSA-N
-rxn:4:219363:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1cnccc1OC1CCN(S(=O)(=O)c2cnn(C)c2)C1,WGXRVFUHNAEFND-UHFFFAOYSA-N
-rxn:4:219364:223526,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3cncc(C(=O)N4CCCC(Oc5ncc(Cl)cn5)C4)c3)cc2)CC1,QPOIUOISSFDQPW-UHFFFAOYSA-N
-rxn:4:219383:223928,CC(C)(C)OC(=O)N1CCc2ncc(-c3cnc(OCC4CCCN(c5ccncc5Cl)C4)nc3)cc2C1,LFDAJBKWFZUEIH-UHFFFAOYSA-N
-rxn:4:219383:223929,CC(C)(C)OC(=O)N1CCc2cc(-c3cnc(OCC4CCCN(c5ccncc5Cl)C4)nc3)cnc2C1,RZRDZTHYWHVLDA-UHFFFAOYSA-N
-rxn:4:219384:223928,CC(C)(C)OC(=O)N1CCc2ncc(-c3cnc(N4CCC(COc5ccncc5Cl)CC4)nc3)cc2C1,LSSMEPLOVGQUAC-UHFFFAOYSA-N
-rxn:4:219384:223929,CC(C)(C)OC(=O)N1CCc2cc(-c3cnc(N4CCC(COc5ccncc5Cl)CC4)nc3)cnc2C1,NOMJWWLLHKKASL-UHFFFAOYSA-N
-rxn:4:219407:223581,COC(=O)c1cccc2cc(-c3cnc(N4CCN(C(=O)OC(C)(C)C)CC4)nc3)n(C(=O)OC(C)(C)C)c12,NSOLAMCDVWLYBA-UHFFFAOYSA-N
-rxn:4:219407:225356,CCOc1ccc(C(F)(F)F)c(F)c1-c1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1,SJANPLIKGGZPFJ-UHFFFAOYSA-N
-rxn:4:219410:223279,O=S(=O)(N1CCOCC1)N1CCC(Oc2ncc(-c3cnc(C4CCCN4)nc3)cn2)C1,YXNAJBRZWTXKIM-UHFFFAOYSA-N
-rxn:4:219462:226844,O=C(c1cc(-c2cnc(OC3CCCN(S(=O)(=O)N4CCCC4)C3)nc2)ccn1)C(F)(F)F,HNLWMPLNBODQFU-UHFFFAOYSA-N
-rxn:4:219469:223179,CONC(=O)c1cc(-c2cnc(SC)nc2N2CCCN(S(=O)(=O)C3CC3)CC2)ccc1F,QWDVQBUJIQFYEZ-UHFFFAOYSA-N
-rxn:4:219471:223279,CSc1ncc(-c2cnc(C3CCCN3)nc2)c(N2CCOC(C(=O)N3CCCC3)C2)n1,CYYJJDIJZLASPA-UHFFFAOYSA-N
-rxn:4:219473:223179,CONC(=O)c1cc(-c2cnc(N3CCOC(C(=O)N4CCCC4)C3)nc2OC)ccc1F,LBDIMBJJGVANSR-UHFFFAOYSA-N
-rxn:4:219479:223872,CCN(C(=O)c1cccc(-c2ccc(Cl)c(C(=O)N3CCCN(S(=O)(=O)c4c[nH]cn4)CC3)c2)c1)C1CCCCC1,SGUVOKTZXAFDFM-UHFFFAOYSA-N
-rxn:4:219489:223179,CONC(=O)c1cc(-c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2C)ccc1F,QGAHAUMEFRQHRR-UHFFFAOYSA-N
-rxn:4:219489:226844,Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1ccnc(C(=O)C(F)(F)F)c1,DHLPMLJTCUXODJ-UHFFFAOYSA-N
-rxn:4:219497:223279,N#Cc1cc(-c2cnc(C3CCCN3)nc2)cnc1N1CCOC(C(=O)N2CCCCC2)C1,DDZXVFBRAFKZSI-UHFFFAOYSA-N
-rxn:4:219498:223279,COc1nc(N2CCOC(C(=O)N3CCOCC3)C2)ncc1-c1cnc(C2CCCN2)nc1,HVBALDIPEPSUKF-UHFFFAOYSA-N
-rxn:4:219498:226844,COc1nc(N2CCOC(C(=O)N3CCOCC3)C2)ncc1-c1ccnc(C(=O)C(F)(F)F)c1,FRWUQILUFWUSAG-UHFFFAOYSA-N
-rxn:4:219499:223179,CONC(=O)c1cc(-c2cnc(N3CCCC(C(=O)N4CCOCC4)C3)c(C#N)c2)ccc1F,ZLGBSVQHXOCTIQ-UHFFFAOYSA-N
-rxn:4:219499:228432,CSc1c(Cl)ccc(-c2cnc(N3CCCC(C(=O)N4CCOCC4)C3)c(C#N)c2)c1F,VXADSGQNFXHONW-UHFFFAOYSA-N
-rxn:4:219500:223179,CONC(=O)c1cc(-c2cnc(N3CCCC(C(=O)N4CCSCC4)C3)c(C#N)c2)ccc1F,ZGSLDSNUXDMICA-UHFFFAOYSA-N
-rxn:4:219500:223279,N#Cc1cc(-c2cnc(C3CCCN3)nc2)cnc1N1CCCC(C(=O)N2CCSCC2)C1,DUTZDTKVIZBLBN-UHFFFAOYSA-N
-rxn:4:219500:225324,CC(C)CCn1cc(-c2cnc(N3CCCC(C(=O)N4CCSCC4)C3)c(C#N)c2)c(C(F)(F)F)n1,XZWHMZKVTALTMT-UHFFFAOYSA-N
-rxn:4:219501:223179,CONC(=O)c1cc(-c2cnc(SC)nc2N2CCOC(C(=O)N3CCOCC3)C2)ccc1F,NYZLFJVGSNWQJF-UHFFFAOYSA-N
-rxn:4:219501:226554,CCCOc1cc(F)c(-c2cnc(SC)nc2N2CCOC(C(=O)N3CCOCC3)C2)cc1F,QEEKQHBHTFZELK-UHFFFAOYSA-N
-rxn:4:219501:226844,CSc1ncc(-c2ccnc(C(=O)C(F)(F)F)c2)c(N2CCOC(C(=O)N3CCOCC3)C2)n1,RWGQZVZJDDPEGM-UHFFFAOYSA-N
-rxn:4:219506:222857,COc1cc(-c2ccc(S(=O)(=O)N3CCCN(S(=O)(=O)c4c[nH]cn4)CC3)cc2)cc(C2CCNCC2)c1,KZLHCDMCGLCKLX-UHFFFAOYSA-N
-rxn:4:219506:225631,CN1CCN(c2ccc(-c3ccc(S(=O)(=O)N4CCCN(S(=O)(=O)c5c[nH]cn5)CC4)cc3)cc2)CC1,LTVVMRHMWFYVNP-UHFFFAOYSA-N
-rxn:4:219506:225810,COc1ccc(-c2ccc(S(=O)(=O)N3CCCN(S(=O)(=O)c4c[nH]cn4)CC3)cc2)c(C2OCCO2)c1,DMWWAQPRBVDMOK-UHFFFAOYSA-N
-rxn:4:219515:223279,CC(C)(C)OC(=O)N1CCC2(CC1)CN(c1nnc(-c3cnc(C4CCCN4)nc3)s1)C2,JUKJVUCXCGOXQE-UHFFFAOYSA-N
-rxn:4:219517:226844,CN1CCC(N2CCCC(COc3ncc(-c4ccnc(C(=O)C(F)(F)F)c4)cn3)C2)C1=O,URMQELFRKXDNIB-UHFFFAOYSA-N
-rxn:4:219522:222639,Cc1cc(OC2CCN(C(=O)c3cncc(-c4ccc([C@H](C)NC(=O)OC(C)(C)C)cc4)c3)CC2)nc(C)n1,QUWAMNIKFNNSFE-FQEVSTJZSA-N
-rxn:4:219529:223179,CONC(=O)c1cc(-c2cnc(N3CCCC(C(=O)N4CCOCC4)C3)nc2OC)ccc1F,YNTPLQBWQWOLJZ-UHFFFAOYSA-N
-rxn:4:219529:223279,COc1nc(N2CCCC(C(=O)N3CCOCC3)C2)ncc1-c1cnc(C2CCCN2)nc1,ZOGRBLDLUPJOEE-UHFFFAOYSA-N
-rxn:4:219529:226844,COc1nc(N2CCCC(C(=O)N3CCOCC3)C2)ncc1-c1ccnc(C(=O)C(F)(F)F)c1,LMOLKOXWXBUVCG-UHFFFAOYSA-N
-rxn:4:219531:226844,CSc1ncc(-c2ccnc(C(=O)C(F)(F)F)c2)c(N2CCOC(C(=O)N3CCCCC3)C2)n1,JAJCCMSHUAFEJC-UHFFFAOYSA-N
-rxn:4:219532:226844,COc1nc(N2CCCC(C(=O)N3CCSCC3)C2)ncc1-c1ccnc(C(=O)C(F)(F)F)c1,YGYDWQCSKKJXSJ-UHFFFAOYSA-N
-rxn:4:219533:223179,CONC(=O)c1cc(-c2cnc(SC)nc2N2CCCC(C(=O)N3CCOCC3)C2)ccc1F,QPUZOYHDRKLLBK-UHFFFAOYSA-N
-rxn:4:219534:223945,O=C(c1cncc(-c2ccc(OCCCN3CCOCC3)c(F)c2)c1)N1CCC(n2nc(C3CC3)ccc2=O)CC1,VQTGXBPQHHZAEW-UHFFFAOYSA-N
-rxn:4:219560:223179,CONC(=O)c1cc(-c2ccccc2C(=O)N2CCCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)ccc1F,OCENTRIHJUCKQQ-UHFFFAOYSA-N
-rxn:4:219569:223279,COc1cc(N2CCC(N3CCN(C)CC3)CC2)c(-c2cnc(C3CCCN3)nc2)cc1[N+](=O)[O-],LTPFLUGSAVISIL-UHFFFAOYSA-N
-rxn:4:219627:223279,CC(C)(C)OC(=O)N1C2CCC1CN(c1nnc(-c3cnc(C4CCCN4)nc3)s1)C2,BZYGVDFISHMEHF-UHFFFAOYSA-N
-rxn:4:219651:226844,COc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)c(CN2N=NC3C(=O)N(c4ccc(F)cc4)C(=O)C32)c1,LOWFAYWPATXNGO-UHFFFAOYSA-N
-rxn:4:219654:224759,CC(C)(C)OC(=O)N1CCN(c2ncnc3sc(-c4cc(F)cc(C(=O)N5CCOCC5)c4)cc23)CC1,KBFUUKLDYZRIOE-UHFFFAOYSA-N
-rxn:4:219690:223945,CC(C)(C)OC(=O)N1CCC(n2nnc3cc(F)c(-c4ccc(OCCCN5CCOCC5)c(F)c4)cc32)CC1,NEAVBEGORDMMJB-UHFFFAOYSA-N
-rxn:4:219704:224668,CCN1CCN(c2cc(F)cc(-c3ccc4ncc(N5CCN(C(=O)OC(C)(C)C)CC5)nc4c3)c2)CC1,RLGCEZBDQVQNRZ-UHFFFAOYSA-N
-rxn:4:219704:224672,CCN1CCN(c2ccc(-c3ccc4ncc(N5CCN(C(=O)OC(C)(C)C)CC5)nc4c3)c(Cl)c2)CC1,JMUOCJLFPCTWPG-UHFFFAOYSA-N
-rxn:4:219706:224668,CCN1CCN(c2cc(F)cc(-c3cc4ncnc(N5CCN(C(=O)OC(C)(C)C)CC5)c4cc3Cl)c2)CC1,FCSYBCXXCATLTQ-UHFFFAOYSA-N
-rxn:4:219706:226844,CC(C)(C)OC(=O)N1CCN(c2ncnc3cc(-c4ccnc(C(=O)C(F)(F)F)c4)c(Cl)cc23)CC1,ITZWNURGTIFXPR-UHFFFAOYSA-N
-rxn:4:219707:225637,CN1CCN(c2ccccc2-c2c(Cl)cc3c(N4CCN(C(=O)OC(C)(C)C)CC4)ncnc3c2F)CC1,BCBSMSGJCPGENZ-UHFFFAOYSA-N
-rxn:4:219750:223179,CONC(=O)c1cc(-c2ccc(OC)cc2C(=O)N2CCCc3cnc(N4CCOCC4)nc32)ccc1F,YRUZZRYQQRWTRC-UHFFFAOYSA-N
-rxn:4:219751:223279,C[C@H]1CN(C(=O)OC(C)(C)C)CCN1c1nc(F)nc2c(F)c(-c3cnc(C4CCCN4)nc3)c(Cl)cc12,FJKKTVJVMCMWEE-PIVQAISJSA-N
-rxn:4:219762:223179,CONC(=O)c1cc(-c2ccc(C3=C(C(C)=O)Sc4nnc(C5CCCCC5)n4N3C(C)=O)cc2)ccc1F,POQBDJFUYWNDMI-UHFFFAOYSA-N
-rxn:4:219764:226844,CC(C)(C)OC(=O)N1C2CCC1CN(c1nc(F)nc3c(F)c(-c4ccnc(C(=O)C(F)(F)F)c4)c(Cl)cc13)C2,UABLAKVZYHTVIB-UHFFFAOYSA-N
-rxn:4:219780:223179,CONC(=O)c1cc(-c2cc3c(cc2C(F)F)N(c2nn(C4CCOCC4)c4c2CN(C(C)=O)CC4)CCC3)ccc1F,LYJHJWIAOGMUFN-UHFFFAOYSA-N
-rxn:4:219824:223522,CC(C)(C)[Si](C)(C)OC1CCN(c2cc(F)cc(-c3ccc(C(=O)N4CC(n5ccnn5)C4)o3)c2)CC1,OEMHLACCUACFNY-UHFFFAOYSA-N
-rxn:4:219825:223592,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc(C(=O)N4CC(n5nccn5)C4)o3)c(Cl)c2)CC1,QHDQBDXGLGMMIA-UHFFFAOYSA-N
-rxn:4:219844:223766,CC(C)(C)OC(=O)n1c(-c2cnc(N3CCN(CC(F)(F)F)CC3)nc2)cc2cc(C#N)ccc21,NVZJMOSDBWKHFN-UHFFFAOYSA-N
-rxn:4:219859:223592,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc(C(=O)N4CCC(n5nccn5)CC4)o3)c(Cl)c2)CC1,AKNRYZGQKOCBRX-UHFFFAOYSA-N
-rxn:4:219904:225233,CC1CCCN(c2cc(-c3cnc(C4CCN(S(=O)(=O)N(C)C)CC4)cn3)cnc2Cl)C1,MEMDIKUJGQWNSD-UHFFFAOYSA-N
-rxn:4:219934:223927,C[Si](C)(C)CCOCn1c(-c2cnc(N3CCOC(C(=O)N4CCCC4)C3)nc2)cc2cccnc21,HEIITZJVPJBNQQ-UHFFFAOYSA-N
-rxn:4:219938:223679,CCN1CCN(S(=O)(=O)c2c(C)cc(-c3ccc(S(=O)(=O)N4CCN(c5cnccn5)CC4)cc3)cc2C)CC1,PXBGAFAENUKKJL-UHFFFAOYSA-N
-rxn:4:219942:223699,O=S(=O)(c1ccc(-c2cccnc2N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c(C(F)(F)F)c1)N1CCOCC1,JBOJMNVGAUTSMK-UHFFFAOYSA-N
-rxn:4:219955:226844,O=C(C1CN(c2ncc(-c3ccnc(C(=O)C(F)(F)F)c3)cn2)CCO1)N1CCSCC1,VCLBUQMTKKIOEN-UHFFFAOYSA-N
-rxn:4:219959:225275,COCCOc1c(F)c(C)cc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)nc2)c1F,DJKQNLYGGCWPKL-UHFFFAOYSA-N
-rxn:4:219959:226262,CCCCOc1cccc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)nc2)c1Cl,GCIXGRWJKYYHTI-UHFFFAOYSA-N
-rxn:4:219959:226264,CCCCOc1ccc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)nc2)c(F)c1,IUFSNBRRMOQUEN-UHFFFAOYSA-N
-rxn:4:219959:226844,O=C(C1CN(c2ncc(-c3ccnc(C(=O)C(F)(F)F)c3)cn2)CCO1)N1CCOCC1,QHNIWMUVRKMGJR-UHFFFAOYSA-N
-rxn:4:219975:226262,CCCCOc1cccc(-c2cnc(N3CCOC(C(=O)N4CCCCC4)C3)nc2)c1Cl,GCMKSGOILLBDOJ-UHFFFAOYSA-N
-rxn:4:219975:226264,CCCCOc1ccc(-c2cnc(N3CCOC(C(=O)N4CCCCC4)C3)nc2)c(F)c1,PSZOIERJJAJUQO-UHFFFAOYSA-N
-rxn:4:219981:226844,O=C(C1CCCN(c2ncc(-c3ccnc(C(=O)C(F)(F)F)c3)cn2)C1)N1CCSCC1,XJTYEUKUPZLHJY-UHFFFAOYSA-N
-rxn:4:219991:222603,COc1cc(-c2cncc(C(=O)N3CCC(N4CC(=O)N(C)C4=O)CC3)c2)c(Cl)cc1NC(=O)OC(C)(C)C,FGROMRIGCPCWOZ-UHFFFAOYSA-N
-rxn:4:219991:223279,CN1C(=O)CN(C2CCN(C(=O)c3cncc(-c4cnc(C5CCCN5)nc4)c3)CC2)C1=O,SXSPKZBWNQWFBF-UHFFFAOYSA-N
-rxn:4:219997:223532,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)cc(-c3ccc(N4CCN(c5nccn(C6CC6)c5=O)CC4)cc3)c2)CC1,KOYJYRNPAYILQC-UHFFFAOYSA-N
-rxn:4:219998:222431,O=C(C1CCN(c2ncc(-c3ccc(S(=O)(=O)Nc4cccc5ccccc45)cc3)cn2)CC1)N1CCC(F)(F)CC1,DRLDBSRISVJQEZ-UHFFFAOYSA-N
-rxn:4:220041:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2nnn3c2CN(C(=O)OC(C)(C)C)CC3)cc1,XZOQHLSTELDYDB-UHFFFAOYSA-N
-rxn:4:220118:223648,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc4nc(OC5CCN(c6ncc(F)cn6)CC5)sc4c3)cc2)CC1,GUEHELRDARIVRM-UHFFFAOYSA-N
-rxn:4:220118:223650,CC(C)(C)OC(=O)N1CCN(c2ccccc2-c2ccc3nc(OC4CCN(c5ncc(F)cn5)CC4)sc3c2)CC1,NJDCEUBTMCCNJQ-UHFFFAOYSA-N
-rxn:4:220136:223832,COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1-c1ccc2ncnc(N3CCN(S(=O)(=O)C4CC4)CC3)c2c1,RLVBHDXNLIAHMB-UHFFFAOYSA-N
-rxn:4:220138:223602,CC(=O)N1N=C(c2ccc(-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3Cl)cc2)CC1c1ccc2nccnc2c1,CKOMLLXDHUKEQX-UHFFFAOYSA-N
-rxn:4:220162:222580,CSc1ncc(-c2ccc(S(=O)(=O)NC3CC3)c3ccccc23)c(N2CC(N3CC4CCCC4C3)C2)n1,AELCOUBXUBPRHT-UHFFFAOYSA-N
-rxn:4:220200:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cccc(Cn4c(=O)c(-c5noc(C)n5)c5n(c4=O)CCCC5)c3)c(F)c2)CC1,ATTUEDYVEOKURM-YOCNBXQISA-N
-rxn:4:220200:223841,Cc1nc(-c2c3n(c(=O)n(Cc4cccc(-c5cc(S(=O)(=O)N6CCN(C)CC6)c(C)cc5F)c4)c2=O)CCCC3)no1,CQIKTDQSHVJUMZ-UHFFFAOYSA-N
-rxn:4:220204:223179,CONC(=O)c1cc(-c2ccc3ncnc(N4CCOC(C(=O)N5CCOCC5)C4)c3c2)ccc1F,IXIVFYDRMORIMW-UHFFFAOYSA-N
-rxn:4:220205:226844,O=C(C1CN(c2ncc3cc(-c4ccnc(C(=O)C(F)(F)F)c4)ccc3n2)CCO1)N1CCOCC1,XNRDZWJHXWHBOL-UHFFFAOYSA-N
-rxn:4:220209:222651,O=C(NC1CCCCC1)c1ccc(F)c(-c2ccccc2S(=O)(=O)N2CCCc3cnc(N4CCOCC4)nc32)c1,HATJCGWTXXFNOU-UHFFFAOYSA-N
-rxn:4:220222:222584,Cc1ccc(-c2ccc(OCCCN3CCNCC3)c(F)c2)cc1C(=O)N1CCN(c2cc3c(nn2)CCC3)CC1,RVVPHWRWPHWAPR-UHFFFAOYSA-N
-rxn:4:220225:223179,CONC(=O)c1cc(-c2ccc3ncnc(N4CCCC(C(=O)N5CCOCC5)C4)c3c2)ccc1F,HPPLYBWIETXGAR-UHFFFAOYSA-N
-rxn:4:220225:226545,CCCOc1c(Cl)ccc(-c2ccc3ncnc(N4CCCC(C(=O)N5CCOCC5)C4)c3c2)c1F,QTRGTEDCNGDYTG-UHFFFAOYSA-N
-rxn:4:220226:223179,CONC(=O)c1cc(-c2ccc3nc(N4CCCC(C(=O)N5CCOCC5)C4)ncc3c2)ccc1F,UDPLXVIOKIMNAE-UHFFFAOYSA-N
-rxn:4:220429:222426,CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)Nc1ccc(-c3cnc(N4CCCN(C5CCOC5)CC4)nc3)cc12,NWHVEHHZBMGMMN-UHFFFAOYSA-N
-rxn:4:220430:225047,Cc1cc(-c2cnc(N3CCCN(C4CCSC4)CC3)nc2)cnc1N1CCC(C)CC1,LJSAZBWGNWBMHN-UHFFFAOYSA-N
-rxn:4:220935:223596,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)ccc2-c2cnc3ccc(N4CCOCC4)nn23)CC1,DFZFVFPVCRFUHA-UHFFFAOYSA-N
-rxn:4:221093:224301,CC(C)(C)[Si](C)(C)Oc1cc(F)c(F)c(-c2cnc(OCC3CCCN(CCn4cccn4)C3)nc2)c1,ZBCWQXPPLCIERW-UHFFFAOYSA-N
-rxn:4:221098:223580,COC(=O)c1ccc2c(c1)cc(-c1cnc(OCC3CCN(C(=O)c4cn(C)nc4C(F)F)CC3)nc1)n2C(=O)OC(C)(C)C,FCGZGTHMCQVGCI-UHFFFAOYSA-N
-rxn:4:221099:223179,CONC(=O)c1cc(-c2cnc(OCC3CCCN(C(=O)c4cn(C)nc4C(F)F)C3)nc2)ccc1F,WNCTZODPKQGVIQ-UHFFFAOYSA-N
-rxn:4:221100:225386,COc1nn(C)cc1C(=O)N1CCC(COc2ncc(-c3cc(F)c(C(F)(F)F)cc3[N+](=O)[O-])cn2)CC1,SBBCHKQNEJFUGH-UHFFFAOYSA-N
-rxn:4:221102:223532,CC(C)c1noc(CN2CCCC(COc3ncc(-c4cc(F)cc(CN5CCN(C(=O)OC(C)(C)C)CC5)c4)cn3)C2)n1,DCHSXSPHKUXXBH-UHFFFAOYSA-N
-rxn:4:221107:223179,CONC(=O)c1cc(-c2cnc(OCC3CCCN(C(=O)Cn4cnc(C)c(C)c4=O)C3)nc2)ccc1F,YRBDSXWOUFBGOZ-UHFFFAOYSA-N
-rxn:4:221110:226844,CN1CCN(CC#CCOC2CCN(c3ncc(-c4ccnc(C(=O)C(F)(F)F)c4)cn3)CC2)CC1,VMUHGPLBOJOOAK-UHFFFAOYSA-N
-rxn:4:221114:223840,CCOc1ccc(-c2ccc(OC)c(S(=O)(=O)N3CCN(C)CC3)c2)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N3CCCC3)n2)CC1,CMCFDFDZFZUEBV-UHFFFAOYSA-N
-rxn:4:221114:224397,CCOc1ccc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)cc2)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N3CCCC3)n2)CC1,ZMUUAJDGKXJLGQ-UHFFFAOYSA-N
-rxn:4:221116:222947,CCOc1ccc(-c2cnc(N3CCCC(O)C3)nc2Cl)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N3CCCCC3)n2)CC1,RULKCFVFKJJGAB-UHFFFAOYSA-N
-rxn:4:221156:224624,CCn1cc(S(=O)(=O)N2CC(Cn3cc(-c4cc(Cl)ccc4C(=O)OCC(C)(C)C)cn3)C2)nc1C,FITRVKRBTRSCAC-UHFFFAOYSA-N
-rxn:4:221163:223838,COc1ccc(-c2ccc(N3CCN(S(=O)(=O)N(C)C)CC3)cc2)c(C(=O)N2CC(c3nc(-c4ncccn4)no3)C2)c1,LCHKUSKALLPIHO-UHFFFAOYSA-N
-rxn:4:221171:223650,CCc1ncnc(N2CCCC(COc3ncc(-c4ccccc4N4CCN(C(=O)OC(C)(C)C)CC4)cn3)C2)c1F,FSGNPFXOMFVHOG-UHFFFAOYSA-N
-rxn:4:221172:222584,Cn1nc(C(=O)N2CCC(COc3ncc(-c4ccc(OCCCN5CCNCC5)c(F)c4)cn3)CC2)ccc1=O,PMTRAZUOPUFTNJ-UHFFFAOYSA-N
-rxn:4:221173:223595,Cn1nc(C(=O)N2CCCC(COc3ncc(-c4ccc(N5CCN(C(=O)OC(C)(C)C)CC5)c(F)c4)cn3)C2)ccc1=O,AYSNWDPSBNCYCX-UHFFFAOYSA-N
-rxn:4:221183:224759,Cc1nn(C)cc1CN1CCCC(COc2ncc(-c3cc(F)cc(C(=O)N4CCOCC4)c3)cn2)C1,QSZDDRGUMMKDKG-UHFFFAOYSA-N
-rxn:4:221202:223279,O=C(c1ccccc1-c1cnc(C2CCCN2)nc1)N1CCN(Cc2nncn2C2CCCCC2)CC1,IVSGMRGSNJYACW-UHFFFAOYSA-N
-rxn:4:221209:223179,CONC(=O)c1cc(-c2ccc(CCN3CCN(c4cc(N5CCOCC5)nc(C)n4)CC3)cc2)ccc1F,DTIVXNAWVTXKIQ-UHFFFAOYSA-N
-rxn:4:221209:226844,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3)CC2)n1,KMVSAHWPBDGPGJ-UHFFFAOYSA-N
-rxn:4:221227:222584,O=C(c1ccc2nccnc2c1)N1CCCC(COc2ncc(-c3ccc(OCCCN4CCNCC4)c(F)c3)cn2)C1,OABZVFJJFMNDKI-UHFFFAOYSA-N
-rxn:4:221229:224258,CC1CCCCN1C(=O)c1ccc(-c2cnc(OCC3CCCN(C(=O)c4cnc5ccccc5n4)C3)nc2)c(Cl)c1,SNZNBWXLYNLSGD-UHFFFAOYSA-N
-rxn:4:221250:226844,O=C(CN1CCCCC1)N1N=C(c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2)CC1c1nc2ccccc2[nH]1,PDTGBEBLTXJDPX-UHFFFAOYSA-N
-rxn:4:221253:223179,CONC(=O)c1cc(-c2ccc3c(n2)c(N2CCN(C(c4ccc(F)cc4)c4ccc(F)cc4)CC2)c([N+](=O)[O-])c(=O)n3C)ccc1F,FMLBQQWSDVPMFE-UHFFFAOYSA-N
-rxn:4:221253:226844,Cn1c(=O)c([N+](=O)[O-])c(N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c2nc(-c3ccnc(C(=O)C(F)(F)F)c3)ccc21,OFMYWALOZXIUEF-UHFFFAOYSA-N
-rxn:4:221371:223649,COc1ccnc(N2CCN(c3ncc(C(F)(F)F)cc3-c3cccc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)CC2)n1,ZAUZBQCJRFQRNU-UHFFFAOYSA-N
-rxn:4:221375:223602,Cn1cnc(N2CCCC(COc3ncc(-c4ccnc(N5CCN(C(=O)OC(C)(C)C)CC5)c4Cl)cn3)C2)cc1=O,FRLNKDXPQKCJOZ-UHFFFAOYSA-N
-rxn:4:221375:223812,Cn1cnc(N2CCCC(COc3ncc(-c4cc(F)cc(CN5CCC6(CC5)OCCO6)c4)cn3)C2)cc1=O,WPTUXRDVLQVIRC-UHFFFAOYSA-N
-rxn:4:221378:224267,CC(C)c1noc(C2CCN(c3ncc(-c4cccc(N5CCC6(CC5)OCCO6)c4)cc3C#N)CC2)n1,DKLIFCXUZGUBLM-UHFFFAOYSA-N
-rxn:4:221379:223581,COC(=O)c1cccc2cc(-c3cncc(C(=O)N4CCC(N(C)c5ncc(Cl)cn5)CC4)c3)n(C(=O)OC(C)(C)C)c12,JPDAWSPEMFIPMC-UHFFFAOYSA-N
-rxn:4:221380:226844,Cn1c(C(F)(F)F)nn(C2CCN(C(=O)c3cncc(-c4ccnc(C(=O)C(F)(F)F)c4)c3)CC2)c1=O,VCQCKNNNEADJOK-UHFFFAOYSA-N
-rxn:4:221392:223528,Cc1nc(C)c(F)c(OCC2CCN(c3ncc(-c4ccc(F)c(CN5CCN(C(=O)OC(C)(C)C)CC5)c4)cn3)CC2)n1,YBNARLODJZFSAJ-UHFFFAOYSA-N
-rxn:4:221393:226039,CCc1nn(S(=O)(=O)N(C)C)cc1-c1cncc(C(=O)N2CCCN(S(=O)(=O)c3cnn(C)c3)CC2)c1,AEGQFUNRCGYHKQ-UHFFFAOYSA-N
-rxn:4:221411:224992,Cn1nc(C2CCN(C(=O)c3cncc(-c4ccccc4CN4CCC(=O)CC4)c3)CC2)n(C2CC2)c1=O,FEOKJVRUNLCUNZ-UHFFFAOYSA-N
-rxn:4:221412:223788,Cc1nc(C)c(C)c(OCC2CCN(c3ncc(-c4ccc(OC5CN(C(=O)OC(C)(C)C)C5)cc4)cn3)CC2)n1,WVDZXQSDCUAZEF-UHFFFAOYSA-N
-rxn:4:221422:225881,O=C(c1cc(-c2ccc(C3CCOCC3)nc2F)ccc1Cl)N1CCN(c2ccc(N3CCOCC3)nn2)CC1,SVWBTUAAGJIILJ-UHFFFAOYSA-N
-rxn:4:221423:223084,OC1CCN(c2ncc(-c3ccccc3CN3CCN(c4ccc(N5CCOCC5)nn4)CC3)cn2)CC1,IFNDPBUMFJRUNZ-UHFFFAOYSA-N
-rxn:4:221428:226652,Cc1cc(-c2ccc(CN3CCN(c4ccc(N5CCOCC5)nn4)CC3)cc2)n(C2CCCCO2)n1,QWYOENOXQAQZEV-UHFFFAOYSA-N
-rxn:4:221433:226141,Cc1cc(N2CCCC2)nc(N2CCN(C(=O)c3ccc(-c4ccccc4OC4CCCC4)cc3)CC2)n1,HZTURGAQQWDKCO-UHFFFAOYSA-N
-rxn:4:221438:225160,CC1CCCCN1c1ccc(N2CCN(C(=O)c3ccc(-c4ccc(Cl)c(C(=O)N5CCCC5)c4)o3)CC2)nn1,PRDFRMXEQBOGRK-UHFFFAOYSA-N
-rxn:4:221443:226844,Cc1nc(N2CCOCC2)cc(N2CCN(Cc3cccc(-c4ccnc(C(=O)C(F)(F)F)c4)c3)CC2)n1,JWILCFSATWDODP-UHFFFAOYSA-N
-rxn:4:221445:223138,Cc1cc(N2CCN(Cc3cccc(-c4ccnc(C5CCNCC5)c4)c3)CC2)nc(N2CCOCC2)n1,FOUNBLRUZNTLTI-UHFFFAOYSA-N
-rxn:4:221446:225995,Cc1cc(N2CCOCC2)nc(N2CCN(Cc3ccc(-c4cc(C#N)ccc4OC(F)(F)F)cc3)CC2)n1,JATROZJYKWXGKU-UHFFFAOYSA-N
-rxn:4:221454:223279,O=C(c1ccccc1-c1cnc(C2CCCN2)nc1)N1CCN(c2ccc(N3CCCCCC3)nn2)CC1,OJFYSZCNJHZCIA-UHFFFAOYSA-N
-rxn:4:221456:226128,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C(=O)CC5CC5)cc4)cc3)CC2)n1,PYFHNHLJDCDEMQ-UHFFFAOYSA-N
-rxn:4:221498:223992,Cc1ccc(-c2c[nH]c3ncnc(N4CCN(C(=O)OC(C)(C)C)CC4)c23)cc1S(=O)(=O)N1CCN(C)CC1,VAQBNTLPWRGFHU-UHFFFAOYSA-N
-rxn:4:221498:224196,CCN1CCN(Cc2cc(F)cc(-c3c[nH]c4ncnc(N5CCN(C(=O)OC(C)(C)C)CC5)c34)c2)CC1,DUOVFHANTLMXND-UHFFFAOYSA-N
-rxn:4:221553:222546,CCCCn1c(=O)c2c(nc3n2CCCN3c2ccc(-c3ccc(OCCNC4CCCCC4)c(F)c3)cc2)n(C)c1=O,YUOMPRUBNQYZLS-UHFFFAOYSA-N
-rxn:4:221608:223776,CC(C)(C)OC(=O)N1CCOc2ccc(-c3cncc(C(=O)N4CCC(n5ccnn5)CC4)c3)cc2C1,YIOQBSXZOHDXOT-UHFFFAOYSA-N
-rxn:4:221642:226844,O=C1CN(C2CCN(c3ncc(-c4ccnc(C(=O)C(F)(F)F)c4)cn3)CC2)C(=O)N1C1CC1,HOCQWOLOTWTFSZ-UHFFFAOYSA-N
-rxn:4:221727:222895,CCCCS(=O)(=O)Nc1ccc(-c2cncc(C(=O)N3CCN(c4cc5c(nn4)CCCC5)CC3)c2)cc1,FTVXQBFBMJVWFQ-UHFFFAOYSA-N
-rxn:4:221779:223938,CC(C)(C)OC(=O)n1c(-c2ccc(S(=O)(=O)c3nnn4c3nc(N3CCC5(CC3)OCCO5)c3ccccc34)cc2)cc2cc(Cl)ccc21,OAANIUIVWUSJEB-UHFFFAOYSA-N
-rxn:4:221916:224359,CCc1noc(-c2cn(C3CCN(C(=O)Cc4ccc(-c5cc(C(=O)N(CC)CC)cc([N+](=O)[O-])c5)cc4)CC3)nn2)n1,HYUIFQBFRWWZJQ-UHFFFAOYSA-N
-rxn:4:221927:224604,CCOc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc7nc(C)n(C(C)(C)C)c7cc6F)cc5)no4)C3C2=O)cc1,NKMBSSFTCAYDFU-UHFFFAOYSA-N
-rxn:4:221933:222658,CN(C(=O)c1cncc(-c2cc(F)cc(C(=O)NC3CCCCC3)c2)c1)C1CN(c2nccnc2C#N)C1,DICWGEAORKUEEH-UHFFFAOYSA-N
-rxn:4:221965:224751,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(F)c(C(=O)N6CCOCC6)c5)cc4)CC3)nn2)CC1,KJQGCJNEYQSSTH-UHFFFAOYSA-N
-rxn:4:221967:223581,COC(=O)c1cccc2cc(-c3ccc(-n4nnc5c(=O)n(C(C(C)=O)C(=O)N(C)C)cnc54)cc3)n(C(=O)OC(C)(C)C)c12,OWDYWTNNNFVBDJ-UHFFFAOYSA-N
-rxn:4:221975:224412,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C(F)(C(F)(F)F)C(F)(F)F)cc6)cc5)no4)C3C2=O)cc1,YKRDJSRKOCVBPD-UHFFFAOYSA-N
-rxn:4:221980:225746,CC(C)(C)OC(=O)c1ncccc1-c1cncc(-c2nn3c(=O)cc(N4CCN(C(=O)OC(C)(C)C)CC4)nc3s2)c1,JAKBADKUFAEFJA-UHFFFAOYSA-N
-rxn:4:222021:224022,Cc1ncnc(N(C)CC2CCN(c3ncc(-c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)cn3)CC2)c1F,FWDJZMCARDIDJM-UHFFFAOYSA-N
-rxn:4:222039:223179,CONC(=O)c1cc(-c2ccc(-n3cnnn3)c(C(=O)N3CCN(C4CCS(=O)(=O)C4)CC3)c2)ccc1F,ZSPTVRWTNZSXMH-UHFFFAOYSA-N
-rxn:4:222039:223279,O=C(c1cc(-c2cnc(C3CCCN3)nc2)ccc1-n1cnnn1)N1CCN(C2CCS(=O)(=O)C2)CC1,WXELDRYZTVRPSM-UHFFFAOYSA-N
-rxn:4:222054:223874,Cc1cc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCN(C)CC5)nn4)CC3)o2)ccc1C(=O)OCc1ccccc1,GUXYMWHHWGOIJK-UHFFFAOYSA-N
-rxn:4:222056:224175,COc1ccc(C(=O)OCC(C)(C)C)c(-c2cnc(N3CCN(c4cc(C(C)(C)C)nc(C5CC5)n4)CC3)nc2)c1,ZZKDMEOFNFLIOS-UHFFFAOYSA-N
-rxn:4:222062:224601,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc5c(cnn5C5CCCCO5)c4)cc3)CC2)n1,KOHCHKCDOWSXMC-UHFFFAOYSA-N
-rxn:4:222084:222647,Cc1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccccc6)C(=O)C54)n3)cc2)c(C)cc1NC(=O)OC(C)(C)C,MBWMUSKZUBIIPK-UHFFFAOYSA-N
-rxn:4:222108:222776,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(CN7CCC(O)CC7)cc6F)cc5)no4)C3C2=O)cc1F,UIFCZZBNKIFKDK-UHFFFAOYSA-N
-rxn:4:222113:225325,CCOC(=O)c1cc(-c2ccc(-n3nnc4c(=O)n(CC(=O)N5CC(C)OC(C)C5)cnc43)cc2)cc([N+](=O)[O-])c1,HCCPPILZUOEMBZ-UHFFFAOYSA-N
-rxn:4:222126:225312,CN1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(-c3cnc(N4CCCN(C)CC4)nc3)cc2)CC1,KUPBEOCMKNKVCV-UHFFFAOYSA-N
-rxn:4:222131:222542,Cc1ccc(-c2ccc(-c3nnc4n(CCC(C)C)c5c(=O)n(C)c(=O)n(C)c5n34)cc2)cc1OCCCN1CCNCC1,RSEVFFKFLJPLEH-UHFFFAOYSA-N
-rxn:4:222143:226844,Cn1c(=O)n(CCN2CCCCC2)c(=O)c2c1nc1n2CCCN1c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1,HVBHQKRIUOUMFH-UHFFFAOYSA-N
-rxn:4:222192:222389,c1nc(N2CCN(c3nc(C4CC4)nc4c3CCC4)CC2)ncc1-c1cc(C2CCNCC2)nc(C2CCNCC2)c1,ZXFPPEGZIXWWKV-UHFFFAOYSA-N
-rxn:4:222210:223489,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CC(n5nccn5)C4)nc3)cc2)CC1,FDXVZXGCWAZGAX-UHFFFAOYSA-N
-rxn:4:222226:223953,COCCN1CCN(c2cc(F)cc(-c3cnc(N4CC5CN(c6ccc(C)nn6)CC5C4)nc3)c2)CC1,CHPYXBFEPJITCX-UHFFFAOYSA-N
-rxn:4:222331:225294,CCN1CCN(c2ncc(-c3cnc(N4CCN(c5nccc(N6CCOCC6)n5)CC4)nc3)cn2)CC1,WZKJWLQLRONMAU-UHFFFAOYSA-N
-rxn:4:222332:222812,CC(C)(C)OC(=O)Nc1cc(-c2cnc(N3CCN(c4cc(N5CCOCC5)ncn4)CC3)nc2)cnc1Cl,LEEQCNITMQTOMW-UHFFFAOYSA-N
-rxn:4:222360:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3cnc(N4CCN(c5ncnc6c5ncn6CCOC)CC4)nc3)c2)CC1,VASCNZUQCJGUKO-UHFFFAOYSA-N
-rxn:4:222363:223179,CONC(=O)c1cc(-c2cnc3nc(-c4ccc(N5CCN(C)CC5)cc4)[nH]c3c2N2CCN(Cc3cc(C)on3)CC2)ccc1F,QZOHUZXAOHUSCU-UHFFFAOYSA-N
-rxn:4:222363:226844,Cc1cc(CN2CCN(c3c(-c4ccnc(C(=O)C(F)(F)F)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,OEDIHHMKQMILCU-UHFFFAOYSA-N
-rxn:4:222370:223679,CCN1CCN(S(=O)(=O)c2c(C)cc(-c3cnc(N4CCN(c5cc(-n6cccn6)nc(C)n5)CC4)nc3)cc2C)CC1,QJUXKJYNVJPSEE-UHFFFAOYSA-N
-rxn:4:222389:184896,NOC(=O)c1cccc(CS(=O)(=O)c2ccc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)cc2)c1,HDAXEHRGRGXNMZ-UHFFFAOYSA-N
-rxn:4:222543:185350,CC(C)CS(=O)(=O)C1CCN(C(=O)c2cccc(-c3ccc(C4(NC(=O)OC(C)(C)C)CC4)cc3)c2)CC1,IYRNRMGBJZFYHJ-UHFFFAOYSA-N
-rxn:4:222723:214633,CC(=O)N1CCC(Oc2ncc(-c3cccc(NS(=O)(=O)N4CCOCC4)c3)cn2)CC1,MJHCMTAAUHQPJK-UHFFFAOYSA-N
-rxn:4:222744:185493,COC(=O)c1ccc2c(-c3ccccc3CNC(=O)OC(C)(C)C)cn(C(=O)OC(C)(C)C)c2c1,JNCLHMDBIVKVGT-UHFFFAOYSA-N
-rxn:4:223060:218589,N#Cc1ccc(S(=O)(=O)N2CCCC(COc3ncc(-c4cc(Cl)nc(C5CCNCC5)c4)cn3)C2)cc1,YMMKCUWNFVWPME-UHFFFAOYSA-N
-rxn:4:223080:185246,CC(C)NS(=O)(=O)c1ccc(-c2cccc(CC3C(=O)CCN3C(=O)OC(C)(C)C)c2)cc1,VBRAOBWFOSZHFF-UHFFFAOYSA-N
-rxn:4:223080:185412,CC(C)NS(=O)(=O)c1ccc(-c2cc(C3CCN(C(=O)OC(C)(C)C)C3)ccc2C2CC2)cc1,STBFZRLZTPEBCA-UHFFFAOYSA-N
-rxn:4:223090:219500,N#Cc1cc(-c2ccc3[nH]nc(C(F)(F)F)c3c2)cnc1N1CCCC(C(=O)N2CCSCC2)C1,JECKJKMEOQKZMH-UHFFFAOYSA-N
-rxn:4:223092:213910,CN(C)S(=O)(=O)Nc1cccc(-c2cccnc2OC2CCN(S(=O)(=O)N3CCOCC3)C2)c1,IPOHWQWCAGGXIE-UHFFFAOYSA-N
-rxn:4:223520:197927,CC(c1ccc(-c2ccc3c(c2)N(C(C)C)C(=O)C3(C)C)cc1)N1CCN(C(=O)OC(C)(C)C)CC1,MHCNXDSAPWQFPY-UHFFFAOYSA-N
-rxn:4:223520:209239,CC(c1ccc(-c2cncc(C3=NCCC3)c2)cc1)N1CCN(C(=O)OC(C)(C)C)CC1,FZJITXUBYJLSCU-UHFFFAOYSA-N
-rxn:4:223521:209239,CC(c1cccc(-c2cncc(C3=NCCC3)c2)c1)N1CCN(C(=O)OC(C)(C)C)CC1,JMSMHVSDVKCJLP-UHFFFAOYSA-N
-rxn:4:223570:199796,Cc1nn(C(C)(C)C)c(OC(=O)c2cc(-c3c(F)ncc4c3ccn4[Si](C(C)C)(C(C)C)C(C)C)ccc2Cl)c1Sc1ccccc1,PDSCDBBBNBRWKR-UHFFFAOYSA-N
-rxn:4:223570:204030,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3cccc(N4CCN(S(=O)(=O)C(C)C)CC4)c3)c(F)ncc21,WPVREZHDGDJTEL-UHFFFAOYSA-N
-rxn:4:223580:215097,COC(=O)c1ccc2c(c1)cc(-c1ncc3n1C(C)CN(C(=O)OC(C)(C)C)C3)n2C(=O)OC(C)(C)C,MERPLKJUUYLTSN-UHFFFAOYSA-N
-rxn:5:176856:225453:225394,COC(=O)c1cc(-c2cc(C3CCC3)cc(C3CC3)c2)cc(-c2cccc(SC3CCCCC3)c2)c1OC,JPDAVMKETIIBMS-UHFFFAOYSA-N
-rxn:5:176863:225498:225451,COC(=O)c1cc(-c2cc(C3CCCCC3)ccc2F)cc(OC)c1-c1ccc(SC2CCCCC2)cc1,MSMUXVVTJPAACK-UHFFFAOYSA-N
-rxn:5:177185:223018:223065,CC(C)OC(=O)c1cc(-c2ccc3c(c2)NC(=O)C(C)(C)O3)ccc1-c1ccc(N2CCNCC2)cc1F,APPAIKNKDJMAOD-UHFFFAOYSA-N
-rxn:5:177185:226661:222998,CC(C)OC(=O)c1cc(-c2cc(N3CCN(C)CC3)cs2)ccc1-c1cc(F)cc(C2CCCNC2)c1,PGJXHJIZGDFVOW-UHFFFAOYSA-N
-rxn:5:177189:223064:223056,CCOC(=O)c1c(-c2ccc(C3CCNCC3)nc2F)ccc(C)c1-c1ccc(N2CCC(O)CC2)nc1,LZLLNFZKXKTQLO-UHFFFAOYSA-N
-rxn:5:177189:223064:225636,CCOC(=O)c1c(-c2ccc(C3CCNCC3)nc2F)ccc(C)c1-c1ccnc(N2CCC(C)CC2)c1,QDKPVSRYQOQEQD-UHFFFAOYSA-N
-rxn:5:177190:223148:225805,CCS(=O)(=O)Cc1ccc(-c2ccc(C(C)N3CCOCC3)s2)c(-c2ccccc2C2CNCCO2)c1,UELRQOMMYPWYHQ-UHFFFAOYSA-N
-rxn:5:177190:226330:226571,CCS(=O)(=O)Cc1ccc(-c2cnn(CC3CCOCC3)c2)c(-c2ccc(C(C)N3CCCC3)s2)c1,AGDRBWIIOBOPEF-UHFFFAOYSA-N
-rxn:5:177191:222998:225603,N#CC1(c2cccc(-c3ccc(CC(=O)C4CC4)c(-c4cc(F)cc(C5CCCNC5)c4)c3)c2F)CCC1,SFADSSYMWUYBCI-UHFFFAOYSA-N
-rxn:5:177193:223064:225636,CCOC(=O)c1cc(C)c(-c2ccc(C3CCNCC3)nc2F)cc1-c1ccnc(N2CCC(C)CC2)c1,KDDVXJGEMQOZES-UHFFFAOYSA-N
-rxn:5:177731:225976:226794,CC(C)(C)OC(=O)c1ccc(-c2cnc(N3CCSCC3)nc2)cc1-c1ccnc(N2CCOCC2)c1F,OOMZCUFBYXXTMD-UHFFFAOYSA-N
-rxn:5:177731:225982:226794,CC(C)(C)OC(=O)c1ccc(-c2cnc(N3CCSCC3)nc2)cc1-c1cnc(N2CCOCC2)cc1F,VUXQZNYIRHOJMM-UHFFFAOYSA-N
-rxn:5:177731:226663:225976,CC(C)(C)OC(=O)c1ccc(-c2ccnc(N3CCOCC3)c2F)cc1-c1ccc(N2CCSCC2)nc1,DDYKBHAMEBKJJC-UHFFFAOYSA-N
-rxn:5:177733:226330:226422,CC(c1ccc(-c2cc(C(=O)OC(C)(C)C)cc(-c3cc(F)ccc3N3CCCC3)c2)s1)N1CCCC1,MTHXUUNCPOMNHC-UHFFFAOYSA-N
-rxn:5:177734:223132:226661,Cc1cc(-c2cccc(N3CCNCC3)c2)c(-c2cc(N3CCN(C)CC3)cs2)cc1C(=O)OC(C)C,JRINVHXFNGKTSM-UHFFFAOYSA-N
-rxn:5:177736:223061:225833,CC(C)(C)OC(=O)c1ccc(-c2ccnc(N3CCCCC3)c2F)c(-c2cc(C3CCNCC3)ncc2F)c1,HSRPAIVUUUGTHZ-UHFFFAOYSA-N
-rxn:5:177736:225450:226085,CC(C)(C)OC(=O)c1ccc(-c2ccc3c(c2)CCC(C)(C)O3)c(-c2ccc(C(=O)C3CCCC3)cc2)c1,BDABLRHVEJLUTD-UHFFFAOYSA-N
-rxn:5:177737:223065:226330,CC(c1ccc(-c2ccc(-c3ccc(N4CCNCC4)cc3F)c(C(=O)OC(C)(C)C)c2)s1)N1CCCC1,XZQSLCGZGCZERT-UHFFFAOYSA-N
-rxn:5:177737:225976:226794,CC(C)(C)OC(=O)c1cc(-c2cnc(N3CCSCC3)nc2)ccc1-c1ccnc(N2CCOCC2)c1F,VZBJMLYGAGGECS-UHFFFAOYSA-N
-rxn:5:177739:225638:226426,CC1CCN(c2ccc(-c3cccc(C(=O)OC(C)(C)C)c3-c3ccc(N4CCC(C)CC4)s3)cn2)CC1,SSNIDMGPJKUEMC-UHFFFAOYSA-N
-rxn:5:177739:226794:225833,CC(C)(C)OC(=O)c1cccc(-c2cnc(N3CCSCC3)nc2)c1-c1ccnc(N2CCCCC2)c1F,BWUKDNCPKAXHIF-UHFFFAOYSA-N
-rxn:5:177851:222989:227710,CCOc1c(-c2ccc(OS(C)(=O)=O)cc2)cc(C2OCCO2)cc1-c1ccc(N2CCNCC2)cc1C,KRWLATMERGNEKC-UHFFFAOYSA-N
-rxn:5:177851:226587:226190,CCOc1c(-c2ccc(C3CCCC3)cc2F)cc(C2OCCO2)cc1-c1cnc(OC2CCC2)cc1F,HUGFQKVWLWNDOV-UHFFFAOYSA-N
-rxn:5:177891:226335:227437,N#Cc1cc(-c2ccccc2C(=O)SC2CS(=O)(=O)CC2c2ccnc(C3CCCO3)c2)ccc1C1COC1,IYGOGIOHNIIBAW-UHFFFAOYSA-N
-rxn:5:177891:226586:227103,O=C(SC1CS(=O)(=O)CC1c1sccc1C1CCCCC1)c1ccccc1-c1ccnc(OC2CCOC2)c1,ACYASVZHUWGBMY-UHFFFAOYSA-N
-rxn:5:177891:226649:227432,Cc1nc(C2COC2)ccc1C1CS(=O)(=O)CC1SC(=O)c1ccccc1-c1cccnc1N1CCOCC1,RMXCZANDPOWKPD-UHFFFAOYSA-N
-rxn:5:177891:227517:227126,O=C(SC1CS(=O)(=O)CC1c1ccc(C2CCOC2)cc1)c1ccccc1-c1ccc(OC2COC2)nc1,PWZHCDBFHUYHDR-UHFFFAOYSA-N
-rxn:5:177891:227517:228211,O=C(SC1CS(=O)(=O)CC1c1cc(N2CCCC2)cs1)c1ccccc1-c1ccc(OC2COC2)nc1,HKTNAISBXKJGEI-UHFFFAOYSA-N
-rxn:5:177891:227656:225784,O=C(SC1CS(=O)(=O)CC1c1ccc(CN2CCOCC2)nc1)c1ccccc1-c1cc(N2CCOCC2)cs1,OPPHISREJLRHMK-UHFFFAOYSA-N
-rxn:5:177891:227656:228136,O=C(SC1CS(=O)(=O)CC1c1ccc(OC2CC2)nc1)c1ccccc1-c1cc(N2CCOCC2)cs1,RAHSMGJQJIPETN-UHFFFAOYSA-N
-rxn:5:178118:222985:227505,Cc1nc(C2CCCNC2)ccc1-c1ccc(-c2ccc(/C=C/[N+](=O)[O-])cc2)cc1OCC1CCCCO1,WHLAXTAROFPHHF-BMRADRMJSA-N
-rxn:5:178119:223281:225978,Cc1cc(C(=O)OC(C)(C)C)cc(-c2ccc(C3(O)COC3)nc2)c1-c1ccc(N2CCOCC2)nc1F,BSWABBQTKHQKIE-UHFFFAOYSA-N
-rxn:5:178122:225498:227561,COc1cc(F)c(-c2cc(-c3cc(C4CCCCC4)ccc3F)ccc2COC2CCCCO2)cc1OC,POLYBQAUWXMVLB-UHFFFAOYSA-N
-rxn:5:178122:227507:222958,Cc1ccc(-c2cc(-c3cccc(C=C[N+](=O)[O-])c3)ccc2COC2CCCCO2)cc1C1CCNCC1,LYOXQUKYFUIDAX-UHFFFAOYSA-N
-rxn:5:178122:227568:225453,COc1cc(F)c(-c2ccc(COC3CCCCO3)c(-c3cccc(SC4CCCCC4)c3)c2)c(OC)c1,SHSXBLJQLOVBFF-UHFFFAOYSA-N
-rxn:5:178224:222988:227501,Cc1cc(-c2cc(OCC3CCCCC3)cc(-c3ccc(C=C[N+](=O)[O-])cc3)c2)cc(C2CCNCC2)n1,PHPAAMGIPHGEEK-UHFFFAOYSA-N
-rxn:5:178225:225407:227045,CC(C)(C)Sc1cccc(-c2c(OCC3CCCCC3)cccc2-c2ccc(C3CCCCCC3)cc2)c1,WVCXMCFHECMGCH-UHFFFAOYSA-N
-rxn:5:178226:226146:226464,COc1ccc2c(c1-c1cccc(OCC3CCCCC3)c1-c1ccc(SC3CCCC3)cc1)OCCO2,NEYYHMHLOCSJCP-UHFFFAOYSA-N
-rxn:5:178295:223284:228437,COC(=O)C1(c2cc(-c3ccc(C(F)F)cc3F)ccc2-c2ccc(NS(C)(=O)=O)cc2)CCC(=O)CC1,QSADUMBYAAPHHN-UHFFFAOYSA-N
-rxn:5:178295:223286:228182,COC(=O)C1(c2cc(-c3cccc(CC(F)F)c3)ccc2-c2cccc(NS(C)(=O)=O)c2)CCC(=O)CC1,RWTNMDWGQGSXSF-UHFFFAOYSA-N
-rxn:5:178295:225445:227922,CCc1cc(OC)ccc1-c1ccc(-c2ccccc2OC2CCCCC2)c(C2(C(=O)OC)CCC(=O)CC2)c1,RJGKORFJFASBDT-UHFFFAOYSA-N
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-rxn:5:178295:226190:227917,CCc1ccc(OC)c(-c2ccc(-c3ccc(C4CCCC4)cc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,MHABOSRTDPQHGQ-UHFFFAOYSA-N
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-rxn:5:178295:226710:228564,CCC(C)c1ccc(-c2ccc(-c3ccc(F)c([Si](C)(C)C)c3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)s1,FUWZZIPDNHCVNU-UHFFFAOYSA-N
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-rxn:5:178295:227068:227933,CCc1ccc(OC)cc1-c1ccc(-c2ccc(CC(C)C)cc2F)c(C2(C(=O)OC)CCC(=O)CC2)c1,VQBYPHHGULKEMV-UHFFFAOYSA-N
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-rxn:5:178295:227078:228268,COC(=O)C1(c2cc(-c3ccc(C)c(F)c3SC)ccc2-c2cc(OC)ccc2C2CC2)CCC(=O)CC1,KHAVLNJDZMCMLB-UHFFFAOYSA-N
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-rxn:5:178295:227117:228562,CCC(C)c1csc(-c2ccc(-c3cc(C4CC4)cc(C)c3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,FQXAEWYRLUMPOX-UHFFFAOYSA-N
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-rxn:5:178295:227529:227815,CCC(C)c1ccccc1-c1ccc(-c2ccc(C(=O)OC)cc2F)c(C2(C(=O)OC)CCC(=O)CC2)c1,KNHVGRDATVSHFE-UHFFFAOYSA-N
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-rxn:5:178295:227818:225407,CCC(C)c1cccc(-c2ccc(-c3ccc(C4CCCCCC4)cc3)cc2C2(C(=O)OC)CCC(=O)CC2)c1,DOBNNGRDQOTMGK-UHFFFAOYSA-N
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-rxn:5:178295:228518:226064,CC#Cc1ccc(-c2ccc(-c3ccc(C4CCCCC4)cc3)cc2C2(C(=O)OC)CCC(=O)CC2)cc1,XYMQHNSMJJDEDE-UHFFFAOYSA-N
-rxn:5:178295:228560:226068,CCSc1ccccc1-c1ccc(-c2c(C)cc(C(C)(C)C)cc2C)cc1C1(C(=O)OC)CCC(=O)CC1,AFIRWSUFLQUCFF-UHFFFAOYSA-N
-rxn:5:178295:228562:226748,CCC(C)c1csc(-c2ccc(-c3ccc(C(F)(F)F)cc3OC)cc2C2(C(=O)OC)CCC(=O)CC2)c1,DLLNUMQIBNZKQV-UHFFFAOYSA-N
-rxn:5:178295:228567:227059,CCC(C)c1sccc1-c1ccc(-c2ccc(OC)c(C(C)C)c2)cc1C1(C(=O)OC)CCC(=O)CC1,FWILGGIOPNPHOW-UHFFFAOYSA-N
-rxn:5:178295:228979:225498,CCc1ccccc1-c1ccc(-c2cc(C3CCCCC3)ccc2F)cc1C1(C(=O)OC)CCC(=O)CC1,UBCPGKHTXWADRL-UHFFFAOYSA-N
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-rxn:5:178314:226059:226062,CC(C)c1cc(-c2ccc(-c3ccc(C(C)C)cc3C(C)C)cc2O[Si](C)(C)C(C)(C)C)cc(C(C)C)c1,ZPPJTOSUOMJULH-UHFFFAOYSA-N
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-rxn:5:178467:222987:228245,CCOC(=O)C1=Cc2cc(-c3ccc(C(C)=O)c(F)c3)cc(-c3ccc(C4CCNCC4)nc3C)c2OC1,MDQBGMBPHMEZJI-UHFFFAOYSA-N
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-rxn:5:178467:223006:227020,CCOC(=O)C1=Cc2cc(-c3cncc(C#CC4CC4)c3)cc(-c3ccc(F)c(C4CCNCC4)c3)c2OC1,OHHLARMVKMVOLU-UHFFFAOYSA-N
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-rxn:5:178467:226395:223062,CCOC(=O)C1=Cc2cc(-c3cnc(C4CCNCC4)cc3F)cc(-c3cncc(N4CCCCC4)c3)c2OC1,QGIDEILATIYWOA-UHFFFAOYSA-N
-rxn:5:178467:226424:228974,CCOC(=O)C1=Cc2cc(-c3cnn(S(C)(=O)=O)c3)cc(-c3cc(N4CCCC(C)C4)cs3)c2OC1,AGXZUDQATZTXKY-UHFFFAOYSA-N
-rxn:5:178467:226679:223141,CCOC(=O)C1=Cc2cc(-c3cncc(C4CCNCC4)c3)cc(-c3cnc(N4CCCC4)cc3F)c2OC1,JPPRSVSMUDXEFF-UHFFFAOYSA-N
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-rxn:5:178467:227376:223064,CCOC(=O)C1=Cc2cc(-c3ccc(C4CCNCC4)nc3F)cc(-c3cncc(N4CCCC4)c3)c2OC1,AGYWJUYPCSAYCC-UHFFFAOYSA-N
-rxn:5:178467:227379:226644,CCOC(=O)C1=Cc2cc(-c3cncc(N4CCOCC4)c3)cc(-c3cccnc3N3CCCC3)c2OC1,BSZSOVYKROALTN-UHFFFAOYSA-N
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-rxn:5:178467:228692:225794,CCOC(=O)C1=Cc2cc(-c3cnc(OC4CCCCC4)nc3)cc(-c3ccc(CN(C)C)s3)c2OC1,HGVKSMOQEWJXJY-UHFFFAOYSA-N
-rxn:5:178556:226139:225602,N#CC1(c2ccc(F)c(-c3ccc(-c4cc(C5CC5)cnc4C4CC4)c(COc4ccc5c(c4)C(=O)CCC5)c3)c2)CCC1,SPTVQGAAKHOION-UHFFFAOYSA-N
-rxn:5:178568:226331:225655,CC1CCN(c2cncc(-c3c(Cc4ccc(C5CC5)cc4)cc(-c4ccc(C5(C#N)CC5)cc4F)c4c3OCC4)c2)CC1,YFUXSYGMUDWEOP-UHFFFAOYSA-N
-rxn:5:179417:223054:225798,CCS(=O)(=O)c1ccc(-c2ccc(C(C)N3CCC(O)C3)s2)c(-c2ccc(OC3CCOCC3)nc2)c1,NVMYUEIRBMZBMZ-UHFFFAOYSA-N
-rxn:5:179418:225805:225456,CC(c1ccc(-c2cc(CS(C)(=O)=O)ccc2-c2ccc(C3CCN(C)CC3)cc2)s1)N1CCOCC1,VHXAMBXBGFJQBH-UHFFFAOYSA-N
-rxn:5:179629:225803:226583,COc1ccc(-c2ccnc(OC3CCOCC3)c2)c(S(C)(=O)=O)c1-c1ccc(CN2CCOCC2)s1,SBIDDTDFLFWJTA-UHFFFAOYSA-N
-rxn:5:180267:225499:225924,CSc1cc(C(C)(C)C)cc(-c2ccc(C3CCCCC3)cc2F)c1-c1ccc(S(=O)(=O)N(C)C)cc1C,SWESQFJJKFEXSH-UHFFFAOYSA-N
-rxn:5:180297:225808:227207,COc1cc(-c2cc(OC3CCCC3)ncc2F)c(C2(C)OCCO2)cc1-c1cccc2c1OCCC2=O,UIGWBMNFWZXKRU-UHFFFAOYSA-N
-rxn:5:180377:225407:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(C(C)C)c(-c2ccc(C3CCCCCC3)cc2)c(C(C)C)c1,REEUTEYQZVSTBM-UHFFFAOYSA-N
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-rxn:5:180402:225466:227052,CC1CCCCN1c1ccc(-c2ccc(C(=O)C3CCCCC3)c(-c3ccc(SC(C)(C)C)cc3)c2)cc1,MYBTURLGLZZHMX-UHFFFAOYSA-N
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-rxn:5:180402:227045:225453,CC(C)(C)Sc1cccc(-c2ccc(C(=O)C3CCCCC3)c(-c3cccc(SC4CCCCC4)c3)c2)c1,OEYLFMBQYIDQKH-UHFFFAOYSA-N
-rxn:5:180421:225451:226059,CC(C)c1ccc(-c2ccc(CC3CCCCC3)cc2-c2ccc(SC3CCCCC3)cc2)c(C(C)C)c1,CKLXOCOAJSLQDV-UHFFFAOYSA-N
-rxn:5:180421:226182:225657,Cc1cc(-c2ccc(CC3CCCCC3)cc2-c2cccnc2C2CCCCC2)ccc1N1CCOCC1,KSLQKTOVVYXDCI-UHFFFAOYSA-N
-rxn:5:180422:225832:223186,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(CC2CCCCC2)cc1-c1cnn(C2CCCCO2)c1,ODIBUFZHUJNBNZ-UHFFFAOYSA-N
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-rxn:5:180602:225834:226644,COC(=O)C1Cc2cc(-c3cncc(N4CCOCC4)c3)cc(-c3cc(N4CCCCC4)ncc3F)c2O1,HZXNFGBUJCCWKG-UHFFFAOYSA-N
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-rxn:5:180662:223004:227770,COC(=O)C1=Cc2cc(-c3cnc(OC)c([N+](=O)[O-])c3)cc(-c3ccc(C4CCNCC4)c(F)c3)c2OC1,JMBCDKFMDOAXFY-UHFFFAOYSA-N
-rxn:5:180662:223062:227691,COC(=O)C1=Cc2cc(-c3ccc([N+](=O)[O-])c(OC)c3)cc(-c3cnc(C4CCNCC4)cc3F)c2OC1,PGHYZRHYYRSZBD-UHFFFAOYSA-N
-rxn:5:180662:223138:226148,COC(=O)C1=Cc2cc(-c3cccc(C#C[Si](C)(C)C)c3)cc(-c3ccnc(C4CCNCC4)c3)c2OC1,CVVRYIHNDPFRAF-UHFFFAOYSA-N
-rxn:5:180662:223138:226734,COC(=O)C1=Cc2cc(-c3cccc(S(=O)(=O)N(C)C)c3)cc(-c3ccnc(C4CCNCC4)c3)c2OC1,MBLSQWBQVSLFCG-UHFFFAOYSA-N
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-rxn:5:180662:223146:226144,COC(=O)C1=Cc2cc(-c3ccc(C#C[Si](C)(C)C)cc3)cc(-c3cccc(C4CNCCO4)c3)c2OC1,VYVGGPDHNAEDLF-UHFFFAOYSA-N
-rxn:5:180662:226144:223139,COC(=O)C1=Cc2cc(-c3ccc(C4CCNCC4)nc3)cc(-c3ccc(C#C[Si](C)(C)C)cc3)c2OC1,PXOAQJAMBIEGOL-UHFFFAOYSA-N
-rxn:5:180662:226144:223140,COC(=O)C1=Cc2cc(-c3ccnc(C4CCCNC4)c3)cc(-c3ccc(C#C[Si](C)(C)C)cc3)c2OC1,JHNOJGOUZWNFGW-UHFFFAOYSA-N
-rxn:5:180662:226144:227386,COC(=O)C1=Cc2cc(-c3cnn(C4CCCCC4)c3)cc(-c3ccc(C#C[Si](C)(C)C)cc3)c2OC1,TYHYQIOPGUXUMB-UHFFFAOYSA-N
-rxn:5:180662:226148:227386,COC(=O)C1=Cc2cc(-c3cnn(C4CCCCC4)c3)cc(-c3cccc(C#C[Si](C)(C)C)c3)c2OC1,CDPOCNRQFCNDSS-UHFFFAOYSA-N
-rxn:5:181621:225439:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2cccc(C(C)N3CCCC3)c2)cc(C2OCCO2)c1,VGBVFXODMNIPIA-UHFFFAOYSA-N
-rxn:5:181621:225832:223064,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2ccc(C3CCNCC3)nc2F)cc(C2OCCO2)c1,NBLFSVATLURIOB-UHFFFAOYSA-N
-rxn:5:181628:225881:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2ccc(C3CCOCC3)nc2F)cc1C1OCCO1,JYAKGORPBDIKTO-UHFFFAOYSA-N
-rxn:5:181904:225407:225633,Cc1c(C2OCCO2)ccc(-c2ccc(C3CCCCCC3)cc2)c1-c1ccc(N2CCCCCC2)nc1,YUGJXYXLQZVKDD-UHFFFAOYSA-N
-rxn:5:181904:225683:222998,Cc1nc(C2CCCOC2)ccc1-c1ccc(C2OCCO2)c(C)c1-c1cc(F)cc(C2CCCNC2)c1,IHUWJAKFTHKPRU-UHFFFAOYSA-N
-rxn:5:181905:225394:225683,Cc1ccc(-c2ccc(C3CCCOC3)nc2C)c(C2OCCO2)c1-c1cc(C2CCC2)cc(C2CC2)c1,YHHDLFILIHJNRZ-UHFFFAOYSA-N
-rxn:5:181906:222980:225466,Cc1ccc(-c2ccc(CN3CCNCC3)cc2)c(C2OCCO2)c1-c1ccc(N2CCCCC2C)cc1,KBCGQSCWEIRTKR-UHFFFAOYSA-N
-rxn:5:181906:225451:225653,Cc1ccc(-c2ccc(SC3CCCCC3)cc2)c(C2OCCO2)c1-c1ccc(N2CCCCC2C)nc1,WRWBKPAEMMPXOU-UHFFFAOYSA-N
-rxn:5:181906:225607:226146,Cc1ccc(-c2ccc(C(C)N3CCCCC3)s2)c(C2OCCO2)c1-c1ccc(SC2CCCC2)cc1,JKDWGFIECDOWAE-UHFFFAOYSA-N
-rxn:5:181906:225832:226146,Cc1ccc(-c2c(C)nn(C3CCCCO3)c2C)c(C2OCCO2)c1-c1ccc(SC2CCCC2)cc1,FEZPVGJHTNAZGJ-UHFFFAOYSA-N
-rxn:5:181907:225453:226330,Cc1cc(-c2cccc(SC3CCCCC3)c2)c(-c2ccc(C(C)N3CCCC3)s2)c(C2OCCO2)c1,CECAWBBNEKICBZ-UHFFFAOYSA-N
-rxn:5:181907:225464:222985,Cc1cc(-c2cccc(N3CCCC(C)C3)c2)c(-c2ccc(C3CCCNC3)nc2C)c(C2OCCO2)c1,MTYQIQIAXNTWHW-UHFFFAOYSA-N
-rxn:5:181907:225470:222958,Cc1cc(-c2ccc(N3CCC(C)CC3)cc2)c(-c2ccc(C)c(C3CCNCC3)c2)c(C2OCCO2)c1,FUATUXYXOAGGFG-UHFFFAOYSA-N
-rxn:5:181907:225607:223148,Cc1cc(-c2ccc(C(C)N3CCCCC3)s2)c(-c2ccccc2C2CNCCO2)c(C2OCCO2)c1,BYWFBUIJWYMKAY-UHFFFAOYSA-N
-rxn:5:181907:225607:226644,Cc1cc(-c2ccc(C(C)N3CCCCC3)s2)c(-c2cncc(N3CCOCC3)c2)c(C2OCCO2)c1,RRADQBLRSZMSTE-UHFFFAOYSA-N
-rxn:5:181907:225636:225640,Cc1cc(-c2ccnc(N3CCC(C)CC3)c2)c(-c2ccnc(N3CCCCC3C)c2)c(C2OCCO2)c1,NTCGLFSLTXAIET-UHFFFAOYSA-N
-rxn:5:181907:225653:225633,Cc1cc(-c2ccc(N3CCCCC3C)nc2)c(-c2ccc(N3CCCCCC3)nc2)c(C2OCCO2)c1,ODNFGWAXMBORCT-UHFFFAOYSA-N
-rxn:5:181907:225683:222998,Cc1cc(-c2ccc(C3CCCOC3)nc2C)c(-c2cc(F)cc(C3CCCNC3)c2)c(C2OCCO2)c1,LTMNKAOHZLVALD-UHFFFAOYSA-N
-rxn:5:181907:225805:227119,Cc1cc(-c2ccc(C(C)N3CCOCC3)s2)c(-c2cc(C3CCCCC3)cs2)c(C2OCCO2)c1,GPPDXANOOSIPRA-UHFFFAOYSA-N
-rxn:5:181907:225881:225884,Cc1cc(-c2ccc(C3CCOCC3)nc2F)c(-c2ccc(C3COCCO3)c(F)c2)c(C2OCCO2)c1,ZJQTVXYZTLRJBM-UHFFFAOYSA-N
-rxn:5:181907:226130:225832,Cc1cc(-c2ccc(CN3CCCC3)cc2)c(-c2c(C)nn(C3CCCCO3)c2C)c(C2OCCO2)c1,WQSLERSFERIABO-UHFFFAOYSA-N
-rxn:5:181908:222959:222986,Cc1cc(-c2cc(C3OCCO3)c(C)cc2-c2ccc(C3CCNCC3)c(C)c2)cc(C2CCCNC2)n1,FBFLZLHGOZNCEV-UHFFFAOYSA-N
-rxn:5:181908:225407:225671,Cc1cc(-c2ccc(C3CCCCCC3)cc2)c(-c2cc(C3CCCCC3)ncc2F)cc1C1OCCO1,KLPIOCNWPWWRQE-UHFFFAOYSA-N
-rxn:5:181908:225438:225607,Cc1cc(-c2ccc(C(C)N3CCCC3)cc2)c(-c2ccc(C(C)N3CCCCC3)s2)cc1C1OCCO1,HYKWGIVYPYBDRH-UHFFFAOYSA-N
-rxn:5:181908:225451:225880,Cc1cc(-c2ccc(SC3CCCCC3)cc2)c(-c2cc(C3CCOCC3)ncc2F)cc1C1OCCO1,GXEUNQKIFYOBID-UHFFFAOYSA-N
-rxn:5:181908:225581:225683,Cc1cc(-c2ccc(CN3CCOCC3)cc2)c(-c2ccc(C3CCCOC3)nc2C)cc1C1OCCO1,YWRLLAJRPPFODX-UHFFFAOYSA-N
-rxn:5:181908:225638:226652,Cc1cc(-c2cc(C3OCCO3)c(C)cc2-c2ccc(N3CCC(C)CC3)nc2)n(C2CCCCO2)n1,SOSDSOHDSYBBIE-UHFFFAOYSA-N
-rxn:5:181908:225639:222981,Cc1cc(-c2cccnc2N2CCC(C)CC2)c(-c2ccnc(NC3CCCCC3)c2)cc1C1OCCO1,JLWYLYIMRWVYII-UHFFFAOYSA-N
-rxn:5:181908:225640:222958,Cc1ccc(-c2cc(C3OCCO3)c(C)cc2-c2ccnc(N3CCCCC3C)c2)cc1C1CCNCC1,JUZXMURXWCJRMF-UHFFFAOYSA-N
-rxn:5:181908:225656:225472,Cc1cc(-c2cncc(N3CCCCC3C)c2)c(-c2cccc(N3CCCCC3C)c2)cc1C1OCCO1,XMTSBAOSONIITQ-UHFFFAOYSA-N
-rxn:5:182009:222985:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(-c2ccc(C3CCCNC3)nc2C)c(C2CCOCC2)c1,KMBMKNWLSRIALL-UHFFFAOYSA-N
-rxn:5:182009:225641:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(-c2ccnc(N3CCCC(C)C3)c2)c(C2CCOCC2)c1,YZGJCQLMUWZROR-UHFFFAOYSA-N
-rxn:5:182010:225639:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(C2CCOCC2)c(-c2cccnc2N2CCC(C)CC2)c1,PNYSFAIKPIPROM-UHFFFAOYSA-N
-rxn:5:182010:226686:225683,Cc1cnn(C2CCCCO2)c1-c1cc(-c2ccc(C3CCCOC3)nc2C)ccc1C1CCOCC1,HDLOXZGGMJLYPJ-UHFFFAOYSA-N
-rxn:5:182012:222996:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2ccc(F)cc2C2CCCNC2)cc1C1CCCOC1,CNFFPBXDJBBHIM-UHFFFAOYSA-N
-rxn:5:183189:222998:226686,Cc1cnn(C2CCCCO2)c1-c1cc2c(c(-c3cc(F)cc(C4CCCNC4)c3)c1)OC(C)(C)OC2,UUNBEDGBHYUEDU-UHFFFAOYSA-N
-rxn:5:188867:225874:226662,CC(C)OC(=O)c1cc(-c2ccc(N3CCN(C)CC3)s2)ncc1-c1ccc(F)c(N2CCOCC2)c1,COEPOYKIZZWBOC-UHFFFAOYSA-N
-rxn:5:188868:225880:226662,CC(C)OC(=O)c1ccnc(-c2ccc(N3CCN(C)CC3)s2)c1-c1cc(C2CCOCC2)ncc1F,HTZDXVWPRWJLBG-UHFFFAOYSA-N
-rxn:5:188931:226047:226323,COC(=O)c1cc(-c2ccc(OC(F)(F)F)c(F)c2F)cc(S(N)(=O)=O)c1-c1ccc(OC2CCCC2)nc1,JRZBEILZWLJSEP-UHFFFAOYSA-N
-rxn:5:189001:225874:226679,COC(=O)C1(c2nc(-c3cnc(N4CCCC4)cc3F)ccc2-c2ccc(F)c(N3CCOCC3)c2)CC1,VMVMAEXURFIGNL-UHFFFAOYSA-N
-rxn:5:189001:225943:226679,COC(=O)C1(c2nc(-c3cnc(N4CCCC4)cc3F)ccc2-c2ccc(C(=O)N3CCOCC3)s2)CC1,IOCNUOAMGQFXBG-UHFFFAOYSA-N
-rxn:5:189001:225982:226679,COC(=O)C1(c2nc(-c3cnc(N4CCCC4)cc3F)ccc2-c2cnc(N3CCOCC3)cc2F)CC1,FRMWYYYDCBLXSH-UHFFFAOYSA-N
-rxn:5:189207:227351:226143,COC(=O)c1c(C)cccc1-c1ccc(-c2cc(C)c(OC(C)C)c(C)c2)c(C(=O)ON2C(=O)CCC2=O)c1,YZPPOXGQYPSRTN-UHFFFAOYSA-N
-rxn:5:189211:228827:223062,Cc1cc(F)c(F)cc1-c1cccc(C(=O)ON2C(=O)CCC2=O)c1-c1cnc(C2CCNCC2)cc1F,DOVXNPYCMNRBEM-UHFFFAOYSA-N
-rxn:5:189212:225607:227506,CC(c1ccc(-c2cc(C(=O)ON3C(=O)CCC3=O)ccc2-c2cccc(/C=C/[N+](=O)[O-])c2)s1)N1CCCCC1,IGCWBJFTSJMDTE-SAPNQHFASA-N
-rxn:5:189212:226919:225585,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccccc2CN2CCOCC2)c(-c2cccc(C3CCCC3)c2)c1,KPDJAIFUOKYCLX-UHFFFAOYSA-N
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-rxn:5:190231:228177:227045,COCc1ccc(F)cc1-c1cc(C(=O)N2CCOC(C)C2)cc(-c2cccc(SC(C)(C)C)c2)c1OC,IEUASONAVOEPND-UHFFFAOYSA-N
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-rxn:5:190265:225833:227899,CCC#Cc1cncc(-c2ccc(CC(=O)N3CCCC(C)C3)cc2-c2ccnc(N3CCCCC3)c2F)c1,HYEJPFVEFFTXJG-UHFFFAOYSA-N
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-rxn:5:190459:227322:227684,COc1c(-c2ccccc2C(=O)N2CCSC(c3ccccc3-c3cnn(CC4OCCO4)c3)CC2)cncc1C(C)C,MXIDCZURFWEDNC-UHFFFAOYSA-N
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-rxn:5:190484:226182:227830,CC1(c2ccc(-c3ccccc3C3CCN(C(=O)c4cccc(-c5cccnc5C5CCCCC5)c4)CCS3(=O)=O)cc2)CC1,GGMMPCFTKQQRJO-UHFFFAOYSA-N
-rxn:5:190484:226589:226959,CC(C)c1cnc(C(F)F)cc1-c1cccc(C(=O)N2CCC(c3ccccc3-c3ccc4c(c3)CC(C)(C)O4)S(=O)(=O)CC2)c1,YBVVIIHPYFFKMM-UHFFFAOYSA-N
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-rxn:5:190484:227038:227094,COc1ccc(C(C)C)cc1-c1cccc(C(=O)N2CCC(c3ccccc3-c3cnccc3C3CCCC3)S(=O)(=O)CC2)c1,AVPIYIJEMJLFRM-UHFFFAOYSA-N
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-rxn:5:190484:227964:226441,CC1(c2cncc(-c3cccc(C(=O)N4CCC(c5ccccc5-c5ccc(N6CCCC6)cc5F)S(=O)(=O)CC4)c3)c2)CC1,BLYUVRDANJNWSB-UHFFFAOYSA-N
-rxn:5:190484:227983:226176,C[Si](C)(C)c1ccccc1-c1cccc(C(=O)N2CCC(c3ccccc3-c3ccncc3C3CCCCC3)S(=O)(=O)CC2)c1,UKXZQVJTMINQAV-UHFFFAOYSA-N
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-rxn:5:190484:228510:226182,CC(C)c1ccccc1-c1cccc(C(=O)N2CCC(c3ccccc3-c3cccnc3C3CCCCC3)S(=O)(=O)CC2)c1,MYVLPZPYLBFUSM-UHFFFAOYSA-N
-rxn:5:190484:228520:226176,Cc1cc(C)c(-c2cccc(C(=O)N3CCC(c4ccccc4-c4ccncc4C4CCCCC4)S(=O)(=O)CC3)c2)cc1C,RJNYGUVFHSBXRK-UHFFFAOYSA-N
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-rxn:5:190833:223133:228395,COc1cc(F)c(F)cc1-c1ccc(-c2ccccc2N2CCNCC2)c2c1CN(C(=O)OC(C)(C)C)C2=O,WPYHQANFXPSIOD-UHFFFAOYSA-N
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-rxn:5:191049:228553:225590,CCSc1ccc(-c2ccc3c(c2)CN(c2cc(OC)c(-c4ccc(CN5CCCC5)c(F)c4)cc2OC)C(=O)CO3)cc1,SBYOAGLFDBRZTD-UHFFFAOYSA-N
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-rxn:5:193382:225987:223054,CC(c1ccc(-c2cc(-c3ccc(N4CCCS4(=O)=O)cc3)ccc2S(=O)(=O)N2CCOCC2)s1)N1CCC(O)C1,PPPYJYYZAKFART-UHFFFAOYSA-N
-rxn:5:193382:226411:222957,Cc1cc(-c2cc(-c3ccc(N4CCOCC4)cc3)ccc2S(=O)(=O)N2CCOCC2)cc(C2CCCNC2)c1,SDAXFNOVRLCOQT-UHFFFAOYSA-N
-rxn:5:193382:226649:225879,O=S(=O)(c1ccc(-c2cccnc2N2CCOCC2)cc1-c1ccc(N2CCOCC2)cc1F)N1CCOCC1,MWQRAWBAOOWUKT-UHFFFAOYSA-N
-rxn:5:193459:223105:227048,CNS(=O)(=O)c1cc(-c2cc(C(=O)N3CCCCC3)cc(-c3ccc(C(=O)C(C)C)cc3)c2)c(F)cc1C,DSOKCLZZKVWZAL-UHFFFAOYSA-N
-rxn:5:193462:225980:223201,O=C1CCN(Cc2cc(-c3cc(N4CCOCC4)ncc3F)ccc2-c2ccccc2C2CCNC2)CC1,NYOLJWHPEIURMY-UHFFFAOYSA-N
-rxn:5:193462:227052:225447,CC(C)(C)Sc1ccc(-c2ccc(-c3ccc(OC4CCCCC4)cc3)c(CN3CCC(=O)CC3)c2)cc1,NMXWCBWDYKLXCP-UHFFFAOYSA-N
-rxn:5:193463:227361:225499,COc1cc(-c2ccc(CN3CCC(=O)CC3)c(-c3ccc(C4CCCCC4)cc3F)c2)c(OC)cc1C,QULWEKJXDYZWBP-UHFFFAOYSA-N
-rxn:5:193464:222987:223058,Cc1nc(C2CCNCC2)ccc1-c1ccc(C2(C#N)CCCCC2)c(-c2cc(F)nc(C3CCCNC3)c2)c1,CDAIXYZDDQLRQE-UHFFFAOYSA-N
-rxn:5:193464:225395:223285,CC(C)(C)c1cc(-c2ccc(C3(C#N)CCCCC3)c(-c3ccccc3NS(C)(=O)=O)c2)cc(C2CC2)c1,QLZIOWFFAZAXAZ-UHFFFAOYSA-N
-rxn:5:193464:227348:225499,COc1ccc(-c2ccc(C3(C#N)CCCCC3)c(-c3ccc(C4CCCCC4)cc3F)c2)c(C)c1OC,VNTDSHKUQLAJCL-UHFFFAOYSA-N
-rxn:5:193506:226643:223011,CC(C)Oc1cc2cn[nH]c2cc1-c1cc(-c2ccc(N3CCOCC3)nc2)ccc1S(=O)(=O)N1CCC(=O)CC1,ALKBAHZNCHHXMU-UHFFFAOYSA-N
-rxn:5:193506:227285:226583,N#Cc1cnc(C2CC2)c(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3ccc(CN4CCOCC4)s3)c2)c1,QTFNMNYFXFWTTA-UHFFFAOYSA-N
-rxn:5:193537:223141:226686,Cc1cnn(C2CCCCO2)c1-c1cccc(CN2CCCCC2)c1-c1cncc(C2CCNCC2)c1,DLHLSRHQLDWJQC-UHFFFAOYSA-N
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-rxn:5:193755:226710:222415,CC1CCCN(C(=O)c2cccc(-c3ccc(F)c([Si](C)(C)C)c3F)c2-c2ccc(F)c(S(N)(=O)=O)c2)C1,QQPBWJUGZCGLQP-UHFFFAOYSA-N
-rxn:5:193755:226762:223286,CSc1cc(-c2cccc(C(=O)N3CCCC(C)C3)c2-c2cccc(NS(C)(=O)=O)c2)cc(C(F)(F)F)c1,VSNMHXSVWQEDGB-UHFFFAOYSA-N
-rxn:5:193756:225591:225940,CC1CCCCN1C(=O)c1ccc(-c2cc(CN3CCCC3)ccc2F)cc1-c1cc(C(F)(F)F)cnc1C1CC1,XNNGVZNLJUBCPH-UHFFFAOYSA-N
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-rxn:5:193756:225806:225819,CC1CCCCN1C(=O)c1ccc(-c2cnc(OC3CCCC3)cc2F)cc1-c1cc(C(F)(F)F)ccc1C1CC1,WHASZLJOKBLUPJ-UHFFFAOYSA-N
-rxn:5:193756:225886:225438,CC(c1ccc(-c2cc(-c3ccc4c(ccn4S(C)(=O)=O)c3)ccc2C(=O)N2CCCCC2C)cc1)N1CCCC1,URFTYWVHGIRBPO-UHFFFAOYSA-N
-rxn:5:193756:226176:226374,CC1CCCCN1C(=O)c1ccc(-c2ccncc2C2CCCCC2)cc1-c1cncnc1C1CCCCC1,LXQQJOKVWQBGHX-UHFFFAOYSA-N
-rxn:5:193756:226183:225849,CC1CCCCN1C(=O)c1ccc(-c2cnccc2C2CCCCC2)cc1-c1cnc(N2CCCCC2)cc1F,HMCCCKWOXOTZFY-UHFFFAOYSA-N
-rxn:5:193756:226374:226664,CC1CCCCN1C(=O)c1ccc(-c2cncnc2C2CCCCC2)cc1-c1cc(N2CCCC2)ncc1F,DDZASCKKAQQIAQ-UHFFFAOYSA-N
-rxn:5:193756:226732:225636,CC1CCN(c2cc(-c3cc(-c4ccc(C#N)c(C(F)(F)F)c4)ccc3C(=O)N3CCCCC3C)ccn2)CC1,DFRRDJPCVXFTKT-UHFFFAOYSA-N
-rxn:5:193756:227093:226745,CCc1ncc(C(F)(F)F)cc1-c1cc(-c2cccnc2C2CCCC2)ccc1C(=O)N1CCCCC1C,GZSMQQKIIGZVMR-UHFFFAOYSA-N
-rxn:5:193807:227390:225407,CC1CCN(Cc2cccc(-c3ccc(C4CCCCCC4)cc3)c2-c2ccnn2C2CCCCC2)CC1,UJZMHFLVKSUGCT-UHFFFAOYSA-N
-rxn:5:193866:225465:228621,CSc1cc(C)ccc1-c1cc(C2(N3CCC(=O)CC3)CC2)ccc1-c1cccc(C2CCN(C)CC2)c1,OJYOVVZEBZVLFU-UHFFFAOYSA-N
-rxn:5:193866:227587:225451,COc1cc(-c2ccc(C3(N4CCC(=O)CC4)CC3)cc2-c2ccc(SC3CCCCC3)cc2)cc(F)c1OC,ASSQFBCECZOEIK-UHFFFAOYSA-N
-rxn:5:193866:228005:226189,CSc1cc(C)c(-c2ccc(C3(N4CCC(=O)CC4)CC3)cc2-c2ccc(C3CCCC3)c(F)c2)cc1C,WRHOCLHOGKICKC-UHFFFAOYSA-N
-rxn:5:193867:226191:228184,COc1ccc(-c2cc(-c3cc(C4CCCC4)ccc3F)cc(C3(N4CCC(=O)CC4)CC3)c2)cc1SC,NUVKWXQAWUJKNY-UHFFFAOYSA-N
-rxn:5:193867:226215:227047,CO/N=C1\CCc2cc(-c3cc(-c4cccc(SC5CCC5)c4)cc(C4(N5CCC(=O)CC5)CC4)c3)ccc21,RFJQXUSKRXAANI-LAPDZXRHSA-N
-rxn:5:193867:227052:227199,CN1C(=O)Cc2ccc(-c3cc(-c4ccc(SC(C)(C)C)cc4)cc(C4(N5CCC(=O)CC5)CC4)c3)cc21,NVIZHNYXGWYKLA-UHFFFAOYSA-N
-rxn:5:193869:227025:227546,CCc1ncc(C2CC2)cc1-c1cc(C)c(-c2cccc(C(=O)OC)c2F)cc1S(=O)(=O)N1CCCCC1,NIEBDKVMWWLOCJ-UHFFFAOYSA-N
-rxn:5:193869:227052:226969,Cc1cc(-c2ccc(SC(C)(C)C)cc2)c(S(=O)(=O)N2CCCCC2)cc1-c1ccc2c(c1)CCCC2=O,FJUANZMXCARFHN-UHFFFAOYSA-N
-rxn:5:193869:228447:226444,Cc1cc(-c2cccc(C(F)F)c2F)c(S(=O)(=O)N2CCCCC2)cc1-c1ccc(C2CCCO2)nc1C,NMNWHNQUBBCFMZ-UHFFFAOYSA-N
-rxn:5:193870:228077:223141,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cncc(C3CCNCC3)c2)cc1-c1ccc2c(c1)C(=O)OC2,YFEBDLPFVOGFHE-UHFFFAOYSA-N
-rxn:5:193870:228808:225814,CSc1cc(F)cc(-c2cc(-c3cccc(C4(C(F)(F)F)CC4)c3)c(S(=O)(=O)N3CCCCC3)cc2C)c1,YUKMTTGBGAFGJR-UHFFFAOYSA-N
-rxn:5:193871:226061:225886,CC(C)c1cc(-c2cc(C(=O)N3CCC4(CC3)CC4)ccc2-c2ccc3c(ccn3S(C)(=O)=O)c2)cc(C2CC2)c1,QHTAVRQQJZAXRJ-UHFFFAOYSA-N
-rxn:5:193972:226058:226070,Cc1cc(-c2c(C(C)C)cccc2C(C)C)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc2c(ccn2C(C)C)c1,YWFZTDQDYRGDNR-UHFFFAOYSA-N
-rxn:5:193972:227827:227052,Cc1cc(-c2cc(C3CC3)ccc2C)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc(SC(C)(C)C)cc1,XROMXQUHVSRPCD-UHFFFAOYSA-N
-rxn:5:194058:223063:225805,CC(c1ccc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2cc(F)nc(C3CCNCC3)c2)s1)N1CCOCC1,ZIEDGDJNAXUQKC-UHFFFAOYSA-M
-rxn:5:194688:226644:226664,COc1cc(-c2cc(N3CCCC3)ncc2F)cc2c1OCC(=O)N(c1ccc(-c3cncc(N4CCOCC4)c3)cc1)C2,OYYZNVQODLJOLH-UHFFFAOYSA-N
-rxn:5:194733:226593:223304,Cc1cc2cc(-c3ccc(-c4c(F)ccc(OC(C)C)c4F)cc3C(=O)N3C4CCC3CC(=C3CC3)C4)ccc2[nH]1,XHHMBPOMKFFOQB-UHFFFAOYSA-N
-rxn:5:194733:228509:227082,CC(C)c1ccc(-c2ccc(-c3ccccc3N3CCCC3)c(C(=O)N3C4CCC3CC(=C3CC3)C4)c2)cc1,IMBDQBJUKGOXHG-UHFFFAOYSA-N
-rxn:5:194767:225849:226794,O=C1OC2(CCCN(C(=O)c3cc(-c4cnc(N5CCCCC5)cc4F)ccc3-c3cnc(N4CCSCC4)nc3)C2)c2ccccc21,JWZXRRDPHOAYJI-UHFFFAOYSA-N
-rxn:5:194767:225879:223422,O=C1OC2(CCCN(C(=O)c3cc(-c4ccc(N5CCOCC5)cc4F)ccc3-c3ccc(/C=N/O)cc3)C2)c2ccccc21,PFSQAYMZQJZDKF-NNLKUIAGSA-N
-rxn:5:194767:225978:227316,CC(C)Cc1cc(-c2ccc(-c3ccc(N4CCOCC4)nc3F)cc2C(=O)N2CCCC3(C2)OC(=O)c2ccccc23)cc(F)n1,JHUGYXJEVJGEOA-UHFFFAOYSA-N
-rxn:5:194782:228276:225576,COc1c(-c2ccc(-c3ccc(N4CCCC4)c(C#N)c3)c(C(=O)N3CCC4(CC3)CC(=O)c3ccccc3O4)c2)ccc(F)c1C,BDSFZCLGCHDXQC-UHFFFAOYSA-N
-rxn:5:194782:228487:226884,O=C1CC2(CCN(C(=O)c3cc(-c4cccc(F)c4[N+](=O)[O-])ccc3-c3c(F)cc(C(F)(F)F)cc3F)CC2)Oc2ccccc21,AZCGIOCBIOFTLO-UHFFFAOYSA-N
-rxn:5:194786:225451:225451,CC1(C)CC(=O)c2cc(-c3ccc(-c4ccc(SC5CCCCC5)cc4)cc3)n(-c3ccc(-c4ccc(SC5CCCCC5)cc4)cc3)c2C1,HJIMGKFEHIJAJU-UHFFFAOYSA-N
-rxn:5:196858:223186:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(C2CCOCC2)ncc1-c1cnn(C2CCCCO2)c1,MSTCELMTSVVGSP-UHFFFAOYSA-N
-rxn:5:196858:225638:225407,CC1CCN(c2ccc(-c3cnc(C4CCOCC4)cc3-c3ccc(C4CCCCCC4)cc3)cn2)CC1,DGBACXZSYKCYPH-UHFFFAOYSA-N
-rxn:5:196858:225832:226413,Cc1nn(C2CCCCO2)c(C)c1-c1cnc(C2CCOCC2)cc1-c1cccc(N2CCOCC2)c1,VTPRZLOWWVFULB-UHFFFAOYSA-N
-rxn:5:196858:226686:225585,Cc1cnn(C2CCCCO2)c1-c1cnc(C2CCOCC2)cc1-c1ccccc1CN1CCOCC1,MXTAXEKZTFFGQJ-UHFFFAOYSA-N
-rxn:5:196969:225633:226686,Cc1cnn(C2CCCCO2)c1-c1cc(C2CCCCC2)ncc1-c1ccc(N2CCCCCC2)nc1,JEPWBWUXNUMNAA-UHFFFAOYSA-N
-rxn:5:196969:225832:226183,Cc1nn(C2CCCCO2)c(C)c1-c1cnc(C2CCCCC2)cc1-c1cnccc1C1CCCCC1,BZDGNFVMWNJNIL-UHFFFAOYSA-N
-rxn:5:196971:225881:225880,Fc1cnc(C2CCOCC2)cc1-c1cc(-c2ccc(C3CCOCC3)nc2F)ncc1C1CCCCC1,UNSXTSVVHLPBLP-UHFFFAOYSA-N
-rxn:5:196971:226064:225607,CC(c1ccc(-c2cc(-c3ccc(C4CCCCC4)cc3)ncc2C2CCCCC2)s1)N1CCCCC1,KMZITORKPCEAOV-UHFFFAOYSA-N
-rxn:5:197876:225407:226079,CC(C)c1ccc2sc(-c3cc4c(cc3-c3ccc(C5CCCCCC5)cc3)S(=O)(=O)N(C(C)(C)C)C4=O)cc2c1,DDZDUWAGEWNFDQ-UHFFFAOYSA-N
-rxn:5:197876:225453:228003,CSc1cc(C)c(-c2cc3c(cc2-c2cccc(SC4CCCCC4)c2)S(=O)(=O)N(C(C)(C)C)C3=O)c(C)c1,CYOSWXKVOIYTRX-UHFFFAOYSA-N
-rxn:5:197876:226059:227076,CCC(C)c1ccc(F)c(-c2cc3c(cc2-c2ccc(C(C)C)cc2C(C)C)S(=O)(=O)N(C(C)(C)C)C3=O)c1,ZBXXYYRCGSLWGY-UHFFFAOYSA-N
-rxn:5:197876:226067:227971,CC(C)(C)c1ccncc1-c1cc2c(cc1-c1ccc(C3=CCCCC3)cc1)S(=O)(=O)N(C(C)(C)C)C2=O,KNSYCHDELLFRTC-UHFFFAOYSA-N
-rxn:5:197876:226176:228342,CC(C)(C)N1C(=O)c2cc(-c3cccc(OC(F)F)c3)c(-c3ccncc3C3CCCCC3)cc2S1(=O)=O,AGIHLQIKNKPSCF-UHFFFAOYSA-N
-rxn:5:197876:226191:227113,Cc1cc(F)c(C2CC2)cc1-c1cc2c(cc1-c1cc(C3CCCC3)ccc1F)S(=O)(=O)N(C(C)(C)C)C2=O,MAEDFCUTABAVBH-UHFFFAOYSA-N
-rxn:5:197876:226437:227076,CCC(C)c1ccc(F)c(-c2cc3c(cc2-c2cc(C4CCCC4)ncc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,CJHDTZXCRKSAAC-UHFFFAOYSA-N
-rxn:5:197876:226438:227817,CC(C)Cc1ccccc1-c1cc2c(cc1-c1cnc(C3CCCC3)cc1F)S(=O)(=O)N(C(C)(C)C)C2=O,WJAONEVKCALMAJ-UHFFFAOYSA-N
-rxn:5:197876:226761:223203,CSc1ccc(-c2cc3c(cc2-c2cccc(C4(O)CCC4)c2)C(=O)N(C(C)(C)C)S3(=O)=O)c(C(F)(F)F)c1,IKMGTSMNDFWNOB-UHFFFAOYSA-N
-rxn:5:197876:226762:226129,CSc1cc(-c2cc3c(cc2-c2cccc(CN4CCCC4)c2)C(=O)N(C(C)(C)C)S3(=O)=O)cc(C(F)(F)F)c1,CCZBTRQVNWSDGZ-UHFFFAOYSA-N
-rxn:5:197876:227045:223202,CC(C)(C)Sc1cccc(-c2cc3c(cc2-c2ccc(C4(O)CCC4)cc2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,MSZFJVXBXNMPBT-UHFFFAOYSA-N
-rxn:5:197876:227045:225595,CC(C)(C)Sc1cccc(-c2cc3c(cc2-c2ccc(F)c(CN4CCCC4)c2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,BQNYDPFRXJIXHD-UHFFFAOYSA-N
-rxn:5:197876:227052:226920,Cc1ccc(C(C)(C)C)cc1-c1cc2c(cc1-c1ccc(SC(C)(C)C)cc1)S(=O)(=O)N(C(C)(C)C)C2=O,ANSSDZBDMLTTEA-UHFFFAOYSA-N
-rxn:5:197876:227102:226064,CC(C)(C)c1ccc(F)c(-c2cc3c(cc2-c2ccc(C4CCCCC4)cc2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,MTBYZOOVVDFUBS-UHFFFAOYSA-N
-rxn:5:197876:227315:227076,CCC(C)c1ccc(F)c(-c2cc3c(cc2-c2cnc(CC(C)C)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,PEYVFRZZFHVJEW-UHFFFAOYSA-N
-rxn:5:197876:227412:226067,CC(C)(C)c1cc(F)c(-c2cc3c(cc2-c2ccc(C4=CCCCC4)cc2)C(=O)N(C(C)(C)C)S3(=O)=O)cn1,ODNOMVNFAJEKPK-UHFFFAOYSA-N
-rxn:5:197876:227706:227077,CCC(C)c1ccc(-c2cc3c(cc2-c2cc(OC)cnc2C(F)F)S(=O)(=O)N(C(C)(C)C)C3=O)c(F)c1,KUQAIWIMKBRODT-UHFFFAOYSA-N
-rxn:5:197876:227717:226179,CC(C)(C)N1C(=O)c2cc(-c3cncc(C4CCCCC4)c3)c(-c3ccc(F)cc3OC(F)F)cc2S1(=O)=O,GKIXQIBLWXJJKR-UHFFFAOYSA-N
-rxn:5:197876:227830:226844,CC1(c2ccc(-c3cc4c(cc3-c3ccnc(C(=O)C(F)(F)F)c3)C(=O)N(C(C)(C)C)S4(=O)=O)cc2)CC1,FSWSWKVKNIAHNL-UHFFFAOYSA-N
-rxn:5:197876:227922:225451,CCc1cc(OC)ccc1-c1cc2c(cc1-c1ccc(SC3CCCCC3)cc1)C(=O)N(C(C)(C)C)S2(=O)=O,ITFDEQAXBUBHDW-UHFFFAOYSA-N
-rxn:5:197876:228021:226069,CC(=O)c1cc(C)cc(-c2cc3c(cc2-c2cccc(C4CCCCC4)c2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,ACGTXGPHLDHZJO-UHFFFAOYSA-N
-rxn:5:197876:228292:222989,Cc1cc(N2CCNCC2)ccc1-c1cc2c(cc1-c1ccnc3c1OCCO3)S(=O)(=O)N(C(C)(C)C)C2=O,VTGXKIOQKIAVMB-UHFFFAOYSA-N
-rxn:5:197876:228562:226069,CCC(C)c1csc(-c2cc3c(cc2-c2cccc(C4CCCCC4)c2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,OVIQWYWXUUNGJF-UHFFFAOYSA-N
-rxn:5:197876:229169:225455,Cc1ccc(N2CCCCC2)cc1-c1cc2c(cc1-c1cscc1C(F)F)S(=O)(=O)N(C(C)(C)C)C2=O,HRKWAMRXMAKJSQ-UHFFFAOYSA-N
-rxn:5:227909:178295:227045,CCC(C)c1cc(-c2ccc(-c3cccc(SC(C)(C)C)c3)cc2C2(C(=O)OC)CCC(=O)CC2)ccn1,DNOQYBKFECLKMK-UHFFFAOYSA-N
-rxn:5:227918:178295:227052,COC(=O)C1(c2cc(-c3ccc(SC(C)(C)C)cc3)ccc2-c2ccc(SC3CC3)cc2)CCC(=O)CC1,AJMNNSNGGOGYHY-UHFFFAOYSA-N
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-rxn:4:173723:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc1,JBSNYWTYWLJMSC-UHFFFAOYSA-N
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-rxn:4:173723:222584,O=C(COS(=O)(=O)C(F)(F)F)c1ccc(-c2ccc(OCCCN3CCNCC3)c(F)c2)cc1,RIHMRHKTDYUWIO-UHFFFAOYSA-N
-rxn:4:173723:222585,O=C(COS(=O)(=O)C(F)(F)F)c1ccc(-c2ccccc2C(=O)NCCN2CCOCC2)cc1,ANCMVXVEARXQOY-UHFFFAOYSA-N
-rxn:4:173723:222588,O=C(COS(=O)(=O)C(F)(F)F)c1ccc(-c2ccc(OCCN3CCC(O)CC3)c(F)c2)cc1,MQTSSAZZZOUEAD-UHFFFAOYSA-N
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-rxn:4:173723:222598,Cc1cc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)cc(C)c1S(=O)(=O)NC1CCCC1,GQDJIKKBQZPIHJ-UHFFFAOYSA-N
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-rxn:4:173723:222603,COc1cc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)c(Cl)cc1NC(=O)OC(C)(C)C,TXBFXFIISBVIBU-UHFFFAOYSA-N
-rxn:4:173723:222604,COc1ccc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)cc1S(=O)(=O)NC1CCCC1,DUTHFDIRCQNHKA-UHFFFAOYSA-N
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-rxn:4:173723:222607,CS(=O)(=O)N1CCC(Nc2ccc(-c3ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc3)cc2)CC1,VRSBBZMNIHKNDE-UHFFFAOYSA-N
-rxn:4:173723:222610,CC(C)(C)OC(=O)Nc1cc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)cc([N+](=O)[O-])c1,GAVQMXHBCSJKIU-UHFFFAOYSA-N
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-rxn:4:173723:222613,CCCNS(=O)(=O)c1ccc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)c(C(F)(F)F)c1,GJCCOFCGHFKOLL-UHFFFAOYSA-N
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-rxn:4:173723:222615,CC(C)Cc1cc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)cc(C2CCNCC2)c1,HTEGVVTZKJMBCF-UHFFFAOYSA-N
-rxn:4:173723:222616,CC(C)(C)c1cc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)cc(C2CCNCC2)c1,QNXILULEEWEBOC-UHFFFAOYSA-N
-rxn:4:173723:222619,O=C(COS(=O)(=O)C(F)(F)F)c1ccc(-c2ccc(CNC(=O)C3CCCCC3)cc2)cc1,UIYQBKSNXASXMR-UHFFFAOYSA-N
-rxn:4:173723:222621,CC(C)Cc1cc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)cc(C2CCCNC2)n1,ROEXAQHPWKSJMA-UHFFFAOYSA-N
-rxn:4:173723:222622,CCC(C)c1cc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)cc(C2CCCNC2)n1,FWCJODJWZSESTC-UHFFFAOYSA-N
-rxn:4:173723:222623,CCC(C)c1cc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)cc(C2CCNCC2)n1,RUBCOXQARCBZLC-UHFFFAOYSA-N
-rxn:4:173723:222624,CC(C)Cc1cc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)cc(C2CCNCC2)n1,XMELVIOJMBORHJ-UHFFFAOYSA-N
-rxn:4:173723:222628,O=C(COS(=O)(=O)C(F)(F)F)c1ccc(-c2cc(C3CCC3)nc(C3CCCNC3)c2)cc1,PMXVJYDSSOOJJR-UHFFFAOYSA-N
-rxn:4:173723:222629,CC(C)(C)c1cc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)cc(C2CCCNC2)n1,PVVQYGJTQXAHBG-UHFFFAOYSA-N
-rxn:4:173723:222630,O=C(COS(=O)(=O)C(F)(F)F)c1ccc(-c2cc(C3CCC3)nc(C3CCNCC3)c2)cc1,JBXODBNOSGGZEO-UHFFFAOYSA-N
-rxn:4:173723:222631,CC(C)(C)c1cc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)cc(C2CCNCC2)n1,RVXKIIIIFBZLMA-UHFFFAOYSA-N
-rxn:4:173723:222632,O=C(COS(=O)(=O)C(F)(F)F)c1ccc(-c2cccc(C(=O)NCCN3CCCC3)c2)cc1,HUDAXVBJPHHYEE-UHFFFAOYSA-N
-rxn:4:173723:222633,O=C(COS(=O)(=O)C(F)(F)F)c1ccc(-c2ccc(C(=O)NCCN3CCCC3)cc2)cc1,ZSLOOTPRSXYPJY-UHFFFAOYSA-N
-rxn:4:173723:222634,O=C(COS(=O)(=O)C(F)(F)F)c1ccc(-c2ccc(OCCNC3CCCC3)c(F)c2)cc1,VRWOJZILSWBYGH-UHFFFAOYSA-N
-rxn:4:173723:222635,C[C@H](NC(=O)OC(C)(C)C)c1cccc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)c1,CYEDZCIAGIGIDF-AWEZNQCLSA-N
-rxn:4:173723:222636,C[C@@H](NC(=O)OC(C)(C)C)c1ccc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)cc1,QPQBAFPXIRFHGW-CQSZACIVSA-N
-rxn:4:173723:222637,CC(NC(=O)OC(C)(C)C)c1ccc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)cc1,QPQBAFPXIRFHGW-UHFFFAOYSA-N
-rxn:4:173723:222638,CC(NC(=O)OC(C)(C)C)c1cccc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)c1,CYEDZCIAGIGIDF-UHFFFAOYSA-N
-rxn:4:173723:222639,C[C@H](NC(=O)OC(C)(C)C)c1ccc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)cc1,QPQBAFPXIRFHGW-AWEZNQCLSA-N
-rxn:4:173723:222645,O=C(COS(=O)(=O)C(F)(F)F)c1ccc(-c2cccc(OCCN3CCC(O)CC3)c2)cc1,YHYJSIKSVPNXFQ-UHFFFAOYSA-N
-rxn:4:173723:222646,Cc1cc(NC(=O)OC(C)(C)C)cc(C)c1-c1ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc1,DIIWUOMOXRGHQT-UHFFFAOYSA-N
-rxn:4:173723:222647,Cc1cc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)c(C)cc1NC(=O)OC(C)(C)C,HYYFFZHFUNCVTF-UHFFFAOYSA-N
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-rxn:4:173723:223970,Cc1ccc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)cc1S(=O)(=O)N1CCC(C)CC1,QHGZZPCQOLDVFH-UHFFFAOYSA-N
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-rxn:4:173723:224177,CC(C)COc1cc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)cc(Cl)c1OC(C)C,QHJGMPXFVNXWAS-UHFFFAOYSA-N
-rxn:4:173723:224178,CN1CCN(CCOc2cccc(-c3ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc3)c2)CC1,ACEPLMROKCZNCD-UHFFFAOYSA-N
-rxn:4:173723:224179,CN1CCN(CCOc2ccc(-c3ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc3)cc2)CC1,ZPPCIIWEBCKFFW-UHFFFAOYSA-N
-rxn:4:173723:224180,CN1CCN(CCOc2ccccc2-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)CC1,BSCDQXQKEHTLQG-UHFFFAOYSA-N
-rxn:4:173723:224187,O=C(COS(=O)(=O)C(F)(F)F)c1ccc(-c2ccc(OCCN3CCCCC3)cc2F)cc1,IOQWGJJCUGPEDJ-UHFFFAOYSA-N
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-rxn:4:173723:224189,COc1cc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)ccc1O[Si](C)(C)C(C)(C)C,XAJTZRNJAFCEMP-UHFFFAOYSA-N
-rxn:4:173723:224190,COc1ccc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)cc1O[Si](C)(C)C(C)(C)C,VXFVNSAAQMDUOR-UHFFFAOYSA-N
-rxn:4:173723:224191,COc1ccc(O[Si](C)(C)C(C)(C)C)cc1-c1ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc1,TZSCSUMKNIEIGS-UHFFFAOYSA-N
-rxn:4:173723:224192,CCN1CCN(Cc2ccc(F)cc2-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)CC1,UWTKRKHNZDRDLM-UHFFFAOYSA-N
-rxn:4:173723:224193,CCN1CCN(Cc2cc(-c3ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc3)ccc2F)CC1,ITJKJUQWJJGPCF-UHFFFAOYSA-N
-rxn:4:173723:224194,CCN1CCN(Cc2ccc(-c3ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc3)cc2Cl)CC1,GLBDRIOLEAQSEM-UHFFFAOYSA-N
-rxn:4:173723:224195,CCN1CCN(Cc2cc(-c3ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc3)ccc2Cl)CC1,MXNQWHAZPUKEEJ-UHFFFAOYSA-N
-rxn:4:173723:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc3)c2)CC1,IPORUSDDXCIOTO-UHFFFAOYSA-N
-rxn:4:173723:224198,CCN1CCN(Cc2ccc(-c3ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc3)c(F)c2)CC1,XQEBAEWZPDSOQE-UHFFFAOYSA-N
-rxn:4:173723:224199,CC(=O)N1CCN(Cc2ccc(-c3ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc3)cc2)CC1,RQFXGRDFLXXUFN-UHFFFAOYSA-N
-rxn:4:173723:224203,COc1cc(C(=O)N2CCCCC2)ccc1-c1ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc1,IKMZCVRLGQTPBD-UHFFFAOYSA-N
-rxn:4:173723:224244,CC1CCN(C(=O)c2cc(-c3ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc3)ccc2Cl)CC1,UFFWPYLMCRLBEF-UHFFFAOYSA-N
-rxn:4:173723:224246,CC1CCN(C(=O)c2ccc(-c3ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc3)cc2F)CC1,LFRZVEFDRPWGMK-UHFFFAOYSA-N
-rxn:4:173723:224249,CC1CCCN(C(=O)c2ccc(F)c(-c3ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc3)c2)C1,BSNLRLKJWFHLBW-UHFFFAOYSA-N
-rxn:4:173723:224250,CC1CCCCN1C(=O)c1ccc(F)c(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)c1,FQVFPQPWSODTCV-UHFFFAOYSA-N
-rxn:4:173723:224252,CC1CCCN(C(=O)c2ccc(-c3ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc3)cc2F)C1,DRWJIPMFLZIYOI-UHFFFAOYSA-N
-rxn:4:173723:224253,CC1CCCCN1C(=O)c1cc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)ccc1F,DYMJERZHZDJFCZ-UHFFFAOYSA-N
-rxn:4:173723:224255,CC1CCCN(C(=O)c2cc(F)cc(-c3ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc3)c2)C1,SYKDCXGMYTZSSU-UHFFFAOYSA-N
-rxn:4:173723:224256,CC1CCCCN1C(=O)c1cc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)ccc1Cl,HJLOAQPKLICZPV-UHFFFAOYSA-N
-rxn:4:173723:224265,O=C(COS(=O)(=O)C(F)(F)F)c1ccc(-c2cc(C3CCCCC3)cc(C(F)(F)F)c2)cc1,PQXCZUKRMSXLIW-UHFFFAOYSA-N
-rxn:4:173723:224280,CC(C)(C)OC(=O)N1CCc2sc(-c3ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc3)cc2C1,QCUDSPFCWCTDRL-UHFFFAOYSA-N
-rxn:4:173723:224283,CC(C)(C)Oc1ncc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)c(OC(C)(C)C)n1,NSRSLJFIRVXGQP-UHFFFAOYSA-N
-rxn:4:173723:224286,O=C(COS(=O)(=O)C(F)(F)F)c1ccc(-c2ccc(OCCN3CCOCC3)c(Cl)c2)cc1,LPZXXRFWLCNWKE-UHFFFAOYSA-N
-rxn:4:173723:224287,CCN(CC)S(=O)(=O)c1c(C)cc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)cc1C,XOWBVQSJTAIRLV-UHFFFAOYSA-N
-rxn:4:173723:224288,CN(C(=O)OC(C)(C)C)c1ccc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)c(Cl)c1,QDEFTQHIEKSXOF-UHFFFAOYSA-N
-rxn:4:173723:224289,CN(C(=O)OC(C)(C)C)c1ccc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)c(F)c1,PHPMYCNFMNMMPF-UHFFFAOYSA-N
-rxn:4:173723:224292,Cc1cc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)ccc1S(=O)(=O)OCC(C)(C)C,QCZADUKGXMKCFE-UHFFFAOYSA-N
-rxn:4:173723:224302,CC(C)(C)[Si](C)(C)Oc1c(Cl)ccc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)c1F,UDPRJPKTGPEPNF-UHFFFAOYSA-N
-rxn:4:173723:224303,CC(C)(C)[Si](C)(C)Oc1ccc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)c(F)c1F,RSUVMBCAOSLPGU-UHFFFAOYSA-N
-rxn:4:173723:224304,CC(C)(C)[Si](C)(C)Oc1ccc(F)c(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)c1Cl,JJJCDLATTYOAEC-UHFFFAOYSA-N
-rxn:4:173723:224305,CC(C)(C)[Si](C)(C)Oc1ccc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)c(F)c1Cl,YPOBRVYLNATAIO-UHFFFAOYSA-N
-rxn:4:173723:224306,O=C(COS(=O)(=O)C(F)(F)F)c1ccc(-c2ccc(C(F)(F)F)cc2OC2CCCC2)cc1,LVAYDCOJMMNILP-UHFFFAOYSA-N
-rxn:4:173723:224307,CC(C)(C)[Si](C)(C)Oc1cc(F)c(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)c(F)c1,HBPQRZWEFJKFNK-UHFFFAOYSA-N
-rxn:4:173723:224308,CC(C)(C)[Si](C)(C)Oc1cc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)cc(F)c1F,MDYGTUUEGRXAEV-UHFFFAOYSA-N
-rxn:4:173723:224309,CC(C)(C)[Si](C)(C)Oc1ccc(Cl)c(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)c1F,ZPBZAIAEYPPEDX-UHFFFAOYSA-N
-rxn:4:173723:224312,CN1CCN(C(=O)c2cc(-c3ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc3)ccc2F)CC1,JGOVBZXBAMFSBR-UHFFFAOYSA-N
-rxn:4:173723:224313,CN1CCN(C(=O)c2cc(-c3ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc3)ccc2Cl)CC1,PFBYFFZHRBXLFV-UHFFFAOYSA-N
-rxn:4:173723:224316,CN1CCN(C(=O)c2cc(F)cc(-c3ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc3)c2)CC1,BRHGYCYXQUOWSN-UHFFFAOYSA-N
-rxn:4:173723:224317,CN1CCN(C(=O)c2ccc(-c3ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc3)c(F)c2)CC1,UCRJPSUIRGSZMI-UHFFFAOYSA-N
-rxn:4:173723:224318,CN1CCN(C(=O)c2ccc(-c3ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc3)cc2F)CC1,QBOBLOKQXJJYFU-UHFFFAOYSA-N
-rxn:4:173723:224319,Cc1cc(S(=O)(=O)N2CCCCC2)ccc1-c1ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc1,IKXPKILTPWMMPO-UHFFFAOYSA-N
-rxn:4:173723:224320,Cc1ccc(S(=O)(=O)N2CCCCC2)cc1-c1ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc1,DAYKBLHEXLSXHS-UHFFFAOYSA-N
-rxn:4:173723:224321,CC1CCN(S(=O)(=O)c2cccc(-c3ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc3)c2)CC1,FIFKPAVMYTYIAB-UHFFFAOYSA-N
-rxn:4:173723:224322,CC1CCN(S(=O)(=O)c2ccc(-c3ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc3)cc2)CC1,DEWSGGZTPGPPCF-UHFFFAOYSA-N
-rxn:4:173723:224323,Cc1cc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)cc(C)c1S(=O)(=O)N1CCCC1,NEJLDNVCLZIIPS-UHFFFAOYSA-N
-rxn:4:173723:224324,O=C1CCN(C(=O)c2cc(-c3ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc3)ccc2F)CC1,OREDKRUVCIKHMD-UHFFFAOYSA-N
-rxn:4:173723:224325,CS(=O)(=O)N1CC=C(c2ccc(-c3ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc3)cc2)CC1,HVNXRKKEPMMPBR-UHFFFAOYSA-N
-rxn:4:173723:224326,Cc1cc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)ccc1S(=O)(=O)N1CCCCC1,MCXREFRSNYALIU-UHFFFAOYSA-N
-rxn:4:173723:224328,CC1CCCCN1S(=O)(=O)c1cccc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)c1,MZCMNOMEQWBVNN-UHFFFAOYSA-N
-rxn:4:173723:224329,O=C1CCN(C(=O)c2ccc(-c3ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc3)cc2F)CC1,VLYZTPXHOIFGDE-UHFFFAOYSA-N
-rxn:4:173723:224330,O=C1CCN(C(=O)c2cc(-c3ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc3)ccc2Cl)CC1,ZCOWEWMRCPVGQW-UHFFFAOYSA-N
-rxn:4:173723:224336,O=C(COS(=O)(=O)C(F)(F)F)c1ccc(-c2ccc(N3CCCCC3)cc2C(F)(F)F)cc1,QEZGVVXCPWOMGX-UHFFFAOYSA-N
-rxn:4:173723:224337,O=C(COS(=O)(=O)C(F)(F)F)c1ccc(-c2cnc(C(F)(F)F)c(C3CCCCC3)c2)cc1,KOEFAIPXQCXFSL-UHFFFAOYSA-N
-rxn:4:173723:224349,O=C(COS(=O)(=O)C(F)(F)F)c1ccc(-c2ccc(N3CCCCC3)c(C(F)(F)F)c2)cc1,QCMAGIQVYABZIW-UHFFFAOYSA-N
-rxn:4:173723:224350,O=C(COS(=O)(=O)C(F)(F)F)c1ccc(-c2cnc(C3CCCCC3)c(C(F)(F)F)c2)cc1,LGTKUCVVBPDIFQ-UHFFFAOYSA-N
-rxn:4:173723:224355,O=C(COS(=O)(=O)C(F)(F)F)c1ccc(-c2ccc(N3CCC4(CC3)OCCO4)nc2)cc1,FBCRRGIPYBISAE-UHFFFAOYSA-N
-rxn:4:173723:224359,CCN(CC)C(=O)c1cc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)cc([N+](=O)[O-])c1,RTGBYPNUGSPVEU-UHFFFAOYSA-N
-rxn:4:173723:224360,COC(=O)c1ccc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)n1C(=O)OC(C)(C)C,SEBQCIGRNUTYRI-UHFFFAOYSA-N
-rxn:4:173723:224361,CCN(CC)S(=O)(=O)c1cc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)ccc1OC,ZHSNMTSODZOEIZ-UHFFFAOYSA-N
-rxn:4:173723:224362,CCN(CC)S(=O)(=O)c1ccc(OC)c(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)c1,AELIHPKXKNADEM-UHFFFAOYSA-N
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-rxn:4:173723:224364,CC(C)COc1cc(OC(F)(F)F)cc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)c1,UCCUUKSIYDHKOC-UHFFFAOYSA-N
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-rxn:4:173723:224367,CC(C)COc1cc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)ccc1OC(F)(F)F,KHRAYCDWSCRBPJ-UHFFFAOYSA-N
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-rxn:4:173723:224420,Cc1cc2c(cc1-c1ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc1)C(C)(C)CCC2(C)C,VPADVKGBVWCBCR-UHFFFAOYSA-N
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-rxn:4:173723:224423,CCC[C@H]1CC[C@H](c2ccc(-c3ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc3)cc2)CC1,HZMWMLMRXIMBAG-IYARVYRRSA-N
-rxn:4:173723:224424,CCCC1CCC(c2ccc(-c3ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc3)cc2)CC1,HZMWMLMRXIMBAG-UHFFFAOYSA-N
-rxn:4:173723:224425,CCCC1CCC(c2ccccc2-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)CC1,VJYROEJXLJVKFW-UHFFFAOYSA-N
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-rxn:4:173723:224431,Cc1cccc(CN(C(C)C)C(C)C)c1-c1ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc1,BORGIQYPQFWHMV-UHFFFAOYSA-N
-rxn:4:173723:224458,CC1CCN(C(C)c2ccc(-c3ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc3)cc2)CC1,KZJXPLMYVZVIKF-UHFFFAOYSA-N
-rxn:4:173723:224459,CC(C)(C)c1cc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)ccc1N1CCCC1,JNSKOGGRMPZQPZ-UHFFFAOYSA-N
-rxn:4:173723:224460,O=C(COS(=O)(=O)C(F)(F)F)c1ccc(-c2cc(C3CC3)cc(N3CCCCC3)c2)cc1,PRWBJTZNDLHVCY-UHFFFAOYSA-N
-rxn:4:173723:224462,O=C(COS(=O)(=O)C(F)(F)F)c1ccc(-c2ccc(C3CCN(C4CC4)CC3)cc2)cc1,JUTOLHCUCMYEAF-UHFFFAOYSA-N
-rxn:4:173723:224481,O=C(COS(=O)(=O)C(F)(F)F)c1ccc(-c2ccc(OCCCN3CCCC3)cc2)cc1,VIRXOUOMIDVQBT-UHFFFAOYSA-N
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-rxn:4:173723:224484,CC(C)N(C(=O)c1ccccc1-c1ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc1)C(C)C,CXTBBLHWNKIRIW-UHFFFAOYSA-N
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-rxn:4:173723:224486,CC(C)N(C(=O)c1cccc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)c1)C(C)C,VBIWJEXSXXTMSW-UHFFFAOYSA-N
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-rxn:4:173723:224488,CC(C)N(C(=O)c1ccc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)cc1)C(C)C,ZISISUQETOUZGQ-UHFFFAOYSA-N
-rxn:4:173723:224489,CC(C)N(Cc1ccc(F)cc1-c1ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc1)C(C)C,MGPZPXBWXDVRJC-UHFFFAOYSA-N
-rxn:4:173723:224490,O=C(COS(=O)(=O)C(F)(F)F)c1ccc(-c2ccccc2OCCN2CCCCC2)cc1,XUSNAIXERHBZOT-UHFFFAOYSA-N
-rxn:4:173723:224491,CC(C)N(Cc1cc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)ccc1F)C(C)C,JOVMNEMDNQOXHM-UHFFFAOYSA-N
-rxn:4:173723:224492,O=C(COS(=O)(=O)C(F)(F)F)c1ccc(-c2ccc(CCC(=O)N3CCCC3)cc2)cc1,GFRFDKGGKSICJL-UHFFFAOYSA-N
-rxn:4:173723:224494,O=C(COS(=O)(=O)C(F)(F)F)c1ccc(-c2ccc(CCOC3CCCCO3)cc2)cc1,CSNRDZVCNDXSIG-UHFFFAOYSA-N
-rxn:4:173723:224496,CCN1CCN(Cc2cccc(-c3ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc3)c2)CC1,WYKRALPDZWWAJV-UHFFFAOYSA-N
-rxn:4:173723:224497,CCN1CCN(Cc2ccc(-c3ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc3)cc2)CC1,YVXCODDKQQWEJD-UHFFFAOYSA-N
-rxn:4:173723:224498,CCN1CCN(Cc2ccccc2-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)CC1,MGHGHAOSWICBJH-UHFFFAOYSA-N
-rxn:4:173723:224501,CN1CCCCC1COc1ccc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)cc1,RKWGLMXOFSOSMO-UHFFFAOYSA-N
-rxn:4:173723:224502,CN1CCCCC1COc1cccc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)c1,XKTPVQQYGYCBQL-UHFFFAOYSA-N
-rxn:4:173723:224561,Cc1c(O[Si](C)(C)C(C)(C)C)cccc1-c1ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc1,LUTZFJBWGTVUBR-UHFFFAOYSA-N
-rxn:4:173723:224563,Cc1ccc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)c(O[Si](C)(C)C(C)(C)C)c1,OUTDBAQATWMUNF-UHFFFAOYSA-N
-rxn:4:173723:224566,COC(=O)C1(c2ccc(-c3ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc3)cc2)CCCC1,BYMCHXJFWOJXAF-UHFFFAOYSA-N
-rxn:4:173723:224569,O=C(COS(=O)(=O)C(F)(F)F)c1ccc(-c2cc(F)cc(OCC3CCCCC3)c2)cc1,QOMQECSLACNCHH-UHFFFAOYSA-N
-rxn:4:173723:224570,CC(c1ccc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)cc1)N1CCN(C)CC1,GNHINVHGMGTGRE-UHFFFAOYSA-N
-rxn:4:173723:224571,CC(C)N1CCN(c2ccc(-c3ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc3)cc2)CC1,YMRHATNGCBHGKQ-UHFFFAOYSA-N
-rxn:4:173723:224572,CC1CCCN(c2ccc(-c3ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc3)c(C#N)c2)C1,DUYQHEXTEFWGLE-UHFFFAOYSA-N
-rxn:4:173723:224575,CC1CCN(c2ccc(-c3ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc3)c(C#N)c2)CC1,KCLGKBRSBDEVKX-UHFFFAOYSA-N
-rxn:4:173723:224582,O=C(COS(=O)(=O)C(F)(F)F)c1ccc(-c2cccc(N3CCN(C4CC4)CC3)c2)cc1,GMPQNRQCBAIJQT-UHFFFAOYSA-N
-rxn:4:173723:224584,CC1CCN(C(=O)c2cccc(-c3ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc3)c2)CC1,QTOMZDMDVZYHDB-UHFFFAOYSA-N
-rxn:4:173723:224586,CC1CCN(Cc2ccc(F)cc2-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)CC1,QRQYTYJDDLKTSA-UHFFFAOYSA-N
-rxn:4:173723:224587,CC1CCN(Cc2ccc(-c3ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc3)cc2F)CC1,DHYFSODLLFDDNX-UHFFFAOYSA-N
-rxn:4:173723:224588,CC1CCN(Cc2cc(F)cc(-c3ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc3)c2)CC1,HGUYGOSJMWCHED-UHFFFAOYSA-N
-rxn:4:173723:224590,CC1CCN(Cc2ccc(-c3ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc3)c(F)c2)CC1,UMEOTYVQQFGRLH-UHFFFAOYSA-N
-rxn:4:173723:224591,CC1CCN(Cc2cc(-c3ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc3)ccc2Cl)CC1,UTCDXZSBCITXJA-UHFFFAOYSA-N
-rxn:4:173723:224592,N#CC1(c2ccc(F)c(-c3ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc3)c2)CCCCC1,YCTXSVWUPBSAMC-UHFFFAOYSA-N
-rxn:4:173723:224593,CC1CCN(Cc2cc(-c3ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc3)ccc2F)CC1,WXAJPFJGIREPDS-UHFFFAOYSA-N
-rxn:4:173723:224594,CC(=O)N1CCCCC1c1ccccc1-c1ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc1,JWJPEPZEQFWESQ-UHFFFAOYSA-N
-rxn:4:173723:224595,COc1cc(N2CCCC(C)C2)ccc1-c1ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc1,LUGFDTNFNQMRBM-UHFFFAOYSA-N
-rxn:4:173723:224596,COc1cc(N2CCCCC2C)ccc1-c1ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc1,BXVDQSZETHZROI-UHFFFAOYSA-N
-rxn:4:173723:224597,O=C(COS(=O)(=O)C(F)(F)F)c1ccc(-c2cc(C3CC3)cc(N3CCOCC3)c2)cc1,YYVDXMXYXBDCRN-UHFFFAOYSA-N
-rxn:4:173723:224598,COc1cc(N2CCC(C)CC2)ccc1-c1ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc1,KECWOVDICKPRHC-UHFFFAOYSA-N
-rxn:4:173723:224599,O=C(COS(=O)(=O)C(F)(F)F)c1ccc(-c2cc(C(=O)C3CCCCC3)ccc2F)cc1,LYXVXLCMJSTCMH-UHFFFAOYSA-N
-rxn:4:173723:224605,CCN(CC)C(=O)c1ccc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)c(OC)c1,YTLPJSUVHWKSJQ-UHFFFAOYSA-N
-rxn:4:173723:224606,CCCOc1cc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)cc(Cl)c1OC(C)C,XFPRSZYXLTZACG-UHFFFAOYSA-N
-rxn:4:173723:224607,C[Si](C)(C)CCOC(=O)c1ccc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)cc1,FSEANZHKOYNCKL-UHFFFAOYSA-N
-rxn:4:173723:224608,COC(=O)c1cc(OCC2CC2)cc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)c1,QIYVQMFGZHVAQO-UHFFFAOYSA-N
-rxn:4:173723:224609,CC(C)N(C(=O)c1ccncc1-c1ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc1)C(C)C,CWQFIFSWYZQGHE-UHFFFAOYSA-N
-rxn:4:173723:224613,CN(C(=O)OC(C)(C)C)c1cccc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)c1,NJISQCALXZHGDE-UHFFFAOYSA-N
-rxn:4:173723:224614,CN(C(=O)OC(C)(C)C)c1ccc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)cc1,SBNVWCNNIMBIFH-UHFFFAOYSA-N
-rxn:4:173723:224615,O=C(COS(=O)(=O)C(F)(F)F)c1ccc(-c2cccc(OCCN3CCOCC3)c2)cc1,MKFTXGNFSGPKAO-UHFFFAOYSA-N
-rxn:4:173723:224616,O=C(COS(=O)(=O)C(F)(F)F)c1ccc(-c2ccccc2OCCN2CCOCC2)cc1,OUTUODSESQOSDJ-UHFFFAOYSA-N
-rxn:4:173723:224617,O=C(COS(=O)(=O)C(F)(F)F)c1ccc(-c2ccc(OCCN3CCCC3)c(Cl)c2)cc1,XLKNJPVBBXUBNR-UHFFFAOYSA-N
-rxn:4:173723:224618,CC(C)(C)[Si](C)(C)OCc1cc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)ccn1,KTJMVLZHMQRUDL-UHFFFAOYSA-N
-rxn:4:173723:224619,O=C(COS(=O)(=O)C(F)(F)F)c1ccc(-c2ccc(OCCN3CCCC3)c(F)c2)cc1,TVZGODKVLXLLGQ-UHFFFAOYSA-N
-rxn:4:173723:224620,CC(C)(C)[Si](C)(C)OCc1ccc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)cn1,CWTUMFMGUZZHNK-UHFFFAOYSA-N
-rxn:4:173723:224621,O=C(COS(=O)(=O)C(F)(F)F)c1ccc(-c2ccc(OCCN3CCSCC3)cc2)cc1,FCULHSFNCUPJSW-UHFFFAOYSA-N
-rxn:4:173723:224623,COc1ccc(C(=O)OC(C)(C)C)c(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)c1,PSDKGCWCLSEVPC-UHFFFAOYSA-N
-rxn:4:173723:224624,CC(C)(C)COC(=O)c1ccc(Cl)cc1-c1ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc1,BLJQNXRTHCTLGP-UHFFFAOYSA-N
-rxn:4:173723:224625,CC(C)Oc1cc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)cc(Cl)c1OC(C)C,DXOBNYUWTAGZBI-UHFFFAOYSA-N
-rxn:4:173723:224627,CN(C)C1CN(C(=O)c2ccc(-c3ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc3)cc2)C1,LLVSVMVOVFLMLA-UHFFFAOYSA-N
-rxn:4:173723:224634,COc1ccc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)cc1CN1CCOCC1,GWGUTXSBQUOTJH-UHFFFAOYSA-N
-rxn:4:173723:224646,N#Cc1cc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)ccc1OC1CCOCC1,MNUROSLFMNNSFO-UHFFFAOYSA-N
-rxn:4:173723:224647,CC(C)(C)[Si](C)(C)Oc1ccc(F)c(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)c1,HCRKWJHLLIARHJ-UHFFFAOYSA-N
-rxn:4:173723:224648,CC(C)(C)[Si](C)(C)Oc1ccc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)c(Cl)c1,YKWRQIDEROTZRT-UHFFFAOYSA-N
-rxn:4:173723:224649,O=C(COS(=O)(=O)C(F)(F)F)c1ccc(-c2cc(F)ccc2OCC2CCCCO2)cc1,WBJVTFOSCPVKBS-UHFFFAOYSA-N
-rxn:4:173723:224650,O=C(COS(=O)(=O)C(F)(F)F)c1ccc(-c2cc(F)ccc2OCC2CCOCC2)cc1,SKXREORKCLAVSS-UHFFFAOYSA-N
-rxn:4:173723:224651,CC(C)(C)[Si](C)(C)Oc1cccc(F)c1-c1ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc1,FLIFXEFTYOUPAG-UHFFFAOYSA-N
-rxn:4:173723:224652,CC(C)(C)[Si](C)(C)Oc1cc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)ccc1Cl,HUOHJEUAFVPBKH-UHFFFAOYSA-N
-rxn:4:173723:224653,O=C(COS(=O)(=O)C(F)(F)F)c1ccc(-c2ccc(Cl)cc2OCC2CCCCO2)cc1,UQQSPVMTMLCJLZ-UHFFFAOYSA-N
-rxn:4:173723:224654,CC(C)(C)[Si](C)(C)Oc1cc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)ccc1F,BTCOIVMLZDUKNY-UHFFFAOYSA-N
-rxn:4:173723:224656,COc1ccc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)c(F)c1OC1CCCC1,WWSZHHYTXFLDTD-UHFFFAOYSA-N
-rxn:4:173723:224657,CC(C)(C)[Si](C)(C)Oc1cccc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)c1F,WFTBYNQFWABVAV-UHFFFAOYSA-N
-rxn:4:173723:224658,CC(=O)N1CCN(c2ccc(-c3ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc3)cc2)CC1,PEEIXUZHNYEGII-UHFFFAOYSA-N
-rxn:4:173723:224659,CN1CCN(C(=O)c2cccc(-c3ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc3)c2)CC1,OALQOKLAROLZED-UHFFFAOYSA-N
-rxn:4:173723:224660,CN1CCN(C(=O)c2ccc(-c3ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc3)cc2)CC1,UONZUNGDDXNFDU-UHFFFAOYSA-N
-rxn:4:173723:224662,CN1CCN(Cc2ccc(F)cc2-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)CC1,QZUGRGSPVXUIGY-UHFFFAOYSA-N
-rxn:4:173723:224663,CN1CCN(Cc2ccc(-c3ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc3)cc2F)CC1,BXIWQWSIZABXSY-UHFFFAOYSA-N
-rxn:4:173723:224664,CN1CCN(Cc2cc(F)cc(-c3ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc3)c2)CC1,OLLFSXAJUZHZPS-UHFFFAOYSA-N
-rxn:4:173723:224665,CN1CCN(Cc2cc(F)ccc2-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)CC1,CGAPRKGCKWRBNH-UHFFFAOYSA-N
-rxn:4:173723:224666,CN1CCN(Cc2cc(-c3ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc3)ccc2F)CC1,VCRJEILEIRPTBG-UHFFFAOYSA-N
-rxn:4:173723:224667,CN1CCN(Cc2cc(-c3ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc3)ccc2Cl)CC1,LHZNUECQFQOMTD-UHFFFAOYSA-N
-rxn:4:173723:224669,CN1CCN(Cc2ccc(-c3ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc3)c(F)c2)CC1,BKEOBOLOJCSWPA-UHFFFAOYSA-N
-rxn:4:173723:224670,CN1CCN(Cc2ccc(F)c(-c3ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc3)c2)CC1,LPSRKNMWKRCUHV-UHFFFAOYSA-N
-rxn:4:173723:224672,CCN1CCN(c2ccc(-c3ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc3)c(Cl)c2)CC1,ABCNSYAOLJNRNH-UHFFFAOYSA-N
-rxn:4:173723:224676,CN1CCN(C(=O)c2ccccc2-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)CC1,ZNBIPMWZRGIKQR-UHFFFAOYSA-N
-rxn:4:173723:224677,O=C(COS(=O)(=O)C(F)(F)F)c1ccc(-c2ccc(Cl)c(C(=O)N3CCCCC3)c2)cc1,FFKNZJJNRVHRPI-UHFFFAOYSA-N
-rxn:4:173723:224678,O=C(COS(=O)(=O)C(F)(F)F)c1ccc(-c2ccc(F)c(C(=O)N3CCCCC3)c2)cc1,BSAFGYXCQFOABD-UHFFFAOYSA-N
-rxn:4:173723:224679,O=C(COS(=O)(=O)C(F)(F)F)c1ccc(-c2cc(Cl)cc(C(=O)N3CCCCC3)c2)cc1,IQXBJXROWMUHGE-UHFFFAOYSA-N
-rxn:4:173723:224681,O=C(COS(=O)(=O)C(F)(F)F)c1ccc(-c2ccc(C(=O)N3CCCCC3)c(F)c2)cc1,RMFJNTMZHCTRHF-UHFFFAOYSA-N
-rxn:4:173723:224682,O=C(COS(=O)(=O)C(F)(F)F)c1ccc(-c2ccc(C(=O)N3CCCCC3)c(Cl)c2)cc1,VVBJAWLOGAUTBT-UHFFFAOYSA-N
-rxn:4:173723:224684,O=C1CCN(C(=O)c2ccc(-c3ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc3)cc2)CC1,STPLQMGBNKGJJO-UHFFFAOYSA-N
-rxn:4:173723:224685,O=C1CCN(C(=O)c2cccc(-c3ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc3)c2)CC1,JUERBNKFKWTLEQ-UHFFFAOYSA-N
-rxn:4:173723:224687,O=C1CCN(Cc2cc(F)cc(-c3ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc3)c2)CC1,STSOUVPLJMUQHA-UHFFFAOYSA-N
-rxn:4:173723:224688,O=C1CCN(Cc2ccc(-c3ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc3)cc2Cl)CC1,VAKCVTVVVHRKPX-UHFFFAOYSA-N
-rxn:4:173723:224689,O=C(COS(=O)(=O)C(F)(F)F)c1ccc(-c2ccc(C(=O)N3CCCCC3)cc2Cl)cc1,SEMTVNVNKFCTGB-UHFFFAOYSA-N
-rxn:4:173723:224690,O=C1CCN(Cc2ccc(-c3ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc3)c(F)c2)CC1,OWIBWGGELWAIPH-UHFFFAOYSA-N
-rxn:4:173723:224691,O=C(COS(=O)(=O)C(F)(F)F)c1ccc(-c2ccc(C(=O)N3CC4(COC4)C3)cc2)cc1,VOAHXSCKCWRHLV-UHFFFAOYSA-N
-rxn:4:173723:224702,Cc1c(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)cc(F)c(OC2CCCC2)c1F,MMSMIVXXBGNFCQ-UHFFFAOYSA-N
-rxn:4:173723:224703,O=C(COS(=O)(=O)C(F)(F)F)c1ccc(-c2cc(C3CCCC3)cc(C(F)(F)F)c2)cc1,HOXADOHHHIBGNF-UHFFFAOYSA-N
-rxn:4:173723:224704,CC1CCN(c2cc(-c3ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc3)cc(F)c2F)CC1,CQPXJMHRLSOSIV-UHFFFAOYSA-N
-rxn:4:173723:224705,CC1CCN(c2ccc(-c3ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc3)c(F)c2F)CC1,KRRMNWIXSCWOQO-UHFFFAOYSA-N
-rxn:4:173723:224710,CCCCOc1cc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)cc(C(F)(F)F)c1,NLJDLORKHCUNHT-UHFFFAOYSA-N
-rxn:4:173723:224712,CC(=O)OC(OC(C)=O)c1ccc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)cc1,QGPXIQXXAXWBPJ-UHFFFAOYSA-N
-rxn:4:173723:224713,CCCCOc1ccc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)c(C(F)(F)F)c1,ISTUGACDVVFZCT-UHFFFAOYSA-N
-rxn:4:173723:224714,CCCCOc1ccc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)cc1C(F)(F)F,MMJHMUYGALOFHH-UHFFFAOYSA-N
-rxn:4:173723:224719,CC(C)c1nn(C(=O)OC(C)(C)C)cc1-c1ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc1,PQRQLLUZNCHESM-UHFFFAOYSA-N
-rxn:4:173723:224721,Cc1nn(CC(=O)OC(C)(C)C)c(C)c1-c1ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc1,ZZSQMGQMRTZBCO-UHFFFAOYSA-N
-rxn:4:173723:224722,CN(C(=O)OC(C)(C)C)c1cc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)ccn1,NJLBTENNGCRMSJ-UHFFFAOYSA-N
-rxn:4:173723:224723,CCN(CC)S(=O)(=O)c1ccc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)c(C)c1,HTGBRKNVIUCGIY-UHFFFAOYSA-N
-rxn:4:173723:224724,CCN(CC)S(=O)(=O)c1ccc(C)c(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)c1,PUCXTHBDSKYOQS-UHFFFAOYSA-N
-rxn:4:173723:224725,CCN(CC)S(=O)(=O)c1cc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)ccc1C,OADRSSOGBSLFIK-UHFFFAOYSA-N
-rxn:4:173723:224726,CCN(CC)S(=O)(=O)c1ccc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)cc1C,YJUBMBKXBSTDRQ-UHFFFAOYSA-N
-rxn:4:173723:224727,COC(=O)c1cc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)cc(OC(C)(C)C)n1,YHJHDGWLIMBKLC-UHFFFAOYSA-N
-rxn:4:173723:224728,COc1cc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)c(C(=O)OC(C)(C)C)cn1,SPHGEWURCBMZOL-UHFFFAOYSA-N
-rxn:4:173723:224729,COc1nccc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)c1C(=O)OC(C)(C)C,FRVODJLOLLREQK-UHFFFAOYSA-N
-rxn:4:173723:224732,CC(C)(C)COS(=O)(=O)c1ccc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)cc1,LQNXSOJITCMSND-UHFFFAOYSA-N
-rxn:4:173723:224733,O=C(COS(=O)(=O)C(F)(F)F)c1ccc(-c2ccc(OC(F)F)c(OC3CCC3)c2)cc1,IOHBAHRJXLXFGK-UHFFFAOYSA-N
-rxn:4:173723:224737,CC(C)COc1ccc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)c(C(F)(F)F)c1,VPVKQDJFBKFQDM-UHFFFAOYSA-N
-rxn:4:173723:224742,COc1cc(OC)c(C2OCCO2)cc1-c1ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc1,MLIYEWPBRLXQEN-UHFFFAOYSA-N
-rxn:4:173723:224743,CC(C)(C)OC(=O)c1cc(F)c(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)c(F)c1,WLKHITUYTWJGHZ-UHFFFAOYSA-N
-rxn:4:173723:224744,CC(C)(C)OC(=O)c1cc(F)c(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)cc1Cl,HDMFMXKLZIHMEJ-UHFFFAOYSA-N
-rxn:4:173723:224745,CC(C)(C)OC(=O)c1cc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)c(F)cc1Cl,DXMSNTYHOBKFIU-UHFFFAOYSA-N
-rxn:4:173723:224746,CC(=O)N1CCN(c2ccc(-c3ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc3)cn2)CC1,DTCUXOFVWVCUOP-UHFFFAOYSA-N
-rxn:4:173723:224752,Cc1cc(S(=O)(=O)N2CCCC2)ccc1-c1ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc1,ARJCXFWQOIJTTQ-UHFFFAOYSA-N
-rxn:4:173723:224753,Cc1ccc(S(=O)(=O)N2CCCC2)cc1-c1ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc1,NPEAGJPHTRCJRP-UHFFFAOYSA-N
-rxn:4:173723:224754,O=C(COS(=O)(=O)C(F)(F)F)c1ccc(-c2ccccc2S(=O)(=O)N2CCCCC2)cc1,YSIZNQGORKGDLB-UHFFFAOYSA-N
-rxn:4:173723:224757,O=C(COS(=O)(=O)C(F)(F)F)c1ccc(-c2cc(Cl)cc(C(=O)N3CCOCC3)c2)cc1,OOLKISVRXGSJBJ-UHFFFAOYSA-N
-rxn:4:173723:224760,O=C(COS(=O)(=O)C(F)(F)F)c1ccc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1,IZOBXPRUPRIIQZ-UHFFFAOYSA-N
-rxn:4:173723:224761,O=C(COS(=O)(=O)C(F)(F)F)c1ccc(-c2cccc(S(=O)(=O)N3CCCCC3)c2)cc1,CWRQAFNDSWWVFU-UHFFFAOYSA-N
-rxn:4:173723:224762,O=C(COS(=O)(=O)C(F)(F)F)c1ccc(-c2ccc(C(=O)N3CCOCC3)c(F)c2)cc1,TUNGKDJGHUJHKU-UHFFFAOYSA-N
-rxn:4:173723:224763,O=C(COS(=O)(=O)C(F)(F)F)c1ccc(-c2cc(Cl)ccc2C(=O)N2CCOCC2)cc1,UQNVPMPYXMLPJE-UHFFFAOYSA-N
-rxn:4:173723:224764,O=C(COS(=O)(=O)C(F)(F)F)c1ccc(-c2ccc(C(=O)N3CCOCC3)cc2F)cc1,YEUIUQVQPUPENM-UHFFFAOYSA-N
-rxn:4:173723:224768,O=C(COS(=O)(=O)C(F)(F)F)c1ccc(-c2cc(F)c(C(=O)N3CCCC3)c(F)c2)cc1,OAJLAFALNHHJKA-UHFFFAOYSA-N
-rxn:4:173723:224769,O=C(COS(=O)(=O)C(F)(F)F)c1ccc(-c2ccc(N3CCCC3)cc2C(F)(F)F)cc1,IMSNRVWPGUECDT-UHFFFAOYSA-N
-rxn:4:173723:224770,Cc1cc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)cc(S(=O)(=O)N2CCCC2)c1,BRGAEKHECNEUBV-UHFFFAOYSA-N
-rxn:4:173723:224771,Cc1ccc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)cc1S(=O)(=O)N1CCCC1,JNVNKYOQLMLREU-UHFFFAOYSA-N
-rxn:4:173723:224772,O=C(COS(=O)(=O)C(F)(F)F)c1ccc(-c2ccc(C(=O)N3CCOCC3)cc2Cl)cc1,GPBVZYLNFBZCFQ-UHFFFAOYSA-N
-rxn:4:173723:224773,Cc1cc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)ccc1S(=O)(=O)N1CCCC1,QTWNFVZIPKLHJA-UHFFFAOYSA-N
-rxn:4:173723:224774,O=C(COS(=O)(=O)C(F)(F)F)c1ccc(-c2ccc(N3CCCC3)c(C(F)(F)F)c2)cc1,ZYUBMRYRTYNQLJ-UHFFFAOYSA-N
-rxn:4:173723:224775,O=C(COS(=O)(=O)C(F)(F)F)c1ccc(-c2cnc(C(F)(F)F)c(C3CCCC3)c2)cc1,BURUMWZLONELNU-UHFFFAOYSA-N
-rxn:4:173723:224780,O=C(COS(=O)(=O)C(F)(F)F)c1ccc(-c2ccc(C3CCOC3)c(C(F)(F)F)c2)cc1,LYBQTNAVLBFUKF-UHFFFAOYSA-N
-rxn:4:173723:224782,CN1CCN(c2cc(-c3ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc3)cc(F)c2F)CC1,VKQIOOMOOAMUJM-UHFFFAOYSA-N
-rxn:4:173723:224787,CCCCSc1ncc(C(F)(F)F)cc1-c1ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc1,CMEPPCXYKLXUMK-UHFFFAOYSA-N
-rxn:4:173723:224788,CCCCOc1ncc(C(F)(F)F)cc1-c1ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc1,CNTMRLVTFATURO-UHFFFAOYSA-N
-rxn:4:173723:224789,CCCOc1cc(OC(F)(F)F)cc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)c1,KAINSYCCSPYIBH-UHFFFAOYSA-N
-rxn:4:173723:224790,CCCOc1cc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)ccc1OC(F)(F)F,RKEXHNVWTFLUCK-UHFFFAOYSA-N
-rxn:4:173723:224791,CC(C)OC(=O)c1ccc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)c([N+](=O)[O-])c1,YLYGKRSMLDAKRO-UHFFFAOYSA-N
-rxn:4:173723:224792,CC(C)CSc1ncc(C(F)(F)F)cc1-c1ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc1,YVDXAFLESNUAGB-UHFFFAOYSA-N
-rxn:4:173723:224793,CC(C)COc1ncc(C(F)(F)F)cc1-c1ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc1,AQMMQVQDFWFBSQ-UHFFFAOYSA-N
-rxn:4:173723:224794,CCN(CC)S(=O)(=O)c1ccc(F)c(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)c1,STPXCKVAPHCMCE-UHFFFAOYSA-N
-rxn:4:173723:224795,CCN(CC)S(=O)(=O)c1cc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)ccc1F,IXJLXRGTBRAEOY-UHFFFAOYSA-N
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-rxn:4:173723:224799,CC(C)Oc1cc(OC(F)(F)F)cc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)c1,VPDZPLZDLGMABW-UHFFFAOYSA-N
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-rxn:4:173723:224801,CCCOc1cc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)cc(C(F)(F)F)c1F,GMZVKKULHKIGGU-UHFFFAOYSA-N
-rxn:4:173723:224803,CC(C)Oc1ccc(OC(F)(F)F)c(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)c1,OFMYBRHJSUGHHP-UHFFFAOYSA-N
-rxn:4:173723:224804,CC(C)Oc1ccc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)cc1OC(F)(F)F,QKFQNEQAMGBFNX-UHFFFAOYSA-N
-rxn:4:173723:224805,CCOC(=O)c1cc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)cc(C(F)(F)F)c1,MOMZHHZFMDKAAJ-UHFFFAOYSA-N
-rxn:4:173723:224806,CN(C1CC1)S(=O)(=O)c1ccc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)c(F)c1,ZXSZIWPFDVSKCI-UHFFFAOYSA-N
-rxn:4:173723:224810,O=C(COS(=O)(=O)C(F)(F)F)c1ccc(-c2cnc(N3CCCC3)c(C(F)(F)F)c2)cc1,FPNNNZFIDWXAKN-UHFFFAOYSA-N
-rxn:4:173723:224811,O=C(COS(=O)(=O)C(F)(F)F)c1ccc(-c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1,BXIUEGFCJXTFEG-UHFFFAOYSA-N
-rxn:4:173723:224817,O=C(COS(=O)(=O)C(F)(F)F)c1ccc(-c2ccccc2S(=O)(=O)N2CCOCC2)cc1,FHCLVXLLSZBRSR-UHFFFAOYSA-N
-rxn:4:173723:224818,O=C(COS(=O)(=O)C(F)(F)F)c1ccc(-c2ccc(S(=O)(=O)N3CCSCC3)cc2)cc1,MXXVWGVEBKLELJ-UHFFFAOYSA-N
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-rxn:4:173723:224826,CCOC(=O)c1cc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)cnc1C(F)(F)F,VKRNJZRUPIMBJF-UHFFFAOYSA-N
-rxn:4:173723:224827,COC(=O)c1ccc(OC(F)(F)F)cc1-c1ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc1,BWPJXTVQUHTXOS-UHFFFAOYSA-N
-rxn:4:173723:224828,CCOc1cc(OC(F)(F)F)cc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)c1F,AHICTSTYZQLCGF-UHFFFAOYSA-N
-rxn:4:173723:224829,COC(=O)c1ccc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)cc1OC(F)(F)F,KWNWCPJULGQILS-UHFFFAOYSA-N
-rxn:4:173723:224830,O=C(COS(=O)(=O)C(F)(F)F)c1ccc(-c2cc(C(F)(F)F)nn2C2CCCCO2)cc1,VOPNAMGGKGTLMK-UHFFFAOYSA-N
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-rxn:4:173723:224835,CN(C)S(=O)(=O)n1nc(C(F)(F)F)cc1-c1ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc1,HWXWLAVRAHOECV-UHFFFAOYSA-N
-rxn:4:173723:225114,CC(C)(C)[Si](C)(C)OCc1cc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)cs1,SHCOWFXXGJAVFQ-UHFFFAOYSA-N
-rxn:4:173723:225279,Cc1nn(C(=O)OC(C)(C)C)c(C)c1-c1ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc1,BWWFQWKISMWBJL-UHFFFAOYSA-N
-rxn:4:173723:225324,CC(C)CCn1cc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)c(C(F)(F)F)n1,SDDUEAUDIZVVPW-UHFFFAOYSA-N
-rxn:4:173723:225361,O=C(COS(=O)(=O)C(F)(F)F)c1ccc(-c2cn(C3CCCC3)nc2C(F)(F)F)cc1,PURWSPXRRZRELR-UHFFFAOYSA-N
-rxn:4:173770:223846,COC(=O)c1ccc(OCC(F)F)c(-c2cc(C)cc(C3CC4CCC3(C)C4(C)C)c2)c1,SXKVZULNBYQJRO-UHFFFAOYSA-N
-rxn:4:173802:226330,CC(c1ccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)s1)N1CCCC1,WZUAAMJYZUSSOO-UHFFFAOYSA-N
-rxn:4:173806:226844,O=C(c1cc(-c2cc(OC(C(F)(F)F)C(F)(F)F)ccc2C(F)(F)F)ccn1)C(F)(F)F,KAPPBSQDKNZTHQ-UHFFFAOYSA-N
-rxn:4:173807:223794,FC(F)(F)c1cc(-c2cccc(OC(C(F)(F)F)C(F)(F)F)c2C(F)(F)F)ccc1OCc1ccccc1,YTWLWJFWRFPNRT-UHFFFAOYSA-N
-rxn:4:173811:226844,O=C(c1cc(-c2ccc(OC(C(F)(F)F)C(F)(F)F)c(C(F)(F)F)c2)ccn1)C(F)(F)F,WPJLMWSMBKKSIP-UHFFFAOYSA-N
-rxn:4:174192:224721,CCOC(=O)CC1(c2cccc(-c3c(C)nn(CC(=O)OC(C)(C)C)c3C)c2)COC1,JUMNKUGZQZLHNL-UHFFFAOYSA-N
-rxn:4:174295:223777,CC(C)(C)OC(=O)N1CCc2c(ccc(-c3ccc(CCC(=O)c4ccc(C(F)(F)F)cc4)cc3)c2F)C1,BWQFOZZICQEJCZ-UHFFFAOYSA-N
-rxn:4:174369:223637,COc1ccc(C(=O)Oc2ccc(-c3ccccc3C3CCCN(C(=O)OC(C)(C)C)C3)cc2C(C)=O)cc1,ZSZZVNDPNMFOSA-UHFFFAOYSA-N
-rxn:4:174406:224589,COC(=O)C1(c2ccc(-c3ccc(F)cc3CN3CCC(C)CC3)cc2)CC(OC)(OC)C1,OBNVJMHABHWKEN-UHFFFAOYSA-N
-rxn:4:174407:224845,COC(=O)C1(c2cccc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)c2)CC(OC)(OC)C1,RRGZRNCNDBKCNS-UHFFFAOYSA-N
-rxn:4:174407:224957,COC(=O)C1(c2cccc(-c3ccccc3O[Si](C)(C)C(C)(C)C)c2)CC(OC)(OC)C1,KZNNFARUBJGPSY-UHFFFAOYSA-N
-rxn:4:174466:224485,CC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2ccccc2CCO[Si](C)(C)C(C)(C)C)c1,AMFBLJRUGTVUJR-UHFFFAOYSA-N
-rxn:4:174489:224290,CC1(C)COC(CCCC(=O)c2ccccc2-c2ccc(Cl)cc2OCCN2CCOCC2)OC1,SDAQIMNKWOFLMJ-UHFFFAOYSA-N
-rxn:4:174493:222997,CC1(C)COC(CCCC(=O)c2ccc(Cl)c(-c3ccc(Cl)cc3C3CCCNC3)c2)OC1,YIVSPWMQKKMWNS-UHFFFAOYSA-N
-rxn:4:174515:224146,Cc1cc(O[Si](C)(C)C(C)(C)C)cc(C)c1-c1ccc(O[Si](C(C)C)(C(C)C)C(C)C)cc1,KKFCRAXPUMFXSO-UHFFFAOYSA-N
-rxn:4:174516:224082,CCC(C(=O)OC(C)(C)C)c1cccc(-c2ccccc2O[Si](C(C)C)(C(C)C)C(C)C)c1,RKRKXDSLEVGFDL-UHFFFAOYSA-N
-rxn:4:174518:223931,CC(C)[Si](Oc1ccc(F)c(-c2cc3ccc(Cl)cc3n2C(=O)OC(C)(C)C)c1)(C(C)C)C(C)C,VMVQFCIPBNSYPE-UHFFFAOYSA-N
-rxn:4:174519:222622,CCC(C)c1cc(-c2cc(F)c(OC3CCC(OCc4ccccc4)CC3)c(F)c2)cc(C2CCCNC2)n1,BRFBRHCPWJHQMS-UHFFFAOYSA-N
-rxn:4:174522:223888,CC(C)[Si](C#Cc1ccc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CCC3)cc1)(C(C)C)C(C)C,YHFQLNWXDISKIT-UHFFFAOYSA-N
-rxn:4:174526:222973,Cc1c(-c2cccc(C(=O)NC(C)(C)C)c2)ccc(O[Si](C(C)C)(C(C)C)C(C)C)c1Cl,CMMMNEOZUABLFJ-UHFFFAOYSA-N
-rxn:4:174656:223562,CC(C)[Si](C#Cc1cccc2cccc(-c3ccc(CC4CCN(C(=O)OC(C)(C)C)CC4)cc3)c12)(C(C)C)C(C)C,KOVHSFQYJZMVDT-UHFFFAOYSA-N
-rxn:4:174656:224409,CC(C)[Si](C#Cc1cccc2cccc(-c3cc(OCC(F)(F)F)cc(C(F)(F)F)c3)c12)(C(C)C)C(C)C,NMYHTUMYKZWAMF-UHFFFAOYSA-N
-rxn:4:174662:224411,CCC1(CC)c2ccccc2-c2ccc(-c3ccc4c(c3)C(CC)(CC)c3cc(-c5ccc(S(=O)(=O)N(C)C)cc5C(F)(F)F)ccc3-4)cc21,LVESBXXDEQTSPH-UHFFFAOYSA-N
-rxn:4:174731:223888,COC(=O)c1cc(OC(F)(F)F)ccc1-c1ccc2c(c1)N(C(=O)OC(C)(C)C)CCC2,YAQFMVVCBSDPCH-UHFFFAOYSA-N
-rxn:4:175151:223688,CCOc1cc(-c2cc(S(=O)(=O)N3CCN(CC)CC3)ccc2OC)cc(COC)c1F,HZOIGUBCBHKGEG-UHFFFAOYSA-N
-rxn:4:175180:223844,O=C(CC(=O)C1CC1)c1ccccc1-c1ccc(S(=O)(=O)N2CCCC2)cc1C(F)(F)F,SUAASWHZTDUVFC-UHFFFAOYSA-N
-rxn:4:175269:223979,COC(=O)c1ccc(-c2cc(C(=O)N3CCCCC3)cc([N+](=O)[O-])c2)c(CS(C)(=O)=O)c1,MJEJUOWXWRZCBK-UHFFFAOYSA-N
-rxn:4:175301:223712,C#Cc1cccc(-c2ccc(OC)c(C34CC5CC(CC(C5)C3)C4)c2)c1OCC1CCC1,HLCXMQSBQZRNKY-UHFFFAOYSA-N
-rxn:4:175605:224306,CC(C)(C)OC(=O)c1ccc(C(F)(F)F)c(-c2ccc(C(F)(F)F)cc2OC2CCCC2)c1,UQHLQSWXGWQBPT-UHFFFAOYSA-N
-rxn:4:176048:222622,CCC(C)c1cc(-c2ccc(OCC3CCOCC3)c(C(C)(F)F)c2)cc(C2CCCNC2)n1,RRVGRYUPZSEHMU-UHFFFAOYSA-N
-rxn:4:176156:224161,Cc1cc(CO[Si](C)(C)C(C)(C)C)ccc1-c1ccc2c(c1)CN(C(=O)OC(C)(C)C)C2,CWCAPIWPWWPUHJ-UHFFFAOYSA-N
-rxn:4:176175:222447,COc1ccc2c(c1-c1cc(C)c(S(=O)(=O)Oc3ccc(C(C)(C)C)cc3)cc1C)N=C(NC(=O)OC(C)(C)C)C2,BFQGJZRPJDQFIA-UHFFFAOYSA-N
-rxn:4:176182:223985,COc1ccc(-c2ccccc2-c2c(C(C)C)cc(C(C)C)cc2C(C)C)cc1S(=O)(=O)N1CCCCC1,YPOPIEIZACVSMY-UHFFFAOYSA-N
-rxn:4:176190:223497,COC(=O)COc1ccc2cc(-c3ccc(C(C)N4CCC(O[Si](C)(C)C(C)(C)C)CC4)cc3)ccc2c1,IEAVXZPPBGDURK-UHFFFAOYSA-N
-rxn:4:176277:222542,Cc1ccc(-c2ccc(S(=O)(=O)Oc3ccc4c(c3)OC(=Cc3ccccc3)C4=O)cc2)cc1OCCCN1CCNCC1,LDTXNBWNWHVBTI-UHFFFAOYSA-N
-rxn:4:176293:224845,CC(C)(C)C(=O)Oc1ccc2c(c1)OC(=Cc1ccc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)cc1)C2=O,HARVQUMZNKLLTQ-UHFFFAOYSA-N
-rxn:4:176316:226844,O=C(c1cc(-c2ccc(OCC(F)(F)F)c(C3C4CC5CC(C4)CC3C5)c2)ccn1)C(F)(F)F,GPRACXAQQVDODT-UHFFFAOYSA-N
-rxn:4:176320:222703,FC(F)(F)c1ccc(-c2ccc(OCc3ccccc3)c(C34CC5CC(CC(C5)C3)C4)c2)cc1C1CCNCC1,LMGAEYOTJSYFPZ-UHFFFAOYSA-N
-rxn:4:176322:224897,CCC1(CC)CC(C)(C)c2c1cc1c(c2-c2ccc(-c3cccc(OC)c3)cc2)C(C)(C)CC1(CC)CC,QTVRZZXZXNWZDJ-UHFFFAOYSA-N
-rxn:4:176665:223559,COC(=O)c1ccc(C(F)F)cc1-c1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)OC(C)(C)C,CHNMOWTZRNMJNL-UHFFFAOYSA-N
-rxn:4:176695:223500,COc1ccc(-c2ccc(F)c(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)c(C(=O)C(F)F)c1F,TVYZHNPMWMBHKZ-UHFFFAOYSA-N
-rxn:4:176733:223831,COc1ccc(-c2cc(OC)c(F)c(C(=O)C(F)(F)F)c2F)cc1S(=O)(=O)N1CCC(C)CC1,JXIUWSFQGYFZOA-UHFFFAOYSA-N
-rxn:4:177016:223534,CC(C)(C)OC(=O)N1CCC(Oc2cc(-c3cccc(F)c3OCC3CC3)c(F)cn2)CC1,WNYAZZJAOIRJFO-UHFFFAOYSA-N
-rxn:4:177170:223559,CCc1cc(C(=O)OC)cc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)c1,ZWYMOVDYSCXGLS-UHFFFAOYSA-N
-rxn:4:178166:223559,CCOc1cc(C(C)(C)C)ccc1-c1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)OC(C)(C)C,FKHONMWJVAKKFA-UHFFFAOYSA-N
-rxn:4:178384:224900,COc1cc(-c2ccccc2)ccc1-c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1,BYWRGAVHZNYDAF-UHFFFAOYSA-N
-rxn:4:178384:225113,CC(C)(C)OOC(=O)c1cccc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c1,QFFFRRLSUFSJFN-UHFFFAOYSA-N
-rxn:4:178384:225201,Fc1c(OC2CCCC2)ccc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c1F,NKHVXMXQIYHMNQ-UHFFFAOYSA-N
-rxn:4:178384:226658,Fc1nc(N2CCCC2)ccc1-c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1,YXLOJVQRJNOQLN-UHFFFAOYSA-N
-rxn:4:178384:228279,CCc1cc(F)c(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c(F)c1,RLKKCPMZRSFLBS-UHFFFAOYSA-N
-rxn:4:178384:228365,Clc1nc(C2CC2)ncc1-c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1,UGGMHMNLWKLWLN-UHFFFAOYSA-N
-rxn:4:178493:223591,CCCS(=O)(=O)c1ccc(-c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)ccc2F)c2ccccc12,GBUOTTZMTNSMRK-UHFFFAOYSA-N
-rxn:4:178588:222619,CC(C)(C)[Si](C)(C)OC1CCc2cc(-c3ccc(CNC(=O)C4CCCCC4)cc3)ccc2C1,RUZOBEVESAPLKG-UHFFFAOYSA-N
-rxn:4:178588:225747,Cc1ccc(-c2ccc3c(c2)CCC(O[Si](C)(C)C(C)(C)C)C3)n1C(=O)OC(C)(C)C,CUTSIRLFJTUVFW-UHFFFAOYSA-N
-rxn:4:178594:223005,Fc1cc(OCC23CC4CC(CC(C4)C2)C3)c(Cl)cc1-c1ccc(C2CCNCC2)c(Cl)c1,YTSWHNGYARRRMX-UHFFFAOYSA-N
-rxn:4:178594:226146,Fc1cc(OCC23CC4CC(CC(C4)C2)C3)c(Cl)cc1-c1ccc(SC2CCCC2)cc1,WKNIHSRFZBVOSZ-UHFFFAOYSA-N
-rxn:4:178594:226324,Fc1cc(OCC23CC4CC(CC(C4)C2)C3)c(Cl)cc1-c1cccnc1OC1CCCC1,MQBNCNAHHVMGDK-UHFFFAOYSA-N
-rxn:4:178597:223363,Cc1n[nH]c2ncc(-c3ccc(OC(=O)C4OC5OC(C)(C)OC5C5OC(C)(C)OC45)cc3)cc12,MXOGZZXCABBQPA-UHFFFAOYSA-N
-rxn:4:178597:225752,COC(=O)c1cnc(C(C)C)c(-c2ccc(OC(=O)C3OC4OC(C)(C)OC4C4OC(C)(C)OC34)cc2)c1,KHZXRJMJACHISY-UHFFFAOYSA-N
-rxn:4:178597:226110,Cc1ccc(OCC(C)C)c(-c2ccc(OC(=O)C3OC4OC(C)(C)OC4C4OC(C)(C)OC34)cc2)c1,OOQYNZNNRKYCKD-UHFFFAOYSA-N
-rxn:4:178672:223536,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cc(F)ccc3OC(F)(F)F)cc(F)c2F)CC1,YLSZYIOEJXMBDT-UHFFFAOYSA-N
-rxn:4:179626:223573,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc(C4(C(F)(F)F)CC4)cc3)cc2)CC1,NCLNKXIXGYNQFG-UHFFFAOYSA-N
-rxn:4:179653:222742,FS(F)(F)(F)(F)c1cc(-c2cc(C3CCNCC3)nc(C3CC3)c2)cc(S(F)(F)(F)(F)F)c1,PLVRWWJVVOUITH-UHFFFAOYSA-N
-rxn:4:179725:223696,COc1cc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc2)cc(C2CC2(F)F)c1,GHDPPZVJSZLSGY-UHFFFAOYSA-N
-rxn:4:179943:223540,CCOc1cc(C)c(C)cc1-c1cc(S(=O)(=O)N2CCC3(CC2)OCCO3)ccc1OC,SOYLELSKCDLNLE-UHFFFAOYSA-N
-rxn:4:180180:223489,C#CC1(c2ccc(-c3ccc(S(=O)(=O)N4CCC(O[Si](C)(C)C(C)(C)C)CC4)cc3)cc2)CCCC1,BKJKCCKDXUTDJA-UHFFFAOYSA-N
-rxn:4:180200:223504,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cc(C(F)F)cc(C(C)(C)C)c3)cc2[N+](=O)[O-])CC1,PKDWUIBMXWTFHO-UHFFFAOYSA-N
-rxn:4:180290:223814,COc1c(C)cc(-c2ccc(CN3CCC4(CC3)OCCO4)cc2F)cc1C1OCCO1,KLHSURDYXUQMQO-UHFFFAOYSA-N
-rxn:4:180290:223815,COc1c(C)cc(-c2ccc(Cl)c(CN3CCC4(CC3)OCCO4)c2)cc1C1OCCO1,UBEQFCADEWKFPR-UHFFFAOYSA-N
-rxn:4:180301:223482,CSc1c(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)ccc(C2(C)OCCO2)c1F,FHWWZZVFKLGHRB-UHFFFAOYSA-N
-rxn:4:180703:222514,COc1ccc(-c2ccc(S(=O)(=O)C34CC(C3)C4)cc2)cc1S(=O)(=O)NC1CCCCC1,YAEVVQJHRHBOAI-UHFFFAOYSA-N
-rxn:4:180792:224964,CCOC1CCC2(CC1)Cc1ccc(-c3ccc(COC4CCOCC4)cc3)cc1C2=O,CDAVYLMJOYVJGA-UHFFFAOYSA-N
-rxn:4:180815:225059,COc1ccc(-c2ccc(N3CCC(C)CC3)cc2Cl)cc1C12CC3CC(CC(C3)C1)C2,AMHMSZRUVXZROD-UHFFFAOYSA-N
-rxn:4:181393:223489,CSc1ccc(-c2ccc(S(=O)(=O)N3CCC(O[Si](C)(C)C(C)(C)C)CC3)cc2)cc1C,LMPFZZUUIDOMQF-UHFFFAOYSA-N
-rxn:4:182347:224774,CC1(C)CC(=O)c2c(S(C)(=O)=O)sc(-c3ccc(N4CCCC4)c(C(F)(F)F)c3)c2C1,GKRPRFCAUJBVIO-UHFFFAOYSA-N
-rxn:4:182372:224366,CO[C@H]1CC[C@]2(CC1)Cc1ccc(-c3ccc(OC(F)(F)F)c(OCC4CC4)c3)cc1C2=O,SNCFXZJXWZRXOY-WBANQOEISA-N
-rxn:4:182372:224678,CO[C@H]1CC[C@]2(CC1)Cc1ccc(-c3ccc(F)c(C(=O)N4CCCCC4)c3)cc1C2=O,WRJOFOLGECIARP-GBWRQWNLSA-N
-rxn:4:183270:223498,Cc1cc2c(cc1-c1ccc(C(=O)N3CCCN(C(=O)OC(C)(C)C)CC3)cc1)C(C)(C)CCC2(C)C,HDUUQOFTQFRNAA-UHFFFAOYSA-N
-rxn:4:183272:223192,CNS(=O)(=O)c1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCO3)ccc1F,IWTHQWYIFPKBES-UHFFFAOYSA-N
-rxn:4:183272:227310,CCC(C)c1ncc(-c2ccc3c(c2)OCCOCCOCCOCCOCCO3)cc1Cl,FRFOFFOYPJHMGX-UHFFFAOYSA-N
-rxn:4:183273:226924,Cc1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c(C)c(C2CC2)c1,XHFRCYSASWTKDW-UHFFFAOYSA-N
-rxn:4:183273:228356,CC(C)c1nc(Cl)ncc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,YTHPPJPXXIDTJE-UHFFFAOYSA-N
-rxn:4:183274:227836,Cc1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCOCCO3)c(C2CC2)c1,AEMYXTXRYGRXTK-UHFFFAOYSA-N
-rxn:4:183274:228634,Cc1cc(Cl)cc(C)c1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCOCCO2,OZKAYSAKJMQNGD-UHFFFAOYSA-N
-rxn:4:183274:228955,Fc1cc(Cl)c(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCOCCO3)cc1F,OSNCDYGSMTZVTJ-UHFFFAOYSA-N
-rxn:4:183274:229155,c1cc2c(cc1-c1cn(C3CC3)nn1)OCCOCCOCCOCCOCCOCCOCCO2,ADPBSSTYULLZGG-UHFFFAOYSA-N
-rxn:4:183274:229212,Cc1ccncc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCOCCO2,CSCULFQSUZPNMY-UHFFFAOYSA-N
-rxn:4:183377:223481,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3ccc4c(c3)C3(CCCC3)c3ccccc3-4)c(F)c2)CC1,JNRDESISAMUFOB-UHFFFAOYSA-N
-rxn:4:183518:222924,CCOC(=O)Cc1ccc(C#N)c(C(F)(F)F)c1-c1ccc(C)c(S(=O)(=O)NC(C)C)c1,HFGFXRVCZXHBHI-UHFFFAOYSA-N
-rxn:4:183521:223885,CCOC(=O)Cc1cc(C#N)cc(C(F)(F)F)c1-c1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2,NCUHUYRILDXFMO-UHFFFAOYSA-N
-rxn:4:183544:223917,CCOC(=O)Cc1c(-c2cc(F)cc(C(=O)N(C)C3CCCCC3)c2)ccc(C#N)c1C(F)(F)F,IJKHIXNJGSIHON-UHFFFAOYSA-N
-rxn:4:183577:222723,CCOC(=O)Cc1c(-c2cccc(NS(=O)(=O)N3CCOCC3)c2)ccc(C#N)c1OC,VHBCYLMYBGZGMQ-UHFFFAOYSA-N
-rxn:4:183645:223179,CONC(=O)c1cc(-c2ccc(C(=O)ON3C(=O)CCC3=O)c(OCC(F)F)c2)ccc1F,YIUZJTIFLCPYMG-UHFFFAOYSA-N
-rxn:4:183645:223279,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cnc(C3CCCN3)nc2)cc1OCC(F)F,YCLNATRBTIYHGX-UHFFFAOYSA-N
-rxn:4:183646:223179,CONC(=O)c1cc(-c2ccc(C(=O)ON3C(=O)CCC3=O)c(OCC(F)(F)F)c2)ccc1F,CZGHVIMNZXRJLB-UHFFFAOYSA-N
-rxn:4:183695:223180,CONC(=O)c1ccc(-c2cc(OC(F)(F)F)ccc2OCC(=O)N2CCCC2)cc1F,LDZAUDASRWDVEV-UHFFFAOYSA-N
-rxn:4:183704:223179,CONC(=O)c1cc(-c2ccc(OC[C@@H]3CCCN3C(=O)OC(F)(F)F)c(F)c2)ccc1F,ZRIAEBHELOOUDX-AWEZNQCLSA-N
-rxn:4:183746:224713,CCCCOc1ccc(-c2ccccc2C(=O)N2CCC(SCC(=O)OC)C2)c(C(F)(F)F)c1,HNYSGYJZJRJDLQ-UHFFFAOYSA-N
-rxn:4:183755:223179,CONC(=O)c1cc(-c2ccc(C(=O)ON3C(=O)CCC3=O)c(OCC3CC3)c2)ccc1F,SOTWHNIEEDABOU-UHFFFAOYSA-N
-rxn:4:183783:222624,CC(C)Cc1cc(-c2ccc(N(C)CCC(=O)OC(C)(C)C)cc2)cc(C2CCNCC2)n1,UNIIMNYRQRVGKW-UHFFFAOYSA-N
-rxn:4:183801:223114,CCCNC(=O)c1cccc(-c2cc(C)cc(N(CC(F)(F)F)C(=O)OC(C)(C)C)c2)c1,DDGKNQNJIWOUOC-UHFFFAOYSA-N
-rxn:4:183807:223279,CC(C)COc1cc(-c2cnc(C3CCCN3)nc2)ccc1C(=O)ON1C(=O)CCC1=O,KGTPVGHJNMQEOU-UHFFFAOYSA-N
-rxn:4:183820:222919,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc(OCC(C)(C)C(=O)OC(C)(C)C)nc2)cc1,YMZRISMHPCPTBY-UHFFFAOYSA-N
-rxn:4:183894:225128,COC(=O)C1(c2ccc(F)c(-c3cccc(F)c3OCCCN3CCC(C(F)(F)F)CC3)c2)CC1,OJOKQAXACLYBJN-UHFFFAOYSA-N
-rxn:4:183897:224781,CCN(Cc1cc(-c2ccc(C3CCCO3)c(C(F)(F)F)c2)ccc1C)C(=O)OC(C)(C)C,IYDAUHLPUKJYRR-UHFFFAOYSA-N
-rxn:4:183930:224420,Cc1ccc(CN(C(=O)OC(C)(C)C)C2CC2)c(-c2cc3c(cc2C)C(C)(C)CCC3(C)C)c1,RIUWTCLZSMQDOW-UHFFFAOYSA-N
-rxn:4:183942:223279,COc1ccc(-c2cnc(C3CCCN3)nc2)c(C(=O)N2CC(S(=O)(=O)CC(C)C)C2)c1,GOTSUMYTZVZUDP-UHFFFAOYSA-N
-rxn:4:183983:223888,Cc1ccc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CCC3)cc1CN(C(=O)OC(C)(C)C)C(C)C,KRFSZZLJNBWPKP-UHFFFAOYSA-N
-rxn:4:183985:222545,CC(C)[Si](Oc1ccc(-c2ccc(C(C)(C)NC(=O)OC(C)(C)C)cc2)c(C#N)c1)(C(C)C)C(C)C,SBAQARAOKCDKEN-UHFFFAOYSA-N
-rxn:4:183994:222758,Cc1cc(-c2ccc(CN(C(=O)OC(C)(C)C)C3CCCC3)cc2)ccc1NC(=O)OC(C)(C)C,DLRZNPGCTVSJEY-UHFFFAOYSA-N
-rxn:4:183995:222867,Cc1cc(CN(C(=O)OC(C)(C)C)C2CCC2)cc(-c2ccc(NC(=O)OC(C)(C)C)cc2)c1,LHUIBBBSYZYPFG-UHFFFAOYSA-N
-rxn:4:184001:223279,COC(=O)C1(c2ccc(-c3cnc(C4CCCN4)nc3)cc2Cl)CCN(C(=O)OC(C)(C)C)C1,LDZADLFQFDQODT-UHFFFAOYSA-N
-rxn:4:184003:225296,O=C(Cc1ccc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1)N1CCC(S(=O)(=O)Cc2ccco2)CC1,LOSZGLUQLHYBAS-UHFFFAOYSA-N
-rxn:4:184018:223179,CONC(=O)c1cc(-c2ccccc2OCC2CCN(C(=O)OC(C)(C)C)CC2)ccc1F,KJEITMXIWMSFHU-UHFFFAOYSA-N
-rxn:4:184023:227754,CC(C)(C)OC(=O)N1CCC(COc2cc(Cl)cc(-c3c(Cl)cccc3C(F)(F)F)c2)CC1,JPIFNLWREJQFGY-UHFFFAOYSA-N
-rxn:4:184027:222817,COc1ccc(S(=O)(=O)NC2CC2)cc1-c1ccc(OCC2CCN(C(=O)OC(C)(C)C)CC2)c(F)c1,LHRWENOJYQOGTF-UHFFFAOYSA-N
-rxn:4:184040:222398,Cc1cc(-c2ccccc2C(=O)N2CCC(COCc3ccc(F)cc3)CC2)ccc1NC(=O)NC1CC1,HPRJAGSPDSBOLD-UHFFFAOYSA-N
-rxn:4:184065:224421,CC(C)c1cc(C(C)C)c(-c2ccc(CN(C(=O)OC(C)(C)C)C3CCCCC3)cc2)c(C(C)C)c1,COJJSYFXEJEFAZ-UHFFFAOYSA-N
-rxn:4:184067:226844,CC(C)(C)OC(=O)N(Cc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1)C1CCC(F)(F)CC1,NZPLLKSJGDMPEV-UHFFFAOYSA-N
-rxn:4:184073:223966,CC(C)(C)OC(=O)N1CCCC(CS(=O)(=O)c2cccc(-c3ccc(-c4ccc(OC(F)(F)F)cc4)cc3)c2)C1,MNNMBGFRUDRGOI-UHFFFAOYSA-N
-rxn:4:184076:224766,O=C(CCc1ccccc1-c1cc(N2CCCC2)cc(C(F)(F)F)c1)N1CCC(S(=O)(=O)c2ccccc2)CC1,MLKNFWFTIPNICW-UHFFFAOYSA-N
-rxn:4:184090:226844,COC(=O)c1cc(-c2ccnc(C(=O)C(F)(F)F)c2)cc(C2CCN(C(=O)OC(C)(C)C)CC2C)c1,ROTIYQPSDJMJRC-UHFFFAOYSA-N
-rxn:4:184096:223183,CNS(=O)(=O)c1ccc(-c2ccc(CN(C(=O)OC(C)(C)C)C3CCC(C)(C)CC3)cc2)c(C)c1,DHNAUJBHKAVAPP-UHFFFAOYSA-N
-rxn:4:184098:223974,CC1CCN(c2ccc(-c3cccc(CN(C(=O)c4ccc(C(C)(C)C)cc4)C4CCS(=O)(=O)C4)c3)c(C(F)(F)F)c2)CC1,UQDLHICZVPHLGF-UHFFFAOYSA-N
-rxn:4:184100:223279,Cc1cc(CN(C(=O)OC(C)(C)C)C2CCC(C)(C)CC2)cc(-c2cnc(C3CCCN3)nc2)c1,JYGSJLRPAZUUOT-UHFFFAOYSA-N
-rxn:4:184100:227940,CCc1cc(SC)cc(-c2cc(C)cc(CN(C(=O)OC(C)(C)C)C3CCC(C)(C)CC3)c2)c1,FWVKDDVJBXOCRL-UHFFFAOYSA-N
-rxn:4:184130:224952,CCCCC(CC)CN1C(=O)c2ccc(-c3cccc(CCN4CCOCC4)c3)cc2C1=O,URRBYDFLCVZHAD-UHFFFAOYSA-N
-rxn:4:184154:224690,CCN(Cc1ccc(-c2ccc(CN3CCC(=O)CC3)cc2F)c2ccccc12)C(=O)OC(C)(C)C,VEWHFKXAUMTZPI-UHFFFAOYSA-N
-rxn:4:184168:222823,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc(CN(C(=O)OC(C)(C)C)C3CC3)c3ccccc23)c(F)c1,MVNLWZWOSYCGRI-UHFFFAOYSA-N
-rxn:4:184181:224420,Cc1cc2c(cc1-c1ccc(CN(C(=O)OC(C)(C)C)C(C)C)c3ccccc13)C(C)(C)CCC2(C)C,KMVQJQWATLEFPW-UHFFFAOYSA-N
-rxn:4:184187:224306,COC(=O)C1=CN(c2cc(OC)c(OC)c(OC)c2)c2cc(-c3ccc(C(F)(F)F)cc3OC3CCCC3)ccc2S1(=O)=O,IEUIUIWTHCMALM-UHFFFAOYSA-N
-rxn:4:184188:224485,CC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2ccc(CN(C(=O)OC(C)(C)C)C3CCC3)c3ccccc23)c1,YPBMVTLOYPVDEW-UHFFFAOYSA-N
-rxn:4:184199:226844,CC(C)(C)OC(=O)N(Cc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)c2ccccc12)C1CCOC1,FCLRIRQIFQXGAK-UHFFFAOYSA-N
-rxn:4:184202:223179,CONC(=O)c1cc(-c2cc(OCc3ccccc3)c3c(c2F)CCN(C(=O)OC(C)(C)C)C3=O)ccc1F,OYFLNZLCDZLQTP-UHFFFAOYSA-N
-rxn:4:184202:223279,CC(C)(C)OC(=O)N1CCc2c(F)c(-c3cnc(C4CCCN4)nc3)cc(OCc3ccccc3)c2C1=O,TVGIGASDCBNEOG-UHFFFAOYSA-N
-rxn:4:184202:224679,CC(C)(C)OC(=O)N1CCc2c(F)c(-c3cc(Cl)cc(C(=O)N4CCCCC4)c3)cc(OCc3ccccc3)c2C1=O,FJMNZVLHAMMBSC-UHFFFAOYSA-N
-rxn:4:184202:226844,CC(C)(C)OC(=O)N1CCc2c(F)c(-c3ccnc(C(=O)C(F)(F)F)c3)cc(OCc3ccccc3)c2C1=O,SMLIKZFGVMBVDR-UHFFFAOYSA-N
-rxn:4:184205:226844,CC(C)(C)OC(=O)N1CCc2c(F)c(-c3ccnc(C(=O)C(F)(F)F)c3)cc(OCc3ccccc3)c2C1,IKVXIBHJAYFHCH-UHFFFAOYSA-N
-rxn:4:184215:226567,COC(=O)C(=O)c1ccc(-c2ccc(CN(C(=O)OC(C)(C)C)C3CCOCC3)c3ccccc23)cc1,OJCAAFQXZNRWAE-UHFFFAOYSA-N
-rxn:4:184219:225554,CC(C)(C)OC(=O)n1c(-c2ccc(OC(C)(C)C)c(C#N)c2)cc2cc(O[Si](C)(C)C(C)(C)C)ccc21,LMKRSZBOGXMSNZ-UHFFFAOYSA-N
-rxn:4:184225:227907,CCC(C)c1cncc(-c2ccc(S(=O)(=O)N(C(=O)C3CCCCC3)c3ccc4oc(C)c(C(C)=O)c4c3)cc2)c1,ZBGWYDQZTCLPHZ-UHFFFAOYSA-N
-rxn:4:184231:222811,COCCCN1C(=O)c2oc3ccccc3c(=O)c2C1c1cc(-c2cc(Cl)nc(NC(=O)OC(C)(C)C)c2)ccc1OC,UBRKUWUAHGMIEG-UHFFFAOYSA-N
-rxn:4:184280:223490,Cc1ccc(-c2cccc(C(=O)CCCC#N)c2)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,BBBRNVRDFVWVSZ-UHFFFAOYSA-N
-rxn:4:184312:224431,Cc1cccc(CN(C(C)C)C(C)C)c1-c1cccc([N+](=O)[O-])c1OC(C(F)(F)F)C(F)(F)F,WDHYPNALVFHOGU-UHFFFAOYSA-N
-rxn:4:184339:223696,CCOC(=O)Cc1cc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc2)ccc1C#N,LRCJZBFZYMFGHB-UHFFFAOYSA-N
-rxn:4:184400:224015,COC(=O)Cc1c(C#N)cc(-c2cc(S(=O)(=O)N3CCOCC3)c(C)cc2F)cc1C(F)F,VUEKYIKPIHINBS-UHFFFAOYSA-N
-rxn:4:184430:224410,CCOC(=O)c1ccc(C#N)c(C(F)F)c1-c1ccc(OCC(F)(F)F)c(C(F)(F)F)c1,UUYPFEZUOCEOFQ-UHFFFAOYSA-N
-rxn:4:184441:222718,COC(=O)Cc1cc(C(F)(F)F)cc(C#N)c1-c1cc(S(=O)(=O)N2CCNCC2)ccc1C,JNUVHPWYASDMKA-UHFFFAOYSA-N
-rxn:4:184456:223743,COC(=O)Cc1cc(C#N)c(C(F)(F)F)c(-c2ccc(C)c(OCCCN3CCC(C)CC3)c2)c1,MKYQTESIOCBUFR-UHFFFAOYSA-N
-rxn:4:184655:223504,CCOC(=O)Cc1c(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c([N+](=O)[O-])c2)ccc(C)c1C#N,PGRXUZWXBXCXEZ-UHFFFAOYSA-N
-rxn:4:184690:225035,O=C(OCc1ccccc1-c1cc(F)ccc1OC1CCCCC1)ON1C(=O)CCC1=O,OWDIMJIPFVCLOS-UHFFFAOYSA-N
-rxn:4:184745:224678,O=C(c1cc(-c2ccc(C(=O)N3CCC3(F)F)c(OCC(F)F)c2)ccc1F)N1CCCCC1,UXAXHMWSPSNZPS-UHFFFAOYSA-N
-rxn:4:184845:225052,COc1ccc(CC(=O)ON2C(=O)CCC2=O)cc1-c1cc(F)cc(N2CCCCC2C)c1,RBPGUFWGXXABFN-UHFFFAOYSA-N
-rxn:4:184883:223577,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3cc(/C=N/S(=O)C(C)(C)C)ccc3OC(F)(F)F)cc2)CC1,LDBWMHYFCLZITE-KCSSXMTESA-N
-rxn:4:184886:225775,COC(=O)c1cc(-c2ccc(C(=O)N3CCCC3)cc2OCC(F)(F)F)cc(OC)c1C,POKQIUBOSCNEIQ-UHFFFAOYSA-N
-rxn:4:184891:224666,CN1CCN(Cc2cc(-c3cc(C(F)(F)F)ccc3OCC(=O)N3CCCC3)ccc2F)CC1,VRUIFFUUUZGPIM-UHFFFAOYSA-N
-rxn:4:184893:223828,CCN1CCN(c2cc(-c3ccc(S(=O)(=O)C(C[N+](=O)[O-])c4ccccc4)cc3)cc(C(F)(F)F)c2)CC1,KKXNBWHXZZUJSK-UHFFFAOYSA-N
-rxn:4:184930:225716,COCCOCc1cc(F)ccc1-c1cc(C(F)(F)F)ccc1OCC(=O)N1CCOCC1,MEVLUELQSFXIGI-UHFFFAOYSA-N
-rxn:4:184969:223179,CONC(=O)c1cc(-c2ccc(C(=O)ON3C(=O)CCC3=O)c(OC(C)C)c2)ccc1F,BVUMOOVKCONJJJ-UHFFFAOYSA-N
-rxn:4:184989:223754,CC(C)COc1cc(-c2ccc(OCCCN3CCC(C)CC3)c(Cl)c2)ccc1C(=O)N1CCC1(F)F,LVUGZLHVGVXNMX-UHFFFAOYSA-N
-rxn:4:185019:224162,CC(C)N(C(=O)Cc1ccc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CC3)cc1)C(C)C,UTMNPBOYECUEPP-UHFFFAOYSA-N
-rxn:4:185023:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1cc([N+](=O)[O-])ccc1OCCC1CCCCC1,OCCTXLVLRUZKTE-UHFFFAOYSA-N
-rxn:4:185028:223580,COC(=O)c1ccc2c(c1)cc(-c1ccccc1SC1CN(C(=O)OC(C)(C)C)C1)n2C(=O)OC(C)(C)C,JGWNRJXTCPPFBN-UHFFFAOYSA-N
-rxn:4:185030:222684,FC1(F)CCN(CCCOc2ccc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)cc2)CC1,WYCKMDJAEUNSMY-UHFFFAOYSA-N
-rxn:4:185044:222695,Cc1ccc(-c2cc(Cl)cc(OC3CN(C(=O)OC(C)(C)C)C3)c2)cc1S(=O)(=O)NC1CCCC1,IOXGOJWVVRPPGM-UHFFFAOYSA-N
-rxn:4:185048:225176,FC(F)(F)C1CCN(CCOc2ccc(-c3ccc(CN4CCOCC4)c(Cl)c3)cc2)CC1,QKSGMNIXZMIKMB-UHFFFAOYSA-N
-rxn:4:185079:222754,COc1ccc(C(=O)NC(C)(C)C)c(-c2ccc(N(C(=O)OC(C)(C)C)C(C)C)cc2)c1,SHZRKEPTFPAVIW-UHFFFAOYSA-N
-rxn:4:185086:224593,Cc1cc(-c2ccc(F)c(CN3CCC(C)CC3)c2)ccc1OCCCN1CCOCC1,YFOJJUIIIXFIKM-UHFFFAOYSA-N
-rxn:4:185086:224679,Cc1cc(-c2cc(Cl)cc(C(=O)N3CCCCC3)c2)ccc1OCCCN1CCOCC1,CQHXIEWNDZJUKJ-UHFFFAOYSA-N
-rxn:4:185107:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2cnc(S(=O)(=O)C(C)C)c(C(=O)OC(C)(C)C)c2)cc1,BWCPQOMXEFZWFJ-UHFFFAOYSA-N
-rxn:4:185107:222933,CC(C)S(=O)(=O)c1ncc(-c2cnc(NC(=O)OC(C)(C)C)nc2)cc1C(=O)OC(C)(C)C,HZNYZRPLRPWHKR-UHFFFAOYSA-N
-rxn:4:185115:222856,COc1ccc(C2CCNCC2)cc1-c1ccccc1S(=O)(=O)CC(=O)N1CCCC(C(F)(F)F)C1,VBVMDORLXIHEAB-UHFFFAOYSA-N
-rxn:4:185128:224410,CCOC(=O)C1CCN(Cc2ccc(-c3ccc(OCC(F)(F)F)c(C(F)(F)F)c3)cc2)CC1,VWGPCNKTSUJSIS-UHFFFAOYSA-N
-rxn:4:185135:225118,COC(=O)c1cc(-c2ccc(Cl)c(CCN3CCC(C(=O)OC)CC3)c2)ccc1OC(C)C,ANCRNDOQYVTXCT-UHFFFAOYSA-N
-rxn:4:185136:224022,FC(F)(F)C1CCN(CCCc2ccccc2-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)CC1,DOFVBAIOAFMDEM-UHFFFAOYSA-N
-rxn:4:185138:223598,COC(=O)C1CCN(CCc2cc(-c3ccc(OCCN4CCC5(CC4)OCCO5)c(F)c3)ccc2F)CC1,NOFNQMGCXNUANX-UHFFFAOYSA-N
-rxn:4:185139:225741,CCCCOc1c(F)cc(-c2cc(CCN3CCC(C(=O)OC)CC3)ccc2F)cc1Cl,MJQIAODLNAITFY-UHFFFAOYSA-N
-rxn:4:185145:222997,CCOC(=O)C1CCCN(S(=O)(=O)c2ccc(-c3ccc(Cl)cc3C3CCCNC3)cc2)C1,DFLUMRKJKWNGRO-UHFFFAOYSA-N
-rxn:4:185147:222429,CC(C)CS(=O)(=O)C1CN(S(=O)(=O)c2ccccc2-c2ccc(CNC(=O)c3ccc(F)cc3C(F)(F)F)cc2)C1,SWWZNDQVBLCQHV-UHFFFAOYSA-N
-rxn:4:185160:223872,CCN(C(=O)c1cccc(-c2ccc(C(=O)OC)cc2CN2CCCC(C(F)(F)F)C2)c1)C1CCCCC1,ZIDZELJUVZMMQF-UHFFFAOYSA-N
-rxn:4:185181:223888,COc1cc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CCC3)cnc1CO[Si](C)(C)C(C)(C)C,ZGYGKKLOKJZBQP-UHFFFAOYSA-N
-rxn:4:185248:223279,COc1cc(-c2cnc(C3CCCN3)nc2)cc(OC)c1CN1CCCC(C(F)(F)F)C1,SNPUYZQHAVXAES-UHFFFAOYSA-N
-rxn:4:185249:223279,COc1cc(-c2cnc(C3CCCN3)nc2)cc(OC)c1CN1CCCCC1C(F)(F)F,SDMQTYMFIUXYSA-UHFFFAOYSA-N
-rxn:4:185250:223978,CC(C)(C)OC(=O)c1ccc(-c2ccc(C(=O)N3CCOCC3)cc2OCc2ccccc2)cc1C(F)(F)F,BZZWITFWPRAOFJ-UHFFFAOYSA-N
-rxn:4:185263:223179,CONC(=O)c1cc(-c2c(F)cc(N3CCC(C(OC)OC)CC3)cc2OC)ccc1F,SIUDYCPTUBHKSH-UHFFFAOYSA-N
-rxn:4:185265:223179,CONC(=O)c1cc(-c2cccc(C3CN(CC(=O)OC(C)(C)C)C(=O)CO3)c2)ccc1F,UPMCIOXRNSYREI-UHFFFAOYSA-N
-rxn:4:185270:223987,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3ccc(Oc4ccc(C(F)(F)F)cc4)nc3)cc2C(F)(F)F)C1,VEPQBOGMHQUUCO-UHFFFAOYSA-N
-rxn:4:185271:224791,CC(C)OC(=O)c1ccc(-c2ccc(C3(C(F)(F)F)CCN(C(=O)OC(C)(C)C)C3)c(Cl)c2)c([N+](=O)[O-])c1,ATTUHZVFYGXVJY-UHFFFAOYSA-N
-rxn:4:185271:227269,CCOc1cccc(OC)c1-c1ccc(C2(C(F)(F)F)CCN(C(=O)OC(C)(C)C)C2)c(Cl)c1,MAMJAMJOSVWBCQ-UHFFFAOYSA-N
-rxn:4:185292:225273,CCCOc1cc(C(F)(F)F)ccc1-c1ccc(C(=O)N(Cc2ccccc2F)C2CCS(=O)(=O)C2)cc1,IGXWPNSIYLTNLF-UHFFFAOYSA-N
-rxn:4:185314:226353,COc1cc(C2CC2)cc(-c2cccc(OC3CCCN(C(=O)OC(C)(C)C)C3)c2)c1Cl,XVRVLFULIRNLNR-UHFFFAOYSA-N
-rxn:4:185316:224970,CC(C)(C)OC(=O)N1CC(c2ccc(-c3ccc(S[Si](C)(C)C(C)(C)C)cc3)c(C3CC3)c2)C1,YYVKGZSFKJDOGO-UHFFFAOYSA-N
-rxn:4:185318:223179,CONC(=O)c1cc(-c2cc(C3CC3)cc(C3CN(C(=O)OC(C)(C)C)C3)c2)ccc1F,DMUYFWAZYYBFCF-UHFFFAOYSA-N
-rxn:4:185326:223179,CONC(=O)c1cc(-c2cccc(OC(C)C)c2CN2CCC(C(F)(F)F)CC2)ccc1F,KJJKQESKXWGVDZ-UHFFFAOYSA-N
-rxn:4:185353:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2ccc(CC(=O)N3CCC(S(=O)(=O)C(C)(C)C)C3)cc2)cc1,RUDSZFASFOSCSF-UHFFFAOYSA-N
-rxn:4:185354:225553,CC(C)N(C)C(=O)c1ccc(-c2ccccc2C(=O)C2CCN(C(=O)OC(C)(C)C)CC2)cc1,GCZGTLQUPHYBIU-UHFFFAOYSA-N
-rxn:4:185355:222922,CC(C)(C)NS(=O)(=O)c1ccccc1-c1cccc(C(=O)C2CCN(C(=O)OC(C)(C)C)CC2)c1,GRNXBCCYQAJLTK-UHFFFAOYSA-N
-rxn:4:185356:223385,CC(C)(C)OC(=O)N1CCC(C(=O)c2cc(-c3cc(C=NO)ccc3Cl)ccc2F)CC1,SYBIGUFXOFFFJC-UHFFFAOYSA-N
-rxn:4:185357:223179,CONC(=O)c1cc(-c2ccc(C(=O)C3CCN(C(=O)OC(C)(C)C)CC3)c(F)c2)ccc1F,WXOIDMFSEIGERE-UHFFFAOYSA-N
-rxn:4:185364:223179,CONC(=O)c1cc(-c2ccc(OCc3ccc(Cl)cc3)c(C=C3SC(=S)N(C(C)C)C3=O)c2)ccc1F,ATXNQGRRGMYPBU-UHFFFAOYSA-N
-rxn:4:185370:226268,CCCOc1c(SC)cccc1-c1ccc(C(=O)OC(C)CN2C(C)CCCC2C)cc1,VUYJKGRDYQZRRF-UHFFFAOYSA-N
-rxn:4:185371:222922,CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(CC2CCN(C(=O)OC(C)(C)C)CC2)cc1,XUBSZCGUSVOLIU-UHFFFAOYSA-N
-rxn:4:185378:226761,CSc1ccc(-c2cccc(S(=O)(=O)C3CCN(C(=O)OC(C)(C)C)CC3)c2)c(C(F)(F)F)c1,KQVCPJVDZKCCES-UHFFFAOYSA-N
-rxn:4:185382:223179,CONC(=O)c1cc(-c2ccc(C(F)(F)F)c(C3CCN(C(=O)OC(C)(C)C)CC3)c2)ccc1F,IVISIAMJNBZKIO-UHFFFAOYSA-N
-rxn:4:185386:223279,CC(C)(C)OC(=O)N1CCCC(c2ccc(C(F)(F)F)c(-c3cnc(C4CCCN4)nc3)c2)C1,CIXXRYLFFDQDAL-UHFFFAOYSA-N
-rxn:4:185387:223279,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3cnc(C4CCCN4)nc3)cc2C(F)(F)F)CC1,ZAYZIPPOASOXJQ-UHFFFAOYSA-N
-rxn:4:185388:223179,CONC(=O)c1cc(-c2ccc(C3CCCN(C(=O)OC(C)(C)C)C3)c(C(F)(F)F)c2)ccc1F,DHLKLOAMDOVOHV-UHFFFAOYSA-N
-rxn:4:185388:228311,CCCc1ncc(-c2ccc(C3CCCN(C(=O)OC(C)(C)C)C3)c(C(F)(F)F)c2)c(Cl)n1,TZAZKCCBSHGRCY-UHFFFAOYSA-N
-rxn:4:185405:223279,CC(C)(C)OC(=O)N1CCC(c2ccc(C3CC3)cc2-c2cnc(C3CCCN3)nc2)C1,YJLQEYMEIOHCHG-UHFFFAOYSA-N
-rxn:4:185411:226844,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2C2CC2)C1,DGMAHRUBXHVKGU-UHFFFAOYSA-N
-rxn:4:185415:223179,CONC(=O)c1cc(-c2ccc(N(C(=O)CC3CCCCC3)C3C=CS(=O)(=O)C3)cc2)ccc1F,DNERYZJERCSADS-UHFFFAOYSA-N
-rxn:4:185415:228809,CSc1ccc(Cl)c(-c2ccc(N(C(=O)CC3CCCCC3)C3C=CS(=O)(=O)C3)cc2)c1,QMRBRUXVHYJBSE-UHFFFAOYSA-N
-rxn:4:185421:226844,CC(C)(C)OC(=O)N1CCOC(c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)c(C3CC3)c2)C1,ZEORHHKUMYZSFW-UHFFFAOYSA-N
-rxn:4:185422:226844,CC(C)(C)OC(=O)N1CCOC(c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2C2CC2)C1,VGJYMNDKCGFGFG-UHFFFAOYSA-N
-rxn:4:185432:226844,Cc1cc(OC2CCN(C(=O)OC(C)(C)C)CC2)cc(C)c1-c1ccnc(C(=O)C(F)(F)F)c1,AQXRIZDTPFGZNP-UHFFFAOYSA-N
-rxn:4:185433:227052,CC(C)(C)OC(=O)N1CCC(c2cc(-c3ccc(SC(C)(C)C)cc3)cc(C3CC3)c2)CC1,PWWUZGKXPPXCIG-UHFFFAOYSA-N
-rxn:4:185446:223279,CC(c1ccc(-c2cnc(C3CCCN3)nc2)cc1)N1CCC(O[Si](C)(C)C(C)(C)C)CC1,FAOJPQBRFSYNMS-UHFFFAOYSA-N
-rxn:4:185452:224395,CCOC(=O)c1[nH]c2ccc(OC(F)(F)F)cc2c1-c1cc(N2CCOCC2)cc(C(F)(F)F)c1,YJRYLBNOSBSKBH-UHFFFAOYSA-N
-rxn:4:185453:225010,O=S(=O)(Oc1cc2c(-c3ccc(F)c(CN4CCCCC4)c3)cccc2n1CC(F)(F)F)C(F)(F)F,HYRIOSOTGFASDG-UHFFFAOYSA-N
-rxn:4:185468:224252,CC1CCCN(C(=O)c2ccc(-c3cc(OC(F)(F)F)cc4ccn(C(=O)OC(C)(C)C)c34)cc2F)C1,SHVNQBCNVYSATG-UHFFFAOYSA-N
-rxn:4:185511:223522,COC(=O)c1cc(-c2cc(F)cc(N3CCC(O[Si](C)(C)C(C)(C)C)CC3)c2)c2c(c1)N(C(=O)OC(C)(C)C)CC2,NUYNYFNOMBKREB-UHFFFAOYSA-N
-rxn:4:185511:224275,COC(=O)c1cc(-c2nn(C(=O)OC(C)(C)C)c3ccccc23)c2c(c1)N(C(=O)OC(C)(C)C)CC2,KASCXISOONGQFU-UHFFFAOYSA-N
-rxn:4:185609:223588,COc1ccc(C(=O)C2=CN(c3cccc(-c4cnc(N5CCN(C(=O)OC(C)(C)C)CC5)c(C)c4)c3)c3ccccc3S2(=O)=O)cc1OC,DMPMEGZGOXWZIB-UHFFFAOYSA-N
-rxn:4:185642:223997,COc1ccc(CCN2C(=O)c3oc4ccccc4c(=O)c3C2c2ccc(-c3cc(C)c(S(=O)(=O)N4CCOCC4)c(C)c3)cc2)cc1,KZNPTUWROJKHSX-UHFFFAOYSA-N
-rxn:4:185644:223179,CONC(=O)c1cc(-c2ccc3oc4c(c(=O)c3c2)C(c2ccc(C(=O)OC)cc2)N(CC2CCCO2)C4=O)ccc1F,VUBIGPZKDYXXTQ-UHFFFAOYSA-N
-rxn:4:185644:223279,COC(=O)c1ccc(C2c3c(oc4ccc(-c5cnc(C6CCCN6)nc5)cc4c3=O)C(=O)N2CC2CCCO2)cc1,HKKXCCCFPPCRSW-UHFFFAOYSA-N
-rxn:4:185685:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(OC(F)(F)F)c(CC#N)c3)c(F)cc2C)CC1,WSGWBJPGMJJGDS-UHFFFAOYSA-N
-rxn:4:185775:223574,COc1ccc(-c2cccc(CN3CCN(C(=O)OC(C)(C)C)CC3)c2)c(C(=O)CC#N)c1,NFIURIWHEUCGPP-UHFFFAOYSA-N
-rxn:4:185890:223971,COC(=O)c1ccc(-c2cc(N3CCC(C)CC3)cc(C(F)(F)F)c2)c(C(F)F)c1C#N,KDWYFHCNPWHFNK-UHFFFAOYSA-N
-rxn:4:185912:224322,COC(=O)c1c(C#N)ccc(-c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)c1C(F)(F)F,WITBAUZKWSIRIM-UHFFFAOYSA-N
-rxn:4:186127:222676,CC(F)(F)COc1c(F)cc([N+](=O)[O-])cc1-c1cc(F)ccc1CNC(=O)OC(C)(C)C,AYSHPQYJDATRCF-UHFFFAOYSA-N
-rxn:4:186313:223532,CN(C)CCOc1ccc(F)c(-c2cc(F)cc(CN3CCN(C(=O)OC(C)(C)C)CC3)c2)c1,HKKQQALMRGLTLT-UHFFFAOYSA-N
-rxn:4:186582:223640,CCOC12C(=O)c3cc(F)cc(-c4ccc(CN(C)C)c(C(=O)OC)c4)c3C(=O)C1C2(C)C,WMHXWECSCKNLDS-UHFFFAOYSA-N
-rxn:4:186611:223839,COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cc(F)cc(CN(C)C(=O)C2CC2)c1,TUKPXUPGZZYCLS-UHFFFAOYSA-N
-rxn:4:186684:223918,CN(C(=O)c1ccc(F)c(-c2ccc(OCC(=O)N3CCCC3)cc2)c1)C1CCCCC1,GFIQNBKPRXKLEK-UHFFFAOYSA-N
-rxn:4:186684:223992,Cc1ccc(-c2ccc(OCC(=O)N3CCCC3)cc2)cc1S(=O)(=O)N1CCN(C)CC1,KMZBNPPRASNDMM-UHFFFAOYSA-N
-rxn:4:186692:223994,COc1ccc(-c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2C)c(C(=O)N(C)C2CC2)c1,DZRHJXAGKAFONR-UHFFFAOYSA-N
-rxn:4:186722:224496,CCN1CCN(Cc2cccc(-c3ccc(OC)cc3C(=O)N3CC(C(F)F)C3)c2)CC1,GIPBGPFCYMKELV-UHFFFAOYSA-N
-rxn:4:186821:223032,CCCNC(=O)c1ccc(-c2cc(OC(F)(F)F)cc(C(=O)N3CCOCC3)c2)c(F)c1,FSLNMFWSRWEAFF-UHFFFAOYSA-N
-rxn:4:187026:223279,O=C1CCN(S(=O)(=O)c2cc(-c3cnc(C4CCCN4)nc3)ccc2OC(F)(F)F)CC1,MRFGEVBKAHFZLC-UHFFFAOYSA-N
-rxn:4:187031:222614,CC(C)N(C(=O)c1ccccc1-c1ccc(S(=O)(=O)NC2CC2)cc1C(F)(F)F)C(C)C,FJGRDRJHDJWGJF-UHFFFAOYSA-N
-rxn:4:187083:224415,FC(F)(F)Oc1cc(-c2ccnc(C(F)(F)C(F)(F)C(F)(F)F)c2)ccc1CN1CCCCC1,CNINIICMDBBXJJ-UHFFFAOYSA-N
-rxn:4:187093:224974,CN1CCN(Cc2ccccc2-c2ccc(S(=O)(=O)N3CCCCC3)c(OC(F)(F)F)c2)CC1,ROAYZRZPZHRQFP-UHFFFAOYSA-N
-rxn:4:187144:223179,CONC(=O)c1cc(-c2cc(CC(=O)N3CCCC(C(F)(F)F)C3)ccc2Cl)ccc1F,DDEMLFAZSVQPFZ-UHFFFAOYSA-N
-rxn:4:187144:224915,Cc1cc(N2CCCCC2C)ccc1-c1cc(CC(=O)N2CCCC(C(F)(F)F)C2)ccc1Cl,HNXAZUAAOMGIAQ-UHFFFAOYSA-N
-rxn:4:187148:222724,O=C(Cc1ccc(-c2cnc(N3CCNCC3)c(C(F)(F)F)c2)c(F)c1)N1CCCC(C(F)(F)F)C1,ZANHSDRJFTTZRJ-UHFFFAOYSA-N
-rxn:4:187154:226471,CN(C)CCOc1ccc(-c2ccc(S(=O)(=O)CC(=O)N3CCC(F)(F)CC3)cc2)cn1,YVJDNOKFGMCBNM-UHFFFAOYSA-N
-rxn:4:187180:224492,CC1CCCCN1C(=O)COc1ccc(-c2ccc(CCC(=O)N3CCCC3)cc2)cc1,DDOVDGMYUJUPPD-UHFFFAOYSA-N
-rxn:4:187191:222621,CCCS(=O)(=O)N1CCCC1c1ccc(-c2cc(CC(C)C)nc(C3CCCNC3)c2)cc1,SWLPGKIUMZEUBY-UHFFFAOYSA-N
-rxn:4:187205:222702,CC(C)(C)OC(=O)N1CC(c2cc(Cl)ccc2-c2cc(C3CCCNC3)ccc2C(F)(F)F)C1,RDWLXJVARDWVOY-UHFFFAOYSA-N
-rxn:4:187212:222886,CC(C)(C)OC(=O)N1CC(c2ccc(-c3ccc(N4CCNCC4)cc3C#N)c(F)c2)C1,MCEGXOSBPKQRPZ-UHFFFAOYSA-N
-rxn:4:187252:223668,Fc1ccc(-c2ccc(OCc3ccccc3)cc2OC(F)(F)F)cc1CCN1CCC(C(F)(F)F)CC1,YFZHCCWBECIELA-UHFFFAOYSA-N
-rxn:4:187307:225308,Cc1cc(OCC2CCCCC2)c(-c2cc(C(F)(F)F)cc(C3CC3)c2Cl)cc1[N+](=O)[O-],SYOYOPVSXHZUQS-UHFFFAOYSA-N
-rxn:4:187368:222718,CCN(C(=O)c1ccc(-c2cc(S(=O)(=O)N3CCNCC3)ccc2C)c(Cl)c1)C1CCCCC1,SIWRQNCSODGYFZ-UHFFFAOYSA-N
-rxn:4:187371:223526,CCN(C(=O)c1c(F)cccc1-c1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1)C1CCCCC1,ALOLQOZARFQTEF-UHFFFAOYSA-N
-rxn:4:187388:223179,CONC(=O)c1cc(-c2ccc(CC(=O)N3CCC(C(F)(F)F)CC3)cc2C)ccc1F,GVAAEDWCSVQGHK-UHFFFAOYSA-N
-rxn:4:187409:222925,CC1CCCC(C)N1C(=O)COc1ccc(-c2ccc(C3CNC3)c(C(F)(F)F)c2)cc1,DNWQCORWEAJPQN-UHFFFAOYSA-N
-rxn:4:187415:222945,CC(C)NS(=O)(=O)c1ccc(-c2ccc(C3CCN(C(=O)OC(C)(C)C)CC3)o2)cc1F,OTTNKKBKEXQBHP-UHFFFAOYSA-N
-rxn:4:187418:225359,COc1cc(-c2cccc(C3CCN(C(=O)OC(C)(C)C)C3)c2)c(C(F)(F)F)cc1OC,JDCKNVPZJJSEMZ-UHFFFAOYSA-N
-rxn:4:187444:225549,CCCCC(=O)c1cc(-c2ccc(C3CCCN3C(=O)OC(C)(C)C)c(F)c2)ccc1F,ZMYNCNCUMPASHR-UHFFFAOYSA-N
-rxn:4:187462:222720,COc1ccc(S(=O)(=O)N2CCSC2c2ccc(-c3ccc(N4CCNCC4)cc3C(F)(F)F)cc2)cc1,NSEFIWXFFIEGGU-UHFFFAOYSA-N
-rxn:4:187474:222647,Cc1cc(-c2ccn([Si](C(C)C)(C(C)C)C(C)C)c2)c(C)cc1NC(=O)OC(C)(C)C,YHVKVBOTDSPIQB-UHFFFAOYSA-N
-rxn:4:187477:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2cc(CN3CCCCC3)ccc2OC(C)C)cc1,ODZJYJOTCCHTEQ-UHFFFAOYSA-N
-rxn:4:187482:224592,CCOc1ccc(-c2cc(C3(C#N)CCCCC3)ccc2F)cc1S(=O)(=O)N1CCCC(C)C1,ZIEFLFFEJYUECS-UHFFFAOYSA-N
-rxn:4:187487:224758,CCC1CCCCN1S(=O)(=O)c1cc(-c2ccc(C(=O)N3CCOCC3)c(Cl)c2)ccc1OC,YPENRJXVQVBDHV-UHFFFAOYSA-N
-rxn:4:187496:225301,CC(C)(C)OC(=O)N1CCOCC1c1ccc(-c2cc(OC3CCOCC3)ncc2F)cc1,IXEUGZRRWCXCNR-UHFFFAOYSA-N
-rxn:4:187499:224830,COc1cc(-c2cc(C(F)(F)F)nn2C2CCCCO2)cc(OC)c1C(=O)N1CCCC(C)C1,DMFFYSXMUWCJQL-UHFFFAOYSA-N
-rxn:4:187502:223675,CC(C)Oc1cccc(-c2cc(OCc3ccccc3)c(C(F)(F)F)cc2Cl)c1CN1CCC(F)(F)CC1,LBLZNDBTJJPRLR-UHFFFAOYSA-N
-rxn:4:187505:223940,CC(C)(C)OC(=O)N1CCOC(c2ccc(-c3ccc4c(c3)OCCN4C(=O)OC(C)(C)C)cc2Cl)C1,NJPVCDRPQWRTIM-UHFFFAOYSA-N
-rxn:4:187578:224704,Cc1cc(-c2cc(F)c(F)c(N3CCC(C)CC3)c2)ccc1C1CCN(C(=O)OC(C)(C)C)C1,PMNFDGTYWYXSAW-UHFFFAOYSA-N
-rxn:4:187581:223045,CC(C)NC(=O)c1ccc(F)c(-c2coc(C3CCN(C(=O)OC(C)(C)C)CC3C)c2)c1,DXAYIWDNQKVQBU-UHFFFAOYSA-N
-rxn:4:187581:223182,CCNS(=O)(=O)c1ccc(-c2coc(C3CCN(C(=O)OC(C)(C)C)CC3C)c2)cc1,AWAXGOPCYSKTCF-UHFFFAOYSA-N
-rxn:4:187582:223098,CC(=O)NS(=O)(=O)c1ccc(-c2cc(Cl)cc(C3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1,XUYGIZNPSLGXTN-UHFFFAOYSA-N
-rxn:4:187586:224328,CC1CCCCN1S(=O)(=O)c1cccc(-c2ccc(C3CCCN(C(=O)OC(C)(C)C)C3)c(Cl)c2)c1,AELVLJQFCWLXTO-UHFFFAOYSA-N
-rxn:4:187587:225521,CCCCOc1cc(-c2ccc(C3CCN(C(=O)OC(C)(C)C)CC3)c(Cl)c2)ccc1OC,QLTRQYQKHGZRNP-UHFFFAOYSA-N
-rxn:4:187588:223179,CONC(=O)c1cc(-c2ccc(C3(F)CCN(C(=O)OC(C)(C)C)CC3)cc2)ccc1F,WLZPOXMGRVHGOX-UHFFFAOYSA-N
-rxn:4:187589:223179,CONC(=O)c1cc(-c2cc(C3CCCN(C(=O)OC(C)(C)C)C3)ccc2F)ccc1F,CMOIANJJGJXPFJ-UHFFFAOYSA-N
-rxn:4:187589:223693,CC(C)(C)OC(=O)N1CCCC(c2ccc(F)c(-c3cc(O[Si](C)(C)C(C)(C)C)cc(C(F)(F)F)c3F)c2)C1,SAGHKSNQDRWSAO-UHFFFAOYSA-N
-rxn:4:187590:223179,CONC(=O)c1cc(-c2ccc(C3CCCN(C(=O)OC(C)(C)C)C3)cc2F)ccc1F,UWJGVDIQGITQSE-UHFFFAOYSA-N
-rxn:4:187590:226352,Cc1cc(-c2ccc(C3CCCN(C(=O)OC(C)(C)C)C3)cc2F)c(Cl)cc1OC(C)C,YEGIJKJNBPTIER-UHFFFAOYSA-N
-rxn:4:187598:223179,CONC(=O)c1cc(-c2ccccc2C(=O)N2CC(S(=O)(=O)C3CCCCC3)C2)ccc1F,HUFAMKFGSJTLIQ-UHFFFAOYSA-N
-rxn:4:187625:224656,COc1ccc(-c2cccc(OC(C)C)c2CN2CCC(C)CC2)c(F)c1OC1CCCC1,XYJZVYJYCGNXDA-UHFFFAOYSA-N
-rxn:4:187634:222958,Cc1ccc(-c2ccc(N(C(=O)C3CCCCC3)C3C=CS(=O)(=O)C3)cc2)cc1C1CCNCC1,MIHURNOPIAWFEJ-UHFFFAOYSA-N
-rxn:4:187634:225805,CC(c1ccc(-c2ccc(N(C(=O)C3CCCCC3)C3C=CS(=O)(=O)C3)cc2)s1)N1CCOCC1,VGBGHAAWOJZENT-UHFFFAOYSA-N
-rxn:4:187644:223279,COc1cc(S(=O)(=O)N2CC(C)CC(C)C2)c(OC)cc1-c1cnc(C2CCCN2)nc1,MKPADQALTFBPEM-UHFFFAOYSA-N
-rxn:4:187644:226492,COCCOc1ccc(Cl)c(-c2cc(OC)c(S(=O)(=O)N3CC(C)CC(C)C3)cc2OC)c1,COEJFNXNRLQFIM-UHFFFAOYSA-N
-rxn:4:187655:224970,CN(Cc1cc(-c2ccc(S[Si](C)(C)C(C)(C)C)cc2)cc(C(C)(C)C)c1)C1CCCC1,OVSLWOZDLXQJRQ-UHFFFAOYSA-N
-rxn:4:187663:226062,Cc1cc(-c2cc(C(C)C)cc(C(C)C)c2)ccc1C1CCCN(C(=O)OC(C)(C)C)C1,FFNAOMCZXVEBMD-UHFFFAOYSA-N
-rxn:4:187681:226844,Cc1cc(-c2ccnc(C(=O)C(F)(F)F)c2)cc(C2CCN(C(=O)OC(C)(C)C)CC2C)c1,UOFXGMNWGRLRHT-UHFFFAOYSA-N
-rxn:4:187686:225758,CC(C)(C)OC(=O)c1cnccc1-c1cccc(C(=O)c2ccccc2CN2CCC3(CC2)OCCO3)c1,HIBOJPGHDWFLQJ-UHFFFAOYSA-N
-rxn:4:187802:224569,O=C1c2ccccc2C(=O)N1Cc1cc(-c2cc(F)cc(OCC3CCCCC3)c2)ccc1OC(F)(F)F,FKDLIIOIJHFMSS-UHFFFAOYSA-N
-rxn:4:187896:224485,COc1ccc2cc(C(=O)C(C)=CN(C)C)ccc2c1-c1ccn([Si](C(C)C)(C(C)C)C(C)C)c1,QMTFDWAHRXSTJE-UHFFFAOYSA-N
-rxn:4:187916:223179,CONC(=O)c1cc(-c2c(OC)cc(OC)c(C34CCN(C)CC3O4)c2OC)ccc1F,XGSNBNIPLMANKI-UHFFFAOYSA-N
-rxn:4:187916:226844,COc1cc(OC)c(C23CCN(C)CC2O3)c(OC)c1-c1ccnc(C(=O)C(F)(F)F)c1,WSYKFUUSKCALGE-UHFFFAOYSA-N
-rxn:4:187933:224481,CC1CCN(C(=O)COc2ccc3ccccc3c2-c2ccc(OCCCN3CCCC3)cc2)CC1,BJWXAWHIUMKTHC-UHFFFAOYSA-N
-rxn:4:187939:224188,CC(C)N(C(=O)c1ccc(-c2ccc(N(C(=O)c3cc4ccccc4oc3=O)C3C=CS(=O)(=O)C3)cc2)c(Cl)c1)C(C)C,KAPBJASGMABSEK-UHFFFAOYSA-N
-rxn:4:187943:224791,COc1ccc(-c2ccc(C(=O)OC(C)C)cc2[N+](=O)[O-])c2c1CCN(C(=O)OC(C)(C)C)CC2,VQKNNJTXNRZICG-UHFFFAOYSA-N
-rxn:4:187944:224365,CCCCOc1cc(-c2ccc3c(c2)OCCCC3OCCN2CCOCC2)cc(C(F)(F)F)c1F,LNAOUAVLWCNUIM-UHFFFAOYSA-N
-rxn:4:187948:223279,COc1ccc(-c2cnc(C3CCCN3)nc2)c(C(=O)N2C3CCC2CC(S(C)(=O)=O)C3)c1,CSTLEKNRXLLTJF-UHFFFAOYSA-N
-rxn:4:187968:223999,CC1CCN(S(=O)(=O)c2ccc(F)c(-c3ccc4c(ccn4[Si](C(C)C)(C(C)C)C(C)C)c3)c2)CC1,FGXGKOWDGOWJOX-UHFFFAOYSA-N
-rxn:4:187971:224325,CC(C)[Si](C(C)C)(C(C)C)n1ccc2ccc(-c3ccc(C4=CCN(S(C)(=O)=O)CC4)cc3)cc21,RUUHYRBSPLKNFH-UHFFFAOYSA-N
-rxn:4:187985:226844,CC(C)(C)OC(=O)N1CCC2(c3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3)CCOCC12,DYEOHMVOAKGRJP-UHFFFAOYSA-N
-rxn:4:187996:225070,CC(C)(C)OC(=O)N1CCC(C2CC(=O)c3ccc(-c4ccc(-c5ccc(F)cc5)c(F)c4)cc3O2)CC1,AIPRPITWPMTGPZ-UHFFFAOYSA-N
-rxn:4:188005:225312,COc1ccc(CN2C(=O)C3C(c4ccc(-c5cnc(N6CCCN(C)CC6)nc5)cc4)OC4(C(=O)c5ccccc5C4=O)C3C2=O)cc1,UANPDKIQCVFPKD-UHFFFAOYSA-N
-rxn:4:188026:226844,CC(C)c1ccc(C2c3c(oc4ccc(-c5ccnc(C(=O)C(F)(F)F)c5)cc4c3=O)C(=O)N2CC2CCCO2)cc1,XBSFZJMRGANRTF-UHFFFAOYSA-N
-rxn:4:188151:223591,CC(C)(C)OC(=O)N1CCN(c2ccc(F)c(-c3cc(N=C=S)ccc3OC(F)(F)F)c2)CC1,OTXFINVXZMOXIJ-UHFFFAOYSA-N
-rxn:4:188187:223843,CCN(CC)S(=O)(=O)c1ccc(-c2ccc(F)c(OC(F)F)c2[N+](=O)[O-])c(C(F)(F)F)c1,CJQZLCDPABVQNP-UHFFFAOYSA-N
-rxn:4:188578:223573,COC(=O)c1cnc(OC)c(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)cc2)c1,KZMWUHGQZMOWNT-UHFFFAOYSA-N
-rxn:4:188879:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3ccc(F)cc3C(=O)N(C)OC)c2)CC1,OKHOFSCJSBCZKF-UHFFFAOYSA-N
-rxn:4:189507:224412,O=S(=O)(c1cc(-c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)cc(C(F)(F)F)c1)N1CCC1,RURRMECFZRMJFK-UHFFFAOYSA-N
-rxn:4:189594:222632,COc1ccc(C=C2N=C(SC)SC2=O)cc1-c1cccc(C(=O)NCCN2CCCC2)c1,VVTVRXLOJCSNOB-UHFFFAOYSA-N
-rxn:4:189657:223492,COc1c(C(C)=O)cc(-c2ccc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c(C)c2)cc1N(C)C,OLHNUEAGJQMMLS-UHFFFAOYSA-N
-rxn:4:189702:224367,CC(C)COc1cc(-c2ccc(C(=O)N3CCC(S(C)(=O)=O)C3)o2)ccc1OC(F)(F)F,PXADLUHZJLTJPN-UHFFFAOYSA-N
-rxn:4:189703:224313,COC(=O)C1CC(=O)N(c2cccc(-c3ccc(Cl)c(C(=O)N4CCN(C)CC4)c3)c2)C1,BYVBUHBBNOFSFL-UHFFFAOYSA-N
-rxn:4:189808:223525,CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(-c3ccccc3C(=O)CN3CCOCC3)c2)CC1,KYHSKOHQKZYUPP-UHFFFAOYSA-N
-rxn:4:189866:224194,CCN1CCN(Cc2ccc(-c3cc(C(F)(F)F)cc(S(=O)(=O)N4CCCC4)c3)cc2Cl)CC1,PZLXYYUVVXGAAD-UHFFFAOYSA-N
-rxn:4:189866:224803,CC(C)Oc1ccc(OC(F)(F)F)c(-c2cc(C(F)(F)F)cc(S(=O)(=O)N3CCCC3)c2)c1,SQAJHGPHJUHRMA-UHFFFAOYSA-N
-rxn:4:189999:223542,CN1CCN(S(=O)(=O)c2cc(-c3ccc(C(C#N)C4CCCCC4)cc3)ccc2OC(F)(F)F)CC1,MHRLFZXFPICCKD-UHFFFAOYSA-N
-rxn:4:190015:222729,CCCc1cc(-c2cc(S(=O)(=O)N3CCOCC3)ccc2OC)cc(C2CCCNC2)n1,WUEFUYFIFUDDDZ-UHFFFAOYSA-N
-rxn:4:190053:225061,CC1CCN(c2ccc(-c3cccc(C(F)(F)F)c3C(=O)N3CCCCC3)c(F)c2)CC1,DSSBCSPENUIQDK-UHFFFAOYSA-N
-rxn:4:190108:222706,CC1CN(C(=O)Cc2cccc(-c3cc(C4CCNCC4)ccc3C(F)(F)F)c2)CCO1,CDVRRZUNXABLFM-UHFFFAOYSA-N
-rxn:4:190167:225282,CCC(C)c1ncc(-c2cc(CN3CCC(F)(F)CC3)cc(C(F)(F)F)c2)cc1C(F)(F)F,IALQEUIPCAGIMO-UHFFFAOYSA-N
-rxn:4:190173:225573,COC(=O)c1cc(-c2cc(S(=O)(=O)N3CCC(C(F)(F)F)CC3)c(F)cc2F)cc(C2CC2)c1,UUCCYOACCZHUMO-UHFFFAOYSA-N
-rxn:4:190173:226844,O=C(c1cc(-c2cc(S(=O)(=O)N3CCC(C(F)(F)F)CC3)c(F)cc2F)ccn1)C(F)(F)F,ZYZOEFVBRIRCFM-UHFFFAOYSA-N
-rxn:4:190228:224396,Cc1cc(-c2ccc(C3CCCN3S(=O)(=O)C3CC3)cc2)ccc1S(=O)(=O)N1CCOCC1,MMSKCJGIGNLGAE-UHFFFAOYSA-N
-rxn:4:190228:224659,CN1CCN(C(=O)c2cccc(-c3ccc(C4CCCN4S(=O)(=O)C4CC4)cc3)c2)CC1,PNAAQAQPDUKZCZ-UHFFFAOYSA-N
-rxn:4:190246:223534,COc1ccc(C=C2N=C(c3ccc(-c4cc(OC5CCN(C(=O)OC(C)(C)C)CC5)ncc4F)cc3)OC2=O)cc1,FEJGDCFZKCTPEG-UHFFFAOYSA-N
-rxn:4:190247:222514,COc1cccc(C=C2N=C(c3ccc(-c4ccc(OC)c(S(=O)(=O)NC5CCCCC5)c4)cc3)OC2=O)c1,HOOWOZSGVLMYQM-UHFFFAOYSA-N
-rxn:4:190274:223595,COc1cc(S(=O)(=O)N2CCOCC2)c(C)cc1-c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)c(F)c1,RBZBSKYAUYNAJN-UHFFFAOYSA-N
-rxn:4:190287:225426,CCN(CC)C(C)c1ccc(-c2ccc(C3CCN(C(C)=O)CC3)c(C(F)(F)F)c2)cc1,WLBMOCJNZCMIRT-UHFFFAOYSA-N
-rxn:4:190326:224251,CC1CCCN(C(=O)c2ccc(-c3ccc(C4CCN(C(=O)C5CC5)CC4)cc3)c(F)c2)C1,OMOPZWGXWQVKQI-UHFFFAOYSA-N
-rxn:4:190327:222817,COc1ccc(S(=O)(=O)NC2CC2)cc1-c1cc(S(C)(=O)=O)ccc1CN1CCCCC1,IPKIFQQDPBRKPS-UHFFFAOYSA-N
-rxn:4:190330:222646,Cc1cc(NC(=O)OC(C)(C)C)cc(C)c1-c1ccc(C2CCCN2S(=O)(=O)C(C)C)cc1,FAOUCQBQQBMPEZ-UHFFFAOYSA-N
-rxn:4:190340:224372,CC(c1cccc(-c2cc(C(=O)N3CCCC3)cc([N+](=O)[O-])c2)c1)N1CCC(C(F)(F)F)CC1,HFOYNOOLPHZKMI-UHFFFAOYSA-N
-rxn:4:190355:224991,CC1CCN(S(=O)(=O)c2cc(-c3cc(C4CC4)nc(N4CCCC4)c3)cc(C(F)(F)F)c2)CC1,GGTBUEHBOCSMAF-UHFFFAOYSA-N
-rxn:4:190355:225905,CON(C)C(=O)c1ccc(-c2cc(C(F)(F)F)cc(S(=O)(=O)N3CCC(C)CC3)c2)c(Cl)c1,PQCGICPFTDDKIA-UHFFFAOYSA-N
-rxn:4:190380:223481,COc1cc(S(=O)(=O)N2CCCCCC2)ccc1-c1ccc(S(=O)(=O)N2CCC(O[Si](C)(C)C(C)(C)C)CC2)cc1F,BBBWIIQBJLRDOI-UHFFFAOYSA-N
-rxn:4:190380:224634,COc1ccc(-c2ccc(S(=O)(=O)N3CCCCCC3)cc2OC)cc1CN1CCOCC1,NQVKNLMSMGWGBP-UHFFFAOYSA-N
-rxn:4:190442:224374,COc1ccc(S(=O)(=O)N2CCCC2)cc1-c1cc(S(=O)(=O)N2CCCC(C)C2)c(OC)cc1C,ZOVDAZJZZJUVBE-UHFFFAOYSA-N
-rxn:4:190446:224772,Cc1cc(N2CCCC(C(=O)C(C)C)C2=O)ccc1-c1ccc(C(=O)N2CCOCC2)cc1Cl,QYSZTTFDAZVXME-UHFFFAOYSA-N
-rxn:4:190472:224328,CCC1CCCCN1S(=O)(=O)c1cc(C)c(C)cc1-c1cccc(S(=O)(=O)N2CCCCC2C)c1,DGLXKBHFYBEZKP-UHFFFAOYSA-N
-rxn:4:190488:222497,COc1cc(C)c(-c2ccc(NC(=O)OCc3ccccc3)c(Cl)c2)cc1S(=O)(=O)N1CC(C)CC(C)C1,BCSFMSMMESACSK-UHFFFAOYSA-N
-rxn:4:190488:226888,COc1cc(C)c(-c2cc(Cl)c(F)c(C(F)(F)F)c2)cc1S(=O)(=O)N1CC(C)CC(C)C1,FVSLEOVJOPPBLH-UHFFFAOYSA-N
-rxn:4:190826:223929,CC(C)(C)OC(=O)N1CCc2cc(-c3ccc4c(c3)C(=O)N(C(=O)OC(C)(C)C)C4)cnc2C1,GFGZYAPEFQLZQI-UHFFFAOYSA-N
-rxn:4:190851:223562,CC(C)(C)OC(=O)N1CCC(Cc2ccc(-c3ccc4c(c3)N(C(=O)OC(C)(C)C)CC4)cc2)CC1,WFHHVXPRVWWCJM-UHFFFAOYSA-N
-rxn:4:190934:222918,CC(C)(C)NS(=O)(=O)c1cccc(-c2ccc3c(c2)C(=O)N(C(=O)OC(C)(C)C)CC3)c1,GBJAJBATRYZIOO-UHFFFAOYSA-N
-rxn:4:190955:224489,CC(C)N(Cc1ccc(F)cc1-c1cccc2c1CN(C(=O)OC(C)(C)C)CC2)C(C)C,QYWYKZSJKZHVCJ-UHFFFAOYSA-N
-rxn:4:190959:222940,CC(C)(C)NS(=O)(=O)c1cncc(-c2cc3c(s2)CCCN(C(=O)OC(C)(C)C)C3)c1,JAVVQFZEAVRXKO-UHFFFAOYSA-N
-rxn:4:190962:224931,CCN(CC)c1cc(-c2ccc(CC(=O)N3C4CCC3CC(F)C4)cc2)cc(C2CC2)n1,JFWZGVDBVSYZFX-UHFFFAOYSA-N
-rxn:4:190967:222912,CC(C)CNS(=O)(=O)c1ccc(-c2ccc3c(c2F)CN(C(=O)OC(C)(C)C)CC3)cc1,YALJSHIMFCJVJH-UHFFFAOYSA-N
-rxn:4:191030:222545,CC(C)(C)OC(=O)NC(C)(C)c1ccc(-c2ccc3c(c2)C(C)(C)N(C(=O)OC(C)(C)C)C3)cc1,BIFMDVFGBAIUSH-UHFFFAOYSA-N
-rxn:4:191034:223102,CC(C)(C)NS(=O)(=O)c1sccc1-c1ccc2c(c1)CCCN(C(=O)OC(C)(C)C)C2,CILNVDGLXZAQBB-UHFFFAOYSA-N
-rxn:4:191062:222960,Cc1cc(-c2ccccc2S(=O)(=O)N2C3CCC2CC(S(C)(=O)=O)C3)cc(C2CCNCC2)c1,NLIDGIUVMLYTOE-UHFFFAOYSA-N
-rxn:4:191062:225445,CS(=O)(=O)C1CC2CCC(C1)N2S(=O)(=O)c1ccccc1-c1ccccc1OC1CCCCC1,URHFDFJTMOWTSK-UHFFFAOYSA-N
-rxn:4:191072:223279,CC(C)(C)OC(=O)N1CCC2(CC1)OCc1cc(-c3cnc(C4CCCN4)nc3)sc12,DFGGTRAFLIATPG-UHFFFAOYSA-N
-rxn:4:191087:223887,Cc1c(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CCC3(C)C)n(C(=O)OC(C)(C)C)c2ccccc12,BDEYROJSLSRYGT-UHFFFAOYSA-N
-rxn:4:191087:225293,CC(C)Oc1cc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CCC3(C)C)ccc1C(F)(F)F,YXKAJMNKMFLSQA-UHFFFAOYSA-N
-rxn:4:191087:225562,CC(C)(C)OCc1cc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CCC3(C)C)ccc1F,RNSHFKUDZAWJAM-UHFFFAOYSA-N
-rxn:4:191095:223505,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(-c3ccccc3S(=O)(=O)N3CCC(c4ccc5c(c4)CCO5)C3)cc2)CC1,NWYHITDFHMBCCT-UHFFFAOYSA-N
-rxn:4:191097:224059,COc1c(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)cc(C(C)(C)C)cc1C(C)(C)C,RNGFXHFRNBNYLS-UHFFFAOYSA-N
-rxn:4:191098:223279,CC(C)(C)OC(=O)N1CCC2(CC(=O)c3cc(-c4cnc(C5CCCN5)nc4)ccc3O2)C1,QYJMWOZRWHTVOD-UHFFFAOYSA-N
-rxn:4:191100:223279,CC(C)(C)OC(=O)N1C(=O)C2(CCOCC2)c2ccc(-c3cnc(C4CCCN4)nc3)cc21,PWDBQLDTGUGHET-UHFFFAOYSA-N
-rxn:4:191113:224251,Cc1ccc(C(=O)C2=CN(c3ccc(-c4ccc(C(=O)N5CCCC(C)C5)cc4F)cc3)c3cc(F)ccc3S2(=O)=O)cc1,UQDZCDMAVRELEU-UHFFFAOYSA-N
-rxn:4:191116:223179,CONC(=O)c1cc(-c2ccc3c(c2)C(=O)CC32CCN(C(=O)OC(C)(C)C)CC2)ccc1F,DMFKGXIWVNKKOG-UHFFFAOYSA-N
-rxn:4:191116:223279,CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)c1cc(-c3cnc(C4CCCN4)nc3)ccc12,HUIGNBLCFYZYSD-UHFFFAOYSA-N
-rxn:4:191117:223179,CONC(=O)c1cc(-c2cccc3c2C2(CCN(C(=O)OC(C)(C)C)CC2)CC3=O)ccc1F,PYLDTYGSWXQADT-UHFFFAOYSA-N
-rxn:4:191120:223179,CONC(=O)c1cc(-c2cc3c(cc2F)CC2(CCN(C(=O)OC(C)(C)C)CC2)C3=O)ccc1F,BQCMYVHAINRRNK-UHFFFAOYSA-N
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-rxn:4:200482:223180,CCN1CCN(Cc2ccc(OC(F)(F)F)c(-c3ccc(C(=O)NOC)c(F)c3)c2)CC1,LPFHOGSTCAXLLY-UHFFFAOYSA-N
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-rxn:4:200520:223174,CCS(=O)(=O)Nc1ccc(-c2ccc(CCC(=O)N3CCC(N4C(=O)CSC4=O)C3)cc2)cc1,MVUOZAKJVABDPQ-UHFFFAOYSA-N
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-rxn:4:200832:224803,COc1cc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c(OC)cc1-c1cc(OC(C)C)ccc1OC(F)(F)F,BVSDLDFSGCCQSE-UHFFFAOYSA-N
-rxn:4:200835:222548,N#Cc1ccc(NC(=O)c2ccc(-c3ccc(OCc4ccc(Cl)cc4)c(C=C4SC(N5CCOCC5)=NC4=O)c3)cc2)cc1,BMTKEWLUTVZCLF-UHFFFAOYSA-N
-rxn:4:200838:226295,CC(C)OCc1ccc(F)cc1-c1ccccc1CCC(=O)N1CCCN(C2CCOC2)CC1,SWVLMRPTMVKVFZ-UHFFFAOYSA-N
-rxn:4:200839:226844,COc1c(-c2ccnc(C(=O)C(F)(F)F)c2)cccc1N1CCN(C(=O)OC(C)(C)C)C(C)C1,NWMASWIDQUVZIW-UHFFFAOYSA-N
-rxn:4:200843:223638,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cccc(C4CCCN(C(=O)OC(C)(C)C)C4)c3)c(C3CC3)c2)CC1,AZBQAJKWUBQKDW-UHFFFAOYSA-N
-rxn:4:200844:223179,CONC(=O)c1cc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c(C3CC3)c2)ccc1F,ADNYUGZXFMFNEE-UHFFFAOYSA-N
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-rxn:4:200848:223228,CCC(=O)Nc1ccc(-c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)ccc2C2CC2)cc1,TVULXNJMKYNWRO-UHFFFAOYSA-N
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-rxn:4:200866:223253,CCCCNc1ncc(-c2cccc(C(C)N3CCN(C(=O)OC(C)(C)C)CC3C)c2)cn1,WXQIYXSVYHCEGA-UHFFFAOYSA-N
-rxn:4:200869:225913,CCOc1ccc(-c2cc(C)cc(CN3CCN(C(=O)OC(C)(C)C)C(C)C3)c2)cc1C(F)(F)F,XQSDDESJOFDZQA-UHFFFAOYSA-N
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-rxn:4:200878:223176,COc1ccc(S(=O)(=O)N2CCOC23CCN(C(=O)c2ccc(-c4cccc(CNS(C)(=O)=O)c4)o2)CC3)cc1,HLWNLVSBZXTBSH-UHFFFAOYSA-N
-rxn:4:200883:225451,CC(C)(C)OC(=O)N1CCC2(CC1)CN(Cc1ccccc1-c1ccc(SC3CCCCC3)cc1)C2,ZFSXEJXQFVVCND-UHFFFAOYSA-N
-rxn:4:200885:226844,COC(=O)C1CCN(Cc2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2N2CCCCC2)CC1,HMGSVVFWWMJPIO-UHFFFAOYSA-N
-rxn:4:200895:226016,O=C(c1ccc(-c2ccc(OCC(F)(F)F)cc2Cl)cc1)N1CCCCC1CCN1CCCCCC1,MRYWPWQCHISWMP-UHFFFAOYSA-N
-rxn:4:201012:222919,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc3c(C(C)(C)C#N)cn(C(=O)OC(C)(C)C)c3c2)cc1,OHGGORVJZSGMSN-UHFFFAOYSA-N
-rxn:4:201029:223499,CC(C)(C)OC(=O)Cn1cnc2c(-c3ccc(-c4ccc(Cl)c(C(=O)N5CCN(C(=O)OC(C)(C)C)CC5)c4)cc3)csc2c1=O,IIAOCMRFXCBYQU-UHFFFAOYSA-N
-rxn:4:201071:223742,CCOC(=O)C1=C(C)N=C2SCCC(=O)N2C1c1cc(-c2ccc(C(=O)N(CC)Cc3ccccc3)cc2)ccc1OC,XXPMOEAXIIHEMV-UHFFFAOYSA-N
-rxn:4:201071:223965,CCOC(=O)C1=C(C)N=C2SCCC(=O)N2C1c1cc(-c2ccc(Oc3cccc(C(F)(F)F)c3)cc2)ccc1OC,XDYQVCVRYVKGJE-UHFFFAOYSA-N
-rxn:4:201072:223179,CCC1SC2=NC(C)=C(C(=O)OC)C(c3cc(-c4ccc(F)c(C(=O)NOC)c4)ccc3OC)N2C1=O,PUUDFZUUINRWHB-UHFFFAOYSA-N
-rxn:4:201089:227781,CC(C)(C)OC(=O)N1CCN(C(=O)c2cc3cc(-c4cnc(Cl)cc4C(F)(F)F)ccc3s2)CC1,PKNFPCVZCOZKTO-UHFFFAOYSA-N
-rxn:4:201091:225312,COc1cc(-c2cnc(N3CCCN(C)CC3)nc2)cc2cc(C(=O)N3CCN(C(=O)c4ccco4)CC3)c(=O)oc12,YCYPXSFATCRMAP-UHFFFAOYSA-N
-rxn:4:201099:223179,CONC(=O)c1cc(-c2cccc(C3C(C(=O)OCC(C)C)=C(C)N=C4SC(C)C(=O)N43)c2)ccc1F,CXWQHOHVGKPSPA-UHFFFAOYSA-N
-rxn:4:201099:224771,CC1=C(C(=O)OCC(C)C)C(c2cccc(-c3ccc(C)c(S(=O)(=O)N4CCCC4)c3)c2)N2C(=O)C(C)SC2=N1,RKLGVVBLBGZGDZ-UHFFFAOYSA-N
-rxn:4:201101:223179,CONC(=O)c1cc(-c2ccc(C3C(C(=O)OCC(C)C)=C(C)N=C4SC(C)C(=O)N43)cc2)ccc1F,NYIFNHVWMYDUDF-UHFFFAOYSA-N
-rxn:4:201109:223179,CONC(=O)c1cc(-c2ccc3c(c2)N(CC2CCN(C(=O)OC(C)(C)C)C2)C(=O)CO3)ccc1F,OXAQCEHACBVMQZ-UHFFFAOYSA-N
-rxn:4:201133:222506,CC(C)(C)OC(=O)N1CCC(CN2Cc3cc(-c4ccc(C(=O)NCc5cccc(F)c5)cc4Cl)ccc3C2=O)CC1,OIFIVTLSRLYVMD-UHFFFAOYSA-N
-rxn:4:201134:222752,Cc1cc(NC(=O)OC(C)(C)C)ccc1-c1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c2ccccc12,ULWRRERAWSEAEG-UHFFFAOYSA-N
-rxn:4:201150:227047,CC(C)(C)OC(=O)N1CCC(CN2CCc3cc(-c4cccc(SC5CCC5)c4)ccc3C2)CC1,REDJKEQUQWJTHZ-UHFFFAOYSA-N
-rxn:4:201184:224720,CC(C)(C)OC(=O)n1cc(-c2ccc3oc4c(c(=O)c3c2)C(c2ccccc2)N(CCCN2CCOCC2)C4=O)c(C2CC2)n1,KWBKGUOQZUPKDK-UHFFFAOYSA-N
-rxn:4:201301:223559,COC(=O)C(C)Cn1cc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)cn1,MWGMBLAWAOUDOI-UHFFFAOYSA-N
-rxn:4:201521:222514,COc1ccc(-c2ccc([N+](=O)[O-])cc2CN(C)C2CC2)cc1S(=O)(=O)NC1CCCCC1,CDYHUEHTPPVTFP-UHFFFAOYSA-N
-rxn:4:201559:222543,COC(=O)c1c(-c2ccc(C3(NC(=O)OC(C)(C)C)CC3)cc2)c(CC(C)C)nn1C,WPXKAMRBVWUTFK-UHFFFAOYSA-N
-rxn:4:201564:223898,CCc1nc(-c2ccc(N(C(=O)OC(C)(C)C)C(C)C)cc2)cn1C(=O)OC(C)(C)C,YYIULFVWZAUETJ-UHFFFAOYSA-N
-rxn:4:201572:224198,CCOC(=O)c1nc(-c2ccc(CN3CCN(CC)CC3)cc2F)sc1N1CCOCC1,RTJSFKALYZFOER-UHFFFAOYSA-N
-rxn:4:201595:223687,CN(C(=O)OC(C)(C)C)c1ccc(-c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2)cn1,ZUJPYVRUJMEEJB-UHFFFAOYSA-N
-rxn:4:201598:223582,COC(=O)c1ccc2cc(-c3cncc(N(C)C(=O)OC(C)(C)C)c3)n(C(=O)OC(C)(C)C)c2c1,MKMDCQGKXQCMIT-UHFFFAOYSA-N
-rxn:4:201622:224703,CS(=O)(=O)N1CCN=C1SCc1ccc(-c2cc(C3CCCC3)cc(C(F)(F)F)c2)cc1,FTZJVQNAXGWMMM-UHFFFAOYSA-N
-rxn:4:201633:223689,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(C(=O)Cn4ccsc4=NC(C)=O)cc3)ccc2OC)CC1,ZEKIQUZVAMSAEI-UHFFFAOYSA-N
-rxn:4:201644:224778,CC(C)(C)OC(=O)N1CC(c2cc(-c3c(F)cc(OC4CCOCC4)cc3F)no2)C1,GMICJMICQCXEES-UHFFFAOYSA-N
-rxn:4:201683:223594,CC(C)c1nc(-c2cc(Cl)cc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)cn1C(=O)OC(C)(C)C,YJXTVJNVKJZUIS-UHFFFAOYSA-N
-rxn:4:201759:222430,O=C(Cc1cncc(-c2ccc(S(=O)(=O)Nc3ccc(OC(F)(F)F)cc3)cc2)c1)N1CCC(C(F)(F)F)CC1,GTHIIRXIRWSBTQ-UHFFFAOYSA-N
-rxn:4:201789:224788,CCCCOc1ncc(C(F)(F)F)cc1-c1cnc(C(=O)OCC)c(N2CCCCC2)c1,HMEKFJNMQLWFMV-UHFFFAOYSA-N
-rxn:4:201841:223508,O=C(C1CCC1)N1CCC(Oc2ccc(-c3ccc(N4CCN(S(=O)(=O)c5ccc(Cl)cc5)CC4)nc3)cn2)C1,YVNIZDRTNWSPPN-UHFFFAOYSA-N
-rxn:4:201906:226595,COc1ccc(-c2ccc(Cl)c(OC(C)C)c2F)c(C(=O)N2CC(N3C(=O)CCC3=O)C2)c1,YWJPZTZKSDXHAU-UHFFFAOYSA-N
-rxn:4:201927:224493,CC(C)(C)OC(=O)N1CCC(c2nc(-c3ccc(CO[Si](C)(C)C(C)(C)C)cc3)cs2)CC1,LBORVXGBXYBSED-UHFFFAOYSA-N
-rxn:4:201928:222912,CC(C)CNS(=O)(=O)c1ccc(-c2cccc(C3CCN(C(=O)OC(C)(C)C)C3)n2)cc1,MKHMUKQXYQOCBB-UHFFFAOYSA-N
-rxn:4:201932:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2ccnc(C3CCN(C(=O)OC(C)(C)C)C3)c2)cc1,HZPHEJPIJGDTPU-UHFFFAOYSA-N
-rxn:4:201979:222564,COc1ccc(-c2cccc(C(=O)NCc3ccc(Cl)cc3)c2)c(C(=O)N2CCC(N3C(=O)COC3=O)C2)c1,GDKNWHFQEKGHPO-UHFFFAOYSA-N
-rxn:4:201993:225979,CC(C)(C)OC(=O)N1CCOC(c2cccc(-c3cnc(N4CCOCC4)c(Cl)c3)n2)C1,HRSNQSBAQDCVFQ-UHFFFAOYSA-N
-rxn:4:201995:224407,CC(C)(C)OC(=O)N1CCOC(c2cc(-c3cccc(S(=O)(=O)N4CCC(F)(F)C4)c3)ccn2)C1,VBHDIPGJMLUUSN-UHFFFAOYSA-N
-rxn:4:201995:225982,CC(C)(C)OC(=O)N1CCOC(c2cc(-c3cnc(N4CCOCC4)cc3F)ccn2)C1,UTFXVEYNDQQLFA-UHFFFAOYSA-N
-rxn:4:201995:225984,CC(C)(C)OC(=O)N1CCOC(c2cc(-c3cnc(Cl)c(N4CCOCC4)c3)ccn2)C1,BNDVRMQAOQEOSX-UHFFFAOYSA-N
-rxn:4:201998:222912,CC(C)CNS(=O)(=O)c1ccc(-c2ccnc(C3COCCN3C(=O)OC(C)(C)C)c2)cc1,VDORZJXDRPOJNU-UHFFFAOYSA-N
-rxn:4:202020:224015,Cc1cc(F)c(-c2cnccc2C2CN(C(=O)OC(C)(C)C)CCO2)cc1S(=O)(=O)N1CCOCC1,GSGWEJUNKDIRQX-UHFFFAOYSA-N
-rxn:4:202020:225898,CC(C)(C)OC(=O)N1CCOC(c2ccncc2-c2cnn(CCN3CCOCC3)c2)C1,XILJEWGLGCRVAS-UHFFFAOYSA-N
-rxn:4:202068:223179,CONC(=O)c1cc(-c2cc(OC)c(S(=O)(=O)N3CCN(C)CC3)cc2OC)ccc1F,IZPIZURVCFWKFR-UHFFFAOYSA-N
-rxn:4:202068:226844,COc1cc(S(=O)(=O)N2CCN(C)CC2)c(OC)cc1-c1ccnc(C(=O)C(F)(F)F)c1,YQTLNVQYAIOSEL-UHFFFAOYSA-N
-rxn:4:202070:223935,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cc4cccc(F)c4n3C(=O)OC(C)(C)C)cc2)C(=O)C1,ZPSWQWDRMRJJPT-UHFFFAOYSA-N
-rxn:4:202107:222845,CC(c1ccc(-c2ccnc(C3CCCN(C(=O)OC(C)(C)C)C3)c2)cc1)N1CCNCC1,AHNUFEXMVRRPMA-UHFFFAOYSA-N
-rxn:4:202111:223661,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cc(C(=O)OCc4ccccc4)cc([N+](=O)[O-])c3)cc2)CC1,TVMHKHQQYNHMSZ-UHFFFAOYSA-N
-rxn:4:202113:222922,CC(C)(C)NS(=O)(=O)c1ccccc1-c1cccc(N2CCN(C(=O)OC(C)(C)C)CC2)c1,PVKQRRYXFYCHKU-UHFFFAOYSA-N
-rxn:4:202115:223738,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3ccc4cc(O[Si](C)(C)C(C)(C)C)ccc4c3)cn2)CC1,SDKKFXISIFYBQI-UHFFFAOYSA-N
-rxn:4:202122:222449,COc1cc(C(=O)N2CCC(N(C)C)CC2)ccc1-c1ccc(OC)c(S(=O)(=O)NCc2ccccc2)c1,ABYDRHSCEMXYQU-UHFFFAOYSA-N
-rxn:4:202127:224249,CC1CCCN(C(=O)c2ccc(F)c(-c3cnccc3C3CCN(C(=O)OC(C)(C)C)CC3)c2)C1,YRBPGTBPTJYAFY-UHFFFAOYSA-N
-rxn:4:202128:223179,CONC(=O)c1cc(-c2cncc(N3CCC(C(=O)OC(C)(C)C)CC3)c2Cl)ccc1F,SBFAABIUSGVLLI-UHFFFAOYSA-N
-rxn:4:202141:223179,CONC(=O)c1cc(-c2ccc(C(F)(F)F)cc2CN2CCN(C(C)C)CC2)ccc1F,HWMCGEAZOUINJX-UHFFFAOYSA-N
-rxn:4:202142:223179,CONC(=O)c1cc(-c2cc(C(=O)OC(C)(C)C)cc(N3CCC(F)(F)CC3)n2)ccc1F,NCZAWZZGZCNAJZ-UHFFFAOYSA-N
-rxn:4:202143:224797,CCCCOc1c(F)c(F)c(-c2cc(S(=O)(=O)N3CCN(C(C)=O)CC3)c(OC)cc2C)c(F)c1F,FYBCWPXYZRMWAA-UHFFFAOYSA-N
-rxn:4:202152:222604,COc1ccc(-c2ccc(C3CC(c4ccco4)=NN3C(=O)C3CCCO3)cc2)cc1S(=O)(=O)NC1CCCC1,WKZFUPLOFOIEOV-UHFFFAOYSA-N
-rxn:4:202166:223179,CONC(=O)c1cc(-c2cccc(CN3CCCN(S(=O)(=O)C4CC4)CC3)c2)ccc1F,KEWVMFOSDSXFIM-UHFFFAOYSA-N
-rxn:4:202166:226854,COc1ccc(F)c(-c2cccc(CN3CCCN(S(=O)(=O)C4CC4)CC3)c2)c1[N+](=O)[O-],SNHZIHZBRYKTME-UHFFFAOYSA-N
-rxn:4:202168:223179,CONC(=O)c1cc(-c2ccc(CN3CCOC(C(=O)N4CCCC4)C3)cc2)ccc1F,OQJYBILHBBLVGG-UHFFFAOYSA-N
-rxn:4:202175:223227,CC(NC1CC1)c1ccc(-c2ccc(S(=O)(=O)N3CCCC3C(=O)N3CCOCC3)cc2)s1,YHZZLEVKRQZTBK-UHFFFAOYSA-N
-rxn:4:202182:224373,COc1ccc(-c2cc(C(F)(F)F)ccc2N2CCN(Cc3ccccc3)CC2)cc1S(=O)(=O)N1CCCC1,NFDZPJRPLNAJOC-UHFFFAOYSA-N
-rxn:4:202196:223279,O=S1(=O)CCC(CN2CCC(Oc3ccncc3-c3cnc(C4CCCN4)nc3)C2)CC1,ZCCNUYIUPABPEX-UHFFFAOYSA-N
-rxn:4:202200:226844,O=C(C1CN(Cc2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2)CCO1)N1CCOCC1,SBZBKWRNVAIZLR-UHFFFAOYSA-N
-rxn:4:202225:225518,CCCCCOc1ncc(C)cc1-c1cccc(C2CCN(C(=O)OC(C)(C)C)CC2C)n1,MAYCJPAPIYDPSZ-UHFFFAOYSA-N
-rxn:4:202229:225568,COC(=O)C(C)(C)c1ccc(-c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)ccc2C)cc1,BRWKVXWJAVBROM-UHFFFAOYSA-N
-rxn:4:202229:225721,CCN(CC)C(=O)c1ccc(-c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)ccc2C)cn1,URMZKSAPSGKGAM-UHFFFAOYSA-N
-rxn:4:202230:223530,Cc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)c(-c2cc(F)ccc2CN2CCN(C(=O)OC(C)(C)C)CC2)c1,YVHZNMZHQZBEEK-UHFFFAOYSA-N
-rxn:4:202231:223491,Cc1cc(-c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)cc(C(F)(F)F)c2)ccc1N1CCN(C(=O)OC(C)(C)C)CC1,URTQSWMBXPWVJS-UHFFFAOYSA-N
-rxn:4:202234:223775,COc1ccc2c(c1)c(-c1cccc(N3CCN(C(=O)OC(C)(C)C)CC3)c1C)cn2C(=O)OC(C)(C)C,GHCSIFODABPJNG-UHFFFAOYSA-N
-rxn:4:202270:223179,CONC(=O)c1cc(-c2cccc(CN3CCCC(C(=O)N4CCOCC4)C3)c2)ccc1F,IAVORSFYCOXWJE-UHFFFAOYSA-N
-rxn:4:202272:225363,O=C(c1ccc(-c2ccc(CN3CCCC(C(=O)N4CCSCC4)C3)cc2)cn1)N1CC(F)(F)C1,QBCXOYFVCPUGOU-UHFFFAOYSA-N
-rxn:4:202286:226844,CC(=O)N1CCN(S(=O)(=O)c2cc(C)c(-c3ccnc(C(=O)C(F)(F)F)c3)cc2C(C)C)CC1,OHLMRQFVZCLRFJ-UHFFFAOYSA-N
-rxn:4:202291:226479,CCCCOc1nccc(-c2ccc(CN3CCCC(C(F)(F)F)C3)c(N3CCOCC3)c2)c1Cl,DQLZCCWFMSHISL-UHFFFAOYSA-N
-rxn:4:202292:223179,CONC(=O)c1cc(-c2ccc(CN3CCC(C(F)(F)F)CC3)c(N3CCOCC3)c2)ccc1F,JCEXHDPVHFYLQT-UHFFFAOYSA-N
-rxn:4:202307:226844,CCN1CCN(S(=O)(=O)c2cc(C)c(-c3ccnc(C(=O)C(F)(F)F)c3)cc2C(C)C)CC1,HBGNVFZLBLCMLT-UHFFFAOYSA-N
-rxn:4:202310:222420,NS(=O)(=O)c1ccccc1-c1ccc(S(=O)(=O)N2CCCSCC2CN2CCOCC2)cc1,MIVDBGADPAMWNK-UHFFFAOYSA-N
-rxn:4:202310:224368,CN(C(=O)OC(C)(C)C)c1cc(-c2ccc(S(=O)(=O)N3CCCSCC3CN3CCOCC3)cc2)cnc1Cl,MJRDSQKJVXIVTL-UHFFFAOYSA-N
-rxn:4:202311:222617,O=C(NCc1ccccc1)c1cccc(-c2ccc(CN3CCC(C(=O)N4CCC(F)(F)CC4)CC3)cc2)c1,FTHALXZSJAURLB-UHFFFAOYSA-N
-rxn:4:202313:226274,CC(C)Oc1ccc(-c2ccccc2CN2CCC(C(=O)N3CCC(F)(F)CC3)CC2)cc1C#N,KDYYUGNQQDGEHZ-UHFFFAOYSA-N
-rxn:4:202321:222882,CC(C)(C)NC(=O)c1ccc(F)cc1-c1ccc(CN2CCCC(C(F)(F)F)C2)c(N2CCCCC2)c1,NWKXXZZUFHTLCK-UHFFFAOYSA-N
-rxn:4:202321:226844,O=C(c1cc(-c2ccc(CN3CCCC(C(F)(F)F)C3)c(N3CCCCC3)c2)ccn1)C(F)(F)F,UMZJYSSTKGLSCY-UHFFFAOYSA-N
-rxn:4:202328:222755,COC1CCN(C2CCN(S(=O)(=O)c3ccccc3-c3ccc(C(=O)NCc4cccs4)cc3)CC2)CC1,HVPNKXMWQZTJRY-UHFFFAOYSA-N
-rxn:4:202328:226155,COC1CCN(C2CCN(S(=O)(=O)c3ccccc3-c3cc(C(C)=O)cc(C4CC4)c3)CC2)CC1,KKXBTVKISJWGCT-UHFFFAOYSA-N
-rxn:4:202328:226172,COC1CCN(C2CCN(S(=O)(=O)c3ccccc3-c3cc(N4CCCC4)ccc3C)CC2)CC1,OBDNYVDNPYNYOL-UHFFFAOYSA-N
-rxn:4:202328:226180,COC1CCN(C2CCN(S(=O)(=O)c3ccccc3-c3cc(C)nc(C4CCCC4)c3)CC2)CC1,BNMGSBXAMDXUJW-UHFFFAOYSA-N
-rxn:4:202328:226181,COC1CCN(C2CCN(S(=O)(=O)c3ccccc3-c3ccc(C4=CCCCC4)nc3)CC2)CC1,YEOKWFAFOBSQLM-UHFFFAOYSA-N
-rxn:4:202328:226185,COC1CCN(C2CCN(S(=O)(=O)c3ccccc3-c3ccc(C4CCOCC4)cc3)CC2)CC1,SZGNMPYSRIVDSG-UHFFFAOYSA-N
-rxn:4:202328:226186,COC1CCN(C2CCN(S(=O)(=O)c3ccccc3-c3ccccc3C3CCOCC3)CC2)CC1,ZQBKJQFDBXOAGC-UHFFFAOYSA-N
-rxn:4:202328:226187,COC1CCN(C2CCN(S(=O)(=O)c3ccccc3-c3cccc(C4CCOCC4)c3)CC2)CC1,PROXOBXPDVYONX-UHFFFAOYSA-N
-rxn:4:202328:226921,COC1CCN(C2CCN(S(=O)(=O)c3ccccc3-c3cc(C4CC4)c(C)cc3C)CC2)CC1,MBECRYVWXRWSRO-UHFFFAOYSA-N
-rxn:4:202328:227836,COC1CCN(C2CCN(S(=O)(=O)c3ccccc3-c3ccc(C)cc3C3CC3)CC2)CC1,BHZVZBLSHMTGPD-UHFFFAOYSA-N
-rxn:4:202328:227838,COC1CCN(C2CCN(S(=O)(=O)c3ccccc3-c3cc(C)ccc3C3CC3)CC2)CC1,HBCYMWMETFGRDF-UHFFFAOYSA-N
-rxn:4:202328:227839,COC1CCN(C2CCN(S(=O)(=O)c3ccccc3-c3c(C)cccc3C3CC3)CC2)CC1,VSHLYLFUIFEWBS-UHFFFAOYSA-N
-rxn:4:202328:228640,COC1CCN(C2CCN(S(=O)(=O)c3ccccc3-c3ccc(Cl)c(C)c3C)CC2)CC1,STONQVUOZSHSTG-UHFFFAOYSA-N
-rxn:4:202348:222942,Cc1ccc(S(=O)(=O)N2CCOC23CCN(C(=O)c2ccccc2-c2ccc(S(=O)(=O)NC4CC4)c(F)c2)CC3)cc1,LEANPULFRYKEKR-UHFFFAOYSA-N
-rxn:4:202348:225535,CCN(CC)Cc1cc(-c2ccccc2C(=O)N2CCC3(CC2)OCCN3S(=O)(=O)c2ccc(C)cc2)ccc1Cl,UULAERAWZZBTKR-UHFFFAOYSA-N
-rxn:4:202351:226557,CCOc1c(OC)ccc(-c2ccc(C(=O)N3CCC4(CC3)OCCN4S(=O)(=O)c3ccc(F)c(C)c3)cc2)c1F,POCHNOJBYWWKKP-UHFFFAOYSA-N
-rxn:4:202352:227261,CCCOc1ccc(F)c(-c2ccccc2C(=O)N2CCC3(CC2)OCCN3S(=O)(=O)c2ccc(F)c(C)c2)c1,JKVABHHJYADXMK-UHFFFAOYSA-N
-rxn:4:202471:223570,COc1c(-c2c(F)ncc3c2ccn3[Si](C(C)C)(C(C)C)C(C)C)ccc2c1cnn2C(=O)OC(C)(C)C,POQMBXNACRSYEU-UHFFFAOYSA-N
-rxn:4:202527:223279,COCC(=O)N=C1SC2CS(=O)(=O)CC2N1c1cccc(-c2cnc(C3CCCN3)nc2)c1,LOKLCQFNLLYGOQ-UHFFFAOYSA-N
-rxn:4:202534:223279,COCC(=O)N=C1SC2CS(=O)(=O)CC2N1c1ccc(-c2cnc(C3CCCN3)nc2)cc1F,ZRLWXHXRTKLBGJ-UHFFFAOYSA-N
-rxn:4:202559:222918,CC(C)(C)NS(=O)(=O)c1cccc(-c2cc(C#N)c3c(c2)C(C)(C)CN3C(=O)OC(C)(C)C)c1,DSGOTGVNJJTRLC-UHFFFAOYSA-N
-rxn:4:202601:226515,CCOC(=O)C1=C(C)N=C2SCCC(=O)N2C1c1cccc(-c2cc(C(=O)OC)cnc2CC)c1,UZJRPQZBZWZXCO-UHFFFAOYSA-N
-rxn:4:202602:223279,CCC1SC2=NC(C)=C(C(=O)OC)C(c3ccc(-c4cnc(C5CCCN5)nc4)cc3)N2C1=O,HOMCXZCRHWBOPZ-UHFFFAOYSA-N
-rxn:4:202606:223179,CCOC(=O)C1=C(C)N=C2SCCC(=O)N2C1c1ccccc1-c1ccc(F)c(C(=O)NOC)c1,UPTLPWRDFFRLCR-UHFFFAOYSA-N
-rxn:4:202662:226327,CC1=C(C(=O)OC(C)C)C(c2cccc(-c3ccc(C4(C#N)CC4)cc3Cl)c2)N2C(=O)C(C)SC2=N1,VHHUJVUXTCSWLE-UHFFFAOYSA-N
-rxn:4:202677:222680,COc1c(NC(=O)OC(C)(C)C)cccc1-c1ccnc2c1ccn2[Si](C(C)C)(C(C)C)C(C)C,XKAWAYISYAESQD-UHFFFAOYSA-N
-rxn:4:202680:224650,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(Cl)c(-c3cc(F)ccc3OCC3CCOCC3)cnc21,JTRBOIHADCMEEG-UHFFFAOYSA-N
-rxn:4:202683:223986,O=C(Cc1ccc(-c2cccc(Oc3ccc(F)cc3[N+](=O)[O-])c2)cc1)N1CC(N2CC3CCCC3C2)C1,FSDJBJCUOWNKTO-UHFFFAOYSA-N
-rxn:4:202689:223179,CONC(=O)c1cc(-c2ccc3c(c2)CN(C2CCC(=O)N(C(=O)OC(C)(C)C)C2=O)C3=O)ccc1F,WFOSCRXEQOVRGK-UHFFFAOYSA-N
-rxn:4:202692:227586,CCOc1ccc(Cl)c(-c2ccc(OC)cc2C(=O)N2CC(N3C(=O)C4CC=CCC4C3=O)C2)c1F,XDCJONYJUBJQQV-UHFFFAOYSA-N
-rxn:4:202697:223541,COc1ccc(N2C(=NC(=O)c3ccc(-c4cc(F)c(F)cc4S(=O)(=O)N4CCC5(CC4)OCCO5)cc3)SC3CS(=O)(=O)CC32)cc1,WZIOYWARLJPLIA-UHFFFAOYSA-N
-rxn:4:202723:224970,CC(C)(C)[Si](C)(C)Sc1ccc(-c2ccc(S(=O)(=O)c3c(C(=O)N4CCCCC4)cnc4ccc(Cl)cc34)cc2)cc1,FBIQQHOIHLGGCP-UHFFFAOYSA-N
-rxn:4:202726:223592,CC(C)(C)OC(=O)N1CCC(N2CCc3cc(-c4ccc(N5CCN(C(=O)OC(C)(C)C)CC5)cc4Cl)ccc32)CC1,RXKIQYVNNMLTGD-UHFFFAOYSA-N
-rxn:4:202730:223919,COc1ccccc1N1CCN(C(=O)c2oc3ccc(-c4ccc(C(=O)N(C)C5CCCCC5)c(Cl)c4)cc3c2C)CC1,JVCHDVJLQTWHRN-UHFFFAOYSA-N
-rxn:4:202731:223179,CONC(=O)c1cc(-c2cccnc2OC2CCN(C(=O)C3Oc4ccccc4OC3C)CC2)ccc1F,RKLHPHNZWQAQLK-UHFFFAOYSA-N
-rxn:4:202734:224291,O=S(=O)(c1ccc(-c2ccc(OCCN3CCOCC3)c(F)c2)cc1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1,BDPOZZFTPQROTG-UHFFFAOYSA-N
-rxn:4:202796:226844,CC(=O)OCc1c(-c2ccnc(C(=O)C(F)(F)F)c2)cccc1N1CCn2c(cc3c2CC(C)(C)C3)C1=O,YNWIFHLHLNULAE-UHFFFAOYSA-N
-rxn:4:202805:222730,CCCc1cc(-c2cccc(C3c4c(oc5ccccc5c4=O)C(=O)N3CCN3CCOCC3)c2)cc(C2CCNCC2)n1,CCCOWBFSEPOCMH-UHFFFAOYSA-N
-rxn:4:202811:223179,CONC(=O)c1cc(-c2cccnc2OC2CCN(C(=O)C34CC5CC(CC(C5)C3)C4)CC2)ccc1F,WLSSZGDKBGRTIY-UHFFFAOYSA-N
-rxn:4:203015:223506,CCCc1ccnc(-c2cccc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)c1C#N,TVSFGXNVKZLICB-UHFFFAOYSA-N
-rxn:4:203134:223559,COC(=O)Cc1nn(C)c(C)c1-c1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)OC(C)(C)C,DDBVJXIODUHRJN-UHFFFAOYSA-N
-rxn:4:203244:224757,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cc(Cl)cc(C(=O)N3CCOCC3)c2)nc1F,XJAHMIVORCKOCU-UHFFFAOYSA-N
-rxn:4:203460:223590,Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1-c1cnc(OC2CCCC2)c([N+](=O)[O-])c1,SWHNDAGVVPVDRG-UHFFFAOYSA-N
-rxn:4:203587:223670,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2cncc(CC(=O)N3CCOCC3)c2)CC1,NMXIPVTWELHVNE-UHFFFAOYSA-N
-rxn:4:203589:223579,CC1CN(C(=O)OC(C)(C)C)CCN1c1ccc(-c2ccc(F)c(C(C#N)N3CCOCC3)c2)cc1,OAQMWWFHYGEVIB-UHFFFAOYSA-N
-rxn:4:203638:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1ccc(S(=O)(=O)NN2CCOCC2)cc1,HFTNLZDTABZJAH-UHFFFAOYSA-N
-rxn:4:203708:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2ccccc2C(=O)N2CC(N3C(=O)COC3=O)C2)cc1,VIERONUIAMBGEP-UHFFFAOYSA-N
-rxn:4:203724:222633,O=C(NCCN1CCCC1)c1ccc(-c2ccc(S(=O)(=O)NN3CCCCC3)cc2)cc1,WUUHPFLGUXYMFR-UHFFFAOYSA-N
-rxn:4:203764:223071,CCS(=O)(=O)NCc1ccc(-c2cnc(N3CCCC(C(F)(F)F)C3)cc2C(F)(F)F)cc1,NOMRALUBNHNNJI-UHFFFAOYSA-N
-rxn:4:203790:224986,N#Cc1cc(N2CCCCC2)ccc1-c1ccc(Cl)c(C(=O)N2CC(N3C(=O)CCC3=O)C2)c1,ZAAMGBHZTJXYQQ-UHFFFAOYSA-N
-rxn:4:203802:222621,CC(C)Cc1cc(-c2ccc(C(=O)CN3CCN(C)CC3)cc2)cc(C2CCCNC2)n1,OZJBKOXSGMTJBZ-UHFFFAOYSA-N
-rxn:4:203825:224188,CC(C)N(C(=O)c1ccc(-c2ccc(C(=O)N3CCN(S(C)(=O)=O)CC3)cc2)c(Cl)c1)C(C)C,ZSWCEVLBVVNSLI-UHFFFAOYSA-N
-rxn:4:203834:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cccc(C(=O)N2CCC(N3C(=O)CSC3=O)C2)c1,REHJDZNMQJSVEN-UHFFFAOYSA-N
-rxn:4:203881:222442,CS(=O)(=O)N1CCC(Cc2cccc(-c3ccc(S(=O)(=O)NC4CCCC4)c4ccccc34)n2)CC1,DKNHKGKCQJQNFU-UHFFFAOYSA-N
-rxn:4:203881:224608,COC(=O)c1cc(OCC2CC2)cc(-c2cccc(CC3CCN(S(C)(=O)=O)CC3)n2)c1,LZIDXDKZWNPNEW-UHFFFAOYSA-N
-rxn:4:203887:222630,CCS(=O)(=O)N1CCN(c2ccc(-c3cc(C4CCC4)nc(C4CCNCC4)c3)cc2)CC1,IMHRUGZYFRHYMF-UHFFFAOYSA-N
-rxn:4:203940:222817,COc1ccc(S(=O)(=O)NC2CC2)cc1-c1ccccc1N1CCN(S(=O)(=O)C2CC2)CC1,TYHFEODGLKIOOM-UHFFFAOYSA-N
-rxn:4:203943:223537,CC(C)(C)OC(=O)n1c(-c2ccc(-c3csc(C(C#N)=C4CCCCC4)n3)cc2)cc2cc(OC(F)(F)F)ccc21,MGRMHIOHZURDRS-UHFFFAOYSA-N
-rxn:4:203952:223872,CCN(C(=O)c1cccc(-c2cncc(CC3CCCN(C(C)=O)CC3)c2)c1)C1CCCCC1,PGVSXLPYGDAPBV-UHFFFAOYSA-N
-rxn:4:203962:222573,CCN1CCN(C(=O)c2ccc(C)cc2-c2cc(F)cc(C(=O)NCC3CCCCC3)c2)CC1,JMOIIHHKABFGJS-UHFFFAOYSA-N
-rxn:4:204023:224368,CC(C)N1CCN(Cc2c(F)cc(-c3cnc(Cl)c(N(C)C(=O)OC(C)(C)C)c3)cc2F)CC1,UBAYXRUCBZAPRX-UHFFFAOYSA-N
-rxn:4:204025:222694,CN1CCN(Cc2ccc(-c3cccc(S(=O)(=O)NC4CCCCC4)c3)cc2S(C)(=O)=O)CC1,FCPUNMOMYDSVLI-UHFFFAOYSA-N
-rxn:4:204027:224485,CC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2ccccc2CN2CCN(S(C)(=O)=O)C[C@@H]2C)c1,PWPWLXLTZVYWIJ-QHCPKHFHSA-N
-rxn:4:204032:224744,CN1CCN(C(=O)C2(c3ccc(-c4cc(Cl)c(C(=O)OC(C)(C)C)cc4F)cc3)CC2)CC1,XGOVIBDFYZIETH-UHFFFAOYSA-N
-rxn:4:204046:225234,O=C1CSC(=O)N1C1CCN(S(=O)(=O)c2ccccc2-c2ccc(N3CCCCC3)c(F)c2F)CC1,DKJLNBIRGAFJCO-UHFFFAOYSA-N
-rxn:4:204050:222396,CC1(C)N=C(c2ccc(-c3ccc(C(=O)NC4CCC(O)CC4)cc3)cc2)C(=S)N1C(=O)c1ccc(Cl)cc1,UJGABRNLHCJXBK-UHFFFAOYSA-N
-rxn:4:204078:224265,Cc1ccc(C2CC(c3ccc(-c4cc(C5CCCCC5)cc(C(F)(F)F)c4)cc3)=NN2S(C)(=O)=O)cc1,VESXQGSDBKMBQF-UHFFFAOYSA-N
-rxn:4:204094:222430,Cc1cc(CN2CCN(C(C)C)CC2)cc(-c2ccc(S(=O)(=O)Nc3ccc(OC(F)(F)F)cc3)cc2)c1,WCVIGZKNVLZCOU-UHFFFAOYSA-N
-rxn:4:204097:224720,CC(C)N1CCN(C(C)c2ccccc2-c2cn(C(=O)OC(C)(C)C)nc2C2CC2)CC1,YMGUVOKSXBSFPX-UHFFFAOYSA-N
-rxn:4:204103:223103,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc(C(=O)N3CCC(N4CCCC4)CC3)cc2)s1,PSWFJAPYEIGMKR-UHFFFAOYSA-N
-rxn:4:204112:224252,CC1CCCN(C(=O)c2ccc(-c3ccc(CN4CCCC4)c(N4CCCCC4)c3)cc2F)C1,YREKOANATZAFFZ-UHFFFAOYSA-N
-rxn:4:204114:223180,CONC(=O)c1ccc(-c2ccc(C(=O)N3CCCN(C4CCSCC4)CC3)o2)cc1F,SVJARQWSNPGXTQ-UHFFFAOYSA-N
-rxn:4:204114:223285,CS(=O)(=O)Nc1ccccc1-c1ccc(C(=O)N2CCCN(C3CCSCC3)CC2)o1,NRDLHWMJSDTHDV-UHFFFAOYSA-N
-rxn:4:204116:226530,CCOC(=O)c1cccc(-c2cccc(C(=O)N3CCCN(C4CCOC4)CC3)c2)c1F,UVQIQLTXTWGRLN-UHFFFAOYSA-N
-rxn:4:204117:223668,O=C(c1cccc(-c2ccc(OCc3ccccc3)cc2OC(F)(F)F)c1)N1CCCN(C2CCSC2)CC1,GEJPXOYXLQEKNL-UHFFFAOYSA-N
-rxn:4:204132:222457,O=C(Nc1cccc(-c2ccc(CN3CCCCC3)c(N3CCOCC3)c2)c1)c1cccc(C(F)(F)F)c1,VEIGAGXSAURHIT-UHFFFAOYSA-N
-rxn:4:204134:223279,O=S(=O)(c1ccccc1-c1cnc(C2CCCN2)nc1)N1CCCN(C2CCOC2)CC1,XBYBUGXQEMODAK-UHFFFAOYSA-N
-rxn:4:204141:223179,CONC(=O)c1cc(-c2cccc(C3CCN(C(=O)C4CCCCC4)CC3)n2)ccc1F,WIYVEIVXHLMCCB-UHFFFAOYSA-N
-rxn:4:204158:224691,Cc1ccc(N2CCN(S(=O)(=O)c3cc(C)c(-c4ccc(C(=O)N5CC6(COC6)C5)cc4)cc3Cl)CC2)cc1,GAYDVUGHOBDKSX-UHFFFAOYSA-N
-rxn:4:204159:224681,Cc1cc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c(C)cc1-c1ccc(C(=O)N2CCCCC2)c(F)c1,YPKXKHCSNCOVKV-UHFFFAOYSA-N
-rxn:4:204168:223179,CONC(=O)c1cc(-c2ccc(CN3CCC(C)CC3)c(N3CCOCC3)c2)ccc1F,PWFYPKBCLNMDFQ-UHFFFAOYSA-N
-rxn:4:204173:224327,Cc1cc(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)ccc1-c1cccc(S(=O)(=O)N2CCCC(C)C2)c1,XGTUNBFNQHWYFT-UHFFFAOYSA-N
-rxn:4:204179:223835,Cc1ccc(N2CCN(S(=O)(=O)c3cc(C)c(-c4cc(S(=O)(=O)N5CCC(C)CC5)c(C)cc4F)cc3C)CC2)cc1C,DMHGHHBSBLCFAO-UHFFFAOYSA-N
-rxn:4:204459:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3cc4ccn(C(=O)OC(C)(C)C)c4cn3)cc21,SAZMMWZXRIHILY-UHFFFAOYSA-N
-rxn:4:204507:224174,CCN(C(=O)OC(C)(C)C)c1ccc(-c2nc3c(s2)CN(C(=O)OC(C)(C)C)CC3)cc1,WRYYCICVNARQSS-UHFFFAOYSA-N
-rxn:4:204528:223179,CONC(=O)c1cc(-c2ccccc2N2C(=O)C3CSC(C(=O)OC)N3C2=S)ccc1F,QHQHUZRFTRNSHH-UHFFFAOYSA-N
-rxn:4:204544:224485,CC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2ccc3c(n2)N(C(=O)OC(C)(C)C)CCO3)c1,GLBDBNQDJGILRJ-UHFFFAOYSA-N
-rxn:4:204558:223945,Cc1nn(C(=O)OC(C)(C)C)c2cc(Cl)cc(-c3ccc(OCCCN4CCOCC4)c(F)c3)c12,ILTBUMKWPOPZAK-UHFFFAOYSA-N
-rxn:4:204576:223559,CCn1c(=NC(=O)C(C)C)sc2cc(-c3ccc4c(c3)C(C)=CC(C)(C)N4C(=O)OC(C)(C)C)ccc21,DZRKPACGDQWTLL-UHFFFAOYSA-N
-rxn:4:204594:223761,Cc1ccc(S(=O)(=O)n2cc(C(F)(F)F)c3cc(-c4ccc(C5CCCN5C(=O)OC(C)(C)C)cc4)cnc32)cc1,ZPUSEKFCUJCVSH-UHFFFAOYSA-N
-rxn:4:204596:222637,CC(NC(=O)OC(C)(C)C)c1ccc(-c2ccc3c(n2)N(C(=O)OC(C)(C)C)CCC3)cc1,MUHROJHLWUCRKH-UHFFFAOYSA-N
-rxn:4:204605:223898,CC1CN(C(=O)OC(C)(C)C)c2ncc(-c3ccc(N(C(=O)OC(C)(C)C)C(C)C)cc3)cc21,ZOAISKQJKNFHEX-UHFFFAOYSA-N
-rxn:4:204653:227789,COCCN1C(=O)C(=C2C(=O)N(C)c3ccc(-c4cc(Cl)nc(C(F)(F)F)c4)cc32)SC1=S,TYOLJJJUZQXDLT-UHFFFAOYSA-N
-rxn:4:204682:224589,Cc1cc2c(c(-c3ccc(F)cc3CN3CCC(C)CC3)n1)CN(C(=O)OC(C)(C)C)CC2,LFHJDKCEITVLCV-UHFFFAOYSA-N
-rxn:4:204689:225226,CCCN1C(=O)C(=C2SC(=S)N(CC)C2=O)c2cc(-c3cc(N4CCC(C)CC4)ncc3F)ccc21,AAFNFSJKXOWNBP-UHFFFAOYSA-N
-rxn:4:204694:223279,O=C(N=C1SC2CS(=O)(=O)CC2N1c1ccc(-c2cnc(C3CCCN3)nc2)cc1)C1CC1,AXESTZVOIPABSM-UHFFFAOYSA-N
-rxn:4:204705:223179,CONC(=O)c1cc(-c2ccc(N3C(=NC(=O)C4CC4)SC4CS(=O)(=O)CC43)c(Cl)c2)ccc1F,CBNSQRHBRONQFB-UHFFFAOYSA-N
-rxn:4:204705:223279,O=C(N=C1SC2CS(=O)(=O)CC2N1c1ccc(-c2cnc(C3CCCN3)nc2)cc1Cl)C1CC1,AEFFCOZDEUGRBD-UHFFFAOYSA-N
-rxn:4:204706:223279,O=C(N=C1SC2CS(=O)(=O)CC2N1c1ccc(-c2cnc(C3CCCN3)nc2)cc1F)C1CC1,TZXHTVPZCCVBQM-UHFFFAOYSA-N
-rxn:4:204722:223279,CC(C)C(=O)N=C1SC2CS(=O)(=O)CC2N1c1cccc(-c2cnc(C3CCCN3)nc2)c1,FYCHOFMCINFRBX-UHFFFAOYSA-N
-rxn:4:204776:223279,O=C1N(c2ccc(-c3cnc(C4CCCN4)nc3)cc2)C2CS(=O)(=O)CC2N1c1cccc(C(F)(F)F)c1,MLZKXBNGPNPEBN-UHFFFAOYSA-N
-rxn:4:204785:223279,CCN1C(=O)C(=C2SC(=S)N(CC3CCCO3)C2=O)c2cc(-c3cnc(C4CCCN4)nc3)ccc21,PGRNUDKRGSCEIE-UHFFFAOYSA-N
-rxn:4:204794:222711,COc1ccc(-c2ccc3oc(=O)c(C(=O)N4CCN(c5ccc(Cl)cc5)CC4)cc3c2)cc1S(=O)(=O)NC(C)(C)C,OGIPUTKRVMSSAI-UHFFFAOYSA-N
-rxn:4:204799:226889,O=C(C1=CN(c2ccc(-c3cc(Cl)cc(C(F)(F)F)c3F)cc2)c2cc(F)ccc2S1(=O)=O)N1CCCC1,FWWIMPHZWVATDZ-UHFFFAOYSA-N
-rxn:4:204829:223179,CONC(=O)c1cc(-c2ccc(N3C=C(C(=O)N4CCCC4)S(=O)(=O)c4ccccc43)cc2C)ccc1F,GTKKYTHZDRKILC-UHFFFAOYSA-N
-rxn:4:204829:226844,Cc1cc(N2C=C(C(=O)N3CCCC3)S(=O)(=O)c3ccccc32)ccc1-c1ccnc(C(=O)C(F)(F)F)c1,GEVBWWJLAUYYIF-UHFFFAOYSA-N
-rxn:4:204833:223179,CONC(=O)c1cc(-c2ccc(N3C=C(C(=O)N4CCCC4)S(=O)(=O)c4ccc(Cl)cc43)cc2C)ccc1F,CQUPIRSTZUILNY-UHFFFAOYSA-N
-rxn:4:204846:223179,CONC(=O)c1cc(-c2ccc(CN3C(=O)N(c4cc(C)ccc4C)C4CS(=O)(=O)CC43)c(F)c2)ccc1F,OWQBEACELAXUHP-UHFFFAOYSA-N
-rxn:4:204874:223812,O=C1C2C(c3ccc(-c4cc(F)cc(CN5CCC6(CC5)OCCO6)c4)cc3)OC3(C(=O)c4ccccc4C3=O)C2C(=O)N1c1cccc([N+](=O)[O-])c1,YFNUTNJQMAPVKY-UHFFFAOYSA-N
-rxn:4:204876:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc4oc(=O)c(C(=O)N5CCN(c6c(C)cc(C)cc6C)CC5)cc4c3)cc2)CC1,LFDSMBAVKQXBDA-UHFFFAOYSA-N
-rxn:4:205911:223480,COc1cccc(-c2nc(-c3cc(C)c(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c(C)c3)c[nH]2)c1,XAELROSFBZIOHL-UHFFFAOYSA-N
-rxn:4:206358:223789,COC(=O)c1cc(O[Si](C)(C)C(C)(C)C)cc(-c2cn(C3CCCCO3)nc2C(F)F)c1,WBHNOHXGBWRTCN-UHFFFAOYSA-N
-rxn:4:206358:223846,Cc1cc(-c2cn(C3CCCCO3)nc2C(F)F)cc(C2CC3CCC2(C)C3(C)C)c1,FAFXMDHTRJCPBL-UHFFFAOYSA-N
-rxn:4:206432:222607,CS(=O)(=O)N1CCC(Nc2ccc(-c3cncc(S(=O)(=O)N4CCCC4)c3Cl)cc2)CC1,WFXKUBFGOZEQRS-UHFFFAOYSA-N
-rxn:4:206453:224300,COc1cc(C(=O)N2CCSCC2)ccc1-c1cc(N2CCC(F)(F)C2)ccc1[N+](=O)[O-],ORIZRRNGLMOJAF-UHFFFAOYSA-N
-rxn:4:206750:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cc(N4CCC(F)(F)C4)c([N+](=O)[O-])cc3C)c(F)c2)CC1,WQJYRKNPXDODQR-MEMLXQNLSA-N
-rxn:4:206970:223755,CC1CCN(CCCOc2ccc(-c3cc(N4CCC(C)CC4)c([N+](=O)[O-])cc3F)cc2F)CC1,HRCOSHRQMCHFSJ-UHFFFAOYSA-N
-rxn:4:206998:223983,CCN1CCN(S(=O)(=O)c2ccccc2-c2nc(C3CCCCC3)cc(C3CC3)n2)CC1,PYUAOSJWAOJNSX-UHFFFAOYSA-N
-rxn:4:207016:223590,Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1-c1cncc(C(=O)N2C(C)CCCC2C)c1,ODAYABWPXBZCLZ-UHFFFAOYSA-N
-rxn:4:207028:223835,Cc1cc(F)c(-c2cccc(C3CCCN(C(C)C)C3)n2)cc1S(=O)(=O)N1CCC(C)CC1,RCYNZXXYIZLQCV-UHFFFAOYSA-N
-rxn:4:207074:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3cc(C4CC4)ccc3N3CCN(C)CC3)c2)CC1,SWOBPDZZTFAQJL-UHFFFAOYSA-N
-rxn:4:207090:223179,CONC(=O)c1cc(-c2ccc(N3C(=O)CC(N4CCC(C)CC4)C3=O)cc2)ccc1F,RDNRNPDBWAWVNV-UHFFFAOYSA-N
-rxn:4:207284:223493,CCOc1c(-c2cc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)ccc2C)ccc2[nH]ncc12,GJLIGCFGSFMSOK-UHFFFAOYSA-N
-rxn:4:207759:223279,CC(=O)N=C1SC2CS(=O)(=O)CC2N1c1ccc(-c2cnc(C3CCCN3)nc2)cc1Cl,RHDVKWJRZSXVTF-UHFFFAOYSA-N
-rxn:4:207760:223279,CC(=O)N=C1SC2CS(=O)(=O)CC2N1c1ccc(-c2cnc(C3CCCN3)nc2)cc1F,LJGKDGOCGSYLPP-UHFFFAOYSA-N
-rxn:4:207760:223880,CC(=O)N=C1SC2CS(=O)(=O)CC2N1c1ccc(-c2cc3cc(C)ccc3n2C(=O)OC(C)(C)C)cc1F,QIZQAVVJBQIATM-UHFFFAOYSA-N
-rxn:4:207834:223279,CC(=O)N=C1SC2CS(=O)(=O)CC2N1c1c(C)cc(-c2cnc(C3CCCN3)nc2)cc1C,FHVPMGINALHLHW-UHFFFAOYSA-N
-rxn:4:207848:223557,Cc1cccc(N2C(=O)N(c3cccc(-c4c(F)ccc5c4ccn5[Si](C(C)C)(C(C)C)C(C)C)c3)C3CS(=O)(=O)CC32)c1,ZHOIVKYZFIAVFQ-UHFFFAOYSA-N
-rxn:4:207856:225652,CC1CCCN(c2cncc(-c3ccc4c(c3)CCCC4N3CCN(C(C)C)CC3)c2)C1,IZCRZQXEHYKSFH-UHFFFAOYSA-N
-rxn:4:207857:225102,CCN(CC)C(=O)c1cc(-c2ccc(C(=O)N3C4CCC3CC3(C4)CN(C)C(=O)C(C)O3)o2)ccc1F,OHKODYODGWBZHW-UHFFFAOYSA-N
-rxn:4:207946:223179,CONC(=O)c1cc(-c2cc(OC)c3c(c2)C2CC(c4ccc(Cl)cc4)=NN2C2(CCCC2)O3)ccc1F,ZWKLJUXKXYBMAN-UHFFFAOYSA-N
-rxn:4:207958:223179,CCC1CCC2(CC1)Oc1ccc(-c3ccc(F)c(C(=O)NOC)c3)cc1C1CC(c3ccccc3)=NN12,WEOLUOLZAYAAQT-UHFFFAOYSA-N
-rxn:4:207959:226452,Cc1ccc(C2=NN3C(C2)c2cc(-c4ccc(C5OCCCO5)cc4)ccc2OC3C2CCCCC2)cc1,ZSOBVLPQUHUAJY-UHFFFAOYSA-N
-rxn:4:209770:223670,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2ccnc(N3CCC(F)(F)CC3)c2)CC1,MEGCAKXMWPHGON-UHFFFAOYSA-N
-rxn:4:209896:222606,CC(C)(C)NC(=O)c1c(-c2cnn(C3CCOC4(CCOCC4)C3)c2)cccc1C(F)(F)F,XEBHCJVHLFAXCH-UHFFFAOYSA-N
-rxn:4:210460:223506,Cc1ccc(-c2cccc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)c2ncc(C#N)c(Cl)c12,KCPYSLLCFGFIHQ-UHFFFAOYSA-N
-rxn:4:210681:223841,Cc1cc(F)c(-c2ccc(C3=CSC4=NCCN34)cc2)cc1S(=O)(=O)N1CCN(C)CC1,CDPWIGAJOXGADT-UHFFFAOYSA-N
-rxn:4:211029:223712,COc1ccc(-c2ccc(F)c3c2c(C)nn3C2CCCCO2)cc1C12CC3CC(CC(C3)C1)C2,GQFAOJCOKFGQRC-UHFFFAOYSA-N
-rxn:4:211060:222729,CCCc1cc(-c2ccc3c(c2)CCCC3N2CCN(C)CC2)cc(C2CCCNC2)n1,BNDRHXVYQUZPTR-UHFFFAOYSA-N
-rxn:4:211101:225641,Cc1ccc(C2=NN3C(C2)c2cc(-c4ccnc(N5CCCC(C)C5)c4)ccc2OC32CCC(C)CC2)cc1,DZMIFVHXPHCXBB-UHFFFAOYSA-N
-rxn:4:212380:223575,CN1C(=O)CC(=O)c2nc(-c3ccccc3CN3CCN(C(=O)OC(C)(C)C)CC3)ccc21,PYNJLYHMFGKBPA-UHFFFAOYSA-N
-rxn:4:212521:225326,CCOC(=O)c1ccc(-c2cnc(OC3CCN(S(=O)(=O)CCC(F)(F)F)C3)nc2)c([N+](=O)[O-])c1,STRPJYQSTLAPAP-UHFFFAOYSA-N
-rxn:4:212524:222645,O=C(c1ccc(-c2cccc(OCCN3CCC(O)CC3)c2)o1)N1CCN=C1SCc1cccc([N+](=O)[O-])c1,DNSYSACGQUTAOY-UHFFFAOYSA-N
-rxn:4:212537:223883,Cc1nc(-c2ccc3c(c2)CCCN3C(=O)OC(C)(C)C)cn1CCN(C)C(=O)OC(C)(C)C,UFWVSCRYDRPOMX-UHFFFAOYSA-N
-rxn:4:212542:225640,CCOCC(=O)N1CCCC(Oc2ncc(-c3ccnc(N4CCCCC4C)c3)cn2)C1,SNJGNFBLTBSTJV-UHFFFAOYSA-N
-rxn:4:212564:222802,Cc1ccc(-c2cccc(C(=O)N3CCN=C3SCc3cccc([N+](=O)[O-])c3)c2)c(S(=O)(=O)NC(C)(C)C)c1,LTQJWAIKUXVPRO-UHFFFAOYSA-N
-rxn:4:212592:223095,CC(=O)Nc1cccc(-c2cccc(CCCC3(C(=O)N(C)C)CCN3C)n2)c1[N+](=O)[O-],YMWFSUHNWKSHIM-UHFFFAOYSA-N
-rxn:4:212602:222697,O=C(COc1ccccc1)N1CCC(Oc2ncc(-c3ccc(Cl)c(C(=O)N4CCC(O)CC4)c3)cn2)CC1,JOGQOZBMDFXKPE-UHFFFAOYSA-N
-rxn:4:212604:224956,Cc1ccc(C(=O)N2CCN=C2SCc2ccc(-c3cccc(O[Si](C)(C)C(C)(C)C)c3)cc2)cc1[N+](=O)[O-],GYTPYNHJEBVMIT-UHFFFAOYSA-N
-rxn:4:212626:225218,CC1CCCN(c2ncc(-c3ccc(S(=O)(=O)N4CCC(COc5cc(C#N)ccn5)CC4)cc3)cc2Cl)C1,YBPMSRQJVSMBDY-UHFFFAOYSA-N
-rxn:4:212631:223179,CONC(=O)c1cc(-c2cncc(C(=O)N3CCC(COc4ncccc4C(F)(F)F)CC3)c2)ccc1F,OROJACOTGLLBQO-UHFFFAOYSA-N
-rxn:4:212639:227333,CC(C)Oc1ccc(Cl)c(-c2cncc(CC(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)c1,YODHVZAMQOATKZ-UHFFFAOYSA-N
-rxn:4:212649:226255,CCCCOc1ccc(Cl)cc1-c1cnc(OCC2CCCN(C(=O)C(C)(C)CC)C2)nc1,LWVQKBDBUSGNMK-UHFFFAOYSA-N
-rxn:4:212649:227218,CCC(C)(C)C(=O)N1CCCC(COc2ncc(-c3ccccc3OCCCF)cn2)C1,WDQRYJBUIYIBJW-UHFFFAOYSA-N
-rxn:4:212650:227252,CCCOc1cc(-c2cnc(OCC3CCCN(C(=O)CC(C)(C)C)C3)nc2)ccc1Cl,XUHXFOTZJBCOQV-UHFFFAOYSA-N
-rxn:4:212651:223279,CC(C)(C)OC(=O)N1CCN(Cc2cc([N+](=O)[O-])ccc2-c2cnc(C3CCCN3)nc2)CC1,BCDPDVXKRNXBTR-UHFFFAOYSA-N
-rxn:4:212653:224459,COC(=O)c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)c(-c2ccc(N3CCCC3)c(C(C)(C)C)c2)n1,CMDBRBRIGCFPPL-UHFFFAOYSA-N
-rxn:4:212655:223179,CONC(=O)c1cc(-c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)c(C(=O)OC)c2)ccc1F,CNXVYFOWIFCJNP-UHFFFAOYSA-N
-rxn:4:212655:226844,COC(=O)c1cc(-c2ccnc(C(=O)C(F)(F)F)c2)cnc1N1CCN(C(=O)OC(C)(C)C)CC1,NKMNNVQRPXAROR-UHFFFAOYSA-N
-rxn:4:212658:223179,CONC(=O)c1cc(-c2cnc(C(=O)OC)c(N3CCN(C(=O)OC(C)(C)C)CC3)c2)ccc1F,ZAUGJOFMXDLZSI-UHFFFAOYSA-N
-rxn:4:212663:223179,CONC(=O)c1cc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2C(=O)OC)ccc1F,LCIDZXQRFZTBNM-UHFFFAOYSA-N
-rxn:4:212665:222432,COc1ccccc1S(=O)(=O)N1CCCC(COc2ncc(-c3ccc(S(=O)(=O)NC4CCCCC4)c4ccccc34)cn2)C1,UYEXHENOSVLKHA-UHFFFAOYSA-N
-rxn:4:212684:223581,COC(=O)c1cccc2cc(-c3ccc(-c4cnc(SCC(=O)N5CCCC5)n4-c4ccc(F)cc4)cc3)n(C(=O)OC(C)(C)C)c12,ZWAYQLBNXOILRX-UHFFFAOYSA-N
-rxn:4:212711:222546,CC(C)(C)c1ccc(OCC2CCN(C(=O)c3ccc(-c4ccc(OCCNC5CCCCC5)c(F)c4)o3)CC2)nn1,QTAJYEMKDMACPC-UHFFFAOYSA-N
-rxn:4:212711:226844,CC(C)(C)c1ccc(OCC2CCN(C(=O)c3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)o3)CC2)nn1,XMEGISGNYAIGAN-UHFFFAOYSA-N
-rxn:4:212721:223179,CONC(=O)c1cc(-c2cc(C(=O)OC(C)(C)C)cc(N3CCN(C(=O)C(C)C)CC3)n2)ccc1F,HLPFSNHFRMBFOE-UHFFFAOYSA-N
-rxn:4:212732:224087,O=C(c1ccc(S(=O)(=O)c2ccc(-c3cccc(OCCN4CCCCCC4)c3)cc2)nc1)N1CCN(Cc2ccccc2)CC1,KYOJRCVUJPHINL-UHFFFAOYSA-N
-rxn:4:212737:226844,CC(C)(C)OC(=O)N1CCN(c2cc(CN3CCOCC3)cc(-c3ccnc(C(=O)C(F)(F)F)c3)c2)CC1,ANPFBTYZLMJZAP-UHFFFAOYSA-N
-rxn:4:212739:224045,CN(Cc1ccccc1)Cc1ccccc1-c1ccc(CN2CCN(C(=O)OC(C)(C)C)CC2)c(N2CCCCC2)c1,AQFGQEIBMHOMLK-UHFFFAOYSA-N
-rxn:4:212747:223804,CC1CN(C(=O)OC(C)(C)C)CCN1Cc1ccc(-c2ccccc2OCc2cccc(C(F)(F)F)c2)cc1N1CCOCC1,RXEWUFTXSQHMHB-UHFFFAOYSA-N
-rxn:4:212768:223279,CCOC(=O)c1nc(-c2cnc(C3CCCN3)nc2)n2c1CN(C(=O)OC(C)(C)C)CC2,LHQMGIFIFAZSJL-UHFFFAOYSA-N
-rxn:4:212771:224825,CON(C)C(=O)c1cc(-c2ccc3nc(N(CCN(C)C)C(=O)C4=COCCO4)sc3c2)cc([N+](=O)[O-])c1,YZJOKAKETCXLMW-UHFFFAOYSA-N
-rxn:4:212771:225976,CN(C)CCN(C(=O)C1=COCCO1)c1nc2ccc(-c3ccnc(N4CCOCC4)c3F)cc2s1,UKBVANWANUTYRW-UHFFFAOYSA-N
-rxn:4:212775:223279,COCCn1c(=NC(=O)CN2C(=O)CCC2=O)sc2cc(-c3cnc(C4CCCN4)nc3)ccc21,OFAZDMZACPEKIZ-UHFFFAOYSA-N
-rxn:4:212783:223110,CCOC(=O)N1CCN(C(=O)Cn2ccc3ccc(-c4ccc(CNC(C)(C)C)cc4)cc32)CC1,XKDSDQOBDTUFNS-UHFFFAOYSA-N
-rxn:4:212784:222509,CCOC(=O)N1CCN(C(=O)Cn2ccc3cc(-c4cc(F)cc(C(=O)Nc5cc(Cl)ccc5C)c4)ccc32)CC1,KIJFHATWMGWENB-UHFFFAOYSA-N
-rxn:4:212814:223179,CONC(=O)c1cc(-c2c3c(nn2C(=O)OC(C)(C)C)C(C)(C)N(C(=O)OC(C)(C)C)C3)ccc1F,VEXACIKAXRCNEG-UHFFFAOYSA-N
-rxn:4:212849:226017,COc1cc(-c2ccccc2C(=O)N(Cc2ccccc2)c2nnc(C34CC5CC(CC(C5)C3)C4)s2)ccc1OC(F)(F)F,JVXNRBOOYMWJIP-UHFFFAOYSA-N
-rxn:4:212938:225226,CCC(=O)N1CCCC(COc2ncc(-c3cc(N4CCC(C)CC4)ncc3F)cn2)C1,CHHPDFATLVCAFF-UHFFFAOYSA-N
-rxn:4:212944:226017,CCOC(=O)N1CCN(c2ncc(C(F)(F)F)cc2-c2ccc(OC(F)(F)F)c(OC)c2)CC1,MMMXJZGOVMUSOM-UHFFFAOYSA-N
-rxn:4:213002:223179,CONC(=O)c1cc(-c2cnccc2OC2CCN(C(=O)CN3C(=O)CCC3=O)C2)ccc1F,YZILSUJAARGURB-UHFFFAOYSA-N
-rxn:4:213002:223279,O=C(CN1C(=O)CCC1=O)N1CCC(Oc2ccncc2-c2cnc(C3CCCN3)nc2)C1,KWXOIOTWQIAIBR-UHFFFAOYSA-N
-rxn:4:213038:222876,CC(C)(C)NC(=O)c1ccc(-c2c[nH]c(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1F,IEVYLMGCMXLZHJ-UHFFFAOYSA-N
-rxn:4:213038:227719,CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(-c3ccc(Cl)c(OC(F)F)c3)c[nH]2)CC1,WUJNQTXFVLBJBA-UHFFFAOYSA-N
-rxn:4:213041:223179,CONC(=O)c1cc(-c2cnc(OC3CCN(C(=O)OC(C)(C)C)CC3)cn2)ccc1F,GGNVWHJRYRFXLP-UHFFFAOYSA-N
-rxn:4:213045:222546,O=C(C1CCC1)N1CCCC(COc2ncc(-c3ccc(OCCNC4CCCCC4)c(F)c3)cn2)C1,UHSPMHAWDOTDFH-UHFFFAOYSA-N
-rxn:4:213053:223279,O=C(C1CC(F)(F)C1)N1CCCC(COc2ncc(-c3cnc(C4CCCN4)nc3)cn2)C1,XEJDRPBVIOTSMF-UHFFFAOYSA-N
-rxn:4:213053:226236,CCCCOc1ncc(C)cc1-c1cnc(OCC2CCCN(C(=O)C3CC(F)(F)C3)C2)nc1,WHPMTILSPTWWLY-UHFFFAOYSA-N
-rxn:4:213073:224064,CC1CCCCN1c1cc(-c2ccnn2CC2CCN(C(=O)OC(C)(C)C)CC2)cc(C2CC2)c1,CBFZKGZACZVAHP-UHFFFAOYSA-N
-rxn:4:213077:223179,CONC(=O)c1cc(-c2cn(C3CCN(C(=O)OC(C)(C)C)CC3)nc2C(F)F)ccc1F,GXWRHECLZGFXCD-UHFFFAOYSA-N
-rxn:4:213077:223279,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cnc(C4CCCN4)nc3)c(C(F)F)n2)CC1,OUQBPWMDUWIOFF-UHFFFAOYSA-N
-rxn:4:213080:227481,COC(OC)c1cnccc1-c1cncc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1,JKRKSHYCADJWDD-UHFFFAOYSA-N
-rxn:4:213104:223279,O=C(CN1C(=O)CCC1=O)N1CCC(Oc2ncccc2-c2cnc(C3CCCN3)nc2)CC1,OSMROTGBSWJRMP-UHFFFAOYSA-N
-rxn:4:213123:224683,O=C(Cc1ccccc1-c1cc(F)cc(C(=O)N2CCCCC2)c1)N1CCN(c2ccnc(C(F)(F)F)c2)C(=O)C1,BATHUBPKSSLQPF-UHFFFAOYSA-N
-rxn:4:213130:225979,CC(C)(C)OC(=O)N1CCN(Cc2cncc(-c3cnc(N4CCOCC4)c(Cl)c3)c2)CC1,JIQKARBDTGMBAT-UHFFFAOYSA-N
-rxn:4:213132:226981,CCCCCCc1ccsc1-c1cnc(OCC2CCCN(C(=O)C(C)(C)C)C2)nc1,VWUCNZZDODXZAO-UHFFFAOYSA-N
-rxn:4:213133:224291,Fc1cc(-c2cnc(OCC3CCN(CC4CCCO4)CC3)nc2)ccc1OCCN1CCOCC1,SNCGXFQFDLOIQO-UHFFFAOYSA-N
-rxn:4:213134:223787,CCC(C)(C)C(=O)N1CCC(Oc2ncc(-c3ccc(OCCCN4CCN(C)CC4)c(F)c3)cn2)CC1,INWDIIDCZNSNEO-UHFFFAOYSA-N
-rxn:4:213137:226844,CCOC(=O)c1nc(N2CCN(C(C)C)CC2)ccc1-c1ccnc(C(=O)C(F)(F)F)c1,ZWEOGOIYMCBZCY-UHFFFAOYSA-N
-rxn:4:213138:223179,CONC(=O)c1cc(-c2cnc(F)c(CN3CCN(C(=O)OC(C)(C)C)CC3)c2)ccc1F,XKGDUTZCQNGPTD-UHFFFAOYSA-N
-rxn:4:213182:223606,Cc1ccc(CC(=O)N2CCC(Oc3ncc(-c4ccc(S(=O)(=O)N5CCC6(CC5)OCCO6)c(F)c4)cn3)CC2)cc1,XCWWKWVMOKOLFJ-UHFFFAOYSA-N
-rxn:4:213191:222637,CC(NC(=O)OC(C)(C)C)c1ccc(-c2ccc(C(=O)N3CCCN(C(=O)OC(C)(C)C)CC3)cn2)cc1,IRCKXCVRZNBRJY-UHFFFAOYSA-N
-rxn:4:213191:223279,CC(C)(C)OC(=O)N1CCCN(C(=O)c2ccc(-c3cnc(C4CCCN4)nc3)nc2)CC1,JAGIDPJMWJFFFP-UHFFFAOYSA-N
-rxn:4:213203:225217,Cc1ccc(OCC2CCN(S(=O)(=O)c3ccc(-c4cnc(N5CCCC(C)C5)cc4F)cc3)CC2)nn1,NJPQLDWKAZMCRZ-UHFFFAOYSA-N
-rxn:4:213213:226825,Cc1cc(C(F)(F)F)c(Cl)cc1-c1cccc(N(C)C2CCN(C(=O)OC(C)(C)C)CC2)n1,WCHQAEZGDLJCRI-UHFFFAOYSA-N
-rxn:4:213215:225761,CC(C)Cc1ccc(-c2cnc(OCC3CCN(CC4CCOCC4)CC3)nc2)c([N+](=O)[O-])c1,RTLGSJFMQPKHBD-UHFFFAOYSA-N
-rxn:4:213228:224845,CC1CN(S(=O)(=O)c2cncc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)c2)CCN1C(=O)OC(C)(C)C,WEFRKJKNONDHTF-UHFFFAOYSA-N
-rxn:4:213229:223179,CONC(=O)c1cc(-c2cc(F)c([N+](=O)[O-])c(N3CCN(C(=O)OC(C)(C)C)C(C)C3)c2)ccc1F,BBTMKMTXBPGRJG-UHFFFAOYSA-N
-rxn:4:213230:223279,CC1CN(C(=O)OC(C)(C)C)CCN1c1cc(-c2cnc(C3CCCN3)nc2)cc(F)c1[N+](=O)[O-],WGHCMBUYZWMHHU-UHFFFAOYSA-N
-rxn:4:213237:223179,CONC(=O)c1cc(-c2ccc(-c3cnc([C@@H]4CC(F)(F)CN4C(=O)OC(C)(C)C)[nH]3)cc2)ccc1F,ZFDMYFDBXSDGBB-NRFANRHFSA-N
-rxn:4:213239:223179,CONC(=O)c1cc(-c2cncc(C(=O)N3CCN(C(=O)C4CC4c4ccc(F)cc4)CC3)c2)ccc1F,RFKDVXJDIACFMT-UHFFFAOYSA-N
-rxn:4:213248:225290,COc1ccc(-c2cc(OC(C)C)cc(C(F)(F)F)c2)c(C(=O)N2CCC(c3nnc(C(C)C)o3)CC2)c1,QWQJXYYLPGWUFV-UHFFFAOYSA-N
-rxn:4:213259:223660,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc(C(=O)N4CCN(C(=O)OC(C)(C)C)C(C)(C)C4)cn3)s2)CC1,PEEVUZHMGREMEU-UHFFFAOYSA-N
-rxn:4:213259:224842,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3ccc4c(c3)C(C)(C)CCC4(C)C)nc2)CC1(C)C,AFEPBXUJOBGMHE-UHFFFAOYSA-N
-rxn:4:213261:226844,O=C(c1cc(-c2ccc(CN3CCN(CC(F)(F)F)CC3)c(N3CCOCC3)c2)ccn1)C(F)(F)F,OQXGMIKVMOFWCB-UHFFFAOYSA-N
-rxn:4:213267:226844,CC(C)N1CCN(c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)c(C(=O)OC(C)(C)C)n2)CC1,CIEGQVMRAHJRIH-UHFFFAOYSA-N
-rxn:4:213273:223505,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(-c3cnccc3OC3CCN(C(=O)c4ccc(N5CCOCC5)cc4)C3)cc2)CC1,FQQVGGROVLVMQE-UHFFFAOYSA-N
-rxn:4:213280:223179,CONC(=O)c1cc(-c2ccc(CN3CCN(CC(F)(F)F)CC3)c(N3CCCCC3)c2)ccc1F,QJCHQMKPXBBDDT-UHFFFAOYSA-N
-rxn:4:213281:226362,Cn1ccc(-c2cccc(-c3cccnc3OC3CCN(C(=O)C4CCN(S(C)(=O)=O)CC4)CC3)c2)n1,KRWGBOTUIODQSZ-UHFFFAOYSA-N
-rxn:4:213281:226785,Cc1cnn(-c2ncc(-c3cccnc3OC3CCN(C(=O)C4CCN(S(C)(=O)=O)CC4)CC3)cn2)c1,HZAGXAPNFUVLRB-UHFFFAOYSA-N
-rxn:4:213282:227478,COC(OC)c1cncc(-c2cccc(N3CC(C(=O)N4CCC(Oc5ccncc5)CC4)CC3=O)c2)c1,VCRODKCTSLYKKS-UHFFFAOYSA-N
-rxn:4:213320:224421,COC(=O)c1nc(-c2c(C(C)C)cc(C(C)C)cc2C(C)C)n2c1CN(C(=O)OC(C)(C)C)CC2,KHXLLUMWAMIFRO-UHFFFAOYSA-N
-rxn:4:213336:227063,COC(=O)c1nc(-c2ccc(C)cc2OC(C)C)n2c1CCN(C(=O)OC(C)(C)C)CC2,MOXPKCFCYGBKKN-UHFFFAOYSA-N
-rxn:4:213338:223279,CN(C)C(=O)CSC1=NC2CS(=O)(=O)CC2N1c1ccc(-c2cnc(C3CCCN3)nc2)cc1F,FLBOTKKSRNUKKE-UHFFFAOYSA-N
-rxn:4:213380:223179,CONC(=O)c1cc(-c2ccc(-n3c(SCC(=O)N4CCCCC4)nc4c(c3=O)SCC4)cc2)ccc1F,GHRKCURMNDSPMF-UHFFFAOYSA-N
-rxn:4:213412:225619,CC(C)CS(=O)(=O)C1CCN(C(=O)c2c3ccc(-c4ccc(Cl)cc4OC4CCCC4)cc3nn2C)CC1,CTVIPZGEANUCFK-UHFFFAOYSA-N
-rxn:4:213415:223279,O=C(CSc1nc2c(c(=O)n1-c1ccc(-c3cnc(C4CCCN4)nc3)cc1)SCC2)N1CCCCCC1,PMVFYYZPQQIMDO-UHFFFAOYSA-N
-rxn:4:213474:223179,CONC(=O)c1cc(-c2ccc3c(c2)C(F)(F)c2cc(-c4cnc([C@@H]5CC6(CC6)CN5C(=O)OC(C)(C)C)[nH]4)ccc2-3)ccc1F,ZZLNUGGIQAXXRW-LJAQVGFWSA-N
-rxn:4:213634:222744,CC(C)(C)OC(=O)NCc1ccccc1-c1cnn(CC2CCCN(CC(F)(F)F)C2)c1,LPRUAPHFQGXGBZ-UHFFFAOYSA-N
-rxn:4:213671:222797,Cc1ccc(S(=O)(=O)NC(C)(C)C)c(-c2ccc(CN3CCN(CC(F)(F)F)CC3)cn2)c1,FIFUNOAFECVJSO-UHFFFAOYSA-N
-rxn:4:213680:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1cc(N2CCN(CC(F)(F)F)CC2)c([N+](=O)[O-])cc1F,QYYLYNUWEWAPIO-UHFFFAOYSA-N
-rxn:4:213693:223036,CC(C(=O)N1CCCC(C(F)(F)F)C1)n1cc(-c2ccc(NC(=O)C(C)(C)C)nc2)cn1,WMYULKMYLVXNJR-UHFFFAOYSA-N
-rxn:4:213718:222928,Cc1nc(N2CCC(O)CC2)ncc1-c1cnn(CC2CN(CC3COCCO3)C2)c1,IUQGOBMZDKAOPD-UHFFFAOYSA-N
-rxn:4:213720:222936,CCC(=O)NS(=O)(=O)c1ccc(-c2ccnn2C2CCN(C(=O)OC(C)(C)C)C2)cc1,AYZGGIAHCHPTHU-UHFFFAOYSA-N
-rxn:4:213756:222887,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3cccc(C(=O)N4CCNCC4)c3)s2)CC1,KHFSNRXOVAFKHD-UHFFFAOYSA-N
-rxn:4:213759:223499,CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(-c3cnc(C4CCCN4C(=O)OC(C)(C)C)cn3)ccc2Cl)CC1,ZWDTZSGYXJKGDD-UHFFFAOYSA-N
-rxn:4:213788:223845,CN1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2cccc(C(=O)N3CCC(c4nnc(C(F)(F)F)o4)CC3)c2)CC1,GQWKPHUQHAFGAZ-UHFFFAOYSA-N
-rxn:4:213805:225188,CC(C)(C)OC(=O)N1CCOC(c2ncc(-c3ccc(Cl)c(CN4CCOCC4)c3)cn2)C1,LKVJWSBHVMDIRS-UHFFFAOYSA-N
-rxn:4:213809:223522,CC(C)(C)[Si](C)(C)OC1CCN(c2cc(F)cc(-c3ccccc3C(=O)N3CCC(Oc4cnccn4)CC3)c2)CC1,KZQKFHSHEWFVOU-UHFFFAOYSA-N
-rxn:4:213814:223522,Cc1ncccc1C(=O)N1CCC(Oc2ncccc2-c2cc(F)cc(N3CCC(O[Si](C)(C)C(C)(C)C)CC3)c2)C1,BYBHGRRHJKMMTH-UHFFFAOYSA-N
-rxn:4:213818:223522,CC(C)(C)[Si](C)(C)OC1CCN(c2cc(F)cc(-c3cnc(OC4CCN(C(=O)c5ccccc5)CC4)nc3)c2)CC1,UMASXFQBVXJFHE-UHFFFAOYSA-N
-rxn:4:213825:223812,O=C(c1ccccc1-c1cc(F)cc(CN2CCC3(CC2)OCCO3)c1)N1CCCC(Oc2ncc(F)cn2)C1,JABUOEPADODFNB-UHFFFAOYSA-N
-rxn:4:213829:222844,O=C(Nc1cccc(-c2cnc(OC3CCCN(C(=O)c4ccc(F)c(F)c4F)C3)nc2)c1)C1CCCC1,MOSMZNPGUCZFEQ-UHFFFAOYSA-N
-rxn:4:213833:224167,CN(Cc1ccc(-c2ccn(C3CCN(C(=O)OC(C)(C)C)CC3)n2)cc1)C(=O)OC(C)(C)C,AQLLCKBFJJHYRU-UHFFFAOYSA-N
-rxn:4:213835:225188,CC(C)(C)OC(=O)N1CCC(n2nccc2-c2ccc(Cl)c(CN3CCOCC3)c2)CC1,YDAIOTRJHZZHEM-UHFFFAOYSA-N
-rxn:4:213840:222936,CCC(=O)NS(=O)(=O)c1ccc(-c2nccn2C2CCCN(C(=O)OC(C)(C)C)C2)cc1,LNJKKHGHALDPQS-UHFFFAOYSA-N
-rxn:4:213844:223666,CC(C)(C)OC(=O)N1CCN(c2cccc(-c3cccc(COc4ccc(OC(F)(F)F)cc4)c3)n2)C(=O)C1,OQUWMCULMNJUOY-UHFFFAOYSA-N
-rxn:4:213910:223174,CCS(=O)(=O)Nc1ccc(-c2cccnc2OC2CCN(S(=O)(=O)N3CCOCC3)C2)cc1,NJIZLLYFMWFKSW-UHFFFAOYSA-N
-rxn:4:213931:225885,CCCn1nnc2cc(-c3cc(C(F)(F)F)cnc3N3CCOC(C(=O)N4CCCC4)C3)c(F)cc21,DOHHHEXPLZZQLZ-UHFFFAOYSA-N
-rxn:4:213938:222930,O=S(=O)(c1ccc(-c2cnc(Cl)c(N3CCCC(O)C3)c2)cc1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1,HACVBLCQSLZHRC-UHFFFAOYSA-N
-rxn:4:213954:223279,O=C1C(N2CCC(Oc3ccncc3-c3cnc(C4CCCN4)nc3)C2)CCN1C1CC1,QYZQBPZONWBKTN-UHFFFAOYSA-N
-rxn:4:213969:223994,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1ccc(C(=O)N2CCC(N3CC(=O)N(C4CC4)C3=O)CC2)o1,AEZFCECJJHIZSR-UHFFFAOYSA-N
-rxn:4:213971:223279,O=C(C1CN(c2ncc(C(F)(F)F)cc2-c2cnc(C3CCCN3)nc2)CCO1)N1CCOCC1,PLZKWWUKHWDBLH-UHFFFAOYSA-N
-rxn:4:213971:224886,CC1CCN(Cc2ccc(-c3cc(C(F)(F)F)cnc3N3CCOC(C(=O)N4CCOCC4)C3)cc2)CC1,QFWYFBREZVZRGE-UHFFFAOYSA-N
-rxn:4:213972:224645,COc1cc(C(=O)N2CCCC2)ccc1-c1cnc(N2CCOC(C(=O)N3CCOCC3)C2)c(C(F)(F)F)c1,VZBAAUYCJATNRE-UHFFFAOYSA-N
-rxn:4:213980:225526,CCN(CC)C(=O)c1cccc(-c2ccnc(C3CCN(C(=O)OC(C)(C)C)CC3C)n2)c1,RIPYLSSTSCKJLA-UHFFFAOYSA-N
-rxn:4:213980:225758,CC1CN(C(=O)OC(C)(C)C)CCC1c1nccc(-c2ccncc2C(=O)OC(C)(C)C)n1,FRCGGSRIOGMTEE-UHFFFAOYSA-N
-rxn:4:213990:222928,Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1-c1cnc(N2CCC(O)CC2)nc1C,DPVIHSDRUKKVTD-UHFFFAOYSA-N
-rxn:4:213995:226844,CN1CCN(c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)c(C(=O)OC(C)(C)C)n2)CC1,MEUVXUMRKWUBOF-UHFFFAOYSA-N
-rxn:4:214014:223179,CONC(=O)c1cc(-c2cncc(C(=O)N3CCCSCC3CN3CCCC3)c2)ccc1F,WBRZTSMJDJEQLB-UHFFFAOYSA-N
-rxn:4:214024:224463,CC(=O)c1ccc(-c2ccc(-c3cnc(OC4CCN(C(=O)C5CCC(F)(F)CC5)CC4)nc3)cc2)cc1,PDZLAYUREKIZMB-UHFFFAOYSA-N
-rxn:4:214027:225956,Cc1cnn(-c2cc(-c3cnc(N4CCCC(C(=O)N5CCOCC5)C4)c(C(F)(F)F)c3)c(F)cn2)c1,JABYZEPWNVHEMS-UHFFFAOYSA-N
-rxn:4:214028:223279,O=C(C1CN(c2ncc(C(F)(F)F)cc2-c2cnc(C3CCCN3)nc2)CCO1)N1CCCCC1,PGKHYJCGHVKKEA-UHFFFAOYSA-N
-rxn:4:214029:223179,CONC(=O)c1cc(-c2cnc(N3CCCC(C(=O)N4CCSCC4)C3)c(C(F)(F)F)c2)ccc1F,TUPPSKBPGWDMDF-UHFFFAOYSA-N
-rxn:4:214033:226093,CC(C)CCSc1ccc(-c2cc(C3=N[C@@H](C(C)C)CO3)nc(C3=N[C@@H](C(C)C)CO3)c2)cc1,MPIQDUKEWXEQIG-CLJLJLNGSA-N
-rxn:4:214033:226907,CC(C)[C@H]1COC(c2cc(-c3cccc4c3CCC43CC3)cc(C3=N[C@@H](C(C)C)CO3)n2)=N1,YWJDXZAEDCQQHK-JWQCQUIFSA-N
-rxn:4:214033:227913,CC(C)Oc1ccc(-c2cc(C3=N[C@@H](C(C)C)CO3)nc(C3=N[C@@H](C(C)C)CO3)c2)cc1,PUUREWZADQGFCY-DNQXCXABSA-N
-rxn:4:214038:224010,COc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1cnc(OC2CCCN(S(=O)(=O)c3ccc(C)c(C)c3)C2)nc1,PFTYLORODJDLLO-UHFFFAOYSA-N
-rxn:4:214047:226844,Cc1cc(N2CCN(C(=O)OC(C)(C)C)C(C)C2)ncc1-c1ccnc(C(=O)C(F)(F)F)c1,OZMCLFBNQUDVGK-UHFFFAOYSA-N
-rxn:4:214049:226844,N#CC1CCN(Cc2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2N2CCCCC2)CC1,HTZLOWSDFYIYPA-UHFFFAOYSA-N
-rxn:4:214057:226844,CCN1CCN(Cc2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2N2CCCC2)CC1,LLZGBZMNLXCJFV-UHFFFAOYSA-N
-rxn:4:214059:223590,Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1-c1ccc(N2CCC3(CC2)CN(C(=O)OC(C)(C)C)C3)nc1,MLYMCORVHJPNEH-UHFFFAOYSA-N
-rxn:4:214083:222711,COc1ccc(-c2ccccc2-c2noc(C3CCN(S(=O)(=O)c4ccc(C)c(C)c4)CC3)n2)cc1S(=O)(=O)NC(C)(C)C,CNIKPYPBMNRFPY-UHFFFAOYSA-N
-rxn:4:214083:224391,Cc1ccc(S(=O)(=O)N2CCC(c3nc(-c4ccccc4-c4ccc(S(=O)(=O)N5CCOCC5)cc4C)no3)CC2)cc1C,NXYUDNAHEYRHAK-UHFFFAOYSA-N
-rxn:4:214086:225383,CC(C)N1CCN(Cc2ccc(-c3c(C(F)(F)F)cccc3C(F)(F)F)cc2N2CCCCC2)CC1,DOTKYZOEUAUUPS-UHFFFAOYSA-N
-rxn:4:214086:226374,CC(C)N1CCN(Cc2ccc(-c3cncnc3C3CCCCC3)cc2N2CCCCC2)CC1,NZRLJVAKJDPOQA-UHFFFAOYSA-N
-rxn:4:214086:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(CN2CCN(C(C)C)CC2)c(N2CCCCC2)c1,JKYWZOISIQCALY-UHFFFAOYSA-N
-rxn:4:214109:224190,CCOC(=O)c1cnc2c(-c3ccc(OC)c(O[Si](C)(C)C(C)(C)C)c3)c(C)nn2c1C(F)(F)F,SJRDLLYBLUPCKU-UHFFFAOYSA-N
-rxn:4:214179:222819,CC(C)(C)OC(=O)N1CC(c2ncn3ccc(-c4ccc(NC(=O)N5CCOCC5)nc4)cc23)C1,AHZHGDLZPZFHKL-UHFFFAOYSA-N
-rxn:4:214190:222834,CCC(CC)NC(=O)c1ccc(-c2cccc3c2ccn3CC(=O)N2CCN(C(C)=O)CC2)cc1,MXDKTZPCFXRBPI-UHFFFAOYSA-N
-rxn:4:214274:224751,CC(C)(C)OC(=O)N1CCC(n2ncc3c(-c4ccc(F)c(C(=O)N5CCOCC5)c4)cccc32)CC1,BVTCHJFDNXDPQL-UHFFFAOYSA-N
-rxn:4:214331:223916,CC(C)N1CCN(C(=O)c2ccc(-c3ccc4c(c3)sc(=NC(=O)c3ccc(S(=O)(=O)N5CCOCC5)cc3)n4C)cc2)CC1,PPANGSBQSJIYAZ-UHFFFAOYSA-N
-rxn:4:214333:223179,CONC(=O)c1cc(-c2ccc3c(C)nc(C4CCN(C(=O)OC(C)(C)C)CC4)nc3c2)ccc1F,IPCDYGGZDRRAHA-UHFFFAOYSA-N
-rxn:4:214333:223534,Cc1nc(C2CCN(C(=O)OC(C)(C)C)CC2)nc2cc(-c3cc(OC4CCN(C(=O)OC(C)(C)C)CC4)ncc3F)ccc12,ZLINWIHHQPZNLM-UHFFFAOYSA-N
-rxn:4:214347:225159,Cn1c(=NC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)sc2cc(-c3cccc(C(=O)N4CCOCC4)c3)ccc21,QPGMNLOLXHMOTB-UHFFFAOYSA-N
-rxn:4:214361:223179,CONC(=O)c1cc(-c2ccc3c(c2)nc([C@@H]2CCCC(=O)N2c2ccc(F)c(F)c2)n3[C@H]2CC[C@H](OC)CC2)ccc1F,LXRTWHPKKWRTMC-RALMQAKXSA-N
-rxn:4:214361:226844,CO[C@H]1CC[C@H](n2c([C@@H]3CCCC(=O)N3c3ccc(F)c(F)c3)nc3cc(-c4ccnc(C(=O)C(F)(F)F)c4)ccc32)CC1,IASDQEHCTBDQFT-AHPZTNMXSA-N
-rxn:4:214379:223179,CONC(=O)c1cc(-c2ccc(C(=O)N3CCN(S(=O)(=O)c4cc5c6c(c4)CCN6C(=O)CC5)CC3)o2)ccc1F,ZBCKSCWCUFYBIO-UHFFFAOYSA-N
-rxn:4:214389:223179,CONC(=O)c1cc(-c2ccc3c(c2)C2(C(=O)N3CCC(C)C)c3[nH]c4ccccc4c3CCN2C(C)=O)ccc1F,ONNVRARWJDATAC-UHFFFAOYSA-N
-rxn:4:214389:223279,CC(=O)N1CCc2c([nH]c3ccccc23)C12C(=O)N(CCC(C)C)c1ccc(-c3cnc(C4CCCN4)nc3)cc12,YOIJFTPRJVBFKQ-UHFFFAOYSA-N
-rxn:4:214391:227233,COc1ccc(C2=NN3C(C2)c2cc(-c4ccc(CC#N)c(OC)c4)ccc2OC32CCN(Cc3ccccc3)CC2)cc1,PXAPZAGCQYOAFP-UHFFFAOYSA-N
-rxn:4:214586:223973,CC(=O)N1CCC(Oc2cnc(-c3ccc(N4CCCC(C)C4)cc3C(F)(F)F)cn2)C1,CCXZBCSZKVMWFA-UHFFFAOYSA-N
-rxn:4:214678:223888,CCN1CCN(C(=O)c2cc(-c3ccc4c(c3)N(C(=O)OC(C)(C)C)CCC4)cnc2Cl)CC1,VZJJGFCGWSSGOM-UHFFFAOYSA-N
-rxn:4:214679:224789,CCCOc1cc(OC(F)(F)F)cc(-c2cn(C)nc2CN2CCC(C(F)(F)F)CC2)c1,JGVCHWVDERHRSK-UHFFFAOYSA-N
-rxn:4:214705:223992,Cc1ccc(-c2cnc(CC3CCN(S(C)(=O)=O)CC3)cn2)cc1S(=O)(=O)N1CCN(C)CC1,DBJRZWOCWDQZNN-UHFFFAOYSA-N
-rxn:4:214743:224667,CN1CCN(Cc2cc(-c3cccc(N4CCC(N(C)C)CC4)c3C#N)ccc2Cl)CC1,REBUEFQILRANAO-UHFFFAOYSA-N
-rxn:4:214773:224685,CC(C)N1CCN(S(=O)(=O)c2cncc(-c3cccc(C(=O)N4CCC(=O)CC4)c3)c2)CC1,NHWFOMMFWZWXNP-UHFFFAOYSA-N
-rxn:4:214791:224125,Cc1nc(N2CCN(CC3CC3)CC2)ccc1-c1ccc(CN2CCN(C3CC3)CC2)cc1,KLJHIBJMJXTDGF-UHFFFAOYSA-N
-rxn:4:214791:224589,Cc1nc(N2CCN(CC3CC3)CC2)ccc1-c1ccc(F)cc1CN1CCC(C)CC1,FKJVPDNEAWLATN-UHFFFAOYSA-N
-rxn:4:214803:222952,O=C(C1CN(c2ccc(-c3cccc(NC(=O)C(F)(F)F)c3F)cn2)CCO1)N1CCCC1,XKALPHIBZOQSTL-UHFFFAOYSA-N
-rxn:4:214819:223687,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3cc(Cl)cnc3N3CCOC(C(=O)N4CCCC4)C3)cn2)CC1,PYLWRNVOYLEIDB-UHFFFAOYSA-N
-rxn:4:214819:226231,CCCCOc1ncc(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCCC3)C2)cc1C,NMJCXSPGZILNLY-UHFFFAOYSA-N
-rxn:4:214835:226981,CCCCCCc1ccsc1-c1cc(Cl)cnc1N1CCOC(C(=O)N2CCOCC2)C1,HRNFNERHTKFNGH-UHFFFAOYSA-N
-rxn:4:214838:226236,CCCCOc1ncc(C)cc1-c1cnc(N2CCOC(C(=O)N3CCOCC3)C2)c(F)c1,AVLMUYHQTXDEEX-UHFFFAOYSA-N
-rxn:4:214850:224407,CC(C)N1CCCC(Cc2cnc(-c3cccc(S(=O)(=O)N4CCC(F)(F)C4)c3)cn2)CC1,AGWIFKPEKKYMHX-UHFFFAOYSA-N
-rxn:4:214855:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3cnc(OC4CCN(C5CCSCC5)CC4)nc3)cc2)CC1,MNEKJIODNVPCLX-UHFFFAOYSA-N
-rxn:4:214862:223951,CN1CCN(CCOc2ccc(-c3cncc(C(=O)N4CCCN(C5CCSC5)CC4)c3)cc2F)CC1,WJZVAYCUEKDUAZ-UHFFFAOYSA-N
-rxn:4:214862:225109,CC(C)(C)OC(=O)Oc1cccc(-c2cncc(C(=O)N3CCCN(C4CCSC4)CC3)c2)c1,MZSFGDJWLACFHD-UHFFFAOYSA-N
-rxn:4:214867:222634,Cc1cc(-c2ccc(OCCNC3CCCC3)c(F)c2)cnc1N1CCOC(C(=O)N2CCCC2)C1,VCZIHQBYKFUOQS-UHFFFAOYSA-N
-rxn:4:214867:226259,CCCCOc1ccc(-c2cnc(N3CCOC(C(=O)N4CCCC4)C3)c(C)c2)cc1Cl,MIINLIWKXJMYDW-UHFFFAOYSA-N
-rxn:4:214871:224957,CC(C)(C)[Si](C)(C)Oc1ccccc1-c1cnc(N2CCCC(C(=O)N3CCOCC3)C2)c(Cl)c1,MMPFQYJVKCEMCM-UHFFFAOYSA-N
-rxn:4:214872:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cc(Cl)cnc3N3CCOC(C(=O)N4CCCCC4)C3)c2Cl)CC1,KQGHGCRJTASEAM-UHFFFAOYSA-N
-rxn:4:214874:223028,CCCNC(=O)c1ccc(F)c(-c2cnc(N3CCOC(C(=O)N4CCCCC4)C3)c(F)c2)c1,XRRKWDRMIUJISZ-UHFFFAOYSA-N
-rxn:4:214875:223279,O=C(C1CCCN(c2ncc(-c3cnc(C4CCCN4)nc3)cc2F)C1)N1CCSCC1,VLUJBRZPFRPZME-UHFFFAOYSA-N
-rxn:4:214880:224393,Cc1cc(-c2cc(C(F)(F)F)ccc2N2CCOCC2)cnc1N1CCOC(C(=O)N2CCOCC2)C1,ULZOWBAPDFVBOD-UHFFFAOYSA-N
-rxn:4:214883:227244,CCOc1ccc(-c2cnccc2N2CCC(C(=O)N3CCC(F)(F)CC3)CC2)cc1OC,KZQZPFFNTHHVCA-UHFFFAOYSA-N
-rxn:4:214885:227259,COc1ccc(CSC)cc1-c1cnc(N2CCC(C(=O)N3CCC(F)(F)CC3)CC2)c(Cl)c1,IADVKQBALQKADN-UHFFFAOYSA-N
-rxn:4:214886:223279,O=C(C1CCN(c2ncc(-c3cnc(C4CCCN4)nc3)cc2F)CC1)N1CCC(F)(F)CC1,HKHUAUGTINMPGK-UHFFFAOYSA-N
-rxn:4:214890:223180,CONC(=O)c1ccc(-c2cncc(C(=O)N3CCCN(C4CCSCC4)CC3)c2)cc1F,ONUAAYLAPQQLOA-UHFFFAOYSA-N
-rxn:4:214896:227553,COC(=O)c1ccc(-c2cnc(N3CCC(C(=O)N4CCC(F)(F)CC4)CC3)c(C)c2)c(Cl)c1,AEPMSYASVKLCFM-UHFFFAOYSA-N
-rxn:4:215027:224399,CC(C)(C)OC(=O)N1CCn2ncc(-c3ccc(N4CCOCC4)cc3C(F)(F)F)c21,IVONGURQXUHAJX-UHFFFAOYSA-N
-rxn:4:215066:223772,COc1ccc2cc(-c3cnn4c3N(C(=O)OC(C)(C)C)CCC4)n(C(=O)OC(C)(C)C)c2c1,WDJFTMGVYBSLCE-UHFFFAOYSA-N
-rxn:4:215170:227249,CCCOc1ccc(Cl)c(-c2cncc(C(=O)N3CC(N4C(=O)C5CC=CCC5C4=O)C3)c2)c1,ZYNDJINJIKXOCQ-UHFFFAOYSA-N
-rxn:4:215184:224319,Cc1cc(S(=O)(=O)N2CCCCC2)ccc1-c1ccccc1S(=O)(=O)N1C2CCC1CC(n1cccn1)C2,DBXDJGMGSWMPNY-UHFFFAOYSA-N
-rxn:4:215198:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2ccc3nc(N4CCOC(C(=O)N5CCOCC5)C4)sc3c2)CC1,ZLZKUCKFODFCQK-UHFFFAOYSA-N
-rxn:4:215201:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2cnc3n2CCC32CCN(C(=O)OC(C)(C)C)CC2)cc1,GIEGVLGPNSBDHF-UHFFFAOYSA-N
-rxn:4:215201:223279,CC(C)(C)OC(=O)N1CCC2(CC1)CCn1c(-c3cnc(C4CCCN4)nc3)cnc12,MCVIREUFYNBZDC-UHFFFAOYSA-N
-rxn:4:215214:223179,CONC(=O)c1cc(-c2cnc3n2CC2(COCCN(C(=O)OC(C)(C)C)C2)C3)ccc1F,DFORNOOQDOXTQZ-UHFFFAOYSA-N
-rxn:4:215216:223176,CS(=O)(=O)NCc1cccc(-c2ccc3nc(N4CCCC(C(=O)N5CCOCC5)C4)sc3c2)c1,FLNYGBKLPBIBJA-UHFFFAOYSA-N
-rxn:4:215239:223279,O=C1C2ON(c3ccc(-c4cnc(C5CCCN5)nc4)cc3)C(c3cccnc3)C2C(=O)N1C1CCCCC1,UXWGYDFRXYKREJ-UHFFFAOYSA-N
-rxn:4:215239:223845,CN1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2ccc(N3OC4C(=O)N(C5CCCCC5)C(=O)C4C3c3cccnc3)cc2)CC1,KNTXAKNRZRRNKL-UHFFFAOYSA-N
-rxn:4:215297:223179,CONC(=O)c1cc(-c2ccc3c(c2)C2(C(=O)N3CC(C)C)c3[nH]c4ccccc4c3CCN2C(C)=O)ccc1F,WBJGAQVHERZCQA-UHFFFAOYSA-N
-rxn:4:215301:225639,CC1CCN(c2ncccc2-c2ccc3c(c2)C2CC(c4ccccc4)=NN2C2(CCN(Cc4ccccc4)CC2)O3)CC1,XYDZKAVPIRVHKI-UHFFFAOYSA-N
-rxn:4:215302:223179,CONC(=O)c1cc(-c2ccc3c(c2)C2CC(c4ccc(Cl)cc4)=NN2C2(CCN(Cc4ccccc4)CC2)O3)ccc1F,PMWKACOLBIEMOD-UHFFFAOYSA-N
-rxn:4:215309:223179,CONC(=O)c1cc(-c2cccc3c2C(=O)N2CCC[C@H]2c2c(C(=O)OC(C)(C)C)ncn2-3)ccc1F,IKVPVZHSDGNFFW-FQEVSTJZSA-N
-rxn:4:215642:223883,Cn1cc(-c2ccc3c(c2)CCCN3C(=O)OC(C)(C)C)c(CN2C(=O)C=CC2=O)n1,QUTWRNGEAMBGKA-UHFFFAOYSA-N
-rxn:4:215737:223895,CCN1CCN(CCOc2ccc(-c3cncc([N+](=O)[O-])c3N3CCOCC3)cc2)CC1,MVBJQNTXBFZBOL-UHFFFAOYSA-N
-rxn:4:215885:224318,CC1CCN(c2ncc([N+](=O)[O-])cc2-c2ccc(C(=O)N3CCN(C)CC3)c(F)c2)CC1,ZBTIXVXPSNNLFA-UHFFFAOYSA-N
-rxn:4:215925:223787,CC(C)c1cc(N2CCOCC2)nc(-c2ccc(OCCCN3CCN(C)CC3)c(F)c2)n1,MRZWHVSGZZIDQK-UHFFFAOYSA-N
-rxn:4:215969:224065,CC1CCN(c2cc(-c3cc(Cl)cnc3N3CCN(C4CCC4)CC3)cc(C3CC3)c2)CC1,JEAPNOJUVDFSJM-UHFFFAOYSA-N
-rxn:4:215984:225257,CCOC(=O)COc1cc(F)cc(-c2ccc(-n3cccc3C=C3C(=O)N(C)C(=O)N(C)C3=O)cc2)c1,FIMFDUPLMVEDFX-UHFFFAOYSA-N
-rxn:4:216216:223689,CCN1CCN(S(=O)(=O)c2cc(-c3cnn(C4CC5CCC(C4)N5C(C)=O)c3)ccc2OC)CC1,HAYAEXILSLJKBB-UHFFFAOYSA-N
-rxn:4:216356:223179,CONC(=O)c1cc(-c2ccc3c(c2)C2CC(c4ccc(OC)cc4)=NN2C2(CCN(C)CC2)O3)ccc1F,WVCFJBVBSXFPKI-UHFFFAOYSA-N
-rxn:4:216921:223593,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(N4CCCC4=O)cn3)cc2Cl)CC1,RFGWGPGJJVPJBL-UHFFFAOYSA-N
-rxn:4:217025:223542,CN1CCN(S(=O)(=O)c2cc(-c3ccnc(N4CCCC4)n3)ccc2OC(F)(F)F)CC1,LIGIITPYPLFRRN-UHFFFAOYSA-N
-rxn:4:217103:223595,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(N4CCC(=O)CC4)nc3)cc2F)CC1,LDXDUWYPCUBUCV-UHFFFAOYSA-N
-rxn:4:217107:223602,CN1CCN(c2cncc(-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3Cl)c2)C1=O,LJFPCXHZCCFKAN-UHFFFAOYSA-N
-rxn:4:217111:223595,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(N4CCCCC4)cn3)cc2F)CC1,ITUGVKCLJQQILC-UHFFFAOYSA-N
-rxn:4:217111:223596,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)ccc2-c2cnc(N3CCCCC3)cn2)CC1,WFYIYDRDOIDAEF-UHFFFAOYSA-N
-rxn:4:217112:223595,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc(N4CCCCC4)nn3)cc2F)CC1,RPTFGLQYJXLHSR-UHFFFAOYSA-N
-rxn:4:217112:223596,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)ccc2-c2ccc(N3CCCCC3)nn2)CC1,IAQCWRLIYWNDIY-UHFFFAOYSA-N
-rxn:4:217852:223646,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3nn(C4CCCCO4)c4c(Cl)nccc34)cc2)C1,PKDJCQCFBAZUHC-UHFFFAOYSA-N
-rxn:4:217865:223726,C=C1CC2CCC(C1)N2c1ncc(-c2ccc([C@H]3CC[C@H](CCCCC)CC3)cc2F)cn1,NTFVFEOZRPDJKC-KCKVDPLKSA-N
-rxn:4:217889:223970,Cc1ccc(-c2cnc(N3C4CCC3CC(=C3CC3)C4)nc2)cc1S(=O)(=O)N1CCC(C)CC1,NJQPEPXKOMWSST-UHFFFAOYSA-N
-rxn:4:217902:223790,CC(C)(C)OC(=O)N1CCCC1c1cncc(-c2c3c(c([N+](=O)[O-])c4cn[nH]c24)C(C)(C)CC3(C)C)c1,OEOGWZVWYLFYOH-UHFFFAOYSA-N
-rxn:4:217904:223830,CCN1CCN(S(=O)(=O)c2cc(-c3ccc4c(c3)C3(C(=O)N4C)c4[nH]c5ccccc5c4CCN3C(C)=O)ccc2C)CC1,XUAMPDLYJOLVRE-UHFFFAOYSA-N
-rxn:4:217905:223179,CONC(=O)c1cc(-c2ccc3c(c2)C2CC(c4ccc(C)o4)=NN2C2(CCN(C)CC2)O3)ccc1F,QULHTPZOCPEPND-UHFFFAOYSA-N
-rxn:4:217907:223179,CONC(=O)c1cc(-c2ccc3c(c2)C2CC(c4ccc(Cl)cc4)=NN2C2(CCN(C)CC2)O3)ccc1F,AGICITHKTWIKHA-UHFFFAOYSA-N
-rxn:4:218588:226583,N#Cc1ccccc1S(=O)(=O)N1CCC(COc2ncc(-c3ccc(CN4CCOCC4)s3)cn2)CC1,OQRHPLJQXWAHBC-UHFFFAOYSA-N
-rxn:4:218600:223880,Cc1ccc2c(c1)cc(-c1cnn(CCN3CCN(C(=O)OC(C)(C)C)CC3)c1)n2C(=O)OC(C)(C)C,QEGGXSYUJYBIDR-UHFFFAOYSA-N
-rxn:4:218608:225080,COC(=O)C1CCc2cc(-c3cnc(OCC4CCCN(C(=O)c5cc(C6CC6)on5)C4)nc3)ccc2O1,FRHHNSOOXYOCHO-UHFFFAOYSA-N
-rxn:4:218620:222879,CC(C)(C)C(=O)Nc1cccc(Cl)c1-c1cnc(OCC2CCCN(Cc3csc(C4CC4)n3)C2)nc1,ZAWKOWKWNPCBEY-UHFFFAOYSA-N
-rxn:4:218621:222730,CCCc1cc(-c2cnc(OC3CCN(S(=O)(=O)CCN4C(=O)CCCC4=O)C3)nc2)cc(C2CCNCC2)n1,UNYFANZFYYBMRH-UHFFFAOYSA-N
-rxn:4:218631:225936,CC(C)c1ncc(C(F)(F)F)cc1-c1cnc(OCC2CCN(C3CCN(CC(F)(F)F)C3=O)CC2)nc1,XHZGYOBJGTWKHY-UHFFFAOYSA-N
-rxn:4:218652:225322,CN(CC1CCN(C(=O)OC(C)(C)C)CC1)c1cnc(-c2cccc3c2c(C(F)(F)F)nn3C)cn1,PSBKARNRMCZBNH-UHFFFAOYSA-N
-rxn:4:218655:223179,CONC(=O)c1cc(-c2cnc(OCC3CCN(C(=O)c4cn(C)c(=O)cc4OC)CC3)nc2)ccc1F,WAFSJSOQMRYZAI-UHFFFAOYSA-N
-rxn:4:218655:225168,COc1cc(=O)n(C)cc1C(=O)N1CCC(COc2ncc(-c3ccc(CN4CCOCC4)c(F)c3)cn2)CC1,LPMZQSBWUDLFOW-UHFFFAOYSA-N
-rxn:4:218665:225127,Cc1cc(-c2cnc(OCC3CCCN(C(=O)c4cccc(N(C)C)c4)C3)nc2)c(F)c(OCC(C)C)c1F,HXYTYQQGCULJDJ-UHFFFAOYSA-N
-rxn:4:218706:224568,COc1cccc(Oc2ccccc2-c2c(C)nn(CCC(=O)N3CCN(S(=O)(=O)c4ccc(C)c(C)c4)CC3)c2C)c1,IUMZFJIODQZTAZ-UHFFFAOYSA-N
-rxn:4:218711:223531,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cc([N+](=O)[O-])ccc3N3CCC(N4CCN(C(=O)OC(C)(C)C)CC4)CC3)cc2Cl)CC1,PSVDYMOUWPATTD-UHFFFAOYSA-N
-rxn:4:218712:225220,Cc1ccc(S(=O)(=O)N2CCN(C(=O)CC(C)n3nc(C)c(-c4cnc(N5CCCCC5C)c(Cl)c4)c3C)CC2)c(C)c1,CKXHDONRVBPCDY-UHFFFAOYSA-N
-rxn:4:218754:223179,CONC(=O)c1cc(-c2csc3c(=O)n(C4CCN(C(=O)OC(C)(C)C)CC4)c(=O)n(CC#N)c23)ccc1F,RMHUIRPWNUOJNV-UHFFFAOYSA-N
-rxn:4:218755:223179,CONC(=O)c1cc(-c2cc3c(s2)c(=O)n(C2CCN(C(=O)OC(C)(C)C)CC2)c(=O)n3CC#N)ccc1F,DBJXMZOBLWOJLX-UHFFFAOYSA-N
-rxn:4:218755:223279,CC(C)(C)OC(=O)N1CCC(n2c(=O)c3sc(-c4cnc(C5CCCN5)nc4)cc3n(CC#N)c2=O)CC1,CNOUUMFGNHVUJT-UHFFFAOYSA-N
-rxn:4:218769:228003,CSc1cc(C)c(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCCC4)CC3)c2)c(C)c1,UJZGSZHSYSQFGN-UHFFFAOYSA-N
-rxn:4:218778:226539,CCOC(=O)c1ccc(Cl)cc1-c1cc(Cl)cc2c1nc(N1CC3(CN(C(=O)OC(C)(C)C)C3)C1)n2Cc1cc(C)c(F)c(C)c1,OQYNBZICLGABGO-UHFFFAOYSA-N
-rxn:4:218786:224299,CS(=O)(=O)N1CCN(C(=O)CCC(=O)N2CCc3[nH]c4c(-c5cc([N+](=O)[O-])ccc5[Se]c5ccccc5)cccc4c3C2)CC1,ZELQFFVOJGCSQO-UHFFFAOYSA-N
-rxn:4:218824:223809,CN(CC1CN(c2ncc(-c3cc(N4CCOCC4)cc(N4CCOCC4)c3)cn2)C1)S(=O)(=O)C1CC1,GRKHSSDQKGCVAJ-UHFFFAOYSA-N
-rxn:4:218867:223169,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3cnc(C4CCNCC4)nc3)c2)no1,UPDHFVDOLMSKHC-UHFFFAOYSA-N
-rxn:4:218867:226176,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3ccncc3C3CCCCC3)c2)no1,NRDXSSXAKWAJHN-UHFFFAOYSA-N
-rxn:4:218868:226175,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3ccc(N4CCCC4)cc3C)cc2)no1,GVVRIHRSNRPQLJ-UHFFFAOYSA-N
-rxn:4:218877:223279,O=C(CN1CCOC1=O)N1CCCC(Oc2ncc(-c3cnc(C4CCCN4)nc3)cn2)C1,BYGNGOVTPILRFP-UHFFFAOYSA-N
-rxn:4:218886:223945,Cc1ncsc1C(=O)N1CCCC(COc2ncc(-c3ccc(OCCCN4CCOCC4)c(F)c3)cn2)C1,DYZHQBJMZRSGEA-UHFFFAOYSA-N
-rxn:4:218888:224325,Cc1oncc1C(=O)N1CCCC(COc2ncc(-c3ccc(C4=CCN(S(C)(=O)=O)CC4)cc3)cn2)C1,UMYWTSPJSVCKAE-UHFFFAOYSA-N
-rxn:4:218919:222614,Cc1cc(=O)n(CC(=O)N2CCC(Oc3ccncc3-c3ccc(S(=O)(=O)NC4CC4)cc3C(F)(F)F)C2)cn1,ARJSJICKPWFWDZ-UHFFFAOYSA-N
-rxn:4:218919:223983,CCN1CCN(S(=O)(=O)c2ccccc2-c2cnccc2OC2CCN(C(=O)Cn3cnc(C)cc3=O)C2)CC1,FBXJKNSLNICASY-UHFFFAOYSA-N
-rxn:4:218944:223179,CONC(=O)c1cc(-c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)c([N+](=O)[O-])c2)ccc1F,HZBOHEIWFAACJE-UHFFFAOYSA-N
-rxn:4:218967:222797,COc1nn(C)cc1C(=O)N1CCC(Oc2ncccc2-c2cc(C)ccc2S(=O)(=O)NC(C)(C)C)CC1,VYOHTLHKRCUPMU-UHFFFAOYSA-N
-rxn:4:218970:223945,Cc1noc(C)c1C(=O)N1CCCC(COc2ncc(-c3ccc(OCCCN4CCOCC4)c(F)c3)cn2)C1,ZQKXCVDTLLZFED-UHFFFAOYSA-N
-rxn:4:218976:224423,CCC[C@H]1CC[C@H](c2ccc(-c3cnc(OC4CCN(C5CCN(CC(F)(F)F)C5=O)CC4)nc3)cc2)CC1,HFEORZSXOVBKOJ-INCBEPGWSA-N
-rxn:4:218992:224675,CS(=O)(=O)N1CCC(C(=O)N2CC(Cn3cc(-c4cnc(-c5ccc(C#N)cc5)c(Cl)c4)cn3)C2)CC1,GACDEYTULLRBOA-UHFFFAOYSA-N
-rxn:4:218993:223533,Cc1nc(C)c(CN2CCC(COc3ncc(-c4ccc(CN5CCN(C(=O)OC(C)(C)C)CC5)cc4F)cn3)CC2)s1,NGDPPKWOOKTFTR-UHFFFAOYSA-N
-rxn:4:218993:223671,Cc1nc(C)c(CN2CCC(COc3ncc(-c4ccnc(N5CCN(C(=O)OC(C)(C)C)CC5)c4)cn3)CC2)s1,XIOGTRQMOYLOKW-UHFFFAOYSA-N
-rxn:4:218996:223669,Cc1noc(C)c1CN1CCC(COc2ncc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)nc3)cn2)CC1,OYPGXRFZIXJJOJ-UHFFFAOYSA-N
-rxn:4:219002:222948,Cn1cccc(C(=O)N2CCCC(COc3ncc(-c4cnc(N5CCC(O)CC5)nc4Cl)cn3)C2)c1=O,MBVVVYGAMYBNLU-UHFFFAOYSA-N
-rxn:4:219013:227310,CCC(C)c1ncc(-c2cncc([N+](=O)[O-])c2N2CCN(C(=O)OC(C)(C)C)C(C)C2)cc1Cl,BDBLMAOZKMGHII-UHFFFAOYSA-N
-rxn:4:219015:224669,COc1ccc(-c2ccc(CN3CCN(C)CC3)cc2F)c(C(=O)N2CCC(S(=O)(=O)c3nncn3C)CC2)c1,GCRVSMSCFWXDFC-UHFFFAOYSA-N
-rxn:4:219042:227564,COc1ccc(Cl)c(-c2cn(C)nc2CN2CCN(C(=O)OC(C)(C)C)CC2C)c1OC,YLRSCVNFKMXCBM-UHFFFAOYSA-N
-rxn:4:219051:226844,CN(c1cnc(-c2ccnc(C(=O)C(F)(F)F)c2)cn1)C1CCCN(C(=O)OC(C)(C)C)CC1,OHYPMKFTYIWRRF-UHFFFAOYSA-N
-rxn:4:219053:223063,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cncc(-c4cc(F)nc(C5CCNCC5)c4)c3)cn2)CC1,QPVXYFBEEAOBMO-UHFFFAOYSA-N
-rxn:4:219053:225319,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cncc(-c4cc(F)c(F)c(N5CCOCC5)c4)c3)cn2)CC1,HFZZFZJFOAOXPU-UHFFFAOYSA-N
-rxn:4:219061:225506,CC(C)Cn1ncc2cc(-c3cnc(OC4CCCN(C(=O)C5CCN(S(C)(=O)=O)CC5)C4)nc3)ccc21,YKHYODOYVQTPJP-UHFFFAOYSA-N
-rxn:4:219130:224193,CCN1CCN(Cc2cc(-c3ccc(C(=O)N4CCN(Cc5nc6cc(OC)ccc6[nH]5)CC4)o3)ccc2F)CC1,HSEXYNORBZOTQF-UHFFFAOYSA-N
-rxn:4:219142:223179,CONC(=O)c1cc(-c2cc(C#N)c3[nH]nc(C4CCN(C(=O)OC(C)(C)C)CC4)c3c2)ccc1F,YSPDDRUDPLHXJH-UHFFFAOYSA-N
-rxn:4:219175:223179,CONC(=O)c1cc(-c2ccc(-c3cc(C(F)(F)F)n4nc(C(=O)N(C)C5CCCCC5)cc4n3)cc2)ccc1F,BATMPLITQZOFMK-UHFFFAOYSA-N
-rxn:4:219175:226844,CN(C(=O)c1cc2nc(-c3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3)cc(C(F)(F)F)n2n1)C1CCCCC1,HNPGJHVLEKSKLC-UHFFFAOYSA-N
-rxn:4:219182:224579,COc1ccc(-c2cc(-n3cnc(C)c3)ccc2C2CC2)c(C(=O)N2CCN(C(=O)c3cc4n(n3)CCCC4)CC2)c1,PGWUHGPPEDFYTP-UHFFFAOYSA-N
-rxn:4:219225:223679,CCN1CCN(S(=O)(=O)c2c(C)cc(-c3ccc(C(=O)N4CC(Cn5cncn5)C4)o3)cc2C)CC1,AZJAPGMPOQLSCE-UHFFFAOYSA-N
-rxn:4:219251:223689,CCN1CCN(S(=O)(=O)c2cc(-c3ccccc3C(=O)N3CC(Cn4cncn4)C3)ccc2OC)CC1,UGUXXEGUARVNHN-UHFFFAOYSA-N
-rxn:4:219365:222447,COc1ccc2c(c1-c1cncc(C(=O)N3CCCC(Oc4ncc(F)cn4)C3)c1)N=C(NC(=O)OC(C)(C)C)C2,XAKNRCSMWIZEHL-UHFFFAOYSA-N
-rxn:4:219370:222896,CC(C)(C)OC(=O)NCc1ccc(-c2cnn(C3CCCN(C(=O)OC(C)(C)C)C3)n2)s1,QCULSBCDAKJTGJ-UHFFFAOYSA-N
-rxn:4:219388:222604,COc1ccc(-c2ccc(C(=O)N3CCCN(S(=O)(=O)c4c[nH]cn4)CC3)o2)cc1S(=O)(=O)NC1CCCC1,NSPNDSDZNDHZHI-UHFFFAOYSA-N
-rxn:4:219402:224759,CC(C)(C)OC(=O)N1CCN(c2cnc(-c3cc(F)cc(C(=O)N4CCOCC4)c3)cn2)CC1,OXYVYEDKFVJLMI-UHFFFAOYSA-N
-rxn:4:219414:223279,N#Cc1cc(-c2cnc(C3CCCN3)nc2)cnc1N1CCOC(C(=O)N2CCCC2)C1,TZOAJDFFUZXXCU-UHFFFAOYSA-N
-rxn:4:219433:224336,O=C(c1ccc(-c2ccc(N3CCCCC3)cc2C(F)(F)F)o1)N1CCN(c2ccc(C3CC3)nn2)CC1,KPBNVHAQQDJAHS-UHFFFAOYSA-N
-rxn:4:219436:224484,CC(C)N(C(=O)c1ccccc1-c1cnc(N2CCOC(C(=O)N3CCOCC3)C2)c(C#N)c1)C(C)C,ZAOMWOCFGNVROO-UHFFFAOYSA-N
-rxn:4:219451:223602,Cn1cc(-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2Cl)c(C(=O)N2CCCN(CC3CC3)CC2)n1,SSDGVODYSFQWFT-UHFFFAOYSA-N
-rxn:4:219462:223279,O=S(=O)(N1CCCC1)N1CCCC(Oc2ncc(-c3cnc(C4CCCN4)nc3)cn2)C1,HSGBRBQZVZEQQL-UHFFFAOYSA-N
-rxn:4:219462:225892,COc1cnc(C(OC)OC)cc1-c1cnc(OC2CCCN(S(=O)(=O)N3CCCC3)C2)nc1,RYUATKRFCOYXPT-UHFFFAOYSA-N
-rxn:4:219473:226844,COc1nc(N2CCOC(C(=O)N3CCCC3)C2)ncc1-c1ccnc(C(=O)C(F)(F)F)c1,CVNNLIKWHUYKHO-UHFFFAOYSA-N
-rxn:4:219497:226095,CCCCOc1cc(C)cc(-c2cnc(N3CCOC(C(=O)N4CCCCC4)C3)c(C#N)c2)c1,HOBMLXXAKMXOLD-UHFFFAOYSA-N
-rxn:4:219498:227262,CCCOc1cccc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)nc2OC)c1Cl,IELWUPFONKMOHX-UHFFFAOYSA-N
-rxn:4:219498:227480,CCCOc1nccc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)nc2OC)c1Cl,FVJJVAYEZIYKQU-UHFFFAOYSA-N
-rxn:4:219499:223279,N#Cc1cc(-c2cnc(C3CCCN3)nc2)cnc1N1CCCC(C(=O)N2CCOCC2)C1,XBZZAZCJNBEJQE-UHFFFAOYSA-N
-rxn:4:219500:227496,CCN(C)c1cc(F)c(-c2cnc(N3CCCC(C(=O)N4CCSCC4)C3)c(C#N)c2)cn1,YQODETZXZXMIFE-UHFFFAOYSA-N
-rxn:4:219530:223179,CONC(=O)c1cc(-c2cnc(OC3CCN(C4CCN(C5CC5)C4=O)CC3)nc2)ccc1F,QWFMICUZLOBCPY-UHFFFAOYSA-N
-rxn:4:219530:226039,CCc1nn(S(=O)(=O)N(C)C)cc1-c1cnc(OC2CCN(C3CCN(C4CC4)C3=O)CC2)nc1,DHVNRZWDZHNKEE-UHFFFAOYSA-N
-rxn:4:219531:223279,CSc1ncc(-c2cnc(C3CCCN3)nc2)c(N2CCOC(C(=O)N3CCCCC3)C2)n1,GPJFZJHVNUPEHD-UHFFFAOYSA-N
-rxn:4:219532:223179,CONC(=O)c1cc(-c2cnc(N3CCCC(C(=O)N4CCSCC4)C3)nc2OC)ccc1F,GTJGJEIFAGEZTD-UHFFFAOYSA-N
-rxn:4:219533:223279,CSc1ncc(-c2cnc(C3CCCN3)nc2)c(N2CCCC(C(=O)N3CCOCC3)C2)n1,JXYVFCDWQBQJIP-UHFFFAOYSA-N
-rxn:4:219533:224003,CSc1ncc(-c2cnc(Cl)c(-c3cccc(C(F)(F)F)c3)c2)c(N2CCCC(C(=O)N3CCOCC3)C2)n1,VWGSNRBZGGTSGF-UHFFFAOYSA-N
-rxn:4:219534:224377,CN1CCN(S(=O)(=O)c2ccc(-c3cncc(C(=O)N4CCC(n5nc(C6CC6)ccc5=O)CC4)c3)cc2)CC1,XKLOEJAEAJMVQV-UHFFFAOYSA-N
-rxn:4:219551:223179,CONC(=O)c1cc(-c2cnc(OC3CCN(C4CCN(C(C)C)C4=O)CC3)nc2)ccc1F,VLYRSDWXHGAJJE-UHFFFAOYSA-N
-rxn:4:219551:226844,CC(C)N1CCC(N2CCC(Oc3ncc(-c4ccnc(C(=O)C(F)(F)F)c4)cn3)CC2)C1=O,KKFJAJXREFDFBK-UHFFFAOYSA-N
-rxn:4:219552:223179,CONC(=O)c1cc(-c2cnc(N3CCC(C(=O)N4CCC(F)(F)CC4)CC3)nc2OC)ccc1F,KKBWRPKEEXVDDF-UHFFFAOYSA-N
-rxn:4:219552:223279,COc1nc(N2CCC(C(=O)N3CCC(F)(F)CC3)CC2)ncc1-c1cnc(C2CCCN2)nc1,XKNLQRCDBDNQBZ-UHFFFAOYSA-N
-rxn:4:219552:224558,COc1cccc(Oc2ccc(-c3cnc(N4CCC(C(=O)N5CCC(F)(F)CC5)CC4)nc3OC)cc2)c1,OCBLNPPEBLWUHW-UHFFFAOYSA-N
-rxn:4:219560:222957,Cc1cc(-c2ccccc2C(=O)N2CCCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)cc(C2CCCNC2)c1,IYEHKSDUCJWOIM-UHFFFAOYSA-N
-rxn:4:219562:223179,CONC(=O)c1cc(-c2cncc(C(=O)N3CCC(N4CC(=O)N(c5ccccc5)C4=O)CC3)c2)ccc1F,MJBKUGUUUFTPEY-UHFFFAOYSA-N
-rxn:4:219569:226122,COCc1ccc(C2CC2)c(-c2cc([N+](=O)[O-])c(OC)cc2N2CCC(N3CCN(C)CC3)CC2)c1,CIOKNUPGNIKFPX-UHFFFAOYSA-N
-rxn:4:219619:223535,COc1ccc(CN(C)S(=O)(=O)c2ccc(-c3cnc4c(c3)c(C(=O)N(C)OC)nn4C3CCCCO3)cc2F)cc1,ODKGQPFIYYDKOZ-UHFFFAOYSA-N
-rxn:4:219634:223640,CCOC12C(=O)c3cc(F)cc(-c4cnccc4OC4CCN(C(=O)c5cnc6ccccc6n5)C4)c3C(=O)C1C2(C)C,CTDSWBGCKFXJCS-UHFFFAOYSA-N
-rxn:4:219639:223587,COc1cc(COc2ccc(F)c(-c3ccc4nc(C5CCN(C(=O)OC(C)(C)C)C5)nn4c3)c2F)cc(OC)c1,KEVZYXAGHBYNDM-UHFFFAOYSA-N
-rxn:4:219653:225984,CC(C)(C)OC(=O)N1CCN(c2nc3ccc(-c4cnc(Cl)c(N5CCOCC5)c4)nc3s2)CC1,IDTOAYWGXBWQNV-UHFFFAOYSA-N
-rxn:4:219654:224398,Cc1cc(F)c(-c2cc3c(N4CCN(C(=O)OC(C)(C)C)CC4)ncnc3s2)cc1S(=O)(=O)N1CCCC1,VEYQSTJOWMMPOY-UHFFFAOYSA-N
-rxn:4:219678:223673,N#Cc1ccc(N2CC3CN(S(=O)(=O)c4ccccc4-c4cccc(COc5cc(C(F)(F)F)ccc5Cl)c4)CC3C2)nc1,LOWLVKSIEYMPSP-UHFFFAOYSA-N
-rxn:4:219706:223179,CONC(=O)c1cc(-c2cc3ncnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3cc2Cl)ccc1F,RFGZIUXNWFLDEX-UHFFFAOYSA-N
-rxn:4:219707:223179,CONC(=O)c1cc(-c2c(Cl)cc3c(N4CCN(C(=O)OC(C)(C)C)CC4)ncnc3c2F)ccc1F,APYSQMXSLUVQSJ-UHFFFAOYSA-N
-rxn:4:219710:226844,COc1cc(OC)cc(N2C(=O)C3N=NN(c4ccc(-c5ccnc(C(=O)C(F)(F)F)c5)c(C)c4)C3C2=O)c1,IZLUUSOZLJHAID-UHFFFAOYSA-N
-rxn:4:219743:223953,COCCN1CCN(c2cc(F)cc(-c3nc(C(=O)N4CCC(c5nc6ccccc6[nH]5)CC4)c(C(C)C)s3)c2)CC1,XMTRNYOZNZVJMK-UHFFFAOYSA-N
-rxn:4:219751:222446,COc1ccc(CNC(=O)c2ccc(F)c(-c3c(Cl)cc4c(N5CCN(C(=O)OC(C)(C)C)C[C@@H]5C)nc(F)nc4c3F)c2)cc1,RSBSTLMGPWXDOM-SFHVURJKSA-N
-rxn:4:219751:223179,CONC(=O)c1cc(-c2c(Cl)cc3c(N4CCN(C(=O)OC(C)(C)C)C[C@@H]4C)nc(F)nc3c2F)ccc1F,VJXMWNSOCNNHNX-ZDUSSCGKSA-N
-rxn:4:219751:226844,C[C@H]1CN(C(=O)OC(C)(C)C)CCN1c1nc(F)nc2c(F)c(-c3ccnc(C(=O)C(F)(F)F)c3)c(Cl)cc12,GKTWRTHVFVYKEG-LBPRGKRZSA-N
-rxn:4:219760:224834,CN(C)S(=O)(=O)n1cc(-c2cccc(Cn3nc4c(S(=O)(=O)N5CCCCCC5)cccn4c3=O)c2)c(C(F)(F)F)n1,LJSMFPHAHKZBMO-UHFFFAOYSA-N
-rxn:4:219764:223179,CONC(=O)c1cc(-c2c(Cl)cc3c(N4CC5CCC(C4)N5C(=O)OC(C)(C)C)nc(F)nc3c2F)ccc1F,PTNHHQFNXJMJHM-UHFFFAOYSA-N
-rxn:4:219766:223179,CONC(=O)c1cc(-c2cncc(C(=O)N3CCC(Cn4nc5c(cc4=O)CCCC5)CC3)c2)ccc1F,XWRWFRAAICXRLS-UHFFFAOYSA-N
-rxn:4:219769:225977,CC(C)N1CCN(C(=O)c2cc3n(n2)CC(c2ccc(-c4cc(Cl)cnc4N4CCOCC4)cc2)OC3)CC1,SVOURUIKHXDLJK-UHFFFAOYSA-N
-rxn:4:219779:223530,Cc1ccc(C2CC(c3ccc(-c4cc(F)ccc4CN4CCN(C(=O)OC(C)(C)C)CC4)cc3)=NN2c2nc(-c3ccccc3)c3cc(Cl)ccc3n2)cc1,UNJGDRIQWREJMF-UHFFFAOYSA-N
-rxn:4:219780:226844,CC(=O)N1CCc2c(c(N3CCCc4cc(-c5ccnc(C(=O)C(F)(F)F)c5)c(C(F)F)cc43)nn2C2CCOCC2)C1,VGLHPNBDROKIOC-UHFFFAOYSA-N
-rxn:4:219853:224197,CCN1CCN(Cc2ccc(-c3cnc(N4CCN(C(C)=O)CC4)c(C#N)c3)cc2F)CC1,FTOHLIYJXGKYEQ-UHFFFAOYSA-N
-rxn:4:219854:224485,CC(=O)N(C)C1CCN(c2ncc(-c3ccn([Si](C(C)C)(C(C)C)C(C)C)c3)cn2)C1,HMLMOGVCOIYXPD-UHFFFAOYSA-N
-rxn:4:219891:222698,CN1CCC(N2CC(Cn3cc(-c4ccc(C(=O)N5CCC(O)CC5)c(Cl)c4)cn3)C2)C1=O,DXHUIWPKYPFAEP-UHFFFAOYSA-N
-rxn:4:219902:225204,Cc1c(-c2cncc([N+](=O)[O-])c2N2CCN(C(C)C)CC2)cc(C(F)(F)F)cc1C1CC1,KCWVYKPZHBBTOX-UHFFFAOYSA-N
-rxn:4:219912:222523,CC(C)(C)NS(=O)(=O)c1ccc(-c2cccc(N3CCN(c4ccc(C#N)cn4)CC3)c2)c(C(F)(F)F)c1,IVTGMVBMKLWWPQ-UHFFFAOYSA-N
-rxn:4:219934:222462,CC(C)(C)OC(=O)Nc1nc2cc(F)c(-c3cnc(N4CCOC(C(=O)N5CCCC5)C4)nc3)c(F)c2s1,KMYFGDCXJXPRAG-UHFFFAOYSA-N
-rxn:4:219955:225093,CCCOc1c(Cl)cc(-c2cnc(N3CCOC(C(=O)N4CCSCC4)C3)nc2)cc1OCC,RCFRFZNUBLBSMD-UHFFFAOYSA-N
-rxn:4:219959:223093,CC(C)S(=O)(=O)Nc1cncc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)nc2)c1,YVYDBMYORMMVCQ-UHFFFAOYSA-N
-rxn:4:219975:224306,O=C(C1CN(c2ncc(-c3ccc(C(F)(F)F)cc3OC3CCCC3)cn2)CCO1)N1CCCCC1,NCGCHCLGZYFPSK-UHFFFAOYSA-N
-rxn:4:219988:222430,O=C(C1CCCN(c2ncc(-c3ccc(S(=O)(=O)Nc4ccc(OC(F)(F)F)cc4)cc3)cn2)C1)N1CCOCC1,ZFNBGTCMIULEDO-UHFFFAOYSA-N
-rxn:4:220132:222816,COc1ccc(-c2ccc3c(N4CC(C(=O)N5CCCC5)CC4=O)[nH]nc3c2)cc1S(=O)(=O)NC(C)C,QGVMFEMVJBFKSV-UHFFFAOYSA-N
-rxn:4:220146:223503,CC(C)(C)OC(=O)N1CCC(Oc2cc(F)c(-c3ccc(Cn4nc5n(c(=O)c4=O)CCN5c4ccc(F)cc4)cc3)c(F)c2)CC1,AQRISPVZMUJGNF-UHFFFAOYSA-N
-rxn:4:220149:225558,O=C(C1CC(=O)N(c2[nH]nc3cc(-c4ccccc4OCC4CCOC4)ccc23)C1)N1CCOCC1,KXLJRUDPYLMWFM-UHFFFAOYSA-N
-rxn:4:220159:223983,CCN1CCN(S(=O)(=O)c2ccccc2-c2ccc3nc(N4CCC(c5nnc(C6CC6)o5)CC4)sc3c2)CC1,OQTZQBAIXFNEBV-UHFFFAOYSA-N
-rxn:4:220222:225172,Cc1ccc(-c2cc(CN3CCOCC3)ccc2F)cc1C(=O)N1CCN(c2cc3c(nn2)CCC3)CC1,WWTPFMHKDGVJGW-UHFFFAOYSA-N
-rxn:4:220266:223179,CONC(=O)c1cc(-c2nc3c(=O)n(C)c(=O)n(C)c3n2CC(=O)C23CC4CC(CC(C4)C2)C3)ccc1F,XTOCLGYETACESN-UHFFFAOYSA-N
-rxn:4:220266:223279,Cn1c(=O)c2nc(-c3cnc(C4CCCN4)nc3)n(CC(=O)C34CC5CC(CC(C5)C3)C4)c2n(C)c1=O,WZKJSLIPEDIAJX-UHFFFAOYSA-N
-rxn:4:220413:223567,CC(C)Oc1ccc2c(c1)cc(-c1cnc(N3CCC(N(C)C)CC3)nc1)n2C(=O)OC(C)(C)C,YELMXXIWKXTUHH-UHFFFAOYSA-N
-rxn:4:221101:224756,COc1nn(C)cc1C(=O)N1CCCC(COc2ncc(-c3cc(F)ccc3C(=O)N3CCOCC3)cn2)C1,TUHMDFOIKIFHCN-UHFFFAOYSA-N
-rxn:4:221106:223539,COc1ccc(-c2cncc(C(=O)N3CCC(CN(C)c4nccnc4OC)CC3)c2)cc1S(=O)(=O)N1CCC2(CC1)OCCO2,CQFCFSYHKLJMRE-UHFFFAOYSA-N
-rxn:4:221108:223179,CONC(=O)c1cc(-c2cnc(OCC3CCN(C(=O)Cn4cnc(C)c(C)c4=O)CC3)nc2)ccc1F,PSUVGOVPJRBLCW-UHFFFAOYSA-N
-rxn:4:221110:222678,CN1CCN(CC#CCOC2CCN(c3ncc(-c4ccc(CNC(=O)OC(C)(C)C)c(F)c4)cn3)CC2)CC1,UJQFEJDBDKKZRA-UHFFFAOYSA-N
-rxn:4:221112:226501,CCOC(=O)c1cc(-c2ccc(OCC)c(S(=O)(=O)N3CCN(c4nc(C)cc(N(C)C)n4)CC3)c2)cnc1C,BLGDYNMZYZKZNM-UHFFFAOYSA-N
-rxn:4:221116:222537,CCOc1ccc(-c2cc(C3CCCC3)nc(C3CCCNC3)c2)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N3CCCCC3)n2)CC1,UFKROHOEHFKCCJ-UHFFFAOYSA-N
-rxn:4:221121:223239,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cncc(C6CCCN6)c5)ccc43)CC2)CC1,TXRSPWYBYWAUDO-UHFFFAOYSA-N
-rxn:4:221126:222505,CCOC(=O)C1CCCN(c2nc3c(S(=O)(=O)c4ccc(-c5cc(F)cc(C(=O)NCc6cccc(F)c6)c5)cc4)nnn3c3ccsc23)C1,HVHQRCMVCPQQEO-UHFFFAOYSA-N
-rxn:4:221147:224258,CC1CCCCN1C(=O)c1ccc(-c2cnc(OCC3CCCN(c4cc(C#N)ccn4)C3)nc2)c(Cl)c1,UQZWMTNIGOSBPH-UHFFFAOYSA-N
-rxn:4:221160:223567,Cc1nc(CN2CCCC(COc3ncc(-c4cc5cc(OC(C)C)ccc5n4C(=O)OC(C)(C)C)cn3)C2)no1,ROGSDICVMXRBNQ-UHFFFAOYSA-N
-rxn:4:221193:226844,CN1CCN(C(=O)N2CCCC(COc3ncc(-c4ccnc(C(=O)C(F)(F)F)c4)cn3)C2)CC1,HSUJISXPLRHKPH-UHFFFAOYSA-N
-rxn:4:221194:223953,COCCN1CCN(c2cc(F)cc(-c3cnc(OC4CCN(S(=O)(=O)c5cn(C)c(C(C)C)n5)CC4)nc3)c2)CC1,NNIMJVSMEOZVCO-UHFFFAOYSA-N
-rxn:4:221194:226844,CC(C)c1nc(S(=O)(=O)N2CCC(Oc3ncc(-c4ccnc(C(=O)C(F)(F)F)c4)cn3)CC2)cn1C,XIDVJAGQAMODAN-UHFFFAOYSA-N
-rxn:4:221230:224817,N#Cc1cc2c(nc1N1CCCC(COc3ncc(-c4ccccc4S(=O)(=O)N4CCOCC4)cn3)C1)CCC2,NOLOELHFIYKYKU-UHFFFAOYSA-N
-rxn:4:221232:225877,N#Cc1cc2c(nc1N1CCCC(COc3ncc(-c4ccc(Cl)cc4N4CCOCC4)cn3)C1)CCOC2,XXJPPBCUMXLAKO-UHFFFAOYSA-N
-rxn:4:221245:224650,Cc1nc2ccc(OCC3CCN(C(=O)c4cncc(-c5cc(F)ccc5OCC5CCOCC5)c4)CC3)nn2c1C,QIWCACHXNQVAGR-UHFFFAOYSA-N
-rxn:4:221247:223179,CONC(=O)c1cc(-c2ccc(-c3nc(SCC(=O)N4CCOCC4)c4c(=O)n(C)c(=O)n(C)c4n3)cc2)ccc1F,ICUAFURZVBLHJL-UHFFFAOYSA-N
-rxn:4:221264:224759,CCOCCn1c(=O)c2c(nc3n2CCCN3c2ccc(-c3cc(F)cc(C(=O)N4CCOCC4)c3)cc2)n(C)c1=O,VWFOXBNCGIMLFN-UHFFFAOYSA-N
-rxn:4:221269:226844,CCOC(=O)Cn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2)n(C)c1=O,KQTWDMVHTUZWFT-UHFFFAOYSA-N
-rxn:4:221367:223533,Cc1cnc(OCC2CCCN(c3ncc(-c4ccc(CN5CCN(C(=O)OC(C)(C)C)CC5)cc4F)cn3)C2)nc1,XGEIDPISZHHIGL-UHFFFAOYSA-N
-rxn:4:221395:223787,CN1CCN(CCCOc2ccc(-c3cnc(N4CCC(Cn5cnc(C6CC6)cc5=O)CC4)nc3)cc2F)CC1,SFERMJWKCMWTEJ-UHFFFAOYSA-N
-rxn:4:221401:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cccc(CN2CCN(c3nccc(N(C)C)n3)CC2)c1,CYIAJOZXZQHEDC-UHFFFAOYSA-N
-rxn:4:221414:225994,CCSc1ncc(C(F)(F)F)cc1-c1cncc(C(=O)N2CCCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)c1,AOALQIMWEDLLPM-UHFFFAOYSA-N
-rxn:4:221416:225276,CCCOc1cc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCCCC5)nn4)CC3)o2)ccc1C(F)(F)F,FCJIVYLVFUGQOT-UHFFFAOYSA-N
-rxn:4:221420:223045,CC(C)NC(=O)c1ccc(F)c(-c2ccccc2C(=O)N2CCN(c3ccc(N4CCOCC4)nn3)CC2)c1,SWVISSRZINGYFQ-UHFFFAOYSA-N
-rxn:4:221421:225743,COC(=O)Cc1ccc(OC)c(-c2cccc(C(=O)N3CCN(c4ccc(N5CCOCC5)nn4)CC3)c2)c1,QDPWFMVHFSTGBK-UHFFFAOYSA-N
-rxn:4:221427:222852,OC1CCN(Cc2cccc(-c3ccccc3CN3CCN(c4cc(N5CCOCC5)ncn4)CC3)c2)CC1,ITYCOWRMUVNBRR-UHFFFAOYSA-N
-rxn:4:221433:223693,Cc1cc(N2CCCC2)nc(N2CCN(C(=O)c3ccc(-c4cc(O[Si](C)(C)C(C)(C)C)cc(C(F)(F)F)c4F)cc3)CC2)n1,HQZONCMNRRSSBQ-UHFFFAOYSA-N
-rxn:4:221433:224322,Cc1cc(N2CCCC2)nc(N2CCN(C(=O)c3ccc(-c4ccc(S(=O)(=O)N5CCC(C)CC5)cc4)cc3)CC2)n1,KJXSYPWOPNPBLN-UHFFFAOYSA-N
-rxn:4:221440:225527,CCN(CC)C(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCCC5)n4)CC3)cc2)cc1,VMIOJCLRXAXLAA-UHFFFAOYSA-N
-rxn:4:221449:222848,CCc1cc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)cc(C2CCCNC2)n1,SETNMFOJSWPQOW-UHFFFAOYSA-N
-rxn:4:221449:223281,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C5(O)COC5)nc4)cc3)CC2)n1,DCHSBLSJNKUSHG-UHFFFAOYSA-N
-rxn:4:221456:222912,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(S(=O)(=O)NCC(C)C)cc4)cc3)CC2)n1,ZDQHOIOWMGHCAR-UHFFFAOYSA-N
-rxn:4:221456:223281,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C5(O)COC5)nc4)cc3)CC2)n1,NDSKUROOJVGGQI-UHFFFAOYSA-N
-rxn:4:221456:223294,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4csc(N5CCNCC5)n4)cc3)CC2)n1,RFTWLCHHQJXRGG-UHFFFAOYSA-N
-rxn:4:221456:223307,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc5c(c4)CCNC5)cc3)CC2)n1,QQOBJKSWEBGUSC-UHFFFAOYSA-N
-rxn:4:221456:223775,COc1ccc2c(c1)c(-c1ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc1)cn2C(=O)OC(C)(C)C,BHJYABPOSYRQKN-UHFFFAOYSA-N
-rxn:4:221498:223595,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3c[nH]c4ncnc(N5CCN(C(=O)OC(C)(C)C)CC5)c34)cc2F)CC1,KQZZPKYDHXZVKT-UHFFFAOYSA-N
-rxn:4:221528:224666,CC(C)c1sc(-c2ccc(F)c(CN3CCN(C)CC3)c2)nc1C(=O)N1CCN(c2nc3ccccc3n2C)CC1,UWWHTANYUJUYNV-UHFFFAOYSA-N
-rxn:4:221559:223658,COCCn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3ccc(S(=O)(=O)N4CCOCC4)c4ccccc34)cc2)n(C)c1=O,WFFUBLDKMSAJEA-UHFFFAOYSA-N
-rxn:4:221564:225270,CCCCn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3ccc(OCCC)c(C(F)(F)F)c3)cc2)n(C)c1=O,OCYGOIOKAYXHCI-UHFFFAOYSA-N
-rxn:4:221633:223840,COc1ccc(-c2cc(C(F)(F)F)cnc2N2CCN(c3nccc(C)n3)CC2)cc1S(=O)(=O)N1CCN(C)CC1,NJKHTLXABYCUFF-UHFFFAOYSA-N
-rxn:4:221642:225799,O=C1CN(C2CCN(c3ncc(-c4cncc(OC5CCOCC5)c4)cn3)CC2)C(=O)N1C1CC1,NDQZMVCCXPFBBW-UHFFFAOYSA-N
-rxn:4:221642:226729,O=C1CN(C2CCN(c3ncc(-c4cnc(OC5CCOC5)nc4)cn3)CC2)C(=O)N1C1CC1,WDRIBUFKCUOFRT-UHFFFAOYSA-N
-rxn:4:221729:223660,Cc1nc2ccccc2c(=O)n1CC1CCN(c2ncc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)s3)cn2)CC1,ABCXWGWXARNEHG-UHFFFAOYSA-N
-rxn:4:221731:223103,CC(C)(C)NS(=O)(=O)c1ccc(-c2cnc(N3CCC(Cn4nc5c(cc4=O)CCCC5)CC3)nc2)s1,ZENBMVVZJFIKEP-UHFFFAOYSA-N
-rxn:4:221736:223179,CONC(=O)c1cc(-c2cncc(C(=O)N3CC4CN(c5nc(C)nc6c5CCC6)CC4C3)c2)ccc1F,RKULWBUYFSNECZ-UHFFFAOYSA-N
-rxn:4:221742:223743,CCCn1c(=O)c2c(nc3n2CCCN3c2ccc(-c3ccc(C)c(OCCCN4CCC(C)CC4)c3)cc2)n(C)c1=O,ZIKKZACKPURWHV-UHFFFAOYSA-N
-rxn:4:221752:222584,CCCn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3ccc(OCCCN4CCNCC4)c(F)c3)cc2)n(C)c1=O,VKRBXYKTTPTKJQ-UHFFFAOYSA-N
-rxn:4:221926:226502,CCOc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5cccc(-c6ccn(C(=O)OC(C)(C)C)c6)c5)no4)C3C2=O)cc1,UGSGVPPVEPQOGO-UHFFFAOYSA-N
-rxn:4:221962:224735,CC(C)COc1cc(-c2cccc(C(=O)N3CCC(n4cc(-c5nc(C(C)C)no5)nn4)CC3)c2)ccc1C(F)(F)F,MDMJIIUWKIZXGT-UHFFFAOYSA-N
-rxn:4:221972:224280,CC(C)(C)OC(=O)N1CCc2sc(-c3cnc(OCC4CCCN(Cc5nnc6n5CCC6)C4)nc3)cc2C1,FLXMVVJUANSGNF-UHFFFAOYSA-N
-rxn:4:221980:223179,CONC(=O)c1cc(-c2cncc(-c3nn4c(=O)cc(N5CCN(C(=O)OC(C)(C)C)CC5)nc4s3)c2)ccc1F,WSTYKVRVFHZTSU-UHFFFAOYSA-N
-rxn:4:221981:223528,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5cccc(-c6ccc(F)c(CN7CCN(C(=O)OC(C)(C)C)CC7)c6)c5)no4)C3C2=O)cc1,LPJFDTPEEYIGIA-UHFFFAOYSA-N
-rxn:4:221985:223179,CONC(=O)c1cc(-c2cc3c(cn2)nc(-c2cnn(C)c2)n3[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)ccc1F,ZVSOCQBTMDJZNG-LJQANCHMSA-N
-rxn:4:221985:226844,Cn1cc(-c2nc3cnc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3n2[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cn1,XGYXLVDQYVPLSQ-GOSISDBHSA-N
-rxn:4:221999:223530,CN(c1ncc(-c2cc(F)ccc2CN2CCN(C(=O)OC(C)(C)C)CC2)cc1C#N)C1CN(c2cnccn2)C1,CWJVZONVWAQPIH-UHFFFAOYSA-N
-rxn:4:222053:223529,CCc1cc(N2CCN(c3ncc(-c4ccc(CN5CCN(C(=O)OC(C)(C)C)CC5)c(F)c4)cn3)CC2)nc(C(C)(C)C)n1,XOHZBOIOMVYNSY-UHFFFAOYSA-N
-rxn:4:222054:225563,CN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(F)ccc5COC(C)(C)C)o4)CC3)nn2)CC1,XHCQOQYHPUAFAS-UHFFFAOYSA-N
-rxn:4:222056:224770,Cc1cc(-c2cnc(N3CCN(c4cc(C(C)(C)C)nc(C5CC5)n4)CC3)nc2)cc(S(=O)(=O)N2CCCC2)c1,NVJUNAWGJQQAOA-UHFFFAOYSA-N
-rxn:4:222062:222978,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C(=O)NC5CCC5)cc4)cc3)CC2)n1,GXTXCPWUVVKTAN-UHFFFAOYSA-N
-rxn:4:222062:223046,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(F)c(C(=O)NC5CC5)c4)cc3)CC2)n1,ROWLUJZKCXYBEZ-UHFFFAOYSA-N
-rxn:4:222062:229197,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cnn(C(F)F)c4)cc3)CC2)n1,QUHVYIYJVGMAJF-UHFFFAOYSA-N
-rxn:4:222108:222889,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(F)cc(CN7CCNCC7)c6)cc5)no4)C3C2=O)cc1F,DRQJLHFKRLFGEJ-UHFFFAOYSA-N
-rxn:4:222153:223699,Cc1nc(C(F)F)cc(N2CCN(c3ncc(-c4ccc(S(=O)(=O)N5CCOCC5)cc4C(F)(F)F)cn3)CC2)n1,XJIDTANRGRTAFR-UHFFFAOYSA-N
-rxn:4:222156:223928,CC(C)(C)OC(=O)N1CCc2ncc(-c3cnc(N4CCN(c5ncnc(C6CC6)c5F)CC4)nc3)cc2C1,JXVDWVKLHAMJRL-UHFFFAOYSA-N
-rxn:4:222175:223592,Cn1c(N2CC(Cn3cc(-c4ccc(N5CCN(C(=O)OC(C)(C)C)CC5)cc4Cl)cn3)C2)nc2cccnc21,YHJPFSWAADHSKZ-UHFFFAOYSA-N
-rxn:4:222195:224810,CN1CCN(c2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2cccc(-c3cnc(N4CCCC4)c(C(F)(F)F)c3)c2)CC1,DEHSCVDSGMBQSW-UHFFFAOYSA-N
-rxn:4:222253:223897,COc1ccc(-c2ccc(C)c(OCCCN3CCOCC3)c2)c(C(=O)N2CCN(c3ccc(-n4cncn4)nn3)CC2)c1,SAZWMCXTCYNGGP-UHFFFAOYSA-N
-rxn:4:222316:223689,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(C(=O)N4CCN(c5ncnc6c5nnn6-c5ccc(F)cc5)CC4)cc3)ccc2OC)CC1,XRZTZVRMSYLGCN-UHFFFAOYSA-N
-rxn:4:222335:222839,Cc1cc(N2CCN(c3ncc(-c4ccc(NCC5CCCCC5)nc4)cn3)CC2)nc(N2CCCC2)n1,KKFMFPVLYCHFTH-UHFFFAOYSA-N
-rxn:4:222349:224394,Cc1ccc(-c2cncc(C(=O)N3CC4CN(c5ncnc6c5ncn6C)CC4C3)c2)cc1S(=O)(=O)N1CCOCC1,JTZKLXSOYNHOLJ-UHFFFAOYSA-N
-rxn:4:222389:207854,c1cc2c(cc1-c1cc(C3CCNCC3)nc(C3CCNCC3)c1)CCN2C1CCN(C2CCC2)CC1,FWICQTGTZJYSMG-UHFFFAOYSA-N
-rxn:4:222483:187554,Cc1ccc(NC(=O)c2ccc(F)c(-c3cccc(C(=O)N4CCC(S(=O)(=O)C(C)(C)C)C4)c3)c2)c(C)c1,LSTGMRPGHXAMKK-UHFFFAOYSA-N
-rxn:4:222513:214204,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1ccc(CN2CC(n3c(C4CC4)nc4ccccc43)C2)o1,GSPKPJYMIGPMJE-UHFFFAOYSA-N
-rxn:4:222522:218884,COc1ccc(-c2cncc(C(=O)N3CCCC(COc4ncccn4)C3)c2)cc1S(=O)(=O)N1CCC(O)CC1,BNDBKTZPAOFZKH-UHFFFAOYSA-N
-rxn:4:222580:204700,O=C(c1ccc(-c2ccc(S(=O)(=O)NC3CC3)c3ccccc23)o1)N1CC(N2C(=O)C3CC=CCC3C2=O)C1,MXQNBEWYDYPSLH-UHFFFAOYSA-N
-rxn:4:222623:178597,CCC(C)c1cc(-c2ccc(OC(=O)C3OC4OC(C)(C)OC4C4OC(C)(C)OC34)cc2)cc(C2CCNCC2)n1,FTWGGRAOFISKMJ-UHFFFAOYSA-N
-rxn:4:222821:194696,CC(C)(C)NS(=O)(=O)c1cc(-c2ccc3c(c2)CCCC3=NS(=O)C(C)(C)C)ccc1F,JHTOKQFQSQAFGC-UHFFFAOYSA-N
-rxn:4:222853:215300,OC1CCN(Cc2ccc(-c3ccc4c(c3)C3CC(c5ccco5)=NN3C3(CCN(Cc5ccccc5)CC3)O4)cc2)CC1,BBZHJJDJYCVNRB-UHFFFAOYSA-N
-rxn:4:222910:174656,CCCNS(=O)(=O)c1ccc(-c2cccc3cccc(C#C[Si](C(C)C)(C(C)C)C(C)C)c23)c(C)c1,ZHBLQFVFYPDDNY-UHFFFAOYSA-N
-rxn:4:222910:184181,CCCNS(=O)(=O)c1ccc(-c2ccc(CN(C(=O)OC(C)(C)C)C(C)C)c3ccccc23)c(C)c1,ZRJBNXKYJGZORU-UHFFFAOYSA-N
-rxn:4:222910:187201,CCCNS(=O)(=O)c1ccc(-c2ccc(C3CCN(C(=O)OC(C)(C)C)C3)o2)c(C)c1,AKQQQWBYQNXUPF-UHFFFAOYSA-N
-rxn:4:222941:215104,CONS(=O)(=O)c1c(C)cc(-c2ncn3c2CCN(C(=O)OC(C)(C)C)CC3)cc1C,YIYCRXVNKLRZRS-UHFFFAOYSA-N
-rxn:4:222950:185032,CONS(=O)(=O)c1cc(-c2ccc(OCC3CN(C(=O)C4CCC4)C3)cc2)ccc1OC,DSGKBQHEDZWLHM-UHFFFAOYSA-N
-rxn:4:223092:214805,CN(C)S(=O)(=O)Nc1cccc(-c2ccc(N3CCCN(S(=O)(=O)C4CC4)CC3)nc2)c1,HCSPGBFWQXQEAX-UHFFFAOYSA-N
-rxn:4:223570:174127,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc(OCC(=O)OC(C)(C)C)cc3)c(F)ncc21,JHOQNFWLXZSRLH-UHFFFAOYSA-N
-rxn:4:223761:178369,CC(C)c1cc(C(C)C)c(-c2ccc(C3CCCN3C(=O)OC(C)(C)C)cc2)c(C(C)C)c1,FCXAGESUIUHVMF-UHFFFAOYSA-N
-rxn:4:223840:206714,COc1ccc(-c2ccc(C3CCCN3S(C)(=O)=O)nc2)cc1S(=O)(=O)N1CCN(C)CC1,YTXLJPIJYVKLRM-UHFFFAOYSA-N
-rxn:4:223920:197975,CN(C(=O)c1ccc(-c2ccc3c(c2)CCCC3N2CCCCC2)c(Cl)c1)C1CCCCC1,SVQUKDCIFIWOQB-UHFFFAOYSA-N
-rxn:5:177180:222987:225926,CCOC(=O)c1c(C)cc(-c2ccc(C3CCNCC3)nc2C)cc1-c1ccc(S(=O)(=O)N2CCC2)cc1,BOIZCZZHSOGIHI-UHFFFAOYSA-N
-rxn:5:177181:225603:222405,CC(C)OC(=O)c1ccc(-c2cccc(C3(C#N)CCC3)c2F)c(-c2cccc(C3NC(=O)NC3=O)c2)c1,HJRRGVWDENJLSY-UHFFFAOYSA-N
-rxn:5:177184:222989:223062,CCOC(=O)c1c(-c2cnc(C3CCNCC3)cc2F)ccc(C)c1-c1ccc(N2CCNCC2)cc1C,PGXSHPWSJQENOI-UHFFFAOYSA-N
-rxn:5:177185:226583:223062,CC(C)OC(=O)c1cc(-c2ccc(CN3CCOCC3)s2)ccc1-c1cnc(C2CCNCC2)cc1F,JLBSHNLCQBESAI-UHFFFAOYSA-N
-rxn:5:177189:222989:223062,CCOC(=O)c1c(-c2ccc(N3CCNCC3)cc2C)ccc(C)c1-c1cnc(C2CCNCC2)cc1F,AHVZLVDFZPZCCL-UHFFFAOYSA-N
-rxn:5:177190:223054:225803,CCS(=O)(=O)Cc1ccc(-c2ccnc(OC3CCOCC3)c2)c(-c2ccc(C(C)N3CCC(O)C3)s2)c1,YOPAQUKTNXCSBB-UHFFFAOYSA-N
-rxn:5:177190:223054:226426,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCC(C)CC3)s2)c(-c2ccc(C(C)N3CCC(O)C3)s2)c1,IOYJBXJVZSMGBF-UHFFFAOYSA-N
-rxn:5:177190:223139:225805,CCS(=O)(=O)Cc1ccc(-c2ccc(C(C)N3CCOCC3)s2)c(-c2ccc(C3CCNCC3)nc2)c1,NPPUSMFKUQSKHB-UHFFFAOYSA-N
-rxn:5:177191:225602:223007,N#CC1(c2ccc(F)c(-c3cc(-c4cc(F)cc(C5CCNCC5)c4)ccc3CC(=O)C3CC3)c2)CCC1,FJASGOQSFHFQCD-UHFFFAOYSA-N
-rxn:5:177373:225805:225987,CC(c1ccc(-c2cc(-c3ccc(N4CCCS4(=O)=O)cc3)ccc2OCC2OCCO2)s1)N1CCOCC1,HQMZZLDCGMBSLN-UHFFFAOYSA-N
-rxn:5:177445:225982:226662,CC(C)=CCOc1ccc(-c2cnc(N3CCOCC3)cc2F)cc1-c1ccc(N2CCN(C)CC2)s1,WFBWQDVAYNXHFD-UHFFFAOYSA-N
-rxn:5:177730:223133:223054,CC(c1ccc(-c2ccc(-c3ccccc3N3CCNCC3)cc2C(=O)OC(C)(C)C)s1)N1CCC(O)C1,SIEBZVDLPSXREW-UHFFFAOYSA-N
-rxn:5:177730:225805:226679,CC(c1ccc(-c2ccc(-c3cnc(N4CCCC4)cc3F)c(C(=O)OC(C)(C)C)c2)s1)N1CCOCC1,IVYJIAXKHIWXTP-UHFFFAOYSA-N
-rxn:5:177731:223062:226330,CC(c1ccc(-c2ccc(C(=O)OC(C)(C)C)c(-c3cnc(C4CCNCC4)cc3F)c2)s1)N1CCCC1,MTYNOUMWAXMKTL-UHFFFAOYSA-N
-rxn:5:177731:225407:226062,CC(C)c1cc(-c2ccc(C(=O)OC(C)(C)C)c(-c3ccc(C4CCCCCC4)cc3)c2)cc(C(C)C)c1,FAEZNGNBEGVQQT-UHFFFAOYSA-N
-rxn:5:177731:225637:223294,CN1CCN(c2ccccc2-c2cc(-c3csc(N4CCNCC4)n3)ccc2C(=O)OC(C)(C)C)CC1,QHSHJSPJBDJWKJ-UHFFFAOYSA-N
-rxn:5:177731:225834:226794,CC(C)(C)OC(=O)c1ccc(-c2cnc(N3CCSCC3)nc2)cc1-c1cc(N2CCCCC2)ncc1F,PXDPYLSIMLJIAS-UHFFFAOYSA-N
-rxn:5:177731:225849:226794,CC(C)(C)OC(=O)c1ccc(-c2cnc(N3CCSCC3)nc2)cc1-c1cnc(N2CCCCC2)cc1F,GUPVUXMPBROUTH-UHFFFAOYSA-N
-rxn:5:177733:225498:223189,CC(C)(C)OC(=O)c1cc(-c2ccc(NS(C)(=O)=O)cc2F)cc(-c2cc(C3CCCCC3)ccc2F)c1,QGTVFBMJOAWOPP-UHFFFAOYSA-N
-rxn:5:177735:225515:226794,Cc1cc(C(=O)OC(C)C)cc(-c2cccc3c2OCC(C)(C)CO3)c1-c1cnc(N2CCSCC2)nc1,KURCNSVWIHOTCB-UHFFFAOYSA-N
-rxn:5:177737:225834:226794,CC(C)(C)OC(=O)c1cc(-c2cnc(N3CCSCC3)nc2)ccc1-c1cc(N2CCCCC2)ncc1F,RDGGZUZWGYPPBK-UHFFFAOYSA-N
-rxn:5:177737:225849:226794,CC(C)(C)OC(=O)c1cc(-c2cnc(N3CCSCC3)nc2)ccc1-c1cnc(N2CCCCC2)cc1F,VKRDFDNNPIVHOP-UHFFFAOYSA-N
-rxn:5:177739:223056:225976,CC(C)(C)OC(=O)c1cccc(-c2ccc(N3CCC(O)CC3)nc2)c1-c1ccnc(N2CCOCC2)c1F,UNSHUQWAJJKIGP-UHFFFAOYSA-N
-rxn:5:177739:226345:225601,COC(=O)c1cc(-c2cccc(C(=O)OC(C)(C)C)c2-c2ccc(C3(C#N)CCC3)cc2F)c(C)cc1C,NXIUFUKIHPYPHA-UHFFFAOYSA-N
-rxn:5:177850:225986:223242,CCOc1ccc(-c2ccccc2N2CCCS2(=O)=O)c(C2OCCO2)c1-c1ccnc(C2CCNC2)c1,GGKLDJDSKVYFPI-UHFFFAOYSA-N
-rxn:5:177891:225462:228504,CC1CCN(c2cccc(-c3ccccc3C(=O)SC3CS(=O)(=O)CC3c3cccc4c3CCC4)c2)CC1,LJYWAGDNQBRHRU-UHFFFAOYSA-N
-rxn:5:177891:225798:227992,O=C(SC1CS(=O)(=O)CC1c1ccc(C2COC2)cc1)c1ccccc1-c1ccc(OC2CCOCC2)nc1,ZNGXVAJCHDGZCU-UHFFFAOYSA-N
-rxn:5:177891:225798:228002,O=C(SC1CS(=O)(=O)CC1c1sccc1C1CCCC1)c1ccccc1-c1ccc(OC2CCOCC2)nc1,BJBKUKSYYLSAGQ-UHFFFAOYSA-N
-rxn:5:177891:225943:226685,O=C(SC1CS(=O)(=O)CC1c1cnc(C2CCOCC2)nc1)c1ccccc1-c1ccc(C(=O)N2CCOCC2)s1,PYLZBOLBQHKDMY-UHFFFAOYSA-N
-rxn:5:177891:226645:226426,CC1CCN(c2ccc(C3CS(=O)(=O)CC3SC(=O)c3ccccc3-c3ccnc(N4CCOCC4)c3)s2)CC1,HWTUVWGZKWWEOC-UHFFFAOYSA-N
-rxn:5:177891:227185:225805,CC(c1ccc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2ccc3c(c2)N(C)CCO3)s1)N1CCOCC1,IPEDZBFJLHFOML-UHFFFAOYSA-N
-rxn:5:177891:227379:227432,Cc1nc(C2COC2)ccc1C1CS(=O)(=O)CC1SC(=O)c1ccccc1-c1cccnc1N1CCCC1,WJPXPZRWAPSPHV-UHFFFAOYSA-N
-rxn:5:177891:227438:227448,O=C(SC1CS(=O)(=O)CC1c1ccc(C2COC2)c(F)c1)c1ccccc1-c1ccnc(C2CCOC2)c1,NGBHWWOSOWRFTQ-UHFFFAOYSA-N
-rxn:5:177891:227505:226177,O=C(SC1CS(=O)(=O)CC1c1ccnc(C2CCCCC2)c1)c1ccccc1-c1ccc(/C=C/[N+](=O)[O-])cc1,XHTOCVHPALCQAP-BMRADRMJSA-N
-rxn:5:177891:227654:226426,CC1CCN(c2ccc(C3CS(=O)(=O)CC3SC(=O)c3ccccc3-c3ccc(C4OCCO4)nc3)s2)CC1,UMVXFWSXCOQVHW-UHFFFAOYSA-N
-rxn:5:177891:227657:226645,O=C(SC1CS(=O)(=O)CC1c1ccnc(N2CCOCC2)c1)c1ccccc1-c1ccc(N2CCOCC2)s1,NHTHWAHZDRWMJQ-UHFFFAOYSA-N
-rxn:5:177891:227657:227958,O=C(SC1CS(=O)(=O)CC1c1ccnc(C2CCC2)c1)c1ccccc1-c1ccc(N2CCOCC2)s1,KEHCZOBDVKGODR-UHFFFAOYSA-N
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-rxn:5:177891:228211:226729,O=C(SC1CS(=O)(=O)CC1c1cnc(OC2CCOC2)nc1)c1ccccc1-c1cc(N2CCCC2)cs1,HUPHDXYYZLEPFQ-UHFFFAOYSA-N
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-rxn:5:178295:226064:229012,COC(=O)C1(c2cc(-c3sccc3C(C)C)ccc2-c2ccc(C3CCCCC3)cc2)CCC(=O)CC1,XVEFPJBPZNRWEO-UHFFFAOYSA-N
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-rxn:5:178295:226759:227922,CCc1cc(OC)ccc1-c1ccc(-c2cc(OC)cc(C(F)(F)F)c2)c(C2(C(=O)OC)CCC(=O)CC2)c1,SYHAFGHPVIIRIN-UHFFFAOYSA-N
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-rxn:5:178295:227569:227808,COC(=O)C1(c2cc(-c3ccc4c(c3)CCCC4)ccc2-c2c(OC)ccc(F)c2OC)CCC(=O)CC1,LFUFPSNXBTVNLU-UHFFFAOYSA-N
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-rxn:5:178295:228428:227535,CCOc1cc(F)c(F)cc1-c1ccc(-c2cc(OC)cc(F)c2F)c(C2(C(=O)OC)CCC(=O)CC2)c1,MGKFTWJPBDKQKE-UHFFFAOYSA-N
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-rxn:5:178295:228431:227540,COC(=O)C1(c2cc(-c3cc(SC)cc(F)c3OC)ccc2-c2cc(F)cc(F)c2SC)CCC(=O)CC1,CGLYBXDGXQGCOO-UHFFFAOYSA-N
-rxn:5:178295:228558:226058,CCSc1cccc(-c2ccc(-c3c(C(C)C)cccc3C(C)C)cc2C2(C(=O)OC)CCC(=O)CC2)c1,VMMQGWYCCODBOL-UHFFFAOYSA-N
-rxn:5:178295:228558:226752,CCSc1cccc(-c2ccc(-c3cccc(C(F)(F)F)c3OC)cc2C2(C(=O)OC)CCC(=O)CC2)c1,PSFTZHYRZKECJY-UHFFFAOYSA-N
-rxn:5:178295:228567:226915,CCC(C)c1sccc1-c1ccc(-c2ccc(C3CCCC3)cc2)cc1C1(C(=O)OC)CCC(=O)CC1,DTKHUFVHSBPZPW-UHFFFAOYSA-N
-rxn:5:178295:228696:226069,COCc1ccc(-c2ccc(-c3cccc(C4CCCCC4)c3)cc2C2(C(=O)OC)CCC(=O)CC2)cn1,HRNNOLZMOKEQAC-UHFFFAOYSA-N
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-rxn:5:178314:225498:226919,CC(C)(C)[Si](C)(C)Oc1cc(-c2cc(C3CCCCC3)ccc2F)ccc1-c1cccc(C2CCCC2)c1,JTVALPGJFVQLTE-UHFFFAOYSA-N
-rxn:5:178314:226918:225453,CC(C)(C)[Si](C)(C)Oc1cc(-c2ccc(C3=CCCC3)cc2)ccc1-c1cccc(SC2CCCCC2)c1,XTAKHHUBHRNYND-UHFFFAOYSA-N
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-rxn:5:178353:225833:226794,Cc1cc(OS(=O)(=O)c2cc(C)c(-c3ccnc(N4CCCCC4)c3F)cc2C)ccc1-c1cnc(N2CCSCC2)nc1,JQYYMBPIDACAJT-UHFFFAOYSA-N
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-rxn:5:178467:227779:223136,CCOC(=O)C1=Cc2cc(-c3ccncc3C3CCCNC3)cc(-c3cc([N+](=O)[O-])cc(F)c3F)c2OC1,MXDSKPNSFQHPRR-UHFFFAOYSA-N
-rxn:5:178467:227907:222981,CCOC(=O)C1=Cc2cc(-c3ccnc(NC4CCCCC4)c3)cc(-c3cncc(C(C)CC)c3)c2OC1,STUVPZRHSFVKDZ-UHFFFAOYSA-N
-rxn:5:178467:228099:225980,CCOC(=O)C1=Cc2cc(-c3cc(N4CCOCC4)ncc3F)cc(-c3cncc(N(C)CC)c3)c2OC1,OLIZUISPFJVAOE-UHFFFAOYSA-N
-rxn:5:178467:228321:225784,CCOC(=O)C1=Cc2cc(-c3ccc(CN4CCOCC4)nc3)cc(-c3cncc(C(=O)OC)c3)c2OC1,UYHHHHCXXWCOMO-UHFFFAOYSA-N
-rxn:5:178556:223141:225601,N#CC1(c2ccc(-c3ccc(-c4cncc(C5CCNCC5)c4)c(COc4ccc5c(c4)C(=O)CCC5)c3)c(F)c2)CCC1,ZVGARBGMGNYSNX-UHFFFAOYSA-N
-rxn:5:180022:223010:222960,COc1c(-c2cc(C)cc(C3CCNCC3)c2)ccc(-c2ccc(C3(O)CCOCC3)cc2)c1C1OCCO1,ZMVSBOVBESDTQU-UHFFFAOYSA-N
-rxn:5:180098:222404:225926,O=C1NC(=O)C(c2ccc(-c3ccc(-c4ccc(S(=O)(=O)N5CCC5)cc4)cc3OC3CCCC3)cc2)N1,FDTSIDAPBKDSCL-UHFFFAOYSA-N
-rxn:5:180297:225986:228211,COc1cc(-c2ccccc2N2CCCS2(=O)=O)c(C2(C)OCCO2)cc1-c1cc(N2CCCC2)cs1,IYXOJPOWAGSEIK-UHFFFAOYSA-N
-rxn:5:180297:226849:225799,COc1cc(-c2ccnc(OC)c2C(F)(F)F)c(C2(C)OCCO2)cc1-c1cncc(OC2CCOCC2)c1,FVEUTHBNRUBSAI-UHFFFAOYSA-N
-rxn:5:180506:225886:225438,CC(c1ccc(-c2c(-c3ccc4c(ccn4S(C)(=O)=O)c3)cc(C(C)(C)C)cc2C2OCCO2)cc1)N1CCCC1,GWOCLDXDQVMMAJ-UHFFFAOYSA-N
-rxn:5:180602:225833:225976,COC(=O)C1Cc2cc(-c3ccnc(N4CCOCC4)c3F)cc(-c3ccnc(N4CCCCC4)c3F)c2O1,FUQWNOSWWVMQJV-UHFFFAOYSA-N
-rxn:5:180602:226064:225674,COC(=O)C1Cc2cc(-c3cnc(C4CCCCC4)cc3F)cc(-c3ccc(C4CCCCC4)cc3)c2O1,NOJKOMAGCPOEEE-UHFFFAOYSA-N
-rxn:5:180602:226663:225976,COC(=O)C1Cc2cc(-c3ccnc(N4CCOCC4)c3F)cc(-c3ccc(N4CCSCC4)nc3)c2O1,DVQQXXJQYWLDCL-UHFFFAOYSA-N
-rxn:5:180662:223202:222983,COC(=O)C1=Cc2cc(-c3cccc(CN4CCC(O)C4)c3)cc(-c3ccc(C4(O)CCC4)cc3)c2OC1,WARAETQCNOGBSW-UHFFFAOYSA-N
-rxn:5:180662:223202:223002,COC(=O)C1=Cc2cc(-c3ccc(C4CCNCC4)cc3F)cc(-c3ccc(C4(O)CCC4)cc3)c2OC1,NTDJFJWOXBXQSH-UHFFFAOYSA-N
-rxn:5:180662:223202:223008,COC(=O)C1=Cc2cc(-c3cc(C4CCNCC4)ccc3F)cc(-c3ccc(C4(O)CCC4)cc3)c2OC1,LPXJXXHTMJTWEH-UHFFFAOYSA-N
-rxn:5:180662:223203:222980,COC(=O)C1=Cc2cc(-c3ccc(CN4CCNCC4)cc3)cc(-c3cccc(C4(O)CCC4)c3)c2OC1,IBJVEWDLHSFAAR-UHFFFAOYSA-N
-rxn:5:180662:223203:222984,COC(=O)C1=Cc2cc(-c3ccc(CN4CCC(O)C4)cc3)cc(-c3cccc(C4(O)CCC4)c3)c2OC1,HCIWNTOOPJLHAJ-UHFFFAOYSA-N
-rxn:5:180662:223239:222984,COC(=O)C1=Cc2cc(-c3ccc(CN4CCC(O)C4)cc3)cc(-c3cncc(C4CCCN4)c3)c2OC1,JARVDTGFIFBGKC-UHFFFAOYSA-N
-rxn:5:180662:223241:223008,COC(=O)C1=Cc2cc(-c3cc(C4CCNCC4)ccc3F)cc(-c3cncc(C4CCNC4)c3)c2OC1,FUCCEQYPHHQWDV-UHFFFAOYSA-N
-rxn:5:180662:223242:222984,COC(=O)C1=Cc2cc(-c3ccc(CN4CCC(O)C4)cc3)cc(-c3ccnc(C4CCNC4)c3)c2OC1,GRPRDJNWMIHRKK-UHFFFAOYSA-N
-rxn:5:180662:223242:223002,COC(=O)C1=Cc2cc(-c3ccc(C4CCNCC4)cc3F)cc(-c3ccnc(C4CCNC4)c3)c2OC1,AEKUSQICJYSFGG-UHFFFAOYSA-N
-rxn:5:180662:223285:225799,COC(=O)C1=Cc2cc(-c3cncc(OC4CCOCC4)c3)cc(-c3ccccc3NS(C)(=O)=O)c2OC1,LPKDRUNQKQMCHL-UHFFFAOYSA-N
-rxn:5:180662:223294:222989,COC(=O)C1=Cc2cc(-c3ccc(N4CCNCC4)cc3C)cc(-c3csc(N4CCNCC4)n3)c2OC1,YFEYHRSOXINYLG-UHFFFAOYSA-N
-rxn:5:180662:223294:222998,COC(=O)C1=Cc2cc(-c3cc(F)cc(C4CCCNC4)c3)cc(-c3csc(N4CCNCC4)n3)c2OC1,AVNITAWAOQIJGX-UHFFFAOYSA-N
-rxn:5:180662:223294:223002,COC(=O)C1=Cc2cc(-c3ccc(C4CCNCC4)cc3F)cc(-c3csc(N4CCNCC4)n3)c2OC1,IPYWTVVTHRYRFQ-UHFFFAOYSA-N
-rxn:5:180662:223294:223008,COC(=O)C1=Cc2cc(-c3cc(C4CCNCC4)ccc3F)cc(-c3csc(N4CCNCC4)n3)c2OC1,IBACHNTUFYCTBT-UHFFFAOYSA-N
-rxn:5:180662:223294:223064,COC(=O)C1=Cc2cc(-c3ccc(C4CCNCC4)nc3F)cc(-c3csc(N4CCNCC4)n3)c2OC1,VUIXDIHANFLUKG-UHFFFAOYSA-N
-rxn:5:180662:223294:223133,COC(=O)C1=Cc2cc(-c3ccccc3N3CCNCC3)cc(-c3csc(N4CCNCC4)n3)c2OC1,DJISBWKUJQROSS-UHFFFAOYSA-N
-rxn:5:180662:226366:226744,CCc1cc(-c2cc3c(c(-c4ccnc(N5CCCCC5)c4)c2)OCC(C(=O)OC)=C3)cnc1C(F)(F)F,YZDSAZMHHRYVLV-UHFFFAOYSA-N
-rxn:5:180662:226645:226744,CCc1cc(-c2cc3c(c(-c4ccnc(N5CCOCC5)c4)c2)OCC(C(=O)OC)=C3)cnc1C(F)(F)F,NJJCBESMEFDEKP-UHFFFAOYSA-N
-rxn:5:180662:226747:223056,CCc1ncc(-c2cc(-c3ccc(N4CCC(O)CC4)nc3)cc3c2OCC(C(=O)OC)=C3)cc1C(F)(F)F,CTERKRMIDAAFMJ-UHFFFAOYSA-N
-rxn:5:181624:225674:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2cnc(C3CCCCC3)cc2F)ccc1C1OCCO1,OVNCZJVINWRZDR-UHFFFAOYSA-N
-rxn:5:181624:225832:225514,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(C2OCCO2)c(-c2cccc3c2OCC2(CC2)CO3)c1,RXQXFMZFORWIDF-UHFFFAOYSA-N
-rxn:5:181625:225832:223056,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2ccc(N3CCC(O)CC3)nc2)cc1C1OCCO1,GZWUFFDOYODCEF-UHFFFAOYSA-N
-rxn:5:181626:225607:222956,Cc1ccc(-c2cccc(-c3ccc(C(C)N4CCCCC4)s3)c2C2OCCO2)c(C2CCCNC2)c1,NVXRRBHOOLDUGX-UHFFFAOYSA-N
-rxn:5:181628:225832:223001,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2cc(C3CCCNC3)ccc2F)c(C2OCCO2)c1,JCPMHYUNJSLHBR-UHFFFAOYSA-N
-rxn:5:181904:225407:222958,Cc1ccc(-c2c(-c3ccc(C4CCCCCC4)cc3)ccc(C3OCCO3)c2C)cc1C1CCNCC1,VVWSYFNRGXJDCZ-UHFFFAOYSA-N
-rxn:5:181905:223007:225683,Cc1ccc(-c2ccc(C3CCCOC3)nc2C)c(C2OCCO2)c1-c1cc(F)cc(C2CCNCC2)c1,ZZUWYPYQEXGKHE-UHFFFAOYSA-N
-rxn:5:181905:225607:223142,Cc1ccc(-c2ccc(C3CCCNC3)nc2)c(C2OCCO2)c1-c1ccc(C(C)N2CCCCC2)s1,OBQXKAYQEGJSKO-UHFFFAOYSA-N
-rxn:5:181906:225462:225639,Cc1ccc(-c2cccc(N3CCC(C)CC3)c2)c(C2OCCO2)c1-c1cccnc1N1CCC(C)CC1,IEOMGBXZOCHEGT-UHFFFAOYSA-N
-rxn:5:181906:225466:225462,Cc1ccc(-c2ccc(N3CCCCC3C)cc2)c(C2OCCO2)c1-c1cccc(N2CCC(C)CC2)c1,PKPFHWPXFUDIFZ-UHFFFAOYSA-N
-rxn:5:181906:225607:226452,Cc1ccc(-c2ccc(C(C)N3CCCCC3)s2)c(C2OCCO2)c1-c1ccc(C2OCCCO2)cc1,ZNTYJAPRYPVYQN-UHFFFAOYSA-N
-rxn:5:181907:225607:226174,Cc1cc(-c2ccc(C(C)N3CCCCC3)s2)c(-c2ccc(C3CCCCC3)nc2)c(C2OCCO2)c1,KIPKSLAIWIZYKS-UHFFFAOYSA-N
-rxn:5:181907:226185:225832,Cc1cc(-c2ccc(C3CCOCC3)cc2)c(-c2c(C)nn(C3CCCCO3)c2C)c(C2OCCO2)c1,HZWUWXTWXNSXBI-UHFFFAOYSA-N
-rxn:5:181907:226652:222998,Cc1cc(-c2cc(C)nn2C2CCCCO2)c(-c2cc(F)cc(C3CCCNC3)c2)c(C2OCCO2)c1,BJKXAIVLDSEGBN-UHFFFAOYSA-N
-rxn:5:181907:226652:225462,Cc1cc(-c2cc(C)nn2C2CCCCO2)c(-c2cccc(N3CCC(C)CC3)c2)c(C2OCCO2)c1,FTEQRQAUUTUTAN-UHFFFAOYSA-N
-rxn:5:181908:222956:226427,Cc1ccc(-c2cc(C)c(C3OCCO3)cc2-c2cc(N3CCC(C)CC3)cs2)c(C2CCCNC2)c1,BLZMCBSAMVFLSO-UHFFFAOYSA-N
-rxn:5:181908:223056:225633,Cc1cc(-c2ccc(N3CCC(O)CC3)nc2)c(-c2ccc(N3CCCCCC3)nc2)cc1C1OCCO1,SBZPTWCMSPFJMO-UHFFFAOYSA-N
-rxn:5:181908:225462:225655,Cc1cc(-c2cccc(N3CCC(C)CC3)c2)c(-c2cncc(N3CCC(C)CC3)c2)cc1C1OCCO1,YJHHKGHXBBSMAM-UHFFFAOYSA-N
-rxn:5:181908:225472:226686,Cc1cc(-c2cccc(N3CCCCC3C)c2)c(-c2c(C)cnn2C2CCCCO2)cc1C1OCCO1,KWLJDOYPSUITMZ-UHFFFAOYSA-N
-rxn:5:181908:225514:225439,Cc1cc(-c2cccc3c2OCC2(CC2)CO3)c(-c2cccc(C(C)N3CCCC3)c2)cc1C1OCCO1,BYAGJZSDZMXMDG-UHFFFAOYSA-N
-rxn:5:181908:225656:225633,Cc1cc(-c2cncc(N3CCCCC3C)c2)c(-c2ccc(N3CCCCCC3)nc2)cc1C1OCCO1,GOFNQAMYNQHPAL-UHFFFAOYSA-N
-rxn:5:181908:226427:222956,Cc1ccc(-c2cc(C3OCCO3)c(C)cc2-c2cc(N3CCC(C)CC3)cs2)c(C2CCCNC2)c1,VUDLYJFRCJWXOF-UHFFFAOYSA-N
-rxn:5:182009:226190:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2ccc(C3CCCC3)cc2F)c(C2CCOCC2)c1,UJVPFZRDRRLHEH-UHFFFAOYSA-N
-rxn:5:182010:226424:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(C2CCOCC2)c(-c2cc(N3CCCC(C)C3)cs2)c1,LPXMFAQFBLLFDB-UHFFFAOYSA-N
-rxn:5:182012:222958:225655,Cc1ccc(-c2ccc(-c3cncc(N4CCC(C)CC4)c3)c(C3CCCOC3)c2)cc1C1CCNCC1,YBCONXHHMBOMKV-UHFFFAOYSA-N
-rxn:5:182012:222958:226428,Cc1ccc(-c2ccc(-c3cc(N4CCCCC4C)cs3)c(C3CCCOC3)c2)cc1C1CCNCC1,HXNRJWRLUZFRRG-UHFFFAOYSA-N
-rxn:5:182012:222960:225633,Cc1cc(-c2ccc(-c3ccc(N4CCCCCC4)nc3)c(C3CCCOC3)c2)cc(C2CCNCC2)c1,QIQGIIXQTZNNFL-UHFFFAOYSA-N
-rxn:5:182012:225684:222960,Cc1cc(-c2ccc(-c3ccc(C4CCOCC4)nc3C)cc2C2CCCOC2)cc(C2CCNCC2)c1,XKUCVFTXOHNGAB-UHFFFAOYSA-N
-rxn:5:182013:225656:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(-c2cncc(N3CCCCC3C)c2)cc1C1CCOCC1,HIEAQIQHOIJYCB-UHFFFAOYSA-N
-rxn:5:182013:225832:223146,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2cccc(C3CNCCO3)c2)c(C2CCOCC2)c1,CLXJAMQNMIECID-UHFFFAOYSA-N
-rxn:5:183189:225832:222998,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2cc(F)cc(C3CCCNC3)c2)cc2c1OC(C)(C)OC2,FIVDTEVJJKIJPF-UHFFFAOYSA-N
-rxn:5:183189:225832:226191,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2cc(C3CCCC3)ccc2F)cc2c1OC(C)(C)OC2,XSSPKOKXBOBPQR-UHFFFAOYSA-N
-rxn:5:183228:223147:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2ccc(C3CNCCO3)cc2)cc2c1OC(C)(C)CC2,CJLRHHJCUPBNET-UHFFFAOYSA-N
-rxn:5:183228:225499:225453,CC1(C)CCc2cc(-c3ccc(C4CCCCC4)cc3F)cc(-c3cccc(SC4CCCCC4)c3)c2O1,JOZKQZFEJDWYCL-UHFFFAOYSA-N
-rxn:5:188632:225816:225806,COC(=O)c1nc(OC)c(-c2cc(C3CC3)ccc2C(F)(F)F)cc1-c1cnc(OC2CCCC2)cc1F,OSZRLELPNWAAPX-UHFFFAOYSA-N
-rxn:5:188787:226036:226042,COc1c(F)cc(C(F)(F)F)cc1-c1cc([N+](=O)[O-])c(OC2CC2)cc1-c1ccc([N+](=O)[O-])cc1C(F)(F)F,MDMFBFSQALKQIL-UHFFFAOYSA-N
-rxn:5:188867:225849:226662,CC(C)OC(=O)c1cc(-c2ccc(N3CCN(C)CC3)s2)ncc1-c1cnc(N2CCCCC2)cc1F,JJOYICYGZOTRSR-UHFFFAOYSA-N
-rxn:5:188868:225980:226661,CC(C)OC(=O)c1ccnc(-c2cc(N3CCN(C)CC3)cs2)c1-c1cc(N2CCOCC2)ncc1F,CNQGYWNMADPBPY-UHFFFAOYSA-N
-rxn:5:188930:222994:227515,COC(=O)c1cc(S(N)(=O)=O)c(-c2cccc(N3CCC(O)CC3)c2)cc1-c1cc(OC(C)C)cnc1F,FYVKOEINOJABLL-UHFFFAOYSA-N
-rxn:5:188932:223138:223148,COC(=O)c1cc(-c2ccnc(C3CCNCC3)c2)c(S(N)(=O)=O)c(-c2ccccc2C2CNCCO2)c1,OXTGFSSZOQHDPP-UHFFFAOYSA-N
-rxn:5:189209:225888:226857,Cc1nc2cc(-c3cc(C(=O)ON4C(=O)CCC4=O)cc(-c4cc(OC(F)(F)F)ccc4F)c3)c(F)c(F)c2n1C,LNYPPNCBHORDIZ-UHFFFAOYSA-N
-rxn:5:189323:225679:223294,CC(C)(C)OC(=O)c1cc(-c2csc(N3CCNCC3)n2)ncc1-c1ccc(N2CCCCC2)cc1F,DZOXMBULXGVTQB-UHFFFAOYSA-N
-rxn:5:189323:225833:223294,CC(C)(C)OC(=O)c1cc(-c2csc(N3CCNCC3)n2)ncc1-c1ccnc(N2CCCCC2)c1F,OZMMGFVMILASHY-UHFFFAOYSA-N
-rxn:5:189323:225833:226663,CC(C)(C)OC(=O)c1cc(-c2ccc(N3CCSCC3)nc2)ncc1-c1ccnc(N2CCCCC2)c1F,WDMNCDPMFLLRMS-UHFFFAOYSA-N
-rxn:5:189334:222983:222958,Cc1ccc(-c2cc(-c3cccc(CN4CCC(O)C4)c3)cnc2C(=O)OC(C)(C)C)cc1C1CCNCC1,RFTWNKRSEPRGBT-UHFFFAOYSA-N
-rxn:5:189448:226663:226679,COC1CN(C(=O)c2ccc(-c3ccc(N4CCSCC4)nc3)c(-c3cnc(N4CCCC4)cc3F)c2)C1,IZLCYMOQONGCRT-UHFFFAOYSA-N
-rxn:5:189538:225450:226068,Cc1cc(C(C)(C)C)cc(C)c1-c1cc(C(=O)N(C)C(C)C)ccc1-c1ccc(C(=O)C2CCCC2)cc1,HHZYXNUXVZMZPI-UHFFFAOYSA-N
-rxn:5:189539:227390:225451,CC(C)N(C)C(=O)c1cccc(-c2ccnn2C2CCCCC2)c1-c1ccc(SC2CCCCC2)cc1,JNYBUNCDCBWHHU-UHFFFAOYSA-N
-rxn:5:189662:226662:227291,CN(C)Cc1ccc(-c2ncc(-c3ccc(N4CCN(C)CC4)s3)cc2OCC2CCOCC2)cc1F,FMCSSQWZUKKGEY-UHFFFAOYSA-N
-rxn:5:189662:227297:226330,CC(c1ccc(-c2ncc(-c3cc(CN(C)C)ccc3F)cc2OCC2CCOCC2)s1)N1CCCC1,HMZZHKPSTRJSAN-UHFFFAOYSA-N
-rxn:5:189664:225449:227052,CC(C)(C)Sc1ccc(-c2cc(-c3cccc(OC4CCCCC4)c3)ccc2CC(=O)N2CCCC2)cc1,OIFMEUAGZFOTCN-UHFFFAOYSA-N
-rxn:5:189668:225435:227592,COc1cc(F)cc(-c2ccc(CC(=O)N3CCCC3)c(-c3ccccc3CN3CCCCC3)c2)c1OC,RMRMVHDZJQHSFO-UHFFFAOYSA-N
-rxn:5:189669:226069:226190,CC(C)(C)S(=O)/N=C/c1ccc(-c2cccc(C3CCCCC3)c2)c(-c2ccc(C3CCCC3)cc2F)c1,UXPLRQYQHGKWDP-GOJREDGKSA-N
-rxn:5:189670:226067:226067,CC(C)(C)S(=O)/N=C/c1cc(-c2ccc(C3=CCCCC3)cc2)ccc1-c1ccc(C2=CCCCC2)cc1,CPFHNVSLLVDTAP-YRRMYEEHSA-N
-rxn:5:189672:226069:226067,CC(C)(C)S(=O)/N=C/c1cccc(-c2cccc(C3CCCCC3)c2)c1-c1ccc(C2=CCCCC2)cc1,VAGBXDJOZSHEGD-YRRMYEEHSA-N
-rxn:5:189675:226064:226150,CC(C)(C)S(=O)/N=C/c1cc(-c2cccc(SC3CCCC3)c2)ccc1-c1ccc(C2CCCCC2)cc1,NVMMUMGPIVDTBB-JWHWKPFMSA-N
-rxn:5:189676:226085:223002,CC1(C)CCc2cc(-c3cc(CC(=O)N4CCCC4)ccc3-c3ccc(C4CCNCC4)cc3F)ccc2O1,DUBXAQZCEBBHCX-UHFFFAOYSA-N
-rxn:5:189777:226741:225438,CC(c1ccc(-c2ccc(CCN3CCCC3)c(-c3cc(C(F)(F)F)ccc3C#N)c2)cc1)N1CCCC1,KVKRXZVZFAXLMA-UHFFFAOYSA-N
-rxn:5:189826:223294:227413,O=C(Cc1ccc(-c2cnc(C3CCC3)cc2F)cc1-c1csc(N2CCNCC2)n1)N1CCOCC1,GBAXKVQJUGUGCQ-UHFFFAOYSA-N
-rxn:5:189826:227701:223294,COC(=O)c1cc(-c2cc(-c3csc(N4CCNCC4)n3)ccc2CC(=O)N2CCOCC2)c(F)cn1,YSVVNQUEEOBRGV-UHFFFAOYSA-N
-rxn:5:189829:226064:227071,COCc1cc(C)c(-c2cc(C(=O)N3CCCC3)cc(-c3ccc(C4CCCCC4)cc3)c2OC)c(C)c1,KCKBJTGMRNOLHM-UHFFFAOYSA-N
-rxn:5:189829:226150:227587,COc1cc(-c2cc(C(=O)N3CCCC3)cc(-c3cccc(SC4CCCC4)c3)c2OC)cc(F)c1OC,QSANSNJBZPPNQC-UHFFFAOYSA-N
-rxn:5:189910:225439:223285,CC(c1cccc(-c2ccc(-c3ccccc3NS(C)(=O)=O)c(CCN3CCOCC3)c2)c1)N1CCCC1,YPFHTDRCXGRRQN-UHFFFAOYSA-N
-rxn:5:189952:227316:223006,COc1c(-c2cc(F)nc(CC(C)C)c2)cc(C(=O)N2CCOCC2)cc1-c1ccc(F)c(C2CCNCC2)c1,WLNABDCJAMKKMO-UHFFFAOYSA-N
-rxn:5:190000:225466:225886,CC1CCCCN1c1ccc(-c2cc(-c3ccc4c(ccn4S(C)(=O)=O)c3)ccc2CC(=O)N2CCCCC2)cc1,MWEICZSWNSAEDJ-UHFFFAOYSA-N
-rxn:5:190000:226596:227667,CC(=O)c1ccc(F)c(-c2ccc(CC(=O)N3CCCCC3)c(-c3ccc(F)c(OC(C)C)c3F)c2)c1F,YBFUJBACBJVVHV-UHFFFAOYSA-N
-rxn:5:190001:223286:226762,CSc1cc(-c2ccc(CC(=O)N3CCCCC3)cc2-c2cccc(NS(C)(=O)=O)c2)cc(C(F)(F)F)c1,LTSHQAUWWHKLNL-UHFFFAOYSA-N
-rxn:5:190001:225394:227052,CC(C)(C)Sc1ccc(-c2ccc(CC(=O)N3CCCCC3)cc2-c2cc(C3CCC3)cc(C3CC3)c2)cc1,LMDFJGJQNWJJBA-UHFFFAOYSA-N
-rxn:5:190001:225394:228005,CSc1cc(C)c(-c2ccc(CC(=O)N3CCCCC3)cc2-c2cc(C3CCC3)cc(C3CC3)c2)cc1C,YVRJFTSMBRQOOR-UHFFFAOYSA-N
-rxn:5:190001:225451:227019,CC(C)(C#N)c1cccc(-c2ccc(CC(=O)N3CCCCC3)cc2-c2ccc(SC3CCCCC3)cc2)c1,UWGMKSBDWCPYOS-UHFFFAOYSA-N
-rxn:5:190001:225453:227935,CCc1cc(-c2ccc(CC(=O)N3CCCCC3)cc2-c2cccc(SC3CCCCC3)c2)ccc1OC,LNMZQKZUNIJUHM-UHFFFAOYSA-N
-rxn:5:190001:227052:226069,CC(C)(C)Sc1ccc(-c2cc(CC(=O)N3CCCCC3)ccc2-c2cccc(C3CCCCC3)c2)cc1,YEVRUCODUUSFST-UHFFFAOYSA-N
-rxn:5:190127:223294:227907,CCC(C)c1cncc(-c2ccc(-c3csc(N4CCNCC4)n3)cc2C(=O)N2CCC(OC)CC2)c1,BMEUNIGLBYWNDI-UHFFFAOYSA-N
-rxn:5:190127:225498:227940,CCc1cc(SC)cc(-c2ccc(-c3cc(C4CCCCC4)ccc3F)cc2C(=O)N2CCC(OC)CC2)c1,TZXRWVDDZJSOKS-UHFFFAOYSA-N
-rxn:5:190127:227917:226150,CCc1ccc(OC)c(-c2ccc(-c3cccc(SC4CCCC4)c3)c(C(=O)N3CCC(OC)CC3)c2)c1,OPORXYVJTMUQTB-UHFFFAOYSA-N
-rxn:5:190128:223112:225976,COC1CCN(C(=O)c2ccc(-c3c(C(C)C)ccc4[nH]ncc34)c(-c3ccnc(N4CCOCC4)c3F)c2)CC1,GIFPNGLECXUCKG-UHFFFAOYSA-N
-rxn:5:190128:223294:225872,COC1CCN(C(=O)c2ccc(-c3csc(N4CCNCC4)n3)c(-c3cc(F)c(F)c(N4CCCC4)c3)c2)CC1,YYKVWTQGDQBCNH-UHFFFAOYSA-N
-rxn:5:190128:223294:227907,CCC(C)c1cncc(-c2cc(C(=O)N3CCC(OC)CC3)ccc2-c2csc(N3CCNCC3)n2)c1,POPNYGHXAUKKCV-UHFFFAOYSA-N
-rxn:5:190128:226146:227922,CCc1cc(OC)ccc1-c1cc(C(=O)N2CCC(OC)CC2)ccc1-c1ccc(SC2CCCC2)cc1,JDKWHXPGUGTEBT-UHFFFAOYSA-N
-rxn:5:190128:226411:228219,COC1CCN(C(=O)c2ccc(-c3ccc(N4CCOCC4)cc3)c(-c3cnc(C(C)C)cc3F)c2)CC1,FMRATBOPBFNUGY-UHFFFAOYSA-N
-rxn:5:190128:227057:227047,COc1cccc(-c2ccc(C(=O)N3CCC(OC)CC3)cc2-c2cccc(SC3CCC3)c2)c1C1CC1,PYBFXHUBFQYUQQ-UHFFFAOYSA-N
-rxn:5:190128:227907:223294,CCC(C)c1cncc(-c2ccc(C(=O)N3CCC(OC)CC3)cc2-c2csc(N3CCNCC3)n2)c1,QVADEQAJUPTNEJ-UHFFFAOYSA-N
-rxn:5:190132:223294:227907,CCC(C)c1cncc(-c2cc(-c3csc(N4CCNCC4)n3)ccc2C(=O)N2CCC(OC)CC2)c1,KAJPYYUNRFNOFS-UHFFFAOYSA-N
-rxn:5:190177:226062:223189,CC(C)c1cc(-c2ccc(N3C(=O)CC(Sc4ccc(-c5ccc(NS(C)(=O)=O)cc5F)cc4)C3=O)cc2)cc(C(C)C)c1,WXFLTBJATIGULV-UHFFFAOYSA-N
-rxn:5:190194:226067:227561,COc1cc(F)c(-c2c(CN3CCC(OC)CC3)cccc2-c2ccc(C3=CCCCC3)cc2)cc1OC,WTMZFVOXJSEMKC-UHFFFAOYSA-N
-rxn:5:190195:227684:223113,CN(Cc1ccc(-c2cnn(CC3OCCO3)c2)c(-c2ccc3c(c2)C(C)(C)C(=O)N3)c1)C1CCOCC1,HVSXSFDWUCQSDI-UHFFFAOYSA-N
-rxn:5:190195:227875:225823,CC(C)c1cc(-c2cc(CN(C)C3CCOCC3)ccc2-c2cccc3c2CCCO3)cc(C(F)(F)F)c1,XASUAQFIIZWNKQ-UHFFFAOYSA-N
-rxn:5:190196:223065:223113,CN(Cc1ccc(-c2ccc(N3CCNCC3)cc2F)cc1-c1ccc2c(c1)C(C)(C)C(=O)N2)C1CCOCC1,LBEZXDCTFSTUPK-UHFFFAOYSA-N
-rxn:5:190196:227506:226665,CN(Cc1ccc(-c2cccc(/C=C/[N+](=O)[O-])c2)cc1-c1cnc(C2CCCOC2)nc1)C1CCOCC1,VBSQTIHFTKFXLZ-FMIVXFBMSA-N
-rxn:5:190197:223065:223113,CN(Cc1ccc(-c2ccc3c(c2)C(C)(C)C(=O)N3)cc1-c1ccc(N2CCNCC2)cc1F)C1CCOCC1,NNYOEOVOWZCQGG-UHFFFAOYSA-N
-rxn:5:190197:223113:223062,CN(Cc1ccc(-c2cnc(C3CCNCC3)cc2F)cc1-c1ccc2c(c1)C(C)(C)C(=O)N2)C1CCOCC1,ICNNIRDASQVLQN-UHFFFAOYSA-N
-rxn:5:190199:222417:223062,CC(C)c1[nH]c(=O)ncc1-c1ccc(-c2cnc(C3CCNCC3)cc2F)cc1CN(C)C1CCOCC1,GDOBPNWMLOLSAT-UHFFFAOYSA-N
-rxn:5:190199:225976:222417,CC(C)c1[nH]c(=O)ncc1-c1ccc(-c2ccnc(N3CCOCC3)c2F)c(CN(C)C2CCOCC2)c1,BKQMCUOBVRSUHF-UHFFFAOYSA-N
-rxn:5:190200:222417:226686,Cc1cnn(C2CCCCO2)c1-c1cc(CN(C)C2CCOCC2)cc(-c2cnc(=O)[nH]c2C(C)C)c1,KRUOUQTUOGNRLI-UHFFFAOYSA-N
-rxn:5:190231:225576:228711,COc1c(-c2ccc(N3CCCC3)c(C#N)c2)cc(C(=O)N2CCOC(C)C2)cc1-c1cc(C)cnc1C#N,ICCIPLGHKAFIAU-UHFFFAOYSA-N
-rxn:5:190231:225833:227960,COc1c(-c2ccncc2C2CCC2)cc(C(=O)N2CCOC(C)C2)cc1-c1ccnc(N2CCCCC2)c1F,LVLRJAMLAAVVSY-UHFFFAOYSA-N
-rxn:5:190264:225407:228624,CSc1cc(-c2ccc(CC(=O)N3CCC(C)CC3)cc2-c2ccc(C3CCCCCC3)cc2)ccc1C,SYLJNGDHXRPADI-UHFFFAOYSA-N
-rxn:5:190264:226762:225886,CSc1cc(-c2cc(CC(=O)N3CCC(C)CC3)ccc2-c2ccc3c(ccn3S(C)(=O)=O)c2)cc(C(F)(F)F)c1,WFEVRJKEFQWPKA-UHFFFAOYSA-N
-rxn:5:190265:227052:227047,CC1CCCN(C(=O)Cc2ccc(-c3cccc(SC4CCC4)c3)c(-c3ccc(SC(C)(C)C)cc3)c2)C1,HORBGLYNWDBCBJ-UHFFFAOYSA-N
-rxn:5:190265:227065:227052,CC1CCCN(C(=O)Cc2ccc(-c3ccc(SC(C)(C)C)cc3)c(-c3cccc(C(=O)C(C)C)c3)c2)C1,FBAXBYLIQTUBEB-UHFFFAOYSA-N
-rxn:5:190265:227907:223061,CCC(C)c1cncc(-c2cc(CC(=O)N3CCCC(C)C3)ccc2-c2cc(C3CCNCC3)ncc2F)c1,DWEAUHUSZKIJOX-UHFFFAOYSA-N
-rxn:5:190307:226887:226131,CC1CCN(CCc2cc(-c3ccc(F)c(C(F)(F)F)c3F)ccc2-c2ccccc2CN2CCCC2)CC1,FCLWNHQMIOOONE-UHFFFAOYSA-N
-rxn:5:190307:227348:226150,COc1ccc(-c2ccc(-c3cccc(SC4CCCC4)c3)c(CCN3CCC(C)CC3)c2)c(C)c1OC,MFUQHOBPEAKBSA-UHFFFAOYSA-N
-rxn:5:190308:226053:226466,CC1CCCN(CCc2cc(-c3ccc(F)c(OC(F)(F)F)c3F)ccc2-c2ccc3c(c2)OCC(=O)N3C)C1,NDVXQVZFTZPKPF-UHFFFAOYSA-N
-rxn:5:190308:227592:226150,COc1cc(F)cc(-c2ccc(-c3cccc(SC4CCCC4)c3)c(CCN3CCCC(C)C3)c2)c1OC,TXKOGVJNVLSCLL-UHFFFAOYSA-N
-rxn:5:190337:225588:228511,COc1c(-c2ccc(C3CC3)cc2)cc(C(=O)N2CCC(C)CC2)cc1-c1ccccc1CN1CCSCC1,WSQHHWFXXYVWJR-UHFFFAOYSA-N
-rxn:5:190459:227045:226146,CC(C)(C)Sc1cccc(-c2ccccc2C(=O)N2CCSC(c3ccccc3-c3ccc(SC4CCCC4)cc3)CC2)c1,XQSSMRCGXJRGKG-UHFFFAOYSA-N
-rxn:5:190484:225407:228591,CC(C)c1cnccc1-c1ccccc1C1CCN(C(=O)c2cccc(-c3ccc(C4CCCCCC4)cc3)c2)CCS1(=O)=O,MXJWZBPXEVHRBG-UHFFFAOYSA-N
-rxn:5:190484:226085:228524,CC1(C)CCc2cc(-c3cccc(C(=O)N4CCC(c5ccccc5-c5cnc6c(c5)CCC6)S(=O)(=O)CC4)c3)ccc2O1,BXFWRLOBKXCWAD-UHFFFAOYSA-N
-rxn:5:190484:226341:226176,COc1cc(F)c(C(C)C)cc1-c1cccc(C(=O)N2CCC(c3ccccc3-c3ccncc3C3CCCCC3)S(=O)(=O)CC2)c1,ZSWFLVFKHYNZTB-UHFFFAOYSA-N
-rxn:5:190484:227052:225499,CC(C)(C)Sc1ccc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4ccc(C5CCCCC5)cc4F)S(=O)(=O)CC3)c2)cc1,IQZJEROMDPAFFD-UHFFFAOYSA-N
-rxn:5:190484:227438:227507,O=C(c1cccc(-c2ccnc(C3CCOC3)c2)c1)N1CCC(c2ccccc2-c2cccc(C=C[N+](=O)[O-])c2)S(=O)(=O)CC1,QSTIWRDIBYBSCR-UHFFFAOYSA-N
-rxn:5:190484:227444:226059,CC(C)c1ccc(-c2ccccc2C2CCN(C(=O)c3cccc(-c4cncc(C5CCCO5)c4)c3)CCS2(=O)=O)c(C(C)C)c1,HMJRUYSITFTBAA-UHFFFAOYSA-N
-rxn:5:190484:227815:228195,CCC(C)c1ccccc1-c1cccc(C(=O)N2CCC(c3ccccc3-c3cn(C(C)(C)C)nc3C)S(=O)(=O)CC2)c1,PYOLWYSHBWZQOE-UHFFFAOYSA-N
-rxn:5:190484:227826:226174,CC(C)(C)c1cccc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4ccc(C5CCCCC5)nc4)S(=O)(=O)CC3)c2)c1,QNIFXVXYVPVIAM-UHFFFAOYSA-N
-rxn:5:190484:228002:227830,CC1(c2ccc(-c3ccccc3C3CCN(C(=O)c4cccc(-c5sccc5C5CCCC5)c4)CCS3(=O)=O)cc2)CC1,ZBDONYIHFYQGQX-UHFFFAOYSA-N
-rxn:5:190484:228274:227415,CSc1cc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4ccc(C(C)(C)C)nc4F)S(=O)(=O)CC3)c2)c(F)cc1C,ZUAYDBQFILUDRJ-UHFFFAOYSA-N
-rxn:5:190484:228591:226158,CC(C)c1cnccc1-c1cccc(C(=O)N2CCC(c3ccccc3-c3ccccc3N3CCCCC3)S(=O)(=O)CC2)c1,WHWFTDWOXCZXAV-UHFFFAOYSA-N
-rxn:5:190484:228615:226062,CSc1ccc(C)cc1-c1cccc(C(=O)N2CCC(c3ccccc3-c3cc(C(C)C)cc(C(C)C)c3)S(=O)(=O)CC2)c1,HTLZEJFVWHYSAM-UHFFFAOYSA-N
-rxn:5:190596:223054:225834,CCOC(=O)c1cc2cc(-c3cc(N4CCCCC4)ncc3F)cc(-c3ccc(C(C)N4CCC(O)C4)s3)c2[nH]1,MZADSHJVYRZASV-UHFFFAOYSA-N
-rxn:5:190646:223054:225671,CCOC(=O)c1cnc2c(-c3ccc(C(C)N4CCC(O)C4)s3)cccc2c1-c1cc(C2CCCCC2)ncc1F,ITZMSXRAHNETGW-UHFFFAOYSA-N
-rxn:5:190649:223054:223007,CCOC(=O)c1cnc2cc(-c3ccc(C(C)N4CCC(O)C4)s3)ccc2c1-c1cc(F)cc(C2CCNCC2)c1,ZKWGDEDGEVZSTH-UHFFFAOYSA-N
-rxn:5:190681:225453:225451,CC(=O)Oc1cn(C(C)=O)c2cc(-c3ccc(SC4CCCCC4)cc3)c(-c3cccc(SC4CCCCC4)c3)cc12,HXBOWNHHCCNBTF-UHFFFAOYSA-N
-rxn:5:190711:225976:226661,CCOC(=O)c1c(-c2cc(N3CCN(C)CC3)cs2)c2cc(-c3ccnc(N4CCOCC4)c3F)ccc2n1C,NEVLYEKXPZNAQU-UHFFFAOYSA-N
-rxn:5:190740:223056:225466,CCOC(=O)c1cnc2c(C)cc(-c3ccc(N4CCC(O)CC4)nc3)cc2c1-c1ccc(N2CCCCC2C)cc1,RBFFFCPZZGBKPP-UHFFFAOYSA-N
-rxn:5:190740:225652:225833,CCOC(=O)c1cnc2c(C)cc(-c3cncc(N4CCCC(C)C4)c3)cc2c1-c1ccnc(N2CCCCC2)c1F,BXWKKAJDUPUOHE-UHFFFAOYSA-N
-rxn:5:190740:225674:225639,CCOC(=O)c1cnc2c(C)cc(-c3cnc(C4CCCCC4)cc3F)cc2c1-c1cccnc1N1CCC(C)CC1,PZJQHINYIQRLJL-UHFFFAOYSA-N
-rxn:5:190740:225784:225834,CCOC(=O)c1cnc2c(C)cc(-c3ccc(CN4CCOCC4)nc3)cc2c1-c1cc(N2CCCCC2)ncc1F,YMCXRXGEMRXLJR-UHFFFAOYSA-N
-rxn:5:190740:225833:222995,CCOC(=O)c1cnc2c(C)cc(-c3ccnc(N4CCCCC4)c3F)cc2c1-c1cccc(N2CCCC(O)C2)c1,BEQWOKUFGGFADX-UHFFFAOYSA-N
-rxn:5:190740:225834:222991,CCOC(=O)c1cnc2c(C)cc(-c3cc(N4CCCCC4)ncc3F)cc2c1-c1ccc(N2CCCC(O)C2)cc1,HHWIBQSFMMBLJB-UHFFFAOYSA-N
-rxn:5:190741:223062:223064,CCOC(=O)c1cnc2c(-c3cnc(C4CCNCC4)cc3F)cc(C)cc2c1-c1ccc(C2CCNCC2)nc1F,BGQSSMYYANPVLN-UHFFFAOYSA-N
-rxn:5:190741:225784:225849,CCOC(=O)c1cnc2c(-c3ccc(CN4CCOCC4)nc3)cc(C)cc2c1-c1cnc(N2CCCCC2)cc1F,XZLMAYDCVVMBTA-UHFFFAOYSA-N
-rxn:5:190742:223065:223056,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(N4CCNCC4)cc3F)c2c1-c1ccc(N2CCC(O)CC2)nc1,FFIHWDSIIQPGPA-UHFFFAOYSA-N
-rxn:5:190742:225652:225833,CCOC(=O)c1cnc2c(C)ccc(-c3cncc(N4CCCC(C)C4)c3)c2c1-c1ccnc(N2CCCCC2)c1F,QFKFVAOJTJYAKQ-UHFFFAOYSA-N
-rxn:5:190742:225834:225499,CCOC(=O)c1cnc2c(C)ccc(-c3cc(N4CCCCC4)ncc3F)c2c1-c1ccc(C2CCCCC2)cc1F,QGQQEPKTUKGWKB-UHFFFAOYSA-N
-rxn:5:190742:225976:225978,CCOC(=O)c1cnc2c(C)ccc(-c3ccnc(N4CCOCC4)c3F)c2c1-c1ccc(N2CCOCC2)nc1F,FJKKVDONTWXTES-UHFFFAOYSA-N
-rxn:5:190742:225976:226662,CCOC(=O)c1cnc2c(C)ccc(-c3ccnc(N4CCOCC4)c3F)c2c1-c1ccc(N2CCN(C)CC2)s1,OVMXANCWHGOWCG-UHFFFAOYSA-N
-rxn:5:190742:225982:223064,CCOC(=O)c1cnc2c(C)ccc(-c3cnc(N4CCOCC4)cc3F)c2c1-c1ccc(C2CCNCC2)nc1F,YXHXDFYMWZYANV-UHFFFAOYSA-N
-rxn:5:190742:226583:226571,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(CN4CCOCC4)s3)c2c1-c1cnn(CC2CCOCC2)c1,HLCLRGANYMGGAR-UHFFFAOYSA-N
-rxn:5:190743:223056:225976,CCOC(=O)c1cnc2c(C)c(-c3ccc(N4CCC(O)CC4)nc3)ccc2c1-c1ccnc(N2CCOCC2)c1F,SCMGETJPXXMMNP-UHFFFAOYSA-N
-rxn:5:190743:225652:225833,CCOC(=O)c1cnc2c(C)c(-c3cncc(N4CCCC(C)C4)c3)ccc2c1-c1ccnc(N2CCCCC2)c1F,FISPGEOMRPLYBI-UHFFFAOYSA-N
-rxn:5:190743:225671:222990,CCOC(=O)c1cnc2c(C)c(-c3cc(C4CCCCC4)ncc3F)ccc2c1-c1ccc(N2CCC(O)CC2)cc1,KNCOPOPNHYXDBG-UHFFFAOYSA-N
-rxn:5:190743:225671:222994,CCOC(=O)c1cnc2c(C)c(-c3cc(C4CCCCC4)ncc3F)ccc2c1-c1cccc(N2CCC(O)CC2)c1,ORSSYOXVGFDGCU-UHFFFAOYSA-N
-rxn:5:190743:225671:225636,CCOC(=O)c1cnc2c(C)c(-c3cc(C4CCCCC4)ncc3F)ccc2c1-c1ccnc(N2CCC(C)CC2)c1,DDXMQCRGFGDIPG-UHFFFAOYSA-N
-rxn:5:190743:225671:225639,CCOC(=O)c1cnc2c(C)c(-c3cc(C4CCCCC4)ncc3F)ccc2c1-c1cccnc1N1CCC(C)CC1,ARNOKZLNVDHJSD-UHFFFAOYSA-N
-rxn:5:190743:225674:225636,CCOC(=O)c1cnc2c(C)c(-c3cnc(C4CCCCC4)cc3F)ccc2c1-c1ccnc(N2CCC(C)CC2)c1,IFQICJBVAGVZSY-UHFFFAOYSA-N
-rxn:5:190743:225674:225639,CCOC(=O)c1cnc2c(C)c(-c3cnc(C4CCCCC4)cc3F)ccc2c1-c1cccnc1N1CCC(C)CC1,ZEERQNTVZCFOSZ-UHFFFAOYSA-N
-rxn:5:190743:225674:225641,CCOC(=O)c1cnc2c(C)c(-c3cnc(C4CCCCC4)cc3F)ccc2c1-c1ccnc(N2CCCC(C)C2)c1,RCCPFESILXBMDH-UHFFFAOYSA-N
-rxn:5:190743:225679:223056,CCOC(=O)c1cnc2c(C)c(-c3ccc(N4CCCCC4)cc3F)ccc2c1-c1ccc(N2CCC(O)CC2)nc1,WJAJSFSUUICOOP-UHFFFAOYSA-N
-rxn:5:190743:225833:222990,CCOC(=O)c1cnc2c(C)c(-c3ccnc(N4CCCCC4)c3F)ccc2c1-c1ccc(N2CCC(O)CC2)cc1,ZRVVMQLUTWEZMY-UHFFFAOYSA-N
-rxn:5:190743:225833:222991,CCOC(=O)c1cnc2c(C)c(-c3ccnc(N4CCCCC4)c3F)ccc2c1-c1ccc(N2CCCC(O)C2)cc1,PPDSTBLKMHKCNZ-UHFFFAOYSA-N
-rxn:5:190743:225833:222995,CCOC(=O)c1cnc2c(C)c(-c3ccnc(N4CCCCC4)c3F)ccc2c1-c1cccc(N2CCCC(O)C2)c1,UUJNOSQKQTUIPR-UHFFFAOYSA-N
-rxn:5:190743:225833:225638,CCOC(=O)c1cnc2c(C)c(-c3ccnc(N4CCCCC4)c3F)ccc2c1-c1ccc(N2CCC(C)CC2)nc1,KGSZCAGXGPNBKY-UHFFFAOYSA-N
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-rxn:5:190743:225834:225639,CCOC(=O)c1cnc2c(C)c(-c3cc(N4CCCCC4)ncc3F)ccc2c1-c1cccnc1N1CCC(C)CC1,FABHSZSIMPCKMD-UHFFFAOYSA-N
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-rxn:5:190744:225833:225464,CCOC(=O)c1cnc2c(-c3ccnc(N4CCCCC4)c3F)c(C)ccc2c1-c1cccc(N2CCCC(C)C2)c1,CJMMGEQTUOKRBP-UHFFFAOYSA-N
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-rxn:5:190744:225834:222990,CCOC(=O)c1cnc2c(-c3cc(N4CCCCC4)ncc3F)c(C)ccc2c1-c1ccc(N2CCC(O)CC2)cc1,OPQQBQVEFQIXFR-UHFFFAOYSA-N
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-rxn:5:190797:225832:227024,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2cccc(C(C)N(C)C)c2)c2ccn(C(=O)OC(C)(C)C)c2c1,UZTDJMYDGMJBLS-UHFFFAOYSA-N
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-rxn:5:190833:227503:227166,CC(C)Oc1cc(-c2ccc(-c3ccc4c(c3)OCCN4C)c3c2C(=O)N(C(=O)OC(C)(C)C)C3)c(F)cn1,OZTYPQXMWKGBFX-UHFFFAOYSA-N
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-rxn:5:190859:223004:227387,CC(C)(C)OC(=O)N1CCc2c1ccc(-c1ccc(C3CCNCC3)c(F)c1)c2-c1ccnc(N2CCCC2)c1,RPLVLNUKIPERGZ-UHFFFAOYSA-N
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-rxn:5:190859:225639:228214,CC1CCN(c2ncccc2-c2ccc3c(c2-c2cnc(C4CC4)cc2F)CCN3C(=O)OC(C)(C)C)CC1,GQZRHYTXIHLMDJ-UHFFFAOYSA-N
-rxn:5:190859:226150:225886,CC(C)(C)OC(=O)N1CCc2c1ccc(-c1cccc(SC3CCCC3)c1)c2-c1ccc2c(ccn2S(C)(=O)=O)c1,HDWVZXKSAYFCBX-UHFFFAOYSA-N
-rxn:5:190859:226794:227404,CC(C)(C)OC(=O)N1CCc2c1ccc(-c1cnc(N3CCSCC3)nc1)c2-c1cc(N2CCCCC2)cs1,YDWLBAXHHODGMR-UHFFFAOYSA-N
-rxn:5:190859:227825:225453,CC(C)(C)OC(=O)N1CCc2c1ccc(-c1cccc(C3CCC3)c1)c2-c1cccc(SC2CCCCC2)c1,KPIZKJRFMLHSQN-UHFFFAOYSA-N
-rxn:5:190859:227920:222980,CCC(=O)c1ccc(-c2ccc3c(c2-c2ccc(CN4CCNCC4)cc2)CCN3C(=O)OC(C)(C)C)cc1,WNAJMZRBUQXSSL-UHFFFAOYSA-N
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-rxn:5:190998:226664:228712,COC(=O)c1cc(-c2ccnn2C2CCC2)ccc1N1Cc2cc(-c3cc(N4CCCC4)ncc3F)ccc2OCC1=O,JRJYKCJVMKJGHD-UHFFFAOYSA-N
-rxn:5:191026:227076:227102,CCC(C)c1ccc(F)c(-c2ccc3c(c2)N(c2ccc(C)c(-c4cc(C(C)(C)C)ccc4F)c2)C=C(C(=O)OC)S3(=O)=O)c1,HYIJWVNRXZXLBA-UHFFFAOYSA-N
-rxn:5:191026:227815:226064,CCC(C)c1ccccc1-c1ccc2c(c1)N(c1ccc(C)c(-c3ccc(C4CCCCC4)cc3)c1)C=C(C(=O)OC)S2(=O)=O,QNRWSKBNERZQNF-UHFFFAOYSA-N
-rxn:5:191026:228189:226140,CCSc1ccc(F)c(-c2ccc3c(c2)N(c2ccc(C)c(-c4cc(C(C)(C)C)ccc4OC)c2)C=C(C(=O)OC)S3(=O)=O)c1,DZJPPMMSPNAFOV-UHFFFAOYSA-N
-rxn:5:191026:228567:226916,CCC(C)c1sccc1-c1ccc2c(c1)N(c1ccc(C)c(-c3cccc(C4=CCCC4)c3)c1)C=C(C(=O)OC)S2(=O)=O,PAILIVFYSFDERQ-UHFFFAOYSA-N
-rxn:5:191049:223145:227497,COc1cc(N2Cc3cc(-c4ccc(C5CCC(=O)N5)cc4)ccc3OCC2=O)c(OC)cc1-c1cnc(OC(C)C)nc1C,HDABWRLBPUSCBD-UHFFFAOYSA-N
-rxn:5:191049:225976:226395,COc1cc(N2Cc3cc(-c4ccnc(N5CCOCC5)c4F)ccc3OCC2=O)c(OC)cc1-c1cncc(N2CCCCC2)c1,YERRYMDMXONPJB-UHFFFAOYSA-N
-rxn:5:191049:227819:225453,CCc1cc(CC)cc(-c2ccc3c(c2)CN(c2cc(OC)c(-c4cccc(SC5CCCCC5)c4)cc2OC)C(=O)CO3)c1,DCGKQVDNXGVSLV-UHFFFAOYSA-N
-rxn:5:191049:228177:226067,COCc1ccc(F)cc1-c1ccc2c(c1)CN(c1cc(OC)c(-c3ccc(C4=CCCCC4)cc3)cc1OC)C(=O)CO2,XBXFEYZPDPMVRL-UHFFFAOYSA-N
-rxn:5:191049:228553:225499,CCSc1ccc(-c2ccc3c(c2)CN(c2cc(OC)c(-c4ccc(C5CCCCC5)cc4F)cc2OC)C(=O)CO3)cc1,ANDCBIYBFKUJTQ-UHFFFAOYSA-N
-rxn:5:193156:225407:226686,Cc1cnn(C2CCCCO2)c1-c1cc(CN2CCCC2)cc(-c2ccc(C3CCCCCC3)cc2)c1,GDBHCFHGCGDUDB-UHFFFAOYSA-N
-rxn:5:193226:227376:225834,O=C(c1ccc(-c2cncc(N3CCCC3)c2)c(-c2cc(N3CCCCC3)ncc2F)c1)N1CCOCC1,QLFSEWZFFNFHGL-UHFFFAOYSA-N
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-rxn:5:193229:226679:225980,O=C(c1cccc(-c2cnc(N3CCCC3)cc2F)c1-c1cc(N2CCOCC2)ncc1F)N1CCOCC1,CAKDPJYHKFOUKK-UHFFFAOYSA-N
-rxn:5:193229:227020:225655,CC1CCN(c2cncc(-c3c(C(=O)N4CCOCC4)cccc3-c3cncc(C#CC4CC4)c3)c2)CC1,SCWNAKXQDPZYOB-UHFFFAOYSA-N
-rxn:5:193230:225833:227387,O=C(c1ccc(-c2ccnc(N3CCCCC3)c2F)cc1-c1ccnc(N2CCCC2)c1)N1CCOCC1,RJSYLPFTXVTWHF-UHFFFAOYSA-N
-rxn:5:193230:228695:225607,CC(c1ccc(-c2cc(-c3csc(CN(C)C)c3)ccc2C(=O)N2CCOCC2)s1)N1CCCCC1,DIZGLSOASKHFBT-UHFFFAOYSA-N
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-rxn:5:193332:223141:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(CN2CCOCC2)c(-c2cncc(C3CCNCC3)c2)c1,JVUHUEQVVRAZLJ-UHFFFAOYSA-N
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-rxn:5:193382:223002:222957,Cc1cc(-c2cc(-c3ccc(C4CCNCC4)cc3F)ccc2S(=O)(=O)N2CCOCC2)cc(C2CCCNC2)c1,TUDPEMXSMIHOIE-UHFFFAOYSA-N
-rxn:5:193382:223058:223062,O=S(=O)(c1ccc(-c2cc(F)nc(C3CCCNC3)c2)cc1-c1cnc(C2CCNCC2)cc1F)N1CCOCC1,WHFJKPTWKOWSGP-UHFFFAOYSA-N
-rxn:5:193382:223061:222998,O=S(=O)(c1ccc(-c2cc(C3CCNCC3)ncc2F)cc1-c1cc(F)cc(C2CCCNC2)c1)N1CCOCC1,GLWHKHHYKDDWDK-UHFFFAOYSA-N
-rxn:5:193382:223062:222998,O=S(=O)(c1ccc(-c2cnc(C3CCNCC3)cc2F)cc1-c1cc(F)cc(C2CCCNC2)c1)N1CCOCC1,HXOCARMGVRYKBQ-UHFFFAOYSA-N
-rxn:5:193382:223135:226413,O=S(=O)(c1ccc(-c2cccnc2C2CCCNC2)cc1-c1cccc(N2CCOCC2)c1)N1CCOCC1,QRXWSBOPKPZZPV-UHFFFAOYSA-N
-rxn:5:193382:223139:223001,O=S(=O)(c1ccc(-c2ccc(C3CCNCC3)nc2)cc1-c1cc(C2CCCNC2)ccc1F)N1CCOCC1,XYIJLCNIFOXWNR-UHFFFAOYSA-N
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-rxn:5:193382:225868:223240,O=S(=O)(c1ccc(-c2ccc(N3CCOCC3)c(F)c2)cc1-c1ccc(C2CCNC2)nc1)N1CCOCC1,VZBIGCYWIHAOLR-UHFFFAOYSA-N
-rxn:5:193382:225880:226415,O=S(=O)(c1ccc(-c2cc(C3CCOCC3)ncc2F)cc1-c1ccccc1N1CCOCC1)N1CCOCC1,DZOGSTPHYUIQOX-UHFFFAOYSA-N
-rxn:5:193382:225982:223001,O=S(=O)(c1ccc(-c2cnc(N3CCOCC3)cc2F)cc1-c1cc(C2CCCNC2)ccc1F)N1CCOCC1,KZPYGKBDCISIOW-UHFFFAOYSA-N
-rxn:5:193382:226415:223000,O=S(=O)(c1ccc(-c2ccccc2N2CCOCC2)cc1-c1ccc(C2CCCNC2)c(F)c1)N1CCOCC1,QMMSTOSZMOIBTQ-UHFFFAOYSA-N
-rxn:5:193382:226898:226685,Cc1nn(S(=O)(=O)N(C)C)cc1-c1ccc(S(=O)(=O)N2CCOCC2)c(-c2cnc(C3CCOCC3)nc2)c1,WKUIGXDWRYAAAA-UHFFFAOYSA-N
-rxn:5:193382:227449:226662,CN1CCN(c2ccc(-c3cc(-c4ccc(C5CCOCC5)s4)ccc3S(=O)(=O)N3CCOCC3)s2)CC1,WMYKEQOXDZDSHM-UHFFFAOYSA-N
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-rxn:5:193382:227803:226685,CN(C)S(=O)(=O)n1nccc1-c1ccc(S(=O)(=O)N2CCOCC2)c(-c2cnc(C3CCOCC3)nc2)c1,NMVPCEGWFRFGEG-UHFFFAOYSA-N
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-rxn:5:193538:223146:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(CN2CCCCC2)cc1-c1cccc(C2CNCCO2)c1,DRSLKVDURDXJKX-UHFFFAOYSA-N
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-rxn:5:193542:226188:223062,Cc1cc([Si](C)(C)C)c(C)cc1-c1cccc(CN2CCCCC2)c1-c1cnc(C2CCNCC2)cc1F,KFLUXZBHNXKGGM-UHFFFAOYSA-N
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-rxn:5:193807:226374:225407,CC1CCN(Cc2cccc(-c3ccc(C4CCCCCC4)cc3)c2-c2cncnc2C2CCCCC2)CC1,PDFXDPVUIZWPOT-UHFFFAOYSA-N
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-rxn:5:193866:227562:226980,COc1ccc(F)c(-c2ccc(C3(N4CCC(=O)CC4)CC3)cc2-c2cccc3c2C(=O)CCC3)c1OC,AZGBHHDNLHMUEC-UHFFFAOYSA-N
-rxn:5:193867:225436:228621,CSc1cc(C)ccc1-c1cc(-c2ccc(CN3CCCCC3)cc2)cc(C2(N3CCC(=O)CC3)CC2)c1,IRVWOHXLSJARCX-UHFFFAOYSA-N
-rxn:5:193868:226059:223287,CNS(=O)(=O)c1ccc(-c2ccc(-c3ccc(C(C)C)cc3C(C)C)cc2C(=O)N2CC(C)OC(C)C2)cc1,ZMZSNWOGLPDFOU-UHFFFAOYSA-N
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-rxn:5:193869:223062:227839,Cc1cc(-c2cnc(C3CCNCC3)cc2F)c(S(=O)(=O)N2CCCCC2)cc1-c1c(C)cccc1C1CC1,ZMHVMRNUFDJIBX-UHFFFAOYSA-N
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-rxn:5:193869:223138:227839,Cc1cc(-c2ccnc(C3CCNCC3)c2)c(S(=O)(=O)N2CCCCC2)cc1-c1c(C)cccc1C1CC1,GWLBINPWYLHVQU-UHFFFAOYSA-N
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-rxn:5:193869:223140:227838,Cc1ccc(C2CC2)c(-c2cc(S(=O)(=O)N3CCCCC3)c(-c3ccnc(C4CCCNC4)c3)cc2C)c1,SDAARCSGRIUNHY-UHFFFAOYSA-N
-rxn:5:193869:223140:227839,Cc1cc(-c2ccnc(C3CCCNC3)c2)c(S(=O)(=O)N2CCCCC2)cc1-c1c(C)cccc1C1CC1,XNJIJUPCMMEDSK-UHFFFAOYSA-N
-rxn:5:193869:223141:227841,Cc1cc(-c2cncc(C3CCNCC3)c2)c(S(=O)(=O)N2CCCCC2)cc1-c1c(C)c(C)cc(C)c1C,BEBMTYMYGSTFLQ-UHFFFAOYSA-N
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-rxn:5:193869:226762:227045,CSc1cc(-c2cc(C)c(-c3cccc(SC(C)(C)C)c3)cc2S(=O)(=O)N2CCCCC2)cc(C(F)(F)F)c1,GCEZXXYNELZRTM-UHFFFAOYSA-N
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-rxn:5:193870:223148:222419,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cccc(S(N)(=O)=O)c2)cc1-c1ccccc1C1CNCCO1,XTDLHMSKIAYVOW-UHFFFAOYSA-N
-rxn:5:193870:226085:228437,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2ccc(C(F)F)cc2F)cc1-c1ccc2c(c1)CCC(C)(C)O2,LEODLMLNEFJNOH-UHFFFAOYSA-N
-rxn:5:193870:226794:227113,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cc(C3CC3)c(F)cc2C)cc1-c1cnc(N2CCSCC2)nc1,UXJKBGZFKYZTOX-UHFFFAOYSA-N
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-rxn:5:193871:225456:225886,CN1CCC(c2ccc(-c3cc(C(=O)N4CCC5(CC4)CC5)ccc3-c3ccc4c(ccn4S(C)(=O)=O)c3)cc2)CC1,CDVWEQVQKYGKHC-UHFFFAOYSA-N
-rxn:5:193871:226203:223062,O=C(c1ccc(-c2cnc(C3CCNCC3)cc2F)c(-c2ccc3c(cnn3C3CC3)c2)c1)N1CCC2(CC1)CC2,FCBVYJVHSYTVTR-UHFFFAOYSA-N
-rxn:5:193872:222980:223164,O=C(c1ccc(-c2ccc(CN3CCNCC3)cc2)c(-c2cc(F)c(F)c(NC3CC3)c2)c1)N1CCC2(CC1)CC2,JORIBPLRXZYWEX-UHFFFAOYSA-N
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-rxn:5:193972:226794:228575,Cc1cc(-c2cc(S(=O)(=O)N3CCCCCC3)c(-c3cnc(N4CCSCC4)nc3)cc2C)ccc1C#N,HIKCOFQSQRETBH-UHFFFAOYSA-N
-rxn:5:193972:226794:228590,Cc1cc(-c2cnc(N3CCSCC3)nc2)c(S(=O)(=O)N2CCCCCC2)cc1-c1cccc(C)c1C#N,SQTMCKSUXUACSU-UHFFFAOYSA-N
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-rxn:5:196618:226051:226428,CC1CCCCN1c1csc(-c2ccc(-c3c(OC(F)(F)F)ccc(F)c3F)cc2N2CCCC2=O)c1,XZGMGZHTQNVVSQ-UHFFFAOYSA-N
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-rxn:5:196794:225833:223294,O=C1COCCN1c1cc(-c2ccnc(N3CCCCC3)c2F)ccc1-c1csc(N2CCNCC2)n1,TWOHYNDPLLWJII-UHFFFAOYSA-N
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-rxn:5:196969:222956:226686,Cc1ccc(-c2cnc(C3CCCCC3)cc2-c2c(C)cnn2C2CCCCO2)c(C2CCCNC2)c1,RQKYPHGCWAKAEL-UHFFFAOYSA-N
-rxn:5:196969:225832:223139,Cc1nn(C2CCCCO2)c(C)c1-c1cnc(C2CCCCC2)cc1-c1ccc(C2CCNCC2)nc1,ZABDQDKTZVWEGV-UHFFFAOYSA-N
-rxn:5:196970:226686:225636,Cc1cnn(C2CCCCO2)c1-c1c(C2CCCCC2)ccnc1-c1ccnc(N2CCC(C)CC2)c1,ADGDDXBHSYRYBK-UHFFFAOYSA-N
-rxn:5:196971:225438:225469,CC1CCCN(c2ccc(-c3cc(-c4ccc(C(C)N5CCCC5)cc4)ncc3C3CCCCC3)cc2)C1,QYAHILJRTPXXAH-UHFFFAOYSA-N
-rxn:5:196971:225439:225469,CC1CCCN(c2ccc(-c3cc(-c4cccc(C(C)N5CCCC5)c4)ncc3C3CCCCC3)cc2)C1,OFKJKRRNZMGKBJ-UHFFFAOYSA-N
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-rxn:5:196979:225407:226686,Cc1cnn(C2CCCCO2)c1-c1cc(-c2ccc(C3CCCCCC3)cc2)cc(N2CCCCC2)c1,FXTKAAGVCOWTNQ-UHFFFAOYSA-N
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-rxn:5:197876:225677:227926,CC(C)Sc1ccc(-c2cc3c(cc2-c2ccc(C4CCCCC4)nc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1,YWAMYLKCQZFQMK-UHFFFAOYSA-N
-rxn:5:197876:225679:227052,CC(C)(C)Sc1ccc(-c2cc3c(cc2-c2ccc(N4CCCCC4)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1,ABNREJPHAMFNHJ-UHFFFAOYSA-N
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-rxn:5:197876:226437:227029,CC(C)(C#N)c1ccccc1-c1cc2c(cc1-c1cc(C3CCCC3)ncc1F)S(=O)(=O)N(C(C)(C)C)C2=O,SQLYZIGUIBWKQJ-UHFFFAOYSA-N
-rxn:5:197876:226768:226146,CSc1ccc(-c2cc3c(cc2-c2ccc(SC4CCCC4)cc2)C(=O)N(C(C)(C)C)S3(=O)=O)cc1C(F)(F)F,QOTSTNXITIIPNI-UHFFFAOYSA-N
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-rxn:5:197876:227068:226917,Cc1cc(-c2cc3c(cc2-c2ccc(CC(C)C)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc(C(C)(C)C)c1,WBABAZNJUIMLKR-UHFFFAOYSA-N
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-rxn:5:197876:227102:227415,CC(C)(C)c1ccc(F)c(-c2cc3c(cc2-c2ccc(C(C)(C)C)nc2F)C(=O)N(C(C)(C)C)S3(=O)=O)c1,PNCDRRJTDHENMV-UHFFFAOYSA-N
-rxn:5:197876:227610:227937,CC(C)Sc1cccc(-c2cc3c(cc2-c2ccn(C4CCCCO4)n2)S(=O)(=O)N(C(C)(C)C)C3=O)c1,NCHWIWGZEMXYNJ-UHFFFAOYSA-N
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-rxn:5:197876:228603:225451,CC(=O)c1cccc(-c2cc3c(cc2-c2ccc(SC4CCCCC4)cc2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,GEBVVVQEJOOVCQ-UHFFFAOYSA-N
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-rxn:5:197876:228918:225639,CC1CCN(c2ncccc2-c2cc3c(cc2-c2cnccc2C(F)F)S(=O)(=O)N(C(C)(C)C)C3=O)CC1,JEKSRWSVGBBZCK-UHFFFAOYSA-N
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-rxn:5:227922:178295:227076,CCc1cc(OC)ccc1-c1ccc(-c2cc(C(C)CC)ccc2F)cc1C1(C(=O)OC)CCC(=O)CC1,RENJFZZXOWTTGO-UHFFFAOYSA-N
-rxn:5:227932:178295:227119,COCc1ccc(C)c(-c2ccc(-c3cc(C4CCCCC4)cs3)cc2C2(C(=O)OC)CCC(=O)CC2)c1,MCHDEUIDOHZLSJ-UHFFFAOYSA-N
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-rxn:4:173390:223823,COCCCOc1cc(-c2cnn(C3CCN(C(=O)OC(C)(C)C)CC3)c2)ccc1C(C)=O,XQCBSBBRWOMBME-UHFFFAOYSA-N
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-rxn:4:173596:222815,COc1ccc(OC)c(-c2c(C(C)C)cc(C(C)C)cc2C(C)C)c1-c1ccc(S(=O)(=O)NC(=O)C(C)C)cc1,KUXDRIRMSAMDRT-UHFFFAOYSA-N
-rxn:4:173598:224498,CCN1CCN(Cc2ccccc2-c2cc3oc(C)c(C(=O)OC)c3cc2OCC(=O)OC)CC1,QSAPNJKSIHFKFA-UHFFFAOYSA-N
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-rxn:4:173723:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc3)c2)CC1,JJMQDYDLDQFAAP-UHFFFAOYSA-N
-rxn:4:173723:224009,COc1ccc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)cc1S(=O)(=O)N1CCOCC1,BKNSIALENRLBHF-UHFFFAOYSA-N
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-rxn:4:173723:224197,CCN1CCN(Cc2ccc(-c3ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc3)cc2F)CC1,QRSZRFOKUQPIBF-UHFFFAOYSA-N
-rxn:4:173723:224243,CC1CCCCN1C(=O)c1cc(F)cc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)c1,RUHRXUCAOFEOFV-UHFFFAOYSA-N
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-rxn:4:173723:224573,CC1CCCCN1c1ccc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)c(C#N)c1,YBZUIUWKHXFEHB-UHFFFAOYSA-N
-rxn:4:173723:224589,CC1CCN(Cc2cc(F)ccc2-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)CC1,NFWAZPDJILZJHV-UHFFFAOYSA-N
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-rxn:4:174514:224426,CC(C)[Si](Oc1cccc(-c2cc(C3CCCCC3)cc(C3CC3)c2)c1)(C(C)C)C(C)C,QRRIXCCDVVLLGA-UHFFFAOYSA-N
-rxn:4:174515:224321,CC1CCN(S(=O)(=O)c2cccc(-c3ccc(O[Si](C(C)C)(C(C)C)C(C)C)cc3)c2)CC1,BHMXJZZRNAYMCV-UHFFFAOYSA-N
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-rxn:4:176168:224620,CC(C)[Si](c1c(F)cc(-c2ccc(CO[Si](C)(C)C(C)(C)C)nc2)cc1F)(C(C)C)C(C)C,FJDTZQAZNLCYGB-UHFFFAOYSA-N
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-rxn:4:176953:224313,COc1cc(C(F)(F)F)cc(C(F)(F)F)c1-c1ccc(Cl)c(C(=O)N2CCN(C)CC2)c1,UDIRCZNUIHKNEQ-UHFFFAOYSA-N
-rxn:4:177225:222514,COc1ccc(-c2cc(Cl)cc(F)c2C(=O)OC(C)C)cc1S(=O)(=O)NC1CCCCC1,BFTRZWBMYSQZGY-UHFFFAOYSA-N
-rxn:4:177452:223577,CSc1cc(-c2ccc(OC3CCN(C(=O)OC(C)(C)C)CC3)cc2)cc(OC(C)C)c1F,ZUCPFKAIHDBZKN-UHFFFAOYSA-N
-rxn:4:177536:223593,CC(C)C(=O)c1ccc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c(Cl)c2)cc1C(F)(F)F,MVDIFIYKTIPEPX-UHFFFAOYSA-N
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-rxn:4:177817:223595,CCOc1ccc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c(F)c2)c(C(C)C)c1,BDQAVJSHBFCGKT-UHFFFAOYSA-N
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-rxn:4:178330:223866,COC(=O)C1(c2ccc(-c3ccccc3CN3C(C)(C)CCCC3(C)C)cc2)CC2(C1)OCCO2,BUTGVGGNYSPAFP-UHFFFAOYSA-N
-rxn:4:178364:222817,COc1ccc(S(=O)(=O)NC2CC2)cc1-c1ccc(C(=O)CC2C(=O)CC(C)(C)CC2=O)cc1,JNBSYJJEAHZHIY-UHFFFAOYSA-N
-rxn:4:178364:225318,CC1(C)CC(=O)C(CC(=O)c2ccc(-c3c(F)cc(N4CCOCC4)cc3F)cc2)C(=O)C1,UISZYLRTSIFIAJ-UHFFFAOYSA-N
-rxn:4:178384:227270,CCOCc1ccc(F)c(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c1,OWRRXWZIBJLQCJ-UHFFFAOYSA-N
-rxn:4:178384:227580,COc1cc(Cl)c(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)cc1OC,HGVWVQSJKPRSRB-UHFFFAOYSA-N
-rxn:4:178384:228170,CCOc1ccc(F)cc1-c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1,NVDJLBBBMDQRHD-UHFFFAOYSA-N
-rxn:4:178384:228640,Cc1c(Cl)ccc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c1C,HVVVAICZZXVAAS-UHFFFAOYSA-N
-rxn:4:178384:228905,COc1ncc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)cc1Cl,NBDQQAIFCXSBGB-UHFFFAOYSA-N
-rxn:4:178398:223482,CCOC(=O)c1cc2ccc(-c3ccc(OC(F)(F)F)c(S(=O)(=O)N4CCC5(CC4)OCCO5)c3)cc2o1,IJRQBGOFOHTRDK-UHFFFAOYSA-N
-rxn:4:178594:226438,Fc1cc(C2CCCC2)ncc1-c1cc(Cl)c(OCC23CC4CC(CC(C4)C2)C3)cc1F,IOCNIKJTZZZKTK-UHFFFAOYSA-N
-rxn:4:178597:224165,Cc1ccc2c(cnn2C2CCCCO2)c1-c1ccc(OC(=O)C2OC3OC(C)(C)OC3C3OC(C)(C)OC23)cc1,FXEMXQATPSFJSZ-UHFFFAOYSA-N
-rxn:4:178597:226910,CCC(C)(C)c1ccc(-c2ccc(OC(=O)C3OC4OC(C)(C)OC4C4OC(C)(C)OC34)cc2)cc1,GMCDWTGTGPSIIG-UHFFFAOYSA-N
-rxn:4:178597:226995,CC(C)CSc1ccc(-c2ccc(OC(=O)C3OC4OC(C)(C)OC4C4OC(C)(C)OC34)cc2)cc1,TUKKOTUUUFBXRJ-UHFFFAOYSA-N
-rxn:4:178597:228115,CC(C)Oc1ccc(-c2ccc(OC(=O)C3OC4OC(C)(C)OC4C4OC(C)(C)OC34)cc2)cn1,LLUQOWPCPQCFDD-UHFFFAOYSA-N
-rxn:4:178597:228816,Cc1nc(C)c(-c2ccc(OC(=O)C3OC4OC(C)(C)OC4C4OC(C)(C)OC34)cc2)c(C)n1,SPIZQNUFUXGKGU-UHFFFAOYSA-N
-rxn:4:178597:229026,Cc1cc(-c2ccc(OC(=O)C3OC4OC(C)(C)OC4C4OC(C)(C)OC34)cc2)c(C)cn1,XUARYNYTSUOLGP-UHFFFAOYSA-N
-rxn:4:179089:223498,Cc1cc(OC(F)F)c(F)c(-c2ccc(C(=O)N3CCCN(C(=O)OC(C)(C)C)CC3)cc2)c1,YBWWVNIDCPJBCM-UHFFFAOYSA-N
-rxn:4:179276:223698,Cc1ccc(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCCC3)c2)cc1C(=O)C(F)(F)F,LFLDYZKAKVITDY-UHFFFAOYSA-N
-rxn:4:179791:223660,C#CC1(c2ccccc2-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)s2)CCC1,OCBZDIOJMCLXDQ-UHFFFAOYSA-N
-rxn:4:179825:223532,COC(=O)c1ccc(C)c(C)c1-c1cc(F)cc(CN2CCN(C(=O)OC(C)(C)C)CC2)c1,WWHAAGCRHQJYNI-UHFFFAOYSA-N
-rxn:4:179970:223497,CSc1cc(-c2ccc(C(C)N3CCC(O[Si](C)(C)C(C)(C)C)CC3)cc2)cc(C(C)C)c1,NXNUEGWKXIBWLW-UHFFFAOYSA-N
-rxn:4:180344:222602,CC(C)Cc1cc(-c2ccc(OC3CCCCC3)c(F)c2)c(S(=O)(=O)NC(C)(C)C)s1,YIVWBYKNFYOYPT-UHFFFAOYSA-N
-rxn:4:180604:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3cc(F)c4c(c3)C(C(=O)OC)CO4)c2)CC1,QSVPMRUEELVFEI-UHFFFAOYSA-N
-rxn:4:180792:223872,CCOC1CCC2(CC1)Cc1ccc(-c3cccc(C(=O)N(CC)C4CCCCC4)c3)cc1C2=O,SXWSBUYZAOZTDV-UHFFFAOYSA-N
-rxn:4:180792:224958,CCOC1CCC2(CC1)Cc1ccc(-c3cccc(OCC4CCCCO4)c3)cc1C2=O,YCHCTQMULXFLRD-UHFFFAOYSA-N
-rxn:4:182359:224306,COC1CCC2(CC1)Oc1ccc(-c3ccc(C(F)(F)F)cc3OC3CCCC3)cc1C2=O,CJVWZNKKFIZUNA-UHFFFAOYSA-N
-rxn:4:182372:223884,CO[C@H]1CC[C@]2(CC1)Cc1ccc(-c3ccc4c(c3)CCN(C(=O)OC(C)(C)C)C4)cc1C2=O,YGIRYNGLRLPAGE-YLIUREIVSA-N
-rxn:4:182374:224761,CC(=O)c1cc2c(cc1-c1cccc(S(=O)(=O)N3CCCCC3)c1)C(C)(C)CCC2(C)C,WTQJODLYQCQTCW-UHFFFAOYSA-N
-rxn:4:182376:223001,CO[C@H]1[C@H](C)C[C@@]2(Cc3ccc(-c4cc(C5CCCNC5)ccc4F)cc3C2=O)C[C@@H]1C,WUQWREQCLXNTFV-IHOQRJKKSA-N
-rxn:4:182540:223491,Cc1cc(F)cc(-c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)cc(C(F)(F)F)c2)c1F,PZTNHLWICFRDLF-UHFFFAOYSA-N
-rxn:4:182685:223576,CC(C)(C)OC(=O)N1CCC(Oc2cccc(-c3cc4c(cc3Cl)OC(F)(F)O4)c2)CC1,SHWUNVXXWWTHCE-UHFFFAOYSA-N
-rxn:4:183194:223530,CC(C)(C)OC(=O)N1CCN(Cc2ccc(F)cc2-c2ccc3c(c2)OC2(CSC2)CC3=O)CC1,BOEKDRZAZIJZDZ-UHFFFAOYSA-N
-rxn:4:183194:223845,CN1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2ccc3c(c2)OC2(CSC2)CC3=O)CC1,UPXCAJVOXJUVNN-UHFFFAOYSA-N
-rxn:4:183273:223314,Cc1c(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)ccc2[nH]ncc12,OZVRTHROVNKIDA-UHFFFAOYSA-N
-rxn:4:183273:226912,Cc1cc(CC(C)C)cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,YVYKWORHQPWDIA-UHFFFAOYSA-N
-rxn:4:183273:228956,Fc1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c(F)cc1Cl,LPKZXKYGFHLCHW-UHFFFAOYSA-N
-rxn:4:183274:228855,c1cc2ncc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCOCCO4)cn2n1,BCGYXURLHOCRBB-UHFFFAOYSA-N
-rxn:4:183520:225108,CCOC(=O)Cc1c(-c2ccc(C(=O)N(CC)CC)cc2F)cc(C#N)cc1C(F)(F)F,XZEVHDMAHIZZLX-UHFFFAOYSA-N
-rxn:4:183583:224932,COC(=O)C(C(=O)OC)c1ccc(-c2cc(CN(C)C(C)C)ccc2OC)cc1[N+](=O)[O-],YYSLTIKBBMSXIO-UHFFFAOYSA-N
-rxn:4:183616:223542,CN1CCN(S(=O)(=O)c2cc(-c3ccc(OCCCC(=O)N(C)C)cc3)ccc2OC(F)(F)F)CC1,CWQPNCWFIWXYHL-UHFFFAOYSA-N
-rxn:4:183629:222781,COC(=O)C(Oc1cc(C#N)ccc1-c1cnc(C)cc1NC(=O)OC(C)(C)C)C(C)C,YIZCKFGUYRVIRI-UHFFFAOYSA-N
-rxn:4:183634:225305,CC(C)(C)OC(=O)COc1cc(-c2cnc(C3CCC3)c(C(F)(F)F)c2)cc(F)c1C#N,RXDXEXCHIGHQPA-UHFFFAOYSA-N
-rxn:4:183641:224819,O=C(CCOc1cccc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)c1)ON1C(=O)CCC1=O,ASPLGVAYEVHNDE-UHFFFAOYSA-N
-rxn:4:183755:224126,CCN1CCN(C(C)c2cccc(-c3ccc(C(=O)ON4C(=O)CCC4=O)c(OCC4CC4)c3)c2)CC1,NINJFROKBSWOBI-UHFFFAOYSA-N
-rxn:4:183791:225007,CCN(Cc1cc(F)cc(-c2cccc(CN3CCCCC3)c2F)c1)C(=O)OC(C)(C)C,VBDPMFIVZOYZIR-UHFFFAOYSA-N
-rxn:4:183814:224018,CC(=O)Oc1ccc(N(C(C)=O)S(=O)(=O)c2ccc(Cl)cc2)cc1-c1cc(F)c(F)cc1S(=O)(=O)N1CCOCC1,JRKQMXLPVYQKEG-UHFFFAOYSA-N
-rxn:4:183818:225747,Cc1ccc(-c2ccccc2CN(C(=O)OC(C)(C)C)C2CC2)n1C(=O)OC(C)(C)C,KVSKPJFCHJBFAF-UHFFFAOYSA-N
-rxn:4:183829:224321,CC1CCN(S(=O)(=O)c2cccc(-c3ccc(F)c(CN(C(=O)OC(C)(C)C)C4CC4)c3)c2)CC1,NDUWMJDWTGPVNM-UHFFFAOYSA-N
-rxn:4:183832:222912,CC(C)CNS(=O)(=O)c1ccc(-c2c(F)cccc2CN(C(=O)OC(C)(C)C)C2CC2)cc1,TWRBQYQNXHONLF-UHFFFAOYSA-N
-rxn:4:183892:225223,COC(=O)c1cc(OCCN2CCC(F)(F)CC2)cc(-c2cnc(N3CCC(C)CC3)cc2F)c1,QQBPALWNZAHJLC-UHFFFAOYSA-N
-rxn:4:183892:225993,COC(=O)c1cc(OCCN2CCC(F)(F)CC2)cc(-c2ccc(C(=O)OC)c([N+](=O)[O-])c2)c1,MFIGYMRNFMMHPS-UHFFFAOYSA-N
-rxn:4:183911:226858,CC1CCCCN1CCOc1cc(OC(F)(F)F)ccc1-c1cc(OC(F)(F)F)ccc1Cl,WZZDXRINRQIBKI-UHFFFAOYSA-N
-rxn:4:183912:222456,CC1CCN(CCOc2cc(OC(F)(F)F)ccc2-c2cccc(NC(=O)c3ccc(C(F)(F)F)cc3)c2)CC1,BDPMIXOHTBOMBS-UHFFFAOYSA-N
-rxn:4:183914:225215,CC1CCN(c2nccc(-c3cc(OC(F)(F)F)ccc3OCCN3CCCC(C)C3)c2Cl)CC1,SJNIPAYETXJHPK-UHFFFAOYSA-N
-rxn:4:183929:222445,COc1cccc(CNC(=O)c2cccc(-c3ccc(C)c(CN(C(=O)OC(C)(C)C)C4CC4)c3)c2F)c1,KYQMTNOAHXLJJG-UHFFFAOYSA-N
-rxn:4:183966:224273,CC(C)(C)OC(=O)N1CCC(COc2cc(Cl)cc(-c3cc4ncccc4n3C(=O)OC(C)(C)C)c2)C1,CCSSRIRQPKFPCG-UHFFFAOYSA-N
-rxn:4:183993:224970,Cc1ccc(-c2ccc(S[Si](C)(C)C(C)(C)C)cc2)cc1CN(C(=O)OC(C)(C)C)C1CCC1,WSHFEFNTUVBCSI-UHFFFAOYSA-N
-rxn:4:183998:223920,CN(C(=O)c1ccc(-c2ccc(CN(C(=O)OC(C)(C)C)C3CCCC3)c(F)c2)c(Cl)c1)C1CCCCC1,GWPUPQUSSFOWQE-UHFFFAOYSA-N
-rxn:4:184010:226419,CCOc1ccc(-c2ccc(N3CCCC3)cc2Cl)cc1S(=O)(=O)N(CC)C1CCCCC1,ZVKXCLQXCHQPSJ-UHFFFAOYSA-N
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-rxn:4:184062:224842,Cc1cc(CN(C(=O)OC(C)(C)C)C2CCCC2)ccc1-c1ccc2c(c1)C(C)(C)CCC2(C)C,QTLAXPNARORNCL-UHFFFAOYSA-N
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-rxn:4:184085:225117,Cc1c(OCC2CCN(C(=O)OC(C)(C)C)CC2)cccc1-c1cc(OCCC(C)C)c(F)cc1F,UMJBEMMFKMSXJE-UHFFFAOYSA-N
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-rxn:4:184099:228268,CSc1c(-c2ccc(C(C)N(C(=O)OC(C)(C)C)C3CCC(C)(C)CC3)cc2)ccc(C)c1F,WGJOHFBVYUJIHP-UHFFFAOYSA-N
-rxn:4:184099:228603,CC(=O)c1cccc(-c2ccc(C(C)N(C(=O)OC(C)(C)C)C3CCC(C)(C)CC3)cc2)c1,IZAAGNCTZRIYIM-UHFFFAOYSA-N
-rxn:4:184100:228600,COc1ccc(-c2cc(C)cc(CN(C(=O)OC(C)(C)C)C3CCC(C)(C)CC3)c2)c(C)c1,QCXAHGXQSRIQMV-UHFFFAOYSA-N
-rxn:4:184117:224011,CN1CCN(S(=O)(=O)c2ccc(-c3cc(Cl)cc(OCCCCN4C(=O)c5ccccc5C4=O)c3)cc2F)CC1,URQQXZAJBIGQSW-UHFFFAOYSA-N
-rxn:4:184131:225901,COC(=O)c1cc2ccc(-c3cn(C(=O)OC(C)(C)C)nc3C)cc2n1CC(=O)OC(C)(C)C,ASSWRFGBLCRKIK-UHFFFAOYSA-N
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-rxn:4:184183:224344,COc1ccc(-c2ccc(-c3ccccc3C(F)(F)F)nc2)cc1CCC(=O)N1C2CCC1CC(SC)C2,FNKGXYBYYUISML-UHFFFAOYSA-N
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-rxn:4:184410:223995,CCOC(=O)c1cc(C(F)F)cc(C#N)c1-c1cc(N2CCN(C)CC2)cc(C(F)(F)F)c1,ZADHISQKOQXZKW-UHFFFAOYSA-N
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-rxn:4:184452:223969,COC(=O)Cc1c(C(F)(F)F)ccc(-c2cc(C(F)(F)F)ccc2N2CCC(C)CC2)c1C#N,HFZRJLQJWXWBAE-UHFFFAOYSA-N
-rxn:4:184454:222774,COC(=O)Cc1cc(-c2ccc(F)c(CN3CCC(O)CC3)c2)c(C#N)c(C(F)(F)F)c1,FJGFBIQMNAGYMW-UHFFFAOYSA-N
-rxn:4:184457:224367,COC(=O)Cc1c(C#N)ccc(-c2ccc(OC(F)(F)F)c(OCC(C)C)c2)c1C(F)(F)F,OQSJMPVWJFRPJS-UHFFFAOYSA-N
-rxn:4:184469:224759,COC(=O)Cc1c(-c2cc(F)cc(C(=O)N3CCOCC3)c2)ccc(C#N)c1C(F)(F)F,ICRZHLGIRMISGF-UHFFFAOYSA-N
-rxn:4:184489:224821,CCOC(=O)c1cc(C(F)(F)F)c(-c2ccc(F)c(S(=O)(=O)N3CCCC3)c2)cc1C#N,RXUMGRRRTIJYDI-UHFFFAOYSA-N
-rxn:4:184557:223918,CCOC(=O)c1ccc(C#N)c(OC)c1-c1cc(C(=O)N(C)C2CCCCC2)ccc1F,PWNIWXPWVDIXOQ-UHFFFAOYSA-N
-rxn:4:184615:223977,CCOC(=O)c1nc(OC)c(C(F)(F)F)cc1-c1cc(C(F)(F)F)ccc1C(=O)OC(C)(C)C,YUJBOMYUDUZKML-UHFFFAOYSA-N
-rxn:4:184714:223537,COCCS(=N)(=O)c1cc(-c2cc3cc(OC(F)(F)F)ccc3n2C(=O)OC(C)(C)C)ccc1OC,LMBUKBHOUCKNSL-UHFFFAOYSA-N
-rxn:4:184731:223497,CCOC(=O)c1csc(Cc2cccc(-c3ccc(C(C)N4CCC(O[Si](C)(C)C(C)(C)C)CC4)cc3)c2)n1,OCZHVJWIFQLKIX-UHFFFAOYSA-N
-rxn:4:184799:225747,Cc1ccc(-c2ccccc2S(=O)(=O)N2CC(OCC(F)(F)F)C2)n1C(=O)OC(C)(C)C,AAIXTJFEVSKAGA-UHFFFAOYSA-N
-rxn:4:184843:225346,COC(=O)c1cc(OC2CCOC2)c(-c2ccc(OC)c(S(=O)(=O)N(C)C)c2)cc1[N+](=O)[O-],XHTREKVNHZPFFM-UHFFFAOYSA-N
-rxn:4:184913:224687,COC(=O)C1CN(Cc2ccc(-c3cc(F)cc(CN4CCC(=O)CC4)c3)cc2OC)C1,OJNSGFVAIPMJME-UHFFFAOYSA-N
-rxn:4:184919:222935,CCN(C(=O)c1ccc(-c2ccc(CNS(=O)(=O)N(C)C)cc2)c(C(F)(F)F)c1)C(C)C,QYSHWKARRNUKPK-UHFFFAOYSA-N
-rxn:4:184977:224321,CC1CCN(S(=O)(=O)c2cccc(-c3cc(F)cc(CN(CC4CC4)C(C)C)c3)c2)CC1,OQEMGPQQXIDJNM-UHFFFAOYSA-N
-rxn:4:185018:223954,O=C1CCN(CCOc2ccc(-c3ccccc3OCCCN3CCCCC3)cc2F)CC1,XUHYUKVJTBPFRA-UHFFFAOYSA-N
-rxn:4:185019:224160,CC(C)N(C(=O)Cc1ccc(-c2ccc3c(c2)CCN3C(=O)OC(C)(C)C)cc1)C(C)C,FOMMGBIHIFRCOU-UHFFFAOYSA-N
-rxn:4:185020:223567,CC(C)Oc1ccc2c(c1)cc(-c1ccccc1CC(=O)N(C(C)C)C(C)C)n2C(=O)OC(C)(C)C,LLFPANSFXYKYOQ-UHFFFAOYSA-N
-rxn:4:185024:223867,COc1ccc(OCC(=O)N2CCCCC2)c(-c2cccc(OCCCN3CCC(C)CC3)c2)c1,JFZLDVRBDQLVQU-UHFFFAOYSA-N
-rxn:4:185062:223255,CONC(=O)c1cccc(-c2cc(Cl)cc(F)c2OCCN2CCC(C(F)(F)F)CC2)c1,PNUGWZAJOBJRHY-UHFFFAOYSA-N
-rxn:4:185117:226233,CN(C)CCOc1ccc(-c2cccc(S(=O)(=O)CC(=O)N3CCCC(C(F)(F)F)C3)c2)cc1,YOXRWPOTYSQACK-UHFFFAOYSA-N
-rxn:4:185121:225166,CCN1C(=O)C(=Cc2ccc(COc3ccc(-c4ccc(C(=O)N5CCCC5)c(F)c4)cc3)o2)SC1=S,JQSRXKHJUHSUJL-UHFFFAOYSA-N
-rxn:4:185131:225342,COc1ccc(-c2cc(C(=O)N(C)C)cc([N+](=O)[O-])c2)cc1S(=O)(=O)N(C(C)C)C(C)C,SPNHWMPBSLKVKF-UHFFFAOYSA-N
-rxn:4:185170:224128,CN(C(=O)c1ccc(-c2ccccc2C(=O)N(Cc2ccco2)C2CCS(=O)(=O)C2)cc1)C1CCCCC1,AVWXRVWKMRGSKE-UHFFFAOYSA-N
-rxn:4:185178:224364,CC(C)COc1cc(OC(F)(F)F)cc(-c2ccc(Cl)c(C(=O)N3CCC(S(=O)(=O)Cc4ccco4)C3)c2)c1,HVUVDDIZJFPIAO-UHFFFAOYSA-N
-rxn:4:185212:228194,Cc1nn(C(C)C)c(C)c1-c1ccc(CC2COS(=O)(=O)N2C(=O)OC(C)(C)C)cc1,XLHOHMZCUJCSPG-UHFFFAOYSA-N
-rxn:4:185229:222892,COc1cc(N2CCNCC2)ccc1-c1ccccc1S(=O)(=O)N1CCC(S(=O)(=O)Cc2ccco2)C1,RVYSLWKJFXVRRI-UHFFFAOYSA-N
-rxn:4:185245:223591,CC(C)CS(=O)(=O)C1CCN(C(=O)c2ccc(-c3cc(N4CCN(C(=O)OC(C)(C)C)CC4)ccc3F)o2)CC1,ZCWSEAKEHDTBOY-UHFFFAOYSA-N
-rxn:4:185260:222936,CCC(=O)NS(=O)(=O)c1ccc(-c2ccc(CC3CCN(C(=O)OC(C)(C)C)C3)cc2)cc1,UVSGVZUMPQERON-UHFFFAOYSA-N
-rxn:4:185265:224570,CC(c1ccc(-c2cccc(C3CN(CC(=O)OC(C)(C)C)C(=O)CO3)c2)cc1)N1CCN(C)CC1,GSLCIDRTFCNTNC-UHFFFAOYSA-N
-rxn:4:185287:222926,Cc1nc(N2CCCC(O)C2)ncc1-c1ccc(C(=O)N(Cc2cccc(Cl)c2)C2CCS(=O)(=O)C2)cc1,NYTKTQAQNWQLIC-UHFFFAOYSA-N
-rxn:4:185303:223768,CCOc1ccc(-c2cn(C(=O)OC(C)(C)C)c3cc(C#N)ccc23)cc1S(=O)(=O)N(C)C1CCCCC1,MIPYWAGUBJSJTG-UHFFFAOYSA-N
-rxn:4:185317:225829,CC1CCN(c2ncc(-c3cc(C4CN(C(=O)OC(C)(C)C)C4)ccc3C3CC3)cn2)CC1,CRJAOHPREKGHLV-UHFFFAOYSA-N
-rxn:4:185340:224195,CCN1CCN(Cc2cc(-c3ccc(OCc4ccccc4)c(C(=O)N4CCC(F)(F)CC4)c3)ccc2Cl)CC1,ONRVBYNBWAETNT-UHFFFAOYSA-N
-rxn:4:185353:226573,Cc1nc(OC(C)(C)C)ncc1-c1ccc(CC(=O)N2CCC(S(=O)(=O)C(C)(C)C)C2)cc1,JSCLTZFCPDPRCR-UHFFFAOYSA-N
-rxn:4:185368:222912,CC(C)CNS(=O)(=O)c1ccc(-c2ccc(OCC(=O)N3CCCCC3)c(C(C)(C)C)c2)cc1,KVZRNVXJAWGTOF-UHFFFAOYSA-N
-rxn:4:185369:224377,CN1CCN(S(=O)(=O)c2ccc(-c3cccc(C(=O)N4CCCCC4CSC(C)(C)C)c3)cc2)CC1,VNRZPZLLTSCVHB-UHFFFAOYSA-N
-rxn:4:185371:224727,COC(=O)c1cc(-c2ccc(CC3CCN(C(=O)OC(C)(C)C)CC3)cc2)cc(OC(C)(C)C)n1,CFGUDMVZXYOSEV-UHFFFAOYSA-N
-rxn:4:185375:222987,Cc1nc(C2CCNCC2)ccc1-c1ccccc1S(=O)(=O)N1CCC(S(=O)(=O)CC(C)C)CC1,PZRHWONKMAASHL-UHFFFAOYSA-N
-rxn:4:185376:223148,CC(C)CS(=O)(=O)C1CCCN(S(=O)(=O)c2ccccc2-c2ccccc2C2CNCCO2)C1,OTNQCJZRFUVYSV-UHFFFAOYSA-N
-rxn:4:185377:226762,CSc1cc(-c2ccc(S(=O)(=O)C3CCN(C(=O)OC(C)(C)C)CC3)cc2)cc(C(F)(F)F)c1,TZIIIPROXJUSGE-UHFFFAOYSA-N
-rxn:4:185388:223769,CC(C)(C)OC(=O)N1CCCC(c2ccc(-c3cc4cccc(C#N)c4n3C(=O)OC(C)(C)C)cc2C(F)(F)F)C1,AHIADTKJUNQKHE-UHFFFAOYSA-N
-rxn:4:185396:223049,O=C(NC1CC1)c1ccc(-c2ccc(CC(=O)N3CCC(S(=O)(=O)c4ccc(F)cc4)CC3)cc2)c(F)c1,RZLICIOFYMOOSG-UHFFFAOYSA-N
-rxn:4:185406:227052,COc1cc(-c2ccc(SC(C)(C)C)cc2)cc(C2CCN(C(=O)OC(C)(C)C)CC2)c1,AJTADMKQIQBSCJ-UHFFFAOYSA-N
-rxn:4:185407:223774,COc1ccc(C2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1cc2c(OC)cccc2n1C(=O)OC(C)(C)C,FKRDQRCPYRRFSG-UHFFFAOYSA-N
-rxn:4:185418:225713,CCOC(=O)COc1cccc(-c2ccccc2C(=O)N2CCC(S(=O)(=O)c3ccc(OC)cc3)CC2)c1,VDUHUEGKCIGUJE-UHFFFAOYSA-N
-rxn:4:185442:223274,CNC(=O)c1ccc(-c2cc(C3COC3)cc(C3CCN(C(=O)OC(C)(C)C)CC3C)c2)c(Cl)c1,IHPKKVUNVUCODU-UHFFFAOYSA-N
-rxn:4:185491:223898,CON=CC(C)C(=O)c1ccc2c(-c3ccc(N(C(=O)OC(C)(C)C)C(C)C)cc3)c(OC)ccc2c1,XKSWODVWVPJORX-UHFFFAOYSA-N
-rxn:4:185509:223592,COC(=O)c1cc2c(cc1-c1ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc1Cl)CCN2C(=O)OC(C)(C)C,MUZOMUBAPMTCLK-UHFFFAOYSA-N
-rxn:4:185516:223846,Cc1cc(-c2ccc(OCCCN3C(=O)C(=O)c4cccc(C)c43)cc2)cc(C2CC3CCC2(C)C3(C)C)c1,CKCQEBQOKCACDG-UHFFFAOYSA-N
-rxn:4:185648:227225,CC(C)CSc1ccc(-c2ccc(S(=O)(=O)N(C(=O)C3CCCCC3)c3ccc4oc5c(c4c3)CCCC5)cc2)cn1,ULPARWGIEQILHD-UHFFFAOYSA-N
-rxn:4:185648:228430,CSc1cc(F)c(-c2ccc(S(=O)(=O)N(C(=O)C3CCCCC3)c3ccc4oc5c(c4c3)CCCC5)cc2)c(F)c1,BSWSSFNTPWUIRX-UHFFFAOYSA-N
-rxn:4:185684:223822,CC(C)(C)COC(=O)c1ccc(C(F)(F)F)cc1-c1cc(CC#N)cc(OC(F)(F)F)c1,FHKDGAOOVRZXRN-UHFFFAOYSA-N
-rxn:4:185687:223897,CCOC(=O)c1sc(-c2ccc(C)c(OCCCN3CCOCC3)c2)nc1C(F)(F)F,MVSBBIAVDDJNIG-UHFFFAOYSA-N
-rxn:4:185743:222603,COc1cc(-c2cc(F)cc([N+](=O)[O-])c2OCC(F)(F)F)c(Cl)cc1NC(=O)OC(C)(C)C,SRUVDYGIWVWVRW-UHFFFAOYSA-N
-rxn:4:185803:223839,COC(=O)Cc1ccc(F)c(C#N)c1-c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1OC,PPFINTYHJLAGNN-UHFFFAOYSA-N
-rxn:4:185979:223539,COC(=O)Cc1cc(-c2ccc(OC)c(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)cc([N+](=O)[O-])c1,ZZGSAUHQJHERDJ-UHFFFAOYSA-N
-rxn:4:186001:223645,CCOC(=O)C1CCCN(C(=O)c2cccc(-c3cc(C(=O)OC)c(C#N)cc3OC)c2)C1,AKMCMICTDMMTGK-UHFFFAOYSA-N
-rxn:4:186006:223838,COC(=O)c1ccc(OC)c(C#N)c1-c1ccc(N2CCN(S(=O)(=O)N(C)C)CC2)cc1,OXUOLQPIGDWRJK-UHFFFAOYSA-N
-rxn:4:186323:222523,COc1cc(-c2ccc(S(=O)(=O)NC(C)(C)C)cc2C(F)(F)F)ccc1OC(=S)N(C)C,BVEXZPHTOJRHSN-UHFFFAOYSA-N
-rxn:4:186595:223528,CN(Cc1cccc(-c2ccc(F)c(CN3CCN(C(=O)OC(C)(C)C)CC3)c2)c1)C(=O)C1CC1,DLXNNWGFBNWDCX-UHFFFAOYSA-N
-rxn:4:186892:222792,CC(C)(C)OC(=O)Nc1ccc(F)c(-c2ccccc2S(=O)(=O)CC(=O)N2CCCC2)c1,QSUSNSIGGZZTRT-UHFFFAOYSA-N
-rxn:4:187025:223823,CC(C)(C)OC(=O)N1CCC(n2cc(-c3ccc(Oc4ccc(C#N)cc4)cc3C3OCCO3)cn2)CC1,ASPSRCSZGZUXRI-UHFFFAOYSA-N
-rxn:4:187051:223953,COCCN1CCN(c2cc(F)cc(-c3ccc(F)cc3C(=O)N(C(C)C)C(C)C)c2)CC1,WMQXVQUCWKWGGG-UHFFFAOYSA-N
-rxn:4:187081:222545,CC(C)(C)OC(=O)NC(C)(C)c1ccc(-c2cc([N+](=O)[O-])cc(F)c2OCC2CCCCC2)cc1,JRLLOHQEANUHSI-UHFFFAOYSA-N
-rxn:4:187114:224402,CCOc1cccc(-c2cc(F)c(F)cc2S(=O)(=O)N(CC)CC)c1CN1CCOCC1,UEOYAOHNWNLZAY-UHFFFAOYSA-N
-rxn:4:187131:224426,COc1cc(-c2cc(C3CCCCC3)cc(C3CC3)c2)cc(OC)c1CN1CCC(F)(F)C1,CKRGAZPSQYPEKT-UHFFFAOYSA-N
-rxn:4:187158:226273,CCN(C)C(=O)c1ccc(-c2cccc(S(=O)(=O)CC(=O)N3CCC(F)(F)CC3)c2)cc1,BVZOHVFVMNYPJH-UHFFFAOYSA-N
-rxn:4:187175:224719,Cc1ccc(OCC(=O)N2CCCCC2)c(-c2cn(C(=O)OC(C)(C)C)nc2C(C)C)c1,UDLBFJGWCSDHGH-UHFFFAOYSA-N
-rxn:4:187211:222899,CCCCNS(=O)(=O)c1ccc(-c2ccc(C3(F)CN(C(=O)OC(C)(C)C)C3)cc2)cc1,LMBADZNIXALIBX-UHFFFAOYSA-N
-rxn:4:187406:223840,COc1ccc(-c2ccc(OCC(=O)N3CCC(C)CC3)c(C)c2)cc1S(=O)(=O)N1CCN(C)CC1,JWQRSSLKSLMCOK-UHFFFAOYSA-N
-rxn:4:187410:224765,CC1CCCC(C)N1C(=O)COc1cccc(-c2cc(C(F)(F)F)ccc2N2CCCC2)c1,XTTPQOVSTDASRG-UHFFFAOYSA-N
-rxn:4:187412:222899,CCCCNS(=O)(=O)c1ccc(-c2ccc(C3CCCN3C(=O)OC(C)(C)C)cc2)cc1,QJESDTMWBQEFLE-UHFFFAOYSA-N
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-rxn:4:187975:223523,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc(-c4c(C)oc5cc(OC(=O)N6CCOCC6)ccc5c4=O)cc3)c3ccccc23)CC1,XSXRIOWUTOJBPR-UHFFFAOYSA-N
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-rxn:4:188140:222447,COc1ccc2c(c1-c1cc(OC(F)F)cc([N+](=O)[O-])c1)N=C(NC(=O)OC(C)(C)C)C2,PAWSUDWHWZKCCD-UHFFFAOYSA-N
-rxn:4:188443:223696,COc1cc(C(=O)C(F)(F)F)c(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc2)cn1,LTJWDMRKTIKCEP-UHFFFAOYSA-N
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-rxn:4:189766:223866,CC1(C)CCCC(C)(C)N1Cc1ccccc1-c1ccc(C(=O)N2CCC(F)(F)C2)cc1C(F)(F)F,FCMVIPJGJHITHK-UHFFFAOYSA-N
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-rxn:4:189840:224180,COC(=O)c1cc(F)c(N2CCCC2)cc1-c1ccccc1OCCN1CCN(C)CC1,RYOAKZRPXQFFMC-UHFFFAOYSA-N
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-rxn:4:189961:225208,Cc1nc(N2CCCC(C)C2)ncc1-c1cc([N+](=O)[O-])ccc1OC1CCC(F)(F)CC1,LXYHTTLYZZTWQX-UHFFFAOYSA-N
-rxn:4:189972:225744,CC(C)(C)OC(=O)c1cncc(-c2ccc(S(=O)(=O)N3CCOCC3)c(C(F)(F)F)c2)c1,OLSWYTAGLCGTFB-UHFFFAOYSA-N
-rxn:4:190027:224243,CC1CCCCN1C(=O)c1cc(F)cc(-c2ccc(CC(=O)N3CCC(F)(F)CC3)cc2)c1,GLDTURMEROYSLS-UHFFFAOYSA-N
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-rxn:4:190156:223481,COc1ccc(S(=O)(=O)N2CCC(=O)CC2)cc1-c1ccc(S(=O)(=O)N2CCC(O[Si](C)(C)C(C)(C)C)CC2)cc1F,ZEITYCKQIQTMJA-UHFFFAOYSA-N
-rxn:4:190178:226008,COc1ccc(OC(F)(F)F)c(-c2ccc(S(=O)(=O)N3CCCC(F)(F)C3)c(C(F)(F)F)c2)c1,IVCKCBYDKMXLML-UHFFFAOYSA-N
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-rxn:4:190426:222776,CC(C)S(=O)(=O)N1CCC(c2ccc(-c3ccc(CN4CCC(O)CC4)cc3F)cc2)CC1,HGKFLTASSYUWHK-UHFFFAOYSA-N
-rxn:4:190428:224810,CC(C)(C)c1cc(CN2CCC(F)(F)C2)cc(-c2cnc(N3CCCC3)c(C(F)(F)F)c2)c1,ZQNOSNOLOBLHON-UHFFFAOYSA-N
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-rxn:4:190477:225919,COCc1cc(C(F)(F)F)ccc1-c1ccc(OC)cc1C(=O)N1CC2(COC(C)(C)OC2)C1,XNLQGVKTAOJPBG-UHFFFAOYSA-N
-rxn:4:190485:225363,O=C(c1cccc(-c2ccc(C(=O)N3CC(F)(F)C3)nc2)c1)N1CCC(c2ccccc2F)S(=O)(=O)CC1,MYEKCFAUEZRESV-UHFFFAOYSA-N
-rxn:4:190487:225050,COc1cc(S(=O)(=O)N2CC(C)CC(C)C2)c(C)cc1-c1cc(F)cc(N2CCC(C)CC2)c1,CTGCBXFZMIMDDF-UHFFFAOYSA-N
-rxn:4:190850:224082,CCC(C(=O)OC(C)(C)C)c1cccc(-c2ccc3c(c2)CCN3C(=O)OC(C)(C)C)c1,SJEZAEFVCCJMMZ-UHFFFAOYSA-N
-rxn:4:190865:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2ccc3c(c2)C(=O)C(=O)N3CC(=O)C(C)(C)C)cc1,AVEVDEWQMDOEPW-UHFFFAOYSA-N
-rxn:4:190899:223896,COc1cccc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CCO3)c1C(=O)N(C(C)C)C(C)C,SYVPZHYMFJHMTE-UHFFFAOYSA-N
-rxn:4:190905:224485,CC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2ccc3c(c2F)N(C(=O)OC(C)(C)C)CCO3)c1,PVOSUXPCNSDODZ-UHFFFAOYSA-N
-rxn:4:190926:225312,CN1CCCN(c2ncc(-c3ccc4c(c3)N(C(=O)OC(C)(C)C)CCC4=O)cn2)CC1,JNUJQLKTKKOENQ-UHFFFAOYSA-N
-rxn:4:190951:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2cccc3c2CCN(C(=O)OC(C)(C)C)C3)cc1,ATGIJZJXZYFUND-UHFFFAOYSA-N
-rxn:4:190953:222637,CC(NC(=O)OC(C)(C)C)c1ccc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3)cc1,VFGHAYOAKSLIJF-UHFFFAOYSA-N
-rxn:4:190959:224485,CC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2cc3c(s2)CCCN(C(=O)OC(C)(C)C)C3)c1,XMUIEAHJMDXBEY-UHFFFAOYSA-N
-rxn:4:190960:224060,COc1c(C(C)(C)C)cc(-c2ccc3c(c2)C(C)N(C(=O)OC(C)(C)C)C3)cc1C(C)(C)C,ATVAYWMOMUZGLR-UHFFFAOYSA-N
-rxn:4:190963:223936,CC(C)(C)OC(=O)N1CCc2c(cc(F)cc2-c2cc3c(F)cccc3n2C(=O)OC(C)(C)C)C1,LMOKYRLBEFHVBP-UHFFFAOYSA-N
-rxn:4:191006:222695,COC1CC2CCC(C1)N2S(=O)(=O)c1ccc(-c2ccc(C)c(S(=O)(=O)NC3CCCC3)c2)cc1,NEXJWKUTCXTXSN-UHFFFAOYSA-N
-rxn:4:191022:224615,COC(=O)C1=CN(c2ccc(-c3cccc(OCCN4CCOCC4)c3)c(C)c2)c2ccccc2S1(=O)=O,OGGQQGWFOIDVNL-UHFFFAOYSA-N
-rxn:4:191033:224485,CC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)CCC3)c1,OMMNVTLOUUSNSP-UHFFFAOYSA-N
-rxn:4:191041:222884,CC(C)(C)NC(=O)c1cc(F)cc(-c2cccc(C(=O)N3C4CCC3CC(S(C)(=O)=O)C4)c2)c1,HQESSZAIVBWDFD-UHFFFAOYSA-N
-rxn:4:191055:223975,CC(C)(C)OC(=O)N1Cc2ccc(-c3cn(C(=O)OC(C)(C)C)c4ccc(Cl)nc34)cc2C2(CC2)C1,ZNXYTYXEHAANRT-UHFFFAOYSA-N
-rxn:4:191062:225622,CS(=O)(=O)C1CC2CCC(C1)N2S(=O)(=O)c1ccccc1-c1ccccc1OC1CCCCO1,WFSXXJWHSQJHQS-UHFFFAOYSA-N
-rxn:4:191062:226444,Cc1nc(C2CCCO2)ccc1-c1ccccc1S(=O)(=O)N1C2CCC1CC(S(C)(=O)=O)C2,JXLPCBGPNHWWQD-UHFFFAOYSA-N
-rxn:4:191067:225172,O=S(=O)(c1ccc2c(c1)CCO2)N1CCSC1c1ccc(F)c(-c2cc(CN3CCOCC3)ccc2F)c1,YPBRMFNOPGWQQW-UHFFFAOYSA-N
-rxn:4:191080:223901,COC(=O)C1=CN(c2ccc(C)c(C)c2)c2cc(-c3ccc(OCCN4CCC(C)CC4)c(Cl)c3)ccc2S1(=O)=O,NUYGIVOEVAAXLE-UHFFFAOYSA-N
-rxn:4:191087:222833,CC(C)CCC(=O)Nc1cccc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CCC3(C)C)c1,DNGPQOMOZADESV-UHFFFAOYSA-N
-rxn:4:191089:224188,CC(C)N(C(=O)c1ccc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3(C)C)c(Cl)c1)C(C)C,VAAQJGJKSRUXDU-UHFFFAOYSA-N
-rxn:4:191089:224609,CC(C)N(C(=O)c1ccncc1-c1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2(C)C)C(C)C,MURSTEZRYZBYHK-UHFFFAOYSA-N
-rxn:4:191091:224482,CC(C)(C)OC(=O)N1Cc2c(-c3cccc(OCCCN4CCCC4)c3)cccc2C(C)(C)C1,HLOQLOLSFXEMLE-UHFFFAOYSA-N
-rxn:4:191092:222820,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)C(C)(C)C3)cc1F,SEDGNAISRAXGBA-UHFFFAOYSA-N
-rxn:4:191092:225744,CC(C)(C)OC(=O)c1cncc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)C(C)(C)C3)c1,LSHHQQXEUSYUIK-UHFFFAOYSA-N
-rxn:4:191097:226722,COC(=O)c1cc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)cnc1OC,IXBGOVHKMREOSF-UHFFFAOYSA-N
-rxn:4:191124:226062,CC(C)c1cc(-c2ccc3c(c2)C2(CC3)CCN(C(=O)OC(C)(C)C)CC2)cc(C(C)C)c1,BBHWDLKDTDVKDH-UHFFFAOYSA-N
-rxn:4:191125:226111,CC(C)(C)OCc1ccccc1-c1ccc2c(c1)CCC21CCN(C(=O)OC(C)(C)C)CC1,HEDWAQKZCNSABA-UHFFFAOYSA-N
-rxn:4:191129:225434,CC(C)(C)OC(=O)N1CCC2(CCc3cc(-c4cccc(OCC5CCCC5)c4)ccc3O2)CC1,GDBSRAOVIVGZBC-UHFFFAOYSA-N
-rxn:4:191149:224757,CC(C)(C)OC(=O)N1C2CCC1c1c(-c3cc(Cl)cc(C(=O)N4CCOCC4)c3)cccc12,BTFBGVUWUIPPSQ-UHFFFAOYSA-N
-rxn:4:191182:223522,CC(C)(C)[Si](C)(C)OC1CCN(c2cc(F)cc(-c3ccc(C4c5c(oc6ccc(Cl)cc6c5=O)C(=O)N4CC4CCCO4)cc3)c2)CC1,PIUQLPLKHDAPQG-UHFFFAOYSA-N
-rxn:4:191195:224464,CCc1ccc(-c2ccc(-c3cc4c(c5c3CCC5)N(C(=O)OC(C)(C)C)C(C)(C)C(=O)C4C)c(F)c2)cc1,DGFGPBGZBZXTKI-UHFFFAOYSA-N
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-rxn:4:202328:227827,COC1CCN(C2CCN(S(=O)(=O)c3ccccc3-c3cc(C4CC4)ccc3C)CC2)CC1,IJLTUPXPCZBTHN-UHFFFAOYSA-N
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-rxn:4:202328:228519,COC1CCN(C2CCN(S(=O)(=O)c3ccccc3-c3c(C)cc(C)cc3C)CC2)CC1,PBURRZWPMNYTSF-UHFFFAOYSA-N
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-rxn:4:203639:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(S(=O)(=O)NN2CCSCC2)cc1,MNBYCZJBZPDYKP-UHFFFAOYSA-N
-rxn:4:203639:223784,CCN1CCN(CCOc2ccc(-c3ccc(S(=O)(=O)NN4CCSCC4)cc3)cc2F)CC1,PURMWBZSBGNXNO-UHFFFAOYSA-N
-rxn:4:203702:225518,CCCCCOc1ncc(C)cc1-c1cnc(C(=O)N2CCCC(C(F)(F)F)C2)c(Cl)c1,ZGQVPATYONSUNY-UHFFFAOYSA-N
-rxn:4:203783:224849,COc1cc(N2CCC(F)(F)CC2)c(-c2cc(C3CCCC3)cc(C3CC3)c2)cc1[N+](=O)[O-],RXJJACSFCICOIT-UHFFFAOYSA-N
-rxn:4:203783:225466,COc1cc(N2CCC(F)(F)CC2)c(-c2ccc(N3CCCCC3C)cc2)cc1[N+](=O)[O-],ZTQWCKWFCNMKFF-UHFFFAOYSA-N
-rxn:4:203817:224594,CCN1CCN(C(=O)c2ccc(-c3ccccc3C3CCCCN3C(C)=O)c(Cl)c2)CC1,KARZUKICPZIAPL-UHFFFAOYSA-N
-rxn:4:203824:224738,CCN1CCN(C(=O)c2ccc(-c3cc(OCC4CC4)cc(C(F)(F)F)c3)c(F)c2)CC1,BHNVVNSFBSGEMH-UHFFFAOYSA-N
-rxn:4:203854:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1nc(OC(C)(C)C)cc(C(C)(C)C)n1,KTSBVJYDGQSJSR-UHFFFAOYSA-N
-rxn:4:203866:223504,CCN1CCN(Cc2ccc(Cl)cc2-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c([N+](=O)[O-])c2)CC1,NGJAXSGNWIWNJG-UHFFFAOYSA-N
-rxn:4:203887:222694,CCS(=O)(=O)N1CCN(c2ccc(-c3cccc(S(=O)(=O)NC4CCCCC4)c3)cc2)CC1,MUBYTSLURWNWCD-UHFFFAOYSA-N
-rxn:4:203942:222657,COc1cc(OC)c(-c2ccc(F)c(C(=O)NC3CCCCC3)c2)cc1C=C1C(=O)N(C)C(=S)N1C,NEWUOBNPKJCMMS-UHFFFAOYSA-N
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-rxn:4:204018:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1ccc(CN2CCN(S(C)(=O)=O)C(C)C2)cc1,SYEQNGXAQAPICV-UHFFFAOYSA-N
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-rxn:4:204030:224719,CC(C)c1nn(C(=O)OC(C)(C)C)cc1-c1cccc(N2CCN(S(=O)(=O)C(C)C)CC2)c1,URRUCDAJKNIXHP-UHFFFAOYSA-N
-rxn:4:204031:222759,Cc1cc(NC(=O)OC(C)(C)C)cc(-c2ccccc2N2CCN(S(=O)(=O)C(C)C)CC2)c1,HKNOAIJZAQCCJF-UHFFFAOYSA-N
-rxn:4:204032:223740,CN1CCN(C(=O)C2(c3ccc(-c4cc(O[Si](C)(C)C(C)(C)C)cc5ccccc45)cc3)CC2)CC1,YDRWTJHOAXCHHU-UHFFFAOYSA-N
-rxn:4:204068:223898,CC(C)N(C(=O)OC(C)(C)C)c1ccc(-c2ccc(N3CCN(C(=O)C(C)(C)C)CC3)cc2)cc1,SOVHKKASHMFKSZ-UHFFFAOYSA-N
-rxn:4:204114:227426,O=C(c1ccc(-c2ccc(C3CCCO3)nc2)o1)N1CCCN(C2CCSCC2)CC1,LJAPZZUOWXBOQT-UHFFFAOYSA-N
-rxn:4:204115:223174,CCS(=O)(=O)Nc1ccc(-c2ccccc2S(=O)(=O)N2CCCN(C3CCC3)CC2)cc1,LRNSMJWTSXWXEC-UHFFFAOYSA-N
-rxn:4:204158:225159,Cc1ccc(N2CCN(S(=O)(=O)c3cc(C)c(-c4cccc(C(=O)N5CCOCC5)c4)cc3Cl)CC2)cc1,CIQSROSGWRYWMR-UHFFFAOYSA-N
-rxn:4:204166:223084,CC1CCCCN1Cc1ccc(-c2cnc(N3CCC(O)CC3)nc2)cc1N1CCOCC1,FRAYVJXHZUHCQH-UHFFFAOYSA-N
-rxn:4:204166:223699,CC1CCCCN1Cc1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2C(F)(F)F)cc1N1CCOCC1,DSFAIRGMTYFQOD-UHFFFAOYSA-N
-rxn:4:204171:223167,CC1CCCN(Cc2ccc(-c3ccnc(N4CCNCC4)c3)cc2N2CCCCC2)C1,GDUGNMBKMSBOBA-UHFFFAOYSA-N
-rxn:4:204175:223084,O=C(c1ccccc1)N1C(=S)C(c2ccc(-c3cnc(N4CCC(O)CC4)nc3)cc2)=NC12CCCCCC2,INBNDARAGOPGCR-UHFFFAOYSA-N
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-rxn:4:204182:222920,Cc1cc(-c2ccc(S(=O)(=O)NC3CC3)cc2C)c(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)cc1C,NGLLYCLQNROJOZ-UHFFFAOYSA-N
-rxn:4:204353:223829,CCOC(=O)c1nn2c(c1-c1cc(S(=O)(=O)N3CCN(CC)CC3)ccc1C)COCC2,HVDJLLHPGHOYKB-UHFFFAOYSA-N
-rxn:4:204409:223602,CC(=O)CCn1ncc2ccc(-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3Cl)cc2c1=O,IMPUYWWOWUHFPK-UHFFFAOYSA-N
-rxn:4:204454:223541,CC(C)(C)OC(=O)n1ccc2c(-c3cc(F)c(F)cc3S(=O)(=O)N3CCC4(CC3)OCCO4)cncc21,RBBSYJDPPQXFOZ-UHFFFAOYSA-N
-rxn:4:204580:223534,COC(=O)c1cc(-c2cc(OC3CCN(C(=O)OC(C)(C)C)CC3)ncc2F)c2c(c1)ncn2C1CCCC1,XEMAMPYFTACDMA-UHFFFAOYSA-N
-rxn:4:204602:224082,CCC(C(=O)OC(C)(C)C)c1cccc(-c2cnc3c(c2)CCCN3C(=O)OC(C)(C)C)c1,LOZGAOUMGDTCQJ-UHFFFAOYSA-N
-rxn:4:204606:222904,CC(C)(C)OC(=O)Nc1ccc(-c2cc3c(nc2Cl)CN(C(=O)OC(C)(C)C)CC3)cn1,AJDDAEDHCGFJMW-UHFFFAOYSA-N
-rxn:4:204659:225367,CC(C)(C)OC(=O)N1CC2(C1)OCc1cc(-c3cnc(N4CCC(F)(F)CC4)nc3)cnc12,ABDOLBYSPQTZTG-UHFFFAOYSA-N
-rxn:4:204683:223930,Cc1cc2c(cnn2C(=O)OC(C)(C)C)cc1-c1cnc2c(c1)N(C(=O)OC(C)(C)C)CC2(C)C,JIYPJXOLVKHHQK-UHFFFAOYSA-N
-rxn:4:204694:222638,CC(NC(=O)OC(C)(C)C)c1cccc(-c2ccc(N3C(=NC(=O)C4CC4)SC4CS(=O)(=O)CC43)cc2)c1,VTMUJJHHKVTUSK-UHFFFAOYSA-N
-rxn:4:204700:226308,CCc1cc(-c2ccc(C(=O)N3CC(N4C(=O)C5CC=CCC5C4=O)C3)o2)ccc1C(=O)OC,VGWNJKDHXYFZAL-UHFFFAOYSA-N
-rxn:4:204705:224938,O=C(N=C1SC2CS(=O)(=O)CC2N1c1ccc(-c2cccc(COCc3cccs3)c2)cc1Cl)C1CC1,ZNAPKIFAPVKNJH-UHFFFAOYSA-N
-rxn:4:204710:225327,CCCOc1ncc(C(F)(F)F)cc1-c1cnn2c1OC[C@@H](O[Si](C)(C)C(C)(C)C)C2,YFKZKRSJFOYYNB-HNNXBMFYSA-N
-rxn:4:204799:224668,CCN1CCN(c2cc(F)cc(-c3ccc(N4C=C(C(=O)N5CCCC5)S(=O)(=O)c5ccc(F)cc54)cc3)c2)CC1,XLCGIESWWGQXHU-UHFFFAOYSA-N
-rxn:4:204869:227734,Cc1cc(N2C=C(C(=O)N3CCCCC3)S(=O)(=O)c3ccc(Cl)cc32)ccc1-c1cc(Cl)cc([N+](=O)[O-])c1C,IMADIDAWTIDQRZ-UHFFFAOYSA-N
-rxn:4:204884:223079,CC(C)NS(=O)(=O)c1cccc(-c2nc3c(s2)C2CCC(C3)N2C(=O)OC(C)(C)C)c1,OYNNFLLQFONKQJ-UHFFFAOYSA-N
-rxn:4:204947:222845,CC(c1ccc(-c2ccccc2C(=O)N2C(=O)N(c3ccc(Cl)cc3)C3(C)CC2c2ccccc2O3)cc1)N1CCNCC1,CVLCYRZJIGTXJU-UHFFFAOYSA-N
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-rxn:4:205958:223755,CC1CCN(CCCOc2ccc(-c3cc(N4CC(F)(F)C4)ccc3[N+](=O)[O-])cc2F)CC1,NOEGZBUBOYSXEG-UHFFFAOYSA-N
-rxn:4:206439:223595,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(F)c(C(=O)N4CCOCC4)c3)cc2F)CC1,HLKRZIANALDCLI-UHFFFAOYSA-N
-rxn:4:206524:223993,Cc1cc(-c2cncc(S(=O)(=O)N3CCOCC3)c2)ccc1S(=O)(=O)N1CCN(C)CC1,GAVKBWPIHVUFOJ-UHFFFAOYSA-N
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-rxn:4:206714:222582,CS(=O)(=O)N1CCCC1c1ccc(-c2cccc(C(=O)NCCN3CCOCC3)c2)cn1,SQHRQAGUZPTJAR-UHFFFAOYSA-N
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-rxn:4:206829:223893,CCN1CCN(CCOc2cccc(-c3cccc(C(=O)C4CCN(C)CC4)n3)c2)CC1,MKHFPBZOYDLPMQ-UHFFFAOYSA-N
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-rxn:4:207689:223687,Cn1c(=NC(=O)C2=COCCO2)sc2cc(-c3cnc(N4CCN(C(=O)OC(C)(C)C)CC4)nc3)ccc21,JNWLOANMUHXJFS-UHFFFAOYSA-N
-rxn:4:207779:224009,COc1ccc(-c2ccc(S(=O)(=O)N3CCN4CCC3CC4)cc2)cc1S(=O)(=O)N1CCOCC1,KNJWVCZVNIYRKE-UHFFFAOYSA-N
-rxn:4:207828:224589,CC1CCN(Cc2cc(F)ccc2-c2cccc(N3C(=O)N(c4ccc(F)cc4)C4CS(=O)(=O)CC43)c2)CC1,WKSBNSFQKYIFCH-UHFFFAOYSA-N
-rxn:4:207843:225043,CCN1CCN(C2CCCc3cc(-c4ccc(OC5CCCCC5)c(F)c4)ccc32)CC1,REJUVAWJTROAEN-UHFFFAOYSA-N
-rxn:4:207854:225636,CC1CCN(c2cc(-c3ccc4c(c3)CCN4C3CCN(C4CCC4)CC3)ccn2)CC1,BHPRQLRYQOXMIJ-UHFFFAOYSA-N
-rxn:4:207959:223135,Cc1ccc(C2=NN3C(C2)c2cc(-c4cccnc4C4CCCNC4)ccc2OC3C2CCCCC2)cc1,WAQXGEDMQHMTTP-UHFFFAOYSA-N
-rxn:4:207959:226187,Cc1ccc(C2=NN3C(C2)c2cc(-c4cccc(C5CCOCC5)c4)ccc2OC3C2CCCCC2)cc1,YNIOQGYLZFWDGR-UHFFFAOYSA-N
-rxn:4:208591:223481,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3cnc(C4CC4(F)F)cn3)c(F)c2)CC1,ZLPUKHVVHRBJSB-UHFFFAOYSA-N
-rxn:4:209649:223592,Cc1nc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2Cl)cn1C1CCCC1,QNSZLFSIHHHTGP-UHFFFAOYSA-N
-rxn:4:209729:223522,CC1CCCN(c2nc(-c3cc(F)cc(N4CCC(O[Si](C)(C)C(C)(C)C)CC4)c3)cs2)C1,DNTHUEPELCEQPF-UHFFFAOYSA-N
-rxn:4:209881:223748,CC1CN(c2ccc(-c3cc(N4CCCCC4)cc(N4CCCCC4)c3)cn2)CC(C)O1,PQPDRKPELMTYRS-UHFFFAOYSA-N
-rxn:4:211060:224663,CN1CCN(Cc2ccc(-c3ccc4c(c3)CCCC4N3CCN(C)CC3)cc2F)CC1,ZKBDSPDJIYQAGB-UHFFFAOYSA-N
-rxn:4:211101:226447,Cc1ccc(C2=NN3C(C2)c2cc(-c4ccnc(C5CCOCC5)c4)ccc2OC32CCC(C)CC2)cc1,OQJHXTTWFAPJBA-UHFFFAOYSA-N
-rxn:4:212526:223845,CN1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2cc([N+](=O)[O-])ccc2OCCN2CCC(C#N)CC2)CC1,YIFHSRQQVHXLJC-UHFFFAOYSA-N
-rxn:4:212549:223180,CCOC(=O)N1CCN(C(C#N)c2cccc(-c3ccc(C(=O)NOC)c(F)c3)c2)CC1,DAZGHKGPGPCZAR-UHFFFAOYSA-N
-rxn:4:212608:222625,CC(=O)OC(C)(C)C(=O)N1CCCC(Oc2ncc(-c3cccc(C(=O)Nc4ccc(C)cc4)c3)cn2)C1,GPXZMERUZUMREO-UHFFFAOYSA-N
-rxn:4:212609:224179,CN1CCN(CCOc2ccc(-c3nccn3CC3CCN(C(=O)OCc4ccccc4)CC3)cc2)CC1,CPJDDAOKYOCDDA-UHFFFAOYSA-N
-rxn:4:212614:222823,COC(=O)c1cn(Cc2cccc(-c3ccc(S(=O)(=O)NC(C)(C)C)cc3F)c2)nc1S(=O)(=O)N1CCCC1,FIBVPXSEJBBELH-UHFFFAOYSA-N
-rxn:4:212649:223748,CCC(C)(C)C(=O)N1CCCC(COc2ncc(-c3cc(N4CCCCC4)cc(N4CCCCC4)c3)cn2)C1,YVPIEIAQUUMHJW-UHFFFAOYSA-N
-rxn:4:212650:225875,CC(C)(C)CC(=O)N1CCCC(COc2ncc(-c3ccc(N4CCOCC4)cc3Cl)cn2)C1,NBFBEZIJHJWKHL-UHFFFAOYSA-N
-rxn:4:212650:227218,CC(C)(C)CC(=O)N1CCCC(COc2ncc(-c3ccccc3OCCCF)cn2)C1,LKQOIDMNNPAKHO-UHFFFAOYSA-N
-rxn:4:212665:222694,COc1ccccc1S(=O)(=O)N1CCCC(COc2ncc(-c3cccc(S(=O)(=O)NC4CCCCC4)c3)cn2)C1,SZZFYPWMOXEWHL-UHFFFAOYSA-N
-rxn:4:212685:223679,CCN1CCN(S(=O)(=O)c2c(C)cc(-c3ccc(S(=O)(=O)N4CCN(c5ccc(C(=O)OC)cc5[N+](=O)[O-])CC4)cc3)cc2C)CC1,KWSJRINXBOPSHD-UHFFFAOYSA-N
-rxn:4:212691:226355,COc1cc(Cl)c(-c2ccc(C(=O)N(C)C3CCN(C(=O)OC(C)(C)C)CC3)cn2)cc1C1CC1,HEJNHBGPYSGRLF-UHFFFAOYSA-N
-rxn:4:212716:222702,O=C(CSc1ncc(-c2ccc(-c3cc(C4CCCNC4)ccc3C(F)(F)F)cc2)n1-c1ccc(Cl)cc1)N1CCCCC1,XRJZDUVMODRXGN-UHFFFAOYSA-N
-rxn:4:212731:223873,COc1cc(OC)cc(-c2noc(C3CCCN(S(=O)(=O)c4ccc(-c5ccccc5CCC(=O)N5CCC(C)CC5)cc4)C3)n2)c1,TYQHMWBHNYGNNN-UHFFFAOYSA-N
-rxn:4:212736:226817,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cc(-c4ccnc(Cl)n4)cs3)cc2N2CCCC2)CC1,IRCVKTLGJQQPBP-UHFFFAOYSA-N
-rxn:4:212736:226819,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc(-c4ccnc(Cl)n4)s3)cc2N2CCCC2)CC1,FOJVASSOWSBYEU-UHFFFAOYSA-N
-rxn:4:212737:223239,CC(C)(C)OC(=O)N1CCN(c2cc(CN3CCOCC3)cc(-c3cncc(C4CCCN4)c3)c2)CC1,JJXOAZOQOXHJEO-UHFFFAOYSA-N
-rxn:4:212742:225526,CCN(CC)C(=O)c1cccc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3C)c(N3CCCC3)c2)c1,DGWDRGUKLPBWBU-UHFFFAOYSA-N
-rxn:4:212743:224785,CC(C)(C)OC(=O)N1CCC(CN2CCN(c3ccc(-c4ccc(OC(F)(F)F)c5ncccc45)cc3)CC2)CC1,OCYRPUKFRDBSFO-UHFFFAOYSA-N
-rxn:4:212744:224078,CC(C)(C)OC(=O)N1CCN(c2cc(CN3CCC(F)(F)CC3)cc(-c3cccc4c3ccn4[Si](C)(C)C(C)(C)C)c2)CC1,GZJAWUUXAQBKMR-UHFFFAOYSA-N
-rxn:4:212751:227578,COc1cc(OC)c(-c2cc(CN3CCC(F)(F)CC3)cc(N3CCN(C(=O)OC(C)(C)C)C(C)C3)c2)cc1Cl,SGIGYWNXOJLPJG-UHFFFAOYSA-N
-rxn:4:212806:223040,COCCn1c(=NC(=O)c2ccc(N3C(=O)CCC3=O)cc2)sc2cc(-c3ccc(C(=O)NC4CC4)c(F)c3)ccc21,NCSXLAUFVHMQJA-UHFFFAOYSA-N
-rxn:4:212814:223222,CC(=O)NCc1ccc(-c2c3c(nn2C(=O)OC(C)(C)C)C(C)(C)N(C(=O)OC(C)(C)C)C3)cc1,GEGBLLPUMOIBGI-UHFFFAOYSA-N
-rxn:4:212824:222948,COc1cc(C(=O)N2CCN(c3nc4ccc(-c5cnc(N6CCC(O)CC6)nc5Cl)cc4s3)CC2)cc(OC)c1OC,FKDBDHAIBDXZPW-UHFFFAOYSA-N
-rxn:4:212824:223178,CONC(=O)c1ccc(F)c(-c2ccc3nc(N4CCN(C(=O)c5cc(OC)c(OC)c(OC)c5)CC4)sc3c2)c1,KYGOXUYBIUSYDY-UHFFFAOYSA-N
-rxn:4:212839:228234,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4c(C5CC5)ccnc4F)ccn23)CC1,SJCVICAJFLTBBR-UHFFFAOYSA-N
-rxn:4:212973:226088,CCN(CC)Cc1ccc(-c2cccnc2OC2CCN(C(=O)CN3CCOC3=O)C2)cc1,ZWKCBXGVICHCLY-UHFFFAOYSA-N
-rxn:4:212988:223180,CONC(=O)c1ccc(-c2nc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cs2)cc1F,OTEOQSVFNLJISS-UHFFFAOYSA-N
-rxn:4:212989:223255,CONC(=O)c1cccc(-c2ncc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)s2)c1,WCVPLEXLMPQQGO-UHFFFAOYSA-N
-rxn:4:212989:225977,CC(C)(C)OC(=O)N1CCN(C(=O)c2cnc(-c3cc(Cl)cnc3N3CCOCC3)s2)CC1,KWNBNDBVFBLIMZ-UHFFFAOYSA-N
-rxn:4:212998:223659,COc1ccc(-c2cnn(CC3CCN(C(=O)OC(C)(C)C)CC3)c2)c(C(=O)N2CCC(Oc3nncs3)CC2)c1,MFMDCVQYCWLSGY-UHFFFAOYSA-N
-rxn:4:213009:224719,CC(C)c1nn(C(=O)OC(C)(C)C)cc1-c1cnc(OC2CCN(S(=O)(=O)Cc3cc(F)ccc3F)C2)nc1,WILFNXLUACZNLY-UHFFFAOYSA-N
-rxn:4:213011:225898,CC(C)C(=O)N1CCCC(COc2ncc(-c3cnn(CCN4CCOCC4)c3)cn2)C1,SDHMOAIVTJTERP-UHFFFAOYSA-N
-rxn:4:213012:224325,CC(C)CC(=O)N1CCC(Oc2ncc(-c3ccc(C4=CCN(S(C)(=O)=O)CC4)cc3)cn2)CC1,HEKQXBJZNGIKGG-UHFFFAOYSA-N
-rxn:4:213013:222546,CCC(C)C(=O)N1CCC(Oc2ncc(-c3ccc(OCCNC4CCCCC4)c(F)c3)cn2)CC1,QEFXVLDZNGOATO-UHFFFAOYSA-N
-rxn:4:213028:224986,N#Cc1cc(N2CCCCC2)ccc1-c1ccc(Cl)c(C(=O)N2CCC(Oc3ncccc3C#N)CC2)c1,QFFIDUNAOZZUGV-UHFFFAOYSA-N
-rxn:4:213053:224746,CC(=O)N1CCN(c2ccc(-c3cnc(OCC4CCCN(C(=O)C5CC(F)(F)C5)C4)nc3)cn2)CC1,WBOGBIBGTZDJID-UHFFFAOYSA-N
-rxn:4:213062:224826,CCOC(=O)c1cc(-c2cnc(OC3CCN(C(=O)Cc4ccc(F)cc4F)CC3)nc2)cnc1C(F)(F)F,RHBXSUJIQJAGRP-UHFFFAOYSA-N
-rxn:4:213062:225219,CC1CCCCN1c1cc(F)c(-c2cnc(OC3CCN(C(=O)Cc4ccc(F)cc4F)CC3)nc2)cn1,CNGMFPTTZICAQI-UHFFFAOYSA-N
-rxn:4:213075:224672,CCN1CCN(c2ccc(-c3cccc(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)n3)c(Cl)c2)CC1,PAWAFMHNEAXJDS-UHFFFAOYSA-N
-rxn:4:213076:223886,CC(C)N(C(C)C)S(=O)(=O)c1ccc(-n2cc(-c3cccc4c3CCN(C(=O)OC(C)(C)C)C4)cn2)cc1,RRYNPNILNYSJLA-UHFFFAOYSA-N
-rxn:4:213100:227740,Cc1cc(-c2cn(C3CCN(C(=O)OC(C)(C)C)CC3)nc2C(F)(F)F)cc(C(F)(F)F)n1,MUVYCCXYOJCUGF-UHFFFAOYSA-N
-rxn:4:213123:222711,COc1ccc(-c2ccccc2CC(=O)N2CCN(c3ccnc(C(F)(F)F)c3)C(=O)C2)cc1S(=O)(=O)NC(C)(C)C,GVLBNIADBCYVAE-UHFFFAOYSA-N
-rxn:4:213123:224287,CCN(CC)S(=O)(=O)c1c(C)cc(-c2ccccc2CC(=O)N2CCN(c3ccnc(C(F)(F)F)c3)C(=O)C2)cc1C,YHVHGMKSSINSDM-UHFFFAOYSA-N
-rxn:4:213123:224782,CN1CCN(c2cc(-c3ccccc3CC(=O)N3CCN(c4ccnc(C(F)(F)F)c4)C(=O)C3)cc(F)c2F)CC1,WWMGVUBVVWBJSD-UHFFFAOYSA-N
-rxn:4:213123:225223,CC1CCN(c2cc(F)c(-c3ccccc3CC(=O)N3CCN(c4ccnc(C(F)(F)F)c4)C(=O)C3)cn2)CC1,DCPIEMZWSMABJV-UHFFFAOYSA-N
-rxn:4:213123:225672,O=C(Cc1ccccc1-c1cc(F)nc(C2CCCCC2)c1)N1CCN(c2ccnc(C(F)(F)F)c2)C(=O)C1,XAWWOZUPTKUCEH-UHFFFAOYSA-N
-rxn:4:213123:226366,O=C(Cc1ccccc1-c1ccnc(N2CCCCC2)c1)N1CCN(c2ccnc(C(F)(F)F)c2)C(=O)C1,UVEBKIBOUDHIOU-UHFFFAOYSA-N
-rxn:4:213123:226578,CN(C)C(=O)c1ccc(-c2ccccc2CC(=O)N2CCN(c3ccnc(C(F)(F)F)c3)C(=O)C2)cc1Cl,HERVLUYXVCTZKH-UHFFFAOYSA-N
-rxn:4:213123:226763,COC(=O)c1c(F)cc(-c2ccccc2CC(=O)N2CCN(c3ccnc(C(F)(F)F)c3)C(=O)C2)cc1F,YEXNEFOHDFMWHX-UHFFFAOYSA-N
-rxn:4:213123:226853,COc1ccc(Cl)c(-c2ccccc2CC(=O)N2CCN(c3ccnc(C(F)(F)F)c3)C(=O)C2)c1[N+](=O)[O-],RDJOZSKPRDYRGY-UHFFFAOYSA-N
-rxn:4:213126:223939,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc4c(c3)N(C(=O)OC(C)(C)C)CCO4)nc2)CC1,WIZPKOWZRNWIFF-UHFFFAOYSA-N
-rxn:4:213126:226107,Cc1cc(OCC2CC2)cc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)cn2)c1,HJWLKGJWGFHDOM-UHFFFAOYSA-N
-rxn:4:213136:224075,CC(C)(C)[Si](C)(C)n1ccc2ccc(-c3cnc(OCC4CCCN(CC5CCCO5)C4)nc3)cc21,HCOYICQXTDUBLL-UHFFFAOYSA-N
-rxn:4:213150:222622,CCC(C)c1cc(-c2ccc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)nc2)cc(C2CCCNC2)n1,FAZLZETUMNMNSS-UHFFFAOYSA-N
-rxn:4:213158:225380,COc1cc(=O)n(C)cc1C(=O)N1CCC(Oc2ccncc2-c2ccc(C(F)(F)F)cc2C(F)(F)F)C1,BFUGGSHNCUEEKB-UHFFFAOYSA-N
-rxn:4:213163:227218,O=C(C1CCCC1)N1CCC(COc2ncc(-c3ccccc3OCCCF)cn2)CC1,PVJSPZLWNAQTJA-UHFFFAOYSA-N
-rxn:4:213163:228301,CCOC(=O)c1sccc1-c1cnc(OCC2CCN(C(=O)C3CCCC3)CC2)nc1,TZJKLUVYZHMQEI-UHFFFAOYSA-N
-rxn:4:213167:225209,Cc1nc(N2CCCCC2C)ncc1-c1ccc(OCc2nc(C#N)c(N3CC(C)CC(C)C3)o2)cc1,QIMROIYSZODLED-UHFFFAOYSA-N
-rxn:4:213169:224726,CCN(CC)S(=O)(=O)c1ccc(-c2ccc(-c3ccc(SCC(=O)N4CCCCCC4)nn3)cc2)cc1C,PIDMANGSNCZNKC-UHFFFAOYSA-N
-rxn:4:213172:222700,Cn1ccnc1SCC1CCN(S(=O)(=O)c2ccc(-c3ccc(C(F)(F)F)cc3C3CCCNC3)cc2)CC1,WPSXIZZKWVIWDU-UHFFFAOYSA-N
-rxn:4:213179:225361,Cc1ccc(OCC2CCN(C(=O)c3cccc(-c4cn(C5CCCC5)nc4C(F)(F)F)c3)CC2)nn1,KQKYOBFOSCRBID-UHFFFAOYSA-N
-rxn:4:213187:223814,O=C(c1ccc(-c2ccc(CN3CCC4(CC3)OCCO4)cc2F)o1)N1CCN(Cc2nc(-c3ccc(F)cc3)cs2)CC1,ADHXJHPUKJHMMK-UHFFFAOYSA-N
-rxn:4:213188:226539,CCOC(=O)c1ccc(Cl)cc1-c1ccccc1C(=O)N1CCC(N2CC(=O)N(CC(F)(F)F)C2=O)CC1,ADRDMMDYWMNBRK-UHFFFAOYSA-N
-rxn:4:213198:225433,CCn1cc(S(=O)(=O)N2CCSC2c2ccc(OC)c(-c3ccc(CSC4CCCC4)cc3)c2)nc1C,QNWIKESGOFKFNR-UHFFFAOYSA-N
-rxn:4:213203:224015,Cc1ccc(OCC2CCN(S(=O)(=O)c3ccc(-c4cc(S(=O)(=O)N5CCOCC5)c(C)cc4F)cc3)CC2)nn1,KEIPOIYGFRPPSK-UHFFFAOYSA-N
-rxn:4:213205:222723,Cc1cnc(OCC2CCCN(S(=O)(=O)c3ccc(-c4cccc(NS(=O)(=O)N5CCOCC5)c4)cc3)C2)nc1,YBUCPDGILRIIEI-UHFFFAOYSA-N
-rxn:4:213215:223279,c1nc(OCC2CCN(CC3CCOCC3)CC2)ncc1-c1cnc(C2CCCN2)nc1,VOTFPJMGIDDGHG-UHFFFAOYSA-N
-rxn:4:213242:222466,O=[N+]([O-])c1cccc(C2CC(c3ccc(-c4cc(C5CCCCC5)nc(C5CCNCC5)c4)cc3)=NN2S(=O)(=O)c2ccccc2)c1,XHPSONVGTWYRMB-UHFFFAOYSA-N
-rxn:4:213261:226868,FC(F)(F)CN1CCN(Cc2ccc(-c3ccc(OC(F)(F)F)c(Cl)c3)cc2N2CCOCC2)CC1,HUEIWPVXCLSLFN-UHFFFAOYSA-N
-rxn:4:213264:224588,CC1CCN(Cc2cc(F)cc(-c3ccc(CC(=O)N4CCC(n5nc(C6CC6)ccc5=O)CC4)cc3)c2)CC1,GPPIDOXJVGLNIY-UHFFFAOYSA-N
-rxn:4:213272:224061,CCCC1CCC(c2ccc(-c3ccc(OC4CCN(C(=O)c5ccc(N6CCOCC6)cc5)C4)nc3)c(F)c2)CC1,SEHCKVPBMQEXDB-UHFFFAOYSA-N
-rxn:4:213281:227616,Cc1cnn(-c2ccc(-c3cccnc3OC3CCN(C(=O)C4CCN(S(C)(=O)=O)CC4)CC3)s2)c1,CRTPQFWNJLYVQW-UHFFFAOYSA-N
-rxn:4:213320:226281,COC(=O)c1nc(-c2ccc(CC(=O)N(C)C)cc2)n2c1CN(C(=O)OC(C)(C)C)CC2,UJCAHDVRHJERDT-UHFFFAOYSA-N
-rxn:4:213320:227023,COC(=O)c1nc(-c2ccc(C(C)N(C)C)cc2)n2c1CN(C(=O)OC(C)(C)C)CC2,JIRVMZDNSGKKQL-UHFFFAOYSA-N
-rxn:4:213349:224484,CC(C)N(C(=O)c1ccccc1-c1nn(Cc2ccccc2)c2c1CN(C(=O)OC(C)(C)C)C2)C(C)C,CMTHKNMJCRZKFV-UHFFFAOYSA-N
-rxn:4:213363:222584,COc1ccc2sc(OC3CCN(C(=O)c4cncc(-c5ccc(OCCCN6CCNCC6)c(F)c5)c4)CC3)nc2c1,WADWLXBFNJILSS-UHFFFAOYSA-N
-rxn:4:213383:224317,CCOc1ccc(C(=O)N2CCN(c3nc4ccc(-c5ccc(C(=O)N6CCN(C)CC6)cc5F)cc4s3)CC2)cc1,WKNPVCZNIYEVHQ-UHFFFAOYSA-N
-rxn:4:213389:224485,CCCCn1c(C2CC(=O)N(c3ccccc3-c3ccn([Si](C(C)C)(C(C)C)C(C)C)c3)C2)nc2ccccc21,APYKJPNZSPEYHO-UHFFFAOYSA-N
-rxn:4:213412:227716,CC(C)CS(=O)(=O)C1CCN(C(=O)c2c3ccc(-c4cccc(F)c4OC(F)F)cc3nn2C)CC1,JXZPYPZNVPCLDZ-UHFFFAOYSA-N
-rxn:4:213427:225344,CC(C)Oc1ncc(C(F)(F)F)cc1-c1ccc(-n2c(SCC(=O)N3CCCc4ccccc43)nc3c(c2=O)SCC3)cc1,QFEIEVVDVIZADD-UHFFFAOYSA-N
-rxn:4:213440:224828,CCOc1cc(OC(F)(F)F)cc(-c2ccc3ccn(CC(=O)N4CCN(C(=O)C5COc6ccccc6O5)CC4)c3c2)c1F,SWXXMWFUPRUFAO-UHFFFAOYSA-N
-rxn:4:213450:222887,Cc1nc2ccc(-c3cccc(C(=O)N4CCNCC4)c3)cc2c(-c2ccccc2)c1C1=NN(C(=O)C(C)C)C(c2ccccc2F)C1,YMXLHUOIROQSPZ-UHFFFAOYSA-N
-rxn:4:213460:222776,CN(C)CCCN1C(=O)c2oc3ccc(-c4ccc(CN5CCC(O)CC5)cc4F)cc3c(=O)c2C1c1ccncc1,ALMDFSRHFDGEFI-UHFFFAOYSA-N
-rxn:4:213626:222638,CC(NC(=O)OC(C)(C)C)c1cccc(-c2cnn(C3CN(C(=O)OC(C)(C)C)C3)c2)c1,ZEADBIZSKDOXEW-UHFFFAOYSA-N
-rxn:4:213638:223992,Cc1ccc(-c2cnn(CC3CN(C(=O)C4CC(F)(F)C4)C3)c2)cc1S(=O)(=O)N1CCN(C)CC1,ZMZDEJDJCKFKND-UHFFFAOYSA-N
-rxn:4:213671:224663,CN1CCN(Cc2ccc(-c3ccc(CN4CCN(CC(F)(F)F)CC4)cn3)cc2F)CC1,PGBUKEINDOLTIS-UHFFFAOYSA-N
-rxn:4:213692:222634,CC(C(=O)N1CCC(C(F)(F)F)CC1)n1cc(-c2ccc(OCCNC3CCCC3)c(F)c2)cn1,BBIFOIUGYJQENL-UHFFFAOYSA-N
-rxn:4:213692:225867,CC(C(=O)N1CCC(C(F)(F)F)CC1)n1cc(-c2cnc(Cl)c(N3CCCCC3)c2)cn1,PFGBNWBKZICLNS-UHFFFAOYSA-N
-rxn:4:213754:222779,CCN1CCN(Cc2cc([N+](=O)[O-])ccc2-c2ccncc2CNC(=O)OC(C)(C)C)CC1,NZRIRHQXDYPKPM-UHFFFAOYSA-N
-rxn:4:213755:224323,Cc1cc(-c2csc(N3CCN(C(=O)OC(C)(C)C)CC3)n2)cc(C)c1S(=O)(=O)N1CCCC1,CJMCROSUASGDEP-UHFFFAOYSA-N
-rxn:4:213758:224391,Cc1cc(S(=O)(=O)N2CCOCC2)ccc1-c1cnc(CCC2CCCCN2S(C)(=O)=O)cn1,JRPXPJSBEFJQFJ-UHFFFAOYSA-N
-rxn:4:213766:224746,CC(=O)N1CCN(c2ccc(-c3coc(N4CCN(C(=O)OC(C)(C)C)CC4)n3)cn2)CC1,OMROIGIBTKXUDF-UHFFFAOYSA-N
-rxn:4:213798:225883,CC(C)(C)OC(=O)N1CCOC(c2cnc(-c3cnc(C4CCOCC4)c(Cl)c3)cn2)C1,XORJJGMGGRYZIF-UHFFFAOYSA-N
-rxn:4:213892:225898,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2cnn(CCN3CCOCC3)c2)CC1,CQJJWYJQVHPPES-UHFFFAOYSA-N
-rxn:4:213892:225980,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2cc(N3CCOCC3)ncc2F)CC1,VVQPDARWLJFRME-UHFFFAOYSA-N
-rxn:4:213893:222462,CC(C)(C)OC(=O)Nc1nc2cc(F)c(-c3cncc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)c(F)c2s1,VGHOEWCIXDRISW-UHFFFAOYSA-N
-rxn:4:213899:223093,COC(=O)c1nc(N2CCN(C(C)C)CC2)ccc1-c1cncc(NS(=O)(=O)C(C)C)c1,KMOFMSIDARPQMR-UHFFFAOYSA-N
-rxn:4:213910:223175,CCS(=O)(=O)Nc1cccc(-c2cccnc2OC2CCN(S(=O)(=O)N3CCOCC3)C2)c1,QJVXBCAODPRWGX-UHFFFAOYSA-N
-rxn:4:213942:225379,Cc1nn(C2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1,RETCDYCAMOSIQZ-UHFFFAOYSA-N
-rxn:4:213949:224398,Cc1cc(C)n(CC2CCN(C(=O)c3ccc(-c4cc(S(=O)(=O)N5CCCC5)c(C)cc4F)o3)CC2)n1,HKZOKIFHKVDPJV-UHFFFAOYSA-N
-rxn:4:213980:223106,CC1CN(C(=O)OC(C)(C)C)CCC1c1nccc(-c2cnc(N3CCC(O)C3)nc2Cl)n1,INGRMBROSPBAKZ-UHFFFAOYSA-N
-rxn:4:213990:224280,Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1-c1cc2c(s1)CCN(C(=O)OC(C)(C)C)C2,ATHBQEKAUYWYMD-UHFFFAOYSA-N
-rxn:4:213990:226327,Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1-c1ccc(C2(C#N)CC2)cc1Cl,ARUOFKCXAFJGRB-UHFFFAOYSA-N
-rxn:4:213997:223180,CONC(=O)c1ccc(-c2cnccc2N2CCN(C(=O)OC(C)(C)C)C(C)C2)cc1F,IZSAXUOOBQOMKQ-UHFFFAOYSA-N
-rxn:4:214003:225324,CC(C)CCn1cc(-c2cccnc2OC2CCN(C(=O)C3CC(=O)N(C)C3)CC2)c(C(F)(F)F)n1,LDHNXNAHLUEMEJ-UHFFFAOYSA-N
-rxn:4:214008:225294,CCN1CCN(c2ncc(-c3nc(C(=O)N4CCN(c5ccc(F)cc5)CC4)c(C(C)C)s3)cn2)CC1,CFQJQNYCHQFURD-UHFFFAOYSA-N
-rxn:4:214026:225518,CCCCCOc1ncc(C)cc1-c1cc(C(F)(F)F)cnc1N1CCCC(C(=O)N2CCOCC2)C1,BFXKMLRWHAKYAP-UHFFFAOYSA-N
-rxn:4:214028:224065,CC1CCN(c2cc(-c3cc(C(F)(F)F)cnc3N3CCOC(C(=O)N4CCCCC4)C3)cc(C3CC3)c2)CC1,HMLMEQPZLQUCGK-UHFFFAOYSA-N
-rxn:4:214029:228166,CCOc1cc(Cl)cc(-c2cnc(N3CCCC(C(=O)N4CCSCC4)C3)c(C(F)(F)F)c2)c1,WOIHTLDDEUTQGN-UHFFFAOYSA-N
-rxn:4:214033:223242,CC(C)[C@H]1COC(c2cc(-c3ccnc(C4CCNC4)c3)cc(C3=N[C@@H](C(C)C)CO3)n2)=N1,IFPDSBQIBQSFBU-VBTAZDKBSA-N
-rxn:4:214037:225896,COCCOc1cc(-c2ccc(N3CC(C(=O)N4CCN(S(C)(=O)=O)CC4)CC3=O)cc2)c(F)cc1F,PTAJOLSWTPSOFW-UHFFFAOYSA-N
-rxn:4:214038:222729,CCCc1cc(-c2cnc(OC3CCCN(S(=O)(=O)c4ccc(C)c(C)c4)C3)nc2)cc(C2CCCNC2)n1,WDHTVVYTHVAUCJ-UHFFFAOYSA-N
-rxn:4:214074:223138,Cc1nn(S(=O)(=O)c2ccc(-c3ccnc(C4CCNCC4)c3)cc2)c(C)c1S(=O)(=O)N1CCCC(C)C1,IGCJLLBWFXJVEW-UHFFFAOYSA-N
-rxn:4:214085:224600,Cc1ccc(-c2cc(F)c(-c3ccc(C=C4N=C(C5CCCCC5)N(c5cc([N+](=O)[O-])ccc5C)C4=O)cc3)cc2F)cc1,HAABGKOYOVODBL-UHFFFAOYSA-N
-rxn:4:214146:225910,CCOc1cc(C(F)(F)F)ccc1-c1c(C(F)(F)F)nc2n1CCN(C(=O)OC(C)(C)C)C2,QNTRMGYRUBVXBV-UHFFFAOYSA-N
-rxn:4:214201:226484,COCCOc1cc(Cl)ccc1-c1ccc(N2CC3CC(C2)N3C(=O)OC(C)(C)C)nc1,BZWTZEZQUBTRTE-UHFFFAOYSA-N
-rxn:4:214221:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2ccc3nc([C@@H]4CCCN4C(=O)OC(C)(C)C)[nH]c3c2)cc1,AKDDXPFUHZQEMV-QFIPXVFZSA-N
-rxn:4:214230:224668,CCN1CCN(c2cc(F)cc(-c3cnc4c(C5=CCN(C(=O)OC(C)(C)C)CC5)c[nH]c4c3)c2)CC1,VZFWHYAIQYALAC-UHFFFAOYSA-N
-rxn:4:214231:225978,CC(C)(C)OC(=O)N1CCOC(c2cn3c(-c4ccc(N5CCOCC5)nc4F)cccc3n2)C1,YYSCIMBBIOLAKU-UHFFFAOYSA-N
-rxn:4:214235:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2ccc(CC(=O)N3C4CCC3CC(n3ccnc3)C4)cc2)cc1,DIZTYBJRQVZDRW-UHFFFAOYSA-N
-rxn:4:214334:223835,Cc1cc(F)c(-c2ccccc2S(=O)(=O)n2ccc3c(CN4CCN(C)CC4)cccc32)cc1S(=O)(=O)N1CCC(C)CC1,SXNJGPJEXYHNRI-UHFFFAOYSA-N
-rxn:4:214336:223178,CONC(=O)c1ccc(F)c(-c2ccc(CN3CCC(N(C)C4=NS(=O)(=O)c5ccccc54)CC3)cc2)c1,POSXTUZJBVEAJG-UHFFFAOYSA-N
-rxn:4:214586:222584,CC(=O)N1CCC(Oc2cnc(-c3ccc(OCCCN4CCNCC4)c(F)c3)cn2)C1,OLXUPBQYCHIZKZ-UHFFFAOYSA-N
-rxn:4:214622:223582,COC(=O)c1ccc2cc(-c3ccc(N4CCC(C#N)CC4)c([N+](=O)[O-])c3)n(C(=O)OC(C)(C)C)c2c1,KNJBABNIBBRFLZ-UHFFFAOYSA-N
-rxn:4:214629:223712,COc1ccc(-c2cnc(CCC3CCCN3C)cn2)cc1C12CC3CC(CC(C3)C1)C2,GVEKOQOQTLNNKB-UHFFFAOYSA-N
-rxn:4:214652:224796,CN(c1ncc(-c2cncc(S(=O)(=O)OCC(C)(C)C)c2)cc1[N+](=O)[O-])C1CCOCC1,RZYNNTAVHJHIHT-UHFFFAOYSA-N
-rxn:4:214678:223583,CCN1CCN(C(=O)c2cc(-c3cn(C(=O)OC(C)(C)C)c4cc(C(=O)OC)ccc34)cnc2Cl)CC1,HXFZUEALAXFJJV-UHFFFAOYSA-N
-rxn:4:214694:224721,Cc1nn(CC(=O)OC(C)(C)C)c(C)c1-c1cnn(CC2CN(C(C)C)CCO2)c1,FCRGVYCRUXDFRF-UHFFFAOYSA-N
-rxn:4:214742:224193,CCN1CCN(Cc2cc(-c3cc(N4CCC(N(C)C)CC4)ccc3C#N)ccc2F)CC1,OOYVKWDUQNSDFT-UHFFFAOYSA-N
-rxn:4:214745:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(C#N)c(N4CCC(N(C)C)CC4)c3)c2)CC1,DZWATYDFPQYQTG-UHFFFAOYSA-N
-rxn:4:214764:222722,CC(C)CN1CCN(c2cncc(-c3cccc(S(=O)(=O)N4CCC(O)CC4)c3)c2)CC1,BXPBUPPQEWCKRJ-UHFFFAOYSA-N
-rxn:4:214802:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cccnc3N3CCOC(C(=O)N4CCCC4)C3)c(F)c2)CC1,XTJLHSVQHVTRAE-RSSXGHEXSA-N
-rxn:4:214820:226981,CCCCCCc1ccsc1-c1cnc(N2CCOC(C(=O)N3CCCC3)C2)c(F)c1,YDVXYGOGWGEKHA-UHFFFAOYSA-N
-rxn:4:214832:223696,COc1ccccc1N1CCN(c2ccc(-c3ccc(S(=O)(=O)N4CCC5(CC4)OCCO5)cc3)cn2)CC1,IMQIYLXWQGINQK-UHFFFAOYSA-N
-rxn:4:214835:226255,CCCCOc1ccc(Cl)cc1-c1cc(Cl)cnc1N1CCOC(C(=O)N2CCOCC2)C1,DHTIGZUAHAQGAL-UHFFFAOYSA-N
-rxn:4:214836:226255,CCCCOc1ccc(Cl)cc1-c1cc(Cl)cnc1N1CCOC(C(=O)N2CCSCC2)C1,HBZHHWQLFQTCRF-UHFFFAOYSA-N
-rxn:4:214836:226259,CCCCOc1ccc(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCSCC3)C2)cc1Cl,PQCGRXHFOHSKGM-UHFFFAOYSA-N
-rxn:4:214837:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cnc(N4CCOC(C(=O)N5CCSCC5)C4)c(Cl)c3)ccn2)CC1,QRIULGYAVXMSGK-UHFFFAOYSA-N
-rxn:4:214837:226231,CCCCOc1ncc(-c2cnc(N3CCOC(C(=O)N4CCSCC4)C3)c(Cl)c2)cc1C,MTAPWXYUFXIMMP-UHFFFAOYSA-N
-rxn:4:214867:226236,CCCCOc1ncc(C)cc1-c1cnc(N2CCOC(C(=O)N3CCCC3)C2)c(C)c1,HSZYDXUHMQYFJE-UHFFFAOYSA-N
-rxn:4:214870:227480,CCCOc1nccc(-c2cc(Cl)cnc2N2CCCC(C(=O)N3CCOCC3)C2)c1Cl,KKCXSUBJXNGYQJ-UHFFFAOYSA-N
-rxn:4:214883:227537,COC(=O)c1cc(Cl)cc(-c2cnccc2N2CCC(C(=O)N3CCC(F)(F)CC3)CC2)c1,ADQKVHUHGZXZQA-UHFFFAOYSA-N
-rxn:4:214884:222821,CC(C)(C)NS(=O)(=O)c1cc(-c2cc(Cl)cnc2N2CCC(C(=O)N3CCC(F)(F)CC3)CC2)ccc1F,AJQBCFGZRQBOOZ-UHFFFAOYSA-N
-rxn:4:214888:222522,COc1ccc(-c2cncc(C(=O)N3CCC4(CC3)OC(=O)N(c3ccccc3)C4=O)c2)cc1S(=O)(=O)N1CCC(O)CC1,WKMVSEUCPAWYSH-UHFFFAOYSA-N
-rxn:4:214890:225605,Cc1cnc(OC2CCCC2)c(-c2cncc(C(=O)N3CCCN(C4CCSCC4)CC3)c2)c1,ANDXLWGXRWZIDS-UHFFFAOYSA-N
-rxn:4:214894:223634,CCN(Cc1ccccc1)C(=O)c1cc(-c2ccc(CN3CCN(C)CC3)c(N3CCOCC3)c2)ccc1F,YHVOMAIDKMSRAW-UHFFFAOYSA-N
-rxn:4:214896:226086,CCCCCOc1cccc(-c2cnc(N3CCC(C(=O)N4CCC(F)(F)CC4)CC3)c(C)c2)c1,PLFYRCNTFMUOIJ-UHFFFAOYSA-N
-rxn:4:215054:223575,CC(C)(C)OC(=O)N1CCN(Cc2ccccc2-c2ncn3c2CCN(C(=O)OC(C)(C)C)C3=O)CC1,CWPQINGPPOJFPT-UHFFFAOYSA-N
-rxn:4:215062:222823,CC(C)(C)NS(=O)(=O)c1ccc(-c2ncc3n2CCN(C(=O)OC(C)(C)C)C3)c(F)c1,ZDZAPLPCSVQSKG-UHFFFAOYSA-N
-rxn:4:215067:222514,COc1ccc(-c2n[nH]c3c2CN(C(=O)OC(C)(C)C)C3C)cc1S(=O)(=O)NC1CCCCC1,IPAWYHLYEPBWOA-UHFFFAOYSA-N
-rxn:4:215075:224773,Cc1cc(-c2cnn(C3CC4CCC(C3)N4CC(F)(F)F)c2)ccc1S(=O)(=O)N1CCCC1,LDLCPXCJUUMESP-UHFFFAOYSA-N
-rxn:4:215076:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc4[nH]c(C(=O)N5CCC(C#N)CC5)cc4c3)c2)CC1,HYCYVNLJLYTAPD-UHFFFAOYSA-N
-rxn:4:215085:224400,Cc1nn(C(=O)CN2C(=O)c3ccccc3C2=O)c(C)c1-c1ccc(N2CCOCC2)c(C(F)(F)F)c1,JZBSUHWRAXMQGR-UHFFFAOYSA-N
-rxn:4:215087:223594,COc1cc(C)c(-c2cc(Cl)cc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1S(=O)(=O)n1nnc2ccccc21,XUXSZQJDYCNMIM-UHFFFAOYSA-N
-rxn:4:215096:222913,CC1c2cnc(-c3ccc(CNS(=O)(=O)C4CC4)cc3)n2CCN1C(=O)OC(C)(C)C,SAYWIQJLHDNCFJ-UHFFFAOYSA-N
-rxn:4:215105:223882,Cc1cccc2c1cc(-c1n[nH]c3c1CN(C(=O)OC(C)(C)C)C3(C)C)n2C(=O)OC(C)(C)C,VOJDNDYCSZCEPR-UHFFFAOYSA-N
-rxn:4:215148:223775,COc1ccc2c(c1)c(-c1ncc3n1CC(C)(C)N(C(=O)OC(C)(C)C)C3)cn2C(=O)OC(C)(C)C,YUEREYUYJBQODB-UHFFFAOYSA-N
-rxn:4:215148:224060,COc1c(C(C)(C)C)cc(-c2ncc3n2CC(C)(C)N(C(=O)OC(C)(C)C)C3)cc1C(C)(C)C,JRMJMVYQGVZPCY-UHFFFAOYSA-N
-rxn:4:215166:224400,O=C(c1ccccc1-c1ccc(N2CCOCC2)c(C(F)(F)F)c1)N1C2CCC1CC(n1cccn1)C2,YAVXEYWCWRWEIO-UHFFFAOYSA-N
-rxn:4:215216:223174,CCS(=O)(=O)Nc1ccc(-c2ccc3nc(N4CCCC(C(=O)N5CCOCC5)C4)sc3c2)cc1,PXNNRULRAVIRQL-UHFFFAOYSA-N
-rxn:4:215226:223959,CCN1CCN(C(=O)c2cc(-c3ccc(N4OC5C(=O)N(c6ccccc6)C(=O)C5C4c4cccnc4)cc3)ccc2Cl)CC1,HSNNYQFELAQKJB-UHFFFAOYSA-N
-rxn:4:215277:223977,COc1ccc(C2=NN3C(C2)c2cc(-c4cc(C(F)(F)F)ccc4C(=O)OC(C)(C)C)ccc2OC3c2ccncc2)cc1,RSKKPFIIMWGOLO-UHFFFAOYSA-N
-rxn:4:215304:224485,Cc1ccc(C2=NN3C(C2)c2cc(-c4ccn([Si](C(C)C)(C(C)C)C(C)C)c4)ccc2OC32CCN(Cc3ccccc3)CC2)cc1,HQKFZWWEEZEARQ-UHFFFAOYSA-N
-rxn:4:215750:223492,Cc1cc(-c2nc(-c3cnc(C4CCC4)nc3)cs2)ccc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,GGWUBZMPEFBVIR-UHFFFAOYSA-N
-rxn:4:215898:223831,COc1ccc(-c2cnc(C3CCN(S(C)(=O)=O)CC3)cn2)cc1S(=O)(=O)N1CCC(C)CC1,IRIKMNAJPZUSBA-UHFFFAOYSA-N
-rxn:4:215906:222695,Cc1ccc(-c2cncc(S(=O)(=O)N3CCN(C)CC3)c2)cc1S(=O)(=O)NC1CCCC1,OTWJMRHAXCZDBN-UHFFFAOYSA-N
-rxn:4:215908:223823,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cncc(N4CCN(S(C)(=O)=O)CC4)c3)cn2)CC1,DGTOMMPFYAZPAR-UHFFFAOYSA-N
-rxn:4:215911:224321,CC1CCN(S(=O)(=O)c2cccc(-c3cc(N4CCN(C)CC4)c([N+](=O)[O-])cc3F)c2)CC1,CZKMGSRLOYGWAI-UHFFFAOYSA-N
-rxn:4:215926:223529,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cc(N4CCCCC4)nc(C4CC4)n3)cc2F)CC1,XYJYDVCKWRXRTO-UHFFFAOYSA-N
-rxn:4:215926:223834,Cc1cc(-c2cc(N3CCCCC3)nc(C3CC3)n2)cc(C)c1S(=O)(=O)N1CCN(C)CC1,KSZOGIGZQZEUMA-UHFFFAOYSA-N
-rxn:4:215943:223785,CCN1CCN(CCOc2ccc(-c3ccnc(N4CCC(N(C)C)CC4)c3)cc2Cl)CC1,CUCHBPDYEJOPLW-UHFFFAOYSA-N
-rxn:4:215945:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3cc(N4CCC(N(C)C)CC4)ccn3)cc2)CC1,RQGXUPKVYLUQOX-UHFFFAOYSA-N
-rxn:4:215956:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3cncc(N4CCC(N(C)C)CC4)c3)cc2)CC1,OXVQRDNUQRSNKE-UHFFFAOYSA-N
-rxn:4:216283:223683,Cc1nn(C)c(C)c1CN1Cc2cc(-c3cnc(OC4CCN(C(=O)OC(C)(C)C)C4)nc3)ccc2OC(C)C1=O,XKZJLVXJNNIGBS-UHFFFAOYSA-N
-rxn:4:217488:223507,CC(=O)c1c(C)oc2nc(-c3ccccc3S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)nn12,GAWZRNSYYMEOLT-UHFFFAOYSA-N
-rxn:4:217634:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3nc4n(c3S(N)(=O)=O)CCOC4)c2)CC1,GZDFZEPIAVETLC-UHFFFAOYSA-N
-rxn:4:217889:222466,c1nc(N2C3CCC2CC(=C2CC2)C3)ncc1-c1cc(C2CCCCC2)nc(C2CCNCC2)c1,ZXAOAVFCMYMPFY-UHFFFAOYSA-N
-rxn:4:217905:226252,CCCCOc1cc(Cl)ccc1-c1ccc2c(c1)C1CC(c3ccc(C)o3)=NN1C1(CCN(C)CC1)O2,CQVLSGCNZOMKEK-UHFFFAOYSA-N
-rxn:4:218600:223026,CCCNC(=O)c1ccc(-c2cnn(CCN3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1F,ICRAQCJWHOWJLY-UHFFFAOYSA-N
-rxn:4:218619:223839,COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1ccccc1CCC(=O)N1CCC(n2cc(C3CC3)nn2)C1,UOZJNBHOYDYLQJ-UHFFFAOYSA-N
-rxn:4:218621:227170,O=C1CCCC(=O)N1CCS(=O)(=O)N1CCC(Oc2ncc(-c3cnc4ccccc4c3Cl)cn2)C1,JMIJMVFJLRQSJV-UHFFFAOYSA-N
-rxn:4:218666:225878,CC(C)(C)c1ccc(OCC2CCN(C(=O)c3cncc(-c4cc(Cl)cc(N5CCOCC5)c4)c3)C2)nn1,VFKZYVCBBRLSGX-UHFFFAOYSA-N
-rxn:4:218666:225898,CC(C)(C)c1ccc(OCC2CCN(C(=O)c3cncc(-c4cnn(CCN5CCOCC5)c4)c3)C2)nn1,ANTKUMKDXYBTPV-UHFFFAOYSA-N
-rxn:4:218698:223239,O=C(C1CC(=O)N(c2ccc(-c3cncc(C4CCCN4)c3)cc2)C1)N1CCN(CCc2ccncc2)CC1,DQSKKJZQTVILEX-UHFFFAOYSA-N
-rxn:4:218704:225912,CCCOc1c(F)cc(F)c(-c2ccc(-c3cc(N4CCCN(C(=O)COc5ccc(Cl)cc5C)CC4)[nH]n3)cc2)c1F,OAKUARPFPPHWHU-UHFFFAOYSA-N
-rxn:4:218707:222671,Cc1ccc(S(=O)(=O)N2CCN(C(=O)CC(C)n3nc(C)c(-c4ccc(C(=O)Nc5cccc(Cl)c5)cc4)c3C)CC2)cc1,WWHLIWRFUMSMLE-UHFFFAOYSA-N
-rxn:4:218710:225078,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc5ccc(C(=O)OC)nc45)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,JNBNBGABFBBGLS-UHFFFAOYSA-N
-rxn:4:218710:226402,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(-n5cnc(C)c5)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,JURLEFRQUNCGGR-UHFFFAOYSA-N
-rxn:4:218710:226790,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cnc(-n5ccc(C)n5)nc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,KREDUXWZDDWAAQ-UHFFFAOYSA-N
-rxn:4:218710:227153,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc5c(C)nn(C)c5c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,PFESUHSGTBIIEL-UHFFFAOYSA-N
-rxn:4:218710:227381,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cnc(C5CCCC5)nc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,HXXFVCKNVYQZJH-UHFFFAOYSA-N
-rxn:4:218718:223568,COC(=O)Cc1c(C(=O)OC)nnc2c(-c3ccc(-c4cnc5c(ccn5[Si](C(C)C)(C(C)C)C(C)C)c4Cl)cc3)c(C)nn12,JFNHHGGYSCHIAD-UHFFFAOYSA-N
-rxn:4:218755:225183,CC(C)(C)OC(=O)N1CCC(n2c(=O)c3sc(-c4ccc(OC5CCCCC5)nc4F)cc3n(CC#N)c2=O)CC1,WMYPAEZULUYCOA-UHFFFAOYSA-N
-rxn:4:218773:224492,O=C(CCc1ccc(-c2ccc(-n3c(SCC(=O)N4CCN(c5ccccc5)CC4)nc4c(c3=O)SCC4)cc2)cc1)N1CCCC1,AUQMJADPFOQPDW-UHFFFAOYSA-N
-rxn:4:218788:226708,CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C2CCCCC2)c1=NC(=O)c1ccccc1-c1cc(C2OCCO2)ccc1Cl,IFZQBHYNIRWWHX-UHFFFAOYSA-N
-rxn:4:218822:222546,N#Cc1nccnc1OC1CCCN(C(=O)c2ccc(-c3ccc(OCCNC4CCCCC4)c(F)c3)o2)C1,UYMTUWDUNOPGJQ-UHFFFAOYSA-N
-rxn:4:218824:222723,CN(CC1CN(c2ncc(-c3cccc(NS(=O)(=O)N4CCOCC4)c3)cn2)C1)S(=O)(=O)C1CC1,PUXDLWZHGKKBIB-UHFFFAOYSA-N
-rxn:4:218867:223055,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3ccc(N4CCNCC4)nc3C)c2)no1,PRSODMQRWSFTFH-UHFFFAOYSA-N
-rxn:4:218867:226175,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3ccc(N4CCCC4)cc3C)c2)no1,CTTRUXGYPCKLJN-UHFFFAOYSA-N
-rxn:4:218882:224017,O=C(c1ccccn1)N1CCCC(COc2ncc(-c3ccc(N4CCCS4(=O)=O)cc3C(F)(F)F)cn2)C1,KQJJXRSEEMPVKE-UHFFFAOYSA-N
-rxn:4:218885:223847,CCCCCC1CCC(c2ccc(-c3cnc(OCC4CCN(C(=O)c5scnc5C)CC4)nc3)cc2)CC1,YXMVIVAYJLWZIV-UHFFFAOYSA-N
-rxn:4:218945:222423,COc1c(-c2cncc([N+](=O)[O-])c2N2CCN(C(=O)OC(C)(C)C)CC2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,HXXVQLXVCUALNN-UHFFFAOYSA-N
-rxn:4:218947:223941,CSc1ncc(-c2ccc3c(c2)CC(=O)N3C(=O)OC(C)(C)C)c(N2CCCC(COc3ccncc3)C2)n1,MCPKQGZDXRPFHV-UHFFFAOYSA-N
-rxn:4:218963:223917,CN(C(=O)c1cc(F)cc(-c2cnn(C)c2C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1)C1CCCCC1,VPPFEUMHADPLAW-UHFFFAOYSA-N
-rxn:4:218991:223239,Cn1cc(-c2cncc(C3CCCN3)c2)c(CN2CCN(C(=O)OC(C)(C)C)CC2)n1,KOWYPAQPGJEMKH-UHFFFAOYSA-N
-rxn:4:218999:224157,C[C@H]1CN(C(=O)OC(C)(C)C)CCN1c1ncc(-c2cn(C(=O)OC(C)(C)C)c3ccccc23)cc1C#N,NFDWWDHOWOYBDL-IBGZPJMESA-N
-rxn:4:219013:223167,CC1CN(c2c(-c3ccnc(N4CCNCC4)c3)cncc2[N+](=O)[O-])CCN1C(=O)OC(C)(C)C,CHTOJZIRLKGCDI-UHFFFAOYSA-N
-rxn:4:219073:223279,O=C(c1ccc(-c2cnc(C3CCCN3)nc2)cc1)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCC3)c2)CC1,ARHZYHVEFUYOLI-UHFFFAOYSA-N
-rxn:4:219126:224329,O=C1CCN(C(=O)c2ccc(-c3ccccc3CCC(=O)N3C4CCC3CC(n3cncn3)C4)cc2F)CC1,HGDDUIBLAVLWJF-UHFFFAOYSA-N
-rxn:4:219130:224195,CCN1CCN(Cc2cc(-c3ccc(C(=O)N4CCN(Cc5nc6cc(OC)ccc6[nH]5)CC4)o3)ccc2Cl)CC1,JEUPRCPEUXYLOY-UHFFFAOYSA-N
-rxn:4:219135:222876,COc1ccc(N2C(=O)C3N=NN(Cc4ccc(OC)c(-c5ccc(C(=O)NC(C)(C)C)c(F)c5)c4)C3C2=O)cc1,XMFZAVXESHJJBJ-UHFFFAOYSA-N
-rxn:4:219184:222948,CCCN1CCN(C(=O)c2cc3n(n2)CC(c2ccc(-c4cnc(N5CCC(O)CC5)nc4Cl)cc2)OC3)CC1,BGLVLCSIHWKHHC-UHFFFAOYSA-N
-rxn:4:219225:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3ccc(C(=O)N4CC(Cn5cncn5)C4)o3)c2)CC1,AWSZEDDCNSOTHE-UHFFFAOYSA-N
-rxn:4:219274:223790,CC(C)(C)OC(=O)N1CCCC1c1cncc(-c2cnn(CC3CN(c4cc(C(F)(F)F)ccn4)C3)c2)c1,GTWLFPKVOVQFQV-UHFFFAOYSA-N
-rxn:4:219371:223098,CC(=O)NS(=O)(=O)c1ccc(-c2nncn2C2CCN(C(=O)OC(C)(C)C)CC2)cc1,PTQLPRSORFFCIW-UHFFFAOYSA-N
-rxn:4:219377:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(C(=O)N4CCN(c5nccn5CC)CC4)o3)c2)CC1,RKVDBKPIYMSZPK-UHFFFAOYSA-N
-rxn:4:219383:224280,CC(C)(C)OC(=O)N1CCc2sc(-c3cnc(OCC4CCCN(c5ccncc5Cl)C4)nc3)cc2C1,CSVABUIYVCZDQH-UHFFFAOYSA-N
-rxn:4:219384:224280,CC(C)(C)OC(=O)N1CCc2sc(-c3cnc(N4CCC(COc5ccncc5Cl)CC4)nc3)cc2C1,UNYSNTODOLBJQH-UHFFFAOYSA-N
-rxn:4:219404:224287,CCN(CC)S(=O)(=O)c1c(C)cc(-c2cncc(N3CCN(C(=O)OC(C)(C)C)CC3)n2)cc1C,RDHNYPRHWFCGKM-UHFFFAOYSA-N
-rxn:4:219404:225979,CC(C)(C)OC(=O)N1CCN(c2cncc(-c3cnc(N4CCOCC4)c(Cl)c3)n2)CC1,FPLFFINWYPGXKM-UHFFFAOYSA-N
-rxn:4:219414:226113,CC(C)CC(=O)c1ccc(-c2cnc(N3CCOC(C(=O)N4CCCC4)C3)c(C#N)c2)cc1,WIOMFZOBNGDSHL-UHFFFAOYSA-N
-rxn:4:219419:223505,Cc1nc(N2CCN(C(=O)c3ccc(-c4ccc(S(=O)(=O)N5CCN(C(=O)OC(C)(C)C)CC5)cc4)o3)CC2)cc(C(F)(F)F)n1,HJISVGLWJJBYBM-UHFFFAOYSA-N
-rxn:4:219431:222695,Cc1ccc(-c2ccccc2S(=O)(=O)N2CCC(n3cc(C4CC4)nn3)C2)cc1S(=O)(=O)NC1CCCC1,XSIQAUXMXZSUNO-UHFFFAOYSA-N
-rxn:4:219451:223524,COc1ccc2c(c1)c(-c1cn(C)nc1C(=O)N1CCCN(CC3CC3)CC1)cn2S(=O)(=O)c1ccc(C)cc1,PBWSUQZKOKEVNG-UHFFFAOYSA-N
-rxn:4:219471:225518,CCCCCOc1ncc(C)cc1-c1cnc(SC)nc1N1CCOC(C(=O)N2CCCC2)C1,OKXROQIRLOEBKF-UHFFFAOYSA-N
-rxn:4:219473:226982,CCCCOc1ccccc1-c1cnc(N2CCOC(C(=O)N3CCCC3)C2)nc1OC,FFAGTKGTNMCNFY-UHFFFAOYSA-N
-rxn:4:219487:223523,CCN1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCCN(C(=O)OC(C)(C)C)CC4)cn3)c3ccccc23)CC1,MPFUXZOVFRUQAJ-UHFFFAOYSA-N
-rxn:4:219488:224712,CC(=O)OC(OC(C)=O)c1ccc(-c2cnc(N3CCN(C(=O)OC(C)(C)C)C[C@@H]3C)nc2)cc1,ZWZKRODDXLTDKZ-INIZCTEOSA-N
-rxn:4:219498:224318,COc1nc(N2CCOC(C(=O)N3CCOCC3)C2)ncc1-c1ccc(C(=O)N2CCN(C)CC2)c(F)c1,VWXQRHOTNDORKO-UHFFFAOYSA-N
-rxn:4:219501:223787,CSc1ncc(-c2ccc(OCCCN3CCN(C)CC3)c(F)c2)c(N2CCOC(C(=O)N3CCOCC3)C2)n1,HNIOLBKGPGHWJT-UHFFFAOYSA-N
-rxn:4:219506:225654,CC1CCCN(c2ccc(-c3ccc(S(=O)(=O)N4CCCN(S(=O)(=O)c5c[nH]cn5)CC4)cc3)cn2)C1,LIRIVQTVLNSXJF-UHFFFAOYSA-N
-rxn:4:219530:226898,Cc1nn(S(=O)(=O)N(C)C)cc1-c1cnc(OC2CCN(C3CCN(C4CC4)C3=O)CC2)nc1,ZPDKTZMGTUMPIC-UHFFFAOYSA-N
-rxn:4:219553:226236,CCCCOc1ncc(C)cc1-c1ccc(Cl)c(C(=O)N2CCC(c3nn(C)c(=O)n3C3CC3)CC2)c1,QHPTXXTUNSVMDJ-UHFFFAOYSA-N
-rxn:4:219639:225210,Cc1nc(N2CCC(C)CC2)ncc1-c1ccc2nc(C3CCN(C(=O)OC(C)(C)C)C3)nn2c1,KQMYIZNGZDYSDV-UHFFFAOYSA-N
-rxn:4:219653:223059,CC(C)(C)OC(=O)N1CCN(c2nc3ccc(-c4ccc(N5CCNCC5)cc4Cl)nc3s2)CC1,VQAIXQWFGIFRPE-UHFFFAOYSA-N
-rxn:4:219653:223065,CC(C)(C)OC(=O)N1CCN(c2nc3ccc(-c4ccc(N5CCNCC5)cc4F)nc3s2)CC1,MRYPTSLXRYTNHE-UHFFFAOYSA-N
-rxn:4:219653:225876,CC(C)(C)OC(=O)N1CCN(c2nc3ccc(-c4cc(Cl)ccc4N4CCOCC4)nc3s2)CC1,KHKGPOMUUIRBCF-UHFFFAOYSA-N
-rxn:4:219692:224268,CC(C)(C)OC(=O)N1CCC(n2cc(-c3ccc4c(cnn4C(=O)OC(C)(C)C)c3)c3cnc(Cl)nc32)CC1,FASYRKYXKWVIFR-UHFFFAOYSA-N
-rxn:4:219706:224290,CC(C)(C)OC(=O)N1CCN(c2ncnc3cc(-c4ccc(Cl)cc4OCCN4CCOCC4)c(Cl)cc23)CC1,PFYRQKWYJQBBFI-UHFFFAOYSA-N
-rxn:4:219825:223522,CC(C)(C)[Si](C)(C)OC1CCN(c2cc(F)cc(-c3ccc(C(=O)N4CC(n5nccn5)C4)o3)c2)CC1,CWWPOWNUFBLDKS-UHFFFAOYSA-N
-rxn:4:219856:223522,CC(C)(C)[Si](C)(C)OC1CCN(c2cc(F)cc(-c3ccc(C(=O)N4CCC(n5ccnn5)CC4)o3)c2)CC1,WCDZHTJBLMGIBZ-UHFFFAOYSA-N
-rxn:4:219859:223522,CC(C)(C)[Si](C)(C)OC1CCN(c2cc(F)cc(-c3ccc(C(=O)N4CCC(n5nccn5)CC4)o3)c2)CC1,NEFBOWOELJDGQU-UHFFFAOYSA-N
-rxn:4:219868:224248,CCN1CCN(c2c(-c3ccc(C(=O)N4CCC(C)CC4)c(Cl)c3)cncc2[N+](=O)[O-])CC1,DWDRDVFNEYOLSQ-UHFFFAOYSA-N
-rxn:4:219904:225805,CC(c1ccc(-c2cnc(C3CCN(S(=O)(=O)N(C)C)CC3)cn2)s1)N1CCOCC1,XDLSAWXRCHLZLL-UHFFFAOYSA-N
-rxn:4:219959:226259,CCCCOc1ccc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)nc2)cc1Cl,ZPJOKNDAVYMIAO-UHFFFAOYSA-N
-rxn:4:220131:224715,CCCCOc1cc(C(F)(F)F)ccc1-c1cnc(N2CC(N3CC4CCCC4C3)C2)c(C#N)c1,PFCKXCNNTBPZRY-UHFFFAOYSA-N
-rxn:4:220135:223590,Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1-c1ccccc1S(=O)(=O)N1C2CCC1CC(n1cncn1)C2,IMCSAUQMISGOEM-UHFFFAOYSA-N
-rxn:4:220194:224327,CCc1ccc(N2C(=O)C3N=NN(c4ccc(-c5cccc(S(=O)(=O)N6CCCC(C)C6)c5)c(C)c4)C3C2=O)cc1,PHQZYVLNPGGNDK-UHFFFAOYSA-N
-rxn:4:220204:223595,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc4ncnc(N5CCOC(C(=O)N6CCOCC6)C5)c4c3)cc2F)CC1,BWEGYYKUGOJFJH-UHFFFAOYSA-N
-rxn:4:220205:223028,CCCNC(=O)c1ccc(F)c(-c2ccc3nc(N4CCOC(C(=O)N5CCOCC5)C4)ncc3c2)c1,FZWBHXOZPVFYFY-UHFFFAOYSA-N
-rxn:4:220268:223785,CCN1CCN(CCOc2ccc(-c3ccccc3C(=O)N3c4ccccc4N4C(c5c(C)c(C)cc(C)c5C)=NON34)cc2Cl)CC1,NSQNTEPTQVPUSZ-UHFFFAOYSA-N
-rxn:4:220437:223533,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cc([N+](=O)[O-])c4c(C#N)n[nH]c4c3)c(F)c2)CC1,AWPBLLSECVDKPQ-UHFFFAOYSA-N
-rxn:4:221112:228862,CCOc1ccc(-c2cnn(CCC#N)c2)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N(C)C)n2)CC1,PIYFJSKCHFOWBY-UHFFFAOYSA-N
-rxn:4:221169:224753,Cc1ccc(S(=O)(=O)N2CCCC2)cc1-c1cnc(OCC2CCCN(S(=O)(=O)c3cnn(C)c3)C2)nc1,FCOJYWUOHBDXKW-UHFFFAOYSA-N
-rxn:4:221169:224819,Cn1cc(S(=O)(=O)N2CCCC(COc3ncc(-c4ccc(S(=O)(=O)N5CCOCC5)cc4)cn3)C2)cn1,OPVINOBERVPUMH-UHFFFAOYSA-N
-rxn:4:221172:224718,Cn1nc(C(=O)N2CCC(COc3ncc(-c4ccc(OCCN5CCOCC5)nc4)cn3)CC2)ccc1=O,YIEZQSLIBJQUOI-UHFFFAOYSA-N
-rxn:4:221175:222415,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4ccc(F)c(S(N)(=O)=O)c4)cn3)C2)C(=O)C1=O,CVUSBTDYOYXQGE-UHFFFAOYSA-N
-rxn:4:221175:224076,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4ccc5c(ccn5[Si](C)(C)C(C)(C)C)c4)cn3)C2)C(=O)C1=O,RIYXVMLIUNVKKT-UHFFFAOYSA-N
-rxn:4:221175:224098,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4ccc(OCc5ccccc5)c(C#N)c4)cn3)C2)C(=O)C1=O,QTMKTZUUOAFIKM-UHFFFAOYSA-N
-rxn:4:221175:224486,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4cccc(C(=O)N(C(C)C)C(C)C)c4)cn3)C2)C(=O)C1=O,HPUAHMANYXPCBW-UHFFFAOYSA-N
-rxn:4:221175:224629,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4cnc(OCc5ccccc5)c(F)c4)cn3)C2)C(=O)C1=O,QAAZTDCKWMWAQE-UHFFFAOYSA-N
-rxn:4:221175:227238,CCOC(=O)c1cccc(-c2cnc(OC3CCN(C(=O)N4CCN(CC)C(=O)C4=O)C3)nc2)c1,BFXSNZLZUVBQCI-UHFFFAOYSA-N
-rxn:4:221177:223812,Fc1cc(CN2CCC3(CC2)OCCO3)cc(-c2cnc(N3CCC(COc4cc(C5CC5)ncn4)CC3)nc2)c1,YIKFIWQZVDLIQF-UHFFFAOYSA-N
-rxn:4:221203:223029,CC(C)OC(=O)Nc1ccc(-c2ccc(CCN3CCN(c4ccc(N5CCOCC5)nn4)CC3)cc2)cc1,SBECCOVHCCDVRR-UHFFFAOYSA-N
-rxn:4:221204:223178,CONC(=O)c1ccc(F)c(-c2ccc(CCN3CCN(c4nccc(N5CCOCC5)n4)CC3)cc2)c1,JTLAWWOEKSUMEJ-UHFFFAOYSA-N
-rxn:4:221208:222629,Cc1cc(N2CCN(CCc3ccc(-c4cc(C5CCCNC5)nc(C(C)(C)C)c4)cc3)CC2)nc(N2CCOCC2)n1,REGQTTKBMCRWHI-UHFFFAOYSA-N
-rxn:4:221208:223588,Cc1cc(N2CCN(CCc3ccc(-c4cnc(N5CCN(C(=O)OC(C)(C)C)CC5)c(C)c4)cc3)CC2)nc(N2CCOCC2)n1,SENWDVGVYZSRIY-UHFFFAOYSA-N
-rxn:4:221208:223659,Cc1cc(N2CCN(CCc3ccc(-c4cnn(CC5CCN(C(=O)OC(C)(C)C)CC5)c4)cc3)CC2)nc(N2CCOCC2)n1,ZVUZFWNTVYMKGP-UHFFFAOYSA-N
-rxn:4:221208:223952,Cc1cc(N2CCN(CCc3ccc(-c4ccc(OCCN5CCN(C)CC5)c(Cl)c4)cc3)CC2)nc(N2CCOCC2)n1,HKRMBOSFPYGABV-UHFFFAOYSA-N
-rxn:4:221208:224668,CCN1CCN(c2cc(F)cc(-c3ccc(CCN4CCN(c5cc(C)nc(N6CCOCC6)n5)CC4)cc3)c2)CC1,NXRXKZJYHWOPII-UHFFFAOYSA-N
-rxn:4:221208:227679,Cc1cc(N2CCN(CCc3ccc(-c4ccc5c(c4)OC(F)(F)O5)cc3)CC2)nc(N2CCOCC2)n1,VNEXTCIVZMGOSM-UHFFFAOYSA-N
-rxn:4:221230:224820,N#Cc1cc2c(nc1N1CCCC(COc3ncc(-c4cccc(S(=O)(=O)N5CCOCC5)c4)cn3)C1)CCC2,QFLOVDILNKSWHG-UHFFFAOYSA-N
-rxn:4:221232:224759,N#Cc1cc2c(nc1N1CCCC(COc3ncc(-c4cc(F)cc(C(=O)N5CCOCC5)c4)cn3)C1)CCOC2,UYUDFKWGVKWICE-UHFFFAOYSA-N
-rxn:4:221249:223065,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc4c(-c5ccc(N6CCNCC6)cc5F)cnn4c3)cc2)CC1,WYHKPDILKDFJSK-UHFFFAOYSA-N
-rxn:4:221249:225975,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc4c(-c5ccnc(N6CCOCC6)c5Cl)cnn4c3)cc2)CC1,XARFAZXZNLAOQI-UHFFFAOYSA-N
-rxn:4:221272:222948,CCCCCn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3cnc(N4CCC(O)CC4)nc3Cl)cc2)n(C)c1=O,IOXUZUJOPYXMEP-UHFFFAOYSA-N
-rxn:4:221378:222826,CC(C)c1noc(C2CCN(c3ncc(-c4cccc(S(=O)(=O)N5CCNCC5)c4)cc3C#N)CC2)n1,COTAHPHHSUTKPY-UHFFFAOYSA-N
-rxn:4:221388:222612,Cc1cc(N2CCCC(COc3ncc(-c4cc(S(=O)(=O)N5CCC(O)CC5)ccc4F)cn3)C2)nc(C)n1,HDPDPLOGJHZBJW-UHFFFAOYSA-N
-rxn:4:221388:223786,Cc1cc(N2CCCC(COc3ncc(-c4ccc(OCCCN5CCN(C)CC5)c(Cl)c4)cn3)C2)nc(C)n1,BLLPIGAPGSYYRQ-UHFFFAOYSA-N
-rxn:4:221416:223056,O=C(c1ccc(-c2ccc(N3CCC(O)CC3)nc2)o1)N1CCN(c2ccc(N3CCCCC3)nn2)CC1,YLQUIKMPCZJNKY-UHFFFAOYSA-N
-rxn:4:221416:223180,CONC(=O)c1ccc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCCCC5)nn4)CC3)o2)cc1F,LLFRQPRYSMBYKL-UHFFFAOYSA-N
-rxn:4:221427:224962,c1ccc(-c2ccccc2CN2CCN(c3cc(N4CCOCC4)ncn3)CC2)c(COC2CCOCC2)c1,DSPQPWHJDJXAGT-UHFFFAOYSA-N
-rxn:4:221432:222996,Cc1cc(N2CCCC2)nc(N2CCN(C(=O)c3cccc(-c4ccc(F)cc4C4CCCNC4)c3)CC2)n1,MFNIPAPVUUCXHV-UHFFFAOYSA-N
-rxn:4:221436:226534,COC(=O)c1cc(OC)ccc1-c1ccc(C(=O)N2CCN(c3ccc(N4CCCCC4)nn3)CC2)cc1,PXVUDKAXTBDJED-UHFFFAOYSA-N
-rxn:4:221437:227377,O=C(c1ccc(-c2cncnc2C2CCCC2)o1)N1CCN(c2ccc(N3CCCCCC3)nn2)CC1,KGHKRVHRXZABLN-UHFFFAOYSA-N
-rxn:4:221440:223170,Cc1cc(N2CCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cnc(C5CCCNC5)nc4)cc3)CC2)n1,DBNHKRWMGFFMIU-UHFFFAOYSA-N
-rxn:4:221440:225346,COc1ccc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCCC5)n4)CC3)cc2)cc1S(=O)(=O)N(C)C,CSOCNXAHXXLZQY-UHFFFAOYSA-N
-rxn:4:221441:222987,Cc1cc(N2CCOCC2)nc(N2CCN(Cc3cccc(-c4ccc(C5CCNCC5)nc4C)c3)CC2)n1,BTSCJHDHFDSNRU-UHFFFAOYSA-N
-rxn:4:221446:223180,CONC(=O)c1ccc(-c2ccc(CN3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)cc1F,KUMZKJQEMJOBRS-UHFFFAOYSA-N
-rxn:4:221449:223239,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cncc(C5CCCN5)c4)cc3)CC2)n1,HECGAVJVJHUPBW-UHFFFAOYSA-N
-rxn:4:221449:223242,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccnc(C5CCNC5)c4)cc3)CC2)n1,VAWZFDGIKULKFS-UHFFFAOYSA-N
-rxn:4:221454:225719,COCCOc1ccc(-c2ccccc2C(=O)N2CCN(c3ccc(N4CCCCCC4)nn3)CC2)cc1OC,CYUGVDWPTGNTPC-UHFFFAOYSA-N
-rxn:4:221456:223279,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cnc(C5CCCN5)nc4)cc3)CC2)n1,YMQJKCMGOSOPEA-UHFFFAOYSA-N
-rxn:4:221456:225286,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(F)ncc4C(=O)OC(C)(C)C)cc3)CC2)n1,VZRYSOSTCCYXAB-UHFFFAOYSA-N
-rxn:4:221491:222735,O=C(NC1CCCCC1)c1cccc(-c2cnc(N3CC4CCCC4(COc4ncc(F)cn4)C3)nc2)c1,AXJPNJZTOCBXAF-UHFFFAOYSA-N
-rxn:4:221492:224325,COc1ccc2nnc(C3CCN(C(=O)c4ccc(-c5ccc(C6=CCN(S(C)(=O)=O)CC6)cc5)o4)CC3)n2n1,AUNPIUVDQSKMMO-UHFFFAOYSA-N
-rxn:4:221522:222673,COc1ccc2c(=O)n(CC3CCN(c4ncc(-c5cc(C(=O)NC6CCCCC6)ccc5Cl)cn4)CC3)cnc2c1,IFRYUFBRQQNDOP-UHFFFAOYSA-N
-rxn:4:221572:224666,CC(C)CCn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3ccc(F)c(CN4CCN(C)CC4)c3)cc2)n(C)c1=O,IHTQCDGFLKPTGH-UHFFFAOYSA-N
-rxn:4:221634:224486,Cc1ccnc(N2CCN(c3ncc(-c4cccc(C(=O)N(C(C)C)C(C)C)c4)cc3C(F)(F)F)CC2)n1,OTKJWJMCTVVZSM-UHFFFAOYSA-N
-rxn:4:221642:226183,O=C1CN(C2CCN(c3ncc(-c4cnccc4C4CCCCC4)cn3)CC2)C(=O)N1C1CC1,KLFGWVNGXWLBIW-UHFFFAOYSA-N
-rxn:4:221679:222426,Cc1c(-c2c[nH]nc2-c2nc3ccc(-c4ccc5c(c4)C4(CCN(C(=O)OC(C)(C)C)CC4)C(=O)N5)cc3[nH]2)cccc1[N+](=O)[O-],UNWOZOFDMBGORR-UHFFFAOYSA-N
-rxn:4:221727:223945,O=C(c1cncc(-c2ccc(OCCCN3CCOCC3)c(F)c2)c1)N1CCN(c2cc3c(nn2)CCCC3)CC1,CWGVRHFPLWUFNL-UHFFFAOYSA-N
-rxn:4:221832:223929,CC(C)(C)OC(=O)N1CCc2cc(-c3cnc(N4CCN(C5=NS(=O)(=O)c6ccccc65)CC4)nc3)cnc2C1,GJGQKZCHFOEJSB-UHFFFAOYSA-N
-rxn:4:221832:224399,O=S1(=O)N=C(N2CCN(c3ncc(-c4ccc(N5CCOCC5)cc4C(F)(F)F)cn3)CC2)c2ccccc21,RZUZNXPLROACNX-UHFFFAOYSA-N
-rxn:4:221910:224818,CN(C)/C=N/c1nc(-c2ccc(-c3ccc(S(=O)(=O)N4CCSCC4)cc3)cc2)c(C#N)c(C#N)c1C#N,UHPABTVPUICHEE-FDAWAROLSA-N
-rxn:4:221965:222980,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(CN6CCNCC6)cc5)cc4)CC3)nn2)CC1,BXFOOTPGSAZJCI-UHFFFAOYSA-N
-rxn:4:221965:223120,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cccc(C(=O)NC6CC6)c5)cc4)CC3)nn2)CC1,MKSQIVNTGMPDKM-UHFFFAOYSA-N
-rxn:4:221965:223154,CCNC(=O)c1cc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCN(CC)CC5)nn4)CC3)cc2)ccc1F,YBULDUQXKFABEA-UHFFFAOYSA-N
-rxn:4:221965:223438,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cn[nH]c5C(F)(F)F)cc4)CC3)nn2)CC1,AAEXOIFWCNTOEG-UHFFFAOYSA-N
-rxn:4:221965:223508,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(N6CCN(S(=O)(=O)c7ccc(Cl)cc7)CC6)nc5)cc4)CC3)nn2)CC1,JAOIPPYECLRYNL-UHFFFAOYSA-N
-rxn:4:221965:224120,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(CO[Si](C)(C)C(C)(C)C)c(C)c5)cc4)CC3)nn2)CC1,TZXIMZKXNZEEBZ-UHFFFAOYSA-N
-rxn:4:221965:224287,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(C)c(S(=O)(=O)N(CC)CC)c(C)c5)cc4)CC3)nn2)CC1,KMWHYYMJMVIBPL-UHFFFAOYSA-N
-rxn:4:221965:224421,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5c(C(C)C)cc(C(C)C)cc5C(C)C)cc4)CC3)nn2)CC1,MFPQQKAFNUPZIZ-UHFFFAOYSA-N
-rxn:4:221965:225213,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(N6CCN(C)CC6)cc5Cl)cc4)CC3)nn2)CC1,AHPHMZSJANGCOK-UHFFFAOYSA-N
-rxn:4:221965:225294,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cnc(N6CCN(CC)CC6)nc5)cc4)CC3)nn2)CC1,HROHWXJXROSAPU-UHFFFAOYSA-N
-rxn:4:221965:226027,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(F)c(S(=O)(=O)N(C)C)c5)cc4)CC3)nn2)CC1,RIIFVCQRMRMSMP-UHFFFAOYSA-N
-rxn:4:221965:226486,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(OCC(=O)OC)cc5)cc4)CC3)nn2)CC1,QWAMLKJTNQGMOK-UHFFFAOYSA-N
-rxn:4:221980:226457,CC(C)(C)OC(=O)N1CCN(c2cc(=O)n3nc(-c4cncc(-c5ccc(C6CCOC6)c(F)c5)c4)sc3n2)CC1,OHWCMEUAISBRPI-UHFFFAOYSA-N
-rxn:4:221982:224379,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccccc6S(=O)(=O)N6CCN(C)CC6)cc5)no4)C3C2=O)cc1,VXFYJDYHZVPUGF-UHFFFAOYSA-N
-rxn:4:222008:222584,Cc1nnc(CN2CCC(Oc3ncc(-c4ccc(OCCCN5CCNCC5)c(F)c4)cn3)CC2)n1C,RQHNYJVVTIQGCB-UHFFFAOYSA-N
-rxn:4:222027:222546,CN(C)c1ccc(N2CCN(c3ncc(C(F)(F)F)cc3-c3ccc(OCCNC4CCCCC4)c(F)c3)CC2)nn1,SWCQKXBLLBGLNO-UHFFFAOYSA-N
-rxn:4:222044:223540,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1ccc(S(=O)(=O)N2CCN(c3ccc(-n4ccc(C)n4)nn3)CC2)cc1,FXEKWHWTGPXZNH-UHFFFAOYSA-N
-rxn:4:222046:224759,CCc1c(C)nc(C2CC2)nc1N1CCN(c2ncc(-c3cc(F)cc(C(=O)N4CCOCC4)c3)cn2)CC1,UBMOOUNEGINJIE-UHFFFAOYSA-N
-rxn:4:222056:225904,CON(C)C(=O)c1ccc(F)c(-c2cnc(N3CCN(c4cc(C(C)(C)C)nc(C5CC5)n4)CC3)nc2)c1,KAQBVXPNCKBZBX-UHFFFAOYSA-N
-rxn:4:222062:222401,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccc(C(=O)Nc5nnn[nH]5)c4)cc3)CC2)n1,HZMRSBLXCSGXCF-UHFFFAOYSA-N
-rxn:4:222062:222872,COc1cc(C(=O)NC2CC2)ccc1-c1ccc(S(=O)(=O)N2CCN(c3nc(C)cc(N4CCN(C)CC4)n3)CC2)cc1,VXBGYIAHYZSWHE-UHFFFAOYSA-N
-rxn:4:222062:222890,COc1cc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCN(C)CC5)n4)CC3)cc2)cc(C2CCCNC2)n1,WFZISZJQRCANGP-UHFFFAOYSA-N
-rxn:4:222062:222948,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cnc(N5CCC(O)CC5)nc4Cl)cc3)CC2)n1,PBEGFUAMDUPITL-UHFFFAOYSA-N
-rxn:4:222062:224245,Cc1ccc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCN(C)CC5)n4)CC3)cc2)c(-c2cccc([N+](=O)[O-])c2)c1,MHFIGOABUZYHIV-UHFFFAOYSA-N
-rxn:4:222062:224416,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cnc(C(F)(F)C(F)(F)C(F)(F)F)nc4)cc3)CC2)n1,NVOPMBQJTMQOSZ-UHFFFAOYSA-N
-rxn:4:222062:224617,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(OCCN5CCCC5)c(Cl)c4)cc3)CC2)n1,HJPOIUJUXQPDDR-UHFFFAOYSA-N
-rxn:4:222062:224652,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(Cl)c(O[Si](C)(C)C(C)(C)C)c4)cc3)CC2)n1,UANKUFJDUIJJQP-UHFFFAOYSA-N
-rxn:4:222062:225360,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(S(=O)(=O)n5cccn5)cc4)cc3)CC2)n1,IDEMYKZMGQIEPQ-UHFFFAOYSA-N
-rxn:4:222062:227786,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cnc(F)c(C(F)(F)F)c4)cc3)CC2)n1,RPJVKLMCQXLJQI-UHFFFAOYSA-N
-rxn:4:222062:227964,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cncc(C5(C)CC5)c4)cc3)CC2)n1,NQZLPJLHGDESRR-UHFFFAOYSA-N
-rxn:4:222089:224767,O=C(c1cccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)c1F)N1CCOCC1,RVGSGNFHVVSRNQ-UHFFFAOYSA-N
-rxn:4:222108:222438,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(C(=O)Nc7cc([N+](=O)[O-])ccc7F)ccc6Cl)cc5)no4)C3C2=O)cc1F,POYBQPNMGSDFJV-UHFFFAOYSA-N
-rxn:4:222136:224729,CCN1CCN(c2nc3c(S(=O)(=O)c4ccc(-c5ccnc(OC)c5C(=O)OC(C)(C)C)cc4)nnn3c3ccccc23)CC1,RBPWOAUPZDZMEY-UHFFFAOYSA-N
-rxn:4:222137:225313,Cc1cn2c3c(=O)n(CCN4CCOCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2ccc(N3CCN(C)CC3)nc2F)cc1,NOSUPKBXNOEYKI-UHFFFAOYSA-N
-rxn:4:222155:223504,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(N4CCN(c5cc(C6CC6)ncn5)CC4)nc3)cc2[N+](=O)[O-])CC1,OZCYRKCIXBRKSF-UHFFFAOYSA-N
-rxn:4:222184:223901,CC1CCN(CCOc2ccc(-c3ccc4c(C(=O)N5CCC(n6ccnn6)CC5)n(C)nc4c3)cc2Cl)CC1,ZGIWDYUNJSOAQR-UHFFFAOYSA-N
-rxn:4:222252:222511,CSc1ncc(-c2cc(C(=O)NC3CCCCC3)cc([N+](=O)[O-])c2)c(N(C)C2CN(c3nccnc3C#N)C2)n1,NVCCQEBNLHSQDF-UHFFFAOYSA-N
-rxn:4:222296:223776,CC(C)(C)OC(=O)N1CCOc2ccc(-c3cnc(OCC4CCCN(c5ccc6nncn6n5)C4)nc3)cc2C1,LLDJJLBPJQERFV-UHFFFAOYSA-N
-rxn:4:222523:197909,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc3c(c2)CCC3N2CCC(F)(F)C2)c(C(F)(F)F)c1,HLDFWCJQVILMHS-UHFFFAOYSA-N
-rxn:4:222581:187440,CC(C)NS(=O)(=O)c1ccc(-c2coc(C3CCCN(C(=O)OC(C)(C)C)C3)c2)c2ccccc12,UTEQPULUCVMRAJ-UHFFFAOYSA-N
-rxn:4:222622:187531,CCC(C)c1cc(-c2ccc(C(=O)c3ccccc3CN3CCSCC3)cc2F)cc(C2CCCNC2)n1,KVJVMYXKMFUNJY-UHFFFAOYSA-N
-rxn:4:222623:207796,CCC(C)c1cc(-c2ccc3oc(=O)c(S(=O)(=O)N4CCN(C)CC4)cc3c2)cc(C2CCNCC2)n1,QBVHMTCCIOVNES-UHFFFAOYSA-N
-rxn:4:222680:215027,COc1c(NC(=O)OC(C)(C)C)cccc1-c1cnn2c1N(C(=O)OC(C)(C)C)CC2,QLUBEIREWSEGOO-UHFFFAOYSA-N
-rxn:4:222752:174514,Cc1cc(NC(=O)OC(C)(C)C)ccc1-c1cccc(O[Si](C(C)C)(C(C)C)C(C)C)c1,ZNCGWJRNOULHRF-UHFFFAOYSA-N
-rxn:4:222811:184907,CN(C(=O)OC(C)(C)C)C(=O)c1ccccc1-c1cc(Cl)nc(NC(=O)OC(C)(C)C)c1,AEEXCRBTZPOSSF-UHFFFAOYSA-N
-rxn:4:222882:185350,CC(C)CS(=O)(=O)C1CCN(C(=O)c2cccc(-c3cc(F)ccc3C(=O)NC(C)(C)C)c2)CC1,QNMPHNAHLVUQSF-UHFFFAOYSA-N
-rxn:4:222910:185543,CCCNS(=O)(=O)c1ccc(-c2ccc3c(c2)CCOC3CN(C)C(=O)OC(C)(C)C)c(C)c1,JJXILDSCRLXJDB-UHFFFAOYSA-N
-rxn:4:222940:185212,CC(C)(C)NS(=O)(=O)c1cncc(-c2ccc(CC3COS(=O)(=O)N3C(=O)OC(C)(C)C)cc2)c1,DBODOQZQWNYTOE-UHFFFAOYSA-N
-rxn:4:223061:185100,CCCOc1cc(S(=O)(=O)N2CCOCC2)ccc1-c1cc(C2CCNCC2)ncc1F,NYWKALMROKVWHX-UHFFFAOYSA-N
-rxn:4:223080:187501,CC(C)NS(=O)(=O)c1ccc(-c2cccc(OC(C)C)c2CN2CCCC(F)(F)C2)cc1,JRFLDHAHOXTSME-UHFFFAOYSA-N
-rxn:4:223093:185105,CC(C)CS(=O)(=O)C1CN(C(=O)c2ccccc2-c2cncc(NS(=O)(=O)C(C)C)c2)C1,HYGMRLUEVCAHOC-UHFFFAOYSA-N
-rxn:4:223541:205174,COc1ccnc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC3(CC2)OCCO3)c1[N+](=O)[O-],BKDUXYMNJXWYCL-UHFFFAOYSA-N
-rxn:4:223570:194770,CC1=CC(C)(C)N(S(=O)(=O)c2ccc(-c3c(F)ncc4c3ccn4[Si](C(C)C)(C(C)C)C(C)C)cc2)c2ccccc21,KJCXYYGDIOPCSZ-UHFFFAOYSA-N
-rxn:4:223580:176016,COC(=O)c1ccc2c(c1)cc(-c1ccc(CCC(=O)C3CCCCC3)cc1)n2C(=O)OC(C)(C)C,ORUKUJBBFKSPHF-UHFFFAOYSA-N
-rxn:4:223580:215058,COC(=O)c1ccc2c(c1)cc(-c1cnc3n1CCN(C(=O)OC(C)(C)C)C3)n2C(=O)OC(C)(C)C,KDIZLVKKWYPAIW-UHFFFAOYSA-N
-rxn:4:223771:185079,COc1ccc2c(c1)cc(-c1ccc(N(C(=O)OC(C)(C)C)C(C)C)cc1)n2C(=O)OC(C)(C)C,HICAAQFMFPNFCV-UHFFFAOYSA-N
-rxn:4:223830:178306,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(S[Si](C)(C)C(C)(C)C)cc3)ccc2C)CC1,DLFNLMRBVWPYLC-UHFFFAOYSA-N
-rxn:5:177185:225976:226662,CC(C)OC(=O)c1cc(-c2ccnc(N3CCOCC3)c2F)ccc1-c1ccc(N2CCN(C)CC2)s1,MAIVTHFHHUYGNL-UHFFFAOYSA-N
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-rxn:5:177186:223006:226661,CCOC(=O)c1cc(-c2cc(N3CCN(C)CC3)cs2)c(-c2ccc(F)c(C3CCNCC3)c2)cc1C,PJPHTLAPHOBWPD-UHFFFAOYSA-N
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-rxn:5:177891:227517:226197,O=C(SC1CS(=O)(=O)CC1c1ccc(C2CCCOC2)cc1)c1ccccc1-c1ccc(OC2COC2)nc1,NLSKRXPGJJNOQF-UHFFFAOYSA-N
-rxn:5:177891:227656:225805,CC(c1ccc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2cc(N3CCOCC3)cs2)s1)N1CCOCC1,YKJKSEGDDHBZOO-UHFFFAOYSA-N
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-rxn:5:178121:226187:227803,CN(C)S(=O)(=O)n1nccc1-c1cccc(OCC2CCOCC2)c1-c1cccc(C2CCOCC2)c1,DEXVUUPGROXYBV-UHFFFAOYSA-N
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-rxn:5:178122:227587:225407,COc1cc(-c2ccc(COC3CCCCO3)c(-c3ccc(C4CCCCCC4)cc3)c2)cc(F)c1OC,QQNKZXGEZKSGEG-UHFFFAOYSA-N
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-rxn:5:178295:228157:227722,COC(=O)C1(c2cc(-c3cccc(SC(F)(F)F)c3)ccc2-c2ccc(OC)cc2OC)CCC(=O)CC1,LVIIJFXVWUUUCT-UHFFFAOYSA-N
-rxn:5:178295:228189:227718,CCSc1ccc(F)c(-c2ccc(-c3ccc(OC(F)F)cc3F)cc2C2(C(=O)OC)CCC(=O)CC2)c1,RISCACQECSQBRW-UHFFFAOYSA-N
-rxn:5:178295:228562:227402,CCC(C)c1csc(-c2ccc(-c3cc(F)nc(C(C)(C)C)c3)cc2C2(C(=O)OC)CCC(=O)CC2)c1,KAPFGIJYELUCOP-UHFFFAOYSA-N
-rxn:5:178295:228563:223288,CNS(=O)(=O)c1cccc(-c2ccc(-c3cc(CC(C)C)cs3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,ZBSFLFCXOHVUJJ-UHFFFAOYSA-N
-rxn:5:178295:228630:226069,CCc1cc(F)cc(-c2ccc(-c3cccc(C4CCCCC4)c3)cc2C2(C(=O)OC)CCC(=O)CC2)c1,KUTOCPRRDOGLLX-UHFFFAOYSA-N
-rxn:5:178295:228802:223190,CNS(=O)(=O)c1ccc(F)cc1-c1ccc(-c2ccccc2C(F)F)c(C2(C(=O)OC)CCC(=O)CC2)c1,FNORVXHXWOLRJD-UHFFFAOYSA-N
-rxn:5:178295:228933:226611,CCc1ccc(C(F)(F)F)cc1-c1ccc(-c2cnc(OC)cc2F)c(C2(C(=O)OC)CCC(=O)CC2)c1,WKFICWYLFWINLR-UHFFFAOYSA-N
-rxn:5:178295:228990:226753,CCCc1ccc(-c2ccc(-c3ccc(OC)cc3C(F)(F)F)cc2C2(C(=O)OC)CCC(=O)CC2)s1,UIDLOJQIXAGYHW-UHFFFAOYSA-N
-rxn:5:178295:229203:226036,CCc1ccsc1-c1ccc(-c2cc(C(F)(F)F)cc(F)c2OC)cc1C1(C(=O)OC)CCC(=O)CC1,MUOLUXJZQFXRST-UHFFFAOYSA-N
-rxn:5:178313:225407:226907,CC(C)(C)[Si](C)(C)Oc1ccc(-c2ccc(C3CCCCCC3)cc2)c(-c2cccc3c2CCC32CC2)c1,GQVJTSPYAKTGGC-UHFFFAOYSA-N
-rxn:5:178313:226060:226150,CC(C)(C)[Si](C)(C)Oc1ccc(-c2cc(C3CC3)cc(C3CC3)c2)c(-c2cccc(SC3CCCC3)c2)c1,YIONEOLBZUKJIY-UHFFFAOYSA-N
-rxn:5:178313:226069:226186,CC(C)(C)[Si](C)(C)Oc1ccc(-c2cccc(C3CCCCC3)c2)c(-c2ccccc2C2CCOCC2)c1,AOAZMIWJAQBRHB-UHFFFAOYSA-N
-rxn:5:178314:223062:227020,CC(C)(C)[Si](C)(C)Oc1cc(-c2cnc(C3CCNCC3)cc2F)ccc1-c1cncc(C#CC2CC2)c1,ZXDWOKNYGSGTOB-UHFFFAOYSA-N
-rxn:5:178314:223203:225394,CC(C)(C)[Si](C)(C)Oc1cc(-c2cccc(C3(O)CCC3)c2)ccc1-c1cc(C2CCC2)cc(C2CC2)c1,GMGBPZVNNJSWKL-UHFFFAOYSA-N
-rxn:5:178314:225499:225453,CC(C)(C)[Si](C)(C)Oc1cc(-c2ccc(C3CCCCC3)cc2F)ccc1-c1cccc(SC2CCCCC2)c1,ZZXZJJOSPHVSTM-UHFFFAOYSA-N
-rxn:5:178314:227120:225407,CC(C)(C)[Si](C)(C)Oc1cc(-c2ccc(C3CCC3)cc2F)ccc1-c1ccc(C2CCCCCC2)cc1,HIFZTABUYZDPET-UHFFFAOYSA-N
-rxn:5:178315:225451:226919,CC(C)(C)[Si](C)(C)Oc1cc(-c2ccc(SC3CCCCC3)cc2)cc(-c2cccc(C3CCCC3)c2)c1,NDUYYGXCACSYOX-UHFFFAOYSA-N
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-rxn:5:178315:226146:226191,CC(C)(C)[Si](C)(C)Oc1cc(-c2ccc(SC3CCCC3)cc2)cc(-c2cc(C3CCCC3)ccc2F)c1,MDNZVRQOLYNYQL-UHFFFAOYSA-N
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-rxn:5:178466:225633:225833,CC(C)OC(=O)c1sc2cc(-c3ccc(N4CCCCCC4)nc3)ccc2c1-c1ccnc(N2CCCCC2)c1F,YGPFYINTWZRNHC-UHFFFAOYSA-N
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-rxn:5:178466:225976:225849,CC(C)OC(=O)c1sc2cc(-c3ccnc(N4CCOCC4)c3F)ccc2c1-c1cnc(N2CCCCC2)cc1F,RKIFLXNBJNUKAN-UHFFFAOYSA-N
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-rxn:5:178467:223064:227506,CCOC(=O)C1=Cc2cc(-c3cccc(/C=C/[N+](=O)[O-])c3)cc(-c3ccc(C4CCNCC4)nc3F)c2OC1,BYWQQEWVLRMQMP-JLHYYAGUSA-N
-rxn:5:178467:223138:225631,CCOC(=O)C1=Cc2cc(-c3ccc(N4CCN(C)CC4)cc3)cc(-c3ccnc(C4CCNCC4)c3)c2OC1,CEOJSHWBDAWGCX-UHFFFAOYSA-N
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-rxn:5:178467:225833:228703,CCOC(=O)C1=Cc2cc(-c3cnn(C4CCC4)c3)cc(-c3ccnc(N4CCCCC4)c3F)c2OC1,FVNALGSRUDHRGK-UHFFFAOYSA-N
-rxn:5:178467:225833:228712,CCOC(=O)C1=Cc2cc(-c3ccnn3C3CCC3)cc(-c3ccnc(N4CCCCC4)c3F)c2OC1,MVOODAFCXQNKRZ-UHFFFAOYSA-N
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-rxn:5:178467:225834:228703,CCOC(=O)C1=Cc2cc(-c3cnn(C4CCC4)c3)cc(-c3cc(N4CCCCC4)ncc3F)c2OC1,MPEUMNYAHGFVIY-UHFFFAOYSA-N
-rxn:5:178467:225834:228712,CCOC(=O)C1=Cc2cc(-c3ccnn3C3CCC3)cc(-c3cc(N4CCCCC4)ncc3F)c2OC1,UCHWNORUTXOSEW-UHFFFAOYSA-N
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-rxn:5:178467:225849:228712,CCOC(=O)C1=Cc2cc(-c3ccnn3C3CCC3)cc(-c3cnc(N4CCCCC4)cc3F)c2OC1,AWDMQXUOPWDZMZ-UHFFFAOYSA-N
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-rxn:5:178467:226664:227379,CCOC(=O)C1=Cc2cc(-c3cccnc3N3CCCC3)cc(-c3cc(N4CCCC4)ncc3F)c2OC1,IPOZSGJWCUWQMP-UHFFFAOYSA-N
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-rxn:5:178467:226679:223294,CCOC(=O)C1=Cc2cc(-c3csc(N4CCNCC4)n3)cc(-c3cnc(N4CCCC4)cc3F)c2OC1,SRUBWPSKBJPEQC-UHFFFAOYSA-N
-rxn:5:178467:226679:227376,CCOC(=O)C1=Cc2cc(-c3cncc(N4CCCC4)c3)cc(-c3cnc(N4CCCC4)cc3F)c2OC1,SJNLJFZTYDYEBB-UHFFFAOYSA-N
-rxn:5:178467:226679:227379,CCOC(=O)C1=Cc2cc(-c3cccnc3N3CCCC3)cc(-c3cnc(N4CCCC4)cc3F)c2OC1,UQZMWNBYTHJEKX-UHFFFAOYSA-N
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-rxn:5:178467:226794:226679,CCOC(=O)C1=Cc2cc(-c3cnc(N4CCCC4)cc3F)cc(-c3cnc(N4CCSCC4)nc3)c2OC1,FFSTVBMPKCIHJR-UHFFFAOYSA-N
-rxn:5:178467:227048:223138,CCOC(=O)C1=Cc2cc(-c3ccnc(C4CCNCC4)c3)cc(-c3ccc(C(=O)C(C)C)cc3)c2OC1,KVOKUKVECPSMIQ-UHFFFAOYSA-N
-rxn:5:178467:227701:223056,CCOC(=O)C1=Cc2cc(-c3ccc(N4CCC(O)CC4)nc3)cc(-c3cc(C(=O)OC)ncc3F)c2OC1,YGIIJGKHZAHISU-UHFFFAOYSA-N
-rxn:5:178467:227702:226649,CCOC(=O)C1=Cc2cc(-c3cccnc3N3CCOCC3)cc(-c3cc(C(=O)OC)cnc3F)c2OC1,YUGMFZLYALEIAD-UHFFFAOYSA-N
-rxn:5:178467:228320:223061,CCOC(=O)C1=Cc2cc(-c3cc(C4CCNCC4)ncc3F)cc(-c3ccnc(C(=O)OC)c3)c2OC1,GCBOCFOAYPOJSW-UHFFFAOYSA-N
-rxn:5:178467:228339:225976,CCOC(=O)C1=Cc2cc(-c3ccnc(N4CCOCC4)c3F)cc(-c3ccncc3C(=O)OC)c2OC1,NHFHNNQYYKSPNX-UHFFFAOYSA-N
-rxn:5:178556:223002:225602,N#CC1(c2ccc(F)c(-c3ccc(-c4ccc(C5CCNCC5)cc4F)c(COc4ccc5c(c4)C(=O)CCC5)c3)c2)CCC1,SFNSXGNQXYOSEY-UHFFFAOYSA-N
-rxn:5:178556:223007:226320,N#CC1(c2ccc(F)c(-c3ccc(-c4cc(F)cc(C5CCNCC5)c4)c(COc4ccc5c(c4)C(=O)CCC5)c3)c2)CC1,VXTLXKRKSKTARN-UHFFFAOYSA-N
-rxn:5:179629:223054:226649,COc1ccc(-c2ccc(C(C)N3CCC(O)C3)s2)c(S(C)(=O)=O)c1-c1cccnc1N1CCOCC1,PVPNLLQXRVHCIT-UHFFFAOYSA-N
-rxn:5:180022:222960:223010,COc1c(-c2ccc(C3(O)CCOCC3)cc2)ccc(-c2cc(C)cc(C3CCNCC3)c2)c1C1OCCO1,SDOBGICPTYEXHJ-UHFFFAOYSA-N
-rxn:5:180267:225924:225817,CSc1cc(C(C)(C)C)cc(-c2ccc(S(=O)(=O)N(C)C)cc2C)c1-c1ccc(C(F)(F)F)c(C2CC2)c1,CSHKJLWOWWGIOI-UHFFFAOYSA-N
-rxn:5:180402:225449:227045,CC(C)(C)Sc1cccc(-c2cc(-c3cccc(OC4CCCCC4)c3)ccc2C(=O)C2CCCCC2)c1,KMFSEQSLVLLRLO-UHFFFAOYSA-N
-rxn:5:180402:225453:226059,CC(C)c1ccc(-c2cc(-c3cccc(SC4CCCCC4)c3)ccc2C(=O)C2CCCCC2)c(C(C)C)c1,PMSVPEFWGCHUSV-UHFFFAOYSA-N
-rxn:5:180402:225453:227038,COc1ccc(C(C)C)cc1-c1cc(-c2cccc(SC3CCCCC3)c2)ccc1C(=O)C1CCCCC1,IUMUDVIZXLHWNO-UHFFFAOYSA-N
-rxn:5:180402:227768:226762,CSc1cc(-c2cc(-c3cccn3S(=O)(=O)N(C)C)ccc2C(=O)C2CCCCC2)cc(C(F)(F)F)c1,CPENOMABOCZDSB-UHFFFAOYSA-N
-rxn:5:180506:223082:227065,CNS(=O)(=O)c1c(C)cc(-c2cc(C(C)(C)C)cc(C3OCCO3)c2-c2cccc(C(=O)C(C)C)c2)cc1C,BMDXRCHKIFVAFV-UHFFFAOYSA-N
-rxn:5:180506:228210:227803,CN(C)S(=O)(=O)n1nccc1-c1c(-c2ccc(N3CCCC3)s2)cc(C(C)(C)C)cc1C1OCCO1,UQTPQJNXYZWEIZ-UHFFFAOYSA-N
-rxn:5:180602:225655:225976,COC(=O)C1Cc2cc(-c3ccnc(N4CCOCC4)c3F)cc(-c3cncc(N4CCC(C)CC4)c3)c2O1,XLNHOYCNFXCMCD-UHFFFAOYSA-N
-rxn:5:180602:225833:226794,COC(=O)C1Cc2cc(-c3cnc(N4CCSCC4)nc3)cc(-c3ccnc(N4CCCCC4)c3F)c2O1,HYCDZYGIAZMNGS-UHFFFAOYSA-N
-rxn:5:180602:225849:226794,COC(=O)C1Cc2cc(-c3cnc(N4CCSCC4)nc3)cc(-c3cnc(N4CCCCC4)cc3F)c2O1,YBDVVJMFVDHBQS-UHFFFAOYSA-N
-rxn:5:180602:226679:225982,COC(=O)C1Cc2cc(-c3cnc(N4CCOCC4)cc3F)cc(-c3cnc(N4CCCC4)cc3F)c2O1,WJSYRXYMCZOPHD-UHFFFAOYSA-N
-rxn:5:180602:226794:225834,COC(=O)C1Cc2cc(-c3cc(N4CCCCC4)ncc3F)cc(-c3cnc(N4CCSCC4)nc3)c2O1,FDIZWJQHJDXNBX-UHFFFAOYSA-N
-rxn:5:180662:222986:227710,COC(=O)C1=Cc2cc(-c3ccc(OS(C)(=O)=O)cc3)cc(-c3cc(C)nc(C4CCCNC4)c3)c2OC1,ABDGXBOPOQTIMT-UHFFFAOYSA-N
-rxn:5:180662:223138:226149,COC(=O)C1=Cc2cc(-c3ccc(OC)c(C(C)(C)C)c3)cc(-c3ccnc(C4CCNCC4)c3)c2OC1,SRFFUJUTKYZRNP-UHFFFAOYSA-N
-rxn:5:180662:226427:227710,COC(=O)C1=Cc2cc(-c3ccc(OS(C)(=O)=O)cc3)cc(-c3cc(N4CCC(C)CC4)cs3)c2OC1,FOUBOESRTYAXDF-UHFFFAOYSA-N
-rxn:5:180662:226679:223294,COC(=O)C1=Cc2cc(-c3csc(N4CCNCC4)n3)cc(-c3cnc(N4CCCC4)cc3F)c2OC1,XXSJWPGKZSEQTH-UHFFFAOYSA-N
-rxn:5:181624:223008:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2cc(C3CCNCC3)ccc2F)ccc1C1OCCO1,ZMZIIIIAQPCCNN-UHFFFAOYSA-N
-rxn:5:181904:225639:222956,Cc1ccc(-c2c(-c3cccnc3N3CCC(C)CC3)ccc(C3OCCO3)c2C)c(C2CCCNC2)c1,HRTVVDNSAXYVHH-UHFFFAOYSA-N
-rxn:5:181904:225832:222990,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(C2OCCO2)c(C)c1-c1ccc(N2CCC(O)CC2)cc1,QHJKTVRTFYHMER-UHFFFAOYSA-N
-rxn:5:181906:225451:225514,Cc1ccc(-c2ccc(SC3CCCCC3)cc2)c(C2OCCO2)c1-c1cccc2c1OCC1(CC1)CO2,FOUWMPJNWMWQJF-UHFFFAOYSA-N
-rxn:5:181906:225805:226186,Cc1ccc(-c2ccc(C(C)N3CCOCC3)s2)c(C2OCCO2)c1-c1ccccc1C1CCOCC1,WPIIKZBOGCTSBD-UHFFFAOYSA-N
-rxn:5:181906:226426:226686,Cc1ccc(-c2ccc(N3CCC(C)CC3)s2)c(C2OCCO2)c1-c1c(C)cnn1C1CCCCO1,AUFSXQCXLBICMR-UHFFFAOYSA-N
-rxn:5:181907:225470:226330,Cc1cc(-c2ccc(N3CCC(C)CC3)cc2)c(-c2ccc(C(C)N3CCCC3)s2)c(C2OCCO2)c1,PKWLGCPZILKQLI-UHFFFAOYSA-N
-rxn:5:181907:225652:222989,Cc1cc(-c2cncc(N3CCCC(C)C3)c2)c(-c2ccc(N3CCNCC3)cc2C)c(C2OCCO2)c1,SZBMQWQBOOQDAI-UHFFFAOYSA-N
-rxn:5:181908:222957:225633,Cc1cc(-c2cc(C)c(C3OCCO3)cc2-c2ccc(N3CCCCCC3)nc2)cc(C2CCCNC2)c1,ASRHQCHFRIPMNR-UHFFFAOYSA-N
-rxn:5:181908:223058:223058,Cc1cc(-c2cc(F)nc(C3CCCNC3)c2)c(-c2cc(F)nc(C3CCCNC3)c2)cc1C1OCCO1,SAQNKBBLYDNIQV-UHFFFAOYSA-N
-rxn:5:181908:225466:225684,Cc1cc(-c2ccc(N3CCCCC3C)cc2)c(-c2ccc(C3CCOCC3)nc2C)cc1C1OCCO1,YBMDKKMYCGSCTJ-UHFFFAOYSA-N
-rxn:5:181908:225469:225653,Cc1cc(-c2ccc(N3CCCC(C)C3)cc2)c(-c2ccc(N3CCCCC3C)nc2)cc1C1OCCO1,BMHOFVXHCMHPTG-UHFFFAOYSA-N
-rxn:5:181908:225652:225656,Cc1cc(-c2cncc(N3CCCC(C)C3)c2)c(-c2cncc(N3CCCCC3C)c2)cc1C1OCCO1,SFTWFDXLVYQLCU-UHFFFAOYSA-N
-rxn:5:181908:225656:225439,Cc1cc(-c2cncc(N3CCCCC3C)c2)c(-c2cccc(C(C)N3CCCC3)c2)cc1C1OCCO1,ZEOJWDKPAOHGMA-UHFFFAOYSA-N
-rxn:5:181908:225805:223135,Cc1cc(-c2ccc(C(C)N3CCOCC3)s2)c(-c2cccnc2C2CCCNC2)cc1C1OCCO1,ZYGHZIPYBHONPI-UHFFFAOYSA-N
-rxn:5:182009:222960:225466,Cc1cc(-c2ccc(-c3ccc(N4CCCCC4C)cc3)cc2C2CCOCC2)cc(C2CCNCC2)c1,QKUAPWBDTKWBRQ-UHFFFAOYSA-N
-rxn:5:182010:223142:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(C2CCOCC2)c(-c2ccc(C3CCCNC3)nc2)c1,CRSKFMFUJIQNMR-UHFFFAOYSA-N
-rxn:5:182010:225462:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(C2CCOCC2)c(-c2cccc(N3CCC(C)CC3)c2)c1,PJGYMXZTGAGWJC-UHFFFAOYSA-N
-rxn:5:182011:226652:225514,Cc1cc(-c2ccc(C3CCOCC3)cc2-c2cccc3c2OCC2(CC2)CO3)n(C2CCCCO2)n1,GJLVGYLIVRFLRR-UHFFFAOYSA-N
-rxn:5:182011:226686:222980,Cc1cnn(C2CCCCO2)c1-c1ccc(C2CCOCC2)cc1-c1ccc(CN2CCNCC2)cc1,WIJNGSOCAJUSKL-UHFFFAOYSA-N
-rxn:5:182012:225832:226146,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2ccc(SC3CCCC3)cc2)c(C2CCCOC2)c1,PUQJCUALMYICIH-UHFFFAOYSA-N
-rxn:5:182012:225832:226374,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2cncnc2C2CCCCC2)c(C2CCCOC2)c1,YBIQYPSSPYSYIY-UHFFFAOYSA-N
-rxn:5:183189:225832:226179,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2cncc(C3CCCCC3)c2)cc2c1OC(C)(C)OC2,ARFCKCWVUNBRGA-UHFFFAOYSA-N
-rxn:5:188867:225833:226661,CC(C)OC(=O)c1cc(-c2cc(N3CCN(C)CC3)cs2)ncc1-c1ccnc(N2CCCCC2)c1F,VLAZTCUCZQPPJZ-UHFFFAOYSA-N
-rxn:5:188867:225978:226662,CC(C)OC(=O)c1cc(-c2ccc(N3CCN(C)CC3)s2)ncc1-c1ccc(N2CCOCC2)nc1F,VGRFAKZCCWMWQW-UHFFFAOYSA-N
-rxn:5:188930:223133:223139,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccccc2N2CCNCC2)cc1-c1ccc(C2CCNCC2)nc1,HBAFNWMVDGFRLF-UHFFFAOYSA-N
-rxn:5:188930:226177:226177,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccnc(C3CCCCC3)c2)cc1-c1ccnc(C2CCCCC2)c1,KHDFTOWMLSTYPR-UHFFFAOYSA-N
-rxn:5:188930:226329:226411,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccc(C3(C#N)CC3)c(F)c2)cc1-c1ccc(N2CCOCC2)cc1,KODGOHAXRNRRIW-UHFFFAOYSA-N
-rxn:5:188932:226177:226177,COC(=O)c1cc(-c2ccnc(C3CCCCC3)c2)c(S(N)(=O)=O)c(-c2ccnc(C3CCCCC3)c2)c1,YLHMDEFIKYYGJS-UHFFFAOYSA-N
-rxn:5:189079:223063:225982,CCN(C)C(=O)c1ccc(-c2cnc(N3CCOCC3)cc2F)c(-c2cc(F)nc(C3CCNCC3)c2)c1,NAPSRTXTJDWSRO-UHFFFAOYSA-N
-rxn:5:189208:226750:228138,COc1ccc(C(F)(F)F)cc1-c1ccc(C(=O)ON2C(=O)CCC2=O)c(-c2ccc(CC#N)c(F)c2)c1,AKPLZZSUUCEZBL-UHFFFAOYSA-N
-rxn:5:189211:228623:225815,O=C(ON1C(=O)CCC1=O)c1cccc(-c2sccc2C2CCC2)c1-c1ccc(C2CC2)cc1C(F)(F)F,CAHWMHWZHNMRPN-UHFFFAOYSA-N
-rxn:5:189319:225833:226663,CC(C)(C)OC(=O)c1nc(-c2ccc(N3CCSCC3)nc2)ccc1-c1ccnc(N2CCCCC2)c1F,PKWZVPKICGTKEY-UHFFFAOYSA-N
-rxn:5:189321:226663:225833,CC(C)(C)OC(=O)c1nc(-c2ccc(N3CCSCC3)nc2)ccc1-c1ccnc(N2CCCCC2)c1F,PKWZVPKICGTKEY-UHFFFAOYSA-N
-rxn:5:189322:226663:225833,CC(C)(C)OC(=O)c1cc(-c2ccc(N3CCSCC3)nc2)cnc1-c1ccnc(N2CCCCC2)c1F,VKRLGVQKWVPNKZ-UHFFFAOYSA-N
-rxn:5:189322:226794:225833,CC(C)(C)OC(=O)c1cc(-c2cnc(N3CCSCC3)nc2)cnc1-c1ccnc(N2CCCCC2)c1F,DNTZABBFBRYQSH-UHFFFAOYSA-N
-rxn:5:189334:226663:225872,CC(C)(C)OC(=O)c1ncc(-c2ccc(N3CCSCC3)nc2)cc1-c1cc(F)c(F)c(N2CCCC2)c1,WHWJWBSMWDEYEC-UHFFFAOYSA-N
-rxn:5:189334:226794:225679,CC(C)(C)OC(=O)c1ncc(-c2cnc(N3CCSCC3)nc2)cc1-c1ccc(N2CCCCC2)cc1F,GLSAPVXNCSMMHC-UHFFFAOYSA-N
-rxn:5:189448:226664:226663,COC1CN(C(=O)c2ccc(-c3cc(N4CCCC4)ncc3F)c(-c3ccc(N4CCSCC4)nc3)c2)C1,DWIMZAPUINXOBQ-UHFFFAOYSA-N
-rxn:5:189448:226664:226794,COC1CN(C(=O)c2ccc(-c3cc(N4CCCC4)ncc3F)c(-c3cnc(N4CCSCC4)nc3)c2)C1,LQIKAODPVQPRCV-UHFFFAOYSA-N
-rxn:5:189448:226679:226663,COC1CN(C(=O)c2ccc(-c3cnc(N4CCCC4)cc3F)c(-c3ccc(N4CCSCC4)nc3)c2)C1,HUIKJARPVSDRIZ-UHFFFAOYSA-N
-rxn:5:189448:226679:226794,COC1CN(C(=O)c2ccc(-c3cnc(N4CCCC4)cc3F)c(-c3cnc(N4CCSCC4)nc3)c2)C1,JVVXFJVFRPSCIZ-UHFFFAOYSA-N
-rxn:5:189448:226794:223065,COC1CN(C(=O)c2ccc(-c3cnc(N4CCSCC4)nc3)c(-c3ccc(N4CCNCC4)cc3F)c2)C1,WVUSJMUTZHCPCS-UHFFFAOYSA-N
-rxn:5:189449:226794:225976,COC1CN(C(=O)c2cc(-c3ccnc(N4CCOCC4)c3F)ccc2-c2cnc(N3CCSCC3)nc2)C1,ILRPBNNCPAMNGN-UHFFFAOYSA-N
-rxn:5:189449:226794:226664,COC1CN(C(=O)c2cc(-c3cc(N4CCCC4)ncc3F)ccc2-c2cnc(N3CCSCC3)nc2)C1,MUOBEMMOHSJSKJ-UHFFFAOYSA-N
-rxn:5:189449:226794:226679,COC1CN(C(=O)c2cc(-c3cnc(N4CCCC4)cc3F)ccc2-c2cnc(N3CCSCC3)nc2)C1,FMNGBXZFMUVCFO-UHFFFAOYSA-N
-rxn:5:189668:225439:227052,CC(c1cccc(-c2cc(-c3ccc(SC(C)(C)C)cc3)ccc2CC(=O)N2CCCC2)c1)N1CCCC1,FZUGKVJVFMQQFG-UHFFFAOYSA-N
-rxn:5:189673:225407:226918,CC(C)(C)S(=O)/N=C/c1ccc(-c2ccc(C3CCCCCC3)cc2)cc1-c1ccc(C2=CCCC2)cc1,IBUKJGABBJLHRX-YRRMYEEHSA-N
-rxn:5:189674:225407:223215,CC(C)(C)S(=O)/N=C/c1ccc(-c2ccc3c(c2)NC(=O)CC3)cc1-c1ccc(C2CCCCCC2)cc1,DZCBRPSNEZHZAZ-PPOKSSTKSA-N
-rxn:5:189674:226062:223189,CC(C)c1cc(-c2cc(-c3ccc(NS(C)(=O)=O)cc3F)ccc2/C=N/S(=O)C(C)(C)C)cc(C(C)C)c1,JWNZAYNIWBZIKV-KCSSXMTESA-N
-rxn:5:189676:225453:227064,CC(C)(C)Oc1ccccc1-c1ccc(CC(=O)N2CCCC2)cc1-c1cccc(SC2CCCCC2)c1,AZHYFQYJAPOWAE-UHFFFAOYSA-N
-rxn:5:189829:225451:227872,COc1c(-c2ccc(SC3CCCCC3)cc2)cc(C(=O)N2CCCC2)cc1-c1ccc2c(c1)CCC2=O,BCHZAHYMNMGXOW-UHFFFAOYSA-N
-rxn:5:189829:225453:228176,COCc1ccc(-c2cc(C(=O)N3CCCC3)cc(-c3cccc(SC4CCCCC4)c3)c2OC)cc1F,BOSPGEZZAJXQLY-UHFFFAOYSA-N
-rxn:5:189952:223113:226645,COc1c(-c2ccnc(N3CCOCC3)c2)cc(C(=O)N2CCOCC2)cc1-c1ccc2c(c1)C(C)(C)C(=O)N2,LFGCJDPTTRFDMJ-UHFFFAOYSA-N
-rxn:5:190000:227349:226069,COc1cc(C)cc(-c2cc(-c3cccc(C4CCCCC4)c3)ccc2CC(=O)N2CCCCC2)c1OC,INTALGQNJIGLMF-UHFFFAOYSA-N
-rxn:5:190000:227933:225451,CCc1ccc(OC)cc1-c1cc(-c2ccc(SC3CCCCC3)cc2)ccc1CC(=O)N1CCCCC1,TULRSRPWFPKVFT-UHFFFAOYSA-N
-rxn:5:190001:225453:227349,COc1cc(C)cc(-c2ccc(CC(=O)N3CCCCC3)cc2-c2cccc(SC3CCCCC3)c2)c1OC,DXSFTDZIBCMRLT-UHFFFAOYSA-N
-rxn:5:190127:227935:225451,CCc1cc(-c2ccc(-c3ccc(SC4CCCCC4)cc3)c(C(=O)N3CCC(OC)CC3)c2)ccc1OC,FCFLVXJPRMUQPS-UHFFFAOYSA-N
-rxn:5:190128:226736:223294,COC1CCN(C(=O)c2ccc(-c3ccc(C(F)(F)F)cc3C#N)c(-c3csc(N4CCNCC4)n3)c2)CC1,YXRAHHGXTXDTDM-UHFFFAOYSA-N
-rxn:5:190128:227941:226150,COCc1cc(C)cc(-c2ccc(C(=O)N3CCC(OC)CC3)cc2-c2cccc(SC3CCCC3)c2)c1,ZMXVRPLULBZMER-UHFFFAOYSA-N
-rxn:5:190131:226067:227932,COCc1ccc(C)c(-c2cc(C(=O)N3CCCCC3)cc(-c3ccc(C4=CCCCC4)cc3)c2OC)c1,GWUHPNSEQAVULR-UHFFFAOYSA-N
-rxn:5:190132:227052:227592,COc1cc(F)cc(-c2cc(-c3ccc(SC(C)(C)C)cc3)ccc2C(=O)N2CCC(OC)CC2)c1OC,QRKDDEBQDWPIQY-UHFFFAOYSA-N
-rxn:5:190194:223061:227906,CCC(C)c1ncccc1-c1c(CN2CCC(OC)CC2)cccc1-c1cc(C2CCNCC2)ncc1F,CYMKOTPRWUSGOP-UHFFFAOYSA-N
-rxn:5:190194:223064:227906,CCC(C)c1ncccc1-c1c(CN2CCC(OC)CC2)cccc1-c1ccc(C2CCNCC2)nc1F,QTZIWCGRKVKVDC-UHFFFAOYSA-N
-rxn:5:190194:227906:223064,CCC(C)c1ncccc1-c1cccc(CN2CCC(OC)CC2)c1-c1ccc(C2CCNCC2)nc1F,RINRBFXADDUGNQ-UHFFFAOYSA-N
-rxn:5:190195:223113:225881,CN(Cc1ccc(-c2ccc3c(c2)C(C)(C)C(=O)N3)c(-c2ccc(C3CCOCC3)nc2F)c1)C1CCOCC1,ALFFOTOCOKSVAW-UHFFFAOYSA-N
-rxn:5:190195:225881:223113,CN(Cc1ccc(-c2ccc(C3CCOCC3)nc2F)c(-c2ccc3c(c2)C(C)(C)C(=O)N3)c1)C1CCOCC1,PZOIGEWXCXDEDC-UHFFFAOYSA-N
-rxn:5:190195:225886:225440,CN(Cc1ccc(-c2ccc3c(ccn3S(C)(=O)=O)c2)c(-c2ccc(C3(C#N)CCCC3)cc2)c1)C1CCOCC1,OSQCPHXWDZAKLJ-UHFFFAOYSA-N
-rxn:5:190199:223113:223056,CN(Cc1cc(-c2ccc(N3CCC(O)CC3)nc2)ccc1-c1ccc2c(c1)C(C)(C)C(=O)N2)C1CCOCC1,DQFCSXXIYBMKEE-UHFFFAOYSA-N
-rxn:5:190199:225407:225886,CN(Cc1cc(-c2ccc3c(ccn3S(C)(=O)=O)c2)ccc1-c1ccc(C2CCCCCC2)cc1)C1CCOCC1,QTHHQVJGUBYFMZ-UHFFFAOYSA-N
-rxn:5:190199:225598:223113,CN(Cc1cc(-c2ccc3c(c2)C(C)(C)C(=O)N3)ccc1-c1cccc(CN2CCSCC2)c1)C1CCOCC1,SIXGJGREDRIMME-UHFFFAOYSA-N
-rxn:5:190200:226758:228211,COc1ccc(-c2cc(CN(C)C3CCOCC3)cc(-c3cc(N4CCCC4)cs3)c2)cc1C(F)(F)F,ZWEQGTVKVHFNTA-UHFFFAOYSA-N
-rxn:5:190201:223062:223113,CC1CN(CCc2cc(-c3cnc(C4CCNCC4)cc3F)ccc2-c2ccc3c(c2)C(C)(C)C(=O)N3)CCO1,PMLKXWUZYDDXLX-UHFFFAOYSA-N
-rxn:5:190201:227684:223113,CC1CN(CCc2cc(-c3cnn(CC4OCCO4)c3)ccc2-c2ccc3c(c2)C(C)(C)C(=O)N3)CCO1,BZXAEOAOESZXSI-UHFFFAOYSA-N
-rxn:5:190201:228233:225587,CC(=O)c1cc(C)c(-c2ccc(-c3cccc(CN4CCOCC4)c3)c(CCN3CCOC(C)C3)c2)cn1,XJGRLNDETIVXPP-UHFFFAOYSA-N
-rxn:5:190265:223284:227048,CC1CCCN(C(=O)Cc2ccc(-c3ccc(C(=O)C(C)C)cc3)c(-c3ccc(NS(C)(=O)=O)cc3)c2)C1,KWPCHBLKBJDKSD-UHFFFAOYSA-N
-rxn:5:190265:225849:228588,CC#Cc1cc(-c2ccc(CC(=O)N3CCCC(C)C3)cc2-c2cnc(N3CCCCC3)cc2F)ccn1,NNKNGULWDRLQLC-UHFFFAOYSA-N
-rxn:5:190265:227052:226150,CC1CCCN(C(=O)Cc2ccc(-c3cccc(SC4CCCC4)c3)c(-c3ccc(SC(C)(C)C)cc3)c2)C1,DZCDFTSJINROAD-UHFFFAOYSA-N
-rxn:5:190265:227810:223189,CCC(C)c1ccc(-c2cc(CC(=O)N3CCCC(C)C3)ccc2-c2ccc(NS(C)(=O)=O)cc2F)cc1,JAVHXFBNKRJRHA-UHFFFAOYSA-N
-rxn:5:190308:225407:225886,CC1CCCN(CCc2cc(-c3ccc(C4CCCCCC4)cc3)ccc2-c2ccc3c(ccn3S(C)(=O)=O)c2)C1,VSQDADMCXHWBNP-UHFFFAOYSA-N
-rxn:5:190309:225679:225886,CC1CCCCN1CCc1cc(-c2ccc(N3CCCCC3)cc2F)ccc1-c1ccc2c(ccn2S(C)(=O)=O)c1,AZZXQLQUXKGTMI-UHFFFAOYSA-N
-rxn:5:190335:226414:227079,COc1c(-c2ccc(C3=NCCCO3)cc2)cc(C(=O)N2CCCCC2C)cc1-c1cc(CC(C)C)ccc1F,ROTLIIJKUACKAE-UHFFFAOYSA-N
-rxn:5:190337:226150:227815,CCC(C)c1ccccc1-c1cc(C(=O)N2CCC(C)CC2)cc(-c2cccc(SC3CCCC3)c2)c1OC,SUFRCEGXXSBFQL-UHFFFAOYSA-N
-rxn:5:190404:226136:225798,Cc1cc(C#N)c(-c2ccc(C(=O)N3CCSC(c4ccccc4-c4ccc(OC5CCOCC5)nc4)CC3)o2)cc1C1CC1,KQSACOZGSGUQBD-UHFFFAOYSA-N
-rxn:5:190418:227662:225794,Cc1ccc(-c2ccc(CC3CC(=O)N(c4ccc(-c5cnc(OC6CCCCC6)nc5)cc4C)C3=O)cc2)c(C(F)(F)F)c1,ZSDGXLXTDADGID-UHFFFAOYSA-N
-rxn:5:190459:225640:225886,CC1CCCCN1c1cc(-c2ccccc2C(=O)N2CCSC(c3ccccc3-c3ccc4c(ccn4S(C)(=O)=O)c3)CC2)ccn1,AIXRMKMGGDPZEJ-UHFFFAOYSA-N
-rxn:5:190484:223421:227089,CNC(C)c1ccc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4ccncc4C4CCCC4)S(=O)(=O)CC3)c2)s1,JJVCOXFJNDQCRU-UHFFFAOYSA-N
-rxn:5:190484:226062:226200,CC(C)c1cc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4ccc5c(c4)ncn5C(C)C)S(=O)(=O)CC3)c2)cc(C(C)C)c1,VJVNMFOIFYNMDI-UHFFFAOYSA-N
-rxn:5:190484:226062:227103,CC(C)c1cc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4sccc4C4CCCCC4)S(=O)(=O)CC3)c2)cc(C(C)C)c1,TYAHGPKQTRHWOV-UHFFFAOYSA-N
-rxn:5:190484:227810:227705,CCC(C)c1ccc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4cnc(C(F)F)cc4OC)S(=O)(=O)CC3)c2)cc1,UOADKLRFQLUGGE-UHFFFAOYSA-N
-rxn:5:190484:227971:226441,CC(C)(C)c1ccncc1-c1cccc(C(=O)N2CCC(c3ccccc3-c3ccc(N4CCCC4)cc3F)S(=O)(=O)CC2)c1,ZMLICEJKJPLGMH-UHFFFAOYSA-N
-rxn:5:190484:227996:227103,CC(=O)c1ccc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4sccc4C4CCCCC4)S(=O)(=O)CC3)c2)c(C)c1,OBHGCBOKFZSAPW-UHFFFAOYSA-N
-rxn:5:190484:228274:227045,CSc1cc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4cccc(SC(C)(C)C)c4)S(=O)(=O)CC3)c2)c(F)cc1C,HMPUTWPRXWGZDT-UHFFFAOYSA-N
-rxn:5:190484:228586:226085,CC(C)c1ncccc1-c1cccc(C(=O)N2CCC(c3ccccc3-c3ccc4c(c3)CCC(C)(C)O4)S(=O)(=O)CC2)c1,BYMBKPQPNCSCPS-UHFFFAOYSA-N
-rxn:5:190484:228965:223138,O=C(c1cccc(-c2ccc([N+](=O)[O-])nc2)c1)N1CCC(c2ccccc2-c2ccnc(C3CCNCC3)c2)S(=O)(=O)CC1,ZGVZFVPWWWFCRU-UHFFFAOYSA-N
-rxn:5:190645:223054:223063,CCOC(=O)c1cnc2ccc(-c3ccc(C(C)N4CCC(O)C4)s3)cc2c1-c1cc(F)nc(C2CCNCC2)c1,KKOGRSOZFCZLOA-UHFFFAOYSA-N
-rxn:5:190740:223056:225849,CCOC(=O)c1cnc2c(C)cc(-c3ccc(N4CCC(O)CC4)nc3)cc2c1-c1cnc(N2CCCCC2)cc1F,SXKJGACBTAPKRD-UHFFFAOYSA-N
-rxn:5:190740:223056:225976,CCOC(=O)c1cnc2c(C)cc(-c3ccc(N4CCC(O)CC4)nc3)cc2c1-c1ccnc(N2CCOCC2)c1F,HKYGISSRGWRZAD-UHFFFAOYSA-N
-rxn:5:190740:225636:225833,CCOC(=O)c1cnc2c(C)cc(-c3ccnc(N4CCC(C)CC4)c3)cc2c1-c1ccnc(N2CCCCC2)c1F,PEYRDMRIXUVJJF-UHFFFAOYSA-N
-rxn:5:190740:225636:225849,CCOC(=O)c1cnc2c(C)cc(-c3ccnc(N4CCC(C)CC4)c3)cc2c1-c1cnc(N2CCCCC2)cc1F,KPSDZOSGVZNXAV-UHFFFAOYSA-N
-rxn:5:190740:225639:225849,CCOC(=O)c1cnc2c(C)cc(-c3cccnc3N3CCC(C)CC3)cc2c1-c1cnc(N2CCCCC2)cc1F,JKPLJHSTHBJYHS-UHFFFAOYSA-N
-rxn:5:190740:225640:225849,CCOC(=O)c1cnc2c(C)cc(-c3ccnc(N4CCCCC4C)c3)cc2c1-c1cnc(N2CCCCC2)cc1F,KOIHSEOJEMMZES-UHFFFAOYSA-N
-rxn:5:190740:225641:225849,CCOC(=O)c1cnc2c(C)cc(-c3ccnc(N4CCCC(C)C4)c3)cc2c1-c1cnc(N2CCCCC2)cc1F,ZMUKOAHBDZJSOL-UHFFFAOYSA-N
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-rxn:5:190859:227065:226150,CC(C)C(=O)c1cccc(-c2ccc3c(c2-c2cccc(SC4CCCC4)c2)CCN3C(=O)OC(C)(C)C)c1,KAHLJKRTJOSTDQ-UHFFFAOYSA-N
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-rxn:5:193338:226197:226686,Cc1cnn(C2CCCCO2)c1-c1cc(CN2CCOCC2)cc(-c2ccc(C3CCCOC3)cc2)c1,WVASFUJUADCMJK-UHFFFAOYSA-N
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-rxn:5:193382:227656:223285,CS(=O)(=O)Nc1ccccc1-c1cc(-c2cc(N3CCOCC3)cs2)ccc1S(=O)(=O)N1CCOCC1,XDVPYTIBCPJYAU-UHFFFAOYSA-N
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-rxn:5:193462:225498:227371,COc1c(C)ccc(-c2ccc(-c3cc(C4CCCCC4)ccc3F)cc2CN2CCC(=O)CC2)c1OC,CUTQBNMLGHONDR-UHFFFAOYSA-N
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-rxn:5:193506:228431:226762,CSc1cc(-c2cc(-c3cc(F)cc(F)c3SC)ccc2S(=O)(=O)N2CCC(=O)CC2)cc(C(F)(F)F)c1,WSKUTCKFEWPXET-UHFFFAOYSA-N
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-rxn:5:193752:223285:226059,CC1CCCN(C(=O)c2ccc(-c3ccccc3NS(C)(=O)=O)c(-c3ccc(C(C)C)cc3C(C)C)c2)C1,CLVSJFLDTVNTID-UHFFFAOYSA-N
-rxn:5:193754:227344:225820,CC1CCN(C(=O)c2cccc(-c3ccc(OC(C)C)c(F)c3)c2-c2c(C3CC3)cccc2C(F)(F)F)CC1,XONGOWOBZJCLEH-UHFFFAOYSA-N
-rxn:5:193756:223136:226366,CC1CCCCN1C(=O)c1ccc(-c2ccncc2C2CCCNC2)cc1-c1ccnc(N2CCCCC2)c1,NRIFBQYXLOWIIW-UHFFFAOYSA-N
-rxn:5:193756:225499:225886,CC1CCCCN1C(=O)c1ccc(-c2ccc(C3CCCCC3)cc2F)cc1-c1ccc2c(ccn2S(C)(=O)=O)c1,NFUYNPKBSWSZRE-UHFFFAOYSA-N
-rxn:5:193756:225591:228320,COC(=O)c1cc(-c2cc(-c3cc(CN4CCCC4)ccc3F)ccc2C(=O)N2CCCCC2C)ccn1,APRISAXARDLWKG-UHFFFAOYSA-N
-rxn:5:193756:225640:225819,CC1CCCCN1C(=O)c1ccc(-c2ccnc(N3CCCCC3C)c2)cc1-c1cc(C(F)(F)F)ccc1C1CC1,QHHWLCAISVVDGR-UHFFFAOYSA-N
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-rxn:5:193756:226438:226849,COc1nccc(-c2cc(-c3cnc(C4CCCC4)cc3F)ccc2C(=O)N2CCCCC2C)c1C(F)(F)F,JJZFDLYYSVQPGB-UHFFFAOYSA-N
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-rxn:5:193807:226686:226197,Cc1cnn(C2CCCCO2)c1-c1c(CN2CCC(C)CC2)cccc1-c1ccc(C2CCCOC2)cc1,VYCYUAKVZUNJSC-UHFFFAOYSA-N
-rxn:5:193808:226182:227390,CC1CCN(Cc2cc(-c3cccnc3C3CCCCC3)ccc2-c2ccnn2C2CCCCC2)CC1,HFIYGDGKSXZYDP-UHFFFAOYSA-N
-rxn:5:193808:227446:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(-c2ccc(C3OCCO3)cc2)cc1CN1CCC(C)CC1,UREJZSZXWDJKHL-UHFFFAOYSA-N
-rxn:5:193866:225436:228621,CSc1cc(C)ccc1-c1cc(C2(N3CCC(=O)CC3)CC2)ccc1-c1ccc(CN2CCCCC2)cc1,MYLUBSUMQXVQLE-UHFFFAOYSA-N
-rxn:5:193866:225601:227826,CC(C)(C)c1cccc(-c2cc(C3(N4CCC(=O)CC4)CC3)ccc2-c2ccc(C3(C#N)CCC3)cc2F)c1,UZOCWWWXIFHXDR-UHFFFAOYSA-N
-rxn:5:193866:225886:226175,Cc1cc(N2CCCC2)ccc1-c1cc(C2(N3CCC(=O)CC3)CC2)ccc1-c1ccc2c(ccn2S(C)(=O)=O)c1,FMENZUPZZHRSEI-UHFFFAOYSA-N
-rxn:5:193869:225594:228808,CSc1cc(F)cc(-c2cc(S(=O)(=O)N3CCCCC3)c(-c3ccc(F)cc3CN3CCCC3)cc2C)c1,GMMNQGWCRTUEIU-UHFFFAOYSA-N
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-rxn:5:193869:227052:226919,Cc1cc(-c2ccc(SC(C)(C)C)cc2)c(S(=O)(=O)N2CCCCC2)cc1-c1cccc(C2CCCC2)c1,IUFUVHWZNZJRTA-UHFFFAOYSA-N
-rxn:5:193869:227506:223148,Cc1cc(-c2cccc(/C=C/[N+](=O)[O-])c2)c(S(=O)(=O)N2CCCCC2)cc1-c1ccccc1C1CNCCO1,INZBTFCYILXHOI-FOWTUZBSSA-N
-rxn:5:193870:228868:223146,COC(=O)c1ccc(-c2cc(-c3cccc(C4CNCCO4)c3)c(S(=O)(=O)N3CCCCC3)cc2C)s1,NKUYZSLYURTNJN-UHFFFAOYSA-N
-rxn:5:193871:226758:228283,COc1ccc(-c2cc(C(=O)N3CCC4(CC3)CC4)ccc2-c2ccc(F)cc2C(C)=O)cc1C(F)(F)F,RWUKDNHFQBJDJN-UHFFFAOYSA-N
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-rxn:5:193932:226059:223284,CC1CC(C)CN(C(=O)c2ccc(-c3ccc(NS(C)(=O)=O)cc3)c(-c3ccc(C(C)C)cc3C(C)C)c2)C1,CZAGTEPTISWBNO-UHFFFAOYSA-N
-rxn:5:193932:227558:223284,Cc1cc(OC(F)F)ccc1-c1cc(C(=O)N2CC(C)CC(C)C2)ccc1-c1ccc(NS(C)(=O)=O)cc1,HFBAEBGFFGNRMK-UHFFFAOYSA-N
-rxn:5:193932:227785:227131,CC1CC(C)CN(C(=O)c2ccc(-c3cccc(C4CCOC4)c3)c(-c3ccc(F)nc3C(F)(F)F)c2)C1,SSHWYVPVPMTSLW-UHFFFAOYSA-N
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-rxn:5:193972:226070:226058,Cc1cc(-c2ccc3c(ccn3C(C)C)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1c(C(C)C)cccc1C(C)C,CBHKDRKYOJIWKS-UHFFFAOYSA-N
-rxn:5:193972:226382:228256,COc1cc(-c2cc(S(=O)(=O)N3CCCCCC3)c(-c3cnc(C4CCCCC4)nc3)cc2C)cc(C)c1F,TVMKFJJYDYHNMK-UHFFFAOYSA-N
-rxn:5:193972:226794:228747,Cc1cc(-c2cnc(N3CCSCC3)nc2)c(S(=O)(=O)N2CCCCCC2)cc1-c1c(F)cccc1C#N,DLALOFBIGWIHFQ-UHFFFAOYSA-N
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-rxn:5:193972:227052:225886,Cc1cc(-c2ccc(SC(C)(C)C)cc2)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc2c(ccn2S(C)(=O)=O)c1,IPIVXGFVOZQBGY-UHFFFAOYSA-N
-rxn:5:193972:227052:227970,Cc1cc(-c2ccc(SC(C)(C)C)cc2)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccncc1C(C)(C)C,HVCMMIPFTRRISR-UHFFFAOYSA-N
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-rxn:5:193972:228417:226959,Cc1cc(-c2ccc(F)c(C(F)F)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc2c(c1)CC(C)(C)O2,BQFXTDGQJUJJJO-UHFFFAOYSA-N
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-rxn:5:193972:229239:226031,CSc1ccsc1-c1cc(C)c(-c2ccc(C(F)(F)F)cc2C(F)F)cc1S(=O)(=O)N1CCCCCC1,RGFPGUPCSASFDC-UHFFFAOYSA-N
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-rxn:5:194575:226044:223133,COc1c([N+](=O)[O-])cc(F)c(F)c1-c1ccccc1S(=O)(=O)N1CCc2sc(-c3ccccc3N3CCNCC3)cc2C1,PNCOCDHFZWZYSO-UHFFFAOYSA-N
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-rxn:5:194791:227656:226051,O=C1C2C(c3ccc(-c4c(OC(F)(F)F)ccc(F)c4F)cc3)OC3(C(=O)c4ccccc4C3=O)C2C(=O)N1c1ccccc1-c1cc(N2CCOCC2)cs1,QGMOZUGUGUAWEM-UHFFFAOYSA-N
-rxn:5:194791:227717:228016,O=C1C2C(c3ccc(-c4cc(C5CCCC5)cs4)cc3)OC3(C(=O)c4ccccc4C3=O)C2C(=O)N1c1ccccc1-c1ccc(F)cc1OC(F)F,KVSHVHDDWRVYCB-UHFFFAOYSA-N
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-rxn:5:196188:225832:223002,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2ccc(C3CCNCC3)cc2F)ccc1C1=NOCC1,LABXFRZMLANYQB-UHFFFAOYSA-N
-rxn:5:196408:225656:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(C2=NOCCO2)c(-c2cncc(N3CCCCC3C)c2)c1,MEDXGMJQASJJCD-UHFFFAOYSA-N
-rxn:5:196408:227613:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(C2=NOCCO2)c(-c2cnn(C3CCOCC3)c2)c1,HXADKCZVSZPISA-UHFFFAOYSA-N
-rxn:5:196790:223141:225655,CC1CCN(c2cncc(-c3ccc(N4CCOCC4=O)c(-c4cncc(C5CCNCC5)c4)c3)c2)CC1,MSRFIONOTCRDJB-UHFFFAOYSA-N
-rxn:5:196858:225598:226686,Cc1cnn(C2CCCCO2)c1-c1cc(C2CCOCC2)ncc1-c1cccc(CN2CCSCC2)c1,NDWDORKGILKTTL-UHFFFAOYSA-N
-rxn:5:196859:225466:222958,Cc1ccc(-c2nccc(C3CCOCC3)c2-c2ccc(N3CCCCC3C)cc2)cc1C1CCNCC1,SLUDJWVIUPQZHG-UHFFFAOYSA-N
-rxn:5:196859:225639:226686,Cc1cnn(C2CCCCO2)c1-c1nccc(C2CCOCC2)c1-c1cccnc1N1CCC(C)CC1,HWRUCDPYAHKAGX-UHFFFAOYSA-N
-rxn:5:196859:226414:225832,Cc1nn(C2CCCCO2)c(C)c1-c1nccc(C2CCOCC2)c1-c1ccc(C2=NCCCO2)cc1,CTOFTURAKGUENN-UHFFFAOYSA-N
-rxn:5:196871:225832:226181,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2ccc(C3=CCCCC3)nc2)cc1N1CCOCC1,BMJVCKAKWHRZLN-UHFFFAOYSA-N
-rxn:5:196871:226686:225469,Cc1cnn(C2CCCCO2)c1-c1ccc(-c2ccc(N3CCCC(C)C3)cc2)cc1N1CCOCC1,RATYHXKMOCPQLA-UHFFFAOYSA-N
-rxn:5:196873:225982:225849,Fc1cc(N2CCCCC2)ncc1-c1cc(N2CCOCC2)ccc1-c1cnc(N2CCOCC2)cc1F,UXUPPURUGYIKBU-UHFFFAOYSA-N
-rxn:5:196917:226062:225450,CC(C)c1cc(-c2ccc(-c3ccc(C(=O)C4CCCC4)cc3)cc2C2=NC(C)(C)CO2)cc(C(C)C)c1,HQBCJECKDYQSHL-UHFFFAOYSA-N
-rxn:5:196919:225804:223294,CC1(C)COC(c2ccc(-c3ccc(C(=O)N4CCC4)c(F)c3)cc2-c2csc(N3CCNCC3)n2)=N1,JAVJRJURPKZJCS-UHFFFAOYSA-N
-rxn:5:196919:226794:225804,CC1(C)COC(c2ccc(-c3cnc(N4CCSCC4)nc3)cc2-c2ccc(C(=O)N3CCC3)c(F)c2)=N1,MSIGZTAGTHPTJZ-UHFFFAOYSA-N
-rxn:5:196923:226736:225461,Cc1cc(N2CCCCC2)ccc1-c1cc(N2CCCCC2=O)ccc1-c1ccc(C(F)(F)F)cc1C#N,NHQWPIVTHPGOIC-UHFFFAOYSA-N
-rxn:5:196971:222957:225438,Cc1cc(-c2cc(-c3ccc(C(C)N4CCCC4)cc3)c(C3CCCCC3)cn2)cc(C2CCCNC2)c1,UFDQLKSSWPEFEX-UHFFFAOYSA-N
-rxn:5:196971:225655:226686,Cc1cnn(C2CCCCO2)c1-c1cc(-c2cncc(N3CCC(C)CC3)c2)ncc1C1CCCCC1,SGYPVTUHABOFJR-UHFFFAOYSA-N
-rxn:5:196977:226686:225472,Cc1cnn(C2CCCCO2)c1-c1ccc(N2CCCCC2)cc1-c1cccc(N2CCCCC2C)c1,NADPDKSNDDGEIB-UHFFFAOYSA-N
-rxn:5:196977:226686:225654,Cc1cnn(C2CCCCO2)c1-c1ccc(N2CCCCC2)cc1-c1ccc(N2CCCC(C)C2)nc1,VCLPZSYFQIYFNC-UHFFFAOYSA-N
-rxn:5:197876:225453:228802,CC(C)(C)N1C(=O)c2cc(-c3ccccc3C(F)F)c(-c3cccc(SC4CCCCC4)c3)cc2S1(=O)=O,YWGAIEZAXRVDNV-UHFFFAOYSA-N
-rxn:5:197876:225677:227820,CC(C)(C)c1ccc(-c2cc3c(cc2-c2ccc(C4CCCCC4)nc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1,CGQFKUZBSKAJLP-UHFFFAOYSA-N
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-rxn:5:197876:226190:227838,Cc1ccc(C2CC2)c(-c2cc3c(cc2-c2ccc(C4CCCC4)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,DONQQYPKNVCSRZ-UHFFFAOYSA-N
-rxn:5:197876:226432:227052,CC(C)(C)Sc1ccc(-c2cc3c(cc2-c2ccc(C4CCCC4)nc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1,BHDBOCDZKDOALR-UHFFFAOYSA-N
-rxn:5:197876:226590:226686,Cc1cnn(C2CCCCO2)c1-c1cc2c(cc1-c1ccc(OC3CCOC3)nc1)S(=O)(=O)N(C(C)(C)C)C2=O,YTBHIGJUVNBYFS-UHFFFAOYSA-N
-rxn:5:197876:226762:223271,CSc1cc(-c2cc3c(cc2-c2ccc(F)c(NC(C)=O)c2)C(=O)N(C(C)(C)C)S3(=O)=O)cc(C(F)(F)F)c1,RWVPLYZAXPQNAU-UHFFFAOYSA-N
-rxn:5:197876:227045:227103,CC(C)(C)Sc1cccc(-c2cc3c(cc2-c2sccc2C2CCCCC2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,PMTFLAOKYGQMAG-UHFFFAOYSA-N
-rxn:5:197876:227046:225407,Cc1cc(OC(C)C)cc(-c2cc3c(cc2-c2ccc(C4CCCCCC4)cc2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,FCLPFHCVBAFPTL-UHFFFAOYSA-N
-rxn:5:197876:227313:227052,CCC(C)c1cc(-c2cc3c(cc2-c2ccc(SC(C)(C)C)cc2)C(=O)N(C(C)(C)C)S3(=O)=O)c(F)cn1,WTSANEWHNZWALS-UHFFFAOYSA-N
-rxn:5:197876:227412:226918,CC(C)(C)c1cc(F)c(-c2cc3c(cc2-c2ccc(C4=CCCC4)cc2)C(=O)N(C(C)(C)C)S3(=O)=O)cn1,BZSKDJNXCUAQRV-UHFFFAOYSA-N
-rxn:5:197876:227830:225451,CC1(c2ccc(-c3cc4c(cc3-c3ccc(SC5CCCCC5)cc3)C(=O)N(C(C)(C)C)S4(=O)=O)cc2)CC1,PPVDURMBUXDQCN-UHFFFAOYSA-N
-rxn:5:197876:227917:226762,CCc1ccc(OC)c(-c2cc3c(cc2-c2cc(SC)cc(C(F)(F)F)c2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,CFRHZULFRUUIJH-UHFFFAOYSA-N
-rxn:5:197876:227926:226174,CC(C)Sc1ccc(-c2cc3c(cc2-c2ccc(C4CCCCC4)nc2)C(=O)N(C(C)(C)C)S3(=O)=O)cc1,UCBAYUKUEMRHNG-UHFFFAOYSA-N
-rxn:5:197876:227937:225451,CC(C)Sc1cccc(-c2cc3c(cc2-c2ccc(SC4CCCCC4)cc2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,FSFOPRCGICBNTN-UHFFFAOYSA-N
-rxn:5:197876:227971:225498,CC(C)(C)c1ccncc1-c1cc2c(cc1-c1cc(C3CCCCC3)ccc1F)C(=O)N(C(C)(C)C)S2(=O)=O,TWBDHRFHCLIJAN-UHFFFAOYSA-N
-rxn:5:197876:227997:226058,CC(C)c1cccc(C(C)C)c1-c1cc2c(cc1-c1cc(C3CC3)ccc1F)S(=O)(=O)N(C(C)(C)C)C2=O,CISFWURWLIDNLJ-UHFFFAOYSA-N
-rxn:5:197876:228003:225407,CSc1cc(C)c(-c2cc3c(cc2-c2ccc(C4CCCCCC4)cc2)C(=O)N(C(C)(C)C)S3(=O)=O)c(C)c1,KBCXPVLHLGVKKF-UHFFFAOYSA-N
-rxn:5:197876:228260:226183,CC(F)(F)c1cccc(-c2cc3c(cc2-c2cnccc2C2CCCCC2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,UZIRLGLCEVVUHZ-UHFFFAOYSA-N
-rxn:5:197876:228415:226062,CC(C)c1cc(-c2cc3c(cc2-c2cc(F)ccc2C(F)F)S(=O)(=O)N(C(C)(C)C)C3=O)cc(C(C)C)c1,VAYYFTYKDXTYRH-UHFFFAOYSA-N
-rxn:5:197876:228420:225450,CSc1c(F)cc(-c2cc3c(cc2-c2ccc(C(=O)C4CCCC4)cc2)C(=O)N(C(C)(C)C)S3(=O)=O)cc1F,PCWMLGLJXMHIQU-UHFFFAOYSA-N
-rxn:5:197876:228437:225453,CC(C)(C)N1C(=O)c2cc(-c3cccc(SC4CCCCC4)c3)c(-c3ccc(C(F)F)cc3F)cc2S1(=O)=O,DLOJYPKBPZKSFU-UHFFFAOYSA-N
-rxn:5:197876:228509:225622,CC(C)c1ccc(-c2cc3c(cc2-c2ccccc2OC2CCCCO2)C(=O)N(C(C)(C)C)S3(=O)=O)cc1,AOWVYIZKINROEF-UHFFFAOYSA-N
-rxn:5:197876:228791:225439,CSc1ccc(-c2cc3c(cc2-c2cccc(C(C)N4CCCC4)c2)C(=O)N(C(C)(C)C)S3(=O)=O)c(F)c1,KGIZHIIWSHANTC-UHFFFAOYSA-N
-rxn:5:227975:178295:227313,CCC(C)c1cc(-c2ccc(-c3cccc([Si](C)(C)C)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)cn1,KGGBJUBLPPCIFV-UHFFFAOYSA-N
-rxn:5:227978:178295:223183,CNS(=O)(=O)c1ccc(-c2ccc(-c3cc(C(C)C)ccc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(C)c1,WVFOKZPUPQDRSB-UHFFFAOYSA-N
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-rxn:4:173340:224243,CCOC(=O)CC(=O)c1cc(-c2cc(F)cc(C(=O)N3CCCCC3C)c2)cc(C(F)(F)F)c1,LMIKJVDWJIKVJQ-UHFFFAOYSA-N
-rxn:4:173372:226844,O=C(c1cc(-c2ccc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc2)ccn1)C(F)(F)F,MWMZLBHGQYUTJQ-UHFFFAOYSA-N
-rxn:4:173433:224421,CCOC(=O)C(C(C)=O)c1ccc(OC)cc1-c1c(C(C)C)cc(C(C)C)cc1C(C)C,YTMKJOKRWOMEHD-UHFFFAOYSA-N
-rxn:4:173517:226844,CC(C)(C)OC(=O)C1(Oc2cc(C(F)(F)F)ccc2-c2ccnc(C(=O)C(F)(F)F)c2)CC1,HDXYGCPRORTFGB-UHFFFAOYSA-N
-rxn:4:173525:223888,COC(=O)C(CC(=O)c1cccc(C)c1)c1ccc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CCC3)cc1,FCEOAJRAUPPXEU-UHFFFAOYSA-N
-rxn:4:173532:224750,CC(C)COc1ccc(C(=O)OC(C)(C)C)cc1-c1ccc(Cl)c(C(=O)N2CCOCC2)c1,VLUSZLBUGVDWMS-UHFFFAOYSA-N
-rxn:4:173532:224842,CC(C)COc1ccc(C(=O)OC(C)(C)C)cc1-c1ccc2c(c1)C(C)(C)CCC2(C)C,ZNUKPXKTEFPDTL-UHFFFAOYSA-N
-rxn:4:173564:224360,COC(=O)c1ccc(-c2ccc(CCCO[Si](C)(C)C(C)(C)C)cc2)n1C(=O)OC(C)(C)C,OQAJCIDDRKJELX-UHFFFAOYSA-N
-rxn:4:173576:223809,CC1(C)COC(CCCCC(=O)c2ccc(Cl)c(-c3cc(N4CCOCC4)cc(N4CCOCC4)c3)c2)OC1,FRLCVYGYFHDALR-UHFFFAOYSA-N
-rxn:4:173596:225560,COc1ccc(OC)c(-c2c(C(C)C)cc(C(C)C)cc2C(C)C)c1-c1cccc(COC2CCOC2)c1,VWLYRYVMTJFUOF-UHFFFAOYSA-N
-rxn:4:173645:222621,COc1cc(-c2cc(CC(C)C)nc(C3CCCNC3)c2)cc2cc(C(=O)OC(C)C(=O)c3ccc(F)cc3)c(=O)oc12,OJKQFZYBQMDDBG-UHFFFAOYSA-N
-rxn:4:173661:222684,CCOC(=O)c1c(C)oc2cc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)c(OC(=O)c3ccccc3C)cc12,ANOBJDUFDCNXKU-UHFFFAOYSA-N
-rxn:4:173704:224082,CCC(C(=O)OC(C)(C)C)c1cccc(-c2ccc(O[Si](C(C)C)(C(C)C)C(C)C)c3c(OC)cccc23)c1,XHPUNFTUOWFHIE-UHFFFAOYSA-N
-rxn:4:173723:222520,CC(C)(C)OC(=O)Nc1cc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)ccc1C(F)(F)F,LTUFIFYKEYDZEN-UHFFFAOYSA-N
-rxn:4:173723:222540,O=C(COS(=O)(=O)C(F)(F)F)c1ccc(-c2cccc(C(=O)NCCN3CCCCC3)c2)cc1,ZYGJMOIIQCPRJK-UHFFFAOYSA-N
-rxn:4:173723:222583,O=C(COS(=O)(=O)C(F)(F)F)c1ccc(-c2ccc(C(=O)NCCN3CCOCC3)cc2)cc1,AICBUERRGHOYJR-UHFFFAOYSA-N
-rxn:4:173723:222674,O=C(COS(=O)(=O)C(F)(F)F)c1ccc(-c2cccc(C(=O)NC3CCCCC3)c2F)cc1,LCOVIKBLWAQJFK-UHFFFAOYSA-N
-rxn:4:173723:222710,COc1ccc(S(=O)(=O)NC(C)(C)C)cc1-c1ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc1,PPELLOLGBZPPMP-UHFFFAOYSA-N
-rxn:4:173723:222769,O=C(COS(=O)(=O)C(F)(F)F)c1ccc(-c2ccc(C(=O)NC3CCCC3)c(F)c2)cc1,UPIMGPYOCCBZET-UHFFFAOYSA-N
-rxn:4:173723:222796,Cc1ccc(S(=O)(=O)NC(C)(C)C)cc1-c1ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc1,BHHSZNXSTPRSNS-UHFFFAOYSA-N
-rxn:4:173723:222817,COc1ccc(S(=O)(=O)NC2CC2)cc1-c1ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc1,WRIJKUKRZJZMKK-UHFFFAOYSA-N
-rxn:4:173723:222819,O=C(COS(=O)(=O)C(F)(F)F)c1ccc(-c2ccc(NC(=O)N3CCOCC3)nc2)cc1,ZFXRKXMIKHBZPF-UHFFFAOYSA-N
-rxn:4:173723:222820,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)cc1F,DGJHFMYQQUJSIN-UHFFFAOYSA-N
-rxn:4:173723:222896,CC(C)(C)OC(=O)NCc1ccc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)s1,BNORCOPNWGUAKD-UHFFFAOYSA-N
-rxn:4:173723:223951,CN1CCN(CCOc2ccc(-c3ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc3)cc2F)CC1,NCMJNDYFUQCIMO-UHFFFAOYSA-N
-rxn:4:173723:223991,CC(C)(C)[Si](C)(C)Oc1c(F)cc(F)c(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)c1F,FISDIIPWNJGEPD-UHFFFAOYSA-N
-rxn:4:173723:224018,O=C(COS(=O)(=O)C(F)(F)F)c1ccc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCOCC2)cc1,BQWFQCZNQCQRBH-UHFFFAOYSA-N
-rxn:4:173723:224087,O=C(COS(=O)(=O)C(F)(F)F)c1ccc(-c2cccc(OCCN3CCCCCC3)c2)cc1,FUMSQPKKEHFDPW-UHFFFAOYSA-N
-rxn:4:173723:224088,O=C(COS(=O)(=O)C(F)(F)F)c1ccc(-c2ccc(OCCN3CCCCCC3)cc2)cc1,DBGMUCDABFWJRY-UHFFFAOYSA-N
-rxn:4:173723:224120,Cc1cc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)ccc1CO[Si](C)(C)C(C)(C)C,ZZTGVKPBNSVXQB-UHFFFAOYSA-N
-rxn:4:173723:224128,CN(C(=O)c1ccc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)cc1)C1CCCCC1,DNAGYJMVQREHTH-UHFFFAOYSA-N
-rxn:4:173723:224129,CN(C(=O)c1cccc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)c1)C1CCCCC1,ABAVWNHWIMUGCA-UHFFFAOYSA-N
-rxn:4:173723:224182,Cc1cc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)ccc1OCCN1CCOCC1,MTIXTLQUBVCHCI-UHFFFAOYSA-N
-rxn:4:173723:224247,CC1CCN(C(=O)c2ccc(-c3ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc3)c(F)c2)CC1,KKWZXYGUZHDLCE-UHFFFAOYSA-N
-rxn:4:173723:224248,CC1CCN(C(=O)c2ccc(-c3ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc3)cc2Cl)CC1,XNDPYWRVJRHULK-UHFFFAOYSA-N
-rxn:4:173723:224251,CC1CCCN(C(=O)c2ccc(-c3ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc3)c(F)c2)C1,RBIADPPLARTMEO-UHFFFAOYSA-N
-rxn:4:173723:224254,CC1CCCN(C(=O)c2cc(-c3ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc3)ccc2F)C1,DJYWLWOOJDGROJ-UHFFFAOYSA-N
-rxn:4:173723:224257,CC1CCCCN1C(=O)c1ccc(Cl)c(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)c1,FPHDZWNRPFEYNO-UHFFFAOYSA-N
-rxn:4:173723:224258,CC1CCCCN1C(=O)c1ccc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)c(Cl)c1,VGUUCDPZNUYTSG-UHFFFAOYSA-N
-rxn:4:173723:224285,O=C(COS(=O)(=O)C(F)(F)F)c1ccc(-c2ccc(OCCN3CCOCC3)cc2F)cc1,JBZAMHMJWAPGMT-UHFFFAOYSA-N
-rxn:4:173723:224291,O=C(COS(=O)(=O)C(F)(F)F)c1ccc(-c2ccc(OCCN3CCOCC3)c(F)c2)cc1,LGPSGSRJZBBTAM-UHFFFAOYSA-N
-rxn:4:173723:224301,CC(C)(C)[Si](C)(C)Oc1cc(F)c(F)c(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)c1,PEBABHPRQCSAMK-UHFFFAOYSA-N
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-rxn:4:178371:224719,COc1c(-c2cn(C(=O)OC(C)(C)C)nc2C(C)C)cc(C(C)(C)C)cc1C(C)(C)C,HONRMLYLAKNQBH-UHFFFAOYSA-N
-rxn:4:178381:225158,CC(C)(C)c1cc(C(C)(C)C)c(-c2ccc(C(=O)N3CCSCC3)cc2)c(C(C)(C)C)c1,MUONTCQTQVIXDI-UHFFFAOYSA-N
-rxn:4:178384:223908,COc1ccc(COc2cc(Cl)ccc2-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)cc1,XXXHXLOCBXRDDM-UHFFFAOYSA-N
-rxn:4:178384:226017,COc1cc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)ccc1OC(F)(F)F,GNPJYVLJFNJJOI-UHFFFAOYSA-N
-rxn:4:178384:227926,CC(C)Sc1ccc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)cc1,OWSGEPKQMRFUSR-UHFFFAOYSA-N
-rxn:4:178384:228820,Cc1ccc(F)c(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c1Cl,LKWGTKSBXKCNOI-UHFFFAOYSA-N
-rxn:4:178585:222945,CC(C)NS(=O)(=O)c1ccc(-c2ccc3c(c2)C(O[Si](C)(C)C(C)(C)C)CCO3)cc1F,DOXDUYJKBSUYCC-UHFFFAOYSA-N
-rxn:4:178597:224844,CCc1ccc(-c2ccc(-c3ccc(OC(=O)C4OC5OC(C)(C)OC5C5OC(C)(C)OC45)cc3)cc2)cc1,DFPJYRUHPPWLRB-UHFFFAOYSA-N
-rxn:4:178597:225209,Cc1nc(N2CCCCC2C)ncc1-c1ccc(OC(=O)C2OC3OC(C)(C)OC3C3OC(C)(C)OC23)cc1,GZTZMQLFWAOQBD-UHFFFAOYSA-N
-rxn:4:178597:227056,COc1cccc(C2CC2)c1-c1ccc(OC(=O)C2OC3OC(C)(C)OC3C3OC(C)(C)OC23)cc1,ALPWXIXNWILYBY-UHFFFAOYSA-N
-rxn:4:178597:227914,CC(C)Oc1ccccc1-c1ccc(OC(=O)C2OC3OC(C)(C)OC3C3OC(C)(C)OC23)cc1,HEDKUQUOOCNTEL-UHFFFAOYSA-N
-rxn:4:178881:223559,COC(=O)c1c(Cl)ccc(F)c1-c1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)OC(C)(C)C,KDXRMDUNHHHGTA-UHFFFAOYSA-N
-rxn:4:179312:223679,CCN1CCN(S(=O)(=O)c2c(C)cc(-c3cc(C(C)=O)cc(Cl)c3C(F)(F)F)cc2C)CC1,GDWHFACLIZAKFY-UHFFFAOYSA-N
-rxn:4:179745:223683,CC(C)(C)OC(=O)N1CCC(Oc2ncc(-c3cccc(C4(C(F)(F)F)COC4)c3)cn2)C1,IAUHEBRSTQKUIK-UHFFFAOYSA-N
-rxn:4:179837:223528,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3ccc(C(C)(C)C(F)(F)F)cc3)ccc2F)CC1,YDWJDJFMVLVFJD-UHFFFAOYSA-N
-rxn:4:179898:223581,COC(=O)c1cccc2cc(-c3ccc(C(F)(F)F)cc3C3OCCO3)n(C(=O)OC(C)(C)C)c12,LBGQZDZVGKBHRA-UHFFFAOYSA-N
-rxn:4:180034:222520,COc1c(-c2ccc(C(F)(F)F)c(NC(=O)OC(C)(C)C)c2)ccc(C2OCCO2)c1F,SQZYNJAOJHKMAZ-UHFFFAOYSA-N
-rxn:4:180271:223712,COc1ccc(-c2ccccc2SC2CCCCC2=O)cc1C12CC3CC(CC(C3)C1)C2,OLPGHIVYJDCYSS-UHFFFAOYSA-N
-rxn:4:180301:223712,COc1ccc(-c2ccc(C3(C)OCCO3)c(F)c2SC)cc1C12CC3CC(CC(C3)C1)C2,HQDAJXSRNVFUFO-UHFFFAOYSA-N
-rxn:4:180815:225126,COc1ccc(-c2cc(F)ccc2OCC2CCCO2)cc1C12CC3CC(CC(C3)C1)C2,WCWXNQMMAOULCS-UHFFFAOYSA-N
-rxn:4:180855:223872,CCN(C(=O)c1cccc(-c2ccc3c(c2)C2(c4ccccc4-3)c3cc(C(C)(C)C)ccc3-c3ccc(C(C)(C)C)cc32)c1)C1CCCCC1,WAIKFDVEQKXVLJ-UHFFFAOYSA-N
-rxn:4:182217:223559,CSc1ccc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)c2c1C(=O)CC2,GFVWZTVJIJOKJQ-UHFFFAOYSA-N
-rxn:4:182359:223976,COC1CCC2(CC1)Oc1ccc(-c3cc(OC4CCCC4)cc(OC(F)(F)F)c3)cc1C2=O,HBYZPDBSTHLCGZ-UHFFFAOYSA-N
-rxn:4:182372:224306,CO[C@H]1CC[C@]2(CC1)Cc1ccc(-c3ccc(C(F)(F)F)cc3OC3CCCC3)cc1C2=O,KBNSOMRKWNRUEU-AEEMYVKYSA-N
-rxn:4:182372:224666,CO[C@H]1CC[C@]2(CC1)Cc1ccc(-c3ccc(F)c(CN4CCN(C)CC4)c3)cc1C2=O,YUUMGXPTVJAROK-JIBACQESSA-N
-rxn:4:182980:223500,CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(-c3cccc4c3CCOC4)ccc2F)CC1,FKNCGZZFAUTVPG-UHFFFAOYSA-N
-rxn:4:183270:222545,Cc1cc2c(cc1-c1ccc(C(C)(C)NC(=O)OC(C)(C)C)cc1)C(C)(C)CCC2(C)C,YCWIZRDEEGOUOP-UHFFFAOYSA-N
-rxn:4:183272:228107,CCC(C)c1ncncc1-c1ccc2c(c1)OCCOCCOCCOCCOCCO2,JMKBDRXZDGKGAT-UHFFFAOYSA-N
-rxn:4:183273:223279,c1cc2c(cc1-c1cnc(C3CCCN3)nc1)OCCOCCOCCOCCOCCOCCO2,RXHWTNUDQYWMJO-UHFFFAOYSA-N
-rxn:4:183274:227639,Cc1nn(-c2cccs2)cc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCOCCO2,UOEDIDTWAKRZQS-UHFFFAOYSA-N
-rxn:4:183274:228216,Clc1c(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCOCCO3)cncc1C1CC1,UGNKQMOGWXDAKW-UHFFFAOYSA-N
-rxn:4:183274:229048,c1cc2c(cc1-c1cnn3c1CCC3)OCCOCCOCCOCCOCCOCCOCCO2,FXBAYEFCYIZAFP-UHFFFAOYSA-N
-rxn:4:183461:223840,CCOC(=O)COc1ccc(-c2ccc(OC)c(S(=O)(=O)N3CCN(C)CC3)c2)cc1C#N,KWXKAXLWOBSKPJ-UHFFFAOYSA-N
-rxn:4:183525:225278,CCOC(=O)Cc1ccc(C(F)(F)F)c(-c2cc(C(=O)OC)ccc2C(=O)OC)c1C#N,RYVVCFHVYKIOAX-UHFFFAOYSA-N
-rxn:4:183577:223893,CCOC(=O)Cc1c(-c2cccc(OCCN3CCN(CC)CC3)c2)ccc(C#N)c1OC,SAQUTUCEACYEAG-UHFFFAOYSA-N
-rxn:4:183673:224188,CCN(CC)S(=O)(=O)c1ccc(-c2ccc(C(=O)N(C(C)C)C(C)C)cc2Cl)cc1OC(F)(F)F,GURDCONWSYNERR-UHFFFAOYSA-N
-rxn:4:183696:226844,O=C(COc1cc(OC(F)(F)F)ccc1-c1ccnc(C(=O)C(F)(F)F)c1)N1CCCC1,UIZCPUVSCFUALB-UHFFFAOYSA-N
-rxn:4:183717:222720,CCCCOC(=O)c1ccc(N(C)C)c(-c2ccc(N3CCNCC3)cc2C(F)(F)F)c1,NNWSFKYIHUYMKW-UHFFFAOYSA-N
-rxn:4:183724:223080,CC(C)NS(=O)(=O)c1ccc(-c2cc(OC(F)(F)F)ccc2OCCN2CCCC2)cc1,PYGDGFSYNNGRGI-UHFFFAOYSA-N
-rxn:4:183729:223179,CONC(=O)c1cc(-c2cc(OC(F)(F)F)ccc2OCC(=O)N2CCOCC2)ccc1F,AMQGTOSKCOKVPJ-UHFFFAOYSA-N
-rxn:4:183730:226844,O=C(COc1cc(OC(F)(F)F)ccc1-c1ccnc(C(=O)C(F)(F)F)c1)N1CCOCC1,VIXNBMXFJUQABX-UHFFFAOYSA-N
-rxn:4:183751:222972,CCCOC(=O)CN1C(=O)C(=Cc2cccc(-c3ccccc3NC(=O)C(C)(C)C)c2)SC1=S,AOBCYMYGEXBICR-UHFFFAOYSA-N
-rxn:4:183751:223179,CCCOC(=O)CN1C(=O)C(=Cc2cccc(-c3ccc(F)c(C(=O)NOC)c3)c2)SC1=S,MXVICNSAUKGMAT-UHFFFAOYSA-N
-rxn:4:183752:223179,CCOC(=O)CCN1C(=O)C(=Cc2cccc(-c3ccc(F)c(C(=O)NOC)c3)c2)SC1=S,CFJUXQZFJMCWEH-UHFFFAOYSA-N
-rxn:4:183763:223078,CCNS(=O)(=O)c1ccc(-c2cc(F)ccc2N(OC(=O)OC(C)(C)C)C2CC2)c(C)c1,XGOIYCOUDJHKRV-UHFFFAOYSA-N
-rxn:4:183769:225361,O=C(COc1ccc(OC(F)(F)F)cc1-c1cn(C2CCCC2)nc1C(F)(F)F)N1CCCCC1,JIFXSHWJYAPHTO-UHFFFAOYSA-N
-rxn:4:183772:223279,O=C(COc1cc(OC(F)(F)F)ccc1-c1cnc(C2CCCN2)nc1)N1CCCC(F)(F)C1,PRHZGRWLCNFNFB-UHFFFAOYSA-N
-rxn:4:183778:224128,CCCN(C(=O)OC(C)(C)C)c1ccc(-c2ccc(C(=O)N(C)C3CCCCC3)cc2)cc1,ZWMIBVBEZKKMMT-UHFFFAOYSA-N
-rxn:4:183794:224963,CCN(CC)C(C)(C(=O)OC)c1ccc(F)c(-c2cccc(COC3CCOCC3)c2)c1,FOZMWEQUWRMKEQ-UHFFFAOYSA-N
-rxn:4:183800:226844,CN(Cc1cc(-c2ccnc(C(=O)C(F)(F)F)c2)cc(C(F)(F)F)c1)C(=O)OC(C)(C)C,HDWNFMBYYWCVRZ-UHFFFAOYSA-N
-rxn:4:183808:227004,CC(C)COc1ccccc1-c1ccc(OC(F)(F)F)cc1OCCN1CCC(F)(F)CC1,BWVMAYDONFPGIE-UHFFFAOYSA-N
-rxn:4:183829:224395,CC(C)(C)OC(=O)N(Cc1cc(-c2cc(N3CCOCC3)cc(C(F)(F)F)c2)ccc1F)C1CC1,FHFKFRZJGUXGBY-UHFFFAOYSA-N
-rxn:4:183836:226844,CCN(C(=O)COc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1)C1CCS(=O)(=O)C1,OMDGBTHOFOPJIU-UHFFFAOYSA-N
-rxn:4:183837:223179,CONC(=O)c1cc(-c2ccc(OCC(=O)N3CCC(C(=O)OC)CC3)cc2)ccc1F,NGQGVSPHGQKTPQ-UHFFFAOYSA-N
-rxn:4:183837:226844,COC(=O)C1CCN(C(=O)COc2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2)CC1,LNIGDJKIQIMYOP-UHFFFAOYSA-N
-rxn:4:183874:224827,COC(=O)c1ccc(OC(F)(F)F)cc1-c1cc(F)ccc1CN(C(=O)OC(C)(C)C)C1COC1,ZMXQZYVRGJZBON-UHFFFAOYSA-N
-rxn:4:183877:226021,CC(C)(C)OC(=O)N1CC(COc2cccc(Cl)c2-c2cc(Cl)ccc2OCC(F)(F)F)C1,LBYSOUUPIOTWDG-UHFFFAOYSA-N
-rxn:4:183883:223179,CONC(=O)c1cc(-c2ccc(OCCC3CCN(CC(F)(F)F)CC3)cc2)ccc1F,KUMGMNSMIDAXTB-UHFFFAOYSA-N
-rxn:4:183893:223179,CONC(=O)c1cc(-c2cccc(F)c2OCCCN2CCCC(C(F)(F)F)C2)ccc1F,JYGNTWRNWNMIAP-UHFFFAOYSA-N
-rxn:4:183893:226844,O=C(c1cc(-c2cccc(F)c2OCCCN2CCCC(C(F)(F)F)C2)ccn1)C(F)(F)F,GAIMYFXOXJHEAU-UHFFFAOYSA-N
-rxn:4:183911:226356,COc1cc(-c2ccc(OC(F)(F)F)cc2OCCN2CCCCC2C)c(Cl)cc1C1CC1,AWLGABPWGATTLZ-UHFFFAOYSA-N
-rxn:4:183917:224374,COc1ccc(COc2c(-c3cc(S(=O)(=O)N4CCCC4)ccc3OC)cccc2S(=O)(=O)N(C)C)cc1,DDWCTJFETIZXFG-UHFFFAOYSA-N
-rxn:4:183923:222887,O=C(c1cccc(-c2ccc(OCC(=O)N(c3ccccc3)C3C=CS(=O)(=O)C3)cc2)c1)N1CCNCC1,RNWQMROMPKWUQA-UHFFFAOYSA-N
-rxn:4:183931:225553,Cc1cc(CN(C(=O)OC(C)(C)C)C2CC2)cc(-c2ccc(C(=O)N(C)C(C)C)cc2)c1,PRRUKRWAAOWHRM-UHFFFAOYSA-N
-rxn:4:183936:226844,CC(C)(C)OC(=O)N(Cc1cc(Cl)cc(-c2ccnc(C(=O)C(F)(F)F)c2)c1)C1CCC1,MOKHNJGSPSMQCC-UHFFFAOYSA-N
-rxn:4:183941:223179,CCCCN(C1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(-c2ccc(F)c(C(=O)NOC)c2)cc1,WRDOFCHEILSKEM-UHFFFAOYSA-N
-rxn:4:183941:225665,CCCCN(C1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(-c2ccc(Cl)cc2N2CCCCC2)cc1,ILQAMDQRICYMIS-UHFFFAOYSA-N
-rxn:4:183943:226844,CC(C)(C)OC(=O)N1CC(CS(=O)(=O)c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2)C1,KDVOQYGIPCGSDL-UHFFFAOYSA-N
-rxn:4:183943:226866,CC(C)(C)OC(=O)N1CC(CS(=O)(=O)c2ccc(-c3cc(Cl)cc(OC(F)(F)F)c3)cc2)C1,YHGXZCWRODHPIS-UHFFFAOYSA-N
-rxn:4:183944:222911,COC(=O)c1cc(NC(C)=O)cc(-c2cccc(S(=O)(=O)CC3CN(C(=O)OC(C)(C)C)C3)c2)c1,PWELQAKHOZBRNO-UHFFFAOYSA-N
-rxn:4:183960:226558,CCCOc1c(F)ccc(-c2ccc(OCC3CN(C(=O)OC(C)(C)C)C3)cc2C)c1F,FPCDPDCUSHBAFX-UHFFFAOYSA-N
-rxn:4:183961:226844,CC(C)(C)OC(=O)N1CCC[C@H]1COc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1,DZUJHYHHQKOLQD-KRWDZBQOSA-N
-rxn:4:183989:223279,CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)Cc1c(F)cc(F)cc1-c1cnc(C2CCCN2)nc1,MUAYWFSBBCZOPG-LBAQZLPGSA-N
-rxn:4:183996:226844,CC(C)(C)OC(=O)N(Cc1cc(-c2ccnc(C(=O)C(F)(F)F)c2)ccc1Cl)C1CCCC1,LGZFMUURQAPILV-UHFFFAOYSA-N
-rxn:4:183998:223279,CC(C)(C)OC(=O)N(Cc1ccc(-c2cnc(C3CCCN3)nc2)cc1F)C1CCCC1,NQLUHJGOYFSJEW-UHFFFAOYSA-N
-rxn:4:184015:225219,CC1CCCCN1c1cc(F)c(-c2cccc(COC3CCN(C(=O)OC(C)(C)C)CC3)c2)cn1,CHDDPZTWILLCAD-UHFFFAOYSA-N
-rxn:4:184016:226844,CC(C)(C)OC(=O)N1CCC(OCc2ccccc2-c2ccnc(C(=O)C(F)(F)F)c2)CC1,RZJCNOOAVKBGIG-UHFFFAOYSA-N
-rxn:4:184019:223279,Cc1cc(OCC2CN(C(=O)OC(C)(C)C)C2)cc(C)c1-c1cnc(C2CCCN2)nc1,HXCALOIKCBVEGT-UHFFFAOYSA-N
-rxn:4:184021:223184,CC(C)(C)OC(=O)N(Cc1cccc(Cl)c1-c1cnc(N2CCNCC2)nc1)C1CCOCC1,XGFAHZLBRDAIFO-UHFFFAOYSA-N
-rxn:4:184021:223279,CC(C)(C)OC(=O)N(Cc1cccc(Cl)c1-c1cnc(C2CCCN2)nc1)C1CCOCC1,XGPAJIDEWJJDDM-UHFFFAOYSA-N
-rxn:4:184044:225570,COC(=O)c1ccc(C2CC2)c(-c2cccc(CN(C(=O)c3ccc(OC)cc3)C3CCS(=O)(=O)C3)c2)c1,YBTXYDPIORMXNE-UHFFFAOYSA-N
-rxn:4:184054:223279,CC(C)CS(=O)(=O)C1CCN(C(=O)Cc2ccc(-c3cnc(C4CCCN4)nc3)cc2)CC1,DVQHAQDBZQRNDR-UHFFFAOYSA-N
-rxn:4:184055:223537,COc1cc(-c2cc3cc(OC(F)(F)F)ccc3n2C(=O)OC(C)(C)C)ccc1OC1CCN(C(=O)OC(C)(C)C)CC1,FZMYNUAJHIUNIV-UHFFFAOYSA-N
-rxn:4:184060:223179,CONC(=O)c1cc(-c2ccc(C(=O)COC(=O)C3CC(=O)N(c4cc(C)ccc4C)C3)cc2)ccc1F,ICGZJJBSNYNSBZ-UHFFFAOYSA-N
-rxn:4:184060:226844,Cc1ccc(C)c(N2CC(C(=O)OCC(=O)c3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3)CC2=O)c1,UUDVAXXBOURACB-UHFFFAOYSA-N
-rxn:4:184062:226487,COC(=O)COc1cccc(-c2ccc(CN(C(=O)OC(C)(C)C)C3CCCC3)cc2C)c1,RQMWFKYJFUBUOF-UHFFFAOYSA-N
-rxn:4:184071:223279,CC(C)(C)OC(=O)N1CCC(CS(=O)(=O)c2cccc(-c3cnc(C4CCCN4)nc3)c2)CC1,APBJMPXLMMLOHA-UHFFFAOYSA-N
-rxn:4:184073:223256,COC(=O)Nc1ccc(-c2cccc(S(=O)(=O)CC3CCCN(C(=O)OC(C)(C)C)C3)c2)cc1,BJIPBMHOXBDOEH-UHFFFAOYSA-N
-rxn:4:184077:222468,Cc1cc(OC2CCN(C(=O)CCc3ccccc3-c3ccc4cc(NC(=O)OC(C)(C)C)ccc4c3)CC2)cc(=O)o1,FGODLKNEEJTDIX-UHFFFAOYSA-N
-rxn:4:184096:223181,CCNS(=O)(=O)c1cccc(-c2ccc(CN(C(=O)OC(C)(C)C)C3CCC(C)(C)CC3)cc2)c1,ZPHNLGNLXTUHDO-UHFFFAOYSA-N
-rxn:4:184097:223279,CC(C)(C)c1ccc(CN(C(=O)c2ccc(-c3cnc(C4CCCN4)nc3)cc2)C2CCS(=O)(=O)C2)cc1,TWRDHZJEAUGKOX-UHFFFAOYSA-N
-rxn:4:184099:222967,CC(C)CNC(=O)c1cccc(-c2ccc(C(C)N(C(=O)OC(C)(C)C)C3CCC(C)(C)CC3)cc2)c1,HDTAWRCSQRRCKF-UHFFFAOYSA-N
-rxn:4:184099:223279,CC(c1ccc(-c2cnc(C3CCCN3)nc2)cc1)N(C(=O)OC(C)(C)C)C1CCC(C)(C)CC1,FZUZHLHCMWKUGJ-UHFFFAOYSA-N
-rxn:4:184099:224467,CC(c1ccc(-c2cc(-c3cccs3)cc(C(C)(C)C)c2)cc1)N(C(=O)OC(C)(C)C)C1CCC(C)(C)CC1,SDLLXOGFRAZLEY-UHFFFAOYSA-N
-rxn:4:184099:226959,CC(c1ccc(-c2ccc3c(c2)CC(C)(C)O3)cc1)N(C(=O)OC(C)(C)C)C1CCC(C)(C)CC1,AQXFIPWUWGVWGY-UHFFFAOYSA-N
-rxn:4:184099:228150,COC(=O)c1ccc(-c2ccc(C(C)N(C(=O)OC(C)(C)C)C3CCC(C)(C)CC3)cc2)cc1,OQUAEQYMSQGDJR-UHFFFAOYSA-N
-rxn:4:184099:228503,CC(c1ccc(-c2ccc3c(c2)CCC3)cc1)N(C(=O)OC(C)(C)C)C1CCC(C)(C)CC1,UPBLHZCWEBDHCI-UHFFFAOYSA-N
-rxn:4:184099:228620,CSc1ccc(-c2ccc(C(C)N(C(=O)OC(C)(C)C)C3CCC(C)(C)CC3)cc2)cc1C,RXTZJCVDDPJTHJ-UHFFFAOYSA-N
-rxn:4:184099:228642,Cc1cc(Cl)c(-c2ccc(C(C)N(C(=O)OC(C)(C)C)C3CCC(C)(C)CC3)cc2)cc1C,YMSDKTIJHGUPCF-UHFFFAOYSA-N
-rxn:4:184100:224854,Cc1cc(CN(C(=O)OC(C)(C)C)C2CCC(C)(C)CC2)cc(-c2c(C)cc(-c3ccccc3)cc2C)c1,IBTRJUQXXYEHJC-UHFFFAOYSA-N
-rxn:4:184100:226974,Cc1cc(CN(C(=O)OC(C)(C)C)C2CCC(C)(C)CC2)cc(-c2ccc3c(c2)COC3(C)C)c1,DQCXRXRSHFDZAD-UHFFFAOYSA-N
-rxn:4:184100:228621,CSc1cc(C)ccc1-c1cc(C)cc(CN(C(=O)OC(C)(C)C)C2CCC(C)(C)CC2)c1,AOIVVCBJBOLRSY-UHFFFAOYSA-N
-rxn:4:184140:224397,COC(=O)c1c(C)oc2cc(-c3ccc(S(=O)(=O)N4CCC(=O)CC4)cc3)c(OCc3ccc([N+](=O)[O-])cc3)cc12,WCHMFNCWWXCBLC-UHFFFAOYSA-N
-rxn:4:184159:225914,CCOc1cc(-c2cccc(C=C3Oc4cc(OC(=O)N(CC)CC)ccc4C3=O)c2)cc(C(F)(F)F)c1,OTLWBBPWQJQEIH-UHFFFAOYSA-N
-rxn:4:184183:222970,COc1ccc(-c2ccccc2C(=O)NCC(C)C)cc1CCC(=O)N1C2CCC1CC(SC)C2,NSUOKLJSIMGVNO-UHFFFAOYSA-N
-rxn:4:184216:223279,CC(C)(C)OC(=O)N1CCC(COc2cc(-c3cnc(C4CCCN4)nc3)c3ccccc3c2)CC1,PCCHXHXBWDJTGV-UHFFFAOYSA-N
-rxn:4:184222:223279,CC(C)(C)OC(=O)N(Cc1ccc(-c2cnc(C3CCCN3)nc2)c2ccccc12)C1CCCCC1,VDSCGJHSFUMPFE-UHFFFAOYSA-N
-rxn:4:184227:226844,O=C(CN1C(=O)C2C3C=CC(C3)C2C1=O)OCC(=O)c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1,CXXYFHBNQBPVNK-UHFFFAOYSA-N
-rxn:4:184232:223179,CONC(=O)c1cc(-c2ccc(C(=O)COC(=O)c3ccc(N4C(=O)C5C6C=CC(C6)C5C4=O)cc3)cc2)ccc1F,ARKQDHITAYWYEL-UHFFFAOYSA-N
-rxn:4:184240:224618,CC(C)OCCCN1C(=O)c2oc3ccc(-c4ccnc(CO[Si](C)(C)C(C)(C)C)c4)cc3c(=O)c2C1c1ccccc1F,QCDMBUPQEHPTML-UHFFFAOYSA-N
-rxn:4:184271:223499,CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(-c3ccc(C#N)cc3OCC(F)(F)C(F)(F)F)ccc2Cl)CC1,VLGVPATXHUQHNF-UHFFFAOYSA-N
-rxn:4:184309:222730,CCCc1cc(-c2cccc(OC(C(F)(F)F)C(F)(F)F)c2[N+](=O)[O-])cc(C2CCNCC2)n1,LVEXCCVJOCYOID-UHFFFAOYSA-N
-rxn:4:184312:224180,CN1CCN(CCOc2ccccc2-c2cccc([N+](=O)[O-])c2OC(C(F)(F)F)C(F)(F)F)CC1,HJYGMWLSNATILH-UHFFFAOYSA-N
-rxn:4:184408:223918,COC(=O)Cc1c(-c2cc(C(=O)N(C)C3CCCCC3)ccc2F)ccc(C(F)F)c1C#N,DWBKHFMKXCMHOQ-UHFFFAOYSA-N
-rxn:4:184450:224584,COC(=O)Cc1ccc(C(F)(F)F)c(-c2cccc(C(=O)N3CCC(C)CC3)c2)c1C#N,BMHAUJYYTLMNDM-UHFFFAOYSA-N
-rxn:4:184475:224789,CCCOc1cc(OC(F)(F)F)cc(-c2cc(C#N)cc(C(F)(F)F)c2C(=O)OCC)c1,WNJZKKGIONXTBR-UHFFFAOYSA-N
-rxn:4:184732:224763,O=C(c1ccc(-c2cc(Cl)ccc2C(=O)N2CCOCC2)cc1OCC(F)F)N1CCC1,LAAWTLMGQNYSTD-UHFFFAOYSA-N
-rxn:4:184745:225233,CC1CCCN(c2cc(-c3ccc(C(=O)N4CCC4(F)F)c(OCC(F)F)c3)cnc2Cl)C1,QFAQIBPUXCAPID-UHFFFAOYSA-N
-rxn:4:184763:222545,COC(=O)c1ccc(-c2ccc(C(C)(C)NC(=O)OC(C)(C)C)cc2)n1C(=O)OC(C)(C)C,DQKAIOSKLUMVFO-UHFFFAOYSA-N
-rxn:4:184799:224412,O=S(=O)(c1ccccc1-c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1)N1CC(OCC(F)(F)F)C1,QYOSUPOUBHLWOE-UHFFFAOYSA-N
-rxn:4:184917:222631,COC(=O)c1cc(CN2CC(OC)C2)cc(-c2cc(C3CCNCC3)nc(C(C)(C)C)c2)c1,VEXTUHGEGGCHLW-UHFFFAOYSA-N
-rxn:4:184930:223179,CONC(=O)c1cc(-c2cc(C(F)(F)F)ccc2OCC(=O)N2CCOCC2)ccc1F,VRYLNJUDFPTWJZ-UHFFFAOYSA-N
-rxn:4:184935:224485,CCN(C(=O)OC(C)(C)C)c1ccc(-c2ccn([Si](C(C)C)(C(C)C)C(C)C)c2)cc1,RTTATLRFTSKAEB-UHFFFAOYSA-N
-rxn:4:184965:223097,CNC(=O)c1cc(-c2ccc(C(F)(F)F)c(N(C)C(=O)OC(C)(C)C)c2)cc([N+](=O)[O-])c1,OROYNSOVNCPUCA-UHFFFAOYSA-N
-rxn:4:185002:223179,CONC(=O)c1cc(-c2cccc(OCC(=O)N3CCCC(C(F)(F)F)C3)c2)ccc1F,UUNSWFLJVNZUDK-UHFFFAOYSA-N
-rxn:4:185002:226844,O=C(COc1cccc(-c2ccnc(C(=O)C(F)(F)F)c2)c1)N1CCCC(C(F)(F)F)C1,GNXNFYVZUNQDSM-UHFFFAOYSA-N
-rxn:4:185003:226844,O=C(COc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1)N1CCC(C(F)(F)F)CC1,YHBRYSYPYHOEFS-UHFFFAOYSA-N
-rxn:4:185004:224773,Cc1cc(-c2cc(C(F)(F)F)ccc2OCC(=O)N2CCCCC2)ccc1S(=O)(=O)N1CCCC1,NXWAFNNNEOXNSV-UHFFFAOYSA-N
-rxn:4:185024:223604,COc1ccc(OCC(=O)N2CCCCC2)c(-c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)c1,HXDPNFVZJHFKEO-UHFFFAOYSA-N
-rxn:4:185053:224359,CCN(CC)C(=O)c1cc(-c2ccccc2OCC2CCN(CC(F)(F)F)CC2)cc([N+](=O)[O-])c1,UCKKWUGLBVLJCQ-UHFFFAOYSA-N
-rxn:4:185053:225226,CC1CCN(c2cc(-c3ccccc3OCC3CCN(CC(F)(F)F)CC3)c(F)cn2)CC1,ZMKRKWRAJVFEPY-UHFFFAOYSA-N
-rxn:4:185058:226844,CC(C)(C)OC(=O)N1CC(Oc2cc(F)c(F)cc2-c2ccnc(C(=O)C(F)(F)F)c2)C1,AZXNLUOJLUKAII-UHFFFAOYSA-N
-rxn:4:185088:224719,COc1cc(-c2cn(C(=O)OC(C)(C)C)nc2C(C)C)ccc1C(=O)N(C(C)C)C(C)C,PFPZOJGLSQZTDH-UHFFFAOYSA-N
-rxn:4:185089:224719,COc1cc(C(=O)N(C(C)C)C(C)C)ccc1-c1cn(C(=O)OC(C)(C)C)nc1C(C)C,MTJONPLNOCIDLA-UHFFFAOYSA-N
-rxn:4:185111:226844,COC(=O)C1CCN(C(=O)Cc2ccc(F)cc2-c2ccnc(C(=O)C(F)(F)F)c2)CC1,GKCQUHYPIGJSFB-UHFFFAOYSA-N
-rxn:4:185113:223179,CONC(=O)c1cc(-c2ccc(S(=O)(=O)CC(=O)N3CCCC(C(F)(F)F)C3)cc2)ccc1F,YEHYJIWFWUBMNG-UHFFFAOYSA-N
-rxn:4:185113:226844,O=C(CS(=O)(=O)c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1)N1CCCC(C(F)(F)F)C1,SKOMMDOZEADIIN-UHFFFAOYSA-N
-rxn:4:185114:223279,O=C(CS(=O)(=O)c1ccc(-c2cnc(C3CCCN3)nc2)cc1)N1CCC(C(F)(F)F)CC1,ZSFDLWQUXQCCNR-UHFFFAOYSA-N
-rxn:4:185116:226844,O=C(CS(=O)(=O)c1ccccc1-c1ccnc(C(=O)C(F)(F)F)c1)N1CCC(C(F)(F)F)CC1,MVBIPHCYZACINP-UHFFFAOYSA-N
-rxn:4:185117:226844,O=C(CS(=O)(=O)c1cccc(-c2ccnc(C(=O)C(F)(F)F)c2)c1)N1CCCC(C(F)(F)F)C1,QSEOYAOVMCNECC-UHFFFAOYSA-N
-rxn:4:185118:226844,O=C(CS(=O)(=O)c1cccc(-c2ccnc(C(=O)C(F)(F)F)c2)c1)N1CCC(C(F)(F)F)CC1,GIIUEMGLOASQLG-UHFFFAOYSA-N
-rxn:4:185139:224677,COC(=O)C1CCN(CCc2ccc(F)c(-c3ccc(Cl)c(C(=O)N4CCCCC4)c3)c2)CC1,GYBGTVSHNKFKGB-UHFFFAOYSA-N
-rxn:4:185144:223179,CCOC(=O)C1CCN(S(=O)(=O)c2ccc(-c3ccc(F)c(C(=O)NOC)c3)cc2)CC1,PEPPLZRXCNFIFV-UHFFFAOYSA-N
-rxn:4:185144:226844,CCOC(=O)C1CCN(S(=O)(=O)c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2)CC1,WGCKNUAKTCVXPQ-UHFFFAOYSA-N
-rxn:4:185147:222892,COc1cc(N2CCNCC2)ccc1-c1ccccc1S(=O)(=O)N1CC(S(=O)(=O)CC(C)C)C1,IERSONFMPLMGRF-UHFFFAOYSA-N
-rxn:4:185147:226844,CC(C)CS(=O)(=O)C1CN(S(=O)(=O)c2ccccc2-c2ccnc(C(=O)C(F)(F)F)c2)C1,SIOLTHUVGFIHDY-UHFFFAOYSA-N
-rxn:4:185148:223179,CONC(=O)c1cc(-c2ccc(S(=O)(=O)C3CN(C(=O)OC(C)(C)C)C3)cc2)ccc1F,WADASNFUGFZMJC-UHFFFAOYSA-N
-rxn:4:185148:226844,CC(C)(C)OC(=O)N1CC(S(=O)(=O)c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2)C1,KHOJXEVVPQVTSD-UHFFFAOYSA-N
-rxn:4:185155:226844,COC(=O)c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1CN1CCC(C(F)(F)F)CC1,UBSXKFHVWZGPLV-UHFFFAOYSA-N
-rxn:4:185162:226844,CC(C)(C)OC(=O)N1CC(c2cc(C(F)(F)F)ccc2-c2ccnc(C(=O)C(F)(F)F)c2)C1,KNFDQAMRWAEMCP-UHFFFAOYSA-N
-rxn:4:185163:226844,CC(C)(C)OC(=O)N1CC(c2cc(-c3ccnc(C(=O)C(F)(F)F)c3)cc(C(F)(F)F)c2)C1,ZMUVJFLWVQMYFQ-UHFFFAOYSA-N
-rxn:4:185192:222685,Cc1cc(F)c(NC(=O)OC(C)(C)C)cc1-c1cccc(F)c1OCCCN1CCCC(C)C1,VHZRXCILICITQT-UHFFFAOYSA-N
-rxn:4:185204:224842,COc1ccc(-c2ccc3c(c2)C(C)(C)CCC3(C)C)cc1C1CN(C(=O)OC(C)(C)C)C1,MMNSRCGZJOYPRY-UHFFFAOYSA-N
-rxn:4:185208:226844,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2F)C1,MXJCUERCAYCZBF-UHFFFAOYSA-N
-rxn:4:185236:224633,COc1ccc(CN2CCOCC2)cc1-c1ccc(C2=NC(=Cc3cc(Cl)c(OC(C)=O)c(OC)c3)C(=O)O2)cc1,RQJLFVROHBRQNP-UHFFFAOYSA-N
-rxn:4:185237:224834,CCN(CC)Cc1cc(-c2cn(S(=O)(=O)N(C)C)nc2C(F)(F)F)cc(C(C)(C)C)c1,VMUAQNDULSHPJC-UHFFFAOYSA-N
-rxn:4:185263:223027,CCCNC(=O)c1cc(F)cc(-c2c(F)cc(N3CCC(C(OC)OC)CC3)cc2OC)c1,JSHOTDXOCOFCLY-UHFFFAOYSA-N
-rxn:4:185267:226844,CCOC(=O)C1CCN(S(=O)(=O)c2cc(C)cc(-c3ccnc(C(=O)C(F)(F)F)c3)c2)CC1,SZURXGKMWKFUQY-UHFFFAOYSA-N
-rxn:4:185271:222472,COc1ccc(CNCc2ccc(F)c(-c3ccc(C4(C(F)(F)F)CCN(C(=O)OC(C)(C)C)C4)c(Cl)c3)c2)cc1,AOZYGDLTCYNGJC-UHFFFAOYSA-N
-rxn:4:185307:225765,CCCOc1cc(S(=O)(=O)N2CCCC(C)C2)ccc1-c1ccc(F)c(OCC(C)C)c1F,FJKXYDLXDKHQTR-UHFFFAOYSA-N
-rxn:4:185312:226844,COc1cc(-c2ccnc(C(=O)C(F)(F)F)c2)ccc1C1CCCN1C(=O)OC(C)(C)C,FJZIEXQJDWUOSP-UHFFFAOYSA-N
-rxn:4:185319:222501,Cc1ccc(S(=O)(=O)NCc2ccc(-c3ccc(C4CN(C(=O)OC(C)(C)C)C4)c(C4CC4)c3)cc2)cc1,JKHSOTMKFIQWEM-UHFFFAOYSA-N
-rxn:4:185321:225299,Cc1cc(-c2cc(OC3CCN(C(=O)OC(C)(C)C)CC3)ccc2Cl)cc(C)c1S(=O)(=O)N(C)C,IKTLQKNIRFCKRO-UHFFFAOYSA-N
-rxn:4:185323:223279,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3cnc(C4CCCN4)nc3)cc2F)CC1,NWRZWRPRPFVORX-UHFFFAOYSA-N
-rxn:4:185350:222896,CC(C)CS(=O)(=O)C1CCN(C(=O)c2cccc(-c3ccc(CNC(=O)OC(C)(C)C)s3)c2)CC1,XYJRVKPBXQHZJG-UHFFFAOYSA-N
-rxn:4:185351:223177,CC(C)CS(=O)(=O)C1CCN(C(=O)c2ccccc2-c2ccc(CNS(C)(=O)=O)cc2)CC1,PBPMDLZHGGNLGJ-UHFFFAOYSA-N
-rxn:4:185352:222759,Cc1cc(NC(=O)OC(C)(C)C)cc(-c2ccc(C(=O)C3CCN(C(=O)OC(C)(C)C)CC3)cc2)c1,TYDSJCCXODSIHK-UHFFFAOYSA-N
-rxn:4:185352:223279,CC(C)(C)OC(=O)N1CCC(C(=O)c2ccc(-c3cnc(C4CCCN4)nc3)cc2)CC1,ZQHJFGSDTWRZIX-UHFFFAOYSA-N
-rxn:4:185352:226844,CC(C)(C)OC(=O)N1CCC(C(=O)c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2)CC1,PRUIARDCBXNLNU-UHFFFAOYSA-N
-rxn:4:185353:222788,CC(C)(C)OC(=O)Nc1ccc(-c2ccc(CC(=O)N3CCC(S(=O)(=O)C(C)(C)C)C3)cc2)c(F)c1,JZJRNZUCNGGVHB-UHFFFAOYSA-N
-rxn:4:185353:226844,CC(C)(C)S(=O)(=O)C1CCN(C(=O)Cc2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2)C1,ZDHXGORSZVFDMJ-UHFFFAOYSA-N
-rxn:4:185355:224420,Cc1cc2c(cc1-c1cccc(C(=O)C3CCN(C(=O)OC(C)(C)C)CC3)c1)C(C)(C)CCC2(C)C,MWUHUJAEZMXTLC-UHFFFAOYSA-N
-rxn:4:185356:224967,COC(=O)c1cc(-c2ccc(F)c(C(=O)C3CCN(C(=O)OC(C)(C)C)CC3)c2)cc(C(C)(C)C)c1,XVJAPVAEANCVNJ-UHFFFAOYSA-N
-rxn:4:185357:226844,CC(C)(C)OC(=O)N1CCC(C(=O)c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2F)CC1,FITNWXNMAOZDOO-UHFFFAOYSA-N
-rxn:4:185370:226844,CC(CN1C(C)CCCC1C)OC(=O)c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1,DRWXBWTZVQEESI-UHFFFAOYSA-N
-rxn:4:185374:223279,O=C(Cc1ccc(-c2cnc(C3CCCN3)nc2)cc1)N1CC(S(=O)(=O)C2CCCCC2)C1,IIJGPBQWOWFSCZ-UHFFFAOYSA-N
-rxn:4:185385:223279,CC(C)(C)OC(=O)N1CCC(c2ccc(C(F)(F)F)c(-c3cnc(C4CCCN4)nc3)c2)CC1,GWIYCADXSBFFGS-UHFFFAOYSA-N
-rxn:4:185393:223816,C[Si](C)(C)CCOCn1c(-c2ccc(C(=O)N3CCC(S(=O)(=O)Cc4ccccc4)CC3)cc2)cc2c(Cl)ccnc21,DXGRZRBQKLCVSC-UHFFFAOYSA-N
-rxn:4:185408:227047,CC(C)(C)OC(=O)N1CCC(c2cc(-c3cccc(SC4CCC4)c3)ccc2C2CC2)C1,PFGKTFFQOHSFKS-UHFFFAOYSA-N
-rxn:4:185420:223661,CC(C)(C)OC(=O)N1CCOC(c2cc(C3CC3)ccc2-c2cc(C(=O)OCc3ccccc3)cc([N+](=O)[O-])c2)C1,HRSIBDATASXOCQ-UHFFFAOYSA-N
-rxn:4:185423:223279,CC(C)(C)OC(=O)N1CCOC(c2cc(-c3cnc(C4CCCN4)nc3)cc(C3CC3)c2)C1,YVFAMLFMEXAUCU-UHFFFAOYSA-N
-rxn:4:185426:225227,COc1cc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)ccc1-c1cnc(N2CCC(C)CC2)c(Cl)c1,APFVODCYPOKKBS-UHFFFAOYSA-N
-rxn:4:185434:222745,COc1cc(-c2cccc(CNC(=O)OC(C)(C)C)c2)cc(C2CCN(C(=O)OC(C)(C)C)CC2C)c1,XQVVIPPIOYVCPT-UHFFFAOYSA-N
-rxn:4:185435:224569,CC(C)(C)c1ccc(C(=O)N(c2ccc(-c3cc(F)cc(OCC4CCCCC4)c3)cc2)C2C=CS(=O)(=O)C2)cc1,GMFZIJLIAJCBGE-UHFFFAOYSA-N
-rxn:4:185437:227333,CC(C)Oc1ccc(Cl)c(-c2ccc(F)cc2CN2CCC(O[Si](C)(C)C(C)(C)C)CC2)c1,GORKXBFKEVWAKU-UHFFFAOYSA-N
-rxn:4:185442:224522,CC1CN(C(=O)OC(C)(C)C)CCC1c1cc(-c2cc(OCc3ccccc3)ccc2F)cc(C2COC2)c1,GWOAIOCXXWTHFO-UHFFFAOYSA-N
-rxn:4:185496:224082,CCC(C(=O)OC(C)(C)C)c1cccc(-c2ccc3c(c2)c(C(=O)OC)cn3C(=O)OC(C)(C)C)c1,PWFUHNNFOAEPJF-UHFFFAOYSA-N
-rxn:4:185516:223926,Cc1cccc2c1N(CCCOc1ccc(-c3ccc(CN4CCC5(CC4)OCCO5)cc3)cc1)C(=O)C2=O,CTKJSOHBJUTMRJ-UHFFFAOYSA-N
-rxn:4:185521:225352,CC(=O)Oc1ccc(-c2ccc3c(c2)CN(CCCOC(C)C)C(=O)CO3)cc1C(F)(F)F,FDRIPXRMKAUBGR-UHFFFAOYSA-N
-rxn:4:185648:226176,O=C(C1CCCCC1)N(c1ccc2oc3c(c2c1)CCCC3)S(=O)(=O)c1ccc(-c2ccncc2C2CCCCC2)cc1,AAFRHWFFQXGRTA-UHFFFAOYSA-N
-rxn:4:186286:223480,CCS(=O)(=O)c1cc(-c2cc(C)c(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c(C)c2)cnc1C(=O)OC,BVHLQEACFCQQOM-UHFFFAOYSA-N
-rxn:4:186460:223697,Cc1cc(OCC2CC2)c(-c2ccc(S(=O)(=O)N3CCCCC3)cc2C(F)(F)F)cc1[N+](=O)[O-],PCFZWQKVUSOVEO-UHFFFAOYSA-N
-rxn:4:186479:224300,COc1cc(C(=O)N2CCSCC2)ccc1-c1cc(CN2CCC2)cc(OC(F)(F)F)c1,AVTLQHQDFSRDRB-UHFFFAOYSA-N
-rxn:4:186499:223504,COC(=O)c1ccc(Oc2ccc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)c([N+](=O)[O-])c3)cc2)nc1,ZTFDQZJWWYXXMZ-UHFFFAOYSA-N
-rxn:4:186629:222715,CCCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1-c1cc(Cl)c(F)c(NC(=O)OC(C)(C)C)c1,MPTAWJQNZQDRKK-UHFFFAOYSA-N
-rxn:4:186716:223698,COC(=O)C1CN(Cc2cc(F)cc(-c3ccc(OC(F)(F)F)c(S(=O)(=O)N4CCCC4)c3)c2)C1,SKDCKSQHKRABOW-UHFFFAOYSA-N
-rxn:4:186721:223597,COC(=O)c1cc(-c2ccc(OCCN3CCC4(CC3)OCCO4)c(Cl)c2)c(-n2cccc2)cc1OC,LNDSDFCHRLFUDE-UHFFFAOYSA-N
-rxn:4:186730:224401,Cc1cc(-c2ccc(C3COCCO3)c(C(F)(F)F)c2)ccc1OCC(=O)N1CC(F)(F)C1,QHHRXYLUNJXLQB-UHFFFAOYSA-N
-rxn:4:186910:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2ccc(C(F)(F)F)cc2/C=N/S(=O)C(C)(C)C)cc1,PQVLOZXMVSZYTA-LGJNPRDNSA-N
-rxn:4:186938:222725,CCNS(=O)(=O)c1ccc(-c2ccc(OCC(=O)N3CCCC3)c(C)c2)c(C(F)(F)F)c1,AYTWAGDNXOHAHG-UHFFFAOYSA-N
-rxn:4:187014:225346,COc1ccc(-c2ccc(OC(F)(F)F)c(C(=O)N3CCCCC3)c2)cc1S(=O)(=O)N(C)C,UXCDPEOQFKMKMB-UHFFFAOYSA-N
-rxn:4:187023:226844,O=C(c1cc(OC(F)F)cc(-c2ccnc(C(=O)C(F)(F)F)c2)c1)N1CCC(F)(F)CC1,OYRBRPFRYJGYOY-UHFFFAOYSA-N
-rxn:4:187027:223036,CC(C)(C)C(=O)Nc1ccc(-c2cc(OC(F)(F)F)cc(C(=O)N3CCC(F)(F)CC3)c2)cn1,RRGZRPVSADIHNU-UHFFFAOYSA-N
-rxn:4:187055:224176,O=[N+]([O-])c1cc(OCC2CCCCC2)cc(-c2ccc(OCCSC3CCOCC3)cc2)c1,AKJJCRGRIPYPJM-UHFFFAOYSA-N
-rxn:4:187072:222743,CCOc1cc(C(=O)N2CCOCC2)ccc1-c1ccc(C(C)N2CCC(O)CC2)cc1,RSUOEZNTMUZUOL-UHFFFAOYSA-N
-rxn:4:187092:226844,O=C(c1cc(-c2cc(CN3CCC(F)(F)CC3)ccc2OC(F)(F)F)ccn1)C(F)(F)F,OMUZHLLZSKKONB-UHFFFAOYSA-N
-rxn:4:187093:222776,O=S(=O)(c1ccc(-c2ccc(CN3CCC(O)CC3)cc2F)cc1OC(F)(F)F)N1CCCCC1,NHTONRXEKAMRSN-UHFFFAOYSA-N
-rxn:4:187111:224405,COc1ccc(CCN2CCOCC2)cc1-c1cc(F)c(F)cc1S(=O)(=O)N1CCCC1,HMOVVKKFDLMYDV-UHFFFAOYSA-N
-rxn:4:187143:223179,CONC(=O)c1cc(-c2cc(CC(=O)N3CCC(C(F)(F)F)CC3)ccc2Cl)ccc1F,AGBHGHJPARSTLG-UHFFFAOYSA-N
-rxn:4:187143:226844,O=C(Cc1ccc(Cl)c(-c2ccnc(C(=O)C(F)(F)F)c2)c1)N1CCC(C(F)(F)F)CC1,NRARSBUXYPFKRH-UHFFFAOYSA-N
-rxn:4:187144:226844,O=C(Cc1ccc(Cl)c(-c2ccnc(C(=O)C(F)(F)F)c2)c1)N1CCCC(C(F)(F)F)C1,YOPZFZNPSSRFDN-UHFFFAOYSA-N
-rxn:4:187148:224828,CCOc1cc(OC(F)(F)F)cc(-c2ccc(CC(=O)N3CCCC(C(F)(F)F)C3)cc2F)c1F,WPCGNVVIIZLLJR-UHFFFAOYSA-N
-rxn:4:187148:226844,O=C(Cc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)c(F)c1)N1CCCC(C(F)(F)F)C1,VFRBJZRJNRARFB-UHFFFAOYSA-N
-rxn:4:187149:222645,O=C(Cc1ccc(-c2cccc(OCCN3CCC(O)CC3)c2)c(F)c1)N1CCC(C(F)(F)F)CC1,MJCIDPPWFJTGPY-UHFFFAOYSA-N
-rxn:4:187149:223179,CONC(=O)c1cc(-c2ccc(CC(=O)N3CCC(C(F)(F)F)CC3)cc2F)ccc1F,ZBNAHCINIUYYMU-UHFFFAOYSA-N
-rxn:4:187153:223179,CONC(=O)c1cc(-c2ccc(S(=O)(=O)CC(=O)N3CCCC(F)(F)C3)cc2)ccc1F,XAQOKULXEWDOGJ-UHFFFAOYSA-N
-rxn:4:187154:223179,CONC(=O)c1cc(-c2ccc(S(=O)(=O)CC(=O)N3CCC(F)(F)CC3)cc2)ccc1F,MTFSCVJKKGCXQV-UHFFFAOYSA-N
-rxn:4:187155:223179,CONC(=O)c1cc(-c2ccccc2S(=O)(=O)CC(=O)N2CCCC(F)(F)C2)ccc1F,JLVCCVXVIOPPHA-UHFFFAOYSA-N
-rxn:4:187155:226844,O=C(CS(=O)(=O)c1ccccc1-c1ccnc(C(=O)C(F)(F)F)c1)N1CCCC(F)(F)C1,NSOJQHIJNIZINH-UHFFFAOYSA-N
-rxn:4:187157:226844,O=C(CS(=O)(=O)c1cccc(-c2ccnc(C(=O)C(F)(F)F)c2)c1)N1CCCC(F)(F)C1,FFWUIMVWCYLXBH-UHFFFAOYSA-N
-rxn:4:187185:224365,CCCCOc1cc(-c2ccc(CN3CCC(C)(C(=O)OC)C3)cc2)cc(C(F)(F)F)c1F,LSFRWPWCPNJPAM-UHFFFAOYSA-N
-rxn:4:187203:222945,CC(C)NS(=O)(=O)c1ccc(-c2cc(Cl)ccc2C2CN(C(=O)OC(C)(C)C)C2)cc1F,NJSXCUHWYOUMPR-UHFFFAOYSA-N
-rxn:4:187209:224125,COC(=O)C1CCN(Cc2ccc(-c3ccc(CN4CCN(C5CC5)CC4)cc3)cc2F)CC1,KVRSNNJQFSUDTD-UHFFFAOYSA-N
-rxn:4:187211:222918,CC(C)(C)NS(=O)(=O)c1cccc(-c2ccc(C3(F)CN(C(=O)OC(C)(C)C)C3)cc2)c1,FJGRRQUPVOTBAR-UHFFFAOYSA-N
-rxn:4:187231:222986,CCN(C1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(-c2cc(C)nc(C3CCCNC3)c2)cc1,JHGAWJHKGRLGQA-UHFFFAOYSA-N
-rxn:4:187268:223568,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(Cl)c(-c3ccc(C(=O)N4CCC(S(=O)(=O)c5ccccc5)C4)o3)cnc21,MEZQVPMHAIFMAF-UHFFFAOYSA-N
-rxn:4:187302:222603,COc1cc(-c2ccc(OCCN3CCC(C)CC3)c(F)c2)c(Cl)cc1NC(=O)OC(C)(C)C,XIWUBJJOCFPODX-UHFFFAOYSA-N
-rxn:4:187341:223608,O=C(c1cccc(CN2CC=CC2)c1)c1ccc(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCOCC3)c2)cc1F,OWKDVPJOMGYVBZ-UHFFFAOYSA-N
-rxn:4:187352:222725,CCNS(=O)(=O)c1ccc(-c2cnc([Si](C(C)C)(C(C)C)C(C)C)s2)c(C(F)(F)F)c1,UICPBIHSNJIWQM-UHFFFAOYSA-N
-rxn:4:187353:222647,Cc1cc(-c2coc([Si](C(C)C)(C(C)C)C(C)C)n2)c(C)cc1NC(=O)OC(C)(C)C,BXFMOCLWWWQZET-UHFFFAOYSA-N
-rxn:4:187369:223587,CCN(C(=O)c1ccc(Cl)c(-c2c(F)ccc(OCc3cc(OC)cc(OC)c3)c2F)c1)C1CCCCC1,KYKLXLYMCRZATP-UHFFFAOYSA-N
-rxn:4:187374:223003,CC1CCN(C(=O)CS(=O)(=O)c2cccc(-c3ccc(Cl)c(C4CCNCC4)c3)c2)CC1,WDEJGAMQJPCAMX-UHFFFAOYSA-N
-rxn:4:187374:223006,CC1CCN(C(=O)CS(=O)(=O)c2cccc(-c3ccc(F)c(C4CCNCC4)c3)c2)CC1,OVNZUNSWAPINHE-UHFFFAOYSA-N
-rxn:4:187374:223007,CC1CCN(C(=O)CS(=O)(=O)c2cccc(-c3cc(F)cc(C4CCNCC4)c3)c2)CC1,XNADPDDXLSDBBI-UHFFFAOYSA-N
-rxn:4:187374:223009,CC1CCN(C(=O)CS(=O)(=O)c2cccc(-c3cc(Cl)cc(C4CCNCC4)c3)c2)CC1,UUKXFPBZWMHFSV-UHFFFAOYSA-N
-rxn:4:187377:223003,CC1CCN(C(=O)CS(=O)(=O)c2ccc(-c3ccc(Cl)c(C4CCNCC4)c3)cc2)CC1,UUQFVOQCENUIAK-UHFFFAOYSA-N
-rxn:4:187377:223006,CC1CCN(C(=O)CS(=O)(=O)c2ccc(-c3ccc(F)c(C4CCNCC4)c3)cc2)CC1,VYBOLICIVVFWMH-UHFFFAOYSA-N
-rxn:4:187377:223009,CC1CCN(C(=O)CS(=O)(=O)c2ccc(-c3cc(Cl)cc(C4CCNCC4)c3)cc2)CC1,WYNLYMYIEGFLSI-UHFFFAOYSA-N
-rxn:4:187379:222951,CC(=O)Nc1cc(C(F)(F)F)c(-c2ccccc2S(=O)(=O)CC(=O)N2CCC(C)CC2)cn1,CJTPHZRECCINEI-UHFFFAOYSA-N
-rxn:4:187379:223003,CC1CCN(C(=O)CS(=O)(=O)c2ccccc2-c2ccc(Cl)c(C3CCNCC3)c2)CC1,MKAIVJRTOHQLBA-UHFFFAOYSA-N
-rxn:4:187379:223006,CC1CCN(C(=O)CS(=O)(=O)c2ccccc2-c2ccc(F)c(C3CCNCC3)c2)CC1,YWISXEGMJPHCCT-UHFFFAOYSA-N
-rxn:4:187388:226844,Cc1cc(CC(=O)N2CCC(C(F)(F)F)CC2)ccc1-c1ccnc(C(=O)C(F)(F)F)c1,FGJOETTUYIAIFQ-UHFFFAOYSA-N
-rxn:4:187389:223179,CONC(=O)c1cc(-c2ccc(CC(=O)N3CCCC(C(F)(F)F)C3)cc2C)ccc1F,IBEYJIMDFIWADE-UHFFFAOYSA-N
-rxn:4:187423:223650,COC(=O)c1ccc(-c2ccccc2N2CCN(C(=O)OC(C)(C)C)CC2)cc1CN1CCCCC1C,OLXYXXBPPPLNBH-UHFFFAOYSA-N
-rxn:4:187433:222800,COC(=O)c1ccc(-c2cc(C)c(S(=O)(=O)NC(C)C)c(C)c2)c(CN2CCCC(C)C2)c1,HEQZLCHNMQHWPG-UHFFFAOYSA-N
-rxn:4:187436:222897,CCCCNS(=O)(=O)c1cccc(-c2ccc(C)cc2C2CN(C(=O)OC(C)(C)C)C2)c1,GGZWHODQORKZRO-UHFFFAOYSA-N
-rxn:4:187447:223179,CONC(=O)c1cc(-c2ccccc2CCC(=O)N2CCC3(CC2)CC3(F)F)ccc1F,ZHQSVNVLEPBIKT-UHFFFAOYSA-N
-rxn:4:187447:226844,O=C(CCc1ccccc1-c1ccnc(C(=O)C(F)(F)F)c1)N1CCC2(CC1)CC2(F)F,CYMCGHYEJQEZBL-UHFFFAOYSA-N
-rxn:4:187463:223569,COc1ccc(N2C(=O)CSC2c2cccc(-c3cnc4c(ccn4[Si](C(C)C)(C(C)C)C(C)C)c3F)c2)c(OC)c1,DHARGAMCBOWJBV-UHFFFAOYSA-N
-rxn:4:187492:222925,CC(C)(C)OC(=O)N1CCOC(c2cccc(-c3ccc(C4CNC4)c(C(F)(F)F)c3)c2)C1,UKMHYWZGXDNZFH-UHFFFAOYSA-N
-rxn:4:187494:222877,CC(C)(C)NC(=O)c1ccc(-c2ccc(C3CN(C(=O)OC(C)(C)C)CCO3)cc2)cc1Cl,VUCBOVGJWPWLBX-UHFFFAOYSA-N
-rxn:4:187504:223179,CONC(=O)c1cc(-c2ccc(OCCN3CCC4(CC3)OCCO4)c(F)c2)ccc1F,UVTFAHOJGBGQOD-UHFFFAOYSA-N
-rxn:4:187517:223884,CC(C)(C)OC(=O)N1CCc2cc(-c3cccc(C(=O)c4ccccc4CN4CCOCC4)c3)ccc2C1,ZSXUJVGASBPNOI-UHFFFAOYSA-N
-rxn:4:187521:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3ccccc3Oc3ccc(C(=O)N4CCCCC4)cc3)c2)CC1,FXDMRXGRLOZJHR-UHFFFAOYSA-N
-rxn:4:187543:224592,COc1cc(-c2cc(C3(C#N)CCCCC3)ccc2F)cc(OC)c1CN1CCCC(C)C1,WFUFNGJJLHHXPD-UHFFFAOYSA-N
-rxn:4:187545:222717,CCN(C(=O)c1cccc(C)c1-c1cc(C)c(F)cc1S(=O)(=O)NC(C)(C)C)C1CCCCC1,DDAPQXUHDVFWFQ-UHFFFAOYSA-N
-rxn:4:187561:226768,CSc1ccc(-c2ccc(Cl)c(C(=O)N3CCC(S(=O)(=O)C(C)(C)C)C3)c2)cc1C(F)(F)F,WIIYKKGUQTYVLH-UHFFFAOYSA-N
-rxn:4:187569:223031,CCNC(=O)c1ccc(-c2cc(C)ccc2OCC(=O)N2C(C)CCCC2C)c(OC)c1,ZFLMAWRHKOBZBH-UHFFFAOYSA-N
-rxn:4:187598:223183,CNS(=O)(=O)c1ccc(-c2ccccc2C(=O)N2CC(S(=O)(=O)C3CCCCC3)C2)c(C)c1,FQDIFBCMSQHZNL-UHFFFAOYSA-N
-rxn:4:187648:223939,CC(C)(C)OC(=O)N1CCCC(C)(c2ccc(-c3ccc4c(c3)N(C(=O)OC(C)(C)C)CCO4)cc2)C1=O,VAOWJZPQRJEVCP-UHFFFAOYSA-N
-rxn:4:187659:224566,COC(=O)C1(c2ccc(-c3ccc(C4(C)CCN(C(=O)OC(C)(C)C)CC4)cc3)cc2)CCCC1,NQBHBXGEGUPPMY-UHFFFAOYSA-N
-rxn:4:187663:224847,Cc1cc(-c2cc(C(C)(C)C)ccc2C(C)(C)C)ccc1C1CCCN(C(=O)OC(C)(C)C)C1,YLGYDVOGHCZPTO-UHFFFAOYSA-N
-rxn:4:187666:224060,COc1c(C(C)(C)C)cc(-c2ccc(C)c(C3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1C(C)(C)C,BZOZMORXUIDNIA-UHFFFAOYSA-N
-rxn:4:187689:223184,O=C(c1ccc(CN2CCC3(CC2)OCCO3)cc1)c1ccc(-c2cnc(N3CCNCC3)nc2)cc1F,KDBYRJCUSDBVIB-UHFFFAOYSA-N
-rxn:4:187916:224552,COc1cc(OC)c(C23CCN(C)CC2O3)c(OC)c1-c1cc(F)cc(COC2CCCCC2)c1,VDKSYBOQKNMFNT-UHFFFAOYSA-N
-rxn:4:187970:223636,CC(C)[Si](C(C)C)(C(C)C)n1cc(-c2ccc(C3CCCN(C(=O)OC(C)(C)C)C3)cc2)c2ccccc21,DEVDNVNNTCNTLD-UHFFFAOYSA-N
-rxn:4:187971:223904,CC(C)[Si](C(C)C)(C(C)C)n1ccc2ccc(-c3cccc(C4CN(C(=O)OC(C)(C)C)C4)c3)cc21,ZXYDXJDLLZIERL-UHFFFAOYSA-N
-rxn:4:188005:223279,COc1ccc(CN2C(=O)C3C(c4ccc(-c5cnc(C6CCCN6)nc5)cc4)OC4(C(=O)c5ccccc5C4=O)C3C2=O)cc1,AONRFFIILNYJKM-UHFFFAOYSA-N
-rxn:4:188006:224360,COC(=O)c1ccc(-c2cc(C#N)ccc2OCC23CC4CC(CC(C4)C2)C3)n1C(=O)OC(C)(C)C,YHHSZVHVAJJEKS-UHFFFAOYSA-N
-rxn:4:188439:223593,CSc1c(C#N)ccc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c(Cl)c2)c1C(F)F,WAMTWLBIKJLSGJ-UHFFFAOYSA-N
-rxn:4:189432:223536,COC1CN(C(=O)c2ccccc2-c2cc(F)c(F)c(N3CCN(C(=O)OC(C)(C)C)CC3)c2)C1,ZTNGBOSCRFBNSO-UHFFFAOYSA-N
-rxn:4:189599:224009,COc1ccc(-c2cccc(C(=O)ON3C(=O)CCC3=O)c2C)cc1S(=O)(=O)N1CCOCC1,LDTBZMOUBSVZKS-UHFFFAOYSA-N
-rxn:4:189633:223712,COc1ccc(-c2ccc(OCC3CCCCO3)cn2)cc1C12CC3CC(CC(C3)C1)C2,SCEKINFLSOMRKB-UHFFFAOYSA-N
-rxn:4:189781:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3ccc(CCN4CCCC4)cc3F)cc21,YXMBYMKEZUPRGG-UHFFFAOYSA-N
-rxn:4:189889:226844,O=C(c1cc(-c2ccc(S(=O)(=O)N3CCC(F)(F)C3)cc2C(F)(F)F)ccn1)C(F)(F)F,FXCTWNVONJRAPH-UHFFFAOYSA-N
-rxn:4:189927:223508,COc1ccc(S(=O)(=O)N2CCCC2)cc1-c1ccc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)nc1,MEGPPDJMWKRFEF-UHFFFAOYSA-N
-rxn:4:189927:224018,COc1ccc(S(=O)(=O)N2CCCC2)cc1-c1cc(F)c(F)cc1S(=O)(=O)N1CCOCC1,WDSHMZSTROCNED-UHFFFAOYSA-N
-rxn:4:189938:224337,COC1CCN(S(=O)(=O)c2cccc(-c3cnc(C(F)(F)F)c(C4CCCCC4)c3)c2)C1,NBHQSMBNIXNIJX-UHFFFAOYSA-N
-rxn:4:190033:222815,C#Cc1ccc(-c2ccc(S(=O)(=O)NC(=O)C(C)C)cc2)cc1N1CCCC(C(F)(F)F)C1,PVQNDCICMOWXNO-UHFFFAOYSA-N
-rxn:4:190055:223776,CC(C)(C)OC(=O)N1CCOc2ccc(-c3ccc(F)cc3CC(=O)N3CCC(F)(F)CC3)cc2C1,PWCFGKCPXTXQDS-UHFFFAOYSA-N
-rxn:4:190072:224376,CN1CCN(S(=O)(=O)c2cccc(-c3ccc(Cl)c(C(=O)N4CCCCC4C(F)(F)F)c3)c2)CC1,NNIUVHQXQRCGIN-UHFFFAOYSA-N
-rxn:4:190087:223872,CCN(C(=O)c1cccc(-c2ccc(N3C(=O)C(=CC=Cc4ccco4)SC3=S)cc2)c1)C1CCCCC1,ZCHOIXHXFOCKNA-UHFFFAOYSA-N
-rxn:4:190109:224017,COC(=O)c1ccc(N2CCCCC2)c(-c2ccc(N3CCCS3(=O)=O)cc2C(F)(F)F)c1,HMIBGVOTKFNSAP-UHFFFAOYSA-N
-rxn:4:190111:224082,CCC(C(=O)OC(C)(C)C)c1cccc(-c2ccc(C3CCCN3S(=O)(=O)CC)cc2)c1,LNCGOMQFCMTDRN-UHFFFAOYSA-N
-rxn:4:190116:224351,CCc1cc(-c2ccc(C3CCCCO3)c(C(F)(F)F)c2)ccc1S(=O)(=O)N1CCCC1,RXBZKYKBJGNGCC-UHFFFAOYSA-N
-rxn:4:190175:226844,O=C(c1cc(-c2cc(S(=O)(=O)N3CCCCC3C(F)(F)F)c(F)cc2F)ccn1)C(F)(F)F,SGCGRJYYJUCDHQ-UHFFFAOYSA-N
-rxn:4:190178:222946,O=S(=O)(c1ccc(-c2cnc(N3CCCCC3O)nc2Cl)cc1C(F)(F)F)N1CCCC(F)(F)C1,OKLIRNJJYRYVJM-UHFFFAOYSA-N
-rxn:4:190178:226844,O=C(c1cc(-c2ccc(S(=O)(=O)N3CCCC(F)(F)C3)c(C(F)(F)F)c2)ccn1)C(F)(F)F,NMUGGMSACFWJJZ-UHFFFAOYSA-N
-rxn:4:190180:222554,O=C(NCc1ccccc1)c1ccc(-c2cc(C(F)(F)F)cc(S(=O)(=O)N3CCC(F)(F)CC3)c2)cc1Cl,ZUFXDTKYRNEIOQ-UHFFFAOYSA-N
-rxn:4:190182:223540,COc1ccc(CN2CCCCC2)cc1-c1cc(S(=O)(=O)N2CCC3(CC2)OCCO3)ccc1OC,RNARNKCCHCZYJP-UHFFFAOYSA-N
-rxn:4:190215:222826,COc1cc(C)c(-c2cccc(S(=O)(=O)N3CCNCC3)c2)cc1S(=O)(=O)N1CCCC1,ZZLLPSLJSXOWBA-UHFFFAOYSA-N
-rxn:4:190220:224359,CCN(CC)C(=O)c1cc(-c2ccc(CN3CCCC(F)(F)C3)c(OC)c2)cc([N+](=O)[O-])c1,ILMNECDBLLOQSI-UHFFFAOYSA-N
-rxn:4:190221:222674,COc1cc(-c2cccc(C(=O)NC3CCCCC3)c2F)ccc1CN1CCC(F)(F)CC1,HRUGHHLNRLCAJB-UHFFFAOYSA-N
-rxn:4:190277:223579,Cc1cc(CC(=O)N2CCCC(F)(F)C2)ccc1-c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2C)cc1,WYQXSIHSABPAOO-UHFFFAOYSA-N
-rxn:4:190322:222826,CCS(=O)(=O)N1CCC(c2ccc(-c3cccc(S(=O)(=O)N4CCNCC4)c3)cc2)CC1,FXJOPBNIHLODQR-UHFFFAOYSA-N
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-rxn:4:191641:223670,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2cnc(F)c(C(F)(F)C(F)(F)F)c2)CC1,FEPBPLQGRFGQRI-UHFFFAOYSA-N
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-rxn:4:192657:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(C4(C(F)(F)F)OCCO4)nc3)c(F)c2)CC1,MTNLDFIRKJUSCG-WGSAOQKQSA-N
-rxn:4:192761:222514,COc1ccc(-c2ccc(S(=O)(=O)N3CCC3)cc2F)cc1S(=O)(=O)NC1CCCCC1,YUSONSRQFQEJQX-UHFFFAOYSA-N
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-rxn:4:192861:223592,CC(=O)c1ccc(N(C)C)c(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2Cl)c1,PQIWLJAVNSHVAE-UHFFFAOYSA-N
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-rxn:4:193131:224773,Cc1cc(-c2ccc(S(=O)(=O)N=C3C=CC(=O)C=C3)cc2)ccc1S(=O)(=O)N1CCCC1,RPEWXJUWPDKOOQ-UHFFFAOYSA-N
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-rxn:4:193514:224372,O=C(c1cc(-c2cc(N3CCCCC3=O)ccc2C(F)(F)F)cc([N+](=O)[O-])c1)N1CCCC1,WTTVSCUVRBPGMN-UHFFFAOYSA-N
-rxn:4:193518:222718,CC1=CC(=O)C=CC1=NS(=O)(=O)c1ccc(-c2cc(S(=O)(=O)N3CCNCC3)ccc2C)cc1,BHCSQGKHVNJIOM-UHFFFAOYSA-N
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-rxn:4:193518:222942,CC1=CC(=O)C=CC1=NS(=O)(=O)c1ccc(-c2ccc(S(=O)(=O)NC3CC3)c(F)c2)cc1,SPTXJYNTKXPDBJ-UHFFFAOYSA-N
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-rxn:4:193518:224376,CC1=CC(=O)C=CC1=NS(=O)(=O)c1ccc(-c2cccc(S(=O)(=O)N3CCN(C)CC3)c2)cc1,GRIRQTFGKHHSPD-UHFFFAOYSA-N
-rxn:4:193518:224770,CC1=CC(=O)C=CC1=NS(=O)(=O)c1ccc(-c2cc(C)cc(S(=O)(=O)N3CCCC3)c2)cc1,QPQFSYUFJQHEQE-UHFFFAOYSA-N
-rxn:4:193518:224773,CC1=CC(=O)C=CC1=NS(=O)(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCCC3)c(C)c2)cc1,RSNBRJJHFAEONQ-UHFFFAOYSA-N
-rxn:4:193563:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cc(C)cc(S(=O)(=O)N2CCCC2)c1,MNCZYVVZHPAFRD-UHFFFAOYSA-N
-rxn:4:193577:222514,COc1ccc(-c2cccc(CN3CCS(=O)(=O)CC3)c2)cc1S(=O)(=O)NC1CCCCC1,JHVOFRIXHJQMAR-UHFFFAOYSA-N
-rxn:4:193577:222604,COc1ccc(-c2cccc(CN3CCS(=O)(=O)CC3)c2)cc1S(=O)(=O)NC1CCCC1,FDMPHYYISOSXKD-UHFFFAOYSA-N
-rxn:4:193589:222524,Cc1ccc(CN2CCC(F)(F)C2)c(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC(O)CC2)c1,XMCCKVBPZJITTM-UHFFFAOYSA-N
-rxn:4:193621:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3cnc(C(F)(F)F)c(C4CCCCC4)c3)cc2)CC1,MVROBBWKSSHMQG-UHFFFAOYSA-N
-rxn:4:193642:223474,FC1(F)CCCN(c2ccc(C(F)(F)F)cc2-c2ccc(OCc3ccccc3)c(C34CC5CC(CC(C5)C3)C4)c2)C1,IHOVWYJQWNXZEL-UHFFFAOYSA-N
-rxn:4:193642:225044,C[Si](C)(C)c1cc(-c2cc(C(F)(F)F)ccc2N2CCCC(F)(F)C2)cc([Si](C)(C)C)c1,TYZFZTDXISPBNG-UHFFFAOYSA-N
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-rxn:4:193835:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccccc1S(=O)(=O)N1CCCCC1C,ARNTUDXIRYRPLW-UHFFFAOYSA-N
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-rxn:4:193869:222826,Cc1cc(-c2cccc(S(=O)(=O)N3CCNCC3)c2)c(S(=O)(=O)N2CCCCC2)cc1Cl,AGPRVIBQCNIHKX-UHFFFAOYSA-N
-rxn:4:193870:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cc(Cl)c(S(=O)(=O)N2CCCCC2)cc1C,CXJHCUWWTUKIIH-UHFFFAOYSA-N
-rxn:4:193870:222826,Cc1cc(S(=O)(=O)N2CCCCC2)c(Cl)cc1-c1cccc(S(=O)(=O)N2CCNCC2)c1,ULWFPVHHHUVJFU-UHFFFAOYSA-N
-rxn:4:193874:223569,CC1CCN(S(=O)(=O)c2ccc(-c3cnc4c(ccn4[Si](C(C)C)(C(C)C)C(C)C)c3F)cc2F)CC1,PWZSFEHDHKZZGQ-UHFFFAOYSA-N
-rxn:4:193881:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cc(F)c(F)cc1S(=O)(=O)N1CCC(C)CC1,NFTBSJXESJOTRL-UHFFFAOYSA-N
-rxn:4:193881:222826,CC1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2cccc(S(=O)(=O)N3CCNCC3)c2)CC1,ZEWSNMIDFFZPQN-UHFFFAOYSA-N
-rxn:4:193962:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cc(C)c(S(=O)(=O)N2CCCCC2)cc1C,INFUWCYQMBVSTB-UHFFFAOYSA-N
-rxn:4:193972:222718,Cc1cc(-c2cc(S(=O)(=O)N3CCNCC3)ccc2C)c(S(=O)(=O)N2CCCCCC2)cc1Cl,ZHIHRXQRQFQBBQ-UHFFFAOYSA-N
-rxn:4:193972:222826,Cc1cc(-c2cccc(S(=O)(=O)N3CCNCC3)c2)c(S(=O)(=O)N2CCCCCC2)cc1Cl,LLSWUPAOGRUWGH-UHFFFAOYSA-N
-rxn:4:193981:224258,Cc1c(C(=O)N2CCCCC2)cc(-c2ccc(C(=O)N3CCCCC3C)cc2Cl)c(C)c1C,WJWHBFHYZRVDBE-UHFFFAOYSA-N
-rxn:4:193990:222822,Cc1cc(F)c(-c2ccc(S(=O)(=O)N3CCC(=C4CCC4)CC3)cc2)cc1S(=O)(=O)NC1CC1,XWPVKXRGWFUUSZ-UHFFFAOYSA-N
-rxn:4:193997:222468,Cc1cc(S(=O)(=O)N2CCCC(C)C2)c(C)cc1-c1ccc2cc(NC(=O)OC(C)(C)C)ccc2c1,AESWDSZTITYSQK-UHFFFAOYSA-N
-rxn:4:194191:223497,COC(=O)c1cc(-c2ccc(C(C)N3CCC(O[Si](C)(C)C(C)(C)C)CC3)cc2)c2ccccc2n1,MTFFWTFNWYUVCS-UHFFFAOYSA-N
-rxn:4:194369:222623,CCC(C)c1cc(-c2ccc3c(c2)CCN(C(=O)C(F)(F)F)C3)cc(C2CCNCC2)n1,JQPCLVJWJFFAII-UHFFFAOYSA-N
-rxn:4:194394:223784,CCN1CCN(CCOc2ccc(-c3ccc4c(c3)CN(S(=O)(=O)CC)C4)cc2F)CC1,GMKWOWJCEINZMG-UHFFFAOYSA-N
-rxn:4:194441:223507,CC(C)CN1Cc2c(cccc2-c2ccccc2S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1=O,IOLDKCRUUGTYFO-UHFFFAOYSA-N
-rxn:4:194555:222623,CCC(C)c1cc(-c2ccc3c(c2)CN(CC2CC2)C(=O)CO3)cc(C2CCNCC2)n1,LZHMXXJFFLDBLD-UHFFFAOYSA-N
-rxn:4:194572:225177,O=S1(=O)CC2CC1CN2S(=O)(=O)c1ccccc1-c1ccc(CN2CCSCC2)c(F)c1,KMPMDDSVXCTLBK-UHFFFAOYSA-N
-rxn:4:194697:223898,CC(C)N(C(=O)OC(C)(C)C)c1ccc(-c2ccc3c(c2)C(=NS(=O)C(C)(C)C)CCC3)cc1,MTSLYBZUCRMZRA-UHFFFAOYSA-N
-rxn:4:194734:222673,CC1(C)OCC(c2ccc3cc(-c4cc(C(=O)NC5CCCCC5)ccc4Cl)ccc3c2)([N+](=O)[O-])CO1,XNTDAJDBNHAFRL-UHFFFAOYSA-N
-rxn:4:194750:222857,COc1cc(-c2ccccc2S(=O)(=O)N2C3CCC2CC(=C2CC2)C3)cc(C2CCNCC2)c1,WCQUGQVWEIQRQA-UHFFFAOYSA-N
-rxn:4:194750:225640,CC1CCCCN1c1cc(-c2ccccc2S(=O)(=O)N2C3CCC2CC(=C2CC2)C3)ccn1,ZDFROALKYODFMY-UHFFFAOYSA-N
-rxn:4:194751:225200,CSCN1C(=O)CC2(CCOCC2)Oc2cc(-c3ccc(F)c(OC4CCCC4)c3F)ccc21,OYNCYGLUMZRGDF-UHFFFAOYSA-N
-rxn:4:194758:224742,COc1cc(OC)c(C2OCCO2)cc1-c1ccc2c(c1)CCCC2N1CCC(C(F)(F)F)CC1,UMAOYMUYCGIZFC-UHFFFAOYSA-N
-rxn:4:194768:225197,COC1CCN(C2CCCc3cc(-c4cc(F)c(OC5CCCC5)c(Cl)c4)ccc32)CC1,WNRIJKBIQJLVJA-UHFFFAOYSA-N
-rxn:4:194781:224203,COc1cc(C(=O)N2CCCCC2)ccc1-c1ccc(C(=O)N2CCC3(CC2)CC(=O)c2ccccc2O3)cc1,SRFURJHYFQVQJI-UHFFFAOYSA-N
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-rxn:4:200717:222537,CCOC(=O)N1CCN(S(=O)(=O)c2cc(C)c(-c3cc(C4CCCC4)nc(C4CCCNC4)c3)cc2C)CC1,DTQTZNIBCRIMTJ-UHFFFAOYSA-N
-rxn:4:200720:223534,CC(C)(C)OC(=O)N1CCC(Oc2cc(-c3ccc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)cc3)c(F)cn2)CC1,DEVNYNWYIVDXJL-UHFFFAOYSA-N
-rxn:4:200727:226844,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2F)CC1,LXPKPFCWTQETOM-UHFFFAOYSA-N
-rxn:4:200735:225984,CC(C)(C)OC(=O)c1nc(N2CCC(C(F)(F)F)CC2)ccc1-c1cnc(Cl)c(N2CCOCC2)c1,QPXYRVBTYQHGHD-UHFFFAOYSA-N
-rxn:4:200756:223179,CONC(=O)c1cc(-c2ccc(CC(=O)N3CC(N4CCC(OC)CC4)C3)cc2)ccc1F,PHKGPDCVKWGIIN-UHFFFAOYSA-N
-rxn:4:200782:223279,C[C@H]1CN(C(=O)c2ccc(-c3cnc(C4CCCN4)nc3)cc2)CCN1C(=O)OC(C)(C)C,LJGPHHDIKAFKBN-PBVYKCSPSA-N
-rxn:4:200788:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2cc(F)cc(-c3cnc(OC(C)(C)C)nc3OC(C)(C)C)c2)cc1,XEHMKDIAQWETBY-UHFFFAOYSA-N
-rxn:4:200802:225381,CCOc1ccc(-c2ccc(C(F)(F)F)c(C(F)(F)F)c2)cc1S(=O)(=O)N1CCN(c2ccccc2F)CC1,SFQBEMQSKVGMFD-UHFFFAOYSA-N
-rxn:4:200807:223279,COc1cc(S(=O)(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)ccc1-c1cnc(C2CCCN2)nc1,KNMYAAWOTDEBQC-UHFFFAOYSA-N
-rxn:4:200811:223279,CN1CCN(C(=O)COc2ccc(C(C)(C)C)cc2-c2cnc(C3CCCN3)nc2)CC1,GGBVYHYJMLZOQO-UHFFFAOYSA-N
-rxn:4:200819:223080,CC(C)NS(=O)(=O)c1ccc(-c2cc(F)cc(CN3CCN(C(=O)OC(C)(C)C)C(C)C3)c2)cc1,KADWOCCBVZIBMO-UHFFFAOYSA-N
-rxn:4:200821:223179,CONC(=O)c1cc(-c2ccc(S(=O)(=O)N3CCCN(C(=O)OC(C)(C)C)CC3)cc2)ccc1F,ISVDOGQHHQUUEO-UHFFFAOYSA-N
-rxn:4:200822:224881,CC(C)(C)OC(=O)N1CCCN(S(=O)(=O)c2cccc(-c3cccc(CN4CCCCCC4)c3)c2)CC1,PQXWBUQFZBKCKS-UHFFFAOYSA-N
-rxn:4:200825:226251,CCCCOc1cc(-c2cc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)ccc2C)ccc1Cl,ZPVVQPXDOSNWRL-UHFFFAOYSA-N
-rxn:4:200874:225549,CCCCC(=O)c1cc(-c2cnccc2OC2CCN(C(=O)C3(c4ccccc4)CCOCC3)C2)ccc1F,CDOUHHMKKCTROS-UHFFFAOYSA-N
-rxn:4:200880:223279,COC1CCN(C2CCN(C(=O)Cc3ccc(-c4cnc(C5CCCN5)nc4)cc3)CC2)CC1,LILNTSQVGJSFJO-UHFFFAOYSA-N
-rxn:4:200883:224592,CC(C)(C)OC(=O)N1CCC2(CC1)CN(Cc1ccccc1-c1cc(C3(C#N)CCCCC3)ccc1F)C2,JGDSTVCFZSLFLR-UHFFFAOYSA-N
-rxn:4:200895:223279,O=C(c1ccc(-c2cnc(C3CCCN3)nc2)cc1)N1CCCCC1CCN1CCCCCC1,KBQJJYMWOZNKNY-UHFFFAOYSA-N
-rxn:4:200902:223180,CONC(=O)c1ccc(-c2ccc(C(=O)N3CCC4(CC3)OCCN4S(=O)(=O)c3ccc(OC)cc3)cc2)cc1F,GXZZBTLPSJOANQ-UHFFFAOYSA-N
-rxn:4:200902:226844,COc1ccc(S(=O)(=O)N2CCOC23CCN(C(=O)c2ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc2)CC3)cc1,INCGNWUELPPIQE-UHFFFAOYSA-N
-rxn:4:200982:223999,CCSc1ccc(C(=O)N2CCc3cc(-c4cc(S(=O)(=O)N5CCC(C)CC5)ccc4F)ccc32)cc1[N+](=O)[O-],QYZZZSGEQIHWFB-UHFFFAOYSA-N
-rxn:4:201030:223179,CCOC(=O)N1CCN(C(=O)c2cc3cc(-c4ccc(F)c(C(=O)NOC)c4)ccc3oc2=O)CC1,GNLNWRWHCWXQSM-UHFFFAOYSA-N
-rxn:4:201034:223839,COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1ccc2c(c1)C(=O)C(=O)N2CC(=O)N(c1ccccc1)C(C)C,FEYGEHXXSDEKDX-UHFFFAOYSA-N
-rxn:4:201057:222810,CCCCCN1C(=O)C(=C2C(=O)N(CC)c3ccc(-c4cc(NC(=O)OC(C)(C)C)ncc4Cl)cc32)SC1=S,WAKUIRCRTQKPSC-UHFFFAOYSA-N
-rxn:4:201097:223279,CC(C)(C)OC(=O)N1CCC(C(=O)N2Cc3ccc(-c4cnc(C5CCCN5)nc4)cc3C2)C1,JOWIUHHBKTWAKM-UHFFFAOYSA-N
-rxn:4:201108:226844,O=C(CCc1ccccc1-c1ccnc(C(=O)C(F)(F)F)c1)N1CC(N2CC3CCCC3C2)C1,DSJXPWPHXIIVMJ-UHFFFAOYSA-N
-rxn:4:201120:223179,CONC(=O)c1cc(-c2ccc(CC3SC4=NC(C)=C(C(=O)OC)C(c5ccccc5)N4C3=O)cc2)ccc1F,HQVUCZOARXIMCT-UHFFFAOYSA-N
-rxn:4:201132:225525,CCOC(=O)CCc1ccccc1-c1ccc2c(CC(=O)N(C)C3CCN(C)CC3)c(OC)ccc2c1,IOCVPGPYGKNYEA-UHFFFAOYSA-N
-rxn:4:201147:226552,CCCCN1C(=O)C(=C2SC(=S)N(Cc3ccc(C)cc3)C2=O)c2cc(-c3cc(F)c(OCCC)c(Cl)c3)ccc21,RFWGUQPOQKKQLK-UHFFFAOYSA-N
-rxn:4:201171:223179,CONC(=O)c1cc(-c2ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc2)ccc1F,OZSJGBKSHCABPS-UHFFFAOYSA-N
-rxn:4:201189:224290,COc1ccc2c(=O)c3c(oc2c1)C(=O)N(CCN1CCOCC1)C3c1ccc(-c2ccc(Cl)cc2OCCN2CCOCC2)cc1,FHDFHWICWSWQIO-UHFFFAOYSA-N
-rxn:4:201208:222466,O=[N+]([O-])c1cncc(-c2cc(C3CCCCC3)nc(C3CCNCC3)c2)c1OS(=O)(=O)C(F)(F)F,VHWLGEUXRNDTAC-UHFFFAOYSA-N
-rxn:4:201231:223683,COC(=O)c1cc(-c2cnc(OC3CCN(C(=O)OC(C)(C)C)C3)nc2)nn1CC(F)F,PUIGNTAWQAZLRM-UHFFFAOYSA-N
-rxn:4:201292:223559,CCOC(=O)C(=O)c1cc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)nn1C,UKCDEFPLIGCWJY-UHFFFAOYSA-N
-rxn:4:201415:223559,CCN(C)C(=O)Cc1cncc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)c1,RNWYGTGHEHFUEO-UHFFFAOYSA-N
-rxn:4:201675:225372,N#CCC(=O)C1CCCN(c2cc(-c3cc(F)c(OCC(F)(F)F)c(F)c3)ccc2F)C1=O,KGAZRMPXNXHIGW-UHFFFAOYSA-N
-rxn:4:201689:222633,COC(=O)CC1CN(c2ccc(-c3ccc(C(=O)NCCN4CCCC4)cc3)cn2)CCO1,RDSFAGLFLMJPRH-UHFFFAOYSA-N
-rxn:4:201760:223179,CONC(=O)c1cc(-c2ccc(CC(=O)N3CC(N4C(=O)CSC4=O)C3)cc2)ccc1F,YROXUCDZPJOVTR-UHFFFAOYSA-N
-rxn:4:201760:226844,O=C(Cc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1)N1CC(N2C(=O)CSC2=O)C1,FANCCPDPEMYZFX-UHFFFAOYSA-N
-rxn:4:201783:224750,CC(C)(C)OC(=O)N1CC(c2cncc(-c3ccc(Cl)c(C(=O)N4CCOCC4)c3)c2)C1,PYCQTDYEZCOTGT-UHFFFAOYSA-N
-rxn:4:201815:222657,CN1CCN(C(=O)c2cc(-c3ccc(F)c(C(=O)NC4CCCCC4)c3)ccc2OC(F)(F)F)CC1,MCTIRWCKEABQOK-UHFFFAOYSA-N
-rxn:4:201816:225427,CCCCOc1c(C)cc(-c2cc(OC(F)(F)F)cc(C(=O)N3CCN(C)CC3)c2)cc1C,FYHPHXUXTQIBSP-UHFFFAOYSA-N
-rxn:4:201827:224377,CN1CCN(CCOc2ccc(-c3ccc(S(=O)(=O)N4CCN(C)CC4)cc3)cc2)CC1,YFPSSZHDFFFBQJ-UHFFFAOYSA-N
-rxn:4:201841:224426,O=C(C1CCC1)N1CCC(Oc2ccc(-c3cc(C4CCCCC4)cc(C4CC4)c3)cn2)C1,JSAUJGGPBSWTES-UHFFFAOYSA-N
-rxn:4:201857:226844,O=C(Cc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1)N1CC(N2C(=O)CCC2=O)C1,RBHSHRMVSVYPOW-UHFFFAOYSA-N
-rxn:4:201858:226844,O=C(c1cccc(-c2ccnc(C(=O)C(F)(F)F)c2)c1)N1CC(CN2C(=O)CCC2=O)C1,QFSUGQUXHPYKAL-UHFFFAOYSA-N
-rxn:4:201866:223951,CN1CCN(CCOc2ccc(-c3ccc(C(=O)N4CCC(Oc5ccc(Cl)cn5)CC4)o3)cc2F)CC1,QHEBTCDVUHTZEQ-UHFFFAOYSA-N
-rxn:4:201908:223179,CONC(=O)c1cc(-c2ccc(S(=O)(=O)N3CC(CN4C(=O)CCC4=O)C3)cc2)ccc1F,JEDJCJMNRYTXEI-UHFFFAOYSA-N
-rxn:4:201925:223651,Cc1nc(C2CCN(C(=O)OC(C)(C)C)C2)ccc1-c1cccc(C2CCCN2C(=O)OC(C)(C)C)n1,KROTVCNKTMOYMC-UHFFFAOYSA-N
-rxn:4:201931:223897,Cc1ccc(-c2cnc(C3CCCN(C(=O)OC(C)(C)C)C3)s2)cc1OCCCN1CCOCC1,MCZCLXGGPCFNFU-UHFFFAOYSA-N
-rxn:4:201934:223103,CC(C)(C)NS(=O)(=O)c1ccc(-c2cc(C3CCN(C(=O)OC(C)(C)C)C3)ccn2)s1,JDJCBTOUWJEENG-UHFFFAOYSA-N
-rxn:4:201938:223687,CCCN1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCN(C(=O)OC(C)(C)C)CC4)nc3)cc2)CC1,NXRIVZLSLHYHSO-UHFFFAOYSA-N
-rxn:4:201993:222631,CC(C)(C)OC(=O)N1CCOC(c2cccc(-c3cc(C4CCNCC4)nc(C(C)(C)C)c3)n2)C1,YFJHGTOIDFHTNX-UHFFFAOYSA-N
-rxn:4:202004:223060,CCOc1ccc(-c2cc(Cl)nc(C3CCNCC3)c2)cc1S(=O)(=O)N1CCN(C)CC1,GJXIRJYVJJEOML-UHFFFAOYSA-N
-rxn:4:202006:222956,CCOc1cc(-c2ccc(C)cc2C2CCCNC2)ccc1S(=O)(=O)N1CCN(C)CC1,GISOSOMSVXUSRH-UHFFFAOYSA-N
-rxn:4:202008:222987,CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1ccc(C2CCNCC2)nc1C,HVOZKWFEYANVDM-UHFFFAOYSA-N
-rxn:4:202102:224683,CC1CN(C(=O)OC(C)(C)C)CCC1c1ncc(-c2cc(F)cc(C(=O)N3CCCCC3)c2)s1,HBIIAOWUXSJTCA-UHFFFAOYSA-N
-rxn:4:202112:223658,CC(C)CN1CCN(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCOCC4)c4ccccc34)cc2)CC1,UZXKMMJRVNVYFX-UHFFFAOYSA-N
-rxn:4:202115:222912,CC(C)CNS(=O)(=O)c1ccc(-c2ccc(C3CCN(C(=O)OC(C)(C)C)CC3)nc2)cc1,UCFUGONTQSXXKA-UHFFFAOYSA-N
-rxn:4:202134:225975,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccnc(N4CCOCC4)c3Cl)c(Cl)c2)CC1,SOEHUFPPZFHIGJ-UHFFFAOYSA-N
-rxn:4:202146:223279,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(C4CCCN4)nc3)c(F)c2F)CC1,WIBNAPNUSGJSAW-UHFFFAOYSA-N
-rxn:4:202149:224825,CON(C)C(=O)c1cc(-c2cccc(C(=S)N3CCN(S(=O)(=O)c4ccccc4)CC3)c2)cc([N+](=O)[O-])c1,CGYWUFPALAHFKU-UHFFFAOYSA-N
-rxn:4:202153:228086,N#CCOc1cccc(-c2cccc(C=C3SC(=S)N(CC(=O)N4CCCCC4)C3=O)c2)c1,SOPKHPGKMOZEIZ-UHFFFAOYSA-N
-rxn:4:202166:226844,O=C(c1cc(-c2cccc(CN3CCCN(S(=O)(=O)C4CC4)CC3)c2)ccn1)C(F)(F)F,XETMOOMWMYQCHY-UHFFFAOYSA-N
-rxn:4:202198:223279,O=C(C1CN(Cc2cccc(-c3cnc(C4CCCN4)nc3)c2)CCO1)N1CCSCC1,MUHPEGGILWPLQL-UHFFFAOYSA-N
-rxn:4:202199:223279,O=C(C1CN(Cc2ccccc2-c2cnc(C3CCCN3)nc2)CCO1)N1CCSCC1,RUNRACFPBIJFKH-UHFFFAOYSA-N
-rxn:4:202204:226844,O=C(C1CC(=O)N(c2cccc(-c3ccnc(C(=O)C(F)(F)F)c3)c2)C1)N1CCC(CF)CC1,BEFKZQLDEGATMH-UHFFFAOYSA-N
-rxn:4:202215:223815,COc1ccc(-c2ccc(Cl)c(CN3CCC4(CC3)OCCO4)c2)cc1S(=O)(=O)N1CCN(c2ccc(F)cc2)CC1,FKYMRMTWFNWJER-UHFFFAOYSA-N
-rxn:4:202234:226253,CCCOc1cc(OC)cc(-c2cccc(N3CCN(C(=O)OC(C)(C)C)CC3)c2C)c1,FGWUFJRBFGCRKA-UHFFFAOYSA-N
-rxn:4:202264:226722,COC(=O)c1cc(-c2cccc(C(=O)N3CCCSCC3CN3CCCC3)c2)cnc1OC,LUOWREKOAAMPIM-UHFFFAOYSA-N
-rxn:4:202266:223279,O=C(C1CN(Cc2ccc(-c3cnc(C4CCCN4)nc3)cc2)CCO1)N1CCCCC1,ZETFWBJILHDYEK-UHFFFAOYSA-N
-rxn:4:202268:223279,O=C(C1CN(Cc2ccccc2-c2cnc(C3CCCN3)nc2)CCO1)N1CCCCC1,MXRRUNYABVIIOB-UHFFFAOYSA-N
-rxn:4:202269:223985,COc1ccc(-c2ccccc2CN2CCCC(C(=O)N3CCSCC3)C2)cc1S(=O)(=O)N1CCCCC1,FOPYPORIAATOKS-UHFFFAOYSA-N
-rxn:4:202271:223279,O=C(C1CCCN(Cc2ccccc2-c2cnc(C3CCCN3)nc2)C1)N1CCOCC1,TVLWRCUPEHLWEA-UHFFFAOYSA-N
-rxn:4:202290:223279,COC1CCN(C2CCN(S(=O)(=O)c3ccc(-c4cnc(C5CCCN5)nc4)cc3)CC2)C1,VOQZCFAKKOOIGU-UHFFFAOYSA-N
-rxn:4:202294:223903,COc1cc(S(=O)(=O)N2CCN(c3ccc(C)cc3)CC2)ccc1-c1ccccc1CCC(=O)N1CCC(=O)CC1,ADQKCIJERVRPGF-UHFFFAOYSA-N
-rxn:4:202295:223607,COc1cc(-c2cc(-c3cccc(C(F)(F)F)n3)nc(C(F)(F)F)c2)ccc1S(=O)(=O)N1CCN(c2ccc(C)cc2)CC1,DPBBGKONNNMIMW-UHFFFAOYSA-N
-rxn:4:202310:223078,CCNS(=O)(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCCSCC3CN3CCOCC3)cc2)c(C)c1,JMJCQMHPTUEYRS-UHFFFAOYSA-N
-rxn:4:202311:223279,O=C(C1CCN(Cc2ccc(-c3cnc(C4CCCN4)nc3)cc2)CC1)N1CCC(F)(F)CC1,YQAZVLVJRCYCEX-UHFFFAOYSA-N
-rxn:4:202320:223771,COc1ccc2c(c1)cc(-c1cc(F)cc(N3CCN(O[Si](C)(C)C(C)(C)C)CC3)c1)n2C(=O)OC(C)(C)C,SCBNLLLNDXZQKG-UHFFFAOYSA-N
-rxn:4:202328:227044,COC1CCN(C2CCN(S(=O)(=O)c3ccccc3-c3ccc(C(=O)C4CC4)cc3)CC2)CC1,XDOZJFDPWGOXBE-UHFFFAOYSA-N
-rxn:4:202334:222396,COc1cc(-c2ccc(C(=O)NC3CCC(O)CC3)cc2)ccc1S(=O)(=O)N1CCN(c2c(C)cccc2C)CC1,ACJZUMZPQPKJMT-UHFFFAOYSA-N
-rxn:4:202338:222893,CCOC(=O)c1n[nH]c2cc(-c3ccc(C(=O)N4CCC5(CC4)OCCN5S(=O)(=O)c4ccccc4)cc3)ccc12,HUPQIJSYYLPWJD-UHFFFAOYSA-N
-rxn:4:202351:223279,Cc1cc(S(=O)(=O)N2CCOC23CCN(C(=O)c2ccc(-c4cnc(C5CCCN5)nc4)cc2)CC3)ccc1F,FAQPTQSAKLKBQN-UHFFFAOYSA-N
-rxn:4:202351:226844,Cc1cc(S(=O)(=O)N2CCOC23CCN(C(=O)c2ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc2)CC3)ccc1F,ORQMQYLZXFLSML-UHFFFAOYSA-N
-rxn:4:202386:223823,CCOC(=O)c1nc2cccc(C(F)(F)F)n2c1-c1cnn(C2CCN(C(=O)OC(C)(C)C)CC2)c1,MCHNFEPDUMIPHV-UHFFFAOYSA-N
-rxn:4:202452:223885,C#CCn1c(=NC(=O)C(C)C)sc2cc(-c3ccc4c(c3)CN(C(=O)OC(C)(C)C)CC4)ccc21,WOLWONOQVYEORC-UHFFFAOYSA-N
-rxn:4:202606:227580,CCOC(=O)C1=C(C)N=C2SCCC(=O)N2C1c1ccccc1-c1cc(OC)c(OC)cc1Cl,BZHZZZXDHIZDOL-UHFFFAOYSA-N
-rxn:4:202656:222913,CC(C)(C)OC(=O)N1CCN(c2cccc3sc(-c4ccc(CNS(=O)(=O)C5CC5)cc4)cc23)CC1,MDVBEILDKGMYIT-UHFFFAOYSA-N
-rxn:4:202656:223079,CC(C)NS(=O)(=O)c1cccc(-c2cc3c(N4CCN(C(=O)OC(C)(C)C)CC4)cccc3s2)c1,BEUQULKKDQZOFN-UHFFFAOYSA-N
-rxn:4:202674:224188,CC(C)N(C(=O)c1ccc(-c2cnc3c(ccn3[Si](C(C)C)(C(C)C)C(C)C)c2)c(Cl)c1)C(C)C,GUMVQMPSUWWGCJ-UHFFFAOYSA-N
-rxn:4:202674:224307,CC(C)[Si](C(C)C)(C(C)C)n1ccc2cc(-c3c(F)cc(O[Si](C)(C)C(C)(C)C)cc3F)cnc21,CRHDSOLUYYPFAK-UHFFFAOYSA-N
-rxn:4:202680:222758,Cc1cc(-c2cnc3c(ccn3[Si](C(C)C)(C(C)C)C(C)C)c2Cl)ccc1NC(=O)OC(C)(C)C,VFUAMQFGGJXKKF-UHFFFAOYSA-N
-rxn:4:202682:223279,CC(C)(C)OC(=O)N1CC2CCC1CN2c1ccc(-c2cnc(C3CCCN3)nc2)cc1,XLBMDWYLPMNRND-UHFFFAOYSA-N
-rxn:4:202685:223179,CONC(=O)c1cc(-c2ccc3c(ccn3CCC(=O)N3CCC4(CC3)OCCO4)c2)ccc1F,UCIZJZOHHWPYSF-UHFFFAOYSA-N
-rxn:4:202685:226844,O=C(CCn1ccc2cc(-c3ccnc(C(=O)C(F)(F)F)c3)ccc21)N1CCC2(CC1)OCCO2,FSHRTTNALGJRMP-UHFFFAOYSA-N
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-rxn:4:202690:225590,CC1Oc2ccc(-c3ccc(CN4CCCC4)c(F)c3)cc2CN(CCc2ccc(S(N)(=O)=O)cc2)C1=O,GAZNQHYMORXVQC-UHFFFAOYSA-N
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-rxn:4:207060:223784,CCN1CCN(CCOc2ccc(-c3ccc(S(=O)(=O)N4CCCN(C)CC4)cc3)cc2F)CC1,KQQYDUCGWNVDMG-UHFFFAOYSA-N
-rxn:4:207090:224655,CC1CCN(C2CC(=O)N(c3ccc(-c4ccc(O[Si](C)(C)C(C)(C)C)cc4F)cc3)C2=O)CC1,HWJWETLLIMDMIT-UHFFFAOYSA-N
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-rxn:4:207960:224986,CC1(C)CC(=O)C2=C(C1)N=c1sc(=Cc3cccc(-c4ccc(N5CCCCC5)cc4C#N)c3)c(=O)n1C2c1ccccc1,QZZRSFAAOLWZDR-UHFFFAOYSA-N
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-rxn:4:211100:222882,CC1CCC2(CC1)Oc1ccc(-c3cc(F)ccc3C(=O)NC(C)(C)C)cc1C1CC(c3ccc(Cl)cc3)=NN12,MRZNHVZFWNTCKC-UHFFFAOYSA-N
-rxn:4:211101:223055,Cc1ccc(C2=NN3C(C2)c2cc(-c4ccc(N5CCNCC5)nc4C)ccc2OC32CCC(C)CC2)cc1,ZHEBGGABQVVCAE-UHFFFAOYSA-N
-rxn:4:211101:223972,Cc1ccc(C2=NN3C(C2)c2cc(-c4ccc(N5CCCCC5C)cc4C(F)(F)F)ccc2OC32CCC(C)CC2)cc1,YYWHGNIYDJYLTG-UHFFFAOYSA-N
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-rxn:4:212521:226844,O=C(c1cc(-c2cnc(OC3CCN(S(=O)(=O)CCC(F)(F)F)C3)nc2)ccn1)C(F)(F)F,XJOLJXMEKFTYHZ-UHFFFAOYSA-N
-rxn:4:212523:225172,O=C(c1ccc(-c2cc(CN3CCOCC3)ccc2F)o1)N1CCN=C1SCc1ccc([N+](=O)[O-])cc1,SILIKNOLICOHIL-UHFFFAOYSA-N
-rxn:4:212539:225128,CCN(Cc1c(-c2cc(C3(C(=O)OC)CC3)ccc2F)cnn1C)C(=O)OC(C)(C)C,CHNNUHGDPMRDRY-UHFFFAOYSA-N
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-rxn:4:212607:225977,CCC(CC)C(=O)N1CCC(Oc2ncc(-c3cc(Cl)cnc3N3CCOCC3)cn2)CC1,DCBSPQIREZRCTC-UHFFFAOYSA-N
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-rxn:4:212644:225008,COC1CCN(c2ccc(-c3cnc(OCC4CCCN(S(=O)(=O)Cc5ccc(F)cc5)C4)nc3)cc2)CC1,QDEFMEVDRIBKMK-UHFFFAOYSA-N
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-rxn:4:212662:222614,COc1ccc(CN2CCCC(COc3ncc(-c4ccc(S(=O)(=O)NC5CC5)cc4C(F)(F)F)cn3)C2)cc1,AKKFPKDPCPIMTK-UHFFFAOYSA-N
-rxn:4:212694:223279,COCCN1C(=O)CN(C2CCN(C(=O)c3ccccc3-c3cnc(C4CCCN4)nc3)CC2)C1=O,WODOYIRWKFYVQG-UHFFFAOYSA-N
-rxn:4:212694:226844,COCCN1C(=O)CN(C2CCN(C(=O)c3ccccc3-c3ccnc(C(=O)C(F)(F)F)c3)CC2)C1=O,PSUXFCPEPJRFQO-UHFFFAOYSA-N
-rxn:4:212723:223998,CCOc1ccc(-c2noc(C3CCN(S(=O)(=O)c4ccc(-c5ccc(S(=O)(=O)N6CCC(C)CC6)c(F)c5)cc4)CC3)n2)cc1,YPOLXUQRSHXRFS-UHFFFAOYSA-N
-rxn:4:212746:223279,CC1CN(Cc2ccc(-c3cnc(C4CCCN4)nc3)cc2N2CCOCC2)CCN1C(=O)OC(C)(C)C,WHKXEJGVDXQHQA-UHFFFAOYSA-N
-rxn:4:212770:223564,CCOC(=O)c1nn2c(c1-c1cc(C)c(COc3cc(OC)cc(OC)c3)c(C)c1)CN(C(=O)OC(C)(C)C)CC2,YKLJHKRGCUMQMC-UHFFFAOYSA-N
-rxn:4:212814:225405,Cc1cc(-c2ccccc2)ccc1-c1c2c(nn1C(=O)OC(C)(C)C)C(C)(C)N(C(=O)OC(C)(C)C)C2,VSDUSJZLWWQOOI-UHFFFAOYSA-N
-rxn:4:212814:229254,CC(C)(C)OC(=O)N1Cc2c(nn(C(=O)OC(C)(C)C)c2-c2ccncc2Cl)C1(C)C,OZAYFAVQNNWKGT-UHFFFAOYSA-N
-rxn:4:212827:223279,CN(C(=O)OC(C)(C)C)C1CCN(C(=O)c2cc3cc(-c4cnc(C5CCCN5)nc4)ccc3[nH]2)CC1,ZDBXXFDXKGAPON-UHFFFAOYSA-N
-rxn:4:212930:223527,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)ccc2-c2ccc(C(=O)N3CCN=C3SCc3cccnc3)cc2)CC1,IAPBVTBEPSRJBE-UHFFFAOYSA-N
-rxn:4:212944:226844,CCOC(=O)N1CCN(c2ncc(C(F)(F)F)cc2-c2ccnc(C(=O)C(F)(F)F)c2)CC1,LQCCYVOFTUXEQJ-UHFFFAOYSA-N
-rxn:4:212979:224243,CC1CCCCN1C(=O)c1cc(F)cc(-c2cnc(OC3CCN(C(=O)Cc4ccc(Cl)cc4)C3)nc2)c1,USEVVOIPMSBIAC-UHFFFAOYSA-N
-rxn:4:212988:223179,CONC(=O)c1cc(-c2nc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cs2)ccc1F,GSPDJLGVRJUPMU-UHFFFAOYSA-N
-rxn:4:212988:226844,CC(C)(C)OC(=O)N1CCN(C(=O)c2csc(-c3ccnc(C(=O)C(F)(F)F)c3)n2)CC1,KMOMCEGUKYQNCM-UHFFFAOYSA-N
-rxn:4:212989:226844,CC(C)(C)OC(=O)N1CCN(C(=O)c2cnc(-c3ccnc(C(=O)C(F)(F)F)c3)s2)CC1,QFYHIIDLANWJFX-UHFFFAOYSA-N
-rxn:4:213010:226844,CC(C)(C)OC(=O)N1CCO[C@H](Cn2cc(-c3ccnc(C(=O)C(F)(F)F)c3)cn2)C1,BPEFCVBZVSZZSI-HNNXBMFYSA-N
-rxn:4:213012:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cnc(OC2CCN(C(=O)CC(C)C)CC2)nc1,ZTLTUEDFASBNOY-UHFFFAOYSA-N
-rxn:4:213018:222730,CCCc1cc(-c2cnn(CC3CN(C(=O)C4(c5ccc(F)cc5)CC4)C3)c2)cc(C2CCNCC2)n1,XWXFKCXHAMPWSF-UHFFFAOYSA-N
-rxn:4:213038:226330,CC(c1ccc(-c2c[nH]c(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)s1)N1CCCC1,DLYREBPSPQHPGG-UHFFFAOYSA-N
-rxn:4:213066:226844,O=C(c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)o1)N1CCC(N2CC(=O)N(CC(F)(F)F)C2=O)CC1,INBSMCGQEHIWTR-UHFFFAOYSA-N
-rxn:4:213074:226844,CC(C)(C)OC(=O)N1CCC(Cn2ccnc2-c2ccnc(C(=O)C(F)(F)F)c2)CC1,JBNDVPXAOPMZME-UHFFFAOYSA-N
-rxn:4:213077:225269,COC(=O)c1ccc(-c2cn(C3CCN(C(=O)OC(C)(C)C)CC3)nc2C(F)F)c(C(=O)OC)c1,WJNGHXUWSKWJRF-UHFFFAOYSA-N
-rxn:4:213079:223183,CNS(=O)(=O)c1ccc(-c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cn2)c(C)c1,RMCNTZKHDKZUOV-UHFFFAOYSA-N
-rxn:4:213080:226844,CC(C)(C)OC(=O)N1CCN(C(=O)c2cncc(-c3ccnc(C(=O)C(F)(F)F)c3)c2)CC1,SWMWBUGNFXLQRD-UHFFFAOYSA-N
-rxn:4:213123:223026,CCCNC(=O)c1ccc(-c2ccccc2CC(=O)N2CCN(c3ccnc(C(F)(F)F)c3)C(=O)C2)cc1F,GQQKTCBJBRVENI-UHFFFAOYSA-N
-rxn:4:213123:225760,CCN(C)C(=O)c1ccc(-c2ccccc2CC(=O)N2CCN(c3ccnc(C(F)(F)F)c3)C(=O)C2)c(F)c1,MFWZMWCJTRHMOF-UHFFFAOYSA-N
-rxn:4:213123:226090,CCN(CC)Cc1cccc(-c2ccccc2CC(=O)N2CCN(c3ccnc(C(F)(F)F)c3)C(=O)C2)c1,CLGFWSSBISKWMN-UHFFFAOYSA-N
-rxn:4:213123:226475,CCOc1ccc(-c2ccccc2CC(=O)N2CCN(c3ccnc(C(F)(F)F)c3)C(=O)C2)c(OCC)n1,CBCGNBASQKGRKA-UHFFFAOYSA-N
-rxn:4:213123:226731,CN(C)S(=O)(=O)c1ccccc1-c1ccccc1CC(=O)N1CCN(c2ccnc(C(F)(F)F)c2)C(=O)C1,AFHJLAUDPFGABJ-UHFFFAOYSA-N
-rxn:4:213123:226844,O=C(Cc1ccccc1-c1ccnc(C(=O)C(F)(F)F)c1)N1CCN(c2ccnc(C(F)(F)F)c2)C(=O)C1,UBZLPEUQWFQZNW-UHFFFAOYSA-N
-rxn:4:213125:224595,COc1cc(N2CCCC(C)C2)ccc1-c1cccc(CN2CCN(C(=O)OC(C)(C)C)CC2)n1,LHHHSUSBBPXLBV-UHFFFAOYSA-N
-rxn:4:213133:226844,O=C(c1cc(-c2cnc(OCC3CCN(CC4CCCO4)CC3)nc2)ccn1)C(F)(F)F,NXFWWDLLWMDZLY-UHFFFAOYSA-N
-rxn:4:213134:225984,CCC(C)(C)C(=O)N1CCC(Oc2ncc(-c3cnc(Cl)c(N4CCOCC4)c3)cn2)CC1,FMIAOBUKDVWXED-UHFFFAOYSA-N
-rxn:4:213138:226844,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3ccnc(C(=O)C(F)(F)F)c3)cnc2F)CC1,BWXVZQSDUKIDKP-UHFFFAOYSA-N
-rxn:4:213139:223279,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(C4CCCN4)nc3)cc2[N+](=O)[O-])CC1,MVEPYDPYDLWPQM-UHFFFAOYSA-N
-rxn:4:213140:226888,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cc(Cl)c(F)c(C(F)(F)F)c3)cc([N+](=O)[O-])c2)CC1,JNUIKWYWVGFWOZ-UHFFFAOYSA-N
-rxn:4:213142:227235,CCOc1ccc(-c2cccc(N3CCN(C(=O)OC(C)(C)C)CC3)c2[N+](=O)[O-])cc1C#N,JGUFYWACLSEHHF-UHFFFAOYSA-N
-rxn:4:213145:223598,Cn1c(-c2ccc(-c3ccc(OCCN4CCC5(CC4)OCCO5)c(F)c3)cc2)cnc1SCC(=O)N1CCCCC1,SMCRGEMJLBCDJZ-UHFFFAOYSA-N
-rxn:4:213150:224941,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(-c3ccc(CCN4CCOCC4)cc3)cn2)CC1,LNTBVMYJJOCEOH-UHFFFAOYSA-N
-rxn:4:213159:224563,COc1cc(N2CCN(C(=O)Cc3ccccc3-c3ccc(C)cc3O[Si](C)(C)C(C)(C)C)CC2=O)ccn1,SZKXGJZLBISZMI-UHFFFAOYSA-N
-rxn:4:213177:222542,Cc1cccc(OCC2CCCN(C(=O)c3cncc(-c4ccc(C)c(OCCCN5CCNCC5)c4)c3)C2)n1,DNBWCVWMZNPSKW-UHFFFAOYSA-N
-rxn:4:213192:228013,CC(=O)N1CCN(c2cc(C(=O)OC(C)(C)C)cc(-c3ccc(F)c(C4CC4)c3)n2)CC1,NCCYKLASJVVEGZ-UHFFFAOYSA-N
-rxn:4:213202:222826,Cc1ccc(OCC2CCN(S(=O)(=O)c3ccccc3-c3cccc(S(=O)(=O)N4CCNCC4)c3)CC2)nn1,DLPXCENOOMUVNR-UHFFFAOYSA-N
-rxn:4:213218:223279,C[C@H]1CN(Cc2ccc(-c3cnc(C4CCCN4)nc3)cn2)CCN1C(=O)OC(C)(C)C,MRCHYZKUGFZUHB-PBVYKCSPSA-N
-rxn:4:213239:226844,O=C(c1cncc(-c2ccnc(C(=O)C(F)(F)F)c2)c1)N1CCN(C(=O)C2CC2c2ccc(F)cc2)CC1,WPJJOLVVCNHTNM-UHFFFAOYSA-N
-rxn:4:213243:223279,O=C(CN1CCN(Cc2ccc(-c3cnc(C4CCCN4)nc3)cc2)CC1)N1CCOCC1,LUZHCOFKZXBLLI-UHFFFAOYSA-N
-rxn:4:213244:225090,CCOCc1cc(OC)c(-c2ccc(CN3CCN(CC(F)(F)F)CC3)c(N3CCCC3)c2)c(OC)c1,BEKQPQLMNAECEE-UHFFFAOYSA-N
-rxn:4:213260:223279,O=S1(=O)CCC(CN2CCCC(COc3ncc(-c4cnc(C5CCCN5)nc4)cn3)C2)CC1,MVQRRKWTSWLPHG-UHFFFAOYSA-N
-rxn:4:213261:223279,FC(F)(F)CN1CCN(Cc2ccc(-c3cnc(C4CCCN4)nc3)cc2N2CCOCC2)CC1,KWZWFNQUMIVIBU-UHFFFAOYSA-N
-rxn:4:213262:225009,Cc1cnc(OC2CCCCC2)c(-c2ccc(C(=S)N3CCN(C(=S)c4ccc(N(C)C)cc4)CC3)cc2)c1,IIKROWYQIIQYRW-UHFFFAOYSA-N
-rxn:4:213268:225849,C[C@H]1C[C@@H](c2nc(-c3ccc(-c4cnc(N5CCCCC5)cc4F)cc3)c[nH]2)N(C(=O)OC(C)(C)C)C1,AVZZUXGBAJBAGG-DFBJGRDBSA-N
-rxn:4:213269:222584,COc1ccc(-c2ccc(OCCCN3CCNCC3)c(F)c2)c(C(=O)N2CCC(n3nc(C4CC4)ccc3=O)CC2)c1,KVGKEGQNDLVSRL-UHFFFAOYSA-N
-rxn:4:213281:225132,Cc1nccn1-c1ccc(-c2cccnc2OC2CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)CC2)c(C#N)c1,KYLHPUOLSVSRDG-UHFFFAOYSA-N
-rxn:4:213289:225561,CC(C)(C)OC(=O)c1ccccc1-c1cnc(C(C)(C)C)nc1C1CCN(C(=O)OC(C)(C)C)CC1,AMJHYPTXKAQJSB-UHFFFAOYSA-N
-rxn:4:213290:223279,O=C(N1CCCC(Oc2ncc(-c3cnc(C4CCCN4)nc3)cn2)C1)C1(c2ccccc2)CCOCC1,GIRWVEWVHURVQP-UHFFFAOYSA-N
-rxn:4:213305:222573,CC(=O)N(CCN(C)C)c1nc2ccc(-c3cc(F)cc(C(=O)NCC4CCCCC4)c3)cc2s1,YESWTTAOGVSUSI-UHFFFAOYSA-N
-rxn:4:213336:225110,COC(=O)c1nc(-c2ccc(OC(=O)OC(C)(C)C)cc2)n2c1CCN(C(=O)OC(C)(C)C)CC2,OTXKPZMFHNOXGF-UHFFFAOYSA-N
-rxn:4:213391:224009,CCCCn1c(C2CC(=O)N(c3ccc(-c4ccc(OC)c(S(=O)(=O)N5CCOCC5)c4)cc3)C2)nc2ccccc21,MGVGLJDGBBIHHJ-UHFFFAOYSA-N
-rxn:4:213408:225285,CC(C)Cc1ncc(-c2ccc(Oc3nc4ccccn4c(=O)c3C=C3SC(=S)N(CC(C)C)C3=O)cc2)cc1C(F)(F)F,GUAMOLIFMAOMGY-UHFFFAOYSA-N
-rxn:4:213412:223279,CC(C)CS(=O)(=O)C1CCN(C(=O)c2c3ccc(-c4cnc(C5CCCN5)nc4)cc3nn2C)CC1,PWTOTHMWOYMEKV-UHFFFAOYSA-N
-rxn:4:213415:225424,CCCCCC(=O)c1ccc(-c2ccc(-n3c(SCC(=O)N4CCCCCC4)nc4c(c3=O)SCC4)cc2)cc1,HWDHKYUHYNGDMU-UHFFFAOYSA-N
-rxn:4:213428:222947,CC(C)(C)OC(=O)N1CCC[C@H]1c1ncc(-c2ccc3cc(-c4cnc(N5CCCC(O)C5)nc4Cl)ccc3c2)[nH]1,ZONGFLIDHKMXGB-NASUQTAISA-N
-rxn:4:213439:223279,O=C(Cn1ccc2c(-c3cnc(C4CCCN4)nc3)cccc21)N1CCN(C(=O)C2COc3ccccc3O2)CC1,CFVANXSHWYQLLH-UHFFFAOYSA-N
-rxn:4:213444:223279,O=C(Cc1ccc(-c2cnc(C3CCCN3)nc2)cc1)N1CCC(Cn2nc3c(cc2=O)CCCC3)CC1,SGLKPKVMSQGOFX-UHFFFAOYSA-N
-rxn:4:213453:223179,CONC(=O)c1cc(-c2ccc(C(=O)CSC3=Nc4ccccc4C4=NC(C(C)C)C(=O)N34)cc2)ccc1F,IYTXZTHJZQXYDN-UHFFFAOYSA-N
-rxn:4:213453:223279,CC(C)C1N=C2c3ccccc3N=C(SCC(=O)c3ccc(-c4cnc(C5CCCN5)nc4)cc3)N2C1=O,NUFPZASBRIEJPS-UHFFFAOYSA-N
-rxn:4:213462:223489,Cc1ccc(Cn2c(SCc3cccc(-c4ccc(S(=O)(=O)N5CCC(O[Si](C)(C)C(C)(C)C)CC5)cc4)c3)nc3c(sc4ncccc43)c2=O)cc1,CNBAPJPSFMODHN-UHFFFAOYSA-N
-rxn:4:213604:222583,CCS(=O)(=O)N1CCC(Oc2ncc(-c3ccc(C(=O)NCCN4CCOCC4)cc3)cn2)C1,DBANJYNPTCDOFE-UHFFFAOYSA-N
-rxn:4:213634:223943,Cc1cc2c(cnn2C2CCCCO2)c(-c2cnn(CC3CCCN(CC(F)(F)F)C3)c2)c1Cl,RVZYCJNVNMTCFB-UHFFFAOYSA-N
-rxn:4:213665:224668,CCOC(=O)N1CCN(c2ncccc2-c2cc(F)cc(N3CCN(CC)CC3)c2)CC1,XLYAHKZNXOOERY-UHFFFAOYSA-N
-rxn:4:213680:223983,CCN1CCN(S(=O)(=O)c2ccccc2-c2cc(N3CCN(CC(F)(F)F)CC3)c([N+](=O)[O-])cc2F)CC1,PVJQRSCDODGULS-UHFFFAOYSA-N
-rxn:4:213686:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2cnn(CC3CN(C(=O)C(C)(C)C)C3)c2)cc1,MIXSMSFJAKMUBB-UHFFFAOYSA-N
-rxn:4:213693:223179,CONC(=O)c1cc(-c2cnn(C(C)C(=O)N3CCCC(C(F)(F)F)C3)c2)ccc1F,LEBCYTJQCJQDRZ-UHFFFAOYSA-N
-rxn:4:213711:223498,CC(C)(C)OC(=O)N1CCCN(C(=O)c2ccc(-c3ccc(Cl)c(C(=O)N4CC(c5nc(-c6ccco6)no5)C4)c3)cc2)CC1,WLSANHXGPWORJB-UHFFFAOYSA-N
-rxn:4:213755:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1csc(N2CCN(C(=O)OC(C)(C)C)CC2)n1,XDGWQQPVCNYPGY-UHFFFAOYSA-N
-rxn:4:213801:223945,CC(C)(C)OC(=O)N1CCOC(c2cncc(-c3ccc(OCCCN4CCOCC4)c(F)c3)n2)C1,VMHBNIODPWGDRV-UHFFFAOYSA-N
-rxn:4:213863:222694,O=S(=O)(NC1CCCCC1)c1cccc(-c2ccc(S(=O)(=O)N3CCCC(Oc4ncccn4)C3)cc2)c1,XOOOHXCGLDYTIJ-UHFFFAOYSA-N
-rxn:4:213879:222912,CC(C)CNS(=O)(=O)c1ccc(-c2ncccc2N2CCN(C(=O)OC(C)(C)C)CC2)cc1,UGZPENCTPNUGLZ-UHFFFAOYSA-N
-rxn:4:213885:222634,CC(C)(C)OC(=O)N1CCCC(c2ccnc(-c3ccc(OCCNC4CCCC4)c(F)c3)n2)C1,UTFSQDKUOJPJRN-UHFFFAOYSA-N
-rxn:4:213893:222614,CC(C)(C)OC(=O)N1CCN(c2cncc(-c3ccc(S(=O)(=O)NC4CC4)cc3C(F)(F)F)c2)CC1,HJOZSIYOXIYVBT-UHFFFAOYSA-N
-rxn:4:213896:225752,COC(=O)c1cnc(C(C)C)c(-c2cnc(C3CCN(C(=O)OC(C)(C)C)CC3)nc2)c1,HWNKDQVEUAUANC-UHFFFAOYSA-N
-rxn:4:213897:225875,CC(C)(C)OC(=O)N1CCN(c2ccncc2-c2ccc(N3CCOCC3)cc2Cl)CC1,SOHUUHGJCLQJMA-UHFFFAOYSA-N
-rxn:4:213899:222801,COC(=O)c1nc(N2CCN(C(C)C)CC2)ccc1-c1ccc(C)c(S(=O)(=O)NC(C)(C)C)c1,CKWNITPQJVKJCJ-UHFFFAOYSA-N
-rxn:4:213910:225997,CCOc1ncc(-c2cccnc2OC2CCN(S(=O)(=O)N3CCOCC3)C2)cc1C(F)(F)F,VMXMNYYVPGOIPV-UHFFFAOYSA-N
-rxn:4:213938:224324,O=C1CCN(C(=O)c2cc(-c3ccc(S(=O)(=O)N4CCN(c5ccc(C(F)(F)F)cn5)CC4)cc3)ccc2F)CC1,IXDBSRSNEUYSKY-UHFFFAOYSA-N
-rxn:4:213943:226275,Cc1cc(-c2cn[nH]c2C2(C)CCN(C(=O)OC(C)(C)C)CC2)cnc1OCC(C)C,LGGQESFPXSDHFM-UHFFFAOYSA-N
-rxn:4:213943:226844,CC(C)(C)OC(=O)N1CCC(C)(c2[nH]ncc2-c2ccnc(C(=O)C(F)(F)F)c2)CC1,SZFXKCYZZMJCGC-UHFFFAOYSA-N
-rxn:4:213949:224608,COC(=O)c1cc(OCC2CC2)cc(-c2ccc(C(=O)N3CCC(Cn4nc(C)cc4C)CC3)o2)c1,VGEPRQCCJKPNOE-UHFFFAOYSA-N
-rxn:4:213954:224462,O=C1C(N2CCC(Oc3ccncc3-c3ccc(C4CCN(C5CC5)CC4)cc3)C2)CCN1C1CC1,VBLJHMVBUFPEKP-UHFFFAOYSA-N
-rxn:4:213962:223810,Cc1cnc(OC2CCN(Cc3ccc(-c4cc(C)c(S(=O)(=O)N5CCC(C)CC5)c(C)c4)cc3F)CC2)nc1,BLSDRLYTYZDZHG-UHFFFAOYSA-N
-rxn:4:213972:224653,O=C(C1CN(c2ncc(-c3ccc(Cl)cc3OCC3CCCCO3)cc2C(F)(F)F)CCO1)N1CCOCC1,BFTAPHGWZVMJPE-UHFFFAOYSA-N
-rxn:4:213985:225877,Cc1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)c(-c2ccc(Cl)cc2N2CCOCC2)c1,HGAJOSLBLMGLEB-UHFFFAOYSA-N
-rxn:4:213991:222713,COc1ccc(S(=O)(=O)NC(C)(C)C)c(-c2cnc(OC3CCN(CC4CCCOC4)CC3)nc2)c1,PLGOLLVLUOOIGP-UHFFFAOYSA-N
-rxn:4:213992:226844,O=C(c1cc(-c2cnc(OC3CCN(CC4CCOCC4)CC3)nc2)ccn1)C(F)(F)F,NIPKAZSVVMXZAL-UHFFFAOYSA-N
-rxn:4:213993:225919,COCc1cc(C(F)(F)F)ccc1-c1cnc(N2CCN(C)CC2)c(C(=O)OC(C)(C)C)c1,UDEKVBFUPAOZAZ-UHFFFAOYSA-N
-rxn:4:214005:223179,CONC(=O)c1cc(-c2cccc(C(=O)N3CCN(C(=O)N4CCOCC4)CC3)c2)ccc1F,JFKUZVXLLSCCDV-UHFFFAOYSA-N
-rxn:4:214005:226844,O=C(c1cccc(-c2ccnc(C(=O)C(F)(F)F)c2)c1)N1CCN(C(=O)N2CCOCC2)CC1,LHAFJKAQGBDQLO-UHFFFAOYSA-N
-rxn:4:214012:223057,Cn1ccnc1S(=O)(=O)C1CCN(S(=O)(=O)c2ccccc2-c2cc(Cl)nc(C3CCCNC3)c2)CC1,BWCLHIMVEGZAEO-UHFFFAOYSA-N
-rxn:4:214012:223058,Cn1ccnc1S(=O)(=O)C1CCN(S(=O)(=O)c2ccccc2-c2cc(F)nc(C3CCCNC3)c2)CC1,SOBUQVFKPNWXRS-UHFFFAOYSA-N
-rxn:4:214012:223063,Cn1ccnc1S(=O)(=O)C1CCN(S(=O)(=O)c2ccccc2-c2cc(F)nc(C3CCNCC3)c2)CC1,PFMNBCDAVPPPNV-UHFFFAOYSA-N
-rxn:4:214026:223115,CC(=O)NCCc1ccc(-c2cc(C(F)(F)F)cnc2N2CCCC(C(=O)N3CCOCC3)C2)cc1,CQQZNHXVIDFXQR-UHFFFAOYSA-N
-rxn:4:214027:224395,O=C(C1CCCN(c2ncc(-c3cc(N4CCOCC4)cc(C(F)(F)F)c3)cc2C(F)(F)F)C1)N1CCOCC1,WWEKOMSYHZXBHW-UHFFFAOYSA-N
-rxn:4:214027:225518,CCCCCOc1ncc(C)cc1-c1cnc(N2CCCC(C(=O)N3CCOCC3)C2)c(C(F)(F)F)c1,MOEZQEGNEOIPCM-UHFFFAOYSA-N
-rxn:4:214027:227011,CC(C)OCc1ccc(-c2cnc(N3CCCC(C(=O)N4CCOCC4)C3)c(C(F)(F)F)c2)cc1,VXMFIUQXVYOWAX-UHFFFAOYSA-N
-rxn:4:214028:228957,O=C(C1CN(c2ncc(C(F)(F)F)cc2-c2cc(F)cc(Cl)c2F)CCO1)N1CCCCC1,CKYZXPYIAACMFU-UHFFFAOYSA-N
-rxn:4:214033:225436,CC(C)[C@H]1COC(c2cc(-c3ccc(CN4CCCCC4)cc3)cc(C3=N[C@@H](C(C)C)CO3)n2)=N1,QBXQBUJHGKJOCD-KAYWLYCHSA-N
-rxn:4:214042:226844,O=C(c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)o1)N1CCC(N2CC(=O)N(c3ccccc3)C2=O)CC1,MVPHNRHFOQDPKL-UHFFFAOYSA-N
-rxn:4:214046:223279,C[C@@H]1CN(c2ccc(-c3cnc(C4CCCN4)nc3)cn2)[C@@H](C)CN1C(=O)OC(C)(C)C,KRUGUZUZQGUBDO-QJNHQHDKSA-N
-rxn:4:214048:223279,Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2C)ncc1-c1cnc(C2CCCN2)nc1,YGQKHEWRVARDRG-UHFFFAOYSA-N
-rxn:4:214050:223279,C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)CN1c1ncc(-c2cnc(C3CCCN3)nc2)cc1F,CYJWIUBHDMDZMH-BUWRGNEYSA-N
-rxn:4:214057:226374,CCN1CCN(Cc2ccc(-c3cncnc3C3CCCCC3)cc2N2CCCC2)CC1,YNZBYQYALZCIDX-UHFFFAOYSA-N
-rxn:4:214070:224303,CC(C)(C)[Si](C)(C)Oc1ccc(-c2ccccc2C(=O)N2CCC(N3CC(=O)N(c4ccccc4)C3=O)CC2)c(F)c1F,HRBGTNVSURRNAI-UHFFFAOYSA-N
-rxn:4:214074:223179,CONC(=O)c1cc(-c2ccc(S(=O)(=O)n3nc(C)c(S(=O)(=O)N4CCCC(C)C4)c3C)cc2)ccc1F,OFRYCKWTNKAFHH-UHFFFAOYSA-N
-rxn:4:214074:226844,Cc1nn(S(=O)(=O)c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2)c(C)c1S(=O)(=O)N1CCCC(C)C1,WYTZCZDGXHQZTP-UHFFFAOYSA-N
-rxn:4:214086:223279,CC(C)N1CCN(Cc2ccc(-c3cnc(C4CCCN4)nc3)cc2N2CCCCC2)CC1,LVISSTPNZXPJDX-UHFFFAOYSA-N
-rxn:4:214145:226844,CC(C)(C)OC(=O)N1CCn2c(C(F)(F)F)nc(-c3ccnc(C(=O)C(F)(F)F)c3)c2C1,WRQSQGLZYBWRKJ-UHFFFAOYSA-N
-rxn:4:214153:223074,CN(C(=O)OC(C)(C)C)[C@H]1COc2c(-c3cccc(NS(=O)(=O)C4CC4)c3)cnn2C1,GNNKQHDWBBHGJC-MRXNPFEDSA-N
-rxn:4:214181:224414,CCCC(=O)N1CCN(c2nc3ccc(-c4ccc(C(F)(F)C(F)(F)C(F)(F)F)nc4)cc3s2)CC1,FXXSRKQRBDCZKU-UHFFFAOYSA-N
-rxn:4:214193:222440,CC(Oc1nn(C)c2ccc(-c3ccc(S(=O)(=O)NCc4ccco4)cc3C(F)(F)F)cc12)C(=O)N1CCSCC1,XEZSWMHGTWHDIZ-UHFFFAOYSA-N
-rxn:4:214230:222845,CC(c1ccc(-c2cnc3c(C4=CCN(C(=O)OC(C)(C)C)CC4)c[nH]c3c2)cc1)N1CCNCC1,SYQSLWWZERQPLD-UHFFFAOYSA-N
-rxn:4:214275:225890,CC(C)(C)OC(=O)N1CCC(c2n[nH]c3ccc(-c4cnn(COCC[Si](C)(C)C)c4)cc23)CC1,RDEANAMDFLURCC-UHFFFAOYSA-N
-rxn:4:214335:225356,CCOc1ccc(C(F)(F)F)c(F)c1-c1ccccc1CN1CCC(N(C)C2=NS(=O)(=O)c3ccccc32)CC1,CKPPJSKGMNBZBR-UHFFFAOYSA-N
-rxn:4:214336:223179,CONC(=O)c1cc(-c2ccc(CN3CCC(N(C)C4=NS(=O)(=O)c5ccccc54)CC3)cc2)ccc1F,TWBCVKBLZDTILG-UHFFFAOYSA-N
-rxn:4:214379:223312,O=C(c1ccc(-c2ccc(C3CNC3)cc2)o1)N1CCN(S(=O)(=O)c2cc3c4c(c2)CCN4C(=O)CC3)CC1,GKCRKMHMYSLSDQ-UHFFFAOYSA-N
-rxn:4:214391:223279,COc1ccc(C2=NN3C(C2)c2cc(-c4cnc(C5CCCN5)nc4)ccc2OC32CCN(Cc3ccccc3)CC2)cc1,SFHKVZJIGTWJDD-UHFFFAOYSA-N
-rxn:4:214585:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1ncccc1CN1CC(S(N)(=O)=O)C1,BBNIMLCTZKQIBT-UHFFFAOYSA-N
-rxn:4:214655:223831,COc1ccc(-c2cnn(C(C)C(=O)N3CCC(F)(F)CC3)c2)cc1S(=O)(=O)N1CCC(C)CC1,GXKOWOYMXMPXOX-UHFFFAOYSA-N
-rxn:4:214764:222465,CC(C)CN1CCN(c2cncc(-c3cc(C4CCCCC4)nc(C4CCCNC4)c3)c2)CC1,QNJSFBUGBWTDDA-UHFFFAOYSA-N
-rxn:4:214774:222521,CN(C)S(=O)(=O)N1CCN(c2ccc(-c3cc(NC(=O)OC(C)(C)C)cc(C(F)(F)F)c3)cc2)CC1,XVIJTRFHTQXVMR-UHFFFAOYSA-N
-rxn:4:214786:223527,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)ccc2-c2ccccc2S(=O)(=O)N2CCN(c3cccnc3)C(=O)C2)CC1,PWRGMIDMPHPGIP-UHFFFAOYSA-N
-rxn:4:214819:223787,CN1CCN(CCCOc2ccc(-c3cc(Cl)cnc3N3CCOC(C(=O)N4CCCC4)C3)cc2F)CC1,VBRSHEBHFGXEEP-UHFFFAOYSA-N
-rxn:4:214820:223179,CONC(=O)c1cc(-c2cnc(N3CCOC(C(=O)N4CCCC4)C3)c(F)c2)ccc1F,CEPWLQXAXMDDIU-UHFFFAOYSA-N
-rxn:4:214830:223155,CCNC(=O)c1cc(Cl)cc(-c2ccc(N3CCOC(C(=O)N4CCSCC4)C3)nc2)c1,IIDJPZGIRRUILU-UHFFFAOYSA-N
-rxn:4:214835:223787,CN1CCN(CCCOc2ccc(-c3cc(Cl)cnc3N3CCOC(C(=O)N4CCOCC4)C3)cc2F)CC1,OXFUDQRBAWZVQX-UHFFFAOYSA-N
-rxn:4:214836:224429,CC(C)COc1ccc2cc(-c3cc(Cl)cnc3N3CCOC(C(=O)N4CCSCC4)C3)ccc2c1,AIPCMTISJADLDZ-UHFFFAOYSA-N
-rxn:4:214837:223809,O=C(C1CN(c2ncc(-c3cc(N4CCOCC4)cc(N4CCOCC4)c3)cc2Cl)CCO1)N1CCSCC1,MWLMYVJDOSVKNG-UHFFFAOYSA-N
-rxn:4:214838:223179,CONC(=O)c1cc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)c(F)c2)ccc1F,HDFLTPVUHIBMNE-UHFFFAOYSA-N
-rxn:4:214838:223279,O=C(C1CN(c2ncc(-c3cnc(C4CCCN4)nc3)cc2F)CCO1)N1CCOCC1,XDFUTDMDJCITTK-UHFFFAOYSA-N
-rxn:4:214855:222899,CCCCNS(=O)(=O)c1ccc(-c2cnc(OC3CCN(C4CCSCC4)CC3)nc2)cc1,RVLCWHLWAXBWGY-UHFFFAOYSA-N
-rxn:4:214857:222694,Cn1ccc(C2CCN(S(=O)(=O)c3ccc(-c4cccc(S(=O)(=O)NC5CCCCC5)c4)cc3)CC2)n1,AHJPCFVCTSUFFJ-UHFFFAOYSA-N
-rxn:4:214862:223787,CN1CCN(CCCOc2ccc(-c3cncc(C(=O)N4CCCN(C5CCSC5)CC4)c3)cc2F)CC1,SKTORJVVJQBEIC-UHFFFAOYSA-N
-rxn:4:214862:226844,O=C(c1cncc(-c2ccnc(C(=O)C(F)(F)F)c2)c1)N1CCCN(C2CCSC2)CC1,GIISRANFVWWANK-UHFFFAOYSA-N
-rxn:4:214867:222584,Cc1cc(-c2ccc(OCCCN3CCNCC3)c(F)c2)cnc1N1CCOC(C(=O)N2CCCC2)C1,GFLDTFTYSUQWNO-UHFFFAOYSA-N
-rxn:4:214867:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2cnc(N3CCOC(C(=O)N4CCCC4)C3)c(C)c2)CC1,JALHDXZQQGHLOL-UHFFFAOYSA-N
-rxn:4:214871:226232,CN(C)CCOc1cccc(-c2cnc(N3CCCC(C(=O)N4CCOCC4)C3)c(Cl)c2)c1,VSTORUZLSIKMGA-UHFFFAOYSA-N
-rxn:4:214872:222590,O=C(C1CN(c2ncc(Cl)cc2-c2ccc(S(=O)(=O)NCc3ccccc3)cc2)CCO1)N1CCCCC1,YPQFKSBVLFDWDZ-UHFFFAOYSA-N
-rxn:4:214880:224400,Cc1cc(-c2ccc(N3CCOCC3)c(C(F)(F)F)c2)cnc1N1CCOC(C(=O)N2CCOCC2)C1,VWLFNAGAFWACBY-UHFFFAOYSA-N
-rxn:4:214880:224788,CCCCOc1ncc(C(F)(F)F)cc1-c1cnc(N2CCOC(C(=O)N3CCOCC3)C2)c(C)c1,IZDWCYPNINXQNV-UHFFFAOYSA-N
-rxn:4:214883:226501,CCOC(=O)c1cc(-c2cnccc2N2CCC(C(=O)N3CCC(F)(F)CC3)CC2)cnc1C,XEUXWWSEPHKLFZ-UHFFFAOYSA-N
-rxn:4:214884:222862,CCCCNC(=O)c1ccc(-c2cc(Cl)cnc2N2CCC(C(=O)N3CCC(F)(F)CC3)CC2)cc1F,QUNOAMGTORVVOS-UHFFFAOYSA-N
-rxn:4:214884:226844,O=C(C1CCN(c2ncc(Cl)cc2-c2ccnc(C(=O)C(F)(F)F)c2)CC1)N1CCC(F)(F)CC1,JENYXHADPKBIIE-UHFFFAOYSA-N
-rxn:4:214884:227246,CCCOc1cccc(-c2cc(Cl)cnc2N2CCC(C(=O)N3CCC(F)(F)CC3)CC2)c1F,SZUFGOGIZKGAPS-UHFFFAOYSA-N
-rxn:4:214886:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnc(N4CCC(C(=O)N5CCC(F)(F)CC5)CC4)c(F)c3)c(F)c2)CC1,VWQOKSYLADDZJL-RQNOJGIXSA-N
-rxn:4:214888:226844,O=C(c1cncc(-c2ccnc(C(=O)C(F)(F)F)c2)c1)N1CCC2(CC1)OC(=O)N(c1ccccc1)C2=O,COXGFNDGQFRVNK-UHFFFAOYSA-N
-rxn:4:214896:223279,Cc1cc(-c2cnc(C3CCCN3)nc2)cnc1N1CCC(C(=O)N2CCC(F)(F)CC2)CC1,XXHFVWHUPDQZFB-UHFFFAOYSA-N
-rxn:4:214896:224699,Cc1cc(-c2ccc(Oc3cc(F)cc(F)c3)cc2)cnc1N1CCC(C(=O)N2CCC(F)(F)CC2)CC1,QFHXFZIOYFLPGG-UHFFFAOYSA-N
-rxn:4:214900:222916,CN1CCN(Cc2ccc(-c3cccc(C(=O)NC4=NCCS4)c3)cc2N2CCCCC2)CC1,IWLHJUMFNUIFOP-UHFFFAOYSA-N
-rxn:4:215028:223682,CC(C)OC(=O)N1CCn2c(cnc2-c2c(C(F)(F)F)ccc3c2cnn3C2CCCCO2)C1,CLUUEMQBKRWDBA-UHFFFAOYSA-N
-rxn:4:215054:223526,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3ncn4c3CCN(C(=O)OC(C)(C)C)C4=O)cc2)CC1,FUTPBAIEMRWXLN-UHFFFAOYSA-N
-rxn:4:215060:224167,CN(Cc1ccc(-c2ncn3c2CN(C(=O)OC(C)(C)C)CC3)cc1)C(=O)OC(C)(C)C,AQCLBTXSNZIEKS-UHFFFAOYSA-N
-rxn:4:215060:224732,CC(C)(C)COS(=O)(=O)c1ccc(-c2ncn3c2CN(C(=O)OC(C)(C)C)CC3)cc1,KROXYZNRJFFLHV-UHFFFAOYSA-N
-rxn:4:215063:224614,CN(C(=O)OC(C)(C)C)c1ccc(-c2cn3c(n2)CN(C(=O)OC(C)(C)C)CC3)cc1,NDFGYCQEKMMACB-UHFFFAOYSA-N
-rxn:4:215064:224757,CC(C)(C)OC(=O)N1CCc2nc(-c3cc(Cl)cc(C(=O)N4CCOCC4)c3)[nH]c2C1,RSSHUYORINZCKP-UHFFFAOYSA-N
-rxn:4:215066:224489,CC(C)N(Cc1ccc(F)cc1-c1cnn2c1N(C(=O)OC(C)(C)C)CCC2)C(C)C,MPCBVCIRTNORTO-UHFFFAOYSA-N
-rxn:4:215076:224257,CC1CCCCN1C(=O)c1ccc(Cl)c(-c2ccc3[nH]c(C(=O)N4CCC(C#N)CC4)cc3c2)c1,YDGRKPSDCZGQCV-UHFFFAOYSA-N
-rxn:4:215098:224064,CC1CCCCN1c1cc(-c2nn(C)c3c2CN(C(=O)OC(C)(C)C)CC3)cc(C2CC2)c1,GDIFELYQARBBCV-UHFFFAOYSA-N
-rxn:4:215107:224167,CN(Cc1ccc(-c2cnn3c2CN(C(=O)OC(C)(C)C)CCC3)cc1)C(=O)OC(C)(C)C,CCCFCAPXAZOIIT-UHFFFAOYSA-N
-rxn:4:215170:224337,O=C(c1cncc(-c2cnc(C(F)(F)F)c(C3CCCCC3)c2)c1)N1CC(N2C(=O)C3CC=CCC3C2=O)C1,DTSNUGDHBBCEJK-UHFFFAOYSA-N
-rxn:4:215214:224405,CC(C)(C)OC(=O)N1CCOCC2(Cc3ncc(-c4cc(F)c(F)cc4S(=O)(=O)N4CCCC4)n3C2)C1,RBXGCKMNYGNOJR-UHFFFAOYSA-N
-rxn:4:215295:224486,CC(C)N(C(=O)c1cccc(-c2cnc3n2CCc2ccccc2C32CCN(C(=O)OC(C)(C)C)CC2)c1)C(C)C,MRGOTKJXKDNXAW-UHFFFAOYSA-N
-rxn:4:215303:223279,CCCN1CCC2(CC1)Oc1ccc(-c3cnc(C4CCCN4)nc3)cc1C1CC(c3ccc4ccccc4c3)=NN12,MAFXLVCHTFJGQM-UHFFFAOYSA-N
-rxn:4:215304:226364,Cc1ccc(C2=NN3C(C2)c2cc(-c4ccc(N5CCCCC5)nc4)ccc2OC32CCN(Cc3ccccc3)CC2)cc1,HOSDQVGHFDQOMA-UHFFFAOYSA-N
-rxn:4:215731:223540,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1cnc(OC2CCN(C)C2)nc1,NTPDMFXBTPBRNZ-UHFFFAOYSA-N
-rxn:4:215818:223842,CC(=O)N1CCC(n2cc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCC(C)CC3)cn2)CC1,MHEJJICKBWHPOK-UHFFFAOYSA-N
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-rxn:4:215899:224328,CC1CCCCN1S(=O)(=O)c1cccc(-c2cnc(C3CCCN(S(C)(=O)=O)C3)cn2)c1,WRCQZDVRLKKLPT-UHFFFAOYSA-N
-rxn:4:215900:222607,CN1CCN(S(=O)(=O)c2ccc(-c3ccc(NC4CCN(S(C)(=O)=O)CC4)cc3)nc2)CC1,IWIZZCQRQPSMFK-UHFFFAOYSA-N
-rxn:4:215907:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1ccc(S(=O)(=O)N2CCN(C)CC2)nc1,SDHWDXSIEVCYAS-UHFFFAOYSA-N
-rxn:4:215907:224405,CN1CCN(S(=O)(=O)c2ccc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCCC3)cn2)CC1,DKZWDRBAJGEHRS-UHFFFAOYSA-N
-rxn:4:215926:222537,c1c(-c2cc(N3CCCCC3)nc(C3CC3)n2)cc(C2CCCNC2)nc1C1CCCC1,VHYJBQJBARCLCQ-UHFFFAOYSA-N
-rxn:4:215940:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3ccc(N4CCC(N(C)C)CC4)cn3)cc2)CC1,GQSWBLZSUMVBGU-UHFFFAOYSA-N
-rxn:4:215941:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3ccncc3N3CCC(N(C)C)CC3)cc2)CC1,HLNZINAJDATRSJ-UHFFFAOYSA-N
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-rxn:4:215957:223997,Cc1cc(-c2cccnc2N2CCC(N(C)C)CC2)cc(C)c1S(=O)(=O)N1CCOCC1,IRIOSDGNROUFIF-UHFFFAOYSA-N
-rxn:4:215960:222781,Cc1cc(NC(=O)OC(C)(C)C)c(-c2cc([N+](=O)[O-])c(C)cc2N2CCN(C)CC2)cn1,SDFLMQUUDYISLV-UHFFFAOYSA-N
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-rxn:4:217889:224598,COc1cc(N2CCC(C)CC2)ccc1-c1cnc(N2C3CCC2CC(=C2CC2)C3)nc1,OJICJXJWXLCKQO-UHFFFAOYSA-N
-rxn:4:217905:226281,Cc1ccc(C2=NN3C(C2)c2cc(-c4ccc(CC(=O)N(C)C)cc4)ccc2OC32CCN(C)CC2)o1,KTKNJIBICGOMSZ-UHFFFAOYSA-N
-rxn:4:218579:225223,CCN1CCN(c2oc(COc3ccc(-c4cnc(N5CCC(C)CC5)cc4F)cc3)nc2C#N)CC1,BWLINVSKENFZCN-UHFFFAOYSA-N
-rxn:4:218584:222658,N#Cc1ccc(CN2CCCC(COc3ncc(-c4cc(F)cc(C(=O)NC5CCCCC5)c4)cn3)C2)cc1,IMUFYQARMNNTQD-UHFFFAOYSA-N
-rxn:4:218603:222728,Cc1cccc(NCc2ccccc2-c2cnc(OCC3CCCN(C(=O)CN4C(=O)CCC4=O)C3)nc2)c1,VXSIMHGUVKQRLQ-UHFFFAOYSA-N
-rxn:4:218606:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3cnc(OCC4CCCN(C(=O)c5cccnc5OC)C4)nc3)c2)CC1,PMBPFLMOKOCQAA-UHFFFAOYSA-N
-rxn:4:218620:224672,CCN1CCN(c2ccc(-c3cnc(OCC4CCCN(Cc5csc(C6CC6)n5)C4)nc3)c(Cl)c2)CC1,XZUYSPHVXISFCC-UHFFFAOYSA-N
-rxn:4:218631:222507,COc1ccc(NC(=O)c2ccc(F)c(-c3cnc(OCC4CCN(C5CCN(CC(F)(F)F)C5=O)CC4)nc3)c2)cc1,WUFQPMIEPDBIHB-UHFFFAOYSA-N
-rxn:4:218631:223279,O=C1C(N2CCC(COc3ncc(-c4cnc(C5CCCN5)nc4)cn3)CC2)CCN1CC(F)(F)F,JWJOHCKZDYYKLH-UHFFFAOYSA-N
-rxn:4:218646:223533,COc1ccc(-c2ccc(=O)n(Cc3nc(-c4ccc(-c5ccc(CN6CCN(C(=O)OC(C)(C)C)CC6)cc5F)cc4)no3)n2)cc1OC,NPBBBIBVPMNZDX-UHFFFAOYSA-N
-rxn:4:218653:226844,COc1ccc(N2CC(C(=O)N3CC(Cn4cc(-c5ccnc(C(=O)C(F)(F)F)c5)cn4)C3)CC2=O)cc1,UBWFZCDZDSYBDF-UHFFFAOYSA-N
-rxn:4:218666:224736,CC(C)COc1cc(C(F)(F)F)ccc1-c1cncc(C(=O)N2CCC(COc3ccc(C(C)(C)C)nn3)C2)c1,XXQNNZVTSIRIQC-UHFFFAOYSA-N
-rxn:4:218683:225324,Cc1cnc(N(C)C2CCCN(C(=O)CCc3ccccc3-c3cn(CCC(C)C)nc3C(F)(F)F)C2)nc1,IDUMQWCQNVUNQN-UHFFFAOYSA-N
-rxn:4:218698:223279,O=C(C1CC(=O)N(c2ccc(-c3cnc(C4CCCN4)nc3)cc2)C1)N1CCN(CCc2ccncc2)CC1,YGVIGWWIGDCNTE-UHFFFAOYSA-N
-rxn:4:218700:226844,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3)CC2c2ccc(F)cc2)C(=O)C1=O,UTZMNQJMXYFCJV-UHFFFAOYSA-N
-rxn:4:218710:223027,CCCNC(=O)c1cc(F)cc(-c2ccc(C3=NN(C(=O)CN4CCN(CC)C(=O)C4=O)C(c4ccc(C)cc4)C3)cc2)c1,WHNAEZJXKDQWIW-UHFFFAOYSA-N
-rxn:4:218710:223294,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4csc(N5CCNCC5)n4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,SKBKPIXBRSRJRN-UHFFFAOYSA-N
-rxn:4:218710:225661,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(N5CCOCC5)cc4C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,GKZJBPZHZMCJIV-UHFFFAOYSA-N
-rxn:4:218710:229251,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(C)ncn4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,KCOUFRVGUKBEBS-UHFFFAOYSA-N
-rxn:4:218714:223279,Cc1cc(C)c(S(=O)(=O)N2CCN(C(=O)CCn3nc(C)c(-c4cnc(C5CCCN5)nc4)c3C)CC2)c(C)c1,YIYQKJVKOBUUGI-UHFFFAOYSA-N
-rxn:4:218733:223696,CCOc1ccc(N2CCn3c(SCc4ccc(-c5ccc(S(=O)(=O)N6CCC7(CC6)OCCO7)cc5)cc4)nnc32)cc1,QOMHZCHAIMHIBO-UHFFFAOYSA-N
-rxn:4:218768:227237,CCOC(=O)c1ccccc1-c1cc(CCC(=O)N2Cc3cnc(N4CCOCC4)nc3C2)ccc1OC,MQJSUUBTAZFDDX-UHFFFAOYSA-N
-rxn:4:218769:228809,CSc1ccc(Cl)c(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCCC4)CC3)c2)c1,DZMYZAGHMKPILP-UHFFFAOYSA-N
-rxn:4:218775:228225,O=C(CN1CCN(C(=O)Cn2ccc3cc(-c4cc(Cl)cnc4C4CC4)ccc32)CC1)N1CCCCCC1,HNSIGJNMXJJFCA-UHFFFAOYSA-N
-rxn:4:218786:222465,CS(=O)(=O)N1CCN(C(=O)CCC(=O)N2CCc3[nH]c4c(-c5cc(C6CCCCC6)nc(C6CCCNC6)c5)cccc4c3C2)CC1,SPUDJFQKRANGDN-UHFFFAOYSA-N
-rxn:4:218824:224325,CN(CC1CN(c2ncc(-c3ccc(C4=CCN(S(C)(=O)=O)CC4)cc3)cn2)C1)S(=O)(=O)C1CC1,WXWTUFGPSANOGQ-UHFFFAOYSA-N
-rxn:4:218848:224322,CC1CCN(S(=O)(=O)c2ccc(-c3cnc(OC4CCN(C(=O)c5cc(C6CC6)on5)C4)nc3)cc2)CC1,NBDAUVMGRRZMLP-UHFFFAOYSA-N
-rxn:4:218868:225600,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3cccnc3OC3CCCCC3)cc2)no1,NGAPLCXBDLEHGV-UHFFFAOYSA-N
-rxn:4:218868:225636,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3ccnc(N4CCC(C)CC4)c3)cc2)no1,CHKYKFJLQKMWTP-UHFFFAOYSA-N
-rxn:4:218868:226844,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2)no1,FWBFYXWIAYQJBR-UHFFFAOYSA-N
-rxn:4:218877:223867,CC1CCN(CCCOc2cccc(-c3cnc(OC4CCCN(C(=O)CN5CCOC5=O)C4)nc3)c2)CC1,UFEQRWKYPBCWTC-UHFFFAOYSA-N
-rxn:4:218888:222634,Cc1oncc1C(=O)N1CCCC(COc2ncc(-c3ccc(OCCNC4CCCC4)c(F)c3)cn2)C1,VYHKICCLGYURIM-UHFFFAOYSA-N
-rxn:4:218945:223083,Cc1nc(N2CCC(O)C2)ncc1-c1cncc([N+](=O)[O-])c1N1CCN(C(=O)OC(C)(C)C)CC1,NSOQTSNJBHYUNV-UHFFFAOYSA-N
-rxn:4:218950:225126,O=C(Cc1ccccc1-c1cc(F)ccc1OCC1CCCO1)N1CCN(c2cc(C(F)(F)F)ncn2)CC1,LOMKZBSQHLJNRQ-UHFFFAOYSA-N
-rxn:4:218963:225909,CCOc1ccc(-c2cnn(C)c2C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c(C(F)(F)F)c1,ZJTGYLLABCGAAQ-UHFFFAOYSA-N
-rxn:4:218972:225313,Cc1nc(C)c(C(=O)N2CCCC(COc3ncc(-c4ccc(N5CCN(C)CC5)nc4F)cn3)C2)s1,WFUYXTBNNDCCKN-UHFFFAOYSA-N
-rxn:4:218998:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2cnc(OCC3CCCN(C(=O)N4CCOCC4)C3)nc2)CC1,BBNACHBNAHAOQL-UHFFFAOYSA-N
-rxn:4:219042:225292,CC(C)Oc1ccc(-c2cn(C)nc2CN2CCN(C(=O)OC(C)(C)C)CC2C)cc1C(F)(F)F,BTEGYJBCGRLUQE-UHFFFAOYSA-N
-rxn:4:219053:225602,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cncc(-c4cc(C5(C#N)CCC5)ccc4F)c3)cn2)CC1,WMBMCUKTGXNTCB-UHFFFAOYSA-N
-rxn:4:219072:223178,CONC(=O)c1ccc(F)c(-c2cccc(-c3nnc(CC(=O)N4CCN(C5CCCCC5)CC4)o3)c2)c1,HNLBLBBTCNMUFX-UHFFFAOYSA-N
-rxn:4:219076:225805,COc1ccc(Cl)cc1C(=O)N1CCCN(c2cc(-c3ccc(-c4ccc(C(C)N5CCOCC5)s4)cc3)n[nH]2)CC1,AARINIMAOFFLEH-UHFFFAOYSA-N
-rxn:4:219078:228096,O=C(c1ccccc1-c1ccc(OCCF)cc1)N1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2)CC1,WOYCSTLMTSDCBX-UHFFFAOYSA-N
-rxn:4:219129:223507,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccccc2-c2cnc(OCC3CCCN(Cc4nc5c(s4)CCC5)C3)nc2)CC1,RPJNKIPMVRNZAZ-UHFFFAOYSA-N
-rxn:4:219182:225905,COc1ccc(-c2ccc(C(=O)N(C)OC)cc2Cl)c(C(=O)N2CCN(C(=O)c3cc4n(n3)CCCC4)CC2)c1,VHFLCASSOIFRRF-UHFFFAOYSA-N
-rxn:4:219182:225975,COc1ccc(-c2ccnc(N3CCOCC3)c2Cl)c(C(=O)N2CCN(C(=O)c3cc4n(n3)CCCC4)CC2)c1,KXCPQYNHLBSLBG-UHFFFAOYSA-N
-rxn:4:219203:224056,CCC[C@H]1CC[C@H](c2ccc(-c3ccc4c(c3)C(c3ccccn3)=N[C@@H](CCC(=O)OC)c3ncc(C)n3-4)c(F)c2)CC1,ABKAOLARPNDFRS-CAHKVJEUSA-N
-rxn:4:219207:222562,O=C(NCc1cccc(Cl)c1)c1cccc(-c2ccc(-c3csc(N4CCN(CCN5C(=O)C6C7C=CC(C7)C6C5=O)CC4)n3)cc2)c1,YHEZVFLKTHFTTG-UHFFFAOYSA-N
-rxn:4:219207:224658,CC(=O)N1CCN(c2ccc(-c3ccc(-c4csc(N5CCN(CCN6C(=O)C7C8C=CC(C8)C7C6=O)CC5)n4)cc3)cc2)CC1,MXUAYPLAAKJPOJ-UHFFFAOYSA-N
-rxn:4:219311:223522,CC(C)(C)[Si](C)(C)OC1CCN(c2cc(F)cc(-c3ccc(C(=O)N4CC(c5nc(-c6ccncc6)no5)C4)o3)c2)CC1,BZQKOMFLCYKPLL-UHFFFAOYSA-N
-rxn:4:219354:224325,CN(C1CCN(c2ncc(-c3ccc(C4=CCN(S(C)(=O)=O)CC4)cc3)cn2)C1)S(=O)(=O)C1CC1,ROVDVNAEFQIBEX-UHFFFAOYSA-N
-rxn:4:219374:223666,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cccc(COc4ccc(OC(F)(F)F)cc4)c3)nn2)CC1,CUXYMGWWMVXCLR-UHFFFAOYSA-N
-rxn:4:219384:223776,CC(C)(C)OC(=O)N1CCOc2ccc(-c3cnc(N4CCC(COc5ccncc5Cl)CC4)nc3)cc2C1,HJLIJOFPGVQBHX-UHFFFAOYSA-N
-rxn:4:219392:223522,CC(C)(C)[Si](C)(C)OC1CCN(c2cc(F)cc(-c3ccc(C(=O)N4CC(n5nc(-c6ccncc6)ccc5=O)C4)o3)c2)CC1,IHKOGQFYRUYSIC-UHFFFAOYSA-N
-rxn:4:219401:223179,CONC(=O)c1cc(-c2nnc(N3CCCN(C(=O)OC(C)(C)C)CC3)s2)ccc1F,ZOECQSGWADFYQR-UHFFFAOYSA-N
-rxn:4:219405:223945,CC(C)(C)OC(=O)N1CCN(c2ccnc(-c3ccc(OCCCN4CCOCC4)c(F)c3)n2)CC1,PXEYCRNDXPMUJI-UHFFFAOYSA-N
-rxn:4:219410:226844,O=C(c1cc(-c2cnc(OC3CCN(S(=O)(=O)N4CCOCC4)C3)nc2)ccn1)C(F)(F)F,SZSFXBVDHCMQTF-UHFFFAOYSA-N
-rxn:4:219473:223837,COc1nc(N2CCOC(C(=O)N3CCCC3)C2)ncc1-c1ccc(Oc2ccc(OC(F)(F)F)cc2)nc1,YTIVCHNSJFKBQX-UHFFFAOYSA-N
-rxn:4:219498:225093,CCCOc1c(Cl)cc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)nc2OC)cc1OCC,CQEZBJSIOQNDOL-UHFFFAOYSA-N
-rxn:4:219499:227496,CCN(C)c1cc(F)c(-c2cnc(N3CCCC(C(=O)N4CCOCC4)C3)c(C#N)c2)cn1,PFGWECZMCBPYPR-UHFFFAOYSA-N
-rxn:4:219500:224997,N#Cc1cc(-c2ccc(C(=O)N3CCCCC3)cc2)cnc1N1CCCC(C(=O)N2CCSCC2)C1,FJSVHLWIOKVISD-UHFFFAOYSA-N
-rxn:4:219507:226844,Cn1c(C(F)(F)F)nn(C2CCN(C(=O)c3ccccc3-c3ccnc(C(=O)C(F)(F)F)c3)CC2)c1=O,NYYKSCJQCIJJLI-UHFFFAOYSA-N
-rxn:4:219532:223176,COc1nc(N2CCCC(C(=O)N3CCSCC3)C2)ncc1-c1cccc(CNS(C)(=O)=O)c1,CGLXWCGFBBNZIX-UHFFFAOYSA-N
-rxn:4:219536:226844,Cc1nc(S(=O)(=O)N2CCCN(C(=O)c3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)o3)CC2)cn1C,LKTSVDUFUJOMOC-UHFFFAOYSA-N
-rxn:4:219540:223526,Cc1cc(N(C)C2CCN(C(=O)c3ccccc3-c3ccc(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)cc3)CC2)ncn1,XHMPGXHIRMZTRZ-UHFFFAOYSA-N
-rxn:4:219559:224976,Cc1nn(C)c(C)c1S(=O)(=O)N1CCCN(C(=O)c2ccc(-c3cccc(N4CCCCC4)c3C#N)o2)CC1,MZIVEUDKQHQZOT-UHFFFAOYSA-N
-rxn:4:219562:226844,O=C(c1cncc(-c2ccnc(C(=O)C(F)(F)F)c2)c1)N1CCC(N2CC(=O)N(c3ccccc3)C2=O)CC1,DIDPBBOQOQZSJS-UHFFFAOYSA-N
-rxn:4:219602:223831,COc1ccc(-c2ccc(OC3CCN(C(=O)c4ccc5nsnc5c4)C3)nc2)cc1S(=O)(=O)N1CCC(C)CC1,OALBMOXZWGPEBX-UHFFFAOYSA-N
-rxn:4:219627:223179,CONC(=O)c1cc(-c2nnc(N3CC4CCC(C3)N4C(=O)OC(C)(C)C)s2)ccc1F,YTXJRZQNMPAMNT-UHFFFAOYSA-N
-rxn:4:219653:222889,CC(C)(C)OC(=O)N1CCN(c2nc3ccc(-c4cc(F)cc(CN5CCNCC5)c4)nc3s2)CC1,MUKYURWMSCXBCX-UHFFFAOYSA-N
-rxn:4:219654:224773,Cc1cc(-c2cc3c(N4CCN(C(=O)OC(C)(C)C)CC4)ncnc3s2)ccc1S(=O)(=O)N1CCCC1,CKUVUEJSTXVBDS-UHFFFAOYSA-N
-rxn:4:219666:223637,CC(C)(C)OC(=O)N1CCCC(c2ccccc2-c2cccc(C(=O)N3CCN(S(=O)(=O)c4cccc5nonc45)CC3)c2)C1,KRXLVCXGZAZZIR-UHFFFAOYSA-N
-rxn:4:219687:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2ccc3nnn(C4CCN(C(=O)OC(C)(C)C)CC4)c3c2)cc1,SBZZZEDXHUZFJM-UHFFFAOYSA-N
-rxn:4:219710:223179,CONC(=O)c1cc(-c2ccc(N3N=NC4C(=O)N(c5cc(OC)cc(OC)c5)C(=O)C43)cc2C)ccc1F,RPGRJFKSELIYTO-UHFFFAOYSA-N
-rxn:4:219743:223952,CC(C)c1sc(-c2ccc(OCCN3CCN(C)CC3)c(Cl)c2)nc1C(=O)N1CCC(c2nc3ccccc3[nH]2)CC1,VXOBLZPTPAHKAG-UHFFFAOYSA-N
-rxn:4:219750:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(OC)cc3C(=O)N3CCCc4cnc(N5CCOCC5)nc43)c2)CC1,LWJLSADPGCNXEN-UHFFFAOYSA-N
-rxn:4:219769:223179,CONC(=O)c1cc(-c2ccc(C3Cn4nc(C(=O)N5CCN(C(C)C)CC5)cc4CO3)cc2)ccc1F,NTJICQSARWRYCQ-UHFFFAOYSA-N
-rxn:4:219769:223279,CC(C)N1CCN(C(=O)c2cc3n(n2)CC(c2ccc(-c4cnc(C5CCCN5)nc4)cc2)OC3)CC1,ULKVILCZIVLURS-UHFFFAOYSA-N
-rxn:4:219780:225518,CCCCCOc1ncc(C)cc1-c1cc2c(cc1C(F)F)N(c1nn(C3CCOCC3)c3c1CN(C(C)=O)CC3)CCC2,XZJRWOUSSBHJRS-UHFFFAOYSA-N
-rxn:4:219904:224392,Cc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1cnc(C2CCN(S(=O)(=O)N(C)C)CC2)cn1,ZYKATQNHLSRWET-UHFFFAOYSA-N
-rxn:4:219904:224752,Cc1cc(S(=O)(=O)N2CCCC2)ccc1-c1cnc(C2CCN(S(=O)(=O)N(C)C)CC2)cn1,KFLPEQUYVXOBLZ-UHFFFAOYSA-N
-rxn:4:219904:224753,Cc1ccc(S(=O)(=O)N2CCCC2)cc1-c1cnc(C2CCN(S(=O)(=O)N(C)C)CC2)cn1,HQPLWLZEMNEQLQ-UHFFFAOYSA-N
-rxn:4:219975:224196,CCN1CCN(Cc2cc(F)cc(-c3cnc(N4CCOC(C(=O)N5CCCCC5)C4)nc3)c2)CC1,AJYHGPPRRDESRC-UHFFFAOYSA-N
-rxn:4:219998:224173,O=C(C1CCN(c2ncc(-c3ccc(OCCOc4ccncc4)cc3)cn2)CC1)N1CCC(F)(F)CC1,HBAMTQNCXNDQKI-UHFFFAOYSA-N
-rxn:4:220049:223670,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2cn(CCN3CCOCC3)c3ncnc(Cl)c23)CC1,VHEXZUFXDDWJGC-UHFFFAOYSA-N
-rxn:4:220118:223776,CC(C)(C)OC(=O)N1CCOc2ccc(-c3ccc4nc(OC5CCN(c6ncc(F)cn6)CC5)sc4c3)cc2C1,HRBJNSBVIBIYRH-UHFFFAOYSA-N
-rxn:4:220159:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3ccc4nc(N5CCC(c6nnc(C7CC7)o6)CC5)sc4c3)c2)CC1,XKXRKNMIQXPEGO-UHFFFAOYSA-N
-rxn:4:220204:224625,CC(C)Oc1cc(-c2ccc3ncnc(N4CCOC(C(=O)N5CCOCC5)C4)c3c2)cc(Cl)c1OC(C)C,BHQLKUBKBUVGGF-UHFFFAOYSA-N
-rxn:4:220204:225055,CC1CCCN(c2ccc(-c3ccc4ncnc(N5CCOC(C(=O)N6CCOCC6)C5)c4c3)c(Cl)c2)C1,RRHMQQPAAOMMIX-UHFFFAOYSA-N
-rxn:4:220205:225280,COc1nc(OC)c([Si](C)(C)C)cc1-c1ccc2nc(N3CCOC(C(=O)N4CCOCC4)C3)ncc2c1,LGQCTTDYQDIJDB-UHFFFAOYSA-N
-rxn:4:220209:223103,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccccc2S(=O)(=O)N2CCCc3cnc(N4CCOCC4)nc32)s1,MXYKCONCFDXQKN-UHFFFAOYSA-N
-rxn:4:220257:222759,Cc1cc(NC(=O)OC(C)(C)C)cc(-c2ccc3c(c2)nn2c(C)c(CC(=O)N4CCOCC4)c(C)nc32)c1,SBHJXDNJFKGSFJ-UHFFFAOYSA-N
-rxn:4:220398:224250,CC1CCCCN1C(=O)c1ccc(F)c(-c2cnc(N3CCN(C)CC3)c([N+](=O)[O-])c2)c1,FEUYQTBBIVYAQZ-UHFFFAOYSA-N
-rxn:4:220414:224796,Cc1c(-c2cncc(S(=O)(=O)OCC(C)(C)C)c2)cnc(N2CCN(C)CC2)c1[N+](=O)[O-],OUCSGVGKZWEWBA-UHFFFAOYSA-N
-rxn:4:220533:224458,CC1CCN(C(C)c2ccc(-c3cnc(N4CC(N5CC6CCCC6C5)C4)nc3)cc2)CC1,AZUPUPANJZSJSW-UHFFFAOYSA-N
-rxn:4:220540:224356,Cc1cc(C)cc(N2C(=O)C3N=NN(c4ccc(-c5cc6sc(Cl)cc6n5C(=O)OC(C)(C)C)cc4)C3C2=O)c1,FLXONAUYUBELTM-UHFFFAOYSA-N
-rxn:4:220936:223595,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cn4ccnc4c(N4CCOCC4)n3)cc2F)CC1,HDVFBOVJLIMMHK-UHFFFAOYSA-N
-rxn:4:221112:226691,CCOc1ccc(-c2cnc(Cl)c(N3CCCC3)c2)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N(C)C)n2)CC1,OMLMAQRPKSYEBM-UHFFFAOYSA-N
-rxn:4:221113:223279,O=C(Cc1ccccc1-c1cnc(C2CCCN2)nc1)N1CCN(Cc2nncn2C2CCCCC2)CC1,GRVWQHALLWKHOF-UHFFFAOYSA-N
-rxn:4:221121:223179,CONC(=O)c1cc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)ccc1F,YIILNVRNTIPBDK-UHFFFAOYSA-N
-rxn:4:221128:225201,CCOC(=O)C1CCCN(c2nc3c(S(=O)(=O)c4ccc(-c5ccc(OC6CCCC6)c(F)c5F)cc4)nnn3c3ccccc23)C1,HGNWOJORADJZDL-UHFFFAOYSA-N
-rxn:4:221145:224325,CN(C1CN(c2nccnc2C#N)C1)S(=O)(=O)c1ccccc1-c1ccc(C2=CCN(S(C)(=O)=O)CC2)cc1,QHINQCNVISVADC-UHFFFAOYSA-N
-rxn:4:221152:222634,Cc1nnsc1C(=O)N1CCCC(COc2ncc(-c3ccc(OCCNC4CCCC4)c(F)c3)cn2)C1,FLFOECNEKDRHSX-UHFFFAOYSA-N
-rxn:4:221152:224592,Cc1nnsc1C(=O)N1CCCC(COc2ncc(-c3cc(C4(C#N)CCCCC4)ccc3F)cn2)C1,ZLVDLXQOODJCTQ-UHFFFAOYSA-N
-rxn:4:221175:224198,CCN1CCN(Cc2ccc(-c3cnc(OC4CCN(C(=O)N5CCN(CC)C(=O)C5=O)C4)nc3)c(F)c2)CC1,XHVHVWNGZXZKFF-UHFFFAOYSA-N
-rxn:4:221175:225050,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4cc(F)cc(N5CCC(C)CC5)c4)cn3)C2)C(=O)C1=O,AZESLGROUZVCJQ-UHFFFAOYSA-N
-rxn:4:221175:227102,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4cc(C(C)(C)C)ccc4F)cn3)C2)C(=O)C1=O,SWLFRLKDCJCFKX-UHFFFAOYSA-N
-rxn:4:221175:227367,CCOc1cc(Cl)c(-c2cnc(OC3CCN(C(=O)N4CCN(CC)C(=O)C4=O)C3)nc2)cc1C,MGGVTIBTJZOCCL-UHFFFAOYSA-N
-rxn:4:221175:228900,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4cc(Cl)ncc4OC)cn3)C2)C(=O)C1=O,UUYYMQZEUPDHMW-UHFFFAOYSA-N
-rxn:4:221175:229170,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4cnc(Cl)nc4C)cn3)C2)C(=O)C1=O,IWFGGRUZMPSCHW-UHFFFAOYSA-N
-rxn:4:221181:224243,Cc1cc(C(=O)N2CCCC(COc3ncc(-c4cc(F)cc(C(=O)N5CCCCC5C)c4)cn3)C2)nn1C,TYOUUIRAXQLGJZ-UHFFFAOYSA-N
-rxn:4:221249:222889,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc4c(-c5cc(F)cc(CN6CCNCC6)c5)cnn4c3)cc2)CC1,CYCGYXCNEVZSNI-UHFFFAOYSA-N
-rxn:4:221249:223003,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc4c(-c5ccc(Cl)c(C6CCNCC6)c5)cnn4c3)cc2)CC1,CKXNMWLAMXLCNH-UHFFFAOYSA-N
-rxn:4:221249:223006,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc4c(-c5ccc(F)c(C6CCNCC6)c5)cnn4c3)cc2)CC1,ZCNCYEHWGGGOES-UHFFFAOYSA-N
-rxn:4:221249:223007,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc4c(-c5cc(F)cc(C6CCNCC6)c5)cnn4c3)cc2)CC1,FHMVFCJYSVDRFW-UHFFFAOYSA-N
-rxn:4:221249:225171,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc4c(-c5cc(F)cc(CN6CCOCC6)c5)cnn4c3)cc2)CC1,BEEXIUMZRHAIGD-UHFFFAOYSA-N
-rxn:4:221249:225187,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc4c(-c5cc(Cl)ccc5CN5CCOCC5)cnn4c3)cc2)CC1,FAFDQVNZPBESDG-UHFFFAOYSA-N
-rxn:4:221249:225868,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc4c(-c5ccc(N6CCOCC6)c(F)c5)cnn4c3)cc2)CC1,NDWLWXKRPAYLQP-UHFFFAOYSA-N
-rxn:4:221249:225869,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc4c(-c5ccc(N6CCOCC6)c(Cl)c5)cnn4c3)cc2)CC1,OMKQMHXWOBUZCE-UHFFFAOYSA-N
-rxn:4:221249:225870,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc4c(-c5cc(F)cc(N6CCOCC6)c5)cnn4c3)cc2)CC1,OULZXUIVAZZKMA-UHFFFAOYSA-N
-rxn:4:221249:225875,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc4c(-c5ccc(N6CCOCC6)cc5Cl)cnn4c3)cc2)CC1,DKPXAFNQZIRZCC-UHFFFAOYSA-N
-rxn:4:221249:225876,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc4c(-c5cc(Cl)ccc5N5CCOCC5)cnn4c3)cc2)CC1,ZUTLTOLFKHWSIZ-UHFFFAOYSA-N
-rxn:4:221249:225878,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc4c(-c5cc(Cl)cc(N6CCOCC6)c5)cnn4c3)cc2)CC1,YEVHIMVOPPTTBG-UHFFFAOYSA-N
-rxn:4:221249:225976,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc4c(-c5ccnc(N6CCOCC6)c5F)cnn4c3)cc2)CC1,UITBHRLIHOOWLY-UHFFFAOYSA-N
-rxn:4:221249:225978,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc4c(-c5ccc(N6CCOCC6)nc5F)cnn4c3)cc2)CC1,FTJPMUMPJXOBGM-UHFFFAOYSA-N
-rxn:4:221351:223904,CC(C)(C)OC(=O)N1CC(c2cccc(-c3cnc(N4CC(Cn5nc(C6CC6)ccc5=O)C4)nc3)c2)C1,DBEQBVYTJAQELN-UHFFFAOYSA-N
-rxn:4:221398:223179,CONC(=O)c1cc(-c2cnc(OC3CCN(C(=O)N4CCN(C)CC4)CC3)nc2)ccc1F,MHPCWRBPNWWXAM-UHFFFAOYSA-N
-rxn:4:221398:226417,CN1CCN(C(=O)N2CCC(Oc3ncc(-c4cc(Cl)cc(N5CCCC5)c4)cn3)CC2)CC1,MFUSDMVKYXPDIH-UHFFFAOYSA-N
-rxn:4:221398:226844,CN1CCN(C(=O)N2CCC(Oc3ncc(-c4ccnc(C(=O)C(F)(F)F)c4)cn3)CC2)CC1,LYAQWKQQAOJSPC-UHFFFAOYSA-N
-rxn:4:221411:222838,Cn1nc(C2CCN(C(=O)c3cncc(-c4ccc(CNC(=O)C(C)(C)C)cc4)c3)CC2)n(C2CC2)c1=O,FVCTXFTYJMQMBF-UHFFFAOYSA-N
-rxn:4:221413:223816,C[Si](C)(C)CCOCn1c(-c2ccc(C(=O)N3CCN(c4cc(N5CCOCC5)ncn4)CC3)o2)cc2c(Cl)ccnc21,QRJCRYYRTZCIOP-UHFFFAOYSA-N
-rxn:4:221413:224672,CCN1CCN(c2ccc(-c3ccc(C(=O)N4CCN(c5cc(N6CCOCC6)ncn5)CC4)o3)c(Cl)c2)CC1,ZOYJRWSBYUHWNO-UHFFFAOYSA-N
-rxn:4:221414:226844,Cc1nc(S(=O)(=O)N2CCCN(C(=O)c3cncc(-c4ccnc(C(=O)C(F)(F)F)c4)c3)CC2)cn1C,UQRMDBUXGGKRSC-UHFFFAOYSA-N
-rxn:4:221415:222920,Cc1cc(N(C)C)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(S(=O)(=O)NC5CC5)cc4C)cc3)CC2)n1,KJDXESCESIECGK-UHFFFAOYSA-N
-rxn:4:221420:223881,Cc1ccc2cc(-c3ccccc3C(=O)N3CCN(c4ccc(N5CCOCC5)nn4)CC3)n(C(=O)OC(C)(C)C)c2c1,MBHUDGHDHOHIHD-UHFFFAOYSA-N
-rxn:4:221420:226844,O=C(c1ccccc1-c1ccnc(C(=O)C(F)(F)F)c1)N1CCN(c2ccc(N3CCOCC3)nn2)CC1,UVFKOFQIDLALRG-UHFFFAOYSA-N
-rxn:4:221422:226844,O=C(c1cc(-c2ccnc(C(=O)C(F)(F)F)c2)ccc1Cl)N1CCN(c2ccc(N3CCOCC3)nn2)CC1,IUCSWQRTRMQNLY-UHFFFAOYSA-N
-rxn:4:221423:222984,OC1CCN(Cc2ccc(-c3ccccc3CN3CCN(c4ccc(N5CCOCC5)nn4)CC3)cc2)C1,WJXDNIQGMLRKNP-UHFFFAOYSA-N
-rxn:4:221431:223153,CCNC(=O)c1cc(-c2ccccc2C(=O)N2CCN(c3nc(C)cc(N4CCCC4)n3)CC2)ccc1Cl,SGBBVLNDMNOJLP-UHFFFAOYSA-N
-rxn:4:221437:226844,O=C(c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)o1)N1CCN(c2ccc(N3CCCCCC3)nn2)CC1,JTJLQPQUDZBUEY-UHFFFAOYSA-N
-rxn:4:221438:223279,CC1CCCCN1c1ccc(N2CCN(C(=O)c3ccc(-c4cnc(C5CCCN5)nc4)o3)CC2)nn1,WQXWTRXTTOSKIS-UHFFFAOYSA-N
-rxn:4:221439:223279,O=C(c1cc(-c2cnc(C3CCCN3)nc2)ccc1Cl)N1CCN(c2ccc(N3CCCCC3)nn2)CC1,AMMWMVJQVUGQDC-UHFFFAOYSA-N
-rxn:4:221440:226844,Cc1cc(N2CCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3)CC2)n1,PCOIIZBWHDYYPK-UHFFFAOYSA-N
-rxn:4:221446:223179,CONC(=O)c1cc(-c2ccc(CN3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)ccc1F,SHPUVUZQAOGVHP-UHFFFAOYSA-N
-rxn:4:221447:226844,Cc1cc(N2CCN(Cc3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3)CC2)nc(N2CCOCC2)n1,XBLJZTGPPZKYOG-UHFFFAOYSA-N
-rxn:4:221448:223179,CONC(=O)c1cc(-c2ccc(CN3CCN(c4cc(N5CCOCC5)nc(C)n4)CC3)cc2)ccc1F,NRSKTWDIOJNPOB-UHFFFAOYSA-N
-rxn:4:221449:223170,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cnc(C5CCCNC5)nc4)cc3)CC2)n1,IOODIXBPFWUVLP-UHFFFAOYSA-N
-rxn:4:221453:223279,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4cnc(C5CCCN5)nc4)cc3)CC2)n1,GOUFQSKRHWCCOJ-UHFFFAOYSA-N
-rxn:4:221453:224572,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4ccc(N5CCCC(C)C5)cc4C#N)cc3)CC2)n1,XUIJHROXWYJZEL-UHFFFAOYSA-N
-rxn:4:221454:224790,CCCOc1cc(-c2ccccc2C(=O)N2CCN(c3ccc(N4CCCCCC4)nn3)CC2)ccc1OC(F)(F)F,CYLQCIDPYAPEAH-UHFFFAOYSA-N
-rxn:4:221455:225198,O=C(c1ccc(-c2c(F)cccc2OC2CCCCO2)cc1)N1CCN(c2ccc(N3CCCCCC3)nn2)CC1,XGBQXDBBZDKAFA-UHFFFAOYSA-N
-rxn:4:221456:223215,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc5c(c4)NC(=O)CC5)cc3)CC2)n1,CXKYFYDRCDZTPZ-UHFFFAOYSA-N
-rxn:4:221456:223220,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(NCC5CC5)nc4)cc3)CC2)n1,GUTMQQYTDRXYQK-UHFFFAOYSA-N
-rxn:4:221494:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cncc(C(=O)N(C)C4CN(c5cc6c(nn5)CCC6)C4)c3)c(F)c2)CC1,FUNMKTOXDAEFPH-RQNOJGIXSA-N
-rxn:4:221572:223690,COC(=O)c1cc(-c2ccc(N3CC(C)Cn4c3nc3c4c(=O)n(CCC(C)C)c(=O)n3C)cc2)cn1S(=O)(=O)c1ccc(C)cc1,IYCPBQRSFCALAN-UHFFFAOYSA-N
-rxn:4:221626:223573,Cc1cnc(OC2CCN(c3ncc(-c4ccc(CN5CCN(C(=O)OC(C)(C)C)CC5)cc4)cn3)CC2)nc1,GCFKZJWMQIGXEA-UHFFFAOYSA-N
-rxn:4:221645:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3cnc(N4CCC(n5nc(C(C)(C)C)ccc5=O)CC4)nc3)cc2)CC1,IJJILGOHIYPVDL-UHFFFAOYSA-N
-rxn:4:221677:223608,O=S(=O)(c1cc(-c2cnccc2OC2CCN(c3ncnc4ncccc34)C2)ccc1OC(F)(F)F)N1CCOCC1,LFLJHFFPJKYPOT-UHFFFAOYSA-N
-rxn:4:221702:224566,COC(=O)C1(c2ccc(-c3nc4c(c(=O)n(C)c(=O)n4C)n3CCN3CCOCC3)cc2)CCCC1,MTZKGZUVBPHPKX-UHFFFAOYSA-N
-rxn:4:221736:224252,Cc1nc2c(c(N3CC4CN(C(=O)c5cncc(-c6ccc(C(=O)N7CCCC(C)C7)c(F)c6)c5)CC4C3)n1)CCC2,YDCWUHKYDDMGLT-UHFFFAOYSA-N
-rxn:4:221736:226844,Cc1nc2c(c(N3CC4CN(C(=O)c5cncc(-c6ccnc(C(=O)C(F)(F)F)c6)c5)CC4C3)n1)CCC2,ZQKQNUPRGGIOOA-UHFFFAOYSA-N
-rxn:4:221754:223697,Cc1cccc(N2CCn3c2nc2c3c(=O)n(Cc3ccc(-c4ccc(S(=O)(=O)N5CCCCC5)cc4C(F)(F)F)cc3)c(=O)n2C)c1,DCUNGYYASVYXLK-UHFFFAOYSA-N
-rxn:4:221776:224413,COc1cc(C(F)(F)F)cc(C(F)(F)F)c1-c1ccc(N2CC(C)Cn3c2nc2c3c(=O)n(Cc3ccccc3Cl)c(=O)n2C)cc1,XAMVWNKRGYUZKW-UHFFFAOYSA-N
-rxn:4:221836:225209,Cc1nc(N2CCCCC2C)ncc1-c1cnc(N2CCCN(C3=NS(=O)(=O)c4ccccc43)CC2)nc1,UNUUEZRTXKTRLL-UHFFFAOYSA-N
-rxn:4:221920:223279,CCOc1ccc(-c2cnc(C3CCCN3)nc2)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N3CCN(C)CC3)n2)CC1,AGNVCLGXFUOXCC-UHFFFAOYSA-N
-rxn:4:221926:223179,CCOc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5cccc(-c6ccc(F)c(C(=O)NOC)c6)c5)no4)C3C2=O)cc1,CRBQBHFMCIGGMD-UHFFFAOYSA-N
-rxn:4:221926:226844,CCOc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5cccc(-c6ccnc(C(=O)C(F)(F)F)c6)c5)no4)C3C2=O)cc1,BBCLYMNXSIKMGR-UHFFFAOYSA-N
-rxn:4:221929:223179,CONC(=O)c1cc(-c2ccc(Cn3c(=O)c4c(nc5n(CCCN6CCOCC6)c(C)cn45)n(C)c3=O)cc2)ccc1F,QLGHNQTZTYGRDI-UHFFFAOYSA-N
-rxn:4:221929:225203,Cc1cc(C2CC2)c(C(F)(F)F)cc1-c1ccc(Cn2c(=O)c3c(nc4n(CCCN5CCOCC5)c(C)cn34)n(C)c2=O)cc1,SZGFGJGTOYXKIF-UHFFFAOYSA-N
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-rxn:4:221965:222541,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(C(=O)NCCN6CCCCC6)cc5)cc4)CC3)nn2)CC1,FNDOKPPOEHXOGR-UHFFFAOYSA-N
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-rxn:4:221965:224376,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cccc(S(=O)(=O)N6CCN(C)CC6)c5)cc4)CC3)nn2)CC1,PJELSAXGEZXQCG-UHFFFAOYSA-N
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-rxn:4:221965:228143,CCCc1ncc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCN(CC)CC5)nn4)CC3)cc2)cc1Cl,LNBNLLZCLXRBDF-UHFFFAOYSA-N
-rxn:4:221965:228970,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(C(F)(F)F)s5)cc4)CC3)nn2)CC1,PTDMAKSJONPTKF-UHFFFAOYSA-N
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-rxn:4:222062:222628,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(C5CCC5)nc(C5CCCNC5)c4)cc3)CC2)n1,LNPPMLWXCVYRPX-UHFFFAOYSA-N
-rxn:4:222062:222899,CCCCNS(=O)(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCN(C)CC5)n4)CC3)cc2)cc1,ABSKDPHJHFABAU-UHFFFAOYSA-N
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-rxn:4:222062:224152,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(-c5cncnc5)cc(C(C)(C)C)c4)cc3)CC2)n1,DXJKKVZOLLXITQ-UHFFFAOYSA-N
-rxn:4:222062:225634,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cnc(N5CCCCC5)c(C)c4)cc3)CC2)n1,HEAZNFMKKRQMQQ-UHFFFAOYSA-N
-rxn:4:222062:227278,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C5(C#N)CC5)nc4)cc3)CC2)n1,SKPBCQYDNKBMAL-UHFFFAOYSA-N
-rxn:4:222107:222705,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5cccc(-c6cc(C7CCNCC7)cc(C(F)(F)F)c6)c5)no4)C3C2=O)cc1F,QCPAKXSYZDWJHR-UHFFFAOYSA-N
-rxn:4:222161:223650,Cn1nc(C2CCN(c3ncc(-c4ccccc4N4CCN(C(=O)OC(C)(C)C)CC4)cn3)CC2)n(C2CC2)c1=O,QJCOILPNRYDROB-UHFFFAOYSA-N
-rxn:4:222193:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3ccc4c(C(=O)N5Cc6cnc(N7CCOCC7)nc6C5)n(C)nc4c3)c2)CC1,LINFZXBBEIADJC-UHFFFAOYSA-N
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-rxn:4:222366:223492,Cc1cc(-c2cnc(N(C)C3CN(c4ccc5nnc(C6CCC6)n5n4)C3)nc2)ccc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,FSQLIBFVXMUWEO-UHFFFAOYSA-N
-rxn:4:222373:223789,COC(=O)c1cc(O[Si](C)(C)C(C)(C)C)cc(-c2cnc(N3CCN(c4cc(-n5nc(C)cc5C)ncn4)CC3)nc2)c1,TWVDTKNUDAKIGK-UHFFFAOYSA-N
-rxn:4:222442:219867,CCN1CCN(c2ncc(-c3ccc(S(=O)(=O)NC4CCCC4)c4ccccc34)cc2[N+](=O)[O-])CC1,NHIKHPVCNLNKTM-UHFFFAOYSA-N
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-rxn:4:222543:174656,CC(C)[Si](C#Cc1cccc2cccc(-c3ccc(C4(NC(=O)OC(C)(C)C)CC4)cc3)c12)(C(C)C)C(C)C,PQALMKUVOUALOH-UHFFFAOYSA-N
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-rxn:4:222600:184093,CC(C)c1ccc(CN(C(=O)c2ccc(-c3ccc4nc(NC(=O)OC(C)(C)C)sc4c3)cc2)C2CCS(=O)(=O)C2)cc1,XLHIUGVMJWGSFT-UHFFFAOYSA-N
-rxn:4:222782:194645,Cc1cc(-c2ccc3c(c2)C(=NS(=O)C(C)(C)C)CCO3)cnc1NC(=O)OC(C)(C)C,DQCUHOLKMKGMRX-UHFFFAOYSA-N
-rxn:4:222853:185255,COc1ccccc1C(=O)N(c1ccc(-c2ccc(CN3CCC(O)CC3)cc2)cc1)C1C=CS(=O)(=O)C1,ZZNPTRMAUPLQCT-UHFFFAOYSA-N
-rxn:4:223060:214012,Cn1ccnc1S(=O)(=O)C1CCN(S(=O)(=O)c2ccccc2-c2cc(Cl)nc(C3CCNCC3)c2)CC1,ACBRMBCFISFFNN-UHFFFAOYSA-N
-rxn:4:223080:184067,CC(C)NS(=O)(=O)c1ccc(-c2ccc(CN(C(=O)OC(C)(C)C)C3CCC(F)(F)CC3)cc2)cc1,BPMWHFWWQDPXLZ-UHFFFAOYSA-N
-rxn:4:223080:187023,CC(C)NS(=O)(=O)c1ccc(-c2cc(OC(F)F)cc(C(=O)N3CCC(F)(F)CC3)c2)cc1,YZQXRERSPJMDCG-UHFFFAOYSA-N
-rxn:4:223080:187444,CC(C)NS(=O)(=O)c1ccc(-c2ccc(C3CCCN3C(=O)OC(C)(C)C)c(F)c2)cc1,DIGJTLAZJJWGFI-UHFFFAOYSA-N
-rxn:4:223102:187575,CC(C)(C)NS(=O)(=O)c1sccc1-c1cccc(C2CCCN(C(=O)OC(C)(C)C)C2)c1,OJTGZSYEEZECJD-UHFFFAOYSA-N
-rxn:4:223570:178293,COC(=O)C1(c2ccccc2-c2c(F)ncc3c2ccn3[Si](C(C)C)(C(C)C)C(C)C)CCC(=O)CC1,SNNIAZBIAVRWBI-UHFFFAOYSA-N
-rxn:4:223570:184169,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3cn(C(=O)OC(C)(C)C)c4cccc(OCc5ccccc5)c34)c(F)ncc21,ZXKJPQZYHPBACE-UHFFFAOYSA-N
-rxn:4:223570:207732,Cc1ccc(N2C=C(C#N)S(=O)(=O)c3ccc(F)cc32)c(-c2c(F)ncc3c2ccn3[Si](C(C)C)(C(C)C)C(C)C)c1,LYVMXMJJGBNXFM-UHFFFAOYSA-N
-rxn:4:223580:199500,COC(=O)c1ccc2c(c1)cc(-c1cnc(C(C(=O)OC)C(=O)OC(C)(C)C)nc1)n2C(=O)OC(C)(C)C,RVRLOHOEPTWLFJ-UHFFFAOYSA-N
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-rxn:4:223581:187353,COC(=O)c1cccc2cc(-c3coc([Si](C(C)C)(C(C)C)C(C)C)n3)n(C(=O)OC(C)(C)C)c12,JGWXHTFWXCZASH-UHFFFAOYSA-N
-rxn:5:176860:223061:223065,COC(=O)c1c(-c2cc(C3CCNCC3)ncc2F)ccc(OC)c1-c1ccc(N2CCNCC2)cc1F,LYTAAZZUARFCAG-UHFFFAOYSA-N
-rxn:5:176865:222405:225808,COC(=O)c1cc(-c2cc(OC3CCCC3)ncc2F)cc(OC)c1-c1cccc(C2NC(=O)NC2=O)c1,NMBRGUCSCHVFBO-UHFFFAOYSA-N
-rxn:5:176870:225498:225810,COC(=O)c1c(OC)cc(-c2cc(C3CCCCC3)ccc2F)cc1-c1ccc(OC)cc1C1OCCO1,NPOJHZMCAOWXKK-UHFFFAOYSA-N
-rxn:5:177185:225976:225784,CC(C)OC(=O)c1cc(-c2ccnc(N3CCOCC3)c2F)ccc1-c1ccc(CN2CCOCC2)nc1,NXJMKFKABIXQLX-UHFFFAOYSA-N
-rxn:5:177190:225657:225805,CCS(=O)(=O)Cc1ccc(-c2ccc(C(C)N3CCOCC3)s2)c(-c2ccc(N3CCOCC3)c(C)c2)c1,ZOSRFQGPKGRLAK-UHFFFAOYSA-N
-rxn:5:177190:226571:225805,CCS(=O)(=O)Cc1ccc(-c2ccc(C(C)N3CCOCC3)s2)c(-c2cnn(CC3CCOCC3)c2)c1,LRBIBLBYKXTOMG-UHFFFAOYSA-N
-rxn:5:177190:226645:223054,CCS(=O)(=O)Cc1ccc(-c2ccc(C(C)N3CCC(O)C3)s2)c(-c2ccnc(N3CCOCC3)c2)c1,XUXGNRBADUYSNN-UHFFFAOYSA-N
-rxn:5:177190:226661:223010,CCS(=O)(=O)Cc1ccc(-c2ccc(C3(O)CCOCC3)cc2)c(-c2cc(N3CCN(C)CC3)cs2)c1,HETDXKRSHOYPLJ-UHFFFAOYSA-N
-rxn:5:177190:226898:226571,CCS(=O)(=O)Cc1ccc(-c2cnn(CC3CCOCC3)c2)c(-c2cn(S(=O)(=O)N(C)C)nc2C)c1,QGDYCVIMUWQJPO-UHFFFAOYSA-N
-rxn:5:177373:225924:223138,Cc1cc(S(=O)(=O)N(C)C)ccc1-c1cc(-c2ccnc(C3CCNCC3)c2)ccc1OCC1OCCO1,DCXOONNNYQAPAW-UHFFFAOYSA-N
-rxn:5:177449:222960:223010,COc1cc(-c2cc(C)cc(C3CCNCC3)c2)c(-c2ccc(C3(O)CCOCC3)cc2)cc1OC(C)C,GIHIJDSEUNJMFL-UHFFFAOYSA-N
-rxn:5:177449:223010:222960,COc1cc(-c2ccc(C3(O)CCOCC3)cc2)c(-c2cc(C)cc(C3CCNCC3)c2)cc1OC(C)C,IZGYABUNVCJRPJ-UHFFFAOYSA-N
-rxn:5:177729:225982:223294,CC(C)(C)OC(=O)c1ccc(-c2cnc(N3CCOCC3)cc2F)cc1-c1csc(N2CCNCC2)n1,HDDXNDYSUBJKLP-UHFFFAOYSA-N
-rxn:5:177730:226426:225809,CC1CCN(c2ccc(-c3ccc(-c4cc(F)ccc4OC4CCOC4)c(C(=O)OC(C)(C)C)c3)s2)CC1,JWHBIPJCETWJBZ-UHFFFAOYSA-N
-rxn:5:177731:225407:226147,Cc1cc(OC(C)C)cc(C)c1-c1ccc(C(=O)OC(C)(C)C)c(-c2ccc(C3CCCCCC3)cc2)c1,NYULFRBKGNBREL-UHFFFAOYSA-N
-rxn:5:177732:225976:226330,CC(c1ccc(-c2cc(C(=O)OC(C)(C)C)ccc2-c2ccnc(N3CCOCC3)c2F)s1)N1CCCC1,JNGRKFFSWBLSPZ-UHFFFAOYSA-N
-rxn:5:177733:223056:226664,CC(C)(C)OC(=O)c1cc(-c2ccc(N3CCC(O)CC3)nc2)cc(-c2cc(N3CCCC3)ncc2F)c1,DAIIEKXBPZVRGF-UHFFFAOYSA-N
-rxn:5:177733:223065:226663,CC(C)(C)OC(=O)c1cc(-c2ccc(N3CCSCC3)nc2)cc(-c2ccc(N3CCNCC3)cc2F)c1,HVYSBWVYMNBCNA-UHFFFAOYSA-N
-rxn:5:177733:225407:226069,CC(C)(C)OC(=O)c1cc(-c2ccc(C3CCCCCC3)cc2)cc(-c2cccc(C3CCCCC3)c2)c1,MDEMWTBHSLIJNJ-UHFFFAOYSA-N
-rxn:5:177733:225976:223061,CC(C)(C)OC(=O)c1cc(-c2cc(C3CCNCC3)ncc2F)cc(-c2ccnc(N3CCOCC3)c2F)c1,FXPVXVNEBWYWFK-UHFFFAOYSA-N
-rxn:5:177733:225980:226663,CC(C)(C)OC(=O)c1cc(-c2ccc(N3CCSCC3)nc2)cc(-c2cc(N3CCOCC3)ncc2F)c1,MDRZAPHAKMNPFT-UHFFFAOYSA-N
-rxn:5:177736:225453:225453,CC(C)(C)OC(=O)c1ccc(-c2cccc(SC3CCCCC3)c2)c(-c2cccc(SC3CCCCC3)c2)c1,HVRDNJSAROXUDN-UHFFFAOYSA-N
-rxn:5:177736:225980:226663,CC(C)(C)OC(=O)c1ccc(-c2ccc(N3CCSCC3)nc2)c(-c2cc(N3CCOCC3)ncc2F)c1,SBXCTSHJQVCKEU-UHFFFAOYSA-N
-rxn:5:177736:226645:223054,CC(c1ccc(-c2ccc(C(=O)OC(C)(C)C)cc2-c2ccnc(N3CCOCC3)c2)s1)N1CCC(O)C1,BBVKWPUQADEYBY-UHFFFAOYSA-N
-rxn:5:177736:226794:225833,CC(C)(C)OC(=O)c1ccc(-c2ccnc(N3CCCCC3)c2F)c(-c2cnc(N3CCSCC3)nc2)c1,VMPIDOZFULUNJA-UHFFFAOYSA-N
-rxn:5:177737:225805:223064,CC(c1ccc(-c2ccc(-c3ccc(C4CCNCC4)nc3F)cc2C(=O)OC(C)(C)C)s1)N1CCOCC1,PWIAXMGSVMCDLE-UHFFFAOYSA-N
-rxn:5:177739:225439:223131,CC(c1cccc(-c2cccc(C(=O)OC(C)(C)C)c2-c2ccc(N3CCNCC3)cc2)c1)N1CCCC1,KFWYDXHPJXZGGT-UHFFFAOYSA-N
-rxn:5:177739:225834:226663,CC(C)(C)OC(=O)c1cccc(-c2cc(N3CCCCC3)ncc2F)c1-c1ccc(N2CCSCC2)nc1,PQFHEFAUPNOITR-UHFFFAOYSA-N
-rxn:5:177739:225976:226663,CC(C)(C)OC(=O)c1cccc(-c2ccnc(N3CCOCC3)c2F)c1-c1ccc(N2CCSCC2)nc1,NVQBMCUZOPJTBT-UHFFFAOYSA-N
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-rxn:5:177739:226037:226738,COc1c(C(F)(F)F)ccc(-c2cccc(C(=O)OC(C)(C)C)c2-c2ccc(C(C)=O)cc2[N+](=O)[O-])c1F,BTJOKJMSJQULSQ-UHFFFAOYSA-N
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-rxn:5:177891:223146:226426,CC1CCN(c2ccc(C3CS(=O)(=O)CC3SC(=O)c3ccccc3-c3cccc(C4CNCCO4)c3)s2)CC1,CINCCKHQNCDTSA-UHFFFAOYSA-N
-rxn:5:177891:225607:227449,CC(c1ccc(-c2ccccc2C(=O)SC2CS(=O)(=O)CC2c2ccc(C3CCOCC3)s2)s1)N1CCCCC1,PKYFLPGUUZHBNR-UHFFFAOYSA-N
-rxn:5:177891:226181:227506,O=C(SC1CS(=O)(=O)CC1c1cccc(/C=C/[N+](=O)[O-])c1)c1ccccc1-c1ccc(C2=CCCCC2)nc1,JTCMHQLULGLWNN-FOCLMDBBSA-N
-rxn:5:177891:226643:226335,N#Cc1cc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2ccc(N3CCOCC3)nc2)ccc1C1COC1,AOYKEPCINPDIGG-UHFFFAOYSA-N
-rxn:5:177891:226644:228210,O=C(SC1CS(=O)(=O)CC1c1ccc(N2CCCC2)s1)c1ccccc1-c1cncc(N2CCOCC2)c1,YRGOPLHEEGMNEY-UHFFFAOYSA-N
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-rxn:5:177891:227444:227452,O=C(SC1CS(=O)(=O)CC1c1cccc(C2OCCO2)c1)c1ccccc1-c1cncc(C2CCCO2)c1,XCNRSTCVSRXNFV-UHFFFAOYSA-N
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-rxn:5:178118:225631:223138,CN1CCN(c2ccc(-c3ccc(-c4ccnc(C5CCNCC5)c4)cc3OCC3CCCCO3)cc2)CC1,ZJPTVWQGAWDDCR-UHFFFAOYSA-N
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-rxn:5:178121:227102:223000,CC(C)(C)c1ccc(F)c(-c2c(OCC3CCOCC3)cccc2-c2ccc(C3CCCNC3)c(F)c2)c1,CNBNCZSAHXBLHM-UHFFFAOYSA-N
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-rxn:5:178226:226583:227803,CN(C)S(=O)(=O)n1nccc1-c1cccc(OCC2CCCCC2)c1-c1ccc(CN2CCOCC2)s1,QHAVRJKWOIGLEF-UHFFFAOYSA-N
-rxn:5:178295:223061:223068,COC(=O)C1(c2cc(-c3ccc4[nH]c(C(F)(F)F)cc4c3)ccc2-c2cc(C3CCNCC3)ncc2F)CCC(=O)CC1,WUVSIZJCZRCLAJ-UHFFFAOYSA-N
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-rxn:5:178295:225886:226966,COC(=O)C1(c2cc(-c3ccc4c(c3)C(=O)CCC4)ccc2-c2ccc3c(ccn3S(C)(=O)=O)c2)CCC(=O)CC1,JQMDZSBCSVUSPJ-UHFFFAOYSA-N
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-rxn:5:178295:226769:228555,COCc1ccccc1-c1ccc(-c2cc(C(=O)OC)cc(F)c2F)c(C2(C(=O)OC)CCC(=O)CC2)c1,JNIDHFWJLSIBQL-UHFFFAOYSA-N
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-rxn:5:178295:227073:228177,COCc1ccc(F)cc1-c1ccc(-c2cc(OC)cc(C3CC3)c2)c(C2(C(=O)OC)CCC(=O)CC2)c1,NUPUBIBWPFHYQS-UHFFFAOYSA-N
-rxn:5:178295:227076:227825,CCC(C)c1ccc(F)c(-c2ccc(-c3cccc(C4CCC4)c3)cc2C2(C(=O)OC)CCC(=O)CC2)c1,NVMCEQAKBPMPOQ-UHFFFAOYSA-N
-rxn:5:178295:227103:228625,CCc1ccc(-c2ccc(-c3sccc3C3CCCCC3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)c1,SYLMBRYUURWDPX-UHFFFAOYSA-N
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-rxn:5:178295:227115:228562,CCC(C)c1csc(-c2ccc(-c3cc(C)c(C4CC4)cc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,KQMLTHAHVTVVHM-UHFFFAOYSA-N
-rxn:5:178295:227120:228567,CCC(C)c1sccc1-c1ccc(-c2ccc(C3CCC3)cc2F)c(C2(C(=O)OC)CCC(=O)CC2)c1,VPJBNWVSZTWENP-UHFFFAOYSA-N
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-rxn:5:178295:227361:225498,COC(=O)C1(c2cc(-c3cc(C4CCCCC4)ccc3F)ccc2-c2cc(OC)c(C)cc2OC)CCC(=O)CC1,PYMCOUDLUTTYBP-UHFFFAOYSA-N
-rxn:5:178295:227530:228567,CCC(C)c1sccc1-c1ccc(-c2cc(C(=O)OC)ccc2F)c(C2(C(=O)OC)CCC(=O)CC2)c1,HMQCORIRNBZPEH-UHFFFAOYSA-N
-rxn:5:178295:227540:228401,COC(=O)C1(c2cc(-c3c(F)ccc(F)c3OC)ccc2-c2cc(SC)cc(F)c2OC)CCC(=O)CC1,MVWFPQSVANXZEG-UHFFFAOYSA-N
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-rxn:5:178295:227568:228447,COC(=O)C1(c2cc(-c3cccc(C(F)F)c3F)ccc2-c2c(F)cc(OC)cc2OC)CCC(=O)CC1,DWBPIVQYHPQIDF-UHFFFAOYSA-N
-rxn:5:178295:227591:228267,COC(=O)C1(c2cc(-c3c(F)ccc(C)c3OC)ccc2-c2ccc(C(F)F)cc2OC)CCC(=O)CC1,ZFKGCZYAFQLATE-UHFFFAOYSA-N
-rxn:5:178295:227671:227933,CCc1ccc(OC)cc1-c1ccc(-c2c(C)cccc2C(F)(F)F)c(C2(C(=O)OC)CCC(=O)CC2)c1,QGMROGURGAQRLI-UHFFFAOYSA-N
-rxn:5:178295:227696:223359,CNCc1ccc(-c2ccc(-c3ccc(C(=O)OC)nc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc1F,GGKWTUSZYVTVMB-UHFFFAOYSA-N
-rxn:5:178295:227815:226085,CCC(C)c1ccccc1-c1ccc(-c2ccc3c(c2)CCC(C)(C)O3)cc1C1(C(=O)OC)CCC(=O)CC1,SKBRDCDWNLWHBN-UHFFFAOYSA-N
-rxn:5:178295:228156:227568,COC(=O)C1(c2cc(-c3c(F)cc(OC)cc3OC)ccc2-c2cc(OC)ccc2OC)CCC(=O)CC1,AZXWBOJWAXSWNL-UHFFFAOYSA-N
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-rxn:5:178295:228181:226907,COCc1cc(F)ccc1-c1ccc(-c2cccc3c2CCC32CC2)cc1C1(C(=O)OC)CCC(=O)CC1,ZYYKGHIUVONSKS-UHFFFAOYSA-N
-rxn:5:178295:228195:227815,CCC(C)c1ccccc1-c1ccc(-c2cn(C(C)(C)C)nc2C)c(C2(C(=O)OC)CCC(=O)CC2)c1,QXFCXHYOBZUERO-UHFFFAOYSA-N
-rxn:5:178295:228195:228437,COC(=O)C1(c2cc(-c3ccc(C(F)F)cc3F)ccc2-c2cn(C(C)(C)C)nc2C)CCC(=O)CC1,UAPSHWHYFVFPEA-UHFFFAOYSA-N
-rxn:5:178295:228503:223183,CNS(=O)(=O)c1ccc(-c2ccc(-c3ccc4c(c3)CCC4)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(C)c1,RSCWHUVTAQNUMN-UHFFFAOYSA-N
-rxn:5:178295:228518:225498,CC#Cc1ccc(-c2ccc(-c3cc(C4CCCCC4)ccc3F)cc2C2(C(=O)OC)CCC(=O)CC2)cc1,FRHFUAGOXBSOTQ-UHFFFAOYSA-N
-rxn:5:178295:228560:226060,CCSc1ccccc1-c1ccc(-c2cc(C3CC3)cc(C3CC3)c2)cc1C1(C(=O)OC)CCC(=O)CC1,JHHADPDANMDYCT-UHFFFAOYSA-N
-rxn:5:178295:228564:227038,CCC(C)c1ccc(-c2ccc(-c3cc(C(C)C)ccc3OC)cc2C2(C(=O)OC)CCC(=O)CC2)s1,GMDKSHFRSROSRO-UHFFFAOYSA-N
-rxn:5:178295:228606:225453,CCc1ccc(F)c(-c2ccc(-c3cccc(SC4CCCCC4)c3)cc2C2(C(=O)OC)CCC(=O)CC2)c1,MTJFLWCPXGNCAV-UHFFFAOYSA-N
-rxn:5:178313:225450:226919,CC(C)(C)[Si](C)(C)Oc1ccc(-c2ccc(C(=O)C3CCCC3)cc2)c(-c2cccc(C3CCCC3)c2)c1,LUIWEMROVKHLEF-UHFFFAOYSA-N
-rxn:5:178313:225453:226915,CC(C)(C)[Si](C)(C)Oc1ccc(-c2cccc(SC3CCCCC3)c2)c(-c2ccc(C3CCCC3)cc2)c1,SITSWTMNOZZMNP-UHFFFAOYSA-N
-rxn:5:178313:225498:225453,CC(C)(C)[Si](C)(C)Oc1ccc(-c2cc(C3CCCCC3)ccc2F)c(-c2cccc(SC3CCCCC3)c2)c1,AYLGPNZRTBSLCH-UHFFFAOYSA-N
-rxn:5:178313:226146:226069,CC(C)(C)[Si](C)(C)Oc1ccc(-c2ccc(SC3CCCC3)cc2)c(-c2cccc(C3CCCCC3)c2)c1,RNFDNKVHMFEURZ-UHFFFAOYSA-N
-rxn:5:178313:226191:226069,CC(C)(C)[Si](C)(C)Oc1ccc(-c2cc(C3CCCC3)ccc2F)c(-c2cccc(C3CCCCC3)c2)c1,AVXBXKPCNDSNRN-UHFFFAOYSA-N
-rxn:5:178313:226794:226739,CC(=O)c1ccc(-c2cc(O[Si](C)(C)C(C)(C)C)ccc2-c2cnc(N3CCSCC3)nc2)cc1[N+](=O)[O-],LWBBHYIQRMBVOA-UHFFFAOYSA-N
-rxn:5:178314:223061:227020,CC(C)(C)[Si](C)(C)Oc1cc(-c2cc(C3CCNCC3)ncc2F)ccc1-c1cncc(C#CC2CC2)c1,LVEOACIFKHMEDH-UHFFFAOYSA-N
-rxn:5:178314:225451:227066,CC(C)(C)[Si](C)(C)Oc1cc(-c2ccc(SC3CCCCC3)cc2)ccc1-c1cccc(C(=O)C2CC2)c1,KAUQPAWQZVUUMJ-UHFFFAOYSA-N
-rxn:5:178314:225453:226146,CC(C)(C)[Si](C)(C)Oc1cc(-c2cccc(SC3CCCCC3)c2)ccc1-c1ccc(SC2CCCC2)cc1,BIBQWKIOOVVIDA-UHFFFAOYSA-N
-rxn:5:178314:226064:226146,CC(C)(C)[Si](C)(C)Oc1cc(-c2ccc(C3CCCCC3)cc2)ccc1-c1ccc(SC2CCCC2)cc1,FBZXKJFXMGCFMN-UHFFFAOYSA-N
-rxn:5:178314:226794:223062,CC(C)(C)[Si](C)(C)Oc1cc(-c2cnc(N3CCSCC3)nc2)ccc1-c1cnc(C2CCNCC2)cc1F,ISVRCKROAVREGI-UHFFFAOYSA-N
-rxn:5:178314:226794:223064,CC(C)(C)[Si](C)(C)Oc1cc(-c2cnc(N3CCSCC3)nc2)ccc1-c1ccc(C2CCNCC2)nc1F,GBGIUVINXIWYKP-UHFFFAOYSA-N
-rxn:5:178314:226794:225833,CC(C)(C)[Si](C)(C)Oc1cc(-c2cnc(N3CCSCC3)nc2)ccc1-c1ccnc(N2CCCCC2)c1F,BVYPUUFGZZJPOT-UHFFFAOYSA-N
-rxn:5:178314:227803:226665,CN(C)S(=O)(=O)n1nccc1-c1ccc(-c2cnc(C3CCCOC3)nc2)c(O[Si](C)(C)C(C)(C)C)c1,YCJQCSYNVLLVIV-UHFFFAOYSA-N
-rxn:5:178315:223062:227020,CC(C)(C)[Si](C)(C)Oc1cc(-c2cncc(C#CC3CC3)c2)cc(-c2cnc(C3CCNCC3)cc2F)c1,AMGDJDLFOZLMCM-UHFFFAOYSA-N
-rxn:5:178315:225451:226969,CC(C)(C)[Si](C)(C)Oc1cc(-c2ccc(SC3CCCCC3)cc2)cc(-c2ccc3c(c2)CCCC3=O)c1,YBLUQEQQNVKMMH-UHFFFAOYSA-N
-rxn:5:178315:225453:227065,CC(C)C(=O)c1cccc(-c2cc(O[Si](C)(C)C(C)(C)C)cc(-c3cccc(SC4CCCCC4)c3)c2)c1,ZJKMJOSVHVPNDY-UHFFFAOYSA-N
-rxn:5:178315:225453:227663,Cc1ccc(-c2cc(O[Si](C)(C)C(C)(C)C)cc(-c3cccc(SC4CCCCC4)c3)c2)cc1C(F)(F)F,PJAVAZYPWDWKDA-UHFFFAOYSA-N
-rxn:5:178466:223006:225633,CC(C)OC(=O)c1sc2cc(-c3ccc(F)c(C4CCNCC4)c3)ccc2c1-c1ccc(N2CCCCCC2)nc1,AENDFWBFOLZAFR-UHFFFAOYSA-N
-rxn:5:178466:223061:225632,CC(C)OC(=O)c1sc2cc(-c3cc(C4CCNCC4)ncc3F)ccc2c1-c1cccc(N2CCN(C)CC2)c1,FXXZHHJLFRNPFK-UHFFFAOYSA-N
-rxn:5:178466:223062:225454,CC(C)OC(=O)c1sc2cc(-c3cnc(C4CCNCC4)cc3F)ccc2c1-c1ccc(C2=CCN(C)CC2)cc1,RKXMFRZAIJXGLQ-UHFFFAOYSA-N
-rxn:5:178466:225633:223006,CC(C)OC(=O)c1sc2cc(-c3ccc(N4CCCCCC4)nc3)ccc2c1-c1ccc(F)c(C2CCNCC2)c1,UDYKAZMFJXPPJE-UHFFFAOYSA-N
-rxn:5:178466:225784:223061,CC(C)OC(=O)c1sc2cc(-c3ccc(CN4CCOCC4)nc3)ccc2c1-c1cc(C2CCNCC2)ncc1F,YRHMOOSIOPEZKK-UHFFFAOYSA-N
-rxn:5:178466:225784:225833,CC(C)OC(=O)c1sc2cc(-c3ccc(CN4CCOCC4)nc3)ccc2c1-c1ccnc(N2CCCCC2)c1F,FVQVPUUMPSOWOW-UHFFFAOYSA-N
-rxn:5:178466:225833:225784,CC(C)OC(=O)c1sc2cc(-c3ccnc(N4CCCCC4)c3F)ccc2c1-c1ccc(CN2CCOCC2)nc1,CGEVUKPHBUXXBY-UHFFFAOYSA-N
-rxn:5:178466:225976:225784,CC(C)OC(=O)c1sc2cc(-c3ccnc(N4CCOCC4)c3F)ccc2c1-c1ccc(CN2CCOCC2)nc1,HZCINDWMUWICAM-UHFFFAOYSA-N
-rxn:5:178466:226583:223061,CC(C)OC(=O)c1sc2cc(-c3ccc(CN4CCOCC4)s3)ccc2c1-c1cc(C2CCNCC2)ncc1F,NCRJEDIENCNLQA-UHFFFAOYSA-N
-rxn:5:178466:226583:223062,CC(C)OC(=O)c1sc2cc(-c3ccc(CN4CCOCC4)s3)ccc2c1-c1cnc(C2CCNCC2)cc1F,PIHMMBLEVWPIKU-UHFFFAOYSA-N
-rxn:5:178466:226661:223061,CC(C)OC(=O)c1sc2cc(-c3cc(N4CCN(C)CC4)cs3)ccc2c1-c1cc(C2CCNCC2)ncc1F,HXWYJRNNIANYOE-UHFFFAOYSA-N
-rxn:5:178466:226661:223063,CC(C)OC(=O)c1sc2cc(-c3cc(N4CCN(C)CC4)cs3)ccc2c1-c1cc(F)nc(C2CCNCC2)c1,BPXAMEMRMNZWFO-UHFFFAOYSA-N
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-rxn:5:178467:222981:227944,CCOC(=O)C1=Cc2cc(-c3cncc(C(C)(C)C)c3)cc(-c3ccnc(NC4CCCCC4)c3)c2OC1,OUBZPHGKVKXQHI-UHFFFAOYSA-N
-rxn:5:178467:223001:223011,CCOC(=O)C1=Cc2cc(-c3cc4[nH]ncc4cc3OC(C)C)cc(-c3cc(C4CCCNC4)ccc3F)c2OC1,POMLDXPLABFRRC-UHFFFAOYSA-N
-rxn:5:178467:223062:228245,CCOC(=O)C1=Cc2cc(-c3ccc(C(C)=O)c(F)c3)cc(-c3cnc(C4CCNCC4)cc3F)c2OC1,IZMWMMPFQBAUMO-UHFFFAOYSA-N
-rxn:5:178467:225454:228292,CCOC(=O)C1=Cc2cc(-c3ccnc4c3OCCO4)cc(-c3ccc(C4=CCN(C)CC4)cc3)c2OC1,JYRSDVRAWKLSOP-UHFFFAOYSA-N
-rxn:5:178467:225636:223384,CCOC(=O)C1=Cc2cc(-c3ccc(C(=O)NC)nc3)cc(-c3ccnc(N4CCC(C)CC4)c3)c2OC1,CBAOOHORHIUKME-UHFFFAOYSA-N
-rxn:5:178467:225976:226973,CCOC(=O)C1=Cc2cc(-c3ccc4c(c3)C(C)(C)CO4)cc(-c3ccnc(N4CCOCC4)c3F)c2OC1,VXJHSTYKQFZDFE-UHFFFAOYSA-N
-rxn:5:178467:225980:228327,CCOC(=O)C1=Cc2cc(-c3cnc(OC)c(OC)c3)cc(-c3cc(N4CCOCC4)ncc3F)c2OC1,TXIRKZHRTLJTCD-UHFFFAOYSA-N
-rxn:5:178467:226326:223242,CCOC(=O)C1=Cc2cc(-c3ccnc(C4CCNC4)c3)cc(-c3cccc(C4(C#N)CC4)c3F)c2OC1,ZPTRDGXKVVVQHR-UHFFFAOYSA-N
-rxn:5:178467:226583:223378,CCOC(=O)C1=Cc2cc(-c3cnc4c(c3)NCCO4)cc(-c3ccc(CN4CCOCC4)s3)c2OC1,XJKMSBBHNSJSEB-UHFFFAOYSA-N
-rxn:5:178467:227377:227803,CCOC(=O)C1=Cc2cc(-c3ccnn3S(=O)(=O)N(C)C)cc(-c3cncnc3C3CCCC3)c2OC1,YGQYPIIBOWSKRZ-UHFFFAOYSA-N
-rxn:5:178467:227409:223131,CCOC(=O)C1=Cc2cc(-c3ccc(N4CCNCC4)cc3)cc(-c3cc(C(C)(C)C)ncc3F)c2OC1,DFIHNMJWWKPBNA-UHFFFAOYSA-N
-rxn:5:178467:227491:226898,CCOC(=O)C1=Cc2cc(-c3cn(S(=O)(=O)N(C)C)nc3C)cc(-c3cnc(OC4CCC4)nc3)c2OC1,RGWVCQBVSFDHML-UHFFFAOYSA-N
-rxn:5:178467:227696:223138,CCOC(=O)C1=Cc2cc(-c3ccnc(C4CCNCC4)c3)cc(-c3ccc(C(=O)OC)nc3F)c2OC1,CDXRUXDTPDINOK-UHFFFAOYSA-N
-rxn:5:178467:227803:226665,CCOC(=O)C1=Cc2cc(-c3cnc(C4CCCOC4)nc3)cc(-c3ccnn3S(=O)(=O)N(C)C)c2OC1,JFAIXAQORQFTPG-UHFFFAOYSA-N
-rxn:5:178467:227944:225976,CCOC(=O)C1=Cc2cc(-c3ccnc(N4CCOCC4)c3F)cc(-c3cncc(C(C)(C)C)c3)c2OC1,GYPZYJWWIDFCDJ-UHFFFAOYSA-N
-rxn:5:178467:228097:225881,CCOC(=O)C1=Cc2cc(-c3ccc(C4CCOCC4)nc3F)cc(-c3cncc(CN(C)C)c3)c2OC1,IUVNNIJMRFROCW-UHFFFAOYSA-N
-rxn:5:178467:228097:226427,CCOC(=O)C1=Cc2cc(-c3cc(N4CCC(C)CC4)cs3)cc(-c3cncc(CN(C)C)c3)c2OC1,DHQKFHNPVUHFGS-UHFFFAOYSA-N
-rxn:5:178467:228292:225637,CCOC(=O)C1=Cc2cc(-c3ccccc3N3CCN(C)CC3)cc(-c3ccnc4c3OCCO4)c2OC1,YCWPLUOQENGHOE-UHFFFAOYSA-N
-rxn:5:180021:226414:225987,COc1c(-c2ccc(C3=NCCCO3)cc2)cc(C2OCCO2)cc1-c1ccc(N2CCCS2(=O)=O)cc1,QAUATSXVQRUBHX-UHFFFAOYSA-N
-rxn:5:180092:225394:225881,C[Si](C)(C)C#Cc1cc(-c2cc(C3CCC3)cc(C3CC3)c2)cc(-c2ccc(C3CCOCC3)nc2F)c1,LQPQGQSXHHVEES-UHFFFAOYSA-N
-rxn:5:180402:223189:226322,Cc1cc(C(=O)N(C)C)ccc1-c1cc(-c2ccc(NS(C)(=O)=O)cc2F)ccc1C(=O)C1CCCCC1,DHBIBDUIHXLWRY-UHFFFAOYSA-N
-rxn:5:180662:222980:223203,COC(=O)C1=Cc2cc(-c3cccc(C4(O)CCC4)c3)cc(-c3ccc(CN4CCNCC4)cc3)c2OC1,SVELHCVTYHFGPY-UHFFFAOYSA-N
-rxn:5:180662:225833:225976,COC(=O)C1=Cc2cc(-c3ccnc(N4CCOCC4)c3F)cc(-c3ccnc(N4CCCCC4)c3F)c2OC1,ZXKIDFGDPDJBAR-UHFFFAOYSA-N
-rxn:5:180662:226144:222987,COC(=O)C1=Cc2cc(-c3ccc(C4CCNCC4)nc3C)cc(-c3ccc(C#C[Si](C)(C)C)cc3)c2OC1,FYMRGTOXQAGPJR-UHFFFAOYSA-N
-rxn:5:180662:226663:225980,COC(=O)C1=Cc2cc(-c3cc(N4CCOCC4)ncc3F)cc(-c3ccc(N4CCSCC4)nc3)c2OC1,AGAMALZBHVIHSZ-UHFFFAOYSA-N
-rxn:5:181624:225832:225466,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(C2OCCO2)c(-c2ccc(N3CCCCC3C)cc2)c1,POCOFXSVTRXODV-UHFFFAOYSA-N
-rxn:5:181626:225640:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cccc(-c2ccnc(N3CCCCC3C)c2)c1C1OCCO1,PLGNCCZQCHOJQZ-UHFFFAOYSA-N
-rxn:5:181628:225832:222998,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2cc(F)cc(C3CCCNC3)c2)c(C2OCCO2)c1,DFRZOZANOFAINF-UHFFFAOYSA-N
-rxn:5:181628:225832:226427,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2cc(N3CCC(C)CC3)cs2)c(C2OCCO2)c1,QOKGDZATLUTVFZ-UHFFFAOYSA-N
-rxn:5:181630:225636:225832,Cc1nn(C2CCCCO2)c(C)c1-c1c(-c2ccnc(N3CCC(C)CC3)c2)cccc1C1OCCO1,QJKNXTMFXVLWGP-UHFFFAOYSA-N
-rxn:5:181904:222957:225653,Cc1cc(-c2ccc(C3OCCO3)c(C)c2-c2ccc(N3CCCCC3C)nc2)cc(C2CCCNC2)c1,OSCGZMGNUXEWGT-UHFFFAOYSA-N
-rxn:5:181904:223148:225607,Cc1c(C2OCCO2)ccc(-c2ccccc2C2CNCCO2)c1-c1ccc(C(C)N2CCCCC2)s1,QBCCLDAIGPUKSE-UHFFFAOYSA-N
-rxn:5:181904:225832:223148,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(C2OCCO2)c(C)c1-c1ccccc1C1CNCCO1,INYUNUWTDOFJKC-UHFFFAOYSA-N
-rxn:5:181904:225832:223186,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(C2OCCO2)c(C)c1-c1cnn(C2CCCCO2)c1,VMKKCIZJFCEENX-UHFFFAOYSA-N
-rxn:5:181904:226686:222959,Cc1cc(-c2c(-c3c(C)cnn3C3CCCCO3)ccc(C3OCCO3)c2C)ccc1C1CCNCC1,ADIIPRCHDSPPFF-UHFFFAOYSA-N
-rxn:5:181905:225607:227610,Cc1ccc(-c2ccn(C3CCCCO3)n2)c(C2OCCO2)c1-c1ccc(C(C)N2CCCCC2)s1,PUWCOTZUWRBTJQ-UHFFFAOYSA-N
-rxn:5:181905:225633:226425,Cc1ccc(-c2ccc(N3CCCCC3C)s2)c(C2OCCO2)c1-c1ccc(N2CCCCCC2)nc1,FPTLPEMBZKVGKH-UHFFFAOYSA-N
-rxn:5:181906:225640:226686,Cc1ccc(-c2ccnc(N3CCCCC3C)c2)c(C2OCCO2)c1-c1c(C)cnn1C1CCCCO1,ROPOCBPUHKZDEZ-UHFFFAOYSA-N
-rxn:5:181907:222958:226428,Cc1cc(-c2ccc(C)c(C3CCNCC3)c2)c(-c2cc(N3CCCCC3C)cs2)c(C2OCCO2)c1,WIGMSRSBILFDNT-UHFFFAOYSA-N
-rxn:5:181907:222986:222959,Cc1cc(-c2cc(C)nc(C3CCCNC3)c2)c(-c2ccc(C3CCNCC3)c(C)c2)c(C2OCCO2)c1,LVSHEGRFTYEXMY-UHFFFAOYSA-N
-rxn:5:181907:225653:226428,Cc1cc(-c2ccc(N3CCCCC3C)nc2)c(-c2cc(N3CCCCC3C)cs2)c(C2OCCO2)c1,PLLYDFAOSQHEEA-UHFFFAOYSA-N
-rxn:5:181907:225805:226187,Cc1cc(-c2ccc(C(C)N3CCOCC3)s2)c(-c2cccc(C3CCOCC3)c2)c(C2OCCO2)c1,NYPZWXXOBANPNU-UHFFFAOYSA-N
-rxn:5:181908:222957:225655,Cc1cc(-c2cc(C)c(C3OCCO3)cc2-c2cncc(N3CCC(C)CC3)c2)cc(C2CCCNC2)c1,GNGJROQYDUCDHS-UHFFFAOYSA-N
-rxn:5:181908:222981:226330,Cc1cc(-c2ccnc(NC3CCCCC3)c2)c(-c2ccc(C(C)N3CCCC3)s2)cc1C1OCCO1,SPNHLTVSBLRGTF-UHFFFAOYSA-N
-rxn:5:181908:222998:225831,Cc1cc(-c2cc(F)cc(C3CCCNC3)c2)c(-c2cnc(N3CCOCC3)c(C)c2)cc1C1OCCO1,LQGFNAFRGVHAPG-UHFFFAOYSA-N
-rxn:5:181908:225607:223136,Cc1cc(-c2ccc(C(C)N3CCCCC3)s2)c(-c2ccncc2C2CCCNC2)cc1C1OCCO1,DZQAQPUTDBRICM-UHFFFAOYSA-N
-rxn:5:181908:225607:226069,Cc1cc(-c2ccc(C(C)N3CCCCC3)s2)c(-c2cccc(C3CCCCC3)c2)cc1C1OCCO1,YXHBXUMZJWFHIE-UHFFFAOYSA-N
-rxn:5:181908:225633:222981,Cc1cc(-c2ccc(N3CCCCCC3)nc2)c(-c2ccnc(NC3CCCCC3)c2)cc1C1OCCO1,WLJJVPZIMYBBIO-UHFFFAOYSA-N
-rxn:5:182009:226652:225988,Cc1cc(-c2ccc(-c3c(F)cc(C4OCCO4)cc3F)cc2C2CCOCC2)n(C2CCCCO2)n1,KMUHLFIHGRBUAO-UHFFFAOYSA-N
-rxn:5:182010:222981:222957,Cc1cc(-c2ccc(C3CCOCC3)c(-c3ccnc(NC4CCCCC4)c3)c2)cc(C2CCCNC2)c1,HFWXZINBDRGHSD-UHFFFAOYSA-N
-rxn:5:182010:225655:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(C2CCOCC2)c(-c2cncc(N3CCC(C)CC3)c2)c1,NCUCKTAOJXEPTM-UHFFFAOYSA-N
-rxn:5:182010:225832:223142,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2ccc(C3CCCNC3)nc2)ccc1C1CCOCC1,FGYIJHSEEJJPPW-UHFFFAOYSA-N
-rxn:5:182010:226686:225654,Cc1cnn(C2CCCCO2)c1-c1cc(-c2ccc(N3CCCC(C)C3)nc2)ccc1C1CCOCC1,BMGIYMPSLFXRAL-UHFFFAOYSA-N
-rxn:5:182011:222981:222958,Cc1ccc(-c2cc(C3CCOCC3)ccc2-c2ccnc(NC3CCCCC3)c2)cc1C1CCNCC1,UFDPGTFEOWZWGT-UHFFFAOYSA-N
-rxn:5:182012:225832:223138,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2ccnc(C3CCNCC3)c2)c(C2CCCOC2)c1,GAEYFFTZQUWVJS-UHFFFAOYSA-N
-rxn:5:182012:225832:225438,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2ccc(C(C)N3CCCC3)cc2)c(C2CCCOC2)c1,UGPNYNBTMZZUSQ-UHFFFAOYSA-N
-rxn:5:182012:226652:222996,Cc1cc(-c2ccc(-c3ccc(F)cc3C3CCCNC3)c(C3CCCOC3)c2)n(C2CCCCO2)n1,YNZVBMJONCRALN-UHFFFAOYSA-N
-rxn:5:182012:227103:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2sccc2C2CCCCC2)cc1C1CCCOC1,MFVCMCROFCQWEO-UHFFFAOYSA-N
-rxn:5:183062:225677:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2ccc(C3CCCCC3)nc2F)cc2c1OCCCO2,GDPLLDSLLXQCDJ-UHFFFAOYSA-N
-rxn:5:183189:225832:227611,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2ccnn2C2CCCCO2)cc2c1OC(C)(C)OC2,UAKBFDYEEDFGRF-UHFFFAOYSA-N
-rxn:5:188867:223061:226662,CC(C)OC(=O)c1cc(-c2ccc(N3CCN(C)CC3)s2)ncc1-c1cc(C2CCNCC2)ncc1F,CUSAEYYUPWUAQE-UHFFFAOYSA-N
-rxn:5:188867:223065:226661,CC(C)OC(=O)c1cc(-c2cc(N3CCN(C)CC3)cs2)ncc1-c1ccc(N2CCNCC2)cc1F,XIKYLDXMOSNPKE-UHFFFAOYSA-N
-rxn:5:188867:225978:226661,CC(C)OC(=O)c1cc(-c2cc(N3CCN(C)CC3)cs2)ncc1-c1ccc(N2CCOCC2)nc1F,MCCWJFHYXVZWMI-UHFFFAOYSA-N
-rxn:5:188932:223148:226649,COC(=O)c1cc(-c2ccccc2C2CNCCO2)c(S(N)(=O)=O)c(-c2cccnc2N2CCOCC2)c1,JFFWZFUWQAHGLM-UHFFFAOYSA-N
-rxn:5:189001:226844:226661,COC(=O)C1(c2nc(-c3cc(N4CCN(C)CC4)cs3)ccc2-c2ccnc(C(=O)C(F)(F)F)c2)CC1,JMHYTMNKJKYKBK-UHFFFAOYSA-N
-rxn:5:189078:225976:223063,CCN(C)C(=O)c1cc(-c2ccnc(N3CCOCC3)c2F)ccc1-c1cc(F)nc(C2CCNCC2)c1,ZRIAUQNJRDJALK-UHFFFAOYSA-N
-rxn:5:189078:226330:223063,CCN(C)C(=O)c1cc(-c2ccc(C(C)N3CCCC3)s2)ccc1-c1cc(F)nc(C2CCNCC2)c1,CPDGBMXIYBHGPW-UHFFFAOYSA-N
-rxn:5:189078:226662:223063,CCN(C)C(=O)c1cc(-c2ccc(N3CCN(C)CC3)s2)ccc1-c1cc(F)nc(C2CCNCC2)c1,DBXYFJSJXXRYLB-UHFFFAOYSA-N
-rxn:5:189079:223063:226662,CCN(C)C(=O)c1ccc(-c2ccc(N3CCN(C)CC3)s2)c(-c2cc(F)nc(C3CCNCC3)c2)c1,QAHIWKKFLUJNCP-UHFFFAOYSA-N
-rxn:5:189208:227062:226665,CCOc1ccc(-c2ccc(C(=O)ON3C(=O)CCC3=O)c(-c3cnc(C4CCCOC4)nc3)c2)c(C)c1C,RAUCYIJHMRKOGM-UHFFFAOYSA-N
-rxn:5:189211:227166:225448,Cc1ccc(OC2CCCC2)c(-c2c(C(=O)ON3C(=O)CCC3=O)cccc2-c2ccc3c(c2)OCCN3C)c1,OFBRFUPUOFVHRF-UHFFFAOYSA-N
-rxn:5:189320:223143:225438,CC(c1ccc(-c2ncc(C(=O)OC(C)(C)C)cc2-c2cccc(N3CCC(O)C3)c2)cc1)N1CCCC1,WGRLOUZXRMDJMB-UHFFFAOYSA-N
-rxn:5:189320:223143:225439,CC(c1cccc(-c2ncc(C(=O)OC(C)(C)C)cc2-c2cccc(N3CCC(O)C3)c2)c1)N1CCCC1,YTLMCPVKBCQWCQ-UHFFFAOYSA-N
-rxn:5:189322:225449:223018,CC(C)(C)OC(=O)c1cc(-c2cccc(OC3CCCCC3)c2)cnc1-c1ccc2c(c1)NC(=O)C(C)(C)O2,AMQYREZAIVXXDX-UHFFFAOYSA-N
-rxn:5:189448:225453:227058,COc1ccc(C2CC2)cc1-c1cc(C(=O)N2CC(OC)C2)ccc1-c1cccc(SC2CCCCC2)c1,QPYWUSGCTUJPEA-UHFFFAOYSA-N
-rxn:5:189667:225407:227075,COc1cc(-c2cc(/C=N/[S@@](=O)C(C)(C)C)cc(-c3ccc(C4CCCCCC4)cc3)c2)cc(C(C)C)c1,PUISLPHKQOIYPM-MNMTYVCRSA-N
-rxn:5:189669:225451:226969,CC(C)(C)S(=O)/N=C/c1ccc(-c2ccc(SC3CCCCC3)cc2)c(-c2ccc3c(c2)CCCC3=O)c1,QMILKJNKNRKLAZ-PPOKSSTKSA-N
-rxn:5:189669:226069:225407,CC(C)(C)S(=O)/N=C/c1ccc(-c2cccc(C3CCCCC3)c2)c(-c2ccc(C3CCCCCC3)cc2)c1,DYELOUGDKYWUOZ-AVLPFNLUSA-N
-rxn:5:189670:225498:226918,CC(C)(C)S(=O)/N=C/c1cc(-c2cc(C3CCCCC3)ccc2F)ccc1-c1ccc(C2=CCCC2)cc1,YBCYAMMRFGUPCX-GOJREDGKSA-N
-rxn:5:189672:225407:226069,CC(C)(C)S(=O)/N=C/c1cccc(-c2ccc(C3CCCCCC3)cc2)c1-c1cccc(C2CCCCC2)c1,QAKVVQYWORYSRF-AVLPFNLUSA-N
-rxn:5:189673:226058:226059,CC(C)c1ccc(-c2cc(-c3c(C(C)C)cccc3C(C)C)ccc2/C=N/S(=O)C(C)(C)C)c(C(C)C)c1,NQECUUKKFTULAB-QLQYKETESA-N
-rxn:5:189674:226064:226662,CN1CCN(c2ccc(-c3ccc(/C=N/S(=O)C(C)(C)C)c(-c4ccc(C5CCCCC5)cc4)c3)s2)CC1,CSIQEKYULKTCIJ-GZZLJNBRSA-N
-rxn:5:189676:227052:225440,CC(C)(C)Sc1ccc(-c2cc(CC(=O)N3CCCC3)ccc2-c2ccc(C3(C#N)CCCC3)cc2)cc1,WCMKUDJOYQEHSD-UHFFFAOYSA-N
-rxn:5:189827:226342:227684,COC(=O)c1c(C)cc(-c2cc(CC(=O)N3CCOCC3)ccc2-c2cnn(CC3OCCO3)c2)cc1C,BQFJMKHMCPDSSO-UHFFFAOYSA-N
-rxn:5:189829:223294:225813,COc1c(-c2csc(N3CCNCC3)n2)cc(C(=O)N2CCCC2)cc1-c1cc(F)c(OC(C)C)c(F)c1C,ATOYNBBSTSAUAA-UHFFFAOYSA-N
-rxn:5:189910:227803:227684,CN(C)S(=O)(=O)n1nccc1-c1ccc(-c2cnn(CC3OCCO3)c2)c(CCN2CCOCC2)c1,PBFIQTZOGUSRGU-UHFFFAOYSA-N
-rxn:5:189952:222417:225803,COc1c(-c2ccnc(OC3CCOCC3)c2)cc(C(=O)N2CCOCC2)cc1-c1cnc(=O)[nH]c1C(C)C,FPPJUBAAQPFSOC-UHFFFAOYSA-N
-rxn:5:189952:223113:225978,COc1c(-c2ccc3c(c2)C(C)(C)C(=O)N3)cc(C(=O)N2CCOCC2)cc1-c1ccc(N2CCOCC2)nc1F,DSKPIIKNSRWSLS-UHFFFAOYSA-N
-rxn:5:189952:225655:227316,COc1c(-c2cncc(N3CCC(C)CC3)c2)cc(C(=O)N2CCOCC2)cc1-c1cc(F)nc(CC(C)C)c1,VNDIIYKTEJACFU-UHFFFAOYSA-N
-rxn:5:189952:226645:222417,COc1c(-c2ccnc(N3CCOCC3)c2)cc(C(=O)N2CCOCC2)cc1-c1cnc(=O)[nH]c1C(C)C,MZSMEOALHFXYJD-UHFFFAOYSA-N
-rxn:5:189952:228416:222986,COc1cc(F)cc(F)c1-c1cc(C(=O)N2CCOCC2)cc(-c2cc(C)nc(C3CCCNC3)c2)c1OC,NCZSTNAAABAHHJ-UHFFFAOYSA-N
-rxn:5:190000:226142:227052,CC(C)(C)Sc1ccc(-c2ccc(CC(=O)N3CCCCC3)c(-c3cccc(OC4CCCC4)c3)c2)cc1,BHLVYHZRXZECCV-UHFFFAOYSA-N
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-rxn:5:190001:225449:227052,CC(C)(C)Sc1ccc(-c2ccc(CC(=O)N3CCCCC3)cc2-c2cccc(OC3CCCCC3)c2)cc1,YLDWGQUDGCPOMR-UHFFFAOYSA-N
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-rxn:5:190001:226164:227045,CC(C)(C)Sc1cccc(-c2ccc(CC(=O)N3CCCCC3)cc2-c2ccc(N3CCCCC3)cc2)c1,QOTJCNWYSIUPIC-UHFFFAOYSA-N
-rxn:5:190001:227052:225447,CC(C)(C)Sc1ccc(-c2cc(CC(=O)N3CCCCC3)ccc2-c2ccc(OC3CCCCC3)cc2)cc1,OPOGNCLHJADMMW-UHFFFAOYSA-N
-rxn:5:190001:227348:225453,COc1ccc(-c2cc(CC(=O)N3CCCCC3)ccc2-c2cccc(SC3CCCCC3)c2)c(C)c1OC,WFMYDSIWENPRQE-UHFFFAOYSA-N
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-rxn:5:190127:225499:227942,CCc1ccc(-c2ccc(-c3ccc(C4CCCCC4)cc3F)cc2C(=O)N2CCC(OC)CC2)c(OC)c1,VUOPLXFUAYTXEN-UHFFFAOYSA-N
-rxn:5:190127:226576:228077,COC1CCN(C(=O)c2cc(-c3ccc(F)c(C(=O)N(C)C)c3)ccc2-c2ccc3c(c2)C(=O)OC3)CC1,ZSENRGVOFWTTPW-UHFFFAOYSA-N
-rxn:5:190127:227935:225394,CCc1cc(-c2ccc(-c3cc(C4CCC4)cc(C4CC4)c3)c(C(=O)N3CCC(OC)CC3)c2)ccc1OC,VRXBBDAVZZGQAO-UHFFFAOYSA-N
-rxn:5:190127:228177:226150,COCc1ccc(F)cc1-c1ccc(-c2cccc(SC3CCCC3)c2)c(C(=O)N2CCC(OC)CC2)c1,IWMGHERATKVZCU-UHFFFAOYSA-N
-rxn:5:190128:228177:225451,COCc1ccc(F)cc1-c1ccc(C(=O)N2CCC(OC)CC2)cc1-c1ccc(SC2CCCCC2)cc1,HZZKZHNULXZBNM-UHFFFAOYSA-N
-rxn:5:190131:226069:227353,COc1cc(C)c(-c2cc(C(=O)N3CCCCC3)cc(-c3cccc(C4CCCCC4)c3)c2OC)c(OC)c1,CVTRGNGMLNADHN-UHFFFAOYSA-N
-rxn:5:190131:226146:227917,CCc1ccc(OC)c(-c2cc(C(=O)N3CCCCC3)cc(-c3ccc(SC4CCCC4)cc3)c2OC)c1,IQDKKGYVJWOJOB-UHFFFAOYSA-N
-rxn:5:190194:228184:225465,COc1ccc(-c2cccc(CN3CCC(OC)CC3)c2-c2cccc(C3CCN(C)CC3)c2)cc1SC,YDFJADPUHORTFD-UHFFFAOYSA-N
-rxn:5:190195:225803:222417,CC(C)c1[nH]c(=O)ncc1-c1cc(CN(C)C2CCOCC2)ccc1-c1ccnc(OC2CCOCC2)c1,XAHUEQBOIFIIOE-UHFFFAOYSA-N
-rxn:5:190195:225833:227379,CN(Cc1ccc(-c2ccnc(N3CCCCC3)c2F)c(-c2cccnc2N2CCCC2)c1)C1CCOCC1,ALXLLKWJSRTYQF-UHFFFAOYSA-N
-rxn:5:190196:223006:223113,CN(Cc1ccc(-c2ccc(F)c(C3CCNCC3)c2)cc1-c1ccc2c(c1)C(C)(C)C(=O)N2)C1CCOCC1,RUQACQDPIADXDY-UHFFFAOYSA-N
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-rxn:5:190197:226768:227666,CSc1ccc(-c2cc(-c3ccc(C(C)=O)c(F)c3F)ccc2CN(C)C2CCOCC2)cc1C(F)(F)F,LPGBAEVBGRLJHH-UHFFFAOYSA-N
-rxn:5:190198:226366:223188,CNc1cc(C(F)(F)F)c(-c2cccc(-c3ccnc(N4CCCCC4)c3)c2CN(C)C2CCOCC2)cn1,PWRFEOOPUUHCLV-UHFFFAOYSA-N
-rxn:5:190198:227458:225868,CN1CCOc2cc(-c3cccc(-c4ccc(N5CCOCC5)c(F)c4)c3CN(C)C3CCOCC3)cnc21,AZSZUULGGIDJHH-UHFFFAOYSA-N
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-rxn:5:190264:225583:225886,CC1CCN(C(=O)Cc2ccc(-c3ccc4c(ccn4S(C)(=O)=O)c3)c(-c3cccc(C(=O)N4CCCC4)c3)c2)CC1,SLJAIODPBBQMMF-UHFFFAOYSA-N
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-rxn:5:190308:223140:227369,CC1CCCN(CCc2cc(-c3ccnc(C4CCCNC4)c3)ccc2-c2cc(F)ccc2OC2CC2)C1,JRVSSKFMMDFQTI-UHFFFAOYSA-N
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-rxn:5:190335:227769:227528,COC(=O)c1ccc(-c2cc(C(=O)N3CCCCC3C)cc(-c3cc([N+](=O)[O-])cnc3OC)c2OC)cc1F,IJDOZDQYIFJNHQ-UHFFFAOYSA-N
-rxn:5:190336:226150:227922,CCc1cc(OC)ccc1-c1cc(C(=O)N2CCCC(C)C2)cc(-c2cccc(SC3CCCC3)c2)c1OC,HUILTNHVIWFLGV-UHFFFAOYSA-N
-rxn:5:190336:226191:227933,CCc1ccc(OC)cc1-c1cc(C(=O)N2CCCC(C)C2)cc(-c2cc(C3CCCC3)ccc2F)c1OC,PAWHCGFSUDGQQU-UHFFFAOYSA-N
-rxn:5:190404:226921:226164,Cc1cc(C)c(C2CC2)cc1-c1ccc(C(=O)N2CCSC(c3ccccc3-c3ccc(N4CCCCC4)cc3)CC2)o1,KMTJXLATXUZHRK-UHFFFAOYSA-N
-rxn:5:190484:223146:223200,O=C(c1cccc(-c2cccc(C3CNCCO3)c2)c1)N1CCC(c2ccccc2-c2ccc(C3CCNC3)cc2)S(=O)(=O)CC1,YDVOZWQBDNFOBV-UHFFFAOYSA-N
-rxn:5:190484:225407:228582,CC(C)c1ccncc1-c1ccccc1C1CCN(C(=O)c2cccc(-c3ccc(C4CCCCCC4)cc3)c2)CCS1(=O)=O,VPAACMWABCQPNT-UHFFFAOYSA-N
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-rxn:5:190484:227823:226176,CC(C)(C)c1ccccc1-c1cccc(C(=O)N2CCC(c3ccccc3-c3ccncc3C3CCCCC3)S(=O)(=O)CC2)c1,TZBXHYYBHFZMRS-UHFFFAOYSA-N
-rxn:5:190484:227970:225671,CC(C)(C)c1cnccc1-c1cccc(C(=O)N2CCC(c3ccccc3-c3cc(C4CCCCC4)ncc3F)S(=O)(=O)CC2)c1,PTVUEGDUXZQSEQ-UHFFFAOYSA-N
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-rxn:5:190646:223054:223007,CCOC(=O)c1cnc2c(-c3ccc(C(C)N4CCC(O)C4)s3)cccc2c1-c1cc(F)cc(C2CCNCC2)c1,SKPIIIFFLCILMI-UHFFFAOYSA-N
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-rxn:5:190648:225607:223063,CCOC(=O)c1c(-c2ccc(C(C)N3CCCCC3)s2)nc2ccccc2c1-c1cc(F)nc(C2CCNCC2)c1,ZLPLFGNVCZYASX-UHFFFAOYSA-N
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-rxn:5:190649:223054:223006,CCOC(=O)c1cnc2cc(-c3ccc(C(C)N4CCC(O)C4)s3)ccc2c1-c1ccc(F)c(C2CCNCC2)c1,BUXAGEGUBPXCTE-UHFFFAOYSA-N
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-rxn:5:190651:223006:223054,CCOC(=O)c1cc(-c2ccc(F)c(C3CCNCC3)c2)c2nccc(-c3ccc(C(C)N4CCC(O)C4)s3)c2c1,MTUWGWCSZCYZFU-UHFFFAOYSA-N
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-rxn:5:190744:225834:225633,CCOC(=O)c1cnc2c(-c3cc(N4CCCCC4)ncc3F)c(C)ccc2c1-c1ccc(N2CCCCCC2)nc1,DBSWQOUTDDTASP-UHFFFAOYSA-N
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-rxn:5:193225:223061:226035,COc1ccc(C(F)(F)F)c(F)c1-c1ccc(-c2cc(C3CCNCC3)ncc2F)cc1C(=O)N1CCOCC1,NUXJWZJQZFZLHT-UHFFFAOYSA-N
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-rxn:5:193334:223146:226686,Cc1cnn(C2CCCCO2)c1-c1cccc(CN2CCOCC2)c1-c1cccc(C2CNCCO2)c1,HKNQECLGWBNRFX-UHFFFAOYSA-N
-rxn:5:193335:223065:226366,Fc1cc(N2CCNCC2)ccc1-c1cccc(-c2ccnc(N3CCCCC3)c2)c1CN1CCOCC1,LOZCGPLXSBIAJJ-UHFFFAOYSA-N
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-rxn:5:193468:226053:227536,CCOc1cc(-c2cccc(-c3ccc(F)c(OC(F)(F)F)c3F)c2C(=O)N2CCC[C@@H]2C)c(F)cc1F,YNDBFFJIOVAADN-AWEZNQCLSA-N
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-rxn:5:193506:223054:223378,CC(c1ccc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3cnc4c(c3)NCCO4)c2)s1)N1CCC(O)C1,APFGYPPAYONPDF-UHFFFAOYSA-N
-rxn:5:193506:225448:228540,Cc1ccc(OC2CCCC2)c(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3cccc4c3COC4)c2)c1,MLDKJUNQYTWJRL-UHFFFAOYSA-N
-rxn:5:193506:228103:223148,CC(C)Cc1ncc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3ccccc3C3CNCCO3)c2)cn1,YTPQCXPIDBZWSC-UHFFFAOYSA-N
-rxn:5:193598:226059:223285,CC1CN(C(=O)c2cc(-c3ccc(C(C)C)cc3C(C)C)ccc2-c2ccccc2NS(C)(=O)=O)CCO1,UOSWBKJSHQKZRY-UHFFFAOYSA-N
-rxn:5:193681:223201:225498,CN1CCC(Oc2cc(-c3ccccc3C3CCNC3)ccc2-c2cc(C3CCCCC3)ccc2F)CC1,TUABLGUSNNXGCB-UHFFFAOYSA-N
-rxn:5:193748:227998:226053,CC1CCCN(C(=O)c2cc(-c3ccc(F)cc3C3CC3)ccc2-c2ccc(F)c(OC(F)(F)F)c2F)C1,MHNQGNCQAOINHK-UHFFFAOYSA-N
-rxn:5:193750:225437:225886,CC1CCN(C(=O)c2cc(-c3cccc(CN4CCCCC4)c3)ccc2-c2ccc3c(ccn3S(C)(=O)=O)c2)CC1,KKWNVACVZWITPB-UHFFFAOYSA-N
-rxn:5:193752:226059:223183,CNS(=O)(=O)c1ccc(-c2cc(C(=O)N3CCCC(C)C3)ccc2-c2ccc(C(C)C)cc2C(C)C)c(C)c1,WTMASDWDXLBVEF-UHFFFAOYSA-N
-rxn:5:193755:226062:223284,CC1CCCN(C(=O)c2cccc(-c3cc(C(C)C)cc(C(C)C)c3)c2-c2ccc(NS(C)(=O)=O)cc2)C1,GLSBWWYXPLWZAM-UHFFFAOYSA-N
-rxn:5:193756:225818:226029,CCOc1c(F)c(F)c(-c2cc(-c3ccc(C(F)(F)F)cc3C3CC3)ccc2C(=O)N2CCCCC2C)c(F)c1F,DTIDDMGUBTUDPS-UHFFFAOYSA-N
-rxn:5:193756:226050:227940,CCc1cc(SC)cc(-c2cc(-c3c(F)cc(OC(F)(F)F)cc3F)ccc2C(=O)N2CCCCC2C)c1,NOGZHUGJQVZUFN-UHFFFAOYSA-N
-rxn:5:193756:226149:227052,COc1ccc(-c2ccc(C(=O)N3CCCCC3C)c(-c3ccc(SC(C)(C)C)cc3)c2)cc1C(C)(C)C,GCYIELCMIJTRBD-UHFFFAOYSA-N
-rxn:5:193807:227574:225453,COc1c(F)ccc(-c2c(CN3CCC(C)CC3)cccc2-c2cccc(SC3CCCCC3)c2)c1OC,UVUVAQCVZLSHCT-UHFFFAOYSA-N
-rxn:5:193809:225407:228193,CC1CCN(Cc2ccc(-c3ccc(C4CCCCCC4)cc3)cc2-c2cnn(C3CCCC3)c2)CC1,BBUZVDAKBMJAMN-UHFFFAOYSA-N
-rxn:5:193809:226064:227386,CC1CCN(Cc2ccc(-c3ccc(C4CCCCC4)cc3)cc2-c2cnn(C3CCCCC3)c2)CC1,KGBMNUUBWRVZBT-UHFFFAOYSA-N
-rxn:5:193809:227390:226064,CC1CCN(Cc2ccc(-c3ccnn3C3CCCCC3)cc2-c2ccc(C3CCCCC3)cc2)CC1,IFIQMESQDJVTQX-UHFFFAOYSA-N
-rxn:5:193866:223289:226059,CNS(=O)(=O)c1ccccc1-c1ccc(C2(N3CCC(=O)CC3)CC2)cc1-c1ccc(C(C)C)cc1C(C)C,INXQOZQRTBJBOK-UHFFFAOYSA-N
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-rxn:5:193868:225988:223135,CC1CN(C(=O)c2cc(-c3c(F)cc(C4OCCO4)cc3F)ccc2-c2cccnc2C2CCCNC2)CC(C)O1,DOSRLCMBWCRXFF-UHFFFAOYSA-N
-rxn:5:193868:227087:227091,Cc1cnc(C(C)(C)C)c(-c2ccc(-c3cncc(C4CCCC4)c3)c(C(=O)N3CC(C)OC(C)C3)c2)c1,BXIVVURSGNUVLS-UHFFFAOYSA-N
-rxn:5:193869:222420:223138,Cc1cc(-c2ccccc2S(N)(=O)=O)c(S(=O)(=O)N2CCCCC2)cc1-c1ccnc(C2CCNCC2)c1,VXGLAJJMAIIWPX-UHFFFAOYSA-N
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-rxn:5:193967:228162:225976,CCOc1c(F)cccc1-c1ccc(CN2CCC3(CC2)OCCO3)c(-c2ccnc(N3CCOCC3)c2F)c1,KKVPIODXJPYNQV-UHFFFAOYSA-N
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-rxn:5:193968:227688:227543,COC(=O)c1cc(-c2ccc(-c3cc([N+](=O)[O-])ccc3OC)cc2CN2CCC3(CC2)OCCO3)ccc1F,INVQFGZTESAMOH-UHFFFAOYSA-N
-rxn:5:193968:228824:226032,COc1cc(-c2ccc(-c3c(F)cc(C)cc3F)cc2CN2CCC3(CC2)OCCO3)c(F)c(C(F)(F)F)c1,WJPYBXDURPZAJP-UHFFFAOYSA-N
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-rxn:5:194792:228450:223442,CNc1ccc(-c2ccc(N3C(=O)C4C(c5ccc(-c6cc(C)c(F)c(F)c6F)cc5)OC5(C(=O)c6ccccc6C5=O)C4C3=O)cc2)cc1,ICFNRMPQGDHJKL-UHFFFAOYSA-N
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-rxn:5:227933:178295:227076,CCc1ccc(OC)cc1-c1ccc(-c2cc(C(C)CC)ccc2F)cc1C1(C(=O)OC)CCC(=O)CC1,GATFANBYCZGSSE-UHFFFAOYSA-N
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-rxn:4:174406:223872,CCN(C(=O)c1cccc(-c2ccc(C3(C(=O)OC)CC(OC)(OC)C3)cc2)c1)C1CCCCC1,QBXMMVOUMGAJPO-UHFFFAOYSA-N
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-rxn:4:174407:224496,CCN1CCN(Cc2cccc(-c3cccc(C4(C(=O)OC)CC(OC)(OC)C4)c3)c2)CC1,KOFNNJIWHWSWEU-UHFFFAOYSA-N
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-rxn:4:175772:224258,CC1CCCCN1C(=O)c1ccc(-c2cccc([Si](C)(C)C)c2OS(=O)(=O)C(F)(F)F)c(Cl)c1,OZIREAMGGHQMCX-UHFFFAOYSA-N
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-rxn:4:176109:223786,CN1CCN(CCCOc2ccc(-c3ccc(Cl)c(Cc4ccc(O[C@H]5CCOC5)cc4)c3)cc2Cl)CC1,DMNADDUXTWKGDH-NDEPHWFRSA-N
-rxn:4:176147:223894,CN1CCN(CCCOc2cccc(-c3ccc(S(=O)(=O)Oc4ccc(C5SCCCS5)cc4)cc3)c2)CC1,YWWZGDXOAGVJBX-UHFFFAOYSA-N
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-rxn:4:176322:228599,CCC1(CC)CC(C)(C)c2c1cc1c(c2-c2ccc(OC)c(C)c2)C(C)(C)CC1(CC)CC,CTOFPZYCXKMQQX-UHFFFAOYSA-N
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-rxn:4:176902:223577,COC(=O)c1cc(OC)c(F)c(-c2ccc(OC3CCN(C(=O)OC(C)(C)C)CC3)cc2)c1,QMUIKMGTIWWEQK-UHFFFAOYSA-N
-rxn:4:177461:223637,CSc1c(F)ccc(OC(C)C)c1-c1ccccc1C1CCCN(C(=O)OC(C)(C)C)C1,IPOMUKFEDNRGTO-UHFFFAOYSA-N
-rxn:4:177834:223787,COC(=O)C1CC(c2ccc(-c3ccc(OCCCN4CCN(C)CC4)c(F)c3)cc2)C1,QKTCGWNRPPIXIL-UHFFFAOYSA-N
-rxn:4:178282:223589,Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1c(C)cc(OCC2(C)COC2)cc1C,LAMHFLVFWLWIMD-UHFFFAOYSA-N
-rxn:4:178384:223587,COc1cc(COc2ccc(F)c(-c3c(C4CCCCC4)cc(C4CCCCC4)cc3C3CCCCC3)c2F)cc(OC)c1,MGZHIBWRZVLBBT-UHFFFAOYSA-N
-rxn:4:178384:228509,CC(C)c1ccc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)cc1,NJJUEIGHYGWOFB-UHFFFAOYSA-N
-rxn:4:178384:228800,CSc1ccc(F)cc1-c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1,QUQJORJTOGNHNA-UHFFFAOYSA-N
-rxn:4:178384:228827,Cc1cc(F)c(F)cc1-c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1,LRMOJXQYILFFCJ-UHFFFAOYSA-N
-rxn:4:178384:229029,Cc1cc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)ccc1F,PESPFHDACTZGHZ-UHFFFAOYSA-N
-rxn:4:178588:223917,CN(C(=O)c1cc(F)cc(-c2ccc3c(c2)CCC(O[Si](C)(C)C(C)(C)C)C3)c1)C1CCCCC1,WXGCIPXNGAEHNO-UHFFFAOYSA-N
-rxn:4:178597:225225,Cc1ccccc1-c1ncc(-c2ccc(OC(=O)C3OC4OC(C)(C)OC4C4OC(C)(C)OC34)cc2)c(Cl)n1,XXEGLIYYEVRNOJ-UHFFFAOYSA-N
-rxn:4:178597:225640,CC1CCCCN1c1cc(-c2ccc(OC(=O)C3OC4OC(C)(C)OC4C4OC(C)(C)OC34)cc2)ccn1,YVJSMADCTUCRAF-UHFFFAOYSA-N
-rxn:4:178597:226218,Cc1ccc2ccc(F)c(-c3ccc(OC(=O)C4OC5OC(C)(C)OC5C5OC(C)(C)OC45)cc3)c2n1,SRVFDWRXJFZBFE-UHFFFAOYSA-N
-rxn:4:178597:229294,Cc1cc(-c2ccc(OC(=O)C3OC4OC(C)(C)OC4C4OC(C)(C)OC34)cc2)co1,QNHVORDRMPXAHS-UHFFFAOYSA-N
-rxn:4:179031:223536,CCOc1cc(-c2cc(F)c(F)c(N3CCN(C(=O)OC(C)(C)C)CC3)c2)c(F)cc1Cl,AZGFZGBLMXRFDT-UHFFFAOYSA-N
-rxn:4:180078:223608,CC(C)(C)C(=O)c1cccc(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCOCC3)c2)c1,SUYSXUFZVJLFND-UHFFFAOYSA-N
-rxn:4:180087:223522,CC(C)(C)[Si](C)(C)OC1CCN(c2cc(F)cc(-c3cc(C4CC4)cc(C4CC4)c3)c2)CC1,GLXYTJJQBKLMPZ-UHFFFAOYSA-N
-rxn:4:180269:223712,COc1ccc(-c2ccc(OC)c(C34CC5CC(CC(C5)C3)C4)c2)cc1C1SCCCS1,GIURAXDQHPZDIV-UHFFFAOYSA-N
-rxn:4:180291:223650,COc1ccc(-c2ccccc2N2CCN(C(=O)OC(C)(C)C)CC2)c(C2OCCCO2)c1,FVOJKPWXDMMPPB-UHFFFAOYSA-N
-rxn:4:180509:222456,COc1ccc(C=C2C(=O)OC(C)(C)OC2=O)c(-c2cccc(NC(=O)c3ccc(C(F)(F)F)cc3)c2)c1,AOSOEOORTCBCAC-UHFFFAOYSA-N
-rxn:4:180815:224960,COc1ccc(-c2ccc(OC)c(C34CC5CC(CC(C5)C3)C4)c2)cc1OC1CCCC1,JMYIFTBCKKFSHQ-UHFFFAOYSA-N
-rxn:4:181924:223838,Cc1c(F)cc(-c2ccc(N3CCN(S(=O)(=O)N(C)C)CC3)cc2)c(C2OCCO2)c1F,IPXHGEULRALLGT-UHFFFAOYSA-N
-rxn:4:182396:223568,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(Cl)c(-c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)cnc21,XXBRTYLVIMKBFV-UHFFFAOYSA-N
-rxn:4:183270:223489,Cc1cc2c(cc1-c1ccc(S(=O)(=O)N3CCC(O[Si](C)(C)C(C)(C)C)CC3)cc1)C(C)(C)CCC2(C)C,HWCSYSJQPWZVDZ-UHFFFAOYSA-N
-rxn:4:183272:226778,COc1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCO3)c(F)c(F)c1OC,LYBLKWFORXJMTL-UHFFFAOYSA-N
-rxn:4:183272:228424,COc1cc(F)c(Cl)cc1-c1ccc2c(c1)OCCOCCOCCOCCOCCO2,QUNVOMFMFYTDBL-UHFFFAOYSA-N
-rxn:4:183273:223765,Cc1ccc(-c2nc(-c3ccc(-c4ccc5c(c4)OCCOCCOCCOCCOCCOCCO5)cc3)no2)cc1,ZCEZDYQFLXTWSY-UHFFFAOYSA-N
-rxn:4:183273:225656,CC1CCCCN1c1cncc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,LSQWVPQWGIJFEK-UHFFFAOYSA-N
-rxn:4:183273:228103,CC(C)Cc1ncc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cn1,UXRMIWPAYHCNPZ-UHFFFAOYSA-N
-rxn:4:183273:228682,CCCc1ncncc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,WECVPCRWZBSMIE-UHFFFAOYSA-N
-rxn:4:183273:228708,c1ncc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c(C2CC2)n1,ZRMPMIQUNPGRDS-UHFFFAOYSA-N
-rxn:4:183274:227407,CC(C)(C)c1ncc(Cl)cc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCOCCO2,WKHOVDFPJUYUQJ-UHFFFAOYSA-N
-rxn:4:183274:228430,CSc1cc(F)c(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCOCCO3)c(F)c1,UKRZTAOMHJIAHA-UHFFFAOYSA-N
-rxn:4:183274:228708,c1ncc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCOCCO3)c(C2CC2)n1,FWLCZAXLQCYNFV-UHFFFAOYSA-N
-rxn:4:183625:223892,COC(=O)C(C)(C)COc1ccc(-c2ccc(OCCCN3CCN(C)CC3)cc2)cc1C#N,QAKNIWFBMFMLFI-UHFFFAOYSA-N
-rxn:4:183668:224720,CC(C)(C)OC(=O)C(C#N)C(=O)c1ccc(-c2cn(C(=O)OC(C)(C)C)nc2C2CC2)cc1,QOCQQEKTWNRSAE-UHFFFAOYSA-N
-rxn:4:183733:223839,COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1ccc(S(=O)(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)cc1,FZZBJOCNVDDWOI-UHFFFAOYSA-N
-rxn:4:183770:222813,CC(C)(C)OC(=O)Nc1ncc(-c2ccc(OC(F)(F)F)cc2OCC(=O)N2CCCCC2)cc1Cl,WSSNBDAUUCWVGB-UHFFFAOYSA-N
-rxn:4:183823:222911,COC(=O)c1cc(NC(C)=O)cc(-c2ccc(Cl)c(CN(C(=O)OC(C)(C)C)C3CC3)c2)c1,HSVAUYAKGOBKFQ-UHFFFAOYSA-N
-rxn:4:183889:222800,Cc1cc(-c2ccc(C(=O)N3CCC(CSCc4ccco4)CC3)o2)cc(C)c1S(=O)(=O)NC(C)C,OCDBMUOMOBQWPI-UHFFFAOYSA-N
-rxn:4:183894:224762,O=C(c1ccc(-c2cccc(F)c2OCCCN2CCC(C(F)(F)F)CC2)cc1F)N1CCOCC1,MUVRMKVCQNUCPA-UHFFFAOYSA-N
-rxn:4:183915:224704,CC1CCN(CCOc2ccc(OC(F)(F)F)cc2-c2cc(F)c(F)c(N3CCC(C)CC3)c2)CC1,SNEUUMUEBODJHF-UHFFFAOYSA-N
-rxn:4:183928:225395,CC(c1ccc(-c2cc(C3CC3)cc(C(C)(C)C)c2)cc1)N(C(=O)OC(C)(C)C)C1CC1,DESMSXCYWPCHBU-UHFFFAOYSA-N
-rxn:4:183960:223078,CCNS(=O)(=O)c1ccc(-c2ccc(OCC3CN(C(=O)OC(C)(C)C)C3)cc2C)c(C)c1,BTCMQWNXYJGRFB-UHFFFAOYSA-N
-rxn:4:183984:223075,Cc1cc(-c2ccc(NS(=O)(=O)C3CC3)cc2)ccc1CN(C(=O)OC(C)(C)C)C(C)C,LGEFYGHNAUWRAS-UHFFFAOYSA-N
-rxn:4:183987:223536,COc1ccc(-c2cc(F)c(F)c(N3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1C=NOC(=O)c1ccc(C(C)(C)C)cc1,JZXVNPQZPFKKIN-UHFFFAOYSA-N
-rxn:4:183995:226058,Cc1cc(CN(C(=O)OC(C)(C)C)C2CCC2)cc(-c2c(C(C)C)cccc2C(C)C)c1,ZWYLIWVARZDPIN-UHFFFAOYSA-N
-rxn:4:184027:223185,CC(C)(C)OC(=O)N1CCC(COc2ccc(-c3cnc(C4CNCCO4)nc3)cc2F)CC1,DWQIQZVVJFZELT-UHFFFAOYSA-N
-rxn:4:184031:223258,COC(=O)Nc1cccc(-c2cc(F)cc(OCC3CCCN(C(=O)OC(C)(C)C)C3)c2)c1,BNMIAHAPMCEXME-UHFFFAOYSA-N
-rxn:4:184054:223189,CC(C)CS(=O)(=O)C1CCN(C(=O)Cc2ccc(-c3ccc(NS(C)(=O)=O)cc3F)cc2)CC1,NBDLFTLWJIYSTR-UHFFFAOYSA-N
-rxn:4:184066:222466,CC(C)(C)OC(=O)N(Cc1cccc(Cl)c1-c1cc(C2CCCCC2)nc(C2CCNCC2)c1)C1CCCCC1,CLNBYSSMUVLYME-UHFFFAOYSA-N
-rxn:4:184070:226127,CCOc1ccc(C(C)C)cc1-c1ccc(C2(C(=O)OC)CCN(C(=O)OC(C)(C)C)C2)c(C)c1,WDKGPMVDIQOGNB-UHFFFAOYSA-N
-rxn:4:184072:224119,COc1ccc(OCc2ccccc2)cc1-c1ccc(S(=O)(=O)CC2CCCN(C(=O)OC(C)(C)C)C2)cc1,ZJRNVTHLERDAHL-UHFFFAOYSA-N
-rxn:4:184084:226896,COCn1cc(-c2c(C)cccc2OCC2CCN(C(=O)OC(C)(C)C)CC2)c(C(F)(F)F)n1,KUGBDURURWVXEJ-UHFFFAOYSA-N
-rxn:4:184094:224476,CC(C)c1ccc(CN(C(=O)c2ccccc2-c2ccc3c(c2)ncn3C2CCCCC2)C2CCS(=O)(=O)C2)cc1,HXVLIWLCKKZDFC-UHFFFAOYSA-N
-rxn:4:184096:227984,COc1ccc(-c2ccc(CN(C(=O)OC(C)(C)C)C3CCC(C)(C)CC3)cc2)c(C)c1C,JLNZPESUNQXJJZ-UHFFFAOYSA-N
-rxn:4:184096:229087,CC(=O)c1ccsc1-c1ccc(CN(C(=O)OC(C)(C)C)C2CCC(C)(C)CC2)cc1,SCNDKHXSBWKDHD-UHFFFAOYSA-N
-rxn:4:184099:226105,CC(c1ccc(-c2ccc(COC(C)(C)C)cc2)cc1)N(C(=O)OC(C)(C)C)C1CCC(C)(C)CC1,BVKSZRWDYOZZEB-UHFFFAOYSA-N
-rxn:4:184099:228182,CC(c1ccc(-c2cccc(CC(F)F)c2)cc1)N(C(=O)OC(C)(C)C)C1CCC(C)(C)CC1,HFWVORRMOWHJKE-UHFFFAOYSA-N
-rxn:4:184134:224767,CCOC(=O)c1c(-c2cccc(C(=O)N3CCOCC3)c2F)c2ccccc2n1C(=O)OC(C)(C)C,HYDQOSQMLAFEEB-UHFFFAOYSA-N
-rxn:4:184181:224883,CC(c1ccc(-c2ccc(CN(C(=O)OC(C)(C)C)C(C)C)c3ccccc23)cc1)N1CCCCC1,JTTCJVHADQROMU-UHFFFAOYSA-N
-rxn:4:184208:224962,CC(C)(C)OC(=O)N(Cc1ccc(-c2ccccc2COC2CCOCC2)c2ccccc12)C1CCCC1,QJYSWZYBSGPGGL-UHFFFAOYSA-N
-rxn:4:184275:225287,CC(C)(C)OC(=O)c1cnc(Cl)cc1-c1cccc(C#N)c1OC(C(F)(F)F)C(F)(F)F,LNFRYNRVYDTBLD-UHFFFAOYSA-N
-rxn:4:184410:224379,CCOC(=O)c1cc(C(F)F)cc(C#N)c1-c1ccccc1S(=O)(=O)N1CCN(C)CC1,SXKXNUBHYJMQPY-UHFFFAOYSA-N
-rxn:4:184464:222803,COC(=O)Cc1cc(-c2ccc(C3CCNC3)c(C(F)(F)F)c2)cc(C(F)(F)F)c1C#N,CPCKFUXWZPFDOQ-UHFFFAOYSA-N
-rxn:4:184712:223788,COC(=O)c1nc(-c2ccc(OC3CN(C(=O)OC(C)(C)C)C3)cc2)ccc1OCC(C)C,BGEAIQLTQJUEGH-UHFFFAOYSA-N
-rxn:4:184843:224718,COC(=O)c1cc(OC2CCOC2)c(-c2ccc(OCCN3CCOCC3)nc2)cc1[N+](=O)[O-],JIQHDNFLBDDYAA-UHFFFAOYSA-N
-rxn:4:184890:223671,COC(=O)C1CN(Cc2cc(-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)ccc2C(F)(F)F)C1,AVKSZHZHWLBKCX-UHFFFAOYSA-N
-rxn:4:184908:222814,COc1ccc(OCC(=O)N2CCCC2)c(-c2ccnc(NC(=O)OC(C)(C)C)c2F)c1,WERCEXILJSCHMF-UHFFFAOYSA-N
-rxn:4:184918:223593,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccccc3OCCCN3CCC(F)(F)C3)cc2Cl)CC1,XHVWULRZSROJDC-UHFFFAOYSA-N
-rxn:4:185004:224256,CC1CCCCN1C(=O)c1cc(-c2cc(C(F)(F)F)ccc2OCC(=O)N2CCCCC2)ccc1Cl,DTBMEZMKJKFBSE-UHFFFAOYSA-N
-rxn:4:185034:225353,COC(=O)c1ccc(-c2cccc(OC[C@@H]3CCCN(CC(F)F)C3)c2)cc1C(F)(F)F,ADOZZHTWSODWCS-OAHLLOKOSA-N
-rxn:4:185089:222639,COc1cc(C(=O)N(C(C)C)C(C)C)ccc1-c1ccc([C@H](C)NC(=O)OC(C)(C)C)cc1,HGYUKBGJUIXGHW-IBGZPJMESA-N
-rxn:4:185092:222718,COC1CCN(CCOc2cccc(-c3cc(S(=O)(=O)N4CCNCC4)ccc3C)c2)CC1,SBBKATRYWCYGLR-UHFFFAOYSA-N
-rxn:4:185108:224771,Cc1ccc(-c2cc(S(=O)(=O)N3CCCC3)ccc2OCC2CC2)cc1S(=O)(=O)N1CCCC1,BZFQKQQTIASJDP-UHFFFAOYSA-N
-rxn:4:185111:223572,COC(=O)C1CCN(C(=O)Cc2ccc(F)cc2-c2ccc(S(=O)(=O)N3CCC(C)CC3)c3ccccc23)CC1,IQURYRBEESSYHR-UHFFFAOYSA-N
-rxn:4:185111:226547,COC(=O)c1cc(-c2cc(F)ccc2CC(=O)N2CCC(C(=O)OC)CC2)ccc1OC,VUXLCNYHFAVHLM-UHFFFAOYSA-N
-rxn:4:185113:224061,CCCC1CCC(c2ccc(-c3ccc(S(=O)(=O)CC(=O)N4CCCC(C(F)(F)F)C4)cc3)c(F)c2)CC1,UEANVXGXBWPMHW-UHFFFAOYSA-N
-rxn:4:185126:225209,Cc1nc(N2CCCCC2C)ncc1-c1cccc([N+](=O)[O-])c1CO[Si](C)(C)C(C)(C)C,HZTKQTXSRBYQEH-UHFFFAOYSA-N
-rxn:4:185156:223952,COC(=O)c1cc(-c2ccc(OCCN3CCN(C)CC3)c(Cl)c2)ccc1CN1CCC(C(F)(F)F)CC1,XNIICPUURGPPDI-UHFFFAOYSA-N
-rxn:4:185238:223740,CCN(C(=O)Cc1ccc(-c2cc(O[Si](C)(C)C(C)(C)C)cc3ccccc23)cc1)C1CCCCC1,CWSCRXJNXIPMRW-UHFFFAOYSA-N
-rxn:4:185244:222965,CCCC(=O)NCc1ccc(-c2cccc(C(=O)N(CC(C)C)C3CCS(=O)(=O)C3)c2)cc1,XBGWVKXKBAYNEF-UHFFFAOYSA-N
-rxn:4:185244:225124,CC(C)CN(C(=O)c1cccc(-c2ccnc(OCC3CCOCC3)c2)c1)C1CCS(=O)(=O)C1,LEUGKAVJWIXKNC-UHFFFAOYSA-N
-rxn:4:185258:224250,CC(C)CN(Cc1cccc(-c2cc(C(=O)N3CCCCC3C)ccc2F)c1)C1CCCC1,XTTDFEQPKKMAAM-UHFFFAOYSA-N
-rxn:4:185285:225181,O=C(c1ccc(-c2cccc(CN3CCOCC3)c2F)cc1)N(Cc1ccc(Cl)cc1)C1CCS(=O)(=O)C1,IVEPXHDLTPIOSJ-UHFFFAOYSA-N
-rxn:4:185287:224258,CC1CCCCN1C(=O)c1ccc(-c2ccc(C(=O)N(Cc3cccc(Cl)c3)C3CCS(=O)(=O)C3)cc2)c(Cl)c1,GDBMCPWKJSSVSW-UHFFFAOYSA-N
-rxn:4:185303:226127,CCOc1ccc(C(C)C)cc1-c1ccc(OCC)c(S(=O)(=O)N(C)C2CCCCC2)c1,MIZMOCMOIWSJEQ-UHFFFAOYSA-N
-rxn:4:185315:224834,CN(C)S(=O)(=O)n1cc(-c2ccc(C3CC3)c(C3CN(C(=O)OC(C)(C)C)C3)c2)c(C(F)(F)F)n1,SFDJEROQNZRIFK-UHFFFAOYSA-N
-rxn:4:185353:228195,Cc1nn(C(C)(C)C)cc1-c1ccc(CC(=O)N2CCC(S(=O)(=O)C(C)(C)C)C2)cc1,DWRHELZGCMRPRN-UHFFFAOYSA-N
-rxn:4:185376:222987,Cc1nc(C2CCNCC2)ccc1-c1ccccc1S(=O)(=O)N1CCCC(S(=O)(=O)CC(C)C)C1,OCJKXTXNFMFZPH-UHFFFAOYSA-N
-rxn:4:185403:223831,COc1cc(-c2ccc(OC)c(S(=O)(=O)N3CCC(C)CC3)c2)cc(C2CCCN(C(=O)OC(C)(C)C)C2)c1,NWRXXQFDOUIFJK-UHFFFAOYSA-N
-rxn:4:185421:224070,CC(C)(C)OC(=O)N1CCOC(c2ccc(-c3cncc(-c4ccc(C(C)(C)C)cc4)c3)c(C3CC3)c2)C1,SIBGWSLDBKCQNZ-UHFFFAOYSA-N
-rxn:4:185428:225324,CC(C)CCn1cc(-c2cc(C(C)(C)C)ccc2OCC(=O)N2CCC(C)CC2)c(C(F)(F)F)n1,WHSGXDDPOFTGOF-UHFFFAOYSA-N
-rxn:4:185428:225350,COC(=O)c1cc(C(F)(F)F)ccc1-c1cc(C(C)(C)C)ccc1OCC(=O)N1CCC(C)CC1,YMNOHMNNPOOPKJ-UHFFFAOYSA-N
-rxn:4:185428:225833,CC1CCN(C(=O)COc2ccc(C(C)(C)C)cc2-c2ccnc(N3CCCCC3)c2F)CC1,SZGMZPPXAIPONK-UHFFFAOYSA-N
-rxn:4:185428:226176,CC1CCN(C(=O)COc2ccc(C(C)(C)C)cc2-c2ccncc2C2CCCCC2)CC1,UTVUHZPZJUCOSJ-UHFFFAOYSA-N
-rxn:4:185438:223228,CCC(=O)Nc1ccc(-c2ccc(S(=O)(=O)N3CCC(O[Si](C)(C)C(C)(C)C)CC3)cc2)cc1,QPJFIRWWKSVBGZ-UHFFFAOYSA-N
-rxn:4:185442:222817,COc1ccc(S(=O)(=O)NC2CC2)cc1-c1cc(C2COC2)cc(C2CCN(C(=O)OC(C)(C)C)CC2C)c1,WIHZOBRPSSNOSL-UHFFFAOYSA-N
-rxn:4:185465:224566,COC(=O)c1cc2sc(-c3ccc(C4(C(=O)OC)CCCC4)cc3)cc2n1C(=O)OC(C)(C)C,CCBRYYCXKLBPIS-UHFFFAOYSA-N
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-rxn:4:185492:224420,COC(=O)c1cccc2c1c(-c1cc3c(cc1C)C(C)(C)CCC3(C)C)cn2C(=O)OC(C)(C)C,JWYCMLBFQPRRKS-UHFFFAOYSA-N
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-rxn:4:187422:222747,COC(=O)c1cc(-c2ccc(C(=O)NCC3CCCO3)cc2)cc(N(C)C2CCCC2)c1C,SCCMUZIJAYEHHB-UHFFFAOYSA-N
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-rxn:4:187595:222919,CC(C)(C)NS(=O)(=O)c1ccc(-c2cc(F)cc(C3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1,HJQNAXDZDCJTSC-UHFFFAOYSA-N
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-rxn:4:194649:224752,Cc1cc(S(=O)(=O)N2CCCC2)ccc1-c1ccc2c(c1)C=C(C(=O)N1CCOCC1)C=CO2,IMOGVNWXGOZXKV-UHFFFAOYSA-N
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-rxn:4:199673:224817,COc1ccc(-c2ccccc2S(=O)(=O)N2CCOCC2)cc1CCC(=O)N1CC(N2C(=O)CCC2=O)C1,GHBHNPRKCCAQPW-UHFFFAOYSA-N
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-rxn:4:199693:224396,Cc1cc(-c2cc(C#N)ccc2OC2CCN(C(=O)OC(C)(C)C)CC2)ccc1S(=O)(=O)N1CCOCC1,HZKHOYJYPROMFQ-UHFFFAOYSA-N
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-rxn:4:199846:225566,CCOc1ccc(-c2ccc(OCC3(C)COC3)cc2)cc1S(=O)(=O)N1CCN(c2ccccc2OC)CC1,ACKGKNDOEMTITQ-UHFFFAOYSA-N
-rxn:4:199851:224666,CN1CCN(Cc2cc(-c3ccc(-c4ccc(C=C5SC(=S)N(CCCN6CCOCC6)C5=O)o4)cc3)ccc2F)CC1,IVOONXGFUOGNSY-UHFFFAOYSA-N
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-rxn:4:199879:223239,C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1cc(-c2cncc(C3CCCN3)c2)cc(C(C)(C)C)c1,YYAMAHPIBHWGTR-XJQHNOHDSA-N
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-rxn:4:202328:227948,COC1CCN(C2CCN(S(=O)(=O)c3ccccc3-c3cc(C4CC4)cnc3C)CC2)CC1,DIRMUIXXUJAFBF-UHFFFAOYSA-N
-rxn:4:202328:227959,COC1CCN(C2CCN(S(=O)(=O)c3ccccc3-c3cc(C)cnc3C3CC3)CC2)CC1,XSFBRIKDQGHTNI-UHFFFAOYSA-N
-rxn:4:202329:225005,COc1cc(C)c(-c2cccc(C(C)N3CCOCC3)c2)cc1S(=O)(=O)N1CCN(c2ccc(C)cc2)CC1,WDRGMSYMJOUFLK-UHFFFAOYSA-N
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-rxn:4:203895:224405,CCS(=O)(=O)N1CCN(c2ccccc2-c2cc(F)c(F)cc2S(=O)(=O)N2CCCC2)CC1,DQTYDIFLUPCZJE-UHFFFAOYSA-N
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-rxn:4:204055:223180,CONC(=O)c1ccc(-c2ccc(C(=O)N3CCCN(C4CCSC4)CC3)o2)cc1F,LVCRFBBMFVXXAV-UHFFFAOYSA-N
-rxn:4:204055:226843,O=C(c1ccc(-c2ccc(C(=O)C(F)(F)F)nc2)o1)N1CCCN(C2CCSC2)CC1,AWLIPCSHAUBGJG-UHFFFAOYSA-N
-rxn:4:204099:224821,O=S(=O)(c1cc(-c2ccc(CN3CCOCC3)c(N3CCOCC3)c2)ccc1F)N1CCCC1,VUHIAUWMORBGRU-UHFFFAOYSA-N
-rxn:4:204109:228088,CCCSc1ccc(-c2ccccc2S(=O)(=O)N2CCC(N3C(=O)COCC3=O)CC2)cn1,ZCWXIUAZAIIQGU-UHFFFAOYSA-N
-rxn:4:204109:228942,O=C1COCC(=O)N1C1CCN(S(=O)(=O)c2ccccc2-c2c(F)cc(Cl)cc2F)CC1,LKWYLEHBWJAOEN-UHFFFAOYSA-N
-rxn:4:204112:225193,N#Cc1cc(-c2ccc(CN3CCCC3)c(N3CCCCC3)c2)ccc1C1COCCO1,CGZQKIGYYWYIBA-UHFFFAOYSA-N
-rxn:4:204137:226215,CO/N=C1\CCc2cc(-c3ccc(CN4CCC(F)(F)CC4)c(N4CCOCC4)c3)ccc21,LWWLFOQLJFVRBK-RMLRFSFXSA-N
-rxn:4:204154:224313,Cc1cc(-c2ccc(Cl)c(C(=O)N3CCN(C)CC3)c2)c(S(=O)(=O)N2CCN(c3ccccc3)CC2)cc1C,LOSXHFMPXNBXBP-UHFFFAOYSA-N
-rxn:4:204170:223185,CC1CCCCN1Cc1ccc(-c2cnc(C3CNCCO3)nc2)cc1N1CCCCC1,VIILFWPPYVQCPE-UHFFFAOYSA-N
-rxn:4:204174:223882,Cc1ccc(N2CCN(S(=O)(=O)c3cc(C)c(-c4cc5c(C)cccc5n4C(=O)OC(C)(C)C)cc3C)CC2)cc1Cl,IBSLKCMPUPASEW-UHFFFAOYSA-N
-rxn:4:204507:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2nc3c(s2)CN(C(=O)OC(C)(C)C)CC3)cc1,VKORRMNPDRAPQS-UHFFFAOYSA-N
-rxn:4:204544:223641,CCc1cc2c(cc1F)cc(-c1ccc3c(n1)N(C(=O)OC(C)(C)C)CCO3)n2C(=O)OC(C)(C)C,LKCBFHCSMRKWPF-UHFFFAOYSA-N
-rxn:4:204553:223592,Cc1nn(C(=O)OC(C)(C)C)c2ccc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)cc3Cl)cc12,GVAPNTADRNYPRA-UHFFFAOYSA-N
-rxn:4:204696:222431,COC(=O)C1=C(C)N=C2SCCC(=O)N2C1c1ccccc1-c1ccc(S(=O)(=O)Nc2cccc3ccccc23)cc1,HPATXUIZZUVDLK-UHFFFAOYSA-N
-rxn:4:204700:223754,CC1CCN(CCCOc2ccc(-c3ccc(C(=O)N4CC(N5C(=O)C6CC=CCC6C5=O)C4)o3)cc2Cl)CC1,PVGVDIOXESWPJT-UHFFFAOYSA-N
-rxn:4:204739:222465,CCC(C)N1C(=O)C(=C2C(=O)N(CC)c3ccc(-c4cc(C5CCCCC5)nc(C5CCCNC5)c4)cc32)SC1=S,LREPOPSMGQCNRC-UHFFFAOYSA-N
-rxn:4:204776:222759,Cc1cc(NC(=O)OC(C)(C)C)cc(-c2ccc(N3C(=O)N(c4cccc(C(F)(F)F)c4)C4CS(=O)(=O)CC43)cc2)c1,VOBNGWDDMVMTFG-UHFFFAOYSA-N
-rxn:4:204780:225717,COCCOCc1ccc(F)cc1-c1ccc(S(=O)(=O)N2CC(N3CC4CCCC4C3)C2)cc1,XEQCBJQESGWXRK-UHFFFAOYSA-N
-rxn:4:204796:226896,COCn1cc(-c2ccc(N3C=C(C(=O)N4CCCC4)S(=O)(=O)c4ccc(Cl)cc43)cc2)c(C(F)(F)F)n1,NPZJHWNWNGDWIN-UHFFFAOYSA-N
-rxn:4:204799:222896,CC(C)(C)OC(=O)NCc1ccc(-c2ccc(N3C=C(C(=O)N4CCCC4)S(=O)(=O)c4ccc(F)cc43)cc2)s1,IAAWHWWXNDSTJS-UHFFFAOYSA-N
-rxn:4:204834:223953,COCCN1CCN(c2cc(F)cc(-c3cccc(N4C=C(C(=O)N5CCCCC5)S(=O)(=O)c5ccc(Cl)cc54)c3)c2)CC1,KDDQXOKPRJMGSY-UHFFFAOYSA-N
-rxn:4:204845:223815,Cc1cc(C)cc(N2C(=O)N(Cc3ccc(-c4ccc(Cl)c(CN5CCC6(CC5)OCCO6)c4)cc3F)C3CS(=O)(=O)CC32)c1,IHCFSCLKZLAMIJ-UHFFFAOYSA-N
-rxn:4:204869:223644,CCOC(=O)C1CCCN(C(=O)c2ccc(-c3ccc(N4C=C(C(=O)N5CCCCC5)S(=O)(=O)c5ccc(Cl)cc54)cc3C)cc2)C1,LUONVHYUUTXKFA-UHFFFAOYSA-N
-rxn:4:205957:223777,CC(C)(C)OC(=O)N1CCc2c(ccc(-c3ccc(N4CC(F)(F)C4)c([N+](=O)[O-])c3)c2F)C1,JBVXDJNVUZWOIR-UHFFFAOYSA-N
-rxn:4:206168:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3cncc(OC4CCOCC4)n3)c2)CC1,JCBKGFNCAAIGKZ-UHFFFAOYSA-N
-rxn:4:206432:223830,CCN1CCN(S(=O)(=O)c2cc(-c3cncc(S(=O)(=O)N4CCCC4)c3Cl)ccc2C)CC1,JNDSGKDFQJAYEE-UHFFFAOYSA-N
-rxn:4:206449:223650,CC(C)(C)OC(=O)N1CCN(c2ccccc2-c2cnc(C(=O)N3CCOCC3)c(F)c2)CC1,KBGJWHDOFGITMT-UHFFFAOYSA-N
-rxn:4:206640:223683,CC(C)(C)OC(=O)N1CCC(Oc2ncc(-c3cccc(N4CCCC(F)(F)C4)c3C#N)cn2)C1,VWEGYVNQUGMKJL-UHFFFAOYSA-N
-rxn:4:206693:223646,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3ccc(CN4CCC(F)(F)CC4)cn3)cc2)C1,VKZBZGSFJCJFNG-UHFFFAOYSA-N
-rxn:4:206956:222675,COc1cc(-c2cccc(S(=O)(=O)N3CCN(C)CC3)c2)ccc1NC(=O)OC(C)(C)C,XTQFJKLDGJHVNV-UHFFFAOYSA-N
-rxn:4:206983:224649,CC1CCN(c2cc(C(F)(F)F)c(-c3cc(F)ccc3OCC3CCCCO3)cn2)CC1,GVXBVDRYDJPMKQ-UHFFFAOYSA-N
-rxn:4:207044:223845,CCC1CCCCN1c1cc(C)c(-c2cc(F)c(F)cc2S(=O)(=O)N2CCN(C)CC2)cn1,PBKLSMOHEKDQQF-UHFFFAOYSA-N
-rxn:4:207053:224835,CN1CCCN(Cc2ccc(-c3cc(C(F)(F)F)nn3S(=O)(=O)N(C)C)cc2F)CC1,YRNZKVBAOGMCRH-UHFFFAOYSA-N
-rxn:4:207081:222584,CC1(C)OCC2(CO1)CN(C(=O)c1cncc(-c3ccc(OCCCN4CCNCC4)c(F)c3)c1)C2,YVVMBIVVPULWPH-UHFFFAOYSA-N
-rxn:4:207447:223918,CN(C(=O)c1ccc(F)c(-c2cncc(C(=O)N3CC4CC3CS4)c2)c1)C1CCCCC1,BQMKPVOIMJCIJQ-UHFFFAOYSA-N
-rxn:4:207619:223568,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(Cl)c(-c3ccc(N4C=C(C#N)S(=O)(=O)c5cc(F)ccc54)cc3)cnc21,JSSKCKMPIQZFAW-UHFFFAOYSA-N
-rxn:4:207778:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3cnc4c(ccn4[Si](C)(C)C(C)(C)C)c3)cc21,MQGNAQYDWFHUHU-UHFFFAOYSA-N
-rxn:4:207782:224128,CN1CCN(C(=O)C2Cc3cc(-c4ccc(C(=O)N(C)C5CCCCC5)cc4)ccc3O2)CC1,IDKRPCZVXAVBJK-UHFFFAOYSA-N
-rxn:4:207782:224485,CC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2ccc3c(c2)CC(C(=O)N2CCN(C)CC2)O3)c1,KIWXUIOSNPBQMV-UHFFFAOYSA-N
-rxn:4:207815:223893,CCN1CCN(CCOc2cccc(-c3c(C(F)(F)F)c(C)cc4c3c(C)nn4C3CCCCO3)c2)CC1,VCYBMEDRMHTZMY-UHFFFAOYSA-N
-rxn:4:207890:224649,Cc1c(-c2cc(F)ccc2OCC2CCCCO2)cnn1CC12CC3CC(CC(C3)C1)C2,OFXVRMQCTIMLBV-UHFFFAOYSA-N
-rxn:4:209877:223840,COc1ccc(-c2ccc(N3CCN(C)CC3)c(F)c2F)cc1S(=O)(=O)N1CCN(C)CC1,MGSLQCFRVLEAMG-UHFFFAOYSA-N
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-rxn:4:210690:223812,Cn1ncc(-c2cc(F)cc(CN3CCC4(CC3)OCCO4)c2)c1C12COCCC1O2,QOGOHEJXNZWCOX-UHFFFAOYSA-N
-rxn:4:211089:224484,CC(C)N(C(=O)c1ccccc1-c1ccc2c(c1)N1CCCCCC1=C(C#N)S2(=O)=O)C(C)C,PNUINTBYNRLSLI-UHFFFAOYSA-N
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-rxn:4:212581:223672,O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN=C2SCc2ccc(-c3ccccc3COc3cc(C(F)(F)F)ccc3Cl)cc2)cc1,HBVVSKIFORSFME-UHFFFAOYSA-N
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-rxn:4:212656:223492,COC(=O)c1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)c(-c2ccc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c(C)c2)c1,BSVRBCABSGXIEK-UHFFFAOYSA-N
-rxn:4:212664:226012,COc1ccccc1S(=O)(=O)N1CCC(COc2ncc(-c3ccc(OCC(F)(F)F)cc3F)cn2)CC1,JSLDDHQQINHJQQ-UHFFFAOYSA-N
-rxn:4:212691:228150,COC(=O)c1ccc(-c2ccc(C(=O)N(C)C3CCN(C(=O)OC(C)(C)C)CC3)cn2)cc1,QGVAJXXDQDGHRV-UHFFFAOYSA-N
-rxn:4:212730:225165,COc1ccc(-c2noc(C3CCCN(S(=O)(=O)c4ccc(-c5ccc(N6CCOCC6)c(OC)c5)cc4)C3)n2)c(OC)c1,XJCWIXUGWDGVAS-UHFFFAOYSA-N
-rxn:4:212741:222844,CC1CN(Cc2ccc(-c3cccc(NC(=O)C4CCCC4)c3)cc2N2CCCC2)CCN1C(=O)OC(C)(C)C,LOCINGOGBPEFJU-UHFFFAOYSA-N
-rxn:4:212777:222439,O=S(=O)(NC1CCCCC1)c1ccc(-c2ccc(-c3nc4sccn4c3C=NOCc3ccc(C(F)(F)F)cc3)cc2)c(C(F)(F)F)c1,ATRNSSRGVJYCHB-UHFFFAOYSA-N
-rxn:4:212814:227065,CC(C)C(=O)c1cccc(-c2c3c(nn2C(=O)OC(C)(C)C)C(C)(C)N(C(=O)OC(C)(C)C)C3)c1,HFQQORCGPCYESW-UHFFFAOYSA-N
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-rxn:4:212943:222916,CCOC(=O)N1CCN(c2ncc(-c3cccc(C(=O)NC4=NCCS4)c3)cc2C(F)(F)F)CC1,LMZSQNNEGHGUNO-UHFFFAOYSA-N
-rxn:4:213013:223528,CCC(C)C(=O)N1CCC(Oc2ncc(-c3ccc(F)c(CN4CCN(C(=O)OC(C)(C)C)CC4)c3)cn2)CC1,CSTWTXKLYOBITJ-UHFFFAOYSA-N
-rxn:4:213052:226308,CCc1cc(-c2cnc(OCC3CCN(C(=O)C4CC(F)(F)C4)CC3)nc2)ccc1C(=O)OC,HCPQPDXBYJZZBI-UHFFFAOYSA-N
-rxn:4:213080:225898,CC(C)(C)OC(=O)N1CCN(C(=O)c2cncc(-c3cnn(CCN4CCOCC4)c3)c2)CC1,DRWVABNUCSDGAS-UHFFFAOYSA-N
-rxn:4:213080:225984,CC(C)(C)OC(=O)N1CCN(C(=O)c2cncc(-c3cnc(Cl)c(N4CCOCC4)c3)c2)CC1,SCPKBFWOILWJRC-UHFFFAOYSA-N
-rxn:4:213100:228225,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cc(Cl)cnc3C3CC3)c(C(F)(F)F)n2)CC1,YAKOBFIYIUEYGB-UHFFFAOYSA-N
-rxn:4:213116:224818,O=S(=O)(c1ccc(-c2cnc(OCC3CCCN(S(=O)(=O)c4ccc(F)cc4)C3)nc2)cc1)N1CCSCC1,ODKXLKMVFKJYGR-UHFFFAOYSA-N
-rxn:4:213123:226292,CC(C)OC(=O)c1ccc(-c2ccccc2CC(=O)N2CCN(c3ccnc(C(F)(F)F)c3)C(=O)C2)cc1,ROLWJMIXBTURDZ-UHFFFAOYSA-N
-rxn:4:213126:226728,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc(OCC(F)F)cc3F)nc2)CC1,AJSUFILGOXBARH-UHFFFAOYSA-N
-rxn:4:213150:223532,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)cc(-c3ccc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)nc3)c2)CC1,LEZCKSIDFNOKGY-UHFFFAOYSA-N
-rxn:4:213162:224588,COc1ccc(S(=O)(=O)N2CCC(Oc3ncc(-c4cc(F)cc(CN5CCC(C)CC5)c4)cn3)CC2)cc1F,DTLZGHQADGLRTA-UHFFFAOYSA-N
-rxn:4:213162:225171,COc1ccc(S(=O)(=O)N2CCC(Oc3ncc(-c4cc(F)cc(CN5CCOCC5)c4)cn3)CC2)cc1F,USLFNIYBKZLIAI-UHFFFAOYSA-N
-rxn:4:213176:222584,Cc1cccnc1OCC1CCN(C(=O)c2cncc(-c3ccc(OCCCN4CCNCC4)c(F)c3)c2)CC1,SPBCBRBORAYOIA-UHFFFAOYSA-N
-rxn:4:213192:225876,CC(=O)N1CCN(c2cc(C(=O)OC(C)(C)C)cc(-c3cc(Cl)ccc3N3CCOCC3)n2)CC1,JINHFEHMCAXHCK-UHFFFAOYSA-N
-rxn:4:213192:227482,CCCOc1cc(-c2cc(C(=O)OC(C)(C)C)cc(N3CCN(C(C)=O)CC3)n2)c(Cl)cn1,VYYWCOQKRXUCRL-UHFFFAOYSA-N
-rxn:4:213197:224004,CCOC(=O)N1CCN(C2CC(=O)N(c3ccc(-c4cnc(Cl)c(-c5ccc(C(F)(F)F)cc5)c4)cc3)C2=O)CC1,IFOCEBJDRBRSCW-UHFFFAOYSA-N
-rxn:4:213214:224321,CCN1CCN(c2cc(C(=O)OC(C)(C)C)cc(-c3cccc(S(=O)(=O)N4CCC(C)CC4)c3)n2)CC1,KHQCDOQAXJUDQN-UHFFFAOYSA-N
-rxn:4:213218:222436,C[C@H]1CN(Cc2ccc(-c3cccc(C(=O)Nc4cccc(OC(F)(F)F)c4)c3)cn2)CCN1C(=O)OC(C)(C)C,BMNBFFSRTDZMFC-FQEVSTJZSA-N
-rxn:4:213222:225875,CC(C)(C)c1csc(CN2CCN(C(=O)c3ccc(-c4ccc(N5CCOCC5)cc4Cl)o3)CC2)n1,BWKQBSBBPXQTHI-UHFFFAOYSA-N
-rxn:4:213242:224404,O=[N+]([O-])c1cccc(C2CC(c3ccc(-c4ccc(S(=O)(=O)N5CCOCC5)c(F)c4)cc3)=NN2S(=O)(=O)c2ccccc2)c1,IXKOXCOZUSEVFL-UHFFFAOYSA-N
-rxn:4:213262:222742,CN(C)c1ccc(C(=S)N2CCN(C(=S)c3ccc(-c4cc(C5CCNCC5)nc(C5CC5)c4)cc3)CC2)cc1,PUFRDMMBQQNFGB-UHFFFAOYSA-N
-rxn:4:213262:224275,CN(C)c1ccc(C(=S)N2CCN(C(=S)c3ccc(-c4nn(C(=O)OC(C)(C)C)c5ccccc45)cc3)CC2)cc1,ZYOSIDOBNFTCIB-UHFFFAOYSA-N
-rxn:4:213263:222845,CC(c1ccc(-c2cccc(C(=S)N3CCN(C(=S)c4ccc(N(C)C)cc4)CC3)c2)cc1)N1CCNCC1,VCJQAFODAIMAQS-UHFFFAOYSA-N
-rxn:4:213271:223253,CCCCNc1ncc(-c2ccc(OC)cc2C(=O)N2CCC(N3CC(=O)N(C4CC4)C3=O)CC2)cn1,RWWHZQZEVSFXRJ-UHFFFAOYSA-N
-rxn:4:213282:222748,O=C(NCC1CCCO1)c1cccc(-c2cccc(N3CC(C(=O)N4CCC(Oc5ccncc5)CC4)CC3=O)c2)c1,DHVRJGNTTVOOTJ-UHFFFAOYSA-N
-rxn:4:213290:225276,CCCOc1cc(-c2cnc(OC3CCCN(C(=O)C4(c5ccccc5)CCOCC4)C3)nc2)ccc1C(F)(F)F,LQLQZOULWDLNNY-UHFFFAOYSA-N
-rxn:4:213336:224078,COC(=O)c1nc(-c2cccc3c2ccn3[Si](C)(C)C(C)(C)C)n2c1CCN(C(=O)OC(C)(C)C)CC2,QRHJKFZGVXNKLT-UHFFFAOYSA-N
-rxn:4:213337:222878,CCCCC(=O)N1CCN(c2nc3ccc(-c4ccc(F)c(C(=O)NC(C)(C)C)c4)cc3s2)CC1,NVQNFXXVOAVCFO-UHFFFAOYSA-N
-rxn:4:213362:223834,Cc1cc(-c2ccc(-c3ccc(SCC(=O)N4CCCc5ccccc54)nn3)cc2)cc(C)c1S(=O)(=O)N1CCN(C)CC1,DDKVMEQLIKVMBJ-UHFFFAOYSA-N
-rxn:4:213364:224625,CC(C)Oc1cc(-c2cccnc2OC2CCN(C(=O)Cn3c(=O)oc4ccccc43)CC2)cc(Cl)c1OC(C)C,HRZSRFNTIPXTBE-UHFFFAOYSA-N
-rxn:4:213378:223695,O=C(Cc1cccc2ccccc12)N1CCCC(Oc2ncc(-c3cccc(S(=O)(=O)N4CCC5(CC4)OCCO5)c3)cn2)C1,IVQSCGDSMOASRN-UHFFFAOYSA-N
-rxn:4:213380:226109,CC(C)(C)COc1ccc(-c2ccc(-n3c(SCC(=O)N4CCCCC4)nc4c(c3=O)SCC4)cc2)cc1,ZYRLXPDGIGUGFR-UHFFFAOYSA-N
-rxn:4:213545:224153,FC(F)(F)CN1CC(Cn2cc(-c3cc(N4CCCC4)cc(N4CCCC4)c3)cn2)C1,DUIMWCMSYXFSRE-UHFFFAOYSA-N
-rxn:4:213623:223831,COc1ccc(-c2ccc(C(=O)N3CCC(Oc4ncc(F)cn4)C3)o2)cc1S(=O)(=O)N1CCC(C)CC1,KULUMBQTEGEWDK-UHFFFAOYSA-N
-rxn:4:213634:224011,CN1CCN(S(=O)(=O)c2ccc(-c3cnn(CC4CCCN(CC(F)(F)F)C4)c3)cc2F)CC1,FOIBXUJYEVWPGR-UHFFFAOYSA-N
-rxn:4:213658:222796,Cc1ccc(S(=O)(=O)NC(C)(C)C)cc1-c1cnn(CC2CN(C(=O)C3CCCO3)C2)c1,CKBHDEDEUMOTHP-UHFFFAOYSA-N
-rxn:4:213658:222901,CCCS(=O)(=O)NCc1ccc(-c2cnn(CC3CN(C(=O)C4CCCO4)C3)c2)cc1,ZAZWQLZPMCIGSK-UHFFFAOYSA-N
-rxn:4:213663:222792,CC(C)(C)OC(=O)Nc1ccc(F)c(-c2cnc(C3CN(C(=O)OC(C)(C)C)C3)nc2)c1,DGQCJAYMPAUQMN-UHFFFAOYSA-N
-rxn:4:213692:226843,CC(C(=O)N1CCC(C(F)(F)F)CC1)n1cc(-c2ccc(C(=O)C(F)(F)F)nc2)cn1,FSTMCNVIGVZSCH-UHFFFAOYSA-N
-rxn:4:213755:224391,Cc1cc(S(=O)(=O)N2CCOCC2)ccc1-c1csc(N2CCN(C(=O)OC(C)(C)C)CC2)n1,UOLASBXITDFETG-UHFFFAOYSA-N
-rxn:4:213799:225975,CC(C)(C)OC(=O)N1CCOC(c2cc(-c3ccnc(N4CCOCC4)c3Cl)ncn2)C1,XMSZIRIRDIFCSU-UHFFFAOYSA-N
-rxn:4:213800:223059,CC(C)(C)OC(=O)N1CCOCC1c1cc(-c2ccc(N3CCNCC3)cc2Cl)ncn1,PZHSHKCUFLOCBK-UHFFFAOYSA-N
-rxn:4:213805:222584,CC(C)(C)OC(=O)N1CCOC(c2ncc(-c3ccc(OCCCN4CCNCC4)c(F)c3)cn2)C1,SIVSXZGRAZGSAG-UHFFFAOYSA-N
-rxn:4:213805:222790,CC(C)(C)OC(=O)Nc1cc(Cl)cc(-c2cnc(C3CN(C(=O)OC(C)(C)C)CCO3)nc2)c1,MKCMBOMZRDVMKP-UHFFFAOYSA-N
-rxn:4:213838:222934,CCNC(=O)c1cc(-c2c[nH]nc2C2CCN(C(=O)OC(C)(C)C)CC2)cc([N+](=O)[O-])c1,IELOFXXRHBBMJW-UHFFFAOYSA-N
-rxn:4:213841:224975,CCN1CCN(c2ccc(-c3cnc(OC4CCN(CC5CCC5)CC4)nc3)cc2)CC1,NJLNCLMGFDMZIK-UHFFFAOYSA-N
-rxn:4:213880:225976,CC(C)(C)OC(=O)N1CCN(c2cnccc2-c2ccnc(N3CCOCC3)c2F)CC1,WDWVHCAWVBPTLG-UHFFFAOYSA-N
-rxn:4:213897:225976,CC(C)(C)OC(=O)N1CCN(c2ccncc2-c2ccnc(N3CCOCC3)c2F)CC1,SSQMUXSUGIJZQO-UHFFFAOYSA-N
-rxn:4:213898:222839,CC(C)(C)C(=O)N1CCC(Oc2ncc(-c3ccc(NCC4CCCCC4)nc3)cn2)CC1,BQLZINGTNPUVPS-UHFFFAOYSA-N
-rxn:4:213901:225980,CC(C)(C)OC(=O)N1CCN(c2nc(Cl)ccc2-c2cc(N3CCOCC3)ncc2F)CC1,NENCOIUOUUDEQK-UHFFFAOYSA-N
-rxn:4:213902:222804,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3ccc(NC4CCS(=O)(=O)CC4)cc3)cc2F)CC1,DWVSIWHYZRFICC-UHFFFAOYSA-N
-rxn:4:213932:223490,Cc1ccc(-c2cnc(N3CCOC(C(=O)N4CCCC4)C3)c(C(F)(F)F)c2)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,UXWOIKRQPONPIR-UHFFFAOYSA-N
-rxn:4:213933:228973,O=S(=O)(C1CC1)N1CCCN(c2ncc(C(F)(F)F)cc2-c2c(Cl)cnc(F)c2F)CC1,FFDXLEKLBGRPFW-UHFFFAOYSA-N
-rxn:4:213938:223728,CCCCCC1CCC(c2ccc(-c3ccc(S(=O)(=O)N4CCN(c5ccc(C(F)(F)F)cn5)CC4)cc3)c(F)c2)CC1,BDIZDCAQQNICSA-UHFFFAOYSA-N
-rxn:4:213954:224159,CC(C)(C)OC(=O)n1ccc2c(-c3cnccc3OC3CCN(C4CCN(C5CC5)C4=O)C3)cccc21,UJLNCKKSBMIGTD-UHFFFAOYSA-N
-rxn:4:213954:226251,CCCCOc1cc(-c2cnccc2OC2CCN(C3CCN(C4CC4)C3=O)C2)ccc1Cl,KTJWQUNPCQUMGH-UHFFFAOYSA-N
-rxn:4:213972:226236,CCCCOc1ncc(C)cc1-c1cnc(N2CCOC(C(=O)N3CCOCC3)C2)c(C(F)(F)F)c1,CARBUMWLMGIKEO-UHFFFAOYSA-N
-rxn:4:213993:223580,COC(=O)c1ccc2c(c1)cc(-c1cnc(N3CCN(C)CC3)c(C(=O)OC(C)(C)C)c1)n2C(=O)OC(C)(C)C,KJYUUQZCJBCEIT-UHFFFAOYSA-N
-rxn:4:213997:224937,CCOC(=O)C1(c2ccc(-c3cnccc3N3CCN(C(=O)OC(C)(C)C)C(C)C3)cc2)CC1,FYELFDUMWCYQIS-UHFFFAOYSA-N
-rxn:4:214024:226989,CCN(CC)c1ccc(-c2cnc(OC3CCN(C(=O)C4CCC(F)(F)CC4)CC3)nc2)cc1,CBIPMRMJROOLSZ-UHFFFAOYSA-N
-rxn:4:214026:227366,CC(C)Oc1cc(Cl)cc(-c2cc(C(F)(F)F)cnc2N2CCCC(C(=O)N3CCOCC3)C2)c1,WHQOXQUBIRIOFU-UHFFFAOYSA-N
-rxn:4:214033:227840,Cc1cccc(-c2cc(C3=N[C@@H](C(C)C)CO3)nc(C3=N[C@@H](C(C)C)CO3)c2)c1C1CC1,PNMYOPLGIRHSFN-DNQXCXABSA-N
-rxn:4:214035:223812,O=C(c1ccc(-c2cc(F)cc(CN3CCC4(CC3)OCCO4)c2)cc1)N1CCC(n2nc(C3CC3)ccc2=O)CC1,XKEWJBPUXWTJET-UHFFFAOYSA-N
-rxn:4:214038:223994,Cc1ccc(S(=O)(=O)N2CCCC(Oc3ncc(-c4cc(S(=O)(=O)N5CCN(C)CC5)ccc4C)cn3)C2)cc1C,GLNPYGJBNUJXRQ-UHFFFAOYSA-N
-rxn:4:214046:223187,CONS(=O)(=O)c1cccc(-c2ccc(N3C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@@H]3C)nc2)c1,HNEADCYRCOEUQS-DLBZAZTESA-N
-rxn:4:214056:228803,CC(=O)N1CCN(C2=NC(=O)C(=Cc3ccc(-c4ccccc4-c4cc([Si](C)(C)C)cs4)o3)S2)CC1,LBSPNAGWLYVWDF-UHFFFAOYSA-N
-rxn:4:214063:224678,Cc1cc(C(=O)CN2CCN(C)CC2)c(C)n1-c1ccc(-c2ccc(F)c(C(=O)N3CCCCC3)c2)cc1,BCKJFKGMSLEDFP-UHFFFAOYSA-N
-rxn:4:214074:224082,CCC(C(=O)OC(C)(C)C)c1cccc(-c2ccc(S(=O)(=O)n3nc(C)c(S(=O)(=O)N4CCCC(C)C4)c3C)cc2)c1,KZEZSWNJAIOTDC-UHFFFAOYSA-N
-rxn:4:214153:224886,CC1CCN(Cc2ccc(-c3cnn4c3OC[C@H](N(C)C(=O)OC(C)(C)C)C4)cc2)CC1,DFAMQCCANWSOCI-OAQYLSRUSA-N
-rxn:4:214201:223524,COc1ccc2c(c1)c(-c1ccc(N3CC4CC(C3)N4C(=O)OC(C)(C)C)nc1)cn2S(=O)(=O)c1ccc(C)cc1,DHACHZXGUZRKLV-UHFFFAOYSA-N
-rxn:4:214213:222584,O=C(c1ccc2ncsc2c1)N1CCC(Oc2ncccc2-c2ccc(OCCCN3CCNCC3)c(F)c2)CC1,HCRISAIZEUCNEX-UHFFFAOYSA-N
-rxn:4:214221:222912,CC(C)CNS(=O)(=O)c1ccc(-c2ccc3nc([C@@H]4CCCN4C(=O)OC(C)(C)C)[nH]c3c2)cc1,VOIDPLWFBZWKOX-QHCPKHFHSA-N
-rxn:4:214630:223595,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3c(C4CC4)n[nH]c3C(=O)N3CCOCC3)cc2F)CC1,UIGPEFVXSKAQAB-UHFFFAOYSA-N
-rxn:4:214706:223993,Cc1cc(-c2cnc(CC3CCCN(S(C)(=O)=O)C3)cn2)ccc1S(=O)(=O)N1CCN(C)CC1,NYJYFAXXSALETL-UHFFFAOYSA-N
-rxn:4:214744:224193,CCN1CCN(Cc2cc(-c3ccc(N4CCC(N(C)C)CC4)cc3C#N)ccc2F)CC1,FHSJPWAWEUZOQQ-UHFFFAOYSA-N
-rxn:4:214752:224606,CCCOc1cc(-c2nc(C(=O)N3CCN(C(C)C)CC3)ccc2F)cc(Cl)c1OC(C)C,HHQHBBFWTWVBBD-UHFFFAOYSA-N
-rxn:4:214765:225286,CN(C)C1CCN(c2cccc(-c3cc(F)ncc3C(=O)OC(C)(C)C)c2[N+](=O)[O-])CC1,BITQPKHYXMRINU-UHFFFAOYSA-N
-rxn:4:214766:223687,CN(C)C1CCN(c2ccc(-c3cnc(N4CCN(C(=O)OC(C)(C)C)CC4)nc3)cc2[N+](=O)[O-])CC1,YWGCCBFMTJQRDW-UHFFFAOYSA-N
-rxn:4:214767:225199,CN(C)C1CCN(c2c(-c3cc(F)c(OC4CCCC4)c(F)c3)cccc2[N+](=O)[O-])CC1,SLMDDPRNDQMGHE-UHFFFAOYSA-N
-rxn:4:214774:222514,COc1ccc(-c2ccc(N3CCN(S(=O)(=O)N(C)C)CC3)cc2)cc1S(=O)(=O)NC1CCCCC1,NHZNAIWIFGUAJJ-UHFFFAOYSA-N
-rxn:4:214819:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCCC3)C2)CC1,GCHPGQPUSZEHQL-UHFFFAOYSA-N
-rxn:4:214819:226255,CCCCOc1ccc(Cl)cc1-c1cc(Cl)cnc1N1CCOC(C(=O)N2CCCC2)C1,NPJPHUDBYHPJKH-UHFFFAOYSA-N
-rxn:4:214837:225093,CCCOc1c(Cl)cc(-c2cnc(N3CCOC(C(=O)N4CCSCC4)C3)c(Cl)c2)cc1OCC,UVXRRPPRVNZOFR-UHFFFAOYSA-N
-rxn:4:214838:225683,Cc1nc(C2CCCOC2)ccc1-c1cnc(N2CCOC(C(=O)N3CCOCC3)C2)c(F)c1,COPFKJGGTKPEOS-UHFFFAOYSA-N
-rxn:4:214859:224379,CN1CCN(S(=O)(=O)c2ccccc2-c2ccc(S(=O)(=O)N3CCCC(c4ccn(C)n4)C3)cc2)CC1,XGICALFOOWFZKM-UHFFFAOYSA-N
-rxn:4:214868:224196,CCN1CCN(Cc2cc(F)cc(-c3cccnc3N3CCOC(C(=O)N4CCCCC4)C3)c2)CC1,FBCAFMACVZCRIG-UHFFFAOYSA-N
-rxn:4:214870:227464,CCCCSc1ncc(-c2cc(Cl)cnc2N2CCCC(C(=O)N3CCOCC3)C2)cn1,CKXQKHMQODLDRG-UHFFFAOYSA-N
-rxn:4:214871:226981,CCCCCCc1ccsc1-c1cnc(N2CCCC(C(=O)N3CCOCC3)C2)c(Cl)c1,MFCXKOSIHFRLGZ-UHFFFAOYSA-N
-rxn:4:214872:227464,CCCCSc1ncc(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCCCC3)C2)cn1,IMIQGEUXBVVQHT-UHFFFAOYSA-N
-rxn:4:214874:226231,CCCCOc1ncc(-c2cnc(N3CCOC(C(=O)N4CCCCC4)C3)c(F)c2)cc1C,QWJADEWSGSOBJR-UHFFFAOYSA-N
-rxn:4:214896:222946,Cc1cc(-c2cnc(N3CCCCC3O)nc2Cl)cnc1N1CCC(C(=O)N2CCC(F)(F)CC2)CC1,BRZHCGLALNYJPD-UHFFFAOYSA-N
-rxn:4:215096:222874,CC1c2cnc(-c3ccc(Cl)c(C(=O)NC(C)(C)C)c3)n2CCN1C(=O)OC(C)(C)C,UYRHBFUTSYGDQI-UHFFFAOYSA-N
-rxn:4:215099:223892,C[C@@H]1Cn2ncc(-c3ccc(OCCCN4CCN(C)CC4)cc3)c2CN1C(=O)OC(C)(C)C,KPHNMZIATFCBNR-HXUWFJFHSA-N
-rxn:4:215106:224712,CC(=O)OC(OC(C)=O)c1ccc(-c2c(C)nn3c2CN(C(=O)OC(C)(C)C)CC3)cc1,IKXYSXSYIYKNRT-UHFFFAOYSA-N
-rxn:4:215110:222698,Cc1nc(-c2ccc(C(=O)N3CCC(O)CC3)c(Cl)c2)c2n1CCN(C(=O)OC(C)(C)C)C2,BVFDCUKMFJYKCW-UHFFFAOYSA-N
-rxn:4:215110:224258,Cc1nc(-c2ccc(C(=O)N3CCCCC3C)cc2Cl)c2n1CCN(C(=O)OC(C)(C)C)C2,XYQVWIMPFXYQCY-UHFFFAOYSA-N
-rxn:4:215112:223997,CCC(=O)N1CCN(c2nc3ccc(-c4cc(C)c(S(=O)(=O)N5CCOCC5)c(C)c4)cc3s2)CC1,DDWQMKNADZCKML-UHFFFAOYSA-N
-rxn:4:215304:226654,Cc1ccc(C2=NN3C(C2)c2cc(-c4csc(N5CCC(C)CC5)n4)ccc2OC32CCN(Cc3ccccc3)CC2)cc1,XQQMKSYLIKWHIT-UHFFFAOYSA-N
-rxn:4:215708:223670,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2cnc(C(=O)N3CCOCC3)nc2)CC1,ZAPNKURUGBJXMQ-UHFFFAOYSA-N
-rxn:4:215772:223669,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cncc(N4CCC(C#N)CC4)c3)cn2)CC1,DTHLXNOZCJBAMH-UHFFFAOYSA-N
-rxn:4:215831:222829,CNS(=O)(=O)c1ccc(-c2cnn(C)c2C(=O)N2CCCC(F)(F)C2)c(C(F)(F)F)c1,UNVAYRYFKWMBRW-UHFFFAOYSA-N
-rxn:4:215861:224192,CCN1CCN(Cc2ccc(F)cc2-c2cnc(Cl)c(C(=O)N3CCN(C)CC3)c2)CC1,QIBRGNXPSTUHLV-UHFFFAOYSA-N
-rxn:4:215866:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1cc(Cl)cnc1C(=O)N1CCN(C)CC1,JIYXSEXDVNMDIU-UHFFFAOYSA-N
-rxn:4:215896:222607,CN1CCN(c2ccc([N+](=O)[O-])cc2-c2ccc(NC3CCN(S(C)(=O)=O)CC3)cc2)CC1,ALTUVOFVRLRSJW-UHFFFAOYSA-N
-rxn:4:215941:223787,CN1CCN(CCCOc2ccc(-c3ccncc3N3CCC(N(C)C)CC3)cc2F)CC1,ZOJOAZBIIBZRMP-UHFFFAOYSA-N
-rxn:4:215942:223784,CCN1CCN(CCOc2ccc(-c3ncccc3N3CCC(N(C)C)CC3)cc2F)CC1,JGRBXAJAWBRKEB-UHFFFAOYSA-N
-rxn:4:215983:224089,Cc1cc(N2CCN(C(C)C)CC2)ncc1-c1ccc(OCCN2CCC(C)CC2)cc1,DUAKKPZYHZPWKC-UHFFFAOYSA-N
-rxn:4:215989:225828,CN1CCN(C2CCN(c3ccc(-c4cnc(N5CCCCCC5)nc4)cc3)CC2)CC1,KMNFERLTBJMGDJ-UHFFFAOYSA-N
-rxn:4:217129:223686,CC(C)(C)[Si](C)(C)Oc1ccc(-c2cnc(N3CCCCC3)nc2Cl)cc1OC(F)(F)F,DMEJBOQWMOEMQU-UHFFFAOYSA-N
-rxn:4:218578:222925,CC(C)(C)OC(=O)N1CCC(CC#N)(n2cc(-c3ccc(C4CNC4)c(C(F)(F)F)c3)cn2)CC1,MQXQSNBEWPGHRL-UHFFFAOYSA-N
-rxn:4:218587:222844,N#Cc1ccc(S(=O)(=O)N2CCC(COc3ncc(-c4cccc(NC(=O)C5CCCC5)c4)cn3)CC2)cc1,UTFOQDAOAAFTND-UHFFFAOYSA-N
-rxn:4:218600:223573,CC(C)(C)OC(=O)N1CCN(CCn2cc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)cc3)cn2)CC1,MLJNERMQHAKNSO-UHFFFAOYSA-N
-rxn:4:218666:223812,CC(C)(C)c1ccc(OCC2CCN(C(=O)c3cncc(-c4cc(F)cc(CN5CCC6(CC5)OCCO6)c4)c3)C2)nn1,BTIXKNQDCGPNGZ-UHFFFAOYSA-N
-rxn:4:218666:225313,CN1CCN(c2ccc(-c3cncc(C(=O)N4CCC(COc5ccc(C(C)(C)C)nn5)C4)c3)c(F)n2)CC1,PBDRFNQHFHXEQS-UHFFFAOYSA-N
-rxn:4:218711:227635,CC(C)(C)OC(=O)N1CCN(C2CCN(c3ccc([N+](=O)[O-])cc3-c3cnc(-c4ccco4)nc3)CC2)CC1,FIRVEMUGMOLVLW-UHFFFAOYSA-N
-rxn:4:218769:228805,CSc1cccc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCCC4)CC3)c2)c1F,BXSXJUIWRCWUOJ-UHFFFAOYSA-N
-rxn:4:218769:228813,CSc1cc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCCC4)CC3)c2)ccc1Cl,CCFNSMCQKFVCGT-UHFFFAOYSA-N
-rxn:4:218867:223133,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3ccccc3N3CCNCC3)c2)no1,NOSNZYJUUVQTGO-UHFFFAOYSA-N
-rxn:4:218868:226792,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3cnc(N4CCOCC4)nc3)cc2)no1,PVBFCTGABFANDP-UHFFFAOYSA-N
-rxn:4:218921:224161,CC(C)(C)OC(=O)N1Cc2ccc(-c3ccccc3CCC(=O)N3CCN(c4ncc(F)cn4)C(=O)C3)cc2C1,ILDFVRUSLISQSZ-UHFFFAOYSA-N
-rxn:4:218944:223166,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3ccc(N4CCNCC4)nc3)cc2[N+](=O)[O-])CC1,RRVOILNIWFOSLW-UHFFFAOYSA-N
-rxn:4:218944:228211,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3cc(N4CCCC4)cs3)cc2[N+](=O)[O-])CC1,NAZLQYWRTQBTQP-UHFFFAOYSA-N
-rxn:4:219053:225868,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cncc(-c4ccc(N5CCOCC5)c(F)c4)c3)cn2)CC1,XCXFMPGJSJGYOI-UHFFFAOYSA-N
-rxn:4:219053:225979,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cncc(-c4cnc(N5CCOCC5)c(Cl)c4)c3)cn2)CC1,JDKNHHUOWFOCDE-UHFFFAOYSA-N
-rxn:4:219365:222584,O=C(c1cncc(-c2ccc(OCCCN3CCNCC3)c(F)c2)c1)N1CCCC(Oc2ncc(F)cn2)C1,BKHBGUIRYVHNTN-UHFFFAOYSA-N
-rxn:4:219372:225984,CC(C)(C)OC(=O)N1CCC(c2[nH]nnc2-c2cnc(Cl)c(N3CCOCC3)c2)CC1,HVZVEBZJVCJLOK-UHFFFAOYSA-N
-rxn:4:219402:222584,CC(C)(C)OC(=O)N1CCN(c2cnc(-c3ccc(OCCCN4CCNCC4)c(F)c3)cn2)CC1,LVBKFFYRIOTCEI-UHFFFAOYSA-N
-rxn:4:219405:224359,CCN(CC)C(=O)c1cc(-c2nccc(N3CCN(C(=O)OC(C)(C)C)CC3)n2)cc([N+](=O)[O-])c1,DELSMLYKFNXLPB-UHFFFAOYSA-N
-rxn:4:219439:224015,Cc1cc(F)c(-c2cccc(CN3CCN(c4nccc(C(F)(F)F)n4)CC3)c2)cc1S(=O)(=O)N1CCOCC1,LBXPMPJJVVBNHC-UHFFFAOYSA-N
-rxn:4:219443:222511,O=C(NC1CCCCC1)c1cc(-c2ccc(C(=O)N3CCN(c4ccc(-c5ccco5)nn4)CC3)o2)cc([N+](=O)[O-])c1,OGDYSKGJKMKNBL-UHFFFAOYSA-N
-rxn:4:219456:223652,COc1ccc(Cl)c2cc(-c3cnn(C4CCN(C(=O)OC(C)(C)C)CC4C)n3)n(C(=O)OC(C)(C)C)c12,POYMVQSRDCYNEP-UHFFFAOYSA-N
-rxn:4:219456:223885,CC1CN(C(=O)OC(C)(C)C)CCC1n1ncc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3)n1,QTPZEPVUGQQNBI-UHFFFAOYSA-N
-rxn:4:219515:224829,COC(=O)c1ccc(-c2nnc(N3CC4(CCN(C(=O)OC(C)(C)C)CC4)C3)s2)cc1OC(F)(F)F,MURYLXFWHBILQT-UHFFFAOYSA-N
-rxn:4:219641:225364,Cc1cc(F)c(-c2cccnc2OC2CCN(C(=O)c3cc4n(n3)CCCO4)C2)cc1S(=O)(=O)N(C)C,NZBOYXDYUXALAF-UHFFFAOYSA-N
-rxn:4:219692:225011,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cccc(C4(C#N)CCCC4)c3F)c3cnc(Cl)nc32)CC1,AFBXLLQXQXEFKJ-UHFFFAOYSA-N
-rxn:4:219692:226001,CC(C)(C)OC(=O)N1CCC(n2cc(-c3ccc(OC(F)(F)F)c(C#N)c3)c3cnc(Cl)nc32)CC1,RILORYYTKNFZPD-UHFFFAOYSA-N
-rxn:4:219707:226472,CN(C)CCOc1cc(-c2c(Cl)cc3c(N4CCN(C(=O)OC(C)(C)C)CC4)ncnc3c2F)ccn1,WSNJNWXHSITOLR-UHFFFAOYSA-N
-rxn:4:219742:222946,O=C(c1cncc(-c2cnc(N3CCCCC3O)nc2Cl)c1)N1CCC(Cn2nc3c(cc2=O)CCC3)CC1,RUQPKSQORCMGCG-UHFFFAOYSA-N
-rxn:4:219743:224667,CC(C)c1sc(-c2ccc(Cl)c(CN3CCN(C)CC3)c2)nc1C(=O)N1CCC(c2nc3ccccc3[nH]2)CC1,MWZUTTAAJDYOPD-UHFFFAOYSA-N
-rxn:4:219859:223594,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)cc(-c3ccc(C(=O)N4CCC(n5nccn5)CC4)o3)c2)CC1,MBZGCNHNTKSUBS-UHFFFAOYSA-N
-rxn:4:219908:224325,CN1CCCN(c2oc(-c3ccc(-c4ccc(C5=CCN(S(C)(=O)=O)CC5)cc4)o3)nc2C#N)CC1,BSCXSHOYBIPYTE-UHFFFAOYSA-N
-rxn:4:219955:223787,CN1CCN(CCCOc2ccc(-c3cnc(N4CCOC(C(=O)N5CCSCC5)C4)nc3)cc2F)CC1,MHICNDGOQHPTGE-UHFFFAOYSA-N
-rxn:4:219959:223533,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cnc(N4CCOC(C(=O)N5CCOCC5)C4)nc3)c(F)c2)CC1,PHXBNAHTMRTEJK-UHFFFAOYSA-N
-rxn:4:219984:223695,CCc1cc(N2CCN(c3ccc(-c4cccc(S(=O)(=O)N5CCC6(CC5)OCCO6)c4)cc3)CC2)ncn1,DVVREPFBQAOAAH-UHFFFAOYSA-N
-rxn:4:220131:224620,CC(C)(C)[Si](C)(C)OCc1ccc(-c2cnc(N3CC(N4CC5CCCC5C4)C3)c(C#N)c2)cn1,SIUTZWCKPQGPOF-UHFFFAOYSA-N
-rxn:4:220158:224394,Cc1ccc(-c2ccccc2S(=O)(=O)N2CC3CN(c4cnccn4)CC3C2)cc1S(=O)(=O)N1CCOCC1,MLTDVCDMZHFCIK-UHFFFAOYSA-N
-rxn:4:220221:225313,CN1CCN(C(=O)c2cc3n(n2)CC(c2ccc(-c4ccc(N5CCN(C)CC5)nc4F)cc2)OC3)CC1,XEXLYSDYUBTAGS-UHFFFAOYSA-N
-rxn:4:220221:225877,CN1CCN(C(=O)c2cc3n(n2)CC(c2ccc(-c4ccc(Cl)cc4N4CCOCC4)cc2)OC3)CC1,BWUATHCDXZCWSK-UHFFFAOYSA-N
-rxn:4:220225:222901,CCCS(=O)(=O)NCc1ccc(-c2ccc3ncnc(N4CCCC(C(=O)N5CCOCC5)C4)c3c2)cc1,QKDYEWTWBBZEDO-UHFFFAOYSA-N
-rxn:4:220405:223985,COc1ccc(-c2cnc(N3CCC(N4CCOC4=O)C3)nc2)cc1S(=O)(=O)N1CCCCC1,JZOYTFBZJDGQOU-UHFFFAOYSA-N
-rxn:4:220491:223945,CC(C)(C)C(=O)N1CCn2nc(-c3ccc(OCCCN4CCOCC4)c(F)c3)nc2C1,CSQNJHLCFOVHOD-UHFFFAOYSA-N
-rxn:4:220533:225050,CC1CCN(c2cc(F)cc(-c3cnc(N4CC(N5CC6CCCC6C5)C4)nc3)c2)CC1,NWRCDJYWTNNJAZ-UHFFFAOYSA-N
-rxn:4:221097:223523,CCN1CCN(S(=O)(=O)c2ccc(-c3cnc(OC4CCN(C(=O)CCc5c(C)n[nH]c5C)C4)nc3)c3ccccc23)CC1,ASHKFOOLVLEFLX-UHFFFAOYSA-N
-rxn:4:221117:224672,CCN1CCN(c2ccc(-c3ccc4nc(N(CCN5CCOCC5)C(=O)c5cnccn5)sc4c3)c(Cl)c2)CC1,FDNFAUXBYDLOHW-UHFFFAOYSA-N
-rxn:4:221152:224169,Cc1nnsc1C(=O)N1CCCC(COc2ncc(-c3cccc(OCCCN4CCOCC4)c3)cn2)C1,SJLTYXHJFKMZBM-UHFFFAOYSA-N
-rxn:4:221159:223953,COCCN1CCN(c2cc(F)cc(-c3cnc(OCC4CCN(Cc5noc(C)n5)CC4)nc3)c2)CC1,GRMKXWIREJSLSQ-UHFFFAOYSA-N
-rxn:4:221175:223828,CCN1CCN(c2cc(-c3cnc(OC4CCN(C(=O)N5CCN(CC)C(=O)C5=O)C4)nc3)cc(C(F)(F)F)c2)CC1,VWSFEBWUDPDWHX-UHFFFAOYSA-N
-rxn:4:221175:224195,CCN1CCN(Cc2cc(-c3cnc(OC4CCN(C(=O)N5CCN(CC)C(=O)C5=O)C4)nc3)ccc2Cl)CC1,BGGJNOIJPBQSIY-UHFFFAOYSA-N
-rxn:4:221175:225645,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4ccc(-n5ccc(C)n5)cc4C)cn3)C2)C(=O)C1=O,HRMGJTONQCZJDQ-UHFFFAOYSA-N
-rxn:4:221180:223786,Cc1cc(C(=O)N2CCC(COc3ncc(-c4ccc(OCCCN5CCN(C)CC5)c(Cl)c4)cn3)CC2)nn1C,KHWZVALNILLOGO-UHFFFAOYSA-N
-rxn:4:221198:222546,CC(C)(C)c1ccc(OCC2CCN(c3ncc(-c4ccc(OCCNC5CCCCC5)c(F)c4)cn3)CC2)nn1,FIGNXIGFUGSMFL-UHFFFAOYSA-N
-rxn:4:221198:224759,CC(C)(C)c1ccc(OCC2CCN(c3ncc(-c4cc(F)cc(C(=O)N5CCOCC5)c4)cn3)CC2)nn1,POZZFIMPHNGOHQ-UHFFFAOYSA-N
-rxn:4:221208:226539,CCOC(=O)c1ccc(Cl)cc1-c1ccc(CCN2CCN(c3cc(C)nc(N4CCOCC4)n3)CC2)cc1,XIQGGXWRNZRUEF-UHFFFAOYSA-N
-rxn:4:221233:224672,CCN1CCN(c2ccc(-c3cncc(C(=O)N4CCC(COc5ccc6nc(C)cn6n5)CC4)c3)c(Cl)c2)CC1,FXLCFOXWUZTNDZ-UHFFFAOYSA-N
-rxn:4:221240:224196,CCN1CCN(Cc2cc(F)cc(-c3cnc(OCC4CCCN(Cc5c6c(nn5C)CCC6)C4)nc3)c2)CC1,MXMCEBZOCAKAIQ-UHFFFAOYSA-N
-rxn:4:221319:223542,CCc1ncnc(N2CC(Cn3cc(-c4ccc(OC(F)(F)F)c(S(=O)(=O)N5CCN(C)CC5)c4)cn3)C2)c1F,SDTUJBGKIBIIOJ-UHFFFAOYSA-N
-rxn:4:221344:223590,Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1-c1cnn(CC2CN(c3nc(C)c(Cl)c(C)c3C#N)C2)c1,SABSLOYJBYRNTI-UHFFFAOYSA-N
-rxn:4:221351:223999,CC1CCN(S(=O)(=O)c2ccc(F)c(-c3cnc(N4CC(Cn5nc(C6CC6)ccc5=O)C4)nc3)c2)CC1,CZONSUBFRRHRAW-UHFFFAOYSA-N
-rxn:4:221372:224325,CN(C)c1cnnc(N2CCN(C(=O)c3ccc(-c4ccc(C5=CCN(S(C)(=O)=O)CC5)cc4)o3)CC2)c1,GHMRYRQHYDFSOU-UHFFFAOYSA-N
-rxn:4:221394:223844,O=c1ccc(C2CC2)nn1CC1CCN(c2ncc(-c3ccc(S(=O)(=O)N4CCCC4)cc3C(F)(F)F)cn2)CC1,ZJKKPEUMIDXGTB-UHFFFAOYSA-N
-rxn:4:221413:225717,COCCOCc1ccc(F)cc1-c1ccc(C(=O)N2CCN(c3cc(N4CCOCC4)ncn3)CC2)o1,MDWSQBVJGUCSGL-UHFFFAOYSA-N
-rxn:4:221440:223140,Cc1cc(N2CCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccnc(C5CCCNC5)c4)cc3)CC2)n1,PJLWTTAOXPCDNO-UHFFFAOYSA-N
-rxn:4:221441:222621,Cc1cc(N2CCOCC2)nc(N2CCN(Cc3cccc(-c4cc(CC(C)C)nc(C5CCCNC5)c4)c3)CC2)n1,AFZPXBPCHQLZJC-UHFFFAOYSA-N
-rxn:4:221441:224328,Cc1cc(N2CCOCC2)nc(N2CCN(Cc3cccc(-c4cccc(S(=O)(=O)N5CCCCC5C)c4)c3)CC2)n1,KAOPAQWAXPNKID-UHFFFAOYSA-N
-rxn:4:221447:225287,Cc1cc(N2CCN(Cc3ccc(-c4cc(Cl)ncc4C(=O)OC(C)(C)C)cc3)CC2)nc(N2CCOCC2)n1,DNBKKIBMRCBZNM-UHFFFAOYSA-N
-rxn:4:221449:224321,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccc(S(=O)(=O)N5CCC(C)CC5)c4)cc3)CC2)n1,MWQILGKZAACCND-UHFFFAOYSA-N
-rxn:4:221451:223858,COc1cc2c(cc1-c1ccccc1C(=O)N1CCN(c3nc(C)cc(N4CCCCC4)n3)CC1)-c1ccccc1C2(C)C,SHMHUHNCMDIKQF-UHFFFAOYSA-N
-rxn:4:221604:223592,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc(-n4cnnn4)cc3C(=O)N3CCSCC3)c(Cl)c2)CC1,ZYLRATJGIIVRGN-UHFFFAOYSA-N
-rxn:4:221633:222612,Cc1ccnc(N2CCN(c3ncc(C(F)(F)F)cc3-c3cc(S(=O)(=O)N4CCC(O)CC4)ccc3F)CC2)n1,YOTCGTOSVIDJLB-UHFFFAOYSA-N
-rxn:4:221642:226176,O=C1CN(C2CCN(c3ncc(-c4ccncc4C4CCCCC4)cn3)CC2)C(=O)N1C1CC1,WEDGSGJGYQQGGM-UHFFFAOYSA-N
-rxn:4:221642:228366,CN(C)c1ncc(-c2cnc(N3CCC(N4CC(=O)N(C5CC5)C4=O)CC3)nc2)cc1F,RQZWDKDYOWLOPB-UHFFFAOYSA-N
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-rxn:4:221726:224305,CN(C1=NS(=O)(=O)c2ccccc21)C1CCN(c2ncc(-c3ccc(O[Si](C)(C)C(C)(C)C)c(Cl)c3F)cn2)CC1,SXSYUFLFQLYYDK-UHFFFAOYSA-N
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-rxn:5:177730:226794:225616,CC(C)(C)OC(=O)c1cc(-c2cnc(N3CCSCC3)nc2)ccc1-c1ccccc1C(=O)N1CCCC1,WACYUYKIMZQAJC-UHFFFAOYSA-N
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-rxn:5:177736:226663:225833,CC(C)(C)OC(=O)c1ccc(-c2ccnc(N3CCCCC3)c2F)c(-c2ccc(N3CCSCC3)nc2)c1,JZUZEAKILNQNLK-UHFFFAOYSA-N
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-rxn:5:177891:226583:223186,O=C(SC1CS(=O)(=O)CC1c1cnn(C2CCCCO2)c1)c1ccccc1-c1ccc(CN2CCOCC2)s1,JEPCOBBVAKGHCN-UHFFFAOYSA-N
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-rxn:5:178121:226882:223133,Fc1c(-c2c(OCC3CCOCC3)cccc2-c2ccccc2N2CCNCC2)ccc(C(F)(F)F)c1F,XEICDYOEPGZQAD-UHFFFAOYSA-N
-rxn:5:178122:223006:227804,O=[N+]([O-])c1cc(-c2cc(-c3ccc(F)c(C4CCNCC4)c3)ccc2COC2CCCCO2)c([N+](=O)[O-])s1,ZZDVFWQABNTUPJ-UHFFFAOYSA-N
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-rxn:5:178467:228320:225982,CCOC(=O)C1=Cc2cc(-c3cnc(N4CCOCC4)cc3F)cc(-c3ccnc(C(=O)OC)c3)c2OC1,SRAPRHBICVLLOE-UHFFFAOYSA-N
-rxn:5:178467:228321:223001,CCOC(=O)C1=Cc2cc(-c3cc(C4CCCNC4)ccc3F)cc(-c3cncc(C(=O)OC)c3)c2OC1,ITZZVMCJVDWVOY-UHFFFAOYSA-N
-rxn:5:179840:225943:227803,CN(C)S(=O)(=O)n1nccc1-c1cc(O[C@@H]2CCOC2)ccc1-c1ccc(C(=O)N2CCOCC2)s1,CBIIWLSTVSOWSD-GOSISDBHSA-N
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-rxn:5:180402:225507:227077,CCC(C)c1ccc(-c2cc(-c3ccc4c(c3)CCC4C(=O)OC)ccc2C(=O)C2CCCCC2)c(F)c1,CODMUWDFKPGTBB-UHFFFAOYSA-N
-rxn:5:180402:227048:223082,CNS(=O)(=O)c1c(C)cc(-c2cc(-c3ccc(C(=O)C(C)C)cc3)ccc2C(=O)C2CCCCC2)cc1C,QFCPSSRQIIFPOL-UHFFFAOYSA-N
-rxn:5:180421:223146:226652,Cc1cc(-c2ccc(CC3CCCCC3)cc2-c2cccc(C3CNCCO3)c2)n(C2CCCCO2)n1,XROUXERCFJLAJN-UHFFFAOYSA-N
-rxn:5:180422:225657:227390,Cc1cc(-c2ccc(CC3CCCCC3)cc2-c2ccnn2C2CCCCC2)ccc1N1CCOCC1,FHWCRLBRPVRPGP-UHFFFAOYSA-N
-rxn:5:180422:225831:225932,Cc1cc(-c2ccc(CC3CCCCC3)cc2-c2ccc(N(C)C)c(C(F)(F)F)c2)cnc1N1CCOCC1,IERWYSVIRWRATJ-UHFFFAOYSA-N
-rxn:5:180506:225603:227349,COc1cc(C)cc(-c2c(-c3cccc(C4(C#N)CCC4)c3F)cc(C(C)(C)C)cc2C2OCCO2)c1OC,IVIFLHMIDUFFSJ-UHFFFAOYSA-N
-rxn:5:180602:226366:225976,COC(=O)C1Cc2cc(-c3ccnc(N4CCOCC4)c3F)cc(-c3ccnc(N4CCCCC4)c3)c2O1,ICMYVQSHUZYPBR-UHFFFAOYSA-N
-rxn:5:180662:222958:223202,COC(=O)C1=Cc2cc(-c3ccc(C4(O)CCC4)cc3)cc(-c3ccc(C)c(C4CCNCC4)c3)c2OC1,NTZSFLQXZRMFPC-UHFFFAOYSA-N
-rxn:5:180662:222960:223202,COC(=O)C1=Cc2cc(-c3ccc(C4(O)CCC4)cc3)cc(-c3cc(C)cc(C4CCNCC4)c3)c2OC1,FMUZPSSMSLFORD-UHFFFAOYSA-N
-rxn:5:180662:222960:223203,COC(=O)C1=Cc2cc(-c3cccc(C4(O)CCC4)c3)cc(-c3cc(C)cc(C4CCNCC4)c3)c2OC1,SVUMVYWRLXKKSM-UHFFFAOYSA-N
-rxn:5:180662:222985:227710,COC(=O)C1=Cc2cc(-c3ccc(OS(C)(=O)=O)cc3)cc(-c3ccc(C4CCCNC4)nc3C)c2OC1,XZJYIVHLDRWMCZ-UHFFFAOYSA-N
-rxn:5:180662:223139:226144,COC(=O)C1=Cc2cc(-c3ccc(C#C[Si](C)(C)C)cc3)cc(-c3ccc(C4CCNCC4)nc3)c2OC1,IDTCVPODLQOWOQ-UHFFFAOYSA-N
-rxn:5:180662:223202:222958,COC(=O)C1=Cc2cc(-c3ccc(C)c(C4CCNCC4)c3)cc(-c3ccc(C4(O)CCC4)cc3)c2OC1,FQIOWAPSSYYRDX-UHFFFAOYSA-N
-rxn:5:180662:223202:222960,COC(=O)C1=Cc2cc(-c3cc(C)cc(C4CCNCC4)c3)cc(-c3ccc(C4(O)CCC4)cc3)c2OC1,SZSJGHWEWJGLSQ-UHFFFAOYSA-N
-rxn:5:180662:225978:226747,CCc1ncc(-c2cc3c(c(-c4ccc(N5CCOCC5)nc4F)c2)OCC(C(=O)OC)=C3)cc1C(F)(F)F,KILZUSSDXSDQSO-UHFFFAOYSA-N
-rxn:5:180662:226645:227803,COC(=O)C1=Cc2cc(-c3ccnn3S(=O)(=O)N(C)C)cc(-c3ccnc(N4CCOCC4)c3)c2OC1,UZXHLJYMNOLSRA-UHFFFAOYSA-N
-rxn:5:181538:225832:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2c(C)nn(C3CCCCO3)c2C)c(C2COC2)c1,IPLWWWKJJRZEBT-UHFFFAOYSA-N
-rxn:5:181904:222959:226330,Cc1cc(-c2ccc(C3OCCO3)c(C)c2-c2ccc(C(C)N3CCCC3)s2)ccc1C1CCNCC1,DMWVGVHFNALMGT-UHFFFAOYSA-N
-rxn:5:181904:225466:225514,Cc1c(C2OCCO2)ccc(-c2ccc(N3CCCCC3C)cc2)c1-c1cccc2c1OCC1(CC1)CO2,YHYGDJPYZAXGNS-UHFFFAOYSA-N
-rxn:5:181904:225684:222958,Cc1ccc(-c2c(-c3ccc(C4CCOCC4)nc3C)ccc(C3OCCO3)c2C)cc1C1CCNCC1,FBBVDZYYLCLUJQ-UHFFFAOYSA-N
-rxn:5:181904:226686:225656,Cc1cnn(C2CCCCO2)c1-c1ccc(C2OCCO2)c(C)c1-c1cncc(N2CCCCC2C)c1,JGTSIVGGNDGYTC-UHFFFAOYSA-N
-rxn:5:181905:222981:225633,Cc1ccc(-c2ccc(N3CCCCCC3)nc2)c(C2OCCO2)c1-c1ccnc(NC2CCCCC2)c1,YLUGZQHTEPFNLK-UHFFFAOYSA-N
-rxn:5:181905:225438:225656,Cc1ccc(-c2cncc(N3CCCCC3C)c2)c(C2OCCO2)c1-c1ccc(C(C)N2CCCC2)cc1,VUAGPZFJRINODK-UHFFFAOYSA-N
-rxn:5:181905:225453:226427,Cc1ccc(-c2cc(N3CCC(C)CC3)cs2)c(C2OCCO2)c1-c1cccc(SC2CCCCC2)c1,JJFREMHKHKWSJV-UHFFFAOYSA-N
-rxn:5:181905:225453:226428,Cc1ccc(-c2cc(N3CCCCC3C)cs2)c(C2OCCO2)c1-c1cccc(SC2CCCCC2)c1,GEGRMNNAVKWQFO-UHFFFAOYSA-N
-rxn:5:181905:225633:226428,Cc1ccc(-c2cc(N3CCCCC3C)cs2)c(C2OCCO2)c1-c1ccc(N2CCCCCC2)nc1,BMYYAAQWCVPGEX-UHFFFAOYSA-N
-rxn:5:181906:225462:225466,Cc1ccc(-c2cccc(N3CCC(C)CC3)c2)c(C2OCCO2)c1-c1ccc(N2CCCCC2C)cc1,INTSHPDCAMZQGM-UHFFFAOYSA-N
-rxn:5:181906:225472:225407,Cc1ccc(-c2cccc(N3CCCCC3C)c2)c(C2OCCO2)c1-c1ccc(C2CCCCCC2)cc1,QTNQDXWLJULLHH-UHFFFAOYSA-N
-rxn:5:181907:222959:225607,Cc1cc(-c2ccc(C3CCNCC3)c(C)c2)c(-c2ccc(C(C)N3CCCCC3)s2)c(C2OCCO2)c1,KTVPBOAAAPUTOH-UHFFFAOYSA-N
-rxn:5:181907:225451:226686,Cc1cc(-c2ccc(SC3CCCCC3)cc2)c(-c2c(C)cnn2C2CCCCO2)c(C2OCCO2)c1,MEWKPLAUPJLEQS-UHFFFAOYSA-N
-rxn:5:181907:225472:225640,Cc1cc(-c2cccc(N3CCCCC3C)c2)c(-c2ccnc(N3CCCCC3C)c2)c(C2OCCO2)c1,HUPDHCIZYWNANR-UHFFFAOYSA-N
-rxn:5:181907:225514:225407,Cc1cc(-c2cccc3c2OCC2(CC2)CO3)c(-c2ccc(C3CCCCCC3)cc2)c(C2OCCO2)c1,HBBYIQFTUVYWJZ-UHFFFAOYSA-N
-rxn:5:181907:225638:225469,Cc1cc(-c2ccc(N3CCC(C)CC3)nc2)c(-c2ccc(N3CCCC(C)C3)cc2)c(C2OCCO2)c1,MTOPEUSZOXGLGS-UHFFFAOYSA-N
-rxn:5:181907:225639:222958,Cc1cc(-c2cccnc2N2CCC(C)CC2)c(-c2ccc(C)c(C3CCNCC3)c2)c(C2OCCO2)c1,AUUIWFWZPJDECK-UHFFFAOYSA-N
-rxn:5:181907:226159:225832,Cc1cc(-c2cccc(N3CCCCC3)c2)c(-c2c(C)nn(C3CCCCO3)c2C)c(C2OCCO2)c1,HLZMXHSJNJOZJD-UHFFFAOYSA-N
-rxn:5:181907:226686:222986,Cc1cc(-c2c(C)cnn2C2CCCCO2)c(-c2cc(C)nc(C3CCCNC3)c2)c(C2OCCO2)c1,FYVVBFTWULVULH-UHFFFAOYSA-N
-rxn:5:181908:222956:225639,Cc1ccc(-c2cc(C)c(C3OCCO3)cc2-c2cccnc2N2CCC(C)CC2)c(C2CCCNC2)c1,AQQOXAUFMZPWRR-UHFFFAOYSA-N
-rxn:5:181908:222959:225462,Cc1cc(-c2cc(C)c(C3OCCO3)cc2-c2cccc(N3CCC(C)CC3)c2)ccc1C1CCNCC1,GZAKCDVWQLAGBC-UHFFFAOYSA-N
-rxn:5:181908:223058:225884,Cc1cc(-c2cc(F)nc(C3CCCNC3)c2)c(-c2ccc(C3COCCO3)c(F)c2)cc1C1OCCO1,HTYMRMRWMMLLSQ-UHFFFAOYSA-N
-rxn:5:181908:225438:225636,Cc1cc(-c2ccc(C(C)N3CCCC3)cc2)c(-c2ccnc(N3CCC(C)CC3)c2)cc1C1OCCO1,TYYHZDDHWRDNIK-UHFFFAOYSA-N
-rxn:5:181908:225634:223001,Cc1cc(-c2cnc(N3CCCCC3)c(C)c2)c(-c2cc(C3CCCNC3)ccc2F)cc1C1OCCO1,RESVUTGRGUCNEO-UHFFFAOYSA-N
-rxn:5:181908:225881:222958,Cc1ccc(-c2cc(C3OCCO3)c(C)cc2-c2ccc(C3CCOCC3)nc2F)cc1C1CCNCC1,CNSCHHLKMBHUIT-UHFFFAOYSA-N
-rxn:5:181908:225884:225671,Cc1cc(-c2ccc(C3COCCO3)c(F)c2)c(-c2cc(C3CCCCC3)ncc2F)cc1C1OCCO1,BAHIGTHXVVJPIL-UHFFFAOYSA-N
-rxn:5:181908:226426:222957,Cc1cc(-c2cc(C3OCCO3)c(C)cc2-c2ccc(N3CCC(C)CC3)s2)cc(C2CCCNC2)c1,ZLEHBYGJDNAMSE-UHFFFAOYSA-N
-rxn:5:182009:222958:225470,Cc1ccc(-c2ccc(-c3ccc(N4CCC(C)CC4)cc3)cc2C2CCOCC2)cc1C1CCNCC1,DZPBDMIYDNRIDP-UHFFFAOYSA-N
-rxn:5:182010:222960:222981,Cc1cc(-c2cc(-c3ccnc(NC4CCCCC4)c3)ccc2C2CCOCC2)cc(C2CCNCC2)c1,XRCSTXWVEPPNLA-UHFFFAOYSA-N
-rxn:5:182010:225832:226374,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2cncnc2C2CCCCC2)ccc1C1CCOCC1,XNEAXWPBMIWDLG-UHFFFAOYSA-N
-rxn:5:182011:222956:225438,Cc1ccc(-c2ccc(C3CCOCC3)cc2-c2ccc(C(C)N3CCCC3)cc2)c(C2CCCNC2)c1,BAICNFGHQWORNS-UHFFFAOYSA-N
-rxn:5:182011:226686:225884,Cc1cnn(C2CCCCO2)c1-c1ccc(C2CCOCC2)cc1-c1ccc(C2COCCO2)c(F)c1,DDLFBNMBKJSMCT-UHFFFAOYSA-N
-rxn:5:182012:222956:226425,Cc1ccc(-c2ccc(-c3ccc(N4CCCCC4C)s3)c(C3CCCOC3)c2)c(C2CCCNC2)c1,GCBXXXMERRAJON-UHFFFAOYSA-N
-rxn:5:182012:222959:225439,Cc1cc(-c2ccc(-c3cccc(C(C)N4CCCC4)c3)c(C3CCCOC3)c2)ccc1C1CCNCC1,NLUXLTOPFSFONZ-UHFFFAOYSA-N
-rxn:5:182012:225472:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2cccc(N3CCCCC3C)c2)cc1C1CCCOC1,PJSIFZIBDZGVKL-UHFFFAOYSA-N
-rxn:5:182012:226686:225472,Cc1cnn(C2CCCCO2)c1-c1ccc(-c2cccc(N3CCCCC3C)c2)c(C2CCCOC2)c1,FSAVORBKUCSOSV-UHFFFAOYSA-N
-rxn:5:182012:226794:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2cnc(N3CCSCC3)nc2)cc1C1CCCOC1,IQGWQWCXAKOMQQ-UHFFFAOYSA-N
-rxn:5:182013:225988:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(-c2c(F)cc(C3OCCO3)cc2F)cc1C1CCOCC1,RJAPFOKCRPJUBW-UHFFFAOYSA-N
-rxn:5:183189:225832:226663,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2ccc(N3CCSCC3)nc2)cc2c1OC(C)(C)OC2,YHBDCFXTBFTVIU-UHFFFAOYSA-N
-rxn:5:188379:222996:223054,CCOC(=O)c1cc(-c2ccc(C(C)N3CCC(O)C3)s2)ncc1-c1ccc(F)cc1C1CCCNC1,OYQIKOKLAGDQSK-UHFFFAOYSA-N
-rxn:5:188459:222956:226749,COC(=O)c1cc([N+](=O)[O-])c(-c2ccc(C)cc2C2CCCNC2)cc1-c1c(OC)cccc1C(F)(F)F,LGSCRIHFIUTUKU-UHFFFAOYSA-N
-rxn:5:188867:222996:226583,CC(C)OC(=O)c1cc(-c2ccc(CN3CCOCC3)s2)ncc1-c1ccc(F)cc1C1CCCNC1,GGMPANVAHDXVGP-UHFFFAOYSA-N
-rxn:5:188867:222996:226662,CC(C)OC(=O)c1cc(-c2ccc(N3CCN(C)CC3)s2)ncc1-c1ccc(F)cc1C1CCCNC1,DJORIYXFRDFOLQ-UHFFFAOYSA-N
-rxn:5:188867:223006:226662,CC(C)OC(=O)c1cc(-c2ccc(N3CCN(C)CC3)s2)ncc1-c1ccc(F)c(C2CCNCC2)c1,UBJYTQZFIOQLPP-UHFFFAOYSA-N
-rxn:5:188867:223007:226583,CC(C)OC(=O)c1cc(-c2ccc(CN3CCOCC3)s2)ncc1-c1cc(F)cc(C2CCNCC2)c1,ARFGHJHFXYURLJ-UHFFFAOYSA-N
-rxn:5:188867:223056:225666,CC(C)OC(=O)c1cc(-c2cc(F)cc(N3CCCCC3)c2)ncc1-c1ccc(N2CCC(O)CC2)nc1,DFWRTFDHMOQKFK-UHFFFAOYSA-N
-rxn:5:188867:223058:226662,CC(C)OC(=O)c1cc(-c2ccc(N3CCN(C)CC3)s2)ncc1-c1cc(F)nc(C2CCCNC2)c1,VJQPFYDGTUJCTL-UHFFFAOYSA-N
-rxn:5:188867:223061:225598,CC(C)OC(=O)c1cc(-c2cccc(CN3CCSCC3)c2)ncc1-c1cc(C2CCNCC2)ncc1F,OZMLLNDBRDDYBZ-UHFFFAOYSA-N
-rxn:5:188867:223063:226662,CC(C)OC(=O)c1cc(-c2ccc(N3CCN(C)CC3)s2)ncc1-c1cc(F)nc(C2CCNCC2)c1,BBRPERROVRJGPX-UHFFFAOYSA-N
-rxn:5:188867:225598:223061,CC(C)OC(=O)c1cc(-c2cc(C3CCNCC3)ncc2F)ncc1-c1cccc(CN2CCSCC2)c1,YEAZFVJOTAHXIK-UHFFFAOYSA-N
-rxn:5:188867:225666:223056,CC(C)OC(=O)c1cc(-c2ccc(N3CCC(O)CC3)nc2)ncc1-c1cc(F)cc(N2CCCCC2)c1,OUTRRSKYCLLFKK-UHFFFAOYSA-N
-rxn:5:188867:225833:226583,CC(C)OC(=O)c1cc(-c2ccc(CN3CCOCC3)s2)ncc1-c1ccnc(N2CCCCC2)c1F,ZGCWUVLNIYHBRB-UHFFFAOYSA-N
-rxn:5:188867:225849:226661,CC(C)OC(=O)c1cc(-c2cc(N3CCN(C)CC3)cs2)ncc1-c1cnc(N2CCCCC2)cc1F,LGVKXMMSDLCIAM-UHFFFAOYSA-N
-rxn:5:188867:225870:226662,CC(C)OC(=O)c1cc(-c2ccc(N3CCN(C)CC3)s2)ncc1-c1cc(F)cc(N2CCOCC2)c1,VLCUJGBUANNSEO-UHFFFAOYSA-N
-rxn:5:188867:226662:223058,CC(C)OC(=O)c1cc(-c2cc(F)nc(C3CCCNC3)c2)ncc1-c1ccc(N2CCN(C)CC2)s1,AFOZRFGTMSBSMH-UHFFFAOYSA-N
-rxn:5:188867:226662:225978,CC(C)OC(=O)c1cc(-c2ccc(N3CCOCC3)nc2F)ncc1-c1ccc(N2CCN(C)CC2)s1,BRLKHCOSMQOXRB-UHFFFAOYSA-N
-rxn:5:188931:225435:226155,COC(=O)c1cc(-c2ccccc2CN2CCCCC2)cc(S(N)(=O)=O)c1-c1cc(C(C)=O)cc(C2CC2)c1,KBPZKCAHKIUGLW-UHFFFAOYSA-N
-rxn:5:189001:223294:225874,COC(=O)C1(c2nc(-c3ccc(F)c(N4CCOCC4)c3)ccc2-c2csc(N3CCNCC3)n2)CC1,XUJXUGHDYQXOKF-UHFFFAOYSA-N
-rxn:5:189001:225870:223294,COC(=O)C1(c2nc(-c3csc(N4CCNCC4)n3)ccc2-c2cc(F)cc(N3CCOCC3)c2)CC1,SEBJUAUARPYDEG-UHFFFAOYSA-N
-rxn:5:189001:225874:223294,COC(=O)C1(c2nc(-c3csc(N4CCNCC4)n3)ccc2-c2ccc(F)c(N3CCOCC3)c2)CC1,ADMAPCCHUYTXCP-UHFFFAOYSA-N
-rxn:5:189001:225976:223131,COC(=O)C1(c2nc(-c3ccc(N4CCNCC4)cc3)ccc2-c2ccnc(N3CCOCC3)c2F)CC1,BOAYUKNGYBZHDU-UHFFFAOYSA-N
-rxn:5:189001:225976:223132,COC(=O)C1(c2nc(-c3cccc(N4CCNCC4)c3)ccc2-c2ccnc(N3CCOCC3)c2F)CC1,PFNJYUXVJBEACH-UHFFFAOYSA-N
-rxn:5:189001:225982:223131,COC(=O)C1(c2nc(-c3ccc(N4CCNCC4)cc3)ccc2-c2cnc(N3CCOCC3)cc2F)CC1,YNBSLVXAYMVZLU-UHFFFAOYSA-N
-rxn:5:189001:225982:223132,COC(=O)C1(c2nc(-c3cccc(N4CCNCC4)c3)ccc2-c2cnc(N3CCOCC3)cc2F)CC1,XZTAGCPYDGEUPD-UHFFFAOYSA-N
-rxn:5:189209:228318:225465,COC(=O)c1ccncc1-c1cc(C(=O)ON2C(=O)CCC2=O)cc(-c2cccc(C3CCN(C)CC3)c2)c1,BZKNJZRAMDRFES-UHFFFAOYSA-N
-rxn:5:189211:228345:226151,COC(=O)c1sc(C)cc1-c1cccc(C(=O)ON2C(=O)CCC2=O)c1-c1cc(C)c(C)cc1OC(C)C,PLNUKMGJSLNQDF-UHFFFAOYSA-N
-rxn:5:189319:225849:226663,CC(C)(C)OC(=O)c1nc(-c2ccc(N3CCSCC3)nc2)ccc1-c1cnc(N2CCCCC2)cc1F,PVKCHNGTTAVEMS-UHFFFAOYSA-N
-rxn:5:189319:225976:226663,CC(C)(C)OC(=O)c1nc(-c2ccc(N3CCSCC3)nc2)ccc1-c1ccnc(N2CCOCC2)c1F,BWLQJPVMZPFZDD-UHFFFAOYSA-N
-rxn:5:189319:226593:225631,CC(C)Oc1ccc(F)c(-c2ccc(-c3ccc(N4CCN(C)CC4)cc3)nc2C(=O)OC(C)(C)C)c1F,GOLIHOVHFJPJHV-UHFFFAOYSA-N
-rxn:5:189320:225976:226663,CC(C)(C)OC(=O)c1cnc(-c2ccc(N3CCSCC3)nc2)c(-c2ccnc(N3CCOCC3)c2F)c1,KOICUMGEMWAHMZ-UHFFFAOYSA-N
-rxn:5:189320:226794:225804,CC(C)(C)OC(=O)c1cnc(-c2ccc(C(=O)N3CCC3)c(F)c2)c(-c2cnc(N3CCSCC3)nc2)c1,LOZKBYNLNCZNNM-UHFFFAOYSA-N
-rxn:5:189322:226662:227279,CC(C)n1nc(C2CC2)cc1-c1ncc(-c2ccc(N3CCN(C)CC3)s2)cc1C(=O)OC(C)(C)C,VYFUJNVOGFLHTM-UHFFFAOYSA-N
-rxn:5:189334:225872:226663,CC(C)(C)OC(=O)c1ncc(-c2cc(F)c(F)c(N3CCCC3)c2)cc1-c1ccc(N2CCSCC2)nc1,WWFKVNQPZOGCAU-UHFFFAOYSA-N
-rxn:5:189334:226663:225849,CC(C)(C)OC(=O)c1ncc(-c2ccc(N3CCSCC3)nc2)cc1-c1cnc(N2CCCCC2)cc1F,XIACKJJKKSWCRS-UHFFFAOYSA-N
-rxn:5:189334:226663:225976,CC(C)(C)OC(=O)c1ncc(-c2ccc(N3CCSCC3)nc2)cc1-c1ccnc(N2CCOCC2)c1F,VMVGBCRJPVDMPD-UHFFFAOYSA-N
-rxn:5:189448:226152:226150,COc1cc(C2CC2)cc(-c2ccc(C(=O)N3CC(OC)C3)cc2-c2cccc(SC3CCCC3)c2)c1C,YSJYOPZETRAGKD-UHFFFAOYSA-N
-rxn:5:189538:225450:223189,CC(C)N(C)C(=O)c1ccc(-c2ccc(C(=O)C3CCCC3)cc2)c(-c2ccc(NS(C)(=O)=O)cc2F)c1,HUPCZULDPHZVTC-UHFFFAOYSA-N
-rxn:5:189540:225833:225871,COC1CN(Cc2cc(-c3ccnc(N4CCCCC4)c3F)ccc2-c2cccc(N3C(=O)C=CC3=O)c2)C1,KIDFAFUQVHHYST-UHFFFAOYSA-N
-rxn:5:189664:225437:227592,COc1cc(F)cc(-c2cc(-c3cccc(CN4CCCCC4)c3)ccc2CC(=O)N2CCCC2)c1OC,HAWMNERXVWWVAP-UHFFFAOYSA-N
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-rxn:5:190335:227045:227810,CCC(C)c1ccc(-c2cc(C(=O)N3CCCCC3C)cc(-c3cccc(SC(C)(C)C)c3)c2OC)cc1,QYNQQWVLEVCRGB-UHFFFAOYSA-N
-rxn:5:190336:223287:227926,CNS(=O)(=O)c1ccc(-c2cc(C(=O)N3CCCC(C)C3)cc(-c3ccc(SC(C)C)cc3)c2OC)cc1,IVFOUHDIXQLWGQ-UHFFFAOYSA-N
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-rxn:5:190459:226974:226058,CC(C)c1cccc(C(C)C)c1-c1ccccc1C1CCN(C(=O)c2ccccc2-c2ccc3c(c2)COC3(C)C)CCS1,GPPABWXKLCSGJT-UHFFFAOYSA-N
-rxn:5:190484:226341:227089,COc1cc(F)c(C(C)C)cc1-c1cccc(C(=O)N2CCC(c3ccccc3-c3ccncc3C3CCCC3)S(=O)(=O)CC2)c1,XTPFZOQAMYUFGG-UHFFFAOYSA-N
-rxn:5:190484:226444:228437,Cc1nc(C2CCCO2)ccc1-c1cccc(C(=O)N2CCC(c3ccccc3-c3ccc(C(F)F)cc3F)S(=O)(=O)CC2)c1,RMFZSFVJFFCLIS-UHFFFAOYSA-N
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-rxn:5:190484:226589:227860,CC(C)c1cnc(C(F)F)cc1-c1cccc(C(=O)N2CCC(c3ccccc3-c3ccc4c(c3)CCN4C)S(=O)(=O)CC2)c1,WCTNRQRBIFIUGB-UHFFFAOYSA-N
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-rxn:5:190484:227976:227089,C[Si](C)(C)c1ccc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4ccncc4C4CCCC4)S(=O)(=O)CC3)c2)cc1,QRTLITHWYIGGLX-UHFFFAOYSA-N
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-rxn:5:190484:228811:223186,CSc1ccc(F)c(-c2cccc(C(=O)N3CCC(c4ccccc4-c4cnn(C5CCCCO5)c4)S(=O)(=O)CC3)c2)c1,SENMQANRTNWKLX-UHFFFAOYSA-N
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-rxn:5:190742:225654:225833,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(N4CCCC(C)C4)nc3)c2c1-c1ccnc(N2CCCCC2)c1F,YGAGXUQIVMKUSB-UHFFFAOYSA-N
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-rxn:5:190744:223056:225849,CCOC(=O)c1cnc2c(-c3ccc(N4CCC(O)CC4)nc3)c(C)ccc2c1-c1cnc(N2CCCCC2)cc1F,OJYKQWAOVIXGNB-UHFFFAOYSA-N
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-rxn:5:190744:225849:225639,CCOC(=O)c1cnc2c(-c3cnc(N4CCCCC4)cc3F)c(C)ccc2c1-c1cccnc1N1CCC(C)CC1,WXWNWSFQKXAAII-UHFFFAOYSA-N
-rxn:5:190797:225453:226154,COc1cc(C(C)(C)C)ccc1-c1cc(-c2cccc(SC3CCCCC3)c2)cc2c1ccn2C(=O)OC(C)(C)C,GZLJLVDWTZMJLI-UHFFFAOYSA-N
-rxn:5:190859:225453:228621,CSc1cc(C)ccc1-c1c(-c2cccc(SC3CCCCC3)c2)ccc2c1CCN2C(=O)OC(C)(C)C,VPCGNKVHXOUGBJ-UHFFFAOYSA-N
-rxn:5:190859:226085:227788,CC(C)(C)OC(=O)N1CCc2c1ccc(-c1ccc3c(c1)CCC(C)(C)O3)c2-c1cc(C(F)(F)F)cnc1F,HYZKJXVPIXWLLQ-UHFFFAOYSA-N
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-rxn:5:191049:225980:225982,COc1cc(N2Cc3cc(-c4cc(N5CCOCC5)ncc4F)ccc3OCC2=O)c(OC)cc1-c1cnc(N2CCOCC2)cc1F,FHEYQPVKEOOCBM-UHFFFAOYSA-N
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-rxn:5:191049:228556:225451,COCc1ccc(-c2ccc3c(c2)CN(c2cc(OC)c(-c4ccc(SC5CCCCC5)cc4)cc2OC)C(=O)CO3)cc1,WIHOHNFOCHHSRO-UHFFFAOYSA-N
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-rxn:5:193155:226686:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(-c2c(C)cnn2C2CCCCO2)c(CN2CCCC2)c1,ISTXORJWTOMAMV-UHFFFAOYSA-N
-rxn:5:193226:223006:227316,CC(C)Cc1cc(-c2cc(C(=O)N3CCOCC3)ccc2-c2ccc(F)c(C3CCNCC3)c2)cc(F)n1,QWMGODBDNBHYIN-UHFFFAOYSA-N
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-rxn:5:193333:226686:223136,Cc1cnn(C2CCCCO2)c1-c1ccc(CN2CCOCC2)cc1-c1ccncc1C1CCCNC1,QKKIKZAGOSLOQH-UHFFFAOYSA-N
-rxn:5:193335:226064:226686,Cc1cnn(C2CCCCO2)c1-c1cccc(-c2ccc(C3CCCCC3)cc2)c1CN1CCOCC1,HRKYBXFKSBDDAC-UHFFFAOYSA-N
-rxn:5:193336:226177:226686,Cc1cnn(C2CCCCO2)c1-c1c(CN2CCOCC2)cccc1-c1ccnc(C2CCCCC2)c1,SBNVIRVMJQAMDM-UHFFFAOYSA-N
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-rxn:5:193382:223062:225684,Cc1nc(C2CCOCC2)ccc1-c1cc(-c2cnc(C3CCNCC3)cc2F)ccc1S(=O)(=O)N1CCOCC1,ZARJAVDRTOUNGE-UHFFFAOYSA-N
-rxn:5:193382:223137:225976,O=S(=O)(c1ccc(-c2cncc(C3CCCNC3)c2)cc1-c1ccnc(N2CCOCC2)c1F)N1CCOCC1,HUIOHZRUUOFCOB-UHFFFAOYSA-N
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-rxn:5:193382:223285:227449,CS(=O)(=O)Nc1ccccc1-c1ccc(S(=O)(=O)N2CCOCC2)c(-c2ccc(C3CCOCC3)s2)c1,QKRKKMCBWKTHLV-UHFFFAOYSA-N
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-rxn:5:193382:226446:225980,Cc1nc(C2CCOC2)ccc1-c1ccc(S(=O)(=O)N2CCOCC2)c(-c2cc(N3CCOCC3)ncc2F)c1,QSLCSQRYMOGOHO-UHFFFAOYSA-N
-rxn:5:193382:226446:227438,Cc1nc(C2CCOC2)ccc1-c1ccc(S(=O)(=O)N2CCOCC2)c(-c2ccnc(C3CCOC3)c2)c1,RJAUHOMQEBKZAA-UHFFFAOYSA-N
-rxn:5:193382:227432:223004,Cc1nc(C2COC2)ccc1-c1ccc(S(=O)(=O)N2CCOCC2)c(-c2ccc(C3CCNCC3)c(F)c2)c1,IPPIUUBDSCJUCO-UHFFFAOYSA-N
-rxn:5:193382:227437:222988,Cc1cc(-c2cc(-c3ccnc(C4CCCO4)c3)ccc2S(=O)(=O)N2CCOCC2)cc(C2CCNCC2)n1,NWDUCAGLYBDBKB-UHFFFAOYSA-N
-rxn:5:193382:227438:223136,O=S(=O)(c1ccc(-c2ccnc(C3CCOC3)c2)cc1-c1ccncc1C1CCCNC1)N1CCOCC1,FIAXINJKAOXFKP-UHFFFAOYSA-N
-rxn:5:193382:227958:222960,Cc1cc(-c2cc(-c3ccnc(C4CCC4)c3)ccc2S(=O)(=O)N2CCOCC2)cc(C2CCNCC2)c1,KWQLZCCLMVMDGF-UHFFFAOYSA-N
-rxn:5:193464:223189:226768,CSc1ccc(-c2cc(-c3ccc(NS(C)(=O)=O)cc3F)ccc2C2(C#N)CCCCC2)cc1C(F)(F)F,MCXLEKJUKKAOSP-UHFFFAOYSA-N
-rxn:5:193464:225394:227349,COc1cc(C)cc(-c2cc(-c3cc(C4CCC4)cc(C4CC4)c3)ccc2C2(C#N)CCCCC2)c1OC,ADQUPVJEFUPMTB-UHFFFAOYSA-N
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-rxn:5:193506:223146:228692,CN(C)Cc1ccc(-c2cc(-c3cccc(C4CNCCO4)c3)ccc2S(=O)(=O)N2CCC(=O)CC2)s1,CTIMNZSXPBAHGF-UHFFFAOYSA-N
-rxn:5:193506:223240:227505,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(C4CCNC4)nc3)cc2-c2ccc(/C=C/[N+](=O)[O-])cc2)CC1,PLVNYFYCALWMBV-MHWRWJLKSA-N
-rxn:5:193506:225805:223011,CC(C)Oc1cc2cn[nH]c2cc1-c1cc(-c2ccc(C(C)N3CCOCC3)s2)ccc1S(=O)(=O)N1CCC(=O)CC1,UPTBMXPDHBCYAN-UHFFFAOYSA-N
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-rxn:5:193540:227120:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2ccc(C3CCC3)cc2F)ccc1CN1CCCCC1,MTOCSCYFFYPZDJ-UHFFFAOYSA-N
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-rxn:5:193652:225674:227279,CC(C)n1nc(C2CC2)cc1-c1ccc(C=C2N=C(c3ccc(-c4cnc(C5CCCCC5)cc4F)cc3)OC2=O)cc1,IKYPVRJMSPTHSD-UHFFFAOYSA-N
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-rxn:5:193749:227375:226174,CC1CCCCN1C(=O)c1cc(-c2ccc(N3CCCC3)nc2)ccc1-c1ccc(C2CCCCC2)nc1,OHBJCENJAGFJAW-UHFFFAOYSA-N
-rxn:5:193750:223281:225595,CC1CCN(C(=O)c2cc(-c3ccc(C4(O)COC4)nc3)ccc2-c2ccc(F)c(CN3CCCC3)c2)CC1,UZPLESHOMLLBDE-UHFFFAOYSA-N
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-rxn:5:193756:225834:225938,CC1CCCCN1C(=O)c1ccc(-c2cc(N3CCCCC3)ncc2F)cc1-c1cc(C(F)(F)F)ncc1C1CC1,ASKVUJFEPQVNKT-UHFFFAOYSA-N
-rxn:5:193756:226849:225833,COc1nccc(-c2ccc(C(=O)N3CCCCC3C)c(-c3ccnc(N4CCCCC4)c3F)c2)c1C(F)(F)F,FTCSKRUAHFJZGS-UHFFFAOYSA-N
-rxn:5:193756:228320:225636,COC(=O)c1cc(-c2ccc(C(=O)N3CCCCC3C)c(-c3ccnc(N4CCC(C)CC4)c3)c2)ccn1,VQVGQZKLAUYYHC-UHFFFAOYSA-N
-rxn:5:193807:225453:227592,COc1cc(F)cc(-c2cccc(CN3CCC(C)CC3)c2-c2cccc(SC3CCCCC3)c2)c1OC,OQZKCZJCKIDEFF-UHFFFAOYSA-N
-rxn:5:193808:226183:227390,CC1CCN(Cc2cc(-c3cnccc3C3CCCCC3)ccc2-c2ccnn2C2CCCCC2)CC1,XIKTYLNJOSPEJG-UHFFFAOYSA-N
-rxn:5:193809:226686:227446,Cc1cnn(C2CCCCO2)c1-c1ccc(CN2CCC(C)CC2)c(-c2ccc(C3OCCO3)cc2)c1,RJZVHNGCVMXIAC-UHFFFAOYSA-N
-rxn:5:193866:223112:225592,CC(C)c1ccc2[nH]ncc2c1-c1ccc(C2(N3CCC(=O)CC3)CC2)cc1-c1cc(F)ccc1CN1CCCC1,DBULBRCNLFFGMW-UHFFFAOYSA-N
-rxn:5:193866:223112:225594,CC(C)c1ccc2[nH]ncc2c1-c1ccc(C2(N3CCC(=O)CC3)CC2)cc1-c1ccc(F)cc1CN1CCCC1,RZJXXQNDRLQZHT-UHFFFAOYSA-N
-rxn:5:193866:225439:225886,CC(c1cccc(-c2ccc(C3(N4CCC(=O)CC4)CC3)cc2-c2ccc3c(ccn3S(C)(=O)=O)c2)c1)N1CCCC1,AYNSDHFBTZHFGM-UHFFFAOYSA-N
-rxn:5:193866:225450:228616,CSc1ccc(-c2cc(C3(N4CCC(=O)CC4)CC3)ccc2-c2ccc(C(=O)C3CCCC3)cc2)c(C)c1,PQESTCQJTKALKP-UHFFFAOYSA-N
-rxn:5:193866:225592:223112,CC(C)c1ccc2[nH]ncc2c1-c1cc(C2(N3CCC(=O)CC3)CC2)ccc1-c1cc(F)ccc1CN1CCCC1,XIQMASUJZHHGKY-UHFFFAOYSA-N
-rxn:5:193866:225594:223112,CC(C)c1ccc2[nH]ncc2c1-c1cc(C2(N3CCC(=O)CC3)CC2)ccc1-c1ccc(F)cc1CN1CCCC1,LTWKBFGKOHGESD-UHFFFAOYSA-N
-rxn:5:193866:226190:228148,COc1cccc(-c2cc(C3(N4CCC(=O)CC4)CC3)ccc2-c2ccc(C3CCCC3)cc2F)c1OC,QECRRNKRONBDJF-UHFFFAOYSA-N
-rxn:5:193866:226907:227588,COc1cc(F)cc(OC)c1-c1cc(C2(N3CCC(=O)CC3)CC2)ccc1-c1cccc2c1CCC21CC1,GWXTWPYBDAOCIZ-UHFFFAOYSA-N
-rxn:5:193867:223112:226661,CC(C)c1ccc2[nH]ncc2c1-c1cc(-c2cc(N3CCN(C)CC3)cs2)cc(C2(N3CCC(=O)CC3)CC2)c1,PXFJJTWIFLBJIY-UHFFFAOYSA-N
-rxn:5:193867:225440:228616,CSc1ccc(-c2cc(-c3ccc(C4(C#N)CCCC4)cc3)cc(C3(N4CCC(=O)CC4)CC3)c2)c(C)c1,OZNRRJYZWVJTHC-UHFFFAOYSA-N
-rxn:5:193867:225944:225436,CC(C)Oc1c(F)cc(F)c(-c2cc(-c3ccc(CN4CCCCC4)cc3)cc(C3(N4CCC(=O)CC4)CC3)c2)c1F,AHPPQXFEBMHSDE-UHFFFAOYSA-N
-rxn:5:193867:226729:227023,CC(c1ccc(-c2cc(-c3cnc(OC4CCOC4)nc3)cc(C3(N4CCC(=O)CC4)CC3)c2)cc1)N(C)C,GOTKTUKFDNFQOZ-UHFFFAOYSA-N
-rxn:5:193867:226729:227024,CC(c1cccc(-c2cc(-c3cnc(OC4CCOC4)nc3)cc(C3(N4CCC(=O)CC4)CC3)c2)c1)N(C)C,FDMBLARKEDKIQA-UHFFFAOYSA-N
-rxn:5:193867:227045:227048,CC(C)C(=O)c1ccc(-c2cc(-c3cccc(SC(C)(C)C)c3)cc(C3(N4CCC(=O)CC4)CC3)c2)cc1,HXLKRPYFKUSGQZ-UHFFFAOYSA-N
-rxn:5:193868:226041:223189,CC1CN(C(=O)c2cc(-c3c([N+](=O)[O-])cccc3C(F)(F)F)ccc2-c2ccc(NS(C)(=O)=O)cc2F)CC(C)O1,UUGIEIPKVSIRLP-UHFFFAOYSA-N
-rxn:5:193869:223400:226652,CNCc1cccc(-c2cc(C)c(-c3cc(C)nn3C3CCCCO3)cc2S(=O)(=O)N2CCCCC2)c1,IIKJWLMFAJYWCJ-UHFFFAOYSA-N
-rxn:5:193869:226444:228415,Cc1cc(-c2ccc(C3CCCO3)nc2C)c(S(=O)(=O)N2CCCCC2)cc1-c1cc(F)ccc1C(F)F,DAFXWFINXLCMOW-UHFFFAOYSA-N
-rxn:5:193870:223312:223146,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cccc(C3CNCCO3)c2)cc1-c1ccc(C2CNC2)cc1,QELJRTIZZJIUCV-UHFFFAOYSA-N
-rxn:5:193870:226768:228253,CSc1ccc(-c2cc(-c3ccc(P(C)(C)=O)cc3)c(S(=O)(=O)N3CCCCC3)cc2C)cc1C(F)(F)F,DUMWXXAWDZIASB-UHFFFAOYSA-N
-rxn:5:193870:227045:227713,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cc(F)ccc2OC(F)F)cc1-c1cccc(SC(C)(C)C)c1,UVRMPEYGNBGPAR-UHFFFAOYSA-N
-rxn:5:193871:225470:225886,CC1CCN(c2ccc(-c3cc(C(=O)N4CCC5(CC4)CC5)ccc3-c3ccc4c(ccn4S(C)(=O)=O)c3)cc2)CC1,XAMFJFKSWBYMFK-UHFFFAOYSA-N
-rxn:5:193872:225450:227045,CC(C)(C)Sc1cccc(-c2cc(C(=O)N3CCC4(CC3)CC4)ccc2-c2ccc(C(=O)C3CCCC3)cc2)c1,KBZWKJUIHDEQTI-UHFFFAOYSA-N
-rxn:5:193872:225465:225886,CN1CCC(c2cccc(-c3ccc(C(=O)N4CCC5(CC4)CC5)cc3-c3ccc4c(ccn4S(C)(=O)=O)c3)c2)CC1,DQPSAJMTUBSKOT-UHFFFAOYSA-N
-rxn:5:193872:226058:223285,CC(C)c1cccc(C(C)C)c1-c1ccc(C(=O)N2CCC3(CC2)CC3)cc1-c1ccccc1NS(C)(=O)=O,RCYKQVIOWFPHMU-UHFFFAOYSA-N
-rxn:5:193912:225823:227316,CC(C)Cc1cc(-c2ccc(C3C(=O)N(c4ccc(-c5cc(C(C)C)cc(C(F)(F)F)c5)cc4)C(=O)CS3=O)cc2)cc(F)n1,NXJDFIYBSRRXEC-UHFFFAOYSA-N
-rxn:5:193932:226762:223284,CSc1cc(-c2cc(C(=O)N3CC(C)CC(C)C3)ccc2-c2ccc(NS(C)(=O)=O)cc2)cc(C(F)(F)F)c1,AZZWUOBWBKOGBZ-UHFFFAOYSA-N
-rxn:5:193932:227065:223285,CC1CC(C)CN(C(=O)c2ccc(-c3ccccc3NS(C)(=O)=O)c(-c3cccc(C(=O)C(C)C)c3)c2)C1,JQNYNQIFLREJLA-UHFFFAOYSA-N
-rxn:5:193968:225886:227065,CC(C)C(=O)c1cccc(-c2ccc(-c3ccc4c(ccn4S(C)(=O)=O)c3)cc2CN2CCC3(CC2)OCCO3)c1,IPNJQKQIHZJDEB-UHFFFAOYSA-N
-rxn:5:193968:227102:225886,CC(C)(C)c1ccc(F)c(-c2ccc(-c3ccc4c(ccn4S(C)(=O)=O)c3)c(CN3CCC4(CC3)OCCO4)c2)c1,VLEQYDWFDLIEBO-UHFFFAOYSA-N
-rxn:5:193972:226342:227692,COC(=O)c1c(C)cc(-c2cc(C)c(-c3cccc([N+](=O)[O-])c3OC)cc2S(=O)(=O)N2CCCCCC2)cc1C,HRTOIAGTGIWAOS-UHFFFAOYSA-N
-rxn:5:193972:226761:228808,CSc1cc(F)cc(-c2cc(S(=O)(=O)N3CCCCCC3)c(-c3ccc(SC)cc3C(F)(F)F)cc2C)c1,WNYOYLLSRHBDJS-UHFFFAOYSA-N
-rxn:5:193972:226762:226414,CSc1cc(-c2cc(C)c(-c3ccc(C4=NCCCO4)cc3)cc2S(=O)(=O)N2CCCCCC2)cc(C(F)(F)F)c1,UVVZTILKCXZLEK-UHFFFAOYSA-N
-rxn:5:193972:227045:228253,Cc1cc(-c2cccc(SC(C)(C)C)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc(P(C)(C)=O)cc1,QKHAQABCCYUQPR-UHFFFAOYSA-N
-rxn:5:193972:228005:227724,CSc1cc(C)c(-c2cc(C)c(-c3cc(OC(F)F)ccc3F)cc2S(=O)(=O)N2CCCCCC2)cc1C,CZNBZMORDNLZGT-UHFFFAOYSA-N
-rxn:5:193972:229169:226349,Cc1cc(-c2cscc2C(F)F)c(S(=O)(=O)N2CCCCCC2)cc1-c1cc(F)cc(OC(C)(C)C)c1,SHFBFHTWSLPPMS-UHFFFAOYSA-N
-rxn:5:194561:226862:226665,O=C(c1cc(-c2cccc(OC(F)(F)F)c2F)ccc1-c1cnc(C2CCCOC2)nc1)N1C2CCC1COC2,WGGKJNZJXLPFTR-UHFFFAOYSA-N
-rxn:5:194688:227684:223065,COc1cc(-c2ccc(N3CCNCC3)cc2F)cc2c1OCC(=O)N(c1ccc(-c3cnn(CC4OCCO4)c3)cc1)C2,BNVDVCLVTHKXII-UHFFFAOYSA-N
-rxn:5:194733:227302:229188,Cc1cc(-c2ccc(-c3ccnc(F)c3F)c(C(=O)N3C4CCC3CC(=C3CC3)C4)c2)cnc1OC(C)C,BKQKPPJUZRVUQC-UHFFFAOYSA-N
-rxn:5:194767:226382:228145,COc1ccc(C#N)c(-c2ccc(-c3cnc(C4CCCCC4)nc3)cc2C(=O)N2CCCC3(C2)OC(=O)c2ccccc23)c1,BZFWKNPHPWVPRR-UHFFFAOYSA-N
-rxn:5:194767:226395:226644,O=C1OC2(CCCN(C(=O)c3cc(-c4cncc(N5CCCCC5)c4)ccc3-c3cncc(N4CCOCC4)c3)C2)c2ccccc21,RZYSBCRXHGCLHV-UHFFFAOYSA-N
-rxn:5:194782:228334:223311,CCOc1cnc(F)c(-c2ccc(-c3cccc(C4CNC4)c3)c(C(=O)N3CCC4(CC3)CC(=O)c3ccccc3O4)c2)c1,WAUAIRXCMHQXTG-UHFFFAOYSA-N
-rxn:5:194782:228517:227517,CC#Cc1ccccc1-c1ccc(-c2ccc(OC3COC3)nc2)c(C(=O)N2CCC3(CC2)CC(=O)c2ccccc2O3)c1,IKVQNBLALMNQBJ-UHFFFAOYSA-N
-rxn:5:194786:225451:225407,CC1(C)CC(=O)c2cc(-c3ccc(-c4ccc(SC5CCCCC5)cc4)cc3)n(-c3ccc(-c4ccc(C5CCCCCC5)cc4)cc3)c2C1,SEILEHKAJHTEDG-UHFFFAOYSA-N
-rxn:5:196408:222959:225683,Cc1cc(-c2cc(-c3ccc(C4CCCOC4)nc3C)ccc2C2=NOCCO2)ccc1C1CCNCC1,VMKMKZYHCGCNLN-UHFFFAOYSA-N
-rxn:5:196408:226187:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(C2=NOCCO2)c(-c2cccc(C3CCOCC3)c2)c1,DQIMPHSANFCCKY-UHFFFAOYSA-N
-rxn:5:196408:226374:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(C2=NOCCO2)c(-c2cncnc2C2CCCCC2)c1,PTAPVPCXLYCPLH-UHFFFAOYSA-N
-rxn:5:196408:226766:223054,Cc1ccc(OC(F)(F)F)c(-c2cc(-c3ccc(C(C)N4CCC(O)C4)s3)ccc2C2=NOCCO2)c1,QHZABUGPLHCKDP-UHFFFAOYSA-N
-rxn:5:196679:225439:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2cccc(C(C)N3CCCC3)c2)c(N2CCCC2)c1,XRYHPQWJPYSKQV-UHFFFAOYSA-N
-rxn:5:196789:225834:223294,O=C1COCCN1c1ccc(-c2cc(N3CCCCC3)ncc2F)cc1-c1csc(N2CCNCC2)n1,LNPWVYXDBDXHSK-UHFFFAOYSA-N
-rxn:5:196792:223294:225849,O=C1COCCN1c1cc(-c2cnc(N3CCCCC3)cc2F)ccc1-c1csc(N2CCNCC2)n1,QXAYJGXNUCHTRC-UHFFFAOYSA-N
-rxn:5:196794:225849:223294,O=C1COCCN1c1cc(-c2cnc(N3CCCCC3)cc2F)ccc1-c1csc(N2CCNCC2)n1,QXAYJGXNUCHTRC-UHFFFAOYSA-N
-rxn:5:196858:222959:222957,Cc1cc(-c2cc(C3CCOCC3)ncc2-c2ccc(C3CCNCC3)c(C)c2)cc(C2CCCNC2)c1,KJCXXYKDWSMHOC-UHFFFAOYSA-N
-rxn:5:196858:225438:222956,Cc1ccc(-c2cc(C3CCOCC3)ncc2-c2ccc(C(C)N3CCCC3)cc2)c(C2CCCNC2)c1,LSGJWNXPRMGJPT-UHFFFAOYSA-N
-rxn:5:196870:223137:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2cncc(C3CCCNC3)c2)cc(N2CCOCC2)c1,HPZMKUCWFNIKDY-UHFFFAOYSA-N
-rxn:5:196969:222989:226686,Cc1cc(N2CCNCC2)ccc1-c1cnc(C2CCCCC2)cc1-c1c(C)cnn1C1CCCCO1,CNXNCYBAMRCELK-UHFFFAOYSA-N
-rxn:5:196969:225439:225407,CC(c1cccc(-c2cnc(C3CCCCC3)cc2-c2ccc(C3CCCCCC3)cc2)c1)N1CCCC1,DPGBFIQGTUTYFR-UHFFFAOYSA-N
-rxn:5:196969:225653:226686,Cc1cnn(C2CCCCO2)c1-c1cc(C2CCCCC2)ncc1-c1ccc(N2CCCCC2C)nc1,ALUPFSHMSSHASW-UHFFFAOYSA-N
-rxn:5:196970:226686:225435,Cc1cnn(C2CCCCO2)c1-c1c(C2CCCCC2)ccnc1-c1ccccc1CN1CCCCC1,VVKQAXYWCVMZDS-UHFFFAOYSA-N
-rxn:5:196970:226686:225436,Cc1cnn(C2CCCCO2)c1-c1c(C2CCCCC2)ccnc1-c1ccc(CN2CCCCC2)cc1,XXMOBFVMCQHMFY-UHFFFAOYSA-N
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-rxn:4:178597:224164,Cc1cc2cnn(C3CCCCO3)c2cc1-c1ccc(OC(=O)C2OC3OC(C)(C)OC3C3OC(C)(C)OC23)cc1,ZWDBYGSLFBFSCG-UHFFFAOYSA-N
-rxn:4:178597:229328,Cn1cc(-c2ccc(OC(=O)C3OC4OC(C)(C)OC4C4OC(C)(C)OC34)cc2)nn1,YAIIWFMTOVMJBX-UHFFFAOYSA-N
-rxn:4:178851:223491,COC(=O)c1ccc(-c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)cc(C(F)(F)F)c2)cc1F,BTQWIDGQSWUIGL-UHFFFAOYSA-N
-rxn:4:179096:223559,CSc1cc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)cc(C(F)F)c1Cl,SNCXVGMYYINGQR-UHFFFAOYSA-N
-rxn:4:179899:223845,CN1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2c(C3OCCO3)cccc2C(F)(F)F)CC1,DRIMTZMPLOBPFK-UHFFFAOYSA-N
-rxn:4:180393:223712,COc1ccc(-c2ccc(C3CCOC3)c(C3CC3)c2)cc1C12CC3CC(CC(C3)C1)C2,ABDUMPAFXMQFIZ-UHFFFAOYSA-N
-rxn:4:180792:224765,CCOC1CCC2(CC1)Cc1ccc(-c3cc(C(F)(F)F)ccc3N3CCCC3)cc1C2=O,GPFCYHADYMSFGL-UHFFFAOYSA-N
-rxn:4:180815:224884,COc1ccc(-c2cccc(CN3CCC(C)CC3)c2)cc1C12CC3CC(CC(C3)C1)C2,PNBIUPYLXONKAM-UHFFFAOYSA-N
-rxn:4:181935:223536,Cc1cc(C2CC2)cc(C)c1-c1cc(F)c(F)c(N2CCN(C(=O)OC(C)(C)C)CC2)c1,PKXNUUZEMVXWFT-UHFFFAOYSA-N
-rxn:4:182104:223557,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc(C4=CCC5(CC4)OCCO5)cc3)c(F)ccc21,YPRDSADISSRAML-UHFFFAOYSA-N
-rxn:4:182322:223920,CSc1sc(-c2ccc(C(=O)N(C)C3CCCCC3)cc2Cl)c2c1C(=O)CC(C)(C)C2,BUXCLGPJBLICFO-UHFFFAOYSA-N
-rxn:4:182372:224587,CO[C@H]1CC[C@]2(CC1)Cc1ccc(-c3ccc(CN4CCC(C)CC4)c(F)c3)cc1C2=O,NMTBBUXEKBGWRV-XBTDCMMSSA-N
-rxn:4:182376:225234,CO[C@H]1[C@H](C)C[C@@]2(Cc3ccc(-c4ccc(N5CCCCC5)c(F)c4F)cc3C2=O)C[C@@H]1C,WTFQUEMBVCYCHN-OSELZAKSSA-N
-rxn:4:182376:225946,CO[C@H]1[C@H](C)C[C@@]2(Cc3ccc(-c4cc(C(C)=O)cc(C(F)(F)F)c4)cc3C2=O)C[C@@H]1C,QGMYCSRNYIDGOJ-BGJYYRJSSA-N
-rxn:4:182409:223570,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc4cc(C56CC7CC(CC(C7)C5)C6)ccc4c3)c(F)ncc21,CPKFWWKHDCQAKI-UHFFFAOYSA-N
-rxn:4:183196:223531,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc4c(c3)OCC(F)(F)C(F)(F)CO4)cc2Cl)CC1,VRRMFNHFFPCKHB-UHFFFAOYSA-N
-rxn:4:183270:223635,Cc1cc2c(cc1-c1ccc(C3CCN(C(=O)OC(C)(C)C)CC3)cc1)C(C)(C)CCC2(C)C,XHUIHAHGLUYNMT-UHFFFAOYSA-N
-rxn:4:183271:225005,CC(c1cccc(-c2ccc3c(c2)OCCOCCOCCOCCO3)c1)N1CCOCC1,LFKALVSTNHYKBU-UHFFFAOYSA-N
-rxn:4:183271:225652,CC1CCCN(c2cncc(-c3ccc4c(c3)OCCOCCOCCOCCO4)c2)C1,BPMOWHIBDGUOLG-UHFFFAOYSA-N
-rxn:4:183272:227432,Cc1nc(C2COC2)ccc1-c1ccc2c(c1)OCCOCCOCCOCCOCCO2,GHKTZRGURFKAQF-UHFFFAOYSA-N
-rxn:4:183273:228845,Cc1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c(F)cc1Cl,CMADBAFFUBVVHN-UHFFFAOYSA-N
-rxn:4:183274:228844,Cc1c(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCOCCO3)ccc(F)c1F,GETNMHPJIQPCOR-UHFFFAOYSA-N
-rxn:4:183586:225852,COC(=O)C(C(=O)OC)c1c([N+](=O)[O-])ccc(F)c1-c1cnc(C2CCCCC2)nc1Cl,CCNRISBWVLOOFN-UHFFFAOYSA-N
-rxn:4:183599:222777,CON(C)C(=O)c1cc(OCC(F)(F)F)cc(-c2ccc(CN3CCC(O)CC3)c(Cl)c2)c1,FBXJJMIKAUIGHK-UHFFFAOYSA-N
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-rxn:4:183669:225829,COC(=O)CSC1CCN(C(=O)c2ccc(-c3cnc(N4CCC(C)CC4)nc3)o2)C1,YRZNNDHPGRMKQT-UHFFFAOYSA-N
-rxn:4:183750:222476,Cc1cccc(CNC(=O)c2cc(-c3cc(OC(F)(F)F)ccc3OCCN3CCOCC3)ccc2Cl)c1,MPFCZAZTQCSLPK-UHFFFAOYSA-N
-rxn:4:183762:225219,COC(=O)c1cc(OCCN2CCCC2)cc(-c2cnc(N3CCCCC3C)cc2F)c1,WYCXDKLXADAHNP-UHFFFAOYSA-N
-rxn:4:183770:222564,O=C(NCc1ccc(Cl)cc1)c1cccc(-c2ccc(OC(F)(F)F)cc2OCC(=O)N2CCCCC2)c1,WWULMICORZEMHK-UHFFFAOYSA-N
-rxn:4:183772:227225,CC(C)CSc1ccc(-c2ccc(OC(F)(F)F)cc2OCC(=O)N2CCCC(F)(F)C2)cn1,ASMDTCJHNJJQAT-UHFFFAOYSA-N
-rxn:4:183839:222523,COC(=O)C1CCCCN1C(=O)COc1ccc(-c2ccc(S(=O)(=O)NC(C)(C)C)cc2C(F)(F)F)cc1,KNRPUQJRVGNVNW-UHFFFAOYSA-N
-rxn:4:183876:224377,CN1CCN(S(=O)(=O)c2ccc(-c3cc(Cl)ccc3OCC3CN(C(=O)OC(C)(C)C)C3)cc2)CC1,ULDDYDQGRJDHCC-UHFFFAOYSA-N
-rxn:4:183894:227554,COC(=O)c1c(F)cccc1-c1cccc(F)c1OCCCN1CCC(C(F)(F)F)CC1,YQBMISSWJKAZRW-UHFFFAOYSA-N
-rxn:4:183898:224569,COC1CCN(CCCOc2ccccc2-c2cc(F)cc(OCC3CCCCC3)c2)CC1,ICAULZSYQHOUPY-UHFFFAOYSA-N
-rxn:4:183916:224008,COc1ccc(CN(C2CC2)S(=O)(=O)c2cccc(-c3cc(C(=O)N4CCOCC4)cc([N+](=O)[O-])c3)c2)cc1,WUFIFAYZSNAZIJ-UHFFFAOYSA-N
-rxn:4:183944:223653,COc1cc2cc(-c3cccc(S(=O)(=O)CC4CN(C(=O)OC(C)(C)C)C4)c3)n(C(=O)OC(C)(C)C)c2cc1Cl,ZQAGBWZIFQTFQI-UHFFFAOYSA-N
-rxn:4:183985:223882,Cc1cccc2c1cc(-c1ccc(O[Si](C(C)C)(C(C)C)C(C)C)cc1C#N)n2C(=O)OC(C)(C)C,XSIMFHZGSDITQF-UHFFFAOYSA-N
-rxn:4:183993:224156,Cc1ccc(-c2cc3ccccc3n2C(=O)OC(C)(C)C)cc1CN(C(=O)OC(C)(C)C)C1CCC1,XHMYGOPJSJLOLL-UHFFFAOYSA-N
-rxn:4:184001:223527,COC(=O)C1(c2ccc(-c3ccc(F)cc3CN3CCN(C(=O)OC(C)(C)C)CC3)cc2Cl)CCN(C(=O)OC(C)(C)C)C1,XAMDVHKWRYXQAT-UHFFFAOYSA-N
-rxn:4:184012:226558,CCCOc1cc(S(=O)(=O)N(C)C2CCCCC2)ccc1-c1ccc(F)c(OCCC)c1F,ALEDQBBZSDVKSZ-UHFFFAOYSA-N
-rxn:4:184019:223123,Cc1cc(OCC2CN(C(=O)OC(C)(C)C)C2)cc(C)c1-c1ccc(NC(=O)C(C)C)cc1,QFIYAOLXUIQRHX-UHFFFAOYSA-N
-rxn:4:184027:222818,COC(=O)c1cc(-c2ccc(OCC3CCN(C(=O)OC(C)(C)C)CC3)c(F)c2)c(F)cc1NC(C)=O,ORJNCVLARZQWCW-UHFFFAOYSA-N
-rxn:4:184032:223077,CC(C)(C)OC(=O)N1CCCCC1COc1cc(F)cc(-c2ccc(S(=O)(=O)NC3CC3)cc2)c1,MRLATCMIQFKNMU-UHFFFAOYSA-N
-rxn:4:184032:223591,CC(C)(C)OC(=O)N1CCN(c2ccc(F)c(-c3cc(F)cc(OCC4CCCCN4C(=O)OC(C)(C)C)c3)c2)CC1,BNNWEJHAFMXRKX-UHFFFAOYSA-N
-rxn:4:184042:222834,CCC(CC)NC(=O)c1ccc(-c2ccc(Cl)c(C(=O)N3CCC(COCc4ccc(F)cc4)CC3)c2)cc1,FDKZFLHKJXBXGJ-UHFFFAOYSA-N
-rxn:4:184044:222693,COc1ccc(C(=O)N(Cc2cccc(-c3ccc(S(=O)(=O)NC4CCCCC4)cc3)c2)C2CCS(=O)(=O)C2)cc1,LUOLYLZBAKBCDI-UHFFFAOYSA-N
-rxn:4:184062:224847,Cc1cc(CN(C(=O)OC(C)(C)C)C2CCCC2)ccc1-c1cc(C(C)(C)C)ccc1C(C)(C)C,NMHCYBXIFGBMNE-UHFFFAOYSA-N
-rxn:4:184063:224847,Cc1cc(-c2cc(C(C)(C)C)ccc2C(C)(C)C)ccc1CN(C(=O)OC(C)(C)C)C1CCCC1,PFZPRROUYCICIQ-UHFFFAOYSA-N
-rxn:4:184065:224157,CC(C)(C)OC(=O)N(Cc1ccc(-c2cn(C(=O)OC(C)(C)C)c3ccccc23)cc1)C1CCCCC1,LGNMFLASLOZGJC-UHFFFAOYSA-N
-rxn:4:184065:226288,COc1ccc(-c2ccc(CN(C(=O)OC(C)(C)C)C3CCCCC3)cc2)cc1OC(C)C,JYPQHUDVMGCCMP-UHFFFAOYSA-N
-rxn:4:184096:228639,Cc1ccc(-c2ccc(CN(C(=O)OC(C)(C)C)C3CCC(C)(C)CC3)cc2)c(C)c1F,FEHRVLUYJLUIAS-UHFFFAOYSA-N
-rxn:4:184098:226768,CSc1ccc(-c2cccc(CN(C(=O)c3ccc(C(C)(C)C)cc3)C3CCS(=O)(=O)C3)c2)cc1C(F)(F)F,KYMFEILIWYXYSC-UHFFFAOYSA-N
-rxn:4:184099:225076,COC(=O)c1ccc(-c2ccc(C(C)N(C(=O)OC(C)(C)C)C3CCC(C)(C)CC3)cc2)c2cccnc12,DTJUVRJVQNQBOV-UHFFFAOYSA-N
-rxn:4:184099:226917,Cc1cc(-c2ccc(C(C)N(C(=O)OC(C)(C)C)C3CCC(C)(C)CC3)cc2)cc(C(C)(C)C)c1,DYYIKVFECPXZEY-UHFFFAOYSA-N
-rxn:4:184099:227894,CC(c1ccc(-c2cccc(/C=C/C#N)c2)cc1)N(C(=O)OC(C)(C)C)C1CCC(C)(C)CC1,QSRUQACFJACAPJ-CSKARUKUSA-N
-rxn:4:184099:228622,CCc1cc(F)ccc1-c1ccc(C(C)N(C(=O)OC(C)(C)C)C2CCC(C)(C)CC2)cc1,XBYJRSQHCIZGRE-UHFFFAOYSA-N
-rxn:4:184099:229010,CC(C)c1csc(-c2ccc(C(C)N(C(=O)OC(C)(C)C)C3CCC(C)(C)CC3)cc2)c1,QOYVCOXJKTXQLF-UHFFFAOYSA-N
-rxn:4:184099:229222,Cc1cc(-c2ccc(C(C)N(C(=O)OC(C)(C)C)C3CCC(C)(C)CC3)cc2)sc1C,OSTSNVQBSLAFMW-UHFFFAOYSA-N
-rxn:4:184100:228561,CSCc1cccc(-c2cc(C)cc(CN(C(=O)OC(C)(C)C)C3CCC(C)(C)CC3)c2)c1,PIRGHUBKLXPIII-UHFFFAOYSA-N
-rxn:4:184100:228987,Cc1cc(C)cc(-c2cc(C)cc(CN(C(=O)OC(C)(C)C)C3CCC(C)(C)CC3)c2)c1,CAPCIHKVDIZZOY-UHFFFAOYSA-N
-rxn:4:184135:223588,CCCCN(C)C(=O)c1cc2cc(-c3cnc(N4CCN(C(=O)OC(C)(C)C)CC4)c(C)c3)cc(OC)c2oc1=O,OIAWVXYAWBOMAI-UHFFFAOYSA-N
-rxn:4:184216:223803,CC(C)(C)OC(=O)N1CCC(COc2cc(-c3cccc(OCc4cccc(C(F)(F)F)c4)c3)c3ccccc3c2)CC1,XJAKXEBNQKBBRT-UHFFFAOYSA-N
-rxn:4:184222:226290,CC(C)OC(=O)c1cccc(-c2ccc(CN(C(=O)OC(C)(C)C)C3CCCCC3)c3ccccc23)c1,YSDBPZRELUKSJP-UHFFFAOYSA-N
-rxn:4:184354:222513,CCOC(=O)Cc1cc(C#N)cc(F)c1-c1cc(S(=O)(=O)NC2CCCCC2)ccc1OC,GSJULNAFUHNGTB-UHFFFAOYSA-N
-rxn:4:184389:224416,COC(=O)Cc1c(C#N)cc(C(F)F)cc1-c1cnc(C(F)(F)C(F)(F)C(F)(F)F)nc1,WOXLIMSCXXZQHD-UHFFFAOYSA-N
-rxn:4:184432:223640,CCOC(=O)c1ccc(C(F)F)c(-c2cc(F)cc3c2C(=O)C2C(C)(C)C2(OCC)C3=O)c1C#N,FKRCIDUHLFFHFV-UHFFFAOYSA-N
-rxn:4:184456:224403,COC(=O)Cc1cc(C#N)c(C(F)(F)F)c(-c2cnc(N3CCOCC3)c(C(F)(F)F)c2)c1,VKPAASGVQWJEPR-UHFFFAOYSA-N
-rxn:4:184472:223670,CCOC(=O)c1c(C(F)(F)F)ccc(C#N)c1-c1cccnc1N1CCN(C(=O)OC(C)(C)C)CC1,SJGGXJLRMFVOAI-UHFFFAOYSA-N
-rxn:4:184708:222545,CC(C)(C)OC(=O)COc1ccc(-c2ccc(C(C)(C)NC(=O)OC(C)(C)C)cc2)nc1,QOKVJWLJGOHOOL-UHFFFAOYSA-N
-rxn:4:184721:223492,CCOc1cc(C(=O)N(C)OC)cc(-c2ccc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c(C)c2)c1,XNQPRNFZBQEEEA-UHFFFAOYSA-N
-rxn:4:184884:224320,Cc1ccc(S(=O)(=O)N2CCCCC2)cc1-c1cc(OC(F)(F)F)ccc1/C=N/S(=O)C(C)(C)C,UQEPOKDAJHQHLY-LQKURTRISA-N
-rxn:4:184884:225288,CC(C)Oc1ccc(-c2cc(OC(F)(F)F)ccc2/C=N/S(=O)C(C)(C)C)c(C(F)(F)F)c1,VOMOHMLDQYEWGQ-XKJRVUDJSA-N
-rxn:4:184917:224648,COC(=O)c1cc(CN2CC(OC)C2)cc(-c2ccc(O[Si](C)(C)C(C)(C)C)cc2Cl)c1,FFOOAPGSTIKGKF-UHFFFAOYSA-N
-rxn:4:184962:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(C(=O)N4CC(S(=O)(=O)CC(C)C)C4)o3)c2)CC1,PJCAXKHDBJXTAK-UHFFFAOYSA-N
-rxn:4:184963:225286,COc1ccc(OCC(=O)N2CCOCC2)c(-c2cc(F)ncc2C(=O)OC(C)(C)C)c1,UKFWCILTJVPEMC-UHFFFAOYSA-N
-rxn:4:184980:223918,CN(C(=O)c1ccc(F)c(-c2cccc(C(=O)OCCN3CCCCC3)c2)c1)C1CCCCC1,VVJJDTKIPVQEHC-UHFFFAOYSA-N
-rxn:4:185004:224754,O=C(COc1ccc(C(F)(F)F)cc1-c1ccccc1S(=O)(=O)N1CCCCC1)N1CCCCC1,KVAGINDYKLXSFQ-UHFFFAOYSA-N
-rxn:4:185018:224302,CC(C)(C)[Si](C)(C)Oc1c(Cl)ccc(-c2ccccc2OCCCN2CCCCC2)c1F,PVQNETYXNMUHQK-UHFFFAOYSA-N
-rxn:4:185033:222710,COc1ccc(S(=O)(=O)NC(C)(C)C)cc1-c1ccccc1OCC1CCCN(CC(F)F)C1,ZZLMGLSKOYGLLN-UHFFFAOYSA-N
-rxn:4:185056:222885,O=C(NC1CCOC1)c1ccc(-c2cccc(F)c2OCCCN2CCC(F)(F)CC2)cc1,DQWDQSXPICQXQI-UHFFFAOYSA-N
-rxn:4:185067:227445,FC(F)(F)COc1c(CN2CCC(F)(F)CC2)cccc1-c1cnc(Cl)c(C2CCC2)c1,NQRWDLBEHQVORD-UHFFFAOYSA-N
-rxn:4:185086:222598,Cc1cc(-c2cc(C)c(S(=O)(=O)NC3CCCC3)c(C)c2)ccc1OCCCN1CCOCC1,WDWGXLWJXPPJMZ-UHFFFAOYSA-N
-rxn:4:185105:222829,CNS(=O)(=O)c1ccc(-c2ccccc2C(=O)N2CC(S(=O)(=O)CC(C)C)C2)c(C(F)(F)F)c1,JYTVETZPNWTJAJ-UHFFFAOYSA-N
-rxn:4:185144:222854,CCOC(=O)C1CCN(S(=O)(=O)c2ccc(-c3cc(C4CCCNC4)ccc3OC)cc2)CC1,LVTQGNBNVYNRSF-UHFFFAOYSA-N
-rxn:4:185144:223799,CCOC(=O)C1CCN(S(=O)(=O)c2ccc(-c3ccc(C(F)(F)F)c(OCc4ccccc4)c3)cc2)CC1,UNXKONXDUBEANX-UHFFFAOYSA-N
-rxn:4:185145:222612,CCOC(=O)C1CCCN(S(=O)(=O)c2ccc(-c3cc(S(=O)(=O)N4CCC(O)CC4)ccc3F)cc2)C1,MOMRPSKFQWMOTD-UHFFFAOYSA-N
-rxn:4:185145:222718,CCOC(=O)C1CCCN(S(=O)(=O)c2ccc(-c3cc(S(=O)(=O)N4CCNCC4)ccc3C)cc2)C1,JPRKOHMVPZMLTA-UHFFFAOYSA-N
-rxn:4:185149:222912,CC(C)CNS(=O)(=O)c1ccc(-c2cccc(S(=O)(=O)C3CN(C(=O)OC(C)(C)C)C3)c2)cc1,GUZCUYFKWLXUOW-UHFFFAOYSA-N
-rxn:4:185154:227037,COC(=O)c1ccc(-c2cc(C#N)ccc2C2CC2)cc1CN1CCCC(C(F)(F)F)C1,REPJTAYFJHGRMH-UHFFFAOYSA-N
-rxn:4:185164:227762,CC(C)(C)OC(=O)N1CC(c2ccc(-c3cccc(Cl)c3C(F)(F)F)c(C(F)(F)F)c2)C1,DVXTVUUZCCVFDY-UHFFFAOYSA-N
-rxn:4:185165:223274,CNC(=O)c1ccc(-c2ccc(C(F)(F)F)c(C3CN(C(=O)OC(C)(C)C)C3)c2)c(Cl)c1,VMDCPTRTDRECRV-UHFFFAOYSA-N
-rxn:4:185165:226275,Cc1cc(-c2ccc(C(F)(F)F)c(C3CN(C(=O)OC(C)(C)C)C3)c2)cnc1OCC(C)C,HEEXMOPAMWBFGF-UHFFFAOYSA-N
-rxn:4:185182:222777,COc1ccc(-c2ccc(CN3CCC(O)CC3)c(Cl)c2)c(CN(C)CC2CCCC2)c1,OAMZTHKMKXSKTB-UHFFFAOYSA-N
-rxn:4:185209:223770,CCOc1cccc(-c2cc3c(C#N)cccc3n2C(=O)OC(C)(C)C)c1CN1CCC(C(F)(F)F)CC1,DGMCSFMHJCKQIG-UHFFFAOYSA-N
-rxn:4:185210:226713,CCOc1cccc(-c2cc(OCCOC)ncc2F)c1CN1CCCC(C(F)(F)F)C1,QVLGEKTZKOQBGR-UHFFFAOYSA-N
-rxn:4:185229:222847,N#Cc1cc(-c2ccccc2S(=O)(=O)N2CCC(S(=O)(=O)Cc3ccco3)C2)cc(C2CCCNC2)c1,ISHHQKONFICMLZ-UHFFFAOYSA-N
-rxn:4:185248:227045,COc1cc(-c2cccc(SC(C)(C)C)c2)cc(OC)c1CN1CCCC(C(F)(F)F)C1,UZUFOZBDEDKEBF-UHFFFAOYSA-N
-rxn:4:185259:225833,CC(C)c1ccc(OCC(=O)N2CCCCC2)c(-c2ccnc(N3CCCCC3)c2F)c1,RLJYGJRUQJBDBL-UHFFFAOYSA-N
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-rxn:4:185264:224966,CC(C)(C)OC(=O)CN1CC(c2ccc(-c3ccc(OCC4CCOCC4)cc3)cc2)OCC1=O,BXPBXQZHFHSGRH-UHFFFAOYSA-N
-rxn:4:185290:224420,Cc1cc2c(cc1-c1cccc(CN(C(=O)c3ccc(F)cc3)C3CCS(=O)(=O)C3)c1)C(C)(C)CCC2(C)C,SQOALDWTDKWOOS-UHFFFAOYSA-N
-rxn:4:185291:225158,O=C(c1ccc(-c2ccc(C(=O)N(Cc3ccc(F)cc3)C3CCS(=O)(=O)C3)cc2)cc1)N1CCSCC1,WAZRXQZUQOCMJB-UHFFFAOYSA-N
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-rxn:4:185309:223096,CC(=O)Nc1ccc([N+](=O)[O-])c(-c2cccc(OC3CCN(C(=O)OC(C)(C)C)CC3)c2)c1,OGXKGAQPUAKMHM-UHFFFAOYSA-N
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-rxn:4:185353:226768,CSc1ccc(-c2ccc(CC(=O)N3CCC(S(=O)(=O)C(C)(C)C)C3)cc2)cc1C(F)(F)F,AHUKRSOIHSWMKY-UHFFFAOYSA-N
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-rxn:4:185371:223176,CC(C)(C)OC(=O)N1CCC(Cc2ccc(-c3cccc(CNS(C)(=O)=O)c3)cc2)CC1,CESWFYCWPCPJTG-UHFFFAOYSA-N
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-rxn:4:185378:224411,CN(C)S(=O)(=O)c1ccc(-c2cccc(S(=O)(=O)C3CCN(C(=O)OC(C)(C)C)CC3)c2)c(C(F)(F)F)c1,URDFTSYBPPOEFZ-UHFFFAOYSA-N
-rxn:4:185378:225324,CC(C)CCn1cc(-c2cccc(S(=O)(=O)C3CCN(C(=O)OC(C)(C)C)CC3)c2)c(C(F)(F)F)n1,LEEYDBNCBMDDIM-UHFFFAOYSA-N
-rxn:4:185382:223573,CC(C)(C)OC(=O)N1CCC(c2cc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)cc3)ccc2C(F)(F)F)CC1,CSBGHUOKXXENLI-UHFFFAOYSA-N
-rxn:4:185382:224404,CC(C)(C)OC(=O)N1CCC(c2cc(-c3ccc(S(=O)(=O)N4CCOCC4)c(F)c3)ccc2C(F)(F)F)CC1,ZRDBSHDCHTXXIP-UHFFFAOYSA-N
-rxn:4:185405:225568,COC(=O)C(C)(C)c1ccc(-c2cc(C3CC3)ccc2C2CCN(C(=O)OC(C)(C)C)C2)cc1,ZKVRLKNNLASJRX-UHFFFAOYSA-N
-rxn:4:185407:223475,COc1ccc(C2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1cccc(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)c1,CGZLOAYFBMAMOY-UHFFFAOYSA-N
-rxn:4:185407:223498,COc1ccc(C2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccc(C(=O)N2CCCN(C(=O)OC(C)(C)C)CC2)cc1,RCUBXAKGRGIIFP-UHFFFAOYSA-N
-rxn:4:185408:224847,CC(C)(C)OC(=O)N1CCC(c2cc(-c3cc(C(C)(C)C)ccc3C(C)(C)C)ccc2C2CC2)C1,AEVZXWRMSQNHHB-UHFFFAOYSA-N
-rxn:4:185408:225567,Cc1cc(-c2ccc(C3CC3)c(C3CCN(C(=O)OC(C)(C)C)C3)c2)ccc1C(=O)OC(C)C,WSIGMBMETXHPIV-UHFFFAOYSA-N
-rxn:4:185415:223964,O=C(CC1CCCCC1)N(c1ccc(-c2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)cc1)C1C=CS(=O)(=O)C1,LUXWILAXVQWUQI-UHFFFAOYSA-N
-rxn:4:185424:227926,CC(C)Sc1ccc(-c2cc(C3CC3)ccc2C2CN(C(=O)OC(C)(C)C)CCO2)cc1,FVRTZJZLEYPZQN-UHFFFAOYSA-N
-rxn:4:185433:225433,CC(C)(C)OC(=O)N1CCC(c2cc(-c3ccc(CSC4CCCC4)cc3)cc(C3CC3)c2)CC1,ISHHLODAZHFNOC-UHFFFAOYSA-N
-rxn:4:185435:224426,CC(C)(C)c1ccc(C(=O)N(c2ccc(-c3cc(C4CCCCC4)cc(C4CC4)c3)cc2)C2C=CS(=O)(=O)C2)cc1,WEIZVURQQNSEHF-UHFFFAOYSA-N
-rxn:4:185438:222674,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3cccc(C(=O)NC4CCCCC4)c3F)cc2)CC1,NVLXCJCPCAECIW-UHFFFAOYSA-N
-rxn:4:185440:223308,CCNCc1ccccc1-c1ccc(S(=O)(=O)N2CCC(O[Si](C)(C)C(C)(C)C)CC2)cc1F,OKYHVZNFCQSBFE-UHFFFAOYSA-N
-rxn:4:185440:223831,COc1ccc(-c2ccc(S(=O)(=O)N3CCC(O[Si](C)(C)C(C)(C)C)CC3)cc2F)cc1S(=O)(=O)N1CCC(C)CC1,VRULJWBDOPXXKL-UHFFFAOYSA-N
-rxn:4:185449:223569,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(F)c(-c3ccc(N(c4ccc(C(C)(C)C)cc4)c4ccc(C(C)(C)C)cc4)cc3)cnc21,RBWYUTGGJJCHJH-UHFFFAOYSA-N
-rxn:4:185453:224487,O=S(=O)(Oc1cc2c(-c3cccc(OCCN4CCCCC4)c3)cccc2n1CC(F)(F)F)C(F)(F)F,ZWAHAFQANFQUQA-UHFFFAOYSA-N
-rxn:4:185542:223836,COc1ncnc2c1cc(-c1ccc3c(c1)C(CN(C)C(=O)OC(C)(C)C)OCC3)n2C(=O)OC(C)(C)C,HRTIJNWQRPTYJW-UHFFFAOYSA-N
-rxn:4:185567:226498,CCN(CC)c1ncc(-c2ccccc2CCC(=O)N2C3CCC2CC(S(C)(=O)=O)C3)cc1Cl,JLXOIWDLJBFQNJ-UHFFFAOYSA-N
-rxn:4:185630:224825,CON(C)C(=O)c1cc(-c2ccccc2-c2ccc(C[N+](C)(C)CC3=CC[C@H]4C[C@@H]3C4(C)C)cc2)cc([N+](=O)[O-])c1,MFXFHISYNOOQQL-IUDBTDONSA-N
-rxn:4:185648:225896,COCCOc1cc(-c2ccc(S(=O)(=O)N(C(=O)C3CCCCC3)c3ccc4oc5c(c4c3)CCCC5)cc2)c(F)cc1F,SOQHWFCMSDBNLH-UHFFFAOYSA-N
-rxn:4:185859:223839,CCOC(=O)c1c(C#N)ccc(-c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2OC)c1F,VBYRYYKMIWSABZ-UHFFFAOYSA-N
-rxn:4:186234:223777,CC(C)(C)OC(=O)N1CCc2c(ccc(-c3cc(OCC4CC4)c([N+](=O)[O-])cc3Cl)c2F)C1,QCIDGOCIUIYJGY-UHFFFAOYSA-N
-rxn:4:186243:223693,COC(=O)N(C)Cc1ccc(-c2cc(O[Si](C)(C)C(C)(C)C)cc(C(F)(F)F)c2F)cc1,HXXSZUMNEPZPFY-UHFFFAOYSA-N
-rxn:4:186481:224364,CCN(C)C(=O)c1ccc(-c2cc(OCC(C)C)cc(OC(F)(F)F)c2)c(C(F)(F)F)c1,CZKNUJCOOXMWMP-UHFFFAOYSA-N
-rxn:4:186541:225080,COC(=O)C1CCc2cc(-c3cccc(C(F)(F)F)c3C(=O)ON3C(=O)CCC3=O)ccc2O1,NAKICIAHOSSSOI-UHFFFAOYSA-N
-rxn:4:186542:225347,CC(C)Oc1ncc(-c2ccc(C(F)(F)F)c(C(=O)ON3C(=O)CCC3=O)c2)cc1C(F)(F)F,SZNYRXLGXSHSOJ-UHFFFAOYSA-N
-rxn:4:186682:222545,CC(=O)c1ccc(-c2ccc(C(C)(C)NC(=O)OC(C)(C)C)cc2)n1C(=O)OC(C)(C)C,AWWRZUBKUXYAJM-UHFFFAOYSA-N
-rxn:4:186685:222604,CCOc1cc(S(=O)(=O)N(C)C)ccc1-c1ccc(OC)c(S(=O)(=O)NC2CCCC2)c1,FFBLFPHLILFBJH-UHFFFAOYSA-N
-rxn:4:186705:224325,CN(Cc1ccc(-c2ccc(C3=CCN(S(C)(=O)=O)CC3)cc2)c(C(F)(F)F)c1)C1CC1,YMQNLKHAVFPLOO-UHFFFAOYSA-N
-rxn:4:186720:222539,CC(C)(C)OC(=O)NC1Cc2ccc(-c3cc(OC(F)F)cc(C(=O)N4CCCC4)c3)cc2C1,SJFYXHNVFHKRSF-UHFFFAOYSA-N
-rxn:4:186777:224194,CCN1CCN(Cc2ccc(-c3cc(OCC4CCC4)c([N+](=O)[O-])cc3C)cc2Cl)CC1,OGGUSZWHKHPFBY-UHFFFAOYSA-N
-rxn:4:186833:223640,CCOC12C(=O)c3cc(F)cc(-c4cc(CC)cc(N(CC)CC)c4)c3C(=O)C1C2(C)C,AMPWJNCRTYOVTC-UHFFFAOYSA-N
-rxn:4:186843:223981,CCOC(=O)c1cnc(C(C)(C)C)cc1-c1ccc(S(=O)(=O)N2CCN(CC)CC2)cc1,APQODYBTCJSBMC-UHFFFAOYSA-N
-rxn:4:186873:224160,CC(C)(C)OC(=O)N1CCc2cc(-c3ccc(OCCN4CCOCC4)c(F)c3)ccc21,VBLBRDUUKMJTJE-UHFFFAOYSA-N
-rxn:4:186939:224408,Cc1ccc(OCC(=O)N2CCCC2)c(-c2cc(C(F)(F)F)nn2C(=O)OC(C)(C)C)c1,VTPSSISMKWOQFC-UHFFFAOYSA-N
-rxn:4:186944:222709,CC(C)(C)NC(=O)c1cc(-c2cccc(OCCN3CCCCC3=O)c2)cc([N+](=O)[O-])c1,QFWKQNVJIHRYIR-UHFFFAOYSA-N
-rxn:4:186991:224326,Cc1cc(-c2cccc(S(=O)(=O)CC(=O)N3CCOCC3)c2)ccc1S(=O)(=O)N1CCCCC1,MRSCMUPWMPLWKS-UHFFFAOYSA-N
-rxn:4:186996:224349,Cc1cc(-c2ccc(N3CCCCC3)c(C(F)(F)F)c2)ccc1OCC(=O)N1CCC(F)(F)C1,BOFVFGQSCSBUSF-UHFFFAOYSA-N
-rxn:4:187004:225376,O=C(COc1ccc(-c2cc(F)c(F)c(OCC(F)(F)F)c2)cc1)N1CCC(F)(F)CC1,DBNKQRIDQGCRIH-UHFFFAOYSA-N
-rxn:4:187008:223815,COC(=O)c1ccc(-c2ccc(Cl)c(CN3CCC4(CC3)OCCO4)c2)c(CN2CCC(F)(F)C2)c1,LQWFEPQIUIMIRF-UHFFFAOYSA-N
-rxn:4:187023:226252,CCCCOc1cc(Cl)ccc1-c1cc(OC(F)F)cc(C(=O)N2CCC(F)(F)CC2)c1,JPCSDDYSLJSCDW-UHFFFAOYSA-N
-rxn:4:187054:223481,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3c(OCC4CCCCC4)cccc3[N+](=O)[O-])c(F)c2)CC1,DVAHMLFYAKDBJI-UHFFFAOYSA-N
-rxn:4:187112:223813,COc1cc(-c2ccc(CN3CCC4(CC3)OCCO4)c(F)c2)cc(OC)c1CN1CCCC1,DGRNSBKMVMXHPJ-UHFFFAOYSA-N
-rxn:4:187146:224257,CC1CCCCN1C(=O)c1ccc(Cl)c(-c2ccc(F)cc2CC(=O)N2CCCC(C(F)(F)F)C2)c1,HURRLNOEYZIDPH-UHFFFAOYSA-N
-rxn:4:187187:224587,COC(=O)c1cc(-c2ccc(CN3CCC(C)CC3)c(F)c2)ccc1CN1CCCCC1,WDRPJCNLNJXERB-UHFFFAOYSA-N
-rxn:4:187204:222918,CC(C)(C)NS(=O)(=O)c1cccc(-c2ccc(C3CN(C(=O)OC(C)(C)C)C3)c(Cl)c2)c1,SWGWAJGQVFMZNT-UHFFFAOYSA-N
-rxn:4:187250:222782,COC(=O)c1ccc(-c2cnc(NC(=O)OC(C)(C)C)c(C)c2)c(CN2CCCC(F)(F)C2)c1,IXSDZCMJFCGSHB-UHFFFAOYSA-N
-rxn:4:187253:224759,O=C(c1cc(F)cc(-c2cc(CCN3CCC(C(F)(F)F)CC3)ccc2F)c1)N1CCOCC1,QIXUDOCZGTXSEY-UHFFFAOYSA-N
-rxn:4:187302:224378,CC1CCN(CCOc2ccc(-c3cnc(N4CCCCC4)c(C(F)(F)F)c3)cc2F)CC1,KEGGRXVSOZFKRD-UHFFFAOYSA-N
-rxn:4:187303:224818,COC1CCN(CCc2cc(F)ccc2-c2ccc(S(=O)(=O)N3CCSCC3)cc2)CC1,YINBETVIHJBWCI-UHFFFAOYSA-N
-rxn:4:187305:224818,COC1CCN(CCc2ccc(F)c(-c3ccc(S(=O)(=O)N4CCSCC4)cc3)c2)CC1,HPDOBZRNDIDKIY-UHFFFAOYSA-N
-rxn:4:187314:225213,COc1cc(C(=O)N2CCCCC2)cc(OC)c1-c1ccc(N2CCN(C)CC2)cc1Cl,NMHGAGKWCXJVOQ-UHFFFAOYSA-N
-rxn:4:187327:226589,CC(C)c1cnc(C(F)F)cc1-c1cccc([C@H]2COS(=O)(=O)N2C(=O)OC(C)(C)C)c1,KWFFDQUXVUQLEI-LJQANCHMSA-N
-rxn:4:187419:224893,Cc1cc(-c2cc(C(C)(C)C)nc(C(C)(C)C)c2)ccc1C1CN(C(=O)OC(C)(C)C)C1,MASGZLZMXHLYLZ-UHFFFAOYSA-N
-rxn:4:187421:224326,Cc1ccc(C2CN(C(=O)OC(C)(C)C)C2)cc1-c1ccc(S(=O)(=O)N2CCCCC2)c(C)c1,OZOBPQAJCKOWLV-UHFFFAOYSA-N
-rxn:4:187486:223662,COc1ccc(-c2ccc(C(=O)OCc3ccccc3)cc2[N+](=O)[O-])cc1S(=O)(=O)N(C)C1CCCCC1,MKMZCHKEEXKNHJ-UHFFFAOYSA-N
-rxn:4:187512:223995,CN1CCN(c2cc(-c3ccc(C(=O)c4ccc(CN5CCSCC5)cc4)cc3)cc(C(F)(F)F)c2)CC1,BLTUFXDKOGLMFB-UHFFFAOYSA-N
-rxn:4:187523:224400,O=C(c1ccc(CN2CCOCC2)cc1)c1ccc(-c2ccc(N3CCOCC3)c(C(F)(F)F)c2)cc1F,DEHKVFBNBFKZSL-UHFFFAOYSA-N
-rxn:4:187542:224089,COc1cc(-c2ccc(OCCN3CCC(C)CC3)cc2)cc(OC)c1CN1CCC(C)CC1,YNCGCXRDOLFYAM-UHFFFAOYSA-N
-rxn:4:187550:223993,COc1cc(S(=O)(=O)N2CCCCCC2)c(OC)cc1-c1ccc(S(=O)(=O)N2CCN(C)CC2)c(C)c1,COFNXKLNERPVIU-UHFFFAOYSA-N
-rxn:4:187561:222922,CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(Cl)c(C(=O)N2CCC(S(=O)(=O)C(C)(C)C)C2)c1,ZWZUUMCCQWAZEC-UHFFFAOYSA-N
-rxn:4:187561:224842,CC1(C)CCC(C)(C)c2cc(-c3ccc(Cl)c(C(=O)N4CCC(S(=O)(=O)C(C)(C)C)C4)c3)ccc21,RVSAYBBPIHOYCC-UHFFFAOYSA-N
-rxn:4:187581:223579,CC1CN(C(=O)OC(C)(C)C)CCC1c1cc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3C)cc2)co1,PFOHAICCEGTGJA-UHFFFAOYSA-N
-rxn:4:187587:222517,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3ccc(F)c(C(=O)Nc4ccc(F)c(Cl)c4)c3)cc2Cl)CC1,CZSMZJHQIXEWKS-UHFFFAOYSA-N
-rxn:4:187628:224291,CCOc1cc(S(=O)(=O)N2CC(C)CC(C)C2)ccc1-c1ccc(OCCN2CCOCC2)c(F)c1,SFSVSTSFZRIJCH-UHFFFAOYSA-N
-rxn:4:187641:223540,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1ccc(S(=O)(=O)N2CCC(S(=O)(=O)c3ccccc3)CC2)cc1,BCUOPICJXUBJMJ-UHFFFAOYSA-N
-rxn:4:187663:225208,Cc1cc(-c2cnc(N3CCCC(C)C3)nc2C)ccc1C1CCCN(C(=O)OC(C)(C)C)C1,WQGJXFBSLGMYAV-UHFFFAOYSA-N
-rxn:4:187664:224842,Cc1cc(-c2ccc3c(c2)C(C)(C)CCC3(C)C)ccc1C1CCN(C(=O)OC(C)(C)C)CC1,ZPJYVUYAUVLKKB-UHFFFAOYSA-N
-rxn:4:187665:223187,CONS(=O)(=O)c1cccc(-c2cccc(C3CCN(C(=O)OC(C)(C)C)CC3C)c2)c1,PGCGHBAYXVGZKK-UHFFFAOYSA-N
-rxn:4:187693:224798,CC(C)Oc1ccc(OC(F)(F)F)cc1-c1ccc(C(=O)c2ccccc2CN2CCC3(CC2)OCCO3)c(F)c1,LUAWMZWXHQQNMT-UHFFFAOYSA-N
-rxn:4:187934:222774,COc1ccc(CN2Cc3cc(-c4ccc(F)c(CN5CCC(O)CC5)c4)ccc3OCC2=O)c(OC)c1,AVFNSNVHFSYBDN-UHFFFAOYSA-N
-rxn:4:187941:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2cccc3cc([Si](C)(C)C)n(C(=O)OC(C)(C)C)c23)cc1,LXYBOOKDSIWHEV-UHFFFAOYSA-N
-rxn:4:187956:226497,CCN(CC)c1cc(-c2ccc(C=C3Oc4cc(OC(=O)N5CCOCC5)ccc4C3=O)cc2)cnc1Cl,SEUCREIGSKYMSU-UHFFFAOYSA-N
-rxn:4:187968:224129,CC(C)[Si](C(C)C)(C(C)C)n1ccc2cc(-c3cccc(C(=O)N(C)C4CCCCC4)c3)ccc21,KNIAZDBAWNHPLP-UHFFFAOYSA-N
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-rxn:4:204013:225008,COC1CCN(c2ccc(-c3ccccc3S(=O)(=O)N3CCC(N(C)C)CC3)cc2)CC1,LBCMTLUCJGGPAE-UHFFFAOYSA-N
-rxn:4:204018:225220,CC1CCCCN1c1ncc(-c2ccc(CN3CCN(S(C)(=O)=O)C(C)C3)cc2)cc1Cl,NWQPUFMQFRJYBD-UHFFFAOYSA-N
-rxn:4:204030:223568,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(Cl)c(-c3cccc(N4CCN(S(=O)(=O)C(C)C)CC4)c3)cnc21,RHSMRZVVHJVWSW-UHFFFAOYSA-N
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-rxn:4:204109:228812,CSc1cccc(F)c1-c1ccccc1S(=O)(=O)N1CCC(N2C(=O)COCC2=O)CC1,QZFNWMFHZPMFJB-UHFFFAOYSA-N
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-rxn:4:204146:225264,COC(=O)c1ccc(-c2ccc(CN3CCCCC3)c(N3CCCCC3)c2)cc1C(=O)OC,HEIRLGVFFJIRGX-UHFFFAOYSA-N
-rxn:4:204170:224163,Cc1c(-c2ccc(CN3CCCCC3C)c(N3CCCCC3)c2)ccc2c1cnn2C1CCCCO1,NEQKNZOALANDFZ-UHFFFAOYSA-N
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-rxn:4:204700:222584,O=C(c1ccc(-c2ccc(OCCCN3CCNCC3)c(F)c2)o1)N1CC(N2C(=O)C3CC=CCC3C2=O)C1,YTZXZABHZLHUOI-UHFFFAOYSA-N
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-rxn:4:204867:224501,CC1CCN(C(=O)C2=CN(c3cccc(-c4ccc(OCC5CCCCN5C)cc4)c3)c3cc(Cl)ccc3S2(=O)=O)CC1,KVWHFKFZEULIIN-UHFFFAOYSA-N
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-rxn:4:204915:224769,CCC1Oc2c(OC)cc(-c3ccc(N4CCCC4)cc3C(F)(F)F)cc2C2CC(c3ccc(Cl)cc3)=NN12,GNELNBBFFIKGPC-UHFFFAOYSA-N
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-rxn:4:206694:222522,COc1ccc(-c2cccc(C3CCCN3S(C)(=O)=O)n2)cc1S(=O)(=O)N1CCC(O)CC1,QUTHYEGYCUXWBN-UHFFFAOYSA-N
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-rxn:4:206764:224056,CCC[C@H]1CC[C@H](c2ccc(-c3cnc(N4CCCC(C(F)(F)F)C4)c(F)c3)c(F)c2)CC1,CBNQYXKHKUEMPO-MKAMJTKASA-N
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-rxn:4:206957:222604,COc1ccc(-c2cncc(S(=O)(=O)N3CCC(C)CC3)c2)cc1S(=O)(=O)NC1CCCC1,LHFPIHGVRQGWFA-UHFFFAOYSA-N
-rxn:4:206961:222622,CCC(C)c1cc(-c2cncc(S(=O)(=O)N3CCCC(C)C3)c2)cc(C2CCCNC2)n1,IGZVXBHYTBCVEK-UHFFFAOYSA-N
-rxn:4:206964:224009,COc1ccc(-c2ccc(C3CCN(S(C)(=O)=O)CC3)nc2)cc1S(=O)(=O)N1CCOCC1,PQEMUZBAOHAQNJ-UHFFFAOYSA-N
-rxn:4:207048:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cncc(CC4CCCN(C)CC4)c3)c(F)c2)CC1,DAOWPEWECKYVMB-DEURROCVSA-N
-rxn:4:207050:223712,CCN1CCN(c2cc(C)cc(-c3ccc(OC)c(C45CC6CC(CC(C6)C4)C5)c3)c2)CC1,FNZGGHMNMQKDFG-UHFFFAOYSA-N
-rxn:4:207060:224398,Cc1cc(F)c(-c2ccc(S(=O)(=O)N3CCCN(C)CC3)cc2)cc1S(=O)(=O)N1CCCC1,JOIMQRNRFMYLJR-UHFFFAOYSA-N
-rxn:4:207081:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cncc(C(=O)N4CC5(COC(C)(C)OC5)C4)c3)ccn2)CC1,YSWJSIRFSIPOFI-UHFFFAOYSA-N
-rxn:4:207425:223492,Cc1cc(-c2ccccc2-c2nc3ccc([N+](=O)[O-])cc3o2)ccc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,MUYDFTCUJYLGOA-UHFFFAOYSA-N
-rxn:4:207447:223994,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cncc(C(=O)N2CC3CC2CS3)c1,VYOIVZCVFUCJOP-UHFFFAOYSA-N
-rxn:4:207736:222693,CN1C2CCC1CC(Oc1ccc(-c3ccc(S(=O)(=O)NC4CCCCC4)cc3)cn1)C2,HXXDSAVJSUPMDS-UHFFFAOYSA-N
-rxn:4:207788:224612,O=C1[C@@H]2CSC(c3ccc(-c4ccc(OCCN5CCOCC5)cc4)cc3)N2C(=S)N1c1ccc(Cl)cc1,UTAYDMAARVTMJX-QODXOHEASA-N
-rxn:4:207831:224592,CC1(C)OC(=O)C(=Cc2c(-c3ccc(-c4cc(C5(C#N)CCCCC5)ccc4F)cc3)nc3sccn23)C(=O)O1,OZTQEXDFPVKSSB-UHFFFAOYSA-N
-rxn:4:207854:225438,CC(c1ccc(-c2ccc3c(c2)CCN3C2CCN(C3CCC3)CC2)cc1)N1CCCC1,IAHHBOBJPBSJDT-UHFFFAOYSA-N
-rxn:4:207856:225684,Cc1nc(C2CCOCC2)ccc1-c1ccc2c(c1)CCCC2N1CCN(C(C)C)CC1,VEGWIFILUCXNQL-UHFFFAOYSA-N
-rxn:4:207958:222732,CCC1CCC2(CC1)Oc1ccc(-c3ccc(C(=O)NC4CCCCC4)cc3)cc1C1CC(c3ccccc3)=NN12,BJOCSQAHRLTAHG-UHFFFAOYSA-N
-rxn:4:207959:227656,Cc1ccc(C2=NN3C(C2)c2cc(-c4cc(N5CCOCC5)cs4)ccc2OC3C2CCCCC2)cc1,OLGBAODWVXZHHB-UHFFFAOYSA-N
-rxn:4:209239:223536,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cncc(C4=NCCC4)c3)cc(F)c2F)CC1,YNSSUHODTGCMTC-UHFFFAOYSA-N
-rxn:4:209526:223596,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)ccc2-c2ccc(C3COCCC3=O)nn2)CC1,OQVXIANOLFNIQO-UHFFFAOYSA-N
-rxn:4:209627:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3ccc(N4CCSCC4)nc3)c2Cl)CC1,KSMWIQXPNYTXIM-UHFFFAOYSA-N
-rxn:4:209767:223645,CCOC(=O)C1CCCN(C(=O)c2cccc(-c3cccc(N4CCCC(F)(F)C4)n3)c2)C1,FIOYRXVFXTYTMZ-UHFFFAOYSA-N
-rxn:4:209872:223839,COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1ccc(N2CCN(C)CC2)c(F)c1,HJLSOCRZGWAVFV-UHFFFAOYSA-N
-rxn:4:210681:223593,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc(C4=CSC5=NCCN45)cc3)cc2Cl)CC1,RPYXAFSVIBEEHI-UHFFFAOYSA-N
-rxn:4:211060:224599,CN1CCN(C2CCCc3cc(-c4cc(C(=O)C5CCCCC5)ccc4F)ccc32)CC1,QPNNPSPCRWTCJF-UHFFFAOYSA-N
-rxn:4:211101:226123,COCc1ccc(-c2ccc3c(c2)C2CC(c4ccc(C)cc4)=NN2C2(CCC(C)CC2)O3)cc1C1CC1,XNXJQHTWCDEPNX-UHFFFAOYSA-N
-rxn:4:211101:226126,COCc1cc(-c2ccc3c(c2)C2CC(c4ccc(C)cc4)=NN2C2(CCC(C)CC2)O3)ccc1C1CC1,QKROGNAABWKRRY-UHFFFAOYSA-N
-rxn:4:212542:223929,CCOCC(=O)N1CCCC(Oc2ncc(-c3cnc4c(c3)CCN(C(=O)OC(C)(C)C)C4)cn2)C1,XFHAEZCDYHJVIH-UHFFFAOYSA-N
-rxn:4:212549:223093,CCOC(=O)N1CCN(C(C#N)c2cccc(-c3cncc(NS(=O)(=O)C(C)C)c3)c2)CC1,NHLKBSRPTGWAKP-UHFFFAOYSA-N
-rxn:4:212577:222651,Cc1cccc(OCC(=O)N2CC(Cn3cc(-c4cc(C(=O)NC5CCCCC5)ccc4F)cn3)C2)c1,NUXMRJBZQIHYQC-UHFFFAOYSA-N
-rxn:4:212603:223534,Cc1c(C(=O)N2CCN=C2SCc2ccc(-c3cc(OC4CCN(C(=O)OC(C)(C)C)CC4)ncc3F)cc2)cccc1[N+](=O)[O-],FHSZQZIWCRDOJV-UHFFFAOYSA-N
-rxn:4:212606:224818,CC(C)CC(=O)N1CCCC(COc2ncc(-c3ccc(S(=O)(=O)N4CCSCC4)cc3)cn2)C1,BECFXFRIGJOOHW-UHFFFAOYSA-N
-rxn:4:212622:222729,CCCc1cc(-c2cnc(OCC3CCCN(C(=O)Cc4ccc(F)cc4)C3)nc2)cc(C2CCCNC2)n1,NMXZTFGDECKTAE-UHFFFAOYSA-N
-rxn:4:212639:223589,Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1cncc(CC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1,AYVHYHRHWZKXIY-UHFFFAOYSA-N
-rxn:4:212639:225613,CC(C)(C)OC(=O)N1CCN(C(=O)Cc2cncc(-c3ccnc(OC4CCCCC4)c3)c2)CC1,GDMVIADZMFQRHX-UHFFFAOYSA-N
-rxn:4:212663:225089,CCCCCOc1ccc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2C(=O)OC)c(F)c1F,QGCVKVJSFGPSNM-UHFFFAOYSA-N
-rxn:4:212667:224634,COc1ccc(S(=O)(=O)N2CCCC(COc3ncc(-c4ccc(OC)c(CN5CCOCC5)c4)cn3)C2)cc1,DGULKVTYYLKQPV-UHFFFAOYSA-N
-rxn:4:212691:226273,CCN(C)C(=O)c1ccc(-c2ccc(C(=O)N(C)C3CCN(C(=O)OC(C)(C)C)CC3)cn2)cc1,WIXVFCUSPTYQBF-UHFFFAOYSA-N
-rxn:4:212719:225197,CCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(-c3cc(F)c(OC4CCCC4)c(Cl)c3)cc2)SC1=S,GBCMADCAWYWVCW-UHFFFAOYSA-N
-rxn:4:212720:224372,CN(C(=O)c1ccc(-c2cc(C(=O)N3CCCC3)cc([N+](=O)[O-])c2)nc1)C1CCCN(C(=O)OC(C)(C)C)CC1,WYANXNZSADOYNO-UHFFFAOYSA-N
-rxn:4:212723:222389,CCOc1ccc(-c2noc(C3CCN(S(=O)(=O)c4ccc(-c5cc(C6CCNCC6)nc(C6CCNCC6)c5)cc4)CC3)n2)cc1,QZSILHSDELEJRP-UHFFFAOYSA-N
-rxn:4:212729:226662,COc1ccc(-c2noc(C3CCCN(S(=O)(=O)c4ccc(-c5ccc(N6CCN(C)CC6)s5)cc4)C3)n2)cc1OC,DBZHPNYSYQBDBD-UHFFFAOYSA-N
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-rxn:4:212747:226552,CCCOc1c(F)cc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3C)c(N3CCOCC3)c2)cc1Cl,MQFDHAKYMCGAQZ-UHFFFAOYSA-N
-rxn:4:212769:223285,CCOC(=O)c1nc2n(c1-c1ccccc1NS(C)(=O)=O)CCN(C(=O)OC(C)(C)C)C2,PZYOVTVYUJHLOI-UHFFFAOYSA-N
-rxn:4:212769:224604,CCOC(=O)c1nc2n(c1-c1cc3nc(C)n(C(C)(C)C)c3cc1F)CCN(C(=O)OC(C)(C)C)C2,AEARZKGHFLSUSX-UHFFFAOYSA-N
-rxn:4:212769:225310,CCOC(=O)c1nc2n(c1-c1cc(C(F)(F)F)c(Cl)cc1C1CC1)CCN(C(=O)OC(C)(C)C)C2,SICKIIOFVFAVPW-UHFFFAOYSA-N
-rxn:4:212770:225557,CCOC(=O)c1nn2c(c1-c1ccc(C3(C(=O)OC)CC3)cc1)CN(C(=O)OC(C)(C)C)CC2,QKDDQZJNOIBATK-UHFFFAOYSA-N
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-rxn:4:212805:223492,CCN(CC)S(=O)(=O)c1ccc(C(=O)N=c2sc3cc(-c4ccc(S(=O)(=O)N5CCN(C(=O)OC(C)(C)C)CC5)c(C)c4)ccc3n2C)cc1,OFEMMUITCRMNEH-UHFFFAOYSA-N
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-rxn:4:213202:222741,Cc1ccc(OCC2CCN(S(=O)(=O)c3ccccc3-c3cc(C4CC4)nc(C4CCCNC4)c3)CC2)nn1,SDBNCOCWMIPRRC-UHFFFAOYSA-N
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-rxn:4:213281:226360,Cn1nccc1-c1cccc(-c2cccnc2OC2CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)CC2)c1,AYGVKDJPZZJDBM-UHFFFAOYSA-N
-rxn:4:213281:228845,Cc1cc(-c2cccnc2OC2CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)CC2)c(F)cc1Cl,KMICSWSSKYBBNO-UHFFFAOYSA-N
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-rxn:4:213320:226096,COC(=O)c1nc(-c2cccc(OCCC(C)C)c2)n2c1CN(C(=O)OC(C)(C)C)CC2,NQISGDUADYXYPC-UHFFFAOYSA-N
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-rxn:4:213392:224420,Cc1cc2c(cc1-c1cnc(OCC3CCCN(Cc4ccc5c(c4)OCCO5)C3)nc1)C(C)(C)CCC2(C)C,RCNGTXHCLZYQRM-UHFFFAOYSA-N
-rxn:4:213412:227065,CC(C)CS(=O)(=O)C1CCN(C(=O)c2c3ccc(-c4cccc(C(=O)C(C)C)c4)cc3nn2C)CC1,IGPSIKWNWBXJFQ-UHFFFAOYSA-N
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-rxn:4:213653:224312,CN1CCN(C(=O)c2cc(-c3cncc(C(=O)N4CC(CN5C(=O)COC5=O)C4)c3)ccc2F)CC1,MVMYRUSXRMUKEI-UHFFFAOYSA-N
-rxn:4:213661:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnc(N4CCC(C(=O)OCC)CC4)nc3)c(F)c2)CC1,CUXWKHYRIZSRKT-HZCBDIJESA-N
-rxn:4:213663:223646,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3cnc(C4CN(C(=O)OC(C)(C)C)C4)nc3)cc2)C1,XSINWSKHHIJHLD-UHFFFAOYSA-N
-rxn:4:213664:222771,CCC(=O)N1CCC(Oc2ncc(-c3ccc(F)c(C(=O)NC4CCCC4)c3)cn2)CC1,WBLNXSRIDWEUAO-UHFFFAOYSA-N
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-rxn:4:213676:223712,COc1ccc(-c2ccccc2CC(=O)N2CCC(c3ncon3)C2)cc1C12CC3CC(CC(C3)C1)C2,LAARKCYQGBQATP-UHFFFAOYSA-N
-rxn:4:213687:224325,COCCN1CCN(c2ccc(-c3ccc(C4=CCN(S(C)(=O)=O)CC4)cc3)cn2)CC1,KSHMEYAOEOOGQS-UHFFFAOYSA-N
-rxn:4:213692:225215,CC1CCN(c2nccc(-c3cnn(C(C)C(=O)N4CCC(C(F)(F)F)CC4)c3)c2Cl)CC1,BKVBIGQZVDGJHU-UHFFFAOYSA-N
-rxn:4:213692:226842,CC(C(=O)N1CCC(C(F)(F)F)CC1)n1cc(-c2cncc(C(=O)C(F)(F)F)c2)cn1,KGHRKRVJIHOAAD-UHFFFAOYSA-N
-rxn:4:213713:223977,CC(C)(C)OC(=O)c1ccc(C(F)(F)F)cc1-c1cnc([C@@H]2CCCN2C(=O)OC(C)(C)C)[nH]1,XJHVHERRDAXJRW-SFHVURJKSA-N
-rxn:4:213735:223911,CCOC(=O)C1(c2ccc(-c3ccccc3C(=O)N3CC(S(=O)(=O)c4nccn4C)C3)cc2)CCOCC1,ZJZSDSDKSJIRGN-UHFFFAOYSA-N
-rxn:4:213766:223549,CC(C)c1cccc(C(C)C)c1OCc1ccc(-c2coc(N3CCN(C(=O)OC(C)(C)C)CC3)n2)cc1,GFMAAUYNDAJUTI-UHFFFAOYSA-N
-rxn:4:213822:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(Cl)c(C(=O)N4CCC(Oc5ccnc(C)n5)C4)c3)c2)CC1,JGCOSOQHKCWIPU-UHFFFAOYSA-N
-rxn:4:213883:224653,Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)sc1-c1ccc(Cl)cc1OCC1CCCCO1,JSNVILRFAJLSFF-UHFFFAOYSA-N
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-rxn:4:213896:224753,Cc1ccc(S(=O)(=O)N2CCCC2)cc1-c1cnc(C2CCN(C(=O)OC(C)(C)C)CC2)nc1,QZJDVKJOAYVUAA-UHFFFAOYSA-N
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-rxn:4:213937:224649,COc1cc(N2CCN(S(=O)(=O)c3ccccc3-c3cc(F)ccc3OCC3CCCCO3)CC2=O)ccn1,HOELVEPMFUFECY-UHFFFAOYSA-N
-rxn:4:213942:222813,Cc1nn(C2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1cnc(NC(=O)OC(C)(C)C)c(Cl)c1,CRHMWAFDZUVQDQ-UHFFFAOYSA-N
-rxn:4:213942:223181,CCNS(=O)(=O)c1cccc(-c2cn(C3CCN(C(=O)OC(C)(C)C)CC3)nc2C)c1,TZJNPWZRFKHASQ-UHFFFAOYSA-N
-rxn:4:213945:223183,CNS(=O)(=O)c1ccc(-c2cn(C3CCN(C(=O)OC(C)(C)C)CC3C)cn2)c(C)c1,WGHBHQIJFFOLPJ-UHFFFAOYSA-N
-rxn:4:213955:222574,O=C(NCc1ccccc1)c1ccc(Cl)c(-c2cnc(OC3CCN(C(=O)C4CC=CCC4)CC3)nc2)c1,HWFKQXIZBCBQDS-UHFFFAOYSA-N
-rxn:4:213972:229043,Cc1ccc(Cl)cc1-c1cnc(N2CCOC(C(=O)N3CCOCC3)C2)c(C(F)(F)F)c1,LBMCTWWMZDXTMX-UHFFFAOYSA-N
-rxn:4:213973:225313,CN1CCN(c2ccc(-c3cc(C(F)(F)F)cnc3N3CCOC(C(=O)N4CCSCC4)C3)c(F)n2)CC1,MNPLLGIJERQTRM-UHFFFAOYSA-N
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-rxn:4:213974:223133,CC(C)(C)OC(=O)N1CCCN(c2cccc(-c3ccccc3N3CCNCC3)n2)CC1,LHMRXJSDGYPBSY-UHFFFAOYSA-N
-rxn:4:213975:223132,CC(C)(C)OC(=O)N1CCCN(c2ccc(-c3cccc(N4CCNCC4)c3)nc2)CC1,WLQCIUDVKYRUCE-UHFFFAOYSA-N
-rxn:4:213981:224801,CCCOc1cc(-c2nccc(C3CCN(C(=O)OC(C)(C)C)CC3C)n2)cc(C(F)(F)F)c1F,KUVZJHPLJDDROY-UHFFFAOYSA-N
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-rxn:4:213988:223133,CC(C)(C)OC(=O)N1CCCN(c2ccc(-c3ccccc3N3CCNCC3)cn2)CC1,GWGOFBIHVYOJDB-UHFFFAOYSA-N
-rxn:4:213998:224787,CCCCSc1ncc(C(F)(F)F)cc1-c1cncc(N2CCN(C(=O)OC(C)(C)C)C(C)C2)c1,JKBPLDZCOKMJAQ-UHFFFAOYSA-N
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-rxn:4:214026:227310,CCC(C)c1ncc(-c2cc(C(F)(F)F)cnc2N2CCCC(C(=O)N3CCOCC3)C2)cc1Cl,RATWAJRLNJJDRA-UHFFFAOYSA-N
-rxn:4:214033:228388,Cc1cnc(C(F)F)cc1-c1cc(C2=N[C@@H](C(C)C)CO2)nc(C2=N[C@@H](C(C)C)CO2)c1,QVKUKPOFAJMJGJ-NHCUHLMSSA-N
-rxn:4:214048:225735,CCOc1cc(-c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3C)cc2C)cc(Cl)c1OCC,DFABXMDGXGLAPI-UHFFFAOYSA-N
-rxn:4:214062:224746,CCN1CCN(Cc2ccc(-c3ccc(N4CCN(C(C)=O)CC4)nc3)cc2N2CCOCC2)CC1,DAPMSELMNWBVSK-UHFFFAOYSA-N
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-rxn:4:214677:224325,CCN1CCN(c2cc(-c3ccc(C4=CCN(S(C)(=O)=O)CC4)cc3)ccc2C#N)CC1,RIRWLWYGLZCBDJ-UHFFFAOYSA-N
-rxn:4:214682:224100,CCN1CCN(C(=O)c2ccc(F)c(-c3ccccc3OCCN3CCC(C)CC3)n2)CC1,TXGSCVUCTMXEGK-UHFFFAOYSA-N
-rxn:4:214698:223838,CCCc1nc(N2CCN(C)CC2)sc1-c1ccc(N2CCN(S(=O)(=O)N(C)C)CC2)cc1,MNQBRZWEKNRVEE-UHFFFAOYSA-N
-rxn:4:214710:224376,CCN1CCN(S(=O)(=O)c2cncc(-c3cccc(S(=O)(=O)N4CCN(C)CC4)c3)c2)CC1,YPRQBUVDTLVDDR-UHFFFAOYSA-N
-rxn:4:214711:224818,CCS(=O)(=O)N1CCN(c2ccc(-c3ccc(S(=O)(=O)N4CCSCC4)cc3)cn2)CC1,LTOPYLNMFMNUQQ-UHFFFAOYSA-N
-rxn:4:214730:223542,CN1CCN(S(=O)(=O)c2cc(-c3ccc(N4CCN(S(=O)(=O)C5CC5)CC4)nc3)ccc2OC(F)(F)F)CC1,NJZIQXZOTLNLDW-UHFFFAOYSA-N
-rxn:4:214743:224672,CCN1CCN(c2ccc(-c3cccc(N4CCC(N(C)C)CC4)c3C#N)c(Cl)c2)CC1,LPRSZQHKYUUNSI-UHFFFAOYSA-N
-rxn:4:214753:224676,CC(C)N1CCN(C(=O)c2ncc(-c3ccccc3C(=O)N3CCN(C)CC3)cc2Cl)CC1,CLAQOQZJMOZHRG-UHFFFAOYSA-N
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-rxn:4:214819:226296,CC(C)OCc1cc(F)cc(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCCC3)C2)c1,AOLGTPSLTRXICV-UHFFFAOYSA-N
-rxn:4:214830:223028,CCCNC(=O)c1ccc(F)c(-c2ccc(N3CCOC(C(=O)N4CCSCC4)C3)nc2)c1,XRDCVNOYGNWQBJ-UHFFFAOYSA-N
-rxn:4:214835:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCOCC3)C2)CC1,SIHILCAOPCAZPU-UHFFFAOYSA-N
-rxn:4:214837:223806,COc1ccc(COc2c(F)ccc(-c3cnc(N4CCOC(C(=O)N5CCSCC5)C4)c(Cl)c3)c2F)cc1,FRLTZUSDPYDSCM-UHFFFAOYSA-N
-rxn:4:214838:223242,O=C(C1CN(c2ncc(-c3ccnc(C4CCNC4)c3)cc2F)CCO1)N1CCOCC1,USJTVBQRNLCYSS-UHFFFAOYSA-N
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-rxn:4:214839:223907,O=C(OCc1ccccc1)c1ccc(-c2cnc(N3CCOC(C(=O)N4CCSCC4)C3)c(F)c2)c(F)c1,CNPBAUMRAWLNDR-UHFFFAOYSA-N
-rxn:4:214852:225665,O=C(c1cncc(-c2ccc(Cl)cc2N2CCCCC2)c1)N1CCC(N2CCCC2)CC1,SFOLKWSGWOIWBV-UHFFFAOYSA-N
-rxn:4:214867:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cnc(N2CCOC(C(=O)N3CCCC3)C2)c(C)c1,LVQIERWGMUCGIM-UHFFFAOYSA-N
-rxn:4:214885:225222,CC1CCCCN1c1cc(-c2cnc(N3CCC(C(=O)N4CCC(F)(F)CC4)CC3)c(Cl)c2)c(F)cn1,ZCERATVQDNGZDQ-UHFFFAOYSA-N
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-rxn:4:214890:222938,O=C(NCC(F)(F)F)c1cccc(-c2cncc(C(=O)N3CCCN(C4CCSCC4)CC3)c2)c1,NNDWZCJDMNJOIX-UHFFFAOYSA-N
-rxn:4:215099:222637,CC(NC(=O)OC(C)(C)C)c1ccc(-c2cnn3c2CN(C(=O)OC(C)(C)C)[C@H](C)C3)cc1,QLZVDGKLAPYXPN-TZHYSIJRSA-N
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-rxn:4:215101:224082,CCC(C(=O)OC(C)(C)C)c1cccc(-c2ncc3n2CCN(C(=O)OC(C)(C)C)CC3)c1,MQXRKLCDBREYKD-UHFFFAOYSA-N
-rxn:4:215107:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2cnn3c2CN(C(=O)OC(C)(C)C)CCC3)cc1,AFLBIOMWGRDAQO-UHFFFAOYSA-N
-rxn:4:215109:222912,CC(C)CNS(=O)(=O)c1ccc(-c2c3c(nn2C)CCN(C(=O)OC(C)(C)C)C3)cc1,OUYOTKOQEVRRPD-UHFFFAOYSA-N
-rxn:4:215170:223507,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccccc2-c2cncc(C(=O)N3CC(N4C(=O)C5CC=CCC5C4=O)C3)c2)CC1,FLCLQXDKIWSAFQ-UHFFFAOYSA-N
-rxn:4:215198:226255,CCCCOc1ccc(Cl)cc1-c1ccc2nc(N3CCOC(C(=O)N4CCOCC4)C3)sc2c1,ASENSURTDVVBIE-UHFFFAOYSA-N
-rxn:4:215214:227586,CCOc1ccc(Cl)c(-c2cnc3n2CC2(COCCN(C(=O)OC(C)(C)C)C2)C3)c1F,CVBNGZLPDBIMJQ-UHFFFAOYSA-N
-rxn:4:215216:223676,O=C(C1CCCN(c2nc3ccc(-c4cc(OCc5ccccc5)cc(C(F)(F)F)c4F)cc3s2)C1)N1CCOCC1,SILVPAVZIHRIPY-UHFFFAOYSA-N
-rxn:4:215228:223674,O=C(C1CCCCC1)N1CCN(c2nc3ccc(-c4ccc(COc5cc(C(F)(F)F)ccc5Cl)cc4)cc3s2)CC1,ZECCMRAUNLQPED-UHFFFAOYSA-N
-rxn:4:215275:222795,O=C(Nc1ccc(-c2ccc3c(c2)C2CC(c4ccc(Cl)cc4)=NN2C(c2ccc([N+](=O)[O-])cc2)O3)cc1)N1CCOCC1,GVRBUQVSWIEZOX-UHFFFAOYSA-N
-rxn:4:215391:223606,NS(=O)(=O)c1ncc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c(F)c2)cc1[N+](=O)[O-],DKYHDHCYNDYCCL-UHFFFAOYSA-N
-rxn:4:215861:222696,CN1CCN(C(=O)c2cc(-c3ccc(F)c(C(=O)N4CCC(O)CC4)c3)cnc2Cl)CC1,KLFMAWNMNCTXKE-UHFFFAOYSA-N
-rxn:4:215904:224325,CS(=O)(=O)N1CC=C(c2ccc(-c3ccc(N4CCN(S(C)(=O)=O)CC4)nc3)cc2)CC1,AJIKCCSXQKNXHP-UHFFFAOYSA-N
-rxn:4:215907:222723,CN1CCN(S(=O)(=O)c2ccc(-c3cccc(NS(=O)(=O)N4CCOCC4)c3)cn2)CC1,DDGOEIFTNQVFJW-UHFFFAOYSA-N
-rxn:4:215940:223992,Cc1ccc(-c2ccc(N3CCC(N(C)C)CC3)cn2)cc1S(=O)(=O)N1CCN(C)CC1,PHEOEVPGQWKVBQ-UHFFFAOYSA-N
-rxn:4:215941:223728,CCCCCC1CCC(c2ccc(-c3ccncc3N3CCC(N(C)C)CC3)c(F)c2)CC1,YWRWWUVTZJQDHY-UHFFFAOYSA-N
-rxn:4:215942:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3ncccc3N3CCC(N(C)C)CC3)cc2)CC1,OMJJKQWVHLLOBU-RQNOJGIXSA-N
-rxn:4:215943:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccnc(N4CCC(N(C)C)CC4)c3)c(F)c2)CC1,VTRYQXDOWNHRQN-YHBQERECSA-N
-rxn:4:215943:223728,CCCCCC1CCC(c2ccc(-c3ccnc(N4CCC(N(C)C)CC4)c3)c(F)c2)CC1,VTRYQXDOWNHRQN-UHFFFAOYSA-N
-rxn:4:215943:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccnc(N4CCC(N(C)C)CC4)c3)cc2)CC1,ITFNKKBTMIFAQI-RQNOJGIXSA-N
-rxn:4:215955:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnccc3N3CCC(N(C)C)CC3)c(F)c2)CC1,ZIWMQRIUNKUWDE-YHBQERECSA-N
-rxn:4:215956:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cncc(N4CCC(N(C)C)CC4)c3)c(F)c2)CC1,WRBWUYJDMICQRS-YHBQERECSA-N
-rxn:4:215956:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3cncc(N4CCC(N(C)C)CC4)c3)cc2)CC1,PLQIRQRRAAFIMC-RQNOJGIXSA-N
-rxn:4:215956:223993,Cc1cc(-c2cncc(N3CCC(N(C)C)CC3)c2)ccc1S(=O)(=O)N1CCN(C)CC1,FEIBZCSFPWTLHA-UHFFFAOYSA-N
-rxn:4:215957:223728,CCCCCC1CCC(c2ccc(-c3cccnc3N3CCC(N(C)C)CC3)c(F)c2)CC1,FWZCCDKPQASUAJ-UHFFFAOYSA-N
-rxn:4:215957:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3cccnc3N3CCC(N(C)C)CC3)cc2)CC1,OXBYDZBCMGXUKO-RQNOJGIXSA-N
-rxn:4:215957:223992,Cc1ccc(-c2cccnc2N2CCC(N(C)C)CC2)cc1S(=O)(=O)N1CCN(C)CC1,HEJIPBBEWBYCAH-UHFFFAOYSA-N
-rxn:4:217161:223698,CN1CCN(c2cccc(-c3ccc(OC(F)(F)F)c(S(=O)(=O)N4CCCC4)c3)n2)CC1,WVFQOXNWNMFJNZ-UHFFFAOYSA-N
-rxn:4:217889:224379,CN1CCN(S(=O)(=O)c2ccccc2-c2cnc(N3C4CCC3CC(=C3CC3)C4)nc2)CC1,DVFBTDDRFJHLFR-UHFFFAOYSA-N
-rxn:4:218556:223983,CCN(CC)CCn1ncn(-c2ccc(-c3ccccc3S(=O)(=O)N3CCN(CC)CC3)cc2F)c1=O,SNRLTFPCIYUYHP-UHFFFAOYSA-N
-rxn:4:218587:225312,CN1CCCN(c2ncc(-c3cnc(OCC4CCN(S(=O)(=O)c5ccc(C#N)cc5)CC4)nc3)cn2)CC1,YJKMQEFGLLUOGK-UHFFFAOYSA-N
-rxn:4:218603:223933,CC(C)(C)OC(=O)n1c(-c2cnc(OCC3CCCN(C(=O)CN4C(=O)CCC4=O)C3)nc2)cc2cc(F)ccc21,MAFSTBZRRKOGBS-UHFFFAOYSA-N
-rxn:4:218631:225321,CCOC(=O)c1cnn2cc(-c3cnc(OCC4CCN(C5CCN(CC(F)(F)F)C5=O)CC4)nc3)cnc12,NPHVVDAEUVPBPW-UHFFFAOYSA-N
-rxn:4:218655:225875,COc1cc(=O)n(C)cc1C(=O)N1CCC(COc2ncc(-c3ccc(N4CCOCC4)cc3Cl)cn2)CC1,BCASXKWGOBLRFQ-UHFFFAOYSA-N
-rxn:4:218656:223113,COc1cc(=O)n(C)cc1C(=O)N1CCCC(COc2ncc(-c3ccc4c(c3)C(C)(C)C(=O)N4)cn2)C1,FGJYTYCMGJASDM-UHFFFAOYSA-N
-rxn:4:218684:223184,CC(C)(C)OC(=O)N1CCN(c2nc(-c3cccc(-c4cnc(N5CCNCC5)nc4)c3)ccc2C#N)CC1,PNMGJAPANNWCPN-UHFFFAOYSA-N
-rxn:4:218711:226822,CC(C)(C)OC(=O)N1CCN(C2CCN(c3ccc([N+](=O)[O-])cc3-c3cnc(-c4cccs4)nc3Cl)CC2)CC1,QRIBGVWITXEEIH-UHFFFAOYSA-N
-rxn:4:218712:228785,COc1cc(Cl)ccc1-c1c(C)nn(C(C)CC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3C)CC2)c1C,PVRCXSHJZPDVRA-UHFFFAOYSA-N
-rxn:4:218754:225613,CC(C)(C)OC(=O)N1CCC(n2c(=O)c3scc(-c4ccnc(OC5CCCCC5)c4)c3n(CC#N)c2=O)CC1,CNHPNBZFVKQZJQ-UHFFFAOYSA-N
-rxn:4:218763:222519,CC(C)(C)OC(=O)Nc1ccc(C(F)(F)F)cc1-c1ccc2c(-c3ncnc4c3ccn4COCC[Si](C)(C)C)c[nH]c2c1,CTHVCMLQQCMSES-UHFFFAOYSA-N
-rxn:4:218766:225109,Cn1cc(CC(=O)N2CCC(COc3ncc(-c4cccc(OC(=O)OC(C)(C)C)c4)cn3)CC2)c2ccccc21,ZGHIRAXDAMTREO-UHFFFAOYSA-N
-rxn:4:218775:228266,CSc1c(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCCCCC4)CC3)c2)ccc(C)c1Cl,VNUXUXOWZCZCPX-UHFFFAOYSA-N
-rxn:4:218824:224616,CN(CC1CN(c2ncc(-c3ccccc3OCCN3CCOCC3)cn2)C1)S(=O)(=O)C1CC1,QJEVOSSAHIVPHE-UHFFFAOYSA-N
-rxn:4:218831:224321,CC1CCN(S(=O)(=O)c2cccc(-c3cnc(OCC4CCN(C(=O)c5cscn5)CC4)nc3)c2)CC1,RMZKKSVVXATTBM-UHFFFAOYSA-N
-rxn:4:218867:226338,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3ccnc(OC4CCCC4)c3)c2)no1,ZQUXUAJMVVTKGK-UHFFFAOYSA-N
-rxn:4:218867:226794,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3cnc(N4CCSCC4)nc3)c2)no1,PJCYHGPAONATMB-UHFFFAOYSA-N
-rxn:4:218868:224426,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3cc(C4CCCCC4)cc(C4CC4)c3)cc2)no1,HIPTWBCSPAPVKA-UHFFFAOYSA-N
-rxn:4:218889:222634,Cc1cc(C(=O)N2CCCC(COc3ncc(-c4ccc(OCCNC5CCCC5)c(F)c4)cn3)C2)no1,CDHCXYALXKEUQY-UHFFFAOYSA-N
-rxn:4:218903:226549,CCOc1c(Cl)cc(-c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)c(C#N)c2)cc1OC,KEZFJSYAEKSCPJ-UHFFFAOYSA-N
-rxn:4:218945:228232,CC(C)(C)OC(=O)N1CCN(c2c(-c3cnc(Cl)c(C4CC4)c3)cncc2[N+](=O)[O-])CC1,NLQJAJRULKEIPW-UHFFFAOYSA-N
-rxn:4:218964:222716,CC(=O)N1CCC(C(=O)N2CC(Cn3cc(-c4ccc(S(=O)(=O)NC5CCCC5)c(F)c4)cn3)C2)CC1,DGEPQZMEOOPKAF-UHFFFAOYSA-N
-rxn:4:218992:228091,CCN(CC)c1ccc(-c2cnn(CC3CN(C(=O)C4CCN(S(C)(=O)=O)CC4)C3)c2)s1,QCTMHBBLIVIYAM-UHFFFAOYSA-N
-rxn:4:218993:223595,Cc1nc(C)c(CN2CCC(COc3ncc(-c4ccc(N5CCN(C(=O)OC(C)(C)C)CC5)c(F)c4)cn3)CC2)s1,UFJWKLLOMREBQL-UHFFFAOYSA-N
-rxn:4:219013:225138,CC1CN(c2c(-c3ccn(-c4ccnc(C5CC5)c4)n3)cncc2[N+](=O)[O-])CCN1C(=O)OC(C)(C)C,QZKGDBMERHHMIX-UHFFFAOYSA-N
-rxn:4:219046:226088,CCN(CC)Cc1ccc(-c2cnc(OCC3CCCN(C4CCN(C5CC5)C4=O)C3)nc2)cc1,RBYADEMHGLTTOB-UHFFFAOYSA-N
-rxn:4:219048:225213,CN1CCN(c2ccc(-c3ccc(S(=O)(=O)N4CCC(N(c5ccncn5)C5CC5)CC4)cc3)c(Cl)c2)CC1,ZYFKVUCTOWTVSS-UHFFFAOYSA-N
-rxn:4:219053:223003,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cncc(-c4ccc(Cl)c(C5CCNCC5)c4)c3)cn2)CC1,KCMNXVFSJURGGI-UHFFFAOYSA-N
-rxn:4:219053:223059,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cncc(-c4ccc(N5CCNCC5)cc4Cl)c3)cn2)CC1,VZYLQNPPVZOZNS-UHFFFAOYSA-N
-rxn:4:219053:223065,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cncc(-c4ccc(N5CCNCC5)cc4F)c3)cn2)CC1,MKSYGRWOASSOCR-UHFFFAOYSA-N
-rxn:4:219053:225875,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cncc(-c4ccc(N5CCOCC5)cc4Cl)c3)cn2)CC1,JKNJIVSKFNGGAP-UHFFFAOYSA-N
-rxn:4:219053:225876,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cncc(-c4cc(Cl)ccc4N4CCOCC4)c3)cn2)CC1,NCXFCNIUFDXGBK-UHFFFAOYSA-N
-rxn:4:219074:224494,COc1cccc(C(=O)N2CCCN(c3cc(-c4ccc(-c5ccc(CCOC6CCCCO6)cc5)cc4)n[nH]3)CC2)c1,SRJONZAEMDZYOQ-UHFFFAOYSA-N
-rxn:4:219078:223977,CC(C)(C)OC(=O)c1ccc(C(F)(F)F)cc1-c1ccccc1C(=O)N1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2)CC1,VLDVRKXYFJEJAZ-UHFFFAOYSA-N
-rxn:4:219107:225408,CCC(=O)C1=C(c2ccc(-c3cc4c5c(c3)CCCN5CCC4)cc2)N(C(=O)CC)n2c(C)nnc2S1,KERNCWRSTODJCX-UHFFFAOYSA-N
-rxn:4:219155:225110,Cc1cnc(OCC23CCCC2CN(C(=O)c2cncc(-c4ccc(OC(=O)OC(C)(C)C)cc4)c2)C3)nc1,FKWDIBGYWLJFJC-UHFFFAOYSA-N
-rxn:4:219253:223689,CCN1CCN(S(=O)(=O)c2cc(-c3ccccc3C(=O)N3CC(Cn4ccnn4)C3)ccc2OC)CC1,NIFIGUIUMUZQRZ-UHFFFAOYSA-N
-rxn:4:219271:224804,CC(C)Oc1ccc(-c2cnc(N3CCN(CC(F)(F)F)CC3)c([N+](=O)[O-])c2)cc1OC(F)(F)F,YVMJQADVBDNEFD-UHFFFAOYSA-N
-rxn:4:219320:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3cnccc3OC3CCN(c4nccc(C(F)(F)F)n4)C3)c2)CC1,CZWYLMZBDGKXAN-UHFFFAOYSA-N
-rxn:4:219338:224326,Cc1cc(-c2cnc(OC3CCN(C(=O)N(C)C)CC3)nc2)ccc1S(=O)(=O)N1CCCCC1,PJLHJDMDUNBARK-UHFFFAOYSA-N
-rxn:4:219370:223075,CC(C)(C)OC(=O)N1CCCC(n2ncc(-c3ccc(NS(=O)(=O)C4CC4)cc3)n2)C1,HSUUVLBPARTNOE-UHFFFAOYSA-N
-rxn:4:219462:225232,CC1CCN(c2cc(-c3cnc(OC4CCCN(S(=O)(=O)N5CCCC5)C4)nc3)cnc2Cl)CC1,BSFCIBQIPZAYRQ-UHFFFAOYSA-N
-rxn:4:219469:224356,CSc1ncc(-c2cc3sc(Cl)cc3n2C(=O)OC(C)(C)C)c(N2CCCN(S(=O)(=O)C3CC3)CC2)n1,WJYPMANKHZYYLU-UHFFFAOYSA-N
-rxn:4:219477:224974,CN1CCN(Cc2ccccc2-c2ccccc2C(=O)N2CCCN(S(=O)(=O)c3c[nH]cn3)CC2)CC1,ADZFYJLFPOIEQT-UHFFFAOYSA-N
-rxn:4:219479:223927,C[Si](C)(C)CCOCn1c(-c2ccc(Cl)c(C(=O)N3CCCN(S(=O)(=O)c4c[nH]cn4)CC3)c2)cc2cccnc21,KLWAECIZVQTQRA-UHFFFAOYSA-N
-rxn:4:219498:222634,COc1nc(N2CCOC(C(=O)N3CCOCC3)C2)ncc1-c1ccc(OCCNC2CCCC2)c(F)c1,SPHDCXVMPNUMOD-UHFFFAOYSA-N
-rxn:4:219516:224676,CN1CCN(C(=O)c2ccccc2-c2cnc(OC3CCN(CC4CC(=O)N(C)C4)CC3)nc2)CC1,SHAZKZFMRGAOFD-UHFFFAOYSA-N
-rxn:4:219517:225093,CCCOc1c(Cl)cc(-c2cnc(OCC3CCCN(C4CCN(C)C4=O)C3)nc2)cc1OCC,NGPQDVWQBNLGOO-UHFFFAOYSA-N
-rxn:4:219535:222848,CCc1cc(-c2ccccc2C(=O)N2CCCN(S(=O)(=O)c3cnn(C)c3)CC2)cc(C2CCCNC2)n1,SUEMMFWGVAFYEO-UHFFFAOYSA-N
-rxn:4:219547:222589,O=C(c1cccc(-c2ccc(OCCN3CCC(O)CC3)c(Cl)c2)c1)N1CCN(c2cc(-c3ccc(Cl)cc3)n[nH]2)CC1,WADFNIXWGUDXGY-UHFFFAOYSA-N
-rxn:4:219554:222573,CC(=O)N1N=C(c2ccc(-c3cc(F)cc(C(=O)NCC4CCCCC4)c3)cc2)CC1c1cn(-c2ccccc2)nc1C,DNVNWTHLMACCMP-UHFFFAOYSA-N
-rxn:4:219565:223997,Cc1cc(C)c(C#N)c(N2CCCN(S(=O)(=O)c3ccc(-c4cc(C)c(S(=O)(=O)N5CCOCC5)c(C)c4)cc3)CC2)n1,HHNNQZKQLYYVGU-UHFFFAOYSA-N
-rxn:4:219565:224997,Cc1cc(C)c(C#N)c(N2CCCN(S(=O)(=O)c3ccc(-c4ccc(C(=O)N5CCCCC5)cc4)cc3)CC2)n1,OHLDOPNWGIZKDL-UHFFFAOYSA-N
-rxn:4:219627:225293,CC(C)Oc1cc(-c2nnc(N3CC4CCC(C3)N4C(=O)OC(C)(C)C)s2)ccc1C(F)(F)F,CAXHVQMIZBYIPT-UHFFFAOYSA-N
-rxn:4:219638:222721,CC(C)(C)OC(=O)N1CCCC1c1nnn2cc(-c3cc(C4CCNCC4)nc(C(F)(F)F)c3)ccc12,YGPNZGCHRIEBBZ-UHFFFAOYSA-N
-rxn:4:219654:224752,Cc1cc(S(=O)(=O)N2CCCC2)ccc1-c1cc2c(N3CCN(C(=O)OC(C)(C)C)CC3)ncnc2s1,AIQIBLTVLCGZHX-UHFFFAOYSA-N
-rxn:4:219688:222584,CC(C)(C)OC(=O)N1CCC(c2nc3ccc(-c4ccc(OCCCN5CCNCC5)c(F)c4)cn3n2)CC1,VYHIKRRCFGKROM-UHFFFAOYSA-N
-rxn:4:219697:223660,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc(CC(=O)N4Cc5cnc(N6CCOCC6)nc5C4)cc3)s2)CC1,MBYCKMUCZHCIIC-UHFFFAOYSA-N
-rxn:4:219706:224672,CCN1CCN(c2ccc(-c3cc4ncnc(N5CCN(C(=O)OC(C)(C)C)CC5)c4cc3Cl)c(Cl)c2)CC1,SJUDYGORORCIQC-UHFFFAOYSA-N
-rxn:4:219743:224662,CC(C)c1sc(-c2cc(F)ccc2CN2CCN(C)CC2)nc1C(=O)N1CCC(c2nc3ccccc3[nH]2)CC1,DJHHWRKIJUFXRC-UHFFFAOYSA-N
-rxn:4:219743:224663,CC(C)c1sc(-c2ccc(CN3CCN(C)CC3)c(F)c2)nc1C(=O)N1CCC(c2nc3ccccc3[nH]2)CC1,YBSPZKDTWQJUKK-UHFFFAOYSA-N
-rxn:4:219743:224665,CC(C)c1sc(-c2ccc(F)cc2CN2CCN(C)CC2)nc1C(=O)N1CCC(c2nc3ccccc3[nH]2)CC1,VOUVZUHIWPCYQC-UHFFFAOYSA-N
-rxn:4:219743:224666,CC(C)c1sc(-c2ccc(F)c(CN3CCN(C)CC3)c2)nc1C(=O)N1CCC(c2nc3ccccc3[nH]2)CC1,VVSONEGGXFAVKG-UHFFFAOYSA-N
-rxn:4:219743:224668,CCN1CCN(c2cc(F)cc(-c3nc(C(=O)N4CCC(c5nc6ccccc6[nH]5)CC4)c(C(C)C)s3)c2)CC1,FPFPYZOLSKFWHH-UHFFFAOYSA-N
-rxn:4:219743:224669,CC(C)c1sc(-c2ccc(CN3CCN(C)CC3)cc2F)nc1C(=O)N1CCC(c2nc3ccccc3[nH]2)CC1,WBGRYLNDNNNJRX-UHFFFAOYSA-N
-rxn:4:219743:224670,CC(C)c1sc(-c2cc(CN3CCN(C)CC3)ccc2F)nc1C(=O)N1CCC(c2nc3ccccc3[nH]2)CC1,RKDKLSQMCSEGQY-UHFFFAOYSA-N
-rxn:4:219744:224409,CC(C)(C)c1nc2ccccc2n1C1CN(C(=O)c2cncc(-c3cc(OCC(F)(F)F)cc(C(F)(F)F)c3)c2)C1,WTZRDNKWNFXYDB-UHFFFAOYSA-N
-rxn:4:219758:224668,CCN1CCN(c2cc(F)cc(-c3ccccc3CC(=O)N3CCN(c4cc5c(nn4)CCCC5)CC3)c2)CC1,MCSRLQVIBSCYAA-UHFFFAOYSA-N
-rxn:4:219880:222812,CSc1ncc(-c2cnc(Cl)c(NC(=O)OC(C)(C)C)c2)c(N2CCN(S(C)(=O)=O)CC2)n1,HRSJDBZZDBYWGG-UHFFFAOYSA-N
-rxn:4:219952:223977,Cc1cc(-n2nnc(C(=O)N3CCCC3)c2C)ccc1-c1cc(C(F)(F)F)ccc1C(=O)OC(C)(C)C,DVCXSXZDBFCCOJ-UHFFFAOYSA-N
-rxn:4:219955:226249,CCCCOc1cc(Cl)cc(-c2cnc(N3CCOC(C(=O)N4CCSCC4)C3)nc2)c1,LIRHNBGBFDRDHD-UHFFFAOYSA-N
-rxn:4:219975:226255,CCCCOc1ccc(Cl)cc1-c1cnc(N2CCOC(C(=O)N3CCCCC3)C2)nc1,RBISLUZUCODRCU-UHFFFAOYSA-N
-rxn:4:219991:222447,COc1ccc2c(c1-c1cncc(C(=O)N3CCC(N4CC(=O)N(C)C4=O)CC3)c1)N=C(NC(=O)OC(C)(C)C)C2,CRVFSXRSSHNEDW-UHFFFAOYSA-N
-rxn:4:220137:224393,O=S(=O)(C1CC1)N1CCN(c2ncc3cc(-c4cc(C(F)(F)F)ccc4N4CCOCC4)ccc3n2)CC1,KCPINICBHAPFGH-UHFFFAOYSA-N
-rxn:4:220221:225889,CN1CCN(C(=O)c2cc3n(n2)CC(c2ccc(-c4ccnn4COCC[Si](C)(C)C)cc2)OC3)CC1,NBJJMWXFRQOTTF-UHFFFAOYSA-N
-rxn:4:220222:224590,Cc1ccc(-c2ccc(CN3CCC(C)CC3)cc2F)cc1C(=O)N1CCN(c2cc3c(nn2)CCC3)CC1,XIAAWEQKMGGEIQ-UHFFFAOYSA-N
-rxn:4:220222:224807,Cc1ccc(-c2cc(C(F)(F)F)cc(OC(C)C)c2F)cc1C(=O)N1CCN(c2cc3c(nn2)CCC3)CC1,PODJSDWJMLTOBB-UHFFFAOYSA-N
-rxn:4:220228:223530,Cc1nc(-c2c3n(c(=O)n(Cc4cccc(-c5cc(F)ccc5CN5CCN(C(=O)OC(C)(C)C)CC5)c4)c2=O)CCCCC3)no1,AXKQSPAKVLCJRW-UHFFFAOYSA-N
-rxn:4:220240:223900,Cn1cc(-c2nc(-c3ccc(-c4ccc(CCO[Si](C)(C)C(C)(C)C)c(F)c4)cc3)no2)c(=O)c2cc(F)c(N3CCCCC3)cc21,WHXRYTBCPQDVIL-UHFFFAOYSA-N
-rxn:4:220412:222546,CC(C)N1CCN(c2ncc(-c3ccc(OCCNC4CCCCC4)c(F)c3)cn2)CC1,CMFMITSOHMALME-UHFFFAOYSA-N
-rxn:4:220536:222621,CC(C)Cc1cc(-c2ccc3ncnc(N4CCN(C5CCC5)CC4)c3c2)cc(C2CCCNC2)n1,HMDWGFLXSODYIO-UHFFFAOYSA-N
-rxn:4:220540:223918,Cc1cc(C)cc(N2C(=O)C3N=NN(c4ccc(-c5cc(C(=O)N(C)C6CCCCC6)ccc5F)cc4)C3C2=O)c1,PMXKXKYLRKSMGM-UHFFFAOYSA-N
-rxn:4:221090:224502,CCOC(=O)c1cnc(N2CCCC2)nc1Cn1cc(-c2cccc(OCC3CCCCN3C)c2)cn1,IDMKVMLUXAEXAA-UHFFFAOYSA-N
-rxn:4:221094:224796,CC(C)(C)COS(=O)(=O)c1cncc(-c2cnn(CC3CN(C(=O)Cn4cnc(C5CC5)cc4=O)C3)c2)c1,SDMGYHXXDDFGBG-UHFFFAOYSA-N
-rxn:4:221100:223076,COc1nn(C)cc1C(=O)N1CCC(COc2ncc(-c3cccc(S(=O)(=O)NC4CC4)c3)cn2)CC1,GUUOIEONNCWJPF-UHFFFAOYSA-N
-rxn:4:221111:224581,Cc1ccn(-c2ccc(C3CC3)c(-c3cccc(N4CC(C(=O)N5CCN(CCn6ccnc6)CC5)CC4=O)c3)c2)n1,SKKPSROIQQPKEL-UHFFFAOYSA-N
-rxn:4:221113:227611,O=C(Cc1ccccc1-c1ccnn1C1CCCCO1)N1CCN(Cc2nncn2C2CCCCC2)CC1,MRNFRJQNZOKLDL-UHFFFAOYSA-N
-rxn:4:221164:222723,COc1ccnc(N2CCCC(COc3ncc(-c4cccc(NS(=O)(=O)N5CCOCC5)c4)cn3)C2)n1,APARRZYSHDJCCU-UHFFFAOYSA-N
-rxn:4:221169:223902,CC1CCN(CCOc2ccc(-c3cnc(OCC4CCCN(S(=O)(=O)c5cnn(C)c5)C4)nc3)cc2F)CC1,FYZGRDJAWVXTPQ-UHFFFAOYSA-N
-rxn:4:221169:225003,COc1cc(N2CCCCC2)ccc1-c1cnc(OCC2CCCN(S(=O)(=O)c3cnn(C)c3)C2)nc1,QHGQMJPXIPJUAH-UHFFFAOYSA-N
-rxn:4:221175:227594,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4cccc(Cl)c4C(=O)OC)cn3)C2)C(=O)C1=O,HEQBALXORBOHKM-UHFFFAOYSA-N
-rxn:4:221203:223180,CONC(=O)c1ccc(-c2ccc(CCN3CCN(c4ccc(N5CCOCC5)nn4)CC3)cc2)cc1F,HTCXNMGLUMREKT-UHFFFAOYSA-N
-rxn:4:221209:223661,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4cc(C(=O)OCc5ccccc5)cc([N+](=O)[O-])c4)cc3)CC2)n1,LBSBOEIBIOTGMO-UHFFFAOYSA-N
-rxn:4:221214:222722,CCN(CC)C(=O)Cn1c(-c2cccc(S(=O)(=O)N3CCC(O)CC3)c2)nc2c1c(=O)n(C)c(=O)n2C,OYQKBOHJERMPRT-UHFFFAOYSA-N
-rxn:4:221230:225542,CCCCCc1ccc(-c2cnc(OCC3CCCN(c4nc5c(cc4C#N)CCC5)C3)nc2)c(F)c1F,NQVAROLJXVNBRA-UHFFFAOYSA-N
-rxn:4:221233:222546,Cc1cn2nc(OCC3CCN(C(=O)c4cncc(-c5ccc(OCCNC6CCCCC6)c(F)c5)c4)CC3)ccc2n1,YGDBZUIDUHONCP-UHFFFAOYSA-N
-rxn:4:221247:224407,Cn1c(=O)c2c(SCC(=O)N3CCOCC3)nc(-c3ccc(-c4cccc(S(=O)(=O)N5CCC(F)(F)C5)c4)cc3)nc2n(C)c1=O,BQEHQPAMVMYDMR-UHFFFAOYSA-N
-rxn:4:221339:223489,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3cnc(OCC4CCCN(c5ncccn5)C4)nc3)cc2)CC1,MKDJLZYBMLLRDU-UHFFFAOYSA-N
-rxn:4:221369:223595,Cn1nc(C(=O)N2CCCC(Oc3ncc(-c4ccc(N5CCN(C(=O)OC(C)(C)C)CC5)c(F)c4)cn3)C2)ccc1=O,SADGNCPKHPRNRI-UHFFFAOYSA-N
-rxn:4:221387:223533,Cc1ncnc(OCC2CCN(c3ncc(-c4ccc(CN5CCN(C(=O)OC(C)(C)C)CC5)cc4F)cn3)CC2)c1C,NMQZYEDVAMZBNQ-UHFFFAOYSA-N
-rxn:4:221395:223596,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)ccc2-c2cnc(N3CCC(Cn4cnc(C5CC5)cc4=O)CC3)nc2)CC1,KXLHCYQLNVNXGZ-UHFFFAOYSA-N
-rxn:4:221424:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cccc(CN2CCN(c3ccc(N4CCOCC4)nn3)CC2)c1,OXHLZVMUNRVZTL-UHFFFAOYSA-N
-rxn:4:221429:222833,CC(C)CCC(=O)Nc1cccc(-c2ccc(CN3CCN(c4nccc(N5CCOCC5)n4)CC3)cc2)c1,ZSFOEGLQOKWCOE-UHFFFAOYSA-N
-rxn:4:221440:222985,Cc1cc(N2CCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C5CCCNC5)nc4C)cc3)CC2)n1,OCSSTRRDETVZME-UHFFFAOYSA-N
-rxn:4:221503:223694,CCN1CCN(S(=O)(=O)c2cc(-c3cnc(OCC4CCN(c5cnc6ccccc6n5)CC4)nc3)c(F)cc2C)CC1,VOVBBRWTOXHTCF-UHFFFAOYSA-N
-rxn:4:221515:225161,O=C(c1cncc(-c2ccc(F)c(C(=O)N3CCCC3)c2)c1)N1CC2CN(c3cc(C4CC4)ncn3)CC2C1,LRHULNOMYNBRJK-UHFFFAOYSA-N
-rxn:4:221521:224302,Cc1nc2c(c(N3CCCC(COc4ncc(-c5ccc(Cl)c(O[Si](C)(C)C(C)(C)C)c5F)cn4)C3)n1)CCC2,WLRQTOAMNFOYBZ-UHFFFAOYSA-N
-rxn:4:221522:223945,COc1ccc2c(=O)n(CC3CCN(c4ncc(-c5ccc(OCCCN6CCOCC6)c(F)c5)cn4)CC3)cnc2c1,BHIUEHZQIBMHMP-UHFFFAOYSA-N
-rxn:4:221563:224733,CC(C)CCn1c(=O)c2c(nc3n2CCCN3c2ccc(-c3ccc(OC(F)F)c(OC4CCC4)c3)cc2)n(C)c1=O,ORQTVMMAMOAODL-UHFFFAOYSA-N
-rxn:4:221572:223866,CC(C)CCn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3ccccc3CN3C(C)(C)CCCC3(C)C)cc2)n(C)c1=O,KYNPVAGLVAMNHQ-UHFFFAOYSA-N
-rxn:4:221723:223997,Cc1cc(-c2cnc(N3CCC(Cn4nc5c(cc4=O)CCC5)CC3)nc2)cc(C)c1S(=O)(=O)N1CCOCC1,XJBYGYGTAPCCTO-UHFFFAOYSA-N
-rxn:4:221726:223830,CCN1CCN(S(=O)(=O)c2cc(-c3cnc(N4CCC(N(C)C5=NS(=O)(=O)c6ccccc65)CC4)nc3)ccc2C)CC1,QOUKUNZUZOZOFB-UHFFFAOYSA-N
-rxn:4:221912:223591,CC(C)(C)OC(=O)N1CCN(c2ccc(F)c(-c3cnc(OCC4CCCN(CCn5nccn5)C4)nc3)c2)CC1,UUMGTUYINQYQEG-UHFFFAOYSA-N
-rxn:4:221935:223508,N#Cc1nccnc1N1CCCC(COc2ncc(-c3ccc(N4CCN(S(=O)(=O)c5ccc(Cl)cc5)CC4)nc3)cn2)C1,KGAYSTQSOBCRHJ-UHFFFAOYSA-N
-rxn:4:221943:225123,O=C1CCCN1Cc1cn(C2CN(C(=O)c3cncc(-c4ccncc4OCC4CCCCO4)c3)C2)nn1,GHCZUPDUKUBXEP-UHFFFAOYSA-N
-rxn:4:221980:222546,CC(C)(C)OC(=O)N1CCN(c2cc(=O)n3nc(-c4cncc(-c5ccc(OCCNC6CCCCC6)c(F)c5)c4)sc3n2)CC1,SHVGGODQUUFYMR-UHFFFAOYSA-N
-rxn:4:221980:222634,CC(C)(C)OC(=O)N1CCN(c2cc(=O)n3nc(-c4cncc(-c5ccc(OCCNC6CCCC6)c(F)c5)c4)sc3n2)CC1,CRAFGLGPHDDEGE-UHFFFAOYSA-N
-rxn:4:221980:225976,CC(C)(C)OC(=O)N1CCN(c2cc(=O)n3nc(-c4cncc(-c5ccnc(N6CCOCC6)c5F)c4)sc3n2)CC1,JZXBETWZAUNDPK-UHFFFAOYSA-N
-rxn:4:221986:223178,CCN1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(-c3cc(C(=O)NOC)ccc3F)cc2)CC1,HUEOYKVVIVVMAJ-UHFFFAOYSA-N
-rxn:4:222048:224120,Cc1cc(-c2ccc(C(=O)N3CCN(c4ccc(-n5nc(C)c(C)c5C)nn4)CC3)o2)ccc1CO[Si](C)(C)C(C)(C)C,GMIDNXFBTRBTML-UHFFFAOYSA-N
-rxn:4:222062:222841,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C(=O)NC5CCCC5)cc4)cc3)CC2)n1,UTDHGVZHUFOTEF-UHFFFAOYSA-N
-rxn:4:222062:223180,CONC(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCN(C)CC5)n4)CC3)cc2)cc1F,MGMLYPHDSUNGAW-UHFFFAOYSA-N
-rxn:4:222062:223184,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cnc(N5CCNCC5)nc4)cc3)CC2)n1,UVEWFJAGXXUXFK-UHFFFAOYSA-N
-rxn:4:222062:223199,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccc(C5CCNC5)c4)cc3)CC2)n1,DXCFWNCLKZEFFK-UHFFFAOYSA-N
-rxn:4:222062:223200,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C5CCNC5)cc4)cc3)CC2)n1,RXHHVWGZKSTRSS-UHFFFAOYSA-N
-rxn:4:222062:223201,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccccc4C4CCNC4)cc3)CC2)n1,CUMYRWKEXVUEJA-UHFFFAOYSA-N
-rxn:4:222062:223202,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C5(O)CCC5)cc4)cc3)CC2)n1,IXAKNFSPIRSURR-UHFFFAOYSA-N
-rxn:4:222075:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3cnn(CC4CN(c5nccn6nc(C7CC7)cc56)C4)c3)c2)CC1,ARGVQGMLLMNGMB-UHFFFAOYSA-N
-rxn:4:222107:225228,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5cccc(-c6ccc(N7CCN(C)CC7)cc6F)c5)no4)C3C2=O)cc1F,DEIZLVIOLBFOIN-UHFFFAOYSA-N
-rxn:4:222108:225087,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(OCCCN(C)C)c(F)c6)cc5)no4)C3C2=O)cc1F,LUIJHDLJBHKFPU-UHFFFAOYSA-N
-rxn:4:222156:223596,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)ccc2-c2cnc(N3CCN(c4ncnc(C5CC5)c4F)CC3)nc2)CC1,COGIBKHVHCIDLP-UHFFFAOYSA-N
-rxn:4:222163:224290,Cc1nc(C2CC2)cc(N2CCN(c3ncc(-c4ccc(Cl)cc4OCCN4CCOCC4)cn3)CC2)n1,KGSSGMUWAQIKOO-UHFFFAOYSA-N
-rxn:4:222264:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cncc(C(=O)N(C)C4CN(c5ccc6nnc(C7CC7)n6n5)C4)c3)c(F)c2)CC1,DSIOUYYUIWLLBE-RQNOJGIXSA-N
-rxn:4:222332:224975,CCN1CCN(c2ccc(-c3cnc(N4CCN(c5cc(N6CCOCC6)ncn5)CC4)nc3)cc2)CC1,XOJVLKNMXQCWGT-UHFFFAOYSA-N
-rxn:4:222337:225828,Cc1cc(N2CCOCC2)nc(N2CCN(c3ncc(-c4cnc(N5CCCCCC5)nc4)cn3)CC2)n1,QGCRXMRUGDFWED-UHFFFAOYSA-N
-rxn:4:222462:197870,CC(C)(C)OC(=O)Nc1nc2cc(F)c(-c3ccc4c(c3)C(=O)N(C(C)(C)C)S4(=O)=O)c(F)c2s1,VJUQAKRBYXFWRF-UHFFFAOYSA-N
-rxn:4:222543:173921,COC(=O)C(C(=O)OC)c1cccc(-c2ccc(C3(NC(=O)OC(C)(C)C)CC3)cc2)c1,SWJNGXPNEJNOGQ-UHFFFAOYSA-N
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-rxn:4:222612:189566,N#Cc1cc(-c2cc(S(=O)(=O)N3CCC(O)CC3)ccc2F)ccc1OC1CCSCC1,QUSINKFZXOVLLC-UHFFFAOYSA-N
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-rxn:5:178295:228515:225394,CCc1cccc(C)c1-c1ccc(-c2cc(C3CCC3)cc(C3CC3)c2)cc1C1(C(=O)OC)CCC(=O)CC1,VKGASJUKTJETGQ-UHFFFAOYSA-N
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-rxn:5:178295:228630:226085,CCc1cc(F)cc(-c2ccc(-c3ccc4c(c3)CCC(C)(C)O4)cc2C2(C(=O)OC)CCC(=O)CC2)c1,NVUOXZDVRVSQPS-UHFFFAOYSA-N
-rxn:5:178295:228697:226067,COCc1cc(-c2ccc(-c3ccc(C4=CCCCC4)cc3)cc2C2(C(=O)OC)CCC(=O)CC2)ccn1,HKCICMVJNJUTND-UHFFFAOYSA-N
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-rxn:5:178314:223062:226139,CC(C)(C)[Si](C)(C)Oc1cc(-c2cnc(C3CCNCC3)cc2F)ccc1-c1cc(C2CC2)cnc1C1CC1,JQVHNOHDQXMJAY-UHFFFAOYSA-N
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-rxn:5:178314:226139:223056,CC(C)(C)[Si](C)(C)Oc1cc(-c2cc(C3CC3)cnc2C2CC2)ccc1-c1ccc(N2CCC(O)CC2)nc1,YELKCVZQAHHOSP-UHFFFAOYSA-N
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-rxn:5:178314:227052:225448,Cc1ccc(OC2CCCC2)c(-c2ccc(-c3ccc(SC(C)(C)C)cc3)cc2O[Si](C)(C)C(C)(C)C)c1,MVHIDMXFZHAUPD-UHFFFAOYSA-N
-rxn:5:178314:227103:226069,CC(C)(C)[Si](C)(C)Oc1cc(-c2sccc2C2CCCCC2)ccc1-c1cccc(C2CCCCC2)c1,RJZURTBMLCVXCY-UHFFFAOYSA-N
-rxn:5:178314:227108:225453,CC(C)(C)[Si](C)(C)Oc1cc(-c2cc(C3CCC3)ccc2F)ccc1-c1cccc(SC2CCCCC2)c1,DISHQXMIDOJGHT-UHFFFAOYSA-N
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-rxn:5:178467:225849:227960,CCOC(=O)C1=Cc2cc(-c3ccncc3C3CCC3)cc(-c3cnc(N4CCCCC4)cc3F)c2OC1,RZWXOVHJBZBCFS-UHFFFAOYSA-N
-rxn:5:178467:225849:228964,CCOC(=O)C1=Cc2cc(-c3cnc(C(=O)OC)s3)cc(-c3cnc(N4CCCCC4)cc3F)c2OC1,VHGWUFNNTOZALA-UHFFFAOYSA-N
-rxn:5:178467:225976:228099,CCOC(=O)C1=Cc2cc(-c3cncc(N(C)CC)c3)cc(-c3ccnc(N4CCOCC4)c3F)c2OC1,KJBPYFMSJFDOMF-UHFFFAOYSA-N
-rxn:5:178467:225980:226959,CCOC(=O)C1=Cc2cc(-c3ccc4c(c3)CC(C)(C)O4)cc(-c3cc(N4CCOCC4)ncc3F)c2OC1,VDKLCHXFXPIJLA-UHFFFAOYSA-N
-rxn:5:178467:225982:228318,CCOC(=O)C1=Cc2cc(-c3cnccc3C(=O)OC)cc(-c3cnc(N4CCOCC4)cc3F)c2OC1,AOKFZLUQLAAXMF-UHFFFAOYSA-N
-rxn:5:178467:226320:223134,CCOC(=O)C1=Cc2cc(-c3cnccc3C3CCCNC3)cc(-c3cc(C4(C#N)CC4)ccc3F)c2OC1,QQNRPFNHIQFGBK-UHFFFAOYSA-N
-rxn:5:178467:226320:223136,CCOC(=O)C1=Cc2cc(-c3ccncc3C3CCCNC3)cc(-c3cc(C4(C#N)CC4)ccc3F)c2OC1,YBYQQQCHEPMUJZ-UHFFFAOYSA-N
-rxn:5:178467:226331:223135,CCOC(=O)C1=Cc2cc(-c3cccnc3C3CCCNC3)cc(-c3ccc(C4(C#N)CC4)cc3F)c2OC1,AYPKNZKEEYNGKL-UHFFFAOYSA-N
-rxn:5:178467:226794:227292,CCOC(=O)C1=Cc2cc(-c3ccc(F)c(CN(C)C)c3)cc(-c3cnc(N4CCSCC4)nc3)c2OC1,OZUYGVHYUYWHID-UHFFFAOYSA-N
-rxn:5:178467:227408:226366,CCOC(=O)C1=Cc2cc(-c3ccnc(N4CCCCC4)c3)cc(-c3cc(C4CCC4)ncc3F)c2OC1,FIKJJYNOLVGIDP-UHFFFAOYSA-N
-rxn:5:178467:227703:223132,CCOC(=O)C1=Cc2cc(-c3cccc(N4CCNCC4)c3)cc(-c3cnc(F)c(C(=O)OC)c3)c2OC1,JRLIVMDTHRLZJU-UHFFFAOYSA-N
-rxn:5:178467:228361:225784,CCOC(=O)C1=Cc2cc(-c3ccc(CN4CCOCC4)nc3)cc(-c3cc(N(C)C)ncc3F)c2OC1,FOLMWDDGDASDKM-UHFFFAOYSA-N
-rxn:5:179417:225805:225799,CCS(=O)(=O)c1ccc(-c2ccc(C(C)N3CCOCC3)s2)c(-c2cncc(OC3CCOCC3)c2)c1,OCNATOZZSSXBGP-UHFFFAOYSA-N
-rxn:5:180092:222990:223002,C[Si](C)(C)C#Cc1cc(-c2ccc(N3CCC(O)CC3)cc2)cc(-c2ccc(C3CCNCC3)cc2F)c1,VQDHNIIBUSYPJX-UHFFFAOYSA-N
-rxn:5:180267:225925:225450,CSc1cc(C(C)(C)C)cc(-c2cc(S(=O)(=O)N(C)C)ccc2C)c1-c1ccc(C(=O)C2CCCC2)cc1,NHMCBGWPGIIBEV-UHFFFAOYSA-N
-rxn:5:180297:225985:228016,COc1cc(-c2cccc(N3CCCS3(=O)=O)c2)c(C2(C)OCCO2)cc1-c1cc(C2CCCC2)cs1,WOJUWBRQYTZBIX-UHFFFAOYSA-N
-rxn:5:180377:223061:226662,CC(C)c1cc(-c2ccc(N3CCN(C)CC3)s2)cc(C(C)C)c1-c1cc(C2CCNCC2)ncc1F,XKRBMKAWTFVONB-UHFFFAOYSA-N
-rxn:5:180377:223062:226661,CC(C)c1cc(-c2cc(N3CCN(C)CC3)cs2)cc(C(C)C)c1-c1cnc(C2CCNCC2)cc1F,NZNQMHZAQGBSCA-UHFFFAOYSA-N
-rxn:5:180377:223062:226662,CC(C)c1cc(-c2ccc(N3CCN(C)CC3)s2)cc(C(C)C)c1-c1cnc(C2CCNCC2)cc1F,NPJWJIQSKFGPKD-UHFFFAOYSA-N
-rxn:5:180421:223006:227804,O=[N+]([O-])c1cc(-c2ccc(CC3CCCCC3)cc2-c2ccc(F)c(C3CCNCC3)c2)c([N+](=O)[O-])s1,RBTIYTCDSCPKTF-UHFFFAOYSA-N
-rxn:5:180421:226663:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(CC2CCCCC2)cc1-c1ccc(N2CCSCC2)nc1,DPYCBNDPCFHMEW-UHFFFAOYSA-N
-rxn:5:180422:225832:226457,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(CC2CCCCC2)cc1-c1ccc(C2CCOC2)c(F)c1,RGSUOFWYHQTZHY-UHFFFAOYSA-N
-rxn:5:180602:225976:226663,COC(=O)C1Cc2cc(-c3ccc(N4CCSCC4)nc3)cc(-c3ccnc(N4CCOCC4)c3F)c2O1,ZSDNHKUONPCRNB-UHFFFAOYSA-N
-rxn:5:180662:222980:227683,COC(=O)C1=Cc2cc(-c3ccc(C#N)cc3[N+](=O)[O-])cc(-c3ccc(CN4CCNCC4)cc3)c2OC1,DIQMYUFGXSUKSI-UHFFFAOYSA-N
-rxn:5:180662:223006:227770,COC(=O)C1=Cc2cc(-c3cnc(OC)c([N+](=O)[O-])c3)cc(-c3ccc(F)c(C4CCNCC4)c3)c2OC1,XQDXAVNQRRJBBN-UHFFFAOYSA-N
-rxn:5:180662:223138:226188,COC(=O)C1=Cc2cc(-c3cc(C)c([Si](C)(C)C)cc3C)cc(-c3ccnc(C4CCNCC4)c3)c2OC1,OZZJQWUAIQRWTR-UHFFFAOYSA-N
-rxn:5:180662:223139:226148,COC(=O)C1=Cc2cc(-c3cccc(C#C[Si](C)(C)C)c3)cc(-c3ccc(C4CCNCC4)nc3)c2OC1,YWHJIPBZTYDCRS-UHFFFAOYSA-N
-rxn:5:180662:223141:226148,COC(=O)C1=Cc2cc(-c3cccc(C#C[Si](C)(C)C)c3)cc(-c3cncc(C4CCNCC4)c3)c2OC1,XYWYURUTDWILTK-UHFFFAOYSA-N
-rxn:5:180662:223141:226188,COC(=O)C1=Cc2cc(-c3cc(C)c([Si](C)(C)C)cc3C)cc(-c3cncc(C4CCNCC4)c3)c2OC1,YKIOZDGGZBEYRT-UHFFFAOYSA-N
-rxn:5:180662:223294:223065,COC(=O)C1=Cc2cc(-c3ccc(N4CCNCC4)cc3F)cc(-c3csc(N4CCNCC4)n3)c2OC1,HXJQMVBHHVEWFS-UHFFFAOYSA-N
-rxn:5:180662:223294:225868,COC(=O)C1=Cc2cc(-c3ccc(N4CCOCC4)c(F)c3)cc(-c3csc(N4CCNCC4)n3)c2OC1,PIJCVVGGLGMCEI-UHFFFAOYSA-N
-rxn:5:180662:223294:225870,COC(=O)C1=Cc2cc(-c3cc(F)cc(N4CCOCC4)c3)cc(-c3csc(N4CCNCC4)n3)c2OC1,MYZWNTWRZWZHNK-UHFFFAOYSA-N
-rxn:5:180662:225601:223242,COC(=O)C1=Cc2cc(-c3ccnc(C4CCNC4)c3)cc(-c3ccc(C4(C#N)CCC4)cc3F)c2OC1,BYVYHKNUZCRJPB-UHFFFAOYSA-N
-rxn:5:180662:225831:227495,CCN(C)c1cc(-c2cc3c(c(-c4cnc(N5CCOCC5)c(C)c4)c2)OCC(C(=O)OC)=C3)c(F)cn1,ZEVMYTDVLPXRPX-UHFFFAOYSA-N
-rxn:5:180662:225868:223294,COC(=O)C1=Cc2cc(-c3csc(N4CCNCC4)n3)cc(-c3ccc(N4CCOCC4)c(F)c3)c2OC1,AQNXTGZAHYKFIV-UHFFFAOYSA-N
-rxn:5:180662:225870:223294,COC(=O)C1=Cc2cc(-c3csc(N4CCNCC4)n3)cc(-c3cc(F)cc(N4CCOCC4)c3)c2OC1,OQRPVLCZLFJQCD-UHFFFAOYSA-N
-rxn:5:180662:225879:226350,COC(=O)C1=Cc2cc(-c3ccc(C)c(C(=O)OC)c3C)cc(-c3ccc(N4CCOCC4)cc3F)c2OC1,QZNKPMBTZMCPEV-UHFFFAOYSA-N
-rxn:5:180662:225976:226663,COC(=O)C1=Cc2cc(-c3ccc(N4CCSCC4)nc3)cc(-c3ccnc(N4CCOCC4)c3F)c2OC1,OTOJIWNERNDMAX-UHFFFAOYSA-N
-rxn:5:180662:225982:226663,COC(=O)C1=Cc2cc(-c3ccc(N4CCSCC4)nc3)cc(-c3cnc(N4CCOCC4)cc3F)c2OC1,SXXLPQBHRMOTEU-UHFFFAOYSA-N
-rxn:5:180662:226148:223139,COC(=O)C1=Cc2cc(-c3ccc(C4CCNCC4)nc3)cc(-c3cccc(C#C[Si](C)(C)C)c3)c2OC1,QEUODQWAYLEMIH-UHFFFAOYSA-N
-rxn:5:180662:226148:223140,COC(=O)C1=Cc2cc(-c3ccnc(C4CCCNC4)c3)cc(-c3cccc(C#C[Si](C)(C)C)c3)c2OC1,UQGLKHWUBOVCHH-UHFFFAOYSA-N
-rxn:5:180662:226148:223141,COC(=O)C1=Cc2cc(-c3cncc(C4CCNCC4)c3)cc(-c3cccc(C#C[Si](C)(C)C)c3)c2OC1,POAYGTOKAJCISH-UHFFFAOYSA-N
-rxn:5:180662:226188:223138,COC(=O)C1=Cc2cc(-c3ccnc(C4CCNCC4)c3)cc(-c3cc(C)c([Si](C)(C)C)cc3C)c2OC1,ZFYWDVBCGUFYHT-UHFFFAOYSA-N
-rxn:5:180662:226663:225982,COC(=O)C1=Cc2cc(-c3cnc(N4CCOCC4)cc3F)cc(-c3ccc(N4CCSCC4)nc3)c2OC1,UNSYLEWTPCBVCX-UHFFFAOYSA-N
-rxn:5:180662:227386:226148,COC(=O)C1=Cc2cc(-c3cccc(C#C[Si](C)(C)C)c3)cc(-c3cnn(C4CCCCC4)c3)c2OC1,KZVSMLPWSHYNDR-UHFFFAOYSA-N
-rxn:5:180662:227568:225499,COC(=O)C1=Cc2cc(-c3ccc(C4CCCCC4)cc3F)cc(-c3c(F)cc(OC)cc3OC)c2OC1,ODVKCZQHOISOOG-UHFFFAOYSA-N
-rxn:5:181624:222994:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2cccc(N3CCC(O)CC3)c2)ccc1C1OCCO1,CGGZHNKCBNMZOV-UHFFFAOYSA-N
-rxn:5:181624:225832:223000,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(C2OCCO2)c(-c2ccc(C3CCCNC3)c(F)c2)c1,KZZLLAGELQYTHT-UHFFFAOYSA-N
-rxn:5:181626:225832:226330,Cc1nn(C2CCCCO2)c(C)c1-c1cccc(-c2ccc(C(C)N3CCCC3)s2)c1C1OCCO1,ZYOZEWUWTLKMIU-UHFFFAOYSA-N
-rxn:5:181628:225394:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2cc(C3CCC3)cc(C3CC3)c2)cc1C1OCCO1,JINQLZJPABZJIL-UHFFFAOYSA-N
-rxn:5:181628:225469:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2ccc(N3CCCC(C)C3)cc2)cc1C1OCCO1,AXNWSWDGHAORGO-UHFFFAOYSA-N
-rxn:5:181630:225832:225464,Cc1nn(C2CCCCO2)c(C)c1-c1cccc(C2OCCO2)c1-c1cccc(N2CCCC(C)C2)c1,XGZQMHMQBXOQMN-UHFFFAOYSA-N
-rxn:5:181630:225832:225654,Cc1nn(C2CCCCO2)c(C)c1-c1cccc(C2OCCO2)c1-c1ccc(N2CCCC(C)C2)nc1,LEZHBOHFVRTBRZ-UHFFFAOYSA-N
-rxn:5:181904:222958:222981,Cc1ccc(-c2ccc(C3OCCO3)c(C)c2-c2ccnc(NC3CCCCC3)c2)cc1C1CCNCC1,ZJMJGHPNVPSTOJ-UHFFFAOYSA-N
-rxn:5:181904:222958:225470,Cc1ccc(-c2ccc(C3OCCO3)c(C)c2-c2ccc(N3CCC(C)CC3)cc2)cc1C1CCNCC1,PPKUEYWIYHPWSV-UHFFFAOYSA-N
-rxn:5:181905:225451:225684,Cc1ccc(-c2ccc(C3CCOCC3)nc2C)c(C2OCCO2)c1-c1ccc(SC2CCCCC2)cc1,NKPPWQCSLHWPBJ-UHFFFAOYSA-N
-rxn:5:181905:225464:225656,Cc1ccc(-c2cncc(N3CCCCC3C)c2)c(C2OCCO2)c1-c1cccc(N2CCCC(C)C2)c1,DGYKHMCBUMMIOW-UHFFFAOYSA-N
-rxn:5:181905:225464:226686,Cc1ccc(-c2c(C)cnn2C2CCCCO2)c(C2OCCO2)c1-c1cccc(N2CCCC(C)C2)c1,NSOZIFLNQKMSDP-UHFFFAOYSA-N
-rxn:5:181905:225472:225683,Cc1ccc(-c2ccc(C3CCCOC3)nc2C)c(C2OCCO2)c1-c1cccc(N2CCCCC2C)c1,LFVARFSPEFJYAY-UHFFFAOYSA-N
-rxn:5:181905:225607:226452,Cc1ccc(-c2ccc(C3OCCCO3)cc2)c(C2OCCO2)c1-c1ccc(C(C)N2CCCCC2)s1,RWGPENTXRUFNBO-UHFFFAOYSA-N
-rxn:5:181906:225407:225464,Cc1ccc(-c2ccc(C3CCCCCC3)cc2)c(C2OCCO2)c1-c1cccc(N2CCCC(C)C2)c1,AABVKFDBXHYTBX-UHFFFAOYSA-N
-rxn:5:181906:225832:223139,Cc1ccc(-c2c(C)nn(C3CCCCO3)c2C)c(C2OCCO2)c1-c1ccc(C2CCNCC2)nc1,MNACXTHPGPFMOU-UHFFFAOYSA-N
-rxn:5:181907:225436:225683,Cc1cc(-c2ccc(CN3CCCCC3)cc2)c(-c2ccc(C3CCCOC3)nc2C)c(C2OCCO2)c1,OREGULUBRNGOFN-UHFFFAOYSA-N
-rxn:5:181907:225438:226571,Cc1cc(-c2ccc(C(C)N3CCCC3)cc2)c(-c2cnn(CC3CCOCC3)c2)c(C2OCCO2)c1,ZKPPPJSTSOEEOH-UHFFFAOYSA-N
-rxn:5:181907:225655:225653,Cc1cc(-c2cncc(N3CCC(C)CC3)c2)c(-c2ccc(N3CCCCC3C)nc2)c(C2OCCO2)c1,IPEUGPUVHRVROZ-UHFFFAOYSA-N
-rxn:5:181907:226146:225805,Cc1cc(-c2ccc(SC3CCCC3)cc2)c(-c2ccc(C(C)N3CCOCC3)s2)c(C2OCCO2)c1,UTHRCVCFZDVXNP-UHFFFAOYSA-N
-rxn:5:181907:226686:222994,Cc1cc(-c2c(C)cnn2C2CCCCO2)c(-c2cccc(N3CCC(O)CC3)c2)c(C2OCCO2)c1,CROIXNNWRNRTLO-UHFFFAOYSA-N
-rxn:5:181908:222980:222981,Cc1cc(-c2ccc(CN3CCNCC3)cc2)c(-c2ccnc(NC3CCCCC3)c2)cc1C1OCCO1,PZEXSNZBVHMYRY-UHFFFAOYSA-N
-rxn:5:181908:225438:222986,Cc1cc(-c2cc(C3OCCO3)c(C)cc2-c2ccc(C(C)N3CCCC3)cc2)cc(C2CCCNC2)n1,ZYSXTQACTOUGRG-UHFFFAOYSA-N
-rxn:5:181908:225439:225466,Cc1cc(-c2cccc(C(C)N3CCCC3)c2)c(-c2ccc(N3CCCCC3C)cc2)cc1C1OCCO1,LEYYFXHOVUNDBY-UHFFFAOYSA-N
-rxn:5:181908:225653:222990,Cc1cc(-c2ccc(N3CCCCC3C)nc2)c(-c2ccc(N3CCC(O)CC3)cc2)cc1C1OCCO1,FIXKFMUGQDDONH-UHFFFAOYSA-N
-rxn:5:181908:225655:225438,Cc1cc(-c2cncc(N3CCC(C)CC3)c2)c(-c2ccc(C(C)N3CCCC3)cc2)cc1C1OCCO1,REKIYSZOOMXNHN-UHFFFAOYSA-N
-rxn:5:181908:225655:225633,Cc1cc(-c2cncc(N3CCC(C)CC3)c2)c(-c2ccc(N3CCCCCC3)nc2)cc1C1OCCO1,XVLFPLHJJDUKGB-UHFFFAOYSA-N
-rxn:5:181908:225832:223135,Cc1cc(-c2c(C)nn(C3CCCCO3)c2C)c(-c2cccnc2C2CCCNC2)cc1C1OCCO1,AMFAJFWOXXOSMQ-UHFFFAOYSA-N
-rxn:5:181908:225832:223137,Cc1cc(-c2c(C)nn(C3CCCCO3)c2C)c(-c2cncc(C3CCCNC3)c2)cc1C1OCCO1,HBNCABBSYGZAII-UHFFFAOYSA-N
-rxn:5:182012:222960:225656,Cc1cc(-c2ccc(-c3cncc(N4CCCCC4C)c3)c(C3CCCOC3)c2)cc(C2CCNCC2)c1,UTLVRXZGWSDOCT-UHFFFAOYSA-N
-rxn:5:182012:222987:222958,Cc1ccc(-c2ccc(-c3ccc(C4CCNCC4)nc3C)cc2C2CCCOC2)cc1C1CCNCC1,FFGAZPSUFYNTGQ-UHFFFAOYSA-N
-rxn:5:182012:226428:222959,Cc1cc(-c2ccc(-c3cc(N4CCCCC4C)cs3)cc2C2CCCOC2)ccc1C1CCNCC1,HHCDDCUYVNDUOQ-UHFFFAOYSA-N
-rxn:5:182012:226686:225607,Cc1cnn(C2CCCCO2)c1-c1ccc(-c2ccc(C(C)N3CCCCC3)s2)c(C2CCCOC2)c1,ITBCWYNQJBFJJN-UHFFFAOYSA-N
-rxn:5:183062:225881:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2ccc(C3CCOCC3)nc2F)cc2c1OCCCO2,HSEAMHPGIRTLMP-UHFFFAOYSA-N
-rxn:5:183189:225832:223147,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2ccc(C3CNCCO3)cc2)cc2c1OC(C)(C)OC2,UFKCNXAYEQHIHG-UHFFFAOYSA-N
-rxn:5:183189:225832:225466,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2ccc(N3CCCCC3C)cc2)cc2c1OC(C)(C)OC2,CWRQOLQLZLKJLL-UHFFFAOYSA-N
-rxn:5:183228:223186:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2cnn(C3CCCCO3)c2)cc2c1OC(C)(C)CC2,XVYGRNICZDHHQC-UHFFFAOYSA-N
-rxn:5:188375:225943:225976,COC(=O)Cc1nc(-c2ccnc(N3CCOCC3)c2F)ccc1-c1ccc(C(=O)N2CCOCC2)s1,XMVNUKRNJCSWFJ-UHFFFAOYSA-N
-rxn:5:188381:225607:225833,CCOC(=O)c1ccc(-c2ccc(C(C)N3CCCCC3)s2)nc1-c1ccnc(N2CCCCC2)c1F,VQMFKGBTKRHSSQ-UHFFFAOYSA-N
-rxn:5:188389:225607:225833,CCOC(=O)c1cc(-c2ccc(C(C)N3CCCCC3)s2)ncc1-c1ccnc(N2CCCCC2)c1F,BNMAVUFBTGCHSR-UHFFFAOYSA-N
-rxn:5:188392:225607:225833,CCOC(=O)c1cnc(-c2ccnc(N3CCCCC3)c2F)cc1-c1ccc(C(C)N2CCCCC2)s1,JYARGGNEZZVNBX-UHFFFAOYSA-N
-rxn:5:188396:225607:225833,CCOC(=O)c1cc(-c2ccc(C(C)N3CCCCC3)s2)nc(-c2ccnc(N3CCCCC3)c2F)c1,GVQBRDMSPSHEMV-UHFFFAOYSA-N
-rxn:5:188633:225631:225849,COC(=O)c1c(-c2ccc(N3CCN(C)CC3)cc2)cnc(OC)c1-c1cnc(N2CCCCC2)cc1F,HVJFHJCANVSOIF-UHFFFAOYSA-N
-rxn:5:188930:223138:223134,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccnc(C3CCNCC3)c2)cc1-c1cnccc1C1CCCNC1,ZBONSVPQOVYWNZ-UHFFFAOYSA-N
-rxn:5:188930:227449:227449,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccc(C3CCOCC3)s2)cc1-c1ccc(C2CCOCC2)s1,KRPBSMPTQRFJIS-UHFFFAOYSA-N
-rxn:5:189001:223061:226583,COC(=O)C1(c2nc(-c3ccc(CN4CCOCC4)s3)ccc2-c2cc(C3CCNCC3)ncc2F)CC1,GXMQASLJSZEWLB-UHFFFAOYSA-N
-rxn:5:189001:225868:223065,COC(=O)C1(c2nc(-c3ccc(N4CCNCC4)cc3F)ccc2-c2ccc(N3CCOCC3)c(F)c2)CC1,ASLVFABXDXTNIY-UHFFFAOYSA-N
-rxn:5:189001:225870:223065,COC(=O)C1(c2nc(-c3ccc(N4CCNCC4)cc3F)ccc2-c2cc(F)cc(N3CCOCC3)c2)CC1,VBWJKTWGDOXFTD-UHFFFAOYSA-N
-rxn:5:189079:223061:226583,CCN(C)C(=O)c1ccc(-c2ccc(CN3CCOCC3)s2)c(-c2cc(C3CCNCC3)ncc2F)c1,PXNVAYMEPXOOIE-UHFFFAOYSA-N
-rxn:5:189209:226051:228513,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccccc2C2CC2)cc(-c2c(OC(F)(F)F)ccc(F)c2F)c1,DMSIGQYPQWVCLB-UHFFFAOYSA-N
-rxn:5:189210:227304:223064,Cc1cc(OC(C)C)ncc1-c1cccc(-c2ccc(C3CCNCC3)nc2F)c1C(=O)ON1C(=O)CCC1=O,YNWISSAYFMKNPA-UHFFFAOYSA-N
-rxn:5:189211:227385:225868,Cc1nc(C(C)(C)C)ncc1-c1cccc(C(=O)ON2C(=O)CCC2=O)c1-c1ccc(N2CCOCC2)c(F)c1,LCAWCVABTWKOPM-UHFFFAOYSA-N
-rxn:5:189212:226881:227040,COc1c(F)c(F)c(-c2cc(C(=O)ON3C(=O)CCC3=O)ccc2-c2cc(C)ccc2OC(C)C)c(F)c1F,JITFATJFGBLZKV-UHFFFAOYSA-N
-rxn:5:189319:225679:226794,CC(C)(C)OC(=O)c1nc(-c2cnc(N3CCSCC3)nc2)ccc1-c1ccc(N2CCCCC2)cc1F,AMZMCSGDCACKKT-UHFFFAOYSA-N
-rxn:5:189319:225834:226663,CC(C)(C)OC(=O)c1nc(-c2ccc(N3CCSCC3)nc2)ccc1-c1cc(N2CCCCC2)ncc1F,IEMNEDIARXZDAX-UHFFFAOYSA-N
-rxn:5:189319:226664:222990,CC(C)(C)OC(=O)c1nc(-c2ccc(N3CCC(O)CC3)cc2)ccc1-c1cc(N2CCCC2)ncc1F,BLJLHMGKFNNHHX-UHFFFAOYSA-N
-rxn:5:189320:225679:226663,CC(C)(C)OC(=O)c1cnc(-c2ccc(N3CCSCC3)nc2)c(-c2ccc(N3CCCCC3)cc2F)c1,STNOEBLNERZRDP-UHFFFAOYSA-N
-rxn:5:189321:223294:223065,CC(C)(C)OC(=O)c1nc(-c2csc(N3CCNCC3)n2)ccc1-c1ccc(N2CCNCC2)cc1F,MWDRMBVILDTKGL-UHFFFAOYSA-N
-rxn:5:189322:223144:225438,CC(c1ccc(-c2ncc(-c3ccc(N4CCC(O)C4)cc3)cc2C(=O)OC(C)(C)C)cc1)N1CCCC1,CUZCUZZTMLXBGP-UHFFFAOYSA-N
-rxn:5:189322:226794:225976,CC(C)(C)OC(=O)c1cc(-c2cnc(N3CCSCC3)nc2)cnc1-c1ccnc(N2CCOCC2)c1F,PDAZEPWPSTVNLQ-UHFFFAOYSA-N
-rxn:5:189323:223065:223294,CC(C)(C)OC(=O)c1cc(-c2csc(N3CCNCC3)n2)ncc1-c1ccc(N2CCNCC2)cc1F,LGVHJYQRRHLVCL-UHFFFAOYSA-N
-rxn:5:189323:225833:222994,CC(C)(C)OC(=O)c1cc(-c2cccc(N3CCC(O)CC3)c2)ncc1-c1ccnc(N2CCCCC2)c1F,KAKNODPGCNMSHA-UHFFFAOYSA-N
-rxn:5:189323:225833:226794,CC(C)(C)OC(=O)c1cc(-c2cnc(N3CCSCC3)nc2)ncc1-c1ccnc(N2CCCCC2)c1F,HUWZCXOQEWVTAC-UHFFFAOYSA-N
-rxn:5:189323:225834:226663,CC(C)(C)OC(=O)c1cc(-c2ccc(N3CCSCC3)nc2)ncc1-c1cc(N2CCCCC2)ncc1F,UJXWTOOKUPLVLJ-UHFFFAOYSA-N
-rxn:5:189323:225849:226663,CC(C)(C)OC(=O)c1cc(-c2ccc(N3CCSCC3)nc2)ncc1-c1cnc(N2CCCCC2)cc1F,NMQNFWROSUYFDY-UHFFFAOYSA-N
-rxn:5:189323:225872:226663,CC(C)(C)OC(=O)c1cc(-c2ccc(N3CCSCC3)nc2)ncc1-c1cc(F)c(F)c(N2CCCC2)c1,PRVMAADMSITKNZ-UHFFFAOYSA-N
-rxn:5:189323:226663:225872,CC(C)(C)OC(=O)c1cc(-c2cc(F)c(F)c(N3CCCC3)c2)ncc1-c1ccc(N2CCSCC2)nc1,STNKGQWEISBMDZ-UHFFFAOYSA-N
-rxn:5:189323:226664:223056,CC(C)(C)OC(=O)c1cc(-c2ccc(N3CCC(O)CC3)nc2)ncc1-c1cc(N2CCCC2)ncc1F,XNVIEYHIDUZHHG-UHFFFAOYSA-N
-rxn:5:189323:226679:223056,CC(C)(C)OC(=O)c1cc(-c2ccc(N3CCC(O)CC3)nc2)ncc1-c1cnc(N2CCCC2)cc1F,BKCQUDCMAPORHF-UHFFFAOYSA-N
-rxn:5:189334:222994:226664,CC(C)(C)OC(=O)c1ncc(-c2cccc(N3CCC(O)CC3)c2)cc1-c1cc(N2CCCC2)ncc1F,VLIFFUOKXZVGMC-UHFFFAOYSA-N
-rxn:5:189334:226663:223065,CC(C)(C)OC(=O)c1ncc(-c2ccc(N3CCSCC3)nc2)cc1-c1ccc(N2CCNCC2)cc1F,MSZPGDIMTOJHGN-UHFFFAOYSA-N
-rxn:5:189334:226663:225679,CC(C)(C)OC(=O)c1ncc(-c2ccc(N3CCSCC3)nc2)cc1-c1ccc(N2CCCCC2)cc1F,PTMVZQGDGDVWHO-UHFFFAOYSA-N
-rxn:5:189334:226663:225834,CC(C)(C)OC(=O)c1ncc(-c2ccc(N3CCSCC3)nc2)cc1-c1cc(N2CCCCC2)ncc1F,PTRPVTFUQXCGDA-UHFFFAOYSA-N
-rxn:5:189448:227519:222990,COC(=O)c1cc(C)c(-c2ccc(C(=O)N3CC(OC)C3)cc2-c2ccc(N3CCC(O)CC3)cc2)cn1,DJLCEXWGZIRXPY-UHFFFAOYSA-N
-rxn:5:189449:225976:223294,COC1CN(C(=O)c2cc(-c3csc(N4CCNCC4)n3)ccc2-c2ccnc(N3CCOCC3)c2F)C1,QLCWTOCSDZKBPK-UHFFFAOYSA-N
-rxn:5:189449:226794:225982,COC1CN(C(=O)c2cc(-c3cnc(N4CCOCC4)cc3F)ccc2-c2cnc(N3CCSCC3)nc2)C1,GDSQHEONCJTDSU-UHFFFAOYSA-N
-rxn:5:189449:226794:226412,COC1CN(C(=O)c2cc(-c3cc(F)cc(N4CCCC4)c3)ccc2-c2cnc(N3CCSCC3)nc2)C1,ATNHSLPDBQDFTO-UHFFFAOYSA-N
-rxn:5:189449:226794:226420,COC1CN(C(=O)c2cc(-c3ccc(F)c(N4CCCC4)c3)ccc2-c2cnc(N3CCSCC3)nc2)C1,FKJKXHTYXOOGSH-UHFFFAOYSA-N
-rxn:5:189449:226794:226422,COC1CN(C(=O)c2cc(-c3cc(F)ccc3N3CCCC3)ccc2-c2cnc(N3CCSCC3)nc2)C1,SCARDAGRHVFJAC-UHFFFAOYSA-N
-rxn:5:189538:223189:225499,CC(C)N(C)C(=O)c1ccc(-c2ccc(NS(C)(=O)=O)cc2F)c(-c2ccc(C3CCCCC3)cc2F)c1,NMHMKUXDLTUERW-UHFFFAOYSA-N
-rxn:5:189664:226133:227103,Cc1c(C#N)cc(C2CC2)cc1-c1ccc(CC(=O)N2CCCC2)c(-c2sccc2C2CCCCC2)c1,DIFBKOHLJFHDBU-UHFFFAOYSA-N
-rxn:5:189665:223062:227023,CC(c1ccc(-c2cc(-c3cnc(C4CCNCC4)cc3F)cnc2OCC2CCOCC2)cc1)N(C)C,JIBSXYJHHBQLHT-UHFFFAOYSA-N
-rxn:5:189666:226062:226058,CC(C)c1cc(-c2cc(/C=N/[S@](=O)C(C)(C)C)ccc2-c2c(C(C)C)cccc2C(C)C)cc(C(C)C)c1,KHWQVJXIYQPMSC-XVNZLDRSSA-N
-rxn:5:189666:226067:225407,CC(C)(C)[S@@](=O)/N=C/c1ccc(-c2ccc(C3CCCCCC3)cc2)c(-c2ccc(C3=CCCCC3)cc2)c1,HIEIHVMDMQMVQC-SFNAPTHNSA-N
-rxn:5:189673:225498:227052,CC(C)(C)Sc1ccc(-c2cc(-c3cc(C4CCCCC4)ccc3F)ccc2/C=N/S(=O)C(C)(C)C)cc1,JXOVACSESBYYGM-FADJLKOXSA-N
-rxn:5:189674:225407:225499,CC(C)(C)S(=O)/N=C/c1ccc(-c2ccc(C3CCCCC3)cc2F)cc1-c1ccc(C2CCCCCC2)cc1,IISPWLLEHLOCIM-XPGZBYHPSA-N
-rxn:5:189676:223062:226148,C[Si](C)(C)C#Cc1cccc(-c2ccc(CC(=O)N3CCCC3)cc2-c2cnc(C3CCNCC3)cc2F)c1,GVDZIXKKNHBHPN-UHFFFAOYSA-N
-rxn:5:189676:227592:225453,COc1cc(F)cc(-c2cc(CC(=O)N3CCCC3)ccc2-c2cccc(SC3CCCCC3)c2)c1OC,NGACDSNQFJMGHG-UHFFFAOYSA-N
-rxn:5:189827:222992:227277,CN(C)c1ccc(-c2ccc(CC(=O)N3CCOCC3)cc2-c2ccc(N3CCCCC3O)cc2)cc1C#N,BGGYXNRJTXPHPS-UHFFFAOYSA-N
-rxn:5:189827:226048:226851,COc1cc(-c2ccc(CC(=O)N3CCOCC3)cc2-c2c(F)ccc(F)c2OC(F)(F)F)c(C(F)(F)F)cn1,HKAYOHOGUIQRRA-UHFFFAOYSA-N
-rxn:5:189829:223143:223188,CNc1cc(C(F)(F)F)c(-c2cc(C(=O)N3CCCC3)cc(-c3cccc(N4CCC(O)C4)c3)c2OC)cn1,YMBONUVQUKJDNH-UHFFFAOYSA-N
-rxn:5:189829:223264:225576,CNC(=O)c1cc(-c2cc(C(=O)N3CCCC3)cc(-c3ccc(N4CCCC4)c(C#N)c3)c2OC)ccc1F,GAIDNNWKMFZZJF-UHFFFAOYSA-N
-rxn:5:189952:225980:227589,COc1c(-c2cc(C)cc(OC(F)F)c2)cc(C(=O)N2CCOCC2)cc1-c1cc(N2CCOCC2)ncc1F,BBLATKNCMHULNV-UHFFFAOYSA-N
-rxn:5:190000:223189:227045,CC(C)(C)Sc1cccc(-c2ccc(CC(=O)N3CCCCC3)c(-c3ccc(NS(C)(=O)=O)cc3F)c2)c1,LLVPGPMDHSCIOE-UHFFFAOYSA-N
-rxn:5:190000:225499:227045,CC(C)(C)Sc1cccc(-c2ccc(CC(=O)N3CCCCC3)c(-c3ccc(C4CCCCC4)cc3F)c2)c1,HKQLVUFWNKOFLS-UHFFFAOYSA-N
-rxn:5:190000:227045:226142,CC(C)(C)Sc1cccc(-c2cc(-c3cccc(OC4CCCC4)c3)ccc2CC(=O)N2CCCCC2)c1,ULUWGMSGZFXZSX-UHFFFAOYSA-N
-rxn:5:190000:227935:225407,CCc1cc(-c2cc(-c3ccc(C4CCCCCC4)cc3)ccc2CC(=O)N2CCCCC2)ccc1OC,YKACKPNLJXUISI-UHFFFAOYSA-N
-rxn:5:190001:227047:226152,COc1cc(C2CC2)cc(-c2ccc(CC(=O)N3CCCCC3)cc2-c2cccc(SC3CCC3)c2)c1C,AZDNLPMVPVCXFU-UHFFFAOYSA-N
-rxn:5:190127:223112:225976,COC1CCN(C(=O)c2cc(-c3c(C(C)C)ccc4[nH]ncc34)ccc2-c2ccnc(N3CCOCC3)c2F)CC1,XWXJEXRENRUGRI-UHFFFAOYSA-N
-rxn:5:190127:225453:228148,COc1cccc(-c2ccc(-c3cccc(SC4CCCCC4)c3)cc2C(=O)N2CCC(OC)CC2)c1OC,MKMOWEQYBBGQMH-UHFFFAOYSA-N
-rxn:5:190127:225453:228617,COc1cccc(C)c1-c1ccc(-c2cccc(SC3CCCCC3)c2)cc1C(=O)N1CCC(OC)CC1,CVEJKLCEUAYZEW-UHFFFAOYSA-N
-rxn:5:190127:227592:226919,COc1cc(F)cc(-c2ccc(-c3cccc(C4CCCC4)c3)c(C(=O)N3CCC(OC)CC3)c2)c1OC,WUMGNGDBMQAPGX-UHFFFAOYSA-N
-rxn:5:190127:227940:226142,CCc1cc(SC)cc(-c2ccc(-c3cccc(OC4CCCC4)c3)c(C(=O)N3CCC(OC)CC3)c2)c1,GYUUMFWPCPIMGU-UHFFFAOYSA-N
-rxn:5:190127:228681:226852,COc1ncc(-c2ccc(-c3ccnn3CC3CC3)cc2C(=O)N2CCC(OC)CC2)cc1C(F)(F)F,WOOLHAUCLGXORZ-UHFFFAOYSA-N
-rxn:5:190128:227045:227561,COc1cc(F)c(-c2cc(C(=O)N3CCC(OC)CC3)ccc2-c2cccc(SC(C)(C)C)c2)cc1OC,CAPLHODHORGCMR-UHFFFAOYSA-N
-rxn:5:190128:228821:223062,COC1CCN(C(=O)c2ccc(-c3ccc(C)c(F)c3F)c(-c3cnc(C4CCNCC4)cc3F)c2)CC1,RTOANDBOUFGXML-UHFFFAOYSA-N
-rxn:5:190128:228832:223062,COC1CCN(C(=O)c2ccc(-c3cc(C)cc(F)c3F)c(-c3cnc(C4CCNCC4)cc3F)c2)CC1,JRJMZILMGUYSIO-UHFFFAOYSA-N
-rxn:5:190131:226069:228154,COc1cccc(OC)c1-c1cc(C(=O)N2CCCCC2)cc(-c2cccc(C3CCCCC3)c2)c1OC,XVXDARIVHOXLOZ-UHFFFAOYSA-N
-rxn:5:190131:228177:226191,COCc1ccc(F)cc1-c1cc(C(=O)N2CCCCC2)cc(-c2cc(C3CCCC3)ccc2F)c1OC,QBQZAAUVJWRYGE-UHFFFAOYSA-N
-rxn:5:190132:223112:225976,COC1CCN(C(=O)c2ccc(-c3c(C(C)C)ccc4[nH]ncc34)cc2-c2ccnc(N3CCOCC3)c2F)CC1,HCKJEQTYGPFJRR-UHFFFAOYSA-N
-rxn:5:190132:228219:225598,COC1CCN(C(=O)c2ccc(-c3cnc(C(C)C)cc3F)cc2-c2cccc(CN3CCSCC3)c2)CC1,DSNAJDOXIWNPTG-UHFFFAOYSA-N
-rxn:5:190194:222417:225976,COC1CCN(Cc2cccc(-c3cnc(=O)[nH]c3C(C)C)c2-c2ccnc(N3CCOCC3)c2F)CC1,AAPVHMKQHRANEB-UHFFFAOYSA-N
-rxn:5:190194:222417:225982,COC1CCN(Cc2cccc(-c3cnc(=O)[nH]c3C(C)C)c2-c2cnc(N3CCOCC3)cc2F)CC1,QSHCZFGXKHTWBM-UHFFFAOYSA-N
-rxn:5:190194:223010:227836,COC1CCN(Cc2cccc(-c3ccc(C4(O)CCOCC4)cc3)c2-c2ccc(C)cc2C2CC2)CC1,TYOUHVBNJGKWLW-UHFFFAOYSA-N
-rxn:5:190194:223061:225508,COC1CCN(Cc2cccc(-c3cc(C4CCNCC4)ncc3F)c2-c2ccc3c(c2)c(C2CC2)nn3C)CC1,GZNRFSXSPBMIDU-UHFFFAOYSA-N
-rxn:5:190194:223062:225508,COC1CCN(Cc2cccc(-c3cnc(C4CCNCC4)cc3F)c2-c2ccc3c(c2)c(C2CC2)nn3C)CC1,DGFWLQBINQFVNY-UHFFFAOYSA-N
-rxn:5:190194:223062:227906,CCC(C)c1ncccc1-c1c(CN2CCC(OC)CC2)cccc1-c1cnc(C2CCNCC2)cc1F,PVYCAZCJGJIVNI-UHFFFAOYSA-N
-rxn:5:190194:223064:227907,CCC(C)c1cncc(-c2c(CN3CCC(OC)CC3)cccc2-c2ccc(C3CCNCC3)nc2F)c1,LBRDGOLMBRIUTH-UHFFFAOYSA-N
-rxn:5:190194:225451:226211,COC1CCN(Cc2cccc(-c3ccc(SC4CCCCC4)cc3)c2-c2ccc3c(c2)CCN3C(C)=O)CC1,LOYBWOPHKGTOOB-UHFFFAOYSA-N
-rxn:5:190194:225453:227935,CCc1cc(-c2c(CN3CCC(OC)CC3)cccc2-c2cccc(SC3CCCCC3)c2)ccc1OC,KKFGSGIKCSONTF-UHFFFAOYSA-N
-rxn:5:190194:226146:227054,COc1cc(-c2c(CN3CCC(OC)CC3)cccc2-c2ccc(SC3CCCC3)cc2)ccc1C1CC1,HZVHOHLEVRWQFX-UHFFFAOYSA-N
-rxn:5:190194:227077:223294,CCC(C)c1ccc(-c2cccc(CN3CCC(OC)CC3)c2-c2csc(N3CCNCC3)n2)c(F)c1,ZUUUBHDYOBIPJA-UHFFFAOYSA-N
-rxn:5:190194:227810:223062,CCC(C)c1ccc(-c2cccc(CN3CCC(OC)CC3)c2-c2cnc(C3CCNCC3)cc2F)cc1,QVTZXSFTMGDZSO-UHFFFAOYSA-N
-rxn:5:190194:227906:223061,CCC(C)c1ncccc1-c1cccc(CN2CCC(OC)CC2)c1-c1cc(C2CCNCC2)ncc1F,HEKCPRCOKXJTHG-UHFFFAOYSA-N
-rxn:5:190194:227906:223062,CCC(C)c1ncccc1-c1cccc(CN2CCC(OC)CC2)c1-c1cnc(C2CCNCC2)cc1F,WTSIRAUCYCUXJY-UHFFFAOYSA-N
-rxn:5:190194:227907:223061,CCC(C)c1cncc(-c2cccc(CN3CCC(OC)CC3)c2-c2cc(C3CCNCC3)ncc2F)c1,YKMISYUJRHZKCM-UHFFFAOYSA-N
-rxn:5:190194:227907:223064,CCC(C)c1cncc(-c2cccc(CN3CCC(OC)CC3)c2-c2ccc(C3CCNCC3)nc2F)c1,FGBHDKPBVYKHLH-UHFFFAOYSA-N
-rxn:5:190194:228397:225810,COc1ccc(-c2c(CN3CCC(OC)CC3)cccc2-c2cc(F)c(F)c(OC)c2)c(C2OCCO2)c1,YUFKAPYGOBFSTL-UHFFFAOYSA-N
-rxn:5:190194:228866:223062,COCc1noc(C)c1-c1cccc(CN2CCC(OC)CC2)c1-c1cnc(C2CCNCC2)cc1F,CVCSGZVLRIFCQO-UHFFFAOYSA-N
-rxn:5:190199:226583:223113,CN(Cc1cc(-c2ccc3c(c2)C(C)(C)C(=O)N3)ccc1-c1ccc(CN2CCOCC2)s1)C1CCOCC1,SBDSZFBVLOSPBP-UHFFFAOYSA-N
-rxn:5:190199:228871:223062,COC(=O)c1ccsc1-c1ccc(-c2cnc(C3CCNCC3)cc2F)cc1CN(C)C1CCOCC1,RBBBJRQDEIMPDR-UHFFFAOYSA-N
-rxn:5:190201:223135:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(-c2cccnc2C2CCCNC2)cc1CCN1CCOC(C)C1,GYBJPUKLWPOGRL-UHFFFAOYSA-N
-rxn:5:190201:228868:223062,COC(=O)c1ccc(-c2ccc(-c3cnc(C4CCNCC4)cc3F)c(CCN3CCOC(C)C3)c2)s1,CNZSMUZPLXWMNT-UHFFFAOYSA-N
-rxn:5:190201:228870:223062,COC(=O)c1csc(-c2ccc(-c3cnc(C4CCNCC4)cc3F)c(CCN3CCOC(C)C3)c2)c1,GVACYPWDLVAFOZ-UHFFFAOYSA-N
-rxn:5:190231:225980:228712,COc1c(-c2cc(N3CCOCC3)ncc2F)cc(C(=O)N2CCOC(C)C2)cc1-c1ccnn1C1CCC1,NKYJMMWLQXPSCQ-UHFFFAOYSA-N
-rxn:5:190264:226415:226346,Cc1cc(OC(C)C)c(F)c(-c2ccc(CC(=O)N3CCC(C)CC3)cc2-c2ccccc2N2CCOCC2)c1,REIWIGHJNHTGAK-UHFFFAOYSA-N
-rxn:5:190264:227045:227047,CC1CCN(C(=O)Cc2ccc(-c3cccc(SC4CCC4)c3)c(-c3cccc(SC(C)(C)C)c3)c2)CC1,XQYPXODIJTWMJI-UHFFFAOYSA-N
-rxn:5:190264:227337:227055,COc1ccc(-c2ccc(CC(=O)N3CCC(C)CC3)cc2-c2cc(F)ccc2OC(C)C)cc1C1CC1,WPHVIXXAJNWHAG-UHFFFAOYSA-N
-rxn:5:190264:228620:225407,CSc1ccc(-c2cc(CC(=O)N3CCC(C)CC3)ccc2-c2ccc(C3CCCCCC3)cc2)cc1C,QDMQHDSNYHNRIZ-UHFFFAOYSA-N
-rxn:5:190264:228869:223063,COC(=O)c1cc(-c2cc(CC(=O)N3CCC(C)CC3)ccc2-c2cc(F)nc(C3CCNCC3)c2)cs1,CQKDXPLUUCMYMQ-UHFFFAOYSA-N
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-rxn:5:190265:228588:225834,CC#Cc1cc(-c2cc(CC(=O)N3CCCC(C)C3)ccc2-c2cc(N3CCCCC3)ncc2F)ccn1,XOPPOWJPRUGCGY-UHFFFAOYSA-N
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-rxn:5:190299:226046:226085,COc1ccc(-c2ccnc(C(F)(F)C(F)(F)F)c2)cc1C=C1SC(=O)N(c2ccc(-c3ccc4c(c3)CCC(C)(C)O4)cc2)C1=O,OOXJCMMXWRKCIC-UHFFFAOYSA-N
-rxn:5:190307:222988:226737,Cc1cc(-c2ccc(-c3ccc(C(F)(F)F)c(C#N)c3)c(CCN3CCC(C)CC3)c2)cc(C2CCNCC2)n1,VAOFOSLXDJTKFY-UHFFFAOYSA-N
-rxn:5:190335:226190:227933,CCc1ccc(OC)cc1-c1cc(C(=O)N2CCCCC2C)cc(-c2ccc(C3CCCC3)cc2F)c1OC,JLDDNKBZKWGTOM-UHFFFAOYSA-N
-rxn:5:190335:226870:227376,COc1c(-c2cncc(N3CCCC3)c2)cc(C(=O)N2CCCCC2C)cc1-c1ccc(F)c(OC(F)(F)F)c1,QMUBCDFHBQITBU-UHFFFAOYSA-N
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-rxn:5:190337:227094:227752,COc1c(-c2ccc(C(F)(F)F)cc2F)cc(C(=O)N2CCC(C)CC2)cc1-c1cnccc1C1CCCC1,FHHQZNSIJHJSSD-UHFFFAOYSA-N
-rxn:5:190459:225456:225886,CN1CCC(c2ccc(-c3ccccc3C(=O)N3CCSC(c4ccccc4-c4ccc5c(ccn5S(C)(=O)=O)c4)CC3)cc2)CC1,BBIUYHCRMKWFED-UHFFFAOYSA-N
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-rxn:5:190484:226059:227103,CC(C)c1ccc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4sccc4C4CCCCC4)S(=O)(=O)CC3)c2)c(C(C)C)c1,MYNXBYHZLURGRJ-UHFFFAOYSA-N
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-rxn:5:190484:228119:227124,CC(C)Sc1ccc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4ccc(C(C)(C)C)cc4F)S(=O)(=O)CC3)c2)cn1,DEIUZKSKDXBBQM-UHFFFAOYSA-N
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-rxn:5:190742:225784:225672,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(CN4CCOCC4)nc3)c2c1-c1cc(F)nc(C2CCCCC2)c1,OOTOMJGVLJWULU-UHFFFAOYSA-N
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-rxn:5:190743:225805:225671,CCOC(=O)c1cnc2c(C)c(-c3ccc(C(C)N4CCOCC4)s3)ccc2c1-c1cc(C2CCCCC2)ncc1F,PAIPLSCXHCDBNL-UHFFFAOYSA-N
-rxn:5:190743:225806:225672,CCOC(=O)c1cnc2c(C)c(-c3cnc(OC4CCCC4)cc3F)ccc2c1-c1cc(F)nc(C2CCCCC2)c1,WMOXXGZGXCPVSI-UHFFFAOYSA-N
-rxn:5:190743:225834:225982,CCOC(=O)c1cnc2c(C)c(-c3cc(N4CCCCC4)ncc3F)ccc2c1-c1cnc(N2CCOCC2)cc1F,HSJYIWLRJPFTKP-UHFFFAOYSA-N
-rxn:5:190743:225881:223006,CCOC(=O)c1cnc2c(C)c(-c3ccc(C4CCOCC4)nc3F)ccc2c1-c1ccc(F)c(C2CCNCC2)c1,YBROSKMIWQRZLS-UHFFFAOYSA-N
-rxn:5:190743:225982:225978,CCOC(=O)c1cnc2c(C)c(-c3cnc(N4CCOCC4)cc3F)ccc2c1-c1ccc(N2CCOCC2)nc1F,WZECXTCARAOHJK-UHFFFAOYSA-N
-rxn:5:190744:223062:225833,CCOC(=O)c1cnc2c(-c3cnc(C4CCNCC4)cc3F)c(C)ccc2c1-c1ccnc(N2CCCCC2)c1F,STDQNCBYBJDPKS-UHFFFAOYSA-N
-rxn:5:190744:225636:225849,CCOC(=O)c1cnc2c(-c3ccnc(N4CCC(C)CC4)c3)c(C)ccc2c1-c1cnc(N2CCCCC2)cc1F,COUGVAINSDLXKG-UHFFFAOYSA-N
-rxn:5:190744:225794:225671,CCOC(=O)c1cnc2c(-c3cnc(OC4CCCCC4)nc3)c(C)ccc2c1-c1cc(C2CCCCC2)ncc1F,JSRGTUSHCFXOMG-UHFFFAOYSA-N
-rxn:5:190744:225980:225655,CCOC(=O)c1cnc2c(-c3cc(N4CCOCC4)ncc3F)c(C)ccc2c1-c1cncc(N2CCC(C)CC2)c1,DXTZVPVBCKYCHO-UHFFFAOYSA-N
-rxn:5:190795:223002:223139,CC(C)(C)OC(=O)n1cc(-c2ccc(C3CCNCC3)cc2F)c2ccc(-c3ccc(C4CCNCC4)nc3)cc21,RIATVRQITOHFSC-UHFFFAOYSA-N
-rxn:5:190795:223004:223139,CC(C)(C)OC(=O)n1cc(-c2ccc(C3CCNCC3)c(F)c2)c2ccc(-c3ccc(C4CCNCC4)nc3)cc21,QVMILAPLHRSRGG-UHFFFAOYSA-N
-rxn:5:190795:226146:225451,CC(C)(C)OC(=O)n1cc(-c2ccc(SC3CCCC3)cc2)c2ccc(-c3ccc(SC4CCCCC4)cc3)cc21,QYZKBSRHMIGYAM-UHFFFAOYSA-N
-rxn:5:190795:226150:225407,CC(C)(C)OC(=O)n1cc(-c2cccc(SC3CCCC3)c2)c2ccc(-c3ccc(C4CCCCCC4)cc3)cc21,MXWATZDFVLMGMW-UHFFFAOYSA-N
-rxn:5:190796:223002:223139,CC(C)(C)OC(=O)n1cc(-c2ccc(C3CCNCC3)cc2F)c2c(-c3ccc(C4CCNCC4)nc3)cccc21,MHSDCMAEJORBTJ-UHFFFAOYSA-N
-rxn:5:190796:223061:223186,CC(C)(C)OC(=O)n1cc(-c2cc(C3CCNCC3)ncc2F)c2c(-c3cnn(C4CCCCO4)c3)cccc21,ONUSUKNVFAGFGD-UHFFFAOYSA-N
-rxn:5:190796:223062:223147,CC(C)(C)OC(=O)n1cc(-c2cnc(C3CCNCC3)cc2F)c2c(-c3ccc(C4CNCCO4)cc3)cccc21,DOMOLBBQSHQQDG-UHFFFAOYSA-N
-rxn:5:190797:223063:223186,CC(C)(C)OC(=O)n1ccc2c(-c3cnn(C4CCCCO4)c3)cc(-c3cc(F)nc(C4CCNCC4)c3)cc21,WLXGMUMVHHKYAY-UHFFFAOYSA-N
-rxn:5:190798:223002:223139,CC(C)(C)OC(=O)n1cc(-c2ccc(C3CCNCC3)cc2F)c2cc(-c3ccc(C4CCNCC4)nc3)ccc21,GOYZNJAUAKDNHW-UHFFFAOYSA-N
-rxn:5:190798:223007:223186,CC(C)(C)OC(=O)n1cc(-c2cc(F)cc(C3CCNCC3)c2)c2cc(-c3cnn(C4CCCCO4)c3)ccc21,AIVXHMGAJVCHAA-UHFFFAOYSA-N
-rxn:5:190798:223062:223147,CC(C)(C)OC(=O)n1cc(-c2cnc(C3CCNCC3)cc2F)c2cc(-c3ccc(C4CNCCO4)cc3)ccc21,GJVOGUPDTWYBIL-UHFFFAOYSA-N
-rxn:5:190799:223061:223147,CC(C)(C)OC(=O)n1ccc2c(-c3cc(C4CCNCC4)ncc3F)c(-c3ccc(C4CNCCO4)cc3)ccc21,OHQWGEYIQDAVBW-UHFFFAOYSA-N
-rxn:5:190832:223008:223139,CCOC(=O)c1cnc2cc(C)c(-c3cc(C4CCNCC4)ccc3F)c(C)c2c1-c1ccc(C2CCNCC2)nc1,UKNCNDXJELSFEQ-UHFFFAOYSA-N
-rxn:5:190832:225834:225674,CCOC(=O)c1cnc2cc(C)c(-c3cc(N4CCCCC4)ncc3F)c(C)c2c1-c1cnc(C2CCCCC2)cc1F,KQQNSGWZTYMLPG-UHFFFAOYSA-N
-rxn:5:190859:223065:223139,CC(C)(C)OC(=O)N1CCc2c1ccc(-c1ccc(N3CCNCC3)cc1F)c2-c1ccc(C2CCNCC2)nc1,BJCBKGHALZESAG-UHFFFAOYSA-N
-rxn:5:190859:226794:225833,CC(C)(C)OC(=O)N1CCc2c1ccc(-c1cnc(N3CCSCC3)nc1)c2-c1ccnc(N2CCCCC2)c1F,LHZVWNNQKRLELV-UHFFFAOYSA-N
-rxn:5:190859:226794:226679,CC(C)(C)OC(=O)N1CCc2c1ccc(-c1cnc(N3CCSCC3)nc1)c2-c1cnc(N2CCCC2)cc1F,ROAPMUMHEVHMNX-UHFFFAOYSA-N
-rxn:5:190859:226917:227052,Cc1cc(-c2ccc3c(c2-c2ccc(SC(C)(C)C)cc2)CCN3C(=O)OC(C)(C)C)cc(C(C)(C)C)c1,MTMUENDDNXUZKR-UHFFFAOYSA-N
-rxn:5:190859:227936:225453,CC(C)(C)OC(=O)N1CCc2c1ccc(-c1cccc(SC3CC3)c1)c2-c1cccc(SC2CCCCC2)c1,KZJYIFDLDUAHNL-UHFFFAOYSA-N
-rxn:5:190859:228005:225450,CSc1cc(C)c(-c2ccc3c(c2-c2ccc(C(=O)C4CCCC4)cc2)CCN3C(=O)OC(C)(C)C)cc1C,XIKIAYHVQQQTBU-UHFFFAOYSA-N
-rxn:5:190993:225655:225881,CC1CCN(c2cncc(-c3ccc4c(c3)CN(CCc3ccc(-c5ccc(C6CCOCC6)nc5F)cc3)C(=O)CO4)c2)CC1,HPHMZGQGMOGBBJ-UHFFFAOYSA-N
-rxn:5:191026:223063:223139,COC(=O)C1=CN(c2ccc(C)c(-c3ccc(C4CCNCC4)nc3)c2)c2cc(-c3cc(F)nc(C4CCNCC4)c3)ccc2S1(=O)=O,NUBSWULJPXQOHD-UHFFFAOYSA-N
-rxn:5:191026:227076:226918,CCC(C)c1ccc(F)c(-c2ccc3c(c2)N(c2ccc(C)c(-c4ccc(C5=CCCC5)cc4)c2)C=C(C(=O)OC)S3(=O)=O)c1,IXODIBOOKXLVIN-UHFFFAOYSA-N
-rxn:5:191026:227076:227937,CCC(C)c1ccc(F)c(-c2ccc3c(c2)N(c2ccc(C)c(-c4cccc(SC(C)C)c4)c2)C=C(C(=O)OC)S3(=O)=O)c1,PGGIWFZXOSKNMB-UHFFFAOYSA-N
-rxn:5:191026:227833:225407,CCc1cc(C)cc(C)c1-c1ccc2c(c1)N(c1ccc(C)c(-c3ccc(C4CCCCCC4)cc3)c1)C=C(C(=O)OC)S2(=O)=O,STTWGVIPWWGUEV-UHFFFAOYSA-N
-rxn:5:191026:227935:225407,CCc1cc(-c2ccc3c(c2)N(c2ccc(C)c(-c4ccc(C5CCCCCC5)cc4)c2)C=C(C(=O)OC)S3(=O)=O)ccc1OC,WNCDBOIJSJTIGW-UHFFFAOYSA-N
-rxn:5:191026:227989:226064,CC#Cc1ccc(F)c(-c2ccc3c(c2)N(c2ccc(C)c(-c4ccc(C5CCCCC5)cc4)c2)C=C(C(=O)OC)S3(=O)=O)c1,CQQKXBNFQHRZCQ-UHFFFAOYSA-N
-rxn:5:191026:227989:226069,CC#Cc1ccc(F)c(-c2ccc3c(c2)N(c2ccc(C)c(-c4cccc(C5CCCCC5)c4)c2)C=C(C(=O)OC)S3(=O)=O)c1,VULOXULMOGWQLU-UHFFFAOYSA-N
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-rxn:5:191049:227922:225453,CCc1cc(OC)ccc1-c1ccc2c(c1)CN(c1cc(OC)c(-c3cccc(SC4CCCCC4)c3)cc1OC)C(=O)CO2,WIMHAOOAJNUYQW-UHFFFAOYSA-N
-rxn:5:191049:227932:225407,COCc1ccc(C)c(-c2ccc3c(c2)CN(c2cc(OC)c(-c4ccc(C5CCCCCC5)cc4)cc2OC)C(=O)CO3)c1,JDJUPYPXRQMDIA-UHFFFAOYSA-N
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-rxn:5:192565:226035:225944,COc1ccc(C(F)(F)F)c(F)c1-c1ccc(C2(C#N)CCC2)c(-c2c(F)cc(F)c(OC(C)C)c2F)c1,RZNMFIXZULUAAN-UHFFFAOYSA-N
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-rxn:5:193054:226148:223062,C[Si](C)(C)C#Cc1cccc(-c2cccc(C(=O)N3CCCC3)c2-c2cnc(C3CCNCC3)cc2F)c1,VPRKFQMVAMSOSV-UHFFFAOYSA-N
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-rxn:5:193382:223061:223200,O=S(=O)(c1ccc(-c2cc(C3CCNCC3)ncc2F)cc1-c1ccc(C2CCNC2)cc1)N1CCOCC1,WMSUFJCCCVSKCA-UHFFFAOYSA-N
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-rxn:5:193460:226145:223131,O=C(c1cccc(-c2ccc(OC3CCCC3)cc2)c1-c1ccc(N2CCNCC2)cc1)N1CCCCC1,XFOAVYDTSNCLQG-UHFFFAOYSA-N
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-rxn:5:193506:223142:223054,CC(c1ccc(-c2cc(-c3ccc(C4CCCNC4)nc3)ccc2S(=O)(=O)N2CCC(=O)CC2)s1)N1CCC(O)C1,YFHYPKFDXZXLHC-UHFFFAOYSA-N
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-rxn:5:193506:228868:222958,COC(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3ccc(C)c(C4CCNCC4)c3)c2)s1,FAHOKCPRSPRPJT-UHFFFAOYSA-N
-rxn:5:193540:226686:226382,Cc1cnn(C2CCCCO2)c1-c1ccc(CN2CCCCC2)c(-c2cnc(C3CCCCC3)nc2)c1,JIAZFEHPHGRFHU-UHFFFAOYSA-N
-rxn:5:193542:226067:226686,Cc1cnn(C2CCCCO2)c1-c1c(CN2CCCCC2)cccc1-c1ccc(C2=CCCCC2)cc1,HJVWZXODFYNYOT-UHFFFAOYSA-N
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-rxn:5:193681:225465:226870,CN1CCC(Oc2cc(-c3cccc(C4CCN(C)CC4)c3)ccc2-c2ccc(F)c(OC(F)(F)F)c2)CC1,RWWLXAOHLOKUGB-UHFFFAOYSA-N
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-rxn:5:193750:225886:225499,CC1CCN(C(=O)c2cc(-c3ccc4c(ccn4S(C)(=O)=O)c3)ccc2-c2ccc(C3CCCCC3)cc2F)CC1,INMYQNFLVFXYPA-UHFFFAOYSA-N
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-rxn:5:193756:225591:226438,CC1CCCCN1C(=O)c1ccc(-c2cc(CN3CCCC3)ccc2F)cc1-c1cnc(C2CCCC2)cc1F,RUUZZVWXCSKBSV-UHFFFAOYSA-N
-rxn:5:193756:225636:225849,CC1CCN(c2cc(-c3ccc(C(=O)N4CCCCC4C)c(-c4cnc(N5CCCCC5)cc4F)c3)ccn2)CC1,HBJAULTYPYQKBI-UHFFFAOYSA-N
-rxn:5:193756:225641:227408,CC1CCCN(c2cc(-c3ccc(C(=O)N4CCCCC4C)c(-c4cc(C5CCC5)ncc4F)c3)ccn2)C1,LHVIZXKTPVFMLB-UHFFFAOYSA-N
-rxn:5:193756:227086:222981,CC1CCCCN1C(=O)c1ccc(-c2ccnc(C3CCCC3)c2)cc1-c1ccnc(NC2CCCCC2)c1,YDHWCDQMNOAGQL-UHFFFAOYSA-N
-rxn:5:193807:226176:226064,CC1CCN(Cc2cccc(-c3ccc(C4CCCCC4)cc3)c2-c2ccncc2C2CCCCC2)CC1,MYWGZJFSLPJZCL-UHFFFAOYSA-N
-rxn:5:193809:226197:226059,CC1CCN(Cc2ccc(-c3ccc(C4CCCOC4)cc3)cc2-c2ccc(C(C)C)cc2C(C)C)CC1,RHKNFCWZGNKVJX-UHFFFAOYSA-N
-rxn:5:193866:225498:228148,COc1cccc(-c2cc(C3(N4CCC(=O)CC4)CC3)ccc2-c2cc(C3CCCCC3)ccc2F)c1OC,CTMYMNMHNOOAOT-UHFFFAOYSA-N
-rxn:5:193866:225886:225439,CC(c1cccc(-c2cc(C3(N4CCC(=O)CC4)CC3)ccc2-c2ccc3c(ccn3S(C)(=O)=O)c2)c1)N1CCCC1,VRFIISBNJWASKK-UHFFFAOYSA-N
-rxn:5:193866:227052:227059,COc1ccc(-c2cc(C3(N4CCC(=O)CC4)CC3)ccc2-c2ccc(SC(C)(C)C)cc2)cc1C(C)C,JZCXFBWIZYVEOR-UHFFFAOYSA-N
-rxn:5:193867:226069:228003,CSc1cc(C)c(-c2cc(-c3cccc(C4CCCCC4)c3)cc(C3(N4CCC(=O)CC4)CC3)c2)c(C)c1,NVCBSQHQXHRVLT-UHFFFAOYSA-N
-rxn:5:193867:227546:226794,COC(=O)c1cccc(-c2cc(-c3cnc(N4CCSCC4)nc3)cc(C3(N4CCC(=O)CC4)CC3)c2)c1F,BGAOXXXLSUHVBY-UHFFFAOYSA-N
-rxn:5:193869:225466:228276,COc1c(-c2cc(S(=O)(=O)N3CCCCC3)c(-c3ccc(N4CCCCC4C)cc3)cc2C)ccc(F)c1C,XXWMVHQOAFGZRE-UHFFFAOYSA-N
-rxn:5:193869:226064:225886,Cc1cc(-c2ccc(C3CCCCC3)cc2)c(S(=O)(=O)N2CCCCC2)cc1-c1ccc2c(ccn2S(C)(=O)=O)c1,SNWVKSIKLUSUIC-UHFFFAOYSA-N
-rxn:5:193869:227120:227052,Cc1cc(-c2ccc(C3CCC3)cc2F)c(S(=O)(=O)N2CCCCC2)cc1-c1ccc(SC(C)(C)C)cc1,FGIZGZBMQPLPMR-UHFFFAOYSA-N
-rxn:5:193869:229169:225450,Cc1cc(-c2cscc2C(F)F)c(S(=O)(=O)N2CCCCC2)cc1-c1ccc(C(=O)C2CCCC2)cc1,HAWNIWJEXCOOFX-UHFFFAOYSA-N
-rxn:5:193870:225456:223242,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2ccnc(C3CCNC3)c2)cc1-c1ccc(C2CCN(C)CC2)cc1,DZJACNPSJRWFTN-UHFFFAOYSA-N
-rxn:5:193870:227528:226794,COC(=O)c1ccc(-c2cc(-c3cnc(N4CCSCC4)nc3)c(S(=O)(=O)N3CCCCC3)cc2C)cc1F,HMEDCOXTUDCLJC-UHFFFAOYSA-N
-rxn:5:193870:227574:223145,COc1c(F)ccc(-c2cc(-c3ccc(C4CCC(=O)N4)cc3)c(S(=O)(=O)N3CCCCC3)cc2C)c1OC,RYVQSROUWWKJDU-UHFFFAOYSA-N
-rxn:5:193871:223286:227079,CC(C)Cc1ccc(F)c(-c2ccc(C(=O)N3CCC4(CC3)CC4)cc2-c2cccc(NS(C)(=O)=O)c2)c1,LOTGJMPPVMIPRP-UHFFFAOYSA-N
-rxn:5:193871:226215:228177,COCc1ccc(F)cc1-c1ccc(C(=O)N2CCC3(CC2)CC3)cc1-c1ccc2c(c1)CC/C2=N\OC,USEBQGRETDESIJ-VBMGMRCRSA-N
-rxn:5:193871:226215:228181,COCc1cc(F)ccc1-c1ccc(C(=O)N2CCC3(CC2)CC3)cc1-c1ccc2c(c1)CC/C2=N\OC,XDACUQPGZFBQDN-VBMGMRCRSA-N
-rxn:5:193871:227545:226794,CCOc1ccc(F)c(-c2cc(C(=O)N3CCC4(CC3)CC4)ccc2-c2cnc(N3CCSCC3)nc2)c1F,KBJXDRCQFRRENT-UHFFFAOYSA-N
-rxn:5:193872:225886:226603,COC(=O)c1cc(F)c(C)c(-c2cc(C(=O)N3CCC4(CC3)CC4)ccc2-c2ccc3c(ccn3S(C)(=O)=O)c2)c1,FMHPLFHUXMHSNW-UHFFFAOYSA-N
-rxn:5:193872:227536:226794,CCOc1cc(-c2ccc(C(=O)N3CCC4(CC3)CC4)cc2-c2cnc(N3CCSCC3)nc2)c(F)cc1F,HWAABTOMUAXGDY-UHFFFAOYSA-N
-rxn:5:193892:226438:222986,Cc1cc(-c2ccc(C3SCC(=O)N(c4ccc(-c5cnc(C6CCCC6)cc5F)cc4)C3=O)cc2)cc(C2CCCNC2)n1,FYMDKEYBGACXHJ-UHFFFAOYSA-N
-rxn:5:193912:225814:226060,O=C1CS(=O)C(c2ccc(-c3cc(C4CC4)cc(C4CC4)c3)cc2)C(=O)N1c1ccc(-c2cccc(C3(C(F)(F)F)CC3)c2)cc1,XZJLIXGJJSHWEK-UHFFFAOYSA-N
-rxn:5:193932:226366:227302,Cc1cc(-c2ccc(C(=O)N3CC(C)CC(C)C3)cc2-c2ccnc(N3CCCCC3)c2)cnc1OC(C)C,HEMWWSKKKPKFIU-UHFFFAOYSA-N
-rxn:5:193967:225456:223243,COc1cc2cn[nH]c2cc1-c1cc(-c2ccc(C3CCN(C)CC3)cc2)ccc1CN1CCC2(CC1)OCCO2,BKZFJOSTNSZOSJ-UHFFFAOYSA-N
-rxn:5:193968:226046:227746,Fc1c(-c2ccc(-c3ccnc(C(F)(F)C(F)(F)F)c3)cc2CN2CCC3(CC2)OCCO3)cccc1C(F)(F)F,QFJAKMMVAHRRNM-UHFFFAOYSA-N
-rxn:5:193972:223146:223147,Cc1cc(-c2cccc(C3CNCCO3)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc(C2CNCCO2)cc1,VUOLWUDVJVRXIM-UHFFFAOYSA-N
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-rxn:5:193972:226060:225886,Cc1cc(-c2cc(C3CC3)cc(C3CC3)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc2c(ccn2S(C)(=O)=O)c1,UWEPGLSLBJLJQF-UHFFFAOYSA-N
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-rxn:5:193972:228800:226762,CSc1cc(-c2cc(S(=O)(=O)N3CCCCCC3)c(-c3cc(F)ccc3SC)cc2C)cc(C(F)(F)F)c1,UOYMHWCPNGOLDF-UHFFFAOYSA-N
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-rxn:5:196858:222956:222959,Cc1ccc(-c2cnc(C3CCOCC3)cc2-c2ccc(C3CCNCC3)c(C)c2)c(C2CCCNC2)c1,LPWNDYWLRBPOAK-UHFFFAOYSA-N
-rxn:5:196859:226686:225638,Cc1cnn(C2CCCCO2)c1-c1c(C2CCOCC2)ccnc1-c1ccc(N2CCC(C)CC2)nc1,RXKIZYRKZGITGL-UHFFFAOYSA-N
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-rxn:5:196872:223004:225591,Fc1ccc(CN2CCCC2)cc1-c1ccc(N2CCOCC2)c(-c2ccc(C3CCNCC3)c(F)c2)c1,DLXOJAIUXKFYHN-UHFFFAOYSA-N
-rxn:5:196917:223294:225804,CC1(C)COC(c2cc(-c3ccc(C(=O)N4CCC4)c(F)c3)ccc2-c2csc(N3CCNCC3)n2)=N1,LUPWVFPWAMKFBQ-UHFFFAOYSA-N
-rxn:5:196923:226901:225591,O=C1CCCCN1c1ccc(-c2cccc(S(F)(F)(F)(F)F)c2)c(-c2cc(CN3CCCC3)ccc2F)c1,WYGOTSBUVLXENI-UHFFFAOYSA-N
-rxn:5:196970:226686:225581,Cc1cnn(C2CCCCO2)c1-c1c(C2CCCCC2)ccnc1-c1ccc(CN2CCOCC2)cc1,OYUOSRQLIKYZQW-UHFFFAOYSA-N
-rxn:5:196971:225466:226686,Cc1cnn(C2CCCCO2)c1-c1cc(-c2ccc(N3CCCCC3C)cc2)ncc1C1CCCCC1,YQOYOINSWFROCN-UHFFFAOYSA-N
-rxn:5:196971:225814:225924,Cc1cc(S(=O)(=O)N(C)C)ccc1-c1cc(-c2cccc(C3(C(F)(F)F)CC3)c2)ncc1C1CCCCC1,XDEPZEFDZDGWNS-UHFFFAOYSA-N
-rxn:5:196971:227403:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2ccc(N3CCCCC3)s2)ncc1C1CCCCC1,FFZDMGPFGGDLGI-UHFFFAOYSA-N
-rxn:5:196977:227611:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(N2CCCCC2)ccc1-c1ccnn1C1CCCCO1,WNEZZPDNMJTWLT-UHFFFAOYSA-N
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-rxn:5:197876:225395:227824,CC(C)(C)c1cc(-c2cc3c(cc2-c2ccc(C4CCC4)cc2)C(=O)N(C(C)(C)C)S3(=O)=O)cc(C2CC2)c1,PZPTYFXKMVFPII-UHFFFAOYSA-N
-rxn:5:197876:225439:228344,CC(c1cccc(-c2cc3c(cc2-c2ccc(SC(F)F)cc2)C(=O)N(C(C)(C)C)S3(=O)=O)c1)N1CCCC1,SZBGGTHBNJESLD-UHFFFAOYSA-N
-rxn:5:197876:225464:227045,CC1CCCN(c2cccc(-c3cc4c(cc3-c3cccc(SC(C)(C)C)c3)C(=O)N(C(C)(C)C)S4(=O)=O)c2)C1,FMJPEBZAJKOKDP-UHFFFAOYSA-N
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-rxn:5:197876:225671:228506,CCCc1ccccc1-c1cc2c(cc1-c1cc(C3CCCCC3)ncc1F)S(=O)(=O)N(C(C)(C)C)C2=O,GUOIBUPFYPYAHC-UHFFFAOYSA-N
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-rxn:5:197876:226068:227824,Cc1cc(C(C)(C)C)cc(C)c1-c1cc2c(cc1-c1ccc(C3CCC3)cc1)C(=O)N(C(C)(C)C)S2(=O)=O,CYLJHWXRPBTMBU-UHFFFAOYSA-N
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-rxn:5:197876:228624:225435,CSc1cc(-c2cc3c(cc2-c2ccccc2CN2CCCCC2)C(=O)N(C(C)(C)C)S3(=O)=O)ccc1C,ZXRXMNRQOZLTFL-UHFFFAOYSA-N
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-rxn:5:227935:178295:227081,CCc1cc(-c2ccc(-c3ccc(N4CCCC4)cc3)cc2C2(C(=O)OC)CCC(=O)CC2)ccc1OC,NFKSIUIRXSYFMV-UHFFFAOYSA-N
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-rxn:4:173708:223595,CCCCC1(CCCC)c2ccccc2-c2ccc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)c(F)c3)cc21,GFVOHZVQQMNPFX-UHFFFAOYSA-N
-rxn:4:173737:223559,COC(=O)CCSc1ccc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)cc1,SXEAOGNUSFJGAM-UHFFFAOYSA-N
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-rxn:4:173801:224377,CN1CCN(S(=O)(=O)c2ccc(-c3ccc(OCC(F)(F)C(F)F)cc3C(F)(F)F)cc2)CC1,KBWZIIBGQQPDCU-UHFFFAOYSA-N
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-rxn:4:173806:226493,COCCOc1ccc(-c2cc(OC(C(F)(F)F)C(F)(F)F)ccc2C(F)(F)F)c(Cl)c1,SKJBITLPRFVDMB-UHFFFAOYSA-N
-rxn:4:173910:223776,COC(=O)C(C(=O)OC)c1ccc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)CCO3)cc1,PPZYGYDMHOZMHN-UHFFFAOYSA-N
-rxn:4:173957:223539,CCOC(=O)Cc1cc(OC)ccc1-c1ccc(OC)c(S(=O)(=O)N2CCC3(CC2)OCCO3)c1,FQCYUOWBAOKYPB-UHFFFAOYSA-N
-rxn:4:174074:224392,Cc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1ccc(OCC(C)C)cc1OC(F)(F)F,XTTICHLOXLTTCU-UHFFFAOYSA-N
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-rxn:4:174136:223593,CCOc1cc(OCC)c(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c(Cl)c2)cc1C(C)=O,LFYYMLFWLDKDDY-UHFFFAOYSA-N
-rxn:4:174283:223669,COc1ccc(COc2ccc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)nc3)c(C(F)F)c2)cc1,CSGBJQTUYQLLRA-UHFFFAOYSA-N
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-rxn:4:174514:225114,CC(C)[Si](Oc1cccc(-c2csc(CO[Si](C)(C)C(C)(C)C)c2)c1)(C(C)C)C(C)C,RTQSQYDQJKBGEE-UHFFFAOYSA-N
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-rxn:4:174522:225113,CC(C)[Si](C#Cc1ccc(-c2cccc(C(=O)OOC(C)(C)C)c2)cc1)(C(C)C)C(C)C,HDEZAFAWJBHRDJ-UHFFFAOYSA-N
-rxn:4:174756:222805,OC1CCN(c2cc(-c3ccc(OC(F)(F)C(F)(F)F)cc3C(F)(F)F)cc(F)c2F)CC1,KBHMMFZLDNTMCE-UHFFFAOYSA-N
-rxn:4:175065:223754,CCc1ccc(OCC(F)(F)F)c(-c2ccc(OCCCN3CCC(C)CC3)c(Cl)c2)c1,CXSCJYBYVIQFFF-UHFFFAOYSA-N
-rxn:4:175263:223644,CCOC(=O)C1CCCN(C(=O)c2ccc(-c3cc(OC4COC4)cc(C(=O)OC)c3)cc2)C1,DHISHGGKLNKPNZ-UHFFFAOYSA-N
-rxn:4:175377:224609,CC(C)N(C(=O)c1ccncc1-c1ccc(C(C)(OS(C)(=O)=O)C(F)(F)F)cc1)C(C)C,ZUEMUHJSSMWYLB-UHFFFAOYSA-N
-rxn:4:175409:223689,CCOc1cc(-c2ccc(OC)c(S(=O)(=O)N3CCN(CC)CC3)c2)cc(Cl)c1OC(C)C,AVRILMAMEYWGJR-UHFFFAOYSA-N
-rxn:4:175504:223533,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc(CCC(=O)C4CCC4)cc3)c(F)c2)CC1,XOMHUPHEDGBTJS-UHFFFAOYSA-N
-rxn:4:175556:223712,COc1ccc(-c2c(OC[C@H]3CO3)ccc(F)c2C2OCCO2)cc1C12CC3CC(CC(C3)C1)C2,JZJVWIZBKGIEFI-AQNSGRBSSA-N
-rxn:4:175582:224195,CCN1CCN(Cc2cc(-c3ccc(C(=O)OC(C)(C)C)c(C(F)(F)F)c3)ccc2Cl)CC1,ZMAITZQYVNHWHI-UHFFFAOYSA-N
-rxn:4:175951:222439,COc1cc(OC)cc(-c2ccc(-c3ccc(S(=O)(=O)NC4CCCCC4)cc3C(F)(F)F)cc2OC)c1,GHGLMTRMBVILLI-UHFFFAOYSA-N
-rxn:4:175988:224721,Cc1nn(CC(=O)OC(C)(C)C)c(C)c1-c1c(OCC2CCCCC2)cccc1C(F)F,CXNIGIBVBSVOOZ-UHFFFAOYSA-N
-rxn:4:176017:224719,CC(C)c1cc(-c2cn(C(=O)OC(C)(C)C)nc2C(C)C)ccc1C(=O)OC(C)(C)C,NYUADNJXFGQUSL-UHFFFAOYSA-N
-rxn:4:176018:224780,COc1cc(-c2ccc(C3CCOC3)c(C(F)(F)F)c2)c(F)cc1OCC1CCCCC1,GNRROGICLVVUPQ-UHFFFAOYSA-N
-rxn:4:176086:223569,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(F)c(-c3cccc(CO[Si](C)(C)C(C)(C)C)c3)cnc21,HGYYHTIRUWMJKZ-UHFFFAOYSA-N
-rxn:4:176126:224830,O=C(Oc1ccc(-c2cc(C(F)(F)F)nn2C2CCCCO2)cc1)C1=C(c2ccccc2)S(=O)(=O)CCO1,UVRDTASKZDBLEW-UHFFFAOYSA-N
-rxn:4:176168:222638,CC(NC(=O)OC(C)(C)C)c1cccc(-c2cc(F)c([Si](C(C)C)(C(C)C)C(C)C)c(F)c2)c1,CHOLATFVYYRCFD-UHFFFAOYSA-N
-rxn:4:176270:224420,CC(C)=CCOc1ccc2c(c1)OC(=Cc1ccccc1-c1cc3c(cc1C)C(C)(C)CCC3(C)C)C2=O,IXGJCILPHJBYRL-UHFFFAOYSA-N
-rxn:4:176322:228611,CCC1(CC)CC(C)(C)c2c1cc1c(c2-c2cc(OC)ccc2C)C(C)(C)CC1(CC)CC,IMVQWYNZVLEFKQ-UHFFFAOYSA-N
-rxn:4:176561:223559,COC(=O)C(F)c1cccc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)c1,MEKXFFBYQVIJFI-UHFFFAOYSA-N
-rxn:4:177839:223497,COC(=O)C1(c2cccc(-c3ccc(C(C)N4CCC(O[Si](C)(C)C(C)(C)C)CC4)cc3)c2)CCC1,WLLFQHCJMWORNO-UHFFFAOYSA-N
-rxn:4:177865:222426,CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)Nc1ccc(-c3ccccc3CS(=O)(=O)c3ccccc3)cc12,IURITKOTCYWSII-UHFFFAOYSA-N
-rxn:4:177881:223507,CSc1ccc(C(=O)c2ccccc2-c2ccccc2S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1,BAVZEQOSCKQKIA-UHFFFAOYSA-N
-rxn:4:178058:223491,Cc1ccc(F)c(OCc2cccc(-c3cc(N4CCN(C(=O)OC(C)(C)C)CC4)cc(C(F)(F)F)c3)c2)c1,SBHQSGSZNZNKNM-UHFFFAOYSA-N
-rxn:4:178152:224399,FC(F)(F)c1cc(OC2CCOCC2)cc(-c2ccc(N3CCOCC3)cc2C(F)(F)F)c1,FKDHHTQNIUWGRS-UHFFFAOYSA-N
-rxn:4:178170:223889,CC(C)(C)OC(=O)N1CCc2cccc(-c3cccc(OC(=O)C4CCCCC4)c3)c2C1,LIDQBZMXWLYXKM-UHFFFAOYSA-N
-rxn:4:178184:223712,COc1ccc(-c2cc(OC(C)C)c(F)c(C3OCCO3)c2)cc1C12CC3CC(CC(C3)C1)C2,HRGXLKXBUCFWQK-UHFFFAOYSA-N
-rxn:4:178296:225331,CCOc1cc(OC(F)(F)F)cc(-c2cc(C3(C(=O)OC)CCC(=O)CC3)ccc2F)c1,NHTYUHXFFOMMDD-UHFFFAOYSA-N
-rxn:4:178330:224420,COC(=O)C1(c2ccc(-c3cc4c(cc3C)C(C)(C)CCC4(C)C)cc2)CC2(C1)OCCO2,LQRLVSCOBSIRDW-UHFFFAOYSA-N
-rxn:4:178381:224609,CC(C)N(C(=O)c1ccncc1-c1c(C(C)(C)C)cc(C(C)(C)C)cc1C(C)(C)C)C(C)C,UMLMBAMKQIORBG-UHFFFAOYSA-N
-rxn:4:178381:225280,COc1nc(OC)c([Si](C)(C)C)cc1-c1c(C(C)(C)C)cc(C(C)(C)C)cc1C(C)(C)C,CAHMEGPAIGNWNM-UHFFFAOYSA-N
-rxn:4:178381:225283,CCC(C)c1cc(-c2c(C(C)(C)C)cc(C(C)(C)C)cc2C(C)(C)C)cnc1C(F)(F)F,MPKJVIOPIBWQIY-UHFFFAOYSA-N
-rxn:4:178384:226560,CCOc1cc(F)c(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)cc1OC,QBBACKBDCIRGGM-UHFFFAOYSA-N
-rxn:4:178384:228256,COc1cc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)cc(C)c1F,AIMGJZJNFQMMBC-UHFFFAOYSA-N
-rxn:4:178384:228398,COc1ccc(Cl)c(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c1F,RYLIGJVSIMAJIU-UHFFFAOYSA-N
-rxn:4:178384:228732,N#Cc1cccc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c1F,UWCCDTISYBQDLH-UHFFFAOYSA-N
-rxn:4:178384:228777,COc1ccc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c(F)c1,UVTYHCRTMAYNAL-UHFFFAOYSA-N
-rxn:4:178384:228837,Cc1ccc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c(F)c1Cl,KPICNNNQIJSUPN-UHFFFAOYSA-N
-rxn:4:178475:223502,COC(=O)CC1CC(=O)Oc2cccc(-c3ccc(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c(F)c3)c21,BXQYQHZGTPLING-UHFFFAOYSA-N
-rxn:4:178594:226382,Fc1cc(OCC23CC4CC(CC(C4)C2)C3)c(Cl)cc1-c1cnc(C2CCCCC2)nc1,HAKVUHJJUMOLLI-UHFFFAOYSA-N
-rxn:4:178597:225805,CC(c1ccc(-c2ccc(OC(=O)C3OC4OC(C)(C)OC4C4OC(C)(C)OC34)cc2)s1)N1CCOCC1,YFSWKYBTGYWBDI-UHFFFAOYSA-N
-rxn:4:178597:226200,CC(C)n1cnc2cc(-c3ccc(OC(=O)C4OC5OC(C)(C)OC5C5OC(C)(C)OC45)cc3)ccc21,IMTFDWKNUFSRQJ-UHFFFAOYSA-N
-rxn:4:178597:226903,Cc1ccc2ccccc2c1-c1ccc(OC(=O)C2OC3OC(C)(C)OC3C3OC(C)(C)OC23)cc1,AJXJEGQBMDQXHI-UHFFFAOYSA-N
-rxn:4:178597:226924,Cc1cc(-c2ccc(OC(=O)C3OC4OC(C)(C)OC4C4OC(C)(C)OC34)cc2)c(C)c(C2CC2)c1,NASRYNPBTAOVAL-UHFFFAOYSA-N
-rxn:4:178597:227067,COc1ccc(-c2ccc(OC(=O)C3OC4OC(C)(C)OC4C4OC(C)(C)OC34)cc2)c(C2CC2)c1,ASSIRBJOEXSUHJ-UHFFFAOYSA-N
-rxn:4:178597:227831,CCc1c(C)cc(-c2ccc(OC(=O)C3OC4OC(C)(C)OC4C4OC(C)(C)OC34)cc2)cc1C,PSKHHSVVSRZKCO-UHFFFAOYSA-N
-rxn:4:178597:227957,Cc1nc(C(C)C)ccc1-c1ccc(OC(=O)C2OC3OC(C)(C)OC3C3OC(C)(C)OC23)cc1,SZKWIMWOCSQOLB-UHFFFAOYSA-N
-rxn:4:178597:229001,CCc1cnccc1-c1ccc(OC(=O)C2OC3OC(C)(C)OC3C3OC(C)(C)OC23)cc1,MXOJFSAFKWPWCG-UHFFFAOYSA-N
-rxn:4:179414:223559,COC(=O)c1ccc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)c(Cl)c1C,KVYRSFOMBPOXMO-UHFFFAOYSA-N
-rxn:4:179488:223644,CCOC(=O)C1CCCN(C(=O)c2ccc(-c3ccc(C(F)(F)F)cc3S(C)(=O)=O)cc2)C1,INCPVVGUDLCJRO-UHFFFAOYSA-N
-rxn:4:180485:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cc(C2CCOCC2)cc(C2CC2)c1,QNFAJEYRNSDJHE-UHFFFAOYSA-N
-rxn:4:180498:222389,c1cc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)c(C2CC2)cc1C1CCCOC1,HOXZSFIZJDKRBV-UHFFFAOYSA-N
-rxn:4:180531:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3cc(C(C)(C)C)ccc3C(C)(C)C)cc21,ZQAPPKLPFPNKFH-UHFFFAOYSA-N
-rxn:4:180792:225197,CCOC1CCC2(CC1)Cc1ccc(-c3cc(F)c(OC4CCCC4)c(Cl)c3)cc1C2=O,QJEMYNXZHOAVOB-UHFFFAOYSA-N
-rxn:4:181801:223900,CC(C)(C)[Si](C)(C)OCCc1ccc(-c2c(F)c(F)c(-c3c(F)c(F)c(F)c(F)c3F)c(F)c2F)cc1F,AJDNLXKYIMNUIU-UHFFFAOYSA-N
-rxn:4:182106:224059,COc1c(-c2cc(C3OCC(C)(C)CO3)c(F)c(C)c2F)cc(C(C)(C)C)cc1C(C)(C)C,FLRNLTGHVRWASM-UHFFFAOYSA-N
-rxn:4:182230:224007,CC(C)COc1cc(OC(F)(F)F)cc(-c2cc(C(F)(F)F)cc3c2OCCC3=O)c1F,BOKAMITXXNZSPS-UHFFFAOYSA-N
-rxn:4:182354:223474,COc1ccc(-c2ccc(OCc3ccccc3)c(C34CC5CC(CC(C5)C3)C4)c2)c2c1OC1(CCCC1)C2,VHQKKWAAKSTVHG-UHFFFAOYSA-N
-rxn:4:182354:223976,COc1ccc(-c2cc(OC3CCCC3)cc(OC(F)(F)F)c2)c2c1OC1(CCCC1)C2,ZBSBPAJYLHJVOJ-UHFFFAOYSA-N
-rxn:4:182367:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2ccc3c(c2)C(=O)C2(CCC(C(F)F)CC2)C3)cc1,UNFGFUNIGMENDR-UHFFFAOYSA-N
-rxn:4:182372:224667,CO[C@H]1CC[C@]2(CC1)Cc1ccc(-c3ccc(Cl)c(CN4CCN(C)CC4)c3)cc1C2=O,HZRABUARWIVVTJ-JIBACQESSA-N
-rxn:4:182374:222442,CC(=O)c1cc2c(cc1-c1ccc(S(=O)(=O)NC3CCCC3)c3ccccc13)C(C)(C)CCC2(C)C,NFYLDMLEVDXIOP-UHFFFAOYSA-N
-rxn:4:182376:225305,CO[C@H]1[C@H](C)C[C@@]2(Cc3ccc(-c4cnc(C5CCC5)c(C(F)(F)F)c4)cc3C2=O)C[C@@H]1C,XZFGPEQTXLDBEM-DXWVQTJWSA-N
-rxn:4:182596:223490,Cc1cc(C)c(-c2ccc(C)c(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)c(C)c1,XISVVQLXSSKABS-UHFFFAOYSA-N
-rxn:4:182961:223541,O=C1CCOc2cc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCC4(CC3)OCCO4)cc(F)c21,LAQJCKHAOZXXOX-UHFFFAOYSA-N
-rxn:4:183270:223883,Cc1cc2c(cc1-c1ccc3c(c1)CCCN3C(=O)OC(C)(C)C)C(C)(C)CCC2(C)C,LSWPHINLJDRDNA-UHFFFAOYSA-N
-rxn:4:183271:223083,Cc1nc(N2CCC(O)C2)ncc1-c1ccc2c(c1)OCCOCCOCCOCCO2,HDTMFQZQPJUKNJ-UHFFFAOYSA-N
-rxn:4:183271:225209,Cc1nc(N2CCCCC2C)ncc1-c1ccc2c(c1)OCCOCCOCCOCCO2,VJGIOCIMSABLLK-UHFFFAOYSA-N
-rxn:4:183272:222460,COc1cc(NS(=O)(=O)c2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCO4)cc2)ccc1F,AWERLZOYQGTMCF-UHFFFAOYSA-N
-rxn:4:183273:228621,CSc1cc(C)ccc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,NWUMOCFDQNRKFJ-UHFFFAOYSA-N
-rxn:4:183273:229044,Cc1cc(Cl)cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,LZVWNELWNMTTDD-UHFFFAOYSA-N
-rxn:4:183273:229105,Cc1nc(Cl)ccc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,QMQUTOLWQQYWLR-UHFFFAOYSA-N
-rxn:4:183274:227148,Cc1cc2c(cnn2C)cc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCOCCO2,OQKMPOAVQUKPSE-UHFFFAOYSA-N
-rxn:4:183274:228427,COc1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCOCCO3)c(F)c1Cl,RCIVZVDITMHHHM-UHFFFAOYSA-N
-rxn:4:183471:222703,CCOC(=O)COc1ccc(-c2ccc(C(F)(F)F)c(C3CCNCC3)c2)cc1[N+](=O)[O-],XXBUXHPSKDTQCT-UHFFFAOYSA-N
-rxn:4:183483:223531,CCOC(=O)CC(=O)c1cc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)c(Cl)c2)cc([N+](=O)[O-])c1,PJESKRUZWPXFBT-UHFFFAOYSA-N
-rxn:4:183505:223973,CCOC(=O)Cc1c(C#N)cc(-c2ccc(N3CCCC(C)C3)cc2C(F)(F)F)cc1C(F)F,WTRVZBILUKRPQT-UHFFFAOYSA-N
-rxn:4:183582:224350,CCOC(=O)c1cc(-c2cnc(C3CCCCC3)c(C(F)(F)F)c2)cnc1C(=O)OCC,CXINSYVUXORXNB-UHFFFAOYSA-N
-rxn:4:183591:223671,CCOC(=O)C(C)Oc1ccc(-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1[N+](=O)[O-],NRXNHCUHXSWFAU-UHFFFAOYSA-N
-rxn:4:183610:223872,CCN(C(=O)c1cccc(-c2cc(OC(F)(F)F)ccc2OCC(=O)N2CCC2)c1)C1CCCCC1,OQIBCGYTMVKWHX-UHFFFAOYSA-N
-rxn:4:183626:223503,CC(C)(C)OC(=O)COc1ccc(C#N)cc1-c1c(F)cc(OC2CCN(C(=O)OC(C)(C)C)CC2)cc1F,DPJDJDDDYKNADZ-UHFFFAOYSA-N
-rxn:4:183631:223522,CC(C)(C)[Si](C)(C)OC1CCN(c2cc(F)cc(-c3cccc(OCCOCc4ccccc4)n3)c2)CC1,SXEZYGJVPIKDCY-UHFFFAOYSA-N
-rxn:4:183695:223100,CNS(=O)(=O)c1ccc(OC)c(-c2cc(OC(F)(F)F)ccc2OCC(=O)N2CCCC2)c1,KECAGFDDBZYLPQ-UHFFFAOYSA-N
-rxn:4:183726:225207,CCCOc1cc(-c2cc(C3CC3)cc(C(F)(F)F)c2C)ccc1C(=O)ON1C(=O)CCC1=O,MXOIPYIGUALRGK-UHFFFAOYSA-N
-rxn:4:183729:225231,CC1CCCCN1c1cc(-c2cc(OC(F)(F)F)ccc2OCC(=O)N2CCOCC2)cnc1Cl,QUMNIQJTIXRVEJ-UHFFFAOYSA-N
-rxn:4:183808:225189,O=C1CCC(=O)N1Cc1cccc(-c2ccc(OC(F)(F)F)cc2OCCN2CCC(F)(F)CC2)c1,GZWVBLJUJIYOIX-UHFFFAOYSA-N
-rxn:4:183818:224488,CC(C)N(C(=O)c1ccc(-c2ccccc2CN(C(=O)OC(C)(C)C)C2CC2)cc1)C(C)C,WHAHCNQPUYQKME-UHFFFAOYSA-N
-rxn:4:183826:222912,CC(C)CNS(=O)(=O)c1ccc(-c2cccc(CN(C(=O)OC(C)(C)C)C3CC3)c2Cl)cc1,HIDHWRFAPMYBED-UHFFFAOYSA-N
-rxn:4:183833:223093,C#Cc1ccc(-c2cncc(NS(=O)(=O)C(C)C)c2)cc1OC1CN(C(=O)OC(C)(C)C)C1,MJKFRBCRVXLGMC-UHFFFAOYSA-N
-rxn:4:183833:224281,C#Cc1ccc(-c2cc3c(OC)cc(OC)cc3nc2OC)cc1OC1CN(C(=O)OC(C)(C)C)C1,BOHSBKSZTFYJSY-UHFFFAOYSA-N
-rxn:4:183900:222897,CCCCNS(=O)(=O)c1cccc(-c2cc(F)ccc2CN(C(=O)OC(C)(C)C)C(C)C)c1,BAWVFSZSTSLIJK-UHFFFAOYSA-N
-rxn:4:183908:222716,CCCCN(C(=O)c1cccc(-c2ccc(S(=O)(=O)NC3CCCC3)c(F)c2)c1)C1CCS(=O)(=O)C1,LTGJWADTYASJQS-UHFFFAOYSA-N
-rxn:4:183911:226868,CC1CCCCN1CCOc1cc(OC(F)(F)F)ccc1-c1ccc(OC(F)(F)F)c(Cl)c1,RKAXADJLPDCQEJ-UHFFFAOYSA-N
-rxn:4:183928:222771,CC(c1ccc(-c2ccc(F)c(C(=O)NC3CCCC3)c2)cc1)N(C(=O)OC(C)(C)C)C1CC1,CMYNIKJGIODBEA-UHFFFAOYSA-N
-rxn:4:183928:222913,CC(c1ccc(-c2ccc(CNS(=O)(=O)C3CC3)cc2)cc1)N(C(=O)OC(C)(C)C)C1CC1,QLLLRWHPYHFPGY-UHFFFAOYSA-N
-rxn:4:183928:224276,CC(c1ccc(-c2cn(C(=O)OC(C)(C)C)c3cccnc23)cc1)N(C(=O)OC(C)(C)C)C1CC1,ICZMZSLVHUWOTH-UHFFFAOYSA-N
-rxn:4:183929:223841,Cc1ccc(-c2cc(S(=O)(=O)N3CCN(C)CC3)c(C)cc2F)cc1CN(C(=O)OC(C)(C)C)C1CC1,RVGBXWGXRCBVEF-UHFFFAOYSA-N
-rxn:4:183929:225564,COC(=O)C(C)(C)c1cccc(-c2ccc(C)c(CN(C(=O)OC(C)(C)C)C3CC3)c2)c1,UMPFUGRCRXYEEN-UHFFFAOYSA-N
-rxn:4:183934:225053,COC(=O)C1CCN(CCCc2ccccc2-c2ccc(N3CCCCC3C)cc2F)CC1,WIUKHTLGSNUVNH-UHFFFAOYSA-N
-rxn:4:183944:227789,CC(C)(C)OC(=O)N1CC(CS(=O)(=O)c2cccc(-c3cc(Cl)nc(C(F)(F)F)c3)c2)C1,AZIOLRDQRUTGNZ-UHFFFAOYSA-N
-rxn:4:183961:224878,CC(C)(C)OC(=O)N1CCC[C@H]1COc1ccc(-c2ccccc2COC2CCCCC2)cc1,OXXHRQWQRLVRKA-DEOSSOPVSA-N
-rxn:4:183967:224801,CCCOc1cc(-c2ccc(Cl)c(OCC3CCN(C(=O)OC(C)(C)C)C3)c2)cc(C(F)(F)F)c1F,BPBAFSJZEBPEQX-UHFFFAOYSA-N
-rxn:4:183973:223533,COc1ccc(CN(C(C)C)S(=O)(=O)c2cccc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)cc3F)c2)cc1,MKTRVKGZRACCAI-UHFFFAOYSA-N
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-rxn:4:184003:223959,CCN1CCN(C(=O)c2cc(-c3ccc(CC(=O)N4CCC(S(=O)(=O)Cc5ccco5)CC4)cc3)ccc2Cl)CC1,ZKEFFXMFWRXUEI-UHFFFAOYSA-N
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-rxn:4:186544:225122,CC(C)(C)[Si](C)(C)Oc1cncc(-c2ccc(C(=O)ON3C(=O)CCC3=O)cc2C(F)(F)F)c1,HUFLJIBCGZVSSZ-UHFFFAOYSA-N
-rxn:4:186747:223979,COC1CN(C(=O)c2c(-c3cc(C(=O)N4CCCCC4)cc([N+](=O)[O-])c3)cccc2C(F)(F)F)C1,PLRQJODTNYBFBT-UHFFFAOYSA-N
-rxn:4:186797:223651,Cc1nc(C2CCN(C(=O)OC(C)(C)C)C2)ccc1-c1cc(Cl)ccc1OCC(=O)N1CCOCC1,RJNJIKAFVIWNAF-UHFFFAOYSA-N
-rxn:4:186821:223939,CC(C)(C)OC(=O)N1CCOc2ccc(-c3cc(OC(F)(F)F)cc(C(=O)N4CCOCC4)c3)cc21,LALOQEDCBDJDFW-UHFFFAOYSA-N
-rxn:4:186868:222647,COC(=O)C(C)(c1ccc(F)c(-c2cc(C)c(NC(=O)OC(C)(C)C)cc2C)c1)N(C)C,BENFXHFYHSMKOS-UHFFFAOYSA-N
-rxn:4:186964:224198,CCN1CCN(Cc2ccc(-c3cccc(C#N)c3OCC3CCCCC3)c(F)c2)CC1,KDSGYHPSMHMMNI-UHFFFAOYSA-N
-rxn:4:186975:222540,O=C(NCCN1CCCCC1)c1cccc(-c2ccc(Cl)c(OCC(=O)N3CCCCC3)c2)c1,DMLKPUPMMONNDK-UHFFFAOYSA-N
-rxn:4:187027:223255,CONC(=O)c1cccc(-c2cc(OC(F)(F)F)cc(C(=O)N3CCC(F)(F)CC3)c2)c1,FQPWKOLVLCSTBR-UHFFFAOYSA-N
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-rxn:4:187352:222628,CC(C)[Si](c1ncc(-c2cc(C3CCC3)nc(C3CCCNC3)c2)s1)(C(C)C)C(C)C,WLAVSFSAAMFBCN-UHFFFAOYSA-N
-rxn:4:187421:222888,Cc1ccc(C2CN(C(=O)OC(C)(C)C)C2)cc1-c1ccc(CN2CCNCC2)c(Cl)c1,ZYFVUMIVTUBJMO-UHFFFAOYSA-N
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-rxn:4:191062:226414,CS(=O)(=O)C1CC2CCC(C1)N2S(=O)(=O)c1ccccc1-c1ccc(C2=NCCCO2)cc1,CZEAJCCLLPBBEE-UHFFFAOYSA-N
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-rxn:4:191062:227403,CS(=O)(=O)C1CC2CCC(C1)N2S(=O)(=O)c1ccccc1-c1ccc(N2CCCCC2)s1,BYVDADMYHRHSCW-UHFFFAOYSA-N
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-rxn:4:203638:222542,Cc1ccc(-c2ccc(S(=O)(=O)NN3CCOCC3)cc2)cc1OCCCN1CCNCC1,YFPKGJYCTZRQFH-UHFFFAOYSA-N
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-rxn:4:203884:224738,CN1CCN(S(=O)(=O)Cc2ccc(-c3cc(OCC4CC4)cc(C(F)(F)F)c3)cc2)CC1,GOYMEIOPXFWAIA-UHFFFAOYSA-N
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-rxn:4:203930:223689,CCN1CCN(S(=O)(=O)c2cc(-c3cc([N+](=O)[O-])c(OC)cc3N3CCCCC3C)ccc2OC)CC1,IODYOTILBQNLPA-UHFFFAOYSA-N
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-rxn:4:204027:222856,COc1ccc(C2CCNCC2)cc1-c1ccccc1CN1CCN(S(C)(=O)=O)C[C@@H]1C,XWBBCLFHUHHDME-IBGZPJMESA-N
-rxn:4:204029:224703,CC1CN(S(C)(=O)=O)CCN1Cc1ccc(-c2cc(C3CCCC3)cc(C(F)(F)F)c2)cc1,MEUGTCJPASFBBO-UHFFFAOYSA-N
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-rxn:4:204043:223994,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cccc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)c1,SYERBLNTCHHCTD-UHFFFAOYSA-N
-rxn:4:204059:223840,COc1ccc(-c2ccc(S(=O)(=O)N3CCN(c4ccccc4Cl)CC3)cc2)cc1S(=O)(=O)N1CCN(C)CC1,BBBRNFALSFUVOS-UHFFFAOYSA-N
-rxn:4:204067:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(CN2CCCC2)c(N2CCOCC2)c1,ZFUVRUAZJYWQBP-UHFFFAOYSA-N
-rxn:4:204090:224597,CC(C)N1CCCC(Cc2cccc(-c3cc(C4CC4)cc(N4CCOCC4)c3)n2)CC1,SZMUJDDIHSNQDB-UHFFFAOYSA-N
-rxn:4:204115:226336,N#Cc1cc(-c2ccccc2S(=O)(=O)N2CCCN(C3CCC3)CC2)c(Cl)cc1C1CC1,AQXKQCGCRFEYNU-UHFFFAOYSA-N
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-rxn:4:204417:223583,COC(=O)c1ccc2c(-c3nc4c(s3)CN(C(=O)OC(C)(C)C)C4)cn(C(=O)OC(C)(C)C)c2c1,FEOIDFZTPJDYAR-UHFFFAOYSA-N
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-rxn:4:204574:224819,O=S(=O)(c1ccc(-c2c(COC3CCCCO3)nn3c2CCC3)cc1)N1CCOCC1,KFPNSNIWUZZTHI-UHFFFAOYSA-N
-rxn:4:204585:223594,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)cc(-c3cnc4c(c3)C(=O)CCN4C(=O)OC(C)(C)C)c2)CC1,YGAYKZOCLIYAHJ-UHFFFAOYSA-N
-rxn:4:204681:222825,CC(C)(C)NS(=O)(=O)c1ccc(Cl)cc1-c1ccc2c(n1)N(C(=O)OC(C)(C)C)CC2(C)C,WRSOMONPBWZWNK-UHFFFAOYSA-N
-rxn:4:204681:225901,Cc1nn(C(=O)OC(C)(C)C)cc1-c1ccc2c(n1)N(C(=O)OC(C)(C)C)CC2(C)C,QFCCENUOKBJLRG-UHFFFAOYSA-N
-rxn:4:204683:222897,CCCCNS(=O)(=O)c1cccc(-c2cnc3c(c2)N(C(=O)OC(C)(C)C)CC3(C)C)c1,UWORMHDKKMJRHD-UHFFFAOYSA-N
-rxn:4:204691:226122,CCCCN1C(=O)C(=C2SC(=S)N(C)C2=O)c2cc(-c3cc(COC)ccc3C3CC3)ccc21,ZMORMEVBTJYAGW-UHFFFAOYSA-N
-rxn:4:204740:226532,CCOC(=O)c1cc(F)cc(-c2ccc3c(c2)C(=C2SC(=S)N(CC(C)C)C2=O)C(=O)N3CC)c1,SAUOJMRBHNPBOK-UHFFFAOYSA-N
-rxn:4:204807:226088,CCN(CC)Cc1ccc(-c2ccc(C(=O)N=C3SC4CS(=O)(=O)CC4N3c3ccc(C)cc3)cc2)cc1,UFWUJNWUGIHKQY-UHFFFAOYSA-N
-rxn:4:204825:224132,Cc1ccc(Cl)cc1N1C(=O)N(Cc2ccc(-c3ccccc3C(=O)N(C)C3CCCCC3)cc2F)c2ccccc2S1(=O)=O,AODZYMHGUPSHNG-UHFFFAOYSA-N
-rxn:4:204861:222793,Cc1cccc(C)c1N1CCN(C(=O)c2cc3cc(-c4cccc(NC(=O)OC(C)(C)C)c4F)ccc3oc2=O)CC1,BXRGZGNUSWPAST-UHFFFAOYSA-N
-rxn:4:204897:224485,CC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2ccc3c4c([nH]c3c2)CN(C(=O)OC(C)(C)C)CC4)c1,MCDFUZJORFLSAA-UHFFFAOYSA-N
-rxn:4:206419:223845,CN1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2ccc(S(=O)(=O)N3CCCC3)nc2)CC1,SDWULSYXGKCSAY-UHFFFAOYSA-N
-rxn:4:206431:223670,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2cnc(Cl)c(C(=O)N3CCOCC3)c2)CC1,BAYCSLUUWFWAOH-UHFFFAOYSA-N
-rxn:4:206543:222632,O=C(NCCN1CCCC1)c1cccc(-c2cnc(N3CCOCC3)c(C(F)(F)F)c2)c1,WPENWQBLZATUQT-UHFFFAOYSA-N
-rxn:4:206545:224620,CC(C)(C)[Si](C)(C)OCc1ccc(-c2c(C(F)(F)F)cc(N3CCOCC3)nc2Cl)cn1,RCBNBKYQICMLDL-UHFFFAOYSA-N
-rxn:4:206789:223844,Cc1cc([N+](=O)[O-])cc(-c2ccc(S(=O)(=O)N3CCCC3)cc2C(F)(F)F)c1N1CCOCC1,ZDVBZMZXGXDHTK-UHFFFAOYSA-N
-rxn:4:206846:223812,CC(=O)N1CCCC(c2ccc(-c3cc(F)cc(CN4CCC5(CC4)OCCO5)c3)cn2)C1,ZNZAXFFSVLPIDA-UHFFFAOYSA-N
-rxn:4:206956:223679,CCN1CCN(S(=O)(=O)c2c(C)cc(-c3cccc(S(=O)(=O)N4CCN(C)CC4)c3)cc2C)CC1,OCIZSMQHLNNXFH-UHFFFAOYSA-N
-rxn:4:206959:224370,CC(C)OC(=O)c1ccc(C(F)(F)F)cc1-c1cccc(N2CCN(S(C)(=O)=O)CC2)c1,OPCKBKJREOMTJX-UHFFFAOYSA-N
-rxn:4:207011:224485,CC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2ccc(N3CCN(C4COC4)CC3)cc2)c1,QXFKVQLOSSSFRT-UHFFFAOYSA-N
-rxn:4:207017:224007,Cc1cc(-c2cc(OC(F)(F)F)cc(OCC(C)C)c2F)c(Cl)cc1C(=O)N1CCN(C)CC1,PMIKGACTHYVOFD-UHFFFAOYSA-N
-rxn:4:207602:222426,CC(=O)c1sc2nc(-c3ccc(-c4ccc5c(c4)C4(CCN(C(=O)OC(C)(C)C)CC4)C(=O)N5)cc3)cn2c1C,YZMHZWDAPLULKW-UHFFFAOYSA-N
-rxn:4:207685:222439,O=S(=O)(NC1CCCCC1)c1ccc(-c2cc(C(F)(F)F)c3ncn(C4CCCCO4)c3c2)c(C(F)(F)F)c1,GCQLZLWYMMGRKV-UHFFFAOYSA-N
-rxn:4:207743:222607,CN1CCN(C(=O)c2cc3ccc(-c4ccc(NC5CCN(S(C)(=O)=O)CC5)cc4)cc3s2)CC1,YJHCPXWKCMMRMV-UHFFFAOYSA-N
-rxn:4:207747:225190,COc1cc(N2CCOCC2)ccc1-c1ccc(N2C(=NC(C)=O)SC3CS(=O)(=O)CC32)cc1,YAFQSMCQAOWUFM-UHFFFAOYSA-N
-rxn:4:207770:226897,CCN1C(=O)C(=C2C(=O)N(CC)c3ccc(-c4cnc(OCC(F)(F)F)nc4)cc32)SC1=S,OBOAMKJIPQBDDT-UHFFFAOYSA-N
-rxn:4:207779:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(S(=O)(=O)N2CCN3CCC2CC3)cc1,PFGXKRDSWMOFTA-UHFFFAOYSA-N
-rxn:4:207796:223728,CCCCCC1CCC(c2ccc(-c3ccc4oc(=O)c(S(=O)(=O)N5CCN(C)CC5)cc4c3)c(F)c2)CC1,NOSGNZWPBPBUAN-UHFFFAOYSA-N
-rxn:4:207826:224375,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc(N3C(=O)N(c4ccccc4Cl)C4CS(=O)(=O)CC43)cc2)cc1,ZQDVLPLJIGVWQM-UHFFFAOYSA-N
-rxn:4:207834:224331,CC(=O)N=C1SC2CS(=O)(=O)CC2N1c1c(C)cc(-c2ccc(-c3ccc(C(F)(F)F)cc3)nc2)cc1C,QMHNYGOKBXPYSC-UHFFFAOYSA-N
-rxn:4:207847:223557,Cc1ccc(N2C(=O)N(c3cccc(-c4c(F)ccc5c4ccn5[Si](C(C)C)(C(C)C)C(C)C)c3)C3CS(=O)(=O)CC32)cc1,XEDHVJVWIGXUOQ-UHFFFAOYSA-N
-rxn:4:207852:223568,Cc1ccccc1N1C(=O)N(c2ccc(-c3cnc4c(ccn4[Si](C(C)C)(C(C)C)C(C)C)c3Cl)cc2)C2CS(=O)(=O)CC21,VEJOQTRVGGLZLK-UHFFFAOYSA-N
-rxn:4:207959:223278,Cc1ccc(C2=NN3C(C2)c2cc(-c4cnn(C5CCNCC5)c4)ccc2OC3C2CCCCC2)cc1,XPENUFUTEOMMNL-UHFFFAOYSA-N
-rxn:4:207959:224426,Cc1ccc(C2=NN3C(C2)c2cc(-c4cc(C5CCCCC5)cc(C5CC5)c4)ccc2OC3C2CCCCC2)cc1,XCCQKDQUUCJFRS-UHFFFAOYSA-N
-rxn:4:207960:225947,CN1CCN(c2ncc(-c3cccc(C=c4sc5n(c4=O)C(c4ccccc4)C4=C(CC(C)(C)CC4=O)N=5)c3)cn2)CC1,JLIAEEYFRJTVHN-UHFFFAOYSA-N
-rxn:4:209639:223595,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(N4CCOCC4)c(F)c3)cc2F)CC1,FZRDOOITJSDSEX-UHFFFAOYSA-N
-rxn:4:210784:223669,CN1CCc2c(cc([N+](=O)[O-])cc2-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2)C1,IBGZRQYEYYTJHX-UHFFFAOYSA-N
-rxn:4:212523:223973,CC1CCCN(c2ccc(-c3ccc(C(=O)N4CCN=C4SCc4ccc([N+](=O)[O-])cc4)o3)c(C(F)(F)F)c2)C1,SXBIVHQUJPTGHE-UHFFFAOYSA-N
-rxn:4:212529:224364,CC(C)COc1cc(OC(F)(F)F)cc(-c2cnc(OC3CCN(C(=O)CCC(F)(F)F)CC3)nc2)c1,OKTLHJUNOSYGEC-UHFFFAOYSA-N
-rxn:4:212561:224403,O=C(c1cccc(-c2cnc(N3CCOCC3)c(C(F)(F)F)c2)c1)N1CCN=C1SCc1ccc([N+](=O)[O-])cc1,PZXYVPLQFVMBTD-UHFFFAOYSA-N
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-rxn:4:212581:222854,COc1ccc(C2CCCNC2)cc1-c1ccc(CSC2=NCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1,IZJYLWNVJUWCTQ-UHFFFAOYSA-N
-rxn:4:212585:222912,CC(C)CNS(=O)(=O)c1ccc(-c2cnn(C)c2CN(C(=O)OC(C)(C)C)C(C)C)cc1,SSDXSGIFIOCWSP-UHFFFAOYSA-N
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-rxn:4:212593:227631,CN(C(=O)c1ccc(-c2cnc(C(C)(C)C)nc2Cl)nc1)C1CN(C(=O)OC(C)(C)C)C1,ZTIGNHAPLGJKDF-UHFFFAOYSA-N
-rxn:4:212639:223055,Cc1nc(N2CCNCC2)ccc1-c1cncc(CC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1,IQMDDJWWIOUUTQ-UHFFFAOYSA-N
-rxn:4:212641:225008,COCCN1C(=O)CN(C2CCN(C(=O)c3ccc(-c4ccc(N5CCC(OC)CC5)cc4)o3)CC2)C1=O,GSYVLOLKIXREEE-UHFFFAOYSA-N
-rxn:4:212650:223945,CC(C)(C)CC(=O)N1CCCC(COc2ncc(-c3ccc(OCCCN4CCOCC4)c(F)c3)cn2)C1,HNJBULZMUVXMJX-UHFFFAOYSA-N
-rxn:4:212654:222863,CCCCNC(=O)c1cc(-c2ccc(-c3cnc(SCC(=O)N4CCCCC4)n3CC)cc2)ccc1Cl,SEYUMTGVFAUFKG-UHFFFAOYSA-N
-rxn:4:212665:222693,COc1ccccc1S(=O)(=O)N1CCCC(COc2ncc(-c3ccc(S(=O)(=O)NC4CCCCC4)cc3)cn2)C1,OFOBIIJMRQGLTA-UHFFFAOYSA-N
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-rxn:4:212721:223183,CNS(=O)(=O)c1ccc(-c2cc(C(=O)OC(C)(C)C)cc(N3CCN(C(=O)C(C)C)CC3)n2)c(C)c1,OJTIDMFONLQMRB-UHFFFAOYSA-N
-rxn:4:212725:225183,CC(C)(C)c1ccc(OCC2CCN(C(=O)c3ccc(-c4ccc(OC5CCCCC5)nc4F)cc3)CC2)nn1,UIOGMMGVIBCRQO-UHFFFAOYSA-N
-rxn:4:212729:222674,COc1ccc(-c2noc(C3CCCN(S(=O)(=O)c4ccc(-c5cccc(C(=O)NC6CCCCC6)c5F)cc4)C3)n2)cc1OC,CXTDEXTYVVMARE-UHFFFAOYSA-N
-rxn:4:212729:223106,COc1ccc(-c2noc(C3CCCN(S(=O)(=O)c4ccc(-c5cnc(N6CCC(O)C6)nc5Cl)cc4)C3)n2)cc1OC,LUZJJZYYDIYUMA-UHFFFAOYSA-N
-rxn:4:212732:222615,CC(C)Cc1cc(-c2ccc(S(=O)(=O)c3ccc(C(=O)N4CCN(Cc5ccccc5)CC4)cn3)cc2)cc(C2CCNCC2)c1,BXPVTYAKIWONOV-UHFFFAOYSA-N
-rxn:4:212768:226281,CCOC(=O)c1nc(-c2ccc(CC(=O)N(C)C)cc2)n2c1CN(C(=O)OC(C)(C)C)CC2,SSEGKWCDFRDXKA-UHFFFAOYSA-N
-rxn:4:212775:225115,CCOc1c(Cl)cc(-c2ccc3c(c2)sc(=NC(=O)CN2C(=O)CCC2=O)n3CCOC)cc1OC(C)C,AHKCKYVTBCPNBI-UHFFFAOYSA-N
-rxn:4:212782:224178,COC(=O)Cn1c(=NC(=O)c2ccccc2-c2cccc(OCCN3CCN(C)CC3)c2)sc2cc(S(N)(=O)=O)ccc21,CVPPSPONNRLJPO-UHFFFAOYSA-N
-rxn:4:212843:226497,CCN(CC)c1cc(-c2ccc(N3CCN(C)CC3)c3c2CC[C@@H](N(Cc2ccccc2)Cc2ccccc2)C3)cnc1Cl,ZWMIHORCQXFNOC-JGCGQSQUSA-N
-rxn:4:212903:224458,CC1CCN(C(C)c2ccc(-c3cnn(C)c3CN(C)C(=O)OC(C)(C)C)cc2)CC1,ZNXMFRGYNIEAHV-UHFFFAOYSA-N
-rxn:4:212938:224597,CCC(=O)N1CCCC(COc2ncc(-c3cc(C4CC4)cc(N4CCOCC4)c3)cn2)C1,GOEUJVDZZMJEEV-UHFFFAOYSA-N
-rxn:4:212988:223659,CC(C)(C)OC(=O)N1CCC(Cn2cc(-c3nc(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)cs3)cn2)CC1,KQADIFDDHZXQCM-UHFFFAOYSA-N
-rxn:4:212989:222589,CC(C)(C)OC(=O)N1CCN(C(=O)c2cnc(-c3ccc(OCCN4CCC(O)CC4)c(Cl)c3)s2)CC1,GDIPJBVIVLJXPG-UHFFFAOYSA-N
-rxn:4:212989:223178,CONC(=O)c1ccc(F)c(-c2ncc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)s2)c1,LHQFDUCLWOGIKZ-UHFFFAOYSA-N
-rxn:4:213011:222584,CC(C)C(=O)N1CCCC(COc2ncc(-c3ccc(OCCCN4CCNCC4)c(F)c3)cn2)C1,YJRJAILWVYWCJJ-UHFFFAOYSA-N
-rxn:4:213079:226473,CN(C)CCOc1ncccc1-c1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cn1,WDOUAEKHDKDGEK-UHFFFAOYSA-N
-rxn:4:213081:227332,CC(C)Oc1ccc(Cl)cc1-c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)c(C#N)c1,PQKJERXZTIWHPJ-UHFFFAOYSA-N
-rxn:4:213114:225330,COC(=O)c1cc(-c2cnc(OC3CCCN(S(=O)(=O)Cc4ccc(F)cc4)C3)nc2)cc(C(=O)OC)n1,MZBWOFJDIMAWAS-UHFFFAOYSA-N
-rxn:4:213123:222783,CC(C)(C)OC(=O)Nc1cc(-c2ccccc2CC(=O)N2CCN(c3ccnc(C(F)(F)F)c3)C(=O)C2)ccc1Cl,RZLOOPICPYDVQB-UHFFFAOYSA-N
-rxn:4:213123:222790,CC(C)(C)OC(=O)Nc1cc(Cl)cc(-c2ccccc2CC(=O)N2CCN(c3ccnc(C(F)(F)F)c3)C(=O)C2)c1,ULYJBCWZLZWIJM-UHFFFAOYSA-N
-rxn:4:213123:225666,O=C(Cc1ccccc1-c1cc(F)cc(N2CCCCC2)c1)N1CCN(c2ccnc(C(F)(F)F)c2)C(=O)C1,MSNGKLOTZQIIIK-UHFFFAOYSA-N
-rxn:4:213123:226766,Cc1ccc(OC(F)(F)F)c(-c2ccccc2CC(=O)N2CCN(c3ccnc(C(F)(F)F)c3)C(=O)C2)c1,YBZCZUFEHWHIGN-UHFFFAOYSA-N
-rxn:4:213127:225977,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3cc(Cl)cnc3N3CCOCC3)ccn2)CC1,BIZZLNQQFAOUAE-UHFFFAOYSA-N
-rxn:4:213131:223918,CN(C(=O)c1ccc(F)c(-c2cnc(OCC3CCN(C(=O)C(C)(C)C)CC3)nc2)c1)C1CCCCC1,DHTUVICHZHNUMP-UHFFFAOYSA-N
-rxn:4:213132:222584,CC(C)(C)C(=O)N1CCCC(COc2ncc(-c3ccc(OCCCN4CCNCC4)c(F)c3)cn2)C1,SNHCPIGIDPGGOI-UHFFFAOYSA-N
-rxn:4:213132:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnc(OCC4CCCN(C(=O)C(C)(C)C)C4)nc3)c(F)c2)CC1,KGKBILMEAGBZLM-ANRZFKABSA-N
-rxn:4:213141:227631,CC(C)(C)OC(=O)N1CCN(c2ccc([N+](=O)[O-])c(-c3cnc(C(C)(C)C)nc3Cl)c2)CC1,PIBOVPJGGMQMMV-UHFFFAOYSA-N
-rxn:4:213151:225761,CC(C)Cc1ccc(-c2cc(F)c([N+](=O)[O-])c(N3CCN(C(=O)OC(C)(C)C)CC3)c2)c([N+](=O)[O-])c1,PFQKWBRDEWEXTP-UHFFFAOYSA-N
-rxn:4:213162:224244,COc1ccc(S(=O)(=O)N2CCC(Oc3ncc(-c4ccc(Cl)c(C(=O)N5CCC(C)CC5)c4)cn3)CC2)cc1F,KTMZRRYYONWHOV-UHFFFAOYSA-N
-rxn:4:213173:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3ccccc3C(=O)N3CCCC(Cc4nc(C5CC5)no4)C3)ccn2)CC1,VZCGIQJOUIOSKD-UHFFFAOYSA-N
-rxn:4:213203:224087,Cc1ccc(OCC2CCN(S(=O)(=O)c3ccc(-c4cccc(OCCN5CCCCCC5)c4)cc3)CC2)nn1,XLQBOFJVPIPTNZ-UHFFFAOYSA-N
-rxn:4:213236:223844,COc1ccc(S(=O)(=O)N2CCCC(Oc3ncc(-c4ccc(S(=O)(=O)N5CCCC5)cc4C(F)(F)F)cn3)C2)cc1C,YGOATWNTMBSYLY-UHFFFAOYSA-N
-rxn:4:213265:224391,Cc1cc(S(=O)(=O)N2CCOCC2)ccc1-c1ccc(C(=O)N2CCC(N3CCC(Oc4nccs4)CC3)CC2)o1,MADWIVAJGKAKHW-UHFFFAOYSA-N
-rxn:4:213275:224702,COc1ccc(S(=O)(=O)N2CCC(c3nc(-c4ccccc4-c4cc(F)c(OC5CCCC5)c(F)c4C)no3)CC2)cc1,QLHWTRIVUFFCPM-UHFFFAOYSA-N
-rxn:4:213290:222587,O=C(N1CCCC(Oc2ncc(-c3cc(NCc4ccccc4)cc([N+](=O)[O-])c3)cn2)C1)C1(c2ccccc2)CCOCC1,LHVYRVIGHXZWBF-UHFFFAOYSA-N
-rxn:4:213320:223074,COC(=O)c1nc(-c2cccc(NS(=O)(=O)C3CC3)c2)n2c1CN(C(=O)OC(C)(C)C)CC2,LDSGZSHKXHHAMR-UHFFFAOYSA-N
-rxn:4:213353:224608,COC(=O)c1cc(OCC2CC2)cc(-c2cnccc2OC2CCN(C(=O)CN3C(=O)c4ccccc4C3=O)C2)c1,UXNGOZBFZLIUNI-UHFFFAOYSA-N
-rxn:4:213355:225553,CC(C)CS(=O)(=O)C1CN(C(=O)c2c3ccc(-c4ccc(C(=O)N(C)C(C)C)cc4)cc3nn2C)C1,QHYLYNXCFJMGHY-UHFFFAOYSA-N
-rxn:4:213394:224330,COc1cccc(C(=O)N2CCN(c3nc4ccc(-c5ccc(Cl)c(C(=O)N6CCC(=O)CC6)c5)cc4s3)CC2)c1OC,HQLFHNTWWZFPPO-UHFFFAOYSA-N
-rxn:4:213395:222701,O=C(Cn1ccc2ccc(-c3cc(C4CCCNC4)cc(C(F)(F)F)c3)cc21)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1,RGGOMNAASINXLX-UHFFFAOYSA-N
-rxn:4:213412:227720,CC(C)CS(=O)(=O)C1CCN(C(=O)c2c3ccc(-c4ccc(OC(F)F)cc4Cl)cc3nn2C)CC1,MVBSSFNYZHWPHK-UHFFFAOYSA-N
-rxn:4:213415:224660,CN1CCN(C(=O)c2ccc(-c3ccc(-n4c(SCC(=O)N5CCCCCC5)nc5c(c4=O)SCC5)cc3)cc2)CC1,DVSLNHYVZPMLIV-UHFFFAOYSA-N
-rxn:4:213660:224725,CCOC(=O)N1CCN(c2ccc(-c3ccc(C)c(S(=O)(=O)N(CC)CC)c3)cn2)CC1,BKRIUQSBODCJAP-UHFFFAOYSA-N
-rxn:4:213761:222580,O=C(C1CC=CCC1)N1CC(Cn2cc(-c3ccc(S(=O)(=O)NC4CC4)c4ccccc34)cn2)C1,CTURFWGBHMHZMX-UHFFFAOYSA-N
-rxn:4:213764:223843,CCN(CC)S(=O)(=O)c1ccc(-c2cnc(C3CCN(C(=O)OC(C)(C)C)C3)cn2)c(C(F)(F)F)c1,YICLSVZEIRQVSE-UHFFFAOYSA-N
-rxn:4:213798:222634,CC(C)(C)OC(=O)N1CCOC(c2cnc(-c3ccc(OCCNC4CCCC4)c(F)c3)cn2)C1,KAUGVFURVZQNKK-UHFFFAOYSA-N
-rxn:4:213798:225172,CC(C)(C)OC(=O)N1CCOC(c2cnc(-c3cc(CN4CCOCC4)ccc3F)cn2)C1,HBXLWTCZHNRKHL-UHFFFAOYSA-N
-rxn:4:213800:225976,CC(C)(C)OC(=O)N1CCOCC1c1cc(-c2ccnc(N3CCOCC3)c2F)ncn1,PWPFMCUQMNXBLM-UHFFFAOYSA-N
-rxn:4:213800:225978,CC(C)(C)OC(=O)N1CCOCC1c1cc(-c2ccc(N3CCOCC3)nc2F)ncn1,MKTOECAJTAQERK-UHFFFAOYSA-N
-rxn:4:213800:226583,CC(C)(C)OC(=O)N1CCOCC1c1cc(-c2ccc(CN3CCOCC3)s2)ncn1,CRZLTMWZRDPJKH-UHFFFAOYSA-N
-rxn:4:213801:225979,CC(C)(C)OC(=O)N1CCOC(c2cncc(-c3cnc(N4CCOCC4)c(Cl)c3)n2)C1,VLEXYNAOXNZQLI-UHFFFAOYSA-N
-rxn:4:213803:224015,Cc1cc(F)c(-c2cnc(C3COCCN3C(=O)OC(C)(C)C)nc2)cc1S(=O)(=O)N1CCOCC1,CCLKRELUVBNZMN-UHFFFAOYSA-N
-rxn:4:213803:225977,CC(C)(C)OC(=O)N1CCOCC1c1ncc(-c2cc(Cl)cnc2N2CCOCC2)cn1,RZLWVZQJYJXMOT-UHFFFAOYSA-N
-rxn:4:213803:225984,CC(C)(C)OC(=O)N1CCOCC1c1ncc(-c2cnc(Cl)c(N3CCOCC3)c2)cn1,FDOAFAIFFLDXBS-UHFFFAOYSA-N
-rxn:4:213805:223508,CC(C)(C)OC(=O)N1CCOC(c2ncc(-c3ccc(N4CCN(S(=O)(=O)c5ccc(Cl)cc5)CC4)nc3)cn2)C1,CRXVJSWZXJXVQO-UHFFFAOYSA-N
-rxn:4:213805:225975,CC(C)(C)OC(=O)N1CCOC(c2ncc(-c3ccnc(N4CCOCC4)c3Cl)cn2)C1,PMNUTKABWSMHKE-UHFFFAOYSA-N
-rxn:4:213805:225976,CC(C)(C)OC(=O)N1CCOC(c2ncc(-c3ccnc(N4CCOCC4)c3F)cn2)C1,FBMZNQRSPGNJNW-UHFFFAOYSA-N
-rxn:4:213805:225978,CC(C)(C)OC(=O)N1CCOC(c2ncc(-c3ccc(N4CCOCC4)nc3F)cn2)C1,KOJSXNZXGQBEOF-UHFFFAOYSA-N
-rxn:4:213805:225979,CC(C)(C)OC(=O)N1CCOC(c2ncc(-c3cnc(N4CCOCC4)c(Cl)c3)cn2)C1,FELRSFUQFUBLLX-UHFFFAOYSA-N
-rxn:4:213805:225984,CC(C)(C)OC(=O)N1CCOC(c2ncc(-c3cnc(Cl)c(N4CCOCC4)c3)cn2)C1,BYKARIPDFKDQBL-UHFFFAOYSA-N
-rxn:4:213831:224379,CC(C)CN1CCCC(Cn2cc(-c3ccccc3S(=O)(=O)N3CCN(C)CC3)cn2)C1,UCOMDPNPFZCROK-UHFFFAOYSA-N
-rxn:4:213863:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(S(=O)(=O)N2CCCC(Oc3ncccn3)C2)cc1,JJSFFUIPEUTFQP-UHFFFAOYSA-N
-rxn:4:213874:225009,Cc1cnc(OC2CCCCC2)c(-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)c1,FBBSCVWSNNPDDM-UHFFFAOYSA-N
-rxn:4:213879:224076,CC(C)(C)OC(=O)N1CCN(c2cccnc2-c2ccc3c(ccn3[Si](C)(C)C(C)(C)C)c2)CC1,NLLCSQALKPPHFX-UHFFFAOYSA-N
-rxn:4:213880:225980,CC(C)(C)OC(=O)N1CCN(c2cnccc2-c2cc(N3CCOCC3)ncc2F)CC1,JGYWLPPXRQAELY-UHFFFAOYSA-N
-rxn:4:213892:225975,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2ccnc(N3CCOCC3)c2Cl)CC1,RCMLVLMCSHMZEW-UHFFFAOYSA-N
-rxn:4:213894:225282,CCC(C)c1ncc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2)cc1C(F)(F)F,UCTUIGPLQGJDJJ-UHFFFAOYSA-N
-rxn:4:213897:223059,CC(C)(C)OC(=O)N1CCN(c2ccncc2-c2ccc(N3CCNCC3)cc2Cl)CC1,VYNOFIKFYDDQLB-UHFFFAOYSA-N
-rxn:4:213897:223065,CC(C)(C)OC(=O)N1CCN(c2ccncc2-c2ccc(N3CCNCC3)cc2F)CC1,FXEFOHVOMWAUMG-UHFFFAOYSA-N
-rxn:4:213920:222546,O=[N+]([O-])c1cccc(-c2ccc(OCCNC3CCCCC3)c(F)c2)c1N1CCN(Cc2ccccc2)CC1,VSFIQGZUCLJALN-UHFFFAOYSA-N
-rxn:4:213927:224330,Cc1cc(OC2CCN(C(=O)c3ccc(-c4ccc(Cl)c(C(=O)N5CCC(=O)CC5)c4)o3)CC2)nc(C)n1,KMJOZWMZJREUEE-UHFFFAOYSA-N
-rxn:4:213937:223899,COc1cc(N2CCN(S(=O)(=O)c3ccccc3-c3ccc(C(=O)N(C(C)C)C(C)C)cc3OC)CC2=O)ccn1,IFFVSXQPPQJGRB-UHFFFAOYSA-N
-rxn:4:213986:223761,Cc1cc(-c2ccc(C3CCCN3C(=O)OC(C)(C)C)cc2)cnc1N1CCN(C(=O)OC(C)(C)C)CC1,RFSBRKIWWGZIHS-UHFFFAOYSA-N
-rxn:4:213995:222464,CC(C)c1ccc(NC(=O)c2ccc(-c3ccc(N4CCN(C)CC4)nc3C(=O)OC(C)(C)C)cc2)cc1,OGPMLNLLEYDVSZ-UHFFFAOYSA-N
-rxn:4:214001:227500,CCN(C)c1ncc(-c2cnc(N3CCN(C(=O)OC(C)(C)C)C(C)C3)c(F)c2)cc1Cl,SHSGNRPNAFNHQK-UHFFFAOYSA-N
-rxn:4:214010:222864,Cc1nn(C(=O)c2ccccc2-c2ccc(OCCNC(C)C)c(F)c2)c(C)c1S(=O)(=O)N1CCOCC1,XVGLIBUXRTWXDQ-UHFFFAOYSA-N
-rxn:4:214018:224760,CC(=O)N1N=C(c2ccc(-c3ccc(S(=O)(=O)N4CCCCC4)cc3)cc2)CC1c1ccc(N(C)C)cc1,OILIQYKKOZSVFH-UHFFFAOYSA-N
-rxn:4:214028:223816,C[Si](C)(C)CCOCn1c(-c2cc(C(F)(F)F)cnc2N2CCOC(C(=O)N3CCCCC3)C2)cc2c(Cl)ccnc21,WJQGFNREJNEYPC-UHFFFAOYSA-N
-rxn:4:214029:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cnc(N4CCCC(C(=O)N5CCSCC5)C4)c(C(F)(F)F)c3)ccn2)CC1,SYNNSIZMVDAYGJ-UHFFFAOYSA-N
-rxn:4:214033:227093,CC(C)[C@H]1COC(c2cc(-c3cccnc3C3CCCC3)cc(C3=N[C@@H](C(C)C)CO3)n2)=N1,KUHKGDZPYHLMLD-DNQXCXABSA-N
-rxn:4:214037:224707,COC(=O)c1cc(Cl)cc2cc(-c3ccc(N4CC(C(=O)N5CCN(S(C)(=O)=O)CC5)CC4=O)cc3)cnc12,UWUVPGHPIRZPRL-UHFFFAOYSA-N
-rxn:4:214047:226110,Cc1ccc(OCC(C)C)c(-c2cnc(N3CCN(C(=O)OC(C)(C)C)C(C)C3)cc2C)c1,POUXBPAMCZZJNG-UHFFFAOYSA-N
-rxn:4:214059:226511,CC(C)(C)OC(=O)N1CC2(CCN(c3ccc(-c4cc(Cl)cnc4OCC4CC4)cn3)CC2)C1,ZRWSAKLMQQLKOJ-UHFFFAOYSA-N
-rxn:4:214072:226352,Cc1cc(-c2cccc(N3C(=O)CC(N4CCN(Cc5ccccc5)CC4)C3=O)c2)c(Cl)cc1OC(C)C,RBUMDLVCDLLGPQ-UHFFFAOYSA-N
-rxn:4:214078:223030,CCN1CCN(Cc2ccc(-c3cccc(NC(=O)OC(C)C)c3)cc2N2CCCCC2)CC1,RAWYJGRNXGMANT-UHFFFAOYSA-N
-rxn:4:214085:222441,Cc1ccc([N+](=O)[O-])cc1N1C(=O)C(=Cc2ccc(-c3ccc(C(=O)Nc4ccc(C(C)(C)C)cc4)cc3)cc2)N=C1C1CCCCC1,BYOMSWMFZLIPBO-UHFFFAOYSA-N
-rxn:4:214146:222746,CC(C)(C)OC(=O)NCc1ccc(-c2c(C(F)(F)F)nc3n2CCN(C(=O)OC(C)(C)C)C3)cc1,XIJDDPQQDJUTOY-UHFFFAOYSA-N
-rxn:4:214190:224253,CC(=O)N1CCN(C(=O)Cn2ccc3c(-c4ccc(F)c(C(=O)N5CCCCC5C)c4)cccc32)CC1,ZDLBHRRVKOUXBO-UHFFFAOYSA-N
-rxn:4:214231:225977,CC(C)(C)OC(=O)N1CCOC(c2cn3c(-c4cc(Cl)cnc4N4CCOCC4)cccc3n2)C1,WSVGQHOIFDBAFU-UHFFFAOYSA-N
-rxn:4:214256:224614,CN(C(=O)OC(C)(C)C)c1ccc(-c2nn(C3CCOC3)c3c2CN(C(=O)OC(C)(C)C)CC3)cc1,XASQBKOZRZXXNH-UHFFFAOYSA-N
-rxn:4:214276:222826,CC(C)(C)OC(=O)N1CCC(c2cc3cc(-c4cccc(S(=O)(=O)N5CCNCC5)c4)cnc3[nH]2)CC1,IXUZSAYXDLRCDP-UHFFFAOYSA-N
-rxn:4:214704:224804,CC(C)Oc1ccc(-c2ccc([N+](=O)[O-])cc2CN2CCN(C)CC2)cc1OC(F)(F)F,MKLNHJWFVCNGHG-UHFFFAOYSA-N
-rxn:4:214761:223592,Cc1cnccc1OC1CCN(c2ncc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)cc3Cl)cc2F)C1,NPEIGUHRXFZJIP-UHFFFAOYSA-N
-rxn:4:214762:224022,CC(C)N1CCN(Cc2ccc(-c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)nc2)CC1,OBRQQYGGYVXJAG-UHFFFAOYSA-N
-rxn:4:214779:223574,CC(C)(C)OC(=O)N1CCN(Cc2cccc(-c3cnn(-c4ccc(S(=O)(=O)N5CCCCC5)cc4)c3)c2)CC1,HFNLWBIHGZSUEI-UHFFFAOYSA-N
-rxn:4:214820:224672,CCN1CCN(c2ccc(-c3cnc(N4CCOC(C(=O)N5CCCC5)C4)c(F)c3)c(Cl)c2)CC1,BTRVJKZPEKXKHU-UHFFFAOYSA-N
-rxn:4:214829:222684,O=C(C1CN(c2ncccc2-c2ccc(OCCN3CCNCC3)c(Cl)c2)CCO1)N1CCSCC1,PFSOLTZNRWSWGW-UHFFFAOYSA-N
-rxn:4:214833:223694,CCN1CCN(S(=O)(=O)c2cc(-c3cnccc3N3CCN(c4cccc(OC)c4)CC3)c(F)cc2C)CC1,QPWKJRREQMIDNS-UHFFFAOYSA-N
-rxn:4:214835:222933,CC(C)(C)OC(=O)Nc1ncc(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCOCC3)C2)cn1,OBKHIKMRIBRVBZ-UHFFFAOYSA-N
-rxn:4:214835:223595,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cc(Cl)cnc3N3CCOC(C(=O)N4CCOCC4)C3)cc2F)CC1,HVVUXDMGFCBDRM-UHFFFAOYSA-N
-rxn:4:214836:224974,CN1CCN(Cc2ccccc2-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCSCC3)C2)CC1,FJMGKAPOAFMQKZ-UHFFFAOYSA-N
-rxn:4:214837:222916,O=C(NC1=NCCS1)c1cccc(-c2cnc(N3CCOC(C(=O)N4CCSCC4)C3)c(Cl)c2)c1,VKAGRVPVFVYNIP-UHFFFAOYSA-N
-rxn:4:214838:227218,O=C(C1CN(c2ncc(-c3ccccc3OCCCF)cc2F)CCO1)N1CCOCC1,LUEDQAFZFBWXAI-UHFFFAOYSA-N
-rxn:4:214852:224392,Cc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1cncc(C(=O)N2CCC(N3CCCC3)CC2)c1,LBTGJIMEGLIJNT-UHFFFAOYSA-N
-rxn:4:214853:222942,N#Cc1c(-c2ccc(S(=O)(=O)NC3CC3)c(F)c2)cccc1N1CCN(C2CCCC2)CC1,BFZCPGSDXNXJTR-UHFFFAOYSA-N
-rxn:4:214862:222634,O=C(c1cncc(-c2ccc(OCCNC3CCCC3)c(F)c2)c1)N1CCCN(C2CCSC2)CC1,HWXMQWXKYVKSHM-UHFFFAOYSA-N
-rxn:4:214865:222634,O=C(C1CCCN(c2ncccc2-c2ccc(OCCNC3CCCC3)c(F)c2)C1)N1CCOCC1,DNMYAJNTBZIHSN-UHFFFAOYSA-N
-rxn:4:214868:226255,CCCCOc1ccc(Cl)cc1-c1cccnc1N1CCOC(C(=O)N2CCCCC2)C1,LIMUZFSLWCPVEQ-UHFFFAOYSA-N
-rxn:4:214870:226286,CC(C)COc1cc(-c2cc(Cl)cnc2N2CCCC(C(=O)N3CCOCC3)C2)ccc1Cl,MTBCWHWAPFAFFN-UHFFFAOYSA-N
-rxn:4:214871:223178,CONC(=O)c1ccc(F)c(-c2cnc(N3CCCC(C(=O)N4CCOCC4)C3)c(Cl)c2)c1,CAGBKMUKOCLIKY-UHFFFAOYSA-N
-rxn:4:214872:226249,CCCCOc1cc(Cl)cc(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCCCC3)C2)c1,QIULAJSLFJYFJP-UHFFFAOYSA-N
-rxn:4:214873:222988,Cc1cc(-c2cnc(N3CCCC(C(=O)N4CCOCC4)C3)c(F)c2)cc(C2CCNCC2)n1,CZNWRCMWDVKDHY-UHFFFAOYSA-N
-rxn:4:214873:223595,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(N4CCCC(C(=O)N5CCOCC5)C4)c(F)c3)cc2F)CC1,KLOAOYZERYJTMF-UHFFFAOYSA-N
-rxn:4:214886:225525,CCOC(=O)CCc1ccccc1-c1cnc(N2CCC(C(=O)N3CCC(F)(F)CC3)CC2)c(F)c1,YSXBHXRNHWZQFW-UHFFFAOYSA-N
-rxn:4:214890:223951,CN1CCN(CCOc2ccc(-c3cncc(C(=O)N4CCCN(C5CCSCC5)CC4)c3)cc2F)CC1,LJZHIOGXVMAERB-UHFFFAOYSA-N
-rxn:4:215054:224864,CC(C)N(Cc1ccc(-c2ncn3c2CCN(C(=O)OC(C)(C)C)C3=O)cc1)C(C)C,CHIXJJGEPDOJES-UHFFFAOYSA-N
-rxn:4:215058:224712,CC(=O)OC(OC(C)=O)c1ccc(-c2cnc3n2CCN(C(=O)OC(C)(C)C)C3)cc1,FLHNJFFTXGMPJB-UHFFFAOYSA-N
-rxn:4:215066:223896,COc1cccc(-c2cnn3c2N(C(=O)OC(C)(C)C)CCC3)c1C(=O)N(C(C)C)C(C)C,ZEDIBBLZWXVGQY-UHFFFAOYSA-N
-rxn:4:215066:224301,CC(C)(C)OC(=O)N1CCCn2ncc(-c3cc(O[Si](C)(C)C(C)(C)C)cc(F)c3F)c21,GNGFQWRVVAEBCU-UHFFFAOYSA-N
-rxn:4:215067:223822,CC1c2[nH]nc(-c3cc(C(F)(F)F)ccc3C(=O)OCC(C)(C)C)c2CN1C(=O)OC(C)(C)C,UIAJWEICGCCPQX-UHFFFAOYSA-N
-rxn:4:215148:223774,COc1cccc2c1cc(-c1ncc3n1CC(C)(C)N(C(=O)OC(C)(C)C)C3)n2C(=O)OC(C)(C)C,KBXCYZYTISBIAB-UHFFFAOYSA-N
-rxn:4:215148:223844,CC(C)(C)OC(=O)N1Cc2cnc(-c3ccc(S(=O)(=O)N4CCCC4)cc3C(F)(F)F)n2CC1(C)C,AGZYBHDRQHLTQT-UHFFFAOYSA-N
-rxn:4:215148:225882,CC(C)(C)OC(=O)N1Cc2cnc(-c3cnc(Cl)c(C4CCOCC4)c3)n2CC1(C)C,LHYXYZJMXNZBBK-UHFFFAOYSA-N
-rxn:4:215153:223839,COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1ccc(CN2CCC3CN(c4ccccn4)CC32)o1,USUBACNMFMOUJA-UHFFFAOYSA-N
-rxn:4:215170:223222,CC(=O)NCc1ccc(-c2cncc(C(=O)N3CC(N4C(=O)C5CC=CCC5C4=O)C3)c2)cc1,MPYZYDSDSBGPTC-UHFFFAOYSA-N
-rxn:4:215214:225043,CC(C)(C)OC(=O)N1CCOCC2(Cc3ncc(-c4ccc(OC5CCCCC5)c(F)c4)n3C2)C1,OJPLNCMNAFYXHH-UHFFFAOYSA-N
-rxn:4:215216:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2ccc3nc(N4CCCC(C(=O)N5CCOCC5)C4)sc3c2)CC1,OGZRWUXKGXVOSX-UHFFFAOYSA-N
-rxn:4:215400:223522,Cc1c(-c2cc(F)cc(N3CCC(O[Si](C)(C)C(C)(C)C)CC3)c2)c(CC#N)nn1C,GFTVNEVLRVLRKZ-UHFFFAOYSA-N
-rxn:4:215439:223540,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1cnc(N(C)C(C)=O)nc1,XKSWTBKZXKDNOF-UHFFFAOYSA-N
-rxn:4:215849:223789,COC(=O)c1cc(O[Si](C)(C)C(C)(C)C)cc(-c2cn(C)nc2CN2CCC(F)(F)CC2)c1,OASSSSLXJJVIHL-UHFFFAOYSA-N
-rxn:4:215957:223784,CCN1CCN(CCOc2ccc(-c3cccnc3N3CCC(N(C)C)CC3)cc2F)CC1,XWDNJAWFGZOHCK-UHFFFAOYSA-N
-rxn:4:215964:223508,CC1CCCN(c2cc(-c3ccc(N4CCN(S(=O)(=O)c5ccc(Cl)cc5)CC4)nc3)nc(C3CC3)n2)C1,AGGREKJNIYLUBI-UHFFFAOYSA-N
-rxn:4:215968:223508,CC1CCCCN1c1cc(-c2ccc(N3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)nc2)nc(C2CC2)n1,FWWQOOSEBDTJLF-UHFFFAOYSA-N
-rxn:4:215974:224458,CC1CCN(C(C)c2ccc(-c3ccc(N4CCC(N5CCOCC5)C4)nc3)cc2)CC1,QOXFTKLCKQKAMI-UHFFFAOYSA-N
-rxn:4:215990:222457,CN1CCC(N2CCN(c3ccc(-c4cccc(NC(=O)c5cccc(C(F)(F)F)c5)c4)cc3)CC2)CC1,WJPOZJPWSNIJLK-UHFFFAOYSA-N
-rxn:4:216294:222856,COc1ccc(C2CCNCC2)cc1-c1ccc2c(c1)OCCn1cc(N3C(=O)OC[C@H]3C(F)F)nc1-2,OYCDKGKDYFSLEO-NRFANRHFSA-N
-rxn:4:217792:223670,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2csc3c(N4CCOCC4)nc(Cl)nc23)CC1,DSLLMDADKYXLCS-UHFFFAOYSA-N
-rxn:4:217851:223648,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3nn(C4CCCCO4)c4c(Cl)cncc34)cc2)CC1,FZRVBKPSATZXFW-UHFFFAOYSA-N
-rxn:4:217889:223694,CCN1CCN(S(=O)(=O)c2cc(-c3cnc(N4C5CCC4CC(=C4CC4)C5)nc3)c(F)cc2C)CC1,ZALLYARDGPKSKL-UHFFFAOYSA-N
-rxn:4:217890:223595,Cc1cc(C2CCCCC2)n2nc(C)c(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)c(F)c3)c2n1,YJFNZCFOIZONEV-UHFFFAOYSA-N
-rxn:4:218587:225672,N#Cc1ccc(S(=O)(=O)N2CCC(COc3ncc(-c4cc(F)nc(C5CCCCC5)c4)cn3)CC2)cc1,MCVSDLNGMWNQTQ-UHFFFAOYSA-N
-rxn:4:218587:225852,N#Cc1ccc(S(=O)(=O)N2CCC(COc3ncc(-c4cnc(C5CCCCC5)nc4Cl)cn3)CC2)cc1,CUVRMZIAGGFNMI-UHFFFAOYSA-N
-rxn:4:218618:223971,COc1ccc(CCC(=O)N2CCC(n3ccnn3)CC2)cc1-c1cc(N2CCC(C)CC2)cc(C(F)(F)F)c1,RBPXTDZCJODOGJ-UHFFFAOYSA-N
-rxn:4:218631:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1cnc(OCC2CCN(C3CCN(CC(F)(F)F)C3=O)CC2)nc1,QPMHPRSXZGELDK-UHFFFAOYSA-N
-rxn:4:218652:222700,CN(CC1CCN(C(=O)OC(C)(C)C)CC1)c1cnc(-c2ccc(C(F)(F)F)cc2C2CCCNC2)cn1,CGPUJNJBYQZWBW-UHFFFAOYSA-N
-rxn:4:218666:224820,CC(C)(C)c1ccc(OCC2CCN(C(=O)c3cncc(-c4cccc(S(=O)(=O)N5CCOCC5)c4)c3)C2)nn1,JXLXUNMGMXISCJ-UHFFFAOYSA-N
-rxn:4:218677:222622,CCOc1ccc(-c2ccc(N3CCN(C(=O)c4ccc(-c5cc(C(C)CC)nc(C6CCCNC6)c5)o4)CC3)nn2)cc1,YPYMWHMCRJFGFX-UHFFFAOYSA-N
-rxn:4:218682:225975,CC(=O)N1CCC(C(=O)N2CCCC(COc3ncc(-c4ccnc(N5CCOCC5)c4Cl)cn3)C2)CC1,LMIBBTUZBSTHSJ-UHFFFAOYSA-N
-rxn:4:218704:225977,Cc1cc(Cl)ccc1OCC(=O)N1CCCN(c2cc(-c3ccc(-c4cc(Cl)cnc4N4CCOCC4)cc3)n[nH]2)CC1,MXYHMTKOZMYUGM-UHFFFAOYSA-N
-rxn:4:218709:225975,COc1cc(OC)cc(C(=O)N2CCCN(c3cc(-c4ccc(-c5ccnc(N6CCOCC6)c5Cl)cc4)n[nH]3)CC2)c1,GRGQGKAKCFZDLE-UHFFFAOYSA-N
-rxn:4:218775:222754,COc1ccc(C(=O)NC(C)(C)C)c(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCCCCC4)CC3)c2)c1,ASJGPQMZIXPFDK-UHFFFAOYSA-N
-rxn:4:218775:227266,CCOCc1cc(F)ccc1-c1ccc2c(ccn2CC(=O)N2CCN(CC(=O)N3CCCCCC3)CC2)c1,YHUCZWRDXQKRND-UHFFFAOYSA-N
-rxn:4:218787:223550,CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C2CCCCC2)c1=NC(=O)c1cccc(-c2ccccc2COc2c(C(C)C)cccc2C(C)C)c1,GJLYSEZBYCDCID-UHFFFAOYSA-N
-rxn:4:218824:224691,CN(CC1CN(c2ncc(-c3ccc(C(=O)N4CC5(COC5)C4)cc3)cn2)C1)S(=O)(=O)C1CC1,LTBUXFWPBMEOLR-UHFFFAOYSA-N
-rxn:4:218857:222748,Cn1cc(C(=O)N2CCC(Oc3ccncc3-c3cccc(C(=O)NCC4CCCO4)c3)C2)c(C(F)F)n1,GUGUQIIJOYDMSQ-UHFFFAOYSA-N
-rxn:4:218867:226125,COCc1cc(-c2cccc(-c3noc(COC(=O)C4=CN(C)S(=O)(=O)N=C4C)n3)c2)cc(C2CC2)c1,YINZQVPECSSVNV-UHFFFAOYSA-N
-rxn:4:218904:223540,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1cnc(OCC2CCN(Cc3coc(C)n3)CC2)nc1,NVFIGQCIAVMUHV-UHFFFAOYSA-N
-rxn:4:218964:226227,COCCCOc1ccc(-c2cnn(CC3CN(C(=O)C4CCN(C(C)=O)CC4)C3)c2)cc1,AHMNAGPQCGXFPG-UHFFFAOYSA-N
-rxn:4:218993:223532,Cc1nc(C)c(CN2CCC(COc3ncc(-c4cc(F)cc(CN5CCN(C(=O)OC(C)(C)C)CC5)c4)cn3)CC2)s1,AYWXCNHPTDEYKG-UHFFFAOYSA-N
-rxn:4:218993:223670,Cc1nc(C)c(CN2CCC(COc3ncc(-c4cccnc4N4CCN(C(=O)OC(C)(C)C)CC4)cn3)CC2)s1,SXHDIADHWUUQBJ-UHFFFAOYSA-N
-rxn:4:218998:226231,CCCCOc1ncc(-c2cnc(OCC3CCCN(C(=O)N4CCOCC4)C3)nc2)cc1C,NAHGWMCDEZHXND-UHFFFAOYSA-N
-rxn:4:219013:226470,CCOC(=O)CCc1cc(-c2cncc([N+](=O)[O-])c2N2CCN(C(=O)OC(C)(C)C)C(C)C2)cs1,SPUZRXRQKAITKT-UHFFFAOYSA-N
-rxn:4:219043:228360,CC(C)c1ncc(-c2cn(C)nc2CN2CCN(C(=O)OC(C)(C)C)C(C)C2)c(Cl)n1,MIHVXMMSPUEBAO-UHFFFAOYSA-N
-rxn:4:219046:227252,CCCOc1cc(-c2cnc(OCC3CCCN(C4CCN(C5CC5)C4=O)C3)nc2)ccc1Cl,BZMAQKUTCPOOOC-UHFFFAOYSA-N
-rxn:4:219046:227332,CC(C)Oc1ccc(Cl)cc1-c1cnc(OCC2CCCN(C3CCN(C4CC4)C3=O)C2)nc1,NTTAJERIOGIPFO-UHFFFAOYSA-N
-rxn:4:219053:225170,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cncc(-c4cc(F)ccc4CN4CCOCC4)c3)cn2)CC1,USSDRDNERGFKPV-UHFFFAOYSA-N
-rxn:4:219053:225172,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cncc(-c4cc(CN5CCOCC5)ccc4F)c3)cn2)CC1,BVOMXUDGBJRIIJ-UHFFFAOYSA-N
-rxn:4:219053:225175,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cncc(-c4ccc(F)c(CN5CCOCC5)c4)c3)cn2)CC1,ICFRXCMWWBNWJB-UHFFFAOYSA-N
-rxn:4:219053:225176,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cncc(-c4ccc(CN5CCOCC5)c(Cl)c4)c3)cn2)CC1,LODKIYLYBWNIRE-UHFFFAOYSA-N
-rxn:4:219053:225187,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cncc(-c4cc(Cl)ccc4CN4CCOCC4)c3)cn2)CC1,KXVXFTAFHCQERP-UHFFFAOYSA-N
-rxn:4:219053:225188,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cncc(-c4ccc(Cl)c(CN5CCOCC5)c4)c3)cn2)CC1,KADMIYRJHOWUKE-UHFFFAOYSA-N
-rxn:4:219053:225870,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cncc(-c4cc(F)cc(N5CCOCC5)c4)c3)cn2)CC1,ZFSBUZVSAJLQPV-UHFFFAOYSA-N
-rxn:4:219053:225874,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cncc(-c4ccc(F)c(N5CCOCC5)c4)c3)cn2)CC1,MOQCDNYWDSEBKO-UHFFFAOYSA-N
-rxn:4:219053:225877,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cncc(-c4ccc(Cl)cc4N4CCOCC4)c3)cn2)CC1,RUTJZZNRRCSVKP-UHFFFAOYSA-N
-rxn:4:219053:225878,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cncc(-c4cc(Cl)cc(N5CCOCC5)c4)c3)cn2)CC1,NOWREOICRJBGSI-UHFFFAOYSA-N
-rxn:4:219053:225879,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cncc(-c4ccc(N5CCOCC5)cc4F)c3)cn2)CC1,AMNGEHCDRUKQAH-UHFFFAOYSA-N
-rxn:4:219053:225882,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cncc(-c4cnc(Cl)c(C5CCOCC5)c4)c3)cn2)CC1,WGTDQPBDNZASMX-UHFFFAOYSA-N
-rxn:4:219053:225883,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cncc(-c4cnc(C5CCOCC5)c(Cl)c4)c3)cn2)CC1,ORYIYXUCECOZGM-UHFFFAOYSA-N
-rxn:4:219061:223872,CCN(C(=O)c1cccc(-c2cnc(OC3CCCN(C(=O)C4CCN(S(C)(=O)=O)CC4)C3)nc2)c1)C1CCCCC1,GPLPFNYIPYOABK-UHFFFAOYSA-N
-rxn:4:219061:227482,CCCOc1cc(-c2cnc(OC3CCCN(C(=O)C4CCN(S(C)(=O)=O)CC4)C3)nc2)c(Cl)cn1,LRAXWOFTXPSCIP-UHFFFAOYSA-N
-rxn:4:219068:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3ccc(-c4ccc(=O)n(CC(=O)N5CCN(c6ccccc6)CC5)n4)cc3)cc2)CC1,DAVSACGGSVNVPC-UHFFFAOYSA-N
-rxn:4:219075:222654,COc1ccc(-c2cc(N3CCCN(C(=O)c4cccc(-c5ccc(Cl)c(C(=O)NC6CCCCC6)c5)c4)CC3)[nH]n2)cc1,HCLDVULDCPOVPP-UHFFFAOYSA-N
-rxn:4:219130:224325,COc1ccc2[nH]c(CN3CCN(C(=O)c4ccc(-c5ccc(C6=CCN(S(C)(=O)=O)CC6)cc5)o4)CC3)nc2c1,HHFMLZJJGRJRBC-UHFFFAOYSA-N
-rxn:4:219155:224459,Cc1cnc(OCC23CCCC2CN(C(=O)c2cncc(-c4ccc(N5CCCC5)c(C(C)(C)C)c4)c2)C3)nc1,URFUXNYREMMBPU-UHFFFAOYSA-N
-rxn:4:219176:223693,COc1ccc(C2=NN(C(=O)c3ccc(-c4cc(O[Si](C)(C)C(C)(C)C)cc(C(F)(F)F)c4F)cc3)C(c3nc4ccccc4[nH]3)C2)cc1,VSUHKUQUYXGHQC-UHFFFAOYSA-N
-rxn:4:219184:225313,CCCN1CCN(C(=O)c2cc3n(n2)CC(c2ccc(-c4ccc(N5CCN(C)CC5)nc4F)cc2)OC3)CC1,LGXPVZOJFOPRMO-UHFFFAOYSA-N
-rxn:4:219271:222451,COc1ccc(CNS(=O)(=O)c2ccc(-c3cnc(N4CCN(CC(F)(F)F)CC4)c([N+](=O)[O-])c3)cc2)cc1,OGWUGPOXRRDHGK-UHFFFAOYSA-N
-rxn:4:219320:222604,COc1ccc(-c2cnccc2OC2CCN(c3nccc(C(F)(F)F)n3)C2)cc1S(=O)(=O)NC1CCCC1,JSVAOXNTRWHGHU-UHFFFAOYSA-N
-rxn:4:219336:225286,CC(C)(C)OC(=O)c1cnc(F)cc1-c1cnn(CC2CN(C(=O)N3CCOCC3)C2)c1,ZVRLKCIYBMRJSU-UHFFFAOYSA-N
-rxn:4:219402:223065,CC(C)(C)OC(=O)N1CCN(c2cnc(-c3ccc(N4CCNCC4)cc3F)cn2)CC1,AHILATBMODEBRD-UHFFFAOYSA-N
-rxn:4:219404:223065,CC(C)(C)OC(=O)N1CCN(c2cncc(-c3ccc(N4CCNCC4)cc3F)n2)CC1,IWKWQLNRATZJBJ-UHFFFAOYSA-N
-rxn:4:219419:225091,CCCCOc1c(OC)ccc(-c2ccc(C(=O)N3CCN(c4cc(C(F)(F)F)nc(C)n4)CC3)o2)c1F,NTCYAIQKUYXKSN-UHFFFAOYSA-N
-rxn:4:219432:222723,Cc1nc(S(=O)(=O)N2CCC(Oc3ncccc3-c3cccc(NS(=O)(=O)N4CCOCC4)c3)C2)cn1C,RPFLAUJZNVYLSI-UHFFFAOYSA-N
-rxn:4:219487:222770,CC(C)(C)OC(=O)N1CCCN(c2cnc(-c3ccc(C(=O)NC4CCCC4)c(Cl)c3)cn2)CC1,YOVRQUCMHASWPZ-UHFFFAOYSA-N
-rxn:4:219498:226231,CCCCOc1ncc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)nc2OC)cc1C,LVQLSXSBXIKJRT-UHFFFAOYSA-N
-rxn:4:219501:224753,CSc1ncc(-c2cc(S(=O)(=O)N3CCCC3)ccc2C)c(N2CCOC(C(=O)N3CCOCC3)C2)n1,GASLRRMMCOXVOD-UHFFFAOYSA-N
-rxn:4:219503:224792,Cc1ncnc(N2CCN(C(=O)Cc3ccc(-c4cc(C(F)(F)F)cnc4SCC(C)C)cc3)CC2)c1F,FNDVIKJXPPDOBV-UHFFFAOYSA-N
-rxn:4:219506:225008,COC1CCN(c2ccc(-c3ccc(S(=O)(=O)N4CCCN(S(=O)(=O)c5c[nH]cn5)CC4)cc3)cc2)CC1,YDBWFRCOFDMWST-UHFFFAOYSA-N
-rxn:4:219516:228193,CN1CC(CN2CCC(Oc3ncc(-c4cnn(C5CCCC5)c4)cn3)CC2)CC1=O,OMKXEKKHXUKHBZ-UHFFFAOYSA-N
-rxn:4:219517:225286,CN1CCC(N2CCCC(COc3ncc(-c4cc(F)ncc4C(=O)OC(C)(C)C)cn3)C2)C1=O,SLVPDRGEZUHWQI-UHFFFAOYSA-N
-rxn:4:219534:223893,CCN1CCN(CCOc2cccc(-c3cncc(C(=O)N4CCC(n5nc(C6CC6)ccc5=O)CC4)c3)c2)CC1,BUEXVQGSSNGLDN-UHFFFAOYSA-N
-rxn:4:219537:223893,CCN1CCN(CCOc2cccc(-c3ccccc3S(=O)(=O)N3CCN(c4ccc(C5CC5)nn4)CC3)c2)CC1,XDARHFSELQRVQF-UHFFFAOYSA-N
-rxn:4:219538:225889,C[Si](C)(C)CCOCn1nccc1-c1cnc(N2CCC(C(=O)N3CCC(F)(F)CC3)CC2)c(C#N)c1,YOOYMOOFLGPARY-UHFFFAOYSA-N
-rxn:4:219560:222614,Cc1nc(S(=O)(=O)N2CCCN(C(=O)c3ccccc3-c3ccc(S(=O)(=O)NC4CC4)cc3C(F)(F)F)CC2)cn1C,QUCHZMIWSJBULN-UHFFFAOYSA-N
-rxn:4:219639:224290,CC(C)(C)OC(=O)N1CCC(c2nc3ccc(-c4ccc(Cl)cc4OCCN4CCOCC4)cn3n2)C1,KCTOPXNLAZJLQB-UHFFFAOYSA-N
-rxn:4:219653:225877,CC(C)(C)OC(=O)N1CCN(c2nc3ccc(-c4ccc(Cl)cc4N4CCOCC4)nc3s2)CC1,ICVCWCRMOKLJQR-UHFFFAOYSA-N
-rxn:4:219653:225975,CC(C)(C)OC(=O)N1CCN(c2nc3ccc(-c4ccnc(N5CCOCC5)c4Cl)nc3s2)CC1,XFSIGNARVKPMQK-UHFFFAOYSA-N
-rxn:4:219653:225976,CC(C)(C)OC(=O)N1CCN(c2nc3ccc(-c4ccnc(N5CCOCC5)c4F)nc3s2)CC1,RFKYSMRMPKLICW-UHFFFAOYSA-N
-rxn:4:219654:223945,CC(C)(C)OC(=O)N1CCN(c2ncnc3sc(-c4ccc(OCCCN5CCOCC5)c(F)c4)cc23)CC1,KJGRPAZLUDJTNQ-UHFFFAOYSA-N
-rxn:4:219654:224377,CN1CCN(S(=O)(=O)c2ccc(-c3cc4c(N5CCN(C(=O)OC(C)(C)C)CC5)ncnc4s3)cc2)CC1,HBNOQKMZMWZEEU-UHFFFAOYSA-N
-rxn:4:219689:223556,CC(C)(C)OC(=O)N1CCN(c2ccc3ncc(-c4ccc5c(c4)c4ccccc4n5C(=O)OC(C)(C)C)n3c2)CC1,JDPVHJZEXWOSJX-UHFFFAOYSA-N
-rxn:4:219697:225382,O=C(Cc1ccc(-c2cc(C(F)(F)F)ccc2C(F)(F)F)cc1)N1Cc2cnc(N3CCOCC3)nc2C1,PDWHPPHBYZDSPO-UHFFFAOYSA-N
-rxn:4:219704:225975,CC(C)(C)OC(=O)N1CCN(c2cnc3ccc(-c4ccnc(N5CCOCC5)c4Cl)cc3n2)CC1,JWLBMGVABRUSMY-UHFFFAOYSA-N
-rxn:4:219704:225976,CC(C)(C)OC(=O)N1CCN(c2cnc3ccc(-c4ccnc(N5CCOCC5)c4F)cc3n2)CC1,YDZXTUAJMFDPKJ-UHFFFAOYSA-N
-rxn:4:219704:225984,CC(C)(C)OC(=O)N1CCN(c2cnc3ccc(-c4cnc(Cl)c(N5CCOCC5)c4)cc3n2)CC1,RVONNJGTOHQHPT-UHFFFAOYSA-N
-rxn:4:219706:223055,Cc1nc(N2CCNCC2)ccc1-c1cc2ncnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2cc1Cl,ZSEMQHSJKCTRAK-UHFFFAOYSA-N
-rxn:4:219706:223168,CC(C)(C)OC(=O)N1CCN(c2ncnc3cc(-c4cccnc4N4CCNCC4)c(Cl)cc23)CC1,MXGKCCATTHRJPS-UHFFFAOYSA-N
-rxn:4:219750:223580,COC(=O)c1ccc2c(c1)cc(-c1ccc(OC)cc1C(=O)N1CCCc3cnc(N4CCOCC4)nc31)n2C(=O)OC(C)(C)C,XWJLFJPREJRFHR-UHFFFAOYSA-N
-rxn:4:219867:222693,CCN1CCN(c2ncc(-c3ccc(S(=O)(=O)NC4CCCCC4)cc3)cc2[N+](=O)[O-])CC1,WECBPIPCKVDCGY-UHFFFAOYSA-N
-rxn:4:219867:223523,CCN1CCN(c2ncc(-c3ccc(S(=O)(=O)N4CCN(CC)CC4)c4ccccc34)cc2[N+](=O)[O-])CC1,UIBYYGBWKBYVHK-UHFFFAOYSA-N
-rxn:4:219904:225261,CCN(CC)S(=O)(=O)c1cccc(-c2cnc(C3CCN(S(=O)(=O)N(C)C)CC3)cn2)c1,LWIMOAQZLZMXFM-UHFFFAOYSA-N
-rxn:4:219908:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1ccc(-c2nc(C#N)c(N3CCCN(C)CC3)o2)o1,ZEVNUCRIWJYHNE-UHFFFAOYSA-N
-rxn:4:219931:224321,CC1CCN(S(=O)(=O)c2cccc(-c3cnc(N4CCCN(S(=O)(=O)C5CC5)CC4)nc3)c2)CC1,MIVTUDCSIHSQGR-UHFFFAOYSA-N
-rxn:4:220158:223743,Cc1ccc(-c2ccccc2S(=O)(=O)N2CC3CN(c4cnccn4)CC3C2)cc1OCCCN1CCC(C)CC1,ZYDUUWPBXWDQNL-UHFFFAOYSA-N
-rxn:4:220171:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3ccc4nc(N5CCN(C(=O)c6nc7ccccc7s6)CC5)sc4c3)c2)CC1,VHWCCTCFDPIEHU-UHFFFAOYSA-N
-rxn:4:220194:225200,CCc1ccc(N2C(=O)C3N=NN(c4ccc(-c5ccc(F)c(OC6CCCC6)c5F)c(C)c4)C3C2=O)cc1,ZOANCYDJRNPNEB-UHFFFAOYSA-N
-rxn:4:220221:225726,CCOC(=O)c1ccc(-c2ccc(C3Cn4nc(C(=O)N5CCN(C)CC5)cc4CO3)cc2)cc1OC,NTRYWHFJIYGPFK-UHFFFAOYSA-N
-rxn:4:220270:223597,Clc1cc(-c2ccc3c(c2)c2nc4ccccc4nc2n3CCN2CCOCC2)ccc1OCCN1CCC2(CC1)OCCO2,UHFYVWRJWPORAH-UHFFFAOYSA-N
-rxn:4:220430:225009,Cc1cnc(OC2CCCCC2)c(-c2cnc(N3CCCN(C4CCSC4)CC3)nc2)c1,VBNHONQXUYHKJQ-UHFFFAOYSA-N
-rxn:4:220521:223648,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(N4CC5C(=O)N(c6ccccc6)C(=O)C5C4)nc3)cc2)CC1,XYAKDILDNOBQCM-UHFFFAOYSA-N
-rxn:4:220935:223527,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)ccc2-c2cnc3ccc(N4CCOCC4)nn23)CC1,VKTCMPUBXUOKLK-UHFFFAOYSA-N
-rxn:4:220935:223593,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc4ccc(N5CCOCC5)nn34)cc2Cl)CC1,IVMOEWCWDVMWPU-UHFFFAOYSA-N
-rxn:4:220935:223595,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc4ccc(N5CCOCC5)nn34)cc2F)CC1,BUBWFVHYFIAELF-UHFFFAOYSA-N
-rxn:4:220936:223592,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cn4ccnc4c(N4CCOCC4)n3)c(Cl)c2)CC1,TWKCWYHLTPZLME-UHFFFAOYSA-N
-rxn:4:220936:223593,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cn4ccnc4c(N4CCOCC4)n3)cc2Cl)CC1,BXWZAZQPNCKYFT-UHFFFAOYSA-N
-rxn:4:220936:223596,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)ccc2-c2cn3ccnc3c(N3CCOCC3)n2)CC1,HZQFZMJUHOCJFX-UHFFFAOYSA-N
-rxn:4:221103:223930,Cc1cc(=O)n(CC(=O)N2CCCC(COc3ncc(-c4cc5cnn(C(=O)OC(C)(C)C)c5cc4C)cn3)C2)cn1,ARTUCHFGSYYBBW-UHFFFAOYSA-N
-rxn:4:221110:228725,CN1CCN(CC#CCOC2CCN(c3ncc(-c4cc(F)cc(C#N)c4)cn3)CC2)CC1,MLOJWYSHQLFYQF-UHFFFAOYSA-N
-rxn:4:221111:224965,O=C(C1CC(=O)N(c2cccc(-c3cccc(OCC4CCOCC4)c3)c2)C1)N1CCN(CCn2ccnc2)CC1,YMMSGDXADOGBAK-UHFFFAOYSA-N
-rxn:4:221114:224742,CCOc1ccc(-c2cc(C3OCCO3)c(OC)cc2OC)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N3CCCC3)n2)CC1,TUDBCXMONYPOLF-UHFFFAOYSA-N
-rxn:4:221149:224391,Cc1cc(S(=O)(=O)N2CCOCC2)ccc1-c1cnc(OCC2CCCN(c3ccc(C#N)cn3)C2)nc1,GZGZJQNNXVPAGU-UHFFFAOYSA-N
-rxn:4:221175:223801,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4ccc(C(F)(F)F)cc4OCc4ccccc4)cn3)C2)C(=O)C1=O,OUUAEIZDKKSHKH-UHFFFAOYSA-N
-rxn:4:221175:224193,CCN1CCN(Cc2cc(-c3cnc(OC4CCN(C(=O)N5CCN(CC)C(=O)C5=O)C4)nc3)ccc2F)CC1,PZVVRTSQUYGKRM-UHFFFAOYSA-N
-rxn:4:221177:224618,CC(C)(C)[Si](C)(C)OCc1cc(-c2cnc(N3CCC(COc4cc(C5CC5)ncn4)CC3)nc2)ccn1,TYIRFXYBCWWDQL-UHFFFAOYSA-N
-rxn:4:221178:224618,CC(C)(C)[Si](C)(C)OCc1cc(-c2cnc(N3CCC(COc4ccc(C5CC5)nn4)CC3)nc2)ccn1,YECDTWWTCVQBMJ-UHFFFAOYSA-N
-rxn:4:221180:222585,Cc1cc(C(=O)N2CCC(COc3ncc(-c4ccccc4C(=O)NCCN4CCOCC4)cn3)CC2)nn1C,AJTXYIQVBPYTQM-UHFFFAOYSA-N
-rxn:4:221194:226661,CC(C)c1nc(S(=O)(=O)N2CCC(Oc3ncc(-c4cc(N5CCN(C)CC5)cs4)cn3)CC2)cn1C,QAWWOAUJLZLAAH-UHFFFAOYSA-N
-rxn:4:221202:225218,CC1CCCN(c2ncc(-c3ccccc3C(=O)N3CCN(Cc4nncn4C4CCCCC4)CC3)cc2Cl)C1,SDXQVGJMKURMKB-UHFFFAOYSA-N
-rxn:4:221205:224761,O=S(=O)(c1cccc(-c2ccc(CCN3CCN(c4ccnc(N5CCOCC5)n4)CC3)cc2)c1)N1CCCCC1,JFWPMHLQSZOXPI-UHFFFAOYSA-N
-rxn:4:221208:224599,Cc1cc(N2CCN(CCc3ccc(-c4cc(C(=O)C5CCCCC5)ccc4F)cc3)CC2)nc(N2CCOCC2)n1,VKBOTKODQQPWBX-UHFFFAOYSA-N
-rxn:4:221214:224752,CCN(CC)C(=O)Cn1c(-c2ccc(S(=O)(=O)N3CCCC3)cc2C)nc2c1c(=O)n(C)c(=O)n2C,HQUBTZHUBRSASR-UHFFFAOYSA-N
-rxn:4:221232:223071,CCS(=O)(=O)NCc1ccc(-c2cnc(OCC3CCCN(c4nc5c(cc4C#N)COCC5)C3)nc2)cc1,BCUKVUDTUAVBHV-UHFFFAOYSA-N
-rxn:4:221232:223960,CCN1CCN(C(=O)c2cc(-c3cnc(OCC4CCCN(c5nc6c(cc5C#N)COCC6)C4)nc3)ccc2F)CC1,OGNWFNKAJDBDLO-UHFFFAOYSA-N
-rxn:4:221247:226000,CC(=O)Oc1ccc(-c2ccc(-c3nc(SCC(=O)N4CCOCC4)c4c(=O)n(C)c(=O)n(C)c4n3)cc2)cc1[N+](=O)[O-],JXNLISOPCJLKBO-UHFFFAOYSA-N
-rxn:4:221249:223058,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc4c(-c5cc(F)nc(C6CCCNC6)c5)cnn4c3)cc2)CC1,UPVRWXXWTOMQMF-UHFFFAOYSA-N
-rxn:4:221272:225975,CCCCCn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3ccnc(N4CCOCC4)c3Cl)cc2)n(C)c1=O,LDXNVZVMLAMUPZ-UHFFFAOYSA-N
-rxn:4:221353:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3cncc(C(=O)N4CCC(n5cc(C6CC6)nn5)C4)c3)c2)CC1,SCGOHHQKGJPIRP-UHFFFAOYSA-N
-rxn:4:221353:224376,CN1CCN(S(=O)(=O)c2cccc(-c3cncc(C(=O)N4CCC(n5cc(C6CC6)nn5)C4)c3)c2)CC1,ZNAUXJLSASUQRZ-UHFFFAOYSA-N
-rxn:4:221372:222584,CN(C)c1cnnc(N2CCN(C(=O)c3ccc(-c4ccc(OCCCN5CCNCC5)c(F)c4)o3)CC2)c1,ZIICAKWVNVZMSH-UHFFFAOYSA-N
-rxn:4:221375:224061,CCCC1CCC(c2ccc(-c3cnc(OCC4CCCN(c5cc(=O)n(C)cn5)C4)nc3)c(F)c2)CC1,IEKYKINWBPTTOR-UHFFFAOYSA-N
-rxn:4:221387:223787,Cc1ncnc(OCC2CCN(c3ncc(-c4ccc(OCCCN5CCN(C)CC5)c(F)c4)cn3)CC2)c1C,UHXMCCVYGXVEFD-UHFFFAOYSA-N
-rxn:4:221389:223945,Cc1ncnc(N2CCCC(COc3ncc(-c4ccc(OCCCN5CCOCC5)c(F)c4)cn3)C2)c1C,CNAINEZFLNMWIS-UHFFFAOYSA-N
-rxn:4:221392:222546,Cc1nc(C)c(F)c(OCC2CCN(c3ncc(-c4ccc(OCCNC5CCCCC5)c(F)c4)cn3)CC2)n1,CTCBPZFECATTKW-UHFFFAOYSA-N
-rxn:4:221393:222449,COc1ccc(-c2cncc(C(=O)N3CCCN(S(=O)(=O)c4cnn(C)c4)CC3)c2)cc1S(=O)(=O)NCc1ccccc1,TYJFAOIXDJRHIH-UHFFFAOYSA-N
-rxn:4:221394:223992,Cc1ccc(-c2cnc(N3CCC(Cn4nc(C5CC5)ccc4=O)CC3)nc2)cc1S(=O)(=O)N1CCN(C)CC1,AKUHVGISHPNFPU-UHFFFAOYSA-N
-rxn:4:221394:224377,CN1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCC(Cn5nc(C6CC6)ccc5=O)CC4)nc3)cc2)CC1,QIZOETNSTYTLQG-UHFFFAOYSA-N
-rxn:4:221395:222542,Cc1ccc(-c2cnc(N3CCC(Cn4cnc(C5CC5)cc4=O)CC3)nc2)cc1OCCCN1CCNCC1,JHBANGHMTZXOHI-UHFFFAOYSA-N
-rxn:4:221403:222630,CN(C)c1ccnc(N2CCN(Cc3ccccc3-c3cc(C4CCC4)nc(C4CCNCC4)c3)CC2)n1,PNJNKBIHIGZAJM-UHFFFAOYSA-N
-rxn:4:221403:224127,CCN1CCN(C(C)c2ccc(-c3ccccc3CN3CCN(c4nccc(N(C)C)n4)CC3)cc2)CC1,HIPZVZVEUBWAIT-UHFFFAOYSA-N
-rxn:4:221417:222584,Cc1cc(C)n(-c2ccc(=O)n(C3CCN(C(=O)c4ccc(-c5ccc(OCCCN6CCNCC6)c(F)c5)o4)CC3)n2)n1,DJRUTEZWONTXBI-UHFFFAOYSA-N
-rxn:4:221431:226475,CCOc1ccc(-c2ccccc2C(=O)N2CCN(c3nc(C)cc(N4CCCC4)n3)CC2)c(OCC)n1,NXLZPOPUVYNBMK-UHFFFAOYSA-N
-rxn:4:221440:226440,Cc1cc(N2CCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(F)nc(C5CCCC5)c4)cc3)CC2)n1,ZOFFRNXLRCDSFJ-UHFFFAOYSA-N
-rxn:4:221444:222598,Cc1cc(N2CCOCC2)nc(N2CCN(Cc3ccccc3-c3cc(C)c(S(=O)(=O)NC4CCCC4)c(C)c3)CC2)n1,QCXWIELPCZFQQT-UHFFFAOYSA-N
-rxn:4:221449:223311,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccc(C5CNC5)c4)cc3)CC2)n1,WUASSFFMBZGOSM-UHFFFAOYSA-N
-rxn:4:221451:222524,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccccc3-c3cc(F)c(F)cc3S(=O)(=O)N3CCC(O)CC3)CC2)n1,YLLSSKOYFOWNIU-UHFFFAOYSA-N
-rxn:4:221453:223170,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4cnc(C5CCCNC5)nc4)cc3)CC2)n1,VBIRCYKTWUSMGW-UHFFFAOYSA-N
-rxn:4:221456:227413,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cnc(C5CCC5)cc4F)cc3)CC2)n1,BXRBUAWYQLMSHW-UHFFFAOYSA-N
-rxn:4:221456:227416,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(F)nc(C5CCC5)c4)cc3)CC2)n1,JVMPTRSOVQPDNE-UHFFFAOYSA-N
-rxn:4:221481:223529,Cc1cc(C)n2c(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)c(F)c3)c(CSc3nc4cc([N+](=O)[O-])ccc4o3)nc2n1,QRZVMJFSTXYDKF-UHFFFAOYSA-N
-rxn:4:221503:223845,CN1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2cnc(OCC3CCN(c4cnc5ccccc5n4)CC3)nc2)CC1,QRBVVYVLGGMVBW-UHFFFAOYSA-N
-rxn:4:221539:223180,CONC(=O)c1ccc(-c2ccc(Cn3c(CN4CC(C)OC(C)C4)nc4c3c(=O)n(C)c(=O)n4C)cc2)cc1F,IEWQKYNDWXMSLP-UHFFFAOYSA-N
-rxn:4:221649:223506,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cccc(-c3cnn(CC4CN(c5ncnc6sccc56)C4)c3)c2)CC1,ZUTOANKKLTVQEU-UHFFFAOYSA-N
-rxn:4:221736:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cncc(C(=O)N2CC3CN(c4nc(C)nc5c4CCC5)CC3C2)c1,JOANQGDBIPXWIS-UHFFFAOYSA-N
-rxn:4:221780:226021,Cn1c(=O)n(Cc2ccc(-c3cc(Cl)ccc3OCC(F)(F)F)cc2)c(=O)c2c1nc1n2CCCN1C1CCCCC1,QEXXYNZUFLIJSS-UHFFFAOYSA-N
-rxn:4:221832:223894,CN1CCN(CCCOc2cccc(-c3cnc(N4CCN(C5=NS(=O)(=O)c6ccccc65)CC4)nc3)c2)CC1,SFJMCEGGYJTQED-UHFFFAOYSA-N
-rxn:4:221849:222546,CCn1c(=O)c2c(nc3n2CCCN3c2ccc(-c3ccc(OCCNC4CCCCC4)c(F)c3)cc2)n(C)c1=O,ZYXITGZGDYRLNY-UHFFFAOYSA-N
-rxn:4:221927:224373,CCOc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(OC)c(S(=O)(=O)N7CCCC7)c6)cc5)no4)C3C2=O)cc1,KHCXUMNOFUOYBQ-UHFFFAOYSA-N
-rxn:4:221933:222655,CN(C(=O)c1cncc(-c2ccc(C(=O)NC3CCCCC3)c(Cl)c2)c1)C1CN(c2nccnc2C#N)C1,NKWUOQCGAKLRKM-UHFFFAOYSA-N
-rxn:4:221937:222748,Cn1cc(C(=O)N2CCC(COc3ncc(-c4cccc(C(=O)NCC5CCCO5)c4)cn3)CC2)nn1,ZPPYNCWLSNEUGW-UHFFFAOYSA-N
-rxn:4:221949:223689,CCN1CCN(S(=O)(=O)c2cc(-c3cncc(C(=O)N4CCCC(Cc5nc(-c6cnccn6)no5)C4)c3)ccc2OC)CC1,OFASKRDNCCOXAU-UHFFFAOYSA-N
-rxn:4:221965:223170,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cnc(C6CCCNC6)nc5)cc4)CC3)nn2)CC1,LOARULNPMUUBFZ-UHFFFAOYSA-N
-rxn:4:221980:225877,CC(C)(C)OC(=O)N1CCN(c2cc(=O)n3nc(-c4cncc(-c5ccc(Cl)cc5N5CCOCC5)c4)sc3n2)CC1,AZNLRBUYQZGGSE-UHFFFAOYSA-N
-rxn:4:221980:225878,CC(C)(C)OC(=O)N1CCN(c2cc(=O)n3nc(-c4cncc(-c5cc(Cl)cc(N6CCOCC6)c5)c4)sc3n2)CC1,KEEXKIGQMNMLMQ-UHFFFAOYSA-N
-rxn:4:221980:225881,CC(C)(C)OC(=O)N1CCN(c2cc(=O)n3nc(-c4cncc(-c5ccc(C6CCOCC6)nc5F)c4)sc3n2)CC1,MEUYFMFRSPGCQX-UHFFFAOYSA-N
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-rxn:4:222206:222389,Cn1c(=O)c2c(nc3n2CC(c2ccc(F)cc2)=NN3Cc2ccc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)cc2)n(C)c1=O,XZKXLQJOOVIDCW-UHFFFAOYSA-N
-rxn:4:222289:222522,COc1ccc(-c2cnc(N3CCC(Cn4nc(-n5cccn5)ccc4=O)CC3)nc2)cc1S(=O)(=O)N1CCC(O)CC1,URYMMGLDBBKFJD-UHFFFAOYSA-N
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-rxn:4:222741:218587,N#Cc1ccc(S(=O)(=O)N2CCC(COc3ncc(-c4cc(C5CC5)nc(C5CCCNC5)c4)cn3)CC2)cc1,QLJXDEQKTAVKLU-UHFFFAOYSA-N
-rxn:4:222752:174428,Cc1cc(NC(=O)OC(C)(C)C)ccc1-c1ccc(SC(C)(C)C(=O)OC(C)(C)C)cc1,AYQIRQLVZKFXPP-UHFFFAOYSA-N
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-rxn:4:222943:204744,O=C(c1ccccc1-c1ccc(F)c(S(=O)(=O)NC2CC2)c1)N1CC(N2C(=O)C3CC=CCC3C2=O)C1,DSFIAWDYZMWWAU-UHFFFAOYSA-N
-rxn:4:222981:215989,CN1CCN(C2CCN(c3ccc(-c4ccnc(NC5CCCCC5)c4)cc3)CC2)CC1,LYVHZDOMNBDACR-UHFFFAOYSA-N
-rxn:4:223071:204101,CCS(=O)(=O)NCc1ccc(-c2cccc(C(=O)N3CCC(N4CCCC4)CC3)c2)cc1,MITDWHADENBHJJ-UHFFFAOYSA-N
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-rxn:5:177190:225805:227656,CCS(=O)(=O)Cc1ccc(-c2cc(N3CCOCC3)cs2)c(-c2ccc(C(C)N3CCOCC3)s2)c1,IAZDKUQUEUUSSH-UHFFFAOYSA-N
-rxn:5:177191:223001:225602,N#CC1(c2ccc(F)c(-c3ccc(CC(=O)C4CC4)c(-c4cc(C5CCCNC5)ccc4F)c3)c2)CCC1,UVTSWDDPLKJZKP-UHFFFAOYSA-N
-rxn:5:177193:223062:225800,CCOC(=O)c1cc(C)c(-c2cnc(C3CCNCC3)cc2F)cc1-c1ccc(C(=O)N2CCSC2)cc1,LPKIJUMKOZMNTI-UHFFFAOYSA-N
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-rxn:5:177730:223064:225439,CC(c1cccc(-c2ccc(-c3ccc(C4CCNCC4)nc3F)cc2C(=O)OC(C)(C)C)c1)N1CCCC1,LTQWHARGVJHYCW-UHFFFAOYSA-N
-rxn:5:177730:223133:225438,CC(c1ccc(-c2ccc(-c3ccccc3N3CCNCC3)cc2C(=O)OC(C)(C)C)cc1)N1CCCC1,BKVLXZFYWMOKLB-UHFFFAOYSA-N
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-rxn:5:177732:225439:223131,CC(c1cccc(-c2ccc(C(=O)OC(C)(C)C)cc2-c2ccc(N3CCNCC3)cc2)c1)N1CCCC1,ZNEPFBXZQALBAC-UHFFFAOYSA-N
-rxn:5:177733:223056:225982,CC(C)(C)OC(=O)c1cc(-c2ccc(N3CCC(O)CC3)nc2)cc(-c2cnc(N3CCOCC3)cc2F)c1,ZAPXZFNXEYJQRA-UHFFFAOYSA-N
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-rxn:5:180662:223058:227506,COC(=O)C1=Cc2cc(-c3cccc(/C=C/[N+](=O)[O-])c3)cc(-c3cc(F)nc(C4CCCNC4)c3)c2OC1,PBAXKLFIINAOPF-VQHVLOKHSA-N
-rxn:5:180662:223136:222409,COC(=O)C1=Cc2cc(-c3ccc(OC)c(S(N)(=O)=O)c3)cc(-c3ccncc3C3CCCNC3)c2OC1,XSVDJJWUDPTQNL-UHFFFAOYSA-N
-rxn:5:180662:223140:226148,COC(=O)C1=Cc2cc(-c3cccc(C#C[Si](C)(C)C)c3)cc(-c3ccnc(C4CCCNC4)c3)c2OC1,UYWQXBMBYVFSHS-UHFFFAOYSA-N
-rxn:5:180662:223202:222989,COC(=O)C1=Cc2cc(-c3ccc(N4CCNCC4)cc3C)cc(-c3ccc(C4(O)CCC4)cc3)c2OC1,QNAQDTAYAGIQDP-UHFFFAOYSA-N
-rxn:5:180662:223294:225976,COC(=O)C1=Cc2cc(-c3ccnc(N4CCOCC4)c3F)cc(-c3csc(N4CCNCC4)n3)c2OC1,PXQGRACDNSLKJJ-UHFFFAOYSA-N
-rxn:5:180662:223294:225980,COC(=O)C1=Cc2cc(-c3cc(N4CCOCC4)ncc3F)cc(-c3csc(N4CCNCC4)n3)c2OC1,DUIPPEWAALDPKS-UHFFFAOYSA-N
-rxn:5:180662:223294:225982,COC(=O)C1=Cc2cc(-c3cnc(N4CCOCC4)cc3F)cc(-c3csc(N4CCNCC4)n3)c2OC1,REVDXARRXHJGLQ-UHFFFAOYSA-N
-rxn:5:180662:223294:226414,COC(=O)C1=Cc2cc(-c3ccc(C4=NCCCO4)cc3)cc(-c3csc(N4CCNCC4)n3)c2OC1,ZDCHUQJULUELNE-UHFFFAOYSA-N
-rxn:5:180662:223294:226645,COC(=O)C1=Cc2cc(-c3ccnc(N4CCOCC4)c3)cc(-c3csc(N4CCNCC4)n3)c2OC1,KPZJLPCRBVFMGM-UHFFFAOYSA-N
-rxn:5:180662:225870:226794,COC(=O)C1=Cc2cc(-c3cnc(N4CCSCC4)nc3)cc(-c3cc(F)cc(N4CCOCC4)c3)c2OC1,QJCBVWGPFGOEAE-UHFFFAOYSA-N
-rxn:5:180662:225976:226644,COC(=O)C1=Cc2cc(-c3cncc(N4CCOCC4)c3)cc(-c3ccnc(N4CCOCC4)c3F)c2OC1,XCIJZNGVRXEZGT-UHFFFAOYSA-N
-rxn:5:180662:225976:226645,COC(=O)C1=Cc2cc(-c3ccnc(N4CCOCC4)c3)cc(-c3ccnc(N4CCOCC4)c3F)c2OC1,GJPCOHLCWFFLJT-UHFFFAOYSA-N
-rxn:5:180662:225976:226649,COC(=O)C1=Cc2cc(-c3cccnc3N3CCOCC3)cc(-c3ccnc(N4CCOCC4)c3F)c2OC1,NXRUPKDTIAIPRO-UHFFFAOYSA-N
-rxn:5:180662:225976:227656,COC(=O)C1=Cc2cc(-c3cc(N4CCOCC4)cs3)cc(-c3ccnc(N4CCOCC4)c3F)c2OC1,YILFJEFHCJXUQQ-UHFFFAOYSA-N
-rxn:5:180662:225980:226645,COC(=O)C1=Cc2cc(-c3ccnc(N4CCOCC4)c3)cc(-c3cc(N4CCOCC4)ncc3F)c2OC1,WQCVAEBREHJATP-UHFFFAOYSA-N
-rxn:5:180662:225980:226649,COC(=O)C1=Cc2cc(-c3cccnc3N3CCOCC3)cc(-c3cc(N4CCOCC4)ncc3F)c2OC1,HGPGDZVOAPQCJE-UHFFFAOYSA-N
-rxn:5:180662:225982:226644,COC(=O)C1=Cc2cc(-c3cncc(N4CCOCC4)c3)cc(-c3cnc(N4CCOCC4)cc3F)c2OC1,XCPVDVKYJFBTPT-UHFFFAOYSA-N
-rxn:5:180662:225982:226645,COC(=O)C1=Cc2cc(-c3ccnc(N4CCOCC4)c3)cc(-c3cnc(N4CCOCC4)cc3F)c2OC1,SOGVZVHVLMBTMY-UHFFFAOYSA-N
-rxn:5:180662:225982:226649,COC(=O)C1=Cc2cc(-c3cccnc3N3CCOCC3)cc(-c3cnc(N4CCOCC4)cc3F)c2OC1,WRAXVEHPFUBNHT-UHFFFAOYSA-N
-rxn:5:180662:226044:227672,COC(=O)C1=Cc2cc(-c3cccc(C)c3C(F)(F)F)cc(-c3c(F)c(F)cc([N+](=O)[O-])c3OC)c2OC1,VNTVVJATJZOCAK-UHFFFAOYSA-N
-rxn:5:180662:226414:223294,COC(=O)C1=Cc2cc(-c3csc(N4CCNCC4)n3)cc(-c3ccc(C4=NCCCO4)cc3)c2OC1,IPFPGXCTWUBFIS-UHFFFAOYSA-N
-rxn:5:180662:226644:225976,COC(=O)C1=Cc2cc(-c3ccnc(N4CCOCC4)c3F)cc(-c3cncc(N4CCOCC4)c3)c2OC1,MLRIEKPXNKPTHD-UHFFFAOYSA-N
-rxn:5:180662:226644:225982,COC(=O)C1=Cc2cc(-c3cnc(N4CCOCC4)cc3F)cc(-c3cncc(N4CCOCC4)c3)c2OC1,MZLSRCCFYDHGMU-UHFFFAOYSA-N
-rxn:5:180662:226645:223294,COC(=O)C1=Cc2cc(-c3csc(N4CCNCC4)n3)cc(-c3ccnc(N4CCOCC4)c3)c2OC1,HVMFLBZIQQWASZ-UHFFFAOYSA-N
-rxn:5:180662:226645:225976,COC(=O)C1=Cc2cc(-c3ccnc(N4CCOCC4)c3F)cc(-c3ccnc(N4CCOCC4)c3)c2OC1,ZZKFDNWBBFFDNP-UHFFFAOYSA-N
-rxn:5:180662:226645:225982,COC(=O)C1=Cc2cc(-c3cnc(N4CCOCC4)cc3F)cc(-c3ccnc(N4CCOCC4)c3)c2OC1,UTXPRYHWQCNWSM-UHFFFAOYSA-N
-rxn:5:180662:226794:226664,COC(=O)C1=Cc2cc(-c3cc(N4CCCC4)ncc3F)cc(-c3cnc(N4CCSCC4)nc3)c2OC1,HVCYUCPKTPJGEZ-UHFFFAOYSA-N
-rxn:5:181624:225832:226424,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(C2OCCO2)c(-c2cc(N3CCCC(C)C3)cs2)c1,ZUTNNAPFXZKJGF-UHFFFAOYSA-N
-rxn:5:181626:225832:223058,Cc1nn(C2CCCCO2)c(C)c1-c1cccc(-c2cc(F)nc(C3CCCNC3)c2)c1C1OCCO1,RXHCWUAYXGTSHU-UHFFFAOYSA-N
-rxn:5:181630:225832:225884,Cc1nn(C2CCCCO2)c(C)c1-c1cccc(C2OCCO2)c1-c1ccc(C2COCCO2)c(F)c1,MZCCKGVRSFDBOX-UHFFFAOYSA-N
-rxn:5:181904:225451:222957,Cc1cc(-c2c(-c3ccc(SC4CCCCC4)cc3)ccc(C3OCCO3)c2C)cc(C2CCCNC2)c1,YIBUHBBRXOVJOT-UHFFFAOYSA-N
-rxn:5:181904:225466:225439,Cc1c(C2OCCO2)ccc(-c2ccc(N3CCCCC3C)cc2)c1-c1cccc(C(C)N2CCCC2)c1,WVHFSLSAHSFLGD-UHFFFAOYSA-N
-rxn:5:181904:225832:227103,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(C2OCCO2)c(C)c1-c1sccc1C1CCCCC1,WOKPEWCQTLNBBV-UHFFFAOYSA-N
-rxn:5:181904:226686:222957,Cc1cc(-c2c(-c3c(C)cnn3C3CCCCO3)ccc(C3OCCO3)c2C)cc(C2CCCNC2)c1,VFEAJVZHKOYBOB-UHFFFAOYSA-N
-rxn:5:181905:225466:226330,Cc1ccc(-c2ccc(C(C)N3CCCC3)s2)c(C2OCCO2)c1-c1ccc(N2CCCCC2C)cc1,SMNPGSZLUQBBGP-UHFFFAOYSA-N
-rxn:5:181905:225805:223134,Cc1ccc(-c2cnccc2C2CCCNC2)c(C2OCCO2)c1-c1ccc(C(C)N2CCOCC2)s1,LUOYLSPGIOZZFS-UHFFFAOYSA-N
-rxn:5:181906:225407:225451,Cc1ccc(-c2ccc(C3CCCCCC3)cc2)c(C2OCCO2)c1-c1ccc(SC2CCCCC2)cc1,SVPQNICPLMARKU-UHFFFAOYSA-N
-rxn:5:181906:225453:225470,Cc1ccc(-c2cccc(SC3CCCCC3)c2)c(C2OCCO2)c1-c1ccc(N2CCC(C)CC2)cc1,IUYQENNOEBKBNO-UHFFFAOYSA-N
-rxn:5:181907:225607:223138,Cc1cc(-c2ccc(C(C)N3CCCCC3)s2)c(-c2ccnc(C3CCNCC3)c2)c(C2OCCO2)c1,KCBBEGHUXVUDAX-UHFFFAOYSA-N
-rxn:5:181907:225636:225656,Cc1cc(-c2ccnc(N3CCC(C)CC3)c2)c(-c2cncc(N3CCCCC3C)c2)c(C2OCCO2)c1,GUNSDGLCHIOZHC-UHFFFAOYSA-N
-rxn:5:181907:225653:222987,Cc1cc(-c2ccc(N3CCCCC3C)nc2)c(-c2ccc(C3CCNCC3)nc2C)c(C2OCCO2)c1,RHQIMDUNPYLCOU-UHFFFAOYSA-N
-rxn:5:181907:226686:225655,Cc1cc(-c2c(C)cnn2C2CCCCO2)c(-c2cncc(N3CCC(C)CC3)c2)c(C2OCCO2)c1,NZNGAOHNFRSRSC-UHFFFAOYSA-N
-rxn:5:181908:225470:226571,Cc1cc(-c2ccc(N3CCC(C)CC3)cc2)c(-c2cnn(CC3CCOCC3)c2)cc1C1OCCO1,LYKGDUICCHMNGY-UHFFFAOYSA-N
-rxn:5:181908:225514:222956,Cc1ccc(-c2cc(C3OCCO3)c(C)cc2-c2cccc3c2OCC2(CC2)CO3)c(C2CCCNC2)c1,WEFICYFKAFMDIN-UHFFFAOYSA-N
-rxn:5:181908:225607:226179,Cc1cc(-c2ccc(C(C)N3CCCCC3)s2)c(-c2cncc(C3CCCCC3)c2)cc1C1OCCO1,CSOBYTWUIQRNRZ-UHFFFAOYSA-N
-rxn:5:181908:225633:225472,Cc1cc(-c2ccc(N3CCCCCC3)nc2)c(-c2cccc(N3CCCCC3C)c2)cc1C1OCCO1,VJPYKFZAQIQWOU-UHFFFAOYSA-N
-rxn:5:181908:226649:225832,Cc1cc(-c2cccnc2N2CCOCC2)c(-c2c(C)nn(C3CCCCO3)c2C)cc1C1OCCO1,MQJVIFQVCNESHQ-UHFFFAOYSA-N
-rxn:5:181908:227386:225805,Cc1cc(-c2cnn(C3CCCCC3)c2)c(-c2ccc(C(C)N3CCOCC3)s2)cc1C1OCCO1,JBADPWYBLORUNC-UHFFFAOYSA-N
-rxn:5:182010:225638:225407,CC1CCN(c2ccc(-c3cc(-c4ccc(C5CCCCCC5)cc4)ccc3C3CCOCC3)cn2)CC1,KQWSAMAKJITHSX-UHFFFAOYSA-N
-rxn:5:182010:225832:225674,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2cnc(C3CCCCC3)cc2F)ccc1C1CCOCC1,GVQRGLCNLOUNDL-UHFFFAOYSA-N
-rxn:5:182010:226186:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(C2CCOCC2)c(-c2ccccc2C2CCOCC2)c1,YAXAHMGDLDKYAU-UHFFFAOYSA-N
-rxn:5:182010:226452:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(C2CCOCC2)c(-c2ccc(C3OCCCO3)cc2)c1,OUVHSATXDVQVTP-UHFFFAOYSA-N
-rxn:5:182010:227610:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(C2CCOCC2)c(-c2ccn(C3CCCCO3)n2)c1,IPJOZOZCTHHJTK-UHFFFAOYSA-N
-rxn:5:182011:222958:225653,Cc1ccc(-c2ccc(C3CCOCC3)cc2-c2ccc(N3CCCCC3C)nc2)cc1C1CCNCC1,VHWKBPMNUJAYFQ-UHFFFAOYSA-N
-rxn:5:182011:225438:222959,Cc1cc(-c2cc(C3CCOCC3)ccc2-c2ccc(C(C)N3CCCC3)cc2)ccc1C1CCNCC1,CTUIPRIGZJPNTP-UHFFFAOYSA-N
-rxn:5:182011:225439:226686,Cc1cnn(C2CCCCO2)c1-c1cc(C2CCOCC2)ccc1-c1cccc(C(C)N2CCCC2)c1,DPXMKAJZFGHKJD-UHFFFAOYSA-N
-rxn:5:182011:225633:222958,Cc1ccc(-c2cc(C3CCOCC3)ccc2-c2ccc(N3CCCCCC3)nc2)cc1C1CCNCC1,JCHZHBFLKLDJPY-UHFFFAOYSA-N
-rxn:5:182011:225832:226411,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(C2CCOCC2)cc1-c1ccc(N2CCOCC2)cc1,ORPUQVBTZXPTMG-UHFFFAOYSA-N
-rxn:5:182012:225639:222960,Cc1cc(-c2ccc(-c3cccnc3N3CCC(C)CC3)cc2C2CCCOC2)cc(C2CCNCC2)c1,NTIOLPLPSPYIFP-UHFFFAOYSA-N
-rxn:5:182012:225684:222959,Cc1cc(-c2ccc(-c3ccc(C4CCOCC4)nc3C)cc2C2CCCOC2)ccc1C1CCNCC1,WUKJRSUUXSUWLT-UHFFFAOYSA-N
-rxn:5:182012:225832:223133,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2ccccc2N2CCNCC2)c(C2CCCOC2)c1,VJHLBQDCDBYQMO-UHFFFAOYSA-N
-rxn:5:182012:225832:227103,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2sccc2C2CCCCC2)c(C2CCCOC2)c1,WSDOCASMJHEIEI-UHFFFAOYSA-N
-rxn:5:188375:225943:225982,COC(=O)Cc1nc(-c2cnc(N3CCOCC3)cc2F)ccc1-c1ccc(C(=O)N2CCOCC2)s1,GOWUASMKHJLKQK-UHFFFAOYSA-N
-rxn:5:188376:225943:225976,COC(=O)Cc1cnc(-c2ccnc(N3CCOCC3)c2F)cc1-c1ccc(C(=O)N2CCOCC2)s1,NNRZTWVZHIZIFB-UHFFFAOYSA-N
-rxn:5:188395:225976:225943,CCOC(=O)c1nc(-c2ccnc(N3CCOCC3)c2F)ccc1-c1ccc(C(=O)N2CCOCC2)s1,HZZKUAKFAIRAPO-UHFFFAOYSA-N
-rxn:5:188412:225674:223054,CCOC(=O)c1c(-c2ccc(C(C)N3CCC(O)C3)s2)cncc1-c1cnc(C2CCCCC2)cc1F,JMAJJINHQHVQJP-UHFFFAOYSA-N
-rxn:5:188460:225884:226190,COC(=O)c1cc([N+](=O)[O-])c(-c2ccc(C3CCCC3)cc2F)cc1-c1ccc(C2COCCO2)c(F)c1,UENACGCUIIYVHY-UHFFFAOYSA-N
-rxn:5:188868:225833:226661,CC(C)OC(=O)c1ccnc(-c2cc(N3CCN(C)CC3)cs2)c1-c1ccnc(N2CCCCC2)c1F,DTOBZNQBPIIXSC-UHFFFAOYSA-N
-rxn:5:188868:225833:226662,CC(C)OC(=O)c1ccnc(-c2ccc(N3CCN(C)CC3)s2)c1-c1ccnc(N2CCCCC2)c1F,SKQCSIAPVLUIQJ-UHFFFAOYSA-N
-rxn:5:188868:225978:226662,CC(C)OC(=O)c1ccnc(-c2ccc(N3CCN(C)CC3)s2)c1-c1ccc(N2CCOCC2)nc1F,WMRHWKZDTKWNCH-UHFFFAOYSA-N
-rxn:5:188868:226662:223061,CC(C)OC(=O)c1ccnc(-c2cc(C3CCNCC3)ncc2F)c1-c1ccc(N2CCN(C)CC2)s1,UCRPURRVHUDUQK-UHFFFAOYSA-N
-rxn:5:188930:225672:227377,COC(=O)c1cc(S(N)(=O)=O)c(-c2cc(F)nc(C3CCCCC3)c2)cc1-c1cncnc1C1CCCC1,XRDAWJUZBQPTTC-UHFFFAOYSA-N
-rxn:5:188930:226330:223138,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccc(C(C)N3CCCC3)s2)cc1-c1ccnc(C2CCNCC2)c1,UXNBRXIIKCATSP-UHFFFAOYSA-N
-rxn:5:188930:226440:226374,COC(=O)c1cc(S(N)(=O)=O)c(-c2cc(F)nc(C3CCCC3)c2)cc1-c1cncnc1C1CCCCC1,VAAXGRUAWWTROZ-UHFFFAOYSA-N
-rxn:5:188930:227438:225639,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccnc(C3CCOC3)c2)cc1-c1cccnc1N1CCC(C)CC1,ASLNEJISIVUCDQ-UHFFFAOYSA-N
-rxn:5:188931:223054:228698,CCC(=O)c1ccc(-c2c(C(=O)OC)cc(-c3ccc(C(C)N4CCC(O)C4)s3)cc2S(N)(=O)=O)s1,AMEDWPMAHWFYOQ-UHFFFAOYSA-N
-rxn:5:188931:226374:225674,COC(=O)c1cc(-c2cncnc2C2CCCCC2)cc(S(N)(=O)=O)c1-c1cnc(C2CCCCC2)cc1F,GRKOMIQIWICKJU-UHFFFAOYSA-N
-rxn:5:188931:226374:226438,COC(=O)c1cc(-c2cncnc2C2CCCCC2)cc(S(N)(=O)=O)c1-c1cnc(C2CCCC2)cc1F,XUARSVKHOOQANG-UHFFFAOYSA-N
-rxn:5:188931:227377:225674,COC(=O)c1cc(-c2cncnc2C2CCCC2)cc(S(N)(=O)=O)c1-c1cnc(C2CCCCC2)cc1F,SEQSZYDCTNKLEY-UHFFFAOYSA-N
-rxn:5:188932:223138:223139,COC(=O)c1cc(-c2ccc(C3CCNCC3)nc2)c(S(N)(=O)=O)c(-c2ccnc(C3CCNCC3)c2)c1,ODNKVFFGQZUCED-UHFFFAOYSA-N
-rxn:5:189001:225601:223134,COC(=O)C1(c2nc(-c3cnccc3C3CCCNC3)ccc2-c2ccc(C3(C#N)CCC3)cc2F)CC1,LDQVKYHGPDSVOG-UHFFFAOYSA-N
-rxn:5:189001:225942:223139,COC(=O)C1(c2nc(-c3ccc(C4CCNCC4)nc3)ccc2-c2cnc(C(C)C)c(C(F)(F)F)c2)CC1,NXGQQDNYKBVHPN-UHFFFAOYSA-N
-rxn:5:189079:226662:223062,CCN(C)C(=O)c1ccc(-c2cnc(C3CCNCC3)cc2F)c(-c2ccc(N3CCN(C)CC3)s2)c1,FUGDZGJWGROLRU-UHFFFAOYSA-N
-rxn:5:189319:223062:225784,CC(C)(C)OC(=O)c1nc(-c2ccc(CN3CCOCC3)nc2)ccc1-c1cnc(C2CCNCC2)cc1F,LEPQKWJCJDQNSI-UHFFFAOYSA-N
-rxn:5:189319:223132:225976,CC(C)(C)OC(=O)c1nc(-c2ccnc(N3CCOCC3)c2F)ccc1-c1cccc(N2CCNCC2)c1,VIVGXEXOLOFDGV-UHFFFAOYSA-N
-rxn:5:189319:223133:225976,CC(C)(C)OC(=O)c1nc(-c2ccnc(N3CCOCC3)c2F)ccc1-c1ccccc1N1CCNCC1,ZHULXLAZFKHJLM-UHFFFAOYSA-N
-rxn:5:189319:225833:223294,CC(C)(C)OC(=O)c1nc(-c2csc(N3CCNCC3)n2)ccc1-c1ccnc(N2CCCCC2)c1F,HFSDUWHZSMMCQX-UHFFFAOYSA-N
-rxn:5:189319:225976:223294,CC(C)(C)OC(=O)c1nc(-c2csc(N3CCNCC3)n2)ccc1-c1ccnc(N2CCOCC2)c1F,FCZJLTOMBFYIRB-UHFFFAOYSA-N
-rxn:5:189319:225976:226643,CC(C)(C)OC(=O)c1nc(-c2ccc(N3CCOCC3)nc2)ccc1-c1ccnc(N2CCOCC2)c1F,VHXGTOCSUCGZFI-UHFFFAOYSA-N
-rxn:5:189319:225976:226644,CC(C)(C)OC(=O)c1nc(-c2cncc(N3CCOCC3)c2)ccc1-c1ccnc(N2CCOCC2)c1F,MJWKOMSIAULPKM-UHFFFAOYSA-N
-rxn:5:189319:225976:226645,CC(C)(C)OC(=O)c1nc(-c2ccnc(N3CCOCC3)c2)ccc1-c1ccnc(N2CCOCC2)c1F,AWLSKXYDBICESG-UHFFFAOYSA-N
-rxn:5:189319:225976:226794,CC(C)(C)OC(=O)c1nc(-c2cnc(N3CCSCC3)nc2)ccc1-c1ccnc(N2CCOCC2)c1F,QWAYMQCZVYEGLZ-UHFFFAOYSA-N
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-rxn:5:190000:225453:227561,COc1cc(F)c(-c2ccc(CC(=O)N3CCCCC3)c(-c3cccc(SC4CCCCC4)c3)c2)cc1OC,ARKDHZRPZLEVRM-UHFFFAOYSA-N
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-rxn:5:190128:226181:226748,COc1cc(C(F)(F)F)ccc1-c1cc(C(=O)N2CCC(OC)CC2)ccc1-c1ccc(C2=CCCCC2)nc1,GDJBMSINMHOJFR-UHFFFAOYSA-N
-rxn:5:190128:227933:226146,CCc1ccc(OC)cc1-c1ccc(C(=O)N2CCC(OC)CC2)cc1-c1ccc(SC2CCCC2)cc1,BNQFZPQKHDEAOM-UHFFFAOYSA-N
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-rxn:5:190128:228617:225453,COc1cccc(C)c1-c1ccc(C(=O)N2CCC(OC)CC2)cc1-c1cccc(SC2CCCCC2)c1,MQXRYBMIKWBVLX-UHFFFAOYSA-N
-rxn:5:190194:225451:227055,COc1ccc(-c2c(CN3CCC(OC)CC3)cccc2-c2ccc(SC3CCCCC3)cc2)cc1C1CC1,XUFKNIGGQKLMDE-UHFFFAOYSA-N
-rxn:5:190194:227592:226150,COc1cc(F)cc(-c2cccc(CN3CCC(OC)CC3)c2-c2cccc(SC3CCCC3)c2)c1OC,LJCLLNGZPULTJJ-UHFFFAOYSA-N
-rxn:5:190198:225592:227897,CN(Cc1c(-c2cccc(C=CC#N)c2)cccc1-c1cc(F)ccc1CN1CCCC1)C1CCOCC1,COGXPFQYZOEUOE-UHFFFAOYSA-N
-rxn:5:190199:223113:225881,CN(Cc1cc(-c2ccc(C3CCOCC3)nc2F)ccc1-c1ccc2c(c1)C(C)(C)C(=O)N2)C1CCOCC1,ODMZJTWWQIOOGR-UHFFFAOYSA-N
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-rxn:5:190199:225803:223113,CN(Cc1cc(-c2ccc3c(c2)C(C)(C)C(=O)N3)ccc1-c1ccnc(OC2CCOCC2)c1)C1CCOCC1,MJEGIGBWVGWRKE-UHFFFAOYSA-N
-rxn:5:190199:225886:225450,CN(Cc1cc(-c2ccc(C(=O)C3CCCC3)cc2)ccc1-c1ccc2c(ccn2S(C)(=O)=O)c1)C1CCOCC1,IXCQNCWNVIPFBE-UHFFFAOYSA-N
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-rxn:5:190200:227667:223135,CC(=O)c1ccc(F)c(-c2cc(CN(C)C3CCOCC3)cc(-c3cccnc3C3CCCNC3)c2)c1F,XXBLTOYVYUQSSX-UHFFFAOYSA-N
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-rxn:5:190336:225886:226913,CCc1cc(-c2cc(C(=O)N3CCCC(C)C3)cc(-c3ccc4c(ccn4S(C)(=O)=O)c3)c2OC)cc(C2CC2)c1,AGOLEXWLPVIADW-UHFFFAOYSA-N
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-rxn:5:190337:226190:227935,CCc1cc(-c2cc(C(=O)N3CCC(C)CC3)cc(-c3ccc(C4CCCC4)cc3F)c2OC)ccc1OC,XACIBFPJIJMFOC-UHFFFAOYSA-N
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-rxn:5:190484:226179:228503,O=C(c1cccc(-c2cncc(C3CCCCC3)c2)c1)N1CCC(c2ccccc2-c2ccc3c(c2)CCC3)S(=O)(=O)CC1,PHCBETRHKWORER-UHFFFAOYSA-N
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-rxn:5:190484:226661:223312,CN1CCN(c2csc(-c3cccc(C(=O)N4CCC(c5ccccc5-c5ccc(C6CNC6)cc5)S(=O)(=O)CC4)c3)c2)CC1,YJOMINNDOIXEGG-UHFFFAOYSA-N
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-rxn:5:190741:226661:225976,CCOC(=O)c1cnc2c(-c3cc(N4CCN(C)CC4)cs3)cc(C)cc2c1-c1ccnc(N2CCOCC2)c1F,URMDTVUOCVEHPA-UHFFFAOYSA-N
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-rxn:5:190742:223065:226571,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(N4CCNCC4)cc3F)c2c1-c1cnn(CC2CCOCC2)c1,BHZHXZSQCZSKLJ-UHFFFAOYSA-N
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-rxn:5:193506:222959:223146,Cc1cc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3cccc(C4CNCCO4)c3)c2)ccc1C1CCNCC1,RKOKVRFTAYVSRV-UHFFFAOYSA-N
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-rxn:5:193506:225805:227517,CC(c1ccc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3ccc(OC4COC4)nc3)c2)s1)N1CCOCC1,WHOKVVNDYGDRQR-UHFFFAOYSA-N
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-rxn:5:193542:226333:225451,O=C(c1cccc(-c2cccc(CN3CCCCC3)c2-c2ccc(SC3CCCCC3)cc2)c1)N1CCC1,ZFOALLOCAXUERY-UHFFFAOYSA-N
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-rxn:5:193808:227588:225453,COc1cc(F)cc(OC)c1-c1ccc(-c2cccc(SC3CCCCC3)c2)c(CN2CCC(C)CC2)c1,PCWKVMWDIZUBDO-UHFFFAOYSA-N
-rxn:5:193808:228349:225407,CC1CCN(Cc2cc(-c3cnn(C4CCOC4)c3)ccc2-c2ccc(C3CCCCCC3)cc2)CC1,VTRAORWTLVFHQD-UHFFFAOYSA-N
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-rxn:5:193866:225453:228621,CSc1cc(C)ccc1-c1cc(C2(N3CCC(=O)CC3)CC2)ccc1-c1cccc(SC2CCCCC2)c1,VQDIHVLPFRHKRN-UHFFFAOYSA-N
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-rxn:5:193972:228965:223148,Cc1cc(-c2ccc([N+](=O)[O-])nc2)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccccc1C1CNCCO1,MBPCLMFVOMIQMY-UHFFFAOYSA-N
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-rxn:5:194399:225455:225833,Cc1ccc(N2CCCCC2)cc1-c1ccc(C(=O)N2CC3CC3C2)cc1-c1ccnc(N2CCCCC2)c1F,UUGPBPHUNHZKBW-UHFFFAOYSA-N
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-rxn:5:194733:227769:228198,COc1ncc([N+](=O)[O-])cc1-c1ccc(-c2cnc(C(C)C)nc2C)c(C(=O)N2C3CCC2CC(=C2CC2)C3)c1,ZSNJURCLFMJWTQ-UHFFFAOYSA-N
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-rxn:5:194782:226661:227150,Cc1cc(-c2ccc(-c3cc(N4CCN(C)CC4)cs3)cc2C(=O)N2CCC3(CC2)CC(=O)c2ccccc2O3)cc2cnn(C)c12,BKIVJTULKMBAAJ-UHFFFAOYSA-N
-rxn:5:194782:226740:228792,CSc1ccc(-c2ccc(-c3cccc(C(F)(F)F)c3C#N)cc2C(=O)N2CCC3(CC2)CC(=O)c2ccccc2O3)cc1F,ZLQMSNJCQHQVQL-UHFFFAOYSA-N
-rxn:5:194782:227926:228974,CC(C)Sc1ccc(-c2ccc(-c3cnn(S(C)(=O)=O)c3)c(C(=O)N3CCC4(CC3)CC(=O)c3ccccc3O4)c2)cc1,PXNQKZMSTXROHK-UHFFFAOYSA-N
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-rxn:5:194792:227866:226413,Cc1ccc2sc(-c3ccc(C4OC5(C(=O)c6ccccc6C5=O)C5C(=O)N(c6ccc(-c7cccc(N8CCOCC8)c7)cc6)C(=O)C45)cc3)cc2c1,MJKUGRMYWHKQGG-UHFFFAOYSA-N
-rxn:5:196408:225832:225677,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2ccc(C3CCCCC3)nc2F)ccc1C1=NOCCO1,XOYPYMYBXVQVEU-UHFFFAOYSA-N
-rxn:5:196408:225943:223061,O=C(c1ccc(-c2cc(-c3cc(C4CCNCC4)ncc3F)ccc2C2=NOCCO2)s1)N1CCOCC1,IZGZYQMXYCJCIF-UHFFFAOYSA-N
-rxn:5:196668:225607:225461,Cc1cc(N2CCCCC2)ccc1-c1cc(-c2ccc(C(C)N3CCCCC3)s2)ncc1C1CCCC1,JRBWXDGYKBLGFT-UHFFFAOYSA-N
-rxn:5:196791:225982:226644,O=C1COCCN1c1cccc(-c2cnc(N3CCOCC3)cc2F)c1-c1cncc(N2CCOCC2)c1,PQQWVEMKIASUQH-UHFFFAOYSA-N
-rxn:5:196858:222989:226686,Cc1cc(N2CCNCC2)ccc1-c1cnc(C2CCOCC2)cc1-c1c(C)cnn1C1CCCCO1,WGIYYLDJHQQDEZ-UHFFFAOYSA-N
-rxn:5:196858:223062:223058,Fc1cc(-c2cc(C3CCOCC3)ncc2-c2cnc(C3CCNCC3)cc2F)cc(C2CCCNC2)n1,QXWFWXGFLDDSRF-UHFFFAOYSA-N
-rxn:5:196858:225462:222959,Cc1cc(-c2cc(C3CCOCC3)ncc2-c2cccc(N3CCC(C)CC3)c2)ccc1C1CCNCC1,HDMTWXLCWZSBJL-UHFFFAOYSA-N
-rxn:5:196859:226686:222980,Cc1cnn(C2CCCCO2)c1-c1c(C2CCOCC2)ccnc1-c1ccc(CN2CCNCC2)cc1,AKYMNJIYWQRTDG-UHFFFAOYSA-N
-rxn:5:196871:225832:226183,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2cnccc2C2CCCCC2)cc1N1CCOCC1,GHMMGYHGINZEND-UHFFFAOYSA-N
-rxn:5:196871:226686:222985,Cc1cnn(C2CCCCO2)c1-c1ccc(-c2ccc(C3CCCNC3)nc2C)cc1N1CCOCC1,LYRZAAONZHQJCE-UHFFFAOYSA-N
-rxn:5:196872:225407:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(N2CCOCC2)c(-c2ccc(C3CCCCCC3)cc2)c1,SKZCRYKLHBRMQF-UHFFFAOYSA-N
-rxn:5:196918:226594:222984,CC(C)Oc1cc(F)c(-c2cccc(N3CCCCC3=O)c2-c2ccc(CN3CCC(O)C3)cc2)c(F)c1,KXCUSITZPSNZHN-UHFFFAOYSA-N
-rxn:5:196969:225439:225461,Cc1cc(N2CCCCC2)ccc1-c1cc(C2CCCCC2)ncc1-c1cccc(C(C)N2CCCC2)c1,UEEBSPKIVQBWLZ-UHFFFAOYSA-N
-rxn:5:196969:226686:225439,Cc1cnn(C2CCCCO2)c1-c1cnc(C2CCCCC2)cc1-c1cccc(C(C)N2CCCC2)c1,WYDOXFWWLHHJNC-UHFFFAOYSA-N
-rxn:5:196970:223132:225832,Cc1nn(C2CCCCO2)c(C)c1-c1nccc(C2CCCCC2)c1-c1cccc(N2CCNCC2)c1,BSXARPJKTPTBGJ-UHFFFAOYSA-N
-rxn:5:196977:226177:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(N2CCCCC2)ccc1-c1ccnc(C2CCCCC2)c1,RSWRMFVMKSGQRZ-UHFFFAOYSA-N
-rxn:5:196978:226686:225638,Cc1cnn(C2CCCCO2)c1-c1ccc(N2CCCCC2)c(-c2ccc(N3CCC(C)CC3)nc2)c1,JNVAGEVMNMJJOP-UHFFFAOYSA-N
-rxn:5:196979:225832:226186,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2ccccc2C2CCOCC2)cc(N2CCCCC2)c1,PGVPFZRWTPHREG-UHFFFAOYSA-N
-rxn:5:197876:225453:227717,CC(C)(C)N1C(=O)c2cc(-c3ccc(F)cc3OC(F)F)c(-c3cccc(SC4CCCCC4)c3)cc2S1(=O)=O,WKLGLJOYYAWRHH-UHFFFAOYSA-N
-rxn:5:197876:225499:228620,CSc1ccc(-c2cc3c(cc2-c2ccc(C4CCCCC4)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1C,XWUBSOCQZOFCBM-UHFFFAOYSA-N
-rxn:5:197876:226079:225466,CC(C)c1ccc2sc(-c3cc4c(cc3-c3ccc(N5CCCCC5C)cc3)C(=O)N(C(C)(C)C)S4(=O)=O)cc2c1,ZLSKDDDIRWFBIK-UHFFFAOYSA-N
-rxn:5:197876:226432:227810,CCC(C)c1ccc(-c2cc3c(cc2-c2ccc(C4CCCC4)nc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1,QPIJFDZFUAWWQH-UHFFFAOYSA-N
-rxn:5:197876:226440:228415,CC(C)(C)N1C(=O)c2cc(-c3cc(F)ccc3C(F)F)c(-c3cc(F)nc(C4CCCC4)c3)cc2S1(=O)=O,FPWVHBLQUBQQTE-UHFFFAOYSA-N
-rxn:5:197876:226926:226916,Cc1cc(C(C)(C)C)ccc1-c1cc2c(cc1-c1cccc(C3=CCCC3)c1)C(=O)N(C(C)(C)C)S2(=O)=O,XJDHKZIMVLCGGF-UHFFFAOYSA-N
-rxn:5:197876:227045:223284,CC(C)(C)Sc1cccc(-c2cc3c(cc2-c2ccc(NS(C)(=O)=O)cc2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,APTOCEYAZQPVDU-UHFFFAOYSA-N
-rxn:5:197876:227068:226923,Cc1cc(C2CC2)c(C)cc1-c1cc2c(cc1-c1ccc(CC(C)C)cc1F)S(=O)(=O)N(C(C)(C)C)C2=O,HTAXLEGENFQMDC-UHFFFAOYSA-N
-rxn:5:197876:227102:228016,CC(C)(C)c1ccc(F)c(-c2cc3c(cc2-c2cc(C4CCCC4)cs2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,YOLYHTWKYIEMNJ-UHFFFAOYSA-N
-rxn:5:197876:227103:226761,CSc1ccc(-c2cc3c(cc2-c2sccc2C2CCCCC2)S(=O)(=O)N(C(C)(C)C)C3=O)c(C(F)(F)F)c1,XQSAQWPKXBKBPA-UHFFFAOYSA-N
-rxn:5:197876:227120:226061,CC(C)c1cc(-c2cc3c(cc2-c2ccc(C4CCC4)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc(C2CC2)c1,ZESFXXYJPSKPPU-UHFFFAOYSA-N
-rxn:5:197876:227319:226920,Cc1ccc(C(C)(C)C)cc1-c1cc2c(cc1-c1cc(CC(C)C)ncc1F)S(=O)(=O)N(C(C)(C)C)C2=O,GIJMDANUBBRUND-UHFFFAOYSA-N
-rxn:5:197876:227415:227412,CC(C)(C)c1cc(F)c(-c2cc3c(cc2-c2ccc(C(C)(C)C)nc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cn1,ZPUIGDCQRSOMAF-UHFFFAOYSA-N
-rxn:5:197876:227724:226174,CC(C)(C)N1C(=O)c2cc(-c3ccc(C4CCCCC4)nc3)c(-c3cc(OC(F)F)ccc3F)cc2S1(=O)=O,HYUGRGWAMHQPKT-UHFFFAOYSA-N
-rxn:5:197876:227829:226589,CC(C)c1cnc(C(F)F)cc1-c1cc2c(cc1-c1ccccc1C1CCC1)S(=O)(=O)N(C(C)(C)C)C2=O,RQNBSWRVTLGLPB-UHFFFAOYSA-N
-rxn:5:197876:227841:226069,Cc1cc(C)c(C)c(-c2cc3c(cc2-c2cccc(C4CCCCC4)c2)C(=O)N(C(C)(C)C)S3(=O)=O)c1C,UHRXKCGGSVMHMI-UHFFFAOYSA-N
-rxn:5:197876:227907:226062,CCC(C)c1cncc(-c2cc3c(cc2-c2cc(C(C)C)cc(C(C)C)c2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,UWDWMRALJBAHMZ-UHFFFAOYSA-N
-rxn:5:197876:227978:226069,CC(C)c1ccc(F)c(-c2cc3c(cc2-c2cccc(C4CCCCC4)c2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,SRRIUMDRZZTQCA-UHFFFAOYSA-N
-rxn:5:197876:228002:227589,Cc1cc(OC(F)F)cc(-c2cc3c(cc2-c2sccc2C2CCCC2)S(=O)(=O)N(C(C)(C)C)C3=O)c1,GDLMXXHOFGQGMC-UHFFFAOYSA-N
-rxn:5:197876:228344:226176,CC(C)(C)N1C(=O)c2cc(-c3ccncc3C3CCCCC3)c(-c3ccc(SC(F)F)cc3)cc2S1(=O)=O,MPISUPNVOAXBEC-UHFFFAOYSA-N
-rxn:5:197876:228415:227119,CC(C)(C)N1C(=O)c2cc(-c3cc(C4CCCCC4)cs3)c(-c3cc(F)ccc3C(F)F)cc2S1(=O)=O,UWAPZLFHLLWKED-UHFFFAOYSA-N
-rxn:5:227922:178295:225593,CCc1cc(OC)ccc1-c1ccc(-c2cc(F)cc(CN3CCCC3)c2)cc1C1(C(=O)OC)CCC(=O)CC1,ZJXQNPUWYLAIHK-UHFFFAOYSA-N
-rxn:5:227941:178295:226067,COCc1cc(C)cc(-c2ccc(-c3ccc(C4=CCCCC4)cc3)cc2C2(C(=O)OC)CCC(=O)CC2)c1,VYTHSFYRSPTFNM-UHFFFAOYSA-N
-rxn:5:227963:178295:227077,CCC(C)c1ccc(-c2ccc(-c3ccnc(C(C)(C)C)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)c1,LDDDJNOOWWCSGL-UHFFFAOYSA-N
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-rxn:4:173284:224392,COCCOc1ccc(OC(F)(F)F)cc1-c1cc(S(=O)(=O)N2CCOCC2)ccc1C,OKGBHGHUSJAYBP-UHFFFAOYSA-N
-rxn:4:173338:223583,COC(=O)c1ccc2c(-c3ccc(C(=O)C(C(=O)OC)C(=O)OC)cc3)cn(C(=O)OC(C)(C)C)c2c1,FNPKCRNBBKQSPQ-UHFFFAOYSA-N
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-rxn:4:173352:222598,COC(=O)CCCS(=O)(=O)c1ccc(-c2cc(C)c(S(=O)(=O)NC3CCCC3)c(C)c2)cc1,RLLLPSGRYDTDGM-UHFFFAOYSA-N
-rxn:4:173354:223540,CCOC(=O)COc1cc(-c2cc(S(=O)(=O)N3CCC4(CC3)OCCO4)ccc2OC)ccc1C(C)=O,LMZYNWBCXASPCC-UHFFFAOYSA-N
-rxn:4:173554:224076,CC(C)(C)OC(=O)c1ccc(C(=O)OC(C)(C)C)c(-c2ccc3c(ccn3[Si](C)(C)C(C)(C)C)c2)c1,BKLSBBYUBCPDCZ-UHFFFAOYSA-N
-rxn:4:173593:224842,CC(C)(C)c1cc(C(=O)OCc2ccc(-c3ccc4c(c3)C(C)(C)CCC4(C)C)cc2)cc(C(C)(C)C)c1,VHSQGDBEHHSBPI-UHFFFAOYSA-N
-rxn:4:173680:222613,CCCNS(=O)(=O)c1ccc(-c2cc3oc(C)c(C(=O)OCC)c3cc2OC(=O)C2CCCCC2)c(C(F)(F)F)c1,FUKBRFZWUCRALL-UHFFFAOYSA-N
-rxn:4:173704:223042,COc1cccc2c(-c3ccc(C(=O)NC(C)C)c(Cl)c3)ccc(O[Si](C(C)C)(C(C)C)C(C)C)c12,MSEOCNSNISPLFH-UHFFFAOYSA-N
-rxn:4:173704:225035,COc1cccc2c(-c3cc(F)ccc3OC3CCCCC3)ccc(O[Si](C(C)C)(C(C)C)C(C)C)c12,HQAPSYWANCYQHP-UHFFFAOYSA-N
-rxn:4:173721:223866,C#Cc1cc(F)c(OCC(=O)OC)c(-c2ccccc2CN2C(C)(C)CCCC2(C)C)c1,PHGWWOAYSWCZLY-UHFFFAOYSA-N
-rxn:4:173802:224720,CC(C)(C)OC(=O)n1cc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)c(C2CC2)n1,MANFXNWKRFHDKJ-UHFFFAOYSA-N
-rxn:4:173802:224941,O=S(=O)(OC(c1ccc(-c2ccc(CCN3CCOCC3)cc2)cc1)C(F)(F)F)C(F)(F)F,JXEJUQLGJZEUDZ-UHFFFAOYSA-N
-rxn:4:173802:225709,CN(C)CCCOc1ccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)cn1,UJSJCVKDPJFDQO-UHFFFAOYSA-N
-rxn:4:173802:225923,O=S(=O)(OC(c1ccc(-c2cnc(OC3CCCC3)nc2Cl)cc1)C(F)(F)F)C(F)(F)F,KWBPLYIEBUHWMG-UHFFFAOYSA-N
-rxn:4:173802:226571,O=S(=O)(OC(c1ccc(-c2cnn(CC3CCOCC3)c2)cc1)C(F)(F)F)C(F)(F)F,FBJBZHZOSIXKGC-UHFFFAOYSA-N
-rxn:4:173854:223528,CCOC(=O)CC(=O)c1cc(F)cc(-c2ccc(F)c(CN3CCN(C(=O)OC(C)(C)C)CC3)c2)c1,ZJGMBSPPWNBGLF-UHFFFAOYSA-N
-rxn:4:173867:223787,CCOc1ccc(-c2ccc(OCCCN3CCN(C)CC3)c(F)c2)cc1OCC(F)(F)F,BDAJNJGUVOOGSE-UHFFFAOYSA-N
-rxn:4:173921:223712,COC(=O)C(C(=O)OC)c1cccc(-c2ccc(OC)c(C34CC5CC(CC(C5)C3)C4)c2)c1,SFYSCYPFKXGRJW-UHFFFAOYSA-N
-rxn:4:174014:223581,COC(=O)c1cccc2cc(-c3ccc(OCC(=O)C4CC4)cc3C(F)(F)F)n(C(=O)OC(C)(C)C)c12,SUISHHZMLXDYEF-UHFFFAOYSA-N
-rxn:4:174164:222511,CCOC(=O)C(C)(C)Oc1c(F)cc(-c2cc(C(=O)NC3CCCCC3)cc([N+](=O)[O-])c2)cc1F,VGZPPWCVWATMNJ-UHFFFAOYSA-N
-rxn:4:174247:223608,COC(=O)c1cc(-c2cccc(OC(F)(F)F)c2)ccc1-c1ccc(OC(F)(F)F)c(S(=O)(=O)N2CCOCC2)c1,ZZUGYJYTQMKRNH-UHFFFAOYSA-N
-rxn:4:174308:222545,COC(=O)C(C)(C)COc1ccc(-c2ccc(C(C)(C)NC(=O)OC(C)(C)C)cc2)c(C)c1,WQGVJZRJZRYGJK-UHFFFAOYSA-N
-rxn:4:174316:224485,COc1ccc(OCC(=O)C(C)(C)C)cc1-c1ccn([Si](C(C)C)(C(C)C)C(C)C)c1,QSFDQKYYNMOZEG-UHFFFAOYSA-N
-rxn:4:174401:222605,COC(=O)c1cc(-c2cc(S(=O)(=O)NC3CCCC3)ccc2OC)ccc1S(=O)(=O)c1ccc(OC)cc1,JRZILHOEPGYFMB-UHFFFAOYSA-N
-rxn:4:174407:224650,COC(=O)C1(c2cccc(-c3cc(F)ccc3OCC3CCOCC3)c2)CC(OC)(OC)C1,GWDUYGMHYWHJBW-UHFFFAOYSA-N
-rxn:4:174429:224720,CC(C)(C)OC(=O)n1cc(-c2cccc(OC(C)(C)C(=O)OC(C)(C)C)c2)c(C2CC2)n1,LJCUZHIABIIMPO-UHFFFAOYSA-N
-rxn:4:174500:224719,COc1ccc(F)c(-c2cc(C(=O)OC(C)(C)C)cc(-c3cn(C(=O)OC(C)(C)C)nc3C(C)C)c2)c1,ZUBDTCWKOVQOEL-UHFFFAOYSA-N
-rxn:4:174518:222884,CC(C)[Si](Oc1ccc(F)c(-c2cc(F)cc(C(=O)NC(C)(C)C)c2)c1)(C(C)C)C(C)C,SJNNSUCOMHZWRM-UHFFFAOYSA-N
-rxn:4:174656:223583,COC(=O)c1ccc2c(-c3cccc4cccc(C#C[Si](C(C)C)(C(C)C)C(C)C)c34)cn(C(=O)OC(C)(C)C)c2c1,QYMSBNSILLNPCL-UHFFFAOYSA-N
-rxn:4:174718:222514,COc1ccc(-c2cc(F)cc(COCC(F)(F)F)c2)cc1S(=O)(=O)NC1CCCCC1,WQOXKXZTAWRDIN-UHFFFAOYSA-N
-rxn:4:174729:222542,COC(=O)c1cc(-c2ccc(C)c(OCCCN3CCNCC3)c2)ccc1OC(F)(F)F,ZQFULTPPVWHXST-UHFFFAOYSA-N
-rxn:4:174799:223696,COc1ccc(OCC(F)F)c(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc2)c1,ZRFFQSPZBLHSEF-UHFFFAOYSA-N
-rxn:4:174805:223597,COc1ccc(-c2ccc(OCCN3CCC4(CC3)OCCO4)c(Cl)c2)cc1OCC(F)F,GTNWHMCUUHECED-UHFFFAOYSA-N
-rxn:4:175089:224101,CC1CCN(CCOc2cccc(-c3ccc(COS(C)(=O)=O)cc3C(F)(F)F)c2)CC1,WQVCTQXARZILQN-UHFFFAOYSA-N
-rxn:4:175664:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cc(C(F)(F)F)cc(F)c1C(=O)OC(C)(C)C,AORXRGPHGSDELX-UHFFFAOYSA-N
-rxn:4:175827:222822,COC(=O)c1cc(F)c(OC2CCCC2)cc1-c1cc(S(=O)(=O)NC2CC2)c(C)cc1F,QFCTWYAOQUOTAZ-UHFFFAOYSA-N
-rxn:4:176101:222573,CC(C)(C)[Si](C)(C)OCc1cc(F)c(-c2cc(F)cc(C(=O)NCC3CCCCC3)c2)c(F)c1,KIMCRTGISNDDJQ-UHFFFAOYSA-N
-rxn:4:176293:225221,CC1CCCN(c2cc(-c3ccc(C=C4Oc5cc(OC(=O)C(C)(C)C)ccc5C4=O)cc3)c(F)cn2)C1,RMRHQLPCIOQIOM-UHFFFAOYSA-N
-rxn:4:176302:223588,Cc1ccc(C=C2Oc3cc(OS(=O)(=O)c4ccc(-c5cnc(N6CCN(C(=O)OC(C)(C)C)CC6)c(C)c5)cc4)ccc3C2=O)cc1,JCHULXNWQLDYKY-UHFFFAOYSA-N
-rxn:4:176322:227044,CCC1(CC)CC(C)(C)c2c1cc1c(c2-c2ccc(C(=O)C3CC3)cc2)C(C)(C)CC1(CC)CC,WAGNBUBYGQUUTD-UHFFFAOYSA-N
-rxn:4:176322:227240,CCC1(CC)CC(C)(C)c2c1cc1c(c2-c2ccc(COC(C)=O)cc2)C(C)(C)CC1(CC)CC,KQVINQSDMBRIOW-UHFFFAOYSA-N
-rxn:4:176322:227912,CCC1(CC)CC(C)(C)c2c1cc1c(c2-c2ccc(C(C)OC)cc2)C(C)(C)CC1(CC)CC,IIFWYNAKGFMPMB-UHFFFAOYSA-N
-rxn:4:176517:222752,Cc1cc(NC(=O)OC(C)(C)C)ccc1-c1cc(C(F)(F)F)cc(F)c1C(=O)C(F)(F)F,HXYCWAJLGXDRJF-UHFFFAOYSA-N
-rxn:4:176820:223592,CCCOc1c(F)cc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2Cl)cc1F,ICIUUPNTHBSWAY-UHFFFAOYSA-N
-rxn:4:177179:223541,COC(=O)Cc1cc(C)c(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC3(CC2)OCCO3)cc1F,CDSLZSPZCUANMB-UHFFFAOYSA-N
-rxn:4:177247:223482,CC(C)CSc1cccc(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)c1,BRIFTDURTLQTND-UHFFFAOYSA-N
-rxn:4:177841:223539,COc1ccc(-c2cccc(S(=O)(=O)CC3CCC3)c2)cc1S(=O)(=O)N1CCC2(CC1)OCCO2,YURIACIDBQYWGQ-UHFFFAOYSA-N
-rxn:4:177979:222466,COC(=O)C1(C)OC1(C)c1ccccc1-c1cc(C2CCCCC2)nc(C2CCNCC2)c1,FEJHXKJNVNHNBZ-UHFFFAOYSA-N
-rxn:4:178121:223712,COc1ccc(-c2c(Cl)cccc2OCC2CCOCC2)cc1C12CC3CC(CC(C3)C1)C2,PTFPOYJCIKGVQX-UHFFFAOYSA-N
-rxn:4:178328:222723,O=S(=O)(CC1CCCCC1)c1ccc(-c2cccc(NS(=O)(=O)N3CCOCC3)c2)cc1,JBGZNQWPZAOXBU-UHFFFAOYSA-N
-rxn:4:178369:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3c(C(C)C)cc(C(C)C)cc3C(C)C)c2)CC1,CLCCMJYOXLUOGQ-UHFFFAOYSA-N
-rxn:4:178382:222843,Cc1ccc(-c2cc(C(C)(C)C)c(C(C)(C)C)c(C(C)(C)C)c2)c(C(=O)NC(C)(C)C)c1,NUISYMMVVQYGQF-UHFFFAOYSA-N
-rxn:4:178384:227471,CCCOc1ncc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)cc1Cl,AUZPBFUSDSJHDR-UHFFFAOYSA-N
-rxn:4:178497:222514,COc1ccc(-c2ccc(OC)c(S(=O)(=O)C34CC(C3)C4)c2)cc1S(=O)(=O)NC1CCCCC1,BZVDWDZDAYZCCT-UHFFFAOYSA-N
-rxn:4:178588:224128,CN(C(=O)c1ccc(-c2ccc3c(c2)CCC(O[Si](C)(C)C(C)(C)C)C3)cc1)C1CCCCC1,QONHRACVXZQLAL-UHFFFAOYSA-N
-rxn:4:178588:224599,CC(C)(C)[Si](C)(C)OC1CCc2cc(-c3cc(C(=O)C4CCCCC4)ccc3F)ccc2C1,ASQAHTHGXDRUHJ-UHFFFAOYSA-N
-rxn:4:178594:226374,Fc1cc(OCC23CC4CC(CC(C4)C2)C3)c(Cl)cc1-c1cncnc1C1CCCCC1,JTUCCLBTXSOSBL-UHFFFAOYSA-N
-rxn:4:179305:223814,CC(=O)c1c(Cl)cc(C(F)(F)F)cc1-c1ccc(CN2CCC3(CC2)OCCO3)cc1F,WUPPUHLOQALUIO-UHFFFAOYSA-N
-rxn:4:179733:223559,CC(=O)c1cc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)cc(C(C)(F)F)c1,USEIIYXJBOYXDQ-UHFFFAOYSA-N
-rxn:4:180456:223787,Cc1ccc(OC2CCCCC2)cc1-c1ccc(OCCCN2CCN(C)CC2)c(F)c1,YSBXLBZFBLXWAP-UHFFFAOYSA-N
-rxn:4:180480:223815,Cc1cc(-c2ccc(Cl)c(CN3CCC4(CC3)OCCO4)c2)cc(C)c1OC1CCCCO1,UTEAUHKIDVQUFF-UHFFFAOYSA-N
-rxn:4:180495:222389,c1cc(C2CC2)c(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)cc1C1CCOCC1,UVKGRXSSSCZSLJ-UHFFFAOYSA-N
-rxn:4:180792:225055,CCOC1CCC2(CC1)Cc1ccc(-c3ccc(N4CCCC(C)C4)cc3Cl)cc1C2=O,URVLZJGNTOJKCV-UHFFFAOYSA-N
-rxn:4:180815:223814,COc1ccc(-c2ccc(CN3CCC4(CC3)OCCO4)cc2F)cc1C12CC3CC(CC(C3)C1)C2,VNHOXBWSJRDFJD-UHFFFAOYSA-N
-rxn:4:182038:223573,Cc1cc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)cc2)cc(C2(C)OCCO2)c1,ZYORFCURMILYSW-UHFFFAOYSA-N
-rxn:4:182372:223755,CO[C@H]1CC[C@]2(CC1)Cc1ccc(-c3ccc(OCCCN4CCC(C)CC4)c(F)c3)cc1C2=O,YWHYWHOLSFUHSD-BEESLVRJSA-N
-rxn:4:182376:224591,CO[C@H]1[C@H](C)C[C@@]2(Cc3ccc(-c4ccc(Cl)c(CN5CCC(C)CC5)c4)cc3C2=O)C[C@@H]1C,GBSIVLQBBBOCAV-CAKCGFARSA-N
-rxn:4:182376:225619,CO[C@H]1[C@H](C)C[C@@]2(Cc3ccc(-c4ccc(Cl)cc4OC4CCCC4)cc3C2=O)C[C@@H]1C,MBAVBNITLRBDQR-OSELZAKSSA-N
-rxn:4:182970:223598,O=C1CCOc2c1cc(-c1ccc(OCCN3CCC4(CC3)OCCO4)c(F)c1)c(F)c2F,SCQOBNSHCCUTMJ-UHFFFAOYSA-N
-rxn:4:183270:223582,COC(=O)c1ccc2cc(-c3cc4c(cc3C)C(C)(C)CCC4(C)C)n(C(=O)OC(C)(C)C)c2c1,ILEJYUAKPWBGDU-UHFFFAOYSA-N
-rxn:4:183271:225852,Clc1nc(C2CCCCC2)ncc1-c1ccc2c(c1)OCCOCCOCCOCCO2,YZLPUJTYVCXIBF-UHFFFAOYSA-N
-rxn:4:183272:222593,Cc1cccc(NS(=O)(=O)c2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCO4)cc2)c1,ZENUEVGOAPVFFG-UHFFFAOYSA-N
-rxn:4:183272:226180,Cc1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCO3)cc(C2CCCC2)n1,QEEQWRKNAKJFHH-UHFFFAOYSA-N
-rxn:4:183273:228920,CSc1nccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1F,ILDUGPOQZILFBI-UHFFFAOYSA-N
-rxn:4:183274:228621,CSc1cc(C)ccc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCOCCO2,WJCNZTRDLCQAID-UHFFFAOYSA-N
-rxn:4:183274:228973,Fc1ncc(Cl)c(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCOCCO3)c1F,BSTVMBXHQKHRNJ-UHFFFAOYSA-N
-rxn:4:183274:228982,C#Cc1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCOCCO3)cc1,OGGAOMCOXJNNHA-UHFFFAOYSA-N
-rxn:4:183484:224283,COC(=O)C(C(=O)OC)c1cc(-c2cnc(OC(C)(C)C)nc2OC(C)(C)C)ccc1C#N,IKGRRXRHJFWICH-UHFFFAOYSA-N
-rxn:4:183510:223885,CCOC(=O)Cc1cc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3)c(C(F)F)cc1C#N,VHFPMBLOAGCHNS-UHFFFAOYSA-N
-rxn:4:183542:224746,CCOC(=O)Cc1cc(-c2ccc(N3CCN(C(C)=O)CC3)nc2)c(C#N)cc1C(F)(F)F,FPVNNLSDIRSFDQ-UHFFFAOYSA-N
-rxn:4:183543:223975,CCOC(=O)Cc1c(-c2cn(C(=O)OC(C)(C)C)c3ccc(Cl)nc23)ccc(C(F)(F)F)c1C#N,BGCKMRQOOPIOAL-UHFFFAOYSA-N
-rxn:4:183581:223529,CCOC(=O)c1cc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)c(F)c2)cc(C(=O)OCC)n1,FHTDVPOBTNTPAW-UHFFFAOYSA-N
-rxn:4:183605:224827,COC(=O)c1ccc(OC(F)(F)F)cc1-c1cc([N+](=O)[O-])c(C(=O)OC)cc1OCC1CC1,MBGCGTUSAUWPET-UHFFFAOYSA-N
-rxn:4:183638:223835,CCN(CC)C(=O)c1cc(-c2cc(S(=O)(=O)N3CCC(C)CC3)c(C)cc2F)ccc1OC(F)(F)F,UHIZLANVSVTDJM-UHFFFAOYSA-N
-rxn:4:183641:224431,Cc1cccc(CN(C(C)C)C(C)C)c1-c1cccc(OCCC(=O)ON2C(=O)CCC2=O)c1,BJXLPBZNOHXHRR-UHFFFAOYSA-N
-rxn:4:183704:222841,O=C(NC1CCCC1)c1ccc(-c2ccc(OC[C@@H]3CCCN3C(=O)OC(F)(F)F)c(F)c2)cc1,KSRRUUSJCIGSER-FQEVSTJZSA-N
-rxn:4:183745:223077,COC(=O)CSC1CCN(C(=O)c2cccc(-c3ccc(S(=O)(=O)NC4CC4)cc3)c2)C1,RBMDKFMIBPKFNL-UHFFFAOYSA-N
-rxn:4:183769:224877,O=C(COc1ccc(OC(F)(F)F)cc1-c1ccc(COC2CCCCC2)cc1)N1CCCCC1,QDTWSKPGFVCLLV-UHFFFAOYSA-N
-rxn:4:183825:222912,CC(C)CNS(=O)(=O)c1ccc(-c2cc(Cl)cc(CN(C(=O)OC(C)(C)C)C3CC3)c2)cc1,ZOQAAPNMOXEKEX-UHFFFAOYSA-N
-rxn:4:183837:224826,CCOC(=O)c1cc(-c2ccc(OCC(=O)N3CCC(C(=O)OC)CC3)cc2)cnc1C(F)(F)F,PILIGVLQLOUXTD-UHFFFAOYSA-N
-rxn:4:183871:224772,CC(C)(C)OC(=O)N1CC(COc2cccc(-c3ccc(C(=O)N4CCOCC4)cc3Cl)c2)C1,KVXWMVFTFHASJU-UHFFFAOYSA-N
-rxn:4:183892:224884,COC(=O)c1cc(OCCN2CCC(F)(F)CC2)cc(-c2cccc(CN3CCC(C)CC3)c2)c1,XMNRWTLJOWSELU-UHFFFAOYSA-N
-rxn:4:183909:226560,CCOc1cc(F)c(-c2cc(OC3CN(C(=O)OC(C)(C)C)C3)ccc2OC)cc1OC,IIDKEIVBEDUZPU-UHFFFAOYSA-N
-rxn:4:183941:226287,CCCCN(C1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(-c2ccc(Cl)cc2OCC(C)C)cc1,XDPBJAMFMTZMAV-UHFFFAOYSA-N
-rxn:4:183965:226529,CCOC(=O)c1ccc(Cl)c(-c2cc(OCCN3CCCC(C)C3)cc(C(=O)OC)c2)c1,XYQIXWHSSLDOPV-UHFFFAOYSA-N
-rxn:4:183984:222838,Cc1cc(-c2ccc(CNC(=O)C(C)(C)C)cc2)ccc1CN(C(=O)OC(C)(C)C)C(C)C,LBAFTAFXXOHABA-UHFFFAOYSA-N
-rxn:4:183995:225390,Cc1cc(CN(C(=O)OC(C)(C)C)C2CCC2)cc(-c2cc(CC(C)C)cc(C3CC3)c2)c1,DNRKZTBAPQQKFL-UHFFFAOYSA-N
-rxn:4:183998:224327,CC1CCCN(S(=O)(=O)c2cccc(-c3ccc(CN(C(=O)OC(C)(C)C)C4CCCC4)c(F)c3)c2)C1,QQYAKXPKRXASPL-UHFFFAOYSA-N
-rxn:4:184004:222931,COc1ccc(CCN2C(=O)C(=Cc3ccc(-c4cnc(Cl)c(N5CCCCC5O)c4)cc3)SC2=S)cc1OC,FAFBEBPFNPJHRI-UHFFFAOYSA-N
-rxn:4:184031:223934,CC(C)(C)OC(=O)N1CCCC(COc2cc(F)cc(-c3cc4ccc(F)cc4n3C(=O)OC(C)(C)C)c2)C1,XCRPIWQUJUJADX-UHFFFAOYSA-N
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-rxn:4:191062:226645,CS(=O)(=O)C1CC2CCC(C1)N2S(=O)(=O)c1ccccc1-c1ccnc(N2CCOCC2)c1,QIKGIOGUAXLGOM-UHFFFAOYSA-N
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-rxn:4:191087:222835,CC(C)CC(=O)NCc1ccc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CCC3(C)C)cc1,LPDDMZDTXQOXFR-UHFFFAOYSA-N
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-rxn:4:191116:222535,Cc1cccc(NC(=O)c2cccc(-c3ccc4c(c3)C(=O)CC43CCN(C(=O)OC(C)(C)C)CC3)c2)c1C,ULLSKYVHIBHDLV-UHFFFAOYSA-N
-rxn:4:191124:225376,CC(C)(C)OC(=O)N1CCC2(CCc3ccc(-c4cc(F)c(F)c(OCC(F)(F)F)c4)cc32)CC1,LBKPRTHUCILXBV-UHFFFAOYSA-N
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-rxn:4:191195:228985,Cc1ccc(-c2cc3c(c4c2CCC4)N(C(=O)OC(C)(C)C)C(C)(C)C(=O)C3C)c(C)c1,ODUODTDNKJYWHO-UHFFFAOYSA-N
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-rxn:4:193602:223920,CN(C(=O)c1ccc(-c2ccc(CN3CCS(=O)(=O)CC3)c(F)c2)c(Cl)c1)C1CCCCC1,OQLZRPNWEBOALV-UHFFFAOYSA-N
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-rxn:4:193643:225199,Fc1cc(-c2cc(C(F)(F)F)ccc2N2CCC(F)(F)CC2)cc(F)c1OC1CCCC1,GRAJPYYTEOIKKQ-UHFFFAOYSA-N
-rxn:4:193762:224255,CC1CCCN(C(=O)c2cc(F)cc(-c3cccc(C(=O)N4CCCCC4C)c3F)c2)C1,UVTATYZYXNEWRO-UHFFFAOYSA-N
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-rxn:4:193909:226685,O=C1C(=Cc2ccc(-c3cnc(C4CCOCC4)nc3)o2)SC(=S)N1C1CCCCC1,KICNMAWOOSNJCK-UHFFFAOYSA-N
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-rxn:4:193928:224394,Cc1cc(C(=O)N2CCCCC2C)cc(-c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)c1,LUNDZNMYHNVCQH-UHFFFAOYSA-N
-rxn:4:193936:224736,CC(C)COc1cc(C(F)(F)F)ccc1-c1ccc(C(=O)N2CC3(COC(C)(C)OC3)C2)o1,DZQLFEBOPVZKPV-UHFFFAOYSA-N
-rxn:4:193955:224162,Cc1cc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CC3)cc(C2(N3CCC(=O)CC3)CC2)c1,RMMKBUOXJCDDTD-UHFFFAOYSA-N
-rxn:4:193957:224328,Cc1ccc(-c2cccc(S(=O)(=O)N3CCCCC3C)c2)cc1S(=O)(=O)N1CCC(C)CC1,QEOKAJQFHGLQMI-UHFFFAOYSA-N
-rxn:4:193973:225094,CCCOc1cc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc2)cc(Cl)c1OCC,GZTHSGNXYPQQGG-UHFFFAOYSA-N
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-rxn:4:194259:223492,CCOc1cc2cccnc2cc1-c1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c(C)c1,LRXVYMASEJHGKK-UHFFFAOYSA-N
-rxn:4:194407:223572,CC1CCN(S(=O)(=O)c2ccc(-c3ccc(C(=O)N4CC5CC4CS5(=O)=O)o3)c3ccccc23)CC1,WHZGMNDOEGMDBQ-UHFFFAOYSA-N
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-rxn:4:203807:222697,CN1CCN(C(=O)Cc2cccc(-c3ccc(Cl)c(C(=O)N4CCC(O)CC4)c3)c2)CC1,LPLGDVKPBNHVGH-UHFFFAOYSA-N
-rxn:4:203810:224243,CC1CCCN(C(=O)Cc2cncc(-c3cc(F)cc(C(=O)N4CCCCC4C)c3)c2)C1,BSOMJVSWROHRBX-UHFFFAOYSA-N
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-rxn:4:203884:222693,CN1CCN(S(=O)(=O)Cc2ccc(-c3ccc(S(=O)(=O)NC4CCCCC4)cc3)cc2)CC1,OYVHSHHFWJJCGN-UHFFFAOYSA-N
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-rxn:4:203887:222624,CCS(=O)(=O)N1CCN(c2ccc(-c3cc(CC(C)C)nc(C4CCNCC4)c3)cc2)CC1,CAKDMFVBNSJGHV-UHFFFAOYSA-N
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-rxn:4:203992:223911,CCOC(=O)C1(c2ccc(-c3ccc(CN4CCN(C(C)C)CC4)cc3)cc2)CCOCC1,OSMYXKPRTUBURS-UHFFFAOYSA-N
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-rxn:4:204071:223686,CC(C)(C)[Si](C)(C)Oc1ccc(-c2ccc(CN3CCOCC3)c(N3CCCC3)c2)cc1OC(F)(F)F,JLRNEZDNYADOLD-UHFFFAOYSA-N
-rxn:4:204090:224678,CC(C)N1CCCC(Cc2cccc(-c3ccc(F)c(C(=O)N4CCCCC4)c3)n2)CC1,WLCNHJCXGKUXLL-UHFFFAOYSA-N
-rxn:4:204114:226558,CCCOc1c(F)ccc(-c2ccc(C(=O)N3CCCN(C4CCSCC4)CC3)o2)c1F,RUICWUYDSHHNMG-UHFFFAOYSA-N
-rxn:4:204115:226482,COCCOc1ncc(-c2ccccc2S(=O)(=O)N2CCCN(C3CCC3)CC2)cc1C,ZOXPPORBDZTJQR-UHFFFAOYSA-N
-rxn:4:204128:223917,CN(C(=O)c1cc(F)cc(-c2ccc(C(=O)N3C(=S)C(c4ccccc4)=NC34CCCC4)cc2)c1)C1CCCCC1,QXQGCTLIMXHZLX-UHFFFAOYSA-N
-rxn:4:204135:223176,CS(=O)(=O)NCc1cccc(-c2ccccc2S(=O)(=O)N2CCCN(C3CCSC3)CC2)c1,OIQHBFNPLFYLME-UHFFFAOYSA-N
-rxn:4:204152:224595,COc1cc(N2CCCC(C)C2)ccc1-c1ccc(CN2CCC(F)(F)CC2)c(N2CCCCC2)c1,LPOVSHXENWILLP-UHFFFAOYSA-N
-rxn:4:204176:225357,CCOc1cc(-c2ccc(C3=NC4(CCCCCC4)N(C(=O)c4ccc(Cl)cc4)C3=S)cc2)c(F)c(C(F)(F)F)c1,JRFBAMGWSPMRPM-UHFFFAOYSA-N
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-rxn:4:204265:223541,CCOC(=O)c1cc2cc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCC4(CC3)OCCO4)[nH]cc-2n1,VDXQMNQVWBWUNF-UHFFFAOYSA-N
-rxn:4:204596:223896,COc1cccc(-c2ccc3c(n2)N(C(=O)OC(C)(C)C)CCC3)c1C(=O)N(C(C)C)C(C)C,WOKOLROAUSVCAC-UHFFFAOYSA-N
-rxn:4:204683:224722,CN(C(=O)OC(C)(C)C)c1cc(-c2cnc3c(c2)N(C(=O)OC(C)(C)C)CC3(C)C)ccn1,XANXLRCZLAUGPD-UHFFFAOYSA-N
-rxn:4:204697:224059,COC(=O)C1=C(C)N=C2SC(C)C(=O)N2C1c1ccc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2OC)cc1,ZDTFSKPGGUOPQU-UHFFFAOYSA-N
-rxn:4:204723:224485,CC(C)C(=O)N=C1SC2CS(=O)(=O)CC2N1c1ccc(-c2ccn([Si](C(C)C)(C(C)C)C(C)C)c2)cc1,ULIAMZGOWAFFHU-UHFFFAOYSA-N
-rxn:4:204764:228906,O=C1C2CC=CCC2C(=O)N1C1CN(S(=O)(=O)c2ccc(-c3ccnc(C(F)F)c3)cc2)C1,GHDSCUXCSZQHJD-UHFFFAOYSA-N
-rxn:4:204764:228923,CSc1ccnc(F)c1-c1ccc(S(=O)(=O)N2CC(N3C(=O)C4CC=CCC4C3=O)C2)cc1,REGYQQBRJJLCTO-UHFFFAOYSA-N
-rxn:4:204764:228929,O=C1C2CC=CCC2C(=O)N1C1CN(S(=O)(=O)c2ccc(-c3cncc(C(F)F)c3)cc2)C1,KPOHOHZAFIKMMV-UHFFFAOYSA-N
-rxn:4:204829:226260,COCC(C)Oc1cccc(-c2ccc(N3C=C(C(=O)N4CCCC4)S(=O)(=O)c4ccccc43)cc2C)c1,DDQVMUXRJXNWFE-UHFFFAOYSA-N
-rxn:4:204865:224421,CC1CCN(C(=O)C2=CN(c3cccc(-c4c(C(C)C)cc(C(C)C)cc4C(C)C)c3)c3ccccc3S2(=O)=O)CC1,LDUUBBZGAYTQHT-UHFFFAOYSA-N
-rxn:4:204870:224808,Cc1cc(N2C=C(C(=O)N3CCCCC3)S(=O)(=O)c3ccc(F)cc32)ccc1-c1cnn(-c2cccc(C(F)(F)F)c2)c1,ANGBSXNZRHWILM-UHFFFAOYSA-N
-rxn:4:205483:223507,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccccc2-c2cncc(OC3CCC3)n2)CC1,AFEGXEPCDVTXNB-UHFFFAOYSA-N
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-rxn:4:206342:223809,O=C(c1cccc(-c2cc(N3CCOCC3)cc(N3CCOCC3)c2)n1)N1CCSCC1,RCGNJHXSZKPSGN-UHFFFAOYSA-N
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-rxn:4:206673:223608,Cn1c(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCOCC3)c2)cnc1OC1CCCCC1,JCQQQZYKFPJOTA-UHFFFAOYSA-N
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-rxn:4:206981:223526,Cc1cc(-c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cc2)cnc1N1CCC(C(F)(F)F)CC1,YTVQKCZQJRBHSO-UHFFFAOYSA-N
-rxn:4:206995:224018,CC(C)c1cc(C2CCOCC2)nc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCOCC2)n1,LJYVPIBLPNHQCM-UHFFFAOYSA-N
-rxn:4:207068:224364,CC(C)COc1cc(OC(F)(F)F)cc(-c2ccc(N3CCN(C)CC3)c(C3CC3)c2)c1,NXOBBFSBSDPMDD-UHFFFAOYSA-N
-rxn:4:207073:223994,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1ccc(N2CCN(C)CC2)cc1C1CC1,LQUUSTATNLEWKM-UHFFFAOYSA-N
-rxn:4:207091:223652,COc1ccc(Cl)c2cc(-c3ccc(N4C(=O)CC(N5CCCCCC5)C4=O)cc3)n(C(=O)OC(C)(C)C)c12,NUWZSRXGGHOWPE-UHFFFAOYSA-N
-rxn:4:207575:223712,CCn1ncc(-c2ccc(OC)c(C34CC5CC(CC(C5)C3)C4)c2)c1C12CCCCC1O2,TTZBWGXFMMMWSA-UHFFFAOYSA-N
-rxn:4:207656:223507,Cc1nc2ccccc2n1S(=O)(=O)c1ccc(-c2ccccc2S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1,HAQNGQCSEYILCG-UHFFFAOYSA-N
-rxn:4:207779:224392,Cc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1ccc(S(=O)(=O)N2CCN3CCC2CC3)cc1,AIMOQZBWWMYJJZ-UHFFFAOYSA-N
-rxn:4:209239:223528,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3cncc(C4=NCCC4)c3)ccc2F)CC1,VDLJVFPYTQRYNK-UHFFFAOYSA-N
-rxn:4:209627:223536,CC(C)(C)OC(=O)N1CCN(c2cc(-c3ccc(N4CCSCC4)nc3)cc(F)c2F)CC1,DYRBQVCJXIMHIJ-UHFFFAOYSA-N
-rxn:4:209818:223595,Cc1ccc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c(F)c2)cc1N1CCN(C)C1=O,WQKXMMZQTDQDKS-UHFFFAOYSA-N
-rxn:4:209921:223489,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3ccc([N+](=O)[O-])c4scnc34)cc2)CC1,ROKQYCIUMYTTQC-UHFFFAOYSA-N
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-rxn:4:210681:223649,CC(C)(C)OC(=O)N1CCN(c2cccc(-c3ccc(C4=CSC5=NCCN45)cc3)c2)CC1,PYBLDVCNGMOBCK-UHFFFAOYSA-N
-rxn:4:210864:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3ccc4nc(N5CCOCC5)sc4c3)c2Cl)CC1,VKEWWQHHCPSHSV-UHFFFAOYSA-N
-rxn:4:210979:223823,CC(C)(C)OC(=O)N1CCC(n2cc(-c3ccc4cn(C5CCCC(=O)C5)nc4c3)cn2)CC1,BTAKEERYWAVOCX-UHFFFAOYSA-N
-rxn:4:211099:224582,Cc1ccc(C2=NN3C(C2)c2cc(-c4cccc(N5CCN(C6CC6)CC5)c4)ccc2OC32CCCC2)cc1,STBGMGMYKGXNCC-UHFFFAOYSA-N
-rxn:4:211101:223140,Cc1ccc(C2=NN3C(C2)c2cc(-c4ccnc(C5CCCNC5)c4)ccc2OC32CCC(C)CC2)cc1,IEMYUWCAUWTEPO-UHFFFAOYSA-N
-rxn:4:211101:226062,Cc1ccc(C2=NN3C(C2)c2cc(-c4cc(C(C)C)cc(C(C)C)c4)ccc2OC32CCC(C)CC2)cc1,WWFRJGOYHVDJSR-UHFFFAOYSA-N
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-rxn:4:212888:224719,CC(C)c1nn(C(=O)OC(C)(C)C)cc1-c1cnc(CN(C)C(=O)OC(C)(C)C)nc1,LROSNDBMRLEIKJ-UHFFFAOYSA-N
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-rxn:4:213079:222945,CC(C)NS(=O)(=O)c1ccc(-c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cn2)cc1F,AUOVYSNENYBPHX-UHFFFAOYSA-N
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-rxn:4:213097:225899,Cc1cc(-c2ccc(C3(C#N)CCN(C(=O)OC(C)(C)C)CC3)nc2)n(C(=O)OC(C)(C)C)n1,UXBKVDKWAYMDJS-UHFFFAOYSA-N
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-rxn:4:213123:225751,COc1cc(C(=O)N(C)C)ccc1-c1ccccc1CC(=O)N1CCN(c2ccnc(C(F)(F)F)c2)C(=O)C1,ZIGPAJSCJMRXJM-UHFFFAOYSA-N
-rxn:4:213123:226643,O=C(Cc1ccccc1-c1ccc(N2CCOCC2)nc1)N1CCN(c2ccnc(C(F)(F)F)c2)C(=O)C1,MCMJLTQVURDIKO-UHFFFAOYSA-N
-rxn:4:213134:226514,CCc1cnc(C(=O)OC)cc1-c1cnc(OC2CCN(C(=O)C(C)(C)CC)CC2)nc1,HEHVGNFNIONRLK-UHFFFAOYSA-N
-rxn:4:213143:225572,COC(=O)c1ccc(C2CC2)cc1-c1ccc([N+](=O)[O-])c(N2CCN(C(=O)OC(C)(C)C)CC2)c1,MXYCGELVKLUUOA-UHFFFAOYSA-N
-rxn:4:213147:223057,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cncc(-c3cc(Cl)nc(C4CCCNC4)c3)c2)CC1,ILWGMLHVUKUGCC-UHFFFAOYSA-N
-rxn:4:213162:225228,COc1ccc(S(=O)(=O)N2CCC(Oc3ncc(-c4ccc(N5CCN(C)CC5)cc4F)cn3)CC2)cc1F,AAYSUVYMWGBWBJ-UHFFFAOYSA-N
-rxn:4:213207:224313,COc1ccc(-c2ccc(Cl)c(C(=O)N3CCN(C)CC3)c2)c(C(=O)N2CCC(c3nnc(-c4ccco4)s3)CC2)c1,DBIALPHHPATBEE-UHFFFAOYSA-N
-rxn:4:213226:225177,CC(C)(C)OC(=O)N1CCC[C@H]1c1ncc(-c2cccc(-c3ccc(CN4CCSCC4)c(F)c3)c2)[nH]1,ILBZTQBABAXNMC-SANMLTNESA-N
-rxn:4:213236:223054,COc1ccc(S(=O)(=O)N2CCCC(Oc3ncc(-c4ccc(C(C)N5CCC(O)C5)s4)cn3)C2)cc1C,FPSYNLJPOYDDEQ-UHFFFAOYSA-N
-rxn:4:213253:222806,CCCNC(=O)c1cc(-c2cnccc2OC2CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)C2)cc([N+](=O)[O-])c1,DTJUPTQSBOAKEF-UHFFFAOYSA-N
-rxn:4:213261:226303,CCCC(=O)c1ccc(Cl)c(-c2ccc(CN3CCN(CC(F)(F)F)CC3)c(N3CCOCC3)c2)c1,HYZBPJOVRCWUDV-UHFFFAOYSA-N
-rxn:4:213262:224720,CN(C)c1ccc(C(=S)N2CCN(C(=S)c3ccc(-c4cn(C(=O)OC(C)(C)C)nc4C4CC4)cc3)CC2)cc1,ZHHNXISBYNFSGW-UHFFFAOYSA-N
-rxn:4:213279:223480,Cc1ccc(S(=O)(=O)N2N=C(c3ccc(-c4cc(C)c(S(=O)(=O)N5CCN(C(=O)OC(C)(C)C)CC5)c(C)c4)cc3)CC2c2cccc([N+](=O)[O-])c2)cc1,BCWPVTVBIHJFID-UHFFFAOYSA-N
-rxn:4:213281:226418,Cc1nc(-c2ccccc2)sc1-c1cccnc1OC1CCN(C(=O)C2CCN(S(C)(=O)=O)CC2)CC1,ILOSAWCDYHPITL-UHFFFAOYSA-N
-rxn:4:213336:225746,COC(=O)c1nc(-c2cccnc2C(=O)OC(C)(C)C)n2c1CCN(C(=O)OC(C)(C)C)CC2,OJFDNVABWIZEAG-UHFFFAOYSA-N
-rxn:4:213355:224863,CC(C)CS(=O)(=O)C1CN(C(=O)c2c3ccc(-c4ccccc4CN(C(C)C)C(C)C)cc3nn2C)C1,CAIVDWVCKKAJRJ-UHFFFAOYSA-N
-rxn:4:213398:224817,CN(C)CCCn1c(-c2ccc(-c3ccccc3S(=O)(=O)N3CCOCC3)cc2)nc(=S)c2c1CCCC2,IEYDPWVVDREEGC-UHFFFAOYSA-N
-rxn:4:213412:228022,CC(C)CS(=O)(=O)C1CCN(C(=O)c2c3ccc(-c4cc(Cl)ccc4C(C)C)cc3nn2C)CC1,YCZGJDXGRQIQBQ-UHFFFAOYSA-N
-rxn:4:213476:224852,Cc1cc(C)cc(-c2ccc(-c3cccc([C@@H]4[C@@H](C(=O)C56CC7CC(CC(C7)C5)C6)N5c6ccccc6C=C[C@@H]5C4(C#N)C#N)c3)cc2)c1,SLOAOEJSNRPYLW-ONPUAACMSA-N
-rxn:4:213684:223636,CC(C)(C)OC(=O)N1CCCC(c2ccc(-c3cnn(CC4CN(CC5CCCO5)C4)c3)cc2)C1,KSTRVGNPNXDFEI-UHFFFAOYSA-N
-rxn:4:213713:225286,CC(C)(C)OC(=O)c1cnc(F)cc1-c1cnc([C@@H]2CCCN2C(=O)OC(C)(C)C)[nH]1,OXSWWKZSNFSLIN-INIZCTEOSA-N
-rxn:4:213719:222741,COC1CCN(C(=O)C(C)n2cc(-c3cc(C4CC4)nc(C4CCCNC4)c3)cn2)CC1,WQLJINMFJQYNHX-UHFFFAOYSA-N
-rxn:4:213721:222936,CCC(=O)NS(=O)(=O)c1ccc(-c2ccn(C3CCN(C(=O)OC(C)(C)C)C3)n2)cc1,VYBIFINXMRXSNN-UHFFFAOYSA-N
-rxn:4:213755:222889,CC(C)(C)OC(=O)N1CCN(c2nc(-c3cc(F)cc(CN4CCNCC4)c3)cs2)CC1,WJXYFSPMHANCDA-UHFFFAOYSA-N
-rxn:4:213786:224502,CN1CCCCC1COc1cccc(-c2ccccc2S(=O)(=O)N2CC(S(=O)(=O)c3nccn3C)C2)c1,KSOOLWVLVILJBH-UHFFFAOYSA-N
-rxn:4:213800:222582,CC(C)(C)OC(=O)N1CCOCC1c1cc(-c2cccc(C(=O)NCCN3CCOCC3)c2)ncn1,IBWIUVWKKISSMY-UHFFFAOYSA-N
-rxn:4:213931:225518,CCCCCOc1ncc(C)cc1-c1cc(C(F)(F)F)cnc1N1CCOC(C(=O)N2CCCC2)C1,BMBMSBBPVHKYOF-UHFFFAOYSA-N
-rxn:4:213941:222637,Cc1c(-c2ccc(C(C)NC(=O)OC(C)(C)C)cc2)cnn1C1CCN(C(=O)OC(C)(C)C)CC1,SRMAUZVQUPRAOZ-UHFFFAOYSA-N
-rxn:4:213971:225164,O=C(C1CN(c2ncc(C(F)(F)F)cc2-c2ccc(Oc3ccccc3F)nc2)CCO1)N1CCOCC1,WZUKZQAAJZIMRO-UHFFFAOYSA-N
-rxn:4:213974:224356,CC(C)(C)OC(=O)N1CCCN(c2cccc(-c3cc4sc(Cl)cc4n3C(=O)OC(C)(C)C)n2)CC1,RJZBBIQTXUUJRK-UHFFFAOYSA-N
-rxn:4:213985:223093,Cc1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)c(-c2cncc(NS(=O)(=O)C(C)C)c2)c1,IDTGGHOMTUACBO-UHFFFAOYSA-N
-rxn:4:213997:226292,CC(C)OC(=O)c1ccc(-c2cnccc2N2CCN(C(=O)OC(C)(C)C)C(C)C2)cc1,FFKXLFPMCIRCGJ-UHFFFAOYSA-N
-rxn:4:213999:222936,CCC(=O)NS(=O)(=O)c1ccc(-c2cnc(C3CCN(C(=O)OC(C)(C)C)CC3C)nc2)cc1,HGYDKSBLKHVUQX-UHFFFAOYSA-N
-rxn:4:214018:223992,CC(=O)N1N=C(c2ccc(-c3ccc(C)c(S(=O)(=O)N4CCN(C)CC4)c3)cc2)CC1c1ccc(N(C)C)cc1,IPNUADOQKFHDHF-UHFFFAOYSA-N
-rxn:4:214033:222633,CC(C)[C@H]1COC(c2cc(-c3ccc(C(=O)NCCN4CCCC4)cc3)cc(C3=N[C@@H](C(C)C)CO3)n2)=N1,NWMFDGKGQAFZHX-KAYWLYCHSA-N
-rxn:4:214033:226444,Cc1nc(C2CCCO2)ccc1-c1cc(C2=N[C@@H](C(C)C)CO2)nc(C2=N[C@@H](C(C)C)CO2)c1,AZYYKOUCBMUUJU-AEAWWFNXSA-N
-rxn:4:214033:227957,Cc1nc(C(C)C)ccc1-c1cc(C2=N[C@@H](C(C)C)CO2)nc(C2=N[C@@H](C(C)C)CO2)c1,RJRFQTXJVZXLHI-DNQXCXABSA-N
-rxn:4:214034:223159,CCNC(=O)c1ccc(-c2cccc(C(=O)N3CCN(C(=O)N4CCCCC4)CC3)c2)cc1Cl,AMQZXUDGLQAZIL-UHFFFAOYSA-N
-rxn:4:214042:225878,O=C(c1ccc(-c2cc(Cl)cc(N3CCOCC3)c2)o1)N1CCC(N2CC(=O)N(c3ccccc3)C2=O)CC1,WBTOACCVSNGQCA-UHFFFAOYSA-N
-rxn:4:214051:227596,CC(C)c1sc(-c2cnc(N3CCCC3)nc2)nc1C(=O)N1CCN(C2CCS(=O)(=O)C2)CC1,GVBFWJHXLCTGFV-UHFFFAOYSA-N
-rxn:4:214065:223815,Cc1nn(C(=O)c2ccc(-c3ccc(Cl)c(CN4CCC5(CC4)OCCO5)c3)cc2)c(C)c1S(=O)(=O)N1CCC(C)CC1,DTKWZYZCGPDIQW-UHFFFAOYSA-N
-rxn:4:214065:224248,Cc1nn(C(=O)c2ccc(-c3ccc(C(=O)N4CCC(C)CC4)c(Cl)c3)cc2)c(C)c1S(=O)(=O)N1CCC(C)CC1,BNOBWBFTKXRPCR-UHFFFAOYSA-N
-rxn:4:214086:227626,CC(C)N1CCN(Cc2ccc(-c3cnc(C4CCOC4)nc3)cc2N2CCCCC2)CC1,LKTZQQBRXJCIOL-UHFFFAOYSA-N
-rxn:4:214145:223680,COc1cc(-c2cccc(C(F)(F)F)c2)c(F)cc1-c1nc(C(F)(F)F)n2c1CN(C(=O)OC(C)(C)C)CC2,QHLOGRXUUZKWQA-UHFFFAOYSA-N
-rxn:4:214162:224195,CCN1CCN(Cc2cc(-c3ccc4[nH]c(C(=O)N5CCN(CC(F)(F)F)CC5)cc4c3)ccc2Cl)CC1,GTYBQJFDHPPPQC-UHFFFAOYSA-N
-rxn:4:214190:224659,CC(=O)N1CCN(C(=O)Cn2ccc3c(-c4cccc(C(=O)N5CCN(C)CC5)c4)cccc32)CC1,VMPLGWDFSISRNH-UHFFFAOYSA-N
-rxn:4:214212:223998,CC1CCN(S(=O)(=O)c2ccc(-c3ccc(C(=O)N4CCN(C(=O)c5cc6ccccc6[nH]5)CC4)o3)cc2F)CC1,OBJPOEKTYOVPKN-UHFFFAOYSA-N
-rxn:4:214323:224669,CN1CCN(Cc2ccc(-c3ccc4ccn(CC(=O)N5CCN(C6CCS(=O)(=O)C6)CC5)c4c3)c(F)c2)CC1,PLRLVNAMLYZSTP-UHFFFAOYSA-N
-rxn:4:214386:222630,COc1cc(OC)c2cc(C(=O)N3CCc4[nH]c5c(-c6cc(C7CCC7)nc(C7CCNCC7)c6)cccc5c4C3)n(C)c2c1,IXUYIHZWLQTWOY-UHFFFAOYSA-N
-rxn:4:214635:222740,CC(C)c1cc(-c2cccc(N3CCN(CC(F)(F)F)CC3)n2)cc(C2CCCNC2)n1,FVQXGDDENLPEFE-UHFFFAOYSA-N
-rxn:4:214638:222823,CC(C)(C)NS(=O)(=O)c1ccc(-c2cnc(N3CCC(C(F)(F)F)CC3)c([N+](=O)[O-])c2)c(F)c1,HDBCCGQQWAGCJH-UHFFFAOYSA-N
-rxn:4:214686:223534,Cn1cc(-c2cc(C(=O)N3CCC3)cc(-c3cc(OC4CCN(C(=O)OC(C)(C)C)CC4)ncc3F)c2)cn1,GABHIINWKAWRPP-UHFFFAOYSA-N
-rxn:4:214706:224761,CS(=O)(=O)N1CCCC(Cc2cnc(-c3cccc(S(=O)(=O)N4CCCCC4)c3)cn2)C1,AMAQRBVBJSGQAK-UHFFFAOYSA-N
-rxn:4:214711:224194,CCN1CCN(Cc2ccc(-c3ccc(N4CCN(S(=O)(=O)CC)CC4)nc3)cc2Cl)CC1,RPBFXYCEZYKTOZ-UHFFFAOYSA-N
-rxn:4:214716:223687,CCN1CCN(c2cc(-c3cnc(N4CCN(C(=O)OC(C)(C)C)CC4)nc3)c(F)cc2[N+](=O)[O-])CC1,TWVDCHYUMJRTPH-UHFFFAOYSA-N
-rxn:4:214722:223481,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3cccc(C(=O)N4CCN(c5nccs5)CC4)c3)c(F)c2)CC1,YSOJQTNCUHLSRN-UHFFFAOYSA-N
-rxn:4:214737:223894,CN1CCN(CCCOc2cccc(-c3cnn(-c4ccc(S(=O)(=O)N5CCOCC5)cc4)c3)c2)CC1,NTZTVNUJCBNCBP-UHFFFAOYSA-N
-rxn:4:214835:225260,CCN(CC)S(=O)(=O)c1ccc(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCOCC3)C2)cc1,HKQVQQVOZQYIHJ-UHFFFAOYSA-N
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-rxn:4:214867:224303,Cc1cc(-c2ccc(O[Si](C)(C)C(C)(C)C)c(F)c2F)cnc1N1CCOC(C(=O)N2CCCC2)C1,PRIHIOHBYADVCF-UHFFFAOYSA-N
-rxn:4:214872:223589,Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1cc(Cl)cnc1N1CCOC(C(=O)N2CCCCC2)C1,INKYJYZPCYKINX-UHFFFAOYSA-N
-rxn:4:214873:223028,CCCNC(=O)c1ccc(F)c(-c2cnc(N3CCCC(C(=O)N4CCOCC4)C3)c(F)c2)c1,DNSSMZBOWSZDKH-UHFFFAOYSA-N
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-rxn:4:215098:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3nn(C)c4c3CN(C(=O)OC(C)(C)C)CC4)cc2)CC1,NNGBNWNZMKSQFM-HZCBDIJESA-N
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-rxn:4:215953:223785,CCN1CCN(CCOc2ccc(-c3ccc(N4CCC(N(C)C)CC4)nc3)cc2Cl)CC1,KVQRXPRZEDHNDI-UHFFFAOYSA-N
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-rxn:4:217829:223500,CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(-c3cnc4c(C5CCOCC5)cnn4c3)ccc2F)CC1,KFFCMYRNHPSJSO-UHFFFAOYSA-N
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-rxn:4:218587:224953,N#Cc1ccc(S(=O)(=O)N2CCC(COc3ncc(-c4ccc(OCC5CCCCC5)nc4)cn3)CC2)cc1,MVULWXWNJCWMGY-UHFFFAOYSA-N
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-rxn:4:218590:223084,N#Cc1ccccc1S(=O)(=O)N1CCCC(COc2ncc(-c3cnc(N4CCC(O)CC4)nc3)cn2)C1,KAHOCGBUVPLCOZ-UHFFFAOYSA-N
-rxn:4:218603:224335,O=C(CN1C(=O)CCC1=O)N1CCCC(COc2ncc(-c3ccnc(-c4ccc(C(F)(F)F)cc4)c3)cn2)C1,RTMVEKSZFCXPCF-UHFFFAOYSA-N
-rxn:4:218607:223898,COc1ccc(C(=O)N2CCCC(COc3ncc(-c4ccc(N(C(=O)OC(C)(C)C)C(C)C)cc4)cn3)C2)cn1,LSUYRLIJKFGQHE-UHFFFAOYSA-N
-rxn:4:218620:222807,O=C(NC1CC1)c1cc(-c2cnc(OCC3CCCN(Cc4csc(C5CC5)n4)C3)nc2)cc([N+](=O)[O-])c1,WLUPWUMIAKTVFK-UHFFFAOYSA-N
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-rxn:4:218699:226794,CC(C)(C)OC(=O)N1CCCN(c2nc(-c3cccc(-c4cnc(N5CCSCC5)nc4)c3)ccc2C#N)CC1,SUDXWHYPEFHZEJ-UHFFFAOYSA-N
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-rxn:4:218713:226102,Cc1ccc(S(=O)(=O)N2CCN(C(=O)CC(C)n3nc(C)c(-c4ccccc4CN(C)C4CC4)c3C)CC2)cc1C,WAFURTPRNRNFDT-UHFFFAOYSA-N
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-rxn:4:218867:224867,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3ccc(OCC4CCCCC4)cc3)c2)no1,ZQLXIXXKVGEFLA-UHFFFAOYSA-N
-rxn:4:218867:225394,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3cc(C4CCC4)cc(C4CC4)c3)c2)no1,YITGHINDHCPHDJ-UHFFFAOYSA-N
-rxn:4:218867:225833,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3ccnc(N4CCCCC4)c3F)c2)no1,WPUBPPVZUPQCMV-UHFFFAOYSA-N
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-rxn:4:218875:222651,CN1CCN(c2oc(COc3ccc(-c4cc(C(=O)NC5CCCCC5)ccc4F)cc3)nc2C#N)CC1,WSTXYRWTMCSVLA-UHFFFAOYSA-N
-rxn:4:218895:224596,CCc1ncnc(OC2CCN(C(=O)c3cncc(-c4ccc(N5CCCCC5C)cc4OC)c3)C2)c1F,SZAFVUKBRWIRNV-UHFFFAOYSA-N
-rxn:4:218895:224598,CCc1ncnc(OC2CCN(C(=O)c3cncc(-c4ccc(N5CCC(C)CC5)cc4OC)c3)C2)c1F,BNBPILSTPVYZSM-UHFFFAOYSA-N
-rxn:4:218903:223166,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3ccc(N4CCNCC4)nc3)cc2C#N)CC1,RKXKXSOXGYGDDQ-UHFFFAOYSA-N
-rxn:4:218903:223167,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3ccnc(N4CCNCC4)c3)cc2C#N)CC1,HMITYIZETHGCMZ-UHFFFAOYSA-N
-rxn:4:219048:224821,O=S(=O)(c1ccc(-c2ccc(F)c(S(=O)(=O)N3CCCC3)c2)cc1)N1CCC(N(c2ccncn2)C2CC2)CC1,WZUHOQOHCJEGGN-UHFFFAOYSA-N
-rxn:4:219061:225076,COC(=O)c1ccc(-c2cnc(OC3CCCN(C(=O)C4CCN(S(C)(=O)=O)CC4)C3)nc2)c2cccnc12,NFFWFFFPVRHLSD-UHFFFAOYSA-N
-rxn:4:219072:224934,O=C(Cc1nnc(-c2cccc(-c3cccc(OCCN4CCCC4)c3)c2)o1)N1CCN(C2CCCCC2)CC1,WQVQVHCMZCYCAP-UHFFFAOYSA-N
-rxn:4:219130:224198,CCN1CCN(Cc2ccc(-c3ccc(C(=O)N4CCN(Cc5nc6cc(OC)ccc6[nH]5)CC4)o3)c(F)c2)CC1,GZCIXZFGLXDINU-UHFFFAOYSA-N
-rxn:4:219135:224013,COc1ccc(N2C(=O)C3N=NN(Cc4ccc(OC)c(-c5cnc(-c6ccc(C(F)(F)F)cc6)nc5Cl)c4)C3C2=O)cc1,IOBXPLAREVUEKT-UHFFFAOYSA-N
-rxn:4:219142:225328,CCCSc1ncc(C(F)(F)F)cc1-c1cc(C#N)c2[nH]nc(C3CCN(C(=O)OC(C)(C)C)CC3)c2c1,ZEBOCZJQQOJKEP-UHFFFAOYSA-N
-rxn:4:219155:224715,CCCCOc1cc(C(F)(F)F)ccc1-c1cncc(C(=O)N2CC3CCCC3(COc3ncc(C)cn3)C2)c1,FYMWGRVBZLTKRE-UHFFFAOYSA-N
-rxn:4:219207:224123,COc1cc(OCc2ccccc2)cc(-c2ccc(-c3csc(N4CCN(CCN5C(=O)C6C7C=CC(C7)C6C5=O)CC4)n3)cc2)c1,VRBVGVYBZVASTG-UHFFFAOYSA-N
-rxn:4:219334:222912,CC(C)CNS(=O)(=O)c1ccc(-c2nnc(N3CCN(C(=O)OC(C)(C)C)CC3)s2)cc1,STYLAYVGCCPUDP-UHFFFAOYSA-N
-rxn:4:219345:223577,Cc1ccc(N2CC(N(C)C(=O)c3ccc(-c4ccc(OC5CCN(C(=O)OC(C)(C)C)CC5)cc4)o3)C2)nn1,UVFZIYRCFMMXSI-UHFFFAOYSA-N
-rxn:4:219363:222604,COc1ccc(-c2cnccc2OC2CCN(S(=O)(=O)c3cnn(C)c3)C2)cc1S(=O)(=O)NC1CCCC1,WKQKLWIODWXVEX-UHFFFAOYSA-N
-rxn:4:219389:223570,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3cnc(OC4CCCN(S(=O)(=O)c5cccnc5)C4)nc3)c(F)ncc21,CHLZXDKXKLPANA-UHFFFAOYSA-N
-rxn:4:219400:223919,CN(C(=O)c1ccc(-c2cncc(C(=O)N3CCN(c4ccnc(C(F)(F)F)c4)C(=O)C3)c2)cc1Cl)C1CCCCC1,IYSLGFACSQJKEB-UHFFFAOYSA-N
-rxn:4:219406:222916,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cccc(C(=O)NC4=NCCS4)c3)n2)CC1,RRDZHXMSUGMIFT-UHFFFAOYSA-N
-rxn:4:219413:223481,CSc1nc(C)cc(N2CCC(Oc3ccncc3-c3ccc(S(=O)(=O)N4CCC(O[Si](C)(C)C(C)(C)C)CC4)cc3F)C2)n1,JFAYIEDCMIFTAF-UHFFFAOYSA-N
-rxn:4:219414:222634,N#Cc1cc(-c2ccc(OCCNC3CCCC3)c(F)c2)cnc1N1CCOC(C(=O)N2CCCC2)C1,MBZFOAATVZFFKU-UHFFFAOYSA-N
-rxn:4:219439:224323,Cc1cc(-c2cccc(CN3CCN(c4nccc(C(F)(F)F)n4)CC3)c2)cc(C)c1S(=O)(=O)N1CCCC1,XXHMKIPFXFFRLZ-UHFFFAOYSA-N
-rxn:4:219492:223523,CCN1CCN(S(=O)(=O)c2ccc(-c3cncc(C(=O)N4CCC(c5nnc(C(C)C)o5)CC4)c3)c3ccccc23)CC1,DWNHPGPMXHXLJU-UHFFFAOYSA-N
-rxn:4:219497:227500,CCN(C)c1ncc(-c2cnc(N3CCOC(C(=O)N4CCCCC4)C3)c(C#N)c2)cc1Cl,AEHZINDBDIDOTF-UHFFFAOYSA-N
-rxn:4:219506:225212,CN1CCN(c2cc(F)cc(-c3ccc(S(=O)(=O)N4CCCN(S(=O)(=O)c5c[nH]cn5)CC4)cc3)c2)CC1,GYJLTPUMWGPDTB-UHFFFAOYSA-N
-rxn:4:219516:227085,CN1CC(CN2CCC(Oc3ncc(-c4ccc(C5CCCC5)nc4)cn3)CC2)CC1=O,MKCFWHLSDLLDST-UHFFFAOYSA-N
-rxn:4:219534:224563,Cc1ccc(-c2cncc(C(=O)N3CCC(n4nc(C5CC5)ccc4=O)CC3)c2)c(O[Si](C)(C)C(C)(C)C)c1,VXMVLUNAGXJXDW-UHFFFAOYSA-N
-rxn:4:219565:222701,Cc1cc(C)c(C#N)c(N2CCCN(S(=O)(=O)c3ccc(-c4cc(C5CCCNC5)cc(C(F)(F)F)c4)cc3)CC2)n1,RWGVZFXPQLQOAG-UHFFFAOYSA-N
-rxn:4:219687:223638,CC(C)(C)OC(=O)N1CCC(n2nnc3ccc(-c4cccc(C5CCCN(C(=O)OC(C)(C)C)C5)c4)cc32)CC1,ZEYFSJFTHJYTTI-UHFFFAOYSA-N
-rxn:4:219691:226414,CC(C)(C)OC(=O)N1CCCC(c2cc(Cl)n3ncc(-c4ccc(C5=NCCCO5)cc4)c3n2)C1,BGMXJGILDDRKIH-UHFFFAOYSA-N
-rxn:4:219706:226663,CC(C)(C)OC(=O)N1CCN(c2ncnc3cc(-c4ccc(N5CCSCC5)nc4)c(Cl)cc23)CC1,HLIBNUJOYJQULJ-UHFFFAOYSA-N
-rxn:4:219719:224666,CN1CCN(Cc2cc(-c3cccc(Cn4nc5c(S(=O)(=O)N6CCCCC6)cccn5c4=O)c3)ccc2F)CC1,RIMINWMFYORRCK-UHFFFAOYSA-N
-rxn:4:219743:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1nc(C(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)c(C(C)C)s1,XXJSALDBILKLOM-UHFFFAOYSA-N
-rxn:4:219856:223594,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)cc(-c3ccc(C(=O)N4CCC(n5ccnn5)CC4)o3)c2)CC1,UKQAQPMNWUMSPO-UHFFFAOYSA-N
-rxn:4:219931:224819,O=S(=O)(c1ccc(-c2cnc(N3CCCN(S(=O)(=O)C4CC4)CC3)nc2)cc1)N1CCOCC1,LMVPDCYHPGTJIN-UHFFFAOYSA-N
-rxn:4:219975:222835,CC(C)CC(=O)NCc1ccc(-c2cnc(N3CCOC(C(=O)N4CCCCC4)C3)nc2)cc1,ZOKWQFLHICLAPY-UHFFFAOYSA-N
-rxn:4:219997:223596,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)ccc2-c2ccc(N3CCN(c4nccn(C5CC5)c4=O)CC3)cc2)CC1,BRKZSNKCMQDZTP-UHFFFAOYSA-N
-rxn:4:220021:223831,CCCC(=O)N1CCn2nc(-c3ccc(OC)c(S(=O)(=O)N4CCC(C)CC4)c3)nc2C1,RRSJHXKXRWZALP-UHFFFAOYSA-N
-rxn:4:220041:222821,CC(C)(C)NS(=O)(=O)c1cc(-c2nnn3c2CN(C(=O)OC(C)(C)C)CC3)ccc1F,TUISYWRQMINJMP-UHFFFAOYSA-N
-rxn:4:220118:223636,CC(C)(C)OC(=O)N1CCCC(c2ccc(-c3ccc4nc(OC5CCN(c6ncc(F)cn6)CC5)sc4c3)cc2)C1,FYUKBUGUXNLULG-UHFFFAOYSA-N
-rxn:4:220118:223638,CC(C)(C)OC(=O)N1CCCC(c2cccc(-c3ccc4nc(OC5CCN(c6ncc(F)cn6)CC5)sc4c3)c2)C1,SVSMZHJDUXWRFB-UHFFFAOYSA-N
-rxn:4:220141:222573,Cn1nc2cc(-c3cc(F)cc(C(=O)NCC4CCCCC4)c3)ccc2c1C(=O)N1CCC(N2C(=O)CSC2=O)C1,LYSCZUNDQWLHOP-UHFFFAOYSA-N
-rxn:4:220165:223894,CN1CCN(CCCOc2cccc(-c3ccc(S(=O)(=O)N4CCCC(c5nnc6ccccn56)C4)cc3)c2)CC1,ICDXAIOHSNOKHG-UHFFFAOYSA-N
-rxn:4:220205:226231,CCCCOc1ncc(-c2ccc3nc(N4CCOC(C(=O)N5CCOCC5)C4)ncc3c2)cc1C,GRHINEPRJDAVJQ-UHFFFAOYSA-N
-rxn:4:220298:223593,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(N4CC(C#N)C4)nc3)cc2Cl)CC1,VAMJDTDVEPMEEK-UHFFFAOYSA-N
-rxn:4:220298:223595,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(N4CC(C#N)C4)nc3)cc2F)CC1,CDCDYPUFFXEBPH-UHFFFAOYSA-N
-rxn:4:220414:224768,Cc1c(-c2cc(F)c(C(=O)N3CCCC3)c(F)c2)cnc(N2CCN(C)CC2)c1[N+](=O)[O-],DIKQUUXBDVGYGV-UHFFFAOYSA-N
-rxn:4:220467:223606,CCc1nnc2n1N=C(c1ccc(-c3ccc(S(=O)(=O)N4CCC5(CC4)OCCO5)c(F)c3)cc1)CS2,WXTXYJODOVUUAJ-UHFFFAOYSA-N
-rxn:4:220545:222709,CC(C)(C)NC(=O)c1cc(-c2cnc(N3CCC(N4CCc5sccc5C4)CC3)nc2)cc([N+](=O)[O-])c1,CRARDHUKWLNFJU-UHFFFAOYSA-N
-rxn:4:221111:224738,O=C(C1CC(=O)N(c2cccc(-c3cc(OCC4CC4)cc(C(F)(F)F)c3)c2)C1)N1CCN(CCn2ccnc2)CC1,YXPXWKXAMUCJTC-UHFFFAOYSA-N
-rxn:4:221114:226307,CCOc1ccc(-c2cc(C)cc(COC)c2OC)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N3CCCC3)n2)CC1,MJLOUXWWMFDOTM-UHFFFAOYSA-N
-rxn:4:221121:223255,CONC(=O)c1cccc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)c1,QJOMLFSPWVDXSU-UHFFFAOYSA-N
-rxn:4:221180:223945,Cc1cc(C(=O)N2CCC(COc3ncc(-c4ccc(OCCCN5CCOCC5)c(F)c4)cn3)CC2)nn1C,KKXAUFPVVASEKZ-UHFFFAOYSA-N
-rxn:4:221181:223945,Cc1cc(C(=O)N2CCCC(COc3ncc(-c4ccc(OCCCN5CCOCC5)c(F)c4)cn3)C2)nn1C,BCQBYJKEWHCUEH-UHFFFAOYSA-N
-rxn:4:221190:223481,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3ccc(C(=O)N4CCN(c5ccc(-c6noc(C7CC7)n6)cn5)CC4)o3)c(F)c2)CC1,OJPAFLBCBLYFBB-UHFFFAOYSA-N
-rxn:4:221229:223902,CC1CCN(CCOc2ccc(-c3cnc(OCC4CCCN(C(=O)c5cnc6ccccc6n5)C4)nc3)cc2F)CC1,JUMWATLFTYOBCJ-UHFFFAOYSA-N
-rxn:4:221230:222524,N#Cc1cc2c(nc1N1CCCC(COc3ncc(-c4cc(F)c(F)cc4S(=O)(=O)N4CCC(O)CC4)cn3)C1)CCC2,VAXGXTYLBVRSTL-UHFFFAOYSA-N
-rxn:4:221245:225177,Cc1nc2ccc(OCC3CCN(C(=O)c4cncc(-c5ccc(CN6CCSCC6)c(F)c5)c4)CC3)nn2c1C,MLUICTRRUMNTBP-UHFFFAOYSA-N
-rxn:4:221249:222888,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc4c(-c5ccc(CN6CCNCC6)c(Cl)c5)cnn4c3)cc2)CC1,WCYVCPZWOIFFJL-UHFFFAOYSA-N
-rxn:4:221249:223004,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc4c(-c5ccc(C6CCNCC6)c(F)c5)cnn4c3)cc2)CC1,RJSRHFGXVIFFBO-UHFFFAOYSA-N
-rxn:4:221249:223005,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc4c(-c5ccc(C6CCNCC6)c(Cl)c5)cnn4c3)cc2)CC1,XRRVMXPPLIIQGW-UHFFFAOYSA-N
-rxn:4:221249:225808,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc4c(-c5cc(OC6CCCC6)ncc5F)cnn4c3)cc2)CC1,RKCYFIGCZYLZNX-UHFFFAOYSA-N
-rxn:4:221249:225809,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc4c(-c5cc(F)ccc5OC5CCOC5)cnn4c3)cc2)CC1,PFRNNAICFNINOE-UHFFFAOYSA-N
-rxn:4:221249:225834,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc4c(-c5cc(N6CCCCC6)ncc5F)cnn4c3)cc2)CC1,ANRAFJISQGZIAH-UHFFFAOYSA-N
-rxn:4:221249:225859,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc4c(-c5cnc(N6CCCCC6)c(Cl)c5)cnn4c3)cc2)CC1,IBNRNGKUXUCBGM-UHFFFAOYSA-N
-rxn:4:221249:225867,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc4c(-c5cnc(Cl)c(N6CCCCC6)c5)cnn4c3)cc2)CC1,IMONDXAAOPLULM-UHFFFAOYSA-N
-rxn:4:221249:225872,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc4c(-c5cc(F)c(F)c(N6CCCC6)c5)cnn4c3)cc2)CC1,VSOSWPMUIFHVRL-UHFFFAOYSA-N
-rxn:4:221249:225874,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc4c(-c5ccc(F)c(N6CCOCC6)c5)cnn4c3)cc2)CC1,IDCQKSXTKZTQSN-UHFFFAOYSA-N
-rxn:4:221249:225877,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc4c(-c5ccc(Cl)cc5N5CCOCC5)cnn4c3)cc2)CC1,RHGMGBPCNDXXMY-UHFFFAOYSA-N
-rxn:4:221249:225879,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc4c(-c5ccc(N6CCOCC6)cc5F)cnn4c3)cc2)CC1,WZDGBNHMIYFZSD-UHFFFAOYSA-N
-rxn:4:221249:225880,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc4c(-c5cc(C6CCOCC6)ncc5F)cnn4c3)cc2)CC1,RDXWLYCKIHHZKL-UHFFFAOYSA-N
-rxn:4:221249:225881,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc4c(-c5ccc(C6CCOCC6)nc5F)cnn4c3)cc2)CC1,HYNIZUVCTHYYLM-UHFFFAOYSA-N
-rxn:4:221263:225827,CCOC(=O)Cn1c(=O)c2c(nc3n2CCCN3c2ccc(-c3ccnc(N4CCN(C)CC4)c3)cc2)n(C)c1=O,SFWLZBGJOIRLHY-UHFFFAOYSA-N
-rxn:4:221369:222546,Cn1nc(C(=O)N2CCCC(Oc3ncc(-c4ccc(OCCNC5CCCCC5)c(F)c4)cn3)C2)ccc1=O,GQBZPCSZKOTBDN-UHFFFAOYSA-N
-rxn:4:221407:223911,CCOC(=O)C1(c2ccc(-c3ccc(CN4CCN(c5ccc(N(C)C)nn5)CC4)cc3)cc2)CCOCC1,AOSNVVXNJXEGSC-UHFFFAOYSA-N
-rxn:4:221426:222833,CC(C)CCC(=O)Nc1cccc(-c2ccccc2CN2CCN(c3nccc(N4CCOCC4)n3)CC2)c1,BWSALSMKUPQLSP-UHFFFAOYSA-N
-rxn:4:221451:227743,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccccc3-c3cc(C(F)(F)F)ccc3Cl)CC2)n1,GFZIAVWJLFKNLS-UHFFFAOYSA-N
-rxn:4:221456:227981,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C5CC5)cc4Cl)cc3)CC2)n1,PDUBHBNVYZRWEL-UHFFFAOYSA-N
-rxn:4:221456:228008,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(Cl)cc(C5CC5)c4)cc3)CC2)n1,NBOJIAWHEAUGDH-UHFFFAOYSA-N
-rxn:4:221456:228011,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4c(Cl)cccc4C4CC4)cc3)CC2)n1,XHHVBMNQKUZOHV-UHFFFAOYSA-N
-rxn:4:221456:228017,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(C5CC5)ccc4Cl)cc3)CC2)n1,ZILCJNFNJWNZNO-UHFFFAOYSA-N
-rxn:4:221491:222813,CC(C)(C)OC(=O)Nc1ncc(-c2cnc(N3CC4CCCC4(COc4ncc(F)cn4)C3)nc2)cc1Cl,PTAJKMBGHKRQHM-UHFFFAOYSA-N
-rxn:4:221498:224667,CN1CCN(Cc2cc(-c3c[nH]c4ncnc(N5CCN(C(=O)OC(C)(C)C)CC5)c34)ccc2Cl)CC1,YRXKRXIAUOTZLV-UHFFFAOYSA-N
-rxn:4:221634:224321,Cc1ccnc(N2CCN(c3ncc(-c4cccc(S(=O)(=O)N5CCC(C)CC5)c4)cc3C(F)(F)F)CC2)n1,VTOQAJHOQCJBJX-UHFFFAOYSA-N
-rxn:4:221642:226686,Cc1cnn(C2CCCCO2)c1-c1cnc(N2CCC(N3CC(=O)N(C4CC4)C3=O)CC2)nc1,PBWQENCQTXBRMZ-UHFFFAOYSA-N
-rxn:4:221723:222828,O=c1cc2c(nn1CC1CCN(c3ncc(-c4cc(F)c(F)cc4S(=O)(=O)NC4CC4)cn3)CC1)CCC2,QCLHBASBYJKWRL-UHFFFAOYSA-N
-rxn:4:221745:222707,CC(C)(C)OC(=O)NCc1nccc(-c2ccc(S(=O)(=O)c3nnn4c3nc(N3CCCCCC3)c3sccc34)cc2)c1F,XTNBSGUXXHLBGY-UHFFFAOYSA-N
-rxn:4:221836:225227,CC1CCN(c2ncc(-c3cnc(N4CCCN(C5=NS(=O)(=O)c6ccccc65)CC4)nc3)cc2Cl)CC1,PMKXIOWNFQUYPW-UHFFFAOYSA-N
-rxn:4:221914:222951,CCOC(=O)N1CCN(C(=O)c2nnn(-c3ccc(-c4cnc(NC(C)=O)cc4C(F)(F)F)cc3)n2)CC1,BWUIXOMEJVOYFI-UHFFFAOYSA-N
-rxn:4:221965:228243,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cccc(C(C)=O)c5F)cc4)CC3)nn2)CC1,KTVHCDBLOOSHRJ-UHFFFAOYSA-N
-rxn:4:221982:225266,CCCOc1ccc(C(F)(F)F)cc1-c1ccc(-c2noc(CN3N=NC4C(=O)N(c5ccc(C(C)C)cc5)C(=O)C43)n2)cc1,LECFBTLGZBNMCJ-UHFFFAOYSA-N
-rxn:4:221986:223180,CCN1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(-c3ccc(C(=O)NOC)c(F)c3)cc2)CC1,JQNOMTLXXXQZCC-UHFFFAOYSA-N
-rxn:4:222008:223602,Cc1nnc(CN2CCC(Oc3ncc(-c4ccnc(N5CCN(C(=O)OC(C)(C)C)CC5)c4Cl)cn3)CC2)n1C,RESSSXZHIRDIGS-UHFFFAOYSA-N
-rxn:4:222054:227537,COC(=O)c1cc(Cl)cc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCN(C)CC5)nn4)CC3)o2)c1,KRNNKPPJNMFQJO-UHFFFAOYSA-N
-rxn:4:222060:224868,Cc1nn(-c2ccc(N3CCN(S(=O)(=O)c4ccc(-c5cccc(OCC6CCCCC6)c5)cc4)CC3)nn2)c(C)c1C,ARQBOPYBMDUMKX-UHFFFAOYSA-N
-rxn:4:222061:224868,Cc1nn(-c2ccc(N3CCN(S(=O)(=O)c4cccc(-c5cccc(OCC6CCCCC6)c5)c4)CC3)nn2)c(C)c1C,RCENIOOAEHPTFK-UHFFFAOYSA-N
-rxn:4:222062:223170,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cnc(C5CCCNC5)nc4)cc3)CC2)n1,WISZFQPAJSPDAC-UHFFFAOYSA-N
-rxn:4:222062:228593,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccncc4C4CC4)cc3)CC2)n1,FZEBGLYZDHCYTB-UHFFFAOYSA-N
-rxn:4:222156:223776,CC(C)(C)OC(=O)N1CCOc2ccc(-c3cnc(N4CCN(c5ncnc(C6CC6)c5F)CC4)nc3)cc2C1,QLVVYCGVLQPDKA-UHFFFAOYSA-N
-rxn:4:222156:223884,CC(C)(C)OC(=O)N1CCc2cc(-c3cnc(N4CCN(c5ncnc(C6CC6)c5F)CC4)nc3)ccc2C1,HGFIQXOQXGRQOA-UHFFFAOYSA-N
-rxn:4:222156:223885,CC(C)(C)OC(=O)N1CCc2ccc(-c3cnc(N4CCN(c5ncnc(C6CC6)c5F)CC4)nc3)cc2C1,ISQRHVCMIRSQNN-UHFFFAOYSA-N
-rxn:4:222156:223886,CC(C)(C)OC(=O)N1CCc2c(cccc2-c2cnc(N3CCN(c4ncnc(C5CC5)c4F)CC3)nc2)C1,XHTRUGQTSOICSD-UHFFFAOYSA-N
-rxn:4:222156:223889,CC(C)(C)OC(=O)N1CCc2cccc(-c3cnc(N4CCN(c5ncnc(C6CC6)c5F)CC4)nc3)c2C1,PPFPVHGYTKDGDA-UHFFFAOYSA-N
-rxn:4:222156:224161,CC(C)(C)OC(=O)N1Cc2ccc(-c3cnc(N4CCN(c5ncnc(C6CC6)c5F)CC4)nc3)cc2C1,VPTJZBAJBHLJPP-UHFFFAOYSA-N
-rxn:4:222203:224198,CCN1CCN(Cc2ccc(-c3cncc(C(=O)N4CCN(c5nccn6nc7c(c56)CCCC7)CC4)c3)c(F)c2)CC1,FMCQDXKBJOIWHJ-UHFFFAOYSA-N
-rxn:4:222228:223594,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)cc(-c3ccc4nc(N5CCN(c6ccc7nccn7n6)CC5)sc4c3)c2)CC1,QFBVYLNDCKJEGP-UHFFFAOYSA-N
-rxn:4:222334:224849,Cc1cc(N2CCCC2)nc(N2CCN(c3ncc(-c4cc(C5CCCC5)cc(C5CC5)c4)cn3)CC2)n1,IDXJVJZHUOPECQ-UHFFFAOYSA-N
-rxn:4:222337:224796,Cc1cc(N2CCOCC2)nc(N2CCN(c3ncc(-c4cncc(S(=O)(=O)OCC(C)(C)C)c4)cn3)CC2)n1,VXVAMCVMIOAIHM-UHFFFAOYSA-N
-rxn:4:222347:224377,Cc1nnc2ccc(N3CCCN(C(=O)c4cncc(-c5ccc(S(=O)(=O)N6CCN(C)CC6)cc5)c4)CC3)nn12,IJNSZUJTURJFSF-UHFFFAOYSA-N
-rxn:4:222362:223979,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6cc(C(=O)N7CCCCC7)cc([N+](=O)[O-])c6)cc6[nH]ncc56)nn4)cn3c2)CC1,VXINPISFNGNMMR-UHFFFAOYSA-N
-rxn:4:222378:223712,CCn1cnc2c(N3CCN(c4ncc(-c5ccc(OC)c(C67CC8CC(CC(C8)C6)C7)c5)cn4)CC3)ncnc21,IDULIEWNMGHMNR-UHFFFAOYSA-N
-rxn:4:222432:187353,CC(C)[Si](c1nc(-c2ccc(S(=O)(=O)NC3CCCCC3)c3ccccc23)co1)(C(C)C)C(C)C,WWMCOICWSWJARA-UHFFFAOYSA-N
-rxn:4:222513:194615,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1ccc(S(=O)(=O)N=C2C=CC(=O)c3ccccc32)cc1,PIKWKUNFTGDEIT-UHFFFAOYSA-N
-rxn:4:222613:204019,CCCNS(=O)(=O)c1ccc(-c2ccccc2CN2CCN(S(C)(=O)=O)C(C)C2)c(C(F)(F)F)c1,KZXJTKOMHIXYIE-UHFFFAOYSA-N
-rxn:4:222680:187968,COc1c(NC(=O)OC(C)(C)C)cccc1-c1ccc2c(ccn2[Si](C(C)C)(C(C)C)C(C)C)c1,MHRQEGJAROMJGD-UHFFFAOYSA-N
-rxn:4:222802:174518,Cc1ccc(-c2cc(O[Si](C(C)C)(C(C)C)C(C)C)ccc2F)c(S(=O)(=O)NC(C)(C)C)c1,RXOFLJWMQOFWCE-UHFFFAOYSA-N
-rxn:4:222820:183818,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccccc2CN(C(=O)OC(C)(C)C)C2CC2)cc1F,YGHSNWRLICUIBB-UHFFFAOYSA-N
-rxn:4:222820:215065,CC(C)(C)NS(=O)(=O)c1ccc(-c2cc3n(n2)CCN(C(=O)OC(C)(C)C)C3)cc1F,YBKPTOGNQSMNHF-UHFFFAOYSA-N
-rxn:4:222882:199500,COC(=O)C(C(=O)OC(C)(C)C)c1ncc(-c2cc(F)ccc2C(=O)NC(C)(C)C)cn1,ISBAPPGDMVKHNE-UHFFFAOYSA-N
-rxn:4:222902:199591,COC(=O)CNC(=O)c1cccc(-c2ccc(CN(C(=O)OC(C)(C)C)C(C)C)nc2)c1,UMPDOYDCRUJOKD-UHFFFAOYSA-N
-rxn:4:222940:187847,CC(C)(C)NS(=O)(=O)c1cncc(-c2cc3c(cc2C(F)F)N(C(=O)OC(C)(C)C)CC3)c1,MJBRPPMBHBMYAU-UHFFFAOYSA-N
-rxn:4:222950:215989,CONS(=O)(=O)c1cc(-c2ccc(N3CCC(N4CCN(C)CC4)CC3)cc2)ccc1OC,ZNMHFSOBVKMFBL-UHFFFAOYSA-N
-rxn:4:222960:204073,CC(=O)N1CCN(S(=O)(=O)c2cc(-c3cc(C)cc(C4CCNCC4)c3)c(C)cc2C)CC1,YLBMIALWXDXDFA-UHFFFAOYSA-N
-rxn:4:223102:183958,CC(C)(C)NS(=O)(=O)c1sccc1-c1ccc(OCC2CCN(C(=O)OC(C)(C)C)C2)cc1,MLZDBDZYEGQWHX-UHFFFAOYSA-N
-rxn:4:223102:185026,CC(C)(C)NS(=O)(=O)c1sccc1-c1ccc(SC2CN(C(=O)OC(C)(C)C)C2)cc1,DCVRKCHKAKBKHL-UHFFFAOYSA-N
-rxn:4:223102:185352,CC(C)(C)NS(=O)(=O)c1sccc1-c1ccc(C(=O)C2CCN(C(=O)OC(C)(C)C)CC2)cc1,MJSOGOYFIPGXNZ-UHFFFAOYSA-N
-rxn:4:223531:209239,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cncc(C4=NCCC4)c3)cc2Cl)CC1,UKWGHWSGUXLCNK-UHFFFAOYSA-N
-rxn:4:223570:187909,CC(C)N(C(=O)c1ccc2cc(-c3c(F)ncc4c3ccn4[Si](C(C)C)(C(C)C)C(C)C)ccc2c1)C(C)C,KEJXTUDKDSBXBE-UHFFFAOYSA-N
-rxn:4:223570:204697,COC(=O)C1=C(C)N=C2SC(C)C(=O)N2C1c1ccc(-c2c(F)ncc3c2ccn3[Si](C(C)C)(C(C)C)C(C)C)cc1,OLASMTKJCRESAV-UHFFFAOYSA-N
-rxn:5:177184:225639:225849,CCOC(=O)c1c(-c2cnc(N3CCCCC3)cc2F)ccc(C)c1-c1cccnc1N1CCC(C)CC1,LZYBZOJULUFUSN-UHFFFAOYSA-N
-rxn:5:177184:225655:223064,CCOC(=O)c1c(-c2ccc(C3CCNCC3)nc2F)ccc(C)c1-c1cncc(N2CCC(C)CC2)c1,MEFFCWGSJHKLGU-UHFFFAOYSA-N
-rxn:5:177184:225656:223064,CCOC(=O)c1c(-c2ccc(C3CCNCC3)nc2F)ccc(C)c1-c1cncc(N2CCCCC2C)c1,ZGYBHKWKEJMLLB-UHFFFAOYSA-N
-rxn:5:177185:222996:226662,CC(C)OC(=O)c1cc(-c2ccc(F)cc2C2CCCNC2)ccc1-c1ccc(N2CCN(C)CC2)s1,NOQMENUHPRFBCP-UHFFFAOYSA-N
-rxn:5:177185:223056:223062,CC(C)OC(=O)c1cc(-c2ccc(N3CCC(O)CC3)nc2)ccc1-c1cnc(C2CCNCC2)cc1F,FBZPZGIKXFTBBV-UHFFFAOYSA-N
-rxn:5:177185:223061:225598,CC(C)OC(=O)c1cc(-c2cc(C3CCNCC3)ncc2F)ccc1-c1cccc(CN2CCSCC2)c1,PGDAXVGUQQZORJ-UHFFFAOYSA-N
-rxn:5:177185:223062:225637,CC(C)OC(=O)c1cc(-c2cnc(C3CCNCC3)cc2F)ccc1-c1ccccc1N1CCN(C)CC1,TUSJLRWBTLDZBP-UHFFFAOYSA-N
-rxn:5:177185:225980:222980,CC(C)OC(=O)c1cc(-c2cc(N3CCOCC3)ncc2F)ccc1-c1ccc(CN2CCNCC2)cc1,LPPIALNDNXPHNI-UHFFFAOYSA-N
-rxn:5:177186:223054:223140,CCOC(=O)c1cc(-c2ccnc(C3CCCNC3)c2)c(-c2ccc(C(C)N3CCC(O)C3)s2)cc1C,UFVPRKJLKLVRHV-UHFFFAOYSA-N
-rxn:5:177189:223056:223062,CCOC(=O)c1c(-c2ccc(N3CCC(O)CC3)nc2)ccc(C)c1-c1cnc(C2CCNCC2)cc1F,OWWYUBBUPNTEHU-UHFFFAOYSA-N
-rxn:5:177189:226425:225833,CCOC(=O)c1c(-c2ccc(N3CCCCC3C)s2)ccc(C)c1-c1ccnc(N2CCCCC2)c1F,IPGZBALIUHQQAP-UHFFFAOYSA-N
-rxn:5:177190:225805:223144,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCC(O)C3)cc2)c(-c2ccc(C(C)N3CCOCC3)s2)c1,VPSGCNDVVQSPFQ-UHFFFAOYSA-N
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-rxn:5:177191:225603:223065,N#CC1(c2cccc(-c3cc(-c4ccc(N5CCNCC5)cc4F)ccc3CC(=O)C3CC3)c2F)CCC1,NWMDRNCDHFNXFD-UHFFFAOYSA-N
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-rxn:5:181908:222959:225472,Cc1cc(-c2cc(C)c(C3OCCO3)cc2-c2cccc(N3CCCCC3C)c2)ccc1C1CCNCC1,KEXDQGXHZOCYJT-UHFFFAOYSA-N
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-rxn:5:181908:226457:225832,Cc1cc(-c2ccc(C3CCOC3)c(F)c2)c(-c2c(C)nn(C3CCCCO3)c2C)cc1C1OCCO1,HCHNWYFWBYHAMC-UHFFFAOYSA-N
-rxn:5:182010:226413:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(C2CCOCC2)c(-c2cccc(N3CCOCC3)c2)c1,XCOPVGPBDFZDRM-UHFFFAOYSA-N
-rxn:5:182010:226686:225607,Cc1cnn(C2CCCCO2)c1-c1cc(-c2ccc(C(C)N3CCCCC3)s2)ccc1C1CCOCC1,WXRPIBKLWYIWEW-UHFFFAOYSA-N
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-rxn:5:188867:223002:223010,CC(C)OC(=O)c1cc(-c2ccc(C3(O)CCOCC3)cc2)ncc1-c1ccc(C2CCNCC2)cc1F,LXNABFKJCPOMMJ-UHFFFAOYSA-N
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-rxn:5:188867:223006:222994,CC(C)OC(=O)c1cc(-c2cccc(N3CCC(O)CC3)c2)ncc1-c1ccc(F)c(C2CCNCC2)c1,JALPKPQJVOQWLW-UHFFFAOYSA-N
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-rxn:5:188867:225666:222994,CC(C)OC(=O)c1cc(-c2cccc(N3CCC(O)CC3)c2)ncc1-c1cc(F)cc(N2CCCCC2)c1,ZYFFWMAXHIDWRN-UHFFFAOYSA-N
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-rxn:5:188930:227377:225674,COC(=O)c1cc(S(N)(=O)=O)c(-c2cncnc2C2CCCC2)cc1-c1cnc(C2CCCCC2)cc1F,PWXUDMZKPIECAZ-UHFFFAOYSA-N
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-rxn:5:189321:222990:226414,CC(C)(C)OC(=O)c1nc(-c2ccc(N3CCC(O)CC3)cc2)ccc1-c1ccc(C2=NCCCO2)cc1,RHLZQBDBPVCIAB-UHFFFAOYSA-N
-rxn:5:189321:225438:223143,CC(c1ccc(-c2ccc(-c3cccc(N4CCC(O)C4)c3)c(C(=O)OC(C)(C)C)n2)cc1)N1CCCC1,INOJXOYVEDJNHG-UHFFFAOYSA-N
-rxn:5:189323:225679:226794,CC(C)(C)OC(=O)c1cc(-c2cnc(N3CCSCC3)nc2)ncc1-c1ccc(N2CCCCC2)cc1F,SCUVWBVKHPFSJS-UHFFFAOYSA-N
-rxn:5:189334:222990:226414,CC(C)(C)OC(=O)c1ncc(-c2ccc(N3CCC(O)CC3)cc2)cc1-c1ccc(C2=NCCCO2)cc1,ZLXOATKMVPAANN-UHFFFAOYSA-N
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-rxn:5:189664:225453:227592,COc1cc(F)cc(-c2cc(-c3cccc(SC4CCCCC4)c3)ccc2CC(=O)N2CCCC2)c1OC,HAQRQTXLNKJIPX-UHFFFAOYSA-N
-rxn:5:189666:223285:225499,CC(C)(C)[S@@](=O)/N=C/c1ccc(-c2ccc(C3CCCCC3)cc2F)c(-c2ccccc2NS(C)(=O)=O)c1,MJADNTJMQZSIOV-NYSIWCLVSA-N
-rxn:5:189666:225407:226069,CC(C)(C)[S@@](=O)/N=C/c1ccc(-c2cccc(C3CCCCC3)c2)c(-c2ccc(C3CCCCCC3)cc2)c1,DYELOUGDKYWUOZ-SFNAPTHNSA-N
-rxn:5:189666:226059:223189,CC(C)c1ccc(-c2cc(/C=N/[S@](=O)C(C)(C)C)ccc2-c2ccc(NS(C)(=O)=O)cc2F)c(C(C)C)c1,LGEPNOLLAIMMAC-HRBZFAHXSA-N
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-rxn:5:189672:227047:225407,CC(C)(C)S(=O)/N=C/c1cccc(-c2cccc(SC3CCC3)c2)c1-c1ccc(C2CCCCCC2)cc1,HCPAFRFRHXNZPL-JWHWKPFMSA-N
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-rxn:5:190001:225450:228005,CSc1cc(C)c(-c2ccc(CC(=O)N3CCCCC3)cc2-c2ccc(C(=O)C3CCCC3)cc2)cc1C,ISHURAMEQKRGJP-UHFFFAOYSA-N
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-rxn:5:190001:227989:225638,CC#Cc1ccc(F)c(-c2cc(CC(=O)N3CCCCC3)ccc2-c2ccc(N3CCC(C)CC3)nc2)c1,CPBSVYKAEHCCCG-UHFFFAOYSA-N
-rxn:5:190097:226763:226794,COC(=O)c1c(F)cc(-c2ccc(-c3cnc(N4CCSCC4)nc3)c(CCN3CCCCC3)c2)cc1F,NTYZHEZULGLDBH-UHFFFAOYSA-N
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-rxn:5:190740:222994:225833,CCOC(=O)c1cnc2c(C)cc(-c3cccc(N4CCC(O)CC4)c3)cc2c1-c1ccnc(N2CCCCC2)c1F,WVPMUQRILVYYEL-UHFFFAOYSA-N
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-rxn:5:190740:225639:225834,CCOC(=O)c1cnc2c(C)cc(-c3cccnc3N3CCC(C)CC3)cc2c1-c1cc(N2CCCCC2)ncc1F,QIGUMKKXHHNLNG-UHFFFAOYSA-N
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-rxn:5:193866:225453:228615,CSc1ccc(C)cc1-c1cc(C2(N3CCC(=O)CC3)CC2)ccc1-c1cccc(SC2CCCCC2)c1,BIDCTCDUGCRZCH-UHFFFAOYSA-N
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-rxn:5:193932:228577:225834,CC#Cc1cncc(-c2cc(C(=O)N3CC(C)CC(C)C3)ccc2-c2cc(N3CCCCC3)ncc2F)c1,GCHZQBWAGFELGK-UHFFFAOYSA-N
-rxn:5:193932:228582:225834,CC1CC(C)CN(C(=O)c2ccc(-c3cc(N4CCCCC4)ncc3F)c(-c3cnccc3C(C)C)c2)C1,OVHCWRNLFQTYGE-UHFFFAOYSA-N
-rxn:5:193932:228586:225834,CC1CC(C)CN(C(=O)c2ccc(-c3cc(N4CCCCC4)ncc3F)c(-c3cccnc3C(C)C)c2)C1,MCYZBSRCAIANKI-UHFFFAOYSA-N
-rxn:5:193932:228588:225834,CC#Cc1cc(-c2cc(C(=O)N3CC(C)CC(C)C3)ccc2-c2cc(N3CCCCC3)ncc2F)ccn1,LUOGIPXQLPQBSF-UHFFFAOYSA-N
-rxn:5:193972:223148:228868,COC(=O)c1ccc(-c2cc(S(=O)(=O)N3CCCCCC3)c(-c3ccccc3C3CNCCO3)cc2C)s1,ITXDWCDYGVBLSS-UHFFFAOYSA-N
-rxn:5:193972:226654:229063,Cc1cc(-c2csc(N3CCC(C)CC3)n2)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccncc1C#N,JKQJAKNTKVIVNU-UHFFFAOYSA-N
-rxn:5:193972:226663:228888,Cc1cc(-c2ccc(N3CCSCC3)nc2)c(S(=O)(=O)N2CCCCCC2)cc1-c1cc(C#N)ncc1F,BUGYAAIMYBZUIU-UHFFFAOYSA-N
-rxn:5:193972:226794:228517,CC#Cc1ccccc1-c1cc(S(=O)(=O)N2CCCCCC2)c(-c2cnc(N3CCSCC3)nc2)cc1C,ODFGPPXPCYRPFX-UHFFFAOYSA-N
-rxn:5:193972:226794:228740,Cc1cc(-c2cnc(N3CCSCC3)nc2)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc(C#N)cc1F,RRTGEVHLBXOCGC-UHFFFAOYSA-N
-rxn:5:193972:226826:228808,CSc1cc(F)cc(-c2cc(S(=O)(=O)N3CCCCCC3)c(-c3cc(C)cc(C(F)(F)F)c3F)cc2C)c1,GJUZMBBYVBVREK-UHFFFAOYSA-N
-rxn:5:193972:227807:227052,Cc1cc(-c2cccc3c2CCCC3)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc(SC(C)(C)C)cc1,WTSZBUGFXCVHCG-UHFFFAOYSA-N
-rxn:5:193972:227985:227052,Cc1cc(-c2ccc(F)c(C(C)C)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc(SC(C)(C)C)cc1,YEWYQUKOLCUTDE-UHFFFAOYSA-N
-rxn:5:194575:225453:226062,CC(C)c1cc(-c2cc3c(s2)CCN(S(=O)(=O)c2ccccc2-c2cccc(SC4CCCCC4)c2)C3)cc(C(C)C)c1,WFULEJYFOBSACI-UHFFFAOYSA-N
-rxn:5:196790:225462:225456,CC1CCN(c2cccc(-c3cc(-c4ccc(C5CCN(C)CC5)cc4)ccc3N3CCOCC3=O)c2)CC1,UMPNMTOTQKUDST-UHFFFAOYSA-N
-rxn:5:196791:225805:227710,CC(c1ccc(-c2cccc(N3CCOCC3=O)c2-c2ccc(OS(C)(=O)=O)cc2)s1)N1CCOCC1,LVRPAXBZAPMOAB-UHFFFAOYSA-N
-rxn:5:196869:225661:225616,Cc1cc(N2CCOCC2)ccc1-c1ccc(N2CCOCC2)c(-c2ccccc2C(=O)N2CCCC2)c1,STYBYYAKJABSII-UHFFFAOYSA-N
-rxn:5:196873:227103:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(N2CCOCC2)ccc1-c1sccc1C1CCCCC1,FRYWNINENFVHDR-UHFFFAOYSA-N
-rxn:5:196917:226794:225804,CC1(C)COC(c2cc(-c3ccc(C(=O)N4CCC4)c(F)c3)ccc2-c2cnc(N3CCSCC3)nc2)=N1,WHXRDGVIPBFRBI-UHFFFAOYSA-N
-rxn:5:196969:225832:222996,Cc1nn(C2CCCCO2)c(C)c1-c1cnc(C2CCCCC2)cc1-c1ccc(F)cc1C1CCCNC1,JFXXZGIZFAUCBB-UHFFFAOYSA-N
-rxn:5:196969:225832:226643,Cc1nn(C2CCCCO2)c(C)c1-c1cnc(C2CCCCC2)cc1-c1ccc(N2CCOCC2)nc1,BIIVISXJOPMWBS-UHFFFAOYSA-N
-rxn:5:196971:222958:225438,Cc1ccc(-c2cc(-c3ccc(C(C)N4CCCC4)cc3)c(C3CCCCC3)cn2)cc1C1CCNCC1,GJDQZEQGUQELHN-UHFFFAOYSA-N
-rxn:5:196971:226182:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2cccnc2C2CCCCC2)ncc1C1CCCCC1,HNBXUIWDPOHXBU-UHFFFAOYSA-N
-rxn:5:197876:225407:228503,CC(C)(C)N1C(=O)c2cc(-c3ccc4c(c3)CCC4)c(-c3ccc(C4CCCCCC4)cc3)cc2S1(=O)=O,DPFCZGFGTTVGSY-UHFFFAOYSA-N
-rxn:5:197876:225407:229012,CC(C)c1ccsc1-c1cc2c(cc1-c1ccc(C3CCCCCC3)cc1)S(=O)(=O)N(C(C)(C)C)C2=O,IMUXJQFTAXGJDR-UHFFFAOYSA-N
-rxn:5:197876:225498:223353,CC(=O)Nc1cccc(-c2cc3c(cc2-c2cc(C4CCCCC4)ccc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,AJPJAVKMQVSAMF-UHFFFAOYSA-N
-rxn:5:197876:225674:227823,CC(C)(C)c1ccccc1-c1cc2c(cc1-c1cnc(C3CCCCC3)cc1F)S(=O)(=O)N(C(C)(C)C)C2=O,MKOICFDVHIEPSQ-UHFFFAOYSA-N
-rxn:5:197876:225677:228906,CC(C)(C)N1C(=O)c2cc(-c3ccnc(C(F)F)c3)c(-c3ccc(C4CCCCC4)nc3F)cc2S1(=O)=O,QPAGJHAIZUTZLY-UHFFFAOYSA-N
-rxn:5:197876:225706:226062,CC(C)c1cc(-c2cc3c(cc2-c2cc4ncn(C(C)C)c4cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc(C(C)C)c1,IVSSMIMTGJIDKS-UHFFFAOYSA-N
-rxn:5:197876:226068:226146,Cc1cc(C(C)(C)C)cc(C)c1-c1cc2c(cc1-c1ccc(SC3CCCC3)cc1)C(=O)N(C(C)(C)C)S2(=O)=O,WLIIBRCBJRCCTG-UHFFFAOYSA-N
-rxn:5:197876:227094:227066,CC(C)(C)N1C(=O)c2cc(-c3cccc(C(=O)C4CC4)c3)c(-c3cnccc3C3CCCC3)cc2S1(=O)=O,COQOXGGSKFPXFN-UHFFFAOYSA-N
-rxn:5:197876:227102:226060,CC(C)(C)c1ccc(F)c(-c2cc3c(cc2-c2cc(C4CC4)cc(C4CC4)c2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,USDPSYXSOTXWTA-UHFFFAOYSA-N
-rxn:5:197876:227413:226059,CC(C)c1ccc(-c2cc3c(cc2-c2cnc(C4CCC4)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c(C(C)C)c1,YBFLSVCGFLNWFR-UHFFFAOYSA-N
-rxn:5:197876:227415:226915,CC(C)(C)c1ccc(-c2cc3c(cc2-c2ccc(C4CCCC4)cc2)C(=O)N(C(C)(C)C)S3(=O)=O)c(F)n1,BXKQACLCBQUYCN-UHFFFAOYSA-N
-rxn:5:197876:227808:225499,CC(C)(C)N1C(=O)c2cc(-c3ccc(C4CCCCC4)cc3F)c(-c3ccc4c(c3)CCCC4)cc2S1(=O)=O,CPNWREYAKWTLDH-UHFFFAOYSA-N
-rxn:5:197876:227908:225451,CC(C)Cc1ncccc1-c1cc2c(cc1-c1ccc(SC3CCCCC3)cc1)C(=O)N(C(C)(C)C)S2(=O)=O,IHNRBZRDXAUCPX-UHFFFAOYSA-N
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-rxn:5:197876:227989:225407,CC#Cc1ccc(F)c(-c2cc3c(cc2-c2ccc(C4CCCCCC4)cc2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,HTGSLAXFVMPUQY-UHFFFAOYSA-N
-rxn:5:197876:228415:226137,CC(C)c1ncc(C2CC2)cc1-c1cc2c(cc1-c1cc(F)ccc1C(F)F)S(=O)(=O)N(C(C)(C)C)C2=O,NIHMHJVKQMCPHZ-UHFFFAOYSA-N
-rxn:5:227939:178295:227088,COC(=O)C1(c2cc(-c3cc(C)nc(C(C)(C)C)c3)ccc2-c2ccccc2C(C)OC)CCC(=O)CC1,PAARBIDPROUVJV-UHFFFAOYSA-N
-rxn:5:227939:178295:227293,COC(=O)C1(c2cc(-c3cncc(OC(C)(C)C)c3)ccc2-c2ccccc2C(C)OC)CCC(=O)CC1,FQOYYUKHSZNIOW-UHFFFAOYSA-N
-rxn:5:227942:178295:227115,CCc1ccc(-c2ccc(-c3cc(C)c(C4CC4)cc3F)cc2C2(C(=O)OC)CCC(=O)CC2)c(OC)c1,WBVXIGWOZLRELO-UHFFFAOYSA-N
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-rxn:4:173534:224719,COC(=O)C(C)(C)Oc1cccc(C(=O)c2cccc(-c3cn(C(=O)OC(C)(C)C)nc3C(C)C)c2)c1,ZDTNCZGHOOHYRX-UHFFFAOYSA-N
-rxn:4:173553:226423,CC(C)(C)OC(=O)c1cc(C(=O)OC(C)(C)C)cc(-c2ccc(Cl)c(N3CCCC3)c2)c1,ABDRROWRTWCHJS-UHFFFAOYSA-N
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-rxn:4:173573:225765,CC(C)COc1c(F)ccc(-c2ccccc2C(=O)CCCCC2OCC(C)(C)CO2)c1F,BIPKBXVSSBBQEL-UHFFFAOYSA-N
-rxn:4:173574:226276,COc1ccc(-c2cccc(C(=O)CCCCC3OCC(C)(C)CO3)c2)cc1CN(C)C,DIPWGZVQVVCSNV-UHFFFAOYSA-N
-rxn:4:173713:224243,CC1CCCCN1C(=O)c1cc(F)cc(-c2ccc(OCC(F)(F)F)cc2OC(F)(F)F)c1,PQHKDEYWAAIEMA-UHFFFAOYSA-N
-rxn:4:173802:223571,O=C1c2ccccc2C(=O)N1CCOc1ccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)cc1,QXALOBCHLWITAL-UHFFFAOYSA-N
-rxn:4:173802:224286,O=S(=O)(OC(c1ccc(-c2ccc(OCCN3CCOCC3)c(Cl)c2)cc1)C(F)(F)F)C(F)(F)F,ZOQNFPAHPKXFBJ-UHFFFAOYSA-N
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-rxn:4:173802:226028,N#Cc1c(C(F)(F)F)ccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)c1F,MEARCSYYEAQHSV-UHFFFAOYSA-N
-rxn:4:173802:226030,COc1c(F)cc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)cc1C(F)(F)F,SMLUVYIRPYGPJN-UHFFFAOYSA-N
-rxn:4:174009:224289,COC(=O)C(C(C)=O)C(=O)c1ccc(-c2ccc(N(C)C(=O)OC(C)(C)C)cc2F)cc1,ITBQCPLKQJPXRN-UHFFFAOYSA-N
-rxn:4:174357:223559,CSc1ccccc1CCC(=O)c1ccc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)cc1F,WYZQZQWZJQYKMW-UHFFFAOYSA-N
-rxn:4:174407:225198,COC(=O)C1(c2cccc(-c3c(F)cccc3OC3CCCCO3)c2)CC(OC)(OC)C1,FSFDCZOUCNUGLZ-UHFFFAOYSA-N
-rxn:4:174428:222758,Cc1cc(-c2ccc(SC(C)(C)C(=O)OC(C)(C)C)cc2)ccc1NC(=O)OC(C)(C)C,YSMHJKVKAZIJFV-UHFFFAOYSA-N
-rxn:4:174431:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2cc(OC(C)C)cc(C(=O)OC(C)(C)C)c2)cc1,ZXSJAVVPVQWGGD-UHFFFAOYSA-N
-rxn:4:174441:225901,Cc1ccc(-c2cn(C(=O)OC(C)(C)C)nc2C)c(OC2(C(=O)OC(C)(C)C)CC2)c1,ROMPDJFVAVMXNM-UHFFFAOYSA-N
-rxn:4:174448:224485,CC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2ccc(C(=O)CO[Si](C)(C)C(C)(C)C)cc2)c1,DVMGSMRZHZSXKP-UHFFFAOYSA-N
-rxn:4:174514:222823,CC(C)[Si](Oc1cccc(-c2ccc(S(=O)(=O)NC(C)(C)C)cc2F)c1)(C(C)C)C(C)C,LRVMAQFUPCMTRJ-UHFFFAOYSA-N
-rxn:4:174515:224160,CC(C)[Si](Oc1ccc(-c2ccc3c(c2)CCN3C(=O)OC(C)(C)C)cc1)(C(C)C)C(C)C,OECKQNGULDRGDA-UHFFFAOYSA-N
-rxn:4:174518:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2cc(O[Si](C(C)C)(C(C)C)C(C)C)ccc2F)cc1,XOBHRAVKGCMSRF-UHFFFAOYSA-N
-rxn:4:174522:225158,CC(C)[Si](C#Cc1ccc(-c2ccc(C(=O)N3CCSCC3)cc2)cc1)(C(C)C)C(C)C,CCWLASMCCFJJNI-UHFFFAOYSA-N
-rxn:4:174526:222924,Cc1ccc(-c2ccc(O[Si](C(C)C)(C(C)C)C(C)C)c(Cl)c2C)cc1S(=O)(=O)NC(C)C,ZCBZMTKLHLBESZ-UHFFFAOYSA-N
-rxn:4:174531:223498,CCOC(=O)c1cc2cc(OC(F)(F)F)cc(-c3ccc(C(=O)N4CCCN(C(=O)OC(C)(C)C)CC4)cc3)c2o1,FEOYVUGQLPXTFY-UHFFFAOYSA-N
-rxn:4:174644:222537,COc1ccc(C=C2Oc3cc(OS(=O)(=O)c4ccc(-c5cc(C6CCCC6)nc(C6CCCNC6)c5)cc4)ccc3C2=O)cc1,DKOHYUNGRBMXHH-UHFFFAOYSA-N
-rxn:4:174656:222798,Cc1cc(S(=O)(=O)NC(C)(C)C)ccc1-c1cccc2cccc(C#C[Si](C(C)C)(C(C)C)C(C)C)c12,KHUZBNMTSRWLMB-UHFFFAOYSA-N
-rxn:4:174656:222857,COc1cc(-c2cccc3cccc(C#C[Si](C(C)C)(C(C)C)C(C)C)c23)cc(C2CCNCC2)c1,IUAKXJYHQMXQLN-UHFFFAOYSA-N
-rxn:4:174656:225114,CC(C)[Si](C#Cc1cccc2cccc(-c3csc(CO[Si](C)(C)C(C)(C)C)c3)c12)(C(C)C)C(C)C,GLOOCHNTZHKZOM-UHFFFAOYSA-N
-rxn:4:174688:222540,O=C(NCCN1CCCCC1)c1cccc(-c2ccc(OC(F)(F)F)c(C(=O)C(F)(F)F)c2)c1,FHNICGFPVMLGRN-UHFFFAOYSA-N
-rxn:4:174688:224821,O=C(c1cc(-c2ccc(F)c(S(=O)(=O)N3CCCC3)c2)ccc1OC(F)(F)F)C(F)(F)F,BMLADACWXWTRNS-UHFFFAOYSA-N
-rxn:4:175085:223973,Cc1cc(OCC(F)(F)C(F)F)ccc1-c1ccc(N2CCCC(C)C2)cc1C(F)(F)F,JFRRXYQAGYOPAO-UHFFFAOYSA-N
-rxn:4:175377:224421,CC(C)c1cc(C(C)C)c(-c2ccc(C(C)(OS(C)(=O)=O)C(F)(F)F)cc2)c(C(C)C)c1,MYTUGFGJRUABEA-UHFFFAOYSA-N
-rxn:4:175711:223815,Clc1ccc(-c2ccccc2OCCC2OCCCO2)cc1CN1CCC2(CC1)OCCO2,VNJSCFGFRSSLJE-UHFFFAOYSA-N
-rxn:4:175917:224247,COC(=O)c1cc(-c2ccc(C(=O)N3CCC(C)CC3)cc2F)c(OC2CCCCO2)cc1F,JQGQPJMYBLIABB-UHFFFAOYSA-N
-rxn:4:176048:223847,CCCCCC1CCC(c2ccc(-c3ccc(OCC4CCOCC4)c(C(C)(F)F)c3)cc2)CC1,CNUTVXOTFPZAMG-UHFFFAOYSA-N
-rxn:4:176050:225196,COc1cc(C2OCCCO2)c(-c2cc(Cl)c(F)c(OC3CCCC3)c2)c(OC)c1OC,DBKSUYGWIHOBRA-UHFFFAOYSA-N
-rxn:4:176117:223866,CC(=O)c1cccc(OS(=O)(=O)c2cc(C)c(-c3ccccc3CN3C(C)(C)CCCC3(C)C)cc2C)c1,PZXKNILUZUYODR-UHFFFAOYSA-N
-rxn:4:176144:222389,Cc1ccc(C(C)C)c(OS(=O)(=O)c2ccc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)cc2)c1,PZHYJUNUFMPGRE-UHFFFAOYSA-N
-rxn:4:176155:224719,Cc1cc(-c2cn(C(=O)OC(C)(C)C)nc2C(C)C)ccc1CO[Si](C)(C)C(C)(C)C,XKWGXZWBTBHWIN-UHFFFAOYSA-N
-rxn:4:176306:225197,O=C1C(=Cc2ccc(-c3cc(F)c(OC4CCCC4)c(Cl)c3)cc2)Oc2cc(OC(=O)C3CCCCC3)ccc21,FXXYADDTIJJZES-UHFFFAOYSA-N
-rxn:4:176322:224967,CCC1(CC)CC(C)(C)c2c1cc1c(c2-c2cc(C(=O)OC)cc(C(C)(C)C)c2)C(C)(C)CC1(CC)CC,ARXVGXDJSXCVET-UHFFFAOYSA-N
-rxn:4:176322:225128,CCC1(CC)CC(C)(C)c2c1cc1c(c2-c2cc(C3(C(=O)OC)CC3)ccc2F)C(C)(C)CC1(CC)CC,XVOFIFXDYQTCBG-UHFFFAOYSA-N
-rxn:4:176487:223637,CSc1cc(-c2ccccc2C2CCCN(C(=O)OC(C)(C)C)C2)cc(OC(F)F)c1Cl,JNZKAAUPOBBVAS-UHFFFAOYSA-N
-rxn:4:177310:223497,CC(C)OS(=O)(=O)c1ccccc1-c1ccc(C(C)N2CCC(O[Si](C)(C)C(C)(C)C)CC2)cc1,GXXDCOAPVYBXEA-UHFFFAOYSA-N
-rxn:4:177377:223712,COc1ccc(-c2ccc(F)c(OCC3OCCO3)c2)cc1C12CC3CC(CC(C3)C1)C2,GGDKMDMDMOOALU-UHFFFAOYSA-N
-rxn:4:177536:223696,CC(C)C(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc2)cc1C(F)(F)F,XEQZSOHIBMRTTO-UHFFFAOYSA-N
-rxn:4:177728:223559,COC(=O)C(C)(C)c1ccc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)cc1F,ZTZLKVPWRCBKHP-UHFFFAOYSA-N
-rxn:4:178176:223884,CC(C)(C)OC(=O)N1CCc2cc(-c3ccccc3OC(=O)C3CCCCC3)ccc2C1,JNUMGGNXYBVKBZ-UHFFFAOYSA-N
-rxn:4:178306:223562,CC(C)(C)OC(=O)N1CCC(Cc2ccc(-c3ccc(S[Si](C)(C)C(C)(C)C)cc3)cc2)CC1,LFDXRZPRXYAVMU-UHFFFAOYSA-N
-rxn:4:178381:222545,CC(C)(C)OC(=O)NC(C)(C)c1ccc(-c2c(C(C)(C)C)cc(C(C)(C)C)cc2C(C)(C)C)cc1,FQOJMFIPYVWASI-UHFFFAOYSA-N
-rxn:4:178381:222635,C[C@H](NC(=O)OC(C)(C)C)c1cccc(-c2c(C(C)(C)C)cc(C(C)(C)C)cc2C(C)(C)C)c1,MUUBVMLDTMNRTB-FQEVSTJZSA-N
-rxn:4:178381:222788,CC(C)(C)OC(=O)Nc1ccc(-c2c(C(C)(C)C)cc(C(C)(C)C)cc2C(C)(C)C)c(F)c1,OCIHDDMDLMWKCL-UHFFFAOYSA-N
-rxn:4:178381:225296,CC(C)(C)c1cc(C(C)(C)C)c(-c2ccc(S(=O)(=O)N3CCCC3)cc2)c(C(C)(C)C)c1,WUOIEWWRAOFZLT-UHFFFAOYSA-N
-rxn:4:178381:225343,CC(C)Sc1ncc(C(F)(F)F)cc1-c1c(C(C)(C)C)cc(C(C)(C)C)cc1C(C)(C)C,XKWZVNGRJUQIQO-UHFFFAOYSA-N
-rxn:4:178381:225364,Cc1cc(F)c(-c2c(C(C)(C)C)cc(C(C)(C)C)cc2C(C)(C)C)cc1S(=O)(=O)N(C)C,NWUMGAYIDHCSJS-UHFFFAOYSA-N
-rxn:4:178384:226075,COc1ccc2cc(-c3c(C4CCCCC4)cc(C4CCCCC4)cc3C3CCCCC3)ccc2c1,FIMXJJSMZKCDBH-UHFFFAOYSA-N
-rxn:4:178384:227972,c1ncc(C2CCC2)cc1-c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1,UQMXPZZCWKJYPB-UHFFFAOYSA-N
-rxn:4:178384:228232,Clc1ncc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)cc1C1CC1,KVILQZWMCTXPMW-UHFFFAOYSA-N
-rxn:4:178384:228446,COc1cc(F)cc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c1Cl,OBENKXTYARMDEE-UHFFFAOYSA-N
-rxn:4:178384:228510,CC(C)c1ccccc1-c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1,RUNWUISOWHNMOW-UHFFFAOYSA-N
-rxn:4:178384:228926,CSc1ncc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)cc1Cl,SNNLLYMZUVHNIQ-UHFFFAOYSA-N
-rxn:4:178594:225671,Fc1cnc(C2CCCCC2)cc1-c1cc(Cl)c(OCC23CC4CC(CC(C4)C2)C3)cc1F,JPABOBXGLLSOIL-UHFFFAOYSA-N
-rxn:4:178594:226571,Fc1cc(OCC23CC4CC(CC(C4)C2)C3)c(Cl)cc1-c1cnn(CC2CCOCC2)c1,WDYHQMUQCYTILC-UHFFFAOYSA-N
-rxn:4:178597:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2ccc(OC(=O)C3OC4OC(C)(C)OC4C4OC(C)(C)OC34)cc2)cc1,XNXFVQMRDMSFIQ-UHFFFAOYSA-N
-rxn:4:178597:227079,CC(C)Cc1ccc(F)c(-c2ccc(OC(=O)C3OC4OC(C)(C)OC4C4OC(C)(C)OC34)cc2)c1,ZIWQXVXOZBJBKB-UHFFFAOYSA-N
-rxn:4:178597:227730,Cc1nn(-c2nccs2)cc1-c1ccc(OC(=O)C2OC3OC(C)(C)OC3C3OC(C)(C)OC23)cc1,DCTRDBWQXNXQCH-UHFFFAOYSA-N
-rxn:4:178932:223533,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cccc(S(=O)(=O)C(F)F)c3F)c(F)c2)CC1,UJJIMZMJOAAYHI-UHFFFAOYSA-N
-rxn:4:179496:223480,Cc1cc(-c2ccccc2OC(C)C)cc(C)c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,DUEOOPYPJJZDRP-UHFFFAOYSA-N
-rxn:4:179896:223999,CC1CCN(S(=O)(=O)c2ccc(F)c(-c3ccc(C4OCCO4)c(C(F)(F)F)c3)c2)CC1,XYVKQQOPMWCGTO-UHFFFAOYSA-N
-rxn:4:180038:223712,COc1ccc(-c2cc(C3OCCO3)c(F)c(F)c2OC)cc1C12CC3CC(CC(C3)C1)C2,ISKIVOUHECILFB-UHFFFAOYSA-N
-rxn:4:180039:222523,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc(F)c(C3(C(F)(F)F)CCC3)c2)c(C(F)(F)F)c1,HIZLQKUFLQHYQK-UHFFFAOYSA-N
-rxn:4:180352:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1ccc(OC2CCS(=O)(=O)CC2)cc1,POXWLOITIPLCOJ-UHFFFAOYSA-N
-rxn:4:180352:222514,COc1ccc(-c2ccc(OC3CCS(=O)(=O)CC3)cc2)cc1S(=O)(=O)NC1CCCCC1,XWSIYTDUXIHCFP-UHFFFAOYSA-N
-rxn:4:180792:225007,CCOC1CCC2(CC1)Cc1ccc(-c3cccc(CN4CCCCC4)c3F)cc1C2=O,DPDGQXHBDUNZBV-UHFFFAOYSA-N
-rxn:4:180815:224705,COc1ccc(-c2ccc(N3CCC(C)CC3)c(F)c2F)cc1C12CC3CC(CC(C3)C1)C2,IKAPRZLFDPHHRV-UHFFFAOYSA-N
-rxn:4:181900:223521,Cc1cc(C)c(S(C)(=O)=O)cc1-c1cccc(C(C)N2CCN(C(=O)OC(C)(C)C)CC2)c1,QXJSBINDPNISEW-UHFFFAOYSA-N
-rxn:4:182104:223712,COc1ccc(-c2ccc(C3=CCC4(CC3)OCCO4)cc2)cc1C12CC3CC(CC(C3)C1)C2,LBVVDESSIOBCLL-UHFFFAOYSA-N
-rxn:4:182299:223838,CC(=O)c1cc2c(cc1-c1ccc(N3CCN(S(=O)(=O)N(C)C)CC3)cc1)OCCCO2,OOYCYSMOSKYABB-UHFFFAOYSA-N
-rxn:4:182308:223712,COc1ccc(-c2cc3c(cc2C2OCCO2)OCCO3)cc1C12CC3CC(CC(C3)C1)C2,MSQBFTKTCKHARK-UHFFFAOYSA-N
-rxn:4:182322:223886,CSc1sc(-c2cccc3c2CCN(C(=O)OC(C)(C)C)C3)c2c1C(=O)CC(C)(C)C2,VZERONBHXHHHFS-UHFFFAOYSA-N
-rxn:4:182368:224742,COc1cc(OC)c(C2OCCO2)cc1-c1ccc2c(c1)C(=O)C1(CCC(C(F)(F)F)CC1)C2,KYNWXQYLLDHMDN-UHFFFAOYSA-N
-rxn:4:182372:224481,CO[C@H]1CC[C@]2(CC1)Cc1ccc(-c3ccc(OCCCN4CCCC4)cc3)cc1C2=O,ZAZDSHUYYNBACC-XBTDCMMSSA-N
-rxn:4:182374:222820,CC(=O)c1cc2c(cc1-c1ccc(S(=O)(=O)NC(C)(C)C)c(F)c1)C(C)(C)CCC2(C)C,UDKFILREBUIFKH-UHFFFAOYSA-N
-rxn:4:182376:223009,CO[C@H]1[C@H](C)C[C@@]2(Cc3ccc(-c4cc(Cl)cc(C5CCNCC5)c4)cc3C2=O)C[C@@H]1C,GMKTUAVLXUEESC-OSELZAKSSA-N
-rxn:4:182376:225197,CO[C@H]1[C@H](C)C[C@@]2(Cc3ccc(-c4cc(F)c(OC5CCCC5)c(Cl)c4)cc3C2=O)C[C@@H]1C,PFELSENHMWFEPJ-GFBKLXCLSA-N
-rxn:4:183260:223489,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3ccc4c(c3)COC43CCCCC3)cc2)CC1,TXSQSDKDZYXOSR-UHFFFAOYSA-N
-rxn:4:183265:224702,Cc1c(-c2ccc3c(c2)C(=O)C2(CCC(F)(F)CC2)C3)cc(F)c(OC2CCCC2)c1F,YMIAFLNUERJHNT-UHFFFAOYSA-N
-rxn:4:183272:223017,COC(=O)c1cccc2cc(-c3ccc4c(c3)OCCOCCOCCOCCOCCO4)[nH]c12,ZNPQMPWHJBUNJV-UHFFFAOYSA-N
-rxn:4:183495:222798,CCOC(=O)Cc1ccc(C(F)F)c(-c2ccc(S(=O)(=O)NC(C)(C)C)cc2C)c1C#N,IYRPTJYPOLCZKO-UHFFFAOYSA-N
-rxn:4:183504:223892,CCOC(=O)Cc1cc(C(F)F)c(-c2ccc(OCCCN3CCN(C)CC3)cc2)cc1C#N,XLYPJFLDCUCVIR-UHFFFAOYSA-N
-rxn:4:183526:225289,CCOC(=O)Cc1cc(C(F)(F)F)cc(-c2cc(C(F)(F)F)ccc2OC(C)C)c1C#N,YIHCOEUETGYXMH-UHFFFAOYSA-N
-rxn:4:183533:224161,CCOC(=O)Cc1ccc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)C3)c(C(F)(F)F)c1C#N,LFVHNNRSQHVKGR-UHFFFAOYSA-N
-rxn:4:183591:223646,CCOC(=O)C(C)Oc1ccc(-c2ccc(OC3CCN(C(=O)OC(C)(C)C)C3)cc2)cc1[N+](=O)[O-],OYFUMNVORRKROJ-UHFFFAOYSA-N
-rxn:4:183694:224845,COC(=O)C1CN(Cc2cc(OC(F)(F)F)cc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)c2)C1,BLKAZWPLIUCDCV-UHFFFAOYSA-N
-rxn:4:183743:223958,CCCCOc1cc(-c2ccc(C(=O)N3CCN(CC)CC3)c(F)c2)ccc1C(=O)N1CCC1,BQELTAXRHNVGGK-UHFFFAOYSA-N
-rxn:4:183772:223634,CCN(Cc1ccccc1)C(=O)c1cc(-c2ccc(OC(F)(F)F)cc2OCC(=O)N2CCCC(F)(F)C2)ccc1F,FOPQTLNRQBCUKM-UHFFFAOYSA-N
-rxn:4:183820:222899,CCCCNS(=O)(=O)c1ccc(-c2ccc(OCC(C)(C)C(=O)OC(C)(C)C)nc2)cc1,MRCUODXKRPWAOD-UHFFFAOYSA-N
-rxn:4:183824:223541,CC(C)(C)OC(=O)N(Cc1ccc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC3(CC2)OCCO3)cc1Cl)C1CC1,JKDIAWUSRUQFPK-UHFFFAOYSA-N
-rxn:4:183842:226244,CCCCOc1cccc(F)c1-c1ccc(OC(F)(F)F)cc1OCCN1CCOC(C)C1,JWGCHBJWEGGKAR-UHFFFAOYSA-N
-rxn:4:183874:223759,COc1cc(COc2ccc(-c3cc(F)ccc3CN(C(=O)OC(C)(C)C)C3COC3)cc2)cc(OC)c1,QOSHNTCLPJFJMZ-UHFFFAOYSA-N
-rxn:4:183882:223080,CC(C)NS(=O)(=O)c1ccc(-c2cc(OCC3CN(C(=O)OC(C)(C)C)C3)ccc2F)cc1,LRZWVCNJONSGOZ-UHFFFAOYSA-N
-rxn:4:183914:226243,CCOC(=O)Cc1ccc(-c2cc(OC(F)(F)F)ccc2OCCN2CCCC(C)C2)cc1,OIXOFPGOQDBOBJ-UHFFFAOYSA-N
-rxn:4:183928:225568,COC(=O)C(C)(C)c1ccc(-c2ccc(C(C)N(C(=O)OC(C)(C)C)C3CC3)cc2)cc1,AGAXEPNPAPAOIS-UHFFFAOYSA-N
-rxn:4:183928:226715,CC(c1ccc(-c2cnn(C(=O)OC(C)(C)C)c2)cc1)N(C(=O)OC(C)(C)C)C1CC1,WWYUTEWCBHIYHZ-UHFFFAOYSA-N
-rxn:4:183943:223239,CC(C)(C)OC(=O)N1CC(CS(=O)(=O)c2ccc(-c3cncc(C4CCCN4)c3)cc2)C1,IQZYEECYWDHLDD-UHFFFAOYSA-N
-rxn:4:183965:225191,COC(=O)c1cc(OCCN2CCCC(C)C2)cc(-c2cnc(OC3CCCCC3)cc2F)c1,LBGPCDSZSVSCDK-UHFFFAOYSA-N
-rxn:4:183968:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3cc(F)cc(OCC4CCN(C(=O)OC(C)(C)C)C4)c3)c2)CC1,DZCIXZHBKMPVHB-UHFFFAOYSA-N
-rxn:4:183984:225390,Cc1cc(-c2cc(CC(C)C)cc(C3CC3)c2)ccc1CN(C(=O)OC(C)(C)C)C(C)C,IJWFJRPGPZIFHH-UHFFFAOYSA-N
-rxn:4:183993:222540,Cc1ccc(-c2cccc(C(=O)NCCN3CCCCC3)c2)cc1CN(C(=O)OC(C)(C)C)C1CCC1,OCENEXKLKDUVBO-UHFFFAOYSA-N
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-rxn:4:184062:224179,Cc1cc(CN(C(=O)OC(C)(C)C)C2CCCC2)ccc1-c1ccc(OCCN2CCN(C)CC2)cc1,RSNVIXZMJSBLBQ-UHFFFAOYSA-N
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-rxn:4:184091:224064,COc1cc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)c(OC)cc1-c1cc(C2CC2)cc(N2CCCCC2C)c1,XORDJWBCHGOGDX-UHFFFAOYSA-N
-rxn:4:184093:222974,CC(C)c1ccc(CN(C(=O)c2ccc(-c3ccc(C(=O)NC(C)(C)C)cc3)cc2)C2CCS(=O)(=O)C2)cc1,ZOIBRZOZTJORLC-UHFFFAOYSA-N
-rxn:4:184094:222977,Cc1ccc(C(=O)NC2CC2)cc1-c1ccccc1C(=O)N(Cc1ccc(C(C)C)cc1)C1CCS(=O)(=O)C1,ONTPQTLXVDRFHC-UHFFFAOYSA-N
-rxn:4:184096:227038,COc1ccc(C(C)C)cc1-c1ccc(CN(C(=O)OC(C)(C)C)C2CCC(C)(C)CC2)cc1,TUYBKVVWYNYDQK-UHFFFAOYSA-N
-rxn:4:184099:224447,Cc1ccc(COc2cccc(-c3ccc(C(C)N(C(=O)OC(C)(C)C)C4CCC(C)(C)CC4)cc3)c2)cc1,DEJRVHVETFGOPH-UHFFFAOYSA-N
-rxn:4:184099:224464,CCc1ccc(-c2ccc(-c3ccc(C(C)N(C(=O)OC(C)(C)C)C4CCC(C)(C)CC4)cc3)c(F)c2)cc1,RGBDFRBGNHCPLH-UHFFFAOYSA-N
-rxn:4:184099:227483,COC(=O)Cc1ccc(-c2ccc(C(C)N(C(=O)OC(C)(C)C)C3CCC(C)(C)CC3)cc2)cn1,PWNOUJJIMYOLKQ-UHFFFAOYSA-N
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-rxn:4:184183:228440,COc1cc(Cl)c(F)c(-c2ccc(OC)c(CCC(=O)N3C4CCC3CC(SC)C4)c2)c1,DWNQGZNWORDYNA-UHFFFAOYSA-N
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-rxn:4:184208:226061,CC(C)c1cc(-c2ccc(CN(C(=O)OC(C)(C)C)C3CCCC3)c3ccccc23)cc(C2CC2)c1,BBVDSNJAAOFYOR-UHFFFAOYSA-N
-rxn:4:184218:223922,COc1cccc(CN(C(=O)c2oc3cc(-c4ccc(Cl)c(C(=O)N(C)C5CCCCC5)c4)ccc3c2C)C2CCS(=O)(=O)C2)c1,ZLISJVOANBDKPR-UHFFFAOYSA-N
-rxn:4:184222:227343,COC(=O)c1cc(C)cc(-c2ccc(CN(C(=O)OC(C)(C)C)C3CCCCC3)c3ccccc23)c1,AIYWUIABPFZESH-UHFFFAOYSA-N
-rxn:4:184328:222522,CCOC(=O)CC(=O)c1ncccc1-c1ccc(OC)c(S(=O)(=O)N2CCC(O)CC2)c1,HXISOKSNQKZDBZ-UHFFFAOYSA-N
-rxn:4:184564:223646,CCOC(=O)c1ccc(OC)c(-c2ccc(OC3CCN(C(=O)OC(C)(C)C)C3)cc2)c1C#N,TWFIBCNGCSHDQY-UHFFFAOYSA-N
-rxn:4:184695:222587,O=C(ON1C(=O)CCC1=O)c1cc(OC(F)(F)F)cc(-c2cc(NCc3ccccc3)cc([N+](=O)[O-])c2)c1,CBGXNDDNZQISDX-UHFFFAOYSA-N
-rxn:4:184829:223951,CCOc1cc(C(=O)N(C)CC)ccc1-c1ccc(OCCN2CCN(C)CC2)c(F)c1,VTEJQNFULFFAQK-UHFFFAOYSA-N
-rxn:4:184872:223784,CCCOc1cc(-c2ccc(OCCN3CCN(CC)CC3)c(F)c2)ccc1C(=O)N1CCC1,HOFXBYUNKVIXRB-UHFFFAOYSA-N
-rxn:4:184882:225337,O=C(Cc1ccc(-c2cc(F)cc(COCC(F)(F)F)c2)cc1OC(F)(F)F)N1CCCC1,MPWNMSHZLLVBDL-UHFFFAOYSA-N
-rxn:4:184897:224065,CC1CCN(c2cc(-c3ccc(C(=O)N4CC(S(=O)(=O)Cc5ccco5)C4)o3)cc(C3CC3)c2)CC1,PMJJHVFGZSTMLA-UHFFFAOYSA-N
-rxn:4:184930:225193,N#Cc1cc(-c2cc(C(F)(F)F)ccc2OCC(=O)N2CCOCC2)ccc1C1COCCO1,KEHFCFFCLIITPA-UHFFFAOYSA-N
-rxn:4:184931:222509,COC(=O)CN1C(=O)C(=Cc2ccc(OC)c(-c3cc(F)cc(C(=O)Nc4cc(Cl)ccc4C)c3)c2)SC1=S,KQRPTNQWSOBUMT-UHFFFAOYSA-N
-rxn:4:185012:223606,O=C(c1cccc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c(F)c2)c1)N1CC(S(=O)(=O)Cc2ccco2)C1,NFBBCHWLZGFSPF-UHFFFAOYSA-N
-rxn:4:185018:223952,CN1CCN(CCOc2ccc(-c3ccccc3OCCCN3CCCCC3)cc2Cl)CC1,PFJRDJVMUNTXKM-UHFFFAOYSA-N
-rxn:4:185019:224485,CC(C)N(C(=O)Cc1ccc(-c2ccn([Si](C(C)C)(C(C)C)C(C)C)c2)cc1)C(C)C,KZMCTDAIWXSDKY-UHFFFAOYSA-N
-rxn:4:185030:224937,CCOC(=O)C1(c2ccc(-c3ccc(OCCCN4CCC(F)(F)CC4)cc3)cc2)CC1,SFZOCFWJWZRAPI-UHFFFAOYSA-N
-rxn:4:185062:223598,Fc1cc(-c2cc(Cl)cc(F)c2OCCN2CCC(C(F)(F)F)CC2)ccc1OCCN1CCC2(CC1)OCCO2,BTNWAZYPKGICPI-UHFFFAOYSA-N
-rxn:4:185079:222896,CC(C)N(C(=O)OC(C)(C)C)c1ccc(-c2ccc(CNC(=O)OC(C)(C)C)s2)cc1,VOTQUYFOZCBAPA-UHFFFAOYSA-N
-rxn:4:185117:224060,COc1c(C(C)(C)C)cc(-c2cccc(S(=O)(=O)CC(=O)N3CCCC(C(F)(F)F)C3)c2)cc1C(C)(C)C,NNNYYUQEQNVLBG-UHFFFAOYSA-N
-rxn:4:185142:223569,CCOC(=O)c1sc(-c2cnc3c(ccn3[Si](C(C)C)(C(C)C)C(C)C)c2F)nc1-c1ccc(C(C)(C)C)cc1,PNUNACHWYDGWOK-UHFFFAOYSA-N
-rxn:4:185145:223139,CCOC(=O)C1CCCN(S(=O)(=O)c2ccc(-c3ccc(C4CCNCC4)nc3)cc2)C1,ANLGMFMXPYUCLA-UHFFFAOYSA-N
-rxn:4:185146:223802,COc1cc(C(=O)N2CCOCC2)c(-c2cccc(OCc3ccc(C(F)(F)F)cc3)c2)c(OC)c1OC,WEHADSRBMVVWLG-UHFFFAOYSA-N
-rxn:4:185181:223699,COc1cc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2C(F)(F)F)cnc1CO[Si](C)(C)C(C)(C)C,QHXRPADHJNMIBC-UHFFFAOYSA-N
-rxn:4:185194:222614,CCCOc1ccc(-c2ccc(S(=O)(=O)NC3CC3)cc2C(F)(F)F)cc1S(=O)(=O)N1CCCCC1,VQLPXSFNDPDLTL-UHFFFAOYSA-N
-rxn:4:185196:224609,COc1ccc(C2CN(C(=O)OC(C)(C)C)C2)cc1-c1cnccc1C(=O)N(C(C)C)C(C)C,IIQZETXWFUWWMZ-UHFFFAOYSA-N
-rxn:4:185217:222621,CC(C)Cc1cc(-c2ccccc2C(=O)N(Cc2ccco2)C2CCOCC2)cc(C2CCCNC2)n1,PAHDBLPYBPMIMW-UHFFFAOYSA-N
-rxn:4:185224:227052,COc1cc(-c2ccc(SC(C)(C)C)cc2)cc(OC)c1C(=O)N1CCC(C(F)(F)F)CC1,DUSRTFWBKNBQDZ-UHFFFAOYSA-N
-rxn:4:185260:225733,CCCCOc1cc(-c2ccc(CC3CCN(C(=O)OC(C)(C)C)C3)cc2)c(F)cc1F,LSHOGAVTBRGSHJ-UHFFFAOYSA-N
-rxn:4:185301:223999,Cc1ccc(-c2cc(S(=O)(=O)N3CCC(C)CC3)ccc2F)cc1OCCCN1CCC(C)CC1,ZVARGMAOAYWPGU-UHFFFAOYSA-N
-rxn:4:185307:224986,CCCOc1cc(S(=O)(=O)N2CCCC(C)C2)ccc1-c1ccc(N2CCCCC2)cc1C#N,RYVJXFQFAPPESA-UHFFFAOYSA-N
-rxn:4:185308:226844,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2)CC1,QKKJRSJGAZEDDB-UHFFFAOYSA-N
-rxn:4:185315:225286,CC(C)(C)OC(=O)c1cnc(F)cc1-c1ccc(C2CC2)c(C2CN(C(=O)OC(C)(C)C)C2)c1,OCPFSQGRTHAXBI-UHFFFAOYSA-N
-rxn:4:185319:224158,CC(C)(C)OC(=O)N1CC(c2ccc(-c3ccc4c(ccn4C(=O)OC(C)(C)C)c3)cc2C2CC2)C1,BERSKSMUYIVZNN-UHFFFAOYSA-N
-rxn:4:185334:224497,CCN1CCN(Cc2ccc(-c3ccc(OC)c(C4SCCN4S(=O)(=O)c4ccc(OC)cc4)c3)cc2)CC1,NGZJENCZJIKVCE-UHFFFAOYSA-N
-rxn:4:185349:225377,COc1cc(S(=O)(=O)N(C)C2CCCCC2)c(OC)cc1-c1ccc(OC(F)F)c(C(F)(F)F)c1,NPTAKVUKXYEJPP-UHFFFAOYSA-N
-rxn:4:185355:222779,CC(C)(C)OC(=O)NCc1cnccc1-c1cccc(C(=O)C2CCN(C(=O)OC(C)(C)C)CC2)c1,OLWNUKADYDQSMS-UHFFFAOYSA-N
-rxn:4:185369:222912,CC(C)CNS(=O)(=O)c1ccc(-c2cccc(C(=O)N3CCCCC3CSC(C)(C)C)c2)cc1,XAYVNZIXRGVISJ-UHFFFAOYSA-N
-rxn:4:185381:224240,CC(C)(C)OC(=O)N1CCCC(c2cc(-c3ccc(OCc4ccccc4)c(Cl)c3F)cc(C(F)(F)F)c2)C1,VVUWJFVOCFGMJB-UHFFFAOYSA-N
-rxn:4:185386:225537,CCN(CC)Cc1ccc(F)c(-c2cc(C3CCCN(C(=O)OC(C)(C)C)C3)ccc2C(F)(F)F)c1,RHWYNKNEBDCCTQ-UHFFFAOYSA-N
-rxn:4:185387:224306,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3ccc(C(F)(F)F)cc3OC3CCCC3)cc2C(F)(F)F)CC1,XHVHDPQNFNHSMS-UHFFFAOYSA-N
-rxn:4:185400:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2ccc(CN3CC(O[Si](C)(C)C(C)(C)C)C3)cc2)cc1,IRBARCNYNOQNDV-UHFFFAOYSA-N
-rxn:4:185410:224744,CC(C)(C)OC(=O)c1cc(F)c(-c2ccc(C3CCN(C(=O)OC(C)(C)C)C3)cc2C2CC2)cc1Cl,OOWVQCAYDBHAIQ-UHFFFAOYSA-N
-rxn:4:185411:224847,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3cc(C(C)(C)C)ccc3C(C)(C)C)cc2C2CC2)C1,LNHVAPFMJHWMMQ-UHFFFAOYSA-N
-rxn:4:185418:225088,COc1ccc(S(=O)(=O)C2CCN(C(=O)c3ccccc3-c3ccc(OCCN(C)C)c(OC)c3)CC2)cc1,CPLBCUUKFAXWQO-UHFFFAOYSA-N
-rxn:4:185440:229155,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3cn(C4CC4)nn3)c(F)c2)CC1,ALYCVQUEVBLBTO-UHFFFAOYSA-N
-rxn:4:185452:223969,CCOC(=O)c1[nH]c2ccc(OC(F)(F)F)cc2c1-c1cc(C(F)(F)F)ccc1N1CCC(C)CC1,JYQQBNRZNQYBOI-UHFFFAOYSA-N
-rxn:4:185468:223891,CC(C)(C)OC(=O)n1ccc2cc(OC(F)(F)F)cc(-c3c(F)ccc4c3ccn4[Si](C)(C)C(C)(C)C)c21,XLGVWTQVYLZPQM-UHFFFAOYSA-N
-rxn:4:185489:224607,CCOCCCN1Cc2cc(-c3ccc(C(=O)OCC[Si](C)(C)C)cc3)ccc2OCC1=O,KRWZKDJDSLOLRO-UHFFFAOYSA-N
-rxn:4:185494:224059,COC(=O)c1ccc2c(c1)c(-c1cc(C(C)(C)C)cc(C(C)(C)C)c1OC)cn2C(=O)OC(C)(C)C,BNXDQGDNIXSDJE-UHFFFAOYSA-N
-rxn:4:185510:222933,COC(=O)c1cc(-c2cnc(NC(=O)OC(C)(C)C)nc2)cc2c1N(C(=O)OC(C)(C)C)CC2,QALFVAPCXAWUAJ-UHFFFAOYSA-N
-rxn:4:185543:226539,CCOC(=O)c1ccc(Cl)cc1-c1ccc2c(c1)CCOC2CN(C)C(=O)OC(C)(C)C,AUXJHMWUEXHKNJ-UHFFFAOYSA-N
-rxn:4:185603:224917,Cc1cc(N2CCC(C)CC2)ccc1-c1ccc2oc(C(=O)N(Cc3cccc(F)c3)C3CCS(=O)(=O)C3)c(C)c2c1,BFHBIVMKSKGNIW-UHFFFAOYSA-N
-rxn:4:185608:225952,Cc1nc(N2CCOCC2)ncc1-c1ccc(CC(=O)N2C3CCC2CC(S(=O)(=O)c2ccccc2)C3)cc1,AEOLJJCYBFRREJ-UHFFFAOYSA-N
-rxn:4:185647:224682,CC(C)(C)OC(=O)N1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(-c4ccc(C(=O)N5CCCCC5)c(Cl)c4)cc3CC[C@@H]12,SSBOPUPCRIIDJK-CYEXUTLASA-N
-rxn:4:185900:224017,COC(=O)c1c(-c2ccc(N3CCCS3(=O)=O)cc2C(F)(F)F)cc(C#N)cc1C(F)(F)F,ZOJNANSSCWCHDH-UHFFFAOYSA-N
-rxn:4:185912:223728,CCCCCC1CCC(c2ccc(-c3ccc(C#N)c(C(=O)OC)c3C(F)(F)F)c(F)c2)CC1,IGZMTLXXIKKICF-UHFFFAOYSA-N
-rxn:4:186496:223559,COC(=O)c1c(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)ccn1C(=O)c1ccccc1,KQRIICYMBWYRCN-UHFFFAOYSA-N
-rxn:4:186615:224195,CCN1CCN(Cc2cc(-c3cc(C(=O)OC(C)(C)C)ccc3[N+](=O)[O-])ccc2Cl)CC1,DXXXGVSDRIZJCX-UHFFFAOYSA-N
-rxn:4:186768:223582,CCN(C(=O)c1ccc(-c2cc3ccc(C(=O)OC)cc3n2C(=O)OC(C)(C)C)c(Cl)c1)C(C)C,JBTNHLAJEZAUAE-UHFFFAOYSA-N
-rxn:4:186799:223491,CC(C)(C)OC(=O)N1CCN(c2cc(-c3ccc(OCC(=O)N4CCOCC4)c(F)c3)cc(C(F)(F)F)c2)CC1,HSLGXBDBMJKEOF-UHFFFAOYSA-N
-rxn:4:186907:223985,COc1ccc(-c2cc(/C=N/S(=O)C(C)(C)C)ccc2C(F)(F)F)cc1S(=O)(=O)N1CCCCC1,CVOPIWXNDMJGBO-LQKURTRISA-N
-rxn:4:186957:223595,COC(=O)c1ccc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c(F)c2)cc1CN1CCCC1,NXGOGKSSVAVLQT-UHFFFAOYSA-N
-rxn:4:187012:223972,CC1CCCCN1c1ccc(-c2ccc(C(=O)N3CCCCC3)cc2OC(F)(F)F)c(C(F)(F)F)c1,UFBIXYOIXMSXSS-UHFFFAOYSA-N
-rxn:4:187053:222541,CC(C)N(C(=O)c1cccc(F)c1-c1ccc(C(=O)NCCN2CCCCC2)cc1)C(C)C,YYXYYWLGAOUFIG-UHFFFAOYSA-N
-rxn:4:187064:223542,CCOc1cc(S(=O)(=O)N2CCCC2)ccc1-c1ccc(OC(F)(F)F)c(S(=O)(=O)N2CCN(C)CC2)c1,HBKMCESTQGRKHE-UHFFFAOYSA-N
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-rxn:4:191089:225901,Cc1nn(C(=O)OC(C)(C)C)cc1-c1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2(C)C,NCOIIXFUTCZOJH-UHFFFAOYSA-N
-rxn:4:191090:222838,CC(C)(C)OC(=O)N1Cc2cccc(-c3ccc(CNC(=O)C(C)(C)C)cc3)c2C(C)(C)C1,UKADAEZABNSBOW-UHFFFAOYSA-N
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-rxn:4:191092:222918,CC(C)(C)NS(=O)(=O)c1cccc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)C(C)(C)C3)c1,IYDBVFPGGSPUPG-UHFFFAOYSA-N
-rxn:4:191106:227063,Cc1ccc(-c2ccc3c(c2)C2(CCOCC2)CN3C(=O)OC(C)(C)C)c(OC(C)C)c1,KUFAGFOPJODDJI-UHFFFAOYSA-N
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-rxn:4:193219:223606,Cc1cc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c(F)c2)ccc1C(=O)N1CC=CC1,CPUFWXGVODOAHP-UHFFFAOYSA-N
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-rxn:4:193518:225297,CC1=CC(=O)C=CC1=NS(=O)(=O)c1ccc(-c2cccc(S(=O)(=O)N3CCCC3)c2)cc1,KZAUFLXQCKCETF-UHFFFAOYSA-N
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-rxn:4:211060:223918,CN1CCN(C2CCCc3cc(-c4cc(C(=O)N(C)C5CCCCC5)ccc4F)ccc32)CC1,FDRPNRJUHCZHQT-UHFFFAOYSA-N
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-rxn:4:211101:227386,Cc1ccc(C2=NN3C(C2)c2cc(-c4cnn(C5CCCCC5)c4)ccc2OC32CCC(C)CC2)cc1,PTHFFEGWTGPBSG-UHFFFAOYSA-N
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-rxn:4:212526:226829,Cc1cc(C(F)(F)F)cc(-c2cc([N+](=O)[O-])ccc2OCCN2CCC(C#N)CC2)c1Cl,PUSVCZMITYIXBK-UHFFFAOYSA-N
-rxn:4:212541:224624,CC(C)(C)COC(=O)c1ccc(Cl)cc1-c1cncc(OCC2CN(C(=O)OC(C)(C)C)C2)n1,GMCDRULNUSJOOC-UHFFFAOYSA-N
-rxn:4:212542:224672,CCOCC(=O)N1CCCC(Oc2ncc(-c3ccc(N4CCN(CC)CC4)cc3Cl)cn2)C1,MOUYTDBCEHXOSW-UHFFFAOYSA-N
-rxn:4:212542:225725,CCOCC(=O)N1CCCC(Oc2ncc(-c3cc(C(=O)OCC)ccc3C#N)cn2)C1,CJMMTSFGXFTSTM-UHFFFAOYSA-N
-rxn:4:212543:222820,COCC(=O)N1CCCC(COc2ncc(-c3ccc(S(=O)(=O)NC(C)(C)C)c(F)c3)cn2)C1,BANZKPWYLMWUTN-UHFFFAOYSA-N
-rxn:4:212543:225205,COCC(=O)N1CCCC(COc2ncc(-c3cc(C4CC4)c(C(F)(F)F)cc3C)cn2)C1,SHWZUZMZVATDEU-UHFFFAOYSA-N
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-rxn:4:212593:222912,CC(C)CNS(=O)(=O)c1ccc(-c2ccc(C(=O)N(C)C3CN(C(=O)OC(C)(C)C)C3)cn2)cc1,XELGRLJSCBMRGC-UHFFFAOYSA-N
-rxn:4:212626:222630,N#Cc1ccnc(OCC2CCN(S(=O)(=O)c3ccc(-c4cc(C5CCC5)nc(C5CCNCC5)c4)cc3)CC2)c1,PUFNDZUWVCZGQP-UHFFFAOYSA-N
-rxn:4:212648:223579,CC1CN(C(=O)OC(C)(C)C)CCN1c1ccc(-c2cn(C)nc2OCC2CCN(C(=O)OC(C)(C)C)CC2)cc1,MWBOVKPBNIAYBL-UHFFFAOYSA-N
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-rxn:4:212685:227902,CCc1cc(-c2ccc(S(=O)(=O)N3CCN(c4ccc(C(=O)OC)cc4[N+](=O)[O-])CC3)cc2)ccc1C#N,BZZFODWHSAUBSX-UHFFFAOYSA-N
-rxn:4:212690:223802,Cn1ncc(-c2cccc(OCc3ccc(C(F)(F)F)cc3)c2)c1CN(C(=O)OC(C)(C)C)C1CCCCC1,YPWDUTFYBITBRM-UHFFFAOYSA-N
-rxn:4:212696:223077,O=C(c1ccc(-c2ccc(S(=O)(=O)NC3CC3)cc2)cc1)N1CCC(COc2ccc(C3CC3)nn2)CC1,RCSBQWKBTMRLOU-UHFFFAOYSA-N
-rxn:4:212706:222787,COc1ccc(C2=NN(C(=O)c3cccc([N+](=O)[O-])c3)C(c3ccc(-c4ccc(NC(=O)OC(C)(C)C)cc4Cl)cc3)C2)cc1,VSARPCAQMILTAN-UHFFFAOYSA-N
-rxn:4:212720:222753,CN(C(=O)c1ccc(-c2cccc(C(=O)NCc3cccs3)c2)nc1)C1CCCN(C(=O)OC(C)(C)C)CC1,JDIANLUGQKWTQV-UHFFFAOYSA-N
-rxn:4:212722:222698,Cc1ccc(S(=O)(=O)N(Cc2ccc(-c3ccc(C(=O)N4CCC(O)CC4)c(Cl)c3)cc2)C(=O)N2CCN(C)CC2)cc1,RXUJVITXYKQRMJ-UHFFFAOYSA-N
-rxn:4:212725:223170,CC(C)(C)c1ccc(OCC2CCN(C(=O)c3ccc(-c4cnc(C5CCCNC5)nc4)cc3)CC2)nn1,ORLPGOPXWFHGBW-UHFFFAOYSA-N
-rxn:4:212731:225909,CCOc1ccc(-c2ccc(S(=O)(=O)N3CCCC(c4nc(-c5cc(OC)cc(OC)c5)no4)C3)cc2)c(C(F)(F)F)c1,QQRMJHICAAPXPQ-UHFFFAOYSA-N
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-rxn:4:212742:223535,COc1ccc(CN(C)S(=O)(=O)c2ccc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4C)c(N4CCCC4)c3)cc2F)cc1,HHUACDVKNCEBGR-UHFFFAOYSA-N
-rxn:4:212771:225882,CN(C)CCN(C(=O)C1=COCCO1)c1nc2ccc(-c3cnc(Cl)c(C4CCOCC4)c3)cc2s1,JNXQJXBJCCHEGX-UHFFFAOYSA-N
-rxn:4:212839:228214,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4cnc(C5CC5)cc4F)ccn23)CC1,IOGZWLDRZZRIGS-UHFFFAOYSA-N
-rxn:4:212902:222636,C[C@@H](NC(=O)OC(C)(C)C)c1ccc(-c2cn(C)nc2CN(C)C(=O)OC(C)(C)C)cc1,LWMDGKRNIPFBTG-MRXNPFEDSA-N
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-rxn:4:212935:223650,CC(C)(C)OC(=O)N1CCN(c2ccccc2-c2cc(C(F)(F)F)cnc2N2CC(COc3cccnc3)C2)CC1,OKFQTMMHYQKCOQ-UHFFFAOYSA-N
-rxn:4:212937:222388,CCOC(=O)c1c(-c2cccc(NC(=O)Nc3ccc([N+](=O)[O-])cc3)c2)c(CN2CCOCC2)nn1C,JDJLMEOAZSIPEL-UHFFFAOYSA-N
-rxn:4:212943:225728,CCCCOc1ccc(-c2cnc(N3CCN(C(=O)OCC)CC3)c(C(F)(F)F)c2)c(F)c1F,RNLXKNLARXMSOP-UHFFFAOYSA-N
-rxn:4:212966:222791,CC(C)(C)OC(=O)Nc1ccc(Cl)c(-c2cnc(OC3CCN(C(=O)OC(C)(C)C)C3)nc2)c1,FRKAAASABJKJJS-UHFFFAOYSA-N
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-rxn:4:212991:223883,CC(C)(C)OC(=O)N1CCCc2cc(-c3cnc(OCC4CCN(S(=O)(=O)C5CC5)CC4)nc3)ccc21,RXGKSZQHUJKEEJ-UHFFFAOYSA-N
-rxn:4:213008:223830,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(OC)cc3C(=O)N3CC(c4nc(-c5ccco5)no4)C3)ccc2C)CC1,ZUENRCOTYWCGBQ-UHFFFAOYSA-N
-rxn:4:213028:224402,CCN(CC)S(=O)(=O)c1cc(F)c(F)cc1-c1ccc(Cl)c(C(=O)N2CCC(Oc3ncccc3C#N)CC2)c1,LMCLBNFWLXBWMD-UHFFFAOYSA-N
-rxn:4:213031:222748,COc1ccc(F)cc1S(=O)(=O)N1CCC(Oc2ncc(-c3cccc(C(=O)NCC4CCCO4)c3)cn2)C1,DBFWHBPPVZNDLV-UHFFFAOYSA-N
-rxn:4:213038:225984,CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(-c3cnc(Cl)c(N4CCOCC4)c3)c[nH]2)CC1,UKGDDUHNQCBIHP-UHFFFAOYSA-N
-rxn:4:213046:225088,COc1cc(-c2cnc(OC3CCN(C(=O)OC(C)(C)C)C3)nc2C)ccc1OCCN(C)C,JRFVDOQQJPUEER-UHFFFAOYSA-N
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-rxn:4:213070:224082,CCC(C(=O)OC(C)(C)C)c1cccc(-c2cnn(CC3CCN(C(=O)OC(C)(C)C)CC3)c2)c1,GEIVETAJDLEDDT-UHFFFAOYSA-N
-rxn:4:213080:227458,CN1CCOc2cc(-c3cncc(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c3)cnc21,CKUXITOMARTQON-UHFFFAOYSA-N
-rxn:4:213097:227033,CC(C)(C)OC(=O)N1CCC(C#N)(c2ccc(-c3ccc(C4CC4)c(C#N)c3)cn2)CC1,ZSTBSJBDIDRFMT-UHFFFAOYSA-N
-rxn:4:213104:223943,Cc1cc2c(cnn2C2CCCCO2)c(-c2cccnc2OC2CCN(C(=O)CN3C(=O)CCC3=O)CC2)c1Cl,JCIKYVKLJMFFOE-UHFFFAOYSA-N
-rxn:4:213116:223697,O=S(=O)(c1ccc(-c2cnc(OCC3CCCN(S(=O)(=O)c4ccc(F)cc4)C3)nc2)c(C(F)(F)F)c1)N1CCCCC1,BNRSZAUOZYFMDE-UHFFFAOYSA-N
-rxn:4:213123:223183,CNS(=O)(=O)c1ccc(-c2ccccc2CC(=O)N2CCN(c3ccnc(C(F)(F)F)c3)C(=O)C2)c(C)c1,QPWDPBVPQWVWNW-UHFFFAOYSA-N
-rxn:4:213123:224322,CC1CCN(S(=O)(=O)c2ccc(-c3ccccc3CC(=O)N3CCN(c4ccnc(C(F)(F)F)c4)C(=O)C3)cc2)CC1,ZUXVXNZRKZXDDQ-UHFFFAOYSA-N
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-rxn:4:213132:226232,CN(C)CCOc1cccc(-c2cnc(OCC3CCCN(C(=O)C(C)(C)C)C3)nc2)c1,UXQIXXDGHSWOET-UHFFFAOYSA-N
-rxn:4:213139:224350,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(C4CCCCC4)c(C(F)(F)F)c3)cc2[N+](=O)[O-])CC1,GNTDREHQYFSOBI-UHFFFAOYSA-N
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-rxn:4:213144:222518,CC(C)(C)OC(=O)Nc1nc2c(-c3cc([N+](=O)[O-])ccc3N3CCN(C(=O)OC(C)(C)C)CC3)ccc(F)c2s1,KEMMFPRIZJDXPF-UHFFFAOYSA-N
-rxn:4:213146:224484,CC(C)N(C(=O)c1ccccc1-c1ccccc1C(=O)N1CCC(CSc2nccn2C)CC1)C(C)C,SCFIOIHSCSMYIJ-UHFFFAOYSA-N
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-rxn:4:213176:224267,Cc1cccnc1OCC1CCN(C(=O)c2cncc(-c3cccc(N4CCC5(CC4)OCCO5)c3)c2)CC1,SZEJJAKQZMBVBZ-UHFFFAOYSA-N
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-rxn:4:213262:225426,CCN(CC)C(C)c1ccc(-c2ccc(C(=S)N3CCN(C(=S)c4ccc(N(C)C)cc4)CC3)cc2)cc1,KXGGFTIYFMVFIK-UHFFFAOYSA-N
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-rxn:4:213324:224100,C#CCn1c(=NC(=O)c2cccc(-c3ccccc3OCCN3CCC(C)CC3)c2)sc2cc(S(N)(=O)=O)ccc21,NYLMYBAMVLBYBC-UHFFFAOYSA-N
-rxn:4:213336:227822,COC(=O)c1nc(-c2c(C)cccc2C(C)C)n2c1CCN(C(=O)OC(C)(C)C)CC2,UJQQXLGCCIRQIM-UHFFFAOYSA-N
-rxn:4:213368:224307,CC(C)(C)[Si](C)(C)Oc1cc(F)c(-c2ccccc2CCC(=O)N2C3CCC2CC(n2cccn2)C3)c(F)c1,URXLNYJEHIEHNH-UHFFFAOYSA-N
-rxn:4:213412:224054,CC(C)CS(=O)(=O)C1CCN(C(=O)c2c3ccc(-c4ccc(-c5ccc(OC(C)C)cc5)cc4)cc3nn2C)CC1,OVJXDGUIBWPTSY-UHFFFAOYSA-N
-rxn:4:213488:223590,COC(=O)CCc1nc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2C)n[nH]1,VSQGNCWTJGROMB-UHFFFAOYSA-N
-rxn:4:213692:226860,CC(C(=O)N1CCC(C(F)(F)F)CC1)n1cc(-c2cc(Cl)ccc2OC(F)(F)F)cn1,GOTHCGQBLJGMRT-UHFFFAOYSA-N
-rxn:4:213718:225346,COc1ccc(-c2cnn(CC3CN(CC4COCCO4)C3)c2)cc1S(=O)(=O)N(C)C,LESUPROSBKQDHW-UHFFFAOYSA-N
-rxn:4:213721:225265,CCCCOc1c(F)cc(F)c(-c2ccn(C3CCN(C(=O)OC(C)(C)C)C3)n2)c1F,BYTOAKGWHXPABS-UHFFFAOYSA-N
-rxn:4:213742:223743,Cc1ccc(-c2cnccc2OC2CCN(c3ncccc3C(F)(F)F)C2)cc1OCCCN1CCC(C)CC1,RECVMQHMLHSTMS-UHFFFAOYSA-N
-rxn:4:213800:222546,CC(C)(C)OC(=O)N1CCOCC1c1cc(-c2ccc(OCCNC3CCCCC3)c(F)c2)ncn1,DSTSPICCVLNGRY-UHFFFAOYSA-N
-rxn:4:213828:222841,O=C(NC1CCCC1)c1ccc(-c2ccc(S(=O)(=O)N3CCC(c4nnc(C(F)(F)F)o4)CC3)cc2)cc1,ZZVIFLWCIDYQJN-UHFFFAOYSA-N
-rxn:4:213831:224781,CC(C)CN1CCCC(Cn2cc(-c3ccc(C4CCCO4)c(C(F)(F)F)c3)cn2)C1,DYRDZSWUNYAFIT-UHFFFAOYSA-N
-rxn:4:213833:224718,CC(C)(C)OC(=O)N1CCC(n2ccc(-c3ccc(OCCN4CCOCC4)nc3)n2)CC1,UDLVZGHQFYGSIQ-UHFFFAOYSA-N
-rxn:4:213837:226010,COc1ccc(OC(F)(F)F)cc1-c1ccn(C2CCCN(C(=O)OC(C)(C)C)C2)n1,PVPFFZPTORADPY-UHFFFAOYSA-N
-rxn:4:213839:223098,CC(=O)NS(=O)(=O)c1ccc(-c2nccn2C2CCN(C(=O)OC(C)(C)C)CC2)cc1,QJQIWQXZIUFBQP-UHFFFAOYSA-N
-rxn:4:213880:225978,CC(C)(C)OC(=O)N1CCN(c2cnccc2-c2ccc(N3CCOCC3)nc2F)CC1,XFQFBLANMSIKJT-UHFFFAOYSA-N
-rxn:4:213880:225979,CC(C)(C)OC(=O)N1CCN(c2cnccc2-c2cnc(N3CCOCC3)c(Cl)c2)CC1,SNLOEPBSNDDXHL-UHFFFAOYSA-N
-rxn:4:213880:225982,CC(C)(C)OC(=O)N1CCN(c2cnccc2-c2cnc(N3CCOCC3)cc2F)CC1,RHTVHBYYIUFRMH-UHFFFAOYSA-N
-rxn:4:213881:225553,CC(C)N(C)C(=O)c1ccc(-c2cnc(C3CCN(C(=O)OC(C)(C)C)CC3)cn2)cc1,KCNNREXLIMPYSX-UHFFFAOYSA-N
-rxn:4:213887:223945,CC(C)(C)OC(=O)N1CCC(c2cnc(-c3ccc(OCCCN4CCOCC4)c(F)c3)nc2)CC1,RVMBNPXUNAGBIO-UHFFFAOYSA-N
-rxn:4:213888:223889,CC(C)(C)OC(=O)N1CCc2cccc(-c3cncc(C4CCCN(C(=O)OC(C)(C)C)C4)n3)c2C1,TWTORSYJJLUPRU-UHFFFAOYSA-N
-rxn:4:213888:224834,CN(C)S(=O)(=O)n1cc(-c2cncc(C3CCCN(C(=O)OC(C)(C)C)C3)n2)c(C(F)(F)F)n1,WOZQIZGHTAXZNP-UHFFFAOYSA-N
-rxn:4:213892:225976,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2ccnc(N3CCOCC3)c2F)CC1,GLGYOMDCFHWNFL-UHFFFAOYSA-N
-rxn:4:213892:225982,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2cnc(N3CCOCC3)cc2F)CC1,OIPJWCXCRBTZQM-UHFFFAOYSA-N
-rxn:4:213894:225979,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(N4CCOCC4)c(Cl)c3)cn2)CC1,RXQOOHNYCRJRCG-UHFFFAOYSA-N
-rxn:4:213894:225980,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cc(N4CCOCC4)ncc3F)cn2)CC1,PORIJGQXJRVIFJ-UHFFFAOYSA-N
-rxn:4:213894:225982,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(N4CCOCC4)cc3F)cn2)CC1,RTNRTBPGTNHJCS-UHFFFAOYSA-N
-rxn:4:213897:225978,CC(C)(C)OC(=O)N1CCN(c2ccncc2-c2ccc(N3CCOCC3)nc2F)CC1,WANRORLBLDDRLV-UHFFFAOYSA-N
-rxn:4:213897:225980,CC(C)(C)OC(=O)N1CCN(c2ccncc2-c2cc(N3CCOCC3)ncc2F)CC1,DPCHFJNDWHFYFM-UHFFFAOYSA-N
-rxn:4:213902:223167,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3ccnc(N4CCNCC4)c3)cc2F)CC1,LFNKZXZTNMNBAM-UHFFFAOYSA-N
-rxn:4:213932:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cnc(N4CCOC(C(=O)N5CCCC5)C4)c(C(F)(F)F)c3)c2Cl)CC1,FVUGHLXONDFMEL-UHFFFAOYSA-N
-rxn:4:213950:222932,COCCNS(=O)(=O)c1ccc(-c2cnc(OC3CCN(S(=O)(=O)C4CCCCC4)C3)nc2)cc1,IUZVPGWRBAMLNM-UHFFFAOYSA-N
-rxn:4:213971:225518,CCCCCOc1ncc(C)cc1-c1cc(C(F)(F)F)cnc1N1CCOC(C(=O)N2CCOCC2)C1,UBFRCEIERJPZCU-UHFFFAOYSA-N
-rxn:4:213974:222798,Cc1cc(S(=O)(=O)NC(C)(C)C)ccc1-c1cccc(N2CCCN(C(=O)OC(C)(C)C)CC2)n1,WSUMYHAOAYZCRA-UHFFFAOYSA-N
-rxn:4:213977:224827,COC(=O)c1ccc(OC(F)(F)F)cc1-c1cccc(N2CCN(C(=O)OC(C)(C)C)CC2C)n1,SRFKBAJWHFMWQL-UHFFFAOYSA-N
-rxn:4:214008:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2nc(C(=O)N3CCN(c4ccc(F)cc4)CC3)c(C(C)C)s2)cc1,OVKZXIVHDGNJGO-UHFFFAOYSA-N
-rxn:4:214015:222827,N#CC1CCN(Cc2ccc(-c3cc(F)c(S(=O)(=O)NC4CC4)cc3F)cc2N2CCOCC2)CC1,XHIGXFIOVGPENA-UHFFFAOYSA-N
-rxn:4:214028:223101,CNS(=O)(=O)c1cc(-c2cc(C(F)(F)F)cnc2N2CCOC(C(=O)N3CCCCC3)C2)ccc1OC,DYEZYLSWASLNRF-UHFFFAOYSA-N
-rxn:4:214033:224574,Cc1cnn(-c2ccc(C3CC3)c(-c3cc(C4=N[C@@H](C(C)C)CO4)nc(C4=N[C@@H](C(C)C)CO4)c3)c2)c1,OQGOZXVNNREORI-VSGBNLITSA-N
-rxn:4:214051:225029,CC(C)c1sc(-c2cc(Oc3ccccc3)ccc2F)nc1C(=O)N1CCN(C2CCS(=O)(=O)C2)CC1,JJXMQOUCERTBNO-UHFFFAOYSA-N
-rxn:4:214095:223748,CCOC(=O)c1nc2c(-c3cc(N4CCCCC4)cc(N4CCCCC4)c3)cc(C(F)(F)F)cn2n1,GRXQTNWNVRYSGM-UHFFFAOYSA-N
-rxn:4:214302:223660,COc1ccc2cc(C3CC(c4ccc(-c5ccc(CN6CCN(C(=O)OC(C)(C)C)CC6)s5)cc4)=NN3S(C)(=O)=O)c(Cl)nc2c1,HNZZDYKNZYRIGQ-UHFFFAOYSA-N
-rxn:4:214337:226652,Cc1cc(-c2cccc(CN3CCC(N(C)C4=NS(=O)(=O)c5ccccc54)CC3)c2)n(C2CCCCO2)n1,ZAEUIQJVPDVAPV-UHFFFAOYSA-N
-rxn:4:214360:225266,CCCOc1ccc(C(F)(F)F)cc1-c1ccc2c(c1)sc(=NC(=O)c1ccc(S(=O)(=O)N3CC(C)CC(C)C3)cc1)n2C,OQCKGXODXQGLQB-UHFFFAOYSA-N
-rxn:4:214653:224325,COC1CCN(c2ncc(-c3ccc(C4=CCN(S(C)(=O)=O)CC4)cc3)cc2[N+](=O)[O-])CC1,YOYNBFFEYAXJPX-UHFFFAOYSA-N
-rxn:4:214654:224325,CN1CCC(Oc2ncc([N+](=O)[O-])cc2-c2ccc(C3=CCN(S(C)(=O)=O)CC3)cc2)CC1,CWZWOLMAGDYPEF-UHFFFAOYSA-N
-rxn:4:214663:224718,Cn1ncc(-c2ccc(OCCN3CCOCC3)nc2)c1C(=O)N1CCCC(C(F)(F)F)C1,UZLAMJIUMACXST-UHFFFAOYSA-N
-rxn:4:214668:222466,CCN1CCN(C(=O)c2ccc(-c3cc(C4CCCCC4)nc(C4CCNCC4)c3)nc2)CC1,OOSIVGVFZFCIEL-UHFFFAOYSA-N
-rxn:4:214679:224575,CC1CCN(c2ccc(-c3cn(C)nc3CN3CCC(C(F)(F)F)CC3)c(C#N)c2)CC1,ISGHHYNSBGUGPD-UHFFFAOYSA-N
-rxn:4:214709:224325,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc(C4=CCN(S(C)(=O)=O)CC4)cc3)cn2)CC1,ANXKCJGQWASJLN-UHFFFAOYSA-N
-rxn:4:214787:222604,COc1ccc(-c2ccc(S(=O)(=O)N3CCN(c4ccccn4)C(=O)C3)cc2)cc1S(=O)(=O)NC1CCCC1,RPHNTBDOKVZMCS-UHFFFAOYSA-N
-rxn:4:214829:226352,Cc1cc(-c2cccnc2N2CCOC(C(=O)N3CCSCC3)C2)c(Cl)cc1OC(C)C,TVJFCZPVIVORNE-UHFFFAOYSA-N
-rxn:4:214835:228467,COC(=O)c1cc(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCOCC3)C2)c(F)s1,QVRKHDLYCYQOJL-UHFFFAOYSA-N
-rxn:4:214837:223687,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3cnc(N4CCOC(C(=O)N5CCSCC5)C4)c(Cl)c3)cn2)CC1,JRGSRQLNQFZLKI-UHFFFAOYSA-N
-rxn:4:214838:223150,CN(C)CCNc1cc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)c(F)c2)ccn1,VYTKGNCKXCRRSP-UHFFFAOYSA-N
-rxn:4:214839:227213,CCCCSc1cncc(-c2cnc(N3CCOC(C(=O)N4CCSCC4)C3)c(F)c2)c1,JPBPXXKWKNNXKP-UHFFFAOYSA-N
-rxn:4:214862:223069,CCCS(=O)(=O)Nc1cccc(-c2cncc(C(=O)N3CCCN(C4CCSC4)CC3)c2)c1,SNXQIAAFCHFHAZ-UHFFFAOYSA-N
-rxn:4:214867:226249,CCCCOc1cc(Cl)cc(-c2cnc(N3CCOC(C(=O)N4CCCC4)C3)c(C)c2)c1,FMXSQOVKGJRMTN-UHFFFAOYSA-N
-rxn:4:214873:223242,O=C(C1CCCN(c2ncc(-c3ccnc(C4CCNC4)c3)cc2F)C1)N1CCOCC1,DCAWSTUPLBLJQI-UHFFFAOYSA-N
-rxn:4:214873:225518,CCCCCOc1ncc(C)cc1-c1cnc(N2CCCC(C(=O)N3CCOCC3)C2)c(F)c1,XLMSCODEOFGKCP-UHFFFAOYSA-N
-rxn:4:214884:223036,CC(C)(C)C(=O)Nc1ccc(-c2cc(Cl)cnc2N2CCC(C(=O)N3CCC(F)(F)CC3)CC2)cn1,YZQPAPYIRUNCLX-UHFFFAOYSA-N
-rxn:4:214890:224257,CC1CCCCN1C(=O)c1ccc(Cl)c(-c2cncc(C(=O)N3CCCN(C4CCSCC4)CC3)c2)c1,IWAYWQWNAMPSMS-UHFFFAOYSA-N
-rxn:4:214989:223534,CCOC(=O)c1nc2cnc(C)cn2c1-c1cc(OC2CCN(C(=O)OC(C)(C)C)CC2)ncc1F,KTPYMNCGTLEBKM-UHFFFAOYSA-N
-rxn:4:215028:224082,CCC(C(=O)OC(C)(C)C)c1cccc(-c2ncc3n2CCN(C(=O)OC(C)C)C3)c1,AMHXQCWCEHTOQC-UHFFFAOYSA-N
-rxn:4:215098:224764,Cn1nc(-c2ccc(C(=O)N3CCOCC3)cc2F)c2c1CCN(C(=O)OC(C)(C)C)C2,QHWQDEXKMYKPIK-UHFFFAOYSA-N
-rxn:4:215098:225170,Cn1nc(-c2cc(F)ccc2CN2CCOCC2)c2c1CCN(C(=O)OC(C)(C)C)C2,OUBQRMQURNUCHL-UHFFFAOYSA-N
-rxn:4:215153:222604,COc1ccc(-c2ccc(CN3CCC4CN(c5ccccn5)CC43)o2)cc1S(=O)(=O)NC1CCCC1,FUHZOJZKQONOBV-UHFFFAOYSA-N
-rxn:4:215155:223830,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(C(=O)N4CCC(c5nc6ccccc6[nH]5)CC4)o3)ccc2C)CC1,ZGZJSFZMKJXZSR-UHFFFAOYSA-N
-rxn:4:215216:222935,CN(C)S(=O)(=O)NCc1ccc(-c2ccc3nc(N4CCCC(C(=O)N5CCOCC5)C4)sc3c2)cc1,FRLPGOQDJOHSFJ-UHFFFAOYSA-N
-rxn:4:215232:226643,O=C(C1CCCN(c2ccc3ccc(-c4ccc(N5CCOCC5)nc4)cc3n2)C1)N1CCOCC1,NAXPORFFMHXWEP-UHFFFAOYSA-N
-rxn:4:215285:225293,COc1ccc(N2C(=O)C3C(C2=O)N2CCCN2C3c2ccc(-c3ccc(C(F)(F)F)c(OC(C)C)c3)cc2)cc1,WDZCFNNIXXWTEB-UHFFFAOYSA-N
-rxn:4:215304:223737,Cc1ccc(C2=NN3C(C2)c2cc(-c4ccc(C(c5ccccc5)N5CCCC5)cc4)ccc2OC32CCN(Cc3ccccc3)CC2)cc1,RLZMYQIMQNHSQS-UHFFFAOYSA-N
-rxn:4:215556:223492,Cc1cc(-c2nncn2-c2ccc(C(F)(F)F)cc2)ccc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,XCPBFZUYBAERMI-UHFFFAOYSA-N
-rxn:4:215772:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cncc(N4CCC(C#N)CC4)c3)ccn2)CC1,GCBCOLZCCFXJDL-UHFFFAOYSA-N
-rxn:4:215798:223982,C=C1CCN(c2ncc(-c3ccc(N4CCN(S(=O)(=O)CC)CC4)cc3)cc2C#N)CC1,MRYQLOMXEXFEPZ-UHFFFAOYSA-N
-rxn:4:215880:223660,CCN1CCN(c2ccc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)s3)cn2)CC1,JBWGYFQQDWGLGD-UHFFFAOYSA-N
-rxn:4:215906:224321,CC1CCN(S(=O)(=O)c2cccc(-c3cncc(S(=O)(=O)N4CCN(C)CC4)c3)c2)CC1,LHBPBSBWLMUDOZ-UHFFFAOYSA-N
-rxn:4:215908:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3cncc(N4CCN(S(C)(=O)=O)CC4)c3)cc2)CC1,APUXEFARFXAQTB-UHFFFAOYSA-N
-rxn:4:215935:225361,Cc1nn(S(=O)(=O)N2CCCCC2)c(C)c1-c1cn(C2CCCC2)nc1C(F)(F)F,YDFQYFNJMFNIAC-UHFFFAOYSA-N
-rxn:4:215936:223993,CSc1ncc(-c2ccc(S(=O)(=O)N3CCN(C)CC3)c(C)c2)c(N2CC(C)OC(C)C2)n1,YAYCIZBTHXUGCH-UHFFFAOYSA-N
-rxn:4:215940:223993,Cc1cc(-c2ccc(N3CCC(N(C)C)CC3)cn2)ccc1S(=O)(=O)N1CCN(C)CC1,JSEHAKYVOJOYKT-UHFFFAOYSA-N
-rxn:4:215940:223997,Cc1cc(-c2ccc(N3CCC(N(C)C)CC3)cn2)cc(C)c1S(=O)(=O)N1CCOCC1,YWYQPFGAVLEKPZ-UHFFFAOYSA-N
-rxn:4:215941:223993,Cc1cc(-c2ccncc2N2CCC(N(C)C)CC2)ccc1S(=O)(=O)N1CCN(C)CC1,FNPIWSFMCUAEFP-UHFFFAOYSA-N
-rxn:4:215941:223997,Cc1cc(-c2ccncc2N2CCC(N(C)C)CC2)cc(C)c1S(=O)(=O)N1CCOCC1,PCCKRIUQSHVRPB-UHFFFAOYSA-N
-rxn:4:215942:223993,Cc1cc(-c2ncccc2N2CCC(N(C)C)CC2)ccc1S(=O)(=O)N1CCN(C)CC1,ZCHFRAZBMHZBGQ-UHFFFAOYSA-N
-rxn:4:215943:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3ccnc(N4CCC(N(C)C)CC4)c3)c2)CC1,JCEZOCBCRZQABD-UHFFFAOYSA-N
-rxn:4:215943:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3ccnc(N4CCC(N(C)C)CC4)c3)cc2)CC1,CYRXHMURHFWOAN-UHFFFAOYSA-N
-rxn:4:215943:223993,Cc1cc(-c2ccnc(N3CCC(N(C)C)CC3)c2)ccc1S(=O)(=O)N1CCN(C)CC1,GSDUQFABMRCWHA-UHFFFAOYSA-N
-rxn:4:215943:223994,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1ccnc(N2CCC(N(C)C)CC2)c1,VAMAVIWMAKTDAO-UHFFFAOYSA-N
-rxn:4:215944:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3cccc(N4CCC(N(C)C)CC4)n3)cc2)CC1,IMVNDWIIQLFZCA-UHFFFAOYSA-N
-rxn:4:215945:223997,Cc1cc(-c2cc(N3CCC(N(C)C)CC3)ccn2)cc(C)c1S(=O)(=O)N1CCOCC1,MBYJYWGZDKMWEX-UHFFFAOYSA-N
-rxn:4:215953:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3ccc(N4CCC(N(C)C)CC4)nc3)cc2)CC1,WLGUKTUUMZCJJB-UHFFFAOYSA-N
-rxn:4:215956:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3cncc(N4CCC(N(C)C)CC4)c3)c2)CC1,IDGLQJXUCQQDJU-UHFFFAOYSA-N
-rxn:4:215956:223997,Cc1cc(-c2cncc(N3CCC(N(C)C)CC3)c2)cc(C)c1S(=O)(=O)N1CCOCC1,MMHTZGKVYDVKMW-UHFFFAOYSA-N
-rxn:4:215957:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3cccnc3N3CCC(N(C)C)CC3)c2)CC1,OUMSWOZPBJGDAL-UHFFFAOYSA-N
-rxn:4:215990:223069,CCCS(=O)(=O)Nc1cccc(-c2ccc(N3CCN(C4CCN(C)CC4)CC3)cc2)c1,NHZPDEOLGWEOKM-UHFFFAOYSA-N
-rxn:4:216084:223534,COC(=O)c1cc(C)n2nc(-c3cc(OC4CCN(C(=O)OC(C)(C)C)CC4)ncc3F)cc2n1,HKPKZGLJILZGGY-UHFFFAOYSA-N
-rxn:4:216216:223557,CC(=O)N1C2CCC1CC(n1cc(-c3c(F)ccc4c3ccn4[Si](C(C)C)(C(C)C)C(C)C)cn1)C2,KAQXMSCLKYHKQF-UHFFFAOYSA-N
-rxn:4:217839:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3ccc4[nH]nc(N5CCOCC5)c4c3)c2Cl)CC1,RRCSEBCLTLUAEJ-UHFFFAOYSA-N
-rxn:4:218454:223480,Cc1cc(-c2nnc3n2CCOCC3)cc(C)c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,ZJSKWVWJRGHHHI-UHFFFAOYSA-N
-rxn:4:218583:222771,N#Cc1ccc(CN2CCC(COc3ncc(-c4ccc(F)c(C(=O)NC5CCCC5)c4)cn3)CC2)cc1,UHBASGGBACMDFG-UHFFFAOYSA-N
-rxn:4:218600:224759,CC(C)(C)OC(=O)N1CCN(CCn2cc(-c3cc(F)cc(C(=O)N4CCOCC4)c3)cn2)CC1,FBRLAULQJDFHST-UHFFFAOYSA-N
-rxn:4:218631:224589,CC1CCN(Cc2cc(F)ccc2-c2cnc(OCC3CCN(C4CCN(CC(F)(F)F)C4=O)CC3)nc2)CC1,PZBYROCUEPEVNT-UHFFFAOYSA-N
-rxn:4:218643:223933,CC(C)(C)OC(=O)n1c(-c2cncc(C(=O)N3CCC(COc4ccc(C5CC5)nn4)CC3)c2)cc2cc(F)ccc21,HRMWUPZDGOQXCF-UHFFFAOYSA-N
-rxn:4:218653:222967,COc1ccc(N2CC(C(=O)N3CC(Cn4cc(-c5cccc(C(=O)NCC(C)C)c5)cn4)C3)CC2=O)cc1,IEVWQIJIKSDWKX-UHFFFAOYSA-N
-rxn:4:218664:225875,CN(C)c1ccc(C(=O)N2CCCC(COc3ncc(-c4ccc(N5CCOCC5)cc4Cl)cn3)C2)cc1,QQLBUFOFYMGZSS-UHFFFAOYSA-N
-rxn:4:218682:225877,CC(=O)N1CCC(C(=O)N2CCCC(COc3ncc(-c4ccc(Cl)cc4N4CCOCC4)cn3)C2)CC1,APTPCLDFRXHQCU-UHFFFAOYSA-N
-rxn:4:218689:224254,COc1ccc(-c2cc(N3CCN(C(=O)Cc4ccccc4-c4ccc(F)c(C(=O)N5CCCC(C)C5)c4)CC3)[nH]n2)cc1,NEAWNQFBNQSGBT-UHFFFAOYSA-N
-rxn:4:218690:223812,COc1ccc(-c2cc(N3CCN(C(=O)Cc4ccc(-c5cc(F)cc(CN6CCC7(CC6)OCCO7)c5)cc4)CC3)[nH]n2)cc1,AYNHHNNEESDERB-UHFFFAOYSA-N
-rxn:4:218711:223774,COc1cccc2c1cc(-c1cc([N+](=O)[O-])ccc1N1CCC(N3CCN(C(=O)OC(C)(C)C)CC3)CC1)n2C(=O)OC(C)(C)C,CTWFSWILNKLBMM-UHFFFAOYSA-N
-rxn:4:218772:224953,O=C(CN1CCN(C(=O)Cn2ccc3cc(-c4ccc(OCC5CCCCC5)nc4)ccc32)CC1)N1CCOCC1,SDYADUJFYMWJBV-UHFFFAOYSA-N
-rxn:4:218831:222634,O=C(c1cscn1)N1CCC(COc2ncc(-c3ccc(OCCNC4CCCC4)c(F)c3)cn2)CC1,DCQNEYFNVXLHDY-UHFFFAOYSA-N
-rxn:4:218867:226371,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3cnc(N4CCCC4)cc3C)c2)no1,FINJOZBHIOYGGZ-UHFFFAOYSA-N
-rxn:4:218867:226665,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3cnc(C4CCCOC4)nc3)c2)no1,BVDIMGWNTYVCNL-UHFFFAOYSA-N
-rxn:4:218885:222772,Cc1ncsc1C(=O)N1CCC(COc2ncc(-c3ccc(Cl)c(C(=O)NC4CCCC4)c3)cn2)CC1,ZEVABAGWSDRUEK-UHFFFAOYSA-N
-rxn:4:218889:224759,Cc1cc(C(=O)N2CCCC(COc3ncc(-c4cc(F)cc(C(=O)N5CCOCC5)c4)cn3)C2)no1,YLGOSHPPTAVOOS-UHFFFAOYSA-N
-rxn:4:218914:224250,Cc1nc(CN2CCC(COc3ncc(-c4cc(C(=O)N5CCCCC5C)ccc4F)cn3)CC2)cs1,LMCXBFLEDKLQKK-UHFFFAOYSA-N
-rxn:4:218920:222546,COc1cnc(OC2CCN(C(=O)c3cncc(-c4ccc(OCCNC5CCCCC5)c(F)c4)c3)CC2)nc1,XLYVFMGAGIKTAM-UHFFFAOYSA-N
-rxn:4:218945:225378,CN(C)S(=O)(=O)c1cc(F)c(F)cc1-c1cncc([N+](=O)[O-])c1N1CCN(C(=O)OC(C)(C)C)CC1,GWPZPEDRTMWICC-UHFFFAOYSA-N
-rxn:4:218965:224400,Cn1ncc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1-c1ccc(N2CCOCC2)c(C(F)(F)F)c1,KFUBJZDLIHHXMZ-UHFFFAOYSA-N
-rxn:4:219029:222675,COc1cc(-c2c(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3C)cnn2C)ccc1NC(=O)OC(C)(C)C,GVQZNOSRMCPIPJ-UHFFFAOYSA-N
-rxn:4:219046:226259,CCCCOc1ccc(-c2cnc(OCC3CCCN(C4CCN(C5CC5)C4=O)C3)nc2)cc1Cl,OCVBNTLCHSCQAU-UHFFFAOYSA-N
-rxn:4:219048:223699,O=S(=O)(c1ccc(-c2ccc(S(=O)(=O)N3CCC(N(c4ccncn4)C4CC4)CC3)cc2)c(C(F)(F)F)c1)N1CCOCC1,IBNVUMUMFDGJSY-UHFFFAOYSA-N
-rxn:4:219053:223006,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cncc(-c4ccc(F)c(C5CCNCC5)c4)c3)cn2)CC1,MVBOAAWEHRYOEC-UHFFFAOYSA-N
-rxn:4:219053:225975,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cncc(-c4ccnc(N5CCOCC5)c4Cl)c3)cn2)CC1,CWWZMPGEEQOJIH-UHFFFAOYSA-N
-rxn:4:219058:222396,O=C(NC1CCC(O)CC1)c1ccc(-c2ccccc2CC(=O)N2CCN(c3cc(-c4ccc(F)cc4)n[nH]3)CC2)cc1,PPRKRSJHDNGQDI-UHFFFAOYSA-N
-rxn:4:219107:223884,CCC(=O)C1=C(c2ccc(-c3ccc4c(c3)CCN(C(=O)OC(C)(C)C)C4)cc2)N(C(=O)CC)n2c(C)nnc2S1,XMHHNKMKIPRPTQ-UHFFFAOYSA-N
-rxn:4:219125:224882,O=C(CCc1ccccc1-c1ccc(CN2CCCCCC2)cc1)N1C2CCC1CC(n1nccn1)C2,YQNMKRZBNTZYOH-UHFFFAOYSA-N
-rxn:4:219128:224196,CCN1CCN(Cc2cc(F)cc(-c3cnc(OCC4CCN(Cc5nc6c(s5)CCC6)CC4)nc3)c2)CC1,LFGIDJLBMWDPFZ-UHFFFAOYSA-N
-rxn:4:219155:225711,COC(COc1ccc(-c2cncc(C(=O)N3CC4CCCC4(COc4ncc(C)cn4)C3)c2)cc1)OC,JJRQZTHBTILPID-UHFFFAOYSA-N
-rxn:4:219156:222583,CCOc1ccc(N2CCn3c2nn(Cc2ccc(-c4ccc(C(=O)NCCN5CCOCC5)cc4)cc2)c(=O)c3=O)cc1,OQIOHEOKNPSRLA-UHFFFAOYSA-N
-rxn:4:219182:224162,COc1ccc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CC3)c(C(=O)N2CCN(C(=O)c3cc4n(n3)CCCC4)CC2)c1,SIDZOADTJPPEHR-UHFFFAOYSA-N
-rxn:4:219182:224725,CCN(CC)S(=O)(=O)c1cc(-c2ccc(OC)cc2C(=O)N2CCN(C(=O)c3cc4n(n3)CCCC4)CC2)ccc1C,VWUISABDXVTIEO-UHFFFAOYSA-N
-rxn:4:219184:225977,CCCN1CCN(C(=O)c2cc3n(n2)CC(c2ccc(-c4cc(Cl)cnc4N4CCOCC4)cc2)OC3)CC1,SRBJJKJKTNVOGQ-UHFFFAOYSA-N
-rxn:4:219188:223562,CC(C)(C)OC(=O)N1CCC(Cc2ccc(-c3c(-c4ccccc4)nn4cc(CCN5CCOCC5)c(-c5ccc(F)cc5)nc34)cc2)CC1,SXOGXXIBWMXGGG-UHFFFAOYSA-N
-rxn:4:219370:223816,CC(C)(C)OC(=O)N1CCCC(n2ncc(-c3cc4c(Cl)ccnc4n3COCC[Si](C)(C)C)n2)C1,YDZHRNBBGFMHHO-UHFFFAOYSA-N
-rxn:4:219371:223928,CC(C)(C)OC(=O)N1CCC(n2cnnc2-c2cnc3c(c2)CN(C(=O)OC(C)(C)C)CC3)CC1,HJHQPGAELQYHSS-UHFFFAOYSA-N
-rxn:4:219384:223638,CC(C)(C)OC(=O)N1CCCC(c2cccc(-c3cnc(N4CCC(COc5ccncc5Cl)CC4)nc3)c2)C1,ASLKQPDLGRHLET-UHFFFAOYSA-N
-rxn:4:219389:224407,O=S(=O)(c1cccnc1)N1CCCC(Oc2ncc(-c3cccc(S(=O)(=O)N4CCC(F)(F)C4)c3)cn2)C1,FUYDSPNZXPKIIV-UHFFFAOYSA-N
-rxn:4:219402:225800,CC(C)(C)OC(=O)N1CCN(c2cnc(-c3ccc(C(=O)N4CCSC4)cc3)cn2)CC1,PVAZSUGKNBDGPR-UHFFFAOYSA-N
-rxn:4:219407:223502,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3cnc(N4CCN(C(=O)OC(C)(C)C)CC4)nc3)cc2F)CC1,GWEKCNVKIBIUEP-UHFFFAOYSA-N
-rxn:4:219471:223602,CSc1ncc(-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2Cl)c(N2CCOC(C(=O)N3CCCC3)C2)n1,BEBZNQBFENVCQZ-UHFFFAOYSA-N
-rxn:4:219498:226236,CCCCOc1ncc(C)cc1-c1cnc(N2CCOC(C(=O)N3CCOCC3)C2)nc1OC,ZKGZYLJTNOENEI-UHFFFAOYSA-N
-rxn:4:219501:227249,CCCOc1ccc(Cl)c(-c2cnc(SC)nc2N2CCOC(C(=O)N3CCOCC3)C2)c1,IXVWWDPUOREITA-UHFFFAOYSA-N
-rxn:4:219506:225464,CC1CCCN(c2cccc(-c3ccc(S(=O)(=O)N4CCCN(S(=O)(=O)c5c[nH]cn5)CC4)cc3)c2)C1,IXIQSPWFJIOEOX-UHFFFAOYSA-N
-rxn:4:219506:225466,CC1CCCCN1c1ccc(-c2ccc(S(=O)(=O)N3CCCN(S(=O)(=O)c4c[nH]cn4)CC3)cc2)cc1,NQBWCRKOHURESM-UHFFFAOYSA-N
-rxn:4:219506:225632,CN1CCN(c2cccc(-c3ccc(S(=O)(=O)N4CCCN(S(=O)(=O)c5c[nH]cn5)CC4)cc3)c2)CC1,FSAGTOPFMLYDMV-UHFFFAOYSA-N
-rxn:4:219517:224373,COc1ccc(-c2cnc(OCC3CCCN(C4CCN(C)C4=O)C3)nc2)cc1S(=O)(=O)N1CCCC1,VHSBBCMVQNCVEV-UHFFFAOYSA-N
-rxn:4:219521:224608,COC(=O)c1cc(OCC2CC2)cc(-c2ccc(C(=O)N3CCC(c4nn(C)c(=O)n4C4CC4)CC3)o2)c1,DJUYYHAKKMMSPN-UHFFFAOYSA-N
-rxn:4:219533:227480,CCCOc1nccc(-c2cnc(SC)nc2N2CCCC(C(=O)N3CCOCC3)C2)c1Cl,PDJGAOXWMCAASA-UHFFFAOYSA-N
-rxn:4:219538:226479,CCCCOc1nccc(-c2cnc(N3CCC(C(=O)N4CCC(F)(F)CC4)CC3)c(C#N)c2)c1Cl,GTNJPELMGPQIMK-UHFFFAOYSA-N
-rxn:4:219549:223941,CC(C)(C)OC(=O)N1C(=O)Cc2cc(-c3cccc(C(=O)N4CCN(c5cc(-c6ccc(F)cc6)n[nH]5)CC4)c3)ccc21,LSKDVLOKIRBBPX-UHFFFAOYSA-N
-rxn:4:219651:223041,COc1ccc(-c2cc(C(=O)NC3CC3)ccc2F)c(CN2N=NC3C(=O)N(c4ccc(F)cc4)C(=O)C32)c1,WFBXREIXVQSAMP-UHFFFAOYSA-N
-rxn:4:219653:225187,CC(C)(C)OC(=O)N1CCN(c2nc3ccc(-c4cc(Cl)ccc4CN4CCOCC4)nc3s2)CC1,TZLSIKJYGXIILP-UHFFFAOYSA-N
-rxn:4:219654:225232,CC1CCN(c2cc(-c3cc4c(N5CCN(C(=O)OC(C)(C)C)CC5)ncnc4s3)cnc2Cl)CC1,FLEHEDQMKHBXHS-UHFFFAOYSA-N
-rxn:4:219665:224667,CN1CCN(Cc2cc(-c3ccccc3C(=O)N3CCN(S(=O)(=O)c4cccc5nonc45)CC3)ccc2Cl)CC1,GYSZADUPJBGIGP-UHFFFAOYSA-N
-rxn:4:219688:225979,CC(C)(C)OC(=O)N1CCC(c2nc3ccc(-c4cnc(N5CCOCC5)c(Cl)c4)cn3n2)CC1,UVZHUOUBPPJIAM-UHFFFAOYSA-N
-rxn:4:219692:224811,CC(C)(C)OC(=O)N1CCC(n2cc(-c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)c3cnc(Cl)nc32)CC1,NPQYDGJNMOTEKO-UHFFFAOYSA-N
-rxn:4:219697:224244,CC1CCN(C(=O)c2cc(-c3ccc(CC(=O)N4Cc5cnc(N6CCOCC6)nc5C4)cc3)ccc2Cl)CC1,FFENVCUTIGQVEV-UHFFFAOYSA-N
-rxn:4:219742:222748,O=C(NCC1CCCO1)c1cccc(-c2cncc(C(=O)N3CCC(Cn4nc5c(cc4=O)CCC5)CC3)c2)c1,RWEKZNWAAAUAKU-UHFFFAOYSA-N
-rxn:4:219853:224198,CCN1CCN(Cc2ccc(-c3cnc(N4CCN(C(C)=O)CC4)c(C#N)c3)c(F)c2)CC1,FXLNYVXWXVEYJD-UHFFFAOYSA-N
-rxn:4:219904:224425,CCCC1CCC(c2ccccc2-c2cnc(C3CCN(S(=O)(=O)N(C)C)CC3)cn2)CC1,PQPHDYXRUYZEDM-UHFFFAOYSA-N
-rxn:4:219904:224846,CCC1CCC(c2ccc(-c3cnc(C4CCN(S(=O)(=O)N(C)C)CC4)cn3)cc2)CC1,VCBRGLGYQGJNOX-UHFFFAOYSA-N
-rxn:4:219937:223831,COc1ccc(-c2cccc(C3CN(S(=O)(=O)c4cn(C)cn4)CCO3)n2)cc1S(=O)(=O)N1CCC(C)CC1,NCLJRXBSZIUENL-UHFFFAOYSA-N
-rxn:4:219959:226250,CCCCOc1ccc(Cl)c(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)nc2)c1,WEXBNLIWVCAUDC-UHFFFAOYSA-N
-rxn:4:219959:226252,CCCCOc1cc(Cl)ccc1-c1cnc(N2CCOC(C(=O)N3CCOCC3)C2)nc1,HMWPTZUFOZZQLP-UHFFFAOYSA-N
-rxn:4:219959:226255,CCCCOc1ccc(Cl)cc1-c1cnc(N2CCOC(C(=O)N3CCOCC3)C2)nc1,RNXBXDRKSJFLCN-UHFFFAOYSA-N
-rxn:4:219959:226257,CCCCOc1ccc(F)cc1-c1cnc(N2CCOC(C(=O)N3CCOCC3)C2)nc1,RVOSNVJZQMEZEQ-UHFFFAOYSA-N
-rxn:4:219975:226249,CCCCOc1cc(Cl)cc(-c2cnc(N3CCOC(C(=O)N4CCCCC4)C3)nc2)c1,VJESHQYPHLQIJK-UHFFFAOYSA-N
-rxn:4:219975:226250,CCCCOc1ccc(Cl)c(-c2cnc(N3CCOC(C(=O)N4CCCCC4)C3)nc2)c1,YVDLKAZYZFZDGF-UHFFFAOYSA-N
-rxn:4:219988:225383,O=C(C1CCCN(c2ncc(-c3c(C(F)(F)F)cccc3C(F)(F)F)cn2)C1)N1CCOCC1,STICLUVDFZLLPH-UHFFFAOYSA-N
-rxn:4:219988:226249,CCCCOc1cc(Cl)cc(-c2cnc(N3CCCC(C(=O)N4CCOCC4)C3)nc2)c1,FUHLYBFGJAIJGV-UHFFFAOYSA-N
-rxn:4:220041:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2nnn3c2CN(C(=O)OC(C)(C)C)CC3)cc1,ZUCVNMHPWHIDRP-UHFFFAOYSA-N
-rxn:4:220049:223669,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cn(CCN4CCOCC4)c4ncnc(Cl)c34)cn2)CC1,FPYGECUYIAMZLU-UHFFFAOYSA-N
-rxn:4:220118:223637,CC(C)(C)OC(=O)N1CCCC(c2ccccc2-c2ccc3nc(OC4CCN(c5ncc(F)cn5)CC4)sc3c2)C1,XUHYJXQOVMILQN-UHFFFAOYSA-N
-rxn:4:220137:223493,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccc2nc(N3CCN(S(=O)(=O)C4CC4)CC3)ncc2c1,MEVRFEQNAQRDMG-UHFFFAOYSA-N
-rxn:4:220404:223945,CN1CCN(C(=O)c2cnn(C)c2-c2ccc(OCCCN3CCOCC3)c(F)c2)CC1,DXETWGVWZZCROL-UHFFFAOYSA-N
-rxn:4:220430:222742,c1nc(N2CCCN(C3CCSC3)CC2)ncc1-c1cc(C2CCNCC2)nc(C2CC2)c1,SMLVXLRADGXZTO-UHFFFAOYSA-N
-rxn:4:220492:223502,CC=CCn1c(-c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c(F)c2)nc2c1c(=O)n(C)c(=O)n2C,GTCUNTCVSZVDGJ-UHFFFAOYSA-N
-rxn:4:220544:224175,COc1ccc(C(=O)OCC(C)(C)C)c(-c2ccc(N3N=NC4C(=O)N(c5ccc(C)c(F)c5)C(=O)C43)cc2C)c1,QQZNBRPONWSOTR-UHFFFAOYSA-N
-rxn:4:221127:222729,CCCc1cc(-c2ccc(S(=O)(=O)c3nnn4c3nc(N3CCC(C(=O)OCC)CC3)c3sccc34)cc2)cc(C2CCCNC2)n1,MXTFGWPXEDNOGO-UHFFFAOYSA-N
-rxn:4:221154:222723,N#Cc1ncccc1N1CCCC(COc2ncc(-c3cccc(NS(=O)(=O)N4CCOCC4)c3)cn2)C1,VLMQUKISGQWIRI-UHFFFAOYSA-N
-rxn:4:221182:224284,COCCN1C(=O)CN(C2CCN(c3ncc(-c4cnc(OCc5ccc(OC)cc5)nc4)cn3)CC2)C1=O,AOBGYHWJUNKYSP-UHFFFAOYSA-N
-rxn:4:221205:223481,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3ccc(CCN4CCN(c5ccnc(N6CCOCC6)n5)CC4)cc3)c(F)c2)CC1,SUSDHORYEPGPRV-UHFFFAOYSA-N
-rxn:4:221208:223608,Cc1cc(N2CCN(CCc3ccc(-c4ccc(OC(F)(F)F)c(S(=O)(=O)N5CCOCC5)c4)cc3)CC2)nc(N2CCOCC2)n1,IFFCKNQTCLIWFH-UHFFFAOYSA-N
-rxn:4:221227:223812,O=C(c1ccc2nccnc2c1)N1CCCC(COc2ncc(-c3cc(F)cc(CN4CCC5(CC4)OCCO5)c3)cn2)C1,UGCHBYFKWOJCDS-UHFFFAOYSA-N
-rxn:4:221249:223085,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc4c(-c5cnc(Cl)c(N6CCC(O)C6)c5)cnn4c3)cc2)CC1,YJACBPMWLYRUCW-UHFFFAOYSA-N
-rxn:4:221249:226583,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc4c(-c5ccc(CN6CCOCC6)s5)cnn4c3)cc2)CC1,FJCNOHYAVIEBJD-UHFFFAOYSA-N
-rxn:4:221253:224156,Cn1c(=O)c([N+](=O)[O-])c(N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c2nc(-c3cc4ccccc4n3C(=O)OC(C)(C)C)ccc21,NQGZKCWPIBCFRY-UHFFFAOYSA-N
-rxn:4:221269:225977,CCOC(=O)Cn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3cc(Cl)cnc3N3CCOCC3)cc2)n(C)c1=O,GTPPSBOXFRFWEW-UHFFFAOYSA-N
-rxn:4:221345:223776,CC(C)(C)OC(=O)N1CCOc2ccc(-c3cnc(OCC4CCN(c5ncc(Cl)cn5)CC4)nc3)cc2C1,PMNNGGLIUYEQPT-UHFFFAOYSA-N
-rxn:4:221352:222634,Fc1cc(-c2cnc(OC3CCN(c4nc(C5CC5)ns4)CC3)nc2)ccc1OCCNC1CCCC1,FIMHUWAVDFBJSD-UHFFFAOYSA-N
-rxn:4:221391:222538,CSc1ncc(-c2cc(C3CCCC3)nc(C3CCNCC3)c2)c(N2CCC(N(C)c3ccccn3)CC2)n1,LGEIBSBGZKRXGZ-UHFFFAOYSA-N
-rxn:4:221405:222538,CN(C)c1cc(N2CCN(Cc3ccccc3-c3cc(C4CCCC4)nc(C4CCNCC4)c3)CC2)ncn1,OIFCXWPKNFYWET-UHFFFAOYSA-N
-rxn:4:221415:226425,Cc1cc(N(C)C)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(N5CCCCC5C)s4)cc3)CC2)n1,XEUPLIFXAJURHX-UHFFFAOYSA-N
-rxn:4:221435:222407,CCNC(=O)Nc1ccc(-c2cccc(C(=O)N3CCN(c4ccc(N5CCCCC5)nn4)CC3)c2)cc1,CHJVIDQZEISZOR-UHFFFAOYSA-N
-rxn:4:221440:223281,Cc1cc(N2CCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C5(O)COC5)nc4)cc3)CC2)n1,XGSGWTNQPHWYNZ-UHFFFAOYSA-N
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-rxn:4:221447:224374,COc1ccc(S(=O)(=O)N2CCCC2)cc1-c1ccc(CN2CCN(c3cc(C)nc(N4CCOCC4)n3)CC2)cc1,BBJFGXBIJOOOJB-UHFFFAOYSA-N
-rxn:4:221449:222985,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C5CCCNC5)nc4C)cc3)CC2)n1,UPYNUBRUTSJERM-UHFFFAOYSA-N
-rxn:4:221498:225549,CCCCC(=O)c1cc(-c2c[nH]c3ncnc(N4CCN(C(=O)OC(C)(C)C)CC4)c23)ccc1F,GGKWOKZWXQXGER-UHFFFAOYSA-N
-rxn:4:221538:225426,CCN(CC)C(C)c1ccc(-c2ccc(Cn3c(CN4CCCCC4C)nc4c3c(=O)n(C)c(=O)n4C)cc2)cc1,CYLANDVJHFMQHR-UHFFFAOYSA-N
-rxn:4:221539:223170,CC1CN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(-c3cnc(C4CCCNC4)nc3)cc2)CC(C)O1,QTYNZFXESCPHQM-UHFFFAOYSA-N
-rxn:4:221618:222583,O=C(NCCN1CCOCC1)c1ccc(-c2cnc(N3CCN(c4ccnc(C(F)(F)F)c4)C(=O)C3)nc2)cc1,LBHXVTHMUHNVIH-UHFFFAOYSA-N
-rxn:4:221641:223994,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cnc(N2CCC(n3nc(C4CC4)ccc3=O)CC2)nc1,HRIVCUDKBASJJL-UHFFFAOYSA-N
-rxn:4:221642:228105,CCN(C)c1cc(-c2cnc(N3CCC(N4CC(=O)N(C5CC5)C4=O)CC3)nc2)ccn1,BJJXGVUEMLFGHT-UHFFFAOYSA-N
-rxn:4:221726:225124,CN(C1=NS(=O)(=O)c2ccccc21)C1CCN(c2ncc(-c3ccnc(OCC4CCOCC4)c3)cn2)CC1,SYXMHTANKPVWRG-UHFFFAOYSA-N
-rxn:4:221727:225179,O=C(c1cncc(-c2cccc(Cl)c2CN2CCOCC2)c1)N1CCN(c2cc3c(nn2)CCCC3)CC1,ZYPSHWNVYSDIJU-UHFFFAOYSA-N
-rxn:4:221728:223602,Cn1nc(C2CCN(c3nc4ccc(-c5ccnc(N6CCN(C(=O)OC(C)(C)C)CC6)c5Cl)cc4s3)CC2)n(C2CC2)c1=O,DPYSXQXLOPPWJQ-UHFFFAOYSA-N
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-rxn:4:221836:224394,Cc1ccc(-c2cnc(N3CCCN(C4=NS(=O)(=O)c5ccccc54)CC3)nc2)cc1S(=O)(=O)N1CCOCC1,XFLFWGKXEMKNHR-UHFFFAOYSA-N
-rxn:4:221836:225805,CC(c1ccc(-c2cnc(N3CCCN(C4=NS(=O)(=O)c5ccccc54)CC3)nc2)s1)N1CCOCC1,BREAPUHWXSSROJ-UHFFFAOYSA-N
-rxn:4:221855:222426,CCn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3ccc4c(c3)C3(CCN(C(=O)OC(C)(C)C)CC3)C(=O)N4)cc2)n(C)c1=O,IOXMQDZKDPPUHU-UHFFFAOYSA-N
-rxn:4:221927:226843,CCOc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C(=O)C(F)(F)F)nc6)cc5)no4)C3C2=O)cc1,AWAJGUKXXUZCAC-UHFFFAOYSA-N
-rxn:4:221935:222722,N#Cc1nccnc1N1CCCC(COc2ncc(-c3cccc(S(=O)(=O)N4CCC(O)CC4)c3)cn2)C1,MGWOVUKQWNLHEU-UHFFFAOYSA-N
-rxn:4:221938:224672,CCN1CCN(c2ccc(-c3cnc(OCC4CCCN(C(=O)c5cn(C)nn5)C4)nc3)c(Cl)c2)CC1,QGHRUHBFCGEFOR-UHFFFAOYSA-N
-rxn:4:221965:223071,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(CNS(=O)(=O)CC)cc5)cc4)CC3)nn2)CC1,IIEOOTIQKSJYEV-UHFFFAOYSA-N
-rxn:4:221965:223180,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(C(=O)NOC)c(F)c5)cc4)CC3)nn2)CC1,CXBJIRXFWLHNFB-UHFFFAOYSA-N
-rxn:4:221973:224396,Cc1cc(-c2ccccc2CC(=O)N(C)C2CN(c3ccc4nnc(C)n4n3)C2)ccc1S(=O)(=O)N1CCOCC1,DSTIYWSQBOBYAG-UHFFFAOYSA-N
-rxn:4:222015:222546,Cc1nccn1-c1cc(N2CCN(C(=O)c3ccc(-c4ccc(OCCNC5CCCCC5)c(F)c4)o3)CC2)ncn1,XFFYGENISPANQO-UHFFFAOYSA-N
-rxn:4:222031:222997,CN(C)c1nccc(N2CCN(c3ncc(C(F)(F)F)cc3-c3ccc(Cl)cc3C3CCCNC3)CC2)n1,NWEPHRQWRYCVKZ-UHFFFAOYSA-N
-rxn:4:222033:225107,CCN(CC)C(=O)c1cccc(-c2cnc(N3CCN(c4cc(N(C)C)ncn4)CC3)c(C(F)(F)F)c2)c1F,VNKGMYDVHLTDNI-UHFFFAOYSA-N
-rxn:4:222054:222479,Cc1ccc(CNC(=O)c2cc(F)cc(-c3ccc(C(=O)N4CCN(c5ccc(N6CCN(C)CC6)nn5)CC4)o3)c2)cc1,IUUYOFNCSVALHS-UHFFFAOYSA-N
-rxn:4:222062:223178,CONC(=O)c1ccc(F)c(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCN(C)CC5)n4)CC3)cc2)c1,LOUATXOKAWTJQZ-UHFFFAOYSA-N
-rxn:4:222147:224720,CC(C)(C)OC(=O)n1cc(-c2cnc(N3CCN(c4cc(C(F)(F)F)ncn4)CC3)nc2)c(C2CC2)n1,JJHWWDKGQWRECJ-UHFFFAOYSA-N
-rxn:4:222156:223929,CC(C)(C)OC(=O)N1CCc2cc(-c3cnc(N4CCN(c5ncnc(C6CC6)c5F)CC4)nc3)cnc2C1,ZNMQCODMNLFBQN-UHFFFAOYSA-N
-rxn:4:222188:222582,CCc1ncnc(N2CC3CN(c4ncc(-c5cccc(C(=O)NCCN6CCOCC6)c5)cn4)CC3C2)c1F,QKSRMRCYPQHGMK-UHFFFAOYSA-N
-rxn:4:222331:224607,C[Si](C)(C)CCOC(=O)c1ccc(-c2cnc(N3CCN(c4nccc(N5CCOCC5)n4)CC3)nc2)cc1,HOOQDVDNXHIODY-UHFFFAOYSA-N
-rxn:4:222332:224607,C[Si](C)(C)CCOC(=O)c1ccc(-c2cnc(N3CCN(c4cc(N5CCOCC5)ncn4)CC3)nc2)cc1,WOMSHAOGUZSZPC-UHFFFAOYSA-N
-rxn:4:222333:224607,C[Si](C)(C)CCOC(=O)c1ccc(-c2cnc(N3CCN(c4ccc(N5CCOCC5)nn4)CC3)nc2)cc1,IFDJJTSKAMIDSD-UHFFFAOYSA-N
-rxn:4:222339:226039,CCc1nn(S(=O)(=O)N(C)C)cc1-c1cncc(N2CCN(c3cc(N4CCN(C)CC4)nc(C)n3)CC2)c1,DHWQVZDBDJTWFD-UHFFFAOYSA-N
-rxn:4:222389:185530,COC(=O)CC1COc2ccccc2N1S(=O)(=O)c1ccc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)cc1,FDIJEOZKINOIBJ-UHFFFAOYSA-N
-rxn:4:222389:206837,c1c(-c2cc(C3CCOCC3)nc(C3CC3)n2)cc(C2CCNCC2)nc1C1CCNCC1,CDUQRHGIACSCCV-UHFFFAOYSA-N
-rxn:4:222432:187969,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc(S(=O)(=O)NC4CCCCC4)c4ccccc34)cccc21,WSEMUYXLPIFZQW-UHFFFAOYSA-N
-rxn:4:222580:204114,O=C(c1ccc(-c2ccc(S(=O)(=O)NC3CC3)c3ccccc23)o1)N1CCCN(C2CCSCC2)CC1,YMOYZLXJPVIVEP-UHFFFAOYSA-N
-rxn:4:222693:187597,O=C(c1cccc(-c2ccc(S(=O)(=O)NC3CCCCC3)cc2)c1)N1CC(S(=O)(=O)C2CCCCC2)C1,QZQZLCMOYNMTDB-UHFFFAOYSA-N
-rxn:4:222802:174514,Cc1ccc(-c2cccc(O[Si](C(C)C)(C(C)C)C(C)C)c2)c(S(=O)(=O)NC(C)(C)C)c1,OJWVZJBOTDKVHJ-UHFFFAOYSA-N
-rxn:4:222902:184096,COC(=O)CNC(=O)c1cccc(-c2ccc(CN(C(=O)OC(C)(C)C)C3CCC(C)(C)CC3)cc2)c1,ABNRAPMZVITIHC-UHFFFAOYSA-N
-rxn:4:222940:199892,CC(C)(C)NS(=O)(=O)c1cncc(-c2ccc3c(C(=O)CC#N)cn(C(=O)OC(C)(C)C)c3c2)c1,GSUMJNFZCJJTFZ-UHFFFAOYSA-N
-rxn:4:222971:184054,CC(C)CS(=O)(=O)C1CCN(C(=O)Cc2ccc(-c3ccc(NC(=O)C(C)(C)C)cc3)cc2)CC1,NYEKSRNUAUIIME-UHFFFAOYSA-N
-rxn:4:222981:193909,O=C1C(=Cc2ccc(-c3ccnc(NC4CCCCC4)c3)o2)SC(=S)N1C1CCCCC1,BXOCAYOMESWCPN-UHFFFAOYSA-N
-rxn:4:223093:185260,CC(C)S(=O)(=O)Nc1cncc(-c2ccc(CC3CCN(C(=O)OC(C)(C)C)C3)cc2)c1,FYAXXFBWKAODDP-UHFFFAOYSA-N
-rxn:4:223520:205657,CC(c1ccc(-c2cccnc2C(=O)N2CCC2)cc1)N1CCN(C(=O)OC(C)(C)C)CC1,VCRQKFMBSINLBJ-UHFFFAOYSA-N
-rxn:4:223640:219502,CCOC12C(=O)c3cc(F)cc(-c4cncc(C(=O)N5CCC(N(C)c6ccccn6)CC5)c4)c3C(=O)C1C2(C)C,VLXIPJWEORGWIC-UHFFFAOYSA-N
-rxn:4:223670:177978,COC(=O)C1(C)OC1(C)c1cccc(-c2cccnc2N2CCN(C(=O)OC(C)(C)C)CC2)c1,OXWJKWUBEZDIKM-UHFFFAOYSA-N
-rxn:5:176872:225941:225514,COC(=O)c1cc(OC)c(-c2cnc(C3CC3)c(C(F)(F)F)c2)c(-c2cccc3c2OCC2(CC2)CO3)c1,IURWXSOECZRHTC-UHFFFAOYSA-N
-rxn:5:177190:225395:225498,CCS(=O)(=O)Cc1ccc(-c2cc(C3CCCCC3)ccc2F)c(-c2cc(C3CC3)cc(C(C)(C)C)c2)c1,DODRSJMLGVVJIO-UHFFFAOYSA-N
-rxn:5:177190:225607:223147,CCS(=O)(=O)Cc1ccc(-c2ccc(C3CNCCO3)cc2)c(-c2ccc(C(C)N3CCCCC3)s2)c1,VMXWVOJCJWUEFN-UHFFFAOYSA-N
-rxn:5:177190:226032:225607,CCS(=O)(=O)Cc1ccc(-c2ccc(C(C)N3CCCCC3)s2)c(-c2cc(OC)cc(C(F)(F)F)c2F)c1,XREZDEQLRADKKR-UHFFFAOYSA-N
-rxn:5:177190:226661:222982,CCS(=O)(=O)Cc1ccc(-c2ccc(CN3CC[C@@H](O)C3)cc2)c(-c2cc(N3CCN(C)CC3)cs2)c1,IKHHMSFGUJRYOL-AREMUKBSSA-N
-rxn:5:177191:225601:223008,N#CC1(c2ccc(-c3cc(-c4cc(C5CCNCC5)ccc4F)ccc3CC(=O)C3CC3)c(F)c2)CCC1,NZGUIYKMNPNBBZ-UHFFFAOYSA-N
-rxn:5:177729:223054:223138,CC(c1ccc(-c2ccc(C(=O)OC(C)(C)C)c(-c3ccnc(C4CCNCC4)c3)c2)s1)N1CCC(O)C1,WOQVXVULBGAXPV-UHFFFAOYSA-N
-rxn:5:177729:223056:226658,CC(C)(C)OC(=O)c1ccc(-c2ccc(N3CCC(O)CC3)nc2)cc1-c1ccc(N2CCCC2)nc1F,MJMQOKWMIQYXMR-UHFFFAOYSA-N
-rxn:5:177730:223056:226658,CC(C)(C)OC(=O)c1cc(-c2ccc(N3CCC(O)CC3)nc2)ccc1-c1ccc(N2CCCC2)nc1F,WDUMSCBVZVJRID-UHFFFAOYSA-N
-rxn:5:177730:225438:223132,CC(c1ccc(-c2ccc(-c3cccc(N4CCNCC4)c3)c(C(=O)OC(C)(C)C)c2)cc1)N1CCCC1,FAKMWTYBJBFJDL-UHFFFAOYSA-N
-rxn:5:177731:225439:223133,CC(c1cccc(-c2cc(-c3ccccc3N3CCNCC3)ccc2C(=O)OC(C)(C)C)c1)N1CCCC1,RGDJXWDXTKNWTH-UHFFFAOYSA-N
-rxn:5:177731:225451:225451,CC(C)(C)OC(=O)c1ccc(-c2ccc(SC3CCCCC3)cc2)cc1-c1ccc(SC2CCCCC2)cc1,IRIZDQGZMFTSJK-UHFFFAOYSA-N
-rxn:5:177731:225633:226347,Cc1cc(-c2ccc(C(=O)OC(C)(C)C)c(-c3ccc(N4CCCCCC4)nc3)c2)c(OC(C)C)cc1F,KOEIMMJCAYVUBP-UHFFFAOYSA-N
-rxn:5:177731:225849:223056,CC(C)(C)OC(=O)c1ccc(-c2ccc(N3CCC(O)CC3)nc2)cc1-c1cnc(N2CCCCC2)cc1F,WEYVZOYMQAUUNV-UHFFFAOYSA-N
-rxn:5:177731:225978:226794,CC(C)(C)OC(=O)c1ccc(-c2cnc(N3CCSCC3)nc2)cc1-c1ccc(N2CCOCC2)nc1F,MRCGFNSTCNRVGF-UHFFFAOYSA-N
-rxn:5:177731:226664:225976,CC(C)(C)OC(=O)c1ccc(-c2ccnc(N3CCOCC3)c2F)cc1-c1cc(N2CCCC2)ncc1F,PJTQCASSHZOVTB-UHFFFAOYSA-N
-rxn:5:177733:223054:227387,CC(c1ccc(-c2cc(C(=O)OC(C)(C)C)cc(-c3ccnc(N4CCCC4)c3)c2)s1)N1CCC(O)C1,QXEIKZAUUIZVLA-UHFFFAOYSA-N
-rxn:5:177733:225879:226794,CC(C)(C)OC(=O)c1cc(-c2cnc(N3CCSCC3)nc2)cc(-c2ccc(N3CCOCC3)cc2F)c1,MDLFCDUHAYBPQC-UHFFFAOYSA-N
-rxn:5:177733:225976:226366,CC(C)(C)OC(=O)c1cc(-c2ccnc(N3CCCCC3)c2)cc(-c2ccnc(N3CCOCC3)c2F)c1,MFMHUFBCDKDKJB-UHFFFAOYSA-N
-rxn:5:177733:225976:226649,CC(C)(C)OC(=O)c1cc(-c2cccnc2N2CCOCC2)cc(-c2ccnc(N3CCOCC3)c2F)c1,GPAQNWYUHZWVNF-UHFFFAOYSA-N
-rxn:5:177733:225978:226663,CC(C)(C)OC(=O)c1cc(-c2ccc(N3CCSCC3)nc2)cc(-c2ccc(N3CCOCC3)nc2F)c1,UXCILNPMWIWOQN-UHFFFAOYSA-N
-rxn:5:177733:226663:225655,CC1CCN(c2cncc(-c3cc(C(=O)OC(C)(C)C)cc(-c4ccc(N5CCSCC5)nc4)c3)c2)CC1,JXYCAFUPIKMYCC-UHFFFAOYSA-N
-rxn:5:177734:225817:223131,Cc1cc(-c2ccc(C(F)(F)F)c(C3CC3)c2)c(-c2ccc(N3CCNCC3)cc2)cc1C(=O)OC(C)C,WKIOBXVOSTYIAR-UHFFFAOYSA-N
-rxn:5:177736:225439:223132,CC(c1cccc(-c2cc(C(=O)OC(C)(C)C)ccc2-c2cccc(N3CCNCC3)c2)c1)N1CCCC1,GHWXNDGWLKITIC-UHFFFAOYSA-N
-rxn:5:177736:225976:226366,CC(C)(C)OC(=O)c1ccc(-c2ccnc(N3CCCCC3)c2)c(-c2ccnc(N3CCOCC3)c2F)c1,KEADIBUQVCKSBQ-UHFFFAOYSA-N
-rxn:5:177736:225978:226663,CC(C)(C)OC(=O)c1ccc(-c2ccc(N3CCSCC3)nc2)c(-c2ccc(N3CCOCC3)nc2F)c1,KHDRSYKPDPTFQD-UHFFFAOYSA-N
-rxn:5:177736:225982:226663,CC(C)(C)OC(=O)c1ccc(-c2ccc(N3CCSCC3)nc2)c(-c2cnc(N3CCOCC3)cc2F)c1,DGWLHXJVPLXRAE-UHFFFAOYSA-N
-rxn:5:177737:225982:226794,CC(C)(C)OC(=O)c1cc(-c2cnc(N3CCSCC3)nc2)ccc1-c1cnc(N2CCOCC2)cc1F,QZQVHQSGLINGLD-UHFFFAOYSA-N
-rxn:5:177737:226645:225438,CC(c1ccc(-c2ccc(-c3ccnc(N4CCOCC4)c3)c(C(=O)OC(C)(C)C)c2)cc1)N1CCCC1,RIPVSIJUCIFCQG-UHFFFAOYSA-N
-rxn:5:177739:222994:226664,CC(C)(C)OC(=O)c1cccc(-c2cccc(N3CCC(O)CC3)c2)c1-c1cc(N2CCCC2)ncc1F,UAHXODHTAHWPNQ-UHFFFAOYSA-N
-rxn:5:177739:223061:226679,CC(C)(C)OC(=O)c1cccc(-c2cc(C3CCNCC3)ncc2F)c1-c1cnc(N2CCCC2)cc1F,NRPHWZSUKZXENE-UHFFFAOYSA-N
-rxn:5:177739:223132:223056,CC(C)(C)OC(=O)c1cccc(-c2cccc(N3CCNCC3)c2)c1-c1ccc(N2CCC(O)CC2)nc1,GDOFSZGKLSKUIA-UHFFFAOYSA-N
-rxn:5:177739:225407:225451,CC(C)(C)OC(=O)c1cccc(-c2ccc(C3CCCCCC3)cc2)c1-c1ccc(SC2CCCCC2)cc1,ZQCZIESCMIPSQA-UHFFFAOYSA-N
-rxn:5:177739:225976:223056,CC(C)(C)OC(=O)c1cccc(-c2ccnc(N3CCOCC3)c2F)c1-c1ccc(N2CCC(O)CC2)nc1,ICWYRNLBNBVZDG-UHFFFAOYSA-N
-rxn:5:177739:226794:225978,CC(C)(C)OC(=O)c1cccc(-c2cnc(N3CCSCC3)nc2)c1-c1ccc(N2CCOCC2)nc1F,BTYJLQASLQWBAD-UHFFFAOYSA-N
-rxn:5:177851:223062:227710,CCOc1c(-c2ccc(OS(C)(=O)=O)cc2)cc(C2OCCO2)cc1-c1cnc(C2CCNCC2)cc1F,CLEVMNUUESUSKN-UHFFFAOYSA-N
-rxn:5:177891:223146:227517,O=C(SC1CS(=O)(=O)CC1c1ccc(OC2COC2)nc1)c1ccccc1-c1cccc(C2CNCCO2)c1,YKLODVLCAOGEAO-UHFFFAOYSA-N
-rxn:5:177891:223286:226177,CS(=O)(=O)Nc1cccc(-c2ccccc2C(=O)SC2CS(=O)(=O)CC2c2ccnc(C3CCCCC3)c2)c1,RWULLBCZTFQNHE-UHFFFAOYSA-N
-rxn:5:177891:226583:227517,O=C(SC1CS(=O)(=O)CC1c1ccc(OC2COC2)nc1)c1ccccc1-c1ccc(CN2CCOCC2)s1,VCKWHYHYOBWCGU-UHFFFAOYSA-N
-rxn:5:177891:226586:227657,O=C(SC1CS(=O)(=O)CC1c1ccc(N2CCOCC2)s1)c1ccccc1-c1ccnc(OC2CCOC2)c1,XFUVLBRFHPFQRM-UHFFFAOYSA-N
-rxn:5:177891:226649:226586,O=C(SC1CS(=O)(=O)CC1c1ccnc(OC2CCOC2)c1)c1ccccc1-c1cccnc1N1CCOCC1,BJWMHKVTTBHSGJ-UHFFFAOYSA-N
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-rxn:5:179417:225805:226571,CCS(=O)(=O)c1ccc(-c2ccc(C(C)N3CCOCC3)s2)c(-c2cnn(CC3CCOCC3)c2)c1,WXEDYJDTYYVYBZ-UHFFFAOYSA-N
-rxn:5:179418:225805:225798,CC(c1ccc(-c2cc(CS(C)(=O)=O)ccc2-c2ccc(OC3CCOCC3)nc2)s1)N1CCOCC1,JUDOKNFDYHIICC-UHFFFAOYSA-N
-rxn:5:180020:222960:223132,Cc1cc(-c2cc(-c3cccc(N4CCNCC4)c3)ccc2OC2CCCC2=O)cc(C2CCNCC2)c1,NPZMTYUFFLCTTF-UHFFFAOYSA-N
-rxn:5:180021:226429:225987,COc1c(-c2ccc(N3CCCS3(=O)=O)cc2)cc(C2OCCO2)cc1-c1ccc(N2CCCC(C)C2)s1,HUOVJTYWVLEAAI-UHFFFAOYSA-N
-rxn:5:180022:226645:225986,COc1c(-c2ccccc2N2CCCS2(=O)=O)ccc(-c2ccnc(N3CCOCC3)c2)c1C1OCCO1,JIBMAPKYOCHKPW-UHFFFAOYSA-N
-rxn:5:180267:225924:225945,CSc1cc(C(C)(C)C)cc(-c2ccc(S(=O)(=O)N(C)C)cc2C)c1-c1ccc(C#CC(F)(F)F)c(F)c1,PHKZFUSLFZYENJ-UHFFFAOYSA-N
-rxn:5:180402:225394:227052,CC(C)(C)Sc1ccc(-c2cc(-c3cc(C4CCC4)cc(C4CC4)c3)ccc2C(=O)C2CCCCC2)cc1,BNORQRXEMRIRKB-UHFFFAOYSA-N
-rxn:5:180402:225451:226062,CC(C)c1cc(-c2cc(-c3ccc(SC4CCCCC4)cc3)ccc2C(=O)C2CCCCC2)cc(C(C)C)c1,NQXAFTDRVFFRIN-UHFFFAOYSA-N
-rxn:5:180402:225451:227038,COc1ccc(C(C)C)cc1-c1cc(-c2ccc(SC3CCCCC3)cc2)ccc1C(=O)C1CCCCC1,LAJWDAZOMKHCFG-UHFFFAOYSA-N
-rxn:5:180402:225453:227592,COc1cc(F)cc(-c2cc(-c3cccc(SC4CCCCC4)c3)ccc2C(=O)C2CCCCC2)c1OC,CMEAOVROIIUJPB-UHFFFAOYSA-N
-rxn:5:180402:227045:223082,CNS(=O)(=O)c1c(C)cc(-c2cc(-c3cccc(SC(C)(C)C)c3)ccc2C(=O)C2CCCCC2)cc1C,CEEHOXGRJUBJSG-UHFFFAOYSA-N
-rxn:5:180402:227409:225931,Cc1cc(-c2cc(-c3cc(C(C)(C)C)ncc3F)ccc2C(=O)C2CCCCC2)cc(S(=O)(=O)N(C)C)c1,HCAGBGLWVXEENQ-UHFFFAOYSA-N
-rxn:5:180421:222957:227613,Cc1cc(-c2cc(CC3CCCCC3)ccc2-c2cnn(C3CCOCC3)c2)cc(C2CCCNC2)c1,LPIKCBBQTNTZFN-UHFFFAOYSA-N
-rxn:5:180421:225832:226452,Cc1nn(C2CCCCO2)c(C)c1-c1cc(CC2CCCCC2)ccc1-c1ccc(C2OCCCO2)cc1,ALYJQZCBRLQTNB-UHFFFAOYSA-N
-rxn:5:180422:225657:223186,Cc1cc(-c2ccc(CC3CCCCC3)cc2-c2cnn(C3CCCCO3)c2)ccc1N1CCOCC1,MZZKXYMKOYWOGH-UHFFFAOYSA-N
-rxn:5:180602:223294:225980,COC(=O)C1Cc2cc(-c3cc(N4CCOCC4)ncc3F)cc(-c3csc(N4CCNCC4)n3)c2O1,HCFLQGKKMGPUJT-UHFFFAOYSA-N
-rxn:5:180602:225976:226644,COC(=O)C1Cc2cc(-c3cncc(N4CCOCC4)c3)cc(-c3ccnc(N4CCOCC4)c3F)c2O1,BOMRMAGLRPLUCW-UHFFFAOYSA-N
-rxn:5:180602:225982:226794,COC(=O)C1Cc2cc(-c3cnc(N4CCSCC4)nc3)cc(-c3cnc(N4CCOCC4)cc3F)c2O1,GZURGCJECJYDFG-UHFFFAOYSA-N
-rxn:5:180602:226794:225978,COC(=O)C1Cc2cc(-c3ccc(N4CCOCC4)nc3F)cc(-c3cnc(N4CCSCC4)nc3)c2O1,RNEBYBAMUDGUKO-UHFFFAOYSA-N
-rxn:5:180602:226794:225980,COC(=O)C1Cc2cc(-c3cc(N4CCOCC4)ncc3F)cc(-c3cnc(N4CCSCC4)nc3)c2O1,NUUOETMEOVPHEU-UHFFFAOYSA-N
-rxn:5:180662:222998:227507,COC(=O)C1=Cc2cc(-c3cccc(C=C[N+](=O)[O-])c3)cc(-c3cc(F)cc(C4CCCNC4)c3)c2OC1,NANPXMKIFNLSPG-UHFFFAOYSA-N
-rxn:5:180662:223061:225982,COC(=O)C1=Cc2cc(-c3cnc(N4CCOCC4)cc3F)cc(-c3cc(C4CCNCC4)ncc3F)c2OC1,XKYLVYLSDCTNIP-UHFFFAOYSA-N
-rxn:5:180662:223065:223242,COC(=O)C1=Cc2cc(-c3ccnc(C4CCNC4)c3)cc(-c3ccc(N4CCNCC4)cc3F)c2OC1,RLESVLPMPQWFCW-UHFFFAOYSA-N
-rxn:5:180662:223135:226731,COC(=O)C1=Cc2cc(-c3ccccc3S(=O)(=O)N(C)C)cc(-c3cccnc3C3CCCNC3)c2OC1,IVYPFIADFUTOEW-UHFFFAOYSA-N
-rxn:5:180662:223295:225798,COC(=O)C1=Cc2cc(-c3ccc(OC4CCOCC4)nc3)cc(-c3cncc(NS(C)(=O)=O)c3)c2OC1,XTGIZPOUINELIU-UHFFFAOYSA-N
-rxn:5:180662:225982:227379,COC(=O)C1=Cc2cc(-c3cccnc3N3CCCC3)cc(-c3cnc(N4CCOCC4)cc3F)c2OC1,MHCZEPPSZDSWHR-UHFFFAOYSA-N
-rxn:5:180662:226144:227613,COC(=O)C1=Cc2cc(-c3cnn(C4CCOCC4)c3)cc(-c3ccc(C#C[Si](C)(C)C)cc3)c2OC1,BNBFFZZRXWGHBA-UHFFFAOYSA-N
-rxn:5:181622:225607:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(C2OCCO2)cc1-c1ccc(C(C)N2CCCCC2)s1,KPQHOOQNHUZKCA-UHFFFAOYSA-N
-rxn:5:181624:225832:225640,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(C2OCCO2)c(-c2ccnc(N3CCCCC3C)c2)c1,XEYYLDQOJOBZJE-UHFFFAOYSA-N
-rxn:5:181624:225832:225677,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(C2OCCO2)c(-c2ccc(C3CCCCC3)nc2F)c1,WKGHRLSKJNZXTK-UHFFFAOYSA-N
-rxn:5:181625:225832:226427,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2cc(N3CCC(C)CC3)cs2)cc1C1OCCO1,VGPUKNOTQOSMOG-UHFFFAOYSA-N
-rxn:5:181630:222998:225832,Cc1nn(C2CCCCO2)c(C)c1-c1c(-c2cc(F)cc(C3CCCNC3)c2)cccc1C1OCCO1,CAANILYDCNIKKB-UHFFFAOYSA-N
-rxn:5:181630:225832:222998,Cc1nn(C2CCCCO2)c(C)c1-c1cccc(C2OCCO2)c1-c1cc(F)cc(C2CCCNC2)c1,GLJDQEGGXMXRNR-UHFFFAOYSA-N
-rxn:5:181904:222960:225466,Cc1cc(-c2ccc(C3OCCO3)c(C)c2-c2ccc(N3CCCCC3C)cc2)cc(C2CCNCC2)c1,IPGRKICTBVTSLD-UHFFFAOYSA-N
-rxn:5:181904:222960:225636,Cc1cc(-c2ccc(C3OCCO3)c(C)c2-c2ccnc(N3CCC(C)CC3)c2)cc(C2CCNCC2)c1,LVGZRFIHNJWBGJ-UHFFFAOYSA-N
-rxn:5:181904:225607:222959,Cc1cc(-c2c(-c3ccc(C(C)N4CCCCC4)s3)ccc(C3OCCO3)c2C)ccc1C1CCNCC1,SVEDXZDSSIYZKD-UHFFFAOYSA-N
-rxn:5:181904:225832:223147,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(C2OCCO2)c(C)c1-c1ccc(C2CNCCO2)cc1,AZEIAQLIWBIYMJ-UHFFFAOYSA-N
-rxn:5:181904:226652:225438,Cc1cc(-c2ccc(C3OCCO3)c(C)c2-c2ccc(C(C)N3CCCC3)cc2)n(C2CCCCO2)n1,RYXYXZGIENNSQJ-UHFFFAOYSA-N
-rxn:5:181905:222998:225884,Cc1ccc(-c2ccc(C3COCCO3)c(F)c2)c(C2OCCO2)c1-c1cc(F)cc(C2CCCNC2)c1,AXPRQJXSYUMIIR-UHFFFAOYSA-N
-rxn:5:181906:222987:225884,Cc1ccc(-c2ccc(C3CCNCC3)nc2C)c(C2OCCO2)c1-c1ccc(C2COCCO2)c(F)c1,ZVGNTRWWCMNQRD-UHFFFAOYSA-N
-rxn:5:181906:225394:225638,Cc1ccc(-c2cc(C3CCC3)cc(C3CC3)c2)c(C2OCCO2)c1-c1ccc(N2CCC(C)CC2)nc1,HFLYLGSQVIDVIC-UHFFFAOYSA-N
-rxn:5:181906:225638:225638,Cc1ccc(-c2ccc(N3CCC(C)CC3)nc2)c(C2OCCO2)c1-c1ccc(N2CCC(C)CC2)nc1,ABQCYEGISFZCBT-UHFFFAOYSA-N
-rxn:5:181906:225832:227390,Cc1ccc(-c2c(C)nn(C3CCCCO3)c2C)c(C2OCCO2)c1-c1ccnn1C1CCCCC1,OBICAKYORJGXML-UHFFFAOYSA-N
-rxn:5:181907:222957:225439,Cc1cc(-c2cc(C)cc(C3OCCO3)c2-c2cccc(C(C)N3CCCC3)c2)cc(C2CCCNC2)c1,MOCDKNWDQOSNFQ-UHFFFAOYSA-N
-rxn:5:181907:222985:222957,Cc1cc(-c2c(-c3ccc(C4CCCNC4)nc3C)cc(C)cc2C2OCCO2)cc(C2CCCNC2)c1,UWGJGWORZMVXHK-UHFFFAOYSA-N
-rxn:5:181907:222987:225438,Cc1cc(-c2ccc(C3CCNCC3)nc2C)c(-c2ccc(C(C)N3CCCC3)cc2)c(C2OCCO2)c1,ZUPWWOPNKIWCEZ-UHFFFAOYSA-N
-rxn:5:181907:225453:225653,Cc1cc(-c2cccc(SC3CCCCC3)c2)c(-c2ccc(N3CCCCC3C)nc2)c(C2OCCO2)c1,RDBKSUZBJMRQSZ-UHFFFAOYSA-N
-rxn:5:181907:225466:223056,Cc1cc(-c2ccc(N3CCCCC3C)cc2)c(-c2ccc(N3CCC(O)CC3)nc2)c(C2OCCO2)c1,ZVXTYZMPKNWDPF-UHFFFAOYSA-N
-rxn:5:181907:225514:226330,Cc1cc(-c2cccc3c2OCC2(CC2)CO3)c(-c2ccc(C(C)N3CCCC3)s2)c(C2OCCO2)c1,BETGYEOOYSODHJ-UHFFFAOYSA-N
-rxn:5:181907:225638:225514,Cc1cc(-c2ccc(N3CCC(C)CC3)nc2)c(-c2cccc3c2OCC2(CC2)CO3)c(C2OCCO2)c1,TYPNZQOZHSHTCN-UHFFFAOYSA-N
-rxn:5:181907:225639:225407,Cc1cc(-c2cccnc2N2CCC(C)CC2)c(-c2ccc(C3CCCCCC3)cc2)c(C2OCCO2)c1,JZVJKSHSGJUIKT-UHFFFAOYSA-N
-rxn:5:181908:225407:225453,Cc1cc(-c2ccc(C3CCCCCC3)cc2)c(-c2cccc(SC3CCCCC3)c2)cc1C1OCCO1,YQFUUPBBNVKFEL-UHFFFAOYSA-N
-rxn:5:181908:225472:225671,Cc1cc(-c2cccc(N3CCCCC3C)c2)c(-c2cc(C3CCCCC3)ncc2F)cc1C1OCCO1,VSTHXJXCZKRIAS-UHFFFAOYSA-N
-rxn:5:181908:225607:226452,Cc1cc(-c2ccc(C(C)N3CCCCC3)s2)c(-c2ccc(C3OCCCO3)cc2)cc1C1OCCO1,JMAQMRBMFAWYQF-UHFFFAOYSA-N
-rxn:5:181908:225639:225470,Cc1cc(-c2cccnc2N2CCC(C)CC2)c(-c2ccc(N3CCC(C)CC3)cc2)cc1C1OCCO1,BHKANHBBSFXYLP-UHFFFAOYSA-N
-rxn:5:181908:225640:225469,Cc1cc(-c2ccnc(N3CCCCC3C)c2)c(-c2ccc(N3CCCC(C)C3)cc2)cc1C1OCCO1,OFRNQPPCPSYSDR-UHFFFAOYSA-N
-rxn:5:181908:225655:222981,Cc1cc(-c2cncc(N3CCC(C)CC3)c2)c(-c2ccnc(NC3CCCCC3)c2)cc1C1OCCO1,PGSGRXKZQNURQO-UHFFFAOYSA-N
-rxn:5:181908:226685:225607,Cc1cc(-c2cnc(C3CCOCC3)nc2)c(-c2ccc(C(C)N3CCCCC3)s2)cc1C1OCCO1,QBMLFEPNAKGCOS-UHFFFAOYSA-N
-rxn:5:182010:222957:225394,Cc1cc(-c2cc(-c3cc(C4CCC4)cc(C4CC4)c3)ccc2C2CCOCC2)cc(C2CCCNC2)c1,AIKQPEUVBMXTRY-UHFFFAOYSA-N
-rxn:5:182010:225832:223186,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2cnn(C3CCCCO3)c2)ccc1C1CCOCC1,ZPOMHQJKAWAIMJ-UHFFFAOYSA-N
-rxn:5:182010:226425:222957,Cc1cc(-c2ccc(C3CCOCC3)c(-c3ccc(N4CCCCC4C)s3)c2)cc(C2CCCNC2)c1,PGVYUXICSNPAKI-UHFFFAOYSA-N
-rxn:5:182010:226686:225784,Cc1cnn(C2CCCCO2)c1-c1cc(-c2ccc(CN3CCOCC3)nc2)ccc1C1CCOCC1,YUSSPADDYCBKCU-UHFFFAOYSA-N
-rxn:5:182011:225639:226686,Cc1cnn(C2CCCCO2)c1-c1cc(C2CCOCC2)ccc1-c1cccnc1N1CCC(C)CC1,MGPWJQSSLPCGNT-UHFFFAOYSA-N
-rxn:5:182012:225655:222959,Cc1cc(-c2ccc(-c3cncc(N4CCC(C)CC4)c3)cc2C2CCCOC2)ccc1C1CCNCC1,VLJGUNDMGIYPGJ-UHFFFAOYSA-N
-rxn:5:182012:225832:227657,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2ccc(N3CCOCC3)s2)c(C2CCCOC2)c1,ICRFPXXQJZTGIP-UHFFFAOYSA-N
-rxn:5:183062:222998:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2cc(F)cc(C3CCCNC3)c2)cc2c1OCCCO2,XJJBOXPCXLHTHM-UHFFFAOYSA-N
-rxn:5:183189:226686:225671,Cc1cnn(C2CCCCO2)c1-c1cc(-c2cc(C3CCCCC3)ncc2F)cc2c1OC(C)(C)OC2,LXIWUGFSJDSKFX-UHFFFAOYSA-N
-rxn:5:188868:223061:226583,CC(C)OC(=O)c1ccnc(-c2ccc(CN3CCOCC3)s2)c1-c1cc(C2CCNCC2)ncc1F,GNFVBUYDUPJCNI-UHFFFAOYSA-N
-rxn:5:188930:223135:227656,COC(=O)c1cc(S(N)(=O)=O)c(-c2cccnc2C2CCCNC2)cc1-c1cc(N2CCOCC2)cs1,LDFYEBXTFGNMIP-UHFFFAOYSA-N
-rxn:5:189001:223294:225868,COC(=O)C1(c2nc(-c3ccc(N4CCOCC4)c(F)c3)ccc2-c2csc(N3CCNCC3)n2)CC1,YELXAFQGDLQJLV-UHFFFAOYSA-N
-rxn:5:189001:226441:225982,COC(=O)C1(c2nc(-c3cnc(N4CCOCC4)cc3F)ccc2-c2ccc(N3CCCC3)cc2F)CC1,OEACTLPKHADPJI-UHFFFAOYSA-N
-rxn:5:189211:225928:228325,COc1cc(OC)c(-c2c(C(=O)ON3C(=O)CCC3=O)cccc2-c2ccc(C)c(S(=O)(=O)N(C)C)c2)cn1,CMGZHEDFONCXDS-UHFFFAOYSA-N
-rxn:5:189212:223013:225600,COC(=O)c1ccc2cc(-c3cc(C(=O)ON4C(=O)CCC4=O)ccc3-c3cccnc3OC3CCCCC3)[nH]c2c1,BIBCKMZJPMHAEN-UHFFFAOYSA-N
-rxn:5:189320:225976:223131,CC(C)(C)OC(=O)c1cnc(-c2ccc(N3CCNCC3)cc2)c(-c2ccnc(N3CCOCC3)c2F)c1,QBHSZBFJMNUBOW-UHFFFAOYSA-N
-rxn:5:189320:225976:223132,CC(C)(C)OC(=O)c1cnc(-c2cccc(N3CCNCC3)c2)c(-c2ccnc(N3CCOCC3)c2F)c1,LGTVLIPXWXDHIU-UHFFFAOYSA-N
-rxn:5:189320:225976:226643,CC(C)(C)OC(=O)c1cnc(-c2ccc(N3CCOCC3)nc2)c(-c2ccnc(N3CCOCC3)c2F)c1,MKKHIFWPACEHGH-UHFFFAOYSA-N
-rxn:5:189320:225978:226414,CC(C)(C)OC(=O)c1cnc(-c2ccc(C3=NCCCO3)cc2)c(-c2ccc(N3CCOCC3)nc2F)c1,PQLYKHRRCRQURJ-UHFFFAOYSA-N
-rxn:5:189320:225978:226649,CC(C)(C)OC(=O)c1cnc(-c2cccnc2N2CCOCC2)c(-c2ccc(N3CCOCC3)nc2F)c1,SILWRZWQDQBQAX-UHFFFAOYSA-N
-rxn:5:189320:225978:226663,CC(C)(C)OC(=O)c1cnc(-c2ccc(N3CCSCC3)nc2)c(-c2ccc(N3CCOCC3)nc2F)c1,MRFBPFXVRZHURD-UHFFFAOYSA-N
-rxn:5:189320:225980:226414,CC(C)(C)OC(=O)c1cnc(-c2ccc(C3=NCCCO3)cc2)c(-c2cc(N3CCOCC3)ncc2F)c1,NIQBJJDURCCCNH-UHFFFAOYSA-N
-rxn:5:189320:225982:223131,CC(C)(C)OC(=O)c1cnc(-c2ccc(N3CCNCC3)cc2)c(-c2cnc(N3CCOCC3)cc2F)c1,CPGWWVWAEGGHKO-UHFFFAOYSA-N
-rxn:5:189320:225982:226414,CC(C)(C)OC(=O)c1cnc(-c2ccc(C3=NCCCO3)cc2)c(-c2cnc(N3CCOCC3)cc2F)c1,MTQMSONPBYCEBB-UHFFFAOYSA-N
-rxn:5:189323:225834:223294,CC(C)(C)OC(=O)c1cc(-c2csc(N3CCNCC3)n2)ncc1-c1cc(N2CCCCC2)ncc1F,GAWJFQGXYKGZMO-UHFFFAOYSA-N
-rxn:5:189323:225879:223294,CC(C)(C)OC(=O)c1cc(-c2csc(N3CCNCC3)n2)ncc1-c1ccc(N2CCOCC2)cc1F,PFLQJWMYLPFOGM-UHFFFAOYSA-N
-rxn:5:189323:225976:223056,CC(C)(C)OC(=O)c1cc(-c2ccc(N3CCC(O)CC3)nc2)ncc1-c1ccnc(N2CCOCC2)c1F,IFGLPYNFJPDNQW-UHFFFAOYSA-N
-rxn:5:189334:226414:225976,CC(C)(C)OC(=O)c1ncc(-c2ccc(C3=NCCCO3)cc2)cc1-c1ccnc(N2CCOCC2)c1F,GAGRLAXXASVXQW-UHFFFAOYSA-N
-rxn:5:189334:226794:225833,CC(C)(C)OC(=O)c1ncc(-c2cnc(N3CCSCC3)nc2)cc1-c1ccnc(N2CCCCC2)c1F,POVIVVIPQGOUDN-UHFFFAOYSA-N
-rxn:5:189665:222986:227710,Cc1cc(-c2cnc(OCC3CCOCC3)c(-c3ccc(OS(C)(=O)=O)cc3)c2)cc(C2CCCNC2)n1,YWZQOBWIBHFQIZ-UHFFFAOYSA-N
-rxn:5:189670:226064:226059,CC(C)c1ccc(-c2ccc(-c3ccc(C4CCCCC4)cc3)cc2/C=N/S(=O)C(C)(C)C)c(C(C)C)c1,FCGAJUZQCPUDAR-GOJREDGKSA-N
-rxn:5:189672:226064:227103,CC(C)(C)S(=O)/N=C/c1cccc(-c2ccc(C3CCCCC3)cc2)c1-c1sccc1C1CCCCC1,OXZIUGJFUCTBHE-PPFNPFNJSA-N
-rxn:5:189673:226069:227103,CC(C)(C)S(=O)/N=C/c1ccc(-c2cccc(C3CCCCC3)c2)cc1-c1sccc1C1CCCCC1,LEMOAOZFDGZINO-PPFNPFNJSA-N
-rxn:5:189827:228369:225584,Cc1ccc([N+](=O)[O-])cc1-c1cc(CC(=O)N2CCOCC2)ccc1-c1ccc(C(=O)N2CCCC2)cc1,QPFDNPSYRZROJY-UHFFFAOYSA-N
-rxn:5:189952:222405:227362,CCOc1cc(C)cc(F)c1-c1cc(C(=O)N2CCOCC2)cc(-c2cccc(C3NC(=O)NC3=O)c2)c1OC,YXGKALADWCBJEI-UHFFFAOYSA-N
-rxn:5:189952:227023:226849,COc1nccc(-c2cc(C(=O)N3CCOCC3)cc(-c3ccc(C(C)N(C)C)cc3)c2OC)c1C(F)(F)F,BQTJGMDQVCGLSJ-UHFFFAOYSA-N
-rxn:5:190000:226150:227045,CC(C)(C)Sc1cccc(-c2ccc(CC(=O)N3CCCCC3)c(-c3cccc(SC4CCCC4)c3)c2)c1,UOLSBHZXFBGWES-UHFFFAOYSA-N
-rxn:5:190000:227091:225598,O=C(Cc1ccc(-c2cccc(CN3CCSCC3)c2)cc1-c1cncc(C2CCCC2)c1)N1CCCCC1,LENVPBDUPLDWBU-UHFFFAOYSA-N
-rxn:5:190000:227103:227052,CC(C)(C)Sc1ccc(-c2ccc(CC(=O)N3CCCCC3)c(-c3sccc3C3CCCCC3)c2)cc1,USKAPVNDEKYAHP-UHFFFAOYSA-N
-rxn:5:190000:227768:226761,CSc1ccc(-c2ccc(CC(=O)N3CCCCC3)c(-c3cccn3S(=O)(=O)N(C)C)c2)c(C(F)(F)F)c1,LLXURMGSBIUPDN-UHFFFAOYSA-N
-rxn:5:190000:227899:223064,CCC#Cc1cncc(-c2cc(-c3ccc(C4CCNCC4)nc3F)ccc2CC(=O)N2CCCCC2)c1,DDUBEJPEOFJZSE-UHFFFAOYSA-N
-rxn:5:190000:228184:225666,COc1ccc(-c2cc(-c3cc(F)cc(N4CCCCC4)c3)ccc2CC(=O)N2CCCCC2)cc1SC,IIDTWFZGEDVJNG-UHFFFAOYSA-N
-rxn:5:190001:223284:226058,CC(C)c1cccc(C(C)C)c1-c1ccc(CC(=O)N2CCCCC2)cc1-c1ccc(NS(C)(=O)=O)cc1,BLBCVWHWSAWCCW-UHFFFAOYSA-N
-rxn:5:190001:226159:227052,CC(C)(C)Sc1ccc(-c2ccc(CC(=O)N3CCCCC3)cc2-c2cccc(N3CCCCC3)c2)cc1,KEEYAHRHPFQFAZ-UHFFFAOYSA-N
-rxn:5:190128:225394:228714,COC1CCN(C(=O)c2ccc(-c3cc(C4CCC4)cc(C4CC4)c3)c(-c3cnc(C#N)cc3C)c2)CC1,DXTHWZLUAOWCGQ-UHFFFAOYSA-N
-rxn:5:190132:223294:227906,CCC(C)c1ncccc1-c1cc(-c2csc(N3CCNCC3)n2)ccc1C(=O)N1CCC(OC)CC1,KMYCXAWOYAHWRS-UHFFFAOYSA-N
-rxn:5:190132:228184:226064,COc1ccc(-c2ccc(C(=O)N3CCC(OC)CC3)c(-c3ccc(C4CCCCC4)cc3)c2)cc1SC,IITKDXLHATUJQT-UHFFFAOYSA-N
-rxn:5:190194:223138:227710,COC1CCN(Cc2cccc(-c3ccnc(C4CCNCC4)c3)c2-c2ccc(OS(C)(=O)=O)cc2)CC1,DIRRZJJQHDBNAL-UHFFFAOYSA-N
-rxn:5:190194:225453:228277,COc1ccc(F)c(C)c1-c1c(CN2CCC(OC)CC2)cccc1-c1cccc(SC2CCCCC2)c1,DOPRAZWBFWWTJS-UHFFFAOYSA-N
-rxn:5:190194:225453:228336,COc1ncc(-c2c(CN3CCC(OC)CC3)cccc2-c2cccc(SC3CCCCC3)c2)cc1SC,MOEIUFPUBSKLPS-UHFFFAOYSA-N
-rxn:5:190194:227364:225453,COc1ccc(-c2cccc(CN3CCC(OC)CC3)c2-c2cccc(SC3CCCCC3)c2)c(OC)c1C,MUWPLQFBZSMONJ-UHFFFAOYSA-N
-rxn:5:190194:227710:223138,COC1CCN(Cc2cccc(-c3ccc(OS(C)(=O)=O)cc3)c2-c2ccnc(C3CCNCC3)c2)CC1,QMJIBTRCZUXKKZ-UHFFFAOYSA-N
-rxn:5:190195:225976:222417,CC(C)c1[nH]c(=O)ncc1-c1cc(CN(C)C2CCOCC2)ccc1-c1ccnc(N2CCOCC2)c1F,WWRQMTKLPXKLNT-UHFFFAOYSA-N
-rxn:5:190195:227766:223002,CCn1nc(C(F)(F)F)cc1-c1ccc(CN(C)C2CCOCC2)cc1-c1ccc(C2CCNCC2)cc1F,BKYAZKCRIYQGOH-UHFFFAOYSA-N
-rxn:5:190197:226583:222417,CC(C)c1[nH]c(=O)ncc1-c1ccc(CN(C)C2CCOCC2)c(-c2ccc(CN3CCOCC3)s2)c1,YCVBILKFXXDQMH-UHFFFAOYSA-N
-rxn:5:190200:225656:227063,Cc1ccc(-c2cc(CN(C)C3CCOCC3)cc(-c3cncc(N4CCCCC4C)c3)c2)c(OC(C)C)c1,DPJHDTYJSVUFTD-UHFFFAOYSA-N
-rxn:5:190201:228469:226051,Cc1ncc([N+](=O)[O-])cc1-c1ccc(-c2c(OC(F)(F)F)ccc(F)c2F)c(CCN2CCOC(C)C2)c1,MZBBPVGRXHKPGN-UHFFFAOYSA-N
-rxn:5:190231:225641:223062,COc1c(-c2ccnc(N3CCCC(C)C3)c2)cc(C(=O)N2CCOC(C)C2)cc1-c1cnc(C2CCNCC2)cc1F,LSHUOLFKYSKERH-UHFFFAOYSA-N
-rxn:5:190231:225941:228160,CCOc1cccc(F)c1-c1cc(C(=O)N2CCOC(C)C2)cc(-c2cnc(C3CC3)c(C(F)(F)F)c2)c1OC,WVNCNQCFJBPCPX-UHFFFAOYSA-N
-rxn:5:190264:225440:225886,CC1CCN(C(=O)Cc2ccc(-c3ccc4c(ccn4S(C)(=O)=O)c3)c(-c3ccc(C4(C#N)CCCC4)cc3)c2)CC1,DSUVDAAXOIDYOB-UHFFFAOYSA-N
-rxn:5:190264:225453:228615,CSc1ccc(C)cc1-c1ccc(CC(=O)N2CCC(C)CC2)cc1-c1cccc(SC2CCCCC2)c1,SAPMPMDZOSBOFI-UHFFFAOYSA-N
-rxn:5:190264:226583:223352,CC1CCN(C(=O)Cc2ccc(-c3ccc(NC(C)C)nc3)c(-c3ccc(CN4CCOCC4)s3)c2)CC1,GEQBWKOTERARLY-UHFFFAOYSA-N
-rxn:5:190265:223313:226854,COc1ccc(F)c(-c2ccc(CC(=O)N3CCCC(C)C3)cc2-c2ccc(C3(O)CC3)cc2)c1[N+](=O)[O-],WKKJJVDKOOERCD-UHFFFAOYSA-N
-rxn:5:190265:227724:223286,CC1CCCN(C(=O)Cc2ccc(-c3cccc(NS(C)(=O)=O)c3)c(-c3cc(OC(F)F)ccc3F)c2)C1,IGIFYFGJYHWQBK-UHFFFAOYSA-N
-rxn:5:190335:227052:227815,CCC(C)c1ccccc1-c1cc(C(=O)N2CCCCC2C)cc(-c2ccc(SC(C)(C)C)cc2)c1OC,ULGFUQSGWWTSBN-UHFFFAOYSA-N
-rxn:5:190404:222993:226346,Cc1cc(OC(C)C)c(F)c(-c2ccccc2C2CCN(C(=O)c3ccc(-c4cccc(N5CCCCC5O)c4)o3)CCS2)c1,QRVNYGBCLJCDSV-UHFFFAOYSA-N
-rxn:5:190421:226777:226323,Cc1cc(-c2ccc(-c3ccc(C=C4SC(=S)N(c5cccc(-c6ccc(OC7CCCC7)nc6)c5)C4=O)o3)cc2)cc(OC(F)F)c1F,GJOOYWSDZRLQQF-UHFFFAOYSA-N
-rxn:5:190459:223082:227065,CNS(=O)(=O)c1c(C)cc(-c2ccccc2C(=O)N2CCSC(c3ccccc3-c3cccc(C(=O)C(C)C)c3)CC2)cc1C,DEARCTYJNZFJTR-UHFFFAOYSA-N
-rxn:5:190484:222959:228965,Cc1cc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4ccc([N+](=O)[O-])nc4)S(=O)(=O)CC3)c2)ccc1C1CCNCC1,WKBFKMCMKVMSHX-UHFFFAOYSA-N
-rxn:5:190484:223141:228895,O=C(c1cccc(-c2cncc(C3CCNCC3)c2)c1)N1CCC(c2ccccc2-c2ccc([N+](=O)[O-])cc2)S(=O)(=O)CC1,FUMXIKKCZUMLQN-UHFFFAOYSA-N
-rxn:5:190484:226183:227983,C[Si](C)(C)c1ccccc1-c1ccccc1C1CCN(C(=O)c2cccc(-c3cnccc3C3CCCCC3)c2)CCS1(=O)=O,YSAGZSRLBBBFOL-UHFFFAOYSA-N
-rxn:5:190484:226589:227829,CC(C)c1cnc(C(F)F)cc1-c1cccc(C(=O)N2CCC(c3ccccc3-c3ccccc3C3CCC3)S(=O)(=O)CC2)c1,QTSNKCWPVLFQFI-UHFFFAOYSA-N
-rxn:5:190484:226662:223311,CN1CCN(c2ccc(-c3cccc(C(=O)N4CCC(c5ccccc5-c5cccc(C6CNC6)c5)S(=O)(=O)CC4)c3)s2)CC1,LSVBFJCXQGMRQJ-UHFFFAOYSA-N
-rxn:5:190484:227706:227808,COc1cnc(C(F)F)c(-c2cccc(C(=O)N3CCC(c4ccccc4-c4ccc5c(c4)CCCC5)S(=O)(=O)CC3)c2)c1,QXFIEWGTMBCHKM-UHFFFAOYSA-N
-rxn:5:190586:225833:225607,CCOC(=O)c1cc2c(-c3ccnc(N4CCCCC4)c3F)c(-c3ccc(C(C)N4CCCCC4)s3)ccc2[nH]1,IYAKJYSJLOYEQU-UHFFFAOYSA-N
-rxn:5:190645:225607:223062,CCOC(=O)c1cnc2ccc(-c3ccc(C(C)N4CCCCC4)s3)cc2c1-c1cnc(C2CCNCC2)cc1F,JPPJYMAGVYRHMI-UHFFFAOYSA-N
-rxn:5:190645:225805:223061,CCOC(=O)c1cnc2ccc(-c3ccc(C(C)N4CCOCC4)s3)cc2c1-c1cc(C2CCNCC2)ncc1F,RSQMQAYTYNGOKT-UHFFFAOYSA-N
-rxn:5:190645:225805:223062,CCOC(=O)c1cnc2ccc(-c3ccc(C(C)N4CCOCC4)s3)cc2c1-c1cnc(C2CCNCC2)cc1F,WZROSJGCVRJJHT-UHFFFAOYSA-N
-rxn:5:190645:225805:225833,CCOC(=O)c1cnc2ccc(-c3ccc(C(C)N4CCOCC4)s3)cc2c1-c1ccnc(N2CCCCC2)c1F,OCGWYCGMCMJGRI-UHFFFAOYSA-N
-rxn:5:190645:225849:225607,CCOC(=O)c1cnc2ccc(-c3cnc(N4CCCCC4)cc3F)cc2c1-c1ccc(C(C)N2CCCCC2)s1,NDIKTFRYOCKRSE-UHFFFAOYSA-N
-rxn:5:190646:223063:225607,CCOC(=O)c1cnc2c(-c3cc(F)nc(C4CCNCC4)c3)cccc2c1-c1ccc(C(C)N2CCCCC2)s1,YHKBQZWCWFTOLS-UHFFFAOYSA-N
-rxn:5:190646:225833:225607,CCOC(=O)c1cnc2c(-c3ccnc(N4CCCCC4)c3F)cccc2c1-c1ccc(C(C)N2CCCCC2)s1,UGVKSSTYXGNONN-UHFFFAOYSA-N
-rxn:5:190647:223062:225607,CCOC(=O)c1cc(-c2ccc(C(C)N3CCCCC3)s2)nc2cc(-c3cnc(C4CCNCC4)cc3F)ccc12,XFWJFXJGRONPSU-UHFFFAOYSA-N
-rxn:5:190649:225607:223062,CCOC(=O)c1cnc2cc(-c3ccc(C(C)N4CCCCC4)s3)ccc2c1-c1cnc(C2CCNCC2)cc1F,NWAFZEBBUDCDCD-UHFFFAOYSA-N
-rxn:5:190649:225805:223061,CCOC(=O)c1cnc2cc(-c3ccc(C(C)N4CCOCC4)s3)ccc2c1-c1cc(C2CCNCC2)ncc1F,ZKKFSIPCKMTBNB-UHFFFAOYSA-N
-rxn:5:190649:225805:223062,CCOC(=O)c1cnc2cc(-c3ccc(C(C)N4CCOCC4)s3)ccc2c1-c1cnc(C2CCNCC2)cc1F,GHBLVHNDYPQMIV-UHFFFAOYSA-N
-rxn:5:190649:225805:225833,CCOC(=O)c1cnc2cc(-c3ccc(C(C)N4CCOCC4)s3)ccc2c1-c1ccnc(N2CCCCC2)c1F,STMQJYUKHTVREU-UHFFFAOYSA-N
-rxn:5:190650:223062:225607,CCOC(=O)c1cnc2ccc(-c3ccc(C(C)N4CCCCC4)s3)cc2c1-c1cnc(C2CCNCC2)cc1F,JPPJYMAGVYRHMI-UHFFFAOYSA-N
-rxn:5:190650:223064:225607,CCOC(=O)c1cnc2ccc(-c3ccc(C(C)N4CCCCC4)s3)cc2c1-c1ccc(C2CCNCC2)nc1F,TYZRVEJSTCUDQW-UHFFFAOYSA-N
-rxn:5:190651:223002:225607,CCOC(=O)c1cc(-c2ccc(C3CCNCC3)cc2F)c2nccc(-c3ccc(C(C)N4CCCCC4)s3)c2c1,BETWTJURONDLLA-UHFFFAOYSA-N
-rxn:5:190651:225834:225607,CCOC(=O)c1cc(-c2cc(N3CCCCC3)ncc2F)c2nccc(-c3ccc(C(C)N4CCCCC4)s3)c2c1,VYEXIVBONUWULN-UHFFFAOYSA-N
-rxn:5:190711:225982:226661,CCOC(=O)c1c(-c2cc(N3CCN(C)CC3)cs2)c2cc(-c3cnc(N4CCOCC4)cc3F)ccc2n1C,HWJICKRWVVQCGI-UHFFFAOYSA-N
-rxn:5:190740:223006:225633,CCOC(=O)c1cnc2c(C)cc(-c3ccc(F)c(C4CCNCC4)c3)cc2c1-c1ccc(N2CCCCCC2)nc1,CADOHOBOARZMNU-UHFFFAOYSA-N
-rxn:5:190740:223064:223062,CCOC(=O)c1cnc2c(C)cc(-c3ccc(C4CCNCC4)nc3F)cc2c1-c1cnc(C2CCNCC2)cc1F,DBTLCTVFLACHOW-UHFFFAOYSA-N
-rxn:5:190740:225638:225833,CCOC(=O)c1cnc2c(C)cc(-c3ccc(N4CCC(C)CC4)nc3)cc2c1-c1ccnc(N2CCCCC2)c1F,CROFHHXZQUNIEV-UHFFFAOYSA-N
-rxn:5:190740:225638:225849,CCOC(=O)c1cnc2c(C)cc(-c3ccc(N4CCC(C)CC4)nc3)cc2c1-c1cnc(N2CCCCC2)cc1F,SYIMTUBZRCGYRA-UHFFFAOYSA-N
-rxn:5:190740:225980:223056,CCOC(=O)c1cnc2c(C)cc(-c3cc(N4CCOCC4)ncc3F)cc2c1-c1ccc(N2CCC(O)CC2)nc1,QKYOETVHAQCOEV-UHFFFAOYSA-N
-rxn:5:190740:226654:225833,CCOC(=O)c1cnc2c(C)cc(-c3csc(N4CCC(C)CC4)n3)cc2c1-c1ccnc(N2CCCCC2)c1F,OMEBSJAHIILRMA-UHFFFAOYSA-N
-rxn:5:190741:225633:225976,CCOC(=O)c1cnc2c(-c3ccc(N4CCCCCC4)nc3)cc(C)cc2c1-c1ccnc(N2CCOCC2)c1F,JVUVOWGWERKYAU-UHFFFAOYSA-N
-rxn:5:190741:225833:225633,CCOC(=O)c1cnc2c(-c3ccnc(N4CCCCC4)c3F)cc(C)cc2c1-c1ccc(N2CCCCCC2)nc1,PTAUCDCEJVZBRJ-UHFFFAOYSA-N
-rxn:5:190741:225834:225633,CCOC(=O)c1cnc2c(-c3cc(N4CCCCC4)ncc3F)cc(C)cc2c1-c1ccc(N2CCCCCC2)nc1,JMJLRMLHRHJQKY-UHFFFAOYSA-N
-rxn:5:190741:225834:225639,CCOC(=O)c1cnc2c(-c3cc(N4CCCCC4)ncc3F)cc(C)cc2c1-c1cccnc1N1CCC(C)CC1,CZQNTMWCOMVOLA-UHFFFAOYSA-N
-rxn:5:190741:225849:225641,CCOC(=O)c1cnc2c(-c3cnc(N4CCCCC4)cc3F)cc(C)cc2c1-c1ccnc(N2CCCC(C)C2)c1,VUQUZSBNVZWLDM-UHFFFAOYSA-N
-rxn:5:190742:222990:225833,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(N4CCC(O)CC4)cc3)c2c1-c1ccnc(N2CCCCC2)c1F,VJGWHNZRKREGMZ-UHFFFAOYSA-N
-rxn:5:190742:223062:225803,CCOC(=O)c1cnc2c(C)ccc(-c3cnc(C4CCNCC4)cc3F)c2c1-c1ccnc(OC2CCOCC2)c1,RCRGXZAJKZDGCY-UHFFFAOYSA-N
-rxn:5:190742:225633:225976,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(N4CCCCCC4)nc3)c2c1-c1ccnc(N2CCOCC2)c1F,XCVSAOTWRXRTDN-UHFFFAOYSA-N
-rxn:5:190742:225633:225982,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(N4CCCCCC4)nc3)c2c1-c1cnc(N2CCOCC2)cc1F,ZLDZXMKHJFYVFH-UHFFFAOYSA-N
-rxn:5:190742:225638:225849,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(N4CCC(C)CC4)nc3)c2c1-c1cnc(N2CCCCC2)cc1F,SXUWAQVRZCTIGB-UHFFFAOYSA-N
-rxn:5:190742:225834:225641,CCOC(=O)c1cnc2c(C)ccc(-c3cc(N4CCCCC4)ncc3F)c2c1-c1ccnc(N2CCCC(C)C2)c1,XPIIKYALDNMMHM-UHFFFAOYSA-N
-rxn:5:190742:225834:225655,CCOC(=O)c1cnc2c(C)ccc(-c3cc(N4CCCCC4)ncc3F)c2c1-c1cncc(N2CCC(C)CC2)c1,OMJGOZDKLFGLEJ-UHFFFAOYSA-N
-rxn:5:190742:225976:223056,CCOC(=O)c1cnc2c(C)ccc(-c3ccnc(N4CCOCC4)c3F)c2c1-c1ccc(N2CCC(O)CC2)nc1,JDIAKVQJGZMIRG-UHFFFAOYSA-N
-rxn:5:190742:225980:225834,CCOC(=O)c1cnc2c(C)ccc(-c3cc(N4CCOCC4)ncc3F)c2c1-c1cc(N2CCCCC2)ncc1F,RLVGJMCPNZIWBE-UHFFFAOYSA-N
-rxn:5:190742:225982:226662,CCOC(=O)c1cnc2c(C)ccc(-c3cnc(N4CCOCC4)cc3F)c2c1-c1ccc(N2CCN(C)CC2)s1,ZGBHJBQRTSLQTQ-UHFFFAOYSA-N
-rxn:5:190742:226654:225679,CCOC(=O)c1cnc2c(C)ccc(-c3csc(N4CCC(C)CC4)n3)c2c1-c1ccc(N2CCCCC2)cc1F,YCVDFLODYPOCSK-UHFFFAOYSA-N
-rxn:5:190742:226654:225834,CCOC(=O)c1cnc2c(C)ccc(-c3csc(N4CCC(C)CC4)n3)c2c1-c1cc(N2CCCCC2)ncc1F,NSZAQQAFFGWJQY-UHFFFAOYSA-N
-rxn:5:190743:222994:225833,CCOC(=O)c1cnc2c(C)c(-c3cccc(N4CCC(O)CC4)c3)ccc2c1-c1ccnc(N2CCCCC2)c1F,JPATWSSQLYLUPG-UHFFFAOYSA-N
-rxn:5:190743:223006:225633,CCOC(=O)c1cnc2c(C)c(-c3ccc(F)c(C4CCNCC4)c3)ccc2c1-c1ccc(N2CCCCCC2)nc1,HDFNGVBXNHHSPB-UHFFFAOYSA-N
-rxn:5:190743:223062:223064,CCOC(=O)c1cnc2c(C)c(-c3cnc(C4CCNCC4)cc3F)ccc2c1-c1ccc(C2CCNCC2)nc1F,JLXIXESDRQLXRU-UHFFFAOYSA-N
-rxn:5:190743:223064:225633,CCOC(=O)c1cnc2c(C)c(-c3ccc(C4CCNCC4)nc3F)ccc2c1-c1ccc(N2CCCCCC2)nc1,OALCJNSXBABYEW-UHFFFAOYSA-N
-rxn:5:190743:225633:225833,CCOC(=O)c1cnc2c(C)c(-c3ccc(N4CCCCCC4)nc3)ccc2c1-c1ccnc(N2CCCCC2)c1F,RRRNRHXKZYMPJE-UHFFFAOYSA-N
-rxn:5:190743:225633:225976,CCOC(=O)c1cnc2c(C)c(-c3ccc(N4CCCCCC4)nc3)ccc2c1-c1ccnc(N2CCOCC2)c1F,BSKLQLQFXOPVNN-UHFFFAOYSA-N
-rxn:5:190743:225653:225833,CCOC(=O)c1cnc2c(C)c(-c3ccc(N4CCCCC4C)nc3)ccc2c1-c1ccnc(N2CCCCC2)c1F,BAVWEJWYBBEGSJ-UHFFFAOYSA-N
-rxn:5:190743:225674:223056,CCOC(=O)c1cnc2c(C)c(-c3cnc(C4CCCCC4)cc3F)ccc2c1-c1ccc(N2CCC(O)CC2)nc1,RUPXFXZOKGPOTB-UHFFFAOYSA-N
-rxn:5:190743:225833:225633,CCOC(=O)c1cnc2c(C)c(-c3ccnc(N4CCCCC4)c3F)ccc2c1-c1ccc(N2CCCCCC2)nc1,KVEXSWCXSCXZGQ-UHFFFAOYSA-N
-rxn:5:190743:225849:223058,CCOC(=O)c1cnc2c(C)c(-c3cnc(N4CCCCC4)cc3F)ccc2c1-c1cc(F)nc(C2CCCNC2)c1,PZNZSOMGPWFOAO-UHFFFAOYSA-N
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-rxn:5:190743:225982:225982,CCOC(=O)c1cnc2c(C)c(-c3cnc(N4CCOCC4)cc3F)ccc2c1-c1cnc(N2CCOCC2)cc1F,YUZJVKJNESJZIG-UHFFFAOYSA-N
-rxn:5:190744:223008:225633,CCOC(=O)c1cnc2c(-c3cc(C4CCNCC4)ccc3F)c(C)ccc2c1-c1ccc(N2CCCCCC2)nc1,OBNLVZXBRNWWAJ-UHFFFAOYSA-N
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-rxn:5:190744:225639:225671,CCOC(=O)c1cnc2c(-c3cccnc3N3CCC(C)CC3)c(C)ccc2c1-c1cc(C2CCCCC2)ncc1F,SCVCKKZLWNDMRF-UHFFFAOYSA-N
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-rxn:5:190744:225677:223061,CCOC(=O)c1cnc2c(-c3ccc(C4CCCCC4)nc3F)c(C)ccc2c1-c1cc(C2CCNCC2)ncc1F,IQHREGJJQRGEDF-UHFFFAOYSA-N
-rxn:5:190744:225834:225656,CCOC(=O)c1cnc2c(-c3cc(N4CCCCC4)ncc3F)c(C)ccc2c1-c1cncc(N2CCCCC2C)c1,ONGYWGDXZFNBKS-UHFFFAOYSA-N
-rxn:5:190744:225982:225980,CCOC(=O)c1cnc2c(-c3cnc(N4CCOCC4)cc3F)c(C)ccc2c1-c1cc(N2CCOCC2)ncc1F,OORBQSKGFZOIES-UHFFFAOYSA-N
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-rxn:5:190859:225464:227717,CC1CCCN(c2cccc(-c3ccc4c(c3-c3ccc(F)cc3OC(F)F)CCN4C(=O)OC(C)(C)C)c2)C1,OPWRMJQMRLRVAA-UHFFFAOYSA-N
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-rxn:5:191026:227076:227863,CCC(C)c1ccc(F)c(-c2ccc3c(c2)N(c2ccc(C)c(-c4ccc5c(c4)CCCO5)c2)C=C(C(=O)OC)S3(=O)=O)c1,PJTGXNYXSBETJU-UHFFFAOYSA-N
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-rxn:5:193230:226664:226366,O=C(c1ccc(-c2cc(N3CCCC3)ncc2F)cc1-c1ccnc(N2CCCCC2)c1)N1CCOCC1,QGTWMZOJLKJYMD-UHFFFAOYSA-N
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-rxn:5:193335:223134:226686,Cc1cnn(C2CCCCO2)c1-c1cccc(-c2cnccc2C2CCCNC2)c1CN1CCOCC1,NKZDFHLHUBCGLJ-UHFFFAOYSA-N
-rxn:5:193335:226150:226686,Cc1cnn(C2CCCCO2)c1-c1cccc(-c2cccc(SC3CCCC3)c2)c1CN1CCOCC1,DTHYXOSAYCVVMB-UHFFFAOYSA-N
-rxn:5:193382:222958:225880,Cc1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3cc(C4CCOCC4)ncc3F)c2)cc1C1CCNCC1,LSWYKZDIBQWUKM-UHFFFAOYSA-N
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-rxn:5:193382:222985:227432,Cc1nc(C2CCCNC2)ccc1-c1ccc(S(=O)(=O)N2CCOCC2)c(-c2ccc(C3COC3)nc2C)c1,KJEDOTVWYUBIMI-UHFFFAOYSA-N
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-rxn:5:193382:222987:223002,Cc1nc(C2CCNCC2)ccc1-c1ccc(S(=O)(=O)N2CCOCC2)c(-c2ccc(C3CCNCC3)cc2F)c1,YLHFFZAXRZNVTD-UHFFFAOYSA-N
-rxn:5:193382:222987:223148,Cc1nc(C2CCNCC2)ccc1-c1ccc(S(=O)(=O)N2CCOCC2)c(-c2ccccc2C2CNCCO2)c1,VSGCULPPRNSWRY-UHFFFAOYSA-N
-rxn:5:193382:223000:226411,O=S(=O)(c1ccc(-c2ccc(C3CCCNC3)c(F)c2)cc1-c1ccc(N2CCOCC2)cc1)N1CCOCC1,KEPGHKJVAWTPMF-UHFFFAOYSA-N
-rxn:5:193382:223001:222986,Cc1cc(-c2cc(-c3cc(C4CCCNC4)ccc3F)ccc2S(=O)(=O)N2CCOCC2)cc(C2CCCNC2)n1,PEMBENPAERMASK-UHFFFAOYSA-N
-rxn:5:193382:223061:227437,O=S(=O)(c1ccc(-c2cc(C3CCNCC3)ncc2F)cc1-c1ccnc(C2CCCO2)c1)N1CCOCC1,WYFDQKUDMBAFCM-UHFFFAOYSA-N
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-rxn:5:193382:223147:223285,CS(=O)(=O)Nc1ccccc1-c1cc(-c2ccc(C3CNCCO3)cc2)ccc1S(=O)(=O)N1CCOCC1,CDVJMHRVJKMHBV-UHFFFAOYSA-N
-rxn:5:193382:223199:226644,O=S(=O)(c1ccc(-c2cccc(C3CCNC3)c2)cc1-c1cncc(N2CCOCC2)c1)N1CCOCC1,UGTKIWZKKVEWCN-UHFFFAOYSA-N
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-rxn:5:193382:225657:226645,Cc1cc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3ccnc(N4CCOCC4)c3)c2)ccc1N1CCOCC1,BTOCWMHAGHITGN-UHFFFAOYSA-N
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-rxn:5:193382:226645:227387,O=S(=O)(c1ccc(-c2ccnc(N3CCOCC3)c2)cc1-c1ccnc(N2CCCC2)c1)N1CCOCC1,PNSHSDCNYUIPRV-UHFFFAOYSA-N
-rxn:5:193382:226654:227710,CC1CCN(c2nc(-c3ccc(S(=O)(=O)N4CCOCC4)c(-c4ccc(OS(C)(=O)=O)cc4)c3)cs2)CC1,NDAPYNKOXKEBID-UHFFFAOYSA-N
-rxn:5:193382:228703:225982,O=S(=O)(c1ccc(-c2cnn(C3CCC3)c2)cc1-c1cnc(N2CCOCC2)cc1F)N1CCOCC1,YHPXDEOJWSACCO-UHFFFAOYSA-N
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-rxn:5:193461:223054:228490,CC(c1ccc(-c2ccc(C(=O)N3CCCCC3)c(-c3cccc(S(=O)(=O)F)c3)c2)s1)N1CCC(O)C1,KTNMLBZARYDVKF-UHFFFAOYSA-N
-rxn:5:193464:223064:228100,CCCn1nc(C)c(-c2cc(-c3ccc(C4CCNCC4)nc3F)ccc2C2(C#N)CCCCC2)c1C,YDMONSYCRVGBEE-UHFFFAOYSA-N
-rxn:5:193464:227052:225987,CC(C)(C)Sc1ccc(-c2ccc(C3(C#N)CCCCC3)c(-c3ccc(N4CCCS4(=O)=O)cc3)c2)cc1,BNZXMLXDYZAPHI-UHFFFAOYSA-N
-rxn:5:193506:223285:227657,CS(=O)(=O)Nc1ccccc1-c1ccc(S(=O)(=O)N2CCC(=O)CC2)c(-c2ccc(N3CCOCC3)s2)c1,DGGRSLLLPOGLCP-UHFFFAOYSA-N
-rxn:5:193506:226661:223311,CN1CCN(c2csc(-c3ccc(S(=O)(=O)N4CCC(=O)CC4)c(-c4cccc(C5CNC5)c4)c3)c2)CC1,RRNPCRCMDQYUMV-UHFFFAOYSA-N
-rxn:5:193506:229148:225597,O=C1CCN(S(=O)(=O)c2ccc(-c3cnn(CCF)c3)cc2-c2ccc(OC3CCCCC3)nc2)CC1,IHBVZRIQQOXGIK-UHFFFAOYSA-N
-rxn:5:193539:226649:226686,Cc1cnn(C2CCCCO2)c1-c1cc(CN2CCCCC2)ccc1-c1cccnc1N1CCOCC1,IIZUKSZVLBQULP-UHFFFAOYSA-N
-rxn:5:193748:223189:226912,Cc1cc(CC(C)C)cc(-c2ccc(-c3ccc(NS(C)(=O)=O)cc3F)cc2C(=O)N2CCCC(C)C2)c1,SGFKWVZTVVBIJC-UHFFFAOYSA-N
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-rxn:5:193752:223289:226062,CNS(=O)(=O)c1ccccc1-c1ccc(C(=O)N2CCCC(C)C2)cc1-c1cc(C(C)C)cc(C(C)C)c1,JUOSMQHAJMONNI-UHFFFAOYSA-N
-rxn:5:193752:225498:225886,CC1CCCN(C(=O)c2ccc(-c3cc(C4CCCCC4)ccc3F)c(-c3ccc4c(ccn4S(C)(=O)=O)c3)c2)C1,MRCVSIUPKVSPLW-UHFFFAOYSA-N
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-rxn:5:193756:225640:225849,CC1CCCCN1C(=O)c1ccc(-c2ccnc(N3CCCCC3C)c2)cc1-c1cnc(N2CCCCC2)cc1F,VXBRZBPVWHVXDB-UHFFFAOYSA-N
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-rxn:5:193756:226176:226842,CC1CCCCN1C(=O)c1ccc(-c2ccncc2C2CCCCC2)cc1-c1cncc(C(=O)C(F)(F)F)c1,ANPAHLXIXKKJGI-UHFFFAOYSA-N
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-rxn:5:193807:226686:227444,Cc1cnn(C2CCCCO2)c1-c1c(CN2CCC(C)CC2)cccc1-c1cncc(C2CCCO2)c1,GWLPCOMUOVZSDA-UHFFFAOYSA-N
-rxn:5:193807:227710:223062,CC1CCN(Cc2cccc(-c3cnc(C4CCNCC4)cc3F)c2-c2ccc(OS(C)(=O)=O)cc2)CC1,WYRRAOHQKPUERY-UHFFFAOYSA-N
-rxn:5:193807:227710:223063,CC1CCN(Cc2cccc(-c3cc(F)nc(C4CCNCC4)c3)c2-c2ccc(OS(C)(=O)=O)cc2)CC1,RPQYIZZQIOUJHO-UHFFFAOYSA-N
-rxn:5:193808:223062:227710,CC1CCN(Cc2cc(-c3cnc(C4CCNCC4)cc3F)ccc2-c2ccc(OS(C)(=O)=O)cc2)CC1,VUNXKFFQTPKHKE-UHFFFAOYSA-N
-rxn:5:193808:226686:226918,Cc1cnn(C2CCCCO2)c1-c1ccc(-c2ccc(C3=CCCC3)cc2)c(CN2CCC(C)CC2)c1,BTKJJXLTYKUPSO-UHFFFAOYSA-N
-rxn:5:193808:227710:223062,CC1CCN(Cc2cc(-c3ccc(OS(C)(=O)=O)cc3)ccc2-c2cnc(C3CCNCC3)cc2F)CC1,LEJICJMBRUADRF-UHFFFAOYSA-N
-rxn:5:193809:227710:223062,CC1CCN(Cc2ccc(-c3ccc(OS(C)(=O)=O)cc3)cc2-c2cnc(C3CCNCC3)cc2F)CC1,PPSHBOKTGDVUMT-UHFFFAOYSA-N
-rxn:5:193866:227371:227047,COc1c(C)ccc(-c2ccc(C3(N4CCC(=O)CC4)CC3)cc2-c2cccc(SC3CCC3)c2)c1OC,NTXMYJDHDYDKSE-UHFFFAOYSA-N
-rxn:5:193866:227922:226341,CCc1cc(OC)ccc1-c1ccc(C2(N3CCC(=O)CC3)CC2)cc1-c1cc(C(C)C)c(F)cc1OC,YCGDMJRQUPWNAK-UHFFFAOYSA-N
-rxn:5:193866:228003:226069,CSc1cc(C)c(-c2ccc(C3(N4CCC(=O)CC4)CC3)cc2-c2cccc(C3CCCCC3)c2)c(C)c1,TXGFZIXPHUPPKC-UHFFFAOYSA-N
-rxn:5:193868:227065:223286,CC1CN(C(=O)c2cc(-c3cccc(C(=O)C(C)C)c3)ccc2-c2cccc(NS(C)(=O)=O)c2)CC(C)O1,CPWAOHFBSBRFNE-UHFFFAOYSA-N
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-rxn:5:193869:227052:227045,Cc1cc(-c2ccc(SC(C)(C)C)cc2)c(S(=O)(=O)N2CCCCC2)cc1-c1cccc(SC(C)(C)C)c1,UGLWUKQITMBAND-UHFFFAOYSA-N
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-rxn:5:193870:223355:226429,CNC(=O)c1ccccc1-c1cc(-c2ccc(N3CCCC(C)C3)s2)c(S(=O)(=O)N2CCCCC2)cc1C,OZTPIWPFBSQUBW-UHFFFAOYSA-N
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-rxn:5:193871:223285:227079,CC(C)Cc1ccc(F)c(-c2ccc(C(=O)N3CCC4(CC3)CC4)cc2-c2ccccc2NS(C)(=O)=O)c1,NUBXYEUWAUJLJH-UHFFFAOYSA-N
-rxn:5:193871:226347:226654,Cc1cc(-c2cc(C(=O)N3CCC4(CC3)CC4)ccc2-c2csc(N3CCC(C)CC3)n2)c(OC(C)C)cc1F,VKJGGDXAXLVLFF-UHFFFAOYSA-N
-rxn:5:193871:226413:225600,O=C(c1ccc(-c2cccnc2OC2CCCCC2)c(-c2cccc(N3CCOCC3)c2)c1)N1CCC2(CC1)CC2,FHYLMZVVEOUYBE-UHFFFAOYSA-N
-rxn:5:193871:228003:226211,CSc1cc(C)c(-c2cc(C(=O)N3CCC4(CC3)CC4)ccc2-c2ccc3c(c2)CCN3C(C)=O)c(C)c1,UXCPAZLEJZXYPU-UHFFFAOYSA-N
-rxn:5:193871:228148:223183,CNS(=O)(=O)c1ccc(-c2ccc(C(=O)N3CCC4(CC3)CC4)cc2-c2cccc(OC)c2OC)c(C)c1,UCHBJNIXMYWNII-UHFFFAOYSA-N
-rxn:5:193972:223062:228570,Cc1cc(-c2cnc(C3CCNCC3)cc2F)c(S(=O)(=O)N2CCCCCC2)cc1-c1cncc(C2CC2)c1,CRJCWJPIFBCZHQ-UHFFFAOYSA-N
-rxn:5:193972:226762:229088,CSc1cc(-c2cc(C)c(-c3cc(C(C)=O)cs3)cc2S(=O)(=O)N2CCCCCC2)cc(C(F)(F)F)c1,RZAPPSDRRQEYEI-UHFFFAOYSA-N
-rxn:5:193972:228344:227426,Cc1cc(-c2ccc(SC(F)F)cc2)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc(C2CCCO2)nc1,UCTNJVRXLKNYBH-UHFFFAOYSA-N
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-rxn:5:193972:228437:227048,Cc1cc(-c2ccc(C(F)F)cc2F)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc(C(=O)C(C)C)cc1,OESQBWNBQOUGMP-UHFFFAOYSA-N
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-rxn:5:194688:226794:225982,COc1cc(-c2cnc(N3CCOCC3)cc2F)cc2c1OCC(=O)N(c1ccc(-c3cnc(N4CCSCC4)nc3)cc1)C2,TVOAVXHPNRNSTG-UHFFFAOYSA-N
-rxn:5:194733:225808:228321,COC(=O)c1cncc(-c2ccc(-c3cc(OC4CCCC4)ncc3F)cc2C(=O)N2C3CCC2CC(=C2CC2)C3)c1,YGCRQOGMNXOICL-UHFFFAOYSA-N
-rxn:5:194767:222417:225881,CC(C)c1[nH]c(=O)ncc1-c1ccc(-c2ccc(C3CCOCC3)nc2F)c(C(=O)N2CCCC3(C2)OC(=O)c2ccccc23)c1,DQIPAOKOXSQCEC-UHFFFAOYSA-N
-rxn:5:194767:223006:222417,CC(C)c1[nH]c(=O)ncc1-c1ccc(-c2ccc(F)c(C3CCNCC3)c2)cc1C(=O)N1CCCC2(C1)OC(=O)c1ccccc12,JLYWUJOQRTVVSR-UHFFFAOYSA-N
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-rxn:5:194786:226329:225928,Cc1ccc(-c2ccc(-n3c(-c4ccc(-c5ccc(C6(C#N)CC6)c(F)c5)cc4)cc4c3CC(C)(C)CC4=O)cc2)cc1S(=O)(=O)N(C)C,DECZHTMZMDNXTL-UHFFFAOYSA-N
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-rxn:5:194792:227616:227670,Cc1cnn(-c2ccc(-c3ccc(C4OC5(C(=O)c6ccccc6C5=O)C5C(=O)N(c6ccc(-c7cc(F)cc(C(C)(F)F)c7)cc6)C(=O)C45)cc3)s2)c1,HJNHQBIFPBMUFI-UHFFFAOYSA-N
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-rxn:5:196188:225832:225639,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2cccnc2N2CCC(C)CC2)ccc1C1=NOCC1,PMRGDKUDUMKVQL-UHFFFAOYSA-N
-rxn:5:196408:222957:225514,Cc1cc(-c2cc(-c3cccc4c3OCC3(CC3)CO4)ccc2C2=NOCCO2)cc(C2CCCNC2)c1,JRRHFRJTHHBJQN-UHFFFAOYSA-N
-rxn:5:196408:226366:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(C2=NOCCO2)c(-c2ccnc(N3CCCCC3)c2)c1,DRSZBTMWJPXXCP-UHFFFAOYSA-N
-rxn:5:196789:225978:225655,CC1CCN(c2cncc(-c3cc(-c4ccc(N5CCOCC5)nc4F)ccc3N3CCOCC3=O)c2)CC1,OWVFIAXDKCHMAI-UHFFFAOYSA-N
-rxn:5:196789:225980:223294,O=C1COCCN1c1ccc(-c2cc(N3CCOCC3)ncc2F)cc1-c1csc(N2CCNCC2)n1,CBOJVJIXJGPAPZ-UHFFFAOYSA-N
-rxn:5:196790:223294:225980,O=C1COCCN1c1ccc(-c2cc(N3CCOCC3)ncc2F)cc1-c1csc(N2CCNCC2)n1,CBOJVJIXJGPAPZ-UHFFFAOYSA-N
-rxn:5:196791:225986:223142,O=C1COCCN1c1cccc(-c2ccccc2N2CCCS2(=O)=O)c1-c1ccc(C2CCCNC2)nc1,PBMGIIMRDLBGKE-UHFFFAOYSA-N
-rxn:5:196792:223294:225834,O=C1COCCN1c1cc(-c2cc(N3CCCCC3)ncc2F)ccc1-c1csc(N2CCNCC2)n1,SXISFMYQQWSNCP-UHFFFAOYSA-N
-rxn:5:196794:225834:223294,O=C1COCCN1c1cc(-c2cc(N3CCCCC3)ncc2F)ccc1-c1csc(N2CCNCC2)n1,SXISFMYQQWSNCP-UHFFFAOYSA-N
-rxn:5:196858:226428:222956,Cc1ccc(-c2cc(C3CCOCC3)ncc2-c2cc(N3CCCCC3C)cs2)c(C2CCCNC2)c1,QVWPWSSUXIVJMH-UHFFFAOYSA-N
-rxn:5:196859:222957:226686,Cc1cc(-c2c(C3CCOCC3)ccnc2-c2c(C)cnn2C2CCCCO2)cc(C2CCCNC2)c1,KVKLSSKHAUYLPW-UHFFFAOYSA-N
-rxn:5:196859:222958:225683,Cc1ccc(-c2c(C3CCOCC3)ccnc2-c2ccc(C3CCCOC3)nc2C)cc1C1CCNCC1,JMXKZKNMWUTKEB-UHFFFAOYSA-N
-rxn:5:196873:223146:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(N2CCOCC2)ccc1-c1cccc(C2CNCCO2)c1,SSKXCKBXBTUPOK-UHFFFAOYSA-N
-rxn:5:196873:225832:226374,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(N2CCOCC2)cc1-c1cncnc1C1CCCCC1,SWUPRZKSYODVIF-UHFFFAOYSA-N
-rxn:5:196969:225407:222960,Cc1cc(-c2cc(C3CCCCC3)ncc2-c2ccc(C3CCCCCC3)cc2)cc(C2CCNCC2)c1,IUWNHGMSHQEXFQ-UHFFFAOYSA-N
-rxn:5:196969:225636:225407,CC1CCN(c2cc(-c3cnc(C4CCCCC4)cc3-c3ccc(C4CCCCCC4)cc3)ccn2)CC1,AOAPFWCEVLYYOZ-UHFFFAOYSA-N
-rxn:5:196970:226182:225832,Cc1nn(C2CCCCO2)c(C)c1-c1nccc(C2CCCCC2)c1-c1cccnc1C1CCCCC1,PAXYRAQJZVYKGF-UHFFFAOYSA-N
-rxn:5:196970:226186:225832,Cc1nn(C2CCCCO2)c(C)c1-c1nccc(C2CCCCC2)c1-c1ccccc1C1CCOCC1,KOXVQBGOMDGVSP-UHFFFAOYSA-N
-rxn:5:196970:226686:225656,Cc1cnn(C2CCCCO2)c1-c1c(C2CCCCC2)ccnc1-c1cncc(N2CCCCC2C)c1,AVKMXKHSXFZDCR-UHFFFAOYSA-N
-rxn:5:197876:223263:225453,CNC(=O)c1ccc(F)c(-c2cc3c(cc2-c2cccc(SC4CCCCC4)c2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,BSNREMOTJGUGAG-UHFFFAOYSA-N
-rxn:5:197876:225498:228808,CSc1cc(F)cc(-c2cc3c(cc2-c2cc(C4CCCCC4)ccc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,ICXVSGIGQXUVSA-UHFFFAOYSA-N
-rxn:5:197876:225499:226914,Cc1cc(CC(C)C)ccc1-c1cc2c(cc1-c1ccc(C3CCCCC3)cc1F)S(=O)(=O)N(C(C)(C)C)C2=O,LUOLMILPCZSFCZ-UHFFFAOYSA-N
-rxn:5:197876:225672:228918,CC(C)(C)N1C(=O)c2cc(-c3cnccc3C(F)F)c(-c3cc(F)nc(C4CCCCC4)c3)cc2S1(=O)=O,RCNIUWLHIOXEBY-UHFFFAOYSA-N
-rxn:5:197876:225677:226079,CC(C)c1ccc2sc(-c3cc4c(cc3-c3ccc(C5CCCCC5)nc3F)S(=O)(=O)N(C(C)(C)C)C4=O)cc2c1,MYNBARBRVNIVSQ-UHFFFAOYSA-N
-rxn:5:197876:226146:227978,CC(C)c1ccc(F)c(-c2cc3c(cc2-c2ccc(SC4CCCC4)cc2)S(=O)(=O)N(C(C)(C)C)C3=O)c1,KDCOYQBVZFVGOS-UHFFFAOYSA-N
-rxn:5:197876:226432:227029,CC(C)(C#N)c1ccccc1-c1cc2c(cc1-c1ccc(C3CCCC3)nc1F)S(=O)(=O)N(C(C)(C)C)C2=O,QNHOGCCENVUQCF-UHFFFAOYSA-N
-rxn:5:197876:226437:227912,COC(C)c1ccc(-c2cc3c(cc2-c2cc(C4CCCC4)ncc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1,BFEMBQKAUUBWBF-UHFFFAOYSA-N
-rxn:5:197876:226449:227898,CC(C)Cc1cncc(-c2cc3c(cc2-c2ccccc2C2(C)OCCO2)S(=O)(=O)N(C(C)(C)C)C3=O)c1,JPIDQVJZGZMWJC-UHFFFAOYSA-N
-rxn:5:197876:226762:227103,CSc1cc(-c2cc3c(cc2-c2sccc2C2CCCCC2)C(=O)N(C(C)(C)C)S3(=O)=O)cc(C(F)(F)F)c1,ALZARRRWULPAHK-UHFFFAOYSA-N
-rxn:5:197876:226912:227048,Cc1cc(CC(C)C)cc(-c2cc3c(cc2-c2ccc(C(=O)C(C)C)cc2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,WSTAZYWNACVQEP-UHFFFAOYSA-N
-rxn:5:197876:226916:226181,CC(C)(C)N1C(=O)c2cc(-c3ccc(C4=CCCCC4)nc3)c(-c3cccc(C4=CCCC4)c3)cc2S1(=O)=O,HQPUZQDNRXKDRT-UHFFFAOYSA-N
-rxn:5:197876:226973:227102,CC(C)(C)c1ccc(F)c(-c2cc3c(cc2-c2ccc4c(c2)C(C)(C)CO4)S(=O)(=O)N(C(C)(C)C)C3=O)c1,XTGDKUFFLFDIRR-UHFFFAOYSA-N
-rxn:5:197876:227076:227065,CCC(C)c1ccc(F)c(-c2cc3c(cc2-c2cccc(C(=O)C(C)C)c2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,NYEXSWKIOVKVLW-UHFFFAOYSA-N
-rxn:5:197876:227079:226444,Cc1nc(C2CCCO2)ccc1-c1cc2c(cc1-c1cc(CC(C)C)ccc1F)S(=O)(=O)N(C(C)(C)C)C2=O,WYAYDDOPMZSBMD-UHFFFAOYSA-N
-rxn:5:197876:227079:226923,Cc1cc(C2CC2)c(C)cc1-c1cc2c(cc1-c1cc(CC(C)C)ccc1F)S(=O)(=O)N(C(C)(C)C)C2=O,RTTAMQIPXISFPZ-UHFFFAOYSA-N
-rxn:5:197876:227087:227065,Cc1cnc(C(C)(C)C)c(-c2cc3c(cc2-c2cccc(C(=O)C(C)C)c2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,GUKMLADOIQEJJF-UHFFFAOYSA-N
-rxn:5:197876:227103:225886,CC(C)(C)N1C(=O)c2cc(-c3ccc4c(ccn4S(C)(=O)=O)c3)c(-c3sccc3C3CCCCC3)cc2S1(=O)=O,PCYJBKKLPSDZOG-UHFFFAOYSA-N
-rxn:5:197876:227103:227065,CC(C)C(=O)c1cccc(-c2cc3c(cc2-c2sccc2C2CCCCC2)S(=O)(=O)N(C(C)(C)C)C3=O)c1,SDSNMIJCEJDLIV-UHFFFAOYSA-N
-rxn:5:197876:227124:226920,Cc1ccc(C(C)(C)C)cc1-c1cc2c(cc1-c1ccc(C(C)(C)C)cc1F)S(=O)(=O)N(C(C)(C)C)C2=O,KWTXTOBZZNVXLY-UHFFFAOYSA-N
-rxn:5:197876:227820:227119,CC(C)(C)c1ccc(-c2cc3c(cc2-c2cc(C4CCCCC4)cs2)C(=O)N(C(C)(C)C)S3(=O)=O)cc1,XRMULZTXBUFBRD-UHFFFAOYSA-N
-rxn:5:197876:227980:226059,CC(C)c1ccc(-c2cc3c(cc2-c2ccc(C4CC4)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c(C(C)C)c1,GSRHAWWPQBXLCP-UHFFFAOYSA-N
-rxn:5:197876:227989:226067,CC#Cc1ccc(F)c(-c2cc3c(cc2-c2ccc(C4=CCCCC4)cc2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,SVGYUIKYBFYZLQ-UHFFFAOYSA-N
-rxn:5:197876:228189:225437,CCSc1ccc(F)c(-c2cc3c(cc2-c2cccc(CN4CCCCC4)c2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,DIHCKAMNSQIAQQ-UHFFFAOYSA-N
-rxn:5:197876:228195:226762,CSc1cc(-c2cc3c(cc2-c2cn(C(C)(C)C)nc2C)S(=O)(=O)N(C(C)(C)C)C3=O)cc(C(F)(F)F)c1,WRYKYSPPVGTIBK-UHFFFAOYSA-N
-rxn:5:198559:225805:226661,CC(c1ccc(-c2ccc3c(c2)C(c2cc(N4CCN(C)CC4)cs2)=NS3(=O)=O)s1)N1CCOCC1,KAQASFSHCDUGHZ-UHFFFAOYSA-N
-rxn:5:226761:193753:227710,CSc1ccc(-c2cc(C(=O)N3CCCCC3C)cc(-c3ccc(OS(C)(=O)=O)cc3)c2)c(C(F)(F)F)c1,SZRBMFZPWDUEAH-UHFFFAOYSA-N
-rxn:5:227912:178295:225451,COC(=O)C1(c2cc(-c3ccc(SC4CCCCC4)cc3)ccc2-c2ccc(C(C)OC)cc2)CCC(=O)CC1,IAJHAYATEGNABR-UHFFFAOYSA-N
-rxn:5:227935:178295:226907,CCc1cc(-c2ccc(-c3cccc4c3CCC43CC3)cc2C2(C(=O)OC)CCC(=O)CC2)ccc1OC,LPVNMFUEWCZGHY-UHFFFAOYSA-N
-rxn:5:227940:178295:226914,CCc1cc(SC)cc(-c2ccc(-c3ccc(CC(C)C)cc3C)cc2C2(C(=O)OC)CCC(=O)CC2)c1,IWAXPQVWRUMROQ-UHFFFAOYSA-N
-rxn:5:227940:178295:227339,CCc1cc(SC)cc(-c2ccc(-c3ccc(C)cc3C(=O)OC)cc2C2(C(=O)OC)CCC(=O)CC2)c1,PJJXEBKQSFKYIJ-UHFFFAOYSA-N
-rxn:5:227940:178295:227588,CCc1cc(SC)cc(-c2ccc(-c3c(OC)cc(F)cc3OC)cc2C2(C(=O)OC)CCC(=O)CC2)c1,GJRVUFHQHSDZCX-UHFFFAOYSA-N
-rxn:5:227946:178295:227076,CCC(C)c1ccc(F)c(-c2ccc(-c3ccc(C(C)(C)C)nc3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,KRXJJIPPQSNXOB-UHFFFAOYSA-N
-rxn:4:173282:223534,COC(=O)CSCC(=O)c1ccc(-c2cc(OC3CCN(C(=O)OC(C)(C)C)CC3)ncc2F)cc1,GCSYKUZJIZDOOC-UHFFFAOYSA-N
-rxn:4:173337:223954,COCCOc1cc(-c2ccc(OCCN3CCC(=O)CC3)c(F)c2)c(C(=O)OC)cc1F,RNZYDBPGGFQKPP-UHFFFAOYSA-N
-rxn:4:173338:222637,COC(=O)C(C(=O)OC)C(=O)c1ccc(-c2ccc(C(C)NC(=O)OC(C)(C)C)cc2)cc1,GNMLMZVRZXWYEK-UHFFFAOYSA-N
-rxn:4:173356:223582,COC(=O)c1ccc2cc(-c3ccc(CC(C(=O)OC)C(=O)OC)cc3)n(C(=O)OC(C)(C)C)c2c1,RYPIWNLKSZVWOK-UHFFFAOYSA-N
-rxn:4:173406:223559,COC[C@H](C)COCc1ccc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)cc1,KIGPAICGLOILJA-FQEVSTJZSA-N
-rxn:4:173459:222897,CCCCNS(=O)(=O)c1cccc(-c2ccc(Cl)cc2CC(=O)CC(=O)OC(C)(C)C)c1,IKIVRLTYUWVURW-UHFFFAOYSA-N
-rxn:4:173459:224128,CN(C(=O)c1ccc(-c2ccc(Cl)cc2CC(=O)CC(=O)OC(C)(C)C)cc1)C1CCCCC1,YKMFKJHZPMLDPY-UHFFFAOYSA-N
-rxn:4:173502:222673,COC(=O)c1cc(OS(=O)(=O)C(F)(F)F)c([Si](C)(C)C)c(-c2cc(C(=O)NC3CCCCC3)ccc2Cl)c1,STIPIPFWHHEILS-UHFFFAOYSA-N
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-rxn:4:173509:224397,CC(C)(C)OC(=O)c1cc(OCC2CC2)cc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)cc2)c1,HZKIRAVLCIMLJS-UHFFFAOYSA-N
-rxn:4:173518:222658,CCOc1ccc(-c2cc(F)cc(C(=O)NC3CCCCC3)c2)cc1S(=O)(=O)Oc1cccc(C(C)=O)c1,DQBMCVJJFHCMRM-UHFFFAOYSA-N
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-rxn:4:174406:224325,COC(=O)C1(c2ccc(-c3ccc(C4=CCN(S(C)(=O)=O)CC4)cc3)cc2)CC(OC)(OC)C1,QPKIKSNJOCLVTA-UHFFFAOYSA-N
-rxn:4:174406:224570,COC(=O)C1(c2ccc(-c3ccc(C(C)N4CCN(C)CC4)cc3)cc2)CC(OC)(OC)C1,FYEYHPMKPOXLKV-UHFFFAOYSA-N
-rxn:4:174428:224609,CC(C)N(C(=O)c1ccncc1-c1ccc(SC(C)(C)C(=O)OC(C)(C)C)cc1)C(C)C,QBHHFTJLUBJGNF-UHFFFAOYSA-N
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-rxn:4:174484:223872,CCN(C(=O)c1cccc(-c2ccc(OC)cc2CO[Si](C)(C)C(C)(C)C)c1)C1CCCCC1,OQRHNGITGBGZOF-UHFFFAOYSA-N
-rxn:4:174522:222798,Cc1cc(S(=O)(=O)NC(C)(C)C)ccc1-c1ccc(C#C[Si](C(C)C)(C(C)C)C(C)C)cc1,FKZYWMOOQFHIPU-UHFFFAOYSA-N
-rxn:4:174522:223836,COc1ncnc2c1cc(-c1ccc(C#C[Si](C(C)C)(C(C)C)C(C)C)cc1)n2C(=O)OC(C)(C)C,BGZXLBQZWZVJHQ-UHFFFAOYSA-N
-rxn:4:174528:224880,COc1ccc(C)c(-c2c(C(C)C)cc(C(C)C)cc2C(C)C)c1-c1ccccc1CN1CCCCCC1,HYSDEYDZYRHZGM-UHFFFAOYSA-N
-rxn:4:174538:224283,CCOC(=O)CCc1cc2c(c(-c3cnc(OC(C)(C)C)nc3OC(C)(C)C)c1)OCC2,QBOZIODKYXHPHA-UHFFFAOYSA-N
-rxn:4:174567:222896,CC(=O)Oc1cc2c(C(=O)OC(C)C)c(C)oc2cc1-c1ccc(CNC(=O)OC(C)(C)C)s1,BQIBZXVMBZOJKG-UHFFFAOYSA-N
-rxn:4:174651:224405,CCc1ccc(C=C2Oc3cc(OS(=O)(=O)c4ccc(-c5cc(F)c(F)cc5S(=O)(=O)N5CCCC5)cc4)ccc3C2=O)cc1,WZQRYKJOGQCTDI-UHFFFAOYSA-N
-rxn:4:174655:226492,CCCCCOc1cc2c(cc1-c1cc(OCCOC)ccc1Cl)C(C)(C)CCC2(C)C,ASHWYKJCMUWUGV-UHFFFAOYSA-N
-rxn:4:174656:223635,CC(C)[Si](C#Cc1cccc2cccc(-c3ccc(C4CCN(C(=O)OC(C)(C)C)CC4)cc3)c12)(C(C)C)C(C)C,FJBBCIYAJPNEDM-UHFFFAOYSA-N
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-rxn:4:174704:223529,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccccc3COCC(F)(F)F)cc2F)CC1,CYOFOXOEMPMFFA-UHFFFAOYSA-N
-rxn:4:174836:223997,COc1cc(-c2cc(C)c(S(=O)(=O)N3CCOCC3)c(C)c2)c(F)cc1OCC(F)(F)F,XBQUMHBYLCDLQF-UHFFFAOYSA-N
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-rxn:4:175377:224486,CC(C)N(C(=O)c1cccc(-c2ccc(C(C)(OS(C)(=O)=O)C(F)(F)F)cc2)c1)C(C)C,PCSRVEYTJPMSBK-UHFFFAOYSA-N
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-rxn:4:175690:223503,CC(C)(C)OC(=O)N1CCC(Oc2cc(F)c(-c3ccc(C(=O)CCc4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)CC1,VBEQHJGGNXINFP-UHFFFAOYSA-N
-rxn:4:175719:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(OCC2CCC2)c(C(C)=O)c1,GJBMZRQLUJUBQQ-UHFFFAOYSA-N
-rxn:4:175936:224009,COc1ccc(-c2ccc(OCC3CCCC3)c(C(C)=O)c2)cc1S(=O)(=O)N1CCOCC1,PGGZZRCNDKCOOK-UHFFFAOYSA-N
-rxn:4:175989:224620,CC(C)(C)[Si](C)(C)OCc1ccc(-c2ccc(OCC3CCCCC3)cc2C(F)F)cn1,OOGGPJXUDMUEKJ-UHFFFAOYSA-N
-rxn:4:176104:222826,CC(=O)c1cccc(-c2cccc(S(=O)(=O)N3CCNCC3)c2)c1OCC1CCCCC1,MXFZMCDYCLAJHD-UHFFFAOYSA-N
-rxn:4:176131:222717,Cc1cc(-c2cc(SC(C)(C)C)cc(SC(C)(C)C)c2)c(S(=O)(=O)NC(C)(C)C)cc1F,CZMLRRRDEBKQMH-UHFFFAOYSA-N
-rxn:4:176142:222389,CC(C)(C)c1ccc(OS(=O)(=O)c2ccc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)cc2)cc1,MBGBIWXPFNLBEE-UHFFFAOYSA-N
-rxn:4:176156:223748,Cc1cc(CO[Si](C)(C)C(C)(C)C)ccc1-c1cc(N2CCCCC2)cc(N2CCCCC2)c1,CCDJOXJEISFECG-UHFFFAOYSA-N
-rxn:4:176285:222589,O=C1C(=Cc2ccc(-c3ccc(OCCN4CCC(O)CC4)c(Cl)c3)cc2)Oc2cc(OS(=O)(=O)c3ccc(Cl)cc3)ccc21,TUNVYNXHAAQURF-UHFFFAOYSA-N
-rxn:4:176322:227340,CCC1(CC)CC(C)(C)c2c1cc1c(c2-c2ccc(C)c(C(=O)OC)c2)C(C)(C)CC1(CC)CC,JQBJDMMZZCDTPA-UHFFFAOYSA-N
-rxn:4:176322:228153,CCC1(CC)CC(C)(C)c2c1cc1c(c2-c2cc(OC)cc(OC)c2)C(C)(C)CC1(CC)CC,JZOFKYUJWIWJPC-UHFFFAOYSA-N
-rxn:4:176484:223540,C#CCc1ccc(-c2cc(S(=O)(=O)N3CCC4(CC3)OCCO4)ccc2OC)cc1C(F)(F)F,MMKCMCVXZWANGD-UHFFFAOYSA-N
-rxn:4:176680:223492,COc1c(C(=O)C(F)(F)F)cccc1-c1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c(C)c1,JUWAFFBTJHJQCA-UHFFFAOYSA-N
-rxn:4:176710:223753,CSc1ccc(-c2ccc(C)c(OCCCN3CCN(C)CC3)c2)c(C(=O)C(F)(F)F)c1F,NYEBFQJLHYNVPL-UHFFFAOYSA-N
-rxn:4:177289:223504,CC(C)COc1cc(F)ccc1-c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)c([N+](=O)[O-])c1,QTZSEQBWWHJESG-UHFFFAOYSA-N
-rxn:4:177694:223559,COC(=O)C(C)(C)c1ccccc1-c1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)OC(C)(C)C,GBUUYYDYGOLKJU-UHFFFAOYSA-N
-rxn:4:177784:223499,CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(-c3cccc(C(=O)Cc4ccccc4F)c3)ccc2Cl)CC1,GYUOYSGNGBUSKC-UHFFFAOYSA-N
-rxn:4:178177:223526,CC(C)Oc1cc(-c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cc2)cc(C2OCCO2)c1,AWWBIGLLTQBYHH-UHFFFAOYSA-N
-rxn:4:178293:224198,CCN1CCN(Cc2ccc(-c3ccccc3C3(C(=O)OC)CCC(=O)CC3)c(F)c2)CC1,XZFLPBIIQJIZTQ-UHFFFAOYSA-N
-rxn:4:178321:223973,Cc1ccc(OCC2COC(C)(C)O2)cc1-c1ccc(N2CCCC(C)C2)cc1C(F)(F)F,GCVQHMWEWOYWTO-UHFFFAOYSA-N
-rxn:4:178326:224059,COC(=O)c1ccc(C2CCCCC2)c(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2OC)c1,KOONBLIZARCSPI-UHFFFAOYSA-N
-rxn:4:178329:224379,CN1CCN(S(=O)(=O)c2ccccc2-c2cccc(S(=O)(=O)CC3CCCCC3)c2)CC1,IDPNANJTMQTSRW-UHFFFAOYSA-N
-rxn:4:178384:227012,CC(C)CSc1ccccc1-c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1,IOYURKCOYNJMJG-UHFFFAOYSA-N
-rxn:4:178384:227121,CC(C)(C)c1ccc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c(Cl)c1,CEZGOMKQRYOWSB-UHFFFAOYSA-N
-rxn:4:178384:228234,Fc1nccc(C2CC2)c1-c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1,WVAOYGYEJSIWNR-UHFFFAOYSA-N
-rxn:4:178497:223636,COc1ccc(-c2ccc(C3CCCN(C(=O)OC(C)(C)C)C3)cc2)cc1S(=O)(=O)C12CC(C1)C2,LGQFBJXUIGSRNV-UHFFFAOYSA-N
-rxn:4:178498:223832,CCOC(=O)C1CCc2cc(-c3cc(S(=O)(=O)N4CCC(C)CC4)ccc3OC)ccc2C1=O,DBOFGOUWWISFEZ-UHFFFAOYSA-N
-rxn:4:178539:223838,CC(=O)Oc1ccc2c(c1)OC(=Cc1ccccc1-c1ccc(N3CCN(S(=O)(=O)N(C)C)CC3)cc1)C2=O,CPYYJOIUTPFPJD-UHFFFAOYSA-N
-rxn:4:178582:223660,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc(O[Si](C)(C)C(C)(C)C)c4ccccc34)s2)CC1,YBMDVGBIKFPCIJ-UHFFFAOYSA-N
-rxn:4:178597:225653,CC1CCCCN1c1ccc(-c2ccc(OC(=O)C3OC4OC(C)(C)OC4C4OC(C)(C)OC34)cc2)cn1,ICFSHDQYJVEJLJ-UHFFFAOYSA-N
-rxn:4:178597:225970,Cc1nccn1-c1cc(-c2ccc(OC(=O)C3OC4OC(C)(C)OC4C4OC(C)(C)OC34)cc2)cnc1Cl,RSRKALNNVWJXBJ-UHFFFAOYSA-N
-rxn:4:178597:226062,CC(C)c1cc(-c2ccc(OC(=O)C3OC4OC(C)(C)OC4C4OC(C)(C)OC34)cc2)cc(C(C)C)c1,YFYCNKVQPPGQOM-UHFFFAOYSA-N
-rxn:4:178597:227729,Cc1nn(-c2cscn2)cc1-c1ccc(OC(=O)C2OC3OC(C)(C)OC3C3OC(C)(C)OC23)cc1,GQTLULOWYWNAND-UHFFFAOYSA-N
-rxn:4:178952:223670,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2cccc(F)c2C(F)(F)C(F)(F)F)CC1,WONGUTNQMWSMCM-UHFFFAOYSA-N
-rxn:4:179643:223501,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3cc(C4CC4(F)F)cc(C(F)(F)F)c3)cc2Cl)CC1,FSEQAHNLSVIOFD-UHFFFAOYSA-N
-rxn:4:180037:223840,COc1ccc(-c2c(C)cc(C(F)(F)F)cc2C2CC2)cc1S(=O)(=O)N1CCN(C)CC1,UCVURDYFYFNKDU-UHFFFAOYSA-N
-rxn:4:180278:222466,O=C(c1cccc(-c2cc(C3CCCCC3)nc(C3CCNCC3)c2)c1)C1CCOCC1,IHJKPVRKGQFECZ-UHFFFAOYSA-N
-rxn:4:180452:226024,CC1(C)OC(=O)C(Cc2cc(F)cc(-c3cccc(OCC(F)(F)F)c3F)c2F)C(=O)O1,DQMSCVOAJJGZBZ-UHFFFAOYSA-N
-rxn:4:180458:223683,COc1ccc(C2CCCCC2)cc1-c1cnc(OC2CCN(C(=O)OC(C)(C)C)C2)nc1,YLTASWNPYYSILF-UHFFFAOYSA-N
-rxn:4:180495:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3cc(C4CCOCC4)ccc3C3CC3)cc2)CC1,CDDGWHLLTPNXJL-UHFFFAOYSA-N
-rxn:4:180538:223592,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc4sc(C(=O)C(F)(F)F)cc4c3)c(Cl)c2)CC1,CJPCEFBNOZUHDF-UHFFFAOYSA-N
-rxn:4:180571:223499,COC(=O)c1cc2c(-c3ccc(Cl)c(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c3)cc(F)cc2s1,TXTTYGHRHYHPNG-UHFFFAOYSA-N
-rxn:4:180815:224489,COc1ccc(-c2cc(F)ccc2CN(C(C)C)C(C)C)cc1C12CC3CC(CC(C3)C1)C2,FNVWJCBOUBCNJE-UHFFFAOYSA-N
-rxn:4:182368:224176,O=C1c2cc(-c3ccc(OCCSC4CCOCC4)cc3)ccc2CC12CCC(C(F)(F)F)CC2,CPAFFUDGMWJVPB-UHFFFAOYSA-N
-rxn:4:182407:223636,CC(C)(C)OC(=O)N1CCCC(c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(C(C)(C)C)ccc3-4)cc2)C1,HMYCPFMQXOWDCY-UHFFFAOYSA-N
-rxn:4:183271:222460,COc1cc(NS(=O)(=O)c2ccc(-c3ccc4c(c3)OCCOCCOCCOCCO4)cc2)ccc1F,DPGRDUDWGHAQFL-UHFFFAOYSA-N
-rxn:4:183272:228196,Cc1ncnc(C2CC2)c1-c1ccc2c(c1)OCCOCCOCCOCCOCCO2,PLGKZRBLJNCYAA-UHFFFAOYSA-N
-rxn:4:183273:228196,Cc1ncnc(C2CC2)c1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,HAYNWPVSMPFLLP-UHFFFAOYSA-N
-rxn:4:183273:229188,Fc1nccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1F,MDPNLWSPSVGMTE-UHFFFAOYSA-N
-rxn:4:183274:229257,Clc1cncc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCOCCO3)c1,QARJVHUESMKARW-UHFFFAOYSA-N
-rxn:4:183550:224377,CCOC(=O)Cc1c(OC)ccc(C#N)c1-c1ccc(S(=O)(=O)N2CCN(C)CC2)cc1,DSTIGLBLICSLJU-UHFFFAOYSA-N
-rxn:4:183565:224280,CCOC(=O)Cc1c(C#N)ccc(-c2cc3c(s2)CCN(C(=O)OC(C)(C)C)C3)c1OC,MAKNEWRCPJOHNK-UHFFFAOYSA-N
-rxn:4:183621:224396,CCN(CC)C(=O)COc1ccc(Cl)cc1-c1ccc(S(=O)(=O)N2CCOCC2)c(C)c1,FYLHWTUBZQCHQO-UHFFFAOYSA-N
-rxn:4:183626:224825,CON(C)C(=O)c1cc(-c2cc(C#N)ccc2OCC(=O)OC(C)(C)C)cc([N+](=O)[O-])c1,HUZLAIKERHBWJI-UHFFFAOYSA-N
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-rxn:4:190468:224867,O=S(=O)(c1ccc(-c2ccc(OCC3CCCCC3)cc2)cc1)N1CCSC(c2cc(F)ccc2F)CC1,UTNXZRWUIZYIAL-UHFFFAOYSA-N
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-rxn:4:190476:222913,CC(C)(C)c1cc(CN2CCC(F)(F)CC2)cc(-c2ccc(CNS(=O)(=O)C3CC3)cc2)c1,OXNLRMAFBUNUIB-UHFFFAOYSA-N
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-rxn:4:190984:222514,COc1ccc(-c2cccc(C(=O)N3C4CCC3CC(SC)C4)c2)cc1S(=O)(=O)NC1CCCCC1,WFOXPQGUPSEAFN-UHFFFAOYSA-N
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-rxn:4:191034:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc4c(c3)CCCN(C(=O)OC(C)(C)C)C4)cc2)CC1,UTRKWIIHATUDEM-SOAUALDESA-N
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-rxn:4:191062:226959,CC1(C)Cc2cc(-c3ccccc3S(=O)(=O)N3C4CCC3CC(S(C)(=O)=O)C4)ccc2O1,VIICEXICVZDNCL-UHFFFAOYSA-N
-rxn:4:191062:227033,CS(=O)(=O)C1CC2CCC(C1)N2S(=O)(=O)c1ccccc1-c1ccc(C2CC2)c(C#N)c1,CWUDHMKNIQYCRK-UHFFFAOYSA-N
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-rxn:4:191097:225744,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3cncc(C(=O)OC(C)(C)C)c3)cc21,VVWJBTITNLHYTH-UHFFFAOYSA-N
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-rxn:4:191104:223080,CC(C)NS(=O)(=O)c1ccc(-c2ccc3c(c2)C2(CCN(C(=O)OC(C)(C)C)CC2)CO3)cc1,HUUYNPUKSMBVRG-UHFFFAOYSA-N
-rxn:4:191106:224397,CC(C)(C)OC(=O)N1CC2(CCOCC2)c2cc(-c3ccc(S(=O)(=O)N4CCC(=O)CC4)cc3)ccc21,CDFWBSCBFQFWLJ-UHFFFAOYSA-N
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-rxn:4:191138:225174,CCc1ccccc1N1C(=O)C2C(c3ccc(-c4ccc(F)cc4CN4CCOCC4)cc3)OC3(C(=O)c4ccccc4C3=O)C2C1=O,KLBIFCVAORPFSY-UHFFFAOYSA-N
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-rxn:4:191195:226728,CC1C(=O)C(C)(C)N(C(=O)OC(C)(C)C)c2c1cc(-c1ccc(OCC(F)F)cc1F)c1c2CCC1,NLHQCTUZAIYWOR-UHFFFAOYSA-N
-rxn:4:191628:223669,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3c(Cl)cc([N+](=O)[O-])cc3C(F)(F)F)cn2)CC1,CECBJLCVAJISKI-UHFFFAOYSA-N
-rxn:4:191636:222439,O=[N+]([O-])c1ccc(F)c(C(F)(F)F)c1-c1ccc(S(=O)(=O)NC2CCCCC2)cc1C(F)(F)F,IXJJXINIPGYHFH-UHFFFAOYSA-N
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-rxn:4:193353:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)ccn2)CC1,JMBNTVGTLZSWKF-UHFFFAOYSA-N
-rxn:4:193403:224125,O=S(=O)(c1cc(-c2ccc(CN3CCN(C4CC4)CC3)cc2)c(F)cc1F)N1CCOCC1,GMDDJYHLUVBITA-UHFFFAOYSA-N
-rxn:4:193503:222694,Cc1c(-c2cccc(S(=O)(=O)NC3CCCCC3)c2)ccc(S(C)(=O)=O)c1C1=NOCC1,MPHYKCBSPGNIRI-UHFFFAOYSA-N
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-rxn:4:193518:222850,CC1=CC(=O)C=CC1=NS(=O)(=O)c1ccc(-c2cc(C3CCNCC3)ccc2C#N)cc1,ZSEBWYCMMVKZCE-UHFFFAOYSA-N
-rxn:4:193518:222859,CC1=CC(=O)C=CC1=NS(=O)(=O)c1ccc(-c2ccc(C(=O)NCCN(C)C)cc2)cc1,SROVLXASDZBPSO-UHFFFAOYSA-N
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-rxn:4:193518:224627,CC1=CC(=O)C=CC1=NS(=O)(=O)c1ccc(-c2ccc(C(=O)N3CC(N(C)C)C3)cc2)cc1,RLBRYNSQQMGHOB-UHFFFAOYSA-N
-rxn:4:193518:224975,CCN1CCN(c2ccc(-c3ccc(S(=O)(=O)N=C4C=CC(=O)C=C4C)cc3)cc2)CC1,BNZOETVXCTYZJE-UHFFFAOYSA-N
-rxn:4:193518:225212,CC1=CC(=O)C=CC1=NS(=O)(=O)c1ccc(-c2cc(F)cc(N3CCN(C)CC3)c2)cc1,RVBMWYOPSXCYPI-UHFFFAOYSA-N
-rxn:4:193518:225295,CC1=CC(=O)C=CC1=NS(=O)(=O)c1ccc(-c2ccccc2S(=O)(=O)N2CCCC2)cc1,BKIHFSZNHNVBHU-UHFFFAOYSA-N
-rxn:4:193562:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1cc(S(=O)(=O)N2CCCC2)ccc1C,BQJOYSSKYYQNFV-UHFFFAOYSA-N
-rxn:4:193562:222514,COc1ccc(-c2cc(S(=O)(=O)N3CCCC3)ccc2C)cc1S(=O)(=O)NC1CCCCC1,QFGHLFBTROFYPI-UHFFFAOYSA-N
-rxn:4:193564:224009,COc1ccc(-c2ccc(C(=O)N3CCSCC3)cc2C)cc1S(=O)(=O)N1CCOCC1,BEVHCNSLCZDVFM-UHFFFAOYSA-N
-rxn:4:193636:222447,COc1ccc2c(c1-c1cc(N3CCCC(F)(F)C3)ccc1C(F)(F)F)N=C(NC(=O)OC(C)(C)C)C2,VYYVAQKYUBYHGB-UHFFFAOYSA-N
-rxn:4:193641:225292,CC(C)Oc1ccc(-c2cccc(C(F)(F)F)c2N2CCC(F)(F)CC2)cc1C(F)(F)F,SNDAGQRNWSTNBN-UHFFFAOYSA-N
-rxn:4:193766:224720,CC1CCN(C(=O)c2cccc(F)c2-c2cn(C(=O)OC(C)(C)C)nc2C2CC2)CC1,YYPMKLQWHNHTSI-UHFFFAOYSA-N
-rxn:4:193768:224257,Cc1ccc(-c2cc(C(=O)N3CCCCC3C)ccc2Cl)c(C(=O)N2CCCCC2)c1F,PZOXEANMPUOCGZ-UHFFFAOYSA-N
-rxn:4:193836:224247,CC1CCN(C(=O)c2ccc(-c3cccc(S(=O)(=O)N4CCC(C)CC4)c3)c(F)c2)CC1,XSUGIQAZYWGLIJ-UHFFFAOYSA-N
-rxn:4:193867:223940,CC(C)(C)OC(=O)N1CCOc2cc(-c3cc(Cl)cc(C4(N5CCC(=O)CC5)CC4)c3)ccc21,WNOJEBYWNGVPGG-UHFFFAOYSA-N
-rxn:4:193874:223508,CC1CCN(S(=O)(=O)c2ccc(-c3ccc(N4CCN(S(=O)(=O)c5ccc(Cl)cc5)CC4)nc3)cc2F)CC1,GBEJMCSCIMYRDV-UHFFFAOYSA-N
-rxn:4:193881:223504,CC1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c([N+](=O)[O-])c2)CC1,ZAOFDYWSTMFXGC-UHFFFAOYSA-N
-rxn:4:193883:223588,Cc1cc(-c2cc(S(=O)(=O)N3CCCC(C)C3)c(F)cc2F)cnc1N1CCN(C(=O)OC(C)(C)C)CC1,HJNFQSGGQYCNRI-UHFFFAOYSA-N
-rxn:4:193893:222603,COc1cc(-c2ccc(CN3CC(C)OC(C)C3)cc2)c(Cl)cc1NC(=O)OC(C)(C)C,WGNGIVZXKNJBGS-UHFFFAOYSA-N
-rxn:4:193933:224766,Cc1cc(C(=O)N2CCC(C)CC2)c(F)c(-c2cc(N3CCCC3)cc(C(F)(F)F)c2)c1,GXNQQXVNMQUPRL-UHFFFAOYSA-N
-rxn:4:193936:224757,CC1(C)OCC2(CO1)CN(C(=O)c1ccc(-c3cc(Cl)cc(C(=O)N4CCOCC4)c3)o1)C2,UNKFXLKZNRHVTK-UHFFFAOYSA-N
-rxn:4:193977:222598,Cc1cc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC3(CC2)OCCO3)cc(C)c1S(=O)(=O)NC1CCCC1,CWTOXYDAAANWJN-UHFFFAOYSA-N
-rxn:4:193996:225361,Cc1cc(-c2cn(C3CCCC3)nc2C(F)(F)F)c(S(=O)(=O)N2CCCC(C)C2)cc1C,ATIOUEQRNZGVLE-UHFFFAOYSA-N
-rxn:4:194456:222695,Cc1ccc(-c2ccc(S(=O)(=O)N3CC4CC3CS4)cc2)cc1S(=O)(=O)NC1CCCC1,XMEQRNZVLUPTIB-UHFFFAOYSA-N
-rxn:4:194457:223835,Cc1cc(F)c(-c2ccccc2S(=O)(=O)N2CC3CC2CO3)cc1S(=O)(=O)N1CCC(C)CC1,VPQARRAMMGNYLS-UHFFFAOYSA-N
-rxn:4:194572:225898,O=S1(=O)CC2CC1CN2S(=O)(=O)c1ccccc1-c1cnn(CCN2CCOCC2)c1,MASBULHKVPZQIG-UHFFFAOYSA-N
-rxn:4:194587:223583,COC(=O)c1ccc2c(-c3ccc4c(c3)CCN4C(=O)C(C)(C)C)cn(C(=O)OC(C)(C)C)c2c1,RQKCOOTXQRMLRH-UHFFFAOYSA-N
-rxn:4:194625:223497,CC(c1ccc(-c2ccc3c(c2)CN(C(=O)C2CCCC2)C3)cc1)N1CCC(O[Si](C)(C)C(C)(C)C)CC1,LANCJWUIVJISPP-UHFFFAOYSA-N
-rxn:4:194672:222466,Fc1cc(-c2cc(C3CCCCC3)nc(C3CCNCC3)c2)cc2c1OCCN2CC1CCCC1,QCXFWEJWYREEBB-UHFFFAOYSA-N
-rxn:4:194696:222539,CC(C)(C)OC(=O)NC1Cc2ccc(-c3ccc4c(c3)CCCC4=NS(=O)C(C)(C)C)cc2C1,RTARMVXWIJWQTG-UHFFFAOYSA-N
-rxn:4:194696:222639,C[C@H](NC(=O)OC(C)(C)C)c1ccc(-c2ccc3c(c2)CCCC3=NS(=O)C(C)(C)C)cc1,PQDLXWRZZNTOOF-YFIRRCFKSA-N
-rxn:4:194696:223562,CC(C)(C)OC(=O)N1CCC(Cc2ccc(-c3ccc4c(c3)CCCC4=NS(=O)C(C)(C)C)cc2)CC1,TYEHKQLROGBIHS-UHFFFAOYSA-N
-rxn:4:194712:222936,CCC(=O)NS(=O)(=O)c1ccc(-c2ccc3c(c2)C(N2CCCC(C(F)(F)F)C2)CC3)cc1,FMWANOPRIWVZDF-UHFFFAOYSA-N
-rxn:4:194750:224846,CCC1CCC(c2ccc(-c3ccccc3S(=O)(=O)N3C4CCC3CC(=C3CC3)C4)cc2)CC1,RDCMGMKXELIMDE-UHFFFAOYSA-N
-rxn:4:194792:223180,CONC(=O)c1ccc(-c2ccc(C3OC4(C(=O)c5ccccc5C4=O)C4C(=O)N(c5ccc(Cl)cc5)C(=O)C34)cc2)cc1F,FNWGOWZRUZRERB-UHFFFAOYSA-N
-rxn:4:195252:223573,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3c(F)cc(C(F)(F)F)nc3F)cc2)CC1,OUOGUHZZVUFMJM-UHFFFAOYSA-N
-rxn:4:197041:223491,Cc1cnc(C2CCCCC2)cc1-c1cc(N2CCN(C(=O)OC(C)(C)C)CC2)cc(C(F)(F)F)c1,AQHNUOPGRXVDEO-UHFFFAOYSA-N
-rxn:4:197200:223531,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3sc4c(c3C#N)CCCC4)cc2Cl)CC1,DOEIUQNIHFZHLI-UHFFFAOYSA-N
-rxn:4:197648:223491,CC(C)(C)OC(=O)N1CCN(c2cc(-c3ccc4cncc(C5CC5)c4c3)cc(C(F)(F)F)c2)CC1,GXDMAZJKCVJHFS-UHFFFAOYSA-N
-rxn:4:197915:224754,CC12CS(=O)(=O)CC1SC(=S)N2c1cccc(-c2ccccc2S(=O)(=O)N2CCCCC2)c1,IIOIBAQAGXWFFJ-UHFFFAOYSA-N
-rxn:4:197976:224820,O=S(=O)(c1cccc(-c2cccc3c2CCCC3N2CCCC(F)(F)C2)c1)N1CCOCC1,YLARWESQKSZCKQ-UHFFFAOYSA-N
-rxn:4:197978:223971,CC1CCN(c2cc(-c3ccc4c(c3)CCCC4N3CCCC(F)(F)C3)cc(C(F)(F)F)c2)CC1,KZPKFDSYGOLICT-UHFFFAOYSA-N
-rxn:4:197987:224187,CC1CCCN(C2CCCc3c(-c4ccc(OCCN5CCCCC5)cc4F)cccc32)C1,ODZSJGUZLOHNSD-UHFFFAOYSA-N
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-rxn:4:201967:223571,COc1cc(S(=O)(=O)N2CCN(C(C)=O)CC2)ccc1-c1ccc(OCCN2C(=O)c3ccccc3C2=O)cc1,BEEZWNSDRRIRDG-UHFFFAOYSA-N
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-rxn:4:202006:223009,CCOc1cc(-c2cc(Cl)cc(C3CCNCC3)c2)ccc1S(=O)(=O)N1CCN(C)CC1,UKGVPEBRZLOWNM-UHFFFAOYSA-N
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-rxn:4:202008:224834,CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cn(S(=O)(=O)N(C)C)nc1C(F)(F)F,CTKUAASLZLEMKS-UHFFFAOYSA-N
-rxn:4:202009:225741,CCCCOc1c(F)cc(-c2cccnc2OC2CCN(C(=O)C3CCCC3)C2)cc1Cl,QQXIYMPNLOCFST-UHFFFAOYSA-N
-rxn:4:202010:225326,CCOC(=O)c1ccc(-c2cncc(C3CN(C(=O)OC(C)(C)C)CCO3)c2)c([N+](=O)[O-])c1,ZIALVLOGARXPFJ-UHFFFAOYSA-N
-rxn:4:202075:222541,CC(C)(C)OC(=O)N1CCC(C)(c2ccc(-c3ccc(C(=O)NCCN4CCCCC4)cc3)cn2)C1=O,RTLWWNASLFDTCU-UHFFFAOYSA-N
-rxn:4:202077:223812,O=S(=O)(c1ccccc1)N1CCC(Oc2ncccc2-c2cc(F)cc(CN3CCC4(CC3)OCCO4)c2)CC1,AQIGVBWYBJGAOZ-UHFFFAOYSA-N
-rxn:4:202081:224319,Cc1cc(S(=O)(=O)N2CCCCC2)ccc1-c1ccc(S(=O)(=O)N2CCCC(Oc3ccncc3)C2)cc1,DYTKECAWJJKCPU-UHFFFAOYSA-N
-rxn:4:202104:223098,CC(=O)NS(=O)(=O)c1ccc(-c2ccnc(C3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1,XUXSLVCOXLKYTC-UHFFFAOYSA-N
-rxn:4:202104:223671,CC(C)(C)OC(=O)N1CCC(c2cc(-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)ccn2)CC1,HXPAGNMSOMYDCE-UHFFFAOYSA-N
-rxn:4:202105:224251,CC1CCCN(C(=O)c2ccc(-c3ccc(C4CCCN(C(=O)OC(C)(C)C)C4)cn3)c(F)c2)C1,DOXDDIVSESOFFK-UHFFFAOYSA-N
-rxn:4:202118:224076,CC(C)(C)OC(=O)c1cc(-c2ccc3c(ccn3[Si](C)(C)C(C)(C)C)c2)cnc1N1CCCCC1,KCQIFERRSWOXDB-UHFFFAOYSA-N
-rxn:4:202140:223180,CONC(=O)c1ccc(-c2cc(F)cc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1F,XRGPVVAYUZGURH-UHFFFAOYSA-N
-rxn:4:202147:222579,Cc1ccccc1NC(=O)c1cc(-c2ccc(N3CCC(F)(F)CC3)nc2C(=O)OC(C)(C)C)ccc1Cl,NQEOIVUTZFWJRQ-UHFFFAOYSA-N
-rxn:4:202202:225108,CCN(CC)C(=O)c1ccc(-c2ccccc2CN2CCOC(C(=O)N3CCOCC3)C2)c(F)c1,WHYCTDGJEKOPGM-UHFFFAOYSA-N
-rxn:4:202202:226549,CCOc1c(Cl)cc(-c2ccccc2CN2CCOC(C(=O)N3CCOCC3)C2)cc1OC,QCIAPKLICKBYIH-UHFFFAOYSA-N
-rxn:4:202204:225283,CCC(C)c1cc(-c2cccc(N3CC(C(=O)N4CCC(CF)CC4)CC3=O)c2)cnc1C(F)(F)F,ZQYWBDZCXAHUMC-UHFFFAOYSA-N
-rxn:4:202226:223540,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1cc(C2CCCN(C(=O)OC(C)(C)C)C2)cc(C)n1,QYDJHPNEOVDWRA-UHFFFAOYSA-N
-rxn:4:202227:226539,CCOC(=O)c1ccc(Cl)cc1-c1cc(C)nc(C2CCCN(C(=O)OC(C)(C)C)C2)c1,VUNVAKQSFHLEDM-UHFFFAOYSA-N
-rxn:4:202284:226141,COc1ccc(-c2ccccc2OC2CCCC2)cc1CN1CCC(N2CCCC2)CC1,MDMUEQOPILSCRP-UHFFFAOYSA-N
-rxn:4:202285:225201,COC1CCN(Cc2ccc(-c3ccc(OC4CCCC4)c(F)c3F)cc2N2CCCC2)CC1,WWEAYSDTNWKZKE-UHFFFAOYSA-N
-rxn:4:202287:225073,CCOC(=O)c1cc2cccc(-c3ccccc3C(=O)N3CCCSCC3CN3CCOCC3)c2s1,KSAYEBXECPHAIU-UHFFFAOYSA-N
-rxn:4:202308:223995,Cc1c(-c2cc(N3CCN(C)CC3)cc(C(F)(F)F)c2)cccc1N1CCN(C(=O)OC(C)(C)C)C(C)C1,ARPDCFPZAKCYNU-UHFFFAOYSA-N
-rxn:4:202310:223384,CNC(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCCSCC3CN3CCOCC3)cc2)cn1,ZESRDKAVCFIWKB-UHFFFAOYSA-N
-rxn:4:202311:228095,O=C(C1CCN(Cc2ccc(-c3cccc(OCCF)c3)cc2)CC1)N1CCC(F)(F)CC1,QIEVCTRMTNWXLH-UHFFFAOYSA-N
-rxn:4:202321:224890,FC(F)(F)C1CCCN(Cc2ccc(-c3cc(C4CC4)cc(N4CCCC4)c3)cc2N2CCCCC2)C1,KHICQCMWOLHRCP-UHFFFAOYSA-N
-rxn:4:202328:227118,COC1CCN(C2CCN(S(=O)(=O)c3ccccc3-c3cc(Cl)cc(C4CC4)c3C)CC2)CC1,TZPQPBZPLBAREO-UHFFFAOYSA-N
-rxn:4:202328:227166,COC1CCN(C2CCN(S(=O)(=O)c3ccccc3-c3ccc4c(c3)OCCN4C)CC2)CC1,ZJPQGSARCWFLLD-UHFFFAOYSA-N
-rxn:4:202328:227432,COC1CCN(C2CCN(S(=O)(=O)c3ccccc3-c3ccc(C4COC4)nc3C)CC2)CC1,VHQOONMNZXRLEL-UHFFFAOYSA-N
-rxn:4:202328:228241,COC1CCN(C2CCN(S(=O)(=O)c3ccccc3-c3ccc(F)c(C(C)=O)c3)CC2)CC1,WRHMNUJZFZZIPP-UHFFFAOYSA-N
-rxn:4:202328:228265,COC1CCN(C2CCN(S(=O)(=O)c3ccccc3-c3ccc(Cl)c(C(C)=O)c3)CC2)CC1,VCIGWXQOIOSFGX-UHFFFAOYSA-N
-rxn:4:202328:228283,COC1CCN(C2CCN(S(=O)(=O)c3ccccc3-c3ccc(F)cc3C(C)=O)CC2)CC1,KMSYGLQAICEKRR-UHFFFAOYSA-N
-rxn:4:202328:228937,COC1CCN(C2CCN(S(=O)(=O)c3ccccc3-c3c(F)cnc(Cl)c3C)CC2)CC1,DPFWRWKGOWDTNJ-UHFFFAOYSA-N
-rxn:4:202333:225920,COc1cc(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)ccc1-c1cc(C)ccc1OCC(F)(F)F,TXWDBBMFRDXPME-UHFFFAOYSA-N
-rxn:4:202337:223168,Cc1ccc(S(=O)(=O)N2CCOC23CCN(C(=O)c2ccc(-c4cccnc4N4CCNCC4)o2)CC3)cc1,NLKQBXDTNIPCPH-UHFFFAOYSA-N
-rxn:4:202337:225295,Cc1ccc(S(=O)(=O)N2CCOC23CCN(C(=O)c2ccc(-c4ccccc4S(=O)(=O)N4CCCC4)o2)CC3)cc1,XSKHVGHLTNSYHR-UHFFFAOYSA-N
-rxn:4:202520:226272,CCN(C)C(=O)c1cccc(-c2ccc([N+](=O)[O-])c3c2CN(C(=O)OC(C)(C)C)CC3)c1,NXZKWVNSIKMRLI-UHFFFAOYSA-N
-rxn:4:202597:224221,CCCCCN1C(=O)C(=C2SC(=S)N(C)C2=O)c2cc(-c3c(OCc4ccccc4)ccc(F)c3F)ccc21,NXQCVZSZZNHYFN-UHFFFAOYSA-N
-rxn:4:202598:222604,CCCCN1C(=O)C(=C2SC(=S)N(CC)C2=O)c2cc(-c3ccc(OC)c(S(=O)(=O)NC4CCCC4)c3)ccc21,ZKVRGFPYNDRCDQ-UHFFFAOYSA-N
-rxn:4:202604:224929,CCOC(=O)C1=C(C)N=C2SCCC(=O)N2C1c1ccc(-c2c(OC)cc3ccccc3c2OC)cc1,KWTRYEZWCUMFJU-UHFFFAOYSA-N
-rxn:4:202675:223941,CC(C)[Si](C(C)C)(C(C)C)n1cc(-c2ccc3c(c2)CC(=O)N3C(=O)OC(C)(C)C)c2cccnc21,HGOGJXKSINKWMY-UHFFFAOYSA-N
-rxn:4:202677:222675,COc1cc(-c2ccnc3c2ccn3[Si](C(C)C)(C(C)C)C(C)C)ccc1NC(=O)OC(C)(C)C,RYOIUIWTLZXLNU-UHFFFAOYSA-N
-rxn:4:202680:224719,CC(C)c1nn(C(=O)OC(C)(C)C)cc1-c1cnc2c(ccn2[Si](C(C)C)(C(C)C)C(C)C)c1Cl,LQQIXIHCCRYURA-UHFFFAOYSA-N
-rxn:4:202685:222816,COc1ccc(-c2ccc3c(ccn3CCC(=O)N3CCC4(CC3)OCCO4)c2)cc1S(=O)(=O)NC(C)C,MLGOCSGFMVDXBX-UHFFFAOYSA-N
-rxn:4:202686:227751,CCOC(=O)N1CCC(N2Cc3cc(-c4ccc(C(F)(F)F)c(Cl)c4)ccc3OCC2=O)CC1,QNBGHKDIYUJLEI-UHFFFAOYSA-N
-rxn:4:202692:228936,COc1ccc(-c2c(F)ncc(Cl)c2C)c(C(=O)N2CC(N3C(=O)C4CC=CCC4C3=O)C2)c1,KGIZKIVUUAEXBX-UHFFFAOYSA-N
-rxn:4:202711:224805,CCOC(=O)c1cc(-c2nc3cc([C@H]4CC[C@H](C)CN4C(=O)OC(C)(C)C)ccc3s2)cc(C(F)(F)F)c1,IATNJDYNQCIXQT-KSFYIVLOSA-N
-rxn:4:202712:223077,CC(C)(C)OC(=O)N1CCC[C@H](N2Cc3cc(-c4ccc(S(=O)(=O)NC5CC5)cc4)ccc3C2=O)C1,GXXRBSLDYWPOHE-QFIPXVFZSA-N
-rxn:4:202726:223900,CC(C)(C)OC(=O)N1CCC(N2CCc3cc(-c4ccc(CCO[Si](C)(C)C(C)(C)C)c(F)c4)ccc32)CC1,TYMWCFAWIVMRPZ-UHFFFAOYSA-N
-rxn:4:202729:223038,CCCCN1C(=O)C(=C2SC(=S)N(C3CCCC3)C2=O)c2cc(-c3ccc(Cl)c(C(=O)NC(C)C)c3)ccc21,HKWRDRJFQGTGAR-UHFFFAOYSA-N
-rxn:4:202742:222613,CCCNS(=O)(=O)c1ccc(-c2cc(C)c(S(=O)(=O)N3CCN=C3Cc3cccc4ccccc34)cc2C)c(C(F)(F)F)c1,QXFPFLPGDIWCBT-UHFFFAOYSA-N
-rxn:4:202750:225772,COc1c(Cl)cc(-c2ccc(S(=O)(=O)c3c(C(=O)N4CCC(C)CC4)cnc4ccc(F)cc34)cc2)cc1OC(C)C,MDJWTVCGWOCUOO-UHFFFAOYSA-N
-rxn:4:202807:222541,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2ccc(C(=O)NCCN3CCCCC3)cc2)cc1,YJSSQKGIQMQQMK-UHFFFAOYSA-N
-rxn:4:202819:224010,COc1ccc(C2=NN3C(C2)c2cc(-c4cc(S(=O)(=O)N5CCOCC5)ccc4OC)ccc2OC3c2ccc(C(C)C)cc2)cc1,IIJVHQVOMOPQQE-UHFFFAOYSA-N
-rxn:4:203504:223503,CC(C)(C)OC(=O)N1CCC(Oc2cc(F)c(-c3ncccc3/C=N/[S@](=O)C(C)(C)C)c(F)c2)CC1,OAIAOPZJLGIBTJ-NUMZARBESA-N
-rxn:4:203545:222455,O=C(Nc1cccc(C(F)(F)F)c1)c1cccc(-c2ccc(C(=O)N3CC(N4C(=O)CSC4=O)C3)o2)c1,LNSJQZCCDZSSRC-UHFFFAOYSA-N
-rxn:4:203689:224317,CN1CCN(C(=O)c2ccc(-c3cc(C#N)c(C(F)(F)F)cc3N3CCCCC3)c(F)c2)CC1,DEAHTMRFVOBFNE-UHFFFAOYSA-N
-rxn:4:203692:222677,CC(C)(C)OC(=O)NCc1cc(F)ccc1-c1ccc(N2CCC(C(F)(F)F)CC2)c(C#N)c1,MFYRNQWXMCEVNP-UHFFFAOYSA-N
-rxn:4:203693:222723,N#Cc1ccc(-c2cccc(NS(=O)(=O)N3CCOCC3)c2)cc1N1CCCC(C(F)(F)F)C1,XUDTYGOPFQGULL-UHFFFAOYSA-N
-rxn:4:203735:224308,CC(C)(C)[Si](C)(C)Oc1cc(-c2ccc(N3CCN(CC(F)F)CC3)cc2)cc(F)c1F,SONJWPJXILMXSD-UHFFFAOYSA-N
-rxn:4:203767:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(CN4CCC(OC)CC4)cn3)cc2)CC1,PWWJQJBTPHPZQE-ALOJWSFFSA-N
-rxn:4:203783:225407,COc1cc(N2CCC(F)(F)CC2)c(-c2ccc(C3CCCCCC3)cc2)cc1[N+](=O)[O-],AJGMREFQDKQGJV-UHFFFAOYSA-N
-rxn:4:203912:225296,CCN1C(=O)C(=Cc2cc(-c3ccc(S(=O)(=O)N4CCCC4)cc3)cc(Cl)c2OC)N(C)C1=S,JSZPUAZAKNEPEP-UHFFFAOYSA-N
-rxn:4:203936:224376,COc1ccc(-c2cccc(S(=O)(=O)N3CCN(C)CC3)c2)cc1S(=O)(=O)N1CCN(C)CC1,BIADVZYHDKABPT-UHFFFAOYSA-N
-rxn:4:203937:225217,CC1CCCN(c2cc(F)c(-c3ccccc3S(=O)(=O)N3CC(N4CCCC4)C3)cn2)C1,IXQBCCJYVUDLKP-UHFFFAOYSA-N
-rxn:4:203942:223170,COc1cc(OC)c(-c2cnc(C3CCCNC3)nc2)cc1C=C1C(=O)N(C)C(=S)N1C,JYOODGDAJIHBQK-UHFFFAOYSA-N
-rxn:4:203953:223898,CC(C)C(=O)N1CCN(c2ccccc2-c2ccc(N(C(=O)OC(C)(C)C)C(C)C)cc2)CC1,SDSCIFOYDOFYCB-UHFFFAOYSA-N
-rxn:4:203967:223761,CN(C)C1CCN(C(=O)c2cc(-c3ccc(C4CCCN4C(=O)OC(C)(C)C)cc3)ccc2Cl)CC1,NSQACILUXMSFPO-UHFFFAOYSA-N
-rxn:4:204012:225111,COc1ccc(-c2cccc(S(=O)(=O)N3CCC(N(C)C)CC3)c2)c(F)c1OCC(C)C,BAAVCFTYGXEVTD-UHFFFAOYSA-N
-rxn:4:204018:222604,COc1ccc(-c2ccc(CN3CCN(S(C)(=O)=O)C(C)C3)cc2)cc1S(=O)(=O)NC1CCCC1,MYLBPJJEGOZJKN-UHFFFAOYSA-N
-rxn:4:204018:224203,COc1cc(C(=O)N2CCCCC2)ccc1-c1ccc(CN2CCN(S(C)(=O)=O)C(C)C2)cc1,UQAZHHNFYLZDOG-UHFFFAOYSA-N
-rxn:4:204019:224431,Cc1cccc(CN(C(C)C)C(C)C)c1-c1ccccc1CN1CCN(S(C)(=O)=O)C(C)C1,IXIBLVNWORQVBG-UHFFFAOYSA-N
-rxn:4:204023:223670,CC(C)N1CCN(Cc2c(F)cc(-c3cccnc3N3CCN(C(=O)OC(C)(C)C)CC3)cc2F)CC1,HKAWDUQEYYZIGQ-UHFFFAOYSA-N
-rxn:4:204027:222514,COc1ccc(-c2ccccc2CN2CCN(S(C)(=O)=O)C[C@@H]2C)cc1S(=O)(=O)NC1CCCCC1,JZZZASNUWFBUJV-FQEVSTJZSA-N
-rxn:4:204029:223569,CC1CN(S(C)(=O)=O)CCN1Cc1ccc(-c2cnc3c(ccn3[Si](C(C)C)(C(C)C)C(C)C)c2F)cc1,ATCPBLWQFQFZKO-UHFFFAOYSA-N
-rxn:4:204030:224969,Cc1cc(-c2cccc(N3CCN(S(=O)(=O)C(C)C)CC3)c2)ccc1C(=O)OC(C)(C)C,QJRCKEQPEFKCPD-UHFFFAOYSA-N
-rxn:4:204034:224371,COC(=O)C1CCN(c2ncc(-c3cccc(C(F)(F)F)c3N3CCC(N(C)C)CC3)cn2)CC1,WXSSFRWXMSZHDL-UHFFFAOYSA-N
-rxn:4:204038:223991,CN(C)C1CCN(c2ccc(-c3c(F)cc(F)c(O[Si](C)(C)C(C)(C)C)c3F)cc2C(F)(F)F)CC1,NXZZTBCYAOMLLA-UHFFFAOYSA-N
-rxn:4:204069:223571,Cc1cc(-c2ccc(OCCN3C(=O)c4ccccc4C3=O)cc2)ccc1C(=O)N1CCC(N(C)C)CC1,WCMOPXWRAFELOG-UHFFFAOYSA-N
-rxn:4:204097:224582,CC(C)N1CCN(C(C)c2ccccc2-c2cccc(N3CCN(C4CC4)CC3)c2)CC1,LBHKGUUVDZFXCI-UHFFFAOYSA-N
-rxn:4:204115:223071,CCS(=O)(=O)NCc1ccc(-c2ccccc2S(=O)(=O)N2CCCN(C3CCC3)CC2)cc1,YUIHPTVGYIUDRI-UHFFFAOYSA-N
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-rxn:4:204133:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(CN2CCOCC2)c(N2CCCCC2)c1,ALDWIOFJVWXJMO-UHFFFAOYSA-N
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-rxn:4:204170:223135,CC1CCCCN1Cc1ccc(-c2cccnc2C2CCCNC2)cc1N1CCCCC1,PWYFUCWQISHZRG-UHFFFAOYSA-N
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-rxn:4:206706:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cncc(C(=O)N2CCOC(C)C2)c1,KLONTUOSYHQRLD-UHFFFAOYSA-N
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-rxn:4:206900:222466,CN1CCN(Cc2ccccc2-c2cc(C3CCCCC3)nc(C3CCNCC3)c2)CC1,MVGJOPKHQGQEHY-UHFFFAOYSA-N
-rxn:4:206961:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cncc(S(=O)(=O)N2CCCC(C)C2)c1,XAVGPYRUSQNILD-UHFFFAOYSA-N
-rxn:4:206967:224287,CCN(CC)S(=O)(=O)c1c(C)cc(-c2cc(F)c([N+](=O)[O-])c(N3CCC(C)CC3)c2)cc1C,LIFCAOWCVZXMAS-UHFFFAOYSA-N
-rxn:4:207017:224614,Cc1cc(-c2ccc(N(C)C(=O)OC(C)(C)C)cc2)c(Cl)cc1C(=O)N1CCN(C)CC1,ZNZMYFSGHNNGJM-UHFFFAOYSA-N
-rxn:4:207020:222747,Cc1cc(F)c(C(=O)N2CCN(C)CC2)cc1-c1ccc(C(=O)NCC2CCCO2)cc1,MPWRVECLIMCRMT-UHFFFAOYSA-N
-rxn:4:207040:223901,Cc1ccc(CN2CCN(C)CC2)c(-c2ccc(OCCN3CCC(C)CC3)c(Cl)c2)c1,ODRGWCJPZHKYJC-UHFFFAOYSA-N
-rxn:4:207048:223728,CCCCCC1CCC(c2ccc(-c3cncc(CC4CCCN(C)CC4)c3)c(F)c2)CC1,DAOWPEWECKYVMB-UHFFFAOYSA-N
-rxn:4:207072:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(C2CC2)c(N2CCN(C)CC2)c1,PYPVINZAQRHUED-UHFFFAOYSA-N
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-rxn:4:207788:223481,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3ccc(C4SC[C@H]5C(=O)N(c6ccc(Cl)cc6)C(=S)N45)cc3)c(F)c2)CC1,KSMQUQBKRCDVLU-TZYYSAMKSA-N
-rxn:4:207847:222636,Cc1ccc(N2C(=O)N(c3cccc(-c4ccc([C@@H](C)NC(=O)OC(C)(C)C)cc4)c3)C3CS(=O)(=O)CC32)cc1,YQANGZTZXQZQQR-YMDIGOJVSA-N
-rxn:4:207890:222855,COc1cc(-c2cnn(CC34CC5CC(CC(C5)C3)C4)c2C)cc(C2CCCNC2)c1,CVHHBHOQCFEMDP-UHFFFAOYSA-N
-rxn:4:207959:223166,Cc1ccc(C2=NN3C(C2)c2cc(-c4ccc(N5CCNCC5)nc4)ccc2OC3C2CCCCC2)cc1,WZSRAAHUDVXCOL-UHFFFAOYSA-N
-rxn:4:208514:223481,CSc1nc(C)c(-c2ccc(S(=O)(=O)N3CCC(O[Si](C)(C)C(C)(C)C)CC3)cc2F)c(Cl)n1,XCHDCEOIDMGTKH-UHFFFAOYSA-N
-rxn:4:210681:223594,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)cc(-c3ccc(C4=CSC5=NCCN45)cc3)c2)CC1,RBZJTWZHFKFLFF-UHFFFAOYSA-N
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-rxn:4:211033:223813,Cc1cc(-c2ccc(CN3CCC4(CC3)OCCO4)c(F)c2)cnc1N1CC2CCCC2C1,XYPYPAFSJQVFRL-UHFFFAOYSA-N
-rxn:4:211097:223697,O=S(=O)(c1ccc(-c2ccc3c(c2)C2CC(c4ccc(Cl)cc4)=NN2C2(CCCC2)O3)c(C(F)(F)F)c1)N1CCCCC1,HKLBVMPZCSNYJQ-UHFFFAOYSA-N
-rxn:4:211101:226321,Cc1ccc(C2=NN3C(C2)c2cc(-c4ccc(SC5CCCC5)nc4)ccc2OC32CCC(C)CC2)cc1,LHRIMCVMGOKXEZ-UHFFFAOYSA-N
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-rxn:4:212541:224712,CC(=O)OC(OC(C)=O)c1ccc(-c2cncc(OCC3CN(C(=O)OC(C)(C)C)C3)n2)cc1,UHBWFTXCRQKJSI-UHFFFAOYSA-N
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-rxn:4:212584:222792,CC(C)N(Cc1nn(C)cc1-c1cc(NC(=O)OC(C)(C)C)ccc1F)C(=O)OC(C)(C)C,ICCLVSUSOLBJSC-UHFFFAOYSA-N
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-rxn:4:212594:226337,N#Cc1cc(C2CC2)cc(-c2cnc(OC3CCN(C(=O)CSC4CCCC4)C3)nc2)c1Cl,CKKMMVFTYSCMHB-UHFFFAOYSA-N
-rxn:4:212637:223742,CCN(Cc1ccccc1)C(=O)c1ccc(-c2ccc(C(=O)N(C)C3CCN(C(=O)OC(C)(C)C)C3)cn2)cc1,VBUDZTKLJZSKSA-UHFFFAOYSA-N
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-rxn:4:212680:225898,Cc1ccc(OCC2CCN(C(=O)Cc3ccc(F)cc3-c3cnn(CCN4CCOCC4)c3)CC2)nn1,FLBZRNYTZHZWPU-UHFFFAOYSA-N
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-rxn:4:212691:224042,CN(C(=O)c1ccc(-c2ccc(CN3CCc4ccccc43)cc2)nc1)C1CCN(C(=O)OC(C)(C)C)CC1,SARLYFILJLCGJY-UHFFFAOYSA-N
-rxn:4:212720:222964,C#CCCC(=O)Nc1cccc(-c2ccc(C(=O)N(C)C3CCCN(C(=O)OC(C)(C)C)CC3)cn2)c1,OGUKBZLSCRCTOA-UHFFFAOYSA-N
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-rxn:4:212742:223970,Cc1ccc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3C)c(N3CCCC3)c2)cc1S(=O)(=O)N1CCC(C)CC1,KSOMAXLQYOTOIN-UHFFFAOYSA-N
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-rxn:4:212831:224234,COC(=O)CN1C(CN2CCOCC2)=Nc2ccc(-c3cc(OCc4ccccc4)c(F)cc3F)cc2C1c1ccccc1,WZEFOZXFRRUEGD-UHFFFAOYSA-N
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-rxn:4:212914:224645,COc1cc(C(=O)N2CCCC2)ccc1-c1cncc(C(=O)N2CC(Oc3ccnc(C(F)(F)F)c3)C2)c1,IBMCTOSSPVXSBG-UHFFFAOYSA-N
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-rxn:4:212971:223983,CCN1CCN(S(=O)(=O)c2ccccc2-c2nnc(C3CCCN(C(=O)OCc4ccccc4)C3)s2)CC1,IXOLQKSKTULPNV-UHFFFAOYSA-N
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-rxn:4:213097:223166,CC(C)(C)OC(=O)N1CCC(C#N)(c2ccc(-c3ccc(N4CCNCC4)nc3)cn2)CC1,ITKFLMJDUGBSDX-UHFFFAOYSA-N
-rxn:4:213123:223904,CC(C)(C)OC(=O)N1CC(c2cccc(-c3ccccc3CC(=O)N3CCN(c4ccnc(C(F)(F)F)c4)C(=O)C3)c2)C1,VJGQWLVNRXKIQI-UHFFFAOYSA-N
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-rxn:4:213123:226480,CCCCOc1ccc(-c2ccccc2CC(=O)N2CCN(c3ccnc(C(F)(F)F)c3)C(=O)C2)c(F)n1,RJDHYBMKZONIDD-UHFFFAOYSA-N
-rxn:4:213123:226663,O=C(Cc1ccccc1-c1ccc(N2CCSCC2)nc1)N1CCN(c2ccnc(C(F)(F)F)c2)C(=O)C1,WKYJTUHBJFXZNW-UHFFFAOYSA-N
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-rxn:4:213151:222970,CC(C)CNC(=O)c1ccccc1-c1cc(F)c([N+](=O)[O-])c(N2CCN(C(=O)OC(C)(C)C)CC2)c1,PURREAKTGJKZIX-UHFFFAOYSA-N
-rxn:4:213171:223883,Cc1noc(C)c1CC(=O)N1CCC(Oc2ncccc2-c2ccc3c(c2)CCCN3C(=O)OC(C)(C)C)CC1,HLFZGGVQGMVZON-UHFFFAOYSA-N
-rxn:4:213192:227210,CCCCOc1ccc(-c2cc(C(=O)OC(C)(C)C)cc(N3CCN(C(C)=O)CC3)n2)cn1,UKCJWXSHXMQNNZ-UHFFFAOYSA-N
-rxn:4:213199:225281,COc1ccc(-c2cc(Cl)nc(C(=O)OC(C)(C)C)c2)c(C(=O)N2CCC(Oc3nc(C)cc(C)n3)C2)c1,GLHRUYJKLXFRLR-UHFFFAOYSA-N
-rxn:4:213203:224753,Cc1ccc(OCC2CCN(S(=O)(=O)c3ccc(-c4cc(S(=O)(=O)N5CCCC5)ccc4C)cc3)CC2)nn1,LKWBEYYJOOLKSZ-UHFFFAOYSA-N
-rxn:4:213204:222795,Cc1cnc(OCC2CCCN(S(=O)(=O)c3ccccc3-c3ccc(NC(=O)N4CCOCC4)cc3)C2)nc1,CARBRFUKEJGMSC-UHFFFAOYSA-N
-rxn:4:213211:224177,CC(C)COc1cc(-c2ccc(C3=NN(C(=O)c4ccccc4)C(c4ccc([N+](=O)[O-])cc4)C3)cc2)cc(Cl)c1OC(C)C,LJCFPAJOUBXYRR-UHFFFAOYSA-N
-rxn:4:213260:223601,COc1ccc(COc2ncc(-c3cnc(OCC4CCCN(CC5CCS(=O)(=O)CC5)C4)nc3)cc2C(F)(F)F)cc1,ROYSUHFAOFGIFQ-UHFFFAOYSA-N
-rxn:4:213281:223149,CCOc1cc2cn[nH]c2cc1-c1cccnc1OC1CCN(C(=O)C2CCN(S(C)(=O)=O)CC2)CC1,HYBIXNGADGIYBD-UHFFFAOYSA-N
-rxn:4:213281:224896,CS(=O)(=O)N1CCC(C(=O)N2CCC(Oc3ncccc3-c3ccc(C(=O)c4ccccc4)cc3)CC2)CC1,TYIJXJLVTCLZSJ-UHFFFAOYSA-N
-rxn:4:213314:223787,CON(C)C(=O)C(C)Oc1nn(C)c2ccc(-c3ccc(OCCCN4CCN(C)CC4)c(F)c3)cc12,WKJQUJKVNFWOFS-UHFFFAOYSA-N
-rxn:4:213320:225758,COC(=O)c1nc(-c2ccncc2C(=O)OC(C)(C)C)n2c1CN(C(=O)OC(C)(C)C)CC2,MFACHXZPKIOPKE-UHFFFAOYSA-N
-rxn:4:213336:223863,COC(=O)c1nc(-c2ccc(-c3ccc(OCC(C)C)cc3)cc2)n2c1CCN(C(=O)OC(C)(C)C)CC2,CAXXACFUBIJJLZ-UHFFFAOYSA-N
-rxn:4:213337:224617,CCCCC(=O)N1CCN(c2nc3ccc(-c4ccc(OCCN5CCCC5)c(Cl)c4)cc3s2)CC1,UXHIVEMCMYQNKR-UHFFFAOYSA-N
-rxn:4:213339:222396,Cn1nc2cc(-c3ccc(C(=O)NC4CCC(O)CC4)cc3)ccc2c1C(=O)N1CC(S(=O)(=O)Cc2ccco2)C1,YCQOJGAAVNSEGQ-UHFFFAOYSA-N
-rxn:4:213388:222780,CN(C)CCNC(=O)c1cc(F)cc(-c2ccnc3c2ccn3CC2CCN(C(=O)OC(C)(C)C)CC2)c1,OSBVSTPIVYTVFP-UHFFFAOYSA-N
-rxn:4:213395:224667,CN1CCN(Cc2cc(-c3ccc4ccn(CC(=O)N5CCN(S(=O)(=O)c6ccc(F)cc6)CC5)c4c3)ccc2Cl)CC1,BREMMKJWNVGDPN-UHFFFAOYSA-N
-rxn:4:213412:226502,CC(C)CS(=O)(=O)C1CCN(C(=O)c2c3ccc(-c4ccn(C(=O)OC(C)(C)C)c4)cc3nn2C)CC1,WPROHEQNQYIADV-UHFFFAOYSA-N
-rxn:4:213459:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc4c(c3)C(c3ccccn3)=C[C@@H](CCC(=O)OC)c3ncc(C)n3-4)c(F)c2)CC1,MQRYUVOILMQGFF-QIBDARBMSA-N
-rxn:4:213459:223728,CCCCCC1CCC(c2ccc(-c3ccc4c(c3)C(c3ccccn3)=C[C@@H](CCC(=O)OC)c3ncc(C)n3-4)c(F)c2)CC1,MQRYUVOILMQGFF-XZZJRJTHSA-N
-rxn:4:213590:222778,COC(=O)[C@@H]1CCCN1C(=O)c1ncc(-c2cncc(CNC(=O)OC(C)(C)C)c2)cn1,RDWWIZRULNZUGK-KRWDZBQOSA-N
-rxn:4:213601:222545,CN(C(=O)OC(C)(C)C)c1cc(-c2ccc(C(C)(C)NC(=O)OC(C)(C)C)cc2)n(C)n1,TUBUPUUMSOIEDQ-UHFFFAOYSA-N
-rxn:4:213613:223636,CC(C)(C)OC(=O)N1CCCC(c2ccc(-c3ccc(C(=O)N4CCC(Oc5cnccn5)C4)o3)cc2)C1,WMWYZPHHHIYXRI-UHFFFAOYSA-N
-rxn:4:213656:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3cnn(CC4CCN(CC5CC5)C4)c3)c2)CC1,UZUKORGMGVDHHV-UHFFFAOYSA-N
-rxn:4:213680:225313,CN1CCN(c2ccc(-c3cc(N4CCN(CC(F)(F)F)CC4)c([N+](=O)[O-])cc3F)c(F)n2)CC1,CCCPMXXDCFSSBC-UHFFFAOYSA-N
-rxn:4:213692:223178,CONC(=O)c1ccc(F)c(-c2cnn(C(C)C(=O)N3CCC(C(F)(F)F)CC3)c2)c1,DXHQVJXKAAJHRN-UHFFFAOYSA-N
-rxn:4:213693:226842,CC(C(=O)N1CCCC(C(F)(F)F)C1)n1cc(-c2cncc(C(=O)C(F)(F)F)c2)cn1,LPHNJSAYNWBGEM-UHFFFAOYSA-N
-rxn:4:213716:222881,CC(C)OC(=O)N1CCC(n2cc(-c3ccc(C(=O)NC(C)(C)C)cc3F)cn2)CC1,MZBVKAZUNILSOQ-UHFFFAOYSA-N
-rxn:4:213759:223646,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3cnc(C4CCCN4C(=O)OC(C)(C)C)cn3)cc2)C1,NTHKWYKWJTZTGX-UHFFFAOYSA-N
-rxn:4:213781:222723,Cc1csc(CN2CCN(C(=O)c3ccc(-c4cccc(NS(=O)(=O)N5CCOCC5)c4)o3)CC2)n1,HFIQAVGCCLXHSM-UHFFFAOYSA-N
-rxn:4:213794:225210,Cc1nc(N2CCC(C)CC2)ncc1-c1cnn(CC2CN(CC3CCCCO3)C2)c1,AJOMXOCCHQHBAS-UHFFFAOYSA-N
-rxn:4:213816:223698,O=C(c1cccc(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCCC3)c2)c1)N1CCCC(Oc2ncccn2)C1,TXSVEHQJUSGXIN-UHFFFAOYSA-N
-rxn:4:213836:222546,CC(C)(C)OC(=O)N1CCCC(n2nccc2-c2ccc(OCCNC3CCCCC3)c(F)c2)C1,QEDWBUJCFQJFIY-UHFFFAOYSA-N
-rxn:4:213876:222541,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc(C(=O)NCCN4CCCCC4)cc3)nc2)CC1,QOBSSWKKYMUMAV-UHFFFAOYSA-N
-rxn:4:213894:225166,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc(C(=O)N4CCCC4)c(F)c3)cn2)CC1,CSURGBLVXTXKAL-UHFFFAOYSA-N
-rxn:4:213910:222817,COc1ccc(S(=O)(=O)NC2CC2)cc1-c1cccnc1OC1CCN(S(=O)(=O)N2CCOCC2)C1,PSLSZALWUKUFEA-UHFFFAOYSA-N
-rxn:4:213931:224232,O=C(C1CN(c2ncc(C(F)(F)F)cc2-c2cc(Cl)c(OCc3ccccc3)cc2F)CCO1)N1CCCC1,JMSNENHKCHNRTE-UHFFFAOYSA-N
-rxn:4:213937:222819,COc1cc(N2CCN(S(=O)(=O)c3ccccc3-c3ccc(NC(=O)N4CCOCC4)nc3)CC2=O)ccn1,YIBXHAACWONZSH-UHFFFAOYSA-N
-rxn:4:213941:222875,Cc1c(-c2cc(C(=O)NC(C)(C)C)ccc2F)cnn1C1CCN(C(=O)OC(C)(C)C)CC1,VBBKDSHFYOYNHN-UHFFFAOYSA-N
-rxn:4:213972:228693,CCN(C)c1ccc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)c(C(F)(F)F)c2)s1,KHMHQMZHSJKCFK-UHFFFAOYSA-N
-rxn:4:213974:223773,COc1cccc2cc(-c3cccc(N4CCCN(C(=O)OC(C)(C)C)CC4)n3)n(C(=O)OC(C)(C)C)c12,QWTADCJKCVTLFK-UHFFFAOYSA-N
-rxn:4:213974:226476,CCCCOc1ncc(-c2cccc(N3CCCN(C(=O)OC(C)(C)C)CC3)n2)cc1Cl,QQNGELXFFLTOKU-UHFFFAOYSA-N
-rxn:4:213980:226750,COc1ccc(C(F)(F)F)cc1-c1ccnc(C2CCN(C(=O)OC(C)(C)C)CC2C)n1,UJAKWSBJTWOEDZ-UHFFFAOYSA-N
-rxn:4:214010:225061,Cc1nn(C(=O)c2ccccc2-c2ccc(N3CCC(C)CC3)cc2F)c(C)c1S(=O)(=O)N1CCOCC1,VUPMAGGASZAPGY-UHFFFAOYSA-N
-rxn:4:214014:226320,N#CC1(c2ccc(F)c(-c3cncc(C(=O)N4CCCSCC4CN4CCCC4)c3)c2)CC1,DGWJEBDOJCWYEG-UHFFFAOYSA-N
-rxn:4:214027:226236,CCCCOc1ncc(C)cc1-c1cnc(N2CCCC(C(=O)N3CCOCC3)C2)c(C(F)(F)F)c1,WAYGIZWHEPBVSV-UHFFFAOYSA-N
-rxn:4:214029:224410,O=C(C1CCCN(c2ncc(-c3ccc(OCC(F)(F)F)c(C(F)(F)F)c3)cc2C(F)(F)F)C1)N1CCSCC1,XBCZTMXRNSADJN-UHFFFAOYSA-N
-rxn:4:214033:223137,CC(C)[C@H]1COC(c2cc(-c3cncc(C4CCCNC4)c3)cc(C3=N[C@@H](C(C)C)CO3)n2)=N1,LHCGZLUWQKVURM-XTEKXTAFSA-N
-rxn:4:214033:226143,Cc1cc(-c2cc(C3=N[C@@H](C(C)C)CO3)nc(C3=N[C@@H](C(C)C)CO3)c2)cc(C)c1OC(C)C,GERNFVJCNLSUMU-JWQCQUIFSA-N
-rxn:4:214033:228720,Cc1cnn(C(C)C)c1-c1cc(C2=N[C@@H](C(C)C)CO2)nc(C2=N[C@@H](C(C)C)CO2)c1,BRGXGJFGRRPNNG-NHCUHLMSSA-N
-rxn:4:214043:224178,CN1CCN(CCOc2cccc(-c3ccccc3-c3noc(C4CCCN(S(=O)(=O)c5ccc(Cl)cc5)C4)n3)c2)CC1,DWLTVNJQFLLAPA-UHFFFAOYSA-N
-rxn:4:214058:222418,COC1CCN(C2CCN(C(=O)c3cncc(-c4ccc(S(N)(=O)=O)cc4)c3)CC2)CC1,BHIQDOSIAZDUSP-UHFFFAOYSA-N
-rxn:4:214059:225105,CCN(CC)C(=O)c1ccc(-c2ccc(N3CCC4(CC3)CN(C(=O)OC(C)(C)C)C4)nc2)cc1F,GMUXSAPWKRQSKL-UHFFFAOYSA-N
-rxn:4:214082:223523,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc(CN4CCN(C(C)C)CC4)c(N4CCOCC4)c3)c3ccccc23)CC1,KFWYUTUTPSFNJC-UHFFFAOYSA-N
-rxn:4:214083:224368,Cc1ccc(S(=O)(=O)N2CCC(c3nc(-c4ccccc4-c4cnc(Cl)c(N(C)C(=O)OC(C)(C)C)c4)no3)CC2)cc1C,JHZBRIYLQPXCJM-UHFFFAOYSA-N
-rxn:4:214128:223526,COC(=O)c1cc(-c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cc2)c2nc(-c3ccc(C#N)cc3)cn2c1,ASHNESBXMUFMHH-UHFFFAOYSA-N
-rxn:4:214182:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2ccc3c(c2)c(OC(C)C(=O)N2CCCC2)nn3C)cc1,SFWPMFRGFFMPEM-UHFFFAOYSA-N
-rxn:4:214217:223577,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3ccccc3C(=O)N3CCC(Oc4cnc5ccccc5n4)C3)cc2)CC1,CCKVPZQPUHXTKO-UHFFFAOYSA-N
-rxn:4:214255:222758,Cc1cc(-c2cn([Si](C(C)C)(C(C)C)C(C)C)c3ncnc(Cl)c23)ccc1NC(=O)OC(C)(C)C,LERWBODKSFFINP-UHFFFAOYSA-N
-rxn:4:214255:224082,CCC(C(=O)OC(C)(C)C)c1cccc(-c2cn([Si](C(C)C)(C(C)C)C(C)C)c3ncnc(Cl)c23)c1,BXTNJEFWEVZJKU-UHFFFAOYSA-N
-rxn:4:214298:224171,CC(C)c1sc(-c2ccc(OCCCN3CCCC3)c(F)c2)nc1C(=O)N1CCC(c2noc3cc(F)ccc23)CC1,JUEJFZWZUHLXFW-UHFFFAOYSA-N
-rxn:4:214362:224760,CCn1cc(-c2nc(-c3ccc(-c4ccc(S(=O)(=O)N5CCCCC5)cc4)cc3)cs2)c(=O)c2cc(F)c(N3CCCCCC3)cc21,RIYUYWJXKBEGCK-UHFFFAOYSA-N
-rxn:4:214628:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc(C(=O)N4CCN(c5nccs5)C(=O)C4)o3)cc2)CC1,OWCPDTJJFQYVLO-UHFFFAOYSA-N
-rxn:4:214682:222634,CCN1CCN(C(=O)c2ccc(F)c(-c3ccc(OCCNC4CCCC4)c(F)c3)n2)CC1,RSANPQPLEJQJBJ-UHFFFAOYSA-N
-rxn:4:214682:224317,CCN1CCN(C(=O)c2ccc(F)c(-c3ccc(C(=O)N4CCN(C)CC4)cc3F)n2)CC1,ZYNDROGMFXGKEM-UHFFFAOYSA-N
-rxn:4:214707:224321,CC1CCN(S(=O)(=O)c2cccc(-c3cnn(C4CCN(S(=O)(=O)C5CC5)CC4)c3)c2)CC1,MCVRCHUICQXWIX-UHFFFAOYSA-N
-rxn:4:214742:224065,CC1CCN(c2cc(-c3cc(N4CCC(N(C)C)CC4)ccc3C#N)cc(C3CC3)c2)CC1,UZGCSNVQXXFYLP-UHFFFAOYSA-N
-rxn:4:214753:222398,Cc1cc(-c2cnc(C(=O)N3CCN(C(C)C)CC3)c(Cl)c2)ccc1NC(=O)NC1CC1,KAMKRYFFOOYTRE-UHFFFAOYSA-N
-rxn:4:214803:223585,COc1ccc(CN(C)S(=O)(=O)c2ccccc2-c2ccc(N3CCOC(C(=O)N4CCCC4)C3)nc2)cc1,KWYWOTRUFASTTB-UHFFFAOYSA-N
-rxn:4:214805:226470,CCOC(=O)CCc1cc(-c2ccc(N3CCCN(S(=O)(=O)C4CC4)CC3)nc2)cs1,MVUCCMAWXSALNB-UHFFFAOYSA-N
-rxn:4:214818:225383,O=C(C1CCCO1)N1CCN(c2ncc(-c3c(C(F)(F)F)cccc3C(F)(F)F)cc2Cl)CC1,ABJDCOZYQZQQTE-UHFFFAOYSA-N
-rxn:4:214820:226249,CCCCOc1cc(Cl)cc(-c2cnc(N3CCOC(C(=O)N4CCCC4)C3)c(F)c2)c1,IFOQHEJYXFARER-UHFFFAOYSA-N
-rxn:4:214829:223595,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cccnc3N3CCOC(C(=O)N4CCSCC4)C3)cc2F)CC1,SPEAAYJDAZWCEH-UHFFFAOYSA-N
-rxn:4:214836:223028,CCCNC(=O)c1ccc(F)c(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCSCC3)C2)c1,KWKHXKHYPCJCMK-UHFFFAOYSA-N
-rxn:4:214836:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCSCC3)C2)CC1,CMYCAEXEZHOKAA-UHFFFAOYSA-N
-rxn:4:214837:225518,CCCCCOc1ncc(C)cc1-c1cnc(N2CCOC(C(=O)N3CCSCC3)C2)c(Cl)c1,JUYHBSCHZYJIMC-UHFFFAOYSA-N
-rxn:4:214838:223178,CONC(=O)c1ccc(F)c(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)c(F)c2)c1,XHMCCTWGNWNJAH-UHFFFAOYSA-N
-rxn:4:214838:226088,CCN(CC)Cc1ccc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)c(F)c2)cc1,RXVCVUHUDXYGJN-UHFFFAOYSA-N
-rxn:4:214865:226236,CCCCOc1ncc(C)cc1-c1cccnc1N1CCCC(C(=O)N2CCOCC2)C1,DPMTYUVEIJNWGX-UHFFFAOYSA-N
-rxn:4:214866:222546,O=C(C1CCCN(c2ccc(-c3ccc(OCCNC4CCCCC4)c(F)c3)cn2)C1)N1CCOCC1,UXBKFYCOQLNIMY-UHFFFAOYSA-N
-rxn:4:214870:225518,CCCCCOc1ncc(C)cc1-c1cc(Cl)cnc1N1CCCC(C(=O)N2CCOCC2)C1,AJSLLYAYZDBTDK-UHFFFAOYSA-N
-rxn:4:214871:227480,CCCOc1nccc(-c2cnc(N3CCCC(C(=O)N4CCOCC4)C3)c(Cl)c2)c1Cl,LNCLIFYMCJKXBV-UHFFFAOYSA-N
-rxn:4:214885:225711,COC(COc1ccc(-c2cnc(N3CCC(C(=O)N4CCC(F)(F)CC4)CC3)c(Cl)c2)cc1)OC,GIDAPLQOWKITFG-UHFFFAOYSA-N
-rxn:4:214889:222945,CC(C)NS(=O)(=O)c1ccc(-c2ccc(CN3CCN(C)CC3)c(N3CCCC3)c2)cc1F,BRPLEZXJKFPTPB-UHFFFAOYSA-N
-rxn:4:214890:224689,O=C(c1ccc(-c2cncc(C(=O)N3CCCN(C4CCSCC4)CC3)c2)c(Cl)c1)N1CCCCC1,NWFZYSZUZBTJLZ-UHFFFAOYSA-N
-rxn:4:215054:223947,CCN(C(=O)OC(C)(C)C)c1ccc(-c2ncn3c2CCN(C(=O)OC(C)(C)C)C3=O)c(F)c1,PGQLZLCOSBHTLI-UHFFFAOYSA-N
-rxn:4:215061:223999,CC1CCN(S(=O)(=O)c2ccc(F)c(-c3n[nH]c4c3CN(C(=O)OC(C)(C)C)CC4)c2)CC1,BVYURIQLFLGAIS-UHFFFAOYSA-N
-rxn:4:215099:224336,C[C@@H]1Cn2ncc(-c3ccc(N4CCCCC4)cc3C(F)(F)F)c2CN1C(=O)OC(C)(C)C,QZTOKRAVSGBOFA-MRXNPFEDSA-N
-rxn:4:215102:223520,CC(c1ccc(-c2cn3c(n2)CCN(C(=O)OC(C)(C)C)CC3)cc1)N1CCN(C(=O)OC(C)(C)C)CC1,VLJMXUMRQDXQDX-UHFFFAOYSA-N
-rxn:4:215112:224304,CCC(=O)N1CCN(c2nc3ccc(-c4c(F)ccc(O[Si](C)(C)C(C)(C)C)c4Cl)cc3s2)CC1,FQWXQGJAHHKVFC-UHFFFAOYSA-N
-rxn:4:215127:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2ccc3nc(N4CCN(C(=O)C5CC5)CC4)sc3c2)cc1,FRWMCHWZGFSQOO-UHFFFAOYSA-N
-rxn:4:215153:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1ccc(CN2CCC3CN(c4ccccn4)CC32)o1,ONBOWPPBTVHHOR-UHFFFAOYSA-N
-rxn:4:215170:227407,CC(C)(C)c1ncc(Cl)cc1-c1cncc(C(=O)N2CC(N3C(=O)C4CC=CCC4C3=O)C2)c1,LNCPBNLIBSNSHE-UHFFFAOYSA-N
-rxn:4:215232:222999,O=C(C1CCCN(c2ccc3ccc(-c4cc(Cl)cc(C5CCCNC5)c4)cc3n2)C1)N1CCOCC1,PTUIEGVQOSEZLR-UHFFFAOYSA-N
-rxn:4:215250:223788,CCOC(=O)c1ncn2c1CN(C)C(=O)c1cc(-c3ccc(OC4CN(C(=O)OC(C)(C)C)C4)cc3)ccc1-2,ARIIJJZWXDDUEX-UHFFFAOYSA-N
-rxn:4:215288:222868,COc1ccc2[nH]c3c(c2c1)CCN(C1CC(=O)N(c2ccc(-c4ccccc4NC(=O)OC(C)(C)C)cc2)C1=O)C3,SJVIHMSOGXLJPR-UHFFFAOYSA-N
-rxn:4:215295:224970,CC(C)(C)OC(=O)N1CCC2(CC1)c1ccccc1CCn1c(-c3ccc(S[Si](C)(C)C(C)(C)C)cc3)cnc12,GBYCCVXLEBPPEL-UHFFFAOYSA-N
-rxn:4:215302:222837,CC(C)(C)NC(=O)Cc1cccc(-c2ccc3c(c2)C2CC(c4ccc(Cl)cc4)=NN2C2(CCN(Cc4ccccc4)CC2)O3)c1,FUJCAOKGWKOTSS-UHFFFAOYSA-N
-rxn:4:215304:224476,Cc1ccc(C2=NN3C(C2)c2cc(-c4ccc5c(c4)ncn5C4CCCCC4)ccc2OC32CCN(Cc3ccccc3)CC2)cc1,WWNVAGDDVPQPTC-UHFFFAOYSA-N
-rxn:4:215897:222729,CCCc1cc(-c2c(C)nn(S(=O)(=O)N3CCOCC3)c2C)cc(C2CCCNC2)n1,WGNOCEBFEJORKH-UHFFFAOYSA-N
-rxn:4:215904:223997,Cc1cc(-c2ccc(N3CCN(S(C)(=O)=O)CC3)nc2)cc(C)c1S(=O)(=O)N1CCOCC1,IRPMBJICQGQUJO-UHFFFAOYSA-N
-rxn:4:215907:222619,CN1CCN(S(=O)(=O)c2ccc(-c3ccc(CNC(=O)C4CCCCC4)cc3)cn2)CC1,LPWKBTDCIFFXNT-UHFFFAOYSA-N
-rxn:4:215940:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(N4CCC(N(C)C)CC4)cn3)cc2)CC1,KNGTXHNUUOXRQT-RQNOJGIXSA-N
-rxn:4:215941:222584,CN(C)C1CCN(c2cnccc2-c2ccc(OCCCN3CCNCC3)c(F)c2)CC1,MVSGUSYCAWEHRM-UHFFFAOYSA-N
-rxn:4:215941:223785,CCN1CCN(CCOc2ccc(-c3ccncc3N3CCC(N(C)C)CC3)cc2Cl)CC1,WTRLZHHUCFOQLT-UHFFFAOYSA-N
-rxn:4:215941:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccncc3N3CCC(N(C)C)CC3)cc2)CC1,BZYWTRAXWFPXER-RQNOJGIXSA-N
-rxn:4:215943:223992,Cc1ccc(-c2ccnc(N3CCC(N(C)C)CC3)c2)cc1S(=O)(=O)N1CCN(C)CC1,MAYZQKOFMPXXHV-UHFFFAOYSA-N
-rxn:4:215944:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cccc(N4CCC(N(C)C)CC4)n3)c(F)c2)CC1,VNPHXJWFFZJEIO-YHBQERECSA-N
-rxn:4:215944:223728,CCCCCC1CCC(c2ccc(-c3cccc(N4CCC(N(C)C)CC4)n3)c(F)c2)CC1,VNPHXJWFFZJEIO-UHFFFAOYSA-N
-rxn:4:215947:223840,COc1ccc(-c2nc(N3CCCC3)cc(C(C)(C)C)n2)cc1S(=O)(=O)N1CCN(C)CC1,ZWPXPPWFFPMYJS-UHFFFAOYSA-N
-rxn:4:215953:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(N4CCC(N(C)C)CC4)nc3)c(F)c2)CC1,CWCCSMUPURRHCN-YHBQERECSA-N
-rxn:4:215953:223728,CCCCCC1CCC(c2ccc(-c3ccc(N4CCC(N(C)C)CC4)nc3)c(F)c2)CC1,CWCCSMUPURRHCN-UHFFFAOYSA-N
-rxn:4:215955:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnccc3N3CCC(N(C)C)CC3)cc2)CC1,PYTXHAMMWLQXIN-RQNOJGIXSA-N
-rxn:4:215957:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cccnc3N3CCC(N(C)C)CC3)c(F)c2)CC1,FWZCCDKPQASUAJ-YHBQERECSA-N
-rxn:4:215977:224022,CC1CCCN(c2cc(C(C)C)nc(-c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)n2)C1,SCAMIVPXICMGBE-UHFFFAOYSA-N
-rxn:4:215988:224168,CCN(C(=O)OC(C)(C)C)c1cccc(-c2nc(N3CCCC(C)C3)cc(C(C)(C)C)n2)c1,SRUGTAFDPVYGFC-UHFFFAOYSA-N
-rxn:4:216053:223542,COC(=O)c1cc(Cl)nn2c(-c3ccc(OC(F)(F)F)c(S(=O)(=O)N4CCN(C)CC4)c3)cnc12,LXISXGAJFWVTHO-UHFFFAOYSA-N
-rxn:4:216252:224411,CC(=O)N1CCc2c(c(-c3ccc(S(=O)(=O)N(C)C)cc3C(F)(F)F)nn2C2CCOCC2)C1,HTENFJBUCICJSL-UHFFFAOYSA-N
-rxn:4:216319:222922,Cc1cc(C)n(C(=O)C2=C3CCCN3c3cc(-c4ccccc4S(=O)(=O)NC(C)(C)C)ccc3S2(=O)=O)n1,ONQTUTIEQAIXRG-UHFFFAOYSA-N
-rxn:4:217809:223489,Cn1c(=O)n(C)c2cc(S(N)(=O)=O)c(-c3ccc(S(=O)(=O)N4CCC(O[Si](C)(C)C(C)(C)C)CC4)cc3)cc21,HYYOIOGRVFSKRH-UHFFFAOYSA-N
-rxn:4:217860:223843,CCN(CC)S(=O)(=O)c1ccc(-c2cc3n(n2)CC(=O)N(C(C)C)CC3)c(C(F)(F)F)c1,RWAQSYSRLJOXHF-UHFFFAOYSA-N
-rxn:4:217865:223474,C=C1CC2CCC(C1)N2c1ncc(-c2ccc(OCc3ccccc3)c(C34CC5CC(CC(C5)C3)C4)c2)cn1,CSWYZRLALSBGEV-UHFFFAOYSA-N
-rxn:4:218549:223530,CC(C)(C)OC(=O)N1CCN(Cc2ccc(F)cc2-c2ccc3c(c2)nc2n3CC3CCCN3CC2)CC1,WEKVRBDMNZSMAQ-UHFFFAOYSA-N
-rxn:4:218557:224359,CCN(CC)C(=O)c1cc(-c2ccc(OC)c(CCC(=O)N3CC(n4ccnn4)C3)c2)cc([N+](=O)[O-])c1,AQARRMRUPWQGFI-UHFFFAOYSA-N
-rxn:4:218589:223493,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1cnc(OCC2CCCN(S(=O)(=O)c3ccc(C#N)cc3)C2)nc1,ZATDFWHVBQTRQV-UHFFFAOYSA-N
-rxn:4:218600:223491,CC(C)(C)OC(=O)N1CCN(CCn2cc(-c3cc(N4CCN(C(=O)OC(C)(C)C)CC4)cc(C(F)(F)F)c3)cn2)CC1,LLKQKJAMJYQEBD-UHFFFAOYSA-N
-rxn:4:218616:224022,Cn1cc(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c(CN2CCN(C(=O)OCc3ccccc3)CC2)n1,SPTAAECKOAVPEQ-UHFFFAOYSA-N
-rxn:4:218641:226595,CC(C)Oc1c(Cl)ccc(-c2ccccc2CCC(=O)N2CCC(S(=O)(=O)c3nncn3C)CC2)c1F,OOIZQLFCAGXMNX-UHFFFAOYSA-N
-rxn:4:218655:224687,COc1cc(=O)n(C)cc1C(=O)N1CCC(COc2ncc(-c3cc(F)cc(CN4CCC(=O)CC4)c3)cn2)CC1,JMBDTRDCBQKKQH-UHFFFAOYSA-N
-rxn:4:218656:225875,COc1cc(=O)n(C)cc1C(=O)N1CCCC(COc2ncc(-c3ccc(N4CCOCC4)cc3Cl)cn2)C1,MPKOKOSUIPSIHJ-UHFFFAOYSA-N
-rxn:4:218681:224210,CC(=O)N1CCC(C(=O)N2CCC(COc3ncc(-c4cccc(OCc5ccc(F)cc5Cl)c4)cn3)CC2)CC1,VBQVZFJEJBGYKY-UHFFFAOYSA-N
-rxn:4:218681:227114,CC(=O)N1CCC(C(=O)N2CCC(COc3ncc(-c4cc(C5CC5)cc(C)c4Cl)cn3)CC2)CC1,NQGSSBHEZADIFR-UHFFFAOYSA-N
-rxn:4:218686:226002,CC(=O)Oc1cc(-c2cnccc2N2CCC(OCC#CCN3CCN(C)CC3)CC2)ccc1[N+](=O)[O-],VYMTXXUTDLRHEP-UHFFFAOYSA-N
-rxn:4:218698:226120,CCCOc1cc(C)c(-c2ccc(N3CC(C(=O)N4CCN(CCc5ccncc5)CC4)CC3=O)cc2)c(C)c1,XDKWNKVEBQQXBI-UHFFFAOYSA-N
-rxn:4:218703:223812,COc1ccc(-c2cc(N3CCCN(C(=O)Cc4ccccc4-c4cc(F)cc(CN5CCC6(CC5)OCCO6)c4)CC3)[nH]n2)cc1,XSYGYJSDMDQIKN-UHFFFAOYSA-N
-rxn:4:218754:224342,CC(C)(C)OC(=O)N1CCC(n2c(=O)c3scc(-c4cccnc4-c4ccc(C(F)(F)F)cc4)c3n(CC#N)c2=O)CC1,GKWGQLZFUYXPDO-UHFFFAOYSA-N
-rxn:4:218815:222722,O=C(CN1C(=O)CCC1=O)N1CC(Cn2cc(-c3cccc(S(=O)(=O)N4CCC(O)CC4)c3)cn2)C1,GAJPWOPPXUQYPD-UHFFFAOYSA-N
-rxn:4:218868:225182,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3ccnc(OC4CCCCC4)c3Cl)cc2)no1,LBRVZUPLTQJPKL-UHFFFAOYSA-N
-rxn:4:218868:225799,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3cncc(OC4CCOCC4)c3)cc2)no1,BILJJPNRUCAOOX-UHFFFAOYSA-N
-rxn:4:218868:226643,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3ccc(N4CCOCC4)nc3)cc2)no1,CSPJFXHIKQJJDU-UHFFFAOYSA-N
-rxn:4:218885:224391,Cc1cc(S(=O)(=O)N2CCOCC2)ccc1-c1cnc(OCC2CCN(C(=O)c3scnc3C)CC2)nc1,PPFMQNMTTKKWJC-UHFFFAOYSA-N
-rxn:4:218886:224653,Cc1ncsc1C(=O)N1CCCC(COc2ncc(-c3ccc(Cl)cc3OCC3CCCCO3)cn2)C1,VRNMYJLWJKPXON-UHFFFAOYSA-N
-rxn:4:218905:224325,Cc1nc(CN2CCCC(COc3ncc(-c4ccc(C5=CCN(S(C)(=O)=O)CC5)cc4)cn3)C2)co1,RXFAAIALKWGZRB-UHFFFAOYSA-N
-rxn:4:218913:223540,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1cnc(OCC2CCN(Cc3cc(C)no3)CC2)nc1,TUVWRWYROVGJJM-UHFFFAOYSA-N
-rxn:4:218920:223812,COc1cnc(OC2CCN(C(=O)c3cncc(-c4cc(F)cc(CN5CCC6(CC5)OCCO6)c4)c3)CC2)nc1,QLSYBAJKFYERDH-UHFFFAOYSA-N
-rxn:4:218943:224126,CCN1CCN(C(C)c2cccc(-c3cnc(N(C)C4CCN(C(=O)OC(C)(C)C)C4)cn3)c2)CC1,GCLFELMNHQWCCN-UHFFFAOYSA-N
-rxn:4:218963:225920,Cc1ccc(OCC(F)(F)F)c(-c2cnn(C)c2C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1,ABGYQVPRQJVVRB-UHFFFAOYSA-N
-rxn:4:218971:224759,Cc1nc(C)c(C(=O)N2CCC(COc3ncc(-c4cc(F)cc(C(=O)N5CCOCC5)c4)cn3)CC2)s1,MGKHDGDMLZVEIO-UHFFFAOYSA-N
-rxn:4:218995:222573,Cc1cc(C)n(CCN2CCN(C(=O)c3ccc(-c4cc(F)cc(C(=O)NCC5CCCCC5)c4)o3)CC2)n1,HVSCHDIDZGLCFB-UHFFFAOYSA-N
-rxn:4:219036:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cccnc1OC1CCN(C(=O)c2sc(-n3cccc3)nc2C)CC1,ZIEWYNJTIDTTTD-UHFFFAOYSA-N
-rxn:4:219048:225727,CCOC(=O)c1ccc(OC)c(-c2ccc(S(=O)(=O)N3CCC(N(c4ccncn4)C4CC4)CC3)cc2)c1,RIWOLMHCJWXZRE-UHFFFAOYSA-N
-rxn:4:219093:223898,CCC(=O)C1=C(c2ccc(-c3ccc(N(C(=O)OC(C)(C)C)C(C)C)cc3)cc2)N(C(=O)CC)n2cnnc2S1,BNWDLFQVDVPAEL-UHFFFAOYSA-N
-rxn:4:219120:225313,CN1CCN(c2ccc(-c3cncc(C(=O)N4CC5CCCC5(COc5ncc(F)cn5)C4)c3)c(F)n2)CC1,HTPODIRYXSOHCJ-UHFFFAOYSA-N
-rxn:4:219120:225977,O=C(c1cncc(-c2cc(Cl)cnc2N2CCOCC2)c1)N1CC2CCCC2(COc2ncc(F)cn2)C1,XTSATQCTOIBRTL-UHFFFAOYSA-N
-rxn:4:219130:224065,COc1ccc2[nH]c(CN3CCN(C(=O)c4ccc(-c5cc(C6CC6)cc(N6CCC(C)CC6)c5)o4)CC3)nc2c1,JXYRVXKOZLNSQN-UHFFFAOYSA-N
-rxn:4:219134:225054,CC1CCCCN1c1ccc(-c2ccccc2CC(=O)N2CC3CN(c4ccc(C#N)cn4)CC3C2)c(Cl)c1,ITBVDZLDRNKALY-UHFFFAOYSA-N
-rxn:4:219182:224285,COc1ccc(-c2ccc(OCCN3CCOCC3)cc2F)c(C(=O)N2CCN(C(=O)c3cc4n(n3)CCCC4)CC2)c1,BWTITOXYHMYZJG-UHFFFAOYSA-N
-rxn:4:219244:224484,CC(C)N(C(=O)c1ccccc1-c1ncnn1C1CN(C(=O)OC(C)(C)C)C1)C(C)C,BPHYGSZFSIPBII-UHFFFAOYSA-N
-rxn:4:219271:222897,CCCCNS(=O)(=O)c1cccc(-c2cnc(N3CCN(CC(F)(F)F)CC3)c([N+](=O)[O-])c2)c1,OQMIBMDGFXQGSD-UHFFFAOYSA-N
-rxn:4:219348:223728,CCCCCC1CCC(c2ccc(-c3cnccc3OC3CCN(c4nccnc4OC)C3)c(F)c2)CC1,XGPWPXHNNRTPPU-UHFFFAOYSA-N
-rxn:4:219389:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1cnc(OC2CCCN(S(=O)(=O)c3cccnc3)C2)nc1,SZYUPYOYDVFASD-UHFFFAOYSA-N
-rxn:4:219403:224992,O=C1CCN(Cc2ccccc2-c2cnn(CC3CN(C4CCN(C5CC5)C4=O)C3)c2)CC1,YRNLNQFDAHYALO-UHFFFAOYSA-N
-rxn:4:219404:223941,CC(C)(C)OC(=O)N1CCN(c2cncc(-c3ccc4c(c3)CC(=O)N4C(=O)OC(C)(C)C)n2)CC1,PAKNOVDNIDZZBE-UHFFFAOYSA-N
-rxn:4:219410:223285,CS(=O)(=O)Nc1ccccc1-c1cnc(OC2CCN(S(=O)(=O)N3CCOCC3)C2)nc1,MIRSCKGRGZXRDK-UHFFFAOYSA-N
-rxn:4:219439:224379,CN1CCN(S(=O)(=O)c2ccccc2-c2cccc(CN3CCN(c4nccc(C(F)(F)F)n4)CC3)c2)CC1,AUIZVWRHQJYQPZ-UHFFFAOYSA-N
-rxn:4:219452:223107,COc1ncc(-c2nc(C)nn2C2CCN(C(=O)OC(C)(C)C)CC2)cc1NS(C)(=O)=O,SAUMVCAIMHSESF-UHFFFAOYSA-N
-rxn:4:219453:224750,CC(C)N1CCC(N2CC(Cn3cc(-c4ccc(Cl)c(C(=O)N5CCOCC5)c4)cn3)C2)C1=O,GTGFSFQWCBKRQX-UHFFFAOYSA-N
-rxn:4:219454:224082,CCC(C(=O)OC(C)(C)C)c1cccc(-c2nnn(C3CCN(C(=O)OC(C)(C)C)CC3)c2C)c1,OSQIHCWXDDSRDN-UHFFFAOYSA-N
-rxn:4:219462:226281,CN(C)C(=O)Cc1ccc(-c2cnc(OC3CCCN(S(=O)(=O)N4CCCC4)C3)nc2)cc1,HLELUTDYSHFKIX-UHFFFAOYSA-N
-rxn:4:219479:225000,O=C(c1cc(-c2ccc(CN3CCCCC3)c(F)c2)ccc1Cl)N1CCCN(S(=O)(=O)c2c[nH]cn2)CC1,SOJCBEGDTIZZCK-UHFFFAOYSA-N
-rxn:4:219506:224011,CN1CCN(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCCN(S(=O)(=O)c5c[nH]cn5)CC4)cc3)cc2F)CC1,PUVBEJOOTGRQLV-UHFFFAOYSA-N
-rxn:4:219506:225469,CC1CCCN(c2ccc(-c3ccc(S(=O)(=O)N4CCCN(S(=O)(=O)c5c[nH]cn5)CC4)cc3)cc2)C1,KHVIKMSUUQOVKK-UHFFFAOYSA-N
-rxn:4:219522:222447,COc1ccc2c(c1-c1cncc(C(=O)N3CCC(Oc4cc(C)nc(C)n4)CC3)c1)N=C(NC(=O)OC(C)(C)C)C2,HWCRHPXKDPUYPT-UHFFFAOYSA-N
-rxn:4:219529:225093,CCCOc1c(Cl)cc(-c2cnc(N3CCCC(C(=O)N4CCOCC4)C3)nc2OC)cc1OCC,KBNDQZAJNISPHJ-UHFFFAOYSA-N
-rxn:4:219531:226231,CCCCOc1ncc(-c2cnc(SC)nc2N2CCOC(C(=O)N3CCCCC3)C2)cc1C,KBXPOHJVRIYEPX-UHFFFAOYSA-N
-rxn:4:219560:226552,CCCOc1c(F)cc(-c2ccccc2C(=O)N2CCCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)cc1Cl,JAVHXYIZCPUWPJ-UHFFFAOYSA-N
-rxn:4:219569:225544,COc1ccc(-c2cc([N+](=O)[O-])c(OC)cc2N2CCC(N3CCN(C)CC3)CC2)cc1OCC(C)C,NBCANUUOADXSNX-UHFFFAOYSA-N
-rxn:4:219653:224392,Cc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1ccc2nc(N3CCN(C(=O)OC(C)(C)C)CC3)sc2n1,KZHLVKVJFNYSNM-UHFFFAOYSA-N
-rxn:4:219653:224398,Cc1cc(F)c(-c2ccc3nc(N4CCN(C(=O)OC(C)(C)C)CC4)sc3n2)cc1S(=O)(=O)N1CCCC1,OALPKMMXDOVJMT-UHFFFAOYSA-N
-rxn:4:219654:224658,CC(=O)N1CCN(c2ccc(-c3cc4c(N5CCN(C(=O)OC(C)(C)C)CC5)ncnc4s3)cc2)CC1,JUPUYFLNYSFSBJ-UHFFFAOYSA-N
-rxn:4:219687:225160,CC(C)(C)OC(=O)N1CCC(n2nnc3ccc(-c4ccc(Cl)c(C(=O)N5CCCC5)c4)cc32)CC1,PWZGPEGRCWXELV-UHFFFAOYSA-N
-rxn:4:219690:222584,CC(C)(C)OC(=O)N1CCC(n2nnc3cc(F)c(-c4ccc(OCCCN5CCNCC5)c(F)c4)cc32)CC1,CRSFSLWFICOUMQ-UHFFFAOYSA-N
-rxn:4:219716:224770,Cc1cc(-c2ccc(CC(=O)N3CC4CN(c5cc(C)ncn5)CC4C3)cc2)cc(S(=O)(=O)N2CCCC2)c1,UJWSULBFZFYQCV-UHFFFAOYSA-N
-rxn:4:219717:225109,Cc1ccnc(N2CC3CN(C(=O)Cc4ccc(-c5cccc(OC(=O)OC(C)(C)C)c5)cc4)CC3C2)n1,JGOGAPXGIRNKBN-UHFFFAOYSA-N
-rxn:4:219758:225998,COC(=O)c1cc(-c2ccccc2CC(=O)N2CCN(c3cc4c(nn3)CCCC4)CC2)cc([N+](=O)[O-])c1,FDZCAIUVMSRZNJ-UHFFFAOYSA-N
-rxn:4:219766:225308,O=C(c1cncc(-c2cc(C(F)(F)F)cc(C3CC3)c2Cl)c1)N1CCC(Cn2nc3c(cc2=O)CCCC3)CC1,GXAUOXYQOKVYJK-UHFFFAOYSA-N
-rxn:4:219773:223533,CCn1cc(-c2nc(-c3cccc(-c4ccc(CN5CCN(C(=O)OC(C)(C)C)CC5)cc4F)c3)no2)c(=O)c2cc(F)c(N3CCOCC3)cc21,YPQDSPZLMUONHA-UHFFFAOYSA-N
-rxn:4:219780:222628,CC(=O)N1CCc2c(c(N3CCCc4cc(-c5cc(C6CCC6)nc(C6CCCNC6)c5)c(C(F)F)cc43)nn2C2CCOCC2)C1,SCKUDTYKBXVVJP-UHFFFAOYSA-N
-rxn:4:219907:222523,Cc1c(C(=O)N2CCOCC2)nnn1-c1ccc(-c2ccc(S(=O)(=O)NC(C)(C)C)cc2C(F)(F)F)cc1,IEUPZJWTDSJJKO-UHFFFAOYSA-N
-rxn:4:219935:223669,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc(CN4CCN(c5ccncn5)CC4)cc3)cn2)CC1,VQGBWQXEUWFKQE-UHFFFAOYSA-N
-rxn:4:219959:222895,CCCCS(=O)(=O)Nc1ccc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)nc2)cc1,OSYPCBUIWUYGEB-UHFFFAOYSA-N
-rxn:4:219959:225893,COCCOc1c(Cl)ccc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)nc2)c1F,GRCBGKDTZDTRQE-UHFFFAOYSA-N
-rxn:4:219959:225895,COCCOc1cc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)nc2)cc(Cl)c1F,FIXHHGPUBMEBES-UHFFFAOYSA-N
-rxn:4:219959:225896,COCCOc1cc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)nc2)c(F)cc1F,IBMHRQMVVYDUIF-UHFFFAOYSA-N
-rxn:4:219975:223532,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)cc(-c3cnc(N4CCOC(C(=O)N5CCCCC5)C4)nc3)c2)CC1,JXLNAKNRDDUJJL-UHFFFAOYSA-N
-rxn:4:219975:223533,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cnc(N4CCOC(C(=O)N5CCCCC5)C4)nc3)c(F)c2)CC1,YIVOCVWMFZWMHL-UHFFFAOYSA-N
-rxn:4:219981:222395,O=C(NC1CCC(O)CC1)c1cccc(-c2cnc(N3CCCC(C(=O)N4CCSCC4)C3)nc2)c1,FRPTWFXFBJRXTI-UHFFFAOYSA-N
-rxn:4:219988:225093,CCCOc1c(Cl)cc(-c2cnc(N3CCCC(C(=O)N4CCOCC4)C3)nc2)cc1OCC,ONZZRHGYWFCASG-UHFFFAOYSA-N
-rxn:4:220122:223728,CCCCCC1CCC(c2ccc(-c3cnccc3OC3CCN(c4ncnc5c4CCC5)C3)c(F)c2)CC1,NZEBYMIGOWHDQJ-UHFFFAOYSA-N
-rxn:4:220132:222872,COc1cc(C(=O)NC2CC2)ccc1-c1ccc2c(N3CC(C(=O)N4CCCC4)CC3=O)[nH]nc2c1,GTKNDHHXORMDAK-UHFFFAOYSA-N
-rxn:4:220134:222786,CC(C)(C)OC(=O)Nc1cc(F)cc(-c2ccccc2S(=O)(=O)N2C3CCC2CC(n2ccnn2)C3)c1,ZMKWILFKEOCHQA-UHFFFAOYSA-N
-rxn:4:220136:222398,Cc1cc(-c2ccc3ncnc(N4CCN(S(=O)(=O)C5CC5)CC4)c3c2)ccc1NC(=O)NC1CC1,BZQYXZWXBCTLNY-UHFFFAOYSA-N
-rxn:4:220404:223979,CN1CCN(C(=O)c2cnn(C)c2-c2cc(C(=O)N3CCCCC3)cc([N+](=O)[O-])c2)CC1,XPEOTPNOUNRYKN-UHFFFAOYSA-N
-rxn:4:220540:224411,Cc1cc(C)cc(N2C(=O)C3N=NN(c4ccc(-c5ccc(S(=O)(=O)N(C)C)cc5C(F)(F)F)cc4)C3C2=O)c1,NQMMIOIYGYBXJL-UHFFFAOYSA-N
-rxn:4:220935:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cnc4ccc(N5CCOCC5)nn34)c2Cl)CC1,FFJFBKDAWDJKFV-UHFFFAOYSA-N
-rxn:4:221108:222478,Cc1ccccc1CNC(=O)c1ccc(Cl)c(-c2cnc(OCC3CCN(C(=O)Cn4cnc(C)c(C)c4=O)CC3)nc2)c1,FVFAFLLWYULTDB-UHFFFAOYSA-N
-rxn:4:221152:223753,Cc1ccc(-c2cnc(OCC3CCCN(C(=O)c4snnc4C)C3)nc2)cc1OCCCN1CCN(C)CC1,SDASDIANFGSDNC-UHFFFAOYSA-N
-rxn:4:221152:224196,CCN1CCN(Cc2cc(F)cc(-c3cnc(OCC4CCCN(C(=O)c5snnc5C)C4)nc3)c2)CC1,IDTAQJQSOOAGKR-UHFFFAOYSA-N
-rxn:4:221169:224325,Cn1cc(S(=O)(=O)N2CCCC(COc3ncc(-c4ccc(C5=CCN(S(C)(=O)=O)CC5)cc4)cn3)C2)cn1,BMNSFQVNLJZDLW-UHFFFAOYSA-N
-rxn:4:221175:223784,CCN1CCN(CCOc2ccc(-c3cnc(OC4CCN(C(=O)N5CCN(CC)C(=O)C5=O)C4)nc3)cc2F)CC1,PETFXQNSKVCYBX-UHFFFAOYSA-N
-rxn:4:221177:224257,CC1CCCCN1C(=O)c1ccc(Cl)c(-c2cnc(N3CCC(COc4cc(C5CC5)ncn4)CC3)nc2)c1,YUUWBBIREFNCAW-UHFFFAOYSA-N
-rxn:4:221179:224285,Fc1cc(OCCN2CCOCC2)ccc1-c1cnc(OCC2CCCN(c3ccnc(C4CC4)n3)C2)nc1,OHKPDEMDIASAEU-UHFFFAOYSA-N
-rxn:4:221194:224325,CC(C)c1nc(S(=O)(=O)N2CCC(Oc3ncc(-c4ccc(C5=CCN(S(C)(=O)=O)CC5)cc4)cn3)CC2)cn1C,ODYXHDUIMOJMEE-UHFFFAOYSA-N
-rxn:4:221194:226583,CC(C)c1nc(S(=O)(=O)N2CCC(Oc3ncc(-c4ccc(CN5CCOCC5)s4)cn3)CC2)cn1C,LXYKBXMTVLPXHY-UHFFFAOYSA-N
-rxn:4:221196:224056,CCC[C@H]1CC[C@H](c2ccc(-c3cnc(OC4CCCN(C(=O)c5cnn(-c6ccccc6)c5C)C4)nc3)c(F)c2)CC1,ALDCGFGLJARXEF-CGZQIQLYSA-N
-rxn:4:221207:225257,CCOC(=O)COc1cc(F)cc(-c2ccc(CCN3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)c1,LMOTWZAKBSYXBA-UHFFFAOYSA-N
-rxn:4:221208:224197,CCN1CCN(Cc2ccc(-c3ccc(CCN4CCN(c5cc(C)nc(N6CCOCC6)n5)CC4)cc3)cc2F)CC1,BTPASEIEMSBWQH-UHFFFAOYSA-N
-rxn:4:221240:223041,Cn1nc2c(c1CN1CCCC(COc3ncc(-c4cc(C(=O)NC5CC5)ccc4F)cn3)C1)CCC2,CVUMCVXERRYFJM-UHFFFAOYSA-N
-rxn:4:221266:224361,CCOC(=O)Cn1c(=O)c2c(nc3n(-c4ccc(-c5ccc(OC)c(S(=O)(=O)N(CC)CC)c5)cc4)c(C)c(C)n23)n(C)c1=O,JWRLGXOERMDTQV-UHFFFAOYSA-N
-rxn:4:221294:223504,CSc1nccc(N2CC(Cn3cc(-c4ccc(N5CCN(C(=O)OC(C)(C)C)CC5)c([N+](=O)[O-])c4)cn3)C2)n1,ZDHQVRUCORAWOO-UHFFFAOYSA-N
-rxn:4:221310:223809,c1nnc(N2CCCC(COc3ncc(-c4cc(N5CCOCC5)cc(N5CCOCC5)c4)cn3)C2)s1,FGMFWSQDZGADHR-UHFFFAOYSA-N
-rxn:4:221320:223941,Cn1nc(C(=O)N2CC(Cn3cc(-c4ccc5c(c4)CC(=O)N5C(=O)OC(C)(C)C)cn3)C2)ccc1=O,WXMKZHWFPOTZPU-UHFFFAOYSA-N
-rxn:4:221374:223595,Cn1ccnc(N2CCCC(COc3ncc(-c4ccc(N5CCN(C(=O)OC(C)(C)C)CC5)c(F)c4)cn3)C2)c1=O,YBRIKAYEIGZLMG-UHFFFAOYSA-N
-rxn:4:221387:223973,Cc1ncnc(OCC2CCN(c3ncc(-c4ccc(N5CCCC(C)C5)cc4C(F)(F)F)cn3)CC2)c1C,MOXFRXBEWWUFQS-UHFFFAOYSA-N
-rxn:4:221388:223696,Cc1cc(N2CCCC(COc3ncc(-c4ccc(S(=O)(=O)N5CCC6(CC5)OCCO6)cc4)cn3)C2)nc(C)n1,SFFZEYWBRFYRNX-UHFFFAOYSA-N
-rxn:4:221395:222584,O=c1cc(C2CC2)ncn1CC1CCN(c2ncc(-c3ccc(OCCCN4CCNCC4)c(F)c3)cn2)CC1,YMWASFTZIZESJD-UHFFFAOYSA-N
-rxn:4:221398:223945,CN1CCN(C(=O)N2CCC(Oc3ncc(-c4ccc(OCCCN5CCOCC5)c(F)c4)cn3)CC2)CC1,AKUNSSDIPIAORC-UHFFFAOYSA-N
-rxn:4:221433:223055,Cc1cc(N2CCCC2)nc(N2CCN(C(=O)c3ccc(-c4ccc(N5CCNCC5)nc4C)cc3)CC2)n1,WOUOLQTYZLITRW-UHFFFAOYSA-N
-rxn:4:221440:223295,Cc1cc(N2CCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cncc(NS(C)(=O)=O)c4)cc3)CC2)n1,JSXNHBFIGMGOBS-UHFFFAOYSA-N
-rxn:4:221449:223140,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccnc(C5CCCNC5)c4)cc3)CC2)n1,KWXGKNMXJTVWLK-UHFFFAOYSA-N
-rxn:4:221449:223313,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C5(O)CC5)cc4)cc3)CC2)n1,MPVHGUWWZLRUHD-UHFFFAOYSA-N
-rxn:4:221456:222968,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C(=O)NCC(C)C)cc4)cc3)CC2)n1,LGWSSGQIUBXCLP-UHFFFAOYSA-N
-rxn:4:221485:224398,Cc1cc(F)c(-c2c(C)n(S(=O)(=O)c3ncn(S(=O)(=O)N(C)C)n3)c3cc(F)ccc23)cc1S(=O)(=O)N1CCCC1,NFYIPJYQISTDIE-UHFFFAOYSA-N
-rxn:4:221498:222916,CC(C)(C)OC(=O)N1CCN(c2ncnc3[nH]cc(-c4cccc(C(=O)NC5=NCCS5)c4)c23)CC1,PRQUCTQYBQXCFC-UHFFFAOYSA-N
-rxn:4:221633:222465,Cc1ccnc(N2CCN(c3ncc(C(F)(F)F)cc3-c3cc(C4CCCCC4)nc(C4CCCNC4)c3)CC2)n1,UOINPERTUXHNJE-UHFFFAOYSA-N
-rxn:4:221726:222872,COc1cc(C(=O)NC2CC2)ccc1-c1cnc(N2CCC(N(C)C3=NS(=O)(=O)c4ccccc43)CC2)nc1,PZVFHQJBYIYXEX-UHFFFAOYSA-N
-rxn:4:221730:223595,Cc1nc2cc(F)ccc2c(=O)n1CC1CCN(c2ncc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)c(F)c3)cn2)CC1,ZLLAXQFRGFZCLV-UHFFFAOYSA-N
-rxn:4:221730:223671,Cc1nc2cc(F)ccc2c(=O)n1CC1CCN(c2ncc(-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)cn2)CC1,MSZZPZQSVNSDIG-UHFFFAOYSA-N
-rxn:4:221786:224244,Cc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4ccc(Cl)c(C(=O)N5CCC(C)CC5)c4)cc3)c(=O)n2C)cc1C,CLYPDWWOYKINLY-UHFFFAOYSA-N
-rxn:4:221888:223787,CN1CCN(CCCOc2ccc(-c3nc(N4CCN(C)CC4)n(C)n3)cc2F)CC1,JZZITAXINYYICM-UHFFFAOYSA-N
-rxn:4:221935:223811,N#Cc1nccnc1N1CCCC(COc2ncc(-c3ccc(CN4CCC5(CC4)OCCO5)c(Cl)c3)cn2)C1,KQNQMHCEXKVLGF-UHFFFAOYSA-N
-rxn:4:221937:224672,CCN1CCN(c2ccc(-c3cnc(OCC4CCN(C(=O)c5cn(C)nn5)CC4)nc3)c(Cl)c2)CC1,UXADFSRQQPCOFQ-UHFFFAOYSA-N
-rxn:4:221965:222421,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cncc(S(N)(=O)=O)c5)cc4)CC3)nn2)CC1,ZQSHUVGBGJSYBL-UHFFFAOYSA-N
-rxn:4:221975:225346,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(OC)c(S(=O)(=O)N(C)C)c6)cc5)no4)C3C2=O)cc1,XNCZPLSQVZDRJD-UHFFFAOYSA-N
-rxn:4:221986:223185,CCN1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(-c3cnc(C4CNCCO4)nc3)cc2)CC1,MGHFDKCRHAJZEG-UHFFFAOYSA-N
-rxn:4:221988:222718,CCCCn1c2c(=O)n(C)c(=O)n(C)c2n2c(-c3cc(-c4cc(S(=O)(=O)N5CCNCC5)ccc4C)ccc3OC)nnc12,OJYXVZRQOZQOLC-UHFFFAOYSA-N
-rxn:4:222051:224203,COc1cc(C(=O)N2CCCCC2)ccc1-c1ccc(C(=O)N2CCN(c3ccc(-n4nc(C)cc4C)nn3)CC2)cc1,ZPPBYNDEHQMLPV-UHFFFAOYSA-N
-rxn:4:222108:226831,CCCn1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(F)c6)C(=O)C54)n3)cc2)c(C(F)(F)F)n1,XMUWMRIDJFPDHD-UHFFFAOYSA-N
-rxn:4:222132:223755,COc1ccc(-c2ccc(OCCCN3CCC(C)CC3)c(F)c2)cc1-c1nnc2n(CC(C)C)c3c(=O)n(C)c(=O)n(C)c3n12,VOARBQQKQMZOGK-UHFFFAOYSA-N
-rxn:4:222159:223569,CCc1cc(N2CCN(c3ncc(-c4cnc5c(ccn5[Si](C(C)C)(C(C)C)C(C)C)c4F)cn3)CC2)nc(C)n1,CZKJSXKRFYQVEJ-UHFFFAOYSA-N
-rxn:4:222167:224462,Cc1nc(C2CC2)nc(N2CCN(c3ncc(-c4ccc(C5CCN(C6CC6)CC5)cc4)cn3)CC2)c1C,YQULFAIPIJYFMG-UHFFFAOYSA-N
-rxn:4:222167:224571,Cc1nc(C2CC2)nc(N2CCN(c3ncc(-c4ccc(N5CCN(C(C)C)CC5)cc4)cn3)CC2)c1C,ZWGYLVGBDNNEDE-UHFFFAOYSA-N
-rxn:4:222194:224283,CC(C)(C)Oc1ncc(-c2cnc(N3CCN(c4nc(C(C)(C)C)nc5c4CCC5)CC3)nc2)c(OC(C)(C)C)n1,PMKWSQLVPOXCFZ-UHFFFAOYSA-N
-rxn:4:222331:223501,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3cnc(N4CCN(c5nccc(N6CCOCC6)n5)CC4)nc3)cc2Cl)CC1,RUQCOQKDACVVKJ-UHFFFAOYSA-N
-rxn:4:222333:222812,CC(C)(C)OC(=O)Nc1cc(-c2cnc(N3CCN(c4ccc(N5CCOCC5)nn4)CC3)nc2)cnc1Cl,LJVQYRWDLSIGQD-UHFFFAOYSA-N
-rxn:4:222338:223999,Cc1nc(N2CCOCC2)cc(N2CCN(c3ncc(-c4cc(S(=O)(=O)N5CCC(C)CC5)ccc4F)cn3)CC2)n1,QGUUBXGSFLXMRS-UHFFFAOYSA-N
-rxn:4:222374:222584,Cc1cc(C)n(-c2cc(N3CCN(c4ncc(-c5ccc(OCCCN6CCNCC6)c(F)c5)cn4)CC3)nc(C)n2)n1,DGVFJLWGVIBIGG-UHFFFAOYSA-N
-rxn:4:222385:223753,Cc1ccc(-c2cnc(N3CCCN(c4ccc5nnc(C)n5n4)CC3)nc2)cc1OCCCN1CCN(C)CC1,GVIJAGKZUDWDFC-UHFFFAOYSA-N
-rxn:4:222461:187971,CC(C)[Si](C(C)C)(C(C)C)n1ccc2ccc(-c3c(F)cc(F)c4sc(NC(=O)OC(C)(C)C)nc34)cc21,JZTAWMWNBUZBJF-UHFFFAOYSA-N
-rxn:4:222513:177843,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1ccc(S(=O)(=O)CC2CC2)cc1C,WJAIVNFAVQRCLP-UHFFFAOYSA-N
-rxn:4:222522:219534,COc1ccc(-c2cncc(C(=O)N3CCC(n4nc(C5CC5)ccc4=O)CC3)c2)cc1S(=O)(=O)N1CCC(O)CC1,NPGZPXAIQFLKEI-UHFFFAOYSA-N
-rxn:4:222523:204068,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc(N3CCN(C(=O)C(C)(C)C)CC3)cc2)c(C(F)(F)F)c1,WFJQUDKMLOFKEZ-UHFFFAOYSA-N
-rxn:4:222543:199492,CCOC(=O)C(CC(C)C)n1cc(-c2ccc(C3(NC(=O)OC(C)(C)C)CC3)cc2)cn1,IALMFMBOPNFWCA-UHFFFAOYSA-N
-rxn:4:222580:204756,O=C(c1ccc(-c2ccc(S(=O)(=O)NC3CC3)c3ccccc23)cc1)N1CC(N2CC3CCCC3C2)C1,YWOJKQZXADTJDN-UHFFFAOYSA-N
-rxn:4:222581:187677,CC(C)NS(=O)(=O)c1ccc(-c2ccc(C3CC34CCN(C(=O)OC(C)(C)C)CC4)cc2)c2ccccc12,BJURYNAOCITUHK-UHFFFAOYSA-N
-rxn:4:222602:194539,CC(C)Cc1cc(-c2ccc3c(c2)CN(S(=O)(=O)C(C)C)C3)c(S(=O)(=O)NC(C)(C)C)s1,UFWWQFZHKLOZIW-UHFFFAOYSA-N
-rxn:4:222602:215820,CC(C)Cc1cc(-c2ccc(OC3CCN(C)CC3)nn2)c(S(=O)(=O)NC(C)(C)C)s1,RPGXBPHYWWHAEK-UHFFFAOYSA-N
-rxn:4:222613:187352,CCCNS(=O)(=O)c1ccc(-c2cnc([Si](C(C)C)(C(C)C)C(C)C)s2)c(C(F)(F)F)c1,ZINRLYQYPGHIOP-UHFFFAOYSA-N
-rxn:4:222741:209896,c1nn(C2CCOC3(CCOCC3)C2)cc1-c1cc(C2CC2)nc(C2CCCNC2)c1,YYVCLEGMCXQAHL-UHFFFAOYSA-N
-rxn:4:222751:184985,Cc1ccc(-c2ccc(OCC3CN(C(=O)C(C)C)C3)cc2)cc1NC(=O)OC(C)(C)C,DKYFUXSQINYQBA-UHFFFAOYSA-N
-rxn:4:222820:215148,CC(C)(C)NS(=O)(=O)c1ccc(-c2ncc3n2CC(C)(C)N(C(=O)OC(C)(C)C)C3)cc1F,SNVAPWLDNKIBRF-UHFFFAOYSA-N
-rxn:4:222821:174528,COc1ccc(C)c(-c2c(C(C)C)cc(C(C)C)cc2C(C)C)c1-c1ccc(F)c(S(=O)(=O)NC(C)(C)C)c1,JTIGQJLSYQBKFN-UHFFFAOYSA-N
-rxn:4:222940:187205,CC(C)(C)NS(=O)(=O)c1cncc(-c2ccc(Cl)cc2C2CN(C(=O)OC(C)(C)C)C2)c1,ISZVHVVBDGYRNL-UHFFFAOYSA-N
-rxn:4:223071:187092,CCS(=O)(=O)NCc1ccc(-c2cc(CN3CCC(F)(F)CC3)ccc2OC(F)(F)F)cc1,ZCRVEAVUNMINDG-UHFFFAOYSA-N
-rxn:4:223072:187554,CCCNS(=O)(=O)c1ccc(-c2cccc(C(=O)N3CCC(S(=O)(=O)C(C)(C)C)C3)c2)cc1,BCFBLGHSVHWACV-UHFFFAOYSA-N
-rxn:4:223080:199648,CC(C)NS(=O)(=O)c1ccc(-c2cncc(OCC3CCCN3C(=O)OC(C)(C)C)c2)cc1,JWJUZTBHCQFGET-UHFFFAOYSA-N
-rxn:4:223100:187251,CNS(=O)(=O)c1ccc(OC)c(-c2ccc(F)c(CCN3CCCC(C(F)(F)F)C3)c2)c1,YHYCEYCFYWSCRE-UHFFFAOYSA-N
-rxn:5:176856:225451:225498,COC(=O)c1cc(-c2cc(C3CCCCC3)ccc2F)cc(-c2ccc(SC3CCCCC3)cc2)c1OC,RHIDXIJFOJGVTG-UHFFFAOYSA-N
-rxn:5:177180:222994:223061,CCOC(=O)c1c(C)cc(-c2cccc(N3CCC(O)CC3)c2)cc1-c1cc(C2CCNCC2)ncc1F,WUSHYLLYHPVVIP-UHFFFAOYSA-N
-rxn:5:177181:225601:222405,CC(C)OC(=O)c1ccc(-c2ccc(C3(C#N)CCC3)cc2F)c(-c2cccc(C3NC(=O)NC3=O)c2)c1,HKMMWTURGXQEQT-UHFFFAOYSA-N
-rxn:5:177181:225943:223063,CC(C)OC(=O)c1ccc(-c2ccc(C(=O)N3CCOCC3)s2)c(-c2cc(F)nc(C3CCNCC3)c2)c1,IXXFYSQVZKPHGK-UHFFFAOYSA-N
-rxn:5:177182:223008:223056,CCOC(=O)c1cc(C)cc(-c2ccc(N3CCC(O)CC3)nc2)c1-c1cc(C2CCNCC2)ccc1F,ZXDHSGOWUNCRTB-UHFFFAOYSA-N
-rxn:5:177185:226583:223063,CC(C)OC(=O)c1cc(-c2ccc(CN3CCOCC3)s2)ccc1-c1cc(F)nc(C2CCNCC2)c1,JIEAJWGYTNPFKZ-UHFFFAOYSA-N
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-rxn:5:177373:227804:225498,O=[N+]([O-])c1cc(-c2cc(-c3cc(C4CCCCC4)ccc3F)ccc2OCC2OCCO2)c([N+](=O)[O-])s1,LYNVFLWWSDDILW-UHFFFAOYSA-N
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-rxn:5:178295:227276:227937,CCc1cc(N(C)C)ncc1-c1ccc(-c2cccc(SC(C)C)c2)cc1C1(C(=O)OC)CCC(=O)CC1,NKVRZFALCQAUNO-UHFFFAOYSA-N
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-rxn:5:178295:227675:227940,CCc1cc(SC)cc(-c2ccc(-c3cc(OC)c(C)c(F)c3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,IFGLRPOVYUSPGV-UHFFFAOYSA-N
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-rxn:5:178295:228189:227568,CCSc1ccc(F)c(-c2ccc(-c3c(F)cc(OC)cc3OC)cc2C2(C(=O)OC)CCC(=O)CC2)c1,XFPPTYMHDGDLAG-UHFFFAOYSA-N
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-rxn:5:178295:228557:225625,COCc1cccc(-c2ccc(-c3cc(OC4CCCC4)ccc3F)cc2C2(C(=O)OC)CCC(=O)CC2)c1,BCYKPOQKKNWNPK-UHFFFAOYSA-N
-rxn:5:178295:228567:226150,CCC(C)c1sccc1-c1ccc(-c2cccc(SC3CCCC3)c2)cc1C1(C(=O)OC)CCC(=O)CC1,JTYQRIPQGLSKSI-UHFFFAOYSA-N
-rxn:5:178295:228567:227079,CCC(C)c1sccc1-c1ccc(-c2cc(CC(C)C)ccc2F)cc1C1(C(=O)OC)CCC(=O)CC1,VHVRBANPEZTPKD-UHFFFAOYSA-N
-rxn:5:178295:228615:226140,COC(=O)C1(c2cc(-c3cc(C(C)(C)C)ccc3OC)ccc2-c2cc(C)ccc2SC)CCC(=O)CC1,NZPZMSBRUAAKLM-UHFFFAOYSA-N
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-rxn:5:178295:229203:225446,CCc1ccsc1-c1ccc(-c2cc(C)cc(OC3CCCC3)c2)cc1C1(C(=O)OC)CCC(=O)CC1,UTVIEGHMSPUSQP-UHFFFAOYSA-N
-rxn:5:178313:222986:222987,Cc1cc(-c2ccc(O[Si](C)(C)C(C)(C)C)cc2-c2ccc(C3CCNCC3)nc2C)cc(C2CCCNC2)n1,IDNVKHXAKYSNKV-UHFFFAOYSA-N
-rxn:5:178313:222988:222987,Cc1cc(-c2ccc(O[Si](C)(C)C(C)(C)C)cc2-c2ccc(C3CCNCC3)nc2C)cc(C2CCNCC2)n1,VMQODKPQQPXROU-UHFFFAOYSA-N
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-rxn:5:178313:223203:225453,CC(C)(C)[Si](C)(C)Oc1ccc(-c2cccc(C3(O)CCC3)c2)c(-c2cccc(SC3CCCCC3)c2)c1,AXSYGVFBEYJDNK-UHFFFAOYSA-N
-rxn:5:178313:225453:225679,CC(C)(C)[Si](C)(C)Oc1ccc(-c2cccc(SC3CCCCC3)c2)c(-c2ccc(N3CCCCC3)cc2F)c1,PPTHHQIYCNMZJF-UHFFFAOYSA-N
-rxn:5:178313:226064:226069,CC(C)(C)[Si](C)(C)Oc1ccc(-c2ccc(C3CCCCC3)cc2)c(-c2cccc(C3CCCCC3)c2)c1,PINXXIZOYVIHOF-UHFFFAOYSA-N
-rxn:5:178313:226869:226155,CC(=O)c1cc(-c2cc(O[Si](C)(C)C(C)(C)C)ccc2-c2cc(F)cc(OC(F)(F)F)c2)cc(C2CC2)c1,PRAWRQODANEUPH-UHFFFAOYSA-N
-rxn:5:178313:227321:223063,COc1c(-c2ccc(O[Si](C)(C)C(C)(C)C)cc2-c2cc(F)nc(C3CCNCC3)c2)cncc1C1CC1,YBINVTOAEYMGKO-UHFFFAOYSA-N
-rxn:5:178314:226067:225453,CC(C)(C)[Si](C)(C)Oc1cc(-c2ccc(C3=CCCCC3)cc2)ccc1-c1cccc(SC2CCCCC2)c1,VSESDYKCVFGMKF-UHFFFAOYSA-N
-rxn:5:178315:222988:226139,Cc1cc(-c2cc(O[Si](C)(C)C(C)(C)C)cc(-c3cc(C4CC4)cnc3C3CC3)c2)cc(C2CCNCC2)n1,FUOKLNXPLGQNFC-UHFFFAOYSA-N
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-rxn:5:180662:223131:223294,COC(=O)C1=Cc2cc(-c3csc(N4CCNCC4)n3)cc(-c3ccc(N4CCNCC4)cc3)c2OC1,AKFNGHCRVSHEDX-UHFFFAOYSA-N
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-rxn:5:180662:223294:225879,COC(=O)C1=Cc2cc(-c3ccc(N4CCOCC4)cc3F)cc(-c3csc(N4CCNCC4)n3)c2OC1,GPWWRIRUAZXQIJ-UHFFFAOYSA-N
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-rxn:5:180662:226661:226645,COC(=O)C1=Cc2cc(-c3ccnc(N4CCOCC4)c3)cc(-c3cc(N4CCN(C)CC4)cs3)c2OC1,MBPOAVACCBYUMS-UHFFFAOYSA-N
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-rxn:5:180662:226679:226663,COC(=O)C1=Cc2cc(-c3ccc(N4CCSCC4)nc3)cc(-c3cnc(N4CCCC4)cc3F)c2OC1,GXYSQOOTMVLYIZ-UHFFFAOYSA-N
-rxn:5:181627:225832:225654,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(C2OCCO2)cc1-c1ccc(N2CCCC(C)C2)nc1,AFBXLAZZFFJFNQ-UHFFFAOYSA-N
-rxn:5:181904:222957:222998,Cc1cc(-c2ccc(C3OCCO3)c(C)c2-c2cc(F)cc(C3CCCNC3)c2)cc(C2CCCNC2)c1,QTAOSGLJAJIFKO-UHFFFAOYSA-N
-rxn:5:181904:225438:225438,Cc1c(C2OCCO2)ccc(-c2ccc(C(C)N3CCCC3)cc2)c1-c1ccc(C(C)N2CCCC2)cc1,XAKNLLFDBMZNTL-UHFFFAOYSA-N
-rxn:5:181905:225407:226427,Cc1ccc(-c2cc(N3CCC(C)CC3)cs2)c(C2OCCO2)c1-c1ccc(C2CCCCCC2)cc1,QNSNBWGUMWSVRM-UHFFFAOYSA-N
-rxn:5:181905:225514:225633,Cc1ccc(-c2ccc(N3CCCCCC3)nc2)c(C2OCCO2)c1-c1cccc2c1OCC1(CC1)CO2,TYDPXHNPTDZRTN-UHFFFAOYSA-N
-rxn:5:181905:225514:225684,Cc1ccc(-c2ccc(C3CCOCC3)nc2C)c(C2OCCO2)c1-c1cccc2c1OCC1(CC1)CO2,BGZSIZSEZLDDCN-UHFFFAOYSA-N
-rxn:5:181906:225451:225640,Cc1ccc(-c2ccc(SC3CCCCC3)cc2)c(C2OCCO2)c1-c1ccnc(N2CCCCC2C)c1,OTJQLCSDIVQGFH-UHFFFAOYSA-N
-rxn:5:181907:225407:225407,Cc1cc(-c2ccc(C3CCCCCC3)cc2)c(-c2ccc(C3CCCCCC3)cc2)c(C2OCCO2)c1,XQNMNPQAVJZTKQ-UHFFFAOYSA-N
-rxn:5:181907:225472:225466,Cc1cc(-c2cccc(N3CCCCC3C)c2)c(-c2ccc(N3CCCCC3C)cc2)c(C2OCCO2)c1,JNUWUWMRGJJYLW-UHFFFAOYSA-N
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-rxn:5:181907:226571:225407,Cc1cc(-c2cnn(CC3CCOCC3)c2)c(-c2ccc(C3CCCCCC3)cc2)c(C2OCCO2)c1,LAYGOWSIRCSTOO-UHFFFAOYSA-N
-rxn:5:181908:222958:225640,Cc1ccc(-c2cc(C)c(C3OCCO3)cc2-c2ccnc(N3CCCCC3C)c2)cc1C1CCNCC1,NVYSGMSTZHRISG-UHFFFAOYSA-N
-rxn:5:181908:222985:225470,Cc1cc(-c2ccc(C3CCCNC3)nc2C)c(-c2ccc(N3CCC(C)CC3)cc2)cc1C1OCCO1,IELHRDOBQLHTEE-UHFFFAOYSA-N
-rxn:5:181908:222985:226686,Cc1cc(-c2ccc(C3CCCNC3)nc2C)c(-c2c(C)cnn2C2CCCCO2)cc1C1OCCO1,ZCRINDJVVVNAFK-UHFFFAOYSA-N
-rxn:5:181908:223007:226425,Cc1cc(-c2cc(F)cc(C3CCNCC3)c2)c(-c2ccc(N3CCCCC3C)s2)cc1C1OCCO1,QKOGANURJFCYHL-UHFFFAOYSA-N
-rxn:5:181908:223063:225884,Cc1cc(-c2cc(F)nc(C3CCNCC3)c2)c(-c2ccc(C3COCCO3)c(F)c2)cc1C1OCCO1,ZRPDJFPOMVYQJA-UHFFFAOYSA-N
-rxn:5:181908:225451:225674,Cc1cc(-c2ccc(SC3CCCCC3)cc2)c(-c2cnc(C3CCCCC3)cc2F)cc1C1OCCO1,OHNGYOOUXDAKMK-UHFFFAOYSA-N
-rxn:5:181908:225607:223134,Cc1cc(-c2ccc(C(C)N3CCCCC3)s2)c(-c2cnccc2C2CCCNC2)cc1C1OCCO1,LRHAQFASIPENOO-UHFFFAOYSA-N
-rxn:5:181908:225607:225438,Cc1cc(-c2ccc(C(C)N3CCCCC3)s2)c(-c2ccc(C(C)N3CCCC3)cc2)cc1C1OCCO1,HVEMNRBCASWPDJ-UHFFFAOYSA-N
-rxn:5:181908:225831:225674,Cc1cc(-c2cnc(N3CCOCC3)c(C)c2)c(-c2cnc(C3CCCCC3)cc2F)cc1C1OCCO1,HGUFKBIFBRYALS-UHFFFAOYSA-N
-rxn:5:181908:225988:225672,Cc1cc(-c2c(F)cc(C3OCCO3)cc2F)c(-c2cc(F)nc(C3CCCCC3)c2)cc1C1OCCO1,DAZJKPKGSQWFDY-UHFFFAOYSA-N
-rxn:5:181908:226686:225832,Cc1cc(-c2c(C)cnn2C2CCCCO2)c(-c2c(C)nn(C3CCCCO3)c2C)cc1C1OCCO1,IIADOBQFUGBLKO-UHFFFAOYSA-N
-rxn:5:182009:225832:223134,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2cnccc2C2CCCNC2)cc1C1CCOCC1,KQVZYGSYJUSBDD-UHFFFAOYSA-N
-rxn:5:182010:226183:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(C2CCOCC2)c(-c2cnccc2C2CCCCC2)c1,AVZNRCVIXXSVFV-UHFFFAOYSA-N
-rxn:5:182011:223142:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(C2CCOCC2)ccc1-c1ccc(C2CCCNC2)nc1,NGHRLJMXHUDHGC-UHFFFAOYSA-N
-rxn:5:182011:226686:222981,Cc1cnn(C2CCCCO2)c1-c1ccc(C2CCOCC2)cc1-c1ccnc(NC2CCCCC2)c1,GGJRAPXOZQHNPC-UHFFFAOYSA-N
-rxn:5:182012:222958:225607,Cc1ccc(-c2ccc(-c3ccc(C(C)N4CCCCC4)s3)c(C3CCCOC3)c2)cc1C1CCNCC1,PHOQVDLOBNDPNW-UHFFFAOYSA-N
-rxn:5:182012:222958:226686,Cc1ccc(-c2ccc(-c3c(C)cnn3C3CCCCO3)c(C3CCCOC3)c2)cc1C1CCNCC1,CKFQMDHBUFPOBT-UHFFFAOYSA-N
-rxn:5:182012:222987:222960,Cc1cc(-c2ccc(-c3ccc(C4CCNCC4)nc3C)cc2C2CCCOC2)cc(C2CCNCC2)c1,XULXHHYJCNWFHG-UHFFFAOYSA-N
-rxn:5:182012:222987:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(-c2ccc(C3CCNCC3)nc2C)cc1C1CCCOC1,OVEDFXULDBXMAQ-UHFFFAOYSA-N
-rxn:5:182012:225437:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(-c2cccc(CN3CCCCC3)c2)cc1C1CCCOC1,SWIIDHUILHEDFS-UHFFFAOYSA-N
-rxn:5:182012:225832:226197,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2ccc(C3CCCOC3)cc2)c(C2CCCOC2)c1,IJPWEQZGWKCXHB-UHFFFAOYSA-N
-rxn:5:182012:225832:226685,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2cnc(C3CCOCC3)nc2)c(C2CCCOC2)c1,IXYZLWQKQLASIB-UHFFFAOYSA-N
-rxn:5:182013:223007:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2cc(F)cc(C3CCNCC3)c2)cc1C1CCOCC1,YJOFUPNHFKKVJU-UHFFFAOYSA-N
-rxn:5:182013:225832:223147,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2ccc(C3CNCCO3)cc2)c(C2CCOCC2)c1,BIBCXENXRWZSEX-UHFFFAOYSA-N
-rxn:5:183189:222956:225438,Cc1ccc(-c2cc(-c3ccc(C(C)N4CCCC4)cc3)cc3c2OC(C)(C)OC3)c(C2CCCNC2)c1,ZJQOTNUSNCXBTR-UHFFFAOYSA-N
-rxn:5:188447:225798:226867,COC(=O)c1c(-c2c(F)cccc2OC(F)(F)F)cc(-c2ccc(OC3CCOCC3)nc2)cc1[N+](=O)[O-],ICKAQOOMSFDVFP-UHFFFAOYSA-N
-rxn:5:188448:225595:223139,COC(=O)c1cc(-c2ccc(C3CCNCC3)nc2)c([N+](=O)[O-])cc1-c1ccc(F)c(CN2CCCC2)c1,LCIAOWZRAGOISF-UHFFFAOYSA-N
-rxn:5:188868:225976:226583,CC(C)OC(=O)c1ccnc(-c2ccc(CN3CCOCC3)s2)c1-c1ccnc(N2CCOCC2)c1F,GKEJBZKSNCUURA-UHFFFAOYSA-N
-rxn:5:188930:223146:226649,COC(=O)c1cc(S(N)(=O)=O)c(-c2cccc(C3CNCCO3)c2)cc1-c1cccnc1N1CCOCC1,KLCBSSASBQWTKL-UHFFFAOYSA-N
-rxn:5:188930:226901:226844,COC(=O)c1cc(S(N)(=O)=O)c(-c2cccc(S(F)(F)(F)(F)F)c2)cc1-c1ccnc(C(=O)C(F)(F)F)c1,NBFRRGSALCREEL-UHFFFAOYSA-N
-rxn:5:188932:227438:225439,COC(=O)c1cc(-c2cccc(C(C)N3CCCC3)c2)c(S(N)(=O)=O)c(-c2ccnc(C3CCOC3)c2)c1,SEARHKYMAWHMOU-UHFFFAOYSA-N
-rxn:5:189001:223006:225602,COC(=O)C1(c2nc(-c3cc(C4(C#N)CCC4)ccc3F)ccc2-c2ccc(F)c(C3CCNCC3)c2)CC1,CAHRBXAOTVIHIQ-UHFFFAOYSA-N
-rxn:5:189001:225872:226645,COC(=O)C1(c2nc(-c3ccnc(N4CCOCC4)c3)ccc2-c2cc(F)c(F)c(N3CCCC3)c2)CC1,QFTBCHKJAATQBJ-UHFFFAOYSA-N
-rxn:5:189001:225879:226644,COC(=O)C1(c2nc(-c3cncc(N4CCOCC4)c3)ccc2-c2ccc(N3CCOCC3)cc2F)CC1,GTPVKNMZFCPDJH-UHFFFAOYSA-N
-rxn:5:189001:225976:225874,COC(=O)C1(c2nc(-c3ccc(F)c(N4CCOCC4)c3)ccc2-c2ccnc(N3CCOCC3)c2F)CC1,RUKXESXWMFSKJM-UHFFFAOYSA-N
-rxn:5:189001:226413:225976,COC(=O)C1(c2nc(-c3ccnc(N4CCOCC4)c3F)ccc2-c2cccc(N3CCOCC3)c2)CC1,UJRYSROSBOSGFP-UHFFFAOYSA-N
-rxn:5:189001:226420:225976,COC(=O)C1(c2nc(-c3ccnc(N4CCOCC4)c3F)ccc2-c2ccc(F)c(N3CCCC3)c2)CC1,AGYZTTYDPOTIQA-UHFFFAOYSA-N
-rxn:5:189001:226583:225976,COC(=O)C1(c2nc(-c3ccnc(N4CCOCC4)c3F)ccc2-c2ccc(CN3CCOCC3)s2)CC1,MAERSSSIUAIPLK-UHFFFAOYSA-N
-rxn:5:189001:226662:225976,COC(=O)C1(c2nc(-c3ccnc(N4CCOCC4)c3F)ccc2-c2ccc(N3CCN(C)CC3)s2)CC1,XYVPPDZZIYQTHP-UHFFFAOYSA-N
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-rxn:5:189001:226662:225982,COC(=O)C1(c2nc(-c3cnc(N4CCOCC4)cc3F)ccc2-c2ccc(N3CCN(C)CC3)s2)CC1,FBUIMQASAWOQPL-UHFFFAOYSA-N
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-rxn:5:189001:227656:225982,COC(=O)C1(c2nc(-c3cnc(N4CCOCC4)cc3F)ccc2-c2cc(N3CCOCC3)cs2)CC1,HNKUPJUISHGVRB-UHFFFAOYSA-N
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-rxn:5:189079:226662:223058,CCN(C)C(=O)c1ccc(-c2cc(F)nc(C3CCCNC3)c2)c(-c2ccc(N3CCN(C)CC3)s2)c1,RHZNNOWXTMHCSL-UHFFFAOYSA-N
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-rxn:5:189083:226662:223058,CCN(C)C(=O)c1cccc(-c2ccc(N3CCN(C)CC3)s2)c1-c1cc(F)nc(C2CCCNC2)c1,DLQDNUMINPXUQD-UHFFFAOYSA-N
-rxn:5:189209:228312:226440,COc1cnc(C#N)cc1-c1cc(C(=O)ON2C(=O)CCC2=O)cc(-c2cc(F)nc(C3CCCC3)c2)c1,BWMGNETVERZRJF-UHFFFAOYSA-N
-rxn:5:189322:225803:225976,CC(C)(C)OC(=O)c1cc(-c2ccnc(OC3CCOCC3)c2)cnc1-c1ccnc(N2CCOCC2)c1F,ZHHLZSQXOHHBRQ-UHFFFAOYSA-N
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-rxn:5:189539:225581:225507,COC(=O)C1CCc2cc(-c3c(C(=O)N(C)C(C)C)cccc3-c3ccc(CN4CCOCC4)cc3)ccc21,SFPLSXMXPURGSD-UHFFFAOYSA-N
-rxn:5:189662:222985:227710,Cc1nc(C2CCCNC2)ccc1-c1cnc(-c2ccc(OS(C)(=O)=O)cc2)c(OCC2CCOCC2)c1,HDEOTVVYQNMYER-UHFFFAOYSA-N
-rxn:5:189662:222987:227710,Cc1nc(C2CCNCC2)ccc1-c1cnc(-c2ccc(OS(C)(=O)=O)cc2)c(OCC2CCOCC2)c1,JFLPHACAPSETIJ-UHFFFAOYSA-N
-rxn:5:189662:222988:227710,Cc1cc(-c2cnc(-c3ccc(OS(C)(=O)=O)cc3)c(OCC3CCOCC3)c2)cc(C2CCNCC2)n1,OCOUBYODWJJQRF-UHFFFAOYSA-N
-rxn:5:189662:227710:222987,Cc1nc(C2CCNCC2)ccc1-c1ncc(-c2ccc(OS(C)(=O)=O)cc2)cc1OCC1CCOCC1,PDAMEPVEIQRQJU-UHFFFAOYSA-N
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-rxn:5:189665:223061:227023,CC(c1ccc(-c2cc(-c3cc(C4CCNCC4)ncc3F)cnc2OCC2CCOCC2)cc1)N(C)C,FJXDMLNXQUFGRW-UHFFFAOYSA-N
-rxn:5:189665:223061:227024,CC(c1cccc(-c2cc(-c3cc(C4CCNCC4)ncc3F)cnc2OCC2CCOCC2)c1)N(C)C,IJHPPVADGALKTO-UHFFFAOYSA-N
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-rxn:5:189665:223064:227023,CC(c1ccc(-c2cc(-c3ccc(C4CCNCC4)nc3F)cnc2OCC2CCOCC2)cc1)N(C)C,SMBFXDFMEFGEGJ-UHFFFAOYSA-N
-rxn:5:189665:227023:223058,CC(c1ccc(-c2cnc(OCC3CCOCC3)c(-c3cc(F)nc(C4CCCNC4)c3)c2)cc1)N(C)C,MGHGNKBWIFDRMG-UHFFFAOYSA-N
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-rxn:5:189666:226069:225407,CC(C)(C)[S@@](=O)/N=C/c1ccc(-c2ccc(C3CCCCCC3)cc2)c(-c2cccc(C3CCCCC3)c2)c1,PVEXIDKUVCKNIX-SFNAPTHNSA-N
-rxn:5:189667:226067:226146,CC(C)(C)[S@](=O)/N=C/c1cc(-c2ccc(SC3CCCC3)cc2)cc(-c2ccc(C3=CCCCC3)cc2)c1,VXSJRAPMHSDEDH-AVCHYZLGSA-N
-rxn:5:189669:227065:225453,CC(C)C(=O)c1cccc(-c2ccc(/C=N/S(=O)C(C)(C)C)cc2-c2cccc(SC3CCCCC3)c2)c1,VQXGRWHYLMSRHF-PPOKSSTKSA-N
-rxn:5:189673:225407:223203,CC(C)(C)S(=O)/N=C/c1ccc(-c2ccc(C3CCCCCC3)cc2)cc1-c1cccc(C2(O)CCC2)c1,WUMPFXOOLJDFSZ-JWHWKPFMSA-N
-rxn:5:189674:226069:225498,CC(C)(C)S(=O)/N=C/c1ccc(-c2cc(C3CCCCC3)ccc2F)cc1-c1cccc(C2CCCCC2)c1,MLJHBOOFUABCPL-HWLOXFRGSA-N
-rxn:5:189676:225451:227348,COc1ccc(-c2ccc(CC(=O)N3CCCC3)cc2-c2ccc(SC3CCCCC3)cc2)c(C)c1OC,PZURGBGYIFXEIK-UHFFFAOYSA-N
-rxn:5:189718:228383:226661,Cc1cc(-c2cc(OC3CCOCC3)c([N+](=O)[O-])cc2-c2cc(N3CCN(C)CC3)cs2)cnc1C(F)F,IKJFPNOFXVKPMC-UHFFFAOYSA-N
-rxn:5:189908:227501:222988,Cc1cc(-c2ncc(-c3ccc(C=C[N+](=O)[O-])cc3)cc2OCC2CCCCC2)cc(C2CCNCC2)n1,WQHIQJFOLJYICJ-UHFFFAOYSA-N
-rxn:5:189908:227505:222988,Cc1cc(-c2ncc(-c3ccc(/C=C/[N+](=O)[O-])cc3)cc2OCC2CCCCC2)cc(C2CCNCC2)n1,WQHIQJFOLJYICJ-DTQAZKPQSA-N
-rxn:5:189952:223062:222417,COc1c(-c2cnc(C3CCNCC3)cc2F)cc(C(=O)N2CCOCC2)cc1-c1cnc(=O)[nH]c1C(C)C,PZOJTMIEHHYBHG-UHFFFAOYSA-N
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-rxn:5:190000:227029:226183,CC(C)(C#N)c1ccccc1-c1cc(-c2cnccc2C2CCCCC2)ccc1CC(=O)N1CCCCC1,AWULBQIARNYNCN-UHFFFAOYSA-N
-rxn:5:190000:228336:225453,COc1ncc(-c2cc(-c3cccc(SC4CCCCC4)c3)ccc2CC(=O)N2CCCCC2)cc1SC,HIMADGCUGNUDLP-UHFFFAOYSA-N
-rxn:5:190001:226149:227801,COc1ccc(-c2cc(CC(=O)N3CCCCC3)ccc2-c2c(C(F)(F)F)ccnc2F)cc1C(C)(C)C,YUBVEUXWPPMBFR-UHFFFAOYSA-N
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-rxn:5:190127:227055:226150,COc1ccc(-c2ccc(-c3cccc(SC4CCCC4)c3)c(C(=O)N3CCC(OC)CC3)c2)cc1C1CC1,YJYMUJMXIBRYAK-UHFFFAOYSA-N
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-rxn:5:190128:225666:223011,COC1CCN(C(=O)c2ccc(-c3cc(F)cc(N4CCCCC4)c3)c(-c3cc4[nH]ncc4cc3OC(C)C)c2)CC1,GTWISIGFHRBTJQ-UHFFFAOYSA-N
-rxn:5:190128:227935:226068,CCc1cc(-c2ccc(C(=O)N3CCC(OC)CC3)cc2-c2c(C)cc(C(C)(C)C)cc2C)ccc1OC,BFFUAVWUYJMDLF-UHFFFAOYSA-N
-rxn:5:190131:226058:228567,CCC(C)c1sccc1-c1cc(C(=O)N2CCCCC2)cc(-c2c(C(C)C)cccc2C(C)C)c1OC,AKYYHCNEEQRXSB-UHFFFAOYSA-N
-rxn:5:190131:226191:227933,CCc1ccc(OC)cc1-c1cc(C(=O)N2CCCCC2)cc(-c2cc(C3CCCC3)ccc2F)c1OC,VPRWMMVKPKHMHM-UHFFFAOYSA-N
-rxn:5:190132:226150:227935,CCc1cc(-c2cc(-c3cccc(SC4CCCC4)c3)ccc2C(=O)N2CCC(OC)CC2)ccc1OC,RNQIIHMBYAZMPT-UHFFFAOYSA-N
-rxn:5:190194:223064:225508,COC1CCN(Cc2cccc(-c3ccc(C4CCNCC4)nc3F)c2-c2ccc3c(c2)c(C2CC2)nn3C)CC1,ZNXFJMUODHZMDZ-UHFFFAOYSA-N
-rxn:5:190194:223294:227298,COC1CCN(Cc2cccc(-c3csc(N4CCNCC4)n3)c2-c2cc(F)ccc2CN(C)C)CC1,VLNXFBBELCUHMM-UHFFFAOYSA-N
-rxn:5:190194:225407:228154,COc1cccc(OC)c1-c1c(CN2CCC(OC)CC2)cccc1-c1ccc(C2CCCCCC2)cc1,LOKRTSXVDZMADC-UHFFFAOYSA-N
-rxn:5:190194:225453:227073,COc1cc(-c2c(CN3CCC(OC)CC3)cccc2-c2cccc(SC3CCCCC3)c2)cc(C2CC2)c1,WSZZRAGVCWJENA-UHFFFAOYSA-N
-rxn:5:190194:225834:227899,CCC#Cc1cncc(-c2c(CN3CCC(OC)CC3)cccc2-c2cc(N3CCCCC3)ncc2F)c1,WMPBDRICBMCAPS-UHFFFAOYSA-N
-rxn:5:190194:225849:227899,CCC#Cc1cncc(-c2c(CN3CCC(OC)CC3)cccc2-c2cnc(N3CCCCC3)cc2F)c1,NMIBXFZVRJOAES-UHFFFAOYSA-N
-rxn:5:190194:227364:225451,COc1ccc(-c2cccc(CN3CCC(OC)CC3)c2-c2ccc(SC3CCCCC3)cc2)c(OC)c1C,BRLYASDXFUGRPR-UHFFFAOYSA-N
-rxn:5:190194:227587:226146,COc1cc(-c2cccc(CN3CCC(OC)CC3)c2-c2ccc(SC3CCCC3)cc2)cc(F)c1OC,FWFTVNQBRFZYKO-UHFFFAOYSA-N
-rxn:5:190194:227899:225834,CCC#Cc1cncc(-c2cccc(CN3CCC(OC)CC3)c2-c2cc(N3CCCCC3)ncc2F)c1,SWHUDUNEVIMWLK-UHFFFAOYSA-N
-rxn:5:190194:227899:225849,CCC#Cc1cncc(-c2cccc(CN3CCC(OC)CC3)c2-c2cnc(N3CCCCC3)cc2F)c1,YUQAMUBPTULAPR-UHFFFAOYSA-N
-rxn:5:190197:227667:223294,CC(=O)c1ccc(F)c(-c2cc(-c3csc(N4CCNCC4)n3)ccc2CN(C)C2CCOCC2)c1F,JFQIMABCFHIUMY-UHFFFAOYSA-N
-rxn:5:190197:228146:223062,CCc1cncc(-c2cc(-c3cnc(C4CCNCC4)cc3F)ccc2CN(C)C2CCOCC2)c1OC,IGMHBBXPRNBTQF-UHFFFAOYSA-N
-rxn:5:190198:223082:228178,CNS(=O)(=O)c1c(C)cc(-c2cccc(-c3cc(COC)ccc3F)c2CN(C)C2CCOCC2)cc1C,ZNAZBPUJYOUHRD-UHFFFAOYSA-N
-rxn:5:190198:223294:223271,CC(=O)Nc1cc(-c2cccc(-c3csc(N4CCNCC4)n3)c2CN(C)C2CCOCC2)ccc1F,OAJRWXDYHPAHKO-UHFFFAOYSA-N
-rxn:5:190199:222987:223113,Cc1nc(C2CCNCC2)ccc1-c1ccc(-c2ccc3c(c2)C(C)(C)C(=O)N3)cc1CN(C)C1CCOCC1,BJFPPGLOCZDSQD-UHFFFAOYSA-N
-rxn:5:190199:225978:223113,CN(Cc1cc(-c2ccc3c(c2)C(C)(C)C(=O)N3)ccc1-c1ccc(N2CCOCC2)nc1F)C1CCOCC1,MXYQNWGCFFPYMM-UHFFFAOYSA-N
-rxn:5:190200:225931:228145,COc1ccc(C#N)c(-c2cc(CN(C)C3CCOCC3)cc(-c3cc(C)cc(S(=O)(=O)N(C)C)c3)c2)c1,SFXZHDXULNWABY-UHFFFAOYSA-N
-rxn:5:190200:226464:223138,COc1ccc2c(c1-c1cc(CN(C)C3CCOCC3)cc(-c3ccnc(C4CCNCC4)c3)c1)OCCO2,LAUGPAWUAQNFFB-UHFFFAOYSA-N
-rxn:5:190201:222417:225881,CC1CN(CCc2cc(-c3cnc(=O)[nH]c3C(C)C)ccc2-c2ccc(C3CCOCC3)nc2F)CCO1,DINLKRRITYYOEI-UHFFFAOYSA-N
-rxn:5:190201:225655:222417,CC1CCN(c2cncc(-c3ccc(-c4cnc(=O)[nH]c4C(C)C)c(CCN4CCOC(C)C4)c3)c2)CC1,AURNDPIJGZZDSI-UHFFFAOYSA-N
-rxn:5:190201:225978:223113,CC1CN(CCc2cc(-c3ccc(N4CCOCC4)nc3F)ccc2-c2ccc3c(c2)C(C)(C)C(=O)N3)CCO1,QPMYFZNBCSKWIC-UHFFFAOYSA-N
-rxn:5:190264:223062:227804,CC1CCN(C(=O)Cc2ccc(-c3cc([N+](=O)[O-])sc3[N+](=O)[O-])c(-c3cnc(C4CCNCC4)cc3F)c2)CC1,VSJNLANQVQYRFX-UHFFFAOYSA-N
-rxn:5:190299:227277:225809,COc1ccc(-c2ccc(N(C)C)c(C#N)c2)cc1C=C1SC(=O)N(c2ccc(-c3cc(F)ccc3OC3CCOC3)cc2)C1=O,OOPPKKWKSHMNBQ-UHFFFAOYSA-N
-rxn:5:190307:225437:225886,CC1CCN(CCc2cc(-c3cccc(CN4CCCCC4)c3)ccc2-c2ccc3c(ccn3S(C)(=O)=O)c2)CC1,IAJDXJCQPYDABS-UHFFFAOYSA-N
-rxn:5:190335:227756:223064,COc1c(-c2ccc(C3CCNCC3)nc2F)cc(C(=O)N2CCCCC2C)cc1-c1c(F)cccc1C(F)(F)F,KTNQLEPLUPNKAR-UHFFFAOYSA-N
-rxn:5:190336:225469:228606,CCc1ccc(F)c(-c2cc(C(=O)N3CCCC(C)C3)cc(-c3ccc(N4CCCC(C)C4)cc3)c2OC)c1,VTRXZNGRPDCXEB-UHFFFAOYSA-N
-rxn:5:190336:227052:227821,CCc1c(C)cc(C)cc1-c1cc(C(=O)N2CCCC(C)C2)cc(-c2ccc(SC(C)(C)C)cc2)c1OC,PIBUCHTXKNOSJY-UHFFFAOYSA-N
-rxn:5:190459:228308:225449,CCOc1ncc(-c2ccccc2C(=O)N2CCSC(c3ccccc3-c3cccc(OC4CCCCC4)c3)CC2)c(C)n1,BMSZWEMFNWDDTN-UHFFFAOYSA-N
-rxn:5:190484:227076:226154,CCC(C)c1ccc(F)c(-c2cccc(C(=O)N3CCC(c4ccccc4-c4ccc(C(C)(C)C)cc4OC)S(=O)(=O)CC3)c2)c1,HHZZHYXBMUHIQQ-UHFFFAOYSA-N
-rxn:5:190484:227926:227089,CC(C)Sc1ccc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4ccncc4C4CCCC4)S(=O)(=O)CC3)c2)cc1,MYGKFYGEODXJEA-UHFFFAOYSA-N
-rxn:5:190484:228261:226973,CSc1ccc(F)c(C)c1-c1cccc(C(=O)N2CCC(c3ccccc3-c3ccc4c(c3)C(C)(C)CO4)S(=O)(=O)CC2)c1,HVFKCVWAKAMURT-UHFFFAOYSA-N
-rxn:5:190484:228388:226974,Cc1cnc(C(F)F)cc1-c1cccc(C(=O)N2CCC(c3ccccc3-c3ccc4c(c3)COC4(C)C)S(=O)(=O)CC2)c1,MWKXBXZXJQPYPW-UHFFFAOYSA-N
-rxn:5:190484:228800:226085,CSc1ccc(F)cc1-c1cccc(C(=O)N2CCC(c3ccccc3-c3ccc4c(c3)CCC(C)(C)O4)S(=O)(=O)CC2)c1,JJLLXEGALYOTHW-UHFFFAOYSA-N
-rxn:5:190580:225677:223054,CCOC(=O)c1[nH]c2ccc(-c3ccc(C(C)N4CCC(O)C4)s3)cc2c1-c1ccc(C2CCCCC2)nc1F,MHLKYWQYIRVQMQ-UHFFFAOYSA-N
-rxn:5:190584:223054:223063,CCOC(=O)c1cc2c(-c3cc(F)nc(C4CCNCC4)c3)cc(-c3ccc(C(C)N4CCC(O)C4)s3)cc2[nH]1,LSDFOCYNBOSZBW-UHFFFAOYSA-N
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-rxn:5:190740:223061:225588,CCOC(=O)c1cnc2c(C)cc(-c3cc(C4CCNCC4)ncc3F)cc2c1-c1ccccc1CN1CCSCC1,RVKKFEJLUSHSBT-UHFFFAOYSA-N
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-rxn:5:190740:223064:225465,CCOC(=O)c1cnc2c(C)cc(-c3ccc(C4CCNCC4)nc3F)cc2c1-c1cccc(C2CCN(C)CC2)c1,IYBUMQMJBYGBFB-UHFFFAOYSA-N
-rxn:5:190740:223064:225588,CCOC(=O)c1cnc2c(C)cc(-c3ccc(C4CCNCC4)nc3F)cc2c1-c1ccccc1CN1CCSCC1,JGEQSNIVEMRKJJ-UHFFFAOYSA-N
-rxn:5:190740:223064:225834,CCOC(=O)c1cnc2c(C)cc(-c3ccc(C4CCNCC4)nc3F)cc2c1-c1cc(N2CCCCC2)ncc1F,PJCQRXAYROQARG-UHFFFAOYSA-N
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-rxn:5:190740:225674:225598,CCOC(=O)c1cnc2c(C)cc(-c3cnc(C4CCCCC4)cc3F)cc2c1-c1cccc(CN2CCSCC2)c1,SRLGOPWEGCINOT-UHFFFAOYSA-N
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-rxn:5:190740:225833:225464,CCOC(=O)c1cnc2c(C)cc(-c3ccnc(N4CCCCC4)c3F)cc2c1-c1cccc(N2CCCC(C)C2)c1,HZZVXVPCWZROGB-UHFFFAOYSA-N
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-rxn:5:190740:225849:225588,CCOC(=O)c1cnc2c(C)cc(-c3cnc(N4CCCCC4)cc3F)cc2c1-c1ccccc1CN1CCSCC1,ORPFSDLSQAZCFJ-UHFFFAOYSA-N
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-rxn:5:190740:225849:225784,CCOC(=O)c1cnc2c(C)cc(-c3cnc(N4CCCCC4)cc3F)cc2c1-c1ccc(CN2CCOCC2)nc1,LZZRMCQFQSDEMV-UHFFFAOYSA-N
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-rxn:5:190741:223061:225632,CCOC(=O)c1cnc2c(-c3cc(C4CCNCC4)ncc3F)cc(C)cc2c1-c1cccc(N2CCN(C)CC2)c1,HKJIYVIGFPVGBF-UHFFFAOYSA-N
-rxn:5:190741:223061:225833,CCOC(=O)c1cnc2c(-c3cc(C4CCNCC4)ncc3F)cc(C)cc2c1-c1ccnc(N2CCCCC2)c1F,PAKFAKWAPRBPGJ-UHFFFAOYSA-N
-rxn:5:190741:223062:225588,CCOC(=O)c1cnc2c(-c3cnc(C4CCNCC4)cc3F)cc(C)cc2c1-c1ccccc1CN1CCSCC1,RYNNZPHZJPVUOR-UHFFFAOYSA-N
-rxn:5:190741:223064:225465,CCOC(=O)c1cnc2c(-c3ccc(C4CCNCC4)nc3F)cc(C)cc2c1-c1cccc(C2CCN(C)CC2)c1,KCNNSOBINMMDMB-UHFFFAOYSA-N
-rxn:5:190741:223064:225588,CCOC(=O)c1cnc2c(-c3ccc(C4CCNCC4)nc3F)cc(C)cc2c1-c1ccccc1CN1CCSCC1,OPXPRZMKGGVYJX-UHFFFAOYSA-N
-rxn:5:190741:225674:225454,CCOC(=O)c1cnc2c(-c3cnc(C4CCCCC4)cc3F)cc(C)cc2c1-c1ccc(C2=CCN(C)CC2)cc1,UVFGDHGBDUEBOM-UHFFFAOYSA-N
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-rxn:5:190741:225674:225639,CCOC(=O)c1cnc2c(-c3cnc(C4CCCCC4)cc3F)cc(C)cc2c1-c1cccnc1N1CCC(C)CC1,XMMNNPUZNDHTKF-UHFFFAOYSA-N
-rxn:5:190741:225834:225982,CCOC(=O)c1cnc2c(-c3cc(N4CCCCC4)ncc3F)cc(C)cc2c1-c1cnc(N2CCOCC2)cc1F,DERAGULIXMTTGH-UHFFFAOYSA-N
-rxn:5:190741:225849:223062,CCOC(=O)c1cnc2c(-c3cnc(N4CCCCC4)cc3F)cc(C)cc2c1-c1cnc(C2CCNCC2)cc1F,VSHWBGCXGGPZDX-UHFFFAOYSA-N
-rxn:5:190742:223006:225636,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(F)c(C4CCNCC4)c3)c2c1-c1ccnc(N2CCC(C)CC2)c1,FXIHWWJNDOBCGH-UHFFFAOYSA-N
-rxn:5:190742:223056:225784,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(N4CCC(O)CC4)nc3)c2c1-c1ccc(CN2CCOCC2)nc1,RRWRVCVNGKGJOF-UHFFFAOYSA-N
-rxn:5:190742:223058:225632,CCOC(=O)c1cnc2c(C)ccc(-c3cc(F)nc(C4CCCNC4)c3)c2c1-c1cccc(N2CCN(C)CC2)c1,GAWUVFGDELWQLN-UHFFFAOYSA-N
-rxn:5:190742:223061:225588,CCOC(=O)c1cnc2c(C)ccc(-c3cc(C4CCNCC4)ncc3F)c2c1-c1ccccc1CN1CCSCC1,KUOZPGINPNGPIP-UHFFFAOYSA-N
-rxn:5:190742:223061:225632,CCOC(=O)c1cnc2c(C)ccc(-c3cc(C4CCNCC4)ncc3F)c2c1-c1cccc(N2CCN(C)CC2)c1,HNJSYJYPHQIQIX-UHFFFAOYSA-N
-rxn:5:190742:223061:225833,CCOC(=O)c1cnc2c(C)ccc(-c3cc(C4CCNCC4)ncc3F)c2c1-c1ccnc(N2CCCCC2)c1F,YAKYALAELQFTHQ-UHFFFAOYSA-N
-rxn:5:190742:223062:225435,CCOC(=O)c1cnc2c(C)ccc(-c3cnc(C4CCNCC4)cc3F)c2c1-c1ccccc1CN1CCCCC1,INHUSEIURYZQMW-UHFFFAOYSA-N
-rxn:5:190742:223062:225588,CCOC(=O)c1cnc2c(C)ccc(-c3cnc(C4CCNCC4)cc3F)c2c1-c1ccccc1CN1CCSCC1,NLPBIEPELLDYCD-UHFFFAOYSA-N
-rxn:5:190742:223062:225833,CCOC(=O)c1cnc2c(C)ccc(-c3cnc(C4CCNCC4)cc3F)c2c1-c1ccnc(N2CCCCC2)c1F,BUWYDBVMTFEYLL-UHFFFAOYSA-N
-rxn:5:190742:223063:225439,CCOC(=O)c1cnc2c(C)ccc(-c3cc(F)nc(C4CCNCC4)c3)c2c1-c1cccc(C(C)N2CCCC2)c1,SJLDIEPLYOCVJV-UHFFFAOYSA-N
-rxn:5:190742:223063:225465,CCOC(=O)c1cnc2c(C)ccc(-c3cc(F)nc(C4CCNCC4)c3)c2c1-c1cccc(C2CCN(C)CC2)c1,FZOPAZORKLHMCP-UHFFFAOYSA-N
-rxn:5:190742:223063:225588,CCOC(=O)c1cnc2c(C)ccc(-c3cc(F)nc(C4CCNCC4)c3)c2c1-c1ccccc1CN1CCSCC1,UKEDSUDRLQKWEN-UHFFFAOYSA-N
-rxn:5:190742:223064:225588,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(C4CCNCC4)nc3F)c2c1-c1ccccc1CN1CCSCC1,BIQDMVZMTBAWRF-UHFFFAOYSA-N
-rxn:5:190742:223064:225849,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(C4CCNCC4)nc3F)c2c1-c1cnc(N2CCCCC2)cc1F,AVYJXVIZXVYBGO-UHFFFAOYSA-N
-rxn:5:190742:225465:223063,CCOC(=O)c1cnc2c(C)ccc(-c3cccc(C4CCN(C)CC4)c3)c2c1-c1cc(F)nc(C2CCNCC2)c1,BANSMAMBYHPFBN-UHFFFAOYSA-N
-rxn:5:190742:225636:223006,CCOC(=O)c1cnc2c(C)ccc(-c3ccnc(N4CCC(C)CC4)c3)c2c1-c1ccc(F)c(C2CCNCC2)c1,DNHYUUXYKKFYKG-UHFFFAOYSA-N
-rxn:5:190742:225636:225594,CCOC(=O)c1cnc2c(C)ccc(-c3ccnc(N4CCC(C)CC4)c3)c2c1-c1ccc(F)cc1CN1CCCC1,OFXFMLQOHSNIFO-UHFFFAOYSA-N
-rxn:5:190742:225640:225666,CCOC(=O)c1cnc2c(C)ccc(-c3ccnc(N4CCCCC4C)c3)c2c1-c1cc(F)cc(N2CCCCC2)c1,VXUSNVBDKQOTFJ-UHFFFAOYSA-N
-rxn:5:190742:225641:225666,CCOC(=O)c1cnc2c(C)ccc(-c3ccnc(N4CCCC(C)C4)c3)c2c1-c1cc(F)cc(N2CCCCC2)c1,KLTWNMFMBRBJCH-UHFFFAOYSA-N
-rxn:5:190742:225666:225641,CCOC(=O)c1cnc2c(C)ccc(-c3cc(F)cc(N4CCCCC4)c3)c2c1-c1ccnc(N2CCCC(C)C2)c1,SFJBYEDVNWZXHQ-UHFFFAOYSA-N
-rxn:5:190742:225674:225454,CCOC(=O)c1cnc2c(C)ccc(-c3cnc(C4CCCCC4)cc3F)c2c1-c1ccc(C2=CCN(C)CC2)cc1,ASJDMWLGRMNMMG-UHFFFAOYSA-N
-rxn:5:190742:225674:225641,CCOC(=O)c1cnc2c(C)ccc(-c3cnc(C4CCCCC4)cc3F)c2c1-c1ccnc(N2CCCC(C)C2)c1,MMSMKRWRVQBFDT-UHFFFAOYSA-N
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-rxn:5:190742:225784:225976,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(CN4CCOCC4)nc3)c2c1-c1ccnc(N2CCOCC2)c1F,OXSIOJWDQRSAGN-UHFFFAOYSA-N
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-rxn:5:190744:225980:225674,CCOC(=O)c1cnc2c(-c3cc(N4CCOCC4)ncc3F)c(C)ccc2c1-c1cnc(C2CCCCC2)cc1F,YJZMTVGHCPDSJU-UHFFFAOYSA-N
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-rxn:5:190859:223112:223061,CC(C)c1ccc2[nH]ncc2c1-c1ccc2c(c1-c1cc(C3CCNCC3)ncc1F)CCN2C(=O)OC(C)(C)C,LPHMVMRGLJXBFG-UHFFFAOYSA-N
-rxn:5:190859:223112:223062,CC(C)c1ccc2[nH]ncc2c1-c1ccc2c(c1-c1cnc(C3CCNCC3)cc1F)CCN2C(=O)OC(C)(C)C,OQSZFIBCORPUCI-UHFFFAOYSA-N
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-rxn:5:190859:226920:227052,Cc1ccc(C(C)(C)C)cc1-c1ccc2c(c1-c1ccc(SC(C)(C)C)cc1)CCN2C(=O)OC(C)(C)C,IQAIMSMNMOWJBI-UHFFFAOYSA-N
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-rxn:5:190998:227376:226366,COC(=O)c1cc(-c2ccnc(N3CCCCC3)c2)ccc1N1Cc2cc(-c3cncc(N4CCCC4)c3)ccc2OCC1=O,PLYGWGAORVHACU-UHFFFAOYSA-N
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-rxn:5:191026:227076:226058,CCC(C)c1ccc(F)c(-c2ccc3c(c2)N(c2ccc(C)c(-c4c(C(C)C)cccc4C(C)C)c2)C=C(C(=O)OC)S3(=O)=O)c1,YIFZSYUZMPTWBU-UHFFFAOYSA-N
-rxn:5:191026:228189:226910,CCSc1ccc(F)c(-c2ccc3c(c2)N(c2ccc(C)c(-c4ccc(C(C)(C)CC)cc4)c2)C=C(C(=O)OC)S3(=O)=O)c1,ICYVSSULQPDMPU-UHFFFAOYSA-N
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-rxn:5:193226:225978:225655,CC1CCN(c2cncc(-c3cc(C(=O)N4CCOCC4)ccc3-c3ccc(N4CCOCC4)nc3F)c2)CC1,HSNNLYVYQSKPFT-UHFFFAOYSA-N
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-rxn:5:193229:225833:223065,O=C(c1cccc(-c2ccnc(N3CCCCC3)c2F)c1-c1ccc(N2CCNCC2)cc1F)N1CCOCC1,SJXKKOLDBBKADR-UHFFFAOYSA-N
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-rxn:5:193335:223137:226686,Cc1cnn(C2CCCCO2)c1-c1cccc(-c2cncc(C3CCCNC3)c2)c1CN1CCOCC1,XFXBVSYCBIMFDS-UHFFFAOYSA-N
-rxn:5:193335:223148:226686,Cc1cnn(C2CCCCO2)c1-c1cccc(-c2ccccc2C2CNCCO2)c1CN1CCOCC1,PEXYBDOYRUNIFQ-UHFFFAOYSA-N
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-rxn:5:193506:223142:222420,NS(=O)(=O)c1ccccc1-c1cc(-c2ccc(C3CCCNC3)nc2)ccc1S(=O)(=O)N1CCC(=O)CC1,SQBOOQJJAJFRNI-UHFFFAOYSA-N
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-rxn:5:193506:223149:225639,CCOc1cc2cn[nH]c2cc1-c1ccc(S(=O)(=O)N2CCC(=O)CC2)c(-c2cccnc2N2CCC(C)CC2)c1,WMOQRPZMHZWZFW-UHFFFAOYSA-N
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-rxn:5:193681:223062:228100,CCCn1nc(C)c(-c2ccc(-c3cnc(C4CCNCC4)cc3F)cc2OC2CCN(C)CC2)c1C,CEHRWMOAVDTSER-UHFFFAOYSA-N
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-rxn:5:193751:222986:227026,Cc1cc(-c2ccc(-c3ccc(C#N)c(C4CC4)c3)cc2C(=O)N2CCCC(C)C2)cc(C2CCCNC2)n1,YACSFDMVLLRQAZ-UHFFFAOYSA-N
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-rxn:5:193755:225439:227047,CC1CCCN(C(=O)c2cccc(-c3cccc(C(C)N4CCCC4)c3)c2-c2cccc(SC3CCC3)c2)C1,BTDFJLJJPORDIG-UHFFFAOYSA-N
-rxn:5:193756:225600:226842,CC1CCCCN1C(=O)c1ccc(-c2cccnc2OC2CCCCC2)cc1-c1cncc(C(=O)C(F)(F)F)c1,HEUKKQSVQCLGNY-UHFFFAOYSA-N
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-rxn:5:193756:225818:225671,CC1CCCCN1C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2C2CC2)cc1-c1cc(C2CCCCC2)ncc1F,ZRTBCSWDXBTKHB-UHFFFAOYSA-N
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-rxn:5:193756:226438:226747,CCc1ncc(-c2cc(-c3cnc(C4CCCC4)cc3F)ccc2C(=O)N2CCCCC2C)cc1C(F)(F)F,ODRHFAOFOQWELM-UHFFFAOYSA-N
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-rxn:5:193756:226849:226849,COc1nccc(-c2ccc(C(=O)N3CCCCC3C)c(-c3ccnc(OC)c3C(F)(F)F)c2)c1C(F)(F)F,LYGWUDAQJXNOBO-UHFFFAOYSA-N
-rxn:5:193756:227045:223189,CC1CCCCN1C(=O)c1ccc(-c2cccc(SC(C)(C)C)c2)cc1-c1ccc(NS(C)(=O)=O)cc1F,BIFKJPHOYFDQEU-UHFFFAOYSA-N
-rxn:5:193756:227408:226324,CC1CCCCN1C(=O)c1ccc(-c2cc(C3CCC3)ncc2F)cc1-c1cccnc1OC1CCCC1,SOMGWWWOTKUSCD-UHFFFAOYSA-N
-rxn:5:193808:223146:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(-c2cccc(C3CNCCO3)c2)cc1CN1CCC(C)CC1,XKSGBSVTSJEPMB-UHFFFAOYSA-N
-rxn:5:193808:226686:227452,Cc1cnn(C2CCCCO2)c1-c1ccc(-c2cccc(C3OCCO3)c2)c(CN2CCC(C)CC2)c1,JGJSFDDUMNBKFG-UHFFFAOYSA-N
-rxn:5:193809:225453:227562,COc1ccc(F)c(-c2cc(-c3cccc(SC4CCCCC4)c3)ccc2CN2CCC(C)CC2)c1OC,NIDMTKRUIAOFPX-UHFFFAOYSA-N
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-rxn:5:193866:225886:226581,CN(C)C(=O)c1cccc(-c2cc(C3(N4CCC(=O)CC4)CC3)ccc2-c2ccc3c(ccn3S(C)(=O)=O)c2)c1F,RVUFZRNWNRQBOL-UHFFFAOYSA-N
-rxn:5:193866:226322:227052,Cc1cc(C(=O)N(C)C)ccc1-c1ccc(C2(N3CCC(=O)CC3)CC2)cc1-c1ccc(SC(C)(C)C)cc1,CKBVUXJZWJNYEK-UHFFFAOYSA-N
-rxn:5:193866:226395:227490,CC(C)(C)Oc1ncc(-c2cc(C3(N4CCC(=O)CC4)CC3)ccc2-c2cncc(N3CCCCC3)c2)cn1,DUNUSOUODMMACE-UHFFFAOYSA-N
-rxn:5:193866:227561:225453,COc1cc(F)c(-c2ccc(C3(N4CCC(=O)CC4)CC3)cc2-c2cccc(SC3CCCCC3)c2)cc1OC,CJOPUNNLMVBYGO-UHFFFAOYSA-N
-rxn:5:193867:225451:228621,CSc1cc(C)ccc1-c1cc(-c2ccc(SC3CCCCC3)cc2)cc(C2(N3CCC(=O)CC3)CC2)c1,IERVIYQMIYFKAJ-UHFFFAOYSA-N
-rxn:5:193869:223147:223146,Cc1cc(-c2ccc(C3CNCCO3)cc2)c(S(=O)(=O)N2CCCCC2)cc1-c1cccc(C2CNCCO2)c1,XHOICEOPIRAIKN-UHFFFAOYSA-N
-rxn:5:193869:227045:226589,Cc1cc(-c2cccc(SC(C)(C)C)c2)c(S(=O)(=O)N2CCCCC2)cc1-c1cc(C(F)F)ncc1C(C)C,IYELFEPWGWLSEO-UHFFFAOYSA-N
-rxn:5:193870:225928:228865,CCOc1cnc(-c2cc(-c3ccc(C)c(S(=O)(=O)N(C)C)c3)c(C)cc2S(=O)(=O)N2CCCCC2)cn1,QGHHZGNFEBAHSV-UHFFFAOYSA-N
-rxn:5:193870:227824:225874,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2ccc(F)c(N3CCOCC3)c2)cc1-c1ccc(C2CCC2)cc1,NJGMZCWZLXPGBF-UHFFFAOYSA-N
-rxn:5:193872:222984:223087,O=C(c1ccc(-c2ccc(CN3CCC(O)C3)cc2)c(-c2cc(C(F)(F)F)cc3[nH]ncc23)c1)N1CCC2(CC1)CC2,CXMMJJVAIOKATP-UHFFFAOYSA-N
-rxn:5:193872:226068:225886,Cc1cc(C(C)(C)C)cc(C)c1-c1ccc(C(=O)N2CCC3(CC2)CC3)cc1-c1ccc2c(ccn2S(C)(=O)=O)c1,KRQSMZLLQIOPTE-UHFFFAOYSA-N
-rxn:5:193872:226450:225886,CC1(c2cccc(-c3ccc(C(=O)N4CCC5(CC4)CC5)cc3-c3ccc4c(ccn4S(C)(=O)=O)c3)c2)OCCO1,NFPORNHWQMTXKZ-UHFFFAOYSA-N
-rxn:5:193872:226966:227045,CC(C)(C)Sc1cccc(-c2cc(C(=O)N3CCC4(CC3)CC4)ccc2-c2ccc3c(c2)C(=O)CCC3)c1,IRZUGHDIXYGHGS-UHFFFAOYSA-N
-rxn:5:193932:228396:226323,COc1cc(F)c(-c2cc(C(=O)N3CC(C)CC(C)C3)ccc2-c2ccc(OC3CCCC3)nc2)c(F)c1,IKRPUNRQVROXEL-UHFFFAOYSA-N
-rxn:5:193968:225879:228253,CP(C)(=O)c1ccc(-c2ccc(-c3ccc(N4CCOCC4)cc3F)cc2CN2CCC3(CC2)OCCO3)cc1,YKCBBPDOYDESAX-UHFFFAOYSA-N
-rxn:5:193972:226172:228908,COc1cc(-c2cc(S(=O)(=O)N3CCCCCC3)c(-c3cc(N4CCCC4)ccc3C)cc2C)c(F)cn1,VYDCIRCSABVQDB-UHFFFAOYSA-N
-rxn:5:193972:226349:228811,CSc1ccc(F)c(-c2cc(S(=O)(=O)N3CCCCCC3)c(-c3cc(F)cc(OC(C)(C)C)c3)cc2C)c1,YFAQTEXIMPQMEB-UHFFFAOYSA-N
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-rxn:5:193972:227724:228253,Cc1cc(-c2cc(OC(F)F)ccc2F)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc(P(C)(C)=O)cc1,GADBCQNQAOWFRI-UHFFFAOYSA-N
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-rxn:5:193972:228388:227065,Cc1cc(-c2cc(C(F)F)ncc2C)c(S(=O)(=O)N2CCCCCC2)cc1-c1cccc(C(=O)C(C)C)c1,SZMANZHKXWPDOT-UHFFFAOYSA-N
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-rxn:5:193972:228437:227654,Cc1cc(-c2ccc(C(F)F)cc2F)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc(C2OCCO2)nc1,YSROYAYDXCXOLW-UHFFFAOYSA-N
-rxn:5:193972:228918:226059,Cc1cc(-c2cnccc2C(F)F)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc(C(C)C)cc1C(C)C,ZNLSFIHYKVTVNF-UHFFFAOYSA-N
-rxn:5:194561:225464:227413,CC1CCCN(c2cccc(-c3ccc(-c4cnc(C5CCC5)cc4F)c(C(=O)N4C5CCC4COC5)c3)c2)C1,JCXNGRBPHMNVPD-UHFFFAOYSA-N
-rxn:5:194561:226872:222958,Cc1ccc(-c2ccc(-c3cc(F)ccc3OC(F)(F)F)cc2C(=O)N2C3CCC2COC3)cc1C1CCNCC1,VKZRNHKQHNDXMX-UHFFFAOYSA-N
-rxn:5:194575:225407:226155,CC(=O)c1cc(-c2cc3c(s2)CCN(S(=O)(=O)c2ccccc2-c2ccc(C4CCCCCC4)cc2)C3)cc(C2CC2)c1,OSJULDHMYQIQGL-UHFFFAOYSA-N
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-rxn:5:194767:222417:225976,CC(C)c1[nH]c(=O)ncc1-c1ccc(-c2ccnc(N3CCOCC3)c2F)c(C(=O)N2CCCC3(C2)OC(=O)c2ccccc23)c1,YAHAXBMIGKDWCW-UHFFFAOYSA-N
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-rxn:5:194782:229132:225683,Cc1nc(C2CCCOC2)ccc1-c1ccc(-c2ccc(F)c(F)c2)cc1C(=O)N1CCC2(CC1)CC(=O)c1ccccc1O2,JODIIYJDROLGAL-UHFFFAOYSA-N
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-rxn:5:196677:225607:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(-c2ccc(C(C)N3CCCCC3)s2)cc1N1CCCC1,TZQKLOAKMJKKLH-UHFFFAOYSA-N
-rxn:5:196791:225834:226644,O=C1COCCN1c1cccc(-c2cc(N3CCCCC3)ncc2F)c1-c1cncc(N2CCOCC2)c1,LJFXALSQGQIIRY-UHFFFAOYSA-N
-rxn:5:196791:226588:226583,O=C1COCCN1c1cccc(-c2cc(OC3CCC3)ncc2F)c1-c1ccc(CN2CCOCC2)s1,IZOURGWFKAJMNK-UHFFFAOYSA-N
-rxn:5:196858:222957:222959,Cc1cc(-c2cnc(C3CCOCC3)cc2-c2ccc(C3CCNCC3)c(C)c2)cc(C2CCCNC2)c1,PBPQEJGWXAKHEL-UHFFFAOYSA-N
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-rxn:5:196858:225633:222958,Cc1ccc(-c2cc(C3CCOCC3)ncc2-c2ccc(N3CCCCCC3)nc2)cc1C1CCNCC1,XLNFHYVECASIOY-UHFFFAOYSA-N
-rxn:5:196859:223137:225832,Cc1nn(C2CCCCO2)c(C)c1-c1nccc(C2CCOCC2)c1-c1cncc(C2CCCNC2)c1,ICGPEADHVXBEOZ-UHFFFAOYSA-N
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-rxn:5:196978:223146:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2cccc(C3CNCCO3)c2)ccc1N1CCCCC1,IUFNHCLXILFLLE-UHFFFAOYSA-N
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-rxn:5:197876:225453:227978,CC(C)c1ccc(F)c(-c2cc3c(cc2-c2cccc(SC4CCCCC4)c2)S(=O)(=O)N(C(C)(C)C)C3=O)c1,MZIXGEAHZCBAIC-UHFFFAOYSA-N
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-rxn:5:197876:226190:226059,CC(C)c1ccc(-c2cc3c(cc2-c2ccc(C4CCCC4)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c(C(C)C)c1,XCEICVIPRCNFGC-UHFFFAOYSA-N
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-rxn:5:197876:226762:228623,CSc1cc(-c2cc3c(cc2-c2sccc2C2CCC2)C(=O)N(C(C)(C)C)S3(=O)=O)cc(C(F)(F)F)c1,BHKAEFISEQLDBO-UHFFFAOYSA-N
-rxn:5:197876:226762:228629,CSc1cc(-c2cc3c(cc2-c2ccc(C4CCC4)s2)C(=O)N(C(C)(C)C)S3(=O)=O)cc(C(F)(F)F)c1,YDDIQPQLACYBPI-UHFFFAOYSA-N
-rxn:5:197876:226910:225453,CCC(C)(C)c1ccc(-c2cc3c(cc2-c2cccc(SC4CCCCC4)c2)C(=O)N(C(C)(C)C)S3(=O)=O)cc1,HHOLURCWOVTAES-UHFFFAOYSA-N
-rxn:5:197876:226912:227444,Cc1cc(CC(C)C)cc(-c2cc3c(cc2-c2cncc(C4CCCO4)c2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,DYGHZMJXDHOFDT-UHFFFAOYSA-N
-rxn:5:197876:227065:226424,CC1CCCN(c2csc(-c3cc4c(cc3-c3cccc(C(=O)C(C)C)c3)S(=O)(=O)N(C(C)(C)C)C4=O)c2)C1,ATTYKHDCTDDRLY-UHFFFAOYSA-N
-rxn:5:197876:227900:226069,CC(C#N)c1ccccc1-c1cc2c(cc1-c1cccc(C3CCCCC3)c1)C(=O)N(C(C)(C)C)S2(=O)=O,XUEBJVWTVUDCQA-UHFFFAOYSA-N
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-rxn:5:197876:227989:226159,CC#Cc1ccc(F)c(-c2cc3c(cc2-c2cccc(N4CCCCC4)c2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,OQFBFCAHIQUQKA-UHFFFAOYSA-N
-rxn:5:197876:228420:226064,CSc1c(F)cc(-c2cc3c(cc2-c2ccc(C4CCCCC4)cc2)C(=O)N(C(C)(C)C)S3(=O)=O)cc1F,OFEZXXAHRQZWJG-UHFFFAOYSA-N
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-rxn:5:227505:189908:222986,Cc1cc(-c2ncc(-c3ccc(/C=C/[N+](=O)[O-])cc3)cc2OCC2CCCCC2)cc(C2CCCNC2)n1,VLJDLLYZLFLJDQ-FYWRMAATSA-N
-rxn:5:227875:178295:227541,CCOc1cc(F)c(-c2ccc(-c3cccc4c3CCCO4)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc1F,XQWPOJAMTDICKY-UHFFFAOYSA-N
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-rxn:5:227942:178295:226917,CCc1ccc(-c2ccc(-c3cc(C)cc(C(C)(C)C)c3)cc2C2(C(=O)OC)CCC(=O)CC2)c(OC)c1,KVPVBAMYXUZFFL-UHFFFAOYSA-N
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-rxn:4:173338:223888,COC(=O)C(C(=O)OC)C(=O)c1ccc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CCC3)cc1,FCRAIXCOXUKYON-UHFFFAOYSA-N
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-rxn:4:173396:224360,CCCCCCOc1ccc(-c2ccc(C(=O)OC)n2C(=O)OC(C)(C)C)c(F)c1F,WLLZGJGUVNXMLP-UHFFFAOYSA-N
-rxn:4:173480:223640,CCOC12C(=O)c3cc(F)cc(-c4cc(OC(=O)c5ccccc5)c(OC)c(C(=O)OC)c4)c3C(=O)C1C2(C)C,FWJBIFRQMHMKRR-UHFFFAOYSA-N
-rxn:4:173550:224267,CC(C)(C)OC(=O)c1cc(-c2cccc(N3CCC4(CC3)OCCO4)c2)cc(-c2ccccc2OC(F)(F)F)c1,MLYWREAXCWNCTE-UHFFFAOYSA-N
-rxn:4:173572:224566,COC(=O)C1(c2ccc(-c3cc(COC(C)(C)C)cc(COC(C)(C)C)c3)cc2)CCCC1,DKXSQSWQQHQWRR-UHFFFAOYSA-N
-rxn:4:173593:224904,CC(C)(C)c1cc(C(=O)OCc2ccc(-c3ccc(C(=O)C4CCCCC4)cc3)cc2)cc(C(C)(C)C)c1,RVBVRILCOWHSAW-UHFFFAOYSA-N
-rxn:4:173596:225975,COc1ccc(OC)c(-c2c(C(C)C)cc(C(C)C)cc2C(C)C)c1-c1ccnc(N2CCOCC2)c1Cl,PVGJUCACMBOPEC-UHFFFAOYSA-N
-rxn:4:173641:223060,Cc1oc2cc(-c3cc(Cl)nc(C4CCNCC4)c3)c(OC(=O)C(C)C)cc2c1C(=O)OC(C)C,YWCUVQFSZMLBLU-UHFFFAOYSA-N
-rxn:4:173641:223078,CCNS(=O)(=O)c1ccc(-c2cc3oc(C)c(C(=O)OC(C)C)c3cc2OC(=O)C(C)C)c(C)c1,BYOAWFLEHPPTDA-UHFFFAOYSA-N
-rxn:4:173656:225212,CCOC(=O)C(C)Oc1ccc2c(c1)OC(=Cc1ccc(-c3cc(F)cc(N4CCN(C)CC4)c3)cc1)C2=O,QYPKXOUCFZCKQM-UHFFFAOYSA-N
-rxn:4:173802:224251,CC1CCCN(C(=O)c2ccc(-c3ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc3)c(F)c2)C1,OJGUVRMYXGMPHM-UHFFFAOYSA-N
-rxn:4:173802:225157,O=C(c1cccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)c1)N1CCSCC1,XVPILIFYXAZUSJ-UHFFFAOYSA-N
-rxn:4:173804:225424,CCCCCC(=O)c1ccc(-c2cc(C(F)(F)F)ccc2OCC(F)(F)C(F)(F)F)cc1,QZWRUTGOXQZQGI-UHFFFAOYSA-N
-rxn:4:173810:225911,COC(=O)c1cc(-c2ccc(C(F)(F)F)c(OC(C(F)(F)F)C(F)(F)F)c2)c(Cl)cc1OC,DWPOBLOEDBWRIO-UHFFFAOYSA-N
-rxn:4:173811:223884,CC(C)(C)OC(=O)N1CCc2cc(-c3ccc(OC(C(F)(F)F)C(F)(F)F)c(C(F)(F)F)c3)ccc2C1,FPLFXJSKNAAXCX-UHFFFAOYSA-N
-rxn:4:173858:223873,CCCOc1cc(OC(F)(F)F)cc(-c2ccccc2CCC(=O)N2CCC(C)CC2)c1,NSEBVPJWPRGUJA-UHFFFAOYSA-N
-rxn:4:173892:223651,COC(COc1cccc(-c2ccc(C3CCN(C(=O)OC(C)(C)C)C3)nc2C)c1)OC,YOQGZCSQCLAQHP-UHFFFAOYSA-N
-rxn:4:174016:224128,CN(C(=O)c1ccc(-c2cc(CS(C)(=O)=O)ccc2OCC(F)(F)F)cc1)C1CCCCC1,PDVFVXYIOGQEOR-UHFFFAOYSA-N
-rxn:4:174075:222697,O=C(CC(=O)c1ccc(F)c(-c2ccc(Cl)c(C(=O)N3CCC(O)CC3)c2)c1)CC1CC1,MGUWWDRHKGMZAP-UHFFFAOYSA-N
-rxn:4:174107:224126,CCN1CCN(C(C)c2cccc(-c3ccc(OC(F)(F)F)cc3OCC3CCC3)c2)CC1,FADINWQGALLZEX-UHFFFAOYSA-N
-rxn:4:174134:223866,COC(=O)C(Oc1ccccc1-c1ccccc1CN1C(C)(C)CCCC1(C)C)C(C)C,HMZLPPHGJXGVRA-UHFFFAOYSA-N
-rxn:4:174302:224720,CCOC(=O)C(C)(C)c1ccc(-c2cn(C(=O)OC(C)(C)C)nc2C2CC2)cc1OC,WHUAZMFAVCGZPD-UHFFFAOYSA-N
-rxn:4:174375:224351,COC(=O)C(C)(C)c1cc(OC)c(OC)cc1-c1ccc(C2CCCCO2)c(C(F)(F)F)c1,PNAGRRXXLMDZJS-UHFFFAOYSA-N
-rxn:4:174392:223697,COc1cc(OC)c(Sc2ccc(-c3ccc(S(=O)(=O)N4CCCCC4)cc3C(F)(F)F)cc2)c(OC)c1,KZLAEGUOHKXNSM-UHFFFAOYSA-N
-rxn:4:174406:224930,CCN(CC)Cc1cc(-c2ccc(C3(C(=O)OC)CC(OC)(OC)C3)cc2)ccc1OC,JWJNNCBDCYSCLO-UHFFFAOYSA-N
-rxn:4:174515:224720,CC(C)[Si](Oc1ccc(-c2cn(C(=O)OC(C)(C)C)nc2C2CC2)cc1)(C(C)C)C(C)C,YVINGLBEUHYWCI-UHFFFAOYSA-N
-rxn:4:174521:224421,CC(C)c1cc(C(C)C)c(-c2cc(C(=O)OC(C)(C)C)cc(-c3ccc(S(C)(=O)=O)cc3)c2)c(C(C)C)c1,NAKQJKNLSDPXFS-UHFFFAOYSA-N
-rxn:4:174522:224796,CC(C)[Si](C#Cc1ccc(-c2cncc(S(=O)(=O)OCC(C)(C)C)c2)cc1)(C(C)C)C(C)C,AJEDSWNMVKKXGT-UHFFFAOYSA-N
-rxn:4:174524:224676,COc1cc(C=Cc2cccc(-c3ccccc3C(=O)N3CCN(C)CC3)c2C)c(C(F)(F)F)cc1C1OCCO1,QJMWYXINKXVFDF-UHFFFAOYSA-N
-rxn:4:174526:222636,Cc1c(-c2ccc([C@@H](C)NC(=O)OC(C)(C)C)cc2)ccc(O[Si](C(C)C)(C(C)C)C(C)C)c1Cl,RATPXSCYYNZWIX-JOCHJYFZSA-N
-rxn:4:174539:223650,COC(=O)C12CC(COc3ccc(-c4ccccc4N4CCN(C(=O)OC(C)(C)C)CC4)cc3)(C1)C2,MCECLYBIBZTHOI-UHFFFAOYSA-N
-rxn:4:174543:224842,COC(=O)C12CC(COc3ccc(-c4ccc5c(c4)C(C)(C)CCC5(C)C)cc3Cl)(C1)C2,OGHALIRUQIOPQG-UHFFFAOYSA-N
-rxn:4:174593:224426,COC(=O)c1c(C)oc2cc(-c3cc(C4CCCCC4)cc(C4CC4)c3)c(OC(=O)C(C)(C)C)cc12,VSOAQIUJCAPPFT-UHFFFAOYSA-N
-rxn:4:174644:224248,COc1ccc(C=C2Oc3cc(OS(=O)(=O)c4ccc(-c5ccc(C(=O)N6CCC(C)CC6)c(Cl)c5)cc4)ccc3C2=O)cc1,WPALULVXVGTLEV-UHFFFAOYSA-N
-rxn:4:174656:224486,CC(C)N(C(=O)c1cccc(-c2cccc3cccc(C#C[Si](C(C)C)(C(C)C)C(C)C)c23)c1)C(C)C,WCVAXNMDDCUEIQ-UHFFFAOYSA-N
-rxn:4:174753:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3cc(OCC(F)(F)F)ccc3C(F)(F)F)cc2)CC1,RJQDFLMXIFUABK-IYARVYRRSA-N
-rxn:4:174813:223844,COC(=O)CC(=O)c1cc(F)ccc1-c1ccc(S(=O)(=O)N2CCCC2)cc1C(F)(F)F,UADJMHNIZKTVNV-UHFFFAOYSA-N
-rxn:4:175198:222582,CC(C)Oc1ccc(-c2cccc(C(=O)NCCN3CCOCC3)c2)cc1OC(F)(F)F,CTMORNHSLZNTJQ-UHFFFAOYSA-N
-rxn:4:175274:222513,COC(=O)c1cc(F)c(-c2cc(S(=O)(=O)NC3CCCCC3)ccc2OC)cc1C(=O)C1CC1,XCFMCWYNTSSGIH-UHFFFAOYSA-N
-rxn:4:175275:223530,COC(=O)c1ccc(C(=O)c2ccc(-c3cc(F)ccc3CN3CCN(C(=O)OC(C)(C)C)CC3)cc2)o1,BGJFCHRHYAIFAJ-UHFFFAOYSA-N
-rxn:4:175940:223835,C#Cc1cc(F)c(OCC2CCCCC2)c(-c2cc(S(=O)(=O)N3CCC(C)CC3)c(C)cc2F)c1,LLCPTHWMQKNIEZ-UHFFFAOYSA-N
-rxn:4:176044:222468,CC(C)OC(=O)c1cc(C2(C)OCCO2)ccc1-c1ccc2cc(NC(=O)OC(C)(C)C)ccc2c1,LWJRUIXTBUXJBM-UHFFFAOYSA-N
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-rxn:4:178588:224322,CC1CCN(S(=O)(=O)c2ccc(-c3ccc4c(c3)CCC(O[Si](C)(C)C(C)(C)C)C4)cc2)CC1,OHEYXAFBWOMIJT-UHFFFAOYSA-N
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-rxn:4:178597:227827,Cc1ccc(C2CC2)cc1-c1ccc(OC(=O)C2OC3OC(C)(C)OC3C3OC(C)(C)OC23)cc1,MRQPLPCYBHIIDM-UHFFFAOYSA-N
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-rxn:4:180396:222466,c1cc(C2CC2)c(-c2cc(C3CCCCC3)nc(C3CCNCC3)c2)cc1C1CCOC1,RLIOMTVTQPURRC-UHFFFAOYSA-N
-rxn:4:180456:223689,CCN1CCN(S(=O)(=O)c2cc(-c3cc(OC4CCCCC4)ccc3C)ccc2OC)CC1,NSWBYILANYYWBU-UHFFFAOYSA-N
-rxn:4:180487:223712,COc1ccc(-c2ccc(C3CC3)cc2C2CCOCC2)cc1C12CC3CC(CC(C3)C1)C2,GUIKWHBDQKIZMC-UHFFFAOYSA-N
-rxn:4:180503:222538,c1cc(C2CCCOC2)c(-c2cc(C3CCCC3)nc(C3CCNCC3)c2)cc1C1CC1,CQIQNOFCNIGPKY-UHFFFAOYSA-N
-rxn:4:180792:224022,CCOC1CCC2(CC1)Cc1ccc(-c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)cc1C2=O,DTAWJTBSPWUKQY-UHFFFAOYSA-N
-rxn:4:180792:224650,CCOC1CCC2(CC1)Cc1ccc(-c3cc(F)ccc3OCC3CCOCC3)cc1C2=O,HMMFCXGVULUDBX-UHFFFAOYSA-N
-rxn:4:180993:223521,CC(c1cccc(-c2c(C(F)F)ccc(Cl)c2F)c1)N1CCN(C(=O)OC(C)(C)C)CC1,CHLBYFBWSQHXAF-UHFFFAOYSA-N
-rxn:4:182359:224734,COC1CCC2(CC1)Oc1ccc(-c3ccc(C(F)(F)F)cc3OCC3CC3)cc1C2=O,BNHDRDHQPMASKQ-UHFFFAOYSA-N
-rxn:4:182372:224683,CO[C@H]1CC[C@]2(CC1)Cc1ccc(-c3cc(F)cc(C(=O)N4CCCCC4)c3)cc1C2=O,LTFPKYJSEIQWLG-JIBACQESSA-N
-rxn:4:183255:222582,O=C(NCCN1CCOCC1)c1cccc(-c2ccc3c(c2)S(=O)(=O)C2(CCC2)CC3=O)c1,RJSYMULIBGDGOM-UHFFFAOYSA-N
-rxn:4:183272:226450,CC1(c2cccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCO4)c2)OCCO1,ZWTIFRZWUYCFGN-UHFFFAOYSA-N
-rxn:4:183273:225830,Cc1nc(N2CCCCC2)ncc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,VIWHZGIQGMXMJT-UHFFFAOYSA-N
-rxn:4:183273:227613,c1cc2c(cc1-c1cnn(C3CCOCC3)c1)OCCOCCOCCOCCOCCOCCO2,KICITGREDLOVKK-UHFFFAOYSA-N
-rxn:4:183273:228402,COc1c(Cl)ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1F,FZRRJPKBNFQTJG-UHFFFAOYSA-N
-rxn:4:183273:228836,Cc1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c(Cl)cc1F,OZGCDNOOURFLAJ-UHFFFAOYSA-N
-rxn:4:183274:224574,Cc1cnn(-c2ccc(C3CC3)c(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCOCCO4)c2)c1,DRXGULGOPRCNCJ-UHFFFAOYSA-N
-rxn:4:183274:226137,CC(C)c1ncc(C2CC2)cc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCOCCO2,KFQCEXYSTZPRTM-UHFFFAOYSA-N
-rxn:4:183274:227828,Cc1c(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCOCCO3)cccc1C1CC1,NKHKEPIYQNZQPS-UHFFFAOYSA-N
-rxn:4:183274:229129,Cc1cc(Cl)c(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCOCCO3)cn1,YNSBKXGRYYSJJC-UHFFFAOYSA-N
-rxn:4:183379:223640,CCOC12C(=O)c3cc(F)cc(-c4cc5c(c6c4OC(C)(C)C=C6)OC(C)(C)OC5=O)c3C(=O)C1C2(C)C,FPKMVNFXAPTKNA-UHFFFAOYSA-N
-rxn:4:183462:222514,CCOC(=O)COc1c(C#N)cccc1-c1ccc(OC)c(S(=O)(=O)NC2CCCCC2)c1,DEMODPRESQDCDT-UHFFFAOYSA-N
-rxn:4:183575:223493,CCOC(=O)Cc1cc(-c2cc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)ccc2C)c(C#N)cc1OC,YMIYJGWUQHHXKQ-UHFFFAOYSA-N
-rxn:4:183579:224411,CCC(Oc1c(C#N)cccc1-c1ccc(S(=O)(=O)N(C)C)cc1C(F)(F)F)C(=O)OC,WEENBAYKLPSDRR-UHFFFAOYSA-N
-rxn:4:183655:223541,COC(=O)c1cc(OCCN(C)C)cc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC3(CC2)OCCO3)c1,WLKGXFVWEZEKIH-UHFFFAOYSA-N
-rxn:4:183668:224689,CC(C)(C)OC(=O)C(C#N)C(=O)c1ccc(-c2ccc(C(=O)N3CCCCC3)cc2Cl)cc1,XLFCYZNCHSAEFP-UHFFFAOYSA-N
-rxn:4:183694:223497,COC(=O)C1CN(Cc2cc(OC(F)(F)F)cc(-c3ccc(C(C)N4CCC(O[Si](C)(C)C(C)(C)C)CC4)cc3)c2)C1,YYJHOQMDTSOKIJ-UHFFFAOYSA-N
-rxn:4:183694:224120,COC(=O)C1CN(Cc2cc(OC(F)(F)F)cc(-c3ccc(CO[Si](C)(C)C(C)(C)C)c(C)c3)c2)C1,UVSJPUMWCGVNRA-UHFFFAOYSA-N
-rxn:4:183729:223168,O=C(COc1ccc(OC(F)(F)F)cc1-c1cccnc1N1CCNCC1)N1CCOCC1,UOPKTSIDZBOYBV-UHFFFAOYSA-N
-rxn:4:183729:223180,CONC(=O)c1ccc(-c2cc(OC(F)(F)F)ccc2OCC(=O)N2CCOCC2)cc1F,ZIHFPLXDBYETMW-UHFFFAOYSA-N
-rxn:4:183755:222570,O=C(NCc1ccc(F)cc1)c1ccc(-c2ccc(C(=O)ON3C(=O)CCC3=O)c(OCC3CC3)c2)cc1,FFFFHVNDXHAJAX-UHFFFAOYSA-N
-rxn:4:183763:223922,CN(C(=O)c1cc(-c2cc(F)ccc2N(OC(=O)OC(C)(C)C)C2CC2)ccc1Cl)C1CCCCC1,OCUSZQNKXSHYLM-UHFFFAOYSA-N
-rxn:4:183801:222504,Cc1cc(-c2ccc(F)c(C(=O)NCc3ccc(F)cc3)c2)cc(N(CC(F)(F)F)C(=O)OC(C)(C)C)c1,TVUUNDAIWWOQQZ-UHFFFAOYSA-N
-rxn:4:183808:224254,CC1CCCN(C(=O)c2cc(-c3ccc(OC(F)(F)F)cc3OCCN3CCC(F)(F)CC3)ccc2F)C1,XRBJZWHFDNFSOB-UHFFFAOYSA-N
-rxn:4:183808:225979,FC1(F)CCN(CCOc2cc(OC(F)(F)F)ccc2-c2cnc(N3CCOCC3)c(Cl)c2)CC1,MVPUXHPHCKLUEY-UHFFFAOYSA-N
-rxn:4:183826:224398,Cc1cc(F)c(-c2cccc(CN(C(=O)OC(C)(C)C)C3CC3)c2Cl)cc1S(=O)(=O)N1CCCC1,HXSPUWLZRCIMBH-UHFFFAOYSA-N
-rxn:4:183829:222639,C[C@H](NC(=O)OC(C)(C)C)c1ccc(-c2ccc(F)c(CN(C(=O)OC(C)(C)C)C3CC3)c2)cc1,HVTNZMAEDJJCHG-SFHVURJKSA-N
-rxn:4:183836:223638,CCN(C(=O)COc1ccc(-c2cccc(C3CCCN(C(=O)OC(C)(C)C)C3)c2)cc1)C1CCS(=O)(=O)C1,SKKOFDHXJDXMHK-UHFFFAOYSA-N
-rxn:4:183873:225766,CCCOc1c(F)cc(-c2cc(OCCN3CCCCC3)cc(C(=O)OC)c2)c(C)c1F,MNYCYHLUSBNPEM-UHFFFAOYSA-N
-rxn:4:183883:226551,CCOc1cc(-c2ccc(OCCC3CCN(CC(F)(F)F)CC3)cc2)cc(Cl)c1OC,NTFLOVUROFAUTJ-UHFFFAOYSA-N
-rxn:4:183898:223958,CCN1CCN(C(=O)c2ccc(-c3ccccc3OCCCN3CCC(OC)CC3)cc2F)CC1,OLKNDUDMEZHUSM-UHFFFAOYSA-N
-rxn:4:183913:223606,CC1CCCCN1CCOc1ccc(OC(F)(F)F)cc1-c1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)c(F)c1,AMQGXSMVGLEAQG-UHFFFAOYSA-N
-rxn:4:183923:222845,CC(c1ccc(-c2ccc(OCC(=O)N(c3ccccc3)C3C=CS(=O)(=O)C3)cc2)cc1)N1CCNCC1,KFXDYMPXJFHWMS-UHFFFAOYSA-N
-rxn:4:183928:222879,CC(c1ccc(-c2c(Cl)cccc2NC(=O)C(C)(C)C)cc1)N(C(=O)OC(C)(C)C)C1CC1,CEFNCIZJHHVOTK-UHFFFAOYSA-N
-rxn:4:183928:224620,CC(c1ccc(-c2ccc(CO[Si](C)(C)C(C)(C)C)nc2)cc1)N(C(=O)OC(C)(C)C)C1CC1,PKCWJDKLAIOUKK-UHFFFAOYSA-N
-rxn:4:183933:224842,Cc1c(CN(C(=O)OC(C)(C)C)C2CC2)cccc1-c1ccc2c(c1)C(C)(C)CCC2(C)C,BPKFQYRXOVJMOO-UHFFFAOYSA-N
-rxn:4:183942:227273,CCOc1c(OC)cccc1-c1ccc(OC)cc1C(=O)N1CC(S(=O)(=O)CC(C)C)C1,LHHBORTWVDWIIL-UHFFFAOYSA-N
-rxn:4:183970:227586,CCOC(=O)C1CCN(S(=O)(=O)c2cc(-c3c(Cl)ccc(OCC)c3F)ccc2OC)CC1,DYYLWONOCVCPAI-UHFFFAOYSA-N
-rxn:4:183985:224078,CC(C)[Si](Oc1ccc(-c2cccc3c2ccn3[Si](C)(C)C(C)(C)C)c(C#N)c1)(C(C)C)C(C)C,VUBBBPMGHRLRSS-UHFFFAOYSA-N
-rxn:4:183985:225901,Cc1nn(C(=O)OC(C)(C)C)cc1-c1ccc(O[Si](C(C)C)(C(C)C)C(C)C)cc1C#N,LWTVYDKJWGZCJY-UHFFFAOYSA-N
-rxn:4:184027:228232,CC(C)(C)OC(=O)N1CCC(COc2ccc(-c3cnc(Cl)c(C4CC4)c3)cc2F)CC1,GXJQIPAYGRFXOF-UHFFFAOYSA-N
-rxn:4:184046:223999,COc1cccc(C(=O)N(Cc2cccc(-c3cc(S(=O)(=O)N4CCC(C)CC4)ccc3F)c2)C2CCS(=O)(=O)C2)c1,SRYCWNZTFUEEHC-UHFFFAOYSA-N
-rxn:4:184046:224146,COc1cccc(C(=O)N(Cc2cccc(-c3c(C)cc(O[Si](C)(C)C(C)(C)C)cc3C)c2)C2CCS(=O)(=O)C2)c1,HSLPJWAZICBCJH-UHFFFAOYSA-N
-rxn:4:184049:226764,COC(=O)c1c(F)ccc(-c2ccc(OC)cc2C(=O)N2CCC(S(=O)(=O)Cc3ccco3)CC2)c1F,WFEWIPXAFTVZPZ-UHFFFAOYSA-N
-rxn:4:184054:228448,CC(C)CS(=O)(=O)C1CCN(C(=O)Cc2ccc(-c3ccc(C(F)F)cc3Cl)cc2)CC1,HWIMYBCCXCDMMF-UHFFFAOYSA-N
-rxn:4:184063:224077,Cc1cc(-c2cn([Si](C)(C)C(C)(C)C)c3ccccc23)ccc1CN(C(=O)OC(C)(C)C)C1CCCC1,HTGGNBNLTFBYQV-UHFFFAOYSA-N
-rxn:4:184071:227110,Cc1cc(Cl)c(-c2cccc(S(=O)(=O)CC3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1C1CC1,NILNZPXJZJEGCO-UHFFFAOYSA-N
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-rxn:4:184090:225504,CCCCn1cnc2cc(-c3cc(C(=O)OC)cc(C4CCN(C(=O)OC(C)(C)C)CC4C)c3)ccc21,XKKYRYITCCRLQM-UHFFFAOYSA-N
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-rxn:4:185357:223644,CCOC(=O)C1CCCN(C(=O)c2ccc(-c3ccc(C(=O)C4CCN(C(=O)OC(C)(C)C)CC4)c(F)c3)cc2)C1,OGRRSIWFYRWQCE-UHFFFAOYSA-N
-rxn:4:185371:224683,CC(C)(C)OC(=O)N1CCC(Cc2ccc(-c3cc(F)cc(C(=O)N4CCCCC4)c3)cc2)CC1,PBBSKUMKLACVTC-UHFFFAOYSA-N
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-rxn:4:185385:225906,CON(C)C(=O)c1cc(F)cc(-c2cc(C3CCN(C(=O)OC(C)(C)C)CC3)ccc2C(F)(F)F)c1,HBASTISBVVZKCH-UHFFFAOYSA-N
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-rxn:4:185406:226278,COc1cc(-c2ccc(OCC(C)C)nc2C)cc(C2CCN(C(=O)OC(C)(C)C)CC2)c1,OZHZEVOAVHCCSE-UHFFFAOYSA-N
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-rxn:4:185422:224320,Cc1ccc(S(=O)(=O)N2CCCCC2)cc1-c1ccc(C2CN(C(=O)OC(C)(C)C)CCO2)c(C2CC2)c1,JXPJZLRLGYWNHK-UHFFFAOYSA-N
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-rxn:4:185496:224168,CCN(C(=O)OC(C)(C)C)c1cccc(-c2ccc3c(c2)c(C(=O)OC)cn3C(=O)OC(C)(C)C)c1,MGGFBKVBKDDCSM-UHFFFAOYSA-N
-rxn:4:185516:224416,Cc1cccc2c1N(CCCOc1ccc(-c3cnc(C(F)(F)C(F)(F)C(F)(F)F)nc3)cc1)C(=O)C2=O,ONEFZWHQHGXGJK-UHFFFAOYSA-N
-rxn:4:185530:224421,COC(=O)CC1COc2ccccc2N1S(=O)(=O)c1ccc(-c2c(C(C)C)cc(C(C)C)cc2C(C)C)cc1,ZHBSZEYWPLJFPN-UHFFFAOYSA-N
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-rxn:4:185598:224392,Cc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1cccc(CN(C(=O)c2oc3ccc(Cl)cc3c2C)C2CCS(=O)(=O)C2)c1,YTZNBLWBSNVJTE-UHFFFAOYSA-N
-rxn:4:185601:225830,Cc1nc(N2CCCCC2)ncc1-c1ccc2c(C)c(C(=O)N(Cc3ccccc3F)C3CCS(=O)(=O)C3)oc2c1,MOBFZQRAMAAJFN-UHFFFAOYSA-N
-rxn:4:185614:222951,COc1ccc(CCC(=O)N2CCCC3(C2)OC(=O)c2ccccc23)cc1-c1cnc(NC(C)=O)cc1C(F)(F)F,HRELVWUOLUOQSQ-UHFFFAOYSA-N
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-rxn:4:185648:226188,Cc1cc([Si](C)(C)C)c(C)cc1-c1ccc(S(=O)(=O)N(C(=O)C2CCCCC2)c2ccc3oc4c(c3c2)CCCC4)cc1,UOQQETYKGGAXHR-UHFFFAOYSA-N
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-rxn:4:186198:223814,N#CC(C(=O)C1CC1)c1ccc(-c2ccc(CN3CCC4(CC3)OCCO4)cc2F)cc1,IHJDNAVUGHKCOP-UHFFFAOYSA-N
-rxn:4:186339:223559,COC(=O)c1cc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)cnc1OC(C)C,OSPORPCONCFLDT-UHFFFAOYSA-N
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-rxn:4:186582:223839,COC(=O)c1cc(-c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2OC)ccc1CN(C)C,LAYXNFBMSCBRBF-UHFFFAOYSA-N
-rxn:4:186730:223901,Cc1cc(-c2ccc(OCCN3CCC(C)CC3)c(Cl)c2)ccc1OCC(=O)N1CC(F)(F)C1,TWDBDBFOPRKTJO-UHFFFAOYSA-N
-rxn:4:186736:224587,COC(=O)c1ccc(-c2ccc(CN3CCC(C)CC3)c(F)c2)c(CN2CC(F)(F)C2)c1,BREANXSXDREKSE-UHFFFAOYSA-N
-rxn:4:186858:222545,CC(C)Oc1cc(C(=O)N(C)C)ccc1-c1ccc(C(C)(C)NC(=O)OC(C)(C)C)cc1,VOZPZDIYBLGWGV-UHFFFAOYSA-N
-rxn:4:186892:222465,O=C(CS(=O)(=O)c1ccccc1-c1cc(C2CCCCC2)nc(C2CCCNC2)c1)N1CCCC1,FQOUVSOASNECIU-UHFFFAOYSA-N
-rxn:4:186919:225101,CCN(CC)C(=O)c1cc(-c2ccccc2S(=O)(=O)CC(=O)N2CCC(F)(F)C2)ccc1Cl,UFOFMELEXMVUHD-UHFFFAOYSA-N
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-rxn:4:187064:223832,CCOc1cc(S(=O)(=O)N2CCCC2)ccc1-c1cc(S(=O)(=O)N2CCC(C)CC2)ccc1OC,ZUOIJLDDSNDQSB-UHFFFAOYSA-N
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-rxn:4:187120:223891,COC(=O)C1CCCCN1C(=O)c1cccc(-c2c(F)ccc3c2ccn3[Si](C)(C)C(C)(C)C)c1,JWYMEGNCPGWYGN-UHFFFAOYSA-N
-rxn:4:187123:224715,CCCCOc1cc(C(F)(F)F)ccc1-c1ccc(S(=O)(=O)N2CCOCC2)c(OCC)c1,NDLHWKVJHFSNNI-UHFFFAOYSA-N
-rxn:4:187124:224878,CCOc1ccc(-c2ccccc2COC2CCCCC2)cc1S(=O)(=O)N1CCOCC1,QDFKFEMJYCLSRL-UHFFFAOYSA-N
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-rxn:4:187230:222959,COC(=O)C1CCN(S(=O)(=O)c2ccccc2-c2ccc(C3CCNCC3)c(C)c2)CC1,PPGYVWRYARWTCF-UHFFFAOYSA-N
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-rxn:4:187373:222614,COc1cc(S(=O)(=O)N2CCCCC2)c(OC)cc1-c1ccc(S(=O)(=O)NC2CC2)cc1C(F)(F)F,IXJYPDKBEOOOIM-UHFFFAOYSA-N
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-rxn:4:187543:225198,COc1cc(-c2c(F)cccc2OC2CCCCO2)cc(OC)c1CN1CCCC(C)C1,QSOKHWURPJGHGB-UHFFFAOYSA-N
-rxn:4:187546:223938,CCN(C(=O)c1cc(-c2cc3cc(Cl)ccc3n2C(=O)OC(C)(C)C)ccc1C)C1CCCCC1,SVODVGQBJMEVSJ-UHFFFAOYSA-N
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-rxn:4:187672:223692,CC(C)(C)c1cc(CN2CCCC(C(F)(F)F)C2)cc(-c2cc(OCc3cccnc3)c(Cl)cc2C(F)(F)F)c1,FKBYGOWGKPCWTO-UHFFFAOYSA-N
-rxn:4:187689:224680,O=C(c1ccc(CN2CCC3(CC2)OCCO3)cc1)c1ccc(-c2cc(C(=O)N3CCCCC3)ccc2F)cc1F,AWMCOQYNCVBJRV-UHFFFAOYSA-N
-rxn:4:187756:223645,CCOC(=O)c1cnc2ccc(OC)cc2c1-c1cccc(C(=O)N2CCCC(C(=O)OCC)C2)c1,JSOAAPMHRLFMJF-UHFFFAOYSA-N
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-rxn:4:187849:224039,CC(C)CCOc1ccc2ccccc2c1-c1cc(C(F)(F)F)cc2c1CCN2C(=O)OC(C)(C)C,UQVWQUCCKHZFRE-UHFFFAOYSA-N
-rxn:4:187858:223923,Cc1cccc(OCCN2C(=O)C(=O)c3cc(-c4ccc(F)c(C(=O)N(C)C5CCCCC5)c4)ccc32)c1,TZNHXWJQTNDPIQ-UHFFFAOYSA-N
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-rxn:4:187974:225200,O=C1OC2(CCCN(C(=O)CCc3ccccc3-c3ccc(F)c(OC4CCCC4)c3F)C2)c2ccccc21,NCAVFEUDDHLJFU-UHFFFAOYSA-N
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-rxn:4:188021:225859,CSc1ccc(C2c3c(oc4ccc(-c5cnc(N6CCCCC6)c(Cl)c5)cc4c3=O)C(=O)N2CC2CCCO2)cc1,ZUZMDZBSSHBMTH-UHFFFAOYSA-N
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-rxn:4:189090:222514,COc1ccc(-c2cc([N+](=O)[O-])ccc2OC2CCC2)cc1S(=O)(=O)NC1CCCCC1,YPIAZXFYYVCRDI-UHFFFAOYSA-N
-rxn:4:189215:224718,O=C(ON1C(=O)CCC1=O)c1cc(F)cc(-c2ccc(OCCN3CCOCC3)nc2)c1,JPEMIPHUTHQSSG-UHFFFAOYSA-N
-rxn:4:189357:224008,COC(=O)c1cc(S(N)(=O)=O)c(-c2cc(C(=O)N3CCOCC3)cc([N+](=O)[O-])c2)cc1C,IITOTTJCEBDUBP-UHFFFAOYSA-N
-rxn:4:189552:222584,COC(=O)c1cnc(C2CCOC2)cc1-c1ccc(OCCCN2CCNCC2)c(F)c1,GSZGXNJTNPFPLX-UHFFFAOYSA-N
-rxn:4:189833:223972,CC1CCCCN1c1ccc(-c2ccc(CC(=O)N3CCOCC3)c(F)c2)c(C(F)(F)F)c1,JVUKKHCKYGXJDE-UHFFFAOYSA-N
-rxn:4:189837:224804,CC(C)Oc1ccc(-c2coc(CN3CCC(C(F)(F)F)CC3)c2)cc1OC(F)(F)F,XHEULMGIBIKXHV-UHFFFAOYSA-N
-rxn:4:189868:224064,CC1CCCCN1c1cc(-c2ccc(C(=O)N3CCOCC3)cc2C(F)(F)F)cc(C2CC2)c1,GCQZFMZULOHIJF-UHFFFAOYSA-N
-rxn:4:189905:223540,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1cncc(OCC2CCCCC2)c1,OBTIIUUORCSEIB-UHFFFAOYSA-N
-rxn:4:189973:223992,Cc1ccc(-c2cc(C(F)(F)F)cc(S(=O)(=O)N3CCOCC3)c2)cc1S(=O)(=O)N1CCN(C)CC1,QRUALAIARMEGFJ-UHFFFAOYSA-N
-rxn:4:190053:224132,CN(C(=O)c1ccccc1-c1cccc(C(F)(F)F)c1C(=O)N1CCCCC1)C1CCCCC1,DXPDCELZIQWJHV-UHFFFAOYSA-N
-rxn:4:190109:224485,COC(=O)c1ccc(N2CCCCC2)c(-c2ccn([Si](C(C)C)(C(C)C)C(C)C)c2)c1,BTYHBPUZUQCKFP-UHFFFAOYSA-N
-rxn:4:190116:224326,CCc1cc(-c2ccc(S(=O)(=O)N3CCCCC3)c(C)c2)ccc1S(=O)(=O)N1CCCC1,RTWZWAYWBYVYTE-UHFFFAOYSA-N
-rxn:4:190136:224129,CN(C(=O)c1cccc(-c2ccc(C3CCN(CC(F)(F)F)CC3)cc2)c1)C1CCCCC1,MNVYMHJSQYSQJM-UHFFFAOYSA-N
-rxn:4:190155:225162,COc1ccc(-c2ccc(C(=O)N3CCCC3)c(Cl)c2)cc1S(=O)(=O)N1CCC(=O)CC1,XOHXPIXZKQBSJB-UHFFFAOYSA-N
-rxn:4:190228:224608,COC(=O)c1cc(OCC2CC2)cc(-c2ccc(C3CCCN3S(=O)(=O)C3CC3)cc2)c1,ZITKLKIRBPWQDV-UHFFFAOYSA-N
-rxn:4:190230:225336,CC1CCN(c2cc(OC(F)(F)F)cc(-c3ccc(COCC(F)(F)F)cc3F)c2)CC1,WVKVIQMIFKGOEK-UHFFFAOYSA-N
-rxn:4:190236:224487,CCC(=O)C1CCCN(c2cccc(-c3cccc(OCCN4CCCCC4)c3)c2F)C1=O,WTMOITRKLLLDDQ-UHFFFAOYSA-N
-rxn:4:190266:222730,CCCc1cc(-c2ccc(F)cc2CC(=O)N2CCCC(C)C2)cc(C2CCNCC2)n1,DWSVBMNOLBJAJA-UHFFFAOYSA-N
-rxn:4:190357:223973,CC1CCCN(c2ccc(-c3ccc(C(=O)N4CCC5(CC4)CC5)cc3C(F)(F)F)c(C(F)(F)F)c2)C1,OVGFIOICOJOYPK-UHFFFAOYSA-N
-rxn:4:190374:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(OC)c(S(=O)(=O)N2CCCCC2C)c1,XYFHRWVINHEWSA-UHFFFAOYSA-N
-rxn:4:190470:223939,CC(C)(C)OC(=O)N1CCOc2ccc(-c3cc(CN4CCCCC4)cc(C(C)(C)C)c3)cc21,ZPAVENJKVNDAOO-UHFFFAOYSA-N
-rxn:4:190497:222719,CC1CCCN(Cc2cc(-c3cc(C4CCCNC4)nc(C(F)(F)F)c3)cc(C(C)(C)C)c2)C1,PNNBYRCXBSHXFA-UHFFFAOYSA-N
-rxn:4:190499:223733,Cc1cc(C)c(S(=O)(=O)N(C)C2CCCCC2)c(C)c1-c1cccc(OCc2ccc(C(C)(C)C)cc2)c1,YLTKSSYQCQVRJW-UHFFFAOYSA-N
-rxn:4:190858:224188,COC(=O)c1cc(-c2ccc(C(=O)N(C(C)C)C(C)C)cc2Cl)cc2c1CCN2C(C)C,MOYLVCRSOGGUOQ-UHFFFAOYSA-N
-rxn:4:190870:222940,CC(C)(C)NS(=O)(=O)c1cncc(-c2ccc3c(c2)OCC(=O)N3C(=O)OC(C)(C)C)c1,CALYCTMZDSCHNT-UHFFFAOYSA-N
-rxn:4:190894:223536,COC(=O)c1cc(-c2cc(F)c(F)c(N3CCN(C(=O)OC(C)(C)C)CC3)c2)cc2c1c(C)cn2C(C)C,BMNILSPGQOLJHV-UHFFFAOYSA-N
-rxn:4:190926:223499,CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(-c3ccc4c(c3)N(C(=O)OC(C)(C)C)CCC4=O)ccc2Cl)CC1,KKXUVBHIXQSDCY-UHFFFAOYSA-N
-rxn:4:190927:222912,CC(C)CNS(=O)(=O)c1ccc(-c2ccc3c(c2)CCN(C(=O)OC(C)(C)C)C3=O)cc1,QKVQIHOGWALNCF-UHFFFAOYSA-N
-rxn:4:190934:224609,CC(C)N(C(=O)c1ccncc1-c1ccc2c(c1)C(=O)N(C(=O)OC(C)(C)C)CC2)C(C)C,AFDKTRPYJJUVGJ-UHFFFAOYSA-N
-rxn:4:190956:222647,Cc1cc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CCC3)c(C)cc1NC(=O)OC(C)(C)C,PYOPHEHCRXBECR-UHFFFAOYSA-N
-rxn:4:190958:224420,Cc1cc2c(cc1-c1cccc3c1N(C(=O)OC(C)(C)C)CCC3)C(C)(C)CCC2(C)C,RDMFEEZKYVKLSU-UHFFFAOYSA-N
-rxn:4:190966:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2ccc3c(c2F)CCN(C(=O)OC(C)(C)C)C3)cc1,UZQIGOFEJCDVAP-UHFFFAOYSA-N
-rxn:4:190989:224351,COC(=O)c1cc2c(c(-c3ccc(C4CCCCO4)c(C(F)(F)F)c3)c1)N(C(C)C)CCCO2,PJNICWIXZAIFGC-UHFFFAOYSA-N
-rxn:4:191007:224485,CC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2ccc3c(c2)COC32CN(C(=O)OC(C)(C)C)C2)c1,UWLSSZKDLSSZAL-UHFFFAOYSA-N
-rxn:4:191008:224967,COC(=O)c1cc(-c2ccc3c(c2)C(=O)N(C(=O)OC(C)(C)C)C3(C)C)cc(C(C)(C)C)c1,CUSUJHFHNQNYBU-UHFFFAOYSA-N
-rxn:4:191033:223523,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc4c(c3)CN(C(=O)OC(C)(C)C)CCC4)c3ccccc23)CC1,WPZYPCQFNGXNSZ-UHFFFAOYSA-N
-rxn:4:191062:223140,CS(=O)(=O)C1CC2CCC(C1)N2S(=O)(=O)c1ccccc1-c1ccnc(C2CCCNC2)c1,UQTZUBYYBRSTHJ-UHFFFAOYSA-N
-rxn:4:191062:223146,CS(=O)(=O)C1CC2CCC(C1)N2S(=O)(=O)c1ccccc1-c1cccc(C2CNCCO2)c1,QAQHURSWHFTWNQ-UHFFFAOYSA-N
-rxn:4:191062:226925,Cc1cc(C2CC2)cc(-c2ccccc2S(=O)(=O)N2C3CCC2CC(S(C)(=O)=O)C3)c1C,OHYBYAMWBGZJBY-UHFFFAOYSA-N
-rxn:4:191062:227103,CS(=O)(=O)C1CC2CCC(C1)N2S(=O)(=O)c1ccccc1-c1sccc1C1CCCCC1,LBAIQPOUACDVAJ-UHFFFAOYSA-N
-rxn:4:191071:226529,CCOC(=O)c1ccc(Cl)c(-c2ccc3c(c2)CN(CCC2=CCCCC2)C(=O)CO3)c1,DMHKGHAZTBYMIE-UHFFFAOYSA-N
-rxn:4:191089:223881,Cc1ccc2cc(-c3ccc4c(c3)CN(C(=O)OC(C)(C)C)CC4(C)C)n(C(=O)OC(C)(C)C)c2c1,SJSLGDBTUKEION-UHFFFAOYSA-N
-rxn:4:191099:223931,CC(C)(C)OC(=O)N1CCC2(CC1)Oc1ccc(-c3cc4ccc(Cl)cc4n3C(=O)OC(C)(C)C)cc1C2=O,YXRVOGWMGBTLAU-UHFFFAOYSA-N
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-rxn:4:206532:224414,O=[N+]([O-])c1cc(F)c(-c2ccc(C(F)(F)C(F)(F)C(F)(F)F)nc2)cc1N1CCOCC1,CQEZQJIRPJFNRP-UHFFFAOYSA-N
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-rxn:4:207779:222630,O=S(=O)(c1ccc(-c2cc(C3CCC3)nc(C3CCNCC3)c2)cc1)N1CCN2CCC1CC2,DVWHCXMBSNAJJP-UHFFFAOYSA-N
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-rxn:4:207946:225294,CCN1CCN(c2ncc(-c3cc(OC)c4c(c3)C3CC(c5ccc(Cl)cc5)=NN3C3(CCCC3)O4)cn2)CC1,XGHFNMYHGUNCAH-UHFFFAOYSA-N
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-rxn:4:212546:223079,CC(C)NS(=O)(=O)c1cccc(-c2cnn(C)c2CN(C(=O)OC(C)(C)C)C2CC2)c1,UOQJMRYUFBWODD-UHFFFAOYSA-N
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-rxn:4:212600:224821,O=C(COc1ccccc1)N1CCCC(Oc2ncc(-c3ccc(F)c(S(=O)(=O)N4CCCC4)c3)cn2)C1,OWCLNWUQQUVPHC-UHFFFAOYSA-N
-rxn:4:212601:222520,Cn1ccnc1S(=O)(=O)C1CN(C(=O)CCc2ccccc2-c2ccc(C(F)(F)F)c(NC(=O)OC(C)(C)C)c2)C1,QTYDGDNIQLRAAK-UHFFFAOYSA-N
-rxn:4:212631:225222,CC1CCCCN1c1cc(-c2cncc(C(=O)N3CCC(COc4ncccc4C(F)(F)F)CC3)c2)c(F)cn1,QWOIARVACUNQMT-UHFFFAOYSA-N
-rxn:4:212631:225801,O=C(c1cncc(-c2ccnc(OC3CCCC3)c2Cl)c1)N1CCC(COc2ncccc2C(F)(F)F)CC1,SEQJWZDGHPCANC-UHFFFAOYSA-N
-rxn:4:212641:227457,COCCN1C(=O)CN(C2CCN(C(=O)c3ccc(-c4cc(C)cn5c(C)nnc45)o3)CC2)C1=O,SMXCXKORZUNVBZ-UHFFFAOYSA-N
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-rxn:4:212720:227812,CC(C)Cc1cccc(-c2ccc(C(=O)N(C)C3CCCN(C(=O)OC(C)(C)C)CC3)cn2)c1,ISYYLGDHYCGIDV-UHFFFAOYSA-N
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-rxn:4:212729:225640,COc1ccc(-c2noc(C3CCCN(S(=O)(=O)c4ccc(-c5ccnc(N6CCCCC6C)c5)cc4)C3)n2)cc1OC,KZVORNYUCQULBW-UHFFFAOYSA-N
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-rxn:4:212770:223527,CCOC(=O)c1nn2c(c1-c1ccc(F)cc1CN1CCN(C(=O)OC(C)(C)C)CC1)CN(C(=O)OC(C)(C)C)CC2,YOIGKPHMBRPCCC-UHFFFAOYSA-N
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-rxn:4:212843:223139,CN1CCN(c2ccc(-c3ccc(C4CCNCC4)nc3)c3c2C[C@H](N(Cc2ccccc2)Cc2ccccc2)CC3)CC1,XOCUPDABJCCVBR-UUWRZZSWSA-N
-rxn:4:212843:223805,CN1CCN(c2ccc(-c3ccccc3OCc3ccc(C(F)(F)F)cc3)c3c2C[C@H](N(Cc2ccccc2)Cc2ccccc2)CC3)CC1,UHKVWKFVGPUSNI-PSXMRANNSA-N
-rxn:4:212845:224769,CC(=O)N1CCc2c(sc3nc(SCc4cccc(-c5ccc(N6CCCC6)cc5C(F)(F)F)c4)n(Cc4ccco4)c(=O)c23)C1,RQIIAFWSRFBANG-UHFFFAOYSA-N
-rxn:4:212917:222820,COC(=O)CN1CCC(Cn2cc(-c3ccc(S(=O)(=O)NC(C)(C)C)c(F)c3)cn2)CC1,PJBJAHJTQXQFSH-UHFFFAOYSA-N
-rxn:4:212934:224394,Cc1ccc(-c2ccc(Cl)c(C(=O)N3CCN=C3SCc3cccnc3)c2)cc1S(=O)(=O)N1CCOCC1,WQQHVWYDLBSPHJ-UHFFFAOYSA-N
-rxn:4:212943:225379,CCOC(=O)N1CCN(c2ncc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2C(F)(F)F)CC1,DLVQRHJGBWSDEL-UHFFFAOYSA-N
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-rxn:4:212988:225984,CC(C)(C)OC(=O)N1CCN(C(=O)c2csc(-c3cnc(Cl)c(N4CCOCC4)c3)n2)CC1,WWBLFJNFHNPYGF-UHFFFAOYSA-N
-rxn:4:213013:225172,CCC(C)C(=O)N1CCC(Oc2ncc(-c3cc(CN4CCOCC4)ccc3F)cn2)CC1,HDZREVATKIAVBJ-UHFFFAOYSA-N
-rxn:4:213017:223753,COc1ccc(-c2ccc(C)c(OCCCN3CCN(C)CC3)c2)c(C(=O)N2CC(Cn3cc(C)cn3)C2)c1,QDBNYJWWNNRADR-UHFFFAOYSA-N
-rxn:4:213038:226520,COc1ccc(-c2c[nH]c(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)c(OC)c1OC,UGVOEFJFFFAGJJ-UHFFFAOYSA-N
-rxn:4:213045:225877,O=C(C1CCC1)N1CCCC(COc2ncc(-c3ccc(Cl)cc3N3CCOCC3)cn2)C1,PQJCXXPDRGANLL-UHFFFAOYSA-N
-rxn:4:213062:225341,CCOc1ccc(OC(F)(F)F)c(-c2cnc(OC3CCN(C(=O)Cc4ccc(F)cc4F)CC3)nc2)c1,IXAVISWEBYPBPD-UHFFFAOYSA-N
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-rxn:4:213088:223166,CC(C)(C)OC(=O)N1CCN(c2cccc(-c3ccc(N4CCNCC4)nc3)c2C#N)CC1,BWMONPNJIINCHS-UHFFFAOYSA-N
-rxn:4:213088:225975,CC(C)(C)OC(=O)N1CCN(c2cccc(-c3ccnc(N4CCOCC4)c3Cl)c2C#N)CC1,FPCWZSPMFRKLOT-UHFFFAOYSA-N
-rxn:4:213094:228091,CCN(CC)c1ccc(-c2cccc(C#N)c2N2CCN(C(=O)OC(C)(C)C)CC2)s1,UZCGBRXSZBCZBQ-UHFFFAOYSA-N
-rxn:4:213104:226006,O=C(CN1C(=O)CCC1=O)N1CCC(Oc2ncccc2-c2cc(F)cc(OCC(F)(F)F)c2)CC1,JCRCRJWLWTVBFJ-UHFFFAOYSA-N
-rxn:4:213123:223176,CS(=O)(=O)NCc1cccc(-c2ccccc2CC(=O)N2CCN(c3ccnc(C(F)(F)F)c3)C(=O)C2)c1,QKTNIWKAALWHBW-UHFFFAOYSA-N
-rxn:4:213123:226658,O=C(Cc1ccccc1-c1ccc(N2CCCC2)nc1F)N1CCN(c2ccnc(C(F)(F)F)c2)C(=O)C1,HADHSPUGMHFHOH-UHFFFAOYSA-N
-rxn:4:213132:223945,CC(C)(C)C(=O)N1CCCC(COc2ncc(-c3ccc(OCCCN4CCOCC4)c(F)c3)cn2)C1,KBNSKJPSPVDTQU-UHFFFAOYSA-N
-rxn:4:213132:224759,CC(C)(C)C(=O)N1CCCC(COc2ncc(-c3cc(F)cc(C(=O)N4CCOCC4)c3)cn2)C1,LPWPZWDQPXOIIL-UHFFFAOYSA-N
-rxn:4:213134:225770,CCC(C)(C)C(=O)N1CCC(Oc2ncc(-c3c(F)cc(OCC4CC4)cc3F)cn2)CC1,FBQCOWXCIOFXJC-UHFFFAOYSA-N
-rxn:4:213139:225305,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(C4CCC4)c(C(F)(F)F)c3)cc2[N+](=O)[O-])CC1,YWLCCIAXGZEDKQ-UHFFFAOYSA-N
-rxn:4:213141:228091,CCN(CC)c1ccc(-c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)ccc2[N+](=O)[O-])s1,YXMOBODRLRIHKQ-UHFFFAOYSA-N
-rxn:4:213144:226251,CCCCOc1cc(-c2cc([N+](=O)[O-])ccc2N2CCN(C(=O)OC(C)(C)C)CC2)ccc1Cl,QSPSIYPQEQYMFD-UHFFFAOYSA-N
-rxn:4:213163:224011,CN1CCN(S(=O)(=O)c2ccc(-c3cnc(OCC4CCN(C(=O)C5CCCC5)CC4)nc3)cc2F)CC1,GLCKOGHOVQTCFO-UHFFFAOYSA-N
-rxn:4:213195:222584,O=C(C1CCOCC1)N1CCC(COc2ncc(-c3ccc(OCCCN4CCNCC4)c(F)c3)cn2)CC1,RJTSPZHOMFEYAW-UHFFFAOYSA-N
-rxn:4:213224:224963,CC(C)(C)OC(=O)N1CCC[C@H]1c1nc(-c2cccc(-c3cccc(COC4CCOCC4)c3)c2)c[nH]1,SJYUNSLIHBXMDB-MHZLTWQESA-N
-rxn:4:213237:226665,CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1c1ncc(-c2ccc(-c3cnc(C4CCCOC4)nc3)cc2)[nH]1,TVEBTXINDKJOIU-BPARTEKVSA-N
-rxn:4:213257:222779,Cc1nn(CC2CCN(C(=O)OC(C)(C)C)CC2)c(C)c1-c1ccncc1CNC(=O)OC(C)(C)C,MFHVLACLDSZYCE-UHFFFAOYSA-N
-rxn:4:213257:225110,Cc1nn(CC2CCN(C(=O)OC(C)(C)C)CC2)c(C)c1-c1ccc(OC(=O)OC(C)(C)C)cc1,CXCGZBMNROBNBJ-UHFFFAOYSA-N
-rxn:4:213269:225268,CCCOc1cc(-c2ccc(OC)cc2C(=O)N2CCC(n3nc(C4CC4)ccc3=O)CC2)cc(C(F)(F)F)c1,BDUNHLBKLWWFMI-UHFFFAOYSA-N
-rxn:4:213278:224710,CCCCOc1cc(-c2ccc(S(=O)(=O)N3CCCC(c4nc(-c5cccc(OC)c5)no4)C3)cc2)cc(C(F)(F)F)c1,NVWBPOLBZOMVPM-UHFFFAOYSA-N
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-rxn:4:213286:225202,CCC(C)N1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(-c3cc(C4CCC4)cc(C(F)(F)F)c3)cc2)SC1=S,UQVLFQOVIMWGBO-UHFFFAOYSA-N
-rxn:4:213286:225342,CCC(C)N1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(-c3cc(C(=O)N(C)C)cc([N+](=O)[O-])c3)cc2)SC1=S,QFUCHJJWFQIMOQ-UHFFFAOYSA-N
-rxn:4:213320:223092,COC(=O)c1nc(-c2cccc(NS(=O)(=O)N(C)C)c2)n2c1CN(C(=O)OC(C)(C)C)CC2,NYZBDFVJRKHXPK-UHFFFAOYSA-N
-rxn:4:213320:226567,COC(=O)C(=O)c1ccc(-c2nc(C(=O)OC)c3n2CCN(C(=O)OC(C)(C)C)C3)cc1,PBMHYQGWAYTLJV-UHFFFAOYSA-N
-rxn:4:213320:226912,COC(=O)c1nc(-c2cc(C)cc(CC(C)C)c2)n2c1CN(C(=O)OC(C)(C)C)CC2,VYDYNTWQFHVRJA-UHFFFAOYSA-N
-rxn:4:213336:224157,COC(=O)c1nc(-c2cn(C(=O)OC(C)(C)C)c3ccccc23)n2c1CCN(C(=O)OC(C)(C)C)CC2,QWSSASXQGUXRDN-UHFFFAOYSA-N
-rxn:4:213337:225172,CCCCC(=O)N1CCN(c2nc3ccc(-c4cc(CN5CCOCC5)ccc4F)cc3s2)CC1,LZFYHZUJQCKBLR-UHFFFAOYSA-N
-rxn:4:213380:224710,CCCCOc1cc(-c2ccc(-n3c(SCC(=O)N4CCCCC4)nc4c(c3=O)SCC4)cc2)cc(C(F)(F)F)c1,IGJJTMSERKOQEX-UHFFFAOYSA-N
-rxn:4:213381:224292,CCN1CCN(c2nc3ccc(OC(=O)c4ccc(-c5ccc(S(=O)(=O)OCC(C)(C)C)c(C)c5)cc4)cc3s2)CC1,WXXKXGRKCXEIJG-UHFFFAOYSA-N
-rxn:4:213390:224292,CCC(=O)N1CCCC1c1nc2ccccc2n1Cc1ccc(-c2ccc(S(=O)(=O)OCC(C)(C)C)c(C)c2)cc1,CDDMZWSCQJJZPW-UHFFFAOYSA-N
-rxn:4:213444:224976,N#Cc1c(-c2ccc(CC(=O)N3CCC(Cn4nc5c(cc4=O)CCCC5)CC3)cc2)cccc1N1CCCCC1,PDFBKRLXWUZSGW-UHFFFAOYSA-N
-rxn:4:213453:225175,CC(C)C1N=C2c3ccccc3N=C(SCC(=O)c3ccc(-c4ccc(F)c(CN5CCOCC5)c4)cc3)N2C1=O,MOFOIKFUMIBTKO-UHFFFAOYSA-N
-rxn:4:213469:228904,COc1ccnc(Cl)c1-c1ccc([C@@H]2[C@@H](C(=O)C(C)(C)C)N3c4ccccc4C=C[C@@H]3C2(C#N)C#N)c(F)c1,WBRAPPOHGUOMBJ-IEUSDUHPSA-N
-rxn:4:213476:223909,N#CC1(C#N)[C@H](c2cccc(-c3ccc(C(=O)OCc4ccccc4)c(F)c3)c2)[C@@H](C(=O)C23CC4CC(CC(C4)C2)C3)N2c3ccccc3C=C[C@@H]21,CXQZLXZOKDMZIH-LSLIMBODSA-N
-rxn:4:213488:223503,COC(=O)CCc1nc(-c2c(F)cc(OC3CCN(C(=O)OC(C)(C)C)CC3)cc2F)n[nH]1,FGOAFMDZLKLYFM-UHFFFAOYSA-N
-rxn:4:213572:224377,COc1ncc(-c2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)c(C=CN(C)C)c1[N+](=O)[O-],HYAXPAGRPBFBSY-UHFFFAOYSA-N
-rxn:4:213604:222748,CCS(=O)(=O)N1CCC(Oc2ncc(-c3cccc(C(=O)NCC4CCCO4)c3)cn2)C1,GQTQJLWTONQBFY-UHFFFAOYSA-N
-rxn:4:213685:223712,COc1ccc(-c2cnn(CC3CN(CC4CCOC4)C3)c2)cc1C12CC3CC(CC(C3)C1)C2,JIBIDTJWDDDGCO-UHFFFAOYSA-N
-rxn:4:213693:226661,CC(C(=O)N1CCCC(C(F)(F)F)C1)n1cc(-c2cc(N3CCN(C)CC3)cs2)cn1,LFDPWHWZUGYKIC-UHFFFAOYSA-N
-rxn:4:213693:226662,CC(C(=O)N1CCCC(C(F)(F)F)C1)n1cc(-c2ccc(N3CCN(C)CC3)s2)cn1,DWIJXBXSNXLCRP-UHFFFAOYSA-N
-rxn:4:213737:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3ccc(S(=O)(=O)N4CCC(Oc5ccncn5)C4)cc3)c2)CC1,PIHBPQXRRIKOKH-UHFFFAOYSA-N
-rxn:4:213754:222902,CCN1CCN(Cc2cc([N+](=O)[O-])ccc2-c2cccc(C(=O)NCC(=O)OC)c2)CC1,BHPVFMOXFZFZNB-UHFFFAOYSA-N
-rxn:4:213798:225984,CC(C)(C)OC(=O)N1CCOC(c2cnc(-c3cnc(Cl)c(N4CCOCC4)c3)cn2)C1,YCAGAPZBUUDAAW-UHFFFAOYSA-N
-rxn:4:213799:225984,CC(C)(C)OC(=O)N1CCOC(c2cc(-c3cnc(Cl)c(N4CCOCC4)c3)ncn2)C1,HEOUQJVCVYWRFA-UHFFFAOYSA-N
-rxn:4:213803:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2cnc(C3COCCN3C(=O)OC(C)(C)C)nc2)cc1,AAZCRONCFMSUOB-UHFFFAOYSA-N
-rxn:4:213803:226583,CC(C)(C)OC(=O)N1CCOCC1c1ncc(-c2ccc(CN3CCOCC3)s2)cn1,SLDQGEOXJBMSFW-UHFFFAOYSA-N
-rxn:4:213840:222654,CC(C)(C)OC(=O)N1CCCC(n2ccnc2-c2ccc(Cl)c(C(=O)NC3CCCCC3)c2)C1,BWUYCCHIASAZHP-UHFFFAOYSA-N
-rxn:4:213863:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1ccc(S(=O)(=O)N2CCCC(Oc3ncccn3)C2)cc1,ZIOJTSUERGULNA-UHFFFAOYSA-N
-rxn:4:213866:222619,O=C(NCc1ccc(-c2cnc(OC3CCN(Cc4cc(F)cc(F)c4)CC3)nc2)cc1)C1CCCCC1,OYWNKBDOUCBYPE-UHFFFAOYSA-N
-rxn:4:213871:222622,CCC(C)c1cc(-c2cnc(OC3CCCN(S(=O)(=O)c4ccc(F)c(F)c4)C3)nc2)cc(C2CCCNC2)n1,UIKVOCACTPYUMY-UHFFFAOYSA-N
-rxn:4:213875:225975,CC(C)(C)OC(=O)N1CCN(c2cccc(-c3ccnc(N4CCOCC4)c3Cl)n2)CC1,QOTGWSPOARZCNT-UHFFFAOYSA-N
-rxn:4:213875:225977,CC(C)(C)OC(=O)N1CCN(c2cccc(-c3cc(Cl)cnc3N3CCOCC3)n2)CC1,LUXRDGIYLHYHFF-UHFFFAOYSA-N
-rxn:4:213956:222542,Cc1ccc(-c2cnc(OC3CCN(C(C)c4ccccc4)CC3)nc2)cc1OCCCN1CCNCC1,XFNPBHVGCXWFFI-UHFFFAOYSA-N
-rxn:4:213963:223787,Cc1cnc(OC2CCN(Cc3ccc(F)c(-c4ccc(OCCCN5CCN(C)CC5)c(F)c4)c3)CC2)nc1,CUVPPZKWFFKBCU-UHFFFAOYSA-N
-rxn:4:213972:229167,CN(C)c1nc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)c(C(F)(F)F)c2)cs1,UVHSBOXKDFLELE-UHFFFAOYSA-N
-rxn:4:213983:224379,CC1CN(C(=O)OC(C)(C)C)CCC1c1cnc(-c2ccccc2S(=O)(=O)N2CCN(C)CC2)cn1,SKBOKJUISQGXDE-UHFFFAOYSA-N
-rxn:4:213988:226663,CC(C)(C)OC(=O)N1CCCN(c2ccc(-c3ccc(N4CCSCC4)nc3)cn2)CC1,DQMOAEJJVSPEML-UHFFFAOYSA-N
-rxn:4:213993:224930,CCN(CC)Cc1cc(-c2cnc(N3CCN(C)CC3)c(C(=O)OC(C)(C)C)c2)ccc1OC,DDFUUAIROHVBNM-UHFFFAOYSA-N
-rxn:4:214005:223794,O=C(c1cccc(-c2ccc(OCc3ccccc3)c(C(F)(F)F)c2)c1)N1CCN(C(=O)N2CCOCC2)CC1,NQPYNMIYABMYEJ-UHFFFAOYSA-N
-rxn:4:214011:224868,Cc1nn(S(=O)(=O)c2ccc(-c3cccc(OCC4CCCCC4)c3)cc2)c(C)c1S(=O)(=O)N1CCCC1,CRAWXDRAYRKWGG-UHFFFAOYSA-N
-rxn:4:214024:224738,O=C(C1CCC(F)(F)CC1)N1CCC(Oc2ncc(-c3cc(OCC4CC4)cc(C(F)(F)F)c3)cn2)CC1,DARXIYFYGHQJTP-UHFFFAOYSA-N
-rxn:4:214026:224761,O=C(C1CCCN(c2ncc(C(F)(F)F)cc2-c2cccc(S(=O)(=O)N3CCCCC3)c2)C1)N1CCOCC1,WPRGFUXGZBHVQX-UHFFFAOYSA-N
-rxn:4:214027:224437,CN(Cc1ccc(-c2cnc(N3CCCC(C(=O)N4CCOCC4)C3)c(C(F)(F)F)c2)cc1)c1ccccc1,NJRVNXWAOREJLB-UHFFFAOYSA-N
-rxn:4:214033:227205,CC(C)[C@H]1COC(c2cc(-c3cccc4c3OCCCO4)cc(C3=N[C@@H](C(C)C)CO3)n2)=N1,KMCHXZSBCDPFRW-FGZHOGPDSA-N
-rxn:4:214033:227961,Cc1nc(C2CC2)ccc1-c1cc(C2=N[C@@H](C(C)C)CO2)nc(C2=N[C@@H](C(C)C)CO2)c1,LKILIBQAQMYDBQ-DNQXCXABSA-N
-rxn:4:214035:222584,O=C(c1ccc(-c2ccc(OCCCN3CCNCC3)c(F)c2)cc1)N1CCC(n2nc(C3CC3)ccc2=O)CC1,MWLAHUNAYQCXQF-UHFFFAOYSA-N
-rxn:4:214042:223651,Cc1nc(C2CCN(C(=O)OC(C)(C)C)C2)ccc1-c1ccc(C(=O)N2CCC(N3CC(=O)N(c4ccccc4)C3=O)CC2)o1,VXMXTKCURPVSEV-UHFFFAOYSA-N
-rxn:4:214065:226256,CCCCOc1cc(F)ccc1-c1ccc(C(=O)n2nc(C)c(S(=O)(=O)N3CCC(C)CC3)c2C)cc1,YZEPLABKMNOCTF-UHFFFAOYSA-N
-rxn:4:214070:224330,O=C1CCN(C(=O)c2cc(-c3ccccc3C(=O)N3CCC(N4CC(=O)N(c5ccccc5)C4=O)CC3)ccc2Cl)CC1,BBZCPRIIUSXUOZ-UHFFFAOYSA-N
-rxn:4:214072:224077,CC(C)(C)[Si](C)(C)n1cc(-c2cccc(N3C(=O)CC(N4CCN(Cc5ccccc5)CC4)C3=O)c2)c2ccccc21,VZXSEXJGUQGIHM-UHFFFAOYSA-N
-rxn:4:214086:226183,CC(C)N1CCN(Cc2ccc(-c3cnccc3C3CCCCC3)cc2N2CCCCC2)CC1,VDSBWIQPDJVEKB-UHFFFAOYSA-N
-rxn:4:214108:222605,CCOC(=O)c1nc2c([N+](=O)[O-])c(C)ccn2c1-c1cc(S(=O)(=O)NC2CCCC2)ccc1OC,KETRKMQAPDYZKR-UHFFFAOYSA-N
-rxn:4:214231:225882,CC(C)(C)OC(=O)N1CCOC(c2cn3c(-c4cnc(Cl)c(C5CCOCC5)c4)cccc3n2)C1,CTOSNXNVDHICTN-UHFFFAOYSA-N
-rxn:4:214231:225883,CC(C)(C)OC(=O)N1CCOC(c2cn3c(-c4cnc(C5CCOCC5)c(Cl)c4)cccc3n2)C1,BBPNAVICFDYOQR-UHFFFAOYSA-N
-rxn:4:214246:224182,Cc1cc(-c2ccc3c(c2)sc(=NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)n3C)ccc1OCCN1CCOCC1,VYCXCGDAIMHJGH-UHFFFAOYSA-N
-rxn:4:214277:224718,CC(C)(C)OC(=O)N1CCC(n2ncc3cc(F)c(-c4ccc(OCCN5CCOCC5)nc4)cc32)CC1,LLJKHQOCCYIPGR-UHFFFAOYSA-N
-rxn:4:214323:224986,N#Cc1cc(N2CCCCC2)ccc1-c1ccc2ccn(CC(=O)N3CCN(C4CCS(=O)(=O)C4)CC3)c2c1,WITOCQLGINYZSG-UHFFFAOYSA-N
-rxn:4:214338:225912,CCCOc1c(F)cc(F)c(-c2cccc3c2n(C)c(=O)n3C2CCC(=O)N(Cc3ccc(OC)cc3)C2=O)c1F,VRRQVMGXICNEGD-UHFFFAOYSA-N
-rxn:4:214342:223573,Cc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(-c4ccc(CN5CCN(C(=O)OC(C)(C)C)CC5)cc4)cc3)CC2)c2ccccc2n1,YYDHNFSKYLGAGA-UHFFFAOYSA-N
-rxn:4:214344:222537,COc1ccc(N2C(=O)C3ON(c4ccc(-c5cc(C6CCCC6)nc(C6CCCNC6)c5)cc4)C(c4cccnc4)C3C2=O)cc1,ZFBIQNSYUUHIPY-UHFFFAOYSA-N
-rxn:4:214361:222794,CO[C@H]1CC[C@H](n2c([C@@H]3CCCC(=O)N3c3ccc(F)c(F)c3)nc3cc(-c4ccc(C(=O)Nc5cnccn5)cc4)ccc32)CC1,YPHBCILAKDXTJY-AMIUEWMLSA-N
-rxn:4:214384:223555,O=C(N1CCCC(Oc2ncc(-c3cccc(P(=O)(c4ccccc4)c4ccccc4)c3)cn2)C1)C12CC3CC(CC(C3)C1)C2,XNLYDODNPBTTDV-UHFFFAOYSA-N
-rxn:4:214618:223945,CC(=O)N1CCC(Cc2cnc(-c3ccc(OCCCN4CCOCC4)c(F)c3)cn2)C1,WYKNCNRVFNDGFF-UHFFFAOYSA-N
-rxn:4:214628:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3ccc(C(=O)N4CCN(c5nccs5)C(=O)C4)o3)c2)CC1,ARTWTFWGDPRVFE-UHFFFAOYSA-N
-rxn:4:214702:223602,CCN1CCN(c2ccc(-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3Cl)cc2[N+](=O)[O-])CC1,SKFGUTXPZYQWPK-UHFFFAOYSA-N
-rxn:4:214706:222432,CS(=O)(=O)N1CCCC(Cc2cnc(-c3ccc(S(=O)(=O)NC4CCCCC4)c4ccccc34)cn2)C1,AFYYWEBEIPXAFK-UHFFFAOYSA-N
-rxn:4:214774:224667,CN1CCN(Cc2cc(-c3ccc(N4CCN(S(=O)(=O)N(C)C)CC4)cc3)ccc2Cl)CC1,KYYZELYDXBWQDF-UHFFFAOYSA-N
-rxn:4:214829:226255,CCCCOc1ccc(Cl)cc1-c1cccnc1N1CCOC(C(=O)N2CCSCC2)C1,NNBUMLKRQPFLBP-UHFFFAOYSA-N
-rxn:4:214832:223482,COc1ccccc1N1CCN(c2ccc(-c3ccc(OC(F)(F)F)c(S(=O)(=O)N4CCC5(CC4)OCCO5)c3)cn2)CC1,VQMYMKXFEXJWFM-UHFFFAOYSA-N
-rxn:4:214835:227212,CCCCOc1ncccc1-c1cc(Cl)cnc1N1CCOC(C(=O)N2CCOCC2)C1,TUHMJKHESUAMDV-UHFFFAOYSA-N
-rxn:4:214835:227465,COCCOc1cncc(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCOCC3)C2)c1,OTSYBKIIAPAEGD-UHFFFAOYSA-N
-rxn:4:214835:227500,CCN(C)c1ncc(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCOCC3)C2)cc1Cl,VVJMKAUBMRYTCD-UHFFFAOYSA-N
-rxn:4:214836:227500,CCN(C)c1ncc(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCSCC3)C2)cc1Cl,ARWIZHCSDZVKTB-UHFFFAOYSA-N
-rxn:4:214838:227465,COCCOc1cncc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)c(F)c2)c1,QPUFCYFATATQQD-UHFFFAOYSA-N
-rxn:4:214838:227467,COCCOc1cnccc1-c1cnc(N2CCOC(C(=O)N3CCOCC3)C2)c(F)c1,PLFILFGEFNOYDL-UHFFFAOYSA-N
-rxn:4:214839:223178,CONC(=O)c1ccc(F)c(-c2cnc(N3CCOC(C(=O)N4CCSCC4)C3)c(F)c2)c1,XCEJAOKRIGVXDY-UHFFFAOYSA-N
-rxn:4:214839:223670,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2cnc(N3CCOC(C(=O)N4CCSCC4)C3)c(F)c2)CC1,OYLBLUCLFGFNHA-UHFFFAOYSA-N
-rxn:4:214839:226259,CCCCOc1ccc(-c2cnc(N3CCOC(C(=O)N4CCSCC4)C3)c(F)c2)cc1Cl,ANXMNTSTDILZCP-UHFFFAOYSA-N
-rxn:4:214839:227249,CCCOc1ccc(Cl)c(-c2cnc(N3CCOC(C(=O)N4CCSCC4)C3)c(F)c2)c1,ZPJHOLBFFMEGGQ-UHFFFAOYSA-N
-rxn:4:214853:224378,N#Cc1c(-c2cnc(N3CCCCC3)c(C(F)(F)F)c2)cccc1N1CCN(C2CCCC2)CC1,GEVRABGQQZGIIU-UHFFFAOYSA-N
-rxn:4:214867:226231,CCCCOc1ncc(-c2cnc(N3CCOC(C(=O)N4CCCC4)C3)c(C)c2)cc1C,CRGALDFZTVMCJZ-UHFFFAOYSA-N
-rxn:4:214870:225746,CC(C)(C)OC(=O)c1ncccc1-c1cc(Cl)cnc1N1CCCC(C(=O)N2CCOCC2)C1,OSASTLYPMNUOPV-UHFFFAOYSA-N
-rxn:4:214890:227500,CCN(C)c1ncc(-c2cncc(C(=O)N3CCCN(C4CCSCC4)CC3)c2)cc1Cl,IGVGRERBOWCTSK-UHFFFAOYSA-N
-rxn:4:215060:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3ncn4c3CN(C(=O)OC(C)(C)C)CC4)cc21,WZCDHQKXDFMHQS-UHFFFAOYSA-N
-rxn:4:215094:224267,Cn1c(=NC(=O)CN2C(=O)CCC2=O)sc2cc(-c3cccc(N4CCC5(CC4)OCCO5)c3)ccc21,OTOSYGKSTJCNFX-UHFFFAOYSA-N
-rxn:4:215097:222908,CC1CN(C(=O)OC(C)(C)C)Cc2cnc(-c3cncc(NC(=O)OC(C)(C)C)c3)n21,RHKBDUDCDHJPHT-UHFFFAOYSA-N
-rxn:4:215098:224493,Cn1nc(-c2ccc(CO[Si](C)(C)C(C)(C)C)cc2)c2c1CCN(C(=O)OC(C)(C)C)C2,VWGVBMTUIZSMNR-UHFFFAOYSA-N
-rxn:4:215184:224374,COc1ccc(S(=O)(=O)N2CCCC2)cc1-c1ccccc1S(=O)(=O)N1C2CCC1CC(n1cccn1)C2,QTTSGHUSXDAQTR-UHFFFAOYSA-N
-rxn:4:215219:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2ccc3ccc(N4CCOC(C(=O)N5CCOCC5)C4)nc3c2)CC1,NGTWCXAYROTFTE-UHFFFAOYSA-N
-rxn:4:215240:223155,CCNC(=O)c1cc(Cl)cc(-c2ccc(C3=NN(c4ccccc4)C4C(=O)N(c5ccc6c(c5)OCCO6)C(=O)C34)cc2)c1,RJGWRSSBFWHAHH-UHFFFAOYSA-N
-rxn:4:215288:224327,COc1ccc2[nH]c3c(c2c1)CCN(C1CC(=O)N(c2ccc(-c4cccc(S(=O)(=O)N5CCCC(C)C5)c4)cc2)C1=O)C3,WLLNHXMSJHCZMC-UHFFFAOYSA-N
-rxn:4:215296:225322,CCCN1CCC2(CC1)Oc1ccc(-c3cccc4c3c(C(F)(F)F)nn4C)cc1C1CC(c3ccccc3)=NN12,TWSXQCSSEQZVOW-UHFFFAOYSA-N
-rxn:4:215707:223595,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(C#N)c(N4CCOCC4)c3)cc2F)CC1,UEXWXXAGDOYQCJ-UHFFFAOYSA-N
-rxn:4:215943:223847,CCCCCC1CCC(c2ccc(-c3ccnc(N4CCC(N(C)C)CC4)c3)cc2)CC1,ITFNKKBTMIFAQI-UHFFFAOYSA-N
-rxn:4:215969:222628,Clc1cnc(N2CCN(C3CCC3)CC2)c(-c2cc(C3CCC3)nc(C3CCCNC3)c2)c1,JSPZXZRBBPZZLV-UHFFFAOYSA-N
-rxn:4:216343:222465,Cc1ccc(C2=NN3C(C2)c2cc(-c4cc(C5CCCCC5)nc(C5CCCNC5)c4)ccc2OC3c2ccncc2)cc1,BDVFFQRFEODKGO-UHFFFAOYSA-N
-rxn:4:217206:223501,Cc1cc(N2CCC(C)CC2)nc(-c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c(Cl)c2)n1,ZGFKUSZJAQHCJG-UHFFFAOYSA-N
-rxn:4:217907:224423,CCC[C@H]1CC[C@H](c2ccc(-c3ccc4c(c3)C3CC(c5ccc(Cl)cc5)=NN3C3(CCN(C)CC3)O4)cc2)CC1,FDIBYTPCVOSCJI-GREASCKRSA-N
-rxn:4:218567:223532,CN(CC1CN(C(=O)OC(C)(C)C)C1)c1cnc(-c2cc(F)cc(CN3CCN(C(=O)OC(C)(C)C)CC3)c2)cn1,IDKVEGSLKMOHQR-UHFFFAOYSA-N
-rxn:4:218586:224182,Cc1cc(-c2cnc(OCC3CCCN(Cc4ccc(C#N)cc4F)C3)nc2)ccc1OCCN1CCOCC1,OBRMXRHLHHPTFZ-UHFFFAOYSA-N
-rxn:4:218621:226890,O=C1CCCC(=O)N1CCS(=O)(=O)N1CCC(Oc2ncc(-c3cc(F)c(C(F)(F)F)cc3Cl)cn2)C1,BBKDOCFQTLYRSG-UHFFFAOYSA-N
-rxn:4:218621:227274,CC(=O)SCc1ccc(-c2cnc(OC3CCN(S(=O)(=O)CCN4C(=O)CCCC4=O)C3)nc2)cc1,XBQQWHMCCUSLEI-UHFFFAOYSA-N
-rxn:4:218629:223095,CC(=O)Nc1cccc(-c2cnc(OCC3CCCN(C(=O)Cc4c(C)noc4C)C3)nc2)c1[N+](=O)[O-],KSVDLPCIILTRHS-UHFFFAOYSA-N
-rxn:4:218631:223970,Cc1ccc(-c2cnc(OCC3CCN(C4CCN(CC(F)(F)F)C4=O)CC3)nc2)cc1S(=O)(=O)N1CCC(C)CC1,VSZXXPSVJJZHDS-UHFFFAOYSA-N
-rxn:4:218675:226533,CCOC(=O)c1cc(F)ccc1-c1cncc(C(=O)N2CCC(COc3cc(C4CCC4)ncn3)CC2)c1,UZZGDFJPPQABKA-UHFFFAOYSA-N
-rxn:4:218677:224615,CCOc1ccc(-c2ccc(N3CCN(C(=O)c4ccc(-c5cccc(OCCN6CCOCC6)c5)o4)CC3)nn2)cc1,MPTPRWWPQPKFSH-UHFFFAOYSA-N
-rxn:4:218682:222634,CC(=O)N1CCC(C(=O)N2CCCC(COc3ncc(-c4ccc(OCCNC5CCCC5)c(F)c4)cn3)C2)CC1,GKJALUCIHIHCJP-UHFFFAOYSA-N
-rxn:4:218683:223023,Cc1cnc(N(C)C2CCCN(C(=O)CCc3ccccc3-c3ccc(CNC(=O)N(C)C)cc3)C2)nc1,CDMHTIKTBVYKAB-UHFFFAOYSA-N
-rxn:4:218698:227334,CC(C)Oc1cc(-c2ccc(N3CC(C(=O)N4CCN(CCc5ccncc5)CC4)CC3=O)cc2)ccc1Cl,SOMAOGVNKJCZMA-UHFFFAOYSA-N
-rxn:4:218708:225155,COc1ccc(C(=O)N2CCCN(c3cc(-c4ccc(-c5ccc(C(=O)N6CCOCC6)cc5)cc4)n[nH]3)CC2)c(OC)c1,JGRIXGCKXAWGHW-UHFFFAOYSA-N
-rxn:4:218710:224437,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(CN(C)c5ccccc5)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,WJTXNCFSLKRPNS-UHFFFAOYSA-N
-rxn:4:218710:224600,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(F)c(-c5ccc(C)cc5)cc4F)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,BJATVFIQVTYDDO-UHFFFAOYSA-N
-rxn:4:218768:222721,COc1ccc(CCC(=O)N2Cc3cnc(N4CCOCC4)nc3C2)cc1-c1cc(C2CCNCC2)nc(C(F)(F)F)c1,DPSKNEUAABLHTN-UHFFFAOYSA-N
-rxn:4:218768:224352,COc1ccc(CCC(=O)N2Cc3cnc(N4CCOCC4)nc3C2)cc1-c1ccc(C2CCCOC2)c(C(F)(F)F)c1,RJOCUXLYWHNVMX-UHFFFAOYSA-N
-rxn:4:218787:225349,CCCOc1c(F)c(F)c(-c2cccc(C(=O)N=c3c(C(=O)OCC)cc4c(=O)n5ccccc5nc4n3C3CCCCC3)c2)c(F)c1F,BLTYPFYADOIVSA-UHFFFAOYSA-N
-rxn:4:218825:225094,CCCOc1cc(-c2cnc(SC)nc2N2CCN(C(=O)OCC)CC2)cc(Cl)c1OCC,PYBGWIZEARCXMW-UHFFFAOYSA-N
-rxn:4:218867:225639,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3cccnc3N3CCC(C)CC3)c2)no1,CQNXUTOPJBYKCB-UHFFFAOYSA-N
-rxn:4:218867:226159,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3cccc(N4CCCCC4)c3)c2)no1,HCUWAOFMVKHGCC-UHFFFAOYSA-N
-rxn:4:218868:223030,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3cccc(NC(=O)OC(C)C)c3)cc2)no1,SDKDMBYADMGRTE-UHFFFAOYSA-N
-rxn:4:218868:226272,CCN(C)C(=O)c1cccc(-c2ccc(-c3noc(COC(=O)C4=CN(C)S(=O)(=O)N=C4C)n3)cc2)c1,CITBVLYVUBWOLK-UHFFFAOYSA-N
-rxn:4:218886:223787,Cc1ncsc1C(=O)N1CCCC(COc2ncc(-c3ccc(OCCCN4CCN(C)CC4)c(F)c3)cn2)C1,WRJMTWUYUHGVRF-UHFFFAOYSA-N
-rxn:4:218944:222780,CN(C)CCNC(=O)c1cc(F)cc(-c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)c([N+](=O)[O-])c2)c1,WJZRTMNZRSTPBV-UHFFFAOYSA-N
-rxn:4:218944:227376,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3cncc(N4CCCC4)c3)cc2[N+](=O)[O-])CC1,OOVDQHMTLQTXBK-UHFFFAOYSA-N
-rxn:4:218968:224718,O=C(c1cncc(-c2ccc(OCCN3CCOCC3)nc2)c1)N1CCCC(Cc2nc(C3CC3)no2)C1,BOKUBECAXGIDPL-UHFFFAOYSA-N
-rxn:4:218969:223602,CN(C)c1cccc(C(=O)N2CCC(Oc3ncc(-c4ccnc(N5CCN(C(=O)OC(C)(C)C)CC5)c4Cl)cn3)C2)c1,ARXXBNQNQAJLFK-UHFFFAOYSA-N
-rxn:4:218971:224193,CCN1CCN(Cc2cc(-c3cnc(OCC4CCN(C(=O)c5sc(C)nc5C)CC4)nc3)ccc2F)CC1,GIDJDTITJWJLJN-UHFFFAOYSA-N
-rxn:4:218973:223945,CCc1cnc(OC2CCN(C(=O)c3cncc(-c4ccc(OCCCN5CCOCC5)c(F)c4)c3)CC2)nc1,HJWKIAGFUAQQFP-UHFFFAOYSA-N
-rxn:4:218976:222431,O=C1C(N2CCC(Oc3ncc(-c4ccc(S(=O)(=O)Nc5cccc6ccccc56)cc4)cn3)CC2)CCN1CC(F)(F)F,GEHZSXMFSOJVGW-UHFFFAOYSA-N
-rxn:4:218993:222712,Cc1nc(C)c(CN2CCC(COc3ncc(-c4ccc(NC(=O)OC(C)(C)C)c(F)c4F)cn3)CC2)s1,WVUXQFPBOMXFCZ-UHFFFAOYSA-N
-rxn:4:219015:222890,COc1ccc(-c2cc(OC)nc(C3CCCNC3)c2)c(C(=O)N2CCC(S(=O)(=O)c3nncn3C)CC2)c1,KEMGIMLLWMPUKG-UHFFFAOYSA-N
-rxn:4:219030:224174,CCN(C(=O)OC(C)(C)C)c1ccc(-c2ccc(-c3noc(CCN4CCN(C(C)C)CC4)n3)cc2)cc1,LMDIGKBLFSNDEV-UHFFFAOYSA-N
-rxn:4:219046:226255,CCCCOc1ccc(Cl)cc1-c1cnc(OCC2CCCN(C3CCN(C4CC4)C3=O)C2)nc1,LJJFYYAURQLVPJ-UHFFFAOYSA-N
-rxn:4:219051:222544,CN(c1cnc(-c2ccc(NC(=O)OCc3ccccc3)cc2)cn1)C1CCCN(C(=O)OC(C)(C)C)CC1,WQOMEPHXLCHCIN-UHFFFAOYSA-N
-rxn:4:219053:222684,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cncc(-c4ccc(OCCN5CCNCC5)c(Cl)c4)c3)cn2)CC1,BUWGWXMYOMSRTC-UHFFFAOYSA-N
-rxn:4:219071:224773,Cc1ccc(-c2cc(C(=O)N3CCN(S(=O)(=O)c4ccc(-c5ccc(S(=O)(=O)N6CCCC6)c(C)c5)cc4)CC3)n[nH]2)cc1,XTXIOTXLAQRPFZ-UHFFFAOYSA-N
-rxn:4:219088:223999,CCCCn1c(=O)c2c(nc(-c3cc(S(=O)(=O)N4CCC(C)CC4)ccc3F)n2CC(C)=O)n(C)c1=O,ISSAUTQSMRXPCY-UHFFFAOYSA-N
-rxn:4:219120:223028,CCCNC(=O)c1ccc(F)c(-c2cncc(C(=O)N3CC4CCCC4(COc4ncc(F)cn4)C3)c2)c1,SQYKWPLHWOBDMF-UHFFFAOYSA-N
-rxn:4:219129:223499,CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(-c3cnc(OCC4CCCN(Cc5nc6c(s5)CCC6)C4)nc3)ccc2Cl)CC1,LWRANNGUHUFXAY-UHFFFAOYSA-N
-rxn:4:219130:223830,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(C(=O)N4CCN(Cc5nc6cc(OC)ccc6[nH]5)CC4)o3)ccc2C)CC1,YINKAPLYLKWWOS-UHFFFAOYSA-N
-rxn:4:219142:224575,CC1CCN(c2ccc(-c3cc(C#N)c4[nH]nc(C5CCN(C(=O)OC(C)(C)C)CC5)c4c3)c(C#N)c2)CC1,MURZHPBHPQDCNW-UHFFFAOYSA-N
-rxn:4:219245:224351,CC(C)(C)OC(=O)N1CC(n2ncc(-c3ccc(C4CCCCO4)c(C(F)(F)F)c3)n2)C1,BHVIUEDGXONCRZ-UHFFFAOYSA-N
-rxn:4:219256:223728,CCCCCC1CCC(c2ccc(-c3cc(F)ccc3CC(=O)N3CC(n4nccn4)C3)c(F)c2)CC1,ZXDASOWSYPYWOY-UHFFFAOYSA-N
-rxn:4:219281:225193,Cn1ncc(C(=O)N2CCN(CC(F)(F)F)CC2)c1-c1ccc(C2COCCO2)c(C#N)c1,UZHQIDKUAMSDIJ-UHFFFAOYSA-N
-rxn:4:219353:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1cnc(OC2CCN(S(=O)(=O)N(C)C)CC2)nc1,SWYHKSNPROJDSW-UHFFFAOYSA-N
-rxn:4:219360:223728,CCCCCC1CCC(c2ccc(-c3cccnc3OC3CCN(C(=O)c4snnc4C)CC3)c(F)c2)CC1,XSGWZBZYONXFON-UHFFFAOYSA-N
-rxn:4:219370:223047,CC(C)(C)OC(=O)N1CCCC(n2ncc(-c3cc(F)cc(C(=O)NC4CC4)c3)n2)C1,WWARQFWZJBHFFN-UHFFFAOYSA-N
-rxn:4:219383:223728,CCCCCC1CCC(c2ccc(-c3cnc(OCC4CCCN(c5ccncc5Cl)C4)nc3)c(F)c2)CC1,YVFUETSZHHYCJT-UHFFFAOYSA-N
-rxn:4:219402:225984,CC(C)(C)OC(=O)N1CCN(c2cnc(-c3cnc(Cl)c(N4CCOCC4)c3)cn2)CC1,YMQDWMXMAMODMV-UHFFFAOYSA-N
-rxn:4:219404:225984,CC(C)(C)OC(=O)N1CCN(c2cncc(-c3cnc(Cl)c(N4CCOCC4)c3)n2)CC1,LEQHTNOSILCVHU-UHFFFAOYSA-N
-rxn:4:219405:225984,CC(C)(C)OC(=O)N1CCN(c2ccnc(-c3cnc(Cl)c(N4CCOCC4)c3)n2)CC1,BSKGSUMAOMJWBC-UHFFFAOYSA-N
-rxn:4:219406:225111,COc1ccc(-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)n2)c(F)c1OCC(C)C,UYMWWWCPOSVBDW-UHFFFAOYSA-N
-rxn:4:219410:224425,CCCC1CCC(c2ccccc2-c2cnc(OC3CCN(S(=O)(=O)N4CCOCC4)C3)nc2)CC1,PCGDQZHLNZWQQY-UHFFFAOYSA-N
-rxn:4:219413:224009,COc1ccc(-c2cnccc2OC2CCN(c3cc(C)nc(SC)n3)C2)cc1S(=O)(=O)N1CCOCC1,CVXWEZORXVPKJB-UHFFFAOYSA-N
-rxn:4:219439:223831,COc1ccc(-c2cccc(CN3CCN(c4nccc(C(F)(F)F)n4)CC3)c2)cc1S(=O)(=O)N1CCC(C)CC1,IVKDQKLLPBUTEE-UHFFFAOYSA-N
-rxn:4:219439:224328,CC1CCCCN1S(=O)(=O)c1cccc(-c2cccc(CN3CCN(c4nccc(C(F)(F)F)n4)CC3)c2)c1,RAMWDYCFHXFHEI-UHFFFAOYSA-N
-rxn:4:219463:223696,Cc1cc(OCC2CCN(c3ncc(-c4ccc(S(=O)(=O)N5CCC6(CC5)OCCO6)cc4)cn3)CC2)ccn1,SVPCTOWUQSWPPE-UHFFFAOYSA-N
-rxn:4:219464:223531,Cc1cccnc1OCC1CCN(c2ncc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)c(Cl)c3)cn2)CC1,AOFFOAQWGOEGAM-UHFFFAOYSA-N
-rxn:4:219469:225170,CSc1ncc(-c2cc(F)ccc2CN2CCOCC2)c(N2CCCN(S(=O)(=O)C3CC3)CC2)n1,NBECCZHZOYTPKW-UHFFFAOYSA-N
-rxn:4:219501:222937,CSc1ncc(-c2ccc(C(=O)NCC(F)(F)F)cc2)c(N2CCOC(C(=O)N3CCOCC3)C2)n1,HGTZVCXQHIVLDY-UHFFFAOYSA-N
-rxn:4:219531:227464,CCCCSc1ncc(-c2cnc(SC)nc2N2CCOC(C(=O)N3CCCCC3)C2)cn1,LXOWTSAFRZDPEJ-UHFFFAOYSA-N
-rxn:4:219531:227480,CCCOc1nccc(-c2cnc(SC)nc2N2CCOC(C(=O)N3CCCCC3)C2)c1Cl,WYDMNRZVVRFPDJ-UHFFFAOYSA-N
-rxn:4:219535:224773,Cc1cc(-c2ccccc2C(=O)N2CCCN(S(=O)(=O)c3cnn(C)c3)CC2)ccc1S(=O)(=O)N1CCCC1,OMCGTCMSWWTDDS-UHFFFAOYSA-N
-rxn:4:219542:224374,COc1ccc(S(=O)(=O)N2CCCC2)cc1-c1cccc(C(=O)N2CCCC(N(C)c3ncc(C)cn3)C2)c1,BEESRURVEMJLMX-UHFFFAOYSA-N
-rxn:4:219551:222673,CC(C)N1CCC(N2CCC(Oc3ncc(-c4cc(C(=O)NC5CCCCC5)ccc4Cl)cn3)CC2)C1=O,XJYXWWRZBOYQFY-UHFFFAOYSA-N
-rxn:4:219565:225357,CCOc1cc(-c2ccc(S(=O)(=O)N3CCCN(c4nc(C)cc(C)c4C#N)CC3)cc2)c(F)c(C(F)(F)F)c1,CRUHHMWFWOVAOA-UHFFFAOYSA-N
-rxn:4:219631:222537,CN(C(=O)c1ccc(-c2cc(C3CCCC3)nc(C3CCCNC3)c2)o1)C1CN(c2cc3c(nn2)CCC3)C1,PKOWTQTXEHCJAR-UHFFFAOYSA-N
-rxn:4:219653:224730,CC(C)COc1ccc(C(F)(F)F)cc1-c1ccc2nc(N3CCN(C(=O)OC(C)(C)C)CC3)sc2n1,SVXAEDBSBKEOLR-UHFFFAOYSA-N
-rxn:4:219653:225170,CC(C)(C)OC(=O)N1CCN(c2nc3ccc(-c4cc(F)ccc4CN4CCOCC4)nc3s2)CC1,CRXPBGOOHYOQCS-UHFFFAOYSA-N
-rxn:4:219655:222823,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc(CC(=O)N3C4CCC3CC(n3cncn3)C4)cc2)c(F)c1,LYBHWRIIKWSNPU-UHFFFAOYSA-N
-rxn:4:219750:223039,COc1ccc(-c2ccc(F)c(C(=O)NC(C)C)c2)c(C(=O)N2CCCc3cnc(N4CCOCC4)nc32)c1,UNGTWZOEQJMSDV-UHFFFAOYSA-N
-rxn:4:219780:226236,CCCCOc1ncc(C)cc1-c1cc2c(cc1C(F)F)N(c1nn(C3CCOCC3)c3c1CN(C(C)=O)CC3)CCC2,UXCLABBWOSUCGH-UHFFFAOYSA-N
-rxn:4:219904:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cnc(C2CCN(S(=O)(=O)N(C)C)CC2)cn1,RNZLMJYSAFWTGS-UHFFFAOYSA-N
-rxn:4:219908:224291,CN1CCCN(c2oc(-c3ccc(-c4ccc(OCCN5CCOCC5)c(F)c4)o3)nc2C#N)CC1,AXGZVMJKVNJTCL-UHFFFAOYSA-N
-rxn:4:219909:223670,Cn1cnc(N2CCC(Oc3ccncc3-c3cccnc3N3CCN(C(=O)OC(C)(C)C)CC3)C2)cc1=O,KWQYRQISYWRUKY-UHFFFAOYSA-N
-rxn:4:219959:222546,O=C(C1CN(c2ncc(-c3ccc(OCCNC4CCCCC4)c(F)c3)cn2)CCO1)N1CCOCC1,FQHNWRROPBACEU-UHFFFAOYSA-N
-rxn:4:219959:226485,COCCOc1cc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)nc2)ccc1Cl,DAGKZADTDFNDMB-UHFFFAOYSA-N
-rxn:4:219959:226490,COCCOc1ccc(F)c(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)nc2)c1,YHBLJJJKJGADFR-UHFFFAOYSA-N
-rxn:4:219959:226492,COCCOc1ccc(Cl)c(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)nc2)c1,KBMBPVAYCJIITA-UHFFFAOYSA-N
-rxn:4:219959:226559,CC(C)(C)OC(=O)c1csc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)nc2)c1,HQRGOBPUXAWSHI-UHFFFAOYSA-N
-rxn:4:219995:223570,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3cccc(N4CCN(c5ccnc(C6CC6)n5)CC4)c3)c(F)ncc21,WLMBMXHFZATVLM-UHFFFAOYSA-N
-rxn:4:220069:222919,CC(C)(C)NS(=O)(=O)c1ccc(-c2nnc3n2CCN(C(=O)OC(C)(C)C)CC3)cc1,PPTJIPLKYKKERT-UHFFFAOYSA-N
-rxn:4:220158:224319,Cc1cc(S(=O)(=O)N2CCCCC2)ccc1-c1ccccc1S(=O)(=O)N1CC2CN(c3cnccn3)CC2C1,PYIQAXHWDJBTES-UHFFFAOYSA-N
-rxn:4:220209:224377,CN1CCN(S(=O)(=O)c2ccc(-c3ccccc3S(=O)(=O)N3CCCc4cnc(N5CCOCC5)nc43)cc2)CC1,OLCVYHBESXJLKO-UHFFFAOYSA-N
-rxn:4:220257:224485,Cc1nc2c3ccc(-c4ccn([Si](C(C)C)(C(C)C)C(C)C)c4)cc3nn2c(C)c1CC(=O)N1CCOCC1,PJBKLUKCIFEKEA-UHFFFAOYSA-N
-rxn:4:220399:222439,CN1CCN(c2c(-c3ccc(S(=O)(=O)NC4CCCCC4)cc3C(F)(F)F)cncc2[N+](=O)[O-])CC1,ATSVRTGNKVBTFY-UHFFFAOYSA-N
-rxn:4:220426:223754,CC1CCN(CCCOc2ccc(-c3cnc(N4CCOCC4)nc3N3CCOCC3)cc2Cl)CC1,JNICYZRCFPRSAD-UHFFFAOYSA-N
-rxn:4:220470:223588,Cc1cc(-c2cncc(C(=O)N3CCn4nccc4C3)c2)cnc1N1CCN(C(=O)OC(C)(C)C)CC1,BXYFWDVLZINUEZ-UHFFFAOYSA-N
-rxn:4:220544:223887,Cc1ccc(N2C(=O)C3N=NN(c4ccc(-c5c(C)c6ccccc6n5C(=O)OC(C)(C)C)c(C)c4)C3C2=O)cc1F,LFKLXFXYBMZXDO-UHFFFAOYSA-N
-rxn:4:221102:224759,CC(C)c1noc(CN2CCCC(COc3ncc(-c4cc(F)cc(C(=O)N5CCOCC5)c4)cn3)C2)n1,UMKYQBUZDATAMQ-UHFFFAOYSA-N
-rxn:4:221120:223687,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3cncc(C(=O)N4CCN(Cc5nc6ccccc6n5Cc5ccccc5)CC4)c3)cn2)CC1,YQKDVJAURVLNHD-UHFFFAOYSA-N
-rxn:4:221127:225387,CCOC(=O)C1CCN(c2nc3c(S(=O)(=O)c4ccc(-c5cc([N+](=O)[O-])cc(C(F)(F)F)c5F)cc4)nnn3c3ccsc23)CC1,RMFIJGAWRZMXAP-UHFFFAOYSA-N
-rxn:4:221156:224371,CCn1cc(S(=O)(=O)N2CC(Cn3cc(-c4cnc(N5CCC(C(=O)OC)CC5)nc4)cn3)C2)nc1C,YPVFTHDSUWUUGY-UHFFFAOYSA-N
-rxn:4:221169:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cnc(OCC2CCCN(S(=O)(=O)c3cnn(C)c3)C2)nc1,ADLDNCRIBOIWHP-UHFFFAOYSA-N
-rxn:4:221173:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnc(OCC4CCCN(C(=O)c5ccc(=O)n(C)n5)C4)nc3)c(F)c2)CC1,KHYVTICGCOBMQH-ANRZFKABSA-N
-rxn:4:221173:223750,Cn1nc(C(=O)N2CCCC(COc3ncc(-c4ccc5cccnc5c4O[Si](C)(C)C(C)(C)C)cn3)C2)ccc1=O,SZOFDAHPDPVISC-UHFFFAOYSA-N
-rxn:4:221175:222525,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4cc5ccc(OCc6ccccc6)cc5[nH]4)cn3)C2)C(=O)C1=O,MFKAHHZPDRATOU-UHFFFAOYSA-N
-rxn:4:221175:224155,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4cc(C5CC5)cc(N5CCN(C)CC5)c4)cn3)C2)C(=O)C1=O,MIAUNYSCTPUQFK-UHFFFAOYSA-N
-rxn:4:221180:225158,Cc1cc(C(=O)N2CCC(COc3ncc(-c4ccc(C(=O)N5CCSCC5)cc4)cn3)CC2)nn1C,SAHUKBHEPIDHLB-UHFFFAOYSA-N
-rxn:4:221202:224603,O=C(c1ccccc1-c1cccc2c1cnn2C1CCCCO1)N1CCN(Cc2nncn2C2CCCCC2)CC1,PVXSJSOYFSISJA-UHFFFAOYSA-N
-rxn:4:221202:227611,O=C(c1ccccc1-c1ccnn1C1CCCCO1)N1CCN(Cc2nncn2C2CCCCC2)CC1,WQNRUCRGUONMSI-UHFFFAOYSA-N
-rxn:4:221205:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3ccc(CCN4CCN(c5ccnc(N6CCOCC6)n5)CC4)cc3)c2Cl)CC1,YKXSVDUNHRDHCT-UHFFFAOYSA-N
-rxn:4:221205:223994,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1ccc(CCN2CCN(c3ccnc(N4CCOCC4)n3)CC2)cc1,WEQNUEZIVCNIJI-UHFFFAOYSA-N
-rxn:4:221207:223118,CCCC(=O)Nc1cccc(-c2ccc(CCN3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)c1,SJDBTXVNENVFGJ-UHFFFAOYSA-N
-rxn:4:221208:222702,Cc1cc(N2CCN(CCc3ccc(-c4cc(C5CCCNC5)ccc4C(F)(F)F)cc3)CC2)nc(N2CCOCC2)n1,MAZFJVGCDFSVRK-UHFFFAOYSA-N
-rxn:4:221232:222775,N#Cc1cc2c(nc1N1CCCC(COc3ncc(-c4ccc(CN5CCC(O)CC5)c(F)c4)cn3)C1)CCOC2,ZUYDAOOAFDUYRD-UHFFFAOYSA-N
-rxn:4:221232:224818,N#Cc1cc2c(nc1N1CCCC(COc3ncc(-c4ccc(S(=O)(=O)N5CCSCC5)cc4)cn3)C1)CCOC2,YWEXHSVIBRNOAH-UHFFFAOYSA-N
-rxn:4:221259:222714,CCCCCn1c(=O)c2c(nc3n2CCN3c2ccc(-c3cc(NC(=O)OC(C)(C)C)cc(F)c3F)cc2)n(C)c1=O,WCWNUMZKSFCDDU-UHFFFAOYSA-N
-rxn:4:221360:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1cnc(OC2CCCN(S(=O)(=O)c3cn(C)cn3)C2)nc1,YNVNFQPGHKRFNM-UHFFFAOYSA-N
-rxn:4:221360:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cnc(OC2CCCN(S(=O)(=O)c3cn(C)cn3)C2)nc1,FXFDNUUPKMIBSD-UHFFFAOYSA-N
-rxn:4:221382:224022,O=C(c1cncc(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c1)N1CCN(c2ccc(C3CC3)nn2)CC1,DQLPORBOHQQIRG-UHFFFAOYSA-N
-rxn:4:221382:224324,O=C1CCN(C(=O)c2cc(-c3cncc(C(=O)N4CCN(c5ccc(C6CC6)nn5)CC4)c3)ccc2F)CC1,ALFLAYPVRCQHQO-UHFFFAOYSA-N
-rxn:4:221387:223536,Cc1ncnc(OCC2CCN(c3ncc(-c4cc(F)c(F)c(N5CCN(C(=O)OC(C)(C)C)CC5)c4)cn3)CC2)c1C,ZAIDUFXXWKRFRJ-UHFFFAOYSA-N
-rxn:4:221411:222584,Cn1nc(C2CCN(C(=O)c3cncc(-c4ccc(OCCCN5CCNCC5)c(F)c4)c3)CC2)n(C2CC2)c1=O,KTXCRDBHLCUTCT-UHFFFAOYSA-N
-rxn:4:221411:222852,Cn1nc(C2CCN(C(=O)c3cncc(-c4cccc(CN5CCC(O)CC5)c4)c3)CC2)n(C2CC2)c1=O,RYHKMOHZBQMYNX-UHFFFAOYSA-N
-rxn:4:221411:225738,CCCCOc1cc(F)c(-c2cncc(C(=O)N3CCC(c4nn(C)c(=O)n4C4CC4)CC3)c2)cc1F,YKKAKAVZWUQFLU-UHFFFAOYSA-N
-rxn:4:221423:223091,CC(C)(C)OC(=O)Nc1ncc(-c2ccccc2CN2CCN(c3ccc(N4CCOCC4)nn3)CC2)s1,SIUUKVACMWRSHY-UHFFFAOYSA-N
-rxn:4:221426:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3ccccc3CN3CCN(c4nccc(N5CCOCC5)n4)CC3)c2Cl)CC1,UAJUVDGSDDKZAB-UHFFFAOYSA-N
-rxn:4:221428:222994,OC1CCN(c2cccc(-c3ccc(CN4CCN(c5ccc(N6CCOCC6)nn5)CC4)cc3)c2)CC1,OBBBWTDXFPCKPG-UHFFFAOYSA-N
-rxn:4:221433:223959,CCN1CCN(C(=O)c2cc(-c3ccc(C(=O)N4CCN(c5nc(C)cc(N6CCCC6)n5)CC4)cc3)ccc2Cl)CC1,HGCZVSBIYBIMHO-UHFFFAOYSA-N
-rxn:4:221447:223186,Cc1cc(N2CCN(Cc3ccc(-c4cnn(C5CCCCO5)c4)cc3)CC2)nc(N2CCOCC2)n1,ATEULIBTSWBXQY-UHFFFAOYSA-N
-rxn:4:221453:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3ccc(C(=O)N4CCN(c5nc(C)cc(N6CCCCC6)n5)CC4)cc3)c2)CC1,NGVNWPJLPFDCDP-UHFFFAOYSA-N
-rxn:4:221453:225353,COC(=O)c1ccc(-c2ccc(C(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)cc1C(F)(F)F,FIJKDTZPZRNZAI-UHFFFAOYSA-N
-rxn:4:221455:225757,COC(=O)c1cc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCCCCC5)nn4)CC3)cc2)cc(C(C)C)n1,XCBQPJUFNNARPT-UHFFFAOYSA-N
-rxn:4:221456:222841,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C(=O)NC5CCCC5)cc4)cc3)CC2)n1,NHKUNZOYNSNUST-UHFFFAOYSA-N
-rxn:4:221456:223240,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C5CCNC5)nc4)cc3)CC2)n1,BFYLMHOBCNPRDY-UHFFFAOYSA-N
-rxn:4:221498:224738,CC(C)(C)OC(=O)N1CCN(c2ncnc3[nH]cc(-c4cc(OCC5CC5)cc(C(F)(F)F)c4)c23)CC1,HTXMKXDHBLFLRW-UHFFFAOYSA-N
-rxn:4:221521:225889,Cc1nc2c(c(N3CCCC(COc4ncc(-c5ccnn5COCC[Si](C)(C)C)cn4)C3)n1)CCC2,YMWLOIHVKWGTBQ-UHFFFAOYSA-N
-rxn:4:221620:224363,CCN(CC)S(=O)(=O)c1cc(OC)cc(-c2cnc(N3CCN(c4ccc(C(F)(F)F)cn4)CC3)nc2)c1,CWKHUYPZUJNEAZ-UHFFFAOYSA-N
-rxn:4:221633:222699,Cc1ccnc(N2CCN(c3ncc(C(F)(F)F)cc3-c3ccc(C4CCCNC4)c(C(F)(F)F)c3)CC2)n1,TUYNGQCNOOBCIS-UHFFFAOYSA-N
-rxn:4:221642:228348,CN(C)c1ccc(-c2cnc(N3CCC(N4CC(=O)N(C5CC5)C4=O)CC3)nc2)c(F)n1,WITVEWLDQXUNJE-UHFFFAOYSA-N
-rxn:4:221645:222540,CC(C)(C)c1ccc(=O)n(C2CCN(c3ncc(-c4cccc(C(=O)NCCN5CCCCC5)c4)cn3)CC2)n1,ORYJHRKHKLPWSA-UHFFFAOYSA-N
-rxn:4:221722:223841,Cc1cc(F)c(-c2cnc(OC3CCN(c4nc5ccccc5nc4C)CC3)nc2)cc1S(=O)(=O)N1CCN(C)CC1,OUKORWYYYHEKNN-UHFFFAOYSA-N
-rxn:4:221782:223679,CCN1CCN(S(=O)(=O)c2c(C)cc(-c3ccc(Cn4c(=O)c5c(nc6n5CCCN6c5ccc(C)cc5C)n(C)c4=O)cc3)cc2C)CC1,QBNHAGAPLVCRGP-UHFFFAOYSA-N
-rxn:4:221828:223504,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(N4CCN(c5nc6ccccc6o5)CC4)nc3)cc2[N+](=O)[O-])CC1,IUSGVXGYQHLNNW-UHFFFAOYSA-N
-rxn:4:221832:222723,O=S1(=O)N=C(N2CCN(c3ncc(-c4cccc(NS(=O)(=O)N5CCOCC5)c4)cn3)CC2)c2ccccc21,NAWCTABLNIWWEM-UHFFFAOYSA-N
-rxn:4:221832:223892,CN1CCN(CCCOc2ccc(-c3cnc(N4CCN(C5=NS(=O)(=O)c6ccccc65)CC4)nc3)cc2)CC1,BSKRHNPEPFEDEZ-UHFFFAOYSA-N
-rxn:4:221836:224391,Cc1cc(S(=O)(=O)N2CCOCC2)ccc1-c1cnc(N2CCCN(C3=NS(=O)(=O)c4ccccc43)CC2)nc1,YCORCIQMGRCXEF-UHFFFAOYSA-N
-rxn:4:221914:226523,CCOC(=O)N1CCN(C(=O)c2nnn(-c3ccc(-c4ccc(C(=O)OC(C)(C)C)s4)cc3)n2)CC1,PWHGDQGIPBGYPU-UHFFFAOYSA-N
-rxn:4:221933:222465,CN(C(=O)c1cncc(-c2cc(C3CCCCC3)nc(C3CCCNC3)c2)c1)C1CN(c2nccnc2C#N)C1,NXTZVBZAMSVHDU-UHFFFAOYSA-N
-rxn:4:221965:223239,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cncc(C6CCCN6)c5)cc4)CC3)nn2)CC1,IUCGQVCCQQOBTN-UHFFFAOYSA-N
-rxn:4:221971:225101,CCN(CC)C(=O)c1cc(-c2cnc(OCC3CCN(Cc4nnc5n4CCC5)CC3)nc2)ccc1Cl,KHZSKEYJZLHETR-UHFFFAOYSA-N
-rxn:4:221986:222937,CCN1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(-c3ccc(C(=O)NCC(F)(F)F)cc3)cc2)CC1,AVFLAIPAGVGBJV-UHFFFAOYSA-N
-rxn:4:221994:225053,Cc1cn2c3c(=O)n(Cc4ccc(-c5ccc(N6CCCCC6C)cc5F)cc4)c(=O)n(C)c3nc2n1CCN1CCOCC1,AALBRMVTASYJEJ-UHFFFAOYSA-N
-rxn:4:222012:223640,CCOC12C(=O)c3cc(F)cc(-c4ccccc4C(=O)N4CCN(c5ccc(-n6cccn6)nn5)CC4)c3C(=O)C1C2(C)C,VZNPYOJXRBEBBC-UHFFFAOYSA-N
-rxn:4:222032:222444,COc1ccc(F)cc1C(=O)NCc1ccc(-c2cnc(N3CCN(c4ccnc(N(C)C)n4)CC3)c(C(F)(F)F)c2)cc1,KPRLMYVGEIXCJM-UHFFFAOYSA-N
-rxn:4:222062:222964,C#CCCC(=O)Nc1cccc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCN(C)CC5)n4)CC3)cc2)c1,CWMQFSYNHHHKGA-UHFFFAOYSA-N
-rxn:4:222108:225318,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6c(F)cc(N7CCOCC7)cc6F)cc5)no4)C3C2=O)cc1F,XIABREUYRNTSMO-UHFFFAOYSA-N
-rxn:4:222124:222448,O=C(NCc1ccccc1)c1cc(-c2cccc(-c3noc(CN4N=NC5C(=O)N(c6ccc7c(c6)CCC7)C(=O)C54)n3)c2)cc([N+](=O)[O-])c1,ZYPKKNMRJHOABL-UHFFFAOYSA-N
-rxn:4:222174:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc4c(C(=O)N5CC(n6ccnn6)C5)n(C)nc4c3)c(F)cc2C)CC1,JBCKYGCVFCKBMV-UHFFFAOYSA-N
-rxn:4:222185:223694,CCN1CCN(S(=O)(=O)c2cc(-c3[nH]nc4ncnc(N5CCN(c6ccccc6OC)CC5)c34)c(F)cc2C)CC1,JEOAGRGVCGBYSN-UHFFFAOYSA-N
-rxn:4:222193:223971,CC1CCN(c2cc(-c3ccc4c(C(=O)N5Cc6cnc(N7CCOCC7)nc6C5)n(C)nc4c3)cc(C(F)(F)F)c2)CC1,DFUQOWHDQKSEPN-UHFFFAOYSA-N
-rxn:4:222351:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCN(c5ccc6nc(C(C)(C)C)cn6n5)CC4)nc3)cc2)CC1,SXGSEOAUASJLBM-UHFFFAOYSA-N
-rxn:4:222374:223994,Cc1cc(C)n(-c2cc(N3CCN(c4ncc(-c5cc(S(=O)(=O)N6CCN(C)CC6)ccc5C)cn4)CC3)nc(C)n2)n1,LFUXYNOIHVWIPT-UHFFFAOYSA-N
-rxn:4:222389:204915,CCC1Oc2c(OC)cc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)cc2C2CC(c3ccc(Cl)cc3)=NN12,QNFHILZNPUOPPT-UHFFFAOYSA-N
-rxn:4:222513:177486,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1ccc(S(C)(=O)=O)cc1OC1CC1,FIFRTJLDAWQUNN-UHFFFAOYSA-N
-rxn:4:222521:176131,CC(C)(C)OC(=O)Nc1cc(-c2cc(SC(C)(C)C)cc(SC(C)(C)C)c2)cc(C(F)(F)F)c1,CWRWEYHMKITSTE-UHFFFAOYSA-N
-rxn:4:222543:173910,COC(=O)C(C(=O)OC)c1ccc(-c2ccc(C3(NC(=O)OC(C)(C)C)CC3)cc2)cc1,PYQGXQDAIVEGOU-UHFFFAOYSA-N
-rxn:4:222543:185019,CC(C)N(C(=O)Cc1ccc(-c2ccc(C3(NC(=O)OC(C)(C)C)CC3)cc2)cc1)C(C)C,MJXAHROSVZGBFL-UHFFFAOYSA-N
-rxn:4:222581:187502,CC(C)NS(=O)(=O)c1ccc(-c2cccc(OC(C)C)c2CN2CCC(F)(F)CC2)c2ccccc12,IZIAVWWBDJBSHD-UHFFFAOYSA-N
-rxn:4:222602:175152,COC(=O)C(C)C(=O)c1cccc(-c2cc(CC(C)C)sc2S(=O)(=O)NC(C)(C)C)c1,NHAARPBNSJHBLU-UHFFFAOYSA-N
-rxn:4:222730:207946,CCCc1cc(-c2cc(OC)c3c(c2)C2CC(c4ccc(Cl)cc4)=NN2C2(CCCC2)O3)cc(C2CCNCC2)n1,HRMMOPQKKKCOEP-UHFFFAOYSA-N
-rxn:4:222801:194712,Cc1ccc(-c2ccc3c(c2)C(N2CCCC(C(F)(F)F)C2)CC3)cc1S(=O)(=O)NC(C)(C)C,XDZGLOPCLYIINB-UHFFFAOYSA-N
-rxn:4:222810:184763,COC(=O)c1ccc(-c2cc(NC(=O)OC(C)(C)C)ncc2Cl)n1C(=O)OC(C)(C)C,KXLKVVSDBIDVPN-UHFFFAOYSA-N
-rxn:4:222883:185147,CC(C)CS(=O)(=O)C1CN(S(=O)(=O)c2ccccc2-c2ccc(C(=O)NC(C)(C)C)cc2Cl)C1,OGTDWBNLCFTXPP-UHFFFAOYSA-N
-rxn:4:222943:204150,O=C(c1cccc(-c2ccc(F)c(S(=O)(=O)NC3CC3)c2)c1)N1CCCN(C2CCSCC2)CC1,GGMQVAXKQAMVOY-UHFFFAOYSA-N
-rxn:4:222981:204171,CC1CCCN(Cc2ccc(-c3ccnc(NC4CCCCC4)c3)cc2N2CCCCC2)C1,LVXHSIHYQVQNHG-UHFFFAOYSA-N
-rxn:4:223080:183958,CC(C)NS(=O)(=O)c1ccc(-c2ccc(OCC3CCN(C(=O)OC(C)(C)C)C3)cc2)cc1,RPOOUHRZLPEVCO-UHFFFAOYSA-N
-rxn:4:223080:185148,CC(C)NS(=O)(=O)c1ccc(-c2ccc(S(=O)(=O)C3CN(C(=O)OC(C)(C)C)C3)cc2)cc1,QDABUIXJDINCBV-UHFFFAOYSA-N
-rxn:4:223080:219687,CC(C)NS(=O)(=O)c1ccc(-c2ccc3nnn(C4CCN(C(=O)OC(C)(C)C)CC4)c3c2)cc1,UDVDGXFFOVMEPE-UHFFFAOYSA-N
-rxn:4:223102:187214,CC(C)(C)NS(=O)(=O)c1sccc1-c1cc(F)cc(C2CN(C(=O)OC(C)(C)C)C2)c1,YMVOMMPODDPGNQ-UHFFFAOYSA-N
-rxn:4:223570:178320,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3cc(F)cc(O[Si](C)(C)C(C)(C)C)c3)c(F)ncc21,KGRLYGRYBZQBHT-UHFFFAOYSA-N
-rxn:4:223580:175988,COC(=O)c1ccc2c(c1)cc(-c1c(OCC3CCCCC3)cccc1C(F)F)n2C(=O)OC(C)(C)C,MZDHSEQXDPLTBH-UHFFFAOYSA-N
-rxn:4:223582:184820,COC(=O)c1ccc2cc(-c3ccc(CCC(=O)OC(C)(C)C)nc3)n(C(=O)OC(C)(C)C)c2c1,AUBXHKJATHDNKN-UHFFFAOYSA-N
-rxn:4:223830:218818,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(OC)cc3C(=O)N3CC(Cn4ccnn4)C3)ccc2C)CC1,QBEPJOVCLIMJFB-UHFFFAOYSA-N
-rxn:5:176853:225453:225499,COC(=O)c1cc(-c2cccc(SC3CCCCC3)c2)c(-c2ccc(C3CCCCC3)cc2F)cc1OC,MUDRQILQVBEDMS-UHFFFAOYSA-N
-rxn:5:177181:225507:223064,COC(=O)C1CCc2cc(-c3ccc(C(=O)OC(C)C)cc3-c3ccc(C4CCNCC4)nc3F)ccc21,OCVMIBWXTDAOTL-UHFFFAOYSA-N
-rxn:5:177182:225639:225800,CCOC(=O)c1cc(C)cc(-c2ccc(C(=O)N3CCSC3)cc2)c1-c1cccnc1N1CCC(C)CC1,LFGHPPUSWXKPAR-UHFFFAOYSA-N
-rxn:5:177185:225976:225631,CC(C)OC(=O)c1cc(-c2ccnc(N3CCOCC3)c2F)ccc1-c1ccc(N2CCN(C)CC2)cc1,ULOJZXOKNAGLPM-UHFFFAOYSA-N
-rxn:5:177190:226330:225831,CCS(=O)(=O)Cc1ccc(-c2cnc(N3CCOCC3)c(C)c2)c(-c2ccc(C(C)N3CCCC3)s2)c1,STHJCSBXYKKKBC-UHFFFAOYSA-N
-rxn:5:177191:223008:225603,N#CC1(c2cccc(-c3ccc(CC(=O)C4CC4)c(-c4cc(C5CCNCC5)ccc4F)c3)c2F)CCC1,XNIOUYGQVORGJK-UHFFFAOYSA-N
-rxn:5:177191:223065:225602,N#CC1(c2ccc(F)c(-c3ccc(CC(=O)C4CC4)c(-c4ccc(N5CCNCC5)cc4F)c3)c2)CCC1,FREMJCBHBMBZKB-UHFFFAOYSA-N
-rxn:5:177191:225440:223008,N#CC1(c2ccc(-c3cc(-c4cc(C5CCNCC5)ccc4F)ccc3CC(=O)C3CC3)cc2)CCCC1,CWERDOCMRGCCPQ-UHFFFAOYSA-N
-rxn:5:177373:223138:223064,Fc1nc(C2CCNCC2)ccc1-c1ccc(OCC2OCCO2)c(-c2ccnc(C3CCNCC3)c2)c1,ASBGXRFPCNZSRU-UHFFFAOYSA-N
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-rxn:5:178314:225407:226915,CC(C)(C)[Si](C)(C)Oc1cc(-c2ccc(C3CCCCCC3)cc2)ccc1-c1ccc(C2CCCC2)cc1,WESYLYCUPBBHQQ-UHFFFAOYSA-N
-rxn:5:178314:226067:226150,CC(C)(C)[Si](C)(C)Oc1cc(-c2ccc(C3=CCCCC3)cc2)ccc1-c1cccc(SC2CCCC2)c1,XYRCITJMGYAFCL-UHFFFAOYSA-N
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-rxn:5:180267:226898:225811,CSc1cc(C(C)(C)C)cc(-c2cn(S(=O)(=O)N(C)C)nc2C)c1-c1ccc(C2(C(F)(F)F)CC2)cc1,IIRTWTQSPMBDJU-UHFFFAOYSA-N
-rxn:5:180402:226341:226140,COc1cc(F)c(C(C)C)cc1-c1ccc(C(=O)C2CCCCC2)c(-c2cc(C(C)(C)C)ccc2OC)c1,IGLFTYBLSSXMGD-UHFFFAOYSA-N
-rxn:5:180421:226686:226794,Cc1cnn(C2CCCCO2)c1-c1cc(CC2CCCCC2)ccc1-c1cnc(N2CCSCC2)nc1,PLGODEZSFYASBE-UHFFFAOYSA-N
-rxn:5:180422:222956:226685,Cc1ccc(-c2ccc(CC3CCCCC3)cc2-c2cnc(C3CCOCC3)nc2)c(C2CCCNC2)c1,IBTNOTVCDJERJN-UHFFFAOYSA-N
-rxn:5:180422:225657:227610,Cc1cc(-c2ccc(CC3CCCCC3)cc2-c2ccn(C3CCCCO3)n2)ccc1N1CCOCC1,OERHKIOAQITEJT-UHFFFAOYSA-N
-rxn:5:180422:225832:225884,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(CC2CCCCC2)cc1-c1ccc(C2COCCO2)c(F)c1,UZRQBZRBWSNXOK-UHFFFAOYSA-N
-rxn:5:180422:226364:226686,Cc1cnn(C2CCCCO2)c1-c1cc(CC2CCCCC2)ccc1-c1ccc(N2CCCCC2)nc1,FEJTZOVTIZYBDH-UHFFFAOYSA-N
-rxn:5:180506:226058:223288,CNS(=O)(=O)c1cccc(-c2c(-c3c(C(C)C)cccc3C(C)C)cc(C(C)(C)C)cc2C2OCCO2)c1,HHTIKMOHPLHBLF-UHFFFAOYSA-N
-rxn:5:180662:222980:223202,COC(=O)C1=Cc2cc(-c3ccc(C4(O)CCC4)cc3)cc(-c3ccc(CN4CCNCC4)cc3)c2OC1,MJOUESAJCNXGTA-UHFFFAOYSA-N
-rxn:5:180662:222985:227501,COC(=O)C1=Cc2cc(-c3ccc(C=C[N+](=O)[O-])cc3)cc(-c3ccc(C4CCCNC4)nc3C)c2OC1,FZEXWBMLWJBHHT-UHFFFAOYSA-N
-rxn:5:180662:222986:226838,COC(=O)C1=Cc2cc(-c3cnc(C#N)c(C(F)(F)F)c3)cc(-c3cc(C)nc(C4CCCNC4)c3)c2OC1,ZZEMCXPKJVRQKZ-UHFFFAOYSA-N
-rxn:5:180662:223061:223065,COC(=O)C1=Cc2cc(-c3ccc(N4CCNCC4)cc3F)cc(-c3cc(C4CCNCC4)ncc3F)c2OC1,TUJHUPDXGDEKOM-UHFFFAOYSA-N
-rxn:5:180662:223062:228210,COC(=O)C1=Cc2cc(-c3ccc(N4CCCC4)s3)cc(-c3cnc(C4CCNCC4)cc3F)c2OC1,VXGLYTQEAOLFGZ-UHFFFAOYSA-N
-rxn:5:180662:223062:228211,COC(=O)C1=Cc2cc(-c3cc(N4CCCC4)cs3)cc(-c3cnc(C4CCNCC4)cc3F)c2OC1,ANPREKQNXVGSNJ-UHFFFAOYSA-N
-rxn:5:180662:223294:225978,COC(=O)C1=Cc2cc(-c3ccc(N4CCOCC4)nc3F)cc(-c3csc(N4CCNCC4)n3)c2OC1,SIPBGRAOIADGEQ-UHFFFAOYSA-N
-rxn:5:180662:226572:226898,COC(=O)C1=Cc2cc(-c3cn(S(=O)(=O)N(C)C)nc3C)cc(-c3cnc(OC4CCCC4)nc3)c2OC1,JIEOVFBBJUZSMB-UHFFFAOYSA-N
-rxn:5:180662:226649:226744,CCc1cc(-c2cc3c(c(-c4cccnc4N4CCOCC4)c2)OCC(C(=O)OC)=C3)cnc1C(F)(F)F,LYRGRWQZDILYTL-UHFFFAOYSA-N
-rxn:5:181628:225832:225671,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2cc(C3CCCCC3)ncc2F)c(C2OCCO2)c1,XIJMELSTHIGTSZ-UHFFFAOYSA-N
-rxn:5:181904:222956:226429,Cc1ccc(-c2ccc(C3OCCO3)c(C)c2-c2ccc(N3CCCC(C)C3)s2)c(C2CCCNC2)c1,DQYFZCWJPLASIJ-UHFFFAOYSA-N
-rxn:5:181905:225451:226425,Cc1ccc(-c2ccc(N3CCCCC3C)s2)c(C2OCCO2)c1-c1ccc(SC2CCCCC2)cc1,DBWIQBDSUMUEJC-UHFFFAOYSA-N
-rxn:5:181905:225469:226686,Cc1ccc(-c2c(C)cnn2C2CCCCO2)c(C2OCCO2)c1-c1ccc(N2CCCC(C)C2)cc1,AAYLRJZGGKKTOH-UHFFFAOYSA-N
-rxn:5:181906:225607:223186,Cc1ccc(-c2ccc(C(C)N3CCCCC3)s2)c(C2OCCO2)c1-c1cnn(C2CCCCO2)c1,LIBJKIGVQJMVPW-UHFFFAOYSA-N
-rxn:5:181907:222998:226425,Cc1cc(-c2cc(F)cc(C3CCCNC3)c2)c(-c2ccc(N3CCCCC3C)s2)c(C2OCCO2)c1,JSDUMJPJQBIEEA-UHFFFAOYSA-N
-rxn:5:181907:225439:226330,Cc1cc(-c2cccc(C(C)N3CCCC3)c2)c(-c2ccc(C(C)N3CCCC3)s2)c(C2OCCO2)c1,JPEUTRZJVDJFTG-UHFFFAOYSA-N
-rxn:5:181907:225805:226447,Cc1cc(-c2ccc(C(C)N3CCOCC3)s2)c(-c2ccnc(C3CCOCC3)c2)c(C2OCCO2)c1,IEEDWAKSRWCFMR-UHFFFAOYSA-N
-rxn:5:181907:226059:225832,Cc1cc(-c2ccc(C(C)C)cc2C(C)C)c(-c2c(C)nn(C3CCCCO3)c2C)c(C2OCCO2)c1,AMDJXUXPNJHKHH-UHFFFAOYSA-N
-rxn:5:181907:226686:226426,Cc1cc(-c2c(C)cnn2C2CCCCO2)c(-c2ccc(N3CCC(C)CC3)s2)c(C2OCCO2)c1,VNHBLQLLSFVRJX-UHFFFAOYSA-N
-rxn:5:181908:222956:222958,Cc1ccc(-c2cc(C)c(C3OCCO3)cc2-c2ccc(C)c(C3CCNCC3)c2)c(C2CCCNC2)c1,UBCWQSWMSCAXKJ-UHFFFAOYSA-N
-rxn:5:181908:222957:222987,Cc1cc(-c2cc(C)c(C3OCCO3)cc2-c2ccc(C3CCNCC3)nc2C)cc(C2CCCNC2)c1,FXQBGRLZAGOCLQ-UHFFFAOYSA-N
-rxn:5:181908:222958:225439,Cc1ccc(-c2cc(C)c(C3OCCO3)cc2-c2cccc(C(C)N3CCCC3)c2)cc1C1CCNCC1,ZGECTZHVXSKRKA-UHFFFAOYSA-N
-rxn:5:181908:222996:225640,Cc1cc(-c2ccc(F)cc2C2CCCNC2)c(-c2ccnc(N3CCCCC3C)c2)cc1C1OCCO1,SRRDZYVZRBCHMS-UHFFFAOYSA-N
-rxn:5:181908:223000:226652,Cc1cc(-c2cc(C3OCCO3)c(C)cc2-c2ccc(C3CCCNC3)c(F)c2)n(C2CCCCO2)n1,KTAFOVLVQVFCBK-UHFFFAOYSA-N
-rxn:5:181908:225438:225654,Cc1cc(-c2ccc(C(C)N3CCCC3)cc2)c(-c2ccc(N3CCCC(C)C3)nc2)cc1C1OCCO1,SYABWGQUSREWDH-UHFFFAOYSA-N
-rxn:5:181908:225462:225654,Cc1cc(-c2cccc(N3CCC(C)CC3)c2)c(-c2ccc(N3CCCC(C)C3)nc2)cc1C1OCCO1,ZMPRTELOBZIJCX-UHFFFAOYSA-N
-rxn:5:181908:225641:225514,Cc1cc(-c2ccnc(N3CCCC(C)C3)c2)c(-c2cccc3c2OCC2(CC2)CO3)cc1C1OCCO1,SEQBMDRSGRMLFU-UHFFFAOYSA-N
-rxn:5:181908:225652:225407,Cc1cc(-c2cncc(N3CCCC(C)C3)c2)c(-c2ccc(C3CCCCCC3)cc2)cc1C1OCCO1,FVARNBYXQPVZAV-UHFFFAOYSA-N
-rxn:5:181908:225832:226064,Cc1cc(-c2c(C)nn(C3CCCCO3)c2C)c(-c2ccc(C3CCCCC3)cc2)cc1C1OCCO1,JGGMVDSTMAHIQZ-UHFFFAOYSA-N
-rxn:5:181908:225832:227611,Cc1cc(-c2c(C)nn(C3CCCCO3)c2C)c(-c2ccnn2C2CCCCO2)cc1C1OCCO1,RACFZFGOHILFRR-UHFFFAOYSA-N
-rxn:5:181908:226686:222996,Cc1cc(-c2c(C)cnn2C2CCCCO2)c(-c2ccc(F)cc2C2CCCNC2)cc1C1OCCO1,VLBNTQRFCXSIJQ-UHFFFAOYSA-N
-rxn:5:182009:225832:226182,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2cccnc2C2CCCCC2)cc1C1CCOCC1,UTUUVKUDJBILQO-UHFFFAOYSA-N
-rxn:5:182010:226686:222994,Cc1cnn(C2CCCCO2)c1-c1cc(-c2cccc(N3CCC(O)CC3)c2)ccc1C1CCOCC1,LRJQEXQNYJMNCA-UHFFFAOYSA-N
-rxn:5:182012:222957:222981,Cc1cc(-c2ccc(-c3ccnc(NC4CCCCC4)c3)c(C3CCCOC3)c2)cc(C2CCCNC2)c1,CUQWDAJFOBRBFU-UHFFFAOYSA-N
-rxn:5:182012:226382:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2cnc(C3CCCCC3)nc2)cc1C1CCCOC1,NTFWYXKHEOFXTO-UHFFFAOYSA-N
-rxn:5:182012:226428:222960,Cc1cc(-c2ccc(-c3cc(N4CCCCC4C)cs3)cc2C2CCCOC2)cc(C2CCNCC2)c1,CUFNQMYNALWYBC-UHFFFAOYSA-N
-rxn:5:183189:225832:226450,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2cccc(C3(C)OCCO3)c2)cc2c1OC(C)(C)OC2,PBVPUKHENDIRJI-UHFFFAOYSA-N
-rxn:5:183189:226686:223001,Cc1cnn(C2CCCCO2)c1-c1cc(-c2cc(C3CCCNC3)ccc2F)cc2c1OC(C)(C)OC2,LQZINZYDBRPTFL-UHFFFAOYSA-N
-rxn:5:188720:225805:225976,COC(OC)c1cc(-c2ccc(C(C)N3CCOCC3)s2)cnc1-c1ccnc(N2CCOCC2)c1F,HPEKALWAAGAUSI-UHFFFAOYSA-N
-rxn:5:188720:225805:225978,COC(OC)c1cc(-c2ccc(C(C)N3CCOCC3)s2)cnc1-c1ccc(N2CCOCC2)nc1F,RMLJGUCQNNUXSV-UHFFFAOYSA-N
-rxn:5:188720:225805:225980,COC(OC)c1cc(-c2ccc(C(C)N3CCOCC3)s2)cnc1-c1cc(N2CCOCC2)ncc1F,SCVOBBXOFIZCRF-UHFFFAOYSA-N
-rxn:5:188720:225805:225982,COC(OC)c1cc(-c2ccc(C(C)N3CCOCC3)s2)cnc1-c1cnc(N2CCOCC2)cc1F,VPVUSPRVXXUSIF-UHFFFAOYSA-N
-rxn:5:188930:226177:226182,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccnc(C3CCCCC3)c2)cc1-c1cccnc1C1CCCCC1,JKRLJMXARDSREQ-UHFFFAOYSA-N
-rxn:5:188930:226182:226177,COC(=O)c1cc(S(N)(=O)=O)c(-c2cccnc2C2CCCCC2)cc1-c1ccnc(C2CCCCC2)c1,VGVUXMHSUCSYBW-UHFFFAOYSA-N
-rxn:5:188930:226382:226182,COC(=O)c1cc(S(N)(=O)=O)c(-c2cnc(C3CCCCC3)nc2)cc1-c1cccnc1C1CCCCC1,MAFSOOFOKVXZKJ-UHFFFAOYSA-N
-rxn:5:188930:227451:223058,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccc(C3CC3(F)F)cc2)cc1-c1cc(F)nc(C2CCCNC2)c1,NRSWTRWNAHXEGI-UHFFFAOYSA-N
-rxn:5:188931:225811:227507,COC(=O)c1cc(-c2ccc(C3(C(F)(F)F)CC3)cc2)cc(S(N)(=O)=O)c1-c1cccc(C=C[N+](=O)[O-])c1,ZGHQKBXQMTZMLX-UHFFFAOYSA-N
-rxn:5:188932:226177:226382,COC(=O)c1cc(-c2cnc(C3CCCCC3)nc2)c(S(N)(=O)=O)c(-c2ccnc(C3CCCCC3)c2)c1,XDPNJZVBCVDBHP-UHFFFAOYSA-N
-rxn:5:188932:226645:226645,COC(=O)c1cc(-c2ccnc(N3CCOCC3)c2)c(S(N)(=O)=O)c(-c2ccnc(N3CCOCC3)c2)c1,BFZSYJHUSCEPRR-UHFFFAOYSA-N
-rxn:5:189001:223002:225976,COC(=O)C1(c2nc(-c3ccnc(N4CCOCC4)c3F)ccc2-c2ccc(C3CCNCC3)cc2F)CC1,LLXMUJCEUNJDMK-UHFFFAOYSA-N
-rxn:5:189001:223008:225976,COC(=O)C1(c2nc(-c3ccnc(N4CCOCC4)c3F)ccc2-c2cc(C3CCNCC3)ccc2F)CC1,BFBJNEPDWUETSP-UHFFFAOYSA-N
-rxn:5:189001:223133:225982,COC(=O)C1(c2nc(-c3cnc(N4CCOCC4)cc3F)ccc2-c2ccccc2N2CCNCC2)CC1,IZNWETIBFLVSCV-UHFFFAOYSA-N
-rxn:5:189001:225868:226664,COC(=O)C1(c2nc(-c3cc(N4CCCC4)ncc3F)ccc2-c2ccc(N3CCOCC3)c(F)c2)CC1,BSMVKBNNDZBWMV-UHFFFAOYSA-N
-rxn:5:189001:225872:226663,COC(=O)C1(c2nc(-c3ccc(N4CCSCC4)nc3)ccc2-c2cc(F)c(F)c(N3CCCC3)c2)CC1,GCJXEZULJXJRDO-UHFFFAOYSA-N
-rxn:5:189001:225879:225982,COC(=O)C1(c2nc(-c3cnc(N4CCOCC4)cc3F)ccc2-c2ccc(N3CCOCC3)cc2F)CC1,ANAVKMQUBGFSFG-UHFFFAOYSA-N
-rxn:5:189001:225879:226679,COC(=O)C1(c2nc(-c3cnc(N4CCCC4)cc3F)ccc2-c2ccc(N3CCOCC3)cc2F)CC1,NOZPLMFCEAPHMG-UHFFFAOYSA-N
-rxn:5:189001:225943:225982,COC(=O)C1(c2nc(-c3cnc(N4CCOCC4)cc3F)ccc2-c2ccc(C(=O)N3CCOCC3)s2)CC1,UYAHOYLYETWZHW-UHFFFAOYSA-N
-rxn:5:189001:225976:223000,COC(=O)C1(c2nc(-c3ccc(C4CCCNC4)c(F)c3)ccc2-c2ccnc(N3CCOCC3)c2F)CC1,OWJSWRQLGKGFPK-UHFFFAOYSA-N
-rxn:5:189001:225976:223002,COC(=O)C1(c2nc(-c3ccc(C4CCNCC4)cc3F)ccc2-c2ccnc(N3CCOCC3)c2F)CC1,PZAZZTKQUGPVIU-UHFFFAOYSA-N
-rxn:5:189001:225976:223004,COC(=O)C1(c2nc(-c3ccc(C4CCNCC4)c(F)c3)ccc2-c2ccnc(N3CCOCC3)c2F)CC1,HDENBJZHAKQHDY-UHFFFAOYSA-N
-rxn:5:189001:225976:223008,COC(=O)C1(c2nc(-c3cc(C4CCNCC4)ccc3F)ccc2-c2ccnc(N3CCOCC3)c2F)CC1,CAZPUMVUPCEERU-UHFFFAOYSA-N
-rxn:5:189001:225982:223004,COC(=O)C1(c2nc(-c3ccc(C4CCNCC4)c(F)c3)ccc2-c2cnc(N3CCOCC3)cc2F)CC1,NKXOYJHYQSQIBR-UHFFFAOYSA-N
-rxn:5:189001:225982:225879,COC(=O)C1(c2nc(-c3ccc(N4CCOCC4)cc3F)ccc2-c2cnc(N3CCOCC3)cc2F)CC1,DJZCDOLJAVPZIP-UHFFFAOYSA-N
-rxn:5:189080:225976:223063,CN(C)C(=O)Cc1ccc(-c2ccnc(N3CCOCC3)c2F)cc1-c1cc(F)nc(C2CCNCC2)c1,RMHLEKLSLNYXGD-UHFFFAOYSA-N
-rxn:5:189081:223063:225976,CN(C)C(=O)Cc1ccc(-c2ccnc(N3CCOCC3)c2F)cc1-c1cc(F)nc(C2CCNCC2)c1,RMHLEKLSLNYXGD-UHFFFAOYSA-N
-rxn:5:189081:223063:225980,CN(C)C(=O)Cc1ccc(-c2cc(N3CCOCC3)ncc2F)cc1-c1cc(F)nc(C2CCNCC2)c1,ZDOVFKUUOXBBBI-UHFFFAOYSA-N
-rxn:5:189082:223058:225980,CN(C)C(=O)Cc1ccc(-c2cc(N3CCOCC3)ncc2F)c(-c2cc(F)nc(C3CCCNC3)c2)c1,ZWDVBACQSBCWDP-UHFFFAOYSA-N
-rxn:5:189082:223063:225980,CN(C)C(=O)Cc1ccc(-c2cc(N3CCOCC3)ncc2F)c(-c2cc(F)nc(C3CCNCC3)c2)c1,KJOAFCPBCVJLTJ-UHFFFAOYSA-N
-rxn:5:189082:223063:225982,CN(C)C(=O)Cc1ccc(-c2cnc(N3CCOCC3)cc2F)c(-c2cc(F)nc(C3CCNCC3)c2)c1,OQRKRHJDNYGCOT-UHFFFAOYSA-N
-rxn:5:189082:225976:223063,CN(C)C(=O)Cc1ccc(-c2cc(F)nc(C3CCNCC3)c2)c(-c2ccnc(N3CCOCC3)c2F)c1,FOSNCLLWUPBWTQ-UHFFFAOYSA-N
-rxn:5:189083:223058:225980,CCN(C)C(=O)c1cccc(-c2cc(F)nc(C3CCCNC3)c2)c1-c1cc(N2CCOCC2)ncc1F,DDRCKBQXIHZUGW-UHFFFAOYSA-N
-rxn:5:189083:223063:225982,CCN(C)C(=O)c1cccc(-c2cc(F)nc(C3CCNCC3)c2)c1-c1cnc(N2CCOCC2)cc1F,VQWCGTRCXLPGHC-UHFFFAOYSA-N
-rxn:5:189207:227913:226151,Cc1cc(OC(C)C)c(-c2ccc(-c3ccc(OC(C)C)cc3)cc2C(=O)ON2C(=O)CCC2=O)cc1C,JLFUHQWIYDRAMD-UHFFFAOYSA-N
-rxn:5:189449:225453:227069,COc1ccc(-c2ccc(-c3cccc(SC4CCCCC4)c3)c(C(=O)N3CC(OC)C3)c2)c(C(C)C)c1,IKZOJJNVJAJZES-UHFFFAOYSA-N
-rxn:5:189538:223189:223018,CC(C)N(C)C(=O)c1ccc(-c2ccc(NS(C)(=O)=O)cc2F)c(-c2ccc3c(c2)NC(=O)C(C)(C)O3)c1,WICNWTBDYOEFGN-UHFFFAOYSA-N
-rxn:5:189662:223007:223058,Fc1cc(-c2cnc(-c3cc(F)nc(C4CCCNC4)c3)c(OCC3CCOCC3)c2)cc(C2CCNCC2)c1,YGEFFZUEEXSDKE-UHFFFAOYSA-N
-rxn:5:189665:227024:223058,CC(c1cccc(-c2cnc(OCC3CCOCC3)c(-c3cc(F)nc(C4CCCNC4)c3)c2)c1)N(C)C,FLWGGFDJUPCKQK-UHFFFAOYSA-N
-rxn:5:189665:227710:222985,Cc1nc(C2CCCNC2)ccc1-c1cc(-c2ccc(OS(C)(=O)=O)cc2)cnc1OCC1CCOCC1,UIOYOWOZWSMSHG-UHFFFAOYSA-N
-rxn:5:189668:225447:227045,CC(C)(C)Sc1cccc(-c2ccc(CC(=O)N3CCCC3)c(-c3ccc(OC4CCCCC4)cc3)c2)c1,TYHDSQJUXZSSHN-UHFFFAOYSA-N
-rxn:5:189668:225499:227361,COc1cc(-c2ccc(CC(=O)N3CCCC3)c(-c3ccc(C4CCCCC4)cc3F)c2)c(OC)cc1C,MXSFUZWSAQLBDS-UHFFFAOYSA-N
-rxn:5:189675:226069:226190,CC(C)(C)S(=O)/N=C/c1cc(-c2ccc(C3CCCC3)cc2F)ccc1-c1cccc(C2CCCCC2)c1,BIYCXJFYKIILPK-GOJREDGKSA-N
-rxn:5:189676:227039:225451,CC(C)(C)Oc1ccc(-c2cc(CC(=O)N3CCCC3)ccc2-c2ccc(SC3CCCCC3)cc2)cc1,OYBIHNDOIKHNID-UHFFFAOYSA-N
-rxn:5:189718:227929:226431,CCOc1cc(C)ccc1-c1cc(OC2CCOCC2)c([N+](=O)[O-])cc1-c1ccc(N2CCCC2)c(F)c1,BVXOFVLSEYRABX-UHFFFAOYSA-N
-rxn:5:189829:225671:227837,COc1c(-c2cc(C)cc(C3CC3)c2)cc(C(=O)N2CCCC2)cc1-c1cc(C2CCCCC2)ncc1F,NGESQWMXZRLRAU-UHFFFAOYSA-N
-rxn:5:189829:226150:226211,COc1c(-c2cccc(SC3CCCC3)c2)cc(C(=O)N2CCCC2)cc1-c1ccc2c(c1)CCN2C(C)=O,MIZHJJIQRNSURQ-UHFFFAOYSA-N
-rxn:5:189829:227353:226212,CON=C1CCc2cc(-c3cc(C(=O)N4CCCC4)cc(-c4c(C)cc(OC)cc4OC)c3OC)ccc21,ACLJRDCKLKMZFE-UHFFFAOYSA-N
-rxn:5:189908:222988:227710,Cc1cc(-c2cnc(-c3ccc(OS(C)(=O)=O)cc3)c(OCC3CCCCC3)c2)cc(C2CCNCC2)n1,GDPGMYMIUMBLCI-UHFFFAOYSA-N
-rxn:5:189910:226644:225834,Fc1cnc(N2CCCCC2)cc1-c1ccc(-c2cncc(N3CCOCC3)c2)cc1CCN1CCOCC1,GVTJYBFJAOZOSS-UHFFFAOYSA-N
-rxn:5:189952:225784:223062,COc1c(-c2ccc(CN3CCOCC3)nc2)cc(C(=O)N2CCOCC2)cc1-c1cnc(C2CCNCC2)cc1F,NFRPEDVZYYVHIB-UHFFFAOYSA-N
-rxn:5:189952:225943:226413,COc1c(-c2cccc(N3CCOCC3)c2)cc(C(=O)N2CCOCC2)cc1-c1ccc(C(=O)N2CCOCC2)s1,UDBMJPPNWSYUND-UHFFFAOYSA-N
-rxn:5:190000:227053:225451,CC(C)(C)Oc1cccc(-c2cc(-c3ccc(SC4CCCCC4)cc3)ccc2CC(=O)N2CCCCC2)c1,UVABNYNOTSNICW-UHFFFAOYSA-N
-rxn:5:190000:228184:225451,COc1ccc(-c2cc(-c3ccc(SC4CCCCC4)cc3)ccc2CC(=O)N2CCCCC2)cc1SC,QIVDWUVIVUENHB-UHFFFAOYSA-N
-rxn:5:190001:223105:227048,CNS(=O)(=O)c1cc(-c2cc(CC(=O)N3CCCCC3)ccc2-c2ccc(C(=O)C(C)C)cc2)c(F)cc1C,SLLVIXGLYWWARE-UHFFFAOYSA-N
-rxn:5:190001:226129:227052,CC(C)(C)Sc1ccc(-c2ccc(CC(=O)N3CCCCC3)cc2-c2cccc(CN3CCCC3)c2)cc1,JLWJCKNHYUFLQG-UHFFFAOYSA-N
-rxn:5:190001:226181:227290,CN(C)C(=O)c1cccc(-c2ccc(CC(=O)N3CCCCC3)cc2-c2ccc(C3=CCCCC3)nc2)c1,KOQAIFYEYUFJEI-UHFFFAOYSA-N
-rxn:5:190001:228469:226836,Cc1ncc([N+](=O)[O-])cc1-c1cc(CC(=O)N2CCCCC2)ccc1-c1cn(C(C)C)nc1C(F)(F)F,BLVXOMUOMJOMKI-UHFFFAOYSA-N
-rxn:5:190127:226146:227073,COc1cc(-c2ccc(-c3ccc(SC4CCCC4)cc3)cc2C(=O)N2CCC(OC)CC2)cc(C2CC2)c1,QAXRSQVSLNDITK-UHFFFAOYSA-N
-rxn:5:190127:226335:227166,COC1CCN(C(=O)c2cc(-c3ccc(C4COC4)c(C#N)c3)ccc2-c2ccc3c(c2)OCCN3C)CC1,XOOBLANMSVXDGT-UHFFFAOYSA-N
-rxn:5:190127:228925:225436,COC1CCN(C(=O)c2cc(-c3cc(SC)cnc3F)ccc2-c2ccc(CN3CCCCC3)cc2)CC1,PKADCBHKHVPLKS-UHFFFAOYSA-N
-rxn:5:190128:225498:228184,COc1ccc(-c2cc(C(=O)N3CCC(OC)CC3)ccc2-c2cc(C3CCCCC3)ccc2F)cc1SC,ZLSCRVZEPGIXLB-UHFFFAOYSA-N
-rxn:5:190128:227052:227349,COc1cc(C)cc(-c2cc(C(=O)N3CCC(OC)CC3)ccc2-c2ccc(SC(C)(C)C)cc2)c1OC,JSGMQUOOSKTENJ-UHFFFAOYSA-N
-rxn:5:190128:227056:226146,COc1cccc(C2CC2)c1-c1ccc(C(=O)N2CCC(OC)CC2)cc1-c1ccc(SC2CCCC2)cc1,SNAFLALZPVWZMJ-UHFFFAOYSA-N
-rxn:5:190131:223285:227079,COc1c(-c2cc(CC(C)C)ccc2F)cc(C(=O)N2CCCCC2)cc1-c1ccccc1NS(C)(=O)=O,JWAWQRZTSKBNNF-UHFFFAOYSA-N
-rxn:5:190131:226033:227834,COc1cc(-c2cc(C(=O)N3CCCCC3)cc(-c3ccc(C4CC4)c(C)c3)c2OC)cc(C(F)(F)F)c1F,HWAIIZVCHAJUTH-UHFFFAOYSA-N
-rxn:5:190131:226140:227052,COc1ccc(C(C)(C)C)cc1-c1cc(C(=O)N2CCCCC2)cc(-c2ccc(SC(C)(C)C)cc2)c1OC,WONATMAVVQQYHW-UHFFFAOYSA-N
-rxn:5:190131:226371:228134,CCOc1ccc(-c2cc(C(=O)N3CCCCC3)cc(-c3cnc(N4CCCC4)cc3C)c2OC)c(C)n1,SRLHXLSWOOLFCO-UHFFFAOYSA-N
-rxn:5:190132:225453:227940,CCc1cc(SC)cc(-c2cc(-c3cccc(SC4CCCCC4)c3)ccc2C(=O)N2CCC(OC)CC2)c1,PKKKGGBLEXJSDP-UHFFFAOYSA-N
-rxn:5:190194:223294:227077,CCC(C)c1ccc(-c2c(CN3CCC(OC)CC3)cccc2-c2csc(N3CCNCC3)n2)c(F)c1,VKWZHPGTAUEUEU-UHFFFAOYSA-N
-rxn:5:190194:227076:226654,CCC(C)c1ccc(F)c(-c2cccc(CN3CCC(OC)CC3)c2-c2csc(N3CCC(C)CC3)n2)c1,RWHCHQQZAHLNCE-UHFFFAOYSA-N
-rxn:5:190194:227078:226146,COc1ccc(C2CC2)c(-c2cccc(CN3CCC(OC)CC3)c2-c2ccc(SC3CCCC3)cc2)c1,ZXTXYADGTCHCDH-UHFFFAOYSA-N
-rxn:5:190195:225394:225886,CN(Cc1ccc(-c2cc(C3CCC3)cc(C3CC3)c2)c(-c2ccc3c(ccn3S(C)(=O)=O)c2)c1)C1CCOCC1,IDUODQZJSFIZHL-UHFFFAOYSA-N
-rxn:5:190195:226864:226901,CN(Cc1ccc(-c2cc(F)c(OC(F)F)c(F)c2)c(-c2cccc(S(F)(F)(F)(F)F)c2)c1)C1CCOCC1,XUEFWDSHBUFHEO-UHFFFAOYSA-N
-rxn:5:190196:222417:225655,CC1CCN(c2cncc(-c3cc(-c4cnc(=O)[nH]c4C(C)C)ccc3CN(C)C3CCOCC3)c2)CC1,RSGVFIGDDQBPOZ-UHFFFAOYSA-N
-rxn:5:190196:225976:222417,CC(C)c1[nH]c(=O)ncc1-c1cc(-c2ccnc(N3CCOCC3)c2F)ccc1CN(C)C1CCOCC1,JQMNMNWSSDYXBA-UHFFFAOYSA-N
-rxn:5:190197:226841:226594,COc1cc(-c2cc(-c3c(F)cc(OC(C)C)cc3F)ccc2CN(C)C2CCOCC2)cnc1C(F)(F)F,JLVYZKHMWNKIEY-UHFFFAOYSA-N
-rxn:5:190197:228473:223062,CN(Cc1ccc(-c2cnc(C3CCNCC3)cc2F)cc1-c1cc([N+](=O)[O-])ccc1F)C1CCOCC1,DKSGHUPOMKMMJU-UHFFFAOYSA-N
-rxn:5:190199:223062:223113,CN(Cc1cc(-c2ccc3c(c2)C(C)(C)C(=O)N3)ccc1-c1cnc(C2CCNCC2)cc1F)C1CCOCC1,JNGYMMOASMKHFK-UHFFFAOYSA-N
-rxn:5:190201:223062:227942,CCc1ccc(-c2ccc(-c3cnc(C4CCNCC4)cc3F)cc2CCN2CCOC(C)C2)c(OC)c1,KSADLDVGMKPCKW-UHFFFAOYSA-N
-rxn:5:190231:222421:225884,COc1c(-c2cncc(S(N)(=O)=O)c2)cc(C(=O)N2CCOC(C)C2)cc1-c1ccc(C2COCCO2)c(F)c1,QQIROAIXLWGELJ-UHFFFAOYSA-N
-rxn:5:190264:223437:223008,CC1CCN(C(=O)Cc2ccc(-c3cc(C4CCNCC4)ccc3F)c(-c3cc(C#N)[nH]c(=O)c3)c2)CC1,NELNZRMRZGTODC-UHFFFAOYSA-N
-rxn:5:190264:225453:227935,CCc1cc(-c2ccc(CC(=O)N3CCC(C)CC3)cc2-c2cccc(SC3CCCCC3)c2)ccc1OC,MVXQSFHNTQHWKL-UHFFFAOYSA-N
-rxn:5:190264:227448:227772,CC1CCN(C(=O)Cc2ccc(-c3cncc(OC(F)(F)F)c3)c(-c3ccc(C4COC4)c(F)c3)c2)CC1,VOHGTVPGCCRQBZ-UHFFFAOYSA-N
-rxn:5:190265:226131:225886,CC1CCCN(C(=O)Cc2ccc(-c3ccc4c(ccn4S(C)(=O)=O)c3)c(-c3ccccc3CN3CCCC3)c2)C1,LBNHNNOXXJTPNN-UHFFFAOYSA-N
-rxn:5:190307:225499:223285,CC1CCN(CCc2cc(-c3ccc(C4CCCCC4)cc3F)ccc2-c2ccccc2NS(C)(=O)=O)CC1,YEAKPAPPWMCGBN-UHFFFAOYSA-N
-rxn:5:190308:225620:226331,CC1CCCN(CCc2cc(-c3ccc(OC4CCOCC4)cc3)ccc2-c2ccc(C3(C#N)CC3)cc2F)C1,KXIPLPPQYWRDJO-UHFFFAOYSA-N
-rxn:5:190309:225886:225395,CC1CCCCN1CCc1cc(-c2ccc3c(ccn3S(C)(=O)=O)c2)ccc1-c1cc(C2CC2)cc(C(C)(C)C)c1,GKXQUTNADQORIJ-UHFFFAOYSA-N
-rxn:5:190309:227562:225453,COc1ccc(F)c(-c2ccc(-c3cccc(SC4CCCCC4)c3)c(CCN3CCCCC3C)c2)c1OC,YDHPNZULDVWLCW-UHFFFAOYSA-N
-rxn:5:190335:225815:225936,COc1c(-c2ccc(C3CC3)cc2C(F)(F)F)cc(C(=O)N2CCCCC2C)cc1-c1cc(C(F)(F)F)cnc1C(C)C,HQDFPCSBJDTFKJ-UHFFFAOYSA-N
-rxn:5:190336:227052:227831,CCc1c(C)cc(-c2cc(C(=O)N3CCCC(C)C3)cc(-c3ccc(SC(C)(C)C)cc3)c2OC)cc1C,ZZTKAFDTVOVPPG-UHFFFAOYSA-N
-rxn:5:190404:226131:227785,O=C(c1ccc(-c2ccccc2CN2CCCC2)o1)N1CCSC(c2ccccc2-c2ccc(F)nc2C(F)(F)F)CC1,HRXJUFNNOXLZNK-UHFFFAOYSA-N
-rxn:5:190459:223286:226059,CC(C)c1ccc(-c2ccccc2C2CCN(C(=O)c3ccccc3-c3cccc(NS(C)(=O)=O)c3)CCS2)c(C(C)C)c1,JFYTVQUTVPTKKR-UHFFFAOYSA-N
-rxn:5:190484:225679:226446,Cc1nc(C2CCOC2)ccc1-c1ccccc1C1CCN(C(=O)c2cccc(-c3ccc(N4CCCCC4)cc3F)c2)CCS1(=O)=O,VPWZBJLUONQHDI-UHFFFAOYSA-N
-rxn:5:190484:225943:223311,O=C(c1cccc(-c2ccc(C(=O)N3CCOCC3)s2)c1)N1CCC(c2ccccc2-c2cccc(C3CNC3)c2)S(=O)(=O)CC1,GSYIPMGBHKNRKA-UHFFFAOYSA-N
-rxn:5:190484:226064:227353,COc1cc(C)c(-c2ccccc2C2CCN(C(=O)c3cccc(-c4ccc(C5CCCCC5)cc4)c3)CCS2(=O)=O)c(OC)c1,MIDNTEFXTMTWLT-UHFFFAOYSA-N
-rxn:5:190484:226446:227354,Cc1nc(C2CCOC2)ccc1-c1cccc(C(=O)N2CCC(c3ccccc3-c3ccc(F)c(OC(C)C)c3)S(=O)(=O)CC2)c1,GSDBJCSHACSSHI-UHFFFAOYSA-N
-rxn:5:190484:227045:227094,CC(C)(C)Sc1cccc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4cnccc4C4CCCC4)S(=O)(=O)CC3)c2)c1,HYYUWNYQEJGQRN-UHFFFAOYSA-N
-rxn:5:190484:227907:227038,CCC(C)c1cncc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4cc(C(C)C)ccc4OC)S(=O)(=O)CC3)c2)c1,OZKPMIMKVBABSV-UHFFFAOYSA-N
-rxn:5:190484:228591:227119,CC(C)c1cnccc1-c1cccc(C(=O)N2CCC(c3ccccc3-c3cc(C4CCCCC4)cs3)S(=O)(=O)CC2)c1,OSAACDUNMZTIFO-UHFFFAOYSA-N
-rxn:5:190484:228800:226068,CSc1ccc(F)cc1-c1cccc(C(=O)N2CCC(c3ccccc3-c3c(C)cc(C(C)(C)C)cc3C)S(=O)(=O)CC2)c1,YPJDLCZMPRBXJI-UHFFFAOYSA-N
-rxn:5:190596:223058:225805,CCOC(=O)c1cc2cc(-c3ccc(C(C)N4CCOCC4)s3)cc(-c3cc(F)nc(C4CCCNC4)c3)c2[nH]1,IAZJEHMMGYKDQU-UHFFFAOYSA-N
-rxn:5:190645:223062:225607,CCOC(=O)c1cnc2ccc(-c3cnc(C4CCNCC4)cc3F)cc2c1-c1ccc(C(C)N2CCCCC2)s1,QAEYRMXUELFCPX-UHFFFAOYSA-N
-rxn:5:190646:223064:225607,CCOC(=O)c1cnc2c(-c3ccc(C4CCNCC4)nc3F)cccc2c1-c1ccc(C(C)N2CCCCC2)s1,RANCHAZFZUROKE-UHFFFAOYSA-N
-rxn:5:190646:225805:223058,CCOC(=O)c1cnc2c(-c3ccc(C(C)N4CCOCC4)s3)cccc2c1-c1cc(F)nc(C2CCCNC2)c1,FOBBPDVVIHRZMF-UHFFFAOYSA-N
-rxn:5:190648:225607:223058,CCOC(=O)c1c(-c2ccc(C(C)N3CCCCC3)s2)nc2ccccc2c1-c1cc(F)nc(C2CCCNC2)c1,HBSNFPHKHOAJIF-UHFFFAOYSA-N
-rxn:5:190648:225607:225672,CCOC(=O)c1c(-c2ccc(C(C)N3CCCCC3)s2)nc2ccccc2c1-c1cc(F)nc(C2CCCCC2)c1,YMKUMTZKWNYBGA-UHFFFAOYSA-N
-rxn:5:190648:225805:223058,CCOC(=O)c1c(-c2ccc(C(C)N3CCOCC3)s2)nc2ccccc2c1-c1cc(F)nc(C2CCCNC2)c1,UGLAGKRGBCRFLW-UHFFFAOYSA-N
-rxn:5:190649:223054:225633,CCOC(=O)c1cnc2cc(-c3ccc(C(C)N4CCC(O)C4)s3)ccc2c1-c1ccc(N2CCCCCC2)nc1,VKXOOYKWZKIXME-UHFFFAOYSA-N
-rxn:5:190649:223061:225805,CCOC(=O)c1cnc2cc(-c3cc(C4CCNCC4)ncc3F)ccc2c1-c1ccc(C(C)N2CCOCC2)s1,XNTQRBUMVXFYQJ-UHFFFAOYSA-N
-rxn:5:190649:223062:225805,CCOC(=O)c1cnc2cc(-c3cnc(C4CCNCC4)cc3F)ccc2c1-c1ccc(C(C)N2CCOCC2)s1,AQZGGEUKSQUAJG-UHFFFAOYSA-N
-rxn:5:190651:222998:225607,CCOC(=O)c1cc(-c2cc(F)cc(C3CCCNC3)c2)c2nccc(-c3ccc(C(C)N4CCCCC4)s3)c2c1,OBHRUGXIHBMGBB-UHFFFAOYSA-N
-rxn:5:190651:225833:225805,CCOC(=O)c1cc(-c2ccnc(N3CCCCC3)c2F)c2nccc(-c3ccc(C(C)N4CCOCC4)s3)c2c1,NFDUNWYMZIPMOE-UHFFFAOYSA-N
-rxn:5:190680:225453:225453,CC(=O)Oc1cn(C(C)=O)c2ccc(-c3cccc(SC4CCCCC4)c3)c(-c3cccc(SC4CCCCC4)c3)c12,GXTVGUCJIOKSED-UHFFFAOYSA-N
-rxn:5:190740:223063:225633,CCOC(=O)c1cnc2c(C)cc(-c3cc(F)nc(C4CCNCC4)c3)cc2c1-c1ccc(N2CCCCCC2)nc1,RTUNPEBTTKBBHZ-UHFFFAOYSA-N
-rxn:5:190740:225607:223006,CCOC(=O)c1cnc2c(C)cc(-c3ccc(C(C)N4CCCCC4)s3)cc2c1-c1ccc(F)c(C2CCNCC2)c1,AUHFEXLBQFGGRW-UHFFFAOYSA-N
-rxn:5:190740:225671:225464,CCOC(=O)c1cnc2c(C)cc(-c3cc(C4CCCCC4)ncc3F)cc2c1-c1cccc(N2CCCC(C)C2)c1,BLMMPLWGDYSHCS-UHFFFAOYSA-N
-rxn:5:190740:225674:225464,CCOC(=O)c1cnc2c(C)cc(-c3cnc(C4CCCCC4)cc3F)cc2c1-c1cccc(N2CCCC(C)C2)c1,VQXGQVSVVITFDK-UHFFFAOYSA-N
-rxn:5:190740:225674:225469,CCOC(=O)c1cnc2c(C)cc(-c3cnc(C4CCCCC4)cc3F)cc2c1-c1ccc(N2CCCC(C)C2)cc1,DHFVXOIICOSTFS-UHFFFAOYSA-N
-rxn:5:190740:225976:225980,CCOC(=O)c1cnc2c(C)cc(-c3ccnc(N4CCOCC4)c3F)cc2c1-c1cc(N2CCOCC2)ncc1F,GJHKKIGCRMOQFV-UHFFFAOYSA-N
-rxn:5:190740:225980:225978,CCOC(=O)c1cnc2c(C)cc(-c3cc(N4CCOCC4)ncc3F)cc2c1-c1ccc(N2CCOCC2)nc1F,YOFIDMUZYVTBOE-UHFFFAOYSA-N
-rxn:5:190741:223064:223004,CCOC(=O)c1cnc2c(-c3ccc(C4CCNCC4)nc3F)cc(C)cc2c1-c1ccc(C2CCNCC2)c(F)c1,IWJJZHQYTJHDNW-UHFFFAOYSA-N
-rxn:5:190741:223064:225641,CCOC(=O)c1cnc2c(-c3ccc(C4CCNCC4)nc3F)cc(C)cc2c1-c1ccnc(N2CCCC(C)C2)c1,RIYHLVHGSUGLBC-UHFFFAOYSA-N
-rxn:5:190741:225677:225514,CCOC(=O)c1cnc2c(-c3ccc(C4CCCCC4)nc3F)cc(C)cc2c1-c1cccc2c1OCC1(CC1)CO2,ZTCDGMIHLZNGTL-UHFFFAOYSA-N
-rxn:5:190741:225849:223061,CCOC(=O)c1cnc2c(-c3cnc(N4CCCCC4)cc3F)cc(C)cc2c1-c1cc(C2CCNCC2)ncc1F,JULNYJTVYWBPAC-UHFFFAOYSA-N
-rxn:5:190741:225980:225834,CCOC(=O)c1cnc2c(-c3cc(N4CCOCC4)ncc3F)cc(C)cc2c1-c1cc(N2CCCCC2)ncc1F,MQEOWVWQHISDQW-UHFFFAOYSA-N
-rxn:5:190741:225982:223056,CCOC(=O)c1cnc2c(-c3cnc(N4CCOCC4)cc3F)cc(C)cc2c1-c1ccc(N2CCC(O)CC2)nc1,BWJKSWKUEXNYOM-UHFFFAOYSA-N
-rxn:5:190741:226583:223056,CCOC(=O)c1cnc2c(-c3ccc(CN4CCOCC4)s3)cc(C)cc2c1-c1ccc(N2CCC(O)CC2)nc1,FRCSGDJDTPQZIA-UHFFFAOYSA-N
-rxn:5:190742:223061:225982,CCOC(=O)c1cnc2c(C)ccc(-c3cc(C4CCNCC4)ncc3F)c2c1-c1cnc(N2CCOCC2)cc1F,UMOBDFUCRHFZBT-UHFFFAOYSA-N
-rxn:5:190742:225674:225470,CCOC(=O)c1cnc2c(C)ccc(-c3cnc(C4CCCCC4)cc3F)c2c1-c1ccc(N2CCC(C)CC2)cc1,NKKZFXBOGNYICX-UHFFFAOYSA-N
-rxn:5:190742:225834:223061,CCOC(=O)c1cnc2c(C)ccc(-c3cc(N4CCCCC4)ncc3F)c2c1-c1cc(C2CCNCC2)ncc1F,YUQUMZOZEMQCEY-UHFFFAOYSA-N
-rxn:5:190742:225976:223065,CCOC(=O)c1cnc2c(C)ccc(-c3ccnc(N4CCOCC4)c3F)c2c1-c1ccc(N2CCNCC2)cc1F,OVDQLBRDWKXLLW-UHFFFAOYSA-N
-rxn:5:190743:223006:223064,CCOC(=O)c1cnc2c(C)c(-c3ccc(F)c(C4CCNCC4)c3)ccc2c1-c1ccc(C2CCNCC2)nc1F,KZFISZHSEPQCLT-UHFFFAOYSA-N
-rxn:5:190743:225674:225464,CCOC(=O)c1cnc2c(C)c(-c3cnc(C4CCCCC4)cc3F)ccc2c1-c1cccc(N2CCCC(C)C2)c1,CWACYXGUDBPZPX-UHFFFAOYSA-N
-rxn:5:190743:225674:225469,CCOC(=O)c1cnc2c(C)c(-c3cnc(C4CCCCC4)cc3F)ccc2c1-c1ccc(N2CCCC(C)C2)cc1,NHQRFEZNYXRNOP-UHFFFAOYSA-N
-rxn:5:190744:222987:223006,CCOC(=O)c1cnc2c(-c3ccc(C4CCNCC4)nc3C)c(C)ccc2c1-c1ccc(F)c(C2CCNCC2)c1,JUGTZGFHTKXHEG-UHFFFAOYSA-N
-rxn:5:190744:223002:223006,CCOC(=O)c1cnc2c(-c3ccc(C4CCNCC4)cc3F)c(C)ccc2c1-c1ccc(F)c(C2CCNCC2)c1,GERSIWAQBPVSSN-UHFFFAOYSA-N
-rxn:5:190797:225453:226150,CC(C)(C)OC(=O)n1ccc2c(-c3cccc(SC4CCCC4)c3)cc(-c3cccc(SC4CCCCC4)c3)cc21,FIGBQAAMOWRLFI-UHFFFAOYSA-N
-rxn:5:190799:226150:225453,CC(C)(C)OC(=O)n1ccc2c(-c3cccc(SC4CCCC4)c3)c(-c3cccc(SC4CCCCC4)c3)ccc21,OZUBXZWDEOWZID-UHFFFAOYSA-N
-rxn:5:190859:223183:227048,CNS(=O)(=O)c1ccc(-c2ccc3c(c2-c2ccc(C(=O)C(C)C)cc2)CCN3C(=O)OC(C)(C)C)c(C)c1,VDGBNARTZPEGJB-UHFFFAOYSA-N
-rxn:5:190859:227829:226150,CC(C)(C)OC(=O)N1CCc2c1ccc(-c1ccccc1C1CCC1)c2-c1cccc(SC2CCCC2)c1,VSZQYQPMBXJRRD-UHFFFAOYSA-N
-rxn:5:190993:227611:223140,O=C1COc2ccc(-c3ccnn3C3CCCCO3)cc2CN1CCc1ccc(-c2ccnc(C3CCCNC3)c2)cc1,RQYDUCGMKGUKKR-UHFFFAOYSA-N
-rxn:5:190998:225980:226366,COC(=O)c1cc(-c2ccnc(N3CCCCC3)c2)ccc1N1Cc2cc(-c3cc(N4CCOCC4)ncc3F)ccc2OCC1=O,WLYDEOHBZYJUFH-UHFFFAOYSA-N
-rxn:5:190998:226366:226679,COC(=O)c1cc(-c2cnc(N3CCCC3)cc2F)ccc1N1Cc2cc(-c3ccnc(N4CCCCC4)c3)ccc2OCC1=O,KTUOYGSLDMNBHH-UHFFFAOYSA-N
-rxn:5:191026:226069:228582,COC(=O)C1=CN(c2ccc(C)c(-c3cnccc3C(C)C)c2)c2cc(-c3cccc(C4CCCCC4)c3)ccc2S1(=O)=O,GWGYUSZVDRKUKZ-UHFFFAOYSA-N
-rxn:5:191026:228009:227659,COC(=O)C1=CN(c2ccc(C)c(-c3cccc(C(F)(F)F)c3C)c2)c2cc(-c3ccc(C4CC4)c(F)c3)ccc2S1(=O)=O,DUOJQTKQYVCGQV-UHFFFAOYSA-N
-rxn:5:191026:228686:225451,CCOc1cc(-c2ccc3c(c2)N(c2ccc(C)c(-c4ccc(SC5CCCCC5)cc4)c2)C=C(C(=O)OC)S3(=O)=O)ccn1,LQWIHOPLFSGDGD-UHFFFAOYSA-N
-rxn:5:191049:227977:226189,COc1cc(C)c(-c2ccc3c(c2)CN(c2cc(OC)c(-c4ccc(C5CCCC5)c(F)c4)cc2OC)C(=O)CO3)cc1C,MTMDNMVXZLFDCU-UHFFFAOYSA-N
-rxn:5:192075:225943:225976,COC(=O)c1nc(-c2ccnc(N3CCOCC3)c2F)c(C)cc1-c1ccc(C(=O)N2CCOCC2)s1,VXTQDHDBGPNFHZ-UHFFFAOYSA-N
-rxn:5:192562:226044:225933,COc1c([N+](=O)[O-])cc(F)c(F)c1-c1ccc(C2(C#N)CCC2)cc1-c1cc(C2CC2)nc(C(F)(F)F)c1,BIULMFFWVFXKAW-UHFFFAOYSA-N
-rxn:5:192572:225456:223010,CN1CCC(c2ccc(-c3ccc(C(=O)N4CCC4)c(-c4ccc(C5(O)CCOCC5)cc4)c3)cc2)CC1,WTUUJPMTIDTDKE-UHFFFAOYSA-N
-rxn:5:193050:226180:226571,Cc1cc(-c2ccc(-c3cnn(CC4CCOCC4)c3)c(C(=O)N3CCCC3)c2)cc(C2CCCC2)n1,MIUOEXGKRPWUJT-UHFFFAOYSA-N
-rxn:5:193152:225466:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(CN2CCCC2)cc1-c1ccc(N2CCCCC2C)cc1,WJCOOKQJTFCVCE-UHFFFAOYSA-N
-rxn:5:193155:225453:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(-c2cccc(SC3CCCCC3)c2)cc1CN1CCCC1,QNQZVTJCYUXZPE-UHFFFAOYSA-N
-rxn:5:193158:222990:226686,Cc1cnn(C2CCCCO2)c1-c1c(CN2CCCC2)cccc1-c1ccc(N2CCC(O)CC2)cc1,WATSHTFFLRLLFV-UHFFFAOYSA-N
-rxn:5:193225:223218:225613,Cc1c(-c2ccc(-c3ccnc(OC4CCCCC4)c3)c(C(=O)N3CCOCC3)c2)ccc2c1NCCO2,MPEGYIUNAXIQLK-UHFFFAOYSA-N
-rxn:5:193226:223000:225934,O=C(c1ccc(-c2ccc(C3CCCNC3)c(F)c2)c(-c2cnc(C(F)(F)F)c(C3CC3)c2)c1)N1CCOCC1,NPJVVRYZUBMNTM-UHFFFAOYSA-N
-rxn:5:193227:223006:223006,O=C(c1cc(-c2ccc(F)c(C3CCNCC3)c2)cc(-c2ccc(F)c(C3CCNCC3)c2)c1)N1CCOCC1,XFAQOKMREYSSQO-UHFFFAOYSA-N
-rxn:5:193229:225803:223006,O=C(c1cccc(-c2ccnc(OC3CCOCC3)c2)c1-c1ccc(F)c(C2CCNCC2)c1)N1CCOCC1,SKHANTNXIXHXQN-UHFFFAOYSA-N
-rxn:5:193230:225987:227722,O=C(c1ccc(-c2ccc(N3CCCS3(=O)=O)cc2)cc1-c1cccc(SC(F)(F)F)c1)N1CCOCC1,SQEGTAIECOHIBJ-UHFFFAOYSA-N
-rxn:5:193331:226583:227803,CN(C)S(=O)(=O)n1nccc1-c1cc(-c2ccc(CN3CCOCC3)s2)ccc1CN1CCOCC1,OBBQXWULHOYZTH-UHFFFAOYSA-N
-rxn:5:193337:227426:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2ccc(C3CCCO3)nc2)cc1CN1CCOCC1,LCKYQDWKEIUXMQ-UHFFFAOYSA-N
-rxn:5:193382:222959:226662,Cc1cc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3ccc(N4CCN(C)CC4)s3)c2)ccc1C1CCNCC1,RXRAWYGPCNADHN-UHFFFAOYSA-N
-rxn:5:193382:223001:222998,O=S(=O)(c1ccc(-c2cc(C3CCCNC3)ccc2F)cc1-c1cc(F)cc(C2CCCNC2)c1)N1CCOCC1,XBKVKTGABUAONN-UHFFFAOYSA-N
-rxn:5:193382:223001:226415,O=S(=O)(c1ccc(-c2cc(C3CCCNC3)ccc2F)cc1-c1ccccc1N1CCOCC1)N1CCOCC1,PZFRRKOEIBZHID-UHFFFAOYSA-N
-rxn:5:193382:223002:223137,O=S(=O)(c1ccc(-c2ccc(C3CCNCC3)cc2F)cc1-c1cncc(C2CCCNC2)c1)N1CCOCC1,LYBQHOLOGSZIOK-UHFFFAOYSA-N
-rxn:5:193382:223004:223008,O=S(=O)(c1ccc(-c2ccc(C3CCNCC3)c(F)c2)cc1-c1cc(C2CCNCC2)ccc1F)N1CCOCC1,RWANSSFNUVKVIK-UHFFFAOYSA-N
-rxn:5:193382:223054:226662,CC(c1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3ccc(N4CCN(C)CC4)s3)c2)s1)N1CCC(O)C1,FOUIYKUJNGQTOD-UHFFFAOYSA-N
-rxn:5:193382:223135:223242,O=S(=O)(c1ccc(-c2cccnc2C2CCCNC2)cc1-c1ccnc(C2CCNC2)c1)N1CCOCC1,WINWVWILOFQATD-UHFFFAOYSA-N
-rxn:5:193382:223140:223136,O=S(=O)(c1ccc(-c2ccnc(C3CCCNC3)c2)cc1-c1ccncc1C1CCCNC1)N1CCOCC1,LLGSZFIWAFBWQA-UHFFFAOYSA-N
-rxn:5:193382:223140:225874,O=S(=O)(c1ccc(-c2ccnc(C3CCCNC3)c2)cc1-c1ccc(F)c(N2CCOCC2)c1)N1CCOCC1,KJUJDHJFCIXSOT-UHFFFAOYSA-N
-rxn:5:193382:223201:226661,CN1CCN(c2csc(-c3cc(-c4ccccc4C4CCNC4)ccc3S(=O)(=O)N3CCOCC3)c2)CC1,NLABHXCBOOSXGM-UHFFFAOYSA-N
-rxn:5:193382:225683:222985,Cc1nc(C2CCCOC2)ccc1-c1ccc(S(=O)(=O)N2CCOCC2)c(-c2ccc(C3CCCNC3)nc2C)c1,RBNFIBXTYQYWEB-UHFFFAOYSA-N
-rxn:5:193382:225874:227660,Cc1ccc(C(F)(F)F)cc1-c1cc(-c2ccc(F)c(N3CCOCC3)c2)ccc1S(=O)(=O)N1CCOCC1,AXIIBMJXUWKFOQ-UHFFFAOYSA-N
-rxn:5:193382:225881:223140,O=S(=O)(c1ccc(-c2ccc(C3CCOCC3)nc2F)cc1-c1ccnc(C2CCCNC2)c1)N1CCOCC1,WKYYKBCUHJIHIF-UHFFFAOYSA-N
-rxn:5:193382:226366:223200,O=S(=O)(c1ccc(-c2ccnc(N3CCCCC3)c2)cc1-c1ccc(C2CCNC2)cc1)N1CCOCC1,BNFCALSFAPJTEL-UHFFFAOYSA-N
-rxn:5:193382:226643:227437,O=S(=O)(c1ccc(-c2ccc(N3CCOCC3)nc2)cc1-c1ccnc(C2CCCO2)c1)N1CCOCC1,KNVRGSDQPAOSQC-UHFFFAOYSA-N
-rxn:5:193382:226649:225881,O=S(=O)(c1ccc(-c2cccnc2N2CCOCC2)cc1-c1ccc(C2CCOCC2)nc1F)N1CCOCC1,FVOZJSKILAGZLF-UHFFFAOYSA-N
-rxn:5:193382:227438:225980,O=S(=O)(c1ccc(-c2ccnc(C3CCOC3)c2)cc1-c1cc(N2CCOCC2)ncc1F)N1CCOCC1,NPYHSDSJDYINHQ-UHFFFAOYSA-N
-rxn:5:193459:225583:225821,O=C(c1cc(-c2cccc(C(=O)N3CCCC3)c2)cc(-c2ccc(C3CC3)c(C(F)(F)F)c2)c1)N1CCCCC1,XDFUBIFIJXPSGZ-UHFFFAOYSA-N
-rxn:5:193460:227029:225451,CC(C)(C#N)c1ccccc1-c1cccc(C(=O)N2CCCCC2)c1-c1ccc(SC2CCCCC2)cc1,SXJLZXQAUSUTMM-UHFFFAOYSA-N
-rxn:5:193461:225440:227045,CC(C)(C)Sc1cccc(-c2cc(-c3ccc(C4(C#N)CCCC4)cc3)ccc2C(=O)N2CCCCC2)c1,OYPCVYREEQFUMF-UHFFFAOYSA-N
-rxn:5:193461:226026:227065,CC(C)C(=O)c1cccc(-c2cc(-c3ccc(S(=O)(=O)N(C)C)c(F)c3)ccc2C(=O)N2CCCCC2)c1,VSTZOBMYTZSDFC-UHFFFAOYSA-N
-rxn:5:193462:227199:225666,CN1C(=O)Cc2ccc(-c3ccc(-c4cc(F)cc(N5CCCCC5)c4)c(CN4CCC(=O)CC4)c3)cc21,QQUHCSLDHHNKMM-UHFFFAOYSA-N
-rxn:5:193464:227045:225498,CC(C)(C)Sc1cccc(-c2ccc(C3(C#N)CCCCC3)c(-c3cc(C4CCCCC4)ccc3F)c2)c1,APKFOINAZJLYOH-UHFFFAOYSA-N
-rxn:5:193464:227349:225394,COc1cc(C)cc(-c2ccc(C3(C#N)CCCCC3)c(-c3cc(C4CCC4)cc(C4CC4)c3)c2)c1OC,PTRJSGRHRJHFPW-UHFFFAOYSA-N
-rxn:5:193506:223054:226645,CC(c1ccc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3ccnc(N4CCOCC4)c3)c2)s1)N1CCC(O)C1,QLCGBXSORFREGJ-UHFFFAOYSA-N
-rxn:5:193506:223286:227656,CS(=O)(=O)Nc1cccc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3cc(N4CCOCC4)cs3)c2)c1,SLUNJNBEJPJJLJ-UHFFFAOYSA-N
-rxn:5:193506:223295:225805,CC(c1ccc(-c2cc(-c3cncc(NS(C)(=O)=O)c3)ccc2S(=O)(=O)N2CCC(=O)CC2)s1)N1CCOCC1,VHWCBJYWTGAPBZ-UHFFFAOYSA-N
-rxn:5:193506:223295:225831,Cc1cc(-c2cc(-c3cncc(NS(C)(=O)=O)c3)ccc2S(=O)(=O)N2CCC(=O)CC2)cnc1N1CCOCC1,QKAKNAIPSSSVBC-UHFFFAOYSA-N
-rxn:5:193506:226649:223285,CS(=O)(=O)Nc1ccccc1-c1cc(-c2cccnc2N2CCOCC2)ccc1S(=O)(=O)N1CCC(=O)CC1,QQJGALNOLLATBF-UHFFFAOYSA-N
-rxn:5:193506:226661:223312,CN1CCN(c2csc(-c3ccc(S(=O)(=O)N4CCC(=O)CC4)c(-c4ccc(C5CNC5)cc4)c3)c2)CC1,BEMWZAZDUBFQLU-UHFFFAOYSA-N
-rxn:5:193506:227507:223140,O=C1CCN(S(=O)(=O)c2ccc(-c3cccc(C=C[N+](=O)[O-])c3)cc2-c2ccnc(C3CCCNC3)c2)CC1,ALODBSIMQJYWAP-UHFFFAOYSA-N
-rxn:5:193506:228115:225946,CC(=O)c1cc(-c2cc(-c3ccc(OC(C)C)nc3)ccc2S(=O)(=O)N2CCC(=O)CC2)cc(C(F)(F)F)c1,KLCXQMINSBYCDC-UHFFFAOYSA-N
-rxn:5:193506:228692:223138,CN(C)Cc1ccc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3ccnc(C4CCNCC4)c3)c2)s1,LEVMWUYLZWBWQE-UHFFFAOYSA-N
-rxn:5:193539:226686:227390,Cc1cnn(C2CCCCO2)c1-c1ccc(CN2CCCCC2)cc1-c1ccnn1C1CCCCC1,IABMUFVZUFQZEY-UHFFFAOYSA-N
-rxn:5:193541:226597:226052,CC(C)Oc1c(F)cc(-c2cc(CN3CCCCC3)cc(-c3c(F)ccc(OC(F)(F)F)c3F)c2)cc1F,DUKRDKBRACDJDG-UHFFFAOYSA-N
-rxn:5:193749:223141:226187,CC1CCCCN1C(=O)c1cc(-c2cncc(C3CCNCC3)c2)ccc1-c1cccc(C2CCOCC2)c1,BMAIODJGQJGICE-UHFFFAOYSA-N
-rxn:5:193754:225453:225886,CC1CCN(C(=O)c2cccc(-c3cccc(SC4CCCCC4)c3)c2-c2ccc3c(ccn3S(C)(=O)=O)c2)CC1,BRWLXHDYIZVXPT-UHFFFAOYSA-N
-rxn:5:193754:227048:223183,CNS(=O)(=O)c1ccc(-c2c(C(=O)N3CCC(C)CC3)cccc2-c2ccc(C(=O)C(C)C)cc2)c(C)c1,FXRDPYWTAZVNGO-UHFFFAOYSA-N
-rxn:5:193755:226190:223285,CC1CCCN(C(=O)c2cccc(-c3ccc(C4CCCC4)cc3F)c2-c2ccccc2NS(C)(=O)=O)C1,UJPRPEVPCOLUOJ-UHFFFAOYSA-N
-rxn:5:193756:222981:226664,CC1CCCCN1C(=O)c1ccc(-c2ccnc(NC3CCCCC3)c2)cc1-c1cc(N2CCCC2)ncc1F,DYZIAZSRIARPGC-UHFFFAOYSA-N
-rxn:5:193756:223136:227025,CCc1ncc(C2CC2)cc1-c1cc(-c2ccncc2C2CCCNC2)ccc1C(=O)N1CCCCC1C,DRKRJOUZYLHCPS-UHFFFAOYSA-N
-rxn:5:193756:225600:227025,CCc1ncc(C2CC2)cc1-c1cc(-c2cccnc2OC2CCCCC2)ccc1C(=O)N1CCCCC1C,CRQXICKHHRWNQX-UHFFFAOYSA-N
-rxn:5:193756:225636:227512,COC(=O)c1cc(-c2cc(-c3ccnc(N4CCC(C)CC4)c3)ccc2C(=O)N2CCCCC2C)c(C)cn1,LWHRFOUHXVYJEE-UHFFFAOYSA-N
-rxn:5:193756:226176:225652,CC1CCCN(c2cncc(-c3cc(-c4ccncc4C4CCCCC4)ccc3C(=O)N3CCCCC3C)c2)C1,IXHQYKXJDCPRRE-UHFFFAOYSA-N
-rxn:5:193756:226768:223284,CSc1ccc(-c2ccc(C(=O)N3CCCCC3C)c(-c3ccc(NS(C)(=O)=O)cc3)c2)cc1C(F)(F)F,REGNNUSTMWZTOO-UHFFFAOYSA-N
-rxn:5:193756:226912:223189,Cc1cc(CC(C)C)cc(-c2ccc(C(=O)N3CCCCC3C)c(-c3ccc(NS(C)(=O)=O)cc3F)c2)c1,GUOCYNXILGKITD-UHFFFAOYSA-N
-rxn:5:193756:227377:225808,CC1CCCCN1C(=O)c1ccc(-c2cncnc2C2CCCC2)cc1-c1cc(OC2CCCC2)ncc1F,MINWNVWYWUYCPM-UHFFFAOYSA-N
-rxn:5:193756:227512:225808,COC(=O)c1cc(-c2ccc(C(=O)N3CCCCC3C)c(-c3cc(OC4CCCC4)ncc3F)c2)c(C)cn1,CBNIDQCRQSROKW-UHFFFAOYSA-N
-rxn:5:193807:226686:227437,Cc1cnn(C2CCCCO2)c1-c1c(CN2CCC(C)CC2)cccc1-c1ccnc(C2CCCO2)c1,FRSPYJYXMGRLAV-UHFFFAOYSA-N
-rxn:5:193809:226686:226067,Cc1cnn(C2CCCCO2)c1-c1ccc(CN2CCC(C)CC2)c(-c2ccc(C3=CCCCC3)cc2)c1,GPSKJEGFLYTQTH-UHFFFAOYSA-N
-rxn:5:193866:225886:226449,CC1(c2ccccc2-c2cc(C3(N4CCC(=O)CC4)CC3)ccc2-c2ccc3c(ccn3S(C)(=O)=O)c2)OCCO1,XKXFKHKJNFEYFU-UHFFFAOYSA-N
-rxn:5:193866:228624:225437,CSc1cc(-c2ccc(C3(N4CCC(=O)CC4)CC3)cc2-c2cccc(CN3CCCCC3)c2)ccc1C,FVFZPHJVKBENGC-UHFFFAOYSA-N
-rxn:5:193867:226334:225886,Cc1cc(C(=O)N(C)C)cc(-c2cc(-c3ccc4c(ccn4S(C)(=O)=O)c3)cc(C3(N4CCC(=O)CC4)CC3)c2)c1,GHYMDTDSDFXIKU-UHFFFAOYSA-N
-rxn:5:193868:226058:223285,CC1CN(C(=O)c2cc(-c3c(C(C)C)cccc3C(C)C)ccc2-c2ccccc2NS(C)(=O)=O)CC(C)O1,PVDYXHOEEGQKHJ-UHFFFAOYSA-N
-rxn:5:193869:226059:226971,Cc1cc(-c2ccc(C(C)C)cc2C(C)C)c(S(=O)(=O)N2CCCCC2)cc1-c1ccc2c(c1)CCCOC2,NPXKBUHNSHOWGA-UHFFFAOYSA-N
-rxn:5:193870:223146:227656,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cc(N3CCOCC3)cs2)cc1-c1cccc(C2CNCCO2)c1,DOAFQUBIDFWPBI-UHFFFAOYSA-N
-rxn:5:193872:223144:227289,CC(C)(C)Oc1ncccc1-c1cc(C(=O)N2CCC3(CC2)CC3)ccc1-c1ccc(N2CCC(O)C2)cc1,ZFGBJEWCMOGASE-UHFFFAOYSA-N
-rxn:5:193872:227683:228346,COC(=O)c1cc(-c2cc(C(=O)N3CCC4(CC3)CC4)ccc2-c2ccc(C#N)cc2[N+](=O)[O-])c(C)s1,IXJRCACTNXWQKU-UHFFFAOYSA-N
-rxn:5:193932:225886:226189,CC1CC(C)CN(C(=O)c2ccc(-c3ccc(C4CCCC4)c(F)c3)c(-c3ccc4c(ccn4S(C)(=O)=O)c3)c2)C1,PMDYNTJFWOTMET-UHFFFAOYSA-N
-rxn:5:193932:226058:223284,CC1CC(C)CN(C(=O)c2ccc(-c3ccc(NS(C)(=O)=O)cc3)c(-c3c(C(C)C)cccc3C(C)C)c2)C1,XHSUMFBPPMMPPU-UHFFFAOYSA-N
-rxn:5:193967:226050:227056,COc1cccc(C2CC2)c1-c1cc(-c2c(F)cc(OC(F)(F)F)cc2F)ccc1CN1CCC2(CC1)OCCO2,AFLHJEAVTYBDEQ-UHFFFAOYSA-N
-rxn:5:193967:226466:228275,COc1c(F)cc(C)cc1-c1cc(-c2ccc3c(c2)OCC(=O)N3C)ccc1CN1CCC2(CC1)OCCO2,AYYYPPSUIMWXBP-UHFFFAOYSA-N
-rxn:5:193972:223313:227052,Cc1cc(-c2ccc(C3(O)CC3)cc2)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc(SC(C)(C)C)cc1,PMRJELNEERZCKY-UHFFFAOYSA-N
-rxn:5:193972:226146:223008,Cc1cc(-c2ccc(SC3CCCC3)cc2)c(S(=O)(=O)N2CCCCCC2)cc1-c1cc(C2CCNCC2)ccc1F,FSZFDSONGNSBHE-UHFFFAOYSA-N
-rxn:5:193972:226971:226059,Cc1cc(-c2ccc3c(c2)CCCOC3)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc(C(C)C)cc1C(C)C,QXOPZIDAUVLIQV-UHFFFAOYSA-N
-rxn:5:193972:227907:227591,CCC(C)c1cncc(-c2cc(C)c(-c3ccc(C(F)F)cc3OC)cc2S(=O)(=O)N2CCCCCC2)c1,QSTWNFRJHGMOHF-UHFFFAOYSA-N
-rxn:5:193972:228066:223188,CNc1cc(C(F)(F)F)c(-c2cc(S(=O)(=O)N3CCCCCC3)c(-c3ccc4c(c3)OCCO4)cc2C)cn1,UDBRODCYIPABQQ-UHFFFAOYSA-N
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-rxn:5:194733:225649:227125,Cc1cc(-n2ccnc2C)ccc1-c1ccc(-c2ccccc2C2CCOC2)c(C(=O)N2C3CCC2CC(=C2CC2)C3)c1,OPRRNTMRIDYNJF-UHFFFAOYSA-N
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-rxn:5:194733:228690:223359,CCOc1cncc(-c2ccc(-c3ccc(CNC)c(F)c3)c(C(=O)N3C4CCC3CC(=C3CC3)C4)c2)c1,ACGZATJBUCVZBF-UHFFFAOYSA-N
-rxn:5:194767:226679:226395,O=C1OC2(CCCN(C(=O)c3cc(-c4cnc(N5CCCC5)cc4F)ccc3-c3cncc(N4CCCCC4)c3)C2)c2ccccc21,WSOLMGOPXDHAMA-UHFFFAOYSA-N
-rxn:5:194782:225656:227446,CC1CCCCN1c1cncc(-c2ccc(-c3ccc(C4OCCO4)cc3)c(C(=O)N3CCC4(CC3)CC(=O)c3ccccc3O4)c2)c1,CFVJDCOCUMXYFJ-UHFFFAOYSA-N
-rxn:5:194782:228628:227768,CN(C)S(=O)(=O)n1cccc1-c1ccc(-c2cc(C3CCC3)cs2)cc1C(=O)N1CCC2(CC1)CC(=O)c1ccccc1O2,QXGXSMBBRMQLFH-UHFFFAOYSA-N
-rxn:5:194791:227113:228135,CCOc1cc(C)ncc1-c1ccc(C2OC3(C(=O)c4ccccc4C3=O)C3C(=O)N(c4ccccc4-c4cc(C5CC5)c(F)cc4C)C(=O)C23)cc1,FNFYHVOXRTVQQR-UHFFFAOYSA-N
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-rxn:5:196676:225407:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2ccc(C3CCCCCC3)cc2)cc(N2CCCC2)c1,ANSAHUPETLDPKR-UHFFFAOYSA-N
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-rxn:5:196791:223061:226583,O=C1COCCN1c1cccc(-c2cc(C3CCNCC3)ncc2F)c1-c1ccc(CN2CCOCC2)s1,YZRRKXBPXIHAGL-UHFFFAOYSA-N
-rxn:5:196791:225982:225976,O=C1COCCN1c1cccc(-c2cnc(N3CCOCC3)cc2F)c1-c1ccnc(N2CCOCC2)c1F,IVFNWTWORMSKCE-UHFFFAOYSA-N
-rxn:5:196858:222957:225451,Cc1cc(-c2cnc(C3CCOCC3)cc2-c2ccc(SC3CCCCC3)cc2)cc(C2CCCNC2)c1,LOBXISQJFBONEH-UHFFFAOYSA-N
-rxn:5:196858:226069:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(C2CCOCC2)ncc1-c1cccc(C2CCCCC2)c1,KNANDAPYEPOHAA-UHFFFAOYSA-N
-rxn:5:196858:226686:225784,Cc1cnn(C2CCCCO2)c1-c1cnc(C2CCOCC2)cc1-c1ccc(CN2CCOCC2)nc1,JORUEDYFAXNJRC-UHFFFAOYSA-N
-rxn:5:196859:222957:225683,Cc1cc(-c2c(C3CCOCC3)ccnc2-c2ccc(C3CCCOC3)nc2C)cc(C2CCCNC2)c1,AACKNUGXKZNQFX-UHFFFAOYSA-N
-rxn:5:196859:226686:225394,Cc1cnn(C2CCCCO2)c1-c1c(C2CCOCC2)ccnc1-c1cc(C2CCC2)cc(C2CC2)c1,ARBPQEDAXOTHAV-UHFFFAOYSA-N
-rxn:5:196869:225498:226686,Cc1cnn(C2CCCCO2)c1-c1cc(-c2cc(C3CCCCC3)ccc2F)ccc1N1CCOCC1,RWKXRWULBYAPSF-UHFFFAOYSA-N
-rxn:5:196870:225879:225584,O=C(c1ccc(-c2cc(-c3ccc(N4CCOCC4)cc3F)cc(N3CCOCC3)c2)cc1)N1CCCC1,URIUPHOPCQBKHG-UHFFFAOYSA-N
-rxn:5:196970:225832:223186,Cc1nn(C2CCCCO2)c(C)c1-c1c(C2CCCCC2)ccnc1-c1cnn(C2CCCCO2)c1,NFIPQMQQRYPDTB-UHFFFAOYSA-N
-rxn:5:196971:227449:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2ccc(C3CCOCC3)s2)ncc1C1CCCCC1,BVFRWKPVWZIXAG-UHFFFAOYSA-N
-rxn:5:196977:223147:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(N2CCCCC2)ccc1-c1ccc(C2CNCCO2)cc1,ZDZDQMYCANVLGJ-UHFFFAOYSA-N
-rxn:5:196977:226686:225462,Cc1cnn(C2CCCCO2)c1-c1ccc(N2CCCCC2)cc1-c1cccc(N2CCC(C)CC2)c1,ITISSMWROCNKBP-UHFFFAOYSA-N
-rxn:5:196979:222981:226686,Cc1cnn(C2CCCCO2)c1-c1cc(-c2ccnc(NC3CCCCC3)c2)cc(N2CCCCC2)c1,VQWUPWXNKRWKMG-UHFFFAOYSA-N
-rxn:5:197876:225448:227808,Cc1ccc(OC2CCCC2)c(-c2cc3c(cc2-c2ccc4c(c2)CCCC4)C(=O)N(C(C)(C)C)S3(=O)=O)c1,IPVATWRZZFBXNL-UHFFFAOYSA-N
-rxn:5:197876:225449:228928,CC(C)(C)N1C(=O)c2cc(-c3cccnc3C(F)F)c(-c3cccc(OC4CCCCC4)c3)cc2S1(=O)=O,ULNHOILTVZNQPU-UHFFFAOYSA-N
-rxn:5:197876:225453:228445,CC(C)(C)N1C(=O)c2cc(-c3c(F)cccc3C(F)F)c(-c3cccc(SC4CCCCC4)c3)cc2S1(=O)=O,QRBMDRDGGFJOLY-UHFFFAOYSA-N
-rxn:5:197876:225498:227102,CC(C)(C)c1ccc(F)c(-c2cc3c(cc2-c2cc(C4CCCCC4)ccc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,MZDJRSSUSGKZBC-UHFFFAOYSA-N
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-rxn:5:197876:225498:227989,CC#Cc1ccc(F)c(-c2cc3c(cc2-c2cc(C4CCCCC4)ccc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,FBUDGXHONGRTTO-UHFFFAOYSA-N
-rxn:5:197876:225677:227912,COC(C)c1ccc(-c2cc3c(cc2-c2ccc(C4CCCCC4)nc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1,QWPWDNMGLKPNEZ-UHFFFAOYSA-N
-rxn:5:197876:226062:226146,CC(C)c1cc(-c2cc3c(cc2-c2ccc(SC4CCCC4)cc2)C(=O)N(C(C)(C)C)S3(=O)=O)cc(C(C)C)c1,NTEWZHZTIIYFPW-UHFFFAOYSA-N
-rxn:5:197876:226068:227808,Cc1cc(C(C)(C)C)cc(C)c1-c1cc2c(cc1-c1ccc3c(c1)CCCC3)C(=O)N(C(C)(C)C)S2(=O)=O,LVGXEHHIYRMVSW-UHFFFAOYSA-N
-rxn:5:197876:226150:227826,CC(C)(C)c1cccc(-c2cc3c(cc2-c2cccc(SC4CCCC4)c2)S(=O)(=O)N(C(C)(C)C)C3=O)c1,MKUYXIVUGXAKJD-UHFFFAOYSA-N
-rxn:5:197876:226424:227065,CC1CCCN(c2csc(-c3cc4c(cc3-c3cccc(C(=O)C(C)C)c3)C(=O)N(C(C)(C)C)S4(=O)=O)c2)C1,GWKSQXNSNALCOW-UHFFFAOYSA-N
-rxn:5:197876:226441:227052,CC(C)(C)Sc1ccc(-c2cc3c(cc2-c2ccc(N4CCCC4)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1,PVHALBALAHRDEH-UHFFFAOYSA-N
-rxn:5:197876:226762:225436,CSc1cc(-c2cc3c(cc2-c2ccc(CN4CCCCC4)cc2)C(=O)N(C(C)(C)C)S3(=O)=O)cc(C(F)(F)F)c1,CGYJOFXFHFIWAR-UHFFFAOYSA-N
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-rxn:5:197876:227045:226412,CC(C)(C)Sc1cccc(-c2cc3c(cc2-c2cc(F)cc(N4CCCC4)c2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,HLQRKLNLZZIZIR-UHFFFAOYSA-N
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-rxn:5:197876:227091:227065,CC(C)C(=O)c1cccc(-c2cc3c(cc2-c2cncc(C4CCCC4)c2)S(=O)(=O)N(C(C)(C)C)C3=O)c1,WWRQZOPNHQPWAW-UHFFFAOYSA-N
-rxn:5:197876:227103:227926,CC(C)Sc1ccc(-c2cc3c(cc2-c2sccc2C2CCCCC2)S(=O)(=O)N(C(C)(C)C)C3=O)cc1,KFPBCSCRDGXVRK-UHFFFAOYSA-N
-rxn:5:197876:227409:227045,CC(C)(C)Sc1cccc(-c2cc3c(cc2-c2cc(C(C)(C)C)ncc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,PZNMIKKLWPQXBO-UHFFFAOYSA-N
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-rxn:5:197876:227610:228021,CC(=O)c1cc(C)cc(-c2cc3c(cc2-c2ccn(C4CCCCO4)n2)S(=O)(=O)N(C(C)(C)C)C3=O)c1,GYJPJZUHFWEBED-UHFFFAOYSA-N
-rxn:5:197876:227610:228247,CC(=O)c1ccc(F)c(-c2cc3c(cc2-c2ccn(C4CCCCO4)n2)S(=O)(=O)N(C(C)(C)C)C3=O)c1,XIRCFNSHCOIUSD-UHFFFAOYSA-N
-rxn:5:197876:227811:226069,CC(C)Cc1ccc(-c2cc3c(cc2-c2cccc(C4CCCCC4)c2)C(=O)N(C(C)(C)C)S3(=O)=O)cc1,XNSWYUILWRUMRZ-UHFFFAOYSA-N
-rxn:5:197876:227823:226174,CC(C)(C)c1ccccc1-c1cc2c(cc1-c1ccc(C3CCCCC3)nc1)C(=O)N(C(C)(C)C)S2(=O)=O,IZYPUXCEUKZPNS-UHFFFAOYSA-N
-rxn:5:197876:227906:225407,CCC(C)c1ncccc1-c1cc2c(cc1-c1ccc(C3CCCCCC3)cc1)C(=O)N(C(C)(C)C)S2(=O)=O,COZHRFGIUGHULT-UHFFFAOYSA-N
-rxn:5:197876:227912:226146,COC(C)c1ccc(-c2cc3c(cc2-c2ccc(SC4CCCC4)cc2)C(=O)N(C(C)(C)C)S3(=O)=O)cc1,PREKNVKSJSLKCR-UHFFFAOYSA-N
-rxn:5:197876:227946:226064,CC(C)(C)c1ccc(-c2cc3c(cc2-c2ccc(C4CCCCC4)cc2)C(=O)N(C(C)(C)C)S3(=O)=O)cn1,AWKOSBXZHDUGFU-UHFFFAOYSA-N
-rxn:5:197876:228019:226179,CC(=O)c1ccc(C)c(-c2cc3c(cc2-c2cncc(C4CCCCC4)c2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,ZPFDSZIERSCVPM-UHFFFAOYSA-N
-rxn:5:197876:228207:226062,CC(C)c1cc(-c2cc3c(cc2-c2cc(C4CC4)cnc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc(C(C)C)c1,BWYZZLKOPLYLHA-UHFFFAOYSA-N
-rxn:5:197876:228464:225499,CC(C)(C)N1C(=O)c2cc(-c3ccc(C4CCCCC4)cc3F)c(-c3cncc(OC(F)F)c3)cc2S1(=O)=O,CIJRQVURMZKUGR-UHFFFAOYSA-N
-rxn:5:197876:228906:225671,CC(C)(C)N1C(=O)c2cc(-c3cc(C4CCCCC4)ncc3F)c(-c3ccnc(C(F)F)c3)cc2S1(=O)=O,SHDDPVOZWLFCEI-UHFFFAOYSA-N
-rxn:5:227038:190131:227047,COc1ccc(C(C)C)cc1-c1cc(C(=O)N2CCCCC2)cc(-c2cccc(SC3CCC3)c2)c1OC,ZLPIUXSFKQMRFY-UHFFFAOYSA-N
-rxn:5:227910:178295:227591,CCC(C)c1ccc(-c2ccc(-c3ccc(C(F)F)cc3OC)cc2C2(C(=O)OC)CCC(=O)CC2)cn1,PEKLESRECGYMLO-UHFFFAOYSA-N
-rxn:5:227935:178295:225407,CCc1cc(-c2ccc(-c3ccc(C4CCCCCC4)cc3)cc2C2(C(=O)OC)CCC(=O)CC2)ccc1OC,ZTYWDWAPDNUBQH-UHFFFAOYSA-N
-rxn:5:227940:178295:226920,CCc1cc(SC)cc(-c2ccc(-c3cc(C(C)(C)C)ccc3C)cc2C2(C(=O)OC)CCC(=O)CC2)c1,QGMFKUCZZGTVFZ-UHFFFAOYSA-N
-rxn:5:227965:178295:227045,COC(=O)C1(c2cc(-c3cccc(SC(C)(C)C)c3)ccc2-c2c(C)ccnc2C(C)C)CCC(=O)CC1,FSOYLFYSPBBAKQ-UHFFFAOYSA-N
-rxn:5:227966:178295:227052,COC(=O)C1(c2cc(-c3ccc(SC(C)(C)C)cc3)ccc2-c2cccnc2C(C)(C)C)CCC(=O)CC1,MJASPMKGJJNICD-UHFFFAOYSA-N
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-rxn:4:173572:224596,COc1cc(N2CCCCC2C)ccc1-c1cc(COC(C)(C)C)cc(COC(C)(C)C)c1,GTUUGGPVYJPJTG-UHFFFAOYSA-N
-rxn:4:173636:225559,COC(=O)COc1ccc2c(c1)OC(=Cc1cc(-c3ccc(OCC4CCOC4)cc3)ccc1OC)C2=O,YEDHUZPNIXJFGF-UHFFFAOYSA-N
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-rxn:4:173802:222837,CC(C)(C)NC(=O)Cc1cccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)c1,VMMXKRBLDVPLEZ-UHFFFAOYSA-N
-rxn:4:173802:224129,CN(C(=O)c1cccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)c1)C1CCCCC1,PPVCDBFHMVMTAM-UHFFFAOYSA-N
-rxn:4:173802:224672,CCN1CCN(c2ccc(-c3ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc3)c(Cl)c2)CC1,JKWNTAKZDDXPAG-UHFFFAOYSA-N
-rxn:4:173802:224933,O=S(=O)(OC(c1ccc(-c2ccc(OCCN3CCCC3)cc2)cc1)C(F)(F)F)C(F)(F)F,BDISOIXMUJKYEU-UHFFFAOYSA-N
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-rxn:4:173905:223840,COC(=O)c1ccc(-c2ccc(OC)c(S(=O)(=O)N3CCN(C)CC3)c2)cc1COC(C)=O,GXRCWAFXWUGELB-UHFFFAOYSA-N
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-rxn:4:174131:223567,COC(=O)C(C)(C)COc1cccc(-c2cc3cc(OC(C)C)ccc3n2C(=O)OC(C)(C)C)c1,XMJZOXOSBWBTOB-UHFFFAOYSA-N
-rxn:4:174154:223974,CC1CCN(c2ccc(-c3cc(F)cc(OCC(=O)OC(C)(C)C)c3)c(C(F)(F)F)c2)CC1,WCJJHVRZJYUHMT-UHFFFAOYSA-N
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-rxn:4:174315:224359,CCOc1cc(C(=O)OC(C)(C)C)ccc1-c1cc(C(=O)N(CC)CC)cc([N+](=O)[O-])c1,DOBYEEMJYSWNTK-UHFFFAOYSA-N
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-rxn:4:174406:224100,COC(=O)C1(c2ccc(-c3ccccc3OCCN3CCC(C)CC3)cc2)CC(OC)(OC)C1,TVSJCUDGVKTEBG-UHFFFAOYSA-N
-rxn:4:174406:224498,CCN1CCN(Cc2ccccc2-c2ccc(C3(C(=O)OC)CC(OC)(OC)C3)cc2)CC1,QIQDUEZURKMDDI-UHFFFAOYSA-N
-rxn:4:174406:224890,COC(=O)C1(c2ccc(-c3cc(C4CC4)cc(N4CCCC4)c3)cc2)CC(OC)(OC)C1,UHAGBSWQAFYACE-UHFFFAOYSA-N
-rxn:4:174514:223886,CC(C)[Si](Oc1cccc(-c2cccc3c2CCN(C(=O)OC(C)(C)C)C3)c1)(C(C)C)C(C)C,DYJHPTLOZUCRLS-UHFFFAOYSA-N
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-rxn:4:174515:224267,CC(C)[Si](Oc1ccc(-c2cccc(N3CCC4(CC3)OCCO4)c2)cc1)(C(C)C)C(C)C,DHJMBMKXYOQOFV-UHFFFAOYSA-N
-rxn:4:174516:224563,Cc1ccc(-c2ccccc2O[Si](C(C)C)(C(C)C)C(C)C)c(O[Si](C)(C)C(C)(C)C)c1,BIJCHXDVPBVSME-UHFFFAOYSA-N
-rxn:4:174543:224678,COC(=O)C12CC(COc3ccc(-c4ccc(F)c(C(=O)N5CCCCC5)c4)cc3Cl)(C1)C2,CMIBFCTXUIQLKC-UHFFFAOYSA-N
-rxn:4:174593:224846,CCC1CCC(c2ccc(-c3cc4oc(C)c(C(=O)OC)c4cc3OC(=O)C(C)(C)C)cc2)CC1,GCSPYITZLATTLU-UHFFFAOYSA-N
-rxn:4:174656:223887,Cc1c(-c2cccc3cccc(C#C[Si](C(C)C)(C(C)C)C(C)C)c23)n(C(=O)OC(C)(C)C)c2ccccc12,KLXRZTIAMVFVKH-UHFFFAOYSA-N
-rxn:4:174656:224563,Cc1ccc(-c2cccc3cccc(C#C[Si](C(C)C)(C(C)C)C(C)C)c23)c(O[Si](C)(C)C(C)(C)C)c1,VXCOFQVMICGBDM-UHFFFAOYSA-N
-rxn:4:174656:225899,Cc1cc(-c2cccc3cccc(C#C[Si](C(C)C)(C(C)C)C(C)C)c23)n(C(=O)OC(C)(C)C)n1,YIPIWHLYFNDUMP-UHFFFAOYSA-N
-rxn:4:174732:223593,COC(=O)c1ccc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c(Cl)c2)c(OC(F)(F)F)c1,UCYXIBMLRIZMAV-UHFFFAOYSA-N
-rxn:4:174908:223830,CCOC(=O)C(F)(F)c1ccc(-c2ccc(C)c(S(=O)(=O)N3CCN(CC)CC3)c2)cc1Cl,ZXYZURKDDFVUSK-UHFFFAOYSA-N
-rxn:4:175402:223635,COc1cc(COC(C)C)ccc1-c1ccc(C2CCN(C(=O)OC(C)(C)C)CC2)cc1,WKNOAHFJJZNZJE-UHFFFAOYSA-N
-rxn:4:175700:222539,CC(C)(C)COS(=O)(=O)c1ccc(-c2ccc3c(c2)CC(NC(=O)OC(C)(C)C)C3)cc1,MTBPOUNNEMNSBK-UHFFFAOYSA-N
-rxn:4:175808:222718,C#Cc1cccc(OCC2CCOCC2)c1-c1cc(S(=O)(=O)N2CCNCC2)ccc1C,ZYABUCYXMDESSB-UHFFFAOYSA-N
-rxn:4:175813:222622,CCC(C)c1cc(-c2cc(C(C)=O)ccc2C(=O)OC(C)(C)C)cc(C2CCCNC2)n1,VHEVYCAPJJRDRZ-UHFFFAOYSA-N
-rxn:4:175816:222585,COC(=O)c1cc(OC2CCCC2)cc(-c2ccccc2C(=O)NCCN2CCOCC2)c1,LBWTVKFMWMUELI-UHFFFAOYSA-N
-rxn:4:176018:224592,COc1cc(-c2cc(C3(C#N)CCCCC3)ccc2F)c(F)cc1OCC1CCCCC1,ZEBTYYVOKKNCCL-UHFFFAOYSA-N
-rxn:4:176128:224363,CCN(CC)S(=O)(=O)c1cc(OC)cc(-c2ccc(OC)c(O[Si](C)(C)C(C)(C)C)c2)c1,BAOWDGLIRSUZHT-UHFFFAOYSA-N
-rxn:4:176130:224566,COC(=O)C1(c2ccc(-c3ccc(C4(O[Si](C)(C)C(C)(C)C)CC4)o3)cc2)CCCC1,WPPOZUBIRUFHCX-UHFFFAOYSA-N
-rxn:4:176447:223940,CC(C)(C)OC(=O)N1CCOc2cc(-c3cc(OC(F)(F)F)cc(C(F)(F)F)c3)ccc21,HYUWRHRISUVKCM-UHFFFAOYSA-N
-rxn:4:176451:223788,CC(C)(C)OC(=O)N1CC(Oc2ccc(-c3cc(OS(=O)(=O)C(F)(F)F)c(Cl)cc3F)cc2)C1,LFSWDTYXSPRYOQ-UHFFFAOYSA-N
-rxn:4:176919:223646,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3ccc(F)c(F)c3COS(C)(=O)=O)cc2)C1,LSFFLUIOUMQEBY-UHFFFAOYSA-N
-rxn:4:177489:223846,COC(=O)C1OC1(C)c1ccc(F)c(-c2cc(C)cc(C3CC4CCC3(C)C4(C)C)c2)c1,VYJZXZVTUBKARQ-UHFFFAOYSA-N
-rxn:4:178382:224132,CN(C(=O)c1ccccc1-c1cc(C(C)(C)C)c(C(C)(C)C)c(C(C)(C)C)c1)C1CCCCC1,JBUTXVQNBBTZKI-UHFFFAOYSA-N
-rxn:4:178384:227954,c1cc(C2CCC2)ncc1-c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1,TUEWLGDLYKWXGX-UHFFFAOYSA-N
-rxn:4:178384:228166,CCOc1cc(Cl)cc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c1,SXUCLEGSJYRTKB-UHFFFAOYSA-N
-rxn:4:178384:228946,Fc1cc(F)c(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)cc1F,OTMKZROROLJAJY-UHFFFAOYSA-N
-rxn:4:178384:228959,Fc1ccc(F)c(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c1Cl,NEPUPQSFTNRRHY-UHFFFAOYSA-N
-rxn:4:178384:229083,CC(C)c1ncc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)o1,IWGOVBUSNSWGBQ-UHFFFAOYSA-N
-rxn:4:178463:223835,CCOC(=O)C1Cc2c(cccc2-c2cc(S(=O)(=O)N3CCC(C)CC3)c(C)cc2F)C1=O,VGNFLWWPCDJZAR-UHFFFAOYSA-N
-rxn:4:178597:226444,Cc1nc(C2CCCO2)ccc1-c1ccc(OC(=O)C2OC3OC(C)(C)OC3C3OC(C)(C)OC23)cc1,KXDBPJYRZUANMS-UHFFFAOYSA-N
-rxn:4:178597:227310,CCC(C)c1ncc(-c2ccc(OC(=O)C3OC4OC(C)(C)OC4C4OC(C)(C)OC34)cc2)cc1Cl,BVOWXOBZVHREFQ-UHFFFAOYSA-N
-rxn:4:178598:224421,COc1cc2c(cc1OC)C1CCCCC1OC2c1cccc(-c2c(C(C)C)cc(C(C)C)cc2C(C)C)c1,FUCDJUQYHKJGNZ-UHFFFAOYSA-N
-rxn:4:178700:223597,Fc1c(OC(F)(F)F)ccc(-c2ccc(OCCN3CCC4(CC3)OCCO4)c(Cl)c2)c1F,KRDWXPIVAIFBDH-UHFFFAOYSA-N
-rxn:4:179929:223928,CC(C)(C)OC(=O)N1CCc2ncc(-c3cc(F)c(C4OCCO4)cc3C(F)(F)F)cc2C1,KSQZCFWNDIAUAD-UHFFFAOYSA-N
-rxn:4:180073:223520,CC(c1ccc(-c2cccc(C#C[Si](C)(C)C)c2)cc1)N1CCN(C(=O)OC(C)(C)C)CC1,HWQUBCDBLHZNGK-UHFFFAOYSA-N
-rxn:4:180210:222523,CC(C)(C)NS(=O)(=O)c1ccc(-c2cc(C(C)(C)C)cc(C(F)(F)F)c2)c(C(F)(F)F)c1,BBWIABRFPVWRMK-UHFFFAOYSA-N
-rxn:4:180352:222604,COc1ccc(-c2ccc(OC3CCS(=O)(=O)CC3)cc2)cc1S(=O)(=O)NC1CCCC1,CEJZEBMKWWGWLV-UHFFFAOYSA-N
-rxn:4:180441:222614,O=S(=O)(NC1CC1)c1ccc(-c2cc(C3COCCO3)ccc2C2CC2)c(C(F)(F)F)c1,YROXZBJRQQKQHI-UHFFFAOYSA-N
-rxn:4:180484:223920,CN(C(=O)c1ccc(-c2ccc(C(=O)C3CCCCCC3)cc2)c(Cl)c1)C1CCCCC1,QBMDJMFJSIXHDN-UHFFFAOYSA-N
-rxn:4:180486:222538,c1cc(C2CCOCC2)c(-c2cc(C3CCCC3)nc(C3CCNCC3)c2)cc1C1CC1,CNCMWEGLTZZTJK-UHFFFAOYSA-N
-rxn:4:180701:223712,COC(=O)c1cc(-c2ccc(OC)c(C34CC5CC(CC(C5)C3)C4)c2)cc2c1OCCC2,MPOIZXSIHPYXKN-UHFFFAOYSA-N
-rxn:4:180815:225190,COc1cc(N2CCOCC2)ccc1-c1ccc(OC)c(C23CC4CC(CC(C4)C2)C3)c1,QTOYCJMCLPWVNX-UHFFFAOYSA-N
-rxn:4:182372:222655,CO[C@H]1CC[C@]2(CC1)Cc1ccc(-c3ccc(C(=O)NC4CCCCC4)c(Cl)c3)cc1C2=O,HFEMXFOUIAEZPF-RSIILCRJSA-N
-rxn:4:182372:224399,CO[C@H]1CC[C@]2(CC1)Cc1ccc(-c3ccc(N4CCOCC4)cc3C(F)(F)F)cc1C2=O,FDLRFSDZBBAJJZ-WBANQOEISA-N
-rxn:4:182376:224421,CO[C@H]1[C@H](C)C[C@@]2(Cc3ccc(-c4c(C(C)C)cc(C(C)C)cc4C(C)C)cc3C2=O)C[C@@H]1C,QYZAWYSQWGKXHM-PMPXYCDWSA-N
-rxn:4:182376:225469,CO[C@H]1[C@H](C)C[C@@]2(Cc3ccc(-c4ccc(N5CCCC(C)C5)cc4)cc3C2=O)C[C@@H]1C,BGNQOVWQLVSYNX-FNUIUYADSA-N
-rxn:4:183271:225439,CC(c1cccc(-c2ccc3c(c2)OCCOCCOCCOCCO3)c1)N1CCCC1,WXRFALWWBQWVED-UHFFFAOYSA-N
-rxn:4:183272:225656,CC1CCCCN1c1cncc(-c2ccc3c(c2)OCCOCCOCCOCCOCCO3)c1,JXRYOLYXNYJJRT-UHFFFAOYSA-N
-rxn:4:183272:227840,Cc1cccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCO3)c1C1CC1,OOCXSPPKYLROLM-UHFFFAOYSA-N
-rxn:4:183273:223382,c1cc2c(cc1-c1cnc(NC3CC3)nc1)OCCOCCOCCOCCOCCOCCO2,ZHEWDPHMRBXURI-UHFFFAOYSA-N
-rxn:4:183273:227937,CC(C)Sc1cccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,WBBPNTXBBCLKAM-UHFFFAOYSA-N
-rxn:4:183274:226569,c1cc(Cn2cc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCOCCO4)cn2)ccn1,WKEROUYMLMAZCF-UHFFFAOYSA-N
-rxn:4:183274:227279,CC(C)n1nc(C2CC2)cc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCOCCO2,WQOFPFROXXVEDI-UHFFFAOYSA-N
-rxn:4:183274:228422,COc1c(Cl)ccc(F)c1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCOCCO2,KKHYJGGHOSRHCB-UHFFFAOYSA-N
-rxn:4:183274:228857,c1cn2cc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCOCCO4)cnc2n1,FPYQADSPRKFLPQ-UHFFFAOYSA-N
-rxn:4:183517:224252,CCOC(=O)Cc1c(C(F)(F)F)ccc(C#N)c1-c1ccc(C(=O)N2CCCC(C)C2)c(F)c1,XBFJIEHOCLKFBH-UHFFFAOYSA-N
-rxn:4:183653:223829,CCN(CC)CCOc1ccc(-c2cc(S(=O)(=O)N3CCN(CC)CC3)ccc2C)cc1F,ZVFHZWFMAYGUDQ-UHFFFAOYSA-N
-rxn:4:183666:224878,COC(=O)C(Oc1cccc([N+](=O)[O-])c1-c1ccccc1COC1CCCCC1)C(C)C,VCBUASVDJGCZLK-UHFFFAOYSA-N
-rxn:4:183668:222825,CC(C)(C)NS(=O)(=O)c1ccc(Cl)cc1-c1ccc(C(=O)C(C#N)C(=O)OC(C)(C)C)cc1,ZNTHQEAYIVGLJF-UHFFFAOYSA-N
-rxn:4:183669:222930,COC(=O)CSC1CCN(C(=O)c2ccc(-c3cnc(Cl)c(N4CCCC(O)C4)c3)o2)C1,XZEFZEXSHHNOOS-UHFFFAOYSA-N
-rxn:4:183729:225736,CCCOc1c(OC)ccc(-c2cc(OC(F)(F)F)ccc2OCC(=O)N2CCOCC2)c1F,CVNWFTNVBKMCRU-UHFFFAOYSA-N
-rxn:4:183745:224328,COC(=O)CSC1CCN(C(=O)c2cccc(-c3cccc(S(=O)(=O)N4CCCCC4C)c3)c2)C1,LPSIUURTIRPHND-UHFFFAOYSA-N
-rxn:4:183749:225574,COC(=O)c1cc(C2CC2)ccc1-c1ccc(OC(F)(F)F)cc1OCCN1CCOCC1,BITYQEXZSIWKOS-UHFFFAOYSA-N
-rxn:4:183772:223606,O=C(COc1cc(OC(F)(F)F)ccc1-c1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)c(F)c1)N1CCCC(F)(F)C1,ZRGZODKCRQDMDI-UHFFFAOYSA-N
-rxn:4:183804:222875,CC(C)(C)NC(=O)c1ccc(F)c(-c2cc(OC(F)(F)F)ccc2OCCN2CCCCC2)c1,ZDGLDNUSAJHJLW-UHFFFAOYSA-N
-rxn:4:183810:224420,CC(=O)Oc1ccc(N(C(C)=O)S(=O)(=O)c2ccc(-c3cc4c(cc3C)C(C)(C)CCC4(C)C)cc2)cc1,BABOBFHIWCCQRI-UHFFFAOYSA-N
-rxn:4:183818:222897,CCCCNS(=O)(=O)c1cccc(-c2ccccc2CN(C(=O)OC(C)(C)C)C2CC2)c1,FNNOUQFGHFHFMQ-UHFFFAOYSA-N
-rxn:4:183818:224566,COC(=O)C1(c2ccc(-c3ccccc3CN(C(=O)OC(C)(C)C)C3CC3)cc2)CCCC1,MKTCZARLQXDMFX-UHFFFAOYSA-N
-rxn:4:183824:225759,CCN(C)C(=O)c1ccc(-c2ccc(CN(C(=O)OC(C)(C)C)C3CC3)c(Cl)c2)cc1F,DZTGUDMMHXXNSY-UHFFFAOYSA-N
-rxn:4:183831:223079,CC(C)NS(=O)(=O)c1cccc(-c2cc(F)ccc2CN(C(=O)OC(C)(C)C)C2CC2)c1,COHHQKLDCQEFRC-UHFFFAOYSA-N
-rxn:4:183837:226438,COC(=O)C1CCN(C(=O)COc2ccc(-c3cnc(C4CCCC4)cc3F)cc2)CC1,NPQSLQYGZUDRKW-UHFFFAOYSA-N
-rxn:4:183896:225297,COc1ccc(-c2cccc(S(=O)(=O)N3CCCC3)c2)c(C(=O)N2CC(S(=O)(=O)Cc3ccco3)C2)c1,JVBKMCBLXOBJQZ-UHFFFAOYSA-N
-rxn:4:183928:226502,CC(c1ccc(-c2ccn(C(=O)OC(C)(C)C)c2)cc1)N(C(=O)OC(C)(C)C)C1CC1,MONMTOLWLFYARF-UHFFFAOYSA-N
-rxn:4:183929:223556,Cc1ccc(-c2ccc3c(c2)c2ccccc2n3C(=O)OC(C)(C)C)cc1CN(C(=O)OC(C)(C)C)C1CC1,WIXQMYCDANAARK-UHFFFAOYSA-N
-rxn:4:183930:222866,Cc1ccc(CN(C(=O)OC(C)(C)C)C2CC2)c(-c2cccc(NC(=O)OC(C)(C)C)c2)c1,APFALWVNOHBSMP-UHFFFAOYSA-N
-rxn:4:183930:223500,Cc1ccc(CN(C(=O)OC(C)(C)C)C2CC2)c(-c2ccc(F)c(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)c1,MYNLGHQBOAZZBI-UHFFFAOYSA-N
-rxn:4:183966:224078,CC(C)(C)OC(=O)N1CCC(COc2cc(Cl)cc(-c3cccc4c3ccn4[Si](C)(C)C(C)(C)C)c2)C1,VHVRHACRDMVWAP-UHFFFAOYSA-N
-rxn:4:183966:226490,COCCOc1ccc(F)c(-c2cc(Cl)cc(OCC3CCN(C(=O)OC(C)(C)C)C3)c2)c1,HIVWTKYXQYIYJZ-UHFFFAOYSA-N
-rxn:4:184006:222747,COc1ccc(C(=O)N(c2ccc(-c3ccc(C(=O)NCC4CCCO4)cc3)cc2)C2C=CS(=O)(=O)C2)cc1OC,GWRYVPPEYYDHOZ-UHFFFAOYSA-N
-rxn:4:184026:224282,CN(C)S(=O)(=O)c1ccc(-c2ccc(Cl)c(OCC3CCCN(C(=O)OC(C)(C)C)C3)c2)c2ccccc12,UMEKNANSWCPXQW-UHFFFAOYSA-N
-rxn:4:184026:226514,CCc1cnc(C(=O)OC)cc1-c1ccc(Cl)c(OCC2CCCN(C(=O)OC(C)(C)C)C2)c1,ZEGOERSJVANYDM-UHFFFAOYSA-N
-rxn:4:184031:222755,CC(C)(C)OC(=O)N1CCCC(COc2cc(F)cc(-c3ccc(C(=O)NCc4cccs4)cc3)c2)C1,YLOJTHYPYCDJAC-UHFFFAOYSA-N
-rxn:4:184032:222774,CC(C)(C)OC(=O)N1CCCCC1COc1cc(F)cc(-c2ccc(F)c(CN3CCC(O)CC3)c2)c1,FBUOYBZVSLVCHX-UHFFFAOYSA-N
-rxn:4:184033:227007,CC(C)OCc1cccc(-c2ccc(S(=O)(=O)OC3CCCN(C(=O)OC(C)(C)C)C3)cc2)c1,QGBLPPGQVOUVNJ-UHFFFAOYSA-N
-rxn:4:184064:226115,Cc1ccc(CN(C(=O)OC(C)(C)C)C2CCCC2)c(-c2cccc(C(=O)CC(C)C)c2)c1,HZBCMTWCKJPHMY-UHFFFAOYSA-N
-rxn:4:184071:224675,CC(C)(C)OC(=O)N1CCC(CS(=O)(=O)c2cccc(-c3cnc(-c4ccc(C#N)cc4)c(Cl)c3)c2)CC1,ZBILDBZIGJADIN-UHFFFAOYSA-N
-rxn:4:184080:225354,CCOc1cc(-c2cc(OCc3ccccc3Cl)c(OC)cc2C=C2N=C(c3ccccc3)OC2=O)cc(C(F)(F)F)c1F,HAGMURSXWAJSDL-UHFFFAOYSA-N
-rxn:4:184087:224243,CC1CCCCN1C(=O)c1cc(F)cc(-c2ccc(CN(C(=O)C3=C(c4ccccc4)SCCO3)C3CCS(=O)(=O)C3)o2)c1,JVFOHJXOKPLWPI-UHFFFAOYSA-N
-rxn:4:184096:224790,CCCOc1cc(-c2ccc(CN(C(=O)OC(C)(C)C)C3CCC(C)(C)CC3)cc2)ccc1OC(F)(F)F,YZSAHNHTWYOIPJ-UHFFFAOYSA-N
-rxn:4:184096:227985,CC(C)c1cc(-c2ccc(CN(C(=O)OC(C)(C)C)C3CCC(C)(C)CC3)cc2)ccc1F,XGHUSGIGRNOGEF-UHFFFAOYSA-N
-rxn:4:184099:224594,CC(=O)N1CCCCC1c1ccccc1-c1ccc(C(C)N(C(=O)OC(C)(C)C)C2CCC(C)(C)CC2)cc1,OEGDGWGVLGDHCM-UHFFFAOYSA-N
-rxn:4:184099:228318,COC(=O)c1ccncc1-c1ccc(C(C)N(C(=O)OC(C)(C)C)C2CCC(C)(C)CC2)cc1,KNDJGNYFYDSHIH-UHFFFAOYSA-N
-rxn:4:184099:228320,COC(=O)c1cc(-c2ccc(C(C)N(C(=O)OC(C)(C)C)C3CCC(C)(C)CC3)cc2)ccn1,ZLEIVIFXPIEPFQ-UHFFFAOYSA-N
-rxn:4:184100:227812,Cc1cc(CN(C(=O)OC(C)(C)C)C2CCC(C)(C)CC2)cc(-c2cccc(CC(C)C)c2)c1,JROYOLXQZOTHJM-UHFFFAOYSA-N
-rxn:4:184167:224420,Cc1cc2c(cc1-c1ccc3cc(CN(C(=O)OC(C)(C)C)C4CC4)ccc3c1)C(C)(C)CCC2(C)C,LQVHCDITKYPNDS-UHFFFAOYSA-N
-rxn:4:184168:224868,CC(C)(C)OC(=O)N(Cc1ccc(-c2cccc(OCC3CCCCC3)c2)c2ccccc12)C1CC1,PNWHLPISXYJSIZ-UHFFFAOYSA-N
-rxn:4:184191:224999,CC(c1ccc(-c2ccc3c(c2)C(=O)C(=O)N3CCCOc2ccc(C(C)(C)C)cc2)cc1)N1CCOCC1,NFUDWAANEPTODT-UHFFFAOYSA-N
-rxn:4:184222:225556,CC(C)(C)OC(=O)c1cccc(-c2ccc(CN(C(=O)OC(C)(C)C)C3CCCCC3)c3ccccc23)c1,BHOQILSTJBHGFB-UHFFFAOYSA-N
-rxn:4:184237:225361,CC(C)OCCCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2C1c1ccc(-c2cn(C3CCCC3)nc2C(F)(F)F)cc1,IADPTIVIENUWQK-UHFFFAOYSA-N
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-rxn:4:187640:224492,Cc1cc(OC2CCN(S(=O)(=O)c3ccccc3-c3ccc(CCC(=O)N4CCCC4)cc3)CC2)cc(=O)o1,QEZBWZWGFWTCLC-UHFFFAOYSA-N
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-rxn:4:187688:224392,Cc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1ccc(C(=O)c2ccc(CN3CCC4(CC3)OCCO4)cc2)cc1F,LXAWFDAAOASSJW-UHFFFAOYSA-N
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-rxn:4:188890:223839,COC(=O)c1cc([N+](=O)[O-])cc(-c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2OC)c1C,QJQRCRQAGSXNCG-UHFFFAOYSA-N
-rxn:4:189219:223658,O=C(ON1C(=O)CCC1=O)c1ccc(F)c(-c2ccc(S(=O)(=O)N3CCOCC3)c3ccccc23)c1,ACHXJZUJFPXXQL-UHFFFAOYSA-N
-rxn:4:189700:224689,CN(C(=O)c1ccc(-c2ccc(C(=O)N3CCCCC3)cc2Cl)o1)C1CCS(=O)(=O)C1,YHFVGFIIQQSMGI-UHFFFAOYSA-N
-rxn:4:189866:224420,Cc1cc2c(cc1-c1cc(C(F)(F)F)cc(S(=O)(=O)N3CCCC3)c1)C(C)(C)CCC2(C)C,AVASOGCQTXXSOT-UHFFFAOYSA-N
-rxn:4:189869:223974,CC1CCN(c2ccc(-c3ccc(C(=O)N4CCSCC4)cc3C(F)(F)F)c(C(F)(F)F)c2)CC1,MLUPJNYMUMJSCM-UHFFFAOYSA-N
-rxn:4:189944:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1cccc(CS(=O)(=O)N2CCOCC2)c1,OXTFSKKCTXNYMM-UHFFFAOYSA-N
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-rxn:4:190073:224759,O=C(c1cc(F)cc(-c2ccc(Cl)c(C(=O)N3CCCC(C(F)(F)F)C3)c2)c1)N1CCOCC1,VVBGZZUOJSOZKQ-UHFFFAOYSA-N
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-rxn:4:190252:223790,CN(C(=O)c1ccccc1-c1cncc(C2CCCN2C(=O)OC(C)(C)C)c1)C1CCCCC1,KDFXJGHAJIOIQH-UHFFFAOYSA-N
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-rxn:4:190307:223835,Cc1cc(F)c(-c2ccc(Cl)c(CCN3CCC(C)CC3)c2)cc1S(=O)(=O)N1CCC(C)CC1,XMWPMGGCYRHICW-UHFFFAOYSA-N
-rxn:4:190319:222802,Cc1ccc(-c2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)c(S(=O)(=O)NC(C)(C)C)c1,XBGAFNSUCWSNEM-UHFFFAOYSA-N
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-rxn:4:190330:224561,Cc1c(O[Si](C)(C)C(C)(C)C)cccc1-c1ccc(C2CCCN2S(=O)(=O)C(C)C)cc1,DFCQMDHHDHZMDQ-UHFFFAOYSA-N
-rxn:4:190331:224008,COc1ccc(C(=O)N2CCCCC2C)c(-c2cc(C(=O)N3CCOCC3)cc([N+](=O)[O-])c2)c1,OSBBHMGSTOFHIA-UHFFFAOYSA-N
-rxn:4:190331:224169,COc1ccc(C(=O)N2CCCCC2C)c(-c2cccc(OCCCN3CCOCC3)c2)c1,RYZPWJHVQGMGKD-UHFFFAOYSA-N
-rxn:4:190354:222880,Cc1cc(-c2cc(Cl)ccc2NC(=O)C(C)(C)C)cc(S(=O)(=O)N2CCC(C(F)(F)F)CC2)c1,UWSPYOZUAFMTOI-UHFFFAOYSA-N
-rxn:4:190381:224863,COC1CCCN(S(=O)(=O)c2cc(C)cc(-c3ccccc3CN(C(C)C)C(C)C)c2)C1,UKPBFKFYHDDJNW-UHFFFAOYSA-N
-rxn:4:190410:224059,COc1c(-c2ccc(C3CCN(C(=O)C(C)C)CC3)cc2)cc(C(C)(C)C)cc1C(C)(C)C,KMWHHOVHXXVKKJ-UHFFFAOYSA-N
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-rxn:4:190448:222899,CCCCNS(=O)(=O)c1ccc(-c2c(C)cccc2N2CCCC(C(=O)C(C)C)C2=O)cc1,TWWLLLLQBOAYDU-UHFFFAOYSA-N
-rxn:4:190827:222823,CC(C)(C)NS(=O)(=O)c1ccc(-c2cccc3c2CN(C(=O)OC(C)(C)C)C3=O)c(F)c1,AJSUGMJBXKSOLF-UHFFFAOYSA-N
-rxn:4:190961:225111,COc1ccc(-c2cc3c(cc2F)N(C(=O)OC(C)(C)C)CCC3)c(F)c1OCC(C)C,GWTTVMNFBQYPFE-UHFFFAOYSA-N
-rxn:4:190991:223102,CC(C)(C)NS(=O)(=O)c1sccc1-c1ccc2c(c1)SCCN(C(=O)OC(C)(C)C)C2,NHCMANOMZPVKDZ-UHFFFAOYSA-N
-rxn:4:191033:222637,CC(NC(=O)OC(C)(C)C)c1ccc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)CCC3)cc1,STFCESHDTZBLGN-UHFFFAOYSA-N
-rxn:4:191041:224377,CN1CCN(S(=O)(=O)c2ccc(-c3cccc(C(=O)N4C5CCC4CC(S(C)(=O)=O)C5)c3)cc2)CC1,DTFXLXQTIVBRAA-UHFFFAOYSA-N
-rxn:4:191043:225051,COC(=O)[C@H]1CC[C@H](N2Cc3cc(-c4cc(F)cc(N5CCCC(C)C5)c4)ccc3C2=O)CC1,IYMYHVUDABYWEQ-AUXAAWCRSA-N
-rxn:4:191062:226424,CC1CCCN(c2csc(-c3ccccc3S(=O)(=O)N3C4CCC3CC(S(C)(=O)=O)C4)c2)C1,RRHUQYVVEXDAHE-UHFFFAOYSA-N
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-rxn:4:191067:224845,CC(C)(C)c1cc(-c2cc(C3SCCN3S(=O)(=O)c3ccc4c(c3)CCO4)ccc2F)cc(C(C)(C)C)c1,PTQBPCFXFXIRKB-UHFFFAOYSA-N
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-rxn:4:191088:223098,CC(=O)NS(=O)(=O)c1ccc(-c2ccc3c(c2)C(C)(C)CCN3C(=O)OC(C)(C)C)cc1,CJJCIXWNEMUORU-UHFFFAOYSA-N
-rxn:4:191094:225564,COC(=O)C(C)(C)c1cccc(-c2ccc3c(c2)C2(CCCC2)C(=O)N3C(=O)OC(C)(C)C)c1,WZTHXUBAFWIJRA-UHFFFAOYSA-N
-rxn:4:191097:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3ccc4c(c3)C(C)=CC(C)(C)N4C(=O)OC(C)(C)C)cc21,IMKGEKKUNKOJLU-UHFFFAOYSA-N
-rxn:4:191097:223773,COc1cccc2cc(-c3ccc4c(c3)C(C)=CC(C)(C)N4C(=O)OC(C)(C)C)n(C(=O)OC(C)(C)C)c12,NKCBNKIHCMMHHY-UHFFFAOYSA-N
-rxn:4:191097:224970,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3ccc(S[Si](C)(C)C(C)(C)C)cc3)cc21,WDJHJTNGXGITPT-UHFFFAOYSA-N
-rxn:4:191118:225232,CC1CCN(c2cc(-c3ccc4c(c3)C3(CCN(C(=O)OC(C)(C)C)CC3)CC4=O)cnc2Cl)CC1,VXUFBAYYRPOFPB-UHFFFAOYSA-N
-rxn:4:191124:226716,CC(C)(C)OC(=O)N1CCC2(CCc3ccc(-c4ccn(C(=O)OC(C)(C)C)n4)cc32)CC1,RAESQRHPJRLWCC-UHFFFAOYSA-N
-rxn:4:191125:227568,COc1cc(F)c(-c2ccc3c(c2)CCC32CCN(C(=O)OC(C)(C)C)CC2)c(OC)c1,HCQBBKMKXKJVTI-UHFFFAOYSA-N
-rxn:4:191129:222948,CC(C)(C)OC(=O)N1CCC2(CCc3cc(-c4cnc(N5CCC(O)CC5)nc4Cl)ccc3O2)CC1,HTQBPLFQDXPBNQ-UHFFFAOYSA-N
-rxn:4:191144:223599,CCOC(=O)c1c(C)[nH]c2c1-c1cc(-c3cc4cc(C(F)(F)F)ccc4n3C(=O)OC(C)(C)C)ccc1C(=O)C2=O,PHPYJVYOLFJJMY-UHFFFAOYSA-N
-rxn:4:191170:223596,COc1ccc2c(c1)-c1c(ssc1=S)C(C)(C)N2C(=O)c1ccccc1-c1ccc(Cl)cc1N1CCN(C(=O)OC(C)(C)C)CC1,SPUCGHCITIXALH-UHFFFAOYSA-N
-rxn:4:191172:222752,CC1=CC(C)(C)N2C(=O)C(=O)c3cc(OC(=O)c4ccc(-c5ccc(NC(=O)OC(C)(C)C)cc5C)cc4)cc1c32,SHTWKQOPFOZQMH-UHFFFAOYSA-N
-rxn:4:191173:223168,CC1=CC(C)(C)N2C(=O)C(=O)c3cc(OC(=O)c4cccc(-c5cccnc5N5CCNCC5)c4)cc1c32,LVXSJHCOTAEHGP-UHFFFAOYSA-N
-rxn:4:191187:224806,CN(C1CC1)S(=O)(=O)c1ccc(-c2ccc3oc4c(c(=O)c3c2)C(c2ccc(F)cc2)N(CC2CCCO2)C4=O)c(F)c1,SVAZNLDHINRNEX-UHFFFAOYSA-N
-rxn:4:191206:227232,COc1cc2c(cc1OC)C1=CC(c3cccc(-c4cccnc4OCC4CC4)c3)C3=C(CCCC3=O)N1CC2,IEDDHVQWJIXOQT-UHFFFAOYSA-N
-rxn:4:191928:223501,CC(=O)c1cccc([N+](=O)[O-])c1-c1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c(Cl)c1,ZISDUEWUBCOVEF-UHFFFAOYSA-N
-rxn:4:192730:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3cc(CN4CC(F)C4)ccc3Cl)cc21,QQAXLXVQYXTMJA-UHFFFAOYSA-N
-rxn:4:192756:223590,Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1-c1ccc(C2CCC2)c(C(F)(F)F)n1,XDAZIGSWBWZGOD-UHFFFAOYSA-N
-rxn:4:192825:224375,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc(C(F)(F)F)c(N3CC(F)(F)C3)c2)cc1,GOHIDUSWXNHWLX-UHFFFAOYSA-N
-rxn:4:193030:223606,Cc1cc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c(F)c2)ccc1S(=O)(=O)N(C)C,IFRNZTUKGDGQNC-UHFFFAOYSA-N
-rxn:4:193131:222514,COc1ccc(-c2ccc(S(=O)(=O)N=C3C=CC(=O)C=C3)cc2)cc1S(=O)(=O)NC1CCCCC1,VENWAWOFYDKUPR-UHFFFAOYSA-N
-rxn:4:193131:224665,CN1CCN(Cc2cc(F)ccc2-c2ccc(S(=O)(=O)N=C3C=CC(=O)C=C3)cc2)CC1,DGHMBAKPCUPFGX-UHFFFAOYSA-N
-rxn:4:193131:224670,CN1CCN(Cc2ccc(F)c(-c3ccc(S(=O)(=O)N=C4C=CC(=O)C=C4)cc3)c2)CC1,YZFZWWPKWXEWDB-UHFFFAOYSA-N
-rxn:4:193193:223831,COc1ccc(N2CCCC2=O)cc1-c1ccc(OC)c(S(=O)(=O)N2CCC(C)CC2)c1,RIFGLPLPYAMRJB-UHFFFAOYSA-N
-rxn:4:193202:223918,CN(C(=O)c1ccc(F)c(-c2ccc(C(=O)N3CCCOCC3)o2)c1)C1CCCCC1,UVRQYENFKZNEEB-UHFFFAOYSA-N
-rxn:4:193218:223822,CC(C)(C)COC(=O)c1ccc(C(F)(F)F)cc1-c1cccc(C2(C#N)CC3(CC3)C2)c1,RXWFYKQPUJWHMD-UHFFFAOYSA-N
-rxn:4:193239:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3ccc(N4CCCC4)cc3C(F)(F)F)c2)CC1,GUPXABLYHSYNGF-UHFFFAOYSA-N
-rxn:4:193354:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1ccc(C=NC2CCS(=O)(=O)C2)cc1,GMBZPSUTXVTRLL-UHFFFAOYSA-N
-rxn:4:193518:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(S(=O)(=O)N=C2C=CC(=O)C=C2C)cc1,KOVSOJONFYSPKU-UHFFFAOYSA-N
-rxn:4:193560:223679,CCN1CCN(S(=O)(=O)c2c(C)cc(-c3ccc(C)c(S(=O)(=O)N4CCCC4)c3)cc2C)CC1,DHSALQVRVCPSCT-UHFFFAOYSA-N
-rxn:4:193577:223650,CC(C)(C)OC(=O)N1CCN(c2ccccc2-c2cccc(CN3CCS(=O)(=O)CC3)c2)CC1,GSAVLKTVXFCYDI-UHFFFAOYSA-N
-rxn:4:193617:223957,Cc1ccc(-c2cc(F)c(CO[Si](C)(C)C(C)(C)C)c(F)c2)c(C(=O)N2CCSCC2)c1F,UUHBPWMMGLLLST-UHFFFAOYSA-N
-rxn:4:193645:223846,Cc1cc(-c2ccc(C(F)(F)F)c(N3CCC(F)(F)CC3)c2)cc(C2CC3CCC2(C)C3(C)C)c1,OQJUZXLQRYDHQH-UHFFFAOYSA-N
-rxn:4:193651:224252,CC1CCCN(C(=O)c2ccc(-c3cc(S(=O)(=O)N4CCC(F)(F)CC4)c(F)cc3F)cc2F)C1,DUWHRFRFCQVMCW-UHFFFAOYSA-N
-rxn:4:193667:223699,C[C@@H]1COCCN1Cc1cccc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2C(F)(F)F)c1,MOYWRHWVBCCRDP-QGZVFWFLSA-N
-rxn:4:193721:223898,Cc1ccc(C(=O)N2CCCCC2)cc1-c1ccc(N(C(=O)OC(C)(C)C)C(C)C)cc1,IKYJXMNEKMEDFM-UHFFFAOYSA-N
-rxn:4:193775:224485,CC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2ccc(N3C(=O)C=CC3=O)c(C(C)(C)C)c2)c1,QGKDQCLBJHXUML-UHFFFAOYSA-N
-rxn:4:193829:223481,CC1CCCN(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCC(O[Si](C)(C)C(C)(C)C)CC4)cc3F)cc2)C1,AVYOUPZOKLRYGU-UHFFFAOYSA-N
-rxn:4:193845:222514,COc1ccc(-c2ccc(C3CCN(S(C)(=O)=O)CC3)cc2)cc1S(=O)(=O)NC1CCCCC1,GBEWKKUWGZCAAB-UHFFFAOYSA-N
-rxn:4:193860:223581,COC(=O)c1cccc2cc(-c3cc(C)cc(CN4CCCC(F)(F)C4)c3)n(C(=O)OC(C)(C)C)c12,CDXSMLJPROXCKR-UHFFFAOYSA-N
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-rxn:4:201926:222883,Cc1nc(C2CCCN2C(=O)OC(C)(C)C)sc1-c1ccc(C(=O)NC(C)(C)C)cc1Cl,NIMPJSTVTYUQSG-UHFFFAOYSA-N
-rxn:4:201939:224255,Cc1cc(-c2cc(F)cc(C(=O)N3CCCC(C)C3)c2)ccc1OCC(=O)N1CCN(C)CC1,GDQYXTNKOPMBTA-UHFFFAOYSA-N
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-rxn:4:201988:224307,CCOc1c(CN2CCN(C)CC2)cccc1-c1c(F)cc(O[Si](C)(C)C(C)(C)C)cc1F,LAUJOTXPLIUEDJ-UHFFFAOYSA-N
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-rxn:4:202140:222812,CC(C)(C)OC(=O)Nc1cc(-c2cc(F)cc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)cnc1Cl,BDBKIZRGDPSZMW-UHFFFAOYSA-N
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-rxn:4:202166:223174,CCS(=O)(=O)Nc1ccc(-c2cccc(CN3CCCN(S(=O)(=O)C4CC4)CC3)c2)cc1,IYNQYTUODAKAAK-UHFFFAOYSA-N
-rxn:4:202198:225309,O=C(C1CN(Cc2cccc(-c3cc(C4CC4)cc(C(F)(F)F)c3Cl)c2)CCO1)N1CCSCC1,KZFLHYBSKKFLTN-UHFFFAOYSA-N
-rxn:4:202200:222389,O=C(C1CN(Cc2ccc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)cc2)CCO1)N1CCOCC1,RCXUTMPHWBCSJF-UHFFFAOYSA-N
-rxn:4:202231:223556,Cc1cc(-c2ccc3c(c2)c2ccccc2n3C(=O)OC(C)(C)C)ccc1N1CCN(C(=O)OC(C)(C)C)CC1,ZCPBUJQURBDZLY-UHFFFAOYSA-N
-rxn:4:202268:223833,O=C(C1CN(Cc2ccccc2-c2ccc(Oc3ccc(C(F)(F)F)cc3Cl)cc2)CCO1)N1CCCCC1,LHCNAJIMHCKWQM-UHFFFAOYSA-N
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-rxn:4:202290:227710,COC1CCN(C2CCN(S(=O)(=O)c3ccc(-c4ccc(OS(C)(=O)=O)cc4)cc3)CC2)C1,QPIUICXNUBEZCO-UHFFFAOYSA-N
-rxn:4:202290:227840,COC1CCN(C2CCN(S(=O)(=O)c3ccc(-c4cccc(C)c4C4CC4)cc3)CC2)C1,QXAXIIHEPQZYHG-UHFFFAOYSA-N
-rxn:4:202295:225296,COc1cc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)ccc1S(=O)(=O)N1CCN(c2ccc(C)cc2)CC1,RHLGZJOEAZZXEL-UHFFFAOYSA-N
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-rxn:4:202328:223308,CCNCc1ccccc1-c1ccccc1S(=O)(=O)N1CCC(N2CCC(OC)CC2)CC1,ZLXXUZBMVWQDKD-UHFFFAOYSA-N
-rxn:4:202328:223428,COC1CCN(C2CCN(S(=O)(=O)c3ccccc3-c3ccc(/C=N\O)cc3)CC2)CC1,YCEWHDDKCPCHBV-BWAHOGKJSA-N
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-rxn:4:202328:226482,COCCOc1ncc(-c2ccccc2S(=O)(=O)N2CCC(N3CCC(OC)CC3)CC2)cc1C,CEAVFZJJUJHCQE-UHFFFAOYSA-N
-rxn:4:202328:227111,COC1CCN(C2CCN(S(=O)(=O)c3ccccc3-c3c(C)cc(C4CC4)cc3Cl)CC2)CC1,GOGCOFHBQBDQFA-UHFFFAOYSA-N
-rxn:4:202328:228020,COC1CCN(C2CCN(S(=O)(=O)c3ccccc3-c3c(F)cccc3C3CC3)CC2)CC1,MHVSXFXAZSBLNJ-UHFFFAOYSA-N
-rxn:4:202328:228773,CCc1cc(-c2ccccc2S(=O)(=O)N2CCC(N3CCC(OC)CC3)CC2)cnc1Cl,GYNXRFNJFCIPPZ-UHFFFAOYSA-N
-rxn:4:202337:224385,Cc1ccc(S(=O)(=O)N2CCOC23CCN(C(=O)c2ccc(-c4cnc(-c5ccccc5C(F)(F)F)nc4)o2)CC3)cc1,UQWRTVDDEMRREN-UHFFFAOYSA-N
-rxn:4:202338:222835,CC(C)CC(=O)NCc1ccc(-c2ccc(C(=O)N3CCC4(CC3)OCCN4S(=O)(=O)c3ccccc3)cc2)cc1,VDAPTGPPULQWQH-UHFFFAOYSA-N
-rxn:4:202351:225284,Cc1cc(S(=O)(=O)N2CCOC23CCN(C(=O)c2ccc(-c4cnc(C(F)(F)F)c(CC(C)C)c4)cc2)CC3)ccc1F,UJLQCCSWGORXNX-UHFFFAOYSA-N
-rxn:4:202501:224059,C#CCn1c(=NC(=O)C(C)(C)C)sc2cc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3OC)ccc21,FKFDEACYGMIQCD-UHFFFAOYSA-N
-rxn:4:202518:223092,CC(C)[C@H]1c2nc(-c3cccc(NS(=O)(=O)N(C)C)c3)sc2CN1C(=O)OC(C)(C)C,BDGCDHCKWXNCFJ-SFHVURJKSA-N
-rxn:4:202527:226245,CCCCOc1ccc(-c2cccc(N3C(=NC(=O)COC)SC4CS(=O)(=O)CC43)c2)cc1F,LBJMGLOEHCTLSO-UHFFFAOYSA-N
-rxn:4:202560:222951,C#CCn1c(=NC(=O)C2CCCCC2)sc2cc(-c3cnc(NC(C)=O)cc3C(F)(F)F)ccc21,AHBHUQGYDDCDNV-UHFFFAOYSA-N
-rxn:4:202564:225889,CC(C)(C)OC(=O)N1CC(N2C(=O)c3ccc(-c4ccnn4COCC[Si](C)(C)C)cc3C2=O)C1,VYUXGYSCNOUUMM-UHFFFAOYSA-N
-rxn:4:202594:222704,CCOC(=O)c1cnc2c(-c3ccc(C4CCNCC4)c(C(F)(F)F)c3)cccc2c1N1CCCCC1,IDIBKAJWXLBBGL-UHFFFAOYSA-N
-rxn:4:202596:224728,CCCN1C(=O)C(=C2C(=O)N(CCC)c3ccc(-c4cc(OC)ncc4C(=O)OC(C)(C)C)cc32)SC1=S,LVORGQWUVNNAGH-UHFFFAOYSA-N
-rxn:4:202602:226562,CCOc1c(F)cc(-c2ccc(C3C(C(=O)OC)=C(C)N=C4SC(CC)C(=O)N43)cc2)cc1OC,MAAKZTMKKVBQFI-UHFFFAOYSA-N
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-rxn:4:202698:222892,CCCN1C(=O)C(=C2SC(=S)N(Cc3ccccc3Cl)C2=O)c2cc(-c3ccc(N4CCNCC4)cc3OC)ccc21,RCRAPBRTUALEHF-UHFFFAOYSA-N
-rxn:4:202723:223839,COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1ccc(S(=O)(=O)c2c(C(=O)N3CCCCC3)cnc3ccc(Cl)cc23)cc1,XHAKLRCRKQEBJY-UHFFFAOYSA-N
-rxn:4:202726:224128,CN(C(=O)c1ccc(-c2ccc3c(c2)CCN3C2CCN(C(=O)OC(C)(C)C)CC2)cc1)C1CCCCC1,KWTQKEWLFNKEJS-UHFFFAOYSA-N
-rxn:4:202745:224820,O=C1C2ON(c3ccccc3)C(c3ccc(-c4cccc(S(=O)(=O)N5CCOCC5)c4)cc3)C2C(=O)N1Cc1ccccc1,PIHREKJWJQAVED-UHFFFAOYSA-N
-rxn:4:202754:225175,CC(C)(C)OC(=O)N1CCC(N2CCCc3cc(-c4ccc(F)c(CN5CCOCC5)c4)ccc32)CC1,DHMHDZJLKKCVBS-UHFFFAOYSA-N
-rxn:4:202796:225685,CC(=O)OCc1c(-c2cnc(Cl)c(C3CCCCC3)c2)cccc1N1CCn2c(cc3c2CC(C)(C)C3)C1=O,IZNSWVPZVPJWQR-UHFFFAOYSA-N
-rxn:4:202807:222584,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2ccc(OCCCN3CCNCC3)c(F)c2)cc1,DTRAZDGRNYJKDY-UHFFFAOYSA-N
-rxn:4:202814:223933,CC(C)Oc1ccc(C2=NN3C(C2)c2cc(-c4cc5cc(F)ccc5n4C(=O)OC(C)(C)C)ccc2OC3c2ccc(Cl)cc2)cc1,ZVZAFQPTLLBXMZ-UHFFFAOYSA-N
-rxn:4:203245:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2nc(C(=O)ON3C(=O)CCC3=O)ccc2F)cc1,STILOOSMEBEQSQ-UHFFFAOYSA-N
-rxn:4:203245:224762,O=C(ON1C(=O)CCC1=O)c1ccc(F)c(-c2ccc(C(=O)N3CCOCC3)c(F)c2)n1,XFTMTTHDJUVXFU-UHFFFAOYSA-N
-rxn:4:203304:223504,CON(C)C(=O)c1ncc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c([N+](=O)[O-])c2)cc1C,ULKRFCXSBDRNOF-UHFFFAOYSA-N
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-rxn:4:203702:223836,COc1ncnc2c1cc(-c1cnc(C(=O)N3CCCC(C(F)(F)F)C3)c(Cl)c1)n2C(=O)OC(C)(C)C,YWTVTPOUGQDTIP-UHFFFAOYSA-N
-rxn:4:203709:223048,O=C(NC1CC1)c1cccc(-c2ccc(C(=O)N3CCC(N4C(=O)COC4=O)C3)o2)c1F,CBIXWNRGVMZNEZ-UHFFFAOYSA-N
-rxn:4:203748:223504,COc1ccc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c([N+](=O)[O-])c2)cc1S(=O)(=O)n1nc(C)cc1C,TXDGUXGYORWBFY-UHFFFAOYSA-N
-rxn:4:203764:223740,CC(C)(C)[Si](C)(C)Oc1cc(-c2cnc(N3CCCC(C(F)(F)F)C3)cc2C(F)(F)F)c2ccccc2c1,YXWKYWINABOCSL-UHFFFAOYSA-N
-rxn:4:203804:223491,CC(=O)N1CCCC(Cc2cncc(-c3cc(N4CCN(C(=O)OC(C)(C)C)CC4)cc(C(F)(F)F)c3)c2)C1,WQHSCFXNOMVKJW-UHFFFAOYSA-N
-rxn:4:203852:223500,COc1ccc(N2C(=O)C(=O)N(c3ccc(-c4ccc(F)c(C(=O)N5CCN(C(=O)OC(C)(C)C)CC5)c4)cc3)C2=S)cc1,IULLGXPSCUEGPV-UHFFFAOYSA-N
-rxn:4:203915:224752,Cc1cc(S(=O)(=O)N2CCCC2)ccc1-c1ccccc1S(=O)(=O)N1CCC(N2C(=O)COC2=O)C1,UUBFZTXXBAXZNB-UHFFFAOYSA-N
-rxn:4:203930:224846,CCC1CCC(c2ccc(-c3cc([N+](=O)[O-])c(OC)cc3N3CCCCC3C)cc2)CC1,GOBNJVGXIPHGMH-UHFFFAOYSA-N
-rxn:4:203937:222856,COc1ccc(C2CCNCC2)cc1-c1ccccc1S(=O)(=O)N1CC(N2CCCC2)C1,NJBVTLSKQXFNGB-UHFFFAOYSA-N
-rxn:4:203950:223761,CC(=O)N1CCCC(Cc2cccc(-c3ccc(C4CCCN4C(=O)OC(C)(C)C)cc3)n2)CC1,UCPHUAVUGABLDK-UHFFFAOYSA-N
-rxn:4:204010:222522,COc1ccc(-c2cccc(CC3CCCN(S(C)(=O)=O)CC3)n2)cc1S(=O)(=O)N1CCC(O)CC1,UFAGNLDCFPWDSI-UHFFFAOYSA-N
-rxn:4:204010:224265,CS(=O)(=O)N1CCCC(Cc2cccc(-c3cc(C4CCCCC4)cc(C(F)(F)F)c3)n2)CC1,DXKRFXJTPJYBFN-UHFFFAOYSA-N
-rxn:4:204012:222722,CN(C)C1CCN(S(=O)(=O)c2cccc(-c3cccc(S(=O)(=O)N4CCC(O)CC4)c3)c2)CC1,SNRCDEVRRJJVCM-UHFFFAOYSA-N
-rxn:4:204019:222725,CCNS(=O)(=O)c1ccc(-c2ccccc2CN2CCN(S(C)(=O)=O)C(C)C2)c(C(F)(F)F)c1,OXSUDLASYJYASR-UHFFFAOYSA-N
-rxn:4:204030:225209,Cc1nc(N2CCCCC2C)ncc1-c1cccc(N2CCN(S(=O)(=O)C(C)C)CC2)c1,LEEWRZVSBGIANN-UHFFFAOYSA-N
-rxn:4:204039:225296,CN(C)C1CCN(c2cccc(-c3ccc(S(=O)(=O)N4CCCC4)cc3)c2C(F)(F)F)CC1,DSDSKQPCMNOVGF-UHFFFAOYSA-N
-rxn:4:204066:225171,Cc1cc(C(=O)N2CCC(N(C)C)CC2)cc(-c2cc(F)cc(CN3CCOCC3)c2)c1,CCBXTKGXYNTOHK-UHFFFAOYSA-N
-rxn:4:204082:223814,O=C(c1cccc(-c2ccc(CN3CCC4(CC3)OCCO4)cc2F)c1)N1CCC(N2C(=O)COCC2=O)CC1,FAPATIWAYVOOTO-UHFFFAOYSA-N
-rxn:4:204100:222942,O=C(c1cccc(-c2ccc(S(=O)(=O)NC3CC3)c(F)c2)c1)N1CCCN(C2CCC2)CC1,BBANSZFTRCNUOG-UHFFFAOYSA-N
-rxn:4:204109:225876,O=C1COCC(=O)N1C1CCN(S(=O)(=O)c2ccccc2-c2cc(Cl)ccc2N2CCOCC2)CC1,CDDPOPDOJAWKRU-UHFFFAOYSA-N
-rxn:4:204114:223255,CONC(=O)c1cccc(-c2ccc(C(=O)N3CCCN(C4CCSCC4)CC3)o2)c1,FRBOFBXZFWFHNB-UHFFFAOYSA-N
-rxn:4:204115:226477,CCCCOc1ncc(Cl)cc1-c1ccccc1S(=O)(=O)N1CCCN(C2CCC2)CC1,SWEMBJJUYSSLKE-UHFFFAOYSA-N
-rxn:4:204131:224791,CC(C)OC(=O)c1ccc(-c2ccc(CN3CCC(N4CCOCC4)CC3)cc2)c([N+](=O)[O-])c1,KVZFGLLIJWGPAG-UHFFFAOYSA-N
-rxn:4:204136:225089,CCCCCOc1ccc(-c2ccc(CN3CCCC(F)(F)C3)c(N3CCOCC3)c2)c(F)c1F,FWXQSVLPWYWVQU-UHFFFAOYSA-N
-rxn:4:204140:225376,CN1CCN(Cc2cc(-c3cc(F)c(F)c(OCC(F)(F)F)c3)cc(C(C)(C)C)c2)CC1,IBVRBSPHHAVCKS-UHFFFAOYSA-N
-rxn:4:204142:223186,CC1CN(Cc2ccc(-c3cnn(C4CCCCO4)c3)cc2N2CCOCC2)CCO1,GDHMZGZTEFFKQA-UHFFFAOYSA-N
-rxn:4:204146:225740,CCCOc1c(Cl)cc(-c2ccc(CN3CCCCC3)c(N3CCCCC3)c2)cc1OC,GMVHIQZKDOAYQL-UHFFFAOYSA-N
-rxn:4:204148:224800,CC1CCCN(Cc2ccc(-c3ccc(OC(F)(F)F)c(OC(C)C)c3)cc2N2CCCC2)C1,VBDVBVFBMHACCS-UHFFFAOYSA-N
-rxn:4:204167:225600,CC1CCCN(Cc2ccc(-c3cccnc3OC3CCCCC3)cc2N2CCOCC2)C1,GIWRQFRHLUQRQV-UHFFFAOYSA-N
-rxn:4:204171:222944,CC1CCCN(Cc2ccc(-c3ccc(S(=O)(=O)NC4CC4)cc3F)cc2N2CCCCC2)C1,BOXMDHSVNUJJEP-UHFFFAOYSA-N
-rxn:4:204514:223533,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cnc4c(c3)CN(C(=O)OC(C)(C)C)C4)c(F)c2)CC1,QXSQDAPPZNHLLV-UHFFFAOYSA-N
-rxn:4:204595:224167,CN(Cc1ccc(-c2nc3c(s2)CCN(C(=O)OC(C)(C)C)CC3)cc1)C(=O)OC(C)(C)C,BGMIRWBOGKQUML-UHFFFAOYSA-N
-rxn:4:204668:223542,Cc1sc2nc(SCc3ccccc3-c3ccc(OC(F)(F)F)c(S(=O)(=O)N4CCN(C)CC4)c3)n(C)c(=O)c2c1C,SQPADBVLVQHBCU-UHFFFAOYSA-N
-rxn:4:204722:224722,CC(C)C(=O)N=C1SC2CS(=O)(=O)CC2N1c1cccc(-c2ccnc(N(C)C(=O)OC(C)(C)C)c2)c1,XPWYQUUGKRWPLF-UHFFFAOYSA-N
-rxn:4:204764:226440,O=C1C2CC=CCC2C(=O)N1C1CN(S(=O)(=O)c2ccc(-c3cc(F)nc(C4CCCC4)c3)cc2)C1,FXXRGLPBJGQHIS-UHFFFAOYSA-N
-rxn:4:204764:226448,O=C1C2CC=CCC2C(=O)N1C1CN(S(=O)(=O)c2ccc(-c3cnc(Cl)c(C4CCCC4)c3)cc2)C1,MFLRRPHIPQWIDU-UHFFFAOYSA-N
-rxn:4:204764:228925,CSc1cnc(F)c(-c2ccc(S(=O)(=O)N3CC(N4C(=O)C5CC=CCC5C4=O)C3)cc2)c1,GTVHXDCVADGMQW-UHFFFAOYSA-N
-rxn:4:204775:224725,CCN1C(=O)C(=C2SC(=S)N(Cc3ccc(F)cc3)C2=O)c2cc(-c3ccc(C)c(S(=O)(=O)N(CC)CC)c3)ccc21,QBPIYPFXXUTEJA-UHFFFAOYSA-N
-rxn:4:204785:223257,CCN1C(=O)C(=C2SC(=S)N(CC3CCCO3)C2=O)c2cc(-c3ccc(C(=O)NOC)cc3)ccc21,GYIRXMLQGGSXPN-UHFFFAOYSA-N
-rxn:4:204792:225374,COc1ccc(N2C(=O)N(c3cccc(-c4cc(OC(F)(F)F)cc(OC)c4F)c3)C3CS(=O)(=O)CC32)cc1,RGLDXZAWJOWTQF-UHFFFAOYSA-N
-rxn:4:204834:224280,CC(C)(C)OC(=O)N1CCc2sc(-c3cccc(N4C=C(C(=O)N5CCCCC5)S(=O)(=O)c5ccc(Cl)cc54)c3)cc2C1,WHSDDGQNLGOXJC-UHFFFAOYSA-N
-rxn:4:204834:224470,COCCOc1ccc2cc(-c3cccc(N4C=C(C(=O)N5CCCCC5)S(=O)(=O)c5ccc(Cl)cc54)c3)ccc2c1,HPDIWZRGOGVEOC-UHFFFAOYSA-N
-rxn:4:204845:224652,Cc1cc(C)cc(N2C(=O)N(Cc3ccc(-c4ccc(Cl)c(O[Si](C)(C)C(C)(C)C)c4)cc3F)C3CS(=O)(=O)CC32)c1,WRAGTDVCRMCANQ-UHFFFAOYSA-N
-rxn:4:204860:225197,COc1ccc(-c2cc(F)c(OC3CCCC3)c(Cl)c2)c(C(=O)N2C3CCC2CC2(C3)CN(C)C(=O)CO2)c1,VGTJDEIOBVVQMY-UHFFFAOYSA-N
-rxn:4:204914:224721,Cc1nn(CC(=O)OC(C)(C)C)c(C)c1-c1ccc2c3c([nH]c2c1)CCCN(C(=O)OC(C)(C)C)C3,XPCQBWYRVMYCEE-UHFFFAOYSA-N
-rxn:4:204915:225363,CCC1Oc2c(OC)cc(-c3ccc(C(=O)N4CC(F)(F)C4)nc3)cc2C2CC(c3ccc(Cl)cc3)=NN12,BNXCNUAGOYYVHN-UHFFFAOYSA-N
-rxn:4:206521:223521,Cc1nn(C(=O)c2ccoc2C)c(C)c1-c1cccc(C(C)N2CCN(C(=O)OC(C)(C)C)CC2)c1,UHLHRVBWJVVPHE-UHFFFAOYSA-N
-rxn:4:206525:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1ccc(S(=O)(=O)N2CCOCC2)nc1,PTJXRYSLLSBIBX-UHFFFAOYSA-N
-rxn:4:206600:222466,CC(C)[C@H]1COC(c2ccc(-c3cc(C4CCCCC4)nc(C4CCNCC4)c3)cn2)=N1,DUIWRXNTLQIDET-AREMUKBSSA-N
-rxn:4:206859:223835,Cc1cc(F)c(-c2ccc(C#N)c(N3CCC(C)CC3)c2)cc1S(=O)(=O)N1CCC(C)CC1,AJAMHMNVELQDHC-UHFFFAOYSA-N
-rxn:4:206906:222465,CC1CCN(Cc2cncc(-c3cc(C4CCCCC4)nc(C4CCCNC4)c3)c2)CC1,BPYCUCQXJMHSGC-UHFFFAOYSA-N
-rxn:4:206946:224325,CS(=O)(=O)N1CC=C(c2ccc(-c3cccc(C4CCCN(S(C)(=O)=O)C4)n3)cc2)CC1,YQFBBGOZSBQSEL-UHFFFAOYSA-N
-rxn:4:206946:224394,Cc1ccc(-c2cccc(C3CCCN(S(C)(=O)=O)C3)n2)cc1S(=O)(=O)N1CCOCC1,JLDNOUFMSWHILD-UHFFFAOYSA-N
-rxn:4:206959:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3cccc(N4CCN(S(C)(=O)=O)CC4)c3)c2)CC1,DYEHWZVJIZSSSP-UHFFFAOYSA-N
-rxn:4:206961:223588,Cc1cc(-c2cncc(S(=O)(=O)N3CCCC(C)C3)c2)cnc1N1CCN(C(=O)OC(C)(C)C)CC1,WIKQEUJLWLGWQV-UHFFFAOYSA-N
-rxn:4:206964:222694,CS(=O)(=O)N1CCC(c2ccc(-c3cccc(S(=O)(=O)NC4CCCCC4)c3)cn2)CC1,BXWXJDKVSRJCCS-UHFFFAOYSA-N
-rxn:4:206964:222716,CS(=O)(=O)N1CCC(c2ccc(-c3ccc(S(=O)(=O)NC4CCCC4)c(F)c3)cn2)CC1,GLASQJHBMFTEFY-UHFFFAOYSA-N
-rxn:4:206983:222779,CC1CCN(c2cc(C(F)(F)F)c(-c3ccncc3CNC(=O)OC(C)(C)C)cn2)CC1,FGGQNPFMONHPDB-UHFFFAOYSA-N
-rxn:4:206991:222584,CN(C)C=C1C(=O)N(c2ccc(-c3ccc(OCCCN4CCNCC4)c(F)c3)cc2)CS1(=O)=O,BMFCRUSTFFBZDN-UHFFFAOYSA-N
-rxn:4:207028:223834,Cc1cc(-c2cccc(C3CCCN(C(C)C)C3)n2)cc(C)c1S(=O)(=O)N1CCN(C)CC1,LLFJPYYVNJVLGV-UHFFFAOYSA-N
-rxn:4:207081:224718,CC1(C)OCC2(CO1)CN(C(=O)c1cncc(-c3ccc(OCCN4CCOCC4)nc3)c1)C2,ZEPRRTJGUYURNW-UHFFFAOYSA-N
-rxn:4:207081:225889,CC1(C)OCC2(CO1)CN(C(=O)c1cncc(-c3ccnn3COCC[Si](C)(C)C)c1)C2,CBMQKGUYFDHYJX-UHFFFAOYSA-N
-rxn:4:207085:224824,Cc1cc(C)c(S(=O)(=O)N2CCN(C)CC2)cc1-c1cc(C2OCCO2)cc(C(F)(F)F)c1,AEUNFAYDDROFPH-UHFFFAOYSA-N
-rxn:4:207092:222799,Cc1cc(-c2cc(C3=NC(C)(C)CO3)ccc2C2=NC(C)(C)CO2)ccc1S(=O)(=O)NC(C)(C)C,LQAUZOMMFXLAPY-UHFFFAOYSA-N
-rxn:4:207176:223497,COC(=O)c1cc(-c2ccc(C(C)N3CCC(O[Si](C)(C)C(C)(C)C)CC3)cc2)nc2[nH]ccc12,FLWIOEGWBZLJLU-UHFFFAOYSA-N
-rxn:4:207847:225080,COC(=O)C1CCc2cc(-c3cccc(N4C(=O)N(c5ccc(C)cc5)C5CS(=O)(=O)CC54)c3)ccc2O1,ZABGCQKGRPKNIF-UHFFFAOYSA-N
-rxn:4:207852:222712,Cc1ccccc1N1C(=O)N(c2ccc(-c3ccc(NC(=O)OC(C)(C)C)c(F)c3F)cc2)C2CS(=O)(=O)CC21,MFZRVKGHFPBXTH-UHFFFAOYSA-N
-rxn:4:207890:223943,Cc1cc2c(cnn2C2CCCCO2)c(-c2cnn(CC34CC5CC(CC(C5)C3)C4)c2C)c1Cl,AXBFIPQEOMVOSF-UHFFFAOYSA-N
-rxn:4:207965:222410,CNC(=S)Nc1cccc(-c2ccc3c(c2)C2CC(c4ccc(OC)cc4)=NN2C2(CCC(C)CC2)O3)c1,MVIBLTNJCTVJTL-UHFFFAOYSA-N
-rxn:4:209220:223536,CC(C)(C)OC(=O)N1CCN(c2cc(-c3ccncc3N3CCSC3)cc(F)c2F)CC1,VCFGBBRJVJSJLQ-UHFFFAOYSA-N
-rxn:4:209239:223533,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cncc(C4=NCCC4)c3)c(F)c2)CC1,SZSYGHZIQMMECR-UHFFFAOYSA-N
-rxn:4:209242:223536,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cnccc3N3CCSC3)cc(F)c2F)CC1,NOWMHYBELOXCHM-UHFFFAOYSA-N
-rxn:4:209245:223536,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cncc(N4CCSC4)c3)cc(F)c2F)CC1,GICWIHZZBQNPHQ-UHFFFAOYSA-N
-rxn:4:209506:223504,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccnc(N4CCC(F)(F)C4)c3)cc2[N+](=O)[O-])CC1,BFGLMUDXALUUHL-UHFFFAOYSA-N
-rxn:4:209627:223529,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc(N4CCSCC4)nc3)cc2F)CC1,SILLKJBVPAGORZ-UHFFFAOYSA-N
-rxn:4:209627:223531,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc(N4CCSCC4)nc3)cc2Cl)CC1,RMTJEJVMNVPHBA-UHFFFAOYSA-N
-rxn:4:209627:223532,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)cc(-c3ccc(N4CCSCC4)nc3)c2)CC1,FOMINAOGZVOWMC-UHFFFAOYSA-N
-rxn:4:209871:222465,CN1CCN(c2cc(Cl)cc(-c3cc(C4CCCCC4)nc(C4CCCNC4)c3)c2)CC1,HWKGMFCYJJGWQG-UHFFFAOYSA-N
-rxn:4:210681:223840,COc1ccc(-c2ccc(C3=CSC4=NCCN34)cc2)cc1S(=O)(=O)N1CCN(C)CC1,BUSNQLIAKXSRAZ-UHFFFAOYSA-N
-rxn:4:210833:223697,Cn1ncc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2C(F)(F)F)c1C12CCCCC1O2,IHEYWGJEXZEVSK-UHFFFAOYSA-N
-rxn:4:211099:224022,Cc1ccc(C2=NN3C(C2)c2cc(-c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)ccc2OC32CCCC2)cc1,SVRDBVLLECFDSB-UHFFFAOYSA-N
-rxn:4:211101:222630,Cc1ccc(C2=NN3C(C2)c2cc(-c4cc(C5CCC5)nc(C5CCNCC5)c4)ccc2OC32CCC(C)CC2)cc1,YUTHHVPOMDZRCM-UHFFFAOYSA-N
-rxn:4:212508:224393,C[Si](C)(C)CCOCn1cc(C#N)nc1-c1cc(C(F)(F)F)ccc1N1CCOCC1,NLOLAZHVKBIALK-UHFFFAOYSA-N
-rxn:4:212543:224877,COCC(=O)N1CCCC(COc2ncc(-c3ccc(COC4CCCCC4)cc3)cn2)C1,UPANRBDLYOCDLQ-UHFFFAOYSA-N
-rxn:4:212547:223602,CCOCCN1CCC(Oc2ncc(-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3Cl)cn2)CC1,LJWYFAHTBJEIFT-UHFFFAOYSA-N
-rxn:4:212554:223994,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cnc(OC2CCN(C(=O)COc3ccc(Cl)cc3)C2)nc1,NLCUSCSLAVUIRF-UHFFFAOYSA-N
-rxn:4:212567:226034,COc1c(Cl)cc(-c2cnc(OC3CCN(C(=O)c4ccc(OC(F)(F)F)cc4)C3)nc2)cc1C(F)(F)F,JICWDRJQRQBYDW-UHFFFAOYSA-N
-rxn:4:212593:225175,CN(C(=O)c1ccc(-c2ccc(F)c(CN3CCOCC3)c2)nc1)C1CN(C(=O)OC(C)(C)C)C1,KAADQCMCEKKQJN-UHFFFAOYSA-N
-rxn:4:212615:225428,CCCCC(=O)c1ccc(-c2cncc(C(=O)OCC(=O)N3CCN(c4ccc(F)cc4)CC3)c2)c(C)c1,ZCNWLHXAUCWMLN-UHFFFAOYSA-N
-rxn:4:212622:224826,CCOC(=O)c1cc(-c2cnc(OCC3CCCN(C(=O)Cc4ccc(F)cc4)C3)nc2)cnc1C(F)(F)F,WNHROVUTGOKLMS-UHFFFAOYSA-N
-rxn:4:212648:223888,Cn1cc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CCC3)c(OCC2CCN(C(=O)OC(C)(C)C)CC2)n1,AIWAQZZSXWFJFT-UHFFFAOYSA-N
-rxn:4:212666:222732,COc1ccc(S(=O)(=O)N2CCC(COc3ncc(-c4ccc(C(=O)NC5CCCCC5)cc4)cn3)CC2)cc1,UVOKSBKYVJOFGY-UHFFFAOYSA-N
-rxn:4:212667:224146,COc1ccc(S(=O)(=O)N2CCCC(COc3ncc(-c4c(C)cc(O[Si](C)(C)C(C)(C)C)cc4C)cn3)C2)cc1,OTDPBRXSHTZAKD-UHFFFAOYSA-N
-rxn:4:212678:224459,Cc1cnc(OCC2CCCN(C(=O)Cc3ccccc3-c3ccc(N4CCCC4)c(C(C)(C)C)c3)C2)nc1,GWEIRVQMHBYPBZ-UHFFFAOYSA-N
-rxn:4:212692:223289,CNS(=O)(=O)c1ccccc1-c1cncc(CC(=O)N2CCN(C(=O)OC(C)(C)C)C(C)C2)c1,KQMUGZBFTVPYJS-UHFFFAOYSA-N
-rxn:4:212708:222703,COc1ccc(C2=NN(C(=O)c3ccc(-c4ccc(C(F)(F)F)c(C5CCNCC5)c4)cc3)C(c3cccc([N+](=O)[O-])c3)C2)cc1,JUGLWGXIPIUGQT-UHFFFAOYSA-N
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-rxn:4:212729:225312,COc1ccc(-c2noc(C3CCCN(S(=O)(=O)c4ccc(-c5cnc(N6CCCN(C)CC6)nc5)cc4)C3)n2)cc1OC,RCZHVFZIHOKEKD-UHFFFAOYSA-N
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-rxn:4:213203:225312,Cc1ccc(OCC2CCN(S(=O)(=O)c3ccc(-c4cnc(N5CCCN(C)CC5)nc4)cc3)CC2)nn1,REECGODDXMEJLK-UHFFFAOYSA-N
-rxn:4:213220:227743,CC1CN(c2ccc(-c3cc(C(F)(F)F)ccc3Cl)cc2[N+](=O)[O-])CCN1C(=O)OC(C)(C)C,VHCRTYKMYCHTNV-UHFFFAOYSA-N
-rxn:4:213222:225227,CC1CCN(c2ncc(-c3ccc(C(=O)N4CCN(Cc5nc(C(C)(C)C)cs5)CC4)o3)cc2Cl)CC1,BLGMPGQGMBNKPA-UHFFFAOYSA-N
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-rxn:4:213265:223983,CCN1CCN(S(=O)(=O)c2ccccc2-c2ccc(C(=O)N3CCC(N4CCC(Oc5nccs5)CC4)CC3)o2)CC1,HTHJKPPIIFKSOQ-UHFFFAOYSA-N
-rxn:4:213279:225747,Cc1ccc(S(=O)(=O)N2N=C(c3ccc(-c4ccc(C)n4C(=O)OC(C)(C)C)cc3)CC2c2cccc([N+](=O)[O-])c2)cc1,SPSFCVCESSPCEX-UHFFFAOYSA-N
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-rxn:4:213334:224806,CN(C1CC1)S(=O)(=O)c1ccc(-c2ccc(C(=O)N3CCN(c4nc5ccc(OC(F)(F)F)cc5s4)CC3)o2)c(F)c1,QBPJACWAGSOMCE-UHFFFAOYSA-N
-rxn:4:213336:224271,COC(=O)c1nc(-c2cc3cccnc3n2C(=O)OC(C)(C)C)n2c1CCN(C(=O)OC(C)(C)C)CC2,ZJIOFRNEBSZWIJ-UHFFFAOYSA-N
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-rxn:4:213481:225769,COC12CC(COC(=O)c3cncc(-c4cc(OCC5CC5)c(F)cc4F)c3)CN(C)C1Cc1cn(C)c3cccc2c13,DPQFYEVGTJITMI-UHFFFAOYSA-N
-rxn:4:213624:223945,CCC(C)N1CC(Cn2cc(-c3ccc(OCCCN4CCOCC4)c(F)c3)cn2)C1,PMJWDWZZJVYVKM-UHFFFAOYSA-N
-rxn:4:213684:223922,CN(C(=O)c1cc(-c2cnn(CC3CN(CC4CCCO4)C3)c2)ccc1Cl)C1CCCCC1,JEVUYNRFXBTKOI-UHFFFAOYSA-N
-rxn:4:213693:222546,CC(C(=O)N1CCCC(C(F)(F)F)C1)n1cc(-c2ccc(OCCNC3CCCCC3)c(F)c2)cn1,LGMXERDJROHNMZ-UHFFFAOYSA-N
-rxn:4:213693:225898,CC(C(=O)N1CCCC(C(F)(F)F)C1)n1cc(-c2cnn(CCN3CCOCC3)c2)cn1,AWAAKSHJRBHCNN-UHFFFAOYSA-N
-rxn:4:213693:226843,CC(C(=O)N1CCCC(C(F)(F)F)C1)n1cc(-c2ccc(C(=O)C(F)(F)F)nc2)cn1,NRHSSKHXZVBNTP-UHFFFAOYSA-N
-rxn:4:213754:223480,CCN1CCN(Cc2cc([N+](=O)[O-])ccc2-c2cc(C)c(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c(C)c2)CC1,XVJANHFJTSPDRR-UHFFFAOYSA-N
-rxn:4:213756:224765,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3cc(C(F)(F)F)ccc3N3CCCC3)s2)CC1,UXSILBMTNQFOAJ-UHFFFAOYSA-N
-rxn:4:213760:224941,O=C(C1CCOCC1)N1CC(Cn2cc(-c3ccc(CCN4CCOCC4)cc3)cn2)C1,QRFDHTNIUKOVNP-UHFFFAOYSA-N
-rxn:4:213769:224257,CC1CCCCN1C(=O)c1ccc(Cl)c(-c2cnc(C3CCCN3C(=O)OC(C)(C)C)nc2)c1,KFTROXNZHCKUOE-UHFFFAOYSA-N
-rxn:4:213832:225311,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cc(C(F)(F)F)c(C4CC4)cc3Cl)cn2)CC1,OABKZIUEPRXDTA-UHFFFAOYSA-N
-rxn:4:213883:222813,Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)sc1-c1cnc(NC(=O)OC(C)(C)C)c(Cl)c1,GFHTWCRCOIJNHV-UHFFFAOYSA-N
-rxn:4:213897:222634,CC(C)(C)OC(=O)N1CCN(c2ccncc2-c2ccc(OCCNC3CCCC3)c(F)c2)CC1,FNGHKNLOJOVPMJ-UHFFFAOYSA-N
-rxn:4:213901:225975,CC(C)(C)OC(=O)N1CCN(c2nc(Cl)ccc2-c2ccnc(N3CCOCC3)c2Cl)CC1,ONYJAPYVDJCTGQ-UHFFFAOYSA-N
-rxn:4:213928:224011,Cc1nccc(OC2CCCN(C(=O)c3ccccc3-c3ccc(S(=O)(=O)N4CCN(C)CC4)c(F)c3)C2)n1,UCKJCVQTPJPSFH-UHFFFAOYSA-N
-rxn:4:213930:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnc(OC4CCCN(C(=O)c5ccc(C)c(F)c5)C4)nc3)c(F)c2)CC1,UZFBEHPLLMKRNG-QMKXWPMSSA-N
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-rxn:4:213932:225107,CCN(CC)C(=O)c1cccc(-c2cnc(N3CCOC(C(=O)N4CCCC4)C3)c(C(F)(F)F)c2)c1F,UHPGRNQGCJDHLN-UHFFFAOYSA-N
-rxn:4:213942:223106,Cc1nn(C2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1cnc(N2CCC(O)C2)nc1Cl,BHKDAXYDUSLVAA-UHFFFAOYSA-N
-rxn:4:213942:223593,Cc1nn(C2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)c(Cl)c1,SECHMIFTJJSEDV-UHFFFAOYSA-N
-rxn:4:213955:222590,O=C(C1CC=CCC1)N1CCC(Oc2ncc(-c3ccc(S(=O)(=O)NCc4ccccc4)cc3)cn2)CC1,TYYQZLSZFQGIMG-UHFFFAOYSA-N
-rxn:4:213960:223602,Cc1cnccc1OCC1CCN(c2ncccc2-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2Cl)CC1,LEISLCSOYQZBTH-UHFFFAOYSA-N
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-rxn:4:213984:225091,CCCCOc1c(OC)ccc(-c2cncc(C3CCN(C(=O)OC(C)(C)C)CC3C)n2)c1F,GXLPJRNJEWMHRO-UHFFFAOYSA-N
-rxn:4:213985:223106,Cc1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)c(-c2cnc(N3CCC(O)C3)nc2Cl)c1,ZFEDRUDIDPPYTF-UHFFFAOYSA-N
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-rxn:4:213987:225975,Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1ccnc(N2CCOCC2)c1Cl,ZVLIVKDRRJIMNQ-UHFFFAOYSA-N
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-rxn:4:214012:223001,Cn1ccnc1S(=O)(=O)C1CCN(S(=O)(=O)c2ccccc2-c2cc(C3CCCNC3)ccc2F)CC1,HHTMILJFZOFSHO-UHFFFAOYSA-N
-rxn:4:214014:222406,CCNC(=S)Nc1cccc(-c2cncc(C(=O)N3CCCSCC3CN3CCCC3)c2)c1,OOJMLUGFDUFMRO-UHFFFAOYSA-N
-rxn:4:214029:225894,O=C(C1CCCN(c2ncc(-c3cccc(COCC(F)(F)F)c3)cc2C(F)(F)F)C1)N1CCSCC1,VFTPGMPXNNEHEG-UHFFFAOYSA-N
-rxn:4:214065:223892,Cc1nn(C(=O)c2ccc(-c3ccc(OCCCN4CCN(C)CC4)cc3)cc2)c(C)c1S(=O)(=O)N1CCC(C)CC1,KENPVFFCHGPZBM-UHFFFAOYSA-N
-rxn:4:214086:228712,CC(C)N1CCN(Cc2ccc(-c3ccnn3C3CCC3)cc2N2CCCCC2)CC1,YDTCWZNBRXGTHA-UHFFFAOYSA-N
-rxn:4:214203:224853,CC1(C)CCC(c2ccc(-c3ccc4c(ccn4CC(=O)N4CCN(S(C)(=O)=O)CC4)c3)cc2)CC1,QQOGLKCPJQMSOJ-UHFFFAOYSA-N
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-rxn:4:214669:223971,CC(=O)N1CCC(Cc2cnc(-c3cc(N4CCC(C)CC4)cc(C(F)(F)F)c3)cn2)CC1,KLINYNLIFGBSJG-UHFFFAOYSA-N
-rxn:4:214707:225080,COC(=O)C1CCc2cc(-c3cnn(C4CCN(S(=O)(=O)C5CC5)CC4)c3)ccc2O1,KDVBMFZPZTXZPZ-UHFFFAOYSA-N
-rxn:4:214711:222612,CCS(=O)(=O)N1CCN(c2ccc(-c3cc(S(=O)(=O)N4CCC(O)CC4)ccc3F)cn2)CC1,VOOATNWFXZNQJW-UHFFFAOYSA-N
-rxn:4:214716:224764,CCN1CCN(c2cc(-c3ccc(C(=O)N4CCOCC4)cc3F)c(F)cc2[N+](=O)[O-])CC1,PGIRLGXFQPUCCZ-UHFFFAOYSA-N
-rxn:4:214762:223785,CCN1CCN(CCOc2ccc(-c3ccc(CN4CCN(C(C)C)CC4)cn3)cc2Cl)CC1,UZAOQMIJXXXSQI-UHFFFAOYSA-N
-rxn:4:214768:222702,CN(C)C1CCN(c2ccc([N+](=O)[O-])c(-c3cc(C4CCCNC4)ccc3C(F)(F)F)c2)CC1,RJRTTZPFYFFVBM-UHFFFAOYSA-N
-rxn:4:214803:222584,O=C(C1CN(c2ccc(-c3ccc(OCCCN4CCNCC4)c(F)c3)cn2)CCO1)N1CCCC1,MCRNPCAOLARCGN-UHFFFAOYSA-N
-rxn:4:214829:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cccnc3N3CCOC(C(=O)N4CCSCC4)C3)c(F)c2)CC1,IVAQRVBSASGFDM-RSSXGHEXSA-N
-rxn:4:214829:225093,CCCOc1c(Cl)cc(-c2cccnc2N2CCOC(C(=O)N3CCSCC3)C2)cc1OCC,ZIIKJOIWKBDUCR-UHFFFAOYSA-N
-rxn:4:214836:227275,CCCOc1c(F)cccc1-c1cc(Cl)cnc1N1CCOC(C(=O)N2CCSCC2)C1,GZDURNQYNZJQRK-UHFFFAOYSA-N
-rxn:4:214837:226236,CCCCOc1ncc(C)cc1-c1cnc(N2CCOC(C(=O)N3CCSCC3)C2)c(Cl)c1,UFWOTYYVUUPRSG-UHFFFAOYSA-N
-rxn:4:214837:227475,CCOC(=O)c1cncc(-c2cnc(N3CCOC(C(=O)N4CCSCC4)C3)c(Cl)c2)c1,SMQCRIJXEZANNI-UHFFFAOYSA-N
-rxn:4:214837:227500,CCN(C)c1ncc(-c2cnc(N3CCOC(C(=O)N4CCSCC4)C3)c(Cl)c2)cc1Cl,GRLRUZVBTHQRKQ-UHFFFAOYSA-N
-rxn:4:214839:227475,CCOC(=O)c1cncc(-c2cnc(N3CCOC(C(=O)N4CCSCC4)C3)c(F)c2)c1,KGTXNNZUQSONPJ-UHFFFAOYSA-N
-rxn:4:214853:222716,N#Cc1c(-c2ccc(S(=O)(=O)NC3CCCC3)c(F)c2)cccc1N1CCN(C2CCCC2)CC1,QWVSYWDKIMGKQH-UHFFFAOYSA-N
-rxn:4:214853:222944,N#Cc1c(-c2ccc(S(=O)(=O)NC3CC3)cc2F)cccc1N1CCN(C2CCCC2)CC1,WAEGKGZHZHRNFT-UHFFFAOYSA-N
-rxn:4:214857:224372,Cn1ccc(C2CCN(S(=O)(=O)c3ccc(-c4cc(C(=O)N5CCCC5)cc([N+](=O)[O-])c4)cc3)CC2)n1,WQDVEOHLKGAVMT-UHFFFAOYSA-N
-rxn:4:214858:224376,CN1CCN(S(=O)(=O)c2cccc(-c3ccccc3S(=O)(=O)N3CCCC(c4ccn(C)n4)C3)c2)CC1,BNXHDYGVIHLIGJ-UHFFFAOYSA-N
-rxn:4:214866:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3ccc(N4CCCC(C(=O)N5CCOCC5)C4)nc3)c2Cl)CC1,QKQAPGBISMZILF-UHFFFAOYSA-N
-rxn:4:214873:223670,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2cnc(N3CCCC(C(=O)N4CCOCC4)C3)c(F)c2)CC1,HVLHYUSBJBWNAB-UHFFFAOYSA-N
-rxn:4:214874:225542,CCCCCc1ccc(-c2cnc(N3CCOC(C(=O)N4CCCCC4)C3)c(F)c2)c(F)c1F,UKULXZFMMNFEFF-UHFFFAOYSA-N
-rxn:4:214875:223019,N#CCCNC(=O)c1cccc(-c2cnc(N3CCCC(C(=O)N4CCSCC4)C3)c(F)c2)c1,ORRXNTANOBSKRH-UHFFFAOYSA-N
-rxn:4:214885:226478,COc1ccc(OCC#N)c(-c2cnc(N3CCC(C(=O)N4CCC(F)(F)CC4)CC3)c(Cl)c2)c1,UGTHCAQCICSCQJ-UHFFFAOYSA-N
-rxn:4:214890:222510,Cc1ccc(NC(=O)c2cc(F)cc(-c3cncc(C(=O)N4CCCN(C5CCSCC5)CC4)c3)c2)c(Cl)c1,OWXDMAFSUUCCTK-UHFFFAOYSA-N
-rxn:4:214890:224256,CC1CCCCN1C(=O)c1cc(-c2cncc(C(=O)N3CCCN(C4CCSCC4)CC3)c2)ccc1Cl,IBWIBDIQGLBDBW-UHFFFAOYSA-N
-rxn:4:214890:226718,COc1nc(OC)c(-c2cncc(C(=O)N3CCCN(C4CCSCC4)CC3)c2)cc1SC,SILNVNULWZCNDN-UHFFFAOYSA-N
-rxn:4:215025:223636,CC(C)(C)OC(=O)N1CCCC(c2ccc(-c3nn(C(=O)c4c(Cl)cccc4C(F)(F)F)c4cccnc34)cc2)C1,JWVVFCKMHUCITC-UHFFFAOYSA-N
-rxn:4:215101:224799,CC(C)Oc1cc(OC(F)(F)F)cc(-c2ncc3n2CCN(C(=O)OC(C)(C)C)CC3)c1,BLECAIJNNZRJEG-UHFFFAOYSA-N
-rxn:4:215148:224157,CC(C)(C)OC(=O)N1Cc2cnc(-c3cn(C(=O)OC(C)(C)C)c4ccccc34)n2CC1(C)C,PBWUHTBUWYUQKN-UHFFFAOYSA-N
-rxn:4:215166:224321,CC1CCN(S(=O)(=O)c2cccc(-c3ccccc3C(=O)N3C4CCC3CC(n3cccn3)C4)c2)CC1,VHWAJQNBRLPHPL-UHFFFAOYSA-N
-rxn:4:215170:222826,O=C(c1cncc(-c2cccc(S(=O)(=O)N3CCNCC3)c2)c1)N1CC(N2C(=O)C3CC=CCC3C2=O)C1,OMHYLQNLSGZQNV-UHFFFAOYSA-N
-rxn:4:215170:225531,CCN(CC)Cc1cc(F)ccc1-c1cncc(C(=O)N2CC(N3C(=O)C4CC=CCC4C3=O)C2)c1,TWSUPBCFLURUGX-UHFFFAOYSA-N
-rxn:4:215182:222604,COc1ccc(-c2ccc3[nH]c(C(=O)N4CCN(C(C)C)CC4)cc3c2)cc1S(=O)(=O)NC1CCCC1,PLJCFSNYEPLXCW-UHFFFAOYSA-N
-rxn:4:215201:227275,CCCOc1c(F)cccc1-c1cnc2n1CCC21CCN(C(=O)OC(C)(C)C)CC1,SBLDSNGJPUQYHK-UHFFFAOYSA-N
-rxn:4:215216:222634,O=C(C1CCCN(c2nc3ccc(-c4ccc(OCCNC5CCCC5)c(F)c4)cc3s2)C1)N1CCOCC1,ABUVHOTXGYSIOO-UHFFFAOYSA-N
-rxn:4:215300:225438,CC(c1ccc(-c2ccc3c(c2)C2CC(c4ccco4)=NN2C2(CCN(Cc4ccccc4)CC2)O3)cc1)N1CCCC1,KJKPXTORAHFTCL-UHFFFAOYSA-N
-rxn:4:215304:222706,Cc1ccc(C2=NN3C(C2)c2cc(-c4cc(C5CCNCC5)ccc4C(F)(F)F)ccc2OC32CCN(Cc3ccccc3)CC2)cc1,VIVNPVRLJDQAMQ-UHFFFAOYSA-N
-rxn:4:215391:223696,NS(=O)(=O)c1ncc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc2)cc1[N+](=O)[O-],ZVWCJQGIYWRODB-UHFFFAOYSA-N
-rxn:4:215635:223492,Cc1cc(-c2csc(-c3cnc(C4CC4)nc3)n2)ccc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,FYEAXVVULGNJJP-UHFFFAOYSA-N
-rxn:4:215750:223493,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1nc(-c2cnc(C3CCC3)nc2)cs1,XKICDYMZYLNDCS-UHFFFAOYSA-N
-rxn:4:215772:223480,Cc1cc(-c2cncc(N3CCC(C#N)CC3)c2)cc(C)c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,PVABPUFVIJTMLO-UHFFFAOYSA-N
-rxn:4:215906:224394,Cc1ccc(-c2cncc(S(=O)(=O)N3CCN(C)CC3)c2)cc1S(=O)(=O)N1CCOCC1,UMAPUIQYZBYMFO-UHFFFAOYSA-N
-rxn:4:215909:223531,CN1CCN(c2cc(F)c(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)c(Cl)c3)cc2[N+](=O)[O-])CC1,OMMPXUGJJPVZAI-UHFFFAOYSA-N
-rxn:4:215944:223784,CCN1CCN(CCOc2ccc(-c3cccc(N4CCC(N(C)C)CC4)n3)cc2F)CC1,YTKQFMHBTQWOEE-UHFFFAOYSA-N
-rxn:4:215944:223786,CN1CCN(CCCOc2ccc(-c3cccc(N4CCC(N(C)C)CC4)n3)cc2Cl)CC1,AWHRUDKEEHJNOY-UHFFFAOYSA-N
-rxn:4:216778:223504,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(N4CCC4)cn3)cc2[N+](=O)[O-])CC1,OXABEWZPDXXPQU-UHFFFAOYSA-N
-rxn:4:217088:223670,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2c(Cl)ncnc2N2CCOCC2)CC1,WDJAUDSJGOUTAX-UHFFFAOYSA-N
-rxn:4:217905:226382,Cc1ccc(C2=NN3C(C2)c2cc(-c4cnc(C5CCCCC5)nc4)ccc2OC32CCN(C)CC2)o1,BMEDEKCBLOWFRV-UHFFFAOYSA-N
-rxn:4:218568:222771,CC(C)Oc1ccc(C(=O)N2CC(Cn3cc(-c4ccc(F)c(C(=O)NC5CCCC5)c4)cn3)C2)cn1,XLPIJAAODZVOAH-UHFFFAOYSA-N
-rxn:4:218587:223057,N#Cc1ccc(S(=O)(=O)N2CCC(COc3ncc(-c4cc(Cl)nc(C5CCCNC5)c4)cn3)CC2)cc1,NODLJKLWMZWFLW-UHFFFAOYSA-N
-rxn:4:218587:225600,N#Cc1ccc(S(=O)(=O)N2CCC(COc3ncc(-c4cccnc4OC4CCCCC4)cn3)CC2)cc1,WEISCVFDVHVMBV-UHFFFAOYSA-N
-rxn:4:218587:225685,N#Cc1ccc(S(=O)(=O)N2CCC(COc3ncc(-c4cnc(Cl)c(C5CCCCC5)c4)cn3)CC2)cc1,HGXATXRCURGYJL-UHFFFAOYSA-N
-rxn:4:218587:225688,N#Cc1ccc(S(=O)(=O)N2CCC(COc3ncc(-c4cnc(C5CCCCC5)c(Cl)c4)cn3)CC2)cc1,IQWFOEROURWQRI-UHFFFAOYSA-N
-rxn:4:218587:225828,N#Cc1ccc(S(=O)(=O)N2CCC(COc3ncc(-c4cnc(N5CCCCCC5)nc4)cn3)CC2)cc1,IAKMVXHKVJDWGY-UHFFFAOYSA-N
-rxn:4:218588:225312,CN1CCCN(c2ncc(-c3cnc(OCC4CCN(S(=O)(=O)c5ccccc5C#N)CC4)nc3)cn2)CC1,OLCAVCZZPSJVSV-UHFFFAOYSA-N
-rxn:4:218600:222804,CC(C)(C)OC(=O)N1CCN(CCn2cc(-c3ccc(NC4CCS(=O)(=O)CC4)cc3)cn2)CC1,AXPHDHRESZQSHQ-UHFFFAOYSA-N
-rxn:4:218600:225340,CCOc1cc(-c2cnn(CCN3CCN(C(=O)OC(C)(C)C)CC3)c2)ccc1OC(F)(F)F,QFRDRYVWAYRECX-UHFFFAOYSA-N
-rxn:4:218621:226719,CCOC(=O)c1cnc(Cl)c(-c2cnc(OC3CCN(S(=O)(=O)CCN4C(=O)CCCC4=O)C3)nc2)c1,FXZPKOIUCHUQAO-UHFFFAOYSA-N
-rxn:4:218631:223572,CC1CCN(S(=O)(=O)c2ccc(-c3cnc(OCC4CCN(C5CCN(CC(F)(F)F)C5=O)CC4)nc3)c3ccccc23)CC1,ILPPEMWCJLGNJU-UHFFFAOYSA-N
-rxn:4:218674:227013,CCOc1ccc(-c2c(C)nn(CCC(=O)N3CCN(S(=O)(=O)c4ccccc4)CC3)c2C)cc1CC,PQJJUILXSBWGSU-UHFFFAOYSA-N
-rxn:4:218681:225172,CC(=O)N1CCC(C(=O)N2CCC(COc3ncc(-c4cc(CN5CCOCC5)ccc4F)cn3)CC2)CC1,AOUAVWURPBUIGZ-UHFFFAOYSA-N
-rxn:4:218724:223557,CCOC(=O)Cn1c(=O)c2c(nc(-c3c(F)ccc4c3ccn4[Si](C(C)C)(C(C)C)C(C)C)n2Cc2ccc(Cl)cc2)n(C)c1=O,HWTFKWFLTOMESL-UHFFFAOYSA-N
-rxn:4:218768:225044,COc1ccc(CCC(=O)N2Cc3cnc(N4CCOCC4)nc3C2)cc1-c1cc([Si](C)(C)C)cc([Si](C)(C)C)c1,UGAAARMXBINPEE-UHFFFAOYSA-N
-rxn:4:218772:224576,CC(C)(C)c1ccc(-n2cc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCOCC5)CC4)c3)cn2)cc1,YPYYTMPEHMEZLQ-UHFFFAOYSA-N
-rxn:4:218775:228620,CSc1ccc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCCCCC4)CC3)c2)cc1C,LAIIDFIPXPCDLU-UHFFFAOYSA-N
-rxn:4:218788:222536,CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C2CCCCC2)c1=NC(=O)c1ccccc1-c1cccc(C(=O)Nc2ccc(C)cc2C)c1,XUMYAUMEONWTLD-UHFFFAOYSA-N
-rxn:4:218802:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3cccc(-c4nnn(CC(=O)OC(C)(C)C)n4)c3)cc21,FCKHQGLLQAWIDN-UHFFFAOYSA-N
-rxn:4:218824:225257,CCOC(=O)COc1cc(F)cc(-c2cnc(N3CC(CN(C)S(=O)(=O)C4CC4)C3)nc2)c1,SDNTWWXAPSJHGN-UHFFFAOYSA-N
-rxn:4:218832:222546,O=C(c1cscn1)N1CCCC(COc2ncc(-c3ccc(OCCNC4CCCCC4)c(F)c3)cn2)C1,WINHTMBAWFJCRX-UHFFFAOYSA-N
-rxn:4:218868:222896,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3ccc(CNC(=O)OC(C)(C)C)s3)cc2)no1,MVYGYUUMXNPVDT-UHFFFAOYSA-N
-rxn:4:218868:223055,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3ccc(N4CCNCC4)nc3C)cc2)no1,CVYBBEONDXFZTA-UHFFFAOYSA-N
-rxn:4:218868:226395,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3cncc(N4CCCCC4)c3)cc2)no1,IHVMRTPUUDBUOA-UHFFFAOYSA-N
-rxn:4:218876:223493,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccc(C(=O)N2CCC(Oc3cncc(N(C)C)n3)C2)o1,SVTJBVTYMHAZPK-UHFFFAOYSA-N
-rxn:4:218886:224820,Cc1ncsc1C(=O)N1CCCC(COc2ncc(-c3cccc(S(=O)(=O)N4CCOCC4)c3)cn2)C1,VEAZUIFQGRISQM-UHFFFAOYSA-N
-rxn:4:218892:222634,Cc1ccc(OCC2CCN(C(=O)c3cncc(-c4ccc(OCCNC5CCCC5)c(F)c4)c3)C2)nn1,PVMNUIOSBPBQIH-UHFFFAOYSA-N
-rxn:4:218894:223812,N#Cc1cc(-c2cc(F)cc(CN3CCC4(CC3)OCCO4)c2)cnc1N1CCC(COc2ccncc2Cl)CC1,HTQDDPCVVQNIAB-UHFFFAOYSA-N
-rxn:4:218944:223294,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3csc(N4CCNCC4)n3)cc2[N+](=O)[O-])CC1,GHAOXVVCZGSRQI-UHFFFAOYSA-N
-rxn:4:218944:226794,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3cnc(N4CCSCC4)nc3)cc2[N+](=O)[O-])CC1,QXTIOVWIQDXLDO-UHFFFAOYSA-N
-rxn:4:218944:227278,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3ccc(C4(C#N)CC4)nc3)cc2[N+](=O)[O-])CC1,GSAILGKTFMBWNF-UHFFFAOYSA-N
-rxn:4:218968:224376,CN1CCN(S(=O)(=O)c2cccc(-c3cncc(C(=O)N4CCCC(Cc5nc(C6CC6)no5)C4)c3)c2)CC1,UJYUOCWWLKFCIF-UHFFFAOYSA-N
-rxn:4:218973:222684,CCc1cnc(OC2CCN(C(=O)c3cncc(-c4ccc(OCCN5CCNCC5)c(Cl)c4)c3)CC2)nc1,QQEZMFRYJHGJBG-UHFFFAOYSA-N
-rxn:4:218992:223011,CC(C)Oc1cc2cn[nH]c2cc1-c1cnn(CC2CN(C(=O)C3CCN(S(C)(=O)=O)CC3)C2)c1,QXQOFLIILXQQFU-UHFFFAOYSA-N
-rxn:4:218993:224162,Cc1nc(C)c(CN2CCC(COc3ncc(-c4ccc5c(c4)N(C(=O)OC(C)(C)C)CC5)cn3)CC2)s1,ZCLOIWGLUAFGFH-UHFFFAOYSA-N
-rxn:4:218998:222784,CC(C)(C)OC(=O)Nc1ccc(-c2cnc(OCC3CCCN(C(=O)N4CCOCC4)C3)nc2)cc1F,VREHLTUIMHPXCT-UHFFFAOYSA-N
-rxn:4:219053:222888,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cncc(-c4ccc(CN5CCNCC5)c(Cl)c4)c3)cn2)CC1,ZOMWSHWHXPBUJV-UHFFFAOYSA-N
-rxn:4:219053:225601,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cncc(-c4ccc(C5(C#N)CCC5)cc4F)c3)cn2)CC1,DDTGVPGKXRUSHR-UHFFFAOYSA-N
-rxn:4:219072:227390,O=C(Cc1nnc(-c2cccc(-c3ccnn3C3CCCCC3)c2)o1)N1CCN(C2CCCCC2)CC1,RIGZMNMCUMCWLC-UHFFFAOYSA-N
-rxn:4:219072:227610,O=C(Cc1nnc(-c2cccc(-c3ccn(C4CCCCO4)n3)c2)o1)N1CCN(C2CCCCC2)CC1,NTTHNZBOLDJCSS-UHFFFAOYSA-N
-rxn:4:219124:224651,CC(C)(C)[Si](C)(C)Oc1cccc(F)c1-c1cnc(OC2CCN(C(=O)Cn3c(=O)oc4ccccc43)CC2)nc1,LQEWHZUZIOVVAZ-UHFFFAOYSA-N
-rxn:4:219130:224497,CCN1CCN(Cc2ccc(-c3ccc(C(=O)N4CCN(Cc5nc6cc(OC)ccc6[nH]5)CC4)o3)cc2)CC1,ZYABEUBFYHBCBP-UHFFFAOYSA-N
-rxn:4:219136:227473,COc1ccc(N2C(=O)C3N=NN(Cc4cc(OC)ccc4-c4cccc(CC[N+](=O)[O-])c4)C3C2=O)cc1,NCWUNTPBWHXBIZ-UHFFFAOYSA-N
-rxn:4:219154:224253,CC1CCCCN1C(=O)c1cc(-c2ccc3c(ccn3CCC(=O)N3CCN(c4ccccn4)CC3)c2)ccc1F,GVSFQOYSXNBCEH-UHFFFAOYSA-N
-rxn:4:219155:225089,CCCCCOc1ccc(-c2cncc(C(=O)N3CC4CCCC4(COc4ncc(C)cn4)C3)c2)c(F)c1F,PLHUSSCFGKOLJI-UHFFFAOYSA-N
-rxn:4:219353:225805,CC(c1ccc(-c2cnc(OC3CCN(S(=O)(=O)N(C)C)CC3)nc2)s1)N1CCOCC1,DAEXCSSFAQFNJE-UHFFFAOYSA-N
-rxn:4:219365:222634,O=C(c1cncc(-c2ccc(OCCNC3CCCC3)c(F)c2)c1)N1CCCC(Oc2ncc(F)cn2)C1,ZSUFZFJAJRNNFR-UHFFFAOYSA-N
-rxn:4:219384:223591,CC(C)(C)OC(=O)N1CCN(c2ccc(F)c(-c3cnc(N4CCC(COc5ccncc5Cl)CC4)nc3)c2)CC1,ZSBOOXHPQUSFBE-UHFFFAOYSA-N
-rxn:4:219407:223761,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3ccc(C4CCCN4C(=O)OC(C)(C)C)cc3)cn2)CC1,QTUKGPLUSFFIJV-UHFFFAOYSA-N
-rxn:4:219432:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1cccnc1OC1CCN(S(=O)(=O)c2cn(C)c(C)n2)C1,ZLKHRGSALUVBEB-UHFFFAOYSA-N
-rxn:4:219469:222976,CSc1ncc(-c2ccc(C(=O)NC3CC3)c(C)c2)c(N2CCCN(S(=O)(=O)C3CC3)CC2)n1,QEKQKHAIJURYPN-UHFFFAOYSA-N
-rxn:4:219471:226282,CSc1ncc(-c2cccc(OCC(C)C)c2F)c(N2CCOC(C(=O)N3CCCC3)C2)n1,VSKZFQBHNKTVEX-UHFFFAOYSA-N
-rxn:4:219494:222634,Cc1cc(N2CCC(Oc3ccncc3-c3ccc(OCCNC4CCCC4)c(F)c3)C2)nc(C2CC2)n1,PEFABWXBKSVHJW-UHFFFAOYSA-N
-rxn:4:219500:225363,N#Cc1cc(-c2ccc(C(=O)N3CC(F)(F)C3)nc2)cnc1N1CCCC(C(=O)N2CCSCC2)C1,CVNNNQQSMFCXLP-UHFFFAOYSA-N
-rxn:4:219506:225637,CN1CCN(c2ccccc2-c2ccc(S(=O)(=O)N3CCCN(S(=O)(=O)c4c[nH]cn4)CC3)cc2)CC1,UULLBPFJZCAGAS-UHFFFAOYSA-N
-rxn:4:219516:226056,CN1CC(CN2CCC(Oc3ncc(-c4c5c(cc6c4CCC6)CCC5)cn3)CC2)CC1=O,SMNRSEQOOMCSDO-UHFFFAOYSA-N
-rxn:4:219516:227381,CN1CC(CN2CCC(Oc3ncc(-c4cnc(C5CCCC5)nc4)cn3)CC2)CC1=O,CGTCSJOCPBZZGK-UHFFFAOYSA-N
-rxn:4:219532:224008,COc1nc(N2CCCC(C(=O)N3CCSCC3)C2)ncc1-c1cc(C(=O)N2CCOCC2)cc([N+](=O)[O-])c1,XBCKJUQJUJRVPI-UHFFFAOYSA-N
-rxn:4:219535:223835,Cc1cc(F)c(-c2ccccc2C(=O)N2CCCN(S(=O)(=O)c3cnn(C)c3)CC2)cc1S(=O)(=O)N1CCC(C)CC1,YIFXYYSRMFFDGO-UHFFFAOYSA-N
-rxn:4:219581:222511,CC#CCn1c(=O)c2c(nc(-c3cc(C(=O)NC4CCCCC4)cc([N+](=O)[O-])c3)n2CC#CC)n(C)c1=O,XFLLUKLVEPEQNZ-UHFFFAOYSA-N
-rxn:4:219631:222710,COc1ccc(S(=O)(=O)NC(C)(C)C)cc1-c1ccc(C(=O)N(C)C2CN(c3cc4c(nn3)CCC4)C2)o1,PMTSJLVMTLYWOO-UHFFFAOYSA-N
-rxn:4:219654:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cc2c(N3CCN(C(=O)OC(C)(C)C)CC3)ncnc2s1,DQTOIHSILFUUDM-UHFFFAOYSA-N
-rxn:4:219654:225975,CC(C)(C)OC(=O)N1CCN(c2ncnc3sc(-c4ccnc(N5CCOCC5)c4Cl)cc23)CC1,QJLVQBMYUGGMDU-UHFFFAOYSA-N
-rxn:4:219687:223536,CC(C)(C)OC(=O)N1CCC(n2nnc3ccc(-c4cc(F)c(F)c(N5CCN(C(=O)OC(C)(C)C)CC5)c4)cc32)CC1,OGIQTCVKKOZAQN-UHFFFAOYSA-N
-rxn:4:219687:223930,Cc1cc2c(cnn2C(=O)OC(C)(C)C)cc1-c1ccc2nnn(C3CCN(C(=O)OC(C)(C)C)CC3)c2c1,LZBRQCYGOONKGO-UHFFFAOYSA-N
-rxn:4:219692:224462,CC(C)(C)OC(=O)N1CCC(n2cc(-c3ccc(C4CCN(C5CC5)CC4)cc3)c3cnc(Cl)nc32)CC1,DOCVXHDUEWKQIN-UHFFFAOYSA-N
-rxn:4:219692:226663,CC(C)(C)OC(=O)N1CCC(n2cc(-c3ccc(N4CCSCC4)nc3)c3cnc(Cl)nc32)CC1,OOINASTVCZWPAM-UHFFFAOYSA-N
-rxn:4:219708:222681,CC(=O)Cn1c(-c2cccc(CNC(=O)OC(C)(C)C)c2F)nc2c1c(=O)n(Cc1cc(C)ccc1C)c(=O)n2C,OMOLNWDBJKLMBJ-UHFFFAOYSA-N
-rxn:4:219766:223872,CCN(C(=O)c1cccc(-c2cncc(C(=O)N3CCC(Cn4nc5c(cc4=O)CCCC5)CC3)c2)c1)C1CCCCC1,DVEKCADBAATDFE-UHFFFAOYSA-N
-rxn:4:219766:226183,O=C(c1cncc(-c2cnccc2C2CCCCC2)c1)N1CCC(Cn2nc3c(cc2=O)CCCC3)CC1,FXBNAUHJTKWCOZ-UHFFFAOYSA-N
-rxn:4:219843:223660,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cnn(CC4CN(c5ccncc5Cl)C4)c3)s2)CC1,DMFBSFBAGPVORD-UHFFFAOYSA-N
-rxn:4:219845:223636,CC(C)(C)OC(=O)N1CCCC(c2ccc(-c3cnn(CC4CN(c5ncc(Cl)cc5F)C4)c3)cc2)C1,VITFTWWTWGCGAK-UHFFFAOYSA-N
-rxn:4:219859:223649,CC(C)(C)OC(=O)N1CCN(c2cccc(-c3ccc(C(=O)N4CCC(n5nccn5)CC4)o3)c2)CC1,ILUADDKZKLSCIE-UHFFFAOYSA-N
-rxn:4:219861:223689,CCN1CCN(S(=O)(=O)c2cc(-c3cccc(C(=O)N4CC(n5nccn5)C4)c3C)ccc2OC)CC1,TXMITIROXCIUSN-UHFFFAOYSA-N
-rxn:4:219895:223522,CC(C)(C)[Si](C)(C)OC1CCN(c2cc(F)cc(-c3ccccc3C(=O)N3CCC(n4ccnn4)CC3)c2)CC1,NIMBYRMSGIIUDB-UHFFFAOYSA-N
-rxn:4:219905:224322,CC1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCN(C5CCC5)CC4)c(C#N)c3)cc2)CC1,ODITYHXXAUPOJW-UHFFFAOYSA-N
-rxn:4:219909:223671,Cn1cnc(N2CCC(Oc3ccncc3-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)C2)cc1=O,OXJWCNYKIFVUEZ-UHFFFAOYSA-N
-rxn:4:219929:224754,CC(C)N1CCN(C(=O)c2cnn(C)c2-c2ccccc2S(=O)(=O)N2CCCCC2)CC1,XRMGYHBPJVIYCQ-UHFFFAOYSA-N
-rxn:4:219956:223671,Cc1ncnc(N2CCC(Oc3ccncc3-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)C2)c1C,HSMGEBBVIWFORF-UHFFFAOYSA-N
-rxn:4:219975:223595,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(N4CCOC(C(=O)N5CCCCC5)C4)nc3)cc2F)CC1,OBKDUUAANRHFBQ-UHFFFAOYSA-N
-rxn:4:219978:223712,COc1ccc(-c2cccc(CN3CCN(c4nccc(C)n4)CC3)c2)cc1C12CC3CC(CC(C3)C1)C2,DQJLFZLRVKETKB-UHFFFAOYSA-N
-rxn:4:219988:222963,CCCNC(=O)Cc1ccc(-c2cnc(N3CCCC(C(=O)N4CCOCC4)C3)nc2)cc1,ITSLLXWKPUIFNK-UHFFFAOYSA-N
-rxn:4:220038:223983,CCN1CCN(S(=O)(=O)c2ccccc2-c2nnc3n2CCN(C(=O)OC(C)(C)C)C3)CC1,LRSYNTRQPSATSF-UHFFFAOYSA-N
-rxn:4:220118:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3ccc4nc(OC5CCN(c6ncc(F)cn6)CC5)sc4c3)c2Cl)CC1,KFODPCFOJKSTMA-UHFFFAOYSA-N
-rxn:4:220133:224362,CCN(CC)S(=O)(=O)c1ccc(OC)c(-c2ccccc2S(=O)(=O)N2C3CCC2CC(n2nccn2)C3)c1,BAGCIDGQBLMOBB-UHFFFAOYSA-N
-rxn:4:220134:223768,CC(C)(C)OC(=O)n1cc(-c2ccccc2S(=O)(=O)N2C3CCC2CC(n2ccnn2)C3)c2ccc(C#N)cc21,HAKQGOZTIMDVTO-UHFFFAOYSA-N
-rxn:4:220150:224970,CC(C)(C)[Si](C)(C)Sc1ccc(-c2ccc3c(N4CC(C(=O)N5CCSCC5)CC4=O)[nH]nc3c2)cc1,PBPYGCMQGWQNAD-UHFFFAOYSA-N
-rxn:4:220161:225897,COc1cccc(N2C(=O)C3N=NN(c4ccc(-c5ccccc5COCC(F)(F)F)c(C)c4)C3C2=O)c1,LYRCQWICFTYLDI-UHFFFAOYSA-N
-rxn:4:220205:226259,CCCCOc1ccc(-c2ccc3nc(N4CCOC(C(=O)N5CCOCC5)C4)ncc3c2)cc1Cl,VXEPUIDTDTUNBF-UHFFFAOYSA-N
-rxn:4:220221:225975,CN1CCN(C(=O)c2cc3n(n2)CC(c2ccc(-c4ccnc(N5CCOCC5)c4Cl)cc2)OC3)CC1,JWZNGCWHWJWVQC-UHFFFAOYSA-N
-rxn:4:220536:223999,CC1CCN(S(=O)(=O)c2ccc(F)c(-c3ccc4ncnc(N5CCN(C6CCC6)CC5)c4c3)c2)CC1,PDNXXHSJALGCEQ-UHFFFAOYSA-N
-rxn:4:220537:223999,CC1CCN(S(=O)(=O)c2ccc(F)c(-c3ccc4nc(N5CCN(C6CCC6)CC5)ncc4c3)c2)CC1,OIKZVWGVPXRJRE-UHFFFAOYSA-N
-rxn:4:221099:224760,Cn1cc(C(=O)N2CCCC(COc3ncc(-c4ccc(S(=O)(=O)N5CCCCC5)cc4)cn3)C2)c(C(F)F)n1,HVVWNHXARAVJHU-UHFFFAOYSA-N
-rxn:4:221112:224213,CCOc1ccc(-c2cc(F)ccc2OCc2cccc(F)c2)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N(C)C)n2)CC1,JPJNVRCFXBILNS-UHFFFAOYSA-N
-rxn:4:221114:226755,CCOc1ccc(-c2cc(C(=O)OC)c(F)cc2Cl)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N3CCCC3)n2)CC1,YHXYXFMTEJIXKY-UHFFFAOYSA-N
-rxn:4:221175:222476,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4ccc(Cl)c(C(=O)NCc5cccc(C)c5)c4)cn3)C2)C(=O)C1=O,LRPQMECPKMSTHZ-UHFFFAOYSA-N
-rxn:4:221175:228793,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4cc(Cl)cc(OC)c4)cn3)C2)C(=O)C1=O,GAKGMLPBWBIPQM-UHFFFAOYSA-N
-rxn:4:221179:224179,CN1CCN(CCOc2ccc(-c3cnc(OCC4CCCN(c5ccnc(C6CC6)n5)C4)nc3)cc2)CC1,NZWUMGGPGHHOIM-UHFFFAOYSA-N
-rxn:4:221191:222632,Cc1cc(N2CCCC(COc3ncc(-c4cccc(C(=O)NCCN5CCCC5)c4)cn3)C2)nc(C2CC2)n1,MVYIDEXSYKQELZ-UHFFFAOYSA-N
-rxn:4:221195:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(C(=O)N4CCC(Cn5nc(-n6cccn6)ccc5=O)CC4)cc3)c2)CC1,NMMPKQXDYBVABB-UHFFFAOYSA-N
-rxn:4:221205:223993,Cc1cc(-c2ccc(CCN3CCN(c4ccnc(N5CCOCC5)n4)CC3)cc2)ccc1S(=O)(=O)N1CCN(C)CC1,JQAXIUCXGTZRCL-UHFFFAOYSA-N
-rxn:4:221207:223239,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4cncc(C5CCCN5)c4)cc3)CC2)n1,IMHIFQWMZUXDGF-UHFFFAOYSA-N
-rxn:4:221214:222883,CCN(CC)C(=O)Cn1c(-c2ccc(C(=O)NC(C)(C)C)cc2Cl)nc2c1c(=O)n(C)c(=O)n2C,PCLSRMXHCGZEDM-UHFFFAOYSA-N
-rxn:4:221230:225543,CCCCC(=O)c1ccc(F)c(-c2cnc(OCC3CCCN(c4nc5c(cc4C#N)CCC5)C3)nc2)c1,FJDRCVSQBQJTFO-UHFFFAOYSA-N
-rxn:4:221245:225186,Cc1nc2ccc(OCC3CCN(C(=O)c4cncc(-c5ccc(F)c(CN6CCSCC6)c5)c4)CC3)nn2c1C,VAGHNGHAWBOYGY-UHFFFAOYSA-N
-rxn:4:221353:223522,CC(C)(C)[Si](C)(C)OC1CCN(c2cc(F)cc(-c3cncc(C(=O)N4CCC(n5cc(C6CC6)nn5)C4)c3)c2)CC1,LHZDOTPFZOLXAX-UHFFFAOYSA-N
-rxn:4:221360:223840,COc1ccc(-c2cnc(OC3CCCN(S(=O)(=O)c4cn(C)cn4)C3)nc2)cc1S(=O)(=O)N1CCN(C)CC1,TXTNIGHHPKXNOX-UHFFFAOYSA-N
-rxn:4:221360:224773,Cc1cc(-c2cnc(OC3CCCN(S(=O)(=O)c4cn(C)cn4)C3)nc2)ccc1S(=O)(=O)N1CCCC1,UZNAQPTYOHBZNG-UHFFFAOYSA-N
-rxn:4:221380:222623,CCC(C)c1cc(-c2cncc(C(=O)N3CCC(n4nc(C(F)(F)F)n(C)c4=O)CC3)c2)cc(C2CCNCC2)n1,KIYAJHJAEDNLDL-UHFFFAOYSA-N
-rxn:4:221390:223884,COc1nc(N2CCC(N(C)c3ccccn3)CC2)ncc1-c1ccc2c(c1)CCN(C(=O)OC(C)(C)C)C2,YBFLVZFEQBVRMW-UHFFFAOYSA-N
-rxn:4:221416:223103,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCCCC5)nn4)CC3)o2)s1,NVCCELHZJJRDQY-UHFFFAOYSA-N
-rxn:4:221420:224250,CC1CCCCN1C(=O)c1ccc(F)c(-c2ccccc2C(=O)N2CCN(c3ccc(N4CCOCC4)nn3)CC2)c1,IQPJOZYHRSDJMY-UHFFFAOYSA-N
-rxn:4:221423:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3ccccc3CN3CCN(c4ccc(N5CCOCC5)nn4)CC3)cc2)CC1,OMILOWZXNGFRQM-UHFFFAOYSA-N
-rxn:4:221424:222852,OC1CCN(Cc2cccc(-c3cccc(CN4CCN(c5ccc(N6CCOCC6)nn5)CC4)c3)c2)CC1,FNABKCYRRXYGCO-UHFFFAOYSA-N
-rxn:4:221425:224075,CC(C)(C)[Si](C)(C)n1ccc2ccc(-c3cccc(CN4CCN(c5nccc(N6CCOCC6)n5)CC4)c3)cc21,VWNPBGVKRWBYFC-UHFFFAOYSA-N
-rxn:4:221428:222983,OC1CCN(Cc2cccc(-c3ccc(CN4CCN(c5ccc(N6CCOCC6)nn5)CC4)cc3)c2)C1,IBNZBVPPHMHXLC-UHFFFAOYSA-N
-rxn:4:221439:224082,CCC(C(=O)OC(C)(C)C)c1cccc(-c2ccc(Cl)c(C(=O)N3CCN(c4ccc(N5CCCCC5)nn4)CC3)c2)c1,ZNUWFZLDJNHMPQ-UHFFFAOYSA-N
-rxn:4:221447:224759,Cc1cc(N2CCN(Cc3ccc(-c4cc(F)cc(C(=O)N5CCOCC5)c4)cc3)CC2)nc(N2CCOCC2)n1,JOJZCFKGUDIBHI-UHFFFAOYSA-N
-rxn:4:221448:223170,Cc1nc(N2CCOCC2)cc(N2CCN(Cc3ccc(-c4cnc(C5CCCNC5)nc4)cc3)CC2)n1,SDDCUSMZAHDMJR-UHFFFAOYSA-N
-rxn:4:221450:223812,Cc1cc(-n2nnc(C(=O)N3CCN(c4ccccc4C)CC3)c2C)ccc1-c1cc(F)cc(CN2CCC3(CC2)OCCO3)c1,IBBKYPHPZPUIDA-UHFFFAOYSA-N
-rxn:4:221498:223904,CC(C)(C)OC(=O)N1CCN(c2ncnc3[nH]cc(-c4cccc(C5CN(C(=O)OC(C)(C)C)C5)c4)c23)CC1,VHNXTPFDWLFUNM-UHFFFAOYSA-N
-rxn:4:221553:224780,CCCCn1c(=O)c2c(nc3n2CCCN3c2ccc(-c3ccc(C4CCOC4)c(C(F)(F)F)c3)cc2)n(C)c1=O,VSMZZEYWVSQIQS-UHFFFAOYSA-N
-rxn:4:221608:223522,CC(C)(C)[Si](C)(C)OC1CCN(c2cc(F)cc(-c3cncc(C(=O)N4CCC(n5ccnn5)CC4)c3)c2)CC1,QRKIZAPXQKNXHW-UHFFFAOYSA-N
-rxn:4:221641:223579,CC1CN(C(=O)OC(C)(C)C)CCN1c1ccc(-c2cnc(N3CCC(n4nc(C5CC5)ccc4=O)CC3)nc2)cc1,RUIAGQWLESJGKK-UHFFFAOYSA-N
-rxn:4:221642:223056,O=C1CN(C2CCN(c3ncc(-c4ccc(N5CCC(O)CC5)nc4)cn3)CC2)C(=O)N1C1CC1,IIVBIWBEFAQPKE-UHFFFAOYSA-N
-rxn:4:221642:226612,O=C1CN(C2CCN(c3ncc(-c4cnc(N5CCCCC5)nc4)cn3)CC2)C(=O)N1C1CC1,QKHBHGBXYNBORM-UHFFFAOYSA-N
-rxn:4:221727:225271,COC(=O)c1cc(OC)c(OC)cc1-c1cncc(C(=O)N2CCN(c3cc4c(nn3)CCCC4)CC2)c1,VLYKBOIEBOVJPO-UHFFFAOYSA-N
-rxn:4:221777:224397,CC1CN(c2ccc(-c3ccc(S(=O)(=O)N4CCC(=O)CC4)cc3)cc2)c2nc3c(c(=O)n(Cc4ccc(Cl)cc4)c(=O)n3C)n2C1,QUAHJJZOAMJJNQ-UHFFFAOYSA-N
-rxn:4:221916:222677,CCc1noc(-c2cn(C3CCN(C(=O)Cc4ccc(-c5ccc(F)cc5CNC(=O)OC(C)(C)C)cc4)CC3)nn2)n1,ZLGOZKQLBKBJDF-UHFFFAOYSA-N
-rxn:4:221920:224241,CCOc1ccc(-c2ccc(COc3cccc(F)c3F)cc2)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N3CCN(C)CC3)n2)CC1,JXULJZIZIGEMLH-UHFFFAOYSA-N
-rxn:4:221938:223945,Cn1cc(C(=O)N2CCCC(COc3ncc(-c4ccc(OCCCN5CCOCC5)c(F)c4)cn3)C2)nn1,YLAAINRCSNCTKY-UHFFFAOYSA-N
-rxn:4:221943:225338,O=C1CCCN1Cc1cn(C2CN(C(=O)c3cncc(-c4ccc(F)c(COCC(F)(F)F)c4)c3)C2)nn1,PNLAROQPNSXRHO-UHFFFAOYSA-N
-rxn:4:221952:223832,COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1-c1ccc(CC(=O)N2CCC(n3cc(-c4nc(C)no4)nn3)CC2)cc1,XEWRCPVUIIWTCO-UHFFFAOYSA-N
-rxn:4:221976:222986,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5cccc(-c6cc(C)nc(C7CCCNC7)c6)c5)no4)C3C2=O)cc1,GMXKJQAZDKYESU-UHFFFAOYSA-N
-rxn:4:221988:223696,CCCCn1c2c(=O)n(C)c(=O)n(C)c2n2c(-c3cc(-c4ccc(S(=O)(=O)N5CCC6(CC5)OCCO6)cc4)ccc3OC)nnc12,XQKWPWJJSPPJDC-UHFFFAOYSA-N
-rxn:4:222048:223831,COc1ccc(-c2ccc(C(=O)N3CCN(c4ccc(-n5nc(C)c(C)c5C)nn4)CC3)o2)cc1S(=O)(=O)N1CCC(C)CC1,WVGUOGUMGBGPQF-UHFFFAOYSA-N
-rxn:4:222060:222645,Cc1nn(-c2ccc(N3CCN(S(=O)(=O)c4ccc(-c5cccc(OCCN6CCC(O)CC6)c5)cc4)CC3)nn2)c(C)c1C,GNZQEAUEQXEROW-UHFFFAOYSA-N
-rxn:4:222062:228016,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(C5CCCC5)cs4)cc3)CC2)n1,MRHNHHUYZRDTHQ-UHFFFAOYSA-N
-rxn:4:222087:224481,O=C1C2N=NN(Cc3nc(-c4ccccc4-c4ccc(OCCCN5CCCC5)cc4)no3)C2C(=O)N1c1ccc(F)cc1,GSXPLPYYLTVWEZ-UHFFFAOYSA-N
-rxn:4:222167:224379,Cc1nc(C2CC2)nc(N2CCN(c3ncc(-c4ccccc4S(=O)(=O)N4CCN(C)CC4)cn3)CC2)c1C,CMLSRYAQDPMNSE-UHFFFAOYSA-N
-rxn:4:222282:223499,COc1cccc(-n2nnc3c(N4CCN(C(=O)c5ccccc5-c5ccc(Cl)c(C(=O)N6CCN(C(=O)OC(C)(C)C)CC6)c5)CC4)ncnc32)c1,DGQGQHNRIGTYPF-UHFFFAOYSA-N
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-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:4:222461:185525,CC(C)C(=O)N(c1ccc2oc(=O)sc2c1)S(=O)(=O)c1ccc(-c2c(F)cc(F)c3sc(NC(=O)OC(C)(C)C)nc23)cc1,HXQFOLRNBUNIJP-UHFFFAOYSA-N
-rxn:4:222513:178497,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1ccc(OC)c(S(=O)(=O)C23CC(C2)C3)c1,VUUITSOSCQMJCC-UHFFFAOYSA-N
-rxn:4:222514:174522,COc1ccc(-c2ccc(C#C[Si](C(C)C)(C(C)C)C(C)C)cc2)cc1S(=O)(=O)NC1CCCCC1,YMYGAQFFEKCOPF-UHFFFAOYSA-N
-rxn:4:222541:218824,CN(CC1CN(c2ncc(-c3ccc(C(=O)NCCN4CCCCC4)cc3)cn2)C1)S(=O)(=O)C1CC1,PDFIYIKTXBCRIR-UHFFFAOYSA-N
-rxn:4:222581:185317,CC(C)NS(=O)(=O)c1ccc(-c2cc(C3CN(C(=O)OC(C)(C)C)C3)ccc2C2CC2)c2ccccc12,XUOXZNLFEROYPS-UHFFFAOYSA-N
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-rxn:4:222943:219905,N#Cc1cc(-c2ccc(F)c(S(=O)(=O)NC3CC3)c2)cnc1N1CCN(C2CCC2)CC1,MWDGSPIHZVEAND-UHFFFAOYSA-N
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-rxn:4:223582:178175,COC(=O)c1ccc2cc(-c3ccc(C4(C(=O)OC)CCCC4)cc3)n(C(=O)OC(C)(C)C)c2c1,BWQHATBLXXLFOZ-UHFFFAOYSA-N
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-rxn:5:177190:223054:226343,CCS(=O)(=O)Cc1ccc(-c2ccc(OC3CCOC3)cc2)c(-c2ccc(C(C)N3CCC(O)C3)s2)c1,FYFQTRROJSYYDE-UHFFFAOYSA-N
-rxn:5:177448:225927:225800,COc1ccc(-c2cc(C(F)(F)F)ccc2N(C)C)c(OC(C)C)c1-c1ccc(C(=O)N2CCSC2)cc1,WPRZDSCJXJYOSJ-UHFFFAOYSA-N
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-rxn:5:177732:223056:225834,CC(C)(C)OC(=O)c1ccc(-c2ccc(N3CCC(O)CC3)nc2)c(-c2cc(N3CCCCC3)ncc2F)c1,METFRZBQPRNKMS-UHFFFAOYSA-N
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-rxn:5:177732:223061:226658,CC(C)(C)OC(=O)c1ccc(-c2cc(C3CCNCC3)ncc2F)c(-c2ccc(N3CCCC3)nc2F)c1,HBEMAVDEQDBFJD-UHFFFAOYSA-N
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-rxn:5:177732:225439:223132,CC(c1cccc(-c2ccc(C(=O)OC(C)(C)C)cc2-c2cccc(N3CCNCC3)c2)c1)N1CCCC1,VZMWHNZTEXZUSH-UHFFFAOYSA-N
-rxn:5:177732:226664:223061,CC(C)(C)OC(=O)c1ccc(-c2cc(N3CCCC3)ncc2F)c(-c2cc(C3CCNCC3)ncc2F)c1,BSZTYPAXEQEVPO-UHFFFAOYSA-N
-rxn:5:177732:227404:223061,CC(C)(C)OC(=O)c1ccc(-c2cc(N3CCCCC3)cs2)c(-c2cc(C3CCNCC3)ncc2F)c1,QJQRQLDPBHMSIQ-UHFFFAOYSA-N
-rxn:5:177733:223054:226645,CC(c1ccc(-c2cc(C(=O)OC(C)(C)C)cc(-c3ccnc(N4CCOCC4)c3)c2)s1)N1CCC(O)C1,JJTOWCGGACKVNG-UHFFFAOYSA-N
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-rxn:5:177733:223056:226658,CC(C)(C)OC(=O)c1cc(-c2ccc(N3CCC(O)CC3)nc2)cc(-c2ccc(N3CCCC3)nc2F)c1,RFKSXCNXHIMEPH-UHFFFAOYSA-N
-rxn:5:177733:223056:226679,CC(C)(C)OC(=O)c1cc(-c2ccc(N3CCC(O)CC3)nc2)cc(-c2cnc(N3CCCC3)cc2F)c1,VXJUKYUSGZKDOY-UHFFFAOYSA-N
-rxn:5:177733:225638:223133,CC1CCN(c2ccc(-c3cc(C(=O)OC(C)(C)C)cc(-c4ccccc4N4CCNCC4)c3)cn2)CC1,SNYFXOQHFXNGQP-UHFFFAOYSA-N
-rxn:5:177733:225834:223056,CC(C)(C)OC(=O)c1cc(-c2ccc(N3CCC(O)CC3)nc2)cc(-c2cc(N3CCCCC3)ncc2F)c1,JHEFUXNJZLMRDV-UHFFFAOYSA-N
-rxn:5:177733:225872:223138,CC(C)(C)OC(=O)c1cc(-c2ccnc(C3CCNCC3)c2)cc(-c2cc(F)c(F)c(N3CCCC3)c2)c1,IZAXRUZWNVEYOH-UHFFFAOYSA-N
-rxn:5:177733:225982:223062,CC(C)(C)OC(=O)c1cc(-c2cnc(C3CCNCC3)cc2F)cc(-c2cnc(N3CCOCC3)cc2F)c1,ZFALHRBKCIDLDU-UHFFFAOYSA-N
-rxn:5:177734:223294:226662,Cc1cc(-c2csc(N3CCNCC3)n2)c(-c2ccc(N3CCN(C)CC3)s2)cc1C(=O)OC(C)C,IRRFJFCTOLKAAU-UHFFFAOYSA-N
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-rxn:5:177734:226794:225872,Cc1cc(-c2cnc(N3CCSCC3)nc2)c(-c2cc(F)c(F)c(N3CCCC3)c2)cc1C(=O)OC(C)C,CEXZZLKWUNDXRO-UHFFFAOYSA-N
-rxn:5:177736:223056:226664,CC(C)(C)OC(=O)c1ccc(-c2cc(N3CCCC3)ncc2F)c(-c2ccc(N3CCC(O)CC3)nc2)c1,LEWGQLZSLLKGLW-UHFFFAOYSA-N
-rxn:5:177736:223064:226664,CC(C)(C)OC(=O)c1ccc(-c2cc(N3CCCC3)ncc2F)c(-c2ccc(C3CCNCC3)nc2F)c1,MBPCYNPYUMQLMQ-UHFFFAOYSA-N
-rxn:5:177736:223065:225633,CC(C)(C)OC(=O)c1ccc(-c2ccc(N3CCCCCC3)nc2)c(-c2ccc(N3CCNCC3)cc2F)c1,IQJIHPFQQJSOJJ-UHFFFAOYSA-N
-rxn:5:177736:223065:226330,CC(c1ccc(-c2ccc(C(=O)OC(C)(C)C)cc2-c2ccc(N3CCNCC3)cc2F)s1)N1CCCC1,ZREDJCFIRZBABD-UHFFFAOYSA-N
-rxn:5:177736:225438:226679,CC(c1ccc(-c2cc(C(=O)OC(C)(C)C)ccc2-c2cnc(N3CCCC3)cc2F)cc1)N1CCCC1,LIYJKXLJGPQJLV-UHFFFAOYSA-N
-rxn:5:177736:225982:226330,CC(c1ccc(-c2ccc(C(=O)OC(C)(C)C)cc2-c2cnc(N3CCOCC3)cc2F)s1)N1CCCC1,QCZIVGYHUZTQDY-UHFFFAOYSA-N
-rxn:5:177736:226664:223061,CC(C)(C)OC(=O)c1ccc(-c2cc(C3CCNCC3)ncc2F)c(-c2cc(N3CCCC3)ncc2F)c1,HMNLFRBRDVSVQO-UHFFFAOYSA-N
-rxn:5:177737:223065:223056,CC(C)(C)OC(=O)c1cc(-c2ccc(N3CCC(O)CC3)nc2)ccc1-c1ccc(N2CCNCC2)cc1F,SJDMKIVIIMADEE-UHFFFAOYSA-N
-rxn:5:177737:223065:225636,CC1CCN(c2cc(-c3ccc(-c4ccc(N5CCNCC5)cc4F)c(C(=O)OC(C)(C)C)c3)ccn2)CC1,AQEZTISUGFUINZ-UHFFFAOYSA-N
-rxn:5:177737:225834:223061,CC(C)(C)OC(=O)c1cc(-c2cc(C3CCNCC3)ncc2F)ccc1-c1cc(N2CCCCC2)ncc1F,PEYVAMTUNTZLMP-UHFFFAOYSA-N
-rxn:5:177737:226330:223062,CC(c1ccc(-c2ccc(-c3cnc(C4CCNCC4)cc3F)cc2C(=O)OC(C)(C)C)s1)N1CCCC1,FWGNJMKFITZJJZ-UHFFFAOYSA-N
-rxn:5:177738:226139:225871,COc1cc(-c2cccc(N3C(=O)C=CC3=O)c2)c(-c2cc(C3CC3)cnc2C2CC2)cc1OC1CCC1,IQFNBPUGECICRJ-UHFFFAOYSA-N
-rxn:5:177739:223056:226658,CC(C)(C)OC(=O)c1cccc(-c2ccc(N3CCC(O)CC3)nc2)c1-c1ccc(N2CCCC2)nc1F,MEXVKCIPKXAVJC-UHFFFAOYSA-N
-rxn:5:177739:223062:226330,CC(c1ccc(-c2c(C(=O)OC(C)(C)C)cccc2-c2cnc(C3CCNCC3)cc2F)s1)N1CCCC1,BCAHBNMRLPXTMM-UHFFFAOYSA-N
-rxn:5:177739:223062:226658,CC(C)(C)OC(=O)c1cccc(-c2cnc(C3CCNCC3)cc2F)c1-c1ccc(N2CCCC2)nc1F,MHVYKRYYFGIZIF-UHFFFAOYSA-N
-rxn:5:177739:223062:226664,CC(C)(C)OC(=O)c1cccc(-c2cnc(C3CCNCC3)cc2F)c1-c1cc(N2CCCC2)ncc1F,UICJRQSYKDIJFV-UHFFFAOYSA-N
-rxn:5:177739:223062:226679,CC(C)(C)OC(=O)c1cccc(-c2cnc(C3CCNCC3)cc2F)c1-c1cnc(N2CCCC2)cc1F,URZCMZMRPYYMKT-UHFFFAOYSA-N
-rxn:5:177739:223064:226663,CC(C)(C)OC(=O)c1cccc(-c2ccc(C3CCNCC3)nc2F)c1-c1ccc(N2CCSCC2)nc1,RQGXDHPUQLMFGD-UHFFFAOYSA-N
-rxn:5:177739:223065:223294,CC(C)(C)OC(=O)c1cccc(-c2ccc(N3CCNCC3)cc2F)c1-c1csc(N2CCNCC2)n1,RLUXXELDCDHQSF-UHFFFAOYSA-N
-rxn:5:177739:223065:226663,CC(C)(C)OC(=O)c1cccc(-c2ccc(N3CCNCC3)cc2F)c1-c1ccc(N2CCSCC2)nc1,DICUHKHPBWKWRE-UHFFFAOYSA-N
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-rxn:5:177739:225833:223061,CC(C)(C)OC(=O)c1cccc(-c2ccnc(N3CCCCC3)c2F)c1-c1cc(C2CCNCC2)ncc1F,WBWCTCFYZZVFBM-UHFFFAOYSA-N
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-rxn:5:177739:226664:223056,CC(C)(C)OC(=O)c1cccc(-c2cc(N3CCCC3)ncc2F)c1-c1ccc(N2CCC(O)CC2)nc1,FRQLQBCQMYPLAD-UHFFFAOYSA-N
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-rxn:5:177850:223259:223064,CCOc1ccc(-c2cnc(NC(C)=O)cc2C)c(C2OCCO2)c1-c1ccc(C2CCNCC2)nc1F,NRAHTRYBHUQVQW-UHFFFAOYSA-N
-rxn:5:177850:223294:226733,CCOc1ccc(-c2csc(N3CCNCC3)n2)c(C2OCCO2)c1-c1ccc(S(=O)(=O)N(C)C)cc1,MBGDCQAAISMEMD-UHFFFAOYSA-N
-rxn:5:177851:225976:227710,CCOc1c(-c2ccc(OS(C)(=O)=O)cc2)cc(C2OCCO2)cc1-c1ccnc(N2CCOCC2)c1F,XEBAJQIISKZZPN-UHFFFAOYSA-N
-rxn:5:177891:223146:226649,O=C(SC1CS(=O)(=O)CC1c1cccnc1N1CCOCC1)c1ccccc1-c1cccc(C2CNCCO2)c1,DUYYVBZXTMZHJJ-UHFFFAOYSA-N
-rxn:5:177891:226583:226685,O=C(SC1CS(=O)(=O)CC1c1cnc(C2CCOCC2)nc1)c1ccccc1-c1ccc(CN2CCOCC2)s1,JAIUPMCPQKYTBP-UHFFFAOYSA-N
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-rxn:5:177891:227437:225465,CN1CCC(c2cccc(C3CS(=O)(=O)CC3SC(=O)c3ccccc3-c3ccnc(C4CCCO4)c3)c2)CC1,PRFIMZONFFUOAD-UHFFFAOYSA-N
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-rxn:5:177970:223001:227804,O=[N+]([O-])c1cc(-c2cc(OCC3CCCC3)cc(-c3cc(C4CCCNC4)ccc3F)c2)c([N+](=O)[O-])s1,PXHOEXBTBWGUBP-UHFFFAOYSA-N
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-rxn:5:178118:225832:228417,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2ccc(F)c(C(F)F)c2)cc1OCC1CCCCO1,IQDHFMUDZFNNAW-UHFFFAOYSA-N
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-rxn:5:178121:227771:225446,Cc1cc(OC2CCCC2)cc(-c2cccc(OCC3CCOCC3)c2-c2ccc(OC(F)(F)F)nc2)c1,XPNOSKIHOQLDKN-UHFFFAOYSA-N
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-rxn:5:178122:226593:223139,CC(C)Oc1ccc(F)c(-c2ccc(COC3CCCCO3)c(-c3ccc(C4CCNCC4)nc3)c2)c1F,DTJGERLEUIKKAS-UHFFFAOYSA-N
-rxn:5:178224:225451:226153,COc1cc(C)c(-c2cc(OCC3CCCCC3)cc(-c3ccc(SC4CCCCC4)cc3)c2)cc1C1CC1,NBFOQCBIVGPPKL-UHFFFAOYSA-N
-rxn:5:178224:225595:227804,O=[N+]([O-])c1cc(-c2cc(OCC3CCCCC3)cc(-c3ccc(F)c(CN4CCCC4)c3)c2)c([N+](=O)[O-])s1,DAOKLCZSHMXVRP-UHFFFAOYSA-N
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-rxn:5:178295:225407:228512,CC#Cc1cccc(-c2ccc(-c3ccc(C4CCCCCC4)cc3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,CSEWFAHJFNULLE-UHFFFAOYSA-N
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-rxn:5:178295:226190:228557,COCc1cccc(-c2ccc(-c3ccc(C4CCCC4)cc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,GKAFNMFAQMXKQI-UHFFFAOYSA-N
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-rxn:5:178295:226974:226916,COC(=O)C1(c2cc(-c3cccc(C4=CCCC4)c3)ccc2-c2ccc3c(c2)COC3(C)C)CCC(=O)CC1,LSKUMPOHVAMZMA-UHFFFAOYSA-N
-rxn:5:178295:227022:225886,COC(=O)C1(c2cc(-c3ccc4c(ccn4S(C)(=O)=O)c3)ccc2-c2ccc(CN3CCC3)cc2)CCC(=O)CC1,WXPDAMSCFBZGPX-UHFFFAOYSA-N
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-rxn:5:178295:227103:227922,CCc1cc(OC)ccc1-c1ccc(-c2sccc2C2CCCCC2)c(C2(C(=O)OC)CCC(=O)CC2)c1,HGXXLTFOBPWWTL-UHFFFAOYSA-N
-rxn:5:178295:227107:227815,CCC(C)c1ccccc1-c1ccc(-c2cc(C)cc(C3CC3)c2F)c(C2(C(=O)OC)CCC(=O)CC2)c1,OFFKQNGIRCOHFK-UHFFFAOYSA-N
-rxn:5:178295:227108:227940,CCc1cc(SC)cc(-c2ccc(-c3cc(C4CCC4)ccc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,KDVPCPUUIDZRRB-UHFFFAOYSA-N
-rxn:5:178295:227312:227942,CCc1ccc(-c2ccc(-c3ccc(C(C)CC)nc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(OC)c1,LKTSPQUOLHVLOE-UHFFFAOYSA-N
-rxn:5:178295:227330:227989,CC#Cc1ccc(F)c(-c2ccc(-c3ccc(C(=O)OC)cc3C)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,VMFJYPLKBAAAEW-UHFFFAOYSA-N
-rxn:5:178295:227338:228564,CCC(C)c1ccc(-c2ccc(-c3cc(OC(C)C)ccc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)s1,XBTDYTLTGHMODP-UHFFFAOYSA-N
-rxn:5:178295:227525:228431,CCc1cnc(C(F)F)cc1-c1ccc(-c2cc(F)cc(F)c2SC)cc1C1(C(=O)OC)CCC(=O)CC1,NLSLZIMQLBNQGK-UHFFFAOYSA-N
-rxn:5:178295:227554:227989,CC#Cc1ccc(F)c(-c2ccc(-c3cccc(F)c3C(=O)OC)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,KUXGROMAGGKFTF-UHFFFAOYSA-N
-rxn:5:178295:227713:227907,CCC(C)c1cncc(-c2ccc(-c3cc(F)ccc3OC(F)F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,CMZNSNJXCCVEMR-UHFFFAOYSA-N
-rxn:5:178295:227818:227108,CCC(C)c1cccc(-c2ccc(-c3cc(C4CCC4)ccc3F)cc2C2(C(=O)OC)CCC(=O)CC2)c1,QTPZTLSFFMPVBA-UHFFFAOYSA-N
-rxn:5:178295:227823:227568,COC(=O)C1(c2cc(-c3c(F)cc(OC)cc3OC)ccc2-c2ccccc2C(C)(C)C)CCC(=O)CC1,OWAKCPPWBZCKQT-UHFFFAOYSA-N
-rxn:5:178295:227830:227052,COC(=O)C1(c2cc(-c3ccc(SC(C)(C)C)cc3)ccc2-c2ccc(C3(C)CC3)cc2)CCC(=O)CC1,NJUFWWGKBXBQCK-UHFFFAOYSA-N
-rxn:5:178295:227831:226971,CCc1c(C)cc(-c2ccc(-c3ccc4c(c3)CCCOC4)cc2C2(C(=O)OC)CCC(=O)CC2)cc1C,CUKUOMMTPOKYRV-UHFFFAOYSA-N
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-rxn:5:178295:228016:228179,COCc1cc(F)cc(-c2ccc(-c3cc(C4CCCC4)cs3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,ZGZAYECTLZIDMM-UHFFFAOYSA-N
-rxn:5:178295:228108:227052,CCc1ncc(C#N)cc1-c1ccc(-c2ccc(SC(C)(C)C)cc2)cc1C1(C(=O)OC)CCC(=O)CC1,WGSNDQKMNLZMHO-UHFFFAOYSA-N
-rxn:5:178295:228179:226973,COCc1cc(F)cc(-c2ccc(-c3ccc4c(c3)C(C)(C)CO4)cc2C2(C(=O)OC)CCC(=O)CC2)c1,KVFUQTFSMBIBGF-UHFFFAOYSA-N
-rxn:5:178295:228189:227330,CCSc1ccc(F)c(-c2ccc(-c3ccc(C(=O)OC)cc3C)cc2C2(C(=O)OC)CCC(=O)CC2)c1,UUCZSMBYFHMWEQ-UHFFFAOYSA-N
-rxn:5:178295:228195:227921,COC(=O)C1(c2cc(-c3cccc(C(C)OC)c3)ccc2-c2cn(C(C)(C)C)nc2C)CCC(=O)CC1,DUNNIUUWDLEBFL-UHFFFAOYSA-N
-rxn:5:178295:228558:226153,CCSc1cccc(-c2ccc(-c3cc(C4CC4)c(OC)cc3C)cc2C2(C(=O)OC)CCC(=O)CC2)c1,UPGPJIGPVVJEMR-UHFFFAOYSA-N
-rxn:5:178295:228560:226750,CCSc1ccccc1-c1ccc(-c2cc(C(F)(F)F)ccc2OC)cc1C1(C(=O)OC)CCC(=O)CC1,NHHZCZSKYVDCDV-UHFFFAOYSA-N
-rxn:5:178295:228564:227072,CCC(C)c1ccc(-c2ccc(-c3ccc(C4CC4)cc3OC)cc2C2(C(=O)OC)CCC(=O)CC2)s1,PYQIRSBTHUSJHY-UHFFFAOYSA-N
-rxn:5:178295:228567:227045,CCC(C)c1sccc1-c1ccc(-c2cccc(SC(C)(C)C)c2)cc1C1(C(=O)OC)CCC(=O)CC1,FPVFLLXYCOZNKL-UHFFFAOYSA-N
-rxn:5:178295:228610:227076,CCC(C)c1ccc(F)c(-c2ccc(-c3ccc(C(C)(C)C)s3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,NCFAPLLUUJWYFU-UHFFFAOYSA-N
-rxn:5:178295:228631:227075,COC(=O)C1(c2cc(-c3cc(OC)cc(C(C)C)c3)ccc2-c2ccsc2C2CCC2)CCC(=O)CC1,LHTWAFBFPHGJMN-UHFFFAOYSA-N
-rxn:5:178295:229015:225451,COC(=O)C1(c2cc(-c3ccc(SC4CCCCC4)cc3)ccc2-c2ccsc2C(C)C)CCC(=O)CC1,GTGJZSRQTJSLAN-UHFFFAOYSA-N
-rxn:5:178313:225450:225453,CC(C)(C)[Si](C)(C)Oc1ccc(-c2ccc(C(=O)C3CCCC3)cc2)c(-c2cccc(SC3CCCCC3)c2)c1,CKDNVHFVWXHHAN-UHFFFAOYSA-N
-rxn:5:178313:225453:227048,CC(C)C(=O)c1ccc(-c2cc(O[Si](C)(C)C(C)(C)C)ccc2-c2cccc(SC3CCCCC3)c2)cc1,KCFLGKPZKCSCDD-UHFFFAOYSA-N
-rxn:5:178313:226059:226069,CC(C)c1ccc(-c2ccc(O[Si](C)(C)C(C)(C)C)cc2-c2cccc(C3CCCCC3)c2)c(C(C)C)c1,DPEUGOQVTZABOF-UHFFFAOYSA-N
-rxn:5:178313:226907:225451,CC(C)(C)[Si](C)(C)Oc1ccc(-c2cccc3c2CCC32CC2)c(-c2ccc(SC3CCCCC3)cc2)c1,KVLGBYAUKJUWNV-UHFFFAOYSA-N
-rxn:5:178313:227120:225394,CC(C)(C)[Si](C)(C)Oc1ccc(-c2ccc(C3CCC3)cc2F)c(-c2cc(C3CCC3)cc(C3CC3)c2)c1,PLTSOPAQAXJDPJ-UHFFFAOYSA-N
-rxn:5:178314:225407:227045,CC(C)(C)Sc1cccc(-c2ccc(-c3ccc(C4CCCCCC4)cc3)cc2O[Si](C)(C)C(C)(C)C)c1,IQSFGKVPWHMAPG-UHFFFAOYSA-N
-rxn:5:178314:227044:225394,CC(C)(C)[Si](C)(C)Oc1cc(-c2ccc(C(=O)C3CC3)cc2)ccc1-c1cc(C2CCC2)cc(C2CC2)c1,ZSKMFWDFENHRBC-UHFFFAOYSA-N
-rxn:5:178315:225394:225450,CC(C)(C)[Si](C)(C)Oc1cc(-c2ccc(C(=O)C3CCCC3)cc2)cc(-c2cc(C3CCC3)cc(C3CC3)c2)c1,NJNHGWMWCUORRC-UHFFFAOYSA-N
-rxn:5:178315:225472:227052,CC1CCCCN1c1cccc(-c2cc(O[Si](C)(C)C(C)(C)C)cc(-c3ccc(SC(C)(C)C)cc3)c2)c1,OMXYVQUSKLPNBA-UHFFFAOYSA-N
-rxn:5:178368:225639:226395,Cc1cc(S(=O)(=O)Oc2cc(C)c(-c3cncc(N4CCCCC4)c3)c(C)c2)c(C)cc1-c1cccnc1N1CCC(C)CC1,MRNAPHBVYOOZFS-UHFFFAOYSA-N
-rxn:5:178368:226182:223138,Cc1cc(S(=O)(=O)Oc2cc(C)c(-c3ccnc(C4CCNCC4)c3)c(C)c2)c(C)cc1-c1cccnc1C1CCCCC1,DLVLKBFKJKJPML-UHFFFAOYSA-N
-rxn:5:178466:223007:225976,CC(C)OC(=O)c1sc2cc(-c3cc(F)cc(C4CCNCC4)c3)ccc2c1-c1ccnc(N2CCOCC2)c1F,QUWDAEQGJSWYMS-UHFFFAOYSA-N
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-rxn:5:178466:223064:225834,CC(C)OC(=O)c1sc2cc(-c3ccc(C4CCNCC4)nc3F)ccc2c1-c1cc(N2CCCCC2)ncc1F,FKTOOOBKAHRITK-UHFFFAOYSA-N
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-rxn:5:178466:225600:223061,CC(C)OC(=O)c1sc2cc(-c3cccnc3OC3CCCCC3)ccc2c1-c1cc(C2CCNCC2)ncc1F,PNSDRPROUZZBSD-UHFFFAOYSA-N
-rxn:5:178466:225633:225980,CC(C)OC(=O)c1sc2cc(-c3ccc(N4CCCCCC4)nc3)ccc2c1-c1cc(N2CCOCC2)ncc1F,IBSPYQHNKGPDBH-UHFFFAOYSA-N
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-rxn:5:178466:225653:225833,CC(C)OC(=O)c1sc2cc(-c3ccc(N4CCCCC4C)nc3)ccc2c1-c1ccnc(N2CCCCC2)c1F,UQQPYADZEHFGMP-UHFFFAOYSA-N
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-rxn:5:178466:225978:225833,CC(C)OC(=O)c1sc2cc(-c3ccc(N4CCOCC4)nc3F)ccc2c1-c1ccnc(N2CCCCC2)c1F,DUWBWASMBQNJFX-UHFFFAOYSA-N
-rxn:5:178466:225978:225834,CC(C)OC(=O)c1sc2cc(-c3ccc(N4CCOCC4)nc3F)ccc2c1-c1cc(N2CCCCC2)ncc1F,ZQTXTPJDTCRXFU-UHFFFAOYSA-N
-rxn:5:178466:225978:225976,CC(C)OC(=O)c1sc2cc(-c3ccc(N4CCOCC4)nc3F)ccc2c1-c1ccnc(N2CCOCC2)c1F,MKKNBUFWWXORHF-UHFFFAOYSA-N
-rxn:5:178466:225978:225980,CC(C)OC(=O)c1sc2cc(-c3ccc(N4CCOCC4)nc3F)ccc2c1-c1cc(N2CCOCC2)ncc1F,CZXSFWSQIHPXTC-UHFFFAOYSA-N
-rxn:5:178466:225980:223056,CC(C)OC(=O)c1sc2cc(-c3cc(N4CCOCC4)ncc3F)ccc2c1-c1ccc(N2CCC(O)CC2)nc1,JRCXNKKBNBIWFQ-UHFFFAOYSA-N
-rxn:5:178466:225980:225849,CC(C)OC(=O)c1sc2cc(-c3cc(N4CCOCC4)ncc3F)ccc2c1-c1cnc(N2CCCCC2)cc1F,HQOBAGDQQOBKSZ-UHFFFAOYSA-N
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-rxn:5:178467:223242:226148,CCOC(=O)C1=Cc2cc(-c3cccc(C#C[Si](C)(C)C)c3)cc(-c3ccnc(C4CCNC4)c3)c2OC1,UKNHHXXDLZJJBS-UHFFFAOYSA-N
-rxn:5:178467:223281:225576,CCOC(=O)C1=Cc2cc(-c3ccc(N4CCCC4)c(C#N)c3)cc(-c3ccc(C4(O)COC4)nc3)c2OC1,KOWVLQJOAKJGEE-UHFFFAOYSA-N
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-rxn:5:178467:223378:225454,CCOC(=O)C1=Cc2cc(-c3ccc(C4=CCN(C)CC4)cc3)cc(-c3cnc4c(c3)NCCO4)c2OC1,ZISJTQPHMZHURD-UHFFFAOYSA-N
-rxn:5:178467:223435:225784,CCOC(=O)C1=Cc2cc(-c3ccc(CN4CCOCC4)nc3)cc(-c3ccc(C(=O)OC)[nH]3)c2OC1,WDFSNLFIDCEXNU-UHFFFAOYSA-N
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-rxn:5:178467:225833:223135,CCOC(=O)C1=Cc2cc(-c3cccnc3C3CCCNC3)cc(-c3ccnc(N4CCCCC4)c3F)c2OC1,NTNXUDLQYCWXPO-UHFFFAOYSA-N
-rxn:5:178467:225833:223137,CCOC(=O)C1=Cc2cc(-c3cncc(C4CCCNC4)c3)cc(-c3ccnc(N4CCCCC4)c3F)c2OC1,YWHXCKRNNDKJPS-UHFFFAOYSA-N
-rxn:5:178467:225834:223134,CCOC(=O)C1=Cc2cc(-c3cnccc3C3CCCNC3)cc(-c3cc(N4CCCCC4)ncc3F)c2OC1,DIFCQUZSZZNGCR-UHFFFAOYSA-N
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-rxn:5:178467:226664:226395,CCOC(=O)C1=Cc2cc(-c3cncc(N4CCCCC4)c3)cc(-c3cc(N4CCCC4)ncc3F)c2OC1,UUDWPGXWLLYAGN-UHFFFAOYSA-N
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-rxn:5:178467:226679:223239,CCOC(=O)C1=Cc2cc(-c3cncc(C4CCCN4)c3)cc(-c3cnc(N4CCCC4)cc3F)c2OC1,KOTCZRPYFBTBOE-UHFFFAOYSA-N
-rxn:5:178467:226794:223065,CCOC(=O)C1=Cc2cc(-c3ccc(N4CCNCC4)cc3F)cc(-c3cnc(N4CCSCC4)nc3)c2OC1,RWJSKNKNDGHMDO-UHFFFAOYSA-N
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-rxn:5:178467:227409:223138,CCOC(=O)C1=Cc2cc(-c3ccnc(C4CCNCC4)c3)cc(-c3cc(C(C)(C)C)ncc3F)c2OC1,MVBTZEQHBYNNFC-UHFFFAOYSA-N
-rxn:5:178467:228097:226426,CCOC(=O)C1=Cc2cc(-c3ccc(N4CCC(C)CC4)s3)cc(-c3cncc(CN(C)C)c3)c2OC1,OHANQKNRWYFBBF-UHFFFAOYSA-N
-rxn:5:178467:228245:222988,CCOC(=O)C1=Cc2cc(-c3cc(C)nc(C4CCNCC4)c3)cc(-c3ccc(C(C)=O)c(F)c3)c2OC1,JWEPQMXQKYXIRU-UHFFFAOYSA-N
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-rxn:5:178467:228974:225636,CCOC(=O)C1=Cc2cc(-c3ccnc(N4CCC(C)CC4)c3)cc(-c3cnn(S(C)(=O)=O)c3)c2OC1,RAXDPEVVYYFSHS-UHFFFAOYSA-N
-rxn:5:179418:225805:226330,CC(c1ccc(-c2ccc(CS(C)(=O)=O)cc2-c2ccc(C(C)N3CCOCC3)s2)s1)N1CCCC1,JPHBDBUGGMITNQ-UHFFFAOYSA-N
-rxn:5:180095:222405:225926,O=C1NC(=O)C(c2cccc(-c3ccc(-c4ccc(S(=O)(=O)N5CCC5)cc4)c(OC4CCCC4)c3)c2)N1,VLUIJHOMMKYDLO-UHFFFAOYSA-N
-rxn:5:180402:223284:225946,CC(=O)c1cc(-c2cc(-c3ccc(NS(C)(=O)=O)cc3)ccc2C(=O)C2CCCCC2)cc(C(F)(F)F)c1,UNDGRXYIROEGRO-UHFFFAOYSA-N
-rxn:5:180421:226129:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(CC2CCCCC2)cc1-c1cccc(CN2CCCC2)c1,WSOPRPHMFJANIS-UHFFFAOYSA-N
-rxn:5:180662:222989:223202,COC(=O)C1=Cc2cc(-c3ccc(C4(O)CCC4)cc3)cc(-c3ccc(N4CCNCC4)cc3C)c2OC1,IQMCWMBEYKWIEQ-UHFFFAOYSA-N
-rxn:5:180662:223139:226188,COC(=O)C1=Cc2cc(-c3cc(C)c([Si](C)(C)C)cc3C)cc(-c3ccc(C4CCNCC4)nc3)c2OC1,QYCGVPBAZFUDAI-UHFFFAOYSA-N
-rxn:5:180662:225982:227507,COC(=O)C1=Cc2cc(-c3cccc(C=C[N+](=O)[O-])c3)cc(-c3cnc(N4CCOCC4)cc3F)c2OC1,YJCPMIZUTLUYEJ-UHFFFAOYSA-N
-rxn:5:180662:226148:223142,COC(=O)C1=Cc2cc(-c3ccc(C4CCCNC4)nc3)cc(-c3cccc(C#C[Si](C)(C)C)c3)c2OC1,LCKURHODJREVAH-UHFFFAOYSA-N
-rxn:5:181621:225470:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2ccc(N3CCC(C)CC3)cc2)cc(C2OCCO2)c1,HXYORLUYSDNONL-UHFFFAOYSA-N
-rxn:5:181621:225832:223061,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2cc(C3CCNCC3)ncc2F)cc(C2OCCO2)c1,OXDLKQBQZOEFDD-UHFFFAOYSA-N
-rxn:5:181624:223065:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2ccc(N3CCNCC3)cc2F)ccc1C1OCCO1,PMUJYYIBEXJAPA-UHFFFAOYSA-N
-rxn:5:181624:225832:226426,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(C2OCCO2)c(-c2ccc(N3CCC(C)CC3)s2)c1,LKXXZYFXTMKHAA-UHFFFAOYSA-N
-rxn:5:181628:225832:225884,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2ccc(C3COCCO3)c(F)c2)c(C2OCCO2)c1,SQKWCBDFVULDJJ-UHFFFAOYSA-N
-rxn:5:181904:226686:225462,Cc1cnn(C2CCCCO2)c1-c1ccc(C2OCCO2)c(C)c1-c1cccc(N2CCC(C)CC2)c1,CZVCWDZIXHTIGJ-UHFFFAOYSA-N
-rxn:5:181904:226686:225594,Cc1cnn(C2CCCCO2)c1-c1ccc(C2OCCO2)c(C)c1-c1ccc(F)cc1CN1CCCC1,QNHLQAGAXRJUSZ-UHFFFAOYSA-N
-rxn:5:181905:222958:225438,Cc1ccc(-c2c(C)ccc(-c3ccc(C(C)N4CCCC4)cc3)c2C2OCCO2)cc1C1CCNCC1,XYKMBCBPPGZHBP-UHFFFAOYSA-N
-rxn:5:181905:225439:225655,Cc1ccc(-c2cncc(N3CCC(C)CC3)c2)c(C2OCCO2)c1-c1cccc(C(C)N2CCCC2)c1,OMEQAUILYBYRFB-UHFFFAOYSA-N
-rxn:5:181906:225472:225656,Cc1ccc(-c2cccc(N3CCCCC3C)c2)c(C2OCCO2)c1-c1cncc(N2CCCCC2C)c1,ZYHRRVPSRANGOR-UHFFFAOYSA-N
-rxn:5:181907:225407:225784,Cc1cc(-c2ccc(C3CCCCCC3)cc2)c(-c2ccc(CN3CCOCC3)nc2)c(C2OCCO2)c1,ZYCHVGFEUNCIGO-UHFFFAOYSA-N
-rxn:5:181907:225472:225655,Cc1cc(-c2cccc(N3CCCCC3C)c2)c(-c2cncc(N3CCC(C)CC3)c2)c(C2OCCO2)c1,YCKQSYQGXUISSE-UHFFFAOYSA-N
-rxn:5:181907:226179:225607,Cc1cc(-c2cncc(C3CCCCC3)c2)c(-c2ccc(C(C)N3CCCCC3)s2)c(C2OCCO2)c1,OQAWICBFVIXREL-UHFFFAOYSA-N
-rxn:5:181907:226382:225805,Cc1cc(-c2cnc(C3CCCCC3)nc2)c(-c2ccc(C(C)N3CCOCC3)s2)c(C2OCCO2)c1,HZFYWKGOKQMHQQ-UHFFFAOYSA-N
-rxn:5:181907:226686:225653,Cc1cc(-c2c(C)cnn2C2CCCCO2)c(-c2ccc(N3CCCCC3C)nc2)c(C2OCCO2)c1,YURBMYJYXXTICM-UHFFFAOYSA-N
-rxn:5:181908:222988:225439,Cc1cc(-c2cc(C)c(C3OCCO3)cc2-c2cccc(C(C)N3CCCC3)c2)cc(C2CCNCC2)n1,DVGCDDMCGBKCST-UHFFFAOYSA-N
-rxn:5:181908:225469:222956,Cc1ccc(-c2cc(C3OCCO3)c(C)cc2-c2ccc(N3CCCC(C)C3)cc2)c(C2CCCNC2)c1,DSJVURBCPFOKRC-UHFFFAOYSA-N
-rxn:5:181908:225514:225832,Cc1cc(-c2cccc3c2OCC2(CC2)CO3)c(-c2c(C)nn(C3CCCCO3)c2C)cc1C1OCCO1,FESNMYVAHCHRNS-UHFFFAOYSA-N
-rxn:5:181908:225633:222958,Cc1ccc(-c2cc(C3OCCO3)c(C)cc2-c2ccc(N3CCCCCC3)nc2)cc1C1CCNCC1,SQVOIXDYQZHIGR-UHFFFAOYSA-N
-rxn:5:181908:225636:225655,Cc1cc(-c2ccnc(N3CCC(C)CC3)c2)c(-c2cncc(N3CCC(C)CC3)c2)cc1C1OCCO1,GMKQSLWBZYHJBJ-UHFFFAOYSA-N
-rxn:5:181908:225683:225514,Cc1cc(-c2ccc(C3CCCOC3)nc2C)c(-c2cccc3c2OCC2(CC2)CO3)cc1C1OCCO1,QBLHHUIITMNKTK-UHFFFAOYSA-N
-rxn:5:181908:226426:226686,Cc1cc(-c2ccc(N3CCC(C)CC3)s2)c(-c2c(C)cnn2C2CCCCO2)cc1C1OCCO1,AHTKAYNMVGJTPP-UHFFFAOYSA-N
-rxn:5:181908:226444:225832,Cc1cc(-c2ccc(C3CCCO3)nc2C)c(-c2c(C)nn(C3CCCCO3)c2C)cc1C1OCCO1,MRPVFKZMXRFPDY-UHFFFAOYSA-N
-rxn:5:181908:226686:225470,Cc1cc(-c2c(C)cnn2C2CCCCO2)c(-c2ccc(N3CCC(C)CC3)cc2)cc1C1OCCO1,OYSWLXYSUAMVAM-UHFFFAOYSA-N
-rxn:5:182009:225832:223135,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2cccnc2C2CCCNC2)cc1C1CCOCC1,STYDXDFMHYLBBF-UHFFFAOYSA-N
-rxn:5:182009:226183:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2cnccc2C2CCCCC2)c(C2CCOCC2)c1,QLQWPXCWNVYUJO-UHFFFAOYSA-N
-rxn:5:182009:226374:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2cncnc2C2CCCCC2)c(C2CCOCC2)c1,JBJLCUVIAISTFU-UHFFFAOYSA-N
-rxn:5:182009:226583:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(-c2ccc(CN3CCOCC3)s2)c(C2CCOCC2)c1,JAQPMPJRJZIRDZ-UHFFFAOYSA-N
-rxn:5:182010:222957:225438,Cc1cc(-c2cc(-c3ccc(C(C)N4CCCC4)cc3)ccc2C2CCOCC2)cc(C2CCCNC2)c1,UPSSYTIUJDUTTA-UHFFFAOYSA-N
-rxn:5:182010:222958:225655,Cc1ccc(-c2cc(-c3cncc(N4CCC(C)CC4)c3)ccc2C2CCOCC2)cc1C1CCNCC1,ZIIHLSPDIPFJEP-UHFFFAOYSA-N
-rxn:5:182010:225469:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(C2CCOCC2)c(-c2ccc(N3CCCC(C)C3)cc2)c1,BAXBXGLLXIIGTG-UHFFFAOYSA-N
-rxn:5:182012:222957:225451,Cc1cc(-c2ccc(-c3ccc(SC4CCCCC4)cc3)c(C3CCCOC3)c2)cc(C2CCCNC2)c1,IUMMSCRLZBROHJ-UHFFFAOYSA-N
-rxn:5:182012:225407:225636,CC1CCN(c2cc(-c3ccc(-c4ccc(C5CCCCCC5)cc4)cc3C3CCCOC3)ccn2)CC1,SIDSVIBNFRQACN-UHFFFAOYSA-N
-rxn:5:182012:225832:227684,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2cnn(CC3OCCO3)c2)c(C2CCCOC2)c1,FWQWURRGBRFVSZ-UHFFFAOYSA-N
-rxn:5:182013:225832:227613,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2cnn(C3CCOCC3)c2)c(C2CCOCC2)c1,GDAXLEXZXUYAHX-UHFFFAOYSA-N
-rxn:5:183189:225832:226181,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2ccc(C3=CCCCC3)nc2)cc2c1OC(C)(C)OC2,ULCNQMDEOVFAKJ-UHFFFAOYSA-N
-rxn:5:183228:223054:226732,CC(c1ccc(-c2cc3c(c(-c4ccc(C#N)c(C(F)(F)F)c4)c2)OC(C)(C)CC3)s1)N1CCC(O)C1,CUELAMNKEVEDEQ-UHFFFAOYSA-N
-rxn:5:188392:225943:226836,CCOC(=O)c1cnc(-c2cn(C(C)C)nc2C(F)(F)F)cc1-c1ccc(C(=O)N2CCOCC2)s1,FBWSPQKNGGLGSA-UHFFFAOYSA-N
-rxn:5:188460:225514:223133,COC(=O)c1cc([N+](=O)[O-])c(-c2ccccc2N2CCNCC2)cc1-c1cccc2c1OCC1(CC1)CO2,UMKHLDDQOMJDIQ-UHFFFAOYSA-N
-rxn:5:188597:226050:225440,CCOc1ccc(-c2c(F)cc(OC(F)(F)F)cc2F)c([N+](=O)[O-])c1-c1ccc(C2(C#N)CCCC2)cc1,VZTUCHKZGMOPHX-UHFFFAOYSA-N
-rxn:5:188867:223061:225589,CC(C)OC(=O)c1cc(-c2ccc(CN3CCSCC3)cc2)ncc1-c1cc(C2CCNCC2)ncc1F,MJWPPUAHNLIPFY-UHFFFAOYSA-N
-rxn:5:188867:223061:225590,CC(C)OC(=O)c1cc(-c2ccc(CN3CCCC3)c(F)c2)ncc1-c1cc(C2CCNCC2)ncc1F,KPSDBYDSTYGCFV-UHFFFAOYSA-N
-rxn:5:188867:223061:225601,CC(C)OC(=O)c1cc(-c2ccc(C3(C#N)CCC3)cc2F)ncc1-c1cc(C2CCNCC2)ncc1F,OXQQMGNIMRVIML-UHFFFAOYSA-N
-rxn:5:188867:223061:225868,CC(C)OC(=O)c1cc(-c2ccc(N3CCOCC3)c(F)c2)ncc1-c1cc(C2CCNCC2)ncc1F,FDBUCRHDQCTDRM-UHFFFAOYSA-N
-rxn:5:188867:223061:225874,CC(C)OC(=O)c1cc(-c2ccc(F)c(N3CCOCC3)c2)ncc1-c1cc(C2CCNCC2)ncc1F,SHIAGPWNKSVUDA-UHFFFAOYSA-N
-rxn:5:188867:223062:225874,CC(C)OC(=O)c1cc(-c2ccc(F)c(N3CCOCC3)c2)ncc1-c1cnc(C2CCNCC2)cc1F,SQKPEMZJRZLNDX-UHFFFAOYSA-N
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-rxn:5:188867:225601:223063,CC(C)OC(=O)c1cc(-c2cc(F)nc(C3CCNCC3)c2)ncc1-c1ccc(C2(C#N)CCC2)cc1F,PYBAYEWMIOOXKJ-UHFFFAOYSA-N
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-rxn:5:188867:225679:223056,CC(C)OC(=O)c1cc(-c2ccc(N3CCC(O)CC3)nc2)ncc1-c1ccc(N2CCCCC2)cc1F,MRWJDJZGJHRNKQ-UHFFFAOYSA-N
-rxn:5:188867:225833:225589,CC(C)OC(=O)c1cc(-c2ccc(CN3CCSCC3)cc2)ncc1-c1ccnc(N2CCCCC2)c1F,CFTJQJJHJDEACO-UHFFFAOYSA-N
-rxn:5:188867:225833:225598,CC(C)OC(=O)c1cc(-c2cccc(CN3CCSCC3)c2)ncc1-c1ccnc(N2CCCCC2)c1F,BNWUPZUVNQKPGT-UHFFFAOYSA-N
-rxn:5:188867:225833:225874,CC(C)OC(=O)c1cc(-c2ccc(F)c(N3CCOCC3)c2)ncc1-c1ccnc(N2CCCCC2)c1F,LSTTZBAGQXHTDR-UHFFFAOYSA-N
-rxn:5:188867:225834:222994,CC(C)OC(=O)c1cc(-c2cccc(N3CCC(O)CC3)c2)ncc1-c1cc(N2CCCCC2)ncc1F,DMERFBIMADDSLH-UHFFFAOYSA-N
-rxn:5:188867:225834:223006,CC(C)OC(=O)c1cc(-c2ccc(F)c(C3CCNCC3)c2)ncc1-c1cc(N2CCCCC2)ncc1F,JEFWENQFVQDRPN-UHFFFAOYSA-N
-rxn:5:188867:225834:225868,CC(C)OC(=O)c1cc(-c2ccc(N3CCOCC3)c(F)c2)ncc1-c1cc(N2CCCCC2)ncc1F,FGBAXIHSADWELB-UHFFFAOYSA-N
-rxn:5:188867:225834:225874,CC(C)OC(=O)c1cc(-c2ccc(F)c(N3CCOCC3)c2)ncc1-c1cc(N2CCCCC2)ncc1F,GQZIWGWVNLFVAH-UHFFFAOYSA-N
-rxn:5:188867:225834:226661,CC(C)OC(=O)c1cc(-c2cc(N3CCN(C)CC3)cs2)ncc1-c1cc(N2CCCCC2)ncc1F,WTHKPZFFQJWBPF-UHFFFAOYSA-N
-rxn:5:188867:225849:225874,CC(C)OC(=O)c1cc(-c2ccc(F)c(N3CCOCC3)c2)ncc1-c1cnc(N2CCCCC2)cc1F,JCYCBGUJGCWODA-UHFFFAOYSA-N
-rxn:5:188867:225976:223006,CC(C)OC(=O)c1cc(-c2ccc(F)c(C3CCNCC3)c2)ncc1-c1ccnc(N2CCOCC2)c1F,DQHWAKRXMNZPHV-UHFFFAOYSA-N
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-rxn:5:188867:225980:223006,CC(C)OC(=O)c1cc(-c2ccc(F)c(C3CCNCC3)c2)ncc1-c1cc(N2CCOCC2)ncc1F,LGWAUESVUHJYIW-UHFFFAOYSA-N
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-rxn:5:188867:225982:225874,CC(C)OC(=O)c1cc(-c2ccc(F)c(N3CCOCC3)c2)ncc1-c1cnc(N2CCOCC2)cc1F,UUSCHAYMLQBZPU-UHFFFAOYSA-N
-rxn:5:188930:223056:226321,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccc(N3CCC(O)CC3)nc2)cc1-c1ccc(SC2CCCC2)nc1,PXXCWFUKZFFCOZ-UHFFFAOYSA-N
-rxn:5:188930:223138:226649,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccnc(C3CCNCC3)c2)cc1-c1cccnc1N1CCOCC1,HNQLEPRMWHPKSS-UHFFFAOYSA-N
-rxn:5:188930:225607:227379,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccc(C(C)N3CCCCC3)s2)cc1-c1cccnc1N1CCCC1,WQIKDQHQUJWTTN-UHFFFAOYSA-N
-rxn:5:188930:225784:223135,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccc(CN3CCOCC3)nc2)cc1-c1cccnc1C1CCCNC1,GUIRPTBHFROKPB-UHFFFAOYSA-N
-rxn:5:188931:226382:226438,COC(=O)c1cc(-c2cnc(C3CCCCC3)nc2)cc(S(N)(=O)=O)c1-c1cnc(C2CCCC2)cc1F,YJKBBGBTNYRUFV-UHFFFAOYSA-N
-rxn:5:188932:227656:226649,COC(=O)c1cc(-c2cc(N3CCOCC3)cs2)c(S(N)(=O)=O)c(-c2cccnc2N2CCOCC2)c1,IGXWHUKRQODDGF-UHFFFAOYSA-N
-rxn:5:189001:223002:223065,COC(=O)C1(c2nc(-c3ccc(N4CCNCC4)cc3F)ccc2-c2ccc(C3CCNCC3)cc2F)CC1,KVTNVWAKSPVEEP-UHFFFAOYSA-N
-rxn:5:189001:223006:223008,COC(=O)C1(c2nc(-c3cc(C4CCNCC4)ccc3F)ccc2-c2ccc(F)c(C3CCNCC3)c2)CC1,FWXWPFFCEVILSX-UHFFFAOYSA-N
-rxn:5:189001:223007:223065,COC(=O)C1(c2nc(-c3ccc(N4CCNCC4)cc3F)ccc2-c2cc(F)cc(C3CCNCC3)c2)CC1,GFSABNUUWHASTD-UHFFFAOYSA-N
-rxn:5:189001:223061:223130,COC(=O)C1(c2nc(-c3ccc(CN4CC(O)C4)cc3)ccc2-c2cc(C3CCNCC3)ncc2F)CC1,QKEOCYXWLXUONQ-UHFFFAOYSA-N
-rxn:5:189001:223065:223144,COC(=O)C1(c2nc(-c3ccc(N4CCC(O)C4)cc3)ccc2-c2ccc(N3CCNCC3)cc2F)CC1,WULQHHAHLHVBEI-UHFFFAOYSA-N
-rxn:5:189001:223065:223146,COC(=O)C1(c2nc(-c3cccc(C4CNCCO4)c3)ccc2-c2ccc(N3CCNCC3)cc2F)CC1,STHMMSAAFXDYPB-UHFFFAOYSA-N
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-rxn:5:189209:225820:227387,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccnc(N3CCCC3)c2)cc(-c2c(C3CC3)cccc2C(F)(F)F)c1,RUVMOLMDDZQTIW-UHFFFAOYSA-N
-rxn:5:189210:225438:223142,CC(c1ccc(-c2cccc(-c3ccc(C4CCCNC4)nc3)c2C(=O)ON2C(=O)CCC2=O)cc1)N1CCCC1,KHDUPOPUETXLSO-UHFFFAOYSA-N
-rxn:5:189210:228317:225437,COC(=O)c1ccc(-c2cccc(-c3cccc(CN4CCCCC4)c3)c2C(=O)ON2C(=O)CCC2=O)cn1,YEPCHDQJRYYZOU-UHFFFAOYSA-N
-rxn:5:189211:223189:226164,CS(=O)(=O)Nc1ccc(-c2cccc(C(=O)ON3C(=O)CCC3=O)c2-c2ccc(N3CCCCC3)cc2)c(F)c1,QVNATHCSJGJPHH-UHFFFAOYSA-N
-rxn:5:189211:225598:223343,O=C1Cc2ccc(-c3c(C(=O)ON4C(=O)CCC4=O)cccc3-c3cccc(CN4CCSCC4)c3)cc2N1,SXMJWIDWKXEERU-UHFFFAOYSA-N
-rxn:5:189212:227933:225809,CCc1ccc(OC)cc1-c1cc(C(=O)ON2C(=O)CCC2=O)ccc1-c1cc(F)ccc1OC1CCOC1,COJZKKNVDFGJTI-UHFFFAOYSA-N
-rxn:5:189319:225438:223143,CC(c1ccc(-c2ccc(-c3cccc(N4CCC(O)C4)c3)nc2C(=O)OC(C)(C)C)cc1)N1CCCC1,DUEDXMKUSABLJJ-UHFFFAOYSA-N
-rxn:5:189320:226664:222990,CC(C)(C)OC(=O)c1cnc(-c2ccc(N3CCC(O)CC3)cc2)c(-c2cc(N3CCCC3)ncc2F)c1,ITFRXFFVUMJLBK-UHFFFAOYSA-N
-rxn:5:189320:226664:225589,CC(C)(C)OC(=O)c1cnc(-c2ccc(CN3CCSCC3)cc2)c(-c2cc(N3CCCC3)ncc2F)c1,GGVXURWWCBPBBB-UHFFFAOYSA-N
-rxn:5:189321:223143:225976,CC(C)(C)OC(=O)c1nc(-c2cccc(N3CCC(O)C3)c2)ccc1-c1ccnc(N2CCOCC2)c1F,UGQFJBAEQLPLFJ-UHFFFAOYSA-N
-rxn:5:189321:225439:223143,CC(c1cccc(-c2ccc(-c3cccc(N4CCC(O)C4)c3)c(C(=O)OC(C)(C)C)n2)c1)N1CCCC1,ZPKIWMWFJSFEHA-UHFFFAOYSA-N
-rxn:5:189322:223144:225439,CC(c1cccc(-c2ncc(-c3ccc(N4CCC(O)C4)cc3)cc2C(=O)OC(C)(C)C)c1)N1CCCC1,ABQRINGTJIORBA-UHFFFAOYSA-N
-rxn:5:189323:223061:225454,CN1CC=C(c2ccc(-c3cc(C(=O)OC(C)(C)C)c(-c4cc(C5CCNCC5)ncc4F)cn3)cc2)CC1,TYGNKZDMOVQVRH-UHFFFAOYSA-N
-rxn:5:189323:225590:226663,CC(C)(C)OC(=O)c1cc(-c2ccc(N3CCSCC3)nc2)ncc1-c1ccc(CN2CCCC2)c(F)c1,NWHFVLNWJQQNDA-UHFFFAOYSA-N
-rxn:5:189323:225592:226663,CC(C)(C)OC(=O)c1cc(-c2ccc(N3CCSCC3)nc2)ncc1-c1cc(F)ccc1CN1CCCC1,XWOZTMJREZJFFN-UHFFFAOYSA-N
-rxn:5:189323:225594:226663,CC(C)(C)OC(=O)c1cc(-c2ccc(N3CCSCC3)nc2)ncc1-c1ccc(F)cc1CN1CCCC1,RHCYGCMQMSLBBX-UHFFFAOYSA-N
-rxn:5:189323:226431:223056,CC(C)(C)OC(=O)c1cc(-c2ccc(N3CCC(O)CC3)nc2)ncc1-c1ccc(N2CCCC2)c(F)c1,OQOLFYYBTBUBAI-UHFFFAOYSA-N
-rxn:5:189323:226441:223056,CC(C)(C)OC(=O)c1cc(-c2ccc(N3CCC(O)CC3)nc2)ncc1-c1ccc(N2CCCC2)cc1F,USWKUBHGQKEVEO-UHFFFAOYSA-N
-rxn:5:189323:226658:223056,CC(C)(C)OC(=O)c1cc(-c2ccc(N3CCC(O)CC3)nc2)ncc1-c1ccc(N2CCCC2)nc1F,IHUGJTHBRXDUMV-UHFFFAOYSA-N
-rxn:5:189323:226664:222990,CC(C)(C)OC(=O)c1cc(-c2ccc(N3CCC(O)CC3)cc2)ncc1-c1cc(N2CCCC2)ncc1F,IILNAONZMGAANH-UHFFFAOYSA-N
-rxn:5:189323:226664:222994,CC(C)(C)OC(=O)c1cc(-c2cccc(N3CCC(O)CC3)c2)ncc1-c1cc(N2CCCC2)ncc1F,CCRKRGLGNNWAAT-UHFFFAOYSA-N
-rxn:5:189323:226664:223065,CC(C)(C)OC(=O)c1cc(-c2ccc(N3CCNCC3)cc2F)ncc1-c1cc(N2CCCC2)ncc1F,NEUZMXHXRYYCTP-UHFFFAOYSA-N
-rxn:5:189334:222990:225980,CC(C)(C)OC(=O)c1ncc(-c2ccc(N3CCC(O)CC3)cc2)cc1-c1cc(N2CCOCC2)ncc1F,VTSHKUHQTUEGFS-UHFFFAOYSA-N
-rxn:5:189334:222990:226658,CC(C)(C)OC(=O)c1ncc(-c2ccc(N3CCC(O)CC3)cc2)cc1-c1ccc(N2CCCC2)nc1F,VIBZLZPJDVLKMW-UHFFFAOYSA-N
-rxn:5:189334:222990:226664,CC(C)(C)OC(=O)c1ncc(-c2ccc(N3CCC(O)CC3)cc2)cc1-c1cc(N2CCCC2)ncc1F,WLPFVRCQGOUUMH-UHFFFAOYSA-N
-rxn:5:189334:222994:225980,CC(C)(C)OC(=O)c1ncc(-c2cccc(N3CCC(O)CC3)c2)cc1-c1cc(N2CCOCC2)ncc1F,SCHUKUIWLRVTSC-UHFFFAOYSA-N
-rxn:5:189334:222994:226658,CC(C)(C)OC(=O)c1ncc(-c2cccc(N3CCC(O)CC3)c2)cc1-c1ccc(N2CCCC2)nc1F,MIMIOIFWFPYQEN-UHFFFAOYSA-N
-rxn:5:189334:223056:226441,CC(C)(C)OC(=O)c1ncc(-c2ccc(N3CCC(O)CC3)nc2)cc1-c1ccc(N2CCCC2)cc1F,TZLXQFUZMGYBCM-UHFFFAOYSA-N
-rxn:5:189334:223056:226664,CC(C)(C)OC(=O)c1ncc(-c2ccc(N3CCC(O)CC3)nc2)cc1-c1cc(N2CCCC2)ncc1F,CWPZFMUEGYNCFK-UHFFFAOYSA-N
-rxn:5:189334:223139:225976,CC(C)(C)OC(=O)c1ncc(-c2ccc(C3CCNCC3)nc2)cc1-c1ccnc(N2CCOCC2)c1F,QWFDZAKYFXWEMB-UHFFFAOYSA-N
-rxn:5:189334:223143:225976,CC(C)(C)OC(=O)c1ncc(-c2cccc(N3CCC(O)C3)c2)cc1-c1ccnc(N2CCOCC2)c1F,ZATMGWCGLZGBOR-UHFFFAOYSA-N
-rxn:5:189334:223144:225976,CC(C)(C)OC(=O)c1ncc(-c2ccc(N3CCC(O)C3)cc2)cc1-c1ccnc(N2CCOCC2)c1F,PWWGJCYPQSFPRL-UHFFFAOYSA-N
-rxn:5:189334:223294:225602,CC(C)(C)OC(=O)c1ncc(-c2csc(N3CCNCC3)n2)cc1-c1cc(C2(C#N)CCC2)ccc1F,LYGAJBWDPSIDFM-UHFFFAOYSA-N
-rxn:5:189538:225453:226374,CC(C)N(C)C(=O)c1ccc(-c2cccc(SC3CCCCC3)c2)c(-c2cncnc2C2CCCCC2)c1,GMWVHEVIADOPDU-UHFFFAOYSA-N
-rxn:5:189664:225453:227052,CC(C)(C)Sc1ccc(-c2cc(-c3cccc(SC4CCCCC4)c3)ccc2CC(=O)N2CCCC2)cc1,IRXTXHFUAHGYHR-UHFFFAOYSA-N
-rxn:5:189666:226062:226059,CC(C)c1cc(-c2cc(/C=N/[S@](=O)C(C)(C)C)ccc2-c2ccc(C(C)C)cc2C(C)C)cc(C(C)C)c1,YGMOZGDOXXSZPC-XVNZLDRSSA-N
-rxn:5:189666:226138:226028,Cc1cc(C#N)cc(C2CC2)c1-c1cc(/C=N/[S@](=O)C(C)(C)C)ccc1-c1ccc(C(F)(F)F)c(C#N)c1F,ACDVFWUNCZWAGA-PSGDVYKSSA-N
-rxn:5:189667:225407:223215,CC(C)(C)[S@](=O)/N=C/c1cc(-c2ccc(C3CCCCCC3)cc2)cc(-c2ccc3c(c2)NC(=O)CC3)c1,MLWNAGCMAISETR-QPKYBZRNSA-N
-rxn:5:189667:226742:227612,CC(C)(C)[S@](=O)/N=C/c1cc(-c2cnn(C3CCCCO3)c2)cc(-c2ccc(C#N)cc2C(F)(F)F)c1,OHWBRKVCRJOUAT-MUKMLWRBSA-N
-rxn:5:189668:225498:227045,CC(C)(C)Sc1cccc(-c2ccc(CC(=O)N3CCCC3)c(-c3cc(C4CCCCC4)ccc3F)c2)c1,UDFSRGWCTNSIKE-UHFFFAOYSA-N
-rxn:5:189671:225407:228002,CC(C)(C)S(=O)/N=C/c1c(-c2ccc(C3CCCCCC3)cc2)cccc1-c1sccc1C1CCCC1,SCDXBGLKCQGBDO-PPFNPFNJSA-N
-rxn:5:189674:225407:228002,CC(C)(C)S(=O)/N=C/c1ccc(-c2sccc2C2CCCC2)cc1-c1ccc(C2CCCCCC2)cc1,TXMCGUYYFDELHD-PPFNPFNJSA-N
-rxn:5:189676:226347:226840,Cc1cc(-c2cc(CC(=O)N3CCCC3)ccc2-c2cc(C#N)nc(C(F)(F)F)c2)c(OC(C)C)cc1F,GMMSSURRYDAFDP-UHFFFAOYSA-N
-rxn:5:189909:226782:226794,COC(=O)c1cc(F)c(-c2ccc(-c3cnc(N4CCSCC4)nc3)cc2CCN2CCOCC2)cc1F,ZBECZIRMKVGYFI-UHFFFAOYSA-N
-rxn:5:189909:226794:226782,COC(=O)c1cc(F)c(-c2ccc(-c3cnc(N4CCSCC4)nc3)c(CCN3CCOCC3)c2)cc1F,RUPWJDMLSGYSRT-UHFFFAOYSA-N
-rxn:5:189952:223191:228972,CNS(=O)(=O)c1ccc(-c2cc(C(=O)N3CCOCC3)cc(-c3cc(C(F)(F)F)cs3)c2OC)cc1F,YWHQPZOVXBANKU-UHFFFAOYSA-N
-rxn:5:189952:228491:226605,COc1c(-c2cc(F)c(OC(C)C)cc2F)cc(C(=O)N2CCOCC2)cc1-c1cn(C)c(=O)n(C)c1=O,JSKUPELUTYDFBX-UHFFFAOYSA-N
-rxn:5:190001:223139:225589,O=C(Cc1ccc(-c2ccc(CN3CCSCC3)cc2)c(-c2ccc(C3CCNCC3)nc2)c1)N1CCCCC1,HEIMNOYNBDPMLT-UHFFFAOYSA-N
-rxn:5:190001:226158:227052,CC(C)(C)Sc1ccc(-c2ccc(CC(=O)N3CCCCC3)cc2-c2ccccc2N2CCCCC2)cc1,MMZWXCPNMJHGBM-UHFFFAOYSA-N
-rxn:5:190001:226762:223189,CSc1cc(-c2cc(CC(=O)N3CCCCC3)ccc2-c2ccc(NS(C)(=O)=O)cc2F)cc(C(F)(F)F)c1,WEWVEIUPGVNXGV-UHFFFAOYSA-N
-rxn:5:190127:226150:227940,CCc1cc(SC)cc(-c2ccc(-c3cccc(SC4CCCC4)c3)cc2C(=O)N2CCC(OC)CC2)c1,FRUHVESFGKSDEX-UHFFFAOYSA-N
-rxn:5:190127:227073:225453,COc1cc(-c2ccc(-c3cccc(SC4CCCCC4)c3)c(C(=O)N3CCC(OC)CC3)c2)cc(C2CC2)c1,KLIAXOMQICOWIH-UHFFFAOYSA-N
-rxn:5:190127:227935:226064,CCc1cc(-c2ccc(-c3ccc(C4CCCCC4)cc3)c(C(=O)N3CCC(OC)CC3)c2)ccc1OC,OTFOWUNDEASADG-UHFFFAOYSA-N
-rxn:5:190127:228155:225453,COc1ccc(-c2ccc(-c3cccc(SC4CCCCC4)c3)c(C(=O)N3CCC(OC)CC3)c2)cc1OC,CSGUZGJVVQLIAO-UHFFFAOYSA-N
-rxn:5:190128:225451:227932,COCc1ccc(C)c(-c2cc(C(=O)N3CCC(OC)CC3)ccc2-c2ccc(SC3CCCCC3)cc2)c1,CUWMIFHWUVZRBR-UHFFFAOYSA-N
-rxn:5:190128:228476:226366,COC1CCN(C(=O)c2ccc(-c3cccnc3C(F)(F)F)c(-c3ccnc(N4CCCCC4)c3)c2)CC1,AHNFIPXXDYVAET-UHFFFAOYSA-N
-rxn:5:190128:228555:225451,COCc1ccccc1-c1ccc(C(=O)N2CCC(OC)CC2)cc1-c1ccc(SC2CCCCC2)cc1,YXXSSVGOHCQYFT-UHFFFAOYSA-N
-rxn:5:190131:225499:227942,CCc1ccc(-c2cc(C(=O)N3CCCCC3)cc(-c3ccc(C4CCCCC4)cc3F)c2OC)c(OC)c1,CGVDSHYUMCDUJC-UHFFFAOYSA-N
-rxn:5:190132:225453:228762,CCn1cc(-c2cc(-c3cccc(SC4CCCCC4)c3)ccc2C(=O)N2CCC(OC)CC2)ccc1=O,JSHPUPNWOKCKPA-UHFFFAOYSA-N
-rxn:5:190194:223010:227837,COC1CCN(Cc2cccc(-c3ccc(C4(O)CCOCC4)cc3)c2-c2cc(C)cc(C3CC3)c2)CC1,OLVHRDUCKGLPCH-UHFFFAOYSA-N
-rxn:5:190194:225451:227935,CCc1cc(-c2c(CN3CCC(OC)CC3)cccc2-c2ccc(SC3CCCCC3)cc2)ccc1OC,YPXJAWOTIKFDFV-UHFFFAOYSA-N
-rxn:5:190194:227073:226146,COc1cc(-c2cccc(CN3CCC(OC)CC3)c2-c2ccc(SC3CCCC3)cc2)cc(C2CC2)c1,SAYOSWTZOYUIAK-UHFFFAOYSA-N
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-rxn:5:190194:228157:225407,COc1ccc(-c2cccc(CN3CCC(OC)CC3)c2-c2ccc(C3CCCCCC3)cc2)c(OC)c1,FXAYIYQALUSERI-UHFFFAOYSA-N
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-rxn:5:190484:226662:223312,CN1CCN(c2ccc(-c3cccc(C(=O)N4CCC(c5ccccc5-c5ccc(C6CNC6)cc5)S(=O)(=O)CC4)c3)s2)CC1,QXUBZYPLVPILAI-UHFFFAOYSA-N
-rxn:5:190484:226914:228721,Cc1cc(CC(C)C)ccc1-c1cccc(C(=O)N2CCC(c3ccccc3-c3ccnn3C(C)(C)C)S(=O)(=O)CC2)c1,GFHSIACEUAUOMT-UHFFFAOYSA-N
-rxn:5:190484:227039:226183,CC(C)(C)Oc1ccc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4cnccc4C4CCCCC4)S(=O)(=O)CC3)c2)cc1,ZGDKFQVULWLODR-UHFFFAOYSA-N
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-rxn:5:190484:227823:227408,CC(C)(C)c1ccccc1-c1cccc(C(=O)N2CCC(c3ccccc3-c3cc(C4CCC4)ncc3F)S(=O)(=O)CC2)c1,AWIODIAMXKKROE-UHFFFAOYSA-N
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-rxn:5:190484:227937:228200,CC(C)Sc1cccc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4ccnn4C4CCCC4)S(=O)(=O)CC3)c2)c1,UFGDYUVIXIQNRL-UHFFFAOYSA-N
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-rxn:5:190484:228592:226058,CC(C)c1cncc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4c(C(C)C)cccc4C(C)C)S(=O)(=O)CC3)c2)c1,YYTSGZNSUTVRMR-UHFFFAOYSA-N
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-rxn:5:190741:223056:225594,CCOC(=O)c1cnc2c(-c3ccc(N4CCC(O)CC4)nc3)cc(C)cc2c1-c1ccc(F)cc1CN1CCCC1,XRIAHVAAOGSCCJ-UHFFFAOYSA-N
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-rxn:5:190741:225849:225655,CCOC(=O)c1cnc2c(-c3cnc(N4CCCCC4)cc3F)cc(C)cc2c1-c1cncc(N2CCC(C)CC2)c1,VOOOHYUMNZMELD-UHFFFAOYSA-N
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-rxn:5:190742:222995:225833,CCOC(=O)c1cnc2c(C)ccc(-c3cccc(N4CCCC(O)C4)c3)c2c1-c1ccnc(N2CCCCC2)c1F,FXVRBFHXSMWDOD-UHFFFAOYSA-N
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-rxn:5:190742:223056:223062,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(N4CCC(O)CC4)nc3)c2c1-c1cnc(C2CCNCC2)cc1F,UGINLLGGEYOYEA-UHFFFAOYSA-N
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-rxn:5:190743:222990:225849,CCOC(=O)c1cnc2c(C)c(-c3ccc(N4CCC(O)CC4)cc3)ccc2c1-c1cnc(N2CCCCC2)cc1F,CHIUYFZLBOISEB-UHFFFAOYSA-N
-rxn:5:190743:222995:225833,CCOC(=O)c1cnc2c(C)c(-c3cccc(N4CCCC(O)C4)c3)ccc2c1-c1ccnc(N2CCCCC2)c1F,YOPZYUBYOMXHDF-UHFFFAOYSA-N
-rxn:5:190743:222995:225834,CCOC(=O)c1cnc2c(C)c(-c3cccc(N4CCCC(O)C4)c3)ccc2c1-c1cc(N2CCCCC2)ncc1F,UWKLKPMJACIYFW-UHFFFAOYSA-N
-rxn:5:190743:225499:223061,CCOC(=O)c1cnc2c(C)c(-c3ccc(C4CCCCC4)cc3F)ccc2c1-c1cc(C2CCNCC2)ncc1F,JKKCCSWIOCGFMG-UHFFFAOYSA-N
-rxn:5:190743:225640:225834,CCOC(=O)c1cnc2c(C)c(-c3ccnc(N4CCCCC4C)c3)ccc2c1-c1cc(N2CCCCC2)ncc1F,GPVYWACPROQPLA-UHFFFAOYSA-N
-rxn:5:190743:225666:225849,CCOC(=O)c1cnc2c(C)c(-c3cc(F)cc(N4CCCCC4)c3)ccc2c1-c1cnc(N2CCCCC2)cc1F,UJFHXNXFOQJERV-UHFFFAOYSA-N
-rxn:5:190743:225679:222994,CCOC(=O)c1cnc2c(C)c(-c3ccc(N4CCCCC4)cc3F)ccc2c1-c1cccc(N2CCC(O)CC2)c1,MHBADXKEZCGKIE-UHFFFAOYSA-N
-rxn:5:190743:225834:225834,CCOC(=O)c1cnc2c(C)c(-c3cc(N4CCCCC4)ncc3F)ccc2c1-c1cc(N2CCCCC2)ncc1F,QGFQVLUWSOXBLR-UHFFFAOYSA-N
-rxn:5:190743:225976:225834,CCOC(=O)c1cnc2c(C)c(-c3ccnc(N4CCOCC4)c3F)ccc2c1-c1cc(N2CCCCC2)ncc1F,FGGPNJMZQFCPOX-UHFFFAOYSA-N
-rxn:5:190743:225976:225980,CCOC(=O)c1cnc2c(C)c(-c3ccnc(N4CCOCC4)c3F)ccc2c1-c1cc(N2CCOCC2)ncc1F,UEKHEGPONYEULN-UHFFFAOYSA-N
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-rxn:5:190744:223056:225592,CCOC(=O)c1cnc2c(-c3ccc(N4CCC(O)CC4)nc3)c(C)ccc2c1-c1cc(F)ccc1CN1CCCC1,NVVIRDVATAGNOE-UHFFFAOYSA-N
-rxn:5:190744:223056:225594,CCOC(=O)c1cnc2c(-c3ccc(N4CCC(O)CC4)nc3)c(C)ccc2c1-c1ccc(F)cc1CN1CCCC1,KYIQQGQUIQNTBO-UHFFFAOYSA-N
-rxn:5:190744:223065:223056,CCOC(=O)c1cnc2c(-c3ccc(N4CCNCC4)cc3F)c(C)ccc2c1-c1ccc(N2CCC(O)CC2)nc1,ASTXXBSTROAEJE-UHFFFAOYSA-N
-rxn:5:190744:225498:223061,CCOC(=O)c1cnc2c(-c3cc(C4CCCCC4)ccc3F)c(C)ccc2c1-c1cc(C2CCNCC2)ncc1F,UQWIUQFAMLQPNT-UHFFFAOYSA-N
-rxn:5:190744:225498:223062,CCOC(=O)c1cnc2c(-c3cc(C4CCCCC4)ccc3F)c(C)ccc2c1-c1cnc(C2CCNCC2)cc1F,DBHQHTNXGVTQTD-UHFFFAOYSA-N
-rxn:5:190744:225499:223062,CCOC(=O)c1cnc2c(-c3ccc(C4CCCCC4)cc3F)c(C)ccc2c1-c1cnc(C2CCNCC2)cc1F,AJRMVMAXVGZXLX-UHFFFAOYSA-N
-rxn:5:190744:225666:225849,CCOC(=O)c1cnc2c(-c3cc(F)cc(N4CCCCC4)c3)c(C)ccc2c1-c1cnc(N2CCCCC2)cc1F,RXYWEIZFOWZYGN-UHFFFAOYSA-N
-rxn:5:190744:225679:225849,CCOC(=O)c1cnc2c(-c3ccc(N4CCCCC4)cc3F)c(C)ccc2c1-c1cnc(N2CCCCC2)cc1F,IJZKEHCMPLUPCP-UHFFFAOYSA-N
-rxn:5:190744:225784:225834,CCOC(=O)c1cnc2c(-c3ccc(CN4CCOCC4)nc3)c(C)ccc2c1-c1cc(N2CCCCC2)ncc1F,QWEIYMQQDLGWCG-UHFFFAOYSA-N
-rxn:5:190744:225833:225784,CCOC(=O)c1cnc2c(-c3ccnc(N4CCCCC4)c3F)c(C)ccc2c1-c1ccc(CN2CCOCC2)nc1,AWLJSRAHJRZTRT-UHFFFAOYSA-N
-rxn:5:190744:225833:225868,CCOC(=O)c1cnc2c(-c3ccnc(N4CCCCC4)c3F)c(C)ccc2c1-c1ccc(N2CCOCC2)c(F)c1,ZBTPILUVVSOGRA-UHFFFAOYSA-N
-rxn:5:190744:225872:225640,CCOC(=O)c1cnc2c(-c3cc(F)c(F)c(N4CCCC4)c3)c(C)ccc2c1-c1ccnc(N2CCCCC2C)c1,IONHDOJXLGCPPW-UHFFFAOYSA-N
-rxn:5:190744:225976:225980,CCOC(=O)c1cnc2c(-c3ccnc(N4CCOCC4)c3F)c(C)ccc2c1-c1cc(N2CCOCC2)ncc1F,LHOPZPBYTJEVOF-UHFFFAOYSA-N
-rxn:5:190797:225450:226059,CC(C)c1ccc(-c2cc(-c3ccc(C(=O)C4CCCC4)cc3)cc3c2ccn3C(=O)OC(C)(C)C)c(C(C)C)c1,QGWMERRFRBTCOU-UHFFFAOYSA-N
-rxn:5:190799:226058:225407,CC(C)c1cccc(C(C)C)c1-c1c(-c2ccc(C3CCCCCC3)cc2)ccc2c1ccn2C(=O)OC(C)(C)C,BRHGJZCCPDKCPJ-UHFFFAOYSA-N
-rxn:5:190832:223141:223064,CCOC(=O)c1cnc2cc(C)c(-c3cncc(C4CCNCC4)c3)c(C)c2c1-c1ccc(C2CCNCC2)nc1F,ICOVDNXRLQWEFI-UHFFFAOYSA-N
-rxn:5:190832:225834:223144,CCOC(=O)c1cnc2cc(C)c(-c3cc(N4CCCCC4)ncc3F)c(C)c2c1-c1ccc(N2CCC(O)C2)cc1,XGEYLLSXLIMGBV-UHFFFAOYSA-N
-rxn:5:190832:225849:223143,CCOC(=O)c1cnc2cc(C)c(-c3cnc(N4CCCCC4)cc3F)c(C)c2c1-c1cccc(N2CCC(O)C2)c1,ILQMBWXHGPBDQW-UHFFFAOYSA-N
-rxn:5:190832:226664:225834,CCOC(=O)c1cnc2cc(C)c(-c3cc(N4CCCC4)ncc3F)c(C)c2c1-c1cc(N2CCCCC2)ncc1F,RERHYWNDFIOPRE-UHFFFAOYSA-N
-rxn:5:190859:223062:225834,CC(C)(C)OC(=O)N1CCc2c1ccc(-c1cnc(C3CCNCC3)cc1F)c2-c1cc(N2CCCCC2)ncc1F,PHISUKPFWNKJRX-UHFFFAOYSA-N
-rxn:5:190859:225886:226174,CC(C)(C)OC(=O)N1CCc2c1ccc(-c1ccc3c(ccn3S(C)(=O)=O)c1)c2-c1ccc(C2CCCCC2)nc1,FLNXXNXSXOYTLA-UHFFFAOYSA-N
-rxn:5:190859:227048:225407,CC(C)C(=O)c1ccc(-c2ccc3c(c2-c2ccc(C4CCCCCC4)cc2)CCN3C(=O)OC(C)(C)C)cc1,CNMRCZUKGRRXSM-UHFFFAOYSA-N
-rxn:5:190859:228511:225451,CC(C)(C)OC(=O)N1CCc2c1ccc(-c1ccc(C3CC3)cc1)c2-c1ccc(SC2CCCCC2)cc1,DTGMHOGPXPLQAU-UHFFFAOYSA-N
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-rxn:5:193870:223139:223384,CNC(=O)c1ccc(-c2cc(-c3ccc(C4CCNCC4)nc3)c(C)cc2S(=O)(=O)N2CCCCC2)cn1,NFSZHMLMJHNLRP-UHFFFAOYSA-N
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-rxn:5:193972:228572:223140,Cc1ccc(-c2cc(C)c(-c3ccnc(C4CCCNC4)c3)cc2S(=O)(=O)N2CCCCCC2)cc1C#N,VPFWYUVOXPBHQR-UHFFFAOYSA-N
-rxn:5:193972:228573:223135,Cc1cc(C#N)ccc1-c1cc(C)c(-c2cccnc2C2CCCNC2)cc1S(=O)(=O)N1CCCCCC1,NJIYCDBISUPJGS-UHFFFAOYSA-N
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-rxn:5:194561:226736:226732,N#Cc1cc(C(F)(F)F)ccc1-c1ccc(-c2ccc(C#N)c(C(F)(F)F)c2)c(C(=O)N2C3CCC2COC3)c1,SGAXJJRFLPNAQW-UHFFFAOYSA-N
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-rxn:5:194782:227326:228206,COC(=O)c1ccc(C)c(-c2ccc(-c3cc(F)cc(N(C)C)c3)c(C(=O)N3CCC4(CC3)CC(=O)c3ccccc3O4)c2)c1,KVGCWIMXOYAWKW-UHFFFAOYSA-N
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-rxn:5:194791:222998:228541,O=C1C2C(c3ccc(-c4ccc5c(c4)COC5)cc3)OC3(C(=O)c4ccccc4C3=O)C2C(=O)N1c1ccccc1-c1cc(F)cc(C2CCCNC2)c1,SSNHVAMOOZMUJU-UHFFFAOYSA-N
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-rxn:5:194791:227704:226079,COc1cnc(C(F)F)cc1-c1ccccc1N1C(=O)C2C(c3ccc(-c4cc5cc(C(C)C)ccc5s4)cc3)OC3(C(=O)c4ccccc4C3=O)C2C1=O,UHCJSARWMZZFDR-UHFFFAOYSA-N
-rxn:5:196408:225461:225684,Cc1cc(N2CCCCC2)ccc1-c1cc(-c2ccc(C3CCOCC3)nc2C)ccc1C1=NOCCO1,XHDWHIGLFUEENW-UHFFFAOYSA-N
-rxn:5:196408:226686:225472,Cc1cnn(C2CCCCO2)c1-c1cc(-c2cccc(N3CCCCC3C)c2)ccc1C1=NOCCO1,GNLMRXRYHPEKNB-UHFFFAOYSA-N
-rxn:5:196679:225832:225498,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2cc(C3CCCCC3)ccc2F)cc1N1CCCC1,WPSHHSNDRIQHKO-UHFFFAOYSA-N
-rxn:5:196789:223064:223294,O=C1COCCN1c1ccc(-c2ccc(C3CCNCC3)nc2F)cc1-c1csc(N2CCNCC2)n1,JTSVNNSRUHQSTE-UHFFFAOYSA-N
-rxn:5:196790:223294:223064,O=C1COCCN1c1ccc(-c2ccc(C3CCNCC3)nc2F)cc1-c1csc(N2CCNCC2)n1,JTSVNNSRUHQSTE-UHFFFAOYSA-N
-rxn:5:196791:225833:223294,O=C1COCCN1c1cccc(-c2ccnc(N3CCCCC3)c2F)c1-c1csc(N2CCNCC2)n1,OYIPTELAJXOVMT-UHFFFAOYSA-N
-rxn:5:196795:222981:226038,COc1cc(C(F)(F)F)c(F)cc1-c1ccc(N2CCOCC2=O)cc1-c1ccnc(NC2CCCCC2)c1,MQUUNWIZZOQQQV-UHFFFAOYSA-N
-rxn:5:196858:222998:223064,Fc1cc(-c2cnc(C3CCOCC3)cc2-c2ccc(C3CCNCC3)nc2F)cc(C2CCCNC2)c1,APIHGWRBJGSJMT-UHFFFAOYSA-N
-rxn:5:196858:223136:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(C2CCOCC2)ncc1-c1ccncc1C1CCCNC1,FRUVDSLVQVXZFZ-UHFFFAOYSA-N
-rxn:5:196859:223063:223058,Fc1cc(-c2c(C3CCOCC3)ccnc2-c2cc(F)nc(C3CCCNC3)c2)cc(C2CCNCC2)n1,WWGAXMLSDQXKNP-UHFFFAOYSA-N
-rxn:5:196859:225784:226686,Cc1cnn(C2CCCCO2)c1-c1nccc(C2CCOCC2)c1-c1ccc(CN2CCOCC2)nc1,SCHCALSXKQCXGH-UHFFFAOYSA-N
-rxn:5:196859:225832:223131,Cc1nn(C2CCCCO2)c(C)c1-c1c(C2CCOCC2)ccnc1-c1ccc(N2CCNCC2)cc1,DPRRFPNZUMHIKU-UHFFFAOYSA-N
-rxn:5:196870:225407:226686,Cc1cnn(C2CCCCO2)c1-c1cc(-c2ccc(C3CCCCCC3)cc2)cc(N2CCOCC2)c1,WWGIXEXQMVEKQO-UHFFFAOYSA-N
-rxn:5:196969:222998:223064,Fc1cc(-c2cnc(C3CCCCC3)cc2-c2ccc(C3CCNCC3)nc2F)cc(C2CCCNC2)c1,LXYCXZQIUTXPAY-UHFFFAOYSA-N
-rxn:5:196969:223136:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(C2CCCCC2)ncc1-c1ccncc1C1CCCNC1,HTPDVKCRKNLXGP-UHFFFAOYSA-N
-rxn:5:196970:225462:222956,Cc1ccc(-c2nccc(C3CCCCC3)c2-c2cccc(N3CCC(C)CC3)c2)c(C2CCCNC2)c1,ZISDDWLCSJJUHC-UHFFFAOYSA-N
-rxn:5:196971:222960:225407,Cc1cc(-c2cc(-c3ccc(C4CCCCCC4)cc3)c(C3CCCCC3)cn2)cc(C2CCNCC2)c1,LTHIETYSRGYVIS-UHFFFAOYSA-N
-rxn:5:197169:225926:222986,Cc1cc(-c2cc3c(c(-c4ccc(S(=O)(=O)N5CCC5)cc4)c2)OCC(C#N)=C3)cc(C2CCCNC2)n1,GGPSZUMKYYKSPT-UHFFFAOYSA-N
-rxn:5:197876:225395:228490,CC(C)(C)c1cc(-c2cc3c(cc2-c2cccc(S(=O)(=O)F)c2)C(=O)N(C(C)(C)C)S3(=O)=O)cc(C2CC2)c1,CTKCPQRXCPKASB-UHFFFAOYSA-N
-rxn:5:197876:225461:228182,Cc1cc(N2CCCCC2)ccc1-c1cc2c(cc1-c1cccc(CC(F)F)c1)C(=O)N(C(C)(C)C)S2(=O)=O,LCTHSWXMTCIQLG-UHFFFAOYSA-N
-rxn:5:197876:225499:228005,CSc1cc(C)c(-c2cc3c(cc2-c2ccc(C4CCCCC4)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1C,PQIGCLPKZLSUMU-UHFFFAOYSA-N
-rxn:5:197876:225499:229012,CC(C)c1ccsc1-c1cc2c(cc1-c1ccc(C3CCCCC3)cc1F)S(=O)(=O)N(C(C)(C)C)C2=O,SETWMOVTVUSVHC-UHFFFAOYSA-N
-rxn:5:197876:225834:227065,CC(C)C(=O)c1cccc(-c2cc3c(cc2-c2cc(N4CCCCC4)ncc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,QDLWHLLVPBJLLE-UHFFFAOYSA-N
-rxn:5:197876:225886:226183,CC(C)(C)N1C(=O)c2cc(-c3cnccc3C3CCCCC3)c(-c3ccc4c(ccn4S(C)(=O)=O)c3)cc2S1(=O)=O,PNFISMPSJQIOMI-UHFFFAOYSA-N
-rxn:5:197876:226061:228260,CC(C)c1cc(-c2cc3c(cc2-c2cccc(C(C)(F)F)c2)C(=O)N(C(C)(C)C)S3(=O)=O)cc(C2CC2)c1,OJXQQRFGMGJGIL-UHFFFAOYSA-N
-rxn:5:197876:226182:228437,CC(C)(C)N1C(=O)c2cc(-c3ccc(C(F)F)cc3F)c(-c3cccnc3C3CCCCC3)cc2S1(=O)=O,DOKWTVWRKBEAND-UHFFFAOYSA-N
-rxn:5:197876:226447:227561,COc1cc(F)c(-c2cc3c(cc2-c2ccnc(C4CCOCC4)c2)S(=O)(=O)N(C(C)(C)C)C3=O)cc1OC,UZGCILBHHDFOMS-UHFFFAOYSA-N
-rxn:5:197876:226589:223203,CC(C)c1cnc(C(F)F)cc1-c1cc2c(cc1-c1cccc(C3(O)CCC3)c1)C(=O)N(C(C)(C)C)S2(=O)=O,PEEYQLAXOLFIAC-UHFFFAOYSA-N
-rxn:5:197876:226762:223113,CSc1cc(-c2cc3c(cc2-c2ccc4c(c2)C(C)(C)C(=O)N4)C(=O)N(C(C)(C)C)S3(=O)=O)cc(C(F)(F)F)c1,GGXPQYFWOZXCQC-UHFFFAOYSA-N
-rxn:5:197876:226762:225450,CSc1cc(-c2cc3c(cc2-c2ccc(C(=O)C4CCCC4)cc2)C(=O)N(C(C)(C)C)S3(=O)=O)cc(C(F)(F)F)c1,RRJUAWZLUXUCIW-UHFFFAOYSA-N
-rxn:5:197876:226762:227918,CSc1cc(-c2cc3c(cc2-c2ccc(SC4CC4)cc2)C(=O)N(C(C)(C)C)S3(=O)=O)cc(C(F)(F)F)c1,CQQOFIDKPQPNCY-UHFFFAOYSA-N
-rxn:5:197876:226762:228003,CSc1cc(-c2cc3c(cc2-c2c(C)cc(SC)cc2C)C(=O)N(C(C)(C)C)S3(=O)=O)cc(C(F)(F)F)c1,DGLVROUGMHQIAD-UHFFFAOYSA-N
-rxn:5:197876:226922:227045,Cc1cc(C2CC2)cc(C)c1-c1cc2c(cc1-c1cccc(SC(C)(C)C)c1)C(=O)N(C(C)(C)C)S2(=O)=O,HURUDTAOVGHPHM-UHFFFAOYSA-N
-rxn:5:197876:227052:227047,CC(C)(C)Sc1ccc(-c2cc3c(cc2-c2cccc(SC4CCC4)c2)C(=O)N(C(C)(C)C)S3(=O)=O)cc1,QMKNMJUDSXRRAV-UHFFFAOYSA-N
-rxn:5:197876:227066:226179,CC(C)(C)N1C(=O)c2cc(-c3cncc(C4CCCCC4)c3)c(-c3cccc(C(=O)C4CC4)c3)cc2S1(=O)=O,SIZDXFGMGFSJTH-UHFFFAOYSA-N
-rxn:5:197876:227079:226067,CC(C)Cc1ccc(F)c(-c2cc3c(cc2-c2ccc(C4=CCCCC4)cc2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,GPDKPXXGXZLMND-UHFFFAOYSA-N
-rxn:5:197876:227823:226183,CC(C)(C)c1ccccc1-c1cc2c(cc1-c1cnccc1C1CCCCC1)C(=O)N(C(C)(C)C)S2(=O)=O,IRWPVQYYXOZQFG-UHFFFAOYSA-N
-rxn:5:197876:227823:226189,CC(C)(C)c1ccccc1-c1cc2c(cc1-c1ccc(C3CCCC3)c(F)c1)C(=O)N(C(C)(C)C)S2(=O)=O,MEJISLROCUDWEH-UHFFFAOYSA-N
-rxn:5:197876:227953:226069,Cc1cc(N(C)C)ccc1-c1cc2c(cc1-c1cccc(C3CCCCC3)c1)C(=O)N(C(C)(C)C)S2(=O)=O,FZJPHPWNTWXBIY-UHFFFAOYSA-N
-rxn:5:197876:227970:225450,CC(C)(C)c1cnccc1-c1cc2c(cc1-c1ccc(C(=O)C3CCCC3)cc1)C(=O)N(C(C)(C)C)S2(=O)=O,CKGOCEDZUNUBCJ-UHFFFAOYSA-N
-rxn:5:197876:227989:226064,CC#Cc1ccc(F)c(-c2cc3c(cc2-c2ccc(C4CCCCC4)cc2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,SJHBBNJZQVKOIG-UHFFFAOYSA-N
-rxn:5:197876:228066:222989,Cc1cc(N2CCNCC2)ccc1-c1cc2c(cc1-c1ccc3c(c1)OCCO3)S(=O)(=O)N(C(C)(C)C)C2=O,WNJQDZQHHXYCOA-UHFFFAOYSA-N
-rxn:5:197876:228529:222989,Cc1cc(N2CCNCC2)ccc1-c1cc2c(cc1-c1ccc3c(c1)CCO3)S(=O)(=O)N(C(C)(C)C)C2=O,KINRIIBLXVMIDP-UHFFFAOYSA-N
-rxn:5:199281:225453:225677,CN1C(=O)CCc2cc(-c3cccc(SC4CCCCC4)c3)c(-c3ccc(C4CCCCC4)nc3F)cc21,BGOVJMRFRZJTIH-UHFFFAOYSA-N
-rxn:5:227903:178295:225451,CCN(C)c1cccc(-c2ccc(-c3ccc(SC4CCCCC4)cc3)cc2C2(C(=O)OC)CCC(=O)CC2)c1,SLFQIYBLMDWRNR-UHFFFAOYSA-N
-rxn:5:227917:178295:227702,CCc1ccc(OC)c(-c2ccc(-c3cc(C(=O)OC)cnc3F)cc2C2(C(=O)OC)CCC(=O)CC2)c1,MIJLLRKMMINMKC-UHFFFAOYSA-N
-rxn:5:227918:178295:227591,COC(=O)C1(c2cc(-c3ccc(C(F)F)cc3OC)ccc2-c2ccc(SC3CC3)cc2)CCC(=O)CC1,GGLMQPOXRHMLSP-UHFFFAOYSA-N
-rxn:5:227920:178295:225498,CCC(=O)c1ccc(-c2ccc(-c3cc(C4CCCCC4)ccc3F)cc2C2(C(=O)OC)CCC(=O)CC2)cc1,BOBYIMREAOQLKM-UHFFFAOYSA-N
-rxn:5:227935:178295:225666,CCc1cc(-c2ccc(-c3cc(F)cc(N4CCCCC4)c3)cc2C2(C(=O)OC)CCC(=O)CC2)ccc1OC,RLLFFPMAFQXXHY-UHFFFAOYSA-N
-rxn:5:227942:178295:225590,CCc1ccc(-c2ccc(-c3ccc(CN4CCCC4)c(F)c3)cc2C2(C(=O)OC)CCC(=O)CC2)c(OC)c1,QALMETXEQODCEE-UHFFFAOYSA-N
-rxn:4:173308:224598,COC(=O)c1ccc(-c2ccc(N3CCC(C)CC3)cc2OC)c(OCCC(F)(F)F)c1,UJAFIKBGMHTNOS-UHFFFAOYSA-N
-rxn:4:173452:222637,CCCCOc1cc(-c2ccc(C(C)NC(=O)OC(C)(C)C)cc2)cc(Cl)c1OC(C)C,IFVXVAWAOVXUAJ-UHFFFAOYSA-N
-rxn:4:173480:222611,COC(=O)c1cc(-c2cc(S(=O)(=O)N3CCNCC3)ccc2OC)cc(OC(=O)c2ccccc2)c1OC,TWYLEGNEYYZPPC-UHFFFAOYSA-N
-rxn:4:173508:225832,COc1cc(-c2c(C)nn(C3CCCCO3)c2C)ccc1OCCOC1CCCCO1,HQDJYPDLNHNJMN-UHFFFAOYSA-N
-rxn:4:173553:224336,CC(C)(C)OC(=O)c1cc(C(=O)OC(C)(C)C)cc(-c2ccc(N3CCCCC3)cc2C(F)(F)F)c1,VKFKWBLCTMMIMN-UHFFFAOYSA-N
-rxn:4:173554:224276,CC(C)(C)OC(=O)c1ccc(C(=O)OC(C)(C)C)c(-c2cn(C(=O)OC(C)(C)C)c3cccnc23)c1,CUYDPQHRMILKEN-UHFFFAOYSA-N
-rxn:4:173572:224890,CC(C)(C)OCc1cc(COC(C)(C)C)cc(-c2cc(C3CC3)cc(N3CCCC3)c2)c1,KOCHLBXKUBYOQP-UHFFFAOYSA-N
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-rxn:4:173802:222839,O=S(=O)(OC(c1ccc(-c2ccc(NCC3CCCCC3)nc2)cc1)C(F)(F)F)C(F)(F)F,JSQWGNJVBMWKRT-UHFFFAOYSA-N
-rxn:4:173802:222859,CN(C)CCNC(=O)c1ccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)cc1,CCCNOZXRETZLMC-UHFFFAOYSA-N
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-rxn:4:174289:223840,COc1ccc(-c2ccc(C(=O)CCS(=O)(=O)c3ccc(F)cc3)cc2)cc1S(=O)(=O)N1CCN(C)CC1,QDZRYTDKAHQMLJ-UHFFFAOYSA-N
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-rxn:4:174375:224420,COC(=O)C(C)(C)c1cc(OC)c(OC)cc1-c1cc2c(cc1C)C(C)(C)CCC2(C)C,GUTIUXWGMFRQDE-UHFFFAOYSA-N
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-rxn:4:174483:224396,COc1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)c(C)c2)cc1CO[Si](C)(C)C(C)(C)C,JYVIDNGBMOFBDG-UHFFFAOYSA-N
-rxn:4:174516:223767,CC(C)[Si](Oc1ccccc1-c1cc2ccc(C#N)cc2n1C(=O)OC(C)(C)C)(C(C)C)C(C)C,DIZJDXZKFCGJIH-UHFFFAOYSA-N
-rxn:4:174518:223774,COc1cccc2c1cc(-c1cc(O[Si](C(C)C)(C(C)C)C(C)C)ccc1F)n2C(=O)OC(C)(C)C,BWVXITUQAPBZPF-UHFFFAOYSA-N
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-rxn:4:174522:224301,CC(C)[Si](C#Cc1ccc(-c2cc(O[Si](C)(C)C(C)(C)C)cc(F)c2F)cc1)(C(C)C)C(C)C,PFXIVHQJBCFIBH-UHFFFAOYSA-N
-rxn:4:174524:225174,COc1cc(C=Cc2cccc(-c3ccc(F)cc3CN3CCOCC3)c2C)c(C(F)(F)F)cc1C1OCCO1,DSUSHACBMLYTRL-UHFFFAOYSA-N
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-rxn:4:174528:224761,COc1ccc(C)c(-c2c(C(C)C)cc(C(C)C)cc2C(C)C)c1-c1cccc(S(=O)(=O)N2CCCCC2)c1,SZRQSHWNBOGISD-UHFFFAOYSA-N
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-rxn:4:174642:222633,COc1ccc(S(=O)(=O)Oc2ccc3c(c2)OC(=Cc2cccc(-c4ccc(C(=O)NCCN5CCCC5)cc4)c2)C3=O)cc1,WMZFGHOJGKGPLO-UHFFFAOYSA-N
-rxn:4:174849:223526,COC(=O)CCc1ccccc1-c1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1,PLEYRTCCUOHNIK-UHFFFAOYSA-N
-rxn:4:174937:222519,CCOc1ccc(F)c(C(=O)C(F)(F)F)c1-c1cc(C(F)(F)F)ccc1NC(=O)OC(C)(C)C,PUJHOJADJPKFGI-UHFFFAOYSA-N
-rxn:4:175493:223776,COC(=O)C(C)(C)Cc1ccc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)CCO3)cc1,QLJRZFZZPDKYSD-UHFFFAOYSA-N
-rxn:4:175741:224325,C[Si](C)(C)C(F)(F)C(F)(F)Oc1ccccc1-c1ccc(C2=CCN(S(C)(=O)=O)CC2)cc1,SCWZDKSIBKUWOM-UHFFFAOYSA-N
-rxn:4:176168:222909,CC(C)[Si](c1c(F)cc(-c2ccnc(NC(=O)OC(C)(C)C)c2)cc1F)(C(C)C)C(C)C,ZSDAOJNMNYDGAQ-UHFFFAOYSA-N
-rxn:4:176170:223689,CCN1CCN(S(=O)(=O)c2cc(-c3ccccc3-c3ccccc3OCC3CCCCC3)ccc2OC)CC1,QKUCIXYZBFCLFT-UHFFFAOYSA-N
-rxn:4:176280:224379,CN1CCN(S(=O)(=O)c2ccccc2-c2cccc(C=C3Oc4cc(OS(=O)(=O)c5ccc(Cl)cc5)ccc4C3=O)c2)CC1,CBABBTOJIZOKQD-UHFFFAOYSA-N
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-rxn:4:176322:224895,CCC1(CC)CC(C)(C)c2c1cc1c(c2-c2ccc(-c3ccc(OC)cc3)cc2)C(C)(C)CC1(CC)CC,VGQXDLGTAYRWEB-UHFFFAOYSA-N
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-rxn:4:176419:223728,CCCCCC1CCC(c2ccc(-c3cc(C(F)(F)F)ccc3OC(F)F)c(F)c2)CC1,JRMASUUYSJAMQB-UHFFFAOYSA-N
-rxn:4:176711:223951,CSc1cc(-c2ccc(OCCN3CCN(C)CC3)c(F)c2)cc(C(=O)C(F)(F)F)c1F,HUDMNVMXKNBALI-UHFFFAOYSA-N
-rxn:4:176845:223559,COC(=O)c1ccc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)c(SC)c1,IXACOWQQDWPDKU-UHFFFAOYSA-N
-rxn:4:176911:223697,Cc1cccc(OCC(F)(F)F)c1-c1ccc(S(=O)(=O)N2CCCCC2)cc1C(F)(F)F,JGCJTOSXBFUGJY-UHFFFAOYSA-N
-rxn:4:177094:223506,C#Cc1ccc(-c2cccc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)c(OC(C)C)c1,CNGLMZDUHWPKAS-UHFFFAOYSA-N
-rxn:4:177154:223507,COc1ccc(-c2ccccc2S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c(CC(C)=O)c1,HQTWDZHRMXSPSH-UHFFFAOYSA-N
-rxn:4:177328:223637,COc1cc(-c2ccccc2C2CCCN(C(=O)OC(C)(C)C)C2)c(OC)cc1C(C)=O,YNFMPRJYHZJZOP-UHFFFAOYSA-N
-rxn:4:177486:222514,COc1ccc(-c2ccc(S(C)(=O)=O)cc2OC2CC2)cc1S(=O)(=O)NC1CCCCC1,ZBSSDXPBDDPMRT-UHFFFAOYSA-N
-rxn:4:178080:223562,COc1ccccc1-c1ccc(-c2ccc(CC3CCN(C(=O)OC(C)(C)C)CC3)cc2)c(C(F)(F)F)c1,RUKFVQLLXCVXSJ-UHFFFAOYSA-N
-rxn:4:178184:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2cc(OC(C)C)c(F)c(C3OCCO3)c2)cc1,ONLWGMKBHZLJEH-UHFFFAOYSA-N
-rxn:4:178269:224061,CCCC1CCC(c2ccc(-c3ccc(OC4CCCCC4)c(C(F)(F)F)c3)c(F)c2)CC1,LWPVBBNVQFJCCB-UHFFFAOYSA-N
-rxn:4:178293:224834,COC(=O)C1(c2ccccc2-c2cn(S(=O)(=O)N(C)C)nc2C(F)(F)F)CCC(=O)CC1,NNRWTVUGNFMZPU-UHFFFAOYSA-N
-rxn:4:178327:224146,COC(=O)C1(c2ccc(-c3c(C)cc(O[Si](C)(C)C(C)(C)C)cc3C)cc2)CCCCC1,GNFBEJDWCXNMQX-UHFFFAOYSA-N
-rxn:4:178382:223103,CC(C)(C)NS(=O)(=O)c1ccc(-c2cc(C(C)(C)C)c(C(C)(C)C)c(C(C)(C)C)c2)s1,FMYHXTSXDXGOCS-UHFFFAOYSA-N
-rxn:4:178382:224618,CC(C)(C)c1cc(-c2ccnc(CO[Si](C)(C)C(C)(C)C)c2)cc(C(C)(C)C)c1C(C)(C)C,HXGHVYIEYUQUAT-UHFFFAOYSA-N
-rxn:4:178382:225286,CC(C)(C)OC(=O)c1cnc(F)cc1-c1cc(C(C)(C)C)c(C(C)(C)C)c(C(C)(C)C)c1,JYKWEJCCHKBWEC-UHFFFAOYSA-N
-rxn:4:178384:224970,CC(C)(C)[Si](C)(C)Sc1ccc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)cc1,XRMSDBZJZYXHMY-UHFFFAOYSA-N
-rxn:4:178384:228467,COC(=O)c1cc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c(F)s1,KOMSWKHWTNGCFU-UHFFFAOYSA-N
-rxn:4:178384:228912,COc1cc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)cnc1Cl,VDUDOVWFDVAYHO-UHFFFAOYSA-N
-rxn:4:178384:229105,Cc1nc(Cl)ccc1-c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1,ZDWOYZAWAYODFF-UHFFFAOYSA-N
-rxn:4:178492:223559,CCC(=O)c1ccc2c(-c3ccc4c(c3)C(C)=CC(C)(C)N4C(=O)OC(C)(C)C)c(OC)ccc2c1,JEYCKQUYHWHCGR-UHFFFAOYSA-N
-rxn:4:178597:222417,CC(C)c1[nH]c(=O)ncc1-c1ccc(OC(=O)C2OC3OC(C)(C)OC3C3OC(C)(C)OC23)cc1,MEVZHJQWMOAXNZ-UHFFFAOYSA-N
-rxn:4:178597:226118,CCC(C)Oc1ccc(-c2ccc(OC(=O)C3OC4OC(C)(C)OC4C4OC(C)(C)OC34)cc2)cc1C,AXTQCNXBFJMKOD-UHFFFAOYSA-N
-rxn:4:178597:229200,Cc1cccc(-c2ccc(OC(=O)C3OC4OC(C)(C)OC4C4OC(C)(C)OC34)cc2)c1,LFSBPYFMMYNUOF-UHFFFAOYSA-N
-rxn:4:178701:223505,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(-c3cc(OC(F)(F)F)c(F)cc3F)cc2)CC1,SWEONBCMNHAQOL-UHFFFAOYSA-N
-rxn:4:179315:223787,CC(=O)c1cc(C(F)(F)F)c(-c2ccc(OCCCN3CCN(C)CC3)c(F)c2)cc1Cl,KWHLLDNPOCZJTE-UHFFFAOYSA-N
-rxn:4:179438:223559,COC(=O)c1cc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)cc(F)c1C,OBPICIJMJOXQEV-UHFFFAOYSA-N
-rxn:4:179653:222651,O=C(NC1CCCCC1)c1ccc(F)c(-c2cc(S(F)(F)(F)(F)F)cc(S(F)(F)(F)(F)F)c2)c1,AYGNNCHYELMDCW-UHFFFAOYSA-N
-rxn:4:179900:223599,CC(C)(C)OC(=O)n1c(-c2cc(C3OCCO3)cc(C(F)(F)F)c2)cc2cc(C(F)(F)F)ccc21,HCTZQQKPLCXHBG-UHFFFAOYSA-N
-rxn:4:180206:223588,Cc1cc(-c2ccc(C(=O)C3CCCC3)cc2F)cnc1N1CCN(C(=O)OC(C)(C)C)CC1,ZSMWVNIZOIJBCC-UHFFFAOYSA-N
-rxn:4:180493:223712,COc1ccc(-c2ccc(C3CCCCO3)c(C3CC3)c2)cc1C12CC3CC(CC(C3)C1)C2,ITEIYYVYCKGBPF-UHFFFAOYSA-N
-rxn:4:180507:224424,CCCC1CCC(c2ccc(-c3cc(C4OCCO4)c([Si](C)(C)C)c(F)c3F)cc2)CC1,KLSGASLHVNJSMW-UHFFFAOYSA-N
-rxn:4:180652:223606,COC(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c(F)c2)c2c1C=CCO2,HEPSFJJFRQMBES-UHFFFAOYSA-N
-rxn:4:180815:225226,COc1ccc(-c2cc(N3CCC(C)CC3)ncc2F)cc1C12CC3CC(CC(C3)C1)C2,MMXALQVNCXJKTQ-UHFFFAOYSA-N
-rxn:4:182018:223753,Cc1ccc(-c2ccccc2C2CC(=O)CC(=O)C2)cc1OCCCN1CCN(C)CC1,BCRQUQRTYAAZRB-UHFFFAOYSA-N
-rxn:4:182354:223902,COc1ccc(-c2ccc(OCCN3CCC(C)CC3)c(F)c2)c2c1OC1(CCCC1)C2,AMDJPLQQNDHDTR-UHFFFAOYSA-N
-rxn:4:182372:224252,CO[C@H]1CC[C@]2(CC1)Cc1ccc(-c3ccc(C(=O)N4CCCC(C)C4)c(F)c3)cc1C2=O,SEHFMYOAIOZSGD-YEJUVFKVSA-N
-rxn:4:182372:224664,CO[C@H]1CC[C@]2(CC1)Cc1ccc(-c3cc(F)cc(CN4CCN(C)CC4)c3)cc1C2=O,JEQUOSQFBHZUFH-HNKWHGCMSA-N
-rxn:4:182374:222613,CCCNS(=O)(=O)c1ccc(-c2cc3c(cc2C(C)=O)C(C)(C)CCC3(C)C)c(C(F)(F)F)c1,XCYGOCDBFYAIKJ-UHFFFAOYSA-N
-rxn:4:182376:222995,CO[C@H]1[C@H](C)C[C@@]2(Cc3ccc(-c4cccc(N5CCCC(O)C5)c4)cc3C2=O)C[C@@H]1C,SIOKIKDZVQMDCW-VVOKRFRBSA-N
-rxn:4:182376:225533,CCN(CC)Cc1cc(F)cc(-c2ccc3c(c2)C(=O)[C@@]2(C3)C[C@@H](C)[C@H](OC)[C@@H](C)C2)c1,VROHEHBPRXMGNM-CCMMMYSXSA-N
-rxn:4:182884:222521,CC(C)(C)OC(=O)Nc1cc(-c2ccc3c(c2)OC(F)(F)C(F)(F)O3)cc(C(F)(F)F)c1,YCEBFRNHGIQUBS-UHFFFAOYSA-N
-rxn:4:183068:223542,CC1Cc2c(-c3ccc(OC(F)(F)F)c(S(=O)(=O)N4CCN(C)CC4)c3)ccc(F)c2C1=O,DCMVXFCSQCDXNI-UHFFFAOYSA-N
-rxn:4:183268:223841,Cc1cc(F)c(-c2ccc3c(c2)C(C)(C)CCC3(C)C)cc1S(=O)(=O)N1CCN(C)CC1,QRAAVVHKTUQCAN-UHFFFAOYSA-N
-rxn:4:183270:223525,Cc1cc2c(cc1-c1cccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c1)C(C)(C)CCC2(C)C,JNVNCOWBFACDTL-UHFFFAOYSA-N
-rxn:4:183273:227629,Cc1nn(-c2ccsc2)cc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,ABKKHHLFQOIMKF-UHFFFAOYSA-N
-rxn:4:183273:229289,Cc1cscc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,BFFADQSKXYMOLU-UHFFFAOYSA-N
-rxn:4:183543:222704,CCOC(=O)Cc1c(-c2ccc(C3CCNCC3)c(C(F)(F)F)c2)ccc(C(F)(F)F)c1C#N,LGWCBDGNWOOUAO-UHFFFAOYSA-N
-rxn:4:183577:224404,CCOC(=O)Cc1c(-c2ccc(S(=O)(=O)N3CCOCC3)c(F)c2)ccc(C#N)c1OC,YXSNNNSVWAZOBB-UHFFFAOYSA-N
-rxn:4:183634:224320,Cc1ccc(S(=O)(=O)N2CCCCC2)cc1-c1cc(F)c(C#N)c(OCC(=O)OC(C)(C)C)c1,ATZITYDBPWEHQQ-UHFFFAOYSA-N
-rxn:4:183640:222681,COC(=O)C(C(=O)OC)c1cc(-c2cccc(CNC(=O)OC(C)(C)C)c2F)c(C)cc1[N+](=O)[O-],QASWLQFUHKODFG-UHFFFAOYSA-N
-rxn:4:183645:225155,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc(C(=O)N3CCOCC3)cc2)cc1OCC(F)F,LJVDTRQLFPAYDV-UHFFFAOYSA-N
-rxn:4:183662:222817,CCN(CC)Cc1ccc(OC(F)(F)F)c(-c2cc(S(=O)(=O)NC3CC3)ccc2OC)c1,WETSMMKLYDTZPF-UHFFFAOYSA-N
-rxn:4:183669:225894,COC(=O)CSC1CCN(C(=O)c2ccc(-c3cccc(COCC(F)(F)F)c3)o2)C1,GXTXGUGPUHNCSF-UHFFFAOYSA-N
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-rxn:4:197987:224501,CC1CCCN(C2CCCc3c(-c4ccc(OCC5CCCCN5C)cc4)cccc32)C1,IEVKRLCYSLICKX-UHFFFAOYSA-N
-rxn:4:197989:224409,CC1CCCCN1C1CCCc2cc(-c3cc(OCC(F)(F)F)cc(C(F)(F)F)c3)ccc21,XXJWALFSYBQQPY-UHFFFAOYSA-N
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-rxn:4:199637:226496,CCN(CC)c1cc(F)c(-c2ccc(S(=O)(=O)N3CCN=C3SCc3cccc(C(F)(F)F)c3)cc2)cn1,VEFVYWZQDVGZHA-UHFFFAOYSA-N
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-rxn:4:199663:225565,O=C(Cc1cccc(C(F)(F)F)c1)N1CCC(Oc2ccncc2-c2cccc(OCC3CCCO3)c2)C1,AEVBKBZINCMWMA-UHFFFAOYSA-N
-rxn:4:199673:227212,CCCCOc1ncccc1-c1ccc(OC)c(CCC(=O)N2CC(N3C(=O)CCC3=O)C2)c1,GQSLTIAYJLIOPT-UHFFFAOYSA-N
-rxn:4:199679:223972,CC1CCCCN1c1ccc(-c2cccnc2OC2CCN(C(=O)COc3ccccc3F)CC2)c(C(F)(F)F)c1,GBUYMRYPZCQWNI-UHFFFAOYSA-N
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-rxn:4:201101:223167,CC1=C(C(=O)OCC(C)C)C(c2ccc(-c3ccnc(N4CCNCC4)c3)cc2)N2C(=O)C(C)SC2=N1,GZCGQUOSUYJKLK-UHFFFAOYSA-N
-rxn:4:201101:223168,CC1=C(C(=O)OCC(C)C)C(c2ccc(-c3cccnc3N3CCNCC3)cc2)N2C(=O)C(C)SC2=N1,NNJFLZPZFQTOCF-UHFFFAOYSA-N
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-rxn:4:201143:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3ccccc3CCC(=O)N3CCC(N4CCc5sccc5C4)CC3)cc2)CC1,JXSIKYJPRCLMKX-UHFFFAOYSA-N
-rxn:4:201144:224357,COc1nc2ccc(C(F)(F)F)cc2cc1-c1ccc2c(c1)N(CC1CCN(C(=O)OC(C)(C)C)CC1)C(=O)CO2,VZCVHAAXXBTDIK-UHFFFAOYSA-N
-rxn:4:201147:226675,CCCCN1C(=O)C(=C2SC(=S)N(Cc3ccc(C)cc3)C2=O)c2cc(-c3cnc(C4CCCC4)nc3Cl)ccc21,NEWQTCIZVLHDQS-UHFFFAOYSA-N
-rxn:4:201147:228874,CCCCN1C(=O)C(=C2SC(=S)N(Cc3ccc(C)cc3)C2=O)c2cc(-c3cc(C#N)cnc3Cl)ccc21,ISKFBHLXEXUTHW-UHFFFAOYSA-N
-rxn:4:201150:226005,CC(C)(C)OC(=O)N1CCC(CN2CCc3cc(-c4ccc(OCC(F)(F)F)c(F)c4)ccc3C2)CC1,PEGOIQHVQYIYKF-UHFFFAOYSA-N
-rxn:4:201644:223505,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(-c3cc(C4CN(C(=O)OC(C)(C)C)C4)on3)cc2)CC1,UPIFGOKYTWVWFT-UHFFFAOYSA-N
-rxn:4:201814:225656,CCOC(=O)c1nc(N2CCC(F)(F)CC2)ccc1-c1cncc(N2CCCCC2C)c1,LCYADCYDYYUUNE-UHFFFAOYSA-N
-rxn:4:201815:224936,CN1CCN(C(=O)c2cc(-c3ccc(CC(=O)OC(C)(C)C)cc3)ccc2OC(F)(F)F)CC1,OXVNIXVTLWHPNK-UHFFFAOYSA-N
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-rxn:4:201927:223080,CC(C)NS(=O)(=O)c1ccc(-c2csc(C3CCN(C(=O)OC(C)(C)C)CC3)n2)cc1,RMVNFSGNXUCPDI-UHFFFAOYSA-N
-rxn:4:201949:224170,COC(=O)c1ccc(-c2ccc(OCCCN3CCCC3)c(Cl)c2)cc1CN1CCN(C)CC1,XCJWKVLLUKXNSV-UHFFFAOYSA-N
-rxn:4:201950:222447,COc1ccc2c(c1-c1ccc(C3CCN(C(=O)OC(C)(C)C)C3)nc1)N=C(NC(=O)OC(C)(C)C)C2,JLXOBPHETRYIIL-UHFFFAOYSA-N
-rxn:4:201967:225803,COc1cc(S(=O)(=O)N2CCN(C(C)=O)CC2)ccc1-c1ccnc(OC2CCOCC2)c1,HCUADVKWZDLKQU-UHFFFAOYSA-N
-rxn:4:201998:225982,CC(C)(C)OC(=O)N1CCOCC1c1cc(-c2cnc(N3CCOCC3)cc2F)ccn1,HBFSDPZBCZSTGP-UHFFFAOYSA-N
-rxn:4:201999:225984,CC(C)(C)OC(=O)N1CCOCC1c1cccc(-c2cnc(Cl)c(N3CCOCC3)c2)n1,MZPLYKYRIHSTGH-UHFFFAOYSA-N
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-rxn:4:202062:224781,CCOC(=O)C1CCC(n2nc(C)c(-c3ccc(C4CCCO4)c(C(F)(F)F)c3)c2C)CC1,OBRKWZMFTHSCKL-UHFFFAOYSA-N
-rxn:4:202069:225556,CC(C)(C)OC(=O)c1cccc(-c2cncc(C(=O)N3CCC(S(=O)(=O)C(C)(C)C)C3)c2)c1,SYCGNHZUJMGNOY-UHFFFAOYSA-N
-rxn:4:202078:223818,Cc1cc(OC2CCN(C(=O)c3ccc(-c4c(F)cc(F)c5c4ccn5C(=O)OC(C)(C)C)o3)C2)cc(=O)n1C,RGPXWOCASONPAH-UHFFFAOYSA-N
-rxn:4:202099:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2cc(C3CCN(C(=O)OC(C)(C)C)CC3)ccn2)cc1,GXFZDPMMTHVDEF-UHFFFAOYSA-N
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-rxn:4:202132:226794,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(N4CCSCC4)nc3)cc2Cl)CC1,AJLNDONVFHDITQ-UHFFFAOYSA-N
-rxn:4:202166:225080,COC(=O)C1CCc2cc(-c3cccc(CN4CCCN(S(=O)(=O)C5CC5)CC4)c3)ccc2O1,JBUSDSSVHSYCTA-UHFFFAOYSA-N
-rxn:4:202196:222580,O=S1(=O)CCC(CN2CCC(Oc3ccncc3-c3ccc(S(=O)(=O)NC4CC4)c4ccccc34)C2)CC1,UUXWIMODDQHFET-UHFFFAOYSA-N
-rxn:4:202215:222944,COc1ccc(-c2ccc(S(=O)(=O)NC3CC3)cc2F)cc1S(=O)(=O)N1CCN(c2ccc(F)cc2)CC1,JPIWZJPAAYZRTI-UHFFFAOYSA-N
-rxn:4:202222:223098,CC(=O)NS(=O)(=O)c1ccc(-c2cc(C3CCN(C(=O)OC(C)(C)C)CC3C)ccn2)cc1,XLHUOMDKEADYOT-UHFFFAOYSA-N
-rxn:4:202238:222674,Cc1cc(C(=O)CN2CCOCC2)c(C)n1-c1ccc(-c2cccc(C(=O)NC3CCCCC3)c2F)cc1,GFVQOCOVPJNVKE-UHFFFAOYSA-N
-rxn:4:202244:223698,CN1CCN(Cc2ccccc2C(=O)c2ccc(-c3ccc(OC(F)(F)F)c(S(=O)(=O)N4CCCC4)c3)cc2)CC1,GHGBESMMVDSXIJ-UHFFFAOYSA-N
-rxn:4:202263:224842,CN(C)S(=O)(=N[Si](C)(C)C(C)(C)C)c1ccc(-c2ccc3c(c2)C(C)(C)CCC3(C)C)cc1,LOQAKRXGNYCLIG-UHFFFAOYSA-N
-rxn:4:202264:224750,O=C(c1cc(-c2cccc(C(=O)N3CCCSCC3CN3CCCC3)c2)ccc1Cl)N1CCOCC1,NEUKLAPXPQCESF-UHFFFAOYSA-N
-rxn:4:202285:224682,COC1CCN(Cc2ccc(-c3ccc(C(=O)N4CCCCC4)c(Cl)c3)cc2N2CCCC2)CC1,CDXSANJMEVYVFR-UHFFFAOYSA-N
-rxn:4:202286:226336,CC(=O)N1CCN(S(=O)(=O)c2cc(C)c(-c3cc(C#N)c(C4CC4)cc3Cl)cc2C(C)C)CC1,QGWRAJYSJHIXOC-UHFFFAOYSA-N
-rxn:4:202292:223687,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3ccc(CN4CCC(C(F)(F)F)CC4)c(N4CCOCC4)c3)cn2)CC1,VCSIFRANSAIWKW-UHFFFAOYSA-N
-rxn:4:202293:223557,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc(C4CC(C(C)(C)C)=NN4S(=O)(=O)c4ccccc4)cc3)c(F)ccc21,MGLADBPBXIGZSC-UHFFFAOYSA-N
-rxn:4:202297:223872,CCN(C(=O)c1cccc(-c2ccc(S(=O)(=O)N3CCN(c4ccccc4C)CC3)cc2OC)c1)C1CCCCC1,VHCLPWARAFBKBW-UHFFFAOYSA-N
-rxn:4:202301:223926,Cc1ccc(C)c(S(=O)(=O)N2CCC(Oc3ncccc3-c3ccc(CN4CCC5(CC4)OCCO5)cc3)CC2)c1,ZOISYCRQPGDIJW-UHFFFAOYSA-N
-rxn:4:202310:224325,CS(=O)(=O)N1CC=C(c2ccc(-c3ccc(S(=O)(=O)N4CCCSCC4CN4CCOCC4)cc3)cc2)CC1,QVSYHBASBMNOSZ-UHFFFAOYSA-N
-rxn:4:202310:228097,CN(C)Cc1cncc(-c2ccc(S(=O)(=O)N3CCCSCC3CN3CCOCC3)cc2)c1,JLTDTGBGHVRWII-UHFFFAOYSA-N
-rxn:4:202320:227407,CC(C)(C)c1ncc(Cl)cc1-c1cc(F)cc(N2CCN(O[Si](C)(C)C(C)(C)C)CC2)c1,FMWCFFVHVRLZPW-UHFFFAOYSA-N
-rxn:4:202328:222420,COC1CCN(C2CCN(S(=O)(=O)c3ccccc3-c3ccccc3S(N)(=O)=O)CC2)CC1,CGPSBIRXDIENTF-UHFFFAOYSA-N
-rxn:4:202328:223225,CCNC(=O)c1ccccc1-c1ccccc1S(=O)(=O)N1CCC(N2CCC(OC)CC2)CC1,SLSGIGCTRQLTSO-UHFFFAOYSA-N
-rxn:4:202328:224505,COC1CCN(C2CCN(S(=O)(=O)c3ccccc3-c3ccc(OCc4ccccc4)nc3C)CC2)CC1,KQTNRIJBTFPHHV-UHFFFAOYSA-N
-rxn:4:202328:227501,COC1CCN(C2CCN(S(=O)(=O)c3ccccc3-c3ccc(C=C[N+](=O)[O-])cc3)CC2)CC1,GYIVOWYYCXFHEG-UHFFFAOYSA-N
-rxn:4:202340:226564,COc1cc(OC)c(OC)c(-c2ccc(C(=O)N3CCC4(CC3)OCCN4S(=O)(=O)c3ccc(F)c(C)c3)o2)c1,YYQNZDYIGNCBNM-UHFFFAOYSA-N
-rxn:4:202349:223239,Cc1ccc(S(=O)(=O)N2CCOC23CCN(C(=O)c2ccc(-c4cncc(C5CCCN5)c4)cc2)CC3)cc1,ACXZVUHILIHMFV-UHFFFAOYSA-N
-rxn:4:202350:224754,Cc1cc(S(=O)(=O)N2CCOC23CCN(C(=O)c2cccc(-c4ccccc4S(=O)(=O)N4CCCCC4)c2)CC3)ccc1F,FDOKDYKUBLTJRM-UHFFFAOYSA-N
-rxn:4:202501:224161,C#CCn1c(=NC(=O)C(C)(C)C)sc2cc(-c3ccc4c(c3)CN(C(=O)OC(C)(C)C)C4)ccc21,IPNLPKNFTROBOI-UHFFFAOYSA-N
-rxn:4:202519:224679,CC(C)(C)OC(=O)N1CCc2cc([N+](=O)[O-])c(-c3cc(Cl)cc(C(=O)N4CCCCC4)c3)cc2C1,FZFQTDKWFALSSR-UHFFFAOYSA-N
-rxn:4:202567:225158,CCCC(=O)N=C1SC2CS(=O)(=O)CC2N1c1ccc(-c2ccc(C(=O)N3CCSCC3)cc2)cc1,JZPGDZVDZXAEFM-UHFFFAOYSA-N
-rxn:4:202594:222724,CCOC(=O)c1cnc2c(-c3cnc(N4CCNCC4)c(C(F)(F)F)c3)cccc2c1N1CCCCC1,VHVSLFBMPPIBDU-UHFFFAOYSA-N
-rxn:4:202653:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2cccc3cc(C4CN(C(=O)OC(C)(C)C)CCO4)cn23)cc1,IGEFEVQONVZQQE-UHFFFAOYSA-N
-rxn:4:202656:223080,CC(C)NS(=O)(=O)c1ccc(-c2cc3c(N4CCN(C(=O)OC(C)(C)C)CC4)cccc3s2)cc1,ABMYJEYTXNXCAI-UHFFFAOYSA-N
-rxn:4:202657:222929,CCOC(=O)c1cnc2c(-c3cnc(Cl)c(N4CCC(O)CC4)c3)cccc2c1N1CCC(C)CC1,XWMJIAQXQWHZCE-UHFFFAOYSA-N
-rxn:4:202723:222673,O=C(NC1CCCCC1)c1ccc(Cl)c(-c2ccc(S(=O)(=O)c3c(C(=O)N4CCCCC4)cnc4ccc(Cl)cc34)cc2)c1,JPXPPVIDPPAVSQ-UHFFFAOYSA-N
-rxn:4:202793:223970,Cc1ccc(-c2ccc3oc4c(c(=O)c3c2)C(c2ccc(OC(C)C)cc2)N(c2nccs2)C4=O)cc1S(=O)(=O)N1CCC(C)CC1,XEBKCMBFBKCCOR-UHFFFAOYSA-N
-rxn:4:203244:223645,CCOC(=O)C1CCCN(C(=O)c2cccc(-c3ccc(C(=O)ON4C(=O)CCC4=O)c(F)n3)c2)C1,OBJXZUXMRUMDHT-UHFFFAOYSA-N
-rxn:4:203684:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cncc(S(=O)(=O)N2CCOCC2)c1OC,YUBILYDOQROMBP-UHFFFAOYSA-N
-rxn:4:203712:222495,O=C(Nc1cccc(-c2ccc(S(=O)(=O)N3C=CC(C(F)(F)F)=NCC3)cc2)c1F)OCc1ccccc1,DTUDGMRDSQBBGH-UHFFFAOYSA-N
-rxn:4:203811:222719,CC1CCN(C(=O)Cc2cncc(-c3cc(C4CCCNC4)nc(C(F)(F)F)c3)c2)CC1,RBVDSIOIZDFFEC-UHFFFAOYSA-N
-rxn:4:203832:222694,CN1CCN(C(=O)c2ccc(-c3cccc(S(=O)(=O)NC4CCCCC4)c3)cc2C(F)(F)F)CC1,VDIXNAZUNROEIZ-UHFFFAOYSA-N
-rxn:4:203874:224405,CN1CCN(CCc2ccc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCCC3)c(F)c2)CC1,YDYMBHUGIBTRQY-UHFFFAOYSA-N
-rxn:4:203885:224252,CCN1CCN(S(=O)(=O)c2cccc(-c3ccc(C(=O)N4CCCC(C)C4)c(F)c3)c2)CC1,USGXMVJGKGAQIG-UHFFFAOYSA-N
-rxn:4:203922:222612,Cc1cc(-c2cc(S(=O)(=O)N3CCC(O)CC3)ccc2F)cnc1N(C)CC1CCOCC1,XNUDXLSMFWZNPW-UHFFFAOYSA-N
-rxn:4:203928:224710,CCCCOc1cc(-c2cccc(CN3CCN(C4CC4)CC3)c2Cl)cc(C(F)(F)F)c1,LQKQAMRINIUMPP-UHFFFAOYSA-N
-rxn:4:203930:223491,COc1cc(N2CCCCC2C)c(-c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)cc(C(F)(F)F)c2)cc1[N+](=O)[O-],HAUHSRNRIPLJEQ-UHFFFAOYSA-N
-rxn:4:203940:222901,CCCS(=O)(=O)NCc1ccc(-c2ccccc2N2CCN(S(=O)(=O)C3CC3)CC2)cc1,ZYJUWWVTQYBBGH-UHFFFAOYSA-N
-rxn:4:203952:223644,CCOC(=O)C1CCCN(C(=O)c2ccc(-c3cncc(CC4CCCN(C(C)=O)CC4)c3)cc2)C1,AKEKCSSYBAJHCT-UHFFFAOYSA-N
-rxn:4:203964:224460,CC(=O)N(C)C1CCN(c2cccc(-c3cc(C4CC4)cc(N4CCCCC4)c3)c2)CC1,DTFSRJJTHWORDO-UHFFFAOYSA-N
-rxn:4:203976:222862,CCCCNC(=O)c1ccc(-c2cc(Cl)c(S(=O)(=O)N3CCN(C(C)=O)CC3)cc2C)cc1F,KBJPIMGGWDTWLU-UHFFFAOYSA-N
-rxn:4:204020:224460,O=C(C1CCC1)N1CCN(c2ccc(-c3cc(C4CC4)cc(N4CCCCC4)c3)cc2)CC1,IXVBFYORTPDRRF-UHFFFAOYSA-N
-rxn:4:204054:223175,CCS(=O)(=O)Nc1cccc(-c2ccc(C(=O)N3CCCN(C4CCOC4)CC3)o2)c1,CLWZLEMCCYEXHW-UHFFFAOYSA-N
-rxn:4:204109:226309,CCOC(=O)c1cc(C)cc(-c2ccccc2S(=O)(=O)N2CCC(N3C(=O)COCC3=O)CC2)c1,VJZSPCWQMJYXMP-UHFFFAOYSA-N
-rxn:4:204133:222744,CC(C)(C)OC(=O)NCc1ccccc1-c1ccc(CN2CCOCC2)c(N2CCCCC2)c1,DPTFZJDOQDTLJI-UHFFFAOYSA-N
-rxn:4:204135:223175,CCS(=O)(=O)Nc1cccc(-c2ccccc2S(=O)(=O)N2CCCN(C3CCSC3)CC2)c1,VOPONRKVGZNPHG-UHFFFAOYSA-N
-rxn:4:204151:226115,CC(C)CC(=O)c1cccc(-c2cc(CN3CCC(F)(F)CC3)cc(N3CCCCC3)c2)c1,NLWXWXJIMDFNKK-UHFFFAOYSA-N
-rxn:4:204152:225541,CCN(CC)Cc1cc(-c2ccc(CN3CCC(F)(F)CC3)c(N3CCCCC3)c2)ccc1F,PYPYIWMGNHSVHN-UHFFFAOYSA-N
-rxn:4:204152:227765,FC(F)(F)CCn1ccc(-c2ccc(CN3CCC(F)(F)CC3)c(N3CCCCC3)c2)n1,KMYWVRJJZXHNGF-UHFFFAOYSA-N
-rxn:4:204153:223569,Cc1ccc(N2CCN(S(=O)(=O)c3ccc(-c4cnc5c(ccn5[Si](C(C)C)(C(C)C)C(C)C)c4F)c(C)c3)CC2)cc1,QBHFZEVXHMTJDF-UHFFFAOYSA-N
-rxn:4:204162:222778,CC(C)(C)OC(=O)NCc1cncc(-c2ccc(C3=NC4(CCCCC4)N(C(=O)c4ccccc4)C3=S)cc2)c1,HNDFFIWIRHANGO-UHFFFAOYSA-N
-rxn:4:204170:222968,CC(C)CNC(=O)c1ccc(-c2ccc(CN3CCCCC3C)c(N3CCCCC3)c2)cc1,CEIPQFWTDMLPEY-UHFFFAOYSA-N
-rxn:4:204177:224793,CC(C)COc1ncc(C(F)(F)F)cc1-c1ccc(C2=NC3(CCCCCC3)N(C(=O)c3ccc(F)cc3)C2=S)cc1,WYNPUYJVCKAIEG-UHFFFAOYSA-N
-rxn:4:204568:222624,CC(C)Cc1cc(-c2cc(Cl)c3cccnc3c2OC(=O)N2CCOCC2)cc(C2CCNCC2)n1,DMMRCRWYYRMNLF-UHFFFAOYSA-N
-rxn:4:204604:223637,CC(C)(C)OC(=O)N1CCc2cc(-c3ccccc3C3CCCN(C(=O)OC(C)(C)C)C3)cnc2C1,XQERHBCBAHNBMQ-UHFFFAOYSA-N
-rxn:4:204659:222724,CC(C)(C)OC(=O)N1CC2(C1)OCc1cc(-c3cnc(N4CCNCC4)c(C(F)(F)F)c3)cnc12,RQVQAIRDHHPXAV-UHFFFAOYSA-N
-rxn:4:204697:225999,COC(=O)C1=C(C)N=C2SC(C)C(=O)N2C1c1ccc(-c2ccc(C(=O)OC)cc2[N+](=O)[O-])cc1,PXEDNZVNYXBVGG-UHFFFAOYSA-N
-rxn:4:204700:225728,CCCCOc1ccc(-c2ccc(C(=O)N3CC(N4C(=O)C5CC=CCC5C4=O)C3)o2)c(F)c1F,GXHXCMXHMAWXOS-UHFFFAOYSA-N
-rxn:4:204706:224331,O=C(N=C1SC2CS(=O)(=O)CC2N1c1ccc(-c2ccc(-c3ccc(C(F)(F)F)cc3)nc2)cc1F)C1CC1,VDASCHOJWRSSJB-UHFFFAOYSA-N
-rxn:4:204764:225685,O=C1C2CC=CCC2C(=O)N1C1CN(S(=O)(=O)c2ccc(-c3cnc(Cl)c(C4CCCCC4)c3)cc2)C1,GNJPNWLDQCGFSU-UHFFFAOYSA-N
-rxn:4:204764:228928,O=C1C2CC=CCC2C(=O)N1C1CN(S(=O)(=O)c2ccc(-c3cccnc3C(F)F)cc2)C1,BTHFZUYISYEKCG-UHFFFAOYSA-N
-rxn:4:204807:224375,Cc1ccc(N2C(=NC(=O)c3ccc(-c4ccc(C(=O)ON5C(=O)CCC5=O)cc4)cc3)SC3CS(=O)(=O)CC32)cc1,GFVUPYLSRIOYBR-UHFFFAOYSA-N
-rxn:4:204846:224766,Cc1ccc(C)c(N2C(=O)N(Cc3ccc(-c4cc(N5CCCC5)cc(C(F)(F)F)c4)cc3F)C3CS(=O)(=O)CC32)c1,HXUOTGKKEFOHJG-UHFFFAOYSA-N
-rxn:4:204864:223120,Cc1cc(N2C=C(C(=O)N3CCCCC3)S(=O)(=O)c3ccccc32)ccc1-c1cccc(C(=O)NC2CC2)c1,OBFSSAXYOKJZMJ-UHFFFAOYSA-N
-rxn:4:204927:223660,COc1cccc(C2c3c(oc4ccc(-c5ccc(CN6CCN(C(=O)OC(C)(C)C)CC6)s5)cc4c3=O)C(=O)N2c2cc(C)on2)c1,UJPHOIFDOABNQM-UHFFFAOYSA-N
-rxn:4:205478:223497,CC(c1ccc(-c2ccnc(C(C)(C)C#N)c2)cc1)N1CCC(O[Si](C)(C)C(C)(C)C)CC1,PORGUNALTDKGHW-UHFFFAOYSA-N
-rxn:4:206388:223595,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cncc(C(=O)N4CCSCC4)c3)cc2F)CC1,BZWQDIHTIZBWEV-UHFFFAOYSA-N
-rxn:4:206388:223596,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)ccc2-c2cncc(C(=O)N3CCSCC3)c2)CC1,BNMWQCOCZZFIIQ-UHFFFAOYSA-N
-rxn:4:206435:223669,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(Cl)cc3C(=O)N3CCSCC3)cn2)CC1,CWBXNQKDEORZOA-UHFFFAOYSA-N
-rxn:4:206578:223644,CCOC(=O)C1CCCN(C(=O)c2ccc(-c3ccc(C4CCCN4C(C)=O)cn3)cc2)C1,OWDAJIGMGDZJHV-UHFFFAOYSA-N
-rxn:4:206740:223593,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc(N4CCC(F)(F)CC4)c([N+](=O)[O-])c3)cc2Cl)CC1,GWBUISNSRWTLLQ-UHFFFAOYSA-N
-rxn:4:206764:224491,CC(C)N(Cc1cc(-c2cnc(N3CCCC(C(F)(F)F)C3)c(F)c2)ccc1F)C(C)C,WVVKWWCQHOTURU-UHFFFAOYSA-N
-rxn:4:206795:223534,CC(C)(C)OC(=O)N1CCC(Oc2cc(-c3ccc(-c4csc(N5CCCC5)n4)cc3)c(F)cn2)CC1,ZXGODRQXYZVFHD-UHFFFAOYSA-N
-rxn:4:206842:222514,COc1ccc(-c2ccccc2C(=O)N2CCN(C)CC2)cc1S(=O)(=O)NC1CCCCC1,RPKYIILJRHTCDV-UHFFFAOYSA-N
-rxn:4:206863:223652,COc1ccc(Cl)c2cc(-c3cc(Cl)cc(C(=O)N4CCN(C)CC4)c3)n(C(=O)OC(C)(C)C)c12,RDDMLTVPFCPHNT-UHFFFAOYSA-N
-rxn:4:206873:222520,CN1CCN(C(=O)c2cc(Cl)c(F)cc2-c2ccc(C(F)(F)F)c(NC(=O)OC(C)(C)C)c2)CC1,DTMKTIMQTUEORK-UHFFFAOYSA-N
-rxn:4:206919:223689,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(Cl)cc3CN3CCN(C)CC3)ccc2OC)CC1,MAHACGKYLBVMLL-UHFFFAOYSA-N
-rxn:4:206943:223872,CCN(C(=O)c1cccc(-c2sc(C3CCN(S(C)(=O)=O)CC3)nc2C)c1)C1CCCCC1,QMPULEOEGCVVHJ-UHFFFAOYSA-N
-rxn:4:206962:222723,CS(=O)(=O)N1CCCC(c2ccc(-c3cccc(NS(=O)(=O)N4CCOCC4)c3)cn2)C1,SJLYHRWVLQNCTL-UHFFFAOYSA-N
-rxn:4:206976:224818,CN1CCN(S(=O)(=O)c2ccc(F)c(-c3ccc(S(=O)(=O)N4CCSCC4)cc3)c2)CC1,KQGDVZBLFJLKMH-UHFFFAOYSA-N
-rxn:4:206976:224829,COC(=O)c1ccc(-c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2F)cc1OC(F)(F)F,SHOPXWYCTUXMSK-UHFFFAOYSA-N
-rxn:4:207061:223994,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cccc(S(=O)(=O)N2CCCN(C)CC2)c1,FFKUKOVOQWHNPN-UHFFFAOYSA-N
-rxn:4:207081:224672,CCN1CCN(c2ccc(-c3cncc(C(=O)N4CC5(COC(C)(C)OC5)C4)c3)c(Cl)c2)CC1,MFLJXQLFTRSQJD-UHFFFAOYSA-N
-rxn:4:207426:223474,CCn1ncc(-c2ccc(OCc3ccccc3)c(C34CC5CC(CC(C5)C3)C4)c2)c1C12CCCC1O2,YCUDTJXKCAVQDW-UHFFFAOYSA-N
-rxn:4:207795:225345,COc1ccc(S(=O)(=O)N(C)C)cc1-c1cncc(C(=O)N2C3CCC2CC(=C2CC2)C3)c1,HROBHIRISXKUQW-UHFFFAOYSA-N
-rxn:4:207856:225469,CC1CCCN(c2ccc(-c3ccc4c(c3)CCCC4N3CCN(C(C)C)CC3)cc2)C1,QUMCBPHWQNSUBD-UHFFFAOYSA-N
-rxn:4:207959:226645,Cc1ccc(C2=NN3C(C2)c2cc(-c4ccnc(N5CCOCC5)c4)ccc2OC3C2CCCCC2)cc1,NIJDIZKLBHEINS-UHFFFAOYSA-N
-rxn:4:209611:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3nccc(C4CCOCC4)n3)cc21,LRQFXZVDGINQAF-UHFFFAOYSA-N
-rxn:4:210292:223497,CC(c1ccc(-c2ccc3ncc([N+](=O)[O-])c(Cl)c3c2F)cc1)N1CCC(O[Si](C)(C)C(C)(C)C)CC1,MJMSSIGNVJCOCV-UHFFFAOYSA-N
-rxn:4:210833:223811,Cn1ncc(-c2ccc(CN3CCC4(CC3)OCCO4)c(Cl)c2)c1C12CCCCC1O2,QBIGRCIZLFKSCU-UHFFFAOYSA-N
-rxn:4:210872:223540,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1nsc2nc(C)c(C(C)C)c(C)c12,DGXFOCMFMBBQKN-UHFFFAOYSA-N
-rxn:4:211073:224863,CC(C)N(Cc1ccccc1-c1ccc2c(c1)N1CCCCC1=C(C#N)S2(=O)=O)C(C)C,AACHDZXMDKYIQC-UHFFFAOYSA-N
-rxn:4:211091:223533,CN1C(=O)c2oc3ccc(-c4ccc(CN5CCN(C(=O)OC(C)(C)C)CC5)cc4F)cc3c(=O)c2C1c1ccncc1,PORXNYOKVYUFJD-UHFFFAOYSA-N
-rxn:4:211100:226444,Cc1nc(C2CCCO2)ccc1-c1ccc2c(c1)C1CC(c3ccc(Cl)cc3)=NN1C1(CCC(C)CC1)O2,QIZOIWYGEZFUKG-UHFFFAOYSA-N
-rxn:4:211101:225047,Cc1ccc(C2=NN3C(C2)c2cc(-c4cnc(N5CCC(C)CC5)c(C)c4)ccc2OC32CCC(C)CC2)cc1,FVYLQJWAKWBDOK-UHFFFAOYSA-N
-rxn:4:212520:223888,CN(CCn1cc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CCC3)cn1)C(=O)OC(C)(C)C,ZYJBUEWLAGZKDF-UHFFFAOYSA-N
-rxn:4:212526:226554,CCCOc1cc(F)c(-c2cc([N+](=O)[O-])ccc2OCCN2CCC(C#N)CC2)cc1F,NACMRPYDCLATKF-UHFFFAOYSA-N
-rxn:4:212539:224842,CCN(Cc1c(-c2ccc3c(c2)C(C)(C)CCC3(C)C)cnn1C)C(=O)OC(C)(C)C,VDNFBUXKVKMSLX-UHFFFAOYSA-N
-rxn:4:212542:223812,CCOCC(=O)N1CCCC(Oc2ncc(-c3cc(F)cc(CN4CCC5(CC4)OCCO5)c3)cn2)C1,PMZJBIWOXIRUFO-UHFFFAOYSA-N
-rxn:4:212581:225312,CN1CCCN(c2ncc(-c3ccc(CSC4=NCCN4S(=O)(=O)c4ccc([N+](=O)[O-])cc4)cc3)cn2)CC1,HFVHBGUZFIBVSR-UHFFFAOYSA-N
-rxn:4:212607:222888,CCC(CC)C(=O)N1CCC(Oc2ncc(-c3ccc(CN4CCNCC4)c(Cl)c3)cn2)CC1,AOYYVLABWXWHKG-UHFFFAOYSA-N
-rxn:4:212630:225727,CCOC(=O)c1ccc(OC)c(-c2cncc(C(=O)N3CCCC(COc4ncccc4C(F)(F)F)C3)c2)c1,PFMSELOQSZLKCV-UHFFFAOYSA-N
-rxn:4:212639:225561,CC(C)(C)OC(=O)c1ccccc1-c1cncc(CC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1,CTVKTFDXWGSARD-UHFFFAOYSA-N
-rxn:4:212656:223590,COC(=O)c1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)c(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2C)c1,YXUCLSNJCUNGSL-UHFFFAOYSA-N
-rxn:4:212662:224400,COc1ccc(CN2CCCC(COc3ncc(-c4ccc(N5CCOCC5)c(C(F)(F)F)c4)cn3)C2)cc1,SEPFCBUQJXJUHZ-UHFFFAOYSA-N
-rxn:4:212711:222930,CC(C)(C)c1ccc(OCC2CCN(C(=O)c3ccc(-c4cnc(Cl)c(N5CCCC(O)C5)c4)o3)CC2)nn1,MBNYUAOLUBGFIS-UHFFFAOYSA-N
-rxn:4:212725:223185,CC(C)(C)c1ccc(OCC2CCN(C(=O)c3ccc(-c4cnc(C5CNCCO5)nc4)cc3)CC2)nn1,CLEFVFJEVCMEOB-UHFFFAOYSA-N
-rxn:4:212730:222854,COc1ccc(-c2noc(C3CCCN(S(=O)(=O)c4ccc(-c5cc(C6CCCNC6)ccc5OC)cc4)C3)n2)c(OC)c1,ZJJVANFMTSLNFK-UHFFFAOYSA-N
-rxn:4:212737:223282,CC(C)(C)OC(=O)N1CCN(c2cc(CN3CCOCC3)cc(-c3cc(F)c(Cl)c4[nH]ncc34)c2)CC1,ZOSABRLPANUCOY-UHFFFAOYSA-N
-rxn:4:212738:223282,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cc(F)c(Cl)c4[nH]ncc34)cc2N2CCOCC2)CC1,FGTIRECNYQOUIZ-UHFFFAOYSA-N
-rxn:4:212738:227607,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cnn(-c4ccccn4)c3)cc2N2CCOCC2)CC1,MHFFJUFBWLMRPO-UHFFFAOYSA-N
-rxn:4:212741:228433,COc1ccc(Cl)c(F)c1-c1ccc(CN2CCN(C(=O)OC(C)(C)C)C(C)C2)c(N2CCCC2)c1,VEROTMFLTCURLD-UHFFFAOYSA-N
-rxn:4:212743:226128,CC(C)(C)OC(=O)N1CCC(CN2CCN(c3ccc(-c4ccc(C(=O)CC5CC5)cc4)cc3)CC2)CC1,PETHVBISCVTDEK-UHFFFAOYSA-N
-rxn:4:212743:226817,CC(C)(C)OC(=O)N1CCC(CN2CCN(c3ccc(-c4cc(-c5ccnc(Cl)n5)cs4)cc3)CC2)CC1,DNQUVMFFSRVYOL-UHFFFAOYSA-N
-rxn:4:212743:228452,CC(C)(C)OC(=O)N1CCC(CN2CCN(c3ccc(-c4cc5c(Cl)ncnc5s4)cc3)CC2)CC1,FQUGDBCVNYTCIO-UHFFFAOYSA-N
-rxn:4:212781:225187,COC(=O)Cn1c(=NC(=O)c2cccc(-c3cc(Cl)ccc3CN3CCOCC3)c2)sc2cc(S(N)(=O)=O)ccc21,CDULTKDZNDQJBJ-UHFFFAOYSA-N
-rxn:4:212814:224909,Cc1cccc(Oc2ccc(-c3c4c(nn3C(=O)OC(C)(C)C)C(C)(C)N(C(=O)OC(C)(C)C)C4)cc2)c1,KXWODYQFUYCATA-UHFFFAOYSA-N
-rxn:4:212839:225833,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4ccnc(N5CCCCC5)c4F)ccn23)CC1,YOLMJJCYVBFWBN-UHFFFAOYSA-N
-rxn:4:212967:225902,CON(C)C(=O)c1ccc(-c2cnc(OCC3CCN(C(=O)C4CC4)CC3)nc2)cc1F,CCFRNZJVENHFRA-UHFFFAOYSA-N
-rxn:4:212969:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cnc(OC2CCN(C(=O)CC3CC3)CC2)nc1,HHQFAJYUONPZNQ-UHFFFAOYSA-N
-rxn:4:212978:224408,COc1ccc(F)cc1S(=O)(=O)N1CC(Cn2cc(-c3cc(C(F)(F)F)nn3C(=O)OC(C)(C)C)cn2)C1,SZSLTWYDDDUFJP-UHFFFAOYSA-N
-rxn:4:212980:224196,CCN1CCN(Cc2cc(F)cc(-c3cncc(C(=O)N4CCC(COc5ccc(F)cn5)C4)c3)c2)CC1,GZAFTFXHKISDMJ-UHFFFAOYSA-N
-rxn:4:212989:226644,CC(C)(C)OC(=O)N1CCN(C(=O)c2cnc(-c3cncc(N4CCOCC4)c3)s2)CC1,VBLFARUARJJZJQ-UHFFFAOYSA-N
-rxn:4:212994:223993,Cc1cnn(CC2CN(C(=O)Cc3ccc(F)cc3-c3ccc(S(=O)(=O)N4CCN(C)CC4)c(C)c3)C2)c1,DZEJAQGADIJCQJ-UHFFFAOYSA-N
-rxn:4:213017:222702,COc1ccc(-c2cc(C3CCCNC3)ccc2C(F)(F)F)c(C(=O)N2CC(Cn3cc(C)cn3)C2)c1,MNBCWVSWLGMKJK-UHFFFAOYSA-N
-rxn:4:213080:226727,CC(C)(C)OC(=O)N1CCN(C(=O)c2cncc(-c3cccc(SCC(F)(F)F)c3)c2)CC1,BONLDRIHTPMRLJ-UHFFFAOYSA-N
-rxn:4:213097:223062,CC(C)(C)OC(=O)N1CCC(C#N)(c2ccc(-c3cnc(C4CCNCC4)cc3F)cn2)CC1,ANYQSLQXYBFWNH-UHFFFAOYSA-N
-rxn:4:213097:226645,CC(C)(C)OC(=O)N1CCC(C#N)(c2ccc(-c3ccnc(N4CCOCC4)c3)cn2)CC1,KHZJZDJUKZTGQO-UHFFFAOYSA-N
-rxn:4:213097:226649,CC(C)(C)OC(=O)N1CCC(C#N)(c2ccc(-c3cccnc3N3CCOCC3)cn2)CC1,RZDLBHTYCQKELP-UHFFFAOYSA-N
-rxn:4:213100:228746,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cccc(C#N)c3Cl)c(C(F)(F)F)n2)CC1,GPIHQASOQCDKIV-UHFFFAOYSA-N
-rxn:4:213108:224188,CC(C)N(C(=O)c1ccc(-c2ccccc2CCC(=O)N2CCN(c3ccccn3)C(=O)C2)c(Cl)c1)C(C)C,FRDXIJJAVTYLRJ-UHFFFAOYSA-N
-rxn:4:213123:223043,O=C(NC1CC1)c1ccc(-c2ccccc2CC(=O)N2CCN(c3ccnc(C(F)(F)F)c3)C(=O)C2)cc1Cl,GACGZSLVBGXZPT-UHFFFAOYSA-N
-rxn:4:213123:224595,COc1cc(N2CCCC(C)C2)ccc1-c1ccccc1CC(=O)N1CCN(c2ccnc(C(F)(F)F)c2)C(=O)C1,DXKUROXNXMVQEG-UHFFFAOYSA-N
-rxn:4:213125:226663,CC(C)(C)OC(=O)N1CCN(Cc2cccc(-c3ccc(N4CCSCC4)nc3)n2)CC1,XZHJDNBCQPONAS-UHFFFAOYSA-N
-rxn:4:213126:226663,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc(N4CCSCC4)nc3)nc2)CC1,ATHICQLPISZODO-UHFFFAOYSA-N
-rxn:4:213127:226663,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3ccc(N4CCSCC4)nc3)ccn2)CC1,PACDROSHRHSNOX-UHFFFAOYSA-N
-rxn:4:213130:223970,Cc1ccc(-c2cncc(CN3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1S(=O)(=O)N1CCC(C)CC1,ZZWLESSAXDEYQS-UHFFFAOYSA-N
-rxn:4:213130:226659,CC(C)(C)OC(=O)N1CCN(Cc2cncc(-c3cnc(N4CCCC4)c(Cl)c3)c2)CC1,WRJURPRHLKLTES-UHFFFAOYSA-N
-rxn:4:213134:224291,CCC(C)(C)C(=O)N1CCC(Oc2ncc(-c3ccc(OCCN4CCOCC4)c(F)c3)cn2)CC1,APGWBDPPAPHJPE-UHFFFAOYSA-N
-rxn:4:213138:226663,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3ccc(N4CCSCC4)nc3)cnc2F)CC1,HVUJWYAOLMDTTD-UHFFFAOYSA-N
-rxn:4:213191:223080,CC(C)NS(=O)(=O)c1ccc(-c2ccc(C(=O)N3CCCN(C(=O)OC(C)(C)C)CC3)cn2)cc1,DAUNWSGIJRKZLY-UHFFFAOYSA-N
-rxn:4:213192:227445,CC(=O)N1CCN(c2cc(C(=O)OC(C)(C)C)cc(-c3cnc(Cl)c(C4CCC4)c3)n2)CC1,GCJSAJYNQNWKIV-UHFFFAOYSA-N
-rxn:4:213253:225163,CS(=O)(=O)N1CCC(C(=O)N2CCC(Oc3ccncc3-c3ccccc3C(=O)N3CCOCC3)C2)CC1,CEWMDFRZGPIBEG-UHFFFAOYSA-N
-rxn:4:213253:228103,CC(C)Cc1ncc(-c2cnccc2OC2CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)C2)cn1,KRKCIXIJPSSJPX-UHFFFAOYSA-N
-rxn:4:213259:225913,CCOc1ccc(-c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)C(C)(C)C3)cn2)cc1C(F)(F)F,YROZSLQYOIZTGM-UHFFFAOYSA-N
-rxn:4:213262:225641,CC1CCCN(c2cc(-c3ccc(C(=S)N4CCN(C(=S)c5ccc(N(C)C)cc5)CC4)cc3)ccn2)C1,UAKVIHJAYVDILN-UHFFFAOYSA-N
-rxn:4:213271:225533,CCN(CC)Cc1cc(F)cc(-c2ccc(OC)cc2C(=O)N2CCC(N3CC(=O)N(C4CC4)C3=O)CC2)c1,YGWCNCUZZOEMKC-UHFFFAOYSA-N
-rxn:4:213273:223069,CCCS(=O)(=O)Nc1cccc(-c2cnccc2OC2CCN(C(=O)c3ccc(N4CCOCC4)cc3)C2)c1,ZPHCDPHXDNTMKO-UHFFFAOYSA-N
-rxn:4:213273:223697,O=C(c1ccc(N2CCOCC2)cc1)N1CCC(Oc2ccncc2-c2ccc(S(=O)(=O)N3CCCCC3)cc2C(F)(F)F)C1,WJIURLDVZQLPNG-UHFFFAOYSA-N
-rxn:4:213281:226298,CS(=O)(=O)N1CCC(C(=O)N2CCC(Oc3ncccc3-c3ccc(F)cc3OCC3CC3)CC2)CC1,HJBQZGJWHRJHSB-UHFFFAOYSA-N
-rxn:4:213320:227187,COC(=O)c1nc(-c2cccc3c2CN(C)C3=O)n2c1CN(C(=O)OC(C)(C)C)CC2,BDWSRCVWMOHWJW-UHFFFAOYSA-N
-rxn:4:213336:224277,COC(=O)c1nc(-c2ccnc3c2ccn3C(=O)OC(C)(C)C)n2c1CCN(C(=O)OC(C)(C)C)CC2,IBBFDWABGXBJBP-UHFFFAOYSA-N
-rxn:4:213336:227288,COC(=O)c1nc(-c2ccccc2C(=O)N(C)C)n2c1CCN(C(=O)OC(C)(C)C)CC2,APXFAOTVVWWUJN-UHFFFAOYSA-N
-rxn:4:213387:223886,CC(C)(C)OC(=O)N1CCC(Cn2cnc3cc(-c4cccc5c4CCN(C(=O)OC(C)(C)C)C5)ccc32)CC1,UVOAWPSRSPRJNN-UHFFFAOYSA-N
-rxn:4:213407:224794,CCN(CC)S(=O)(=O)c1ccc(F)c(-c2ccc3nc(N4CCN(C(=O)c5ccc(S(=O)(=O)CC)cc5)CC4)sc3c2)c1,SRAMIQFVKOOGDV-UHFFFAOYSA-N
-rxn:4:213413:227485,CC1CN(C(=O)c2cc3cc(-c4ccccc4OCC(F)F)ccc3[nH]2)CCN1C(=O)OC(C)(C)C,RNGNGTBITOAACJ-UHFFFAOYSA-N
-rxn:4:213415:222599,O=C(Nc1cccc(Cl)c1)c1ccc(-c2ccc(-n3c(SCC(=O)N4CCCCCC4)nc4c(c3=O)SCC4)cc2)cc1F,PUDUIJQIDDVKLJ-UHFFFAOYSA-N
-rxn:4:213458:227762,COc1ccc(-c2cccc(Cl)c2C(F)(F)F)cc1[C@@H]1[C@@H](C(C)=O)N2c3ccccc3C=C[C@@H]2C1(C#N)C#N,KRCYDMXLXDACBP-BIYCFNCWSA-N
-rxn:4:213605:223499,CN(C)c1nc(OCc2ccccc2)ncc1-c1ccc(Cl)c(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1,NILPHVPYOKMTPO-UHFFFAOYSA-N
-rxn:4:213626:224082,CCC(C(=O)OC(C)(C)C)c1cccc(-c2cnn(C3CN(C(=O)OC(C)(C)C)C3)c2)c1,KBIZWLVLQFNLKW-UHFFFAOYSA-N
-rxn:4:213660:223651,CCOC(=O)N1CCN(c2ccc(-c3ccc(C4CCN(C(=O)OC(C)(C)C)C4)nc3C)cn2)CC1,XBHVIRGLQYPDKH-UHFFFAOYSA-N
-rxn:4:213660:223659,CCOC(=O)N1CCN(c2ccc(-c3cnn(CC4CCN(C(=O)OC(C)(C)C)CC4)c3)cn2)CC1,VHNDSBVLOPQBMJ-UHFFFAOYSA-N
-rxn:4:213665:223644,CCOC(=O)C1CCCN(C(=O)c2ccc(-c3cccnc3N3CCN(C(=O)OCC)CC3)cc2)C1,WLSRSLMIHGFUQN-UHFFFAOYSA-N
-rxn:4:213673:222514,COc1ccc(-c2cnn(CC3CN(Cc4ccc(F)c(F)c4)C3)c2)cc1S(=O)(=O)NC1CCCCC1,AVVGDFHUHOIQJA-UHFFFAOYSA-N
-rxn:4:213680:222615,CC(C)Cc1cc(-c2cc(N3CCN(CC(F)(F)F)CC3)c([N+](=O)[O-])cc2F)cc(C2CCNCC2)c1,YBRUGFYXUWYTKE-UHFFFAOYSA-N
-rxn:4:213714:225203,Cc1cc(C2CC2)c(C(F)(F)F)cc1-c1c[nH]c([C@@H]2CCCN2C(=O)OC(C)(C)C)n1,HMUYAZQAKDMLNC-IBGZPJMESA-N
-rxn:4:213720:222674,CC(C)(C)OC(=O)N1CCC(n2nccc2-c2cccc(C(=O)NC3CCCCC3)c2F)C1,PHVUNIACBTXNKP-UHFFFAOYSA-N
-rxn:4:213755:223051,CC(C)(C)OC(=O)N1CCN(c2nc(-c3cc(C(=O)NC4CC4)ccc3Cl)cs2)CC1,UNHDSAFRCBTPLB-UHFFFAOYSA-N
-rxn:4:213758:222522,COc1ccc(-c2cnc(CCC3CCCCN3S(C)(=O)=O)cn2)cc1S(=O)(=O)N1CCC(O)CC1,IDYNRFNSFFVGHC-UHFFFAOYSA-N
-rxn:4:213758:225126,CS(=O)(=O)N1CCCCC1CCc1cnc(-c2cc(F)ccc2OCC2CCCO2)cn1,HVLFCHRAANRWEJ-UHFFFAOYSA-N
-rxn:4:213805:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2cnc(C3CN(C(=O)OC(C)(C)C)CCO3)nc2)cc1,LOCCAWNACMLMBY-UHFFFAOYSA-N
-rxn:4:213844:224882,CC(C)(C)OC(=O)N1CCN(c2cccc(-c3ccc(CN4CCCCCC4)cc3)n2)C(=O)C1,ZVYPLXBOJVOTKW-UHFFFAOYSA-N
-rxn:4:213863:224379,CN1CCN(S(=O)(=O)c2ccccc2-c2ccc(S(=O)(=O)N3CCCC(Oc4ncccn4)C3)cc2)CC1,AVNHBNGETSJAOG-UHFFFAOYSA-N
-rxn:4:213872:224571,CC(C)N1CCN(c2ccc(-c3cnn(CC4CN(CC5CCCCC5)C4)c3)cc2)CC1,YDVVYTFKSHZNAI-UHFFFAOYSA-N
-rxn:4:213876:224718,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc(OCCN4CCOCC4)nc3)nc2)CC1,ITEKLXCDRUQUJZ-UHFFFAOYSA-N
-rxn:4:213879:225975,CC(C)(C)OC(=O)N1CCN(c2cccnc2-c2ccnc(N3CCOCC3)c2Cl)CC1,IBGNIIRXAYOZAY-UHFFFAOYSA-N
-rxn:4:213879:225976,CC(C)(C)OC(=O)N1CCN(c2cccnc2-c2ccnc(N3CCOCC3)c2F)CC1,BBXDGCHTBVMOAU-UHFFFAOYSA-N
-rxn:4:213879:225980,CC(C)(C)OC(=O)N1CCN(c2cccnc2-c2cc(N3CCOCC3)ncc2F)CC1,XCWWZFKBGCGVAC-UHFFFAOYSA-N
-rxn:4:213893:225979,CC(C)(C)OC(=O)N1CCN(c2cncc(-c3cnc(N4CCOCC4)c(Cl)c3)c2)CC1,RSWHUJMGJCHDHZ-UHFFFAOYSA-N
-rxn:4:213894:225975,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccnc(N4CCOCC4)c3Cl)cn2)CC1,XLFFFXPRBAPFQH-UHFFFAOYSA-N
-rxn:4:213897:225979,CC(C)(C)OC(=O)N1CCN(c2ccncc2-c2cnc(N3CCOCC3)c(Cl)c2)CC1,VYSWXTHJVHRPHM-UHFFFAOYSA-N
-rxn:4:213897:225982,CC(C)(C)OC(=O)N1CCN(c2ccncc2-c2cnc(N3CCOCC3)cc2F)CC1,QVCLZWXSLAUMTM-UHFFFAOYSA-N
-rxn:4:213901:225984,CC(C)(C)OC(=O)N1CCN(c2nc(Cl)ccc2-c2cnc(Cl)c(N3CCOCC3)c2)CC1,SOCMKDUAWZQJAN-UHFFFAOYSA-N
-rxn:4:213905:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(S(=O)(=O)N2CCC(Cn3ccnc3)CC2)cc1,DIEZMISOKICMQX-UHFFFAOYSA-N
-rxn:4:213942:223792,COC(=O)C1CCN(C(=O)c2ccc(-c3cn(C4CCN(C(=O)OC(C)(C)C)CC4)nc3C)cc2)CC1,GTDSLIJWLARASG-UHFFFAOYSA-N
-rxn:4:213947:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2ccn(C3CCN(C(=O)OC(C)(C)C)CC3C)n2)cc1,ZTRCGKJCTWPTOM-UHFFFAOYSA-N
-rxn:4:213966:223999,COc1cc(S(=O)(=O)N2CCN(c3ccccn3)CC2)ccc1-c1cc(S(=O)(=O)N2CCC(C)CC2)ccc1F,OATXRKUZXUJWIQ-UHFFFAOYSA-N
-rxn:4:213969:224266,O=C(c1ccc(-c2ccccc2-c2ccc(C(F)(F)F)cc2)o1)N1CCC(N2CC(=O)N(C3CC3)C2=O)CC1,OTRYFLMDPSDJPP-UHFFFAOYSA-N
-rxn:4:213971:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cc(C(F)(F)F)cnc3N3CCOC(C(=O)N4CCOCC4)C3)ccn2)CC1,ZRBCHEAAQOXLSS-UHFFFAOYSA-N
-rxn:4:213972:225751,COc1cc(C(=O)N(C)C)ccc1-c1cnc(N2CCOC(C(=O)N3CCOCC3)C2)c(C(F)(F)F)c1,UIUCEAGNYVMDOS-UHFFFAOYSA-N
-rxn:4:213973:228294,CCCOc1ncc(-c2cc(C(F)(F)F)cnc2N2CCOC(C(=O)N3CCSCC3)C2)cn1,KHVGPRCFTDOHSU-UHFFFAOYSA-N
-rxn:4:213983:225735,CCOc1cc(-c2cnc(C3CCN(C(=O)OC(C)(C)C)CC3C)cn2)cc(Cl)c1OCC,BHBYBUHDHJUUNM-UHFFFAOYSA-N
-rxn:4:213985:226003,COC(=O)c1ccc([N+](=O)[O-])cc1-c1cc(C)cnc1N1CCN(C(=O)OC(C)(C)C)CC1,LLAYLDJFMLXHTB-UHFFFAOYSA-N
-rxn:4:213987:224082,CCC(C(=O)OC(C)(C)C)c1cccc(-c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2C)c1,PYLPOBDEGGIXQP-UHFFFAOYSA-N
-rxn:4:213989:225232,CC1CCN(c2cc(-c3cnc(OCC4CCCN(C5CCOCC5)C4)nc3)cnc2Cl)CC1,SISXHBUNGVSUEF-UHFFFAOYSA-N
-rxn:4:213991:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cnc(OC2CCN(CC3CCCOC3)CC2)nc1,ASRJUFVNPSDRRD-UHFFFAOYSA-N
-rxn:4:214012:222987,Cc1nc(C2CCNCC2)ccc1-c1ccccc1S(=O)(=O)N1CCC(S(=O)(=O)c2nccn2C)CC1,KLNJIUMLFKDTDE-UHFFFAOYSA-N
-rxn:4:214012:224010,COc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1ccccc1S(=O)(=O)N1CCC(S(=O)(=O)c2nccn2C)CC1,VRBGGMSFPLGJJZ-UHFFFAOYSA-N
-rxn:4:214015:222887,N#CC1CCN(Cc2ccc(-c3cccc(C(=O)N4CCNCC4)c3)cc2N2CCOCC2)CC1,MLYBKUMGTVZLSK-UHFFFAOYSA-N
-rxn:4:214027:224760,O=C(C1CCCN(c2ncc(-c3ccc(S(=O)(=O)N4CCCCC4)cc3)cc2C(F)(F)F)C1)N1CCOCC1,KIANMOLFEBFUJC-UHFFFAOYSA-N
-rxn:4:214029:222764,O=C(Nc1cccc(-c2cnc(N3CCCC(C(=O)N4CCSCC4)C3)c(C(F)(F)F)c2)c1)c1cccnc1,AUPAXGHVIWWARZ-UHFFFAOYSA-N
-rxn:4:214029:226236,CCCCOc1ncc(C)cc1-c1cnc(N2CCCC(C(=O)N3CCSCC3)C2)c(C(F)(F)F)c1,GWVTZTNJRIWJGP-UHFFFAOYSA-N
-rxn:4:214029:227236,CCOC(=O)c1ccc(-c2cnc(N3CCCC(C(=O)N4CCSCC4)C3)c(C(F)(F)F)c2)cc1,QNTKVQJMIHCTSA-UHFFFAOYSA-N
-rxn:4:214033:223139,CC(C)[C@H]1COC(c2cc(-c3ccc(C4CCNCC4)nc3)cc(C3=N[C@@H](C(C)C)CO3)n2)=N1,UZTURGGOLGLMCY-JWQCQUIFSA-N
-rxn:4:214033:224054,CC(C)Oc1ccc(-c2ccc(-c3cc(C4=N[C@@H](C(C)C)CO4)nc(C4=N[C@@H](C(C)C)CO4)c3)cc2)cc1,HOLJFRDPHPPJGV-LOYHVIPDSA-N
-rxn:4:214033:227258,CCCOc1ccc(-c2cc(C3=N[C@@H](C(C)C)CO3)nc(C3=N[C@@H](C(C)C)CO3)c2)c(F)c1,HBLQEBGODYGGMP-DNQXCXABSA-N
-rxn:4:214191:224777,CC(=O)N1CCN(C(=O)Cn2ccc3ccc(-c4cnc(C5CCCC5)c(C(F)(F)F)c4)cc32)CC1,QXSYVRHLOIQAJH-UHFFFAOYSA-N
-rxn:4:214201:224365,CCCCOc1cc(-c2ccc(N3CC4CC(C3)N4C(=O)OC(C)(C)C)nc2)cc(C(F)(F)F)c1F,NFVMJCJCPNPGAJ-UHFFFAOYSA-N
-rxn:4:214212:223636,CC(C)(C)OC(=O)N1CCCC(c2ccc(-c3ccc(C(=O)N4CCN(C(=O)c5cc6ccccc6[nH]5)CC4)o3)cc2)C1,BERUOTNVZLXFRA-UHFFFAOYSA-N
-rxn:4:214220:222584,CC(C)(C)OC(=O)N1CCCC1c1nc2cc(-c3ccc(OCCCN4CCNCC4)c(F)c3)ccc2[nH]1,KZKNSHYAHUEXHQ-UHFFFAOYSA-N
-rxn:4:214254:224199,CC(=O)N1CCN(Cc2ccc(-c3cnc4c(cnn4[Si](C(C)C)(C(C)C)C(C)C)c3)cc2)CC1,QQQMRLPJFTYJEE-UHFFFAOYSA-N
-rxn:4:214255:223582,COC(=O)c1ccc2cc(-c3cn([Si](C(C)C)(C(C)C)C(C)C)c4ncnc(Cl)c34)n(C(=O)OC(C)(C)C)c2c1,IPRQFLYVSQPZBW-UHFFFAOYSA-N
-rxn:4:214339:223834,COc1ccc(CN2C(=O)CCC(n3c(=O)n(C)c4cc(-c5cc(C)c(S(=O)(=O)N6CCN(C)CC6)c(C)c5)ccc43)C2=O)cc1,LAIUQWHPROEZCZ-UHFFFAOYSA-N
-rxn:4:214342:223810,Cc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(-c4cc(C)c(S(=O)(=O)N5CCC(C)CC5)c(C)c4)cc3)CC2)c2ccccc2n1,MHEZDJONYAJUKH-UHFFFAOYSA-N
-rxn:4:214495:223579,CC1CN(C(=O)OC(C)(C)C)CCN1c1ccc(-c2cc(F)c(C#N)c(N=CN(C)C)c2)cc1,NNRVLVXDBDQPAB-UHFFFAOYSA-N
-rxn:4:214586:223945,CC(=O)N1CCC(Oc2cnc(-c3ccc(OCCCN4CCOCC4)c(F)c3)cn2)C1,LHJXEOPHVGIRHL-UHFFFAOYSA-N
-rxn:4:214617:222584,CC(C(=O)N1CCOCC1)n1cc(-c2ccc(OCCCN3CCNCC3)c(F)c2)cn1,JEAJRCWCNIRCJP-UHFFFAOYSA-N
-rxn:4:214617:222684,CC(C(=O)N1CCOCC1)n1cc(-c2ccc(OCCN3CCNCC3)c(Cl)c2)cn1,MYXUDGCIJJCJDO-UHFFFAOYSA-N
-rxn:4:214619:223712,COc1ccc(-c2cnc(N(C)CC3COCCO3)nc2)cc1C12CC3CC(CC(C3)C1)C2,IOWVAKDQXLCRDP-UHFFFAOYSA-N
-rxn:4:214631:224379,CN1CCN(S(=O)(=O)c2ccccc2-c2cnc(CC3CCN(S(C)(=O)=O)C3)cn2)CC1,DNMPNIRUSCGQGS-UHFFFAOYSA-N
-rxn:4:214660:225518,CCCCCOc1ncc(C)cc1-c1cnn(C)c1C(=O)N1CCC(C(F)(F)F)CC1,FKZQVUIHDVCSLS-UHFFFAOYSA-N
-rxn:4:214662:222462,Cn1ncc(C(=O)N2CCC(C(F)(F)F)CC2)c1-c1c(F)cc2nc(NC(=O)OC(C)(C)C)sc2c1F,PQSUPBCWRJUHEN-UHFFFAOYSA-N
-rxn:4:214709:224462,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc(C4CCN(C5CC5)CC4)cc3)cn2)CC1,LHNQBIJEOCSTSP-UHFFFAOYSA-N
-rxn:4:214710:222513,CCN1CCN(S(=O)(=O)c2cncc(-c3cc(S(=O)(=O)NC4CCCCC4)ccc3OC)c2)CC1,LECZNPGDNMFPNQ-UHFFFAOYSA-N
-rxn:4:214718:225178,CCN1CCN(S(=O)(=O)c2cnc(Cl)c(-c3ccc(CN4CCOCC4)cc3F)c2)CC1,AYRUIRIMJOVPHE-UHFFFAOYSA-N
-rxn:4:214734:222607,CS(=O)(=O)N1CCC(Nc2ccc(-c3cnc(N4CCN(S(=O)(=O)C5CC5)CC4)c(Cl)c3)cc2)CC1,XCYCRXAWDLBAAI-UHFFFAOYSA-N
-rxn:4:214735:222607,CS(=O)(=O)N1CCC(Nc2ccc(-c3cnc(N4CCN(S(=O)(=O)C5CC5)CC4)c(F)c3)cc2)CC1,PCIJZXGETXHNCW-UHFFFAOYSA-N
-rxn:4:214740:224782,CC(=O)N1CCCC(Cc2cnc(-c3cc(F)c(F)c(N4CCN(C)CC4)c3)cn2)CC1,XIFKEEVQSQFFQA-UHFFFAOYSA-N
-rxn:4:214746:223504,CN(C)C1CCN(c2ccc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)c([N+](=O)[O-])c3)cc2C#N)CC1,YAECHDVQLRKZTF-UHFFFAOYSA-N
-rxn:4:214752:223970,Cc1ccc(-c2nc(C(=O)N3CCN(C(C)C)CC3)ccc2F)cc1S(=O)(=O)N1CCC(C)CC1,WYTFXRPQYIHJLQ-UHFFFAOYSA-N
-rxn:4:214772:222442,CS(=O)(=O)N1CCCC(Cc2cnc(-c3ccc(S(=O)(=O)NC4CCCC4)c4ccccc34)cn2)CC1,UOXYINVNDUIDCP-UHFFFAOYSA-N
-rxn:4:214787:224194,CCN1CCN(Cc2ccc(-c3ccc(S(=O)(=O)N4CCN(c5ccccn5)C(=O)C4)cc3)cc2Cl)CC1,KXDJMNVZUJDIJF-UHFFFAOYSA-N
-rxn:4:214807:223502,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3cccnc3N3CCN(Cc4ccccc4)CC3)cc2F)CC1,NHEQPCALRRWAHU-UHFFFAOYSA-N
-rxn:4:214819:223026,CCCNC(=O)c1ccc(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCCC3)C2)cc1F,RPVNVHGJMPUSIR-UHFFFAOYSA-N
-rxn:4:214819:226479,CCCCOc1nccc(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCCC3)C2)c1Cl,HVHXKRYWIVUZQZ-UHFFFAOYSA-N
-rxn:4:214820:226236,CCCCOc1ncc(C)cc1-c1cnc(N2CCOC(C(=O)N3CCCC3)C2)c(F)c1,PYFAJQUDQFGFSQ-UHFFFAOYSA-N
-rxn:4:214829:226476,CCCCOc1ncc(-c2cccnc2N2CCOC(C(=O)N3CCSCC3)C2)cc1Cl,DUOXAUHSHYTFNW-UHFFFAOYSA-N
-rxn:4:214836:225709,CN(C)CCCOc1ccc(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCSCC3)C2)cn1,FFZIUZXSROTHQU-UHFFFAOYSA-N
-rxn:4:214837:223053,CC(C)NC(=O)c1ccc(-c2cnc(N3CCOC(C(=O)N4CCSCC4)C3)c(Cl)c2)c(F)c1,LRPYPFPNMIKBEK-UHFFFAOYSA-N
-rxn:4:214837:227213,CCCCSc1cncc(-c2cnc(N3CCOC(C(=O)N4CCSCC4)C3)c(Cl)c2)c1,IUFLMBPBUUVEJJ-UHFFFAOYSA-N
-rxn:4:214838:227212,CCCCOc1ncccc1-c1cnc(N2CCOC(C(=O)N3CCOCC3)C2)c(F)c1,NUKBJDQUZKPMFS-UHFFFAOYSA-N
-rxn:4:214839:222546,O=C(C1CN(c2ncc(-c3ccc(OCCNC4CCCCC4)c(F)c3)cc2F)CCO1)N1CCSCC1,SWFZWNNMMBCVFL-UHFFFAOYSA-N
-rxn:4:214839:223053,CC(C)NC(=O)c1ccc(-c2cnc(N3CCOC(C(=O)N4CCSCC4)C3)c(F)c2)c(F)c1,OMWBXKKVJCOLTN-UHFFFAOYSA-N
-rxn:4:214839:226992,CCOC(C)c1ccc(-c2cnc(N3CCOC(C(=O)N4CCSCC4)C3)c(F)c2)cc1,SMKZDCRIZFNXMD-UHFFFAOYSA-N
-rxn:4:214851:222584,O=C(c1cncc(-c2ccc(OCCCN3CCNCC3)c(F)c2)c1)N1CCCN(C2CCC2)CC1,FAAHNKWMKQUNNP-UHFFFAOYSA-N
-rxn:4:214851:222707,CC(C)(C)OC(=O)NCc1nccc(-c2cncc(C(=O)N3CCCN(C4CCC4)CC3)c2)c1F,QHMVVVVLMTWLJM-UHFFFAOYSA-N
-rxn:4:214871:227212,CCCCOc1ncccc1-c1cnc(N2CCCC(C(=O)N3CCOCC3)C2)c(Cl)c1,ZPQNGNLOSIRYIH-UHFFFAOYSA-N
-rxn:4:214872:223735,CC(C)(C)c1ccc(COc2ccccc2-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCCCC3)C2)cc1,ZRLAMDUPYRXDFG-UHFFFAOYSA-N
-rxn:4:214874:222584,O=C(C1CN(c2ncc(-c3ccc(OCCCN4CCNCC4)c(F)c3)cc2F)CCO1)N1CCCCC1,VEWCMZAQQVRYDN-UHFFFAOYSA-N
-rxn:4:214874:227212,CCCCOc1ncccc1-c1cnc(N2CCOC(C(=O)N3CCCCC3)C2)c(F)c1,DRNMGABLGAYSEI-UHFFFAOYSA-N
-rxn:4:214880:226981,CCCCCCc1ccsc1-c1cnc(N2CCOC(C(=O)N3CCOCC3)C2)c(C)c1,RDOWGPKFWJJFSG-UHFFFAOYSA-N
-rxn:4:214964:222439,COC(=O)c1n[nH]c2ccc(-c3ccc(S(=O)(=O)NC4CCCCC4)cc3C(F)(F)F)c([N+](=O)[O-])c12,SMZJPBYPSIGDCM-UHFFFAOYSA-N
-rxn:4:214978:223492,COC(=O)Cc1nc2cc(-c3ccc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c(C)c3)c(C)nc2[nH]1,PRUCIAYILUJJFS-UHFFFAOYSA-N
-rxn:4:215060:223583,COC(=O)c1ccc2c(-c3ncn4c3CN(C(=O)OC(C)(C)C)CC4)cn(C(=O)OC(C)(C)C)c2c1,HIQUYMCPFXYZHH-UHFFFAOYSA-N
-rxn:4:215066:224613,CN(C(=O)OC(C)(C)C)c1cccc(-c2cnn3c2N(C(=O)OC(C)(C)C)CCC3)c1,MEPJXVLUNVZJIR-UHFFFAOYSA-N
-rxn:4:215102:224323,Cc1cc(-c2cn3c(n2)CCN(C(=O)OC(C)(C)C)CC3)cc(C)c1S(=O)(=O)N1CCCC1,GCBJOYJXTZBVCC-UHFFFAOYSA-N
-rxn:4:215114:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(C(=O)N4CC(c5nc6cc(C)ccc6[nH]5)C4)o3)c(F)cc2C)CC1,JYGFFZFGEMQSGK-UHFFFAOYSA-N
-rxn:4:215148:222945,CC(C)NS(=O)(=O)c1ccc(-c2ncc3n2CC(C)(C)N(C(=O)OC(C)(C)C)C3)cc1F,MFFKZLMZYSDNSX-UHFFFAOYSA-N
-rxn:4:215148:224484,CC(C)N(C(=O)c1ccccc1-c1ncc2n1CC(C)(C)N(C(=O)OC(C)(C)C)C2)C(C)C,WPXXCGGFEAIERY-UHFFFAOYSA-N
-rxn:4:215164:223873,CC1CCN(C(=O)CCc2ccccc2-c2ccc3c(c2)sc(=NC(=O)CN2C(=O)c4ccccc4C2=O)n3C)CC1,DSXWYBXAGWIYMR-UHFFFAOYSA-N
-rxn:4:215182:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc2[nH]c(C(=O)N3CCN(C(C)C)CC3)cc2c1,MKYXTHJDGQBFMM-UHFFFAOYSA-N
-rxn:4:215300:225653,CC1CCCCN1c1ccc(-c2ccc3c(c2)C2CC(c4ccco4)=NN2C2(CCN(Cc4ccccc4)CC2)O3)cn1,NFOAQZSXXJSNBZ-UHFFFAOYSA-N
-rxn:4:215334:223480,Cc1cc(-c2c(CC#N)cnn2C)cc(C)c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,YZOBRTVVNBSYMV-UHFFFAOYSA-N
-rxn:4:215741:223976,Cn1ncc(C(=O)N2CCC(F)(F)C2)c1-c1cc(OC2CCCC2)cc(OC(F)(F)F)c1,WRMUZVDLCQSWBY-UHFFFAOYSA-N
-rxn:4:215825:223650,CN1CCC(Oc2ncc(-c3ccccc3N3CCN(C(=O)OC(C)(C)C)CC3)cn2)CC1,SNUOLQISPUXMTO-UHFFFAOYSA-N
-rxn:4:215831:223947,CCN(C(=O)OC(C)(C)C)c1ccc(-c2cnn(C)c2C(=O)N2CCCC(F)(F)C2)c(F)c1,IQJNDDFXMYPBCL-UHFFFAOYSA-N
-rxn:4:215886:224360,COC(=O)c1ccc(-c2cnc(N3CCC(C)CC3)c([N+](=O)[O-])c2)n1C(=O)OC(C)(C)C,XJRBJCVUVHGHAG-UHFFFAOYSA-N
-rxn:4:215891:224376,CN1CCN(c2ccc([N+](=O)[O-])c(-c3cccc(S(=O)(=O)N4CCN(C)CC4)c3)c2)CC1,LDUCLUSHKFGPPX-UHFFFAOYSA-N
-rxn:4:215898:224379,CN1CCN(S(=O)(=O)c2ccccc2-c2cnc(C3CCN(S(C)(=O)=O)CC3)cn2)CC1,FFNKJUGIRVSQSV-UHFFFAOYSA-N
-rxn:4:215906:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1cncc(S(=O)(=O)N2CCN(C)CC2)c1,QEKRDZFQZNYKNQ-UHFFFAOYSA-N
-rxn:4:215955:223784,CCN1CCN(CCOc2ccc(-c3cnccc3N3CCC(N(C)C)CC3)cc2F)CC1,ACQOYBOIZFOMKT-UHFFFAOYSA-N
-rxn:4:217083:223593,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(N4CCSCC4)nc3)cc2Cl)CC1,AJLNDONVFHDITQ-UHFFFAOYSA-N
-rxn:4:217906:222448,CN1CCC2(CC1)Oc1ccc(-c3cc(C(=O)NCc4ccccc4)cc([N+](=O)[O-])c3)cc1C1CC(c3ccccc3)=NN12,XADWPMPSJVRYDG-UHFFFAOYSA-N
-rxn:4:218588:222844,N#Cc1ccccc1S(=O)(=O)N1CCC(COc2ncc(-c3cccc(NC(=O)C4CCCC4)c3)cn2)CC1,COHDSMHZSUARNH-UHFFFAOYSA-N
-rxn:4:218618:225177,COc1ccc(CCC(=O)N2CCC(n3ccnn3)CC2)cc1-c1ccc(CN2CCSCC2)c(F)c1,JRUVVSCDYSVZMJ-UHFFFAOYSA-N
-rxn:4:218631:224244,CC1CCN(C(=O)c2cc(-c3cnc(OCC4CCN(C5CCN(CC(F)(F)F)C5=O)CC4)nc3)ccc2Cl)CC1,QMPYZAMBCAFBKS-UHFFFAOYSA-N
-rxn:4:218656:225975,COc1cc(=O)n(C)cc1C(=O)N1CCCC(COc2ncc(-c3ccnc(N4CCOCC4)c3Cl)cn2)C1,LJGOELYXKWGVDK-UHFFFAOYSA-N
-rxn:4:218675:226277,CC(C)(C)COc1ccc(-c2cncc(C(=O)N3CCC(COc4cc(C5CCC5)ncn4)CC3)c2)cn1,JDTOHUQVEIJQCU-UHFFFAOYSA-N
-rxn:4:218676:224589,Cc1nn(CCC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c(C)c1-c1ccc(F)cc1CN1CCC(C)CC1,PDOAJNAGJNVWMG-UHFFFAOYSA-N
-rxn:4:218695:222946,Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCn3nc(C)c(-c4cnc(N5CCCCC5O)nc4Cl)c3C)CC2)cc1,MICHPRTVQUZIHK-UHFFFAOYSA-N
-rxn:4:218699:226006,CC(C)(C)OC(=O)N1CCCN(c2nc(-c3cccc(-c4cc(F)cc(OCC(F)(F)F)c4)c3)ccc2C#N)CC1,HIUOVWZFBQJRDQ-UHFFFAOYSA-N
-rxn:4:218704:223063,Cc1cc(Cl)ccc1OCC(=O)N1CCCN(c2cc(-c3ccc(-c4cc(F)nc(C5CCNCC5)c4)cc3)n[nH]2)CC1,OQGSDFLQDNKFLR-UHFFFAOYSA-N
-rxn:4:218705:225977,CC(Oc1ccc(Cl)cc1)C(=O)N1CCCN(c2cc(-c3ccc(-c4cc(Cl)cnc4N4CCOCC4)cc3)n[nH]2)CC1,VALBDQLHARGHAB-UHFFFAOYSA-N
-rxn:4:218706:223654,Cc1ccc(S(=O)(=O)n2c(-c3c(C)nn(CCC(=O)N4CCN(S(=O)(=O)c5ccc(C)c(C)c5)CC4)c3C)cc3cccnc32)cc1,GLBCCGITHVFZEY-UHFFFAOYSA-N
-rxn:4:218710:225146,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cn(-c5ccc(OC)cc5)nc4C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,CQHFAKQOKGHBLO-UHFFFAOYSA-N
-rxn:4:218712:226560,CCOc1cc(F)c(-c2c(C)nn(C(C)CC(=O)N3CCN(S(=O)(=O)c4ccc(C)cc4C)CC3)c2C)cc1OC,USTQFNQUILMYGJ-UHFFFAOYSA-N
-rxn:4:218776:224126,CCOC(=O)C1CCN(c2ncnc3c2c(-c2ccccc2)cn3-c2ccc(-c3cccc(C(C)N4CCN(CC)CC4)c3)cc2)CC1,FTWQDXWDHZIHKK-UHFFFAOYSA-N
-rxn:4:218846:228082,CC(C)CCn1nccc1-c1cnc(OC2CCN(C(=O)CN3C(=O)CCC3=O)C2)nc1,JMWNRAJUNIWLAH-UHFFFAOYSA-N
-rxn:4:218867:225852,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3cnc(C4CCCCC4)nc3Cl)c2)no1,GDHRBGPGKDANJT-UHFFFAOYSA-N
-rxn:4:218868:225979,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3cnc(N4CCOCC4)c(Cl)c3)cc2)no1,MORUZGGGMVUCDV-UHFFFAOYSA-N
-rxn:4:218868:226223,CCOCCOc1ccccc1-c1ccc(-c2noc(COC(=O)C3=CN(C)S(=O)(=O)N=C3C)n2)cc1,BKGVUUDNTOAQIE-UHFFFAOYSA-N
-rxn:4:218889:224672,CCN1CCN(c2ccc(-c3cnc(OCC4CCCN(C(=O)c5cc(C)on5)C4)nc3)c(Cl)c2)CC1,ISMFERIFCZGHAH-UHFFFAOYSA-N
-rxn:4:218907:223999,CC1CCN(S(=O)(=O)c2ccc(F)c(-c3cnc(OCC4CCN(Cc5ccccn5)CC4)nc3)c2)CC1,YRPWXHKVNAGFCK-UHFFFAOYSA-N
-rxn:4:218948:227962,Cc1cc(-c2cnc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)nc2)cc(C2CC2)n1,IUWGSDNYSZHPON-UHFFFAOYSA-N
-rxn:4:218964:228226,CC(=O)N1CCC(C(=O)N2CC(Cn3cc(-c4cc(C#N)cc(Cl)c4C)cn3)C2)CC1,BRQFMYNJEWFMTG-UHFFFAOYSA-N
-rxn:4:218967:225080,COC(=O)C1CCc2cc(-c3cccnc3OC3CCN(C(=O)c4cn(C)nc4OC)CC3)ccc2O1,TVJIMCCLFZNXMR-UHFFFAOYSA-N
-rxn:4:218972:224087,Cc1nc(C)c(C(=O)N2CCCC(COc3ncc(-c4cccc(OCCN5CCCCCC5)c4)cn3)C2)s1,PKSZNUIVGJXGAB-UHFFFAOYSA-N
-rxn:4:218992:228097,CN(C)Cc1cncc(-c2cnn(CC3CN(C(=O)C4CCN(S(C)(=O)=O)CC4)C3)c2)c1,WQMPRVCTWJJFLC-UHFFFAOYSA-N
-rxn:4:219000:225187,O=c1cccnn1CCN1CCN(S(=O)(=O)c2ccc(-c3cc(Cl)ccc3CN3CCOCC3)cc2)CC1,ZSNURABUJRTIHE-UHFFFAOYSA-N
-rxn:4:219002:225898,Cn1cccc(C(=O)N2CCCC(COc3ncc(-c4cnn(CCN5CCOCC5)c4)cn3)C2)c1=O,LBOWANOIQHPISA-UHFFFAOYSA-N
-rxn:4:219014:224952,CN(c1ncc(Cl)cn1)C1CCN(C(=O)Cc2ccccc2-c2cccc(CCN3CCOCC3)c2)CC1,MSUCKHXLNZLRDN-UHFFFAOYSA-N
-rxn:4:219053:224291,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cncc(-c4ccc(OCCN5CCOCC5)c(F)c4)c3)cn2)CC1,FXXQBSHUOWXNLT-UHFFFAOYSA-N
-rxn:4:219062:223813,Cc1nn(C(C)C)c(C)c1S(=O)(=O)N1CCC(Oc2ncccc2-c2ccc(CN3CCC4(CC3)OCCO4)c(F)c2)C1,XJAYIHUDOCFCKO-UHFFFAOYSA-N
-rxn:4:219066:227762,O=C(C1CC(=O)N(c2ccccc2)C1)N1CCC(Oc2ncc(-c3cccc(Cl)c3C(F)(F)F)cn2)CC1,BKXRQAIZHOYNDG-UHFFFAOYSA-N
-rxn:4:219070:224065,CC1CCN(c2cc(-c3ccc(-c4cc(N5CCCN(C(=O)Cc6ccccc6)CC5)[nH]n4)cc3)cc(C3CC3)c2)CC1,CLWOSGPBIPUKCR-UHFFFAOYSA-N
-rxn:4:219092:224400,CCCCCCn1c(-c2ccc(N3CCOCC3)c(C(F)(F)F)c2)nc2c1c(=O)n(C)c(=O)n2C,OFVQHLOFRXWZIG-UHFFFAOYSA-N
-rxn:4:219136:225753,COC(=O)c1cnc(C2CC2)c(-c2ccc(OC)cc2CN2N=NC3C(=O)N(c4ccc(OC)cc4)C(=O)C32)c1,DDORVKWDPZJQQZ-UHFFFAOYSA-N
-rxn:4:219142:222502,CC(C)(C)OC(=O)N1CCC(c2n[nH]c3c(C#N)cc(-c4ccc(CNC(=O)c5cc(F)ccc5F)cc4)cc23)CC1,ZISRJXYQJSZKOI-UHFFFAOYSA-N
-rxn:4:219142:224011,CN1CCN(S(=O)(=O)c2ccc(-c3cc(C#N)c4[nH]nc(C5CCN(C(=O)OC(C)(C)C)CC5)c4c3)cc2F)CC1,OIHPSVJSLTUUJX-UHFFFAOYSA-N
-rxn:4:219271:226256,CCCCOc1cc(F)ccc1-c1cnc(N2CCN(CC(F)(F)F)CC2)c([N+](=O)[O-])c1,ZOEFOMULDWGYFE-UHFFFAOYSA-N
-rxn:4:219281:222785,Cn1ncc(C(=O)N2CCN(CC(F)(F)F)CC2)c1-c1ccc(F)c(NC(=O)OC(C)(C)C)c1,URCMRKJHYWWIGV-UHFFFAOYSA-N
-rxn:4:219360:222684,Cc1nnsc1C(=O)N1CCC(Oc2ncccc2-c2ccc(OCCN3CCNCC3)c(Cl)c2)CC1,JOHRTARLBQCVKS-UHFFFAOYSA-N
-rxn:4:219360:224291,Cc1nnsc1C(=O)N1CCC(Oc2ncccc2-c2ccc(OCCN3CCOCC3)c(F)c2)CC1,SPFMQFDXZIYFGD-UHFFFAOYSA-N
-rxn:4:219371:222886,CC(C)(C)OC(=O)N1CCC(n2cnnc2-c2ccc(N3CCNCC3)cc2C#N)CC1,PWMRKBFSHOAFIB-UHFFFAOYSA-N
-rxn:4:219383:223636,CC(C)(C)OC(=O)N1CCCC(c2ccc(-c3cnc(OCC4CCCN(c5ccncc5Cl)C4)nc3)cc2)C1,BSISLVBAORZQHN-UHFFFAOYSA-N
-rxn:4:219383:223637,CC(C)(C)OC(=O)N1CCCC(c2ccccc2-c2cnc(OCC3CCCN(c4ccncc4Cl)C3)nc2)C1,MOLYWFDVJPNVKZ-UHFFFAOYSA-N
-rxn:4:219383:223638,CC(C)(C)OC(=O)N1CCCC(c2cccc(-c3cnc(OCC4CCCN(c5ccncc5Cl)C4)nc3)c2)C1,GYMVXMCDHVPERP-UHFFFAOYSA-N
-rxn:4:219384:223636,CC(C)(C)OC(=O)N1CCCC(c2ccc(-c3cnc(N4CCC(COc5ccncc5Cl)CC4)nc3)cc2)C1,YIMABNFRLGARQA-UHFFFAOYSA-N
-rxn:4:219384:223637,CC(C)(C)OC(=O)N1CCCC(c2ccccc2-c2cnc(N3CCC(COc4ccncc4Cl)CC3)nc2)C1,SJKVMGWLXCHZSA-UHFFFAOYSA-N
-rxn:4:219404:224276,CC(C)(C)OC(=O)N1CCN(c2cncc(-c3cn(C(=O)OC(C)(C)C)c4cccnc34)n2)CC1,ZQNQRDDCHWPUNZ-UHFFFAOYSA-N
-rxn:4:219418:224781,COc1cc(N2CCN(C(=O)c3cncc(-c4ccc(C5CCCO5)c(C(F)(F)F)c4)c3)CC2=O)ccn1,ZFMBFFPIXQXUDT-UHFFFAOYSA-N
-rxn:4:219436:225363,N#Cc1cc(-c2ccc(C(=O)N3CC(F)(F)C3)nc2)cnc1N1CCOC(C(=O)N2CCOCC2)C1,KAJVNPZYZPFSHW-UHFFFAOYSA-N
-rxn:4:219452:222936,CCC(=O)NS(=O)(=O)c1ccc(-c2nc(C)nn2C2CCN(C(=O)OC(C)(C)C)CC2)cc1,OMPQDFPWUXZQKP-UHFFFAOYSA-N
-rxn:4:219452:225218,Cc1nc(-c2cnc(N3CCCC(C)C3)c(Cl)c2)n(C2CCN(C(=O)OC(C)(C)C)CC2)n1,PODWZSAQFWYZIC-UHFFFAOYSA-N
-rxn:4:219455:226565,CCOc1cc(-c2n[nH]c(C3CCN(C(=O)OC(C)(C)C)CC3C)n2)c(F)cc1OC,BTGGXRVKWXHYHZ-UHFFFAOYSA-N
-rxn:4:219469:226222,CCCCCOc1ccc(-c2cnc(SC)nc2N2CCCN(S(=O)(=O)C3CC3)CC2)cn1,KQJKSTWJHROKFT-UHFFFAOYSA-N
-rxn:4:219471:223028,CCCNC(=O)c1ccc(F)c(-c2cnc(SC)nc2N2CCOC(C(=O)N3CCCC3)C2)c1,BEGFYLABLABIGG-UHFFFAOYSA-N
-rxn:4:219488:225162,C[C@H]1CN(C(=O)OC(C)(C)C)CCN1c1ncc(-c2ccc(C(=O)N3CCCC3)c(Cl)c2)cn1,WTEANDUTOOTHDX-KRWDZBQOSA-N
-rxn:4:219497:222634,N#Cc1cc(-c2ccc(OCCNC3CCCC3)c(F)c2)cnc1N1CCOC(C(=O)N2CCCCC2)C1,CQIPUAQEMYJQJE-UHFFFAOYSA-N
-rxn:4:219498:222900,COc1nc(N2CCOC(C(=O)N3CCOCC3)C2)ncc1-c1csc(CNC(=O)OC(C)(C)C)c1,VLUZHLPGJCFOPI-UHFFFAOYSA-N
-rxn:4:219498:223025,CCCNC(=O)c1cc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)nc2OC)ccc1Cl,FAEUQNUOJMQTIM-UHFFFAOYSA-N
-rxn:4:219499:227500,CCN(C)c1ncc(-c2cnc(N3CCCC(C(=O)N4CCOCC4)C3)c(C#N)c2)cc1Cl,DWBCOSFGLSMRKY-UHFFFAOYSA-N
-rxn:4:219501:225093,CCCOc1c(Cl)cc(-c2cnc(SC)nc2N2CCOC(C(=O)N3CCOCC3)C2)cc1OCC,JLDIDJVGJGMSLT-UHFFFAOYSA-N
-rxn:4:219501:225980,CSc1ncc(-c2cc(N3CCOCC3)ncc2F)c(N2CCOC(C(=O)N3CCOCC3)C2)n1,VZYTYMDXJROQPA-UHFFFAOYSA-N
-rxn:4:219506:224986,N#Cc1cc(N2CCCCC2)ccc1-c1ccc(S(=O)(=O)N2CCCN(S(=O)(=O)c3c[nH]cn3)CC2)cc1,YLABSJZFDCWTGA-UHFFFAOYSA-N
-rxn:4:219506:225371,COC(=O)c1cc(-c2ccc(S(=O)(=O)N3CCCN(S(=O)(=O)c4c[nH]cn4)CC3)cc2)cnc1C(F)(F)F,LTVZNJGITIYERX-UHFFFAOYSA-N
-rxn:4:219515:226559,CC(C)(C)OC(=O)c1csc(-c2nnc(N3CC4(CCN(C(=O)OC(C)(C)C)CC4)C3)s2)c1,TVKLTIVWCGFZFM-UHFFFAOYSA-N
-rxn:4:219521:225290,CC(C)Oc1cc(-c2ccc(C(=O)N3CCC(c4nn(C)c(=O)n4C4CC4)CC3)o2)cc(C(F)(F)F)c1,DIJKLAOQJMSWLF-UHFFFAOYSA-N
-rxn:4:219524:222778,Cc1cc(C)nc(OC2CCCN(C(=O)c3cncc(-c4cncc(CNC(=O)OC(C)(C)C)c4)c3)C2)n1,WPQBTHIUQZTLAI-UHFFFAOYSA-N
-rxn:4:219530:225569,COC(=O)c1cc(-c2cnc(OC3CCN(C4CCN(C5CC5)C4=O)CC3)nc2)ccc1C1CC1,QMUYKHDCHRRWEX-UHFFFAOYSA-N
-rxn:4:219534:222546,O=C(c1cncc(-c2ccc(OCCNC3CCCCC3)c(F)c2)c1)N1CCC(n2nc(C3CC3)ccc2=O)CC1,BMYWTQQENJNQTQ-UHFFFAOYSA-N
-rxn:4:219563:223591,COc1ccc(N2CCN(c3ccc(-c4ccc(-c5cc(N6CCN(C(=O)OC(C)(C)C)CC6)ccc5F)cc4)nn3)CC2)cc1,JEGNCGKBAXALQQ-UHFFFAOYSA-N
-rxn:4:219653:225868,CC(C)(C)OC(=O)N1CCN(c2nc3ccc(-c4ccc(N5CCOCC5)c(F)c4)nc3s2)CC1,ULHQSMGMIMGIMC-UHFFFAOYSA-N
-rxn:4:219653:225869,CC(C)(C)OC(=O)N1CCN(c2nc3ccc(-c4ccc(N5CCOCC5)c(Cl)c4)nc3s2)CC1,HQJGFLPQIIGVRG-UHFFFAOYSA-N
-rxn:4:219653:225870,CC(C)(C)OC(=O)N1CCN(c2nc3ccc(-c4cc(F)cc(N5CCOCC5)c4)nc3s2)CC1,BFPWQLSLMRVZLV-UHFFFAOYSA-N
-rxn:4:219653:225874,CC(C)(C)OC(=O)N1CCN(c2nc3ccc(-c4ccc(F)c(N5CCOCC5)c4)nc3s2)CC1,SVWVREIBFSWDFN-UHFFFAOYSA-N
-rxn:4:219653:225875,CC(C)(C)OC(=O)N1CCN(c2nc3ccc(-c4ccc(N5CCOCC5)cc4Cl)nc3s2)CC1,WRIQPJQMUGKAQD-UHFFFAOYSA-N
-rxn:4:219653:225878,CC(C)(C)OC(=O)N1CCN(c2nc3ccc(-c4cc(Cl)cc(N5CCOCC5)c4)nc3s2)CC1,OVKJHKVHJCBQQL-UHFFFAOYSA-N
-rxn:4:219653:225879,CC(C)(C)OC(=O)N1CCN(c2nc3ccc(-c4ccc(N5CCOCC5)cc4F)nc3s2)CC1,DZEQJWILLPPPCP-UHFFFAOYSA-N
-rxn:4:219742:224619,O=C(c1cncc(-c2ccc(OCCN3CCCC3)c(F)c2)c1)N1CCC(Cn2nc3c(cc2=O)CCC3)CC1,XNDAUFHOBZSQQC-UHFFFAOYSA-N
-rxn:4:219758:223651,Cc1nc(C2CCN(C(=O)OC(C)(C)C)C2)ccc1-c1ccccc1CC(=O)N1CCN(c2cc3c(nn2)CCCC3)CC1,VFKWOTWCBYHRKT-UHFFFAOYSA-N
-rxn:4:219840:223670,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2cnc(N3CCN(CCF)CC3)nc2)CC1,XLFBELDJSBPHIT-UHFFFAOYSA-N
-rxn:4:219955:226259,CCCCOc1ccc(-c2cnc(N3CCOC(C(=O)N4CCSCC4)C3)nc2)cc1Cl,JOBYCCVZJBFCKJ-UHFFFAOYSA-N
-rxn:4:219955:226485,COCCOc1cc(-c2cnc(N3CCOC(C(=O)N4CCSCC4)C3)nc2)ccc1Cl,PBMLPAWGNSIRCW-UHFFFAOYSA-N
-rxn:4:219959:223562,CC(C)(C)OC(=O)N1CCC(Cc2ccc(-c3cnc(N4CCOC(C(=O)N5CCOCC5)C4)nc3)cc2)CC1,ONUFNJFOBYVRBT-UHFFFAOYSA-N
-rxn:4:219981:224617,O=C(C1CCCN(c2ncc(-c3ccc(OCCN4CCCC4)c(Cl)c3)cn2)C1)N1CCSCC1,FYIYNMNEHVEBCZ-UHFFFAOYSA-N
-rxn:4:219981:224619,O=C(C1CCCN(c2ncc(-c3ccc(OCCN4CCCC4)c(F)c3)cn2)C1)N1CCSCC1,AJOZLGQVLKRKOX-UHFFFAOYSA-N
-rxn:4:219989:222598,Cc1cc(-c2cc(Cl)cnc2N2CCC(N(C)c3ccccn3)CC2)cc(C)c1S(=O)(=O)NC1CCCC1,NGBCIXXQVGKNTO-UHFFFAOYSA-N
-rxn:4:220049:223790,CC(C)(C)OC(=O)N1CCCC1c1cncc(-c2cn(CCN3CCOCC3)c3ncnc(Cl)c23)c1,VUTRNHUHMLRZSJ-UHFFFAOYSA-N
-rxn:4:220135:224195,CCN1CCN(Cc2cc(-c3ccccc3S(=O)(=O)N3C4CCC3CC(n3cncn3)C4)ccc2Cl)CC1,JYPRHLAYHSCRSW-UHFFFAOYSA-N
-rxn:4:220136:224396,Cc1cc(-c2ccc3ncnc(N4CCN(S(=O)(=O)C5CC5)CC4)c3c2)ccc1S(=O)(=O)N1CCOCC1,IENZGLQKSXUSCH-UHFFFAOYSA-N
-rxn:4:220137:223928,CC(C)(C)OC(=O)N1CCc2ncc(-c3ccc4nc(N5CCN(S(=O)(=O)C6CC6)CC5)ncc4c3)cc2C1,RBYJIOGJHGYYCN-UHFFFAOYSA-N
-rxn:4:220257:224668,CCN1CCN(c2cc(F)cc(-c3ccc4c(c3)nn3c(C)c(CC(=O)N5CCOCC5)c(C)nc43)c2)CC1,OXCJRSKBCZSUGZ-UHFFFAOYSA-N
-rxn:4:220426:223927,C[Si](C)(C)CCOCn1c(-c2cnc(N3CCOCC3)nc2N2CCOCC2)cc2cccnc21,MPZONUCVTPGHKX-UHFFFAOYSA-N
-rxn:4:220429:222389,c1nc(N2CCCN(C3CCOC3)CC2)ncc1-c1cc(C2CCNCC2)nc(C2CCNCC2)c1,VIPHEILPVLOINL-UHFFFAOYSA-N
-rxn:4:220533:224863,CC(C)N(Cc1ccccc1-c1cnc(N2CC(N3CC4CCCC4C3)C2)nc1)C(C)C,QGBZRYFVKQIIRD-UHFFFAOYSA-N
-rxn:4:221100:224672,CCN1CCN(c2ccc(-c3cnc(OCC4CCN(C(=O)c5cn(C)nc5OC)CC4)nc3)c(Cl)c2)CC1,HZWKVMVIWRJZPR-UHFFFAOYSA-N
-rxn:4:221110:222769,CN1CCN(CC#CCOC2CCN(c3ncc(-c4ccc(C(=O)NC5CCCC5)c(F)c4)cn3)CC2)CC1,QUCOMCAWAUGUIQ-UHFFFAOYSA-N
-rxn:4:221114:223025,CCCNC(=O)c1cc(-c2ccc(OCC)c(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCCC5)n4)CC3)c2)ccc1Cl,JZGPEQONPUHESP-UHFFFAOYSA-N
-rxn:4:221121:223113,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc6c(c5)C(C)(C)C(=O)N6)ccc43)CC2)CC1,SMEGMGBPSKPJLZ-UHFFFAOYSA-N
-rxn:4:221147:222693,N#Cc1ccnc(N2CCCC(COc3ncc(-c4ccc(S(=O)(=O)NC5CCCCC5)cc4)cn3)C2)c1,BCHOLDZJZRIZPF-UHFFFAOYSA-N
-rxn:4:221175:222424,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4cccc(NS(=O)(=O)c5cccc6c(N(C)C)cccc56)c4)cn3)C2)C(=O)C1=O,YOIIFTFFKZLJBK-UHFFFAOYSA-N
-rxn:4:221175:223043,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4ccc(C(=O)NC5CC5)c(Cl)c4)cn3)C2)C(=O)C1=O,VQXMKFKPVDDJFR-UHFFFAOYSA-N
-rxn:4:221175:223762,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4c(C(=O)OC)c(C)n(Cc5ccccc5)c4C)cn3)C2)C(=O)C1=O,FKGYLDSUSVQQAR-UHFFFAOYSA-N
-rxn:4:221186:224460,CN(CC1CCN(c2ncc(-c3cc(C4CC4)cc(N4CCCCC4)c3)cn2)CC1)c1cc(C(F)(F)F)ccn1,CNHYYBFXFCQJBX-UHFFFAOYSA-N
-rxn:4:221202:224652,CC(C)(C)[Si](C)(C)Oc1cc(-c2ccccc2C(=O)N2CCN(Cc3nncn3C3CCCCC3)CC2)ccc1Cl,REIBZBSHACAYHF-UHFFFAOYSA-N
-rxn:4:221205:223679,CCN1CCN(S(=O)(=O)c2c(C)cc(-c3ccc(CCN4CCN(c5ccnc(N6CCOCC6)n5)CC4)cc3)cc2C)CC1,KTVZNXWIUVTLNR-UHFFFAOYSA-N
-rxn:4:221249:225301,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc4c(-c5cc(OC6CCOCC6)ncc5F)cnn4c3)cc2)CC1,WIKSJKRMOMWOGX-UHFFFAOYSA-N
-rxn:4:221345:222543,CC(C)(C)OC(=O)NC1(c2ccc(-c3cnc(OCC4CCN(c5ncc(Cl)cn5)CC4)nc3)cc2)CC1,MMKFAYFFQUQQGT-UHFFFAOYSA-N
-rxn:4:221353:223830,CCN1CCN(S(=O)(=O)c2cc(-c3cncc(C(=O)N4CCC(n5cc(C6CC6)nn5)C4)c3)ccc2C)CC1,HDWNDPSZDKDOKH-UHFFFAOYSA-N
-rxn:4:221379:224484,CC(C)N(C(=O)c1ccccc1-c1cncc(C(=O)N2CCC(N(C)c3ncc(Cl)cn3)CC2)c1)C(C)C,KKVJJKGULSSHPZ-UHFFFAOYSA-N
-rxn:4:221382:223507,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccccc2-c2cncc(C(=O)N3CCN(c4ccc(C5CC5)nn4)CC3)c2)CC1,KTHWQYRXWNSGMJ-UHFFFAOYSA-N
-rxn:4:221394:224323,Cc1cc(-c2cnc(N3CCC(Cn4nc(C5CC5)ccc4=O)CC3)nc2)cc(C)c1S(=O)(=O)N1CCCC1,WOZZQORLDHTQRD-UHFFFAOYSA-N
-rxn:4:221394:224752,Cc1cc(S(=O)(=O)N2CCCC2)ccc1-c1cnc(N2CCC(Cn3nc(C4CC4)ccc3=O)CC2)nc1,HKEFKYFXGCDLIR-UHFFFAOYSA-N
-rxn:4:221402:224177,CC(C)COc1cc(-c2ccccc2CN2CCN(c3ccnc(N(C)C)n3)CC2)cc(Cl)c1OC(C)C,BZFRSGIGWMZCFK-UHFFFAOYSA-N
-rxn:4:221434:225354,CCOc1cc(-c2ccccc2C(=O)N2CCN(c3ccc(N4CCCCC4)nn3)CC2)cc(C(F)(F)F)c1F,KCRZZNFQUBGFHV-UHFFFAOYSA-N
-rxn:4:221436:225902,CON(C)C(=O)c1ccc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCCCC5)nn4)CC3)cc2)cc1F,ZQAWDEFBAYNEFR-UHFFFAOYSA-N
-rxn:4:221441:222522,COc1ccc(-c2cccc(CN3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)c2)cc1S(=O)(=O)N1CCC(O)CC1,JDSODGMSIWKFDG-UHFFFAOYSA-N
-rxn:4:221441:225258,CCOC(=O)COc1cc(Cl)cc(-c2cccc(CN3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)c2)c1,BCRAHMDCLHDODR-UHFFFAOYSA-N
-rxn:4:221449:223240,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C5CCNC5)nc4)cc3)CC2)n1,JYCRPYXGUQOYND-UHFFFAOYSA-N
-rxn:4:221453:224416,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4cnc(C(F)(F)C(F)(F)C(F)(F)F)nc4)cc3)CC2)n1,IZGKTJBSMJDKPE-UHFFFAOYSA-N
-rxn:4:221498:223945,CC(C)(C)OC(=O)N1CCN(c2ncnc3[nH]cc(-c4ccc(OCCCN5CCOCC5)c(F)c4)c23)CC1,HLLCMPPZGGPGEX-UHFFFAOYSA-N
-rxn:4:221498:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3c[nH]c4ncnc(N5CCN(C(=O)OC(C)(C)C)CC5)c34)cc2)CC1,OADDODPKBRVUFP-UHFFFAOYSA-N
-rxn:4:221502:222546,Fc1cc(-c2cnccc2OC2CCN(c3nccn4nc(C5CC5)cc34)C2)ccc1OCCNC1CCCCC1,JRMPLXUONHGSIM-UHFFFAOYSA-N
-rxn:4:221502:223728,CCCCCC1CCC(c2ccc(-c3cnccc3OC3CCN(c4nccn5nc(C6CC6)cc45)C3)c(F)c2)CC1,SKJRJUTTYYTEHQ-UHFFFAOYSA-N
-rxn:4:221522:223671,COc1ccc2c(=O)n(CC3CCN(c4ncc(-c5ccnc(N6CCN(C(=O)OC(C)(C)C)CC6)c5)cn4)CC3)cnc2c1,VDXCNDJPLWRVNY-UHFFFAOYSA-N
-rxn:4:221535:222629,Cn1c(=O)c2c(nc(CN3CCOCC3)n2Cc2ccc(-c3cc(C4CCCNC4)nc(C(C)(C)C)c3)cc2)n(C)c1=O,SFHTYKYBYAZILV-UHFFFAOYSA-N
-rxn:4:221563:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2ccc(N3CCCn4c3nc3c4c(=O)n(CCC(C)C)c(=O)n3C)cc2)CC1,HLEDSXPGOULRDM-UHFFFAOYSA-N
-rxn:4:221572:225217,CC(C)CCn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3cnc(N4CCCC(C)C4)cc3F)cc2)n(C)c1=O,VDDUCHWSUZDKGF-UHFFFAOYSA-N
-rxn:4:221572:225975,CC(C)CCn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3ccnc(N4CCOCC4)c3Cl)cc2)n(C)c1=O,MDCFHUSIZCVORS-UHFFFAOYSA-N
-rxn:4:221585:223504,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnn(CC4CN(c5ncccn5)C4)c3)cc2[N+](=O)[O-])CC1,PFXUWZXCELQMRW-UHFFFAOYSA-N
-rxn:4:221604:223594,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)cc(-c3ccc(-n4cnnn4)cc3C(=O)N3CCSCC3)c2)CC1,MEPCDBKDQDTTHC-UHFFFAOYSA-N
-rxn:4:221642:227596,O=C1CN(C2CCN(c3ncc(-c4cnc(N5CCCC5)nc4)cn3)CC2)C(=O)N1C1CC1,XYJMAQLYSUUZBB-UHFFFAOYSA-N
-rxn:4:221736:225894,Cc1nc2c(c(N3CC4CN(C(=O)c5cncc(-c6cccc(COCC(F)(F)F)c6)c5)CC4C3)n1)CCC2,ZSQGRTQBHFGBLJ-UHFFFAOYSA-N
-rxn:4:221787:224286,Cc1cc(C)cc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4ccc(OCCN5CCOCC5)c(Cl)c4)cc3)c(=O)n2C)c1,JNCVOOBSKCNSIK-UHFFFAOYSA-N
-rxn:4:221806:223504,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cccc(N4CCN(c5ncccn5)CC4)n3)cc2[N+](=O)[O-])CC1,LJWULCLIJXFEMZ-UHFFFAOYSA-N
-rxn:4:221918:224712,CC(=O)OC(OC(C)=O)c1ccc(-c2ccc(CC(=O)N3CCC(n4cc(-c5nc(C(C)C)no5)nn4)C3)cc2)cc1,FIPJAOQOQDIMGO-UHFFFAOYSA-N
-rxn:4:221965:224716,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(N(C)C(=O)OC(C)(C)C)nc5)cc4)CC3)nn2)CC1,FSDQXTVDWRVDSJ-UHFFFAOYSA-N
-rxn:4:222056:224322,CC1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCN(c5cc(C(C)(C)C)nc(C6CC6)n5)CC4)nc3)cc2)CC1,WYBITUBZEHDOJO-UHFFFAOYSA-N
-rxn:4:222075:223694,CCN1CCN(S(=O)(=O)c2cc(-c3cnn(CC4CN(c5nccn6nc(C7CC7)cc56)C4)c3)c(F)cc2C)CC1,LURCMGVIBPHDOH-UHFFFAOYSA-N
-rxn:4:222108:225999,COC(=O)c1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(F)c6)C(=O)C54)n3)cc2)c([N+](=O)[O-])c1,MTPFKTQYNIHBFF-UHFFFAOYSA-N
-rxn:4:222138:224659,CN1CCN(C(=O)c2cccc(-c3ccc(N4CCCn5c4nc4c5c(=O)n(CCN5CCOCC5)c(=O)n4C)cc3)c2)CC1,UDWHVLDZDNXRPY-UHFFFAOYSA-N
-rxn:4:222161:223769,Cn1nc(C2CCN(c3ncc(-c4cc5cccc(C#N)c5n4C(=O)OC(C)(C)C)cn3)CC2)n(C2CC2)c1=O,NVYDHBXNJHFBBA-UHFFFAOYSA-N
-rxn:4:222164:224582,Cc1nc(C2CC2)nc(N2CCN(c3ncc(-c4cccc(N5CCN(C6CC6)CC5)c4)cn3)CC2)c1F,ZXGYPNBKFLLNMN-UHFFFAOYSA-N
-rxn:4:222174:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3ccc4c(C(=O)N5CC(n6ccnn6)C5)n(C)nc4c3)c2)CC1,KNKPBJJICRVAOA-UHFFFAOYSA-N
-rxn:4:222203:224196,CCN1CCN(Cc2cc(F)cc(-c3cncc(C(=O)N4CCN(c5nccn6nc7c(c56)CCCC7)CC4)c3)c2)CC1,HGGILUIAHKLLNH-UHFFFAOYSA-N
-rxn:4:222331:222852,OC1CCN(Cc2cccc(-c3cnc(N4CCN(c5nccc(N6CCOCC6)n5)CC4)nc3)c2)CC1,YGTSIDIKVSFUIB-UHFFFAOYSA-N
-rxn:4:222349:222699,Cn1cnc2c(N3CC4CN(C(=O)c5cncc(-c6ccc(C7CCCNC7)c(C(F)(F)F)c6)c5)CC4C3)ncnc21,IULYLMXIUTYABA-UHFFFAOYSA-N
-rxn:4:222366:222709,CN(c1ncc(-c2cc(C(=O)NC(C)(C)C)cc([N+](=O)[O-])c2)cn1)C1CN(c2ccc3nnc(C4CCC4)n3n2)C1,SRWNOQHETYKWAG-UHFFFAOYSA-N
-rxn:4:222389:214863,Cc1cc(N2CCN(Cc3ccccc3)CC2)ncc1-c1cc(C2CCNCC2)nc(C2CCNCC2)c1,AVTLQOINJGUTOQ-UHFFFAOYSA-N
-rxn:4:222442:187598,O=C(c1ccccc1-c1ccc(S(=O)(=O)NC2CCCC2)c2ccccc12)N1CC(S(=O)(=O)C2CCCCC2)C1,KPBBWLWSTLTWQP-UHFFFAOYSA-N
-rxn:4:222581:187596,CC(C)NS(=O)(=O)c1ccc(-c2ccc(F)c(C3CCN(C(=O)OC(C)(C)C)CC3)c2)c2ccccc12,JDJBQNWAZFPCRD-UHFFFAOYSA-N
-rxn:4:222600:185351,CC(C)CS(=O)(=O)C1CCN(C(=O)c2ccccc2-c2ccc3nc(NC(=O)OC(C)(C)C)sc3c2)CC1,RNJCYBMGEGDVTL-UHFFFAOYSA-N
-rxn:4:222613:176131,CCCNS(=O)(=O)c1ccc(-c2cc(SC(C)(C)C)cc(SC(C)(C)C)c2)c(C(F)(F)F)c1,WGKAONSLBJQAMR-UHFFFAOYSA-N
-rxn:4:222791:174518,CC(C)[Si](Oc1ccc(F)c(-c2cc(NC(=O)OC(C)(C)C)ccc2Cl)c1)(C(C)C)C(C)C,XBTSZGRRTHGUIT-UHFFFAOYSA-N
-rxn:4:223080:213895,CC(C)NS(=O)(=O)c1ccc(-c2cnc(C3CCCCN3C(=O)OC(C)(C)C)nc2)cc1,LMIPQCWCSYARII-UHFFFAOYSA-N
-rxn:4:223080:219370,CC(C)NS(=O)(=O)c1ccc(-c2cnn(C3CCCN(C(=O)OC(C)(C)C)C3)n2)cc1,ZMOQTGDCPMYVON-UHFFFAOYSA-N
-rxn:4:223641:174428,CCc1cc2c(cc1F)cc(-c1ccc(SC(C)(C)C(=O)OC(C)(C)C)cc1)n2C(=O)OC(C)(C)C,ZHCRWOMCKWQXBR-UHFFFAOYSA-N
-rxn:4:223671:206342,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cccc(C(=O)N4CCSCC4)n3)ccn2)CC1,BHPKLLZYXQTEEU-UHFFFAOYSA-N
-rxn:5:176563:225805:225982,CCC(=O)Oc1ccc(-c2ccc(C(C)N3CCOCC3)s2)cc1-c1cnc(N2CCOCC2)cc1F,NJBCAHYOVDGKLJ-UHFFFAOYSA-N
-rxn:5:176860:223058:225784,COC(=O)c1c(-c2cc(F)nc(C3CCCNC3)c2)ccc(OC)c1-c1ccc(CN2CCOCC2)nc1,CMYLZAOAXNXCBG-UHFFFAOYSA-N
-rxn:5:176860:225982:225784,COC(=O)c1c(-c2cnc(N3CCOCC3)cc2F)ccc(OC)c1-c1ccc(CN2CCOCC2)nc1,PBEQTUCEWXKIMH-UHFFFAOYSA-N
-rxn:5:177184:225636:225833,CCOC(=O)c1c(-c2ccnc(N3CCCCC3)c2F)ccc(C)c1-c1ccnc(N2CCC(C)CC2)c1,YLJMQFXFNFVKIC-UHFFFAOYSA-N
-rxn:5:177184:225636:225849,CCOC(=O)c1c(-c2cnc(N3CCCCC3)cc2F)ccc(C)c1-c1ccnc(N2CCC(C)CC2)c1,OYXXHJYBENTSKF-UHFFFAOYSA-N
-rxn:5:177184:225652:225833,CCOC(=O)c1c(-c2ccnc(N3CCCCC3)c2F)ccc(C)c1-c1cncc(N2CCCC(C)C2)c1,ZFABWWRRTJUQSC-UHFFFAOYSA-N
-rxn:5:177184:225655:225833,CCOC(=O)c1c(-c2ccnc(N3CCCCC3)c2F)ccc(C)c1-c1cncc(N2CCC(C)CC2)c1,WVBOSYCAZYCRQK-UHFFFAOYSA-N
-rxn:5:177185:225943:223062,CC(C)OC(=O)c1cc(-c2ccc(C(=O)N3CCOCC3)s2)ccc1-c1cnc(C2CCNCC2)cc1F,HHKLPNUNOHGCNP-UHFFFAOYSA-N
-rxn:5:177185:225943:223063,CC(C)OC(=O)c1cc(-c2ccc(C(=O)N3CCOCC3)s2)ccc1-c1cc(F)nc(C2CCNCC2)c1,VADXKBMDFCMNIG-UHFFFAOYSA-N
-rxn:5:177189:223002:225636,CCOC(=O)c1c(-c2ccc(C3CCNCC3)cc2F)ccc(C)c1-c1ccnc(N2CCC(C)CC2)c1,MHRJBFBUBAPOTC-UHFFFAOYSA-N
-rxn:5:177189:223058:225636,CCOC(=O)c1c(-c2cc(F)nc(C3CCCNC3)c2)ccc(C)c1-c1ccnc(N2CCC(C)CC2)c1,WLTLADCZSORTFB-UHFFFAOYSA-N
-rxn:5:177189:223061:225655,CCOC(=O)c1c(-c2cc(C3CCNCC3)ncc2F)ccc(C)c1-c1cncc(N2CCC(C)CC2)c1,LTLPHBSBOZGUBD-UHFFFAOYSA-N
-rxn:5:177189:223064:225638,CCOC(=O)c1c(-c2ccc(C3CCNCC3)nc2F)ccc(C)c1-c1ccc(N2CCC(C)CC2)nc1,GPCTXRDZUWDQNH-UHFFFAOYSA-N
-rxn:5:177189:223064:225639,CCOC(=O)c1c(-c2ccc(C3CCNCC3)nc2F)ccc(C)c1-c1cccnc1N1CCC(C)CC1,RFNDQBCKZVFTOZ-UHFFFAOYSA-N
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-rxn:5:178122:227371:225394,COc1c(C)ccc(-c2ccc(COC3CCCCO3)c(-c3cc(C4CCC4)cc(C4CC4)c3)c2)c1OC,NKCHOYXDOAZAGG-UHFFFAOYSA-N
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-rxn:5:178224:225499:226464,COc1ccc2c(c1-c1cc(OCC3CCCCC3)cc(-c3ccc(C4CCCCC4)cc3F)c1)OCCO2,KKLNFWNFLYYCHO-UHFFFAOYSA-N
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-rxn:5:178295:225395:228178,COCc1ccc(F)c(-c2ccc(-c3cc(C4CC4)cc(C(C)(C)C)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,CTLXTVGFQVWLKW-UHFFFAOYSA-N
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-rxn:5:178295:226146:228800,COC(=O)C1(c2cc(-c3cc(F)ccc3SC)ccc2-c2ccc(SC3CCCC3)cc2)CCC(=O)CC1,OHHHTINLZWJMHV-UHFFFAOYSA-N
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-rxn:5:178313:225451:227044,CC(C)(C)[Si](C)(C)Oc1ccc(-c2ccc(SC3CCCCC3)cc2)c(-c2ccc(C(=O)C3CC3)cc2)c1,BWAARZWIBLDTCP-UHFFFAOYSA-N
-rxn:5:178314:226069:226189,CC(C)(C)[Si](C)(C)Oc1cc(-c2cccc(C3CCCCC3)c2)ccc1-c1ccc(C2CCCC2)c(F)c1,DPVAAVHDNACPHX-UHFFFAOYSA-N
-rxn:5:178315:225407:226969,CC(C)(C)[Si](C)(C)Oc1cc(-c2ccc(C3CCCCCC3)cc2)cc(-c2ccc3c(c2)CCCC3=O)c1,YENAENIZPJRDCT-UHFFFAOYSA-N
-rxn:5:178315:225407:227044,CC(C)(C)[Si](C)(C)Oc1cc(-c2ccc(C(=O)C3CC3)cc2)cc(-c2ccc(C3CCCCCC3)cc2)c1,FHHVAIZRTUHGNY-UHFFFAOYSA-N
-rxn:5:178466:223002:225799,CC(C)OC(=O)c1sc2cc(-c3ccc(C4CCNCC4)cc3F)ccc2c1-c1cncc(OC2CCOCC2)c1,GQIHBQSCKIZKNT-UHFFFAOYSA-N
-rxn:5:178466:223061:226583,CC(C)OC(=O)c1sc2cc(-c3cc(C4CCNCC4)ncc3F)ccc2c1-c1ccc(CN2CCOCC2)s1,CHMYEODAITUXEG-UHFFFAOYSA-N
-rxn:5:178466:225633:223063,CC(C)OC(=O)c1sc2cc(-c3ccc(N4CCCCCC4)nc3)ccc2c1-c1cc(F)nc(C2CCNCC2)c1,IRJRRNXKHDXBGS-UHFFFAOYSA-N
-rxn:5:178466:225639:225976,CC1CCN(c2ncccc2-c2ccc3c(-c4ccnc(N5CCOCC5)c4F)c(C(=O)OC(C)C)sc3c2)CC1,JOFCJTSJJKWLAA-UHFFFAOYSA-N
-rxn:5:178466:225655:225976,CC1CCN(c2cncc(-c3ccc4c(-c5ccnc(N6CCOCC6)c5F)c(C(=O)OC(C)C)sc4c3)c2)CC1,CEZFPRSQIHMMTO-UHFFFAOYSA-N
-rxn:5:178466:225784:223062,CC(C)OC(=O)c1sc2cc(-c3ccc(CN4CCOCC4)nc3)ccc2c1-c1cnc(C2CCNCC2)cc1F,YWTAMIPMHJAMSA-UHFFFAOYSA-N
-rxn:5:178466:225784:223063,CC(C)OC(=O)c1sc2cc(-c3ccc(CN4CCOCC4)nc3)ccc2c1-c1cc(F)nc(C2CCNCC2)c1,KSAJRLIWZSHVEB-UHFFFAOYSA-N
-rxn:5:178466:225799:223061,CC(C)OC(=O)c1sc2cc(-c3cncc(OC4CCOCC4)c3)ccc2c1-c1cc(C2CCNCC2)ncc1F,PYGAAYRONMDRRY-UHFFFAOYSA-N
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-rxn:5:178466:225873:223061,CC(C)OC(=O)c1sc2cc(-c3cccc(N4CCOCC4=O)c3)ccc2c1-c1cc(C2CCNCC2)ncc1F,WSNDMURTISVIBJ-UHFFFAOYSA-N
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-rxn:5:178467:223008:223010,CCOC(=O)C1=Cc2cc(-c3ccc(C4(O)CCOCC4)cc3)cc(-c3cc(C4CCNCC4)ccc3F)c2OC1,RUSYSNGLUFAFBC-UHFFFAOYSA-N
-rxn:5:178467:223054:223134,CCOC(=O)C1=Cc2cc(-c3cnccc3C3CCCNC3)cc(-c3ccc(C(C)N4CCC(O)C4)s3)c2OC1,DVFFBLYFWDKYCU-UHFFFAOYSA-N
-rxn:5:178467:223058:223138,CCOC(=O)C1=Cc2cc(-c3ccnc(C4CCNCC4)c3)cc(-c3cc(F)nc(C4CCCNC4)c3)c2OC1,OBCLQQIJYJSNOG-UHFFFAOYSA-N
-rxn:5:178467:223061:227898,CCOC(=O)C1=Cc2cc(-c3cncc(CC(C)C)c3)cc(-c3cc(C4CCNCC4)ncc3F)c2OC1,GZTGMPOLANHEND-UHFFFAOYSA-N
-rxn:5:178467:223064:226794,CCOC(=O)C1=Cc2cc(-c3cnc(N4CCSCC4)nc3)cc(-c3ccc(C4CCNCC4)nc3F)c2OC1,SHQOVTICWYXZPD-UHFFFAOYSA-N
-rxn:5:178467:223202:222988,CCOC(=O)C1=Cc2cc(-c3cc(C)nc(C4CCNCC4)c3)cc(-c3ccc(C4(O)CCC4)cc3)c2OC1,UAWJDBOQFZRNEF-UHFFFAOYSA-N
-rxn:5:178467:223202:223147,CCOC(=O)C1=Cc2cc(-c3ccc(C4CNCCO4)cc3)cc(-c3ccc(C4(O)CCC4)cc3)c2OC1,PKXCSGHMQCUMRP-UHFFFAOYSA-N
-rxn:5:178467:225631:223240,CCOC(=O)C1=Cc2cc(-c3ccc(C4CCNC4)nc3)cc(-c3ccc(N4CCN(C)CC4)cc3)c2OC1,KNGGMAPSWHBNON-UHFFFAOYSA-N
-rxn:5:178467:225803:228974,CCOC(=O)C1=Cc2cc(-c3cnn(S(C)(=O)=O)c3)cc(-c3ccnc(OC4CCOCC4)c3)c2OC1,DVCNNKZNTRIOSP-UHFFFAOYSA-N
-rxn:5:178467:225834:226662,CCOC(=O)C1=Cc2cc(-c3ccc(N4CCN(C)CC4)s3)cc(-c3cc(N4CCCCC4)ncc3F)c2OC1,DLBMUPGPFOVHDU-UHFFFAOYSA-N
-rxn:5:178467:225849:223011,CCOC(=O)C1=Cc2cc(-c3cc4[nH]ncc4cc3OC(C)C)cc(-c3cnc(N4CCCCC4)cc3F)c2OC1,KXUSLPPDASOMLL-UHFFFAOYSA-N
-rxn:5:178467:225874:228097,CCOC(=O)C1=Cc2cc(-c3cncc(CN(C)C)c3)cc(-c3ccc(F)c(N4CCOCC4)c3)c2OC1,MPISMAPHNIXNCI-UHFFFAOYSA-N
-rxn:5:178467:226437:225639,CCOC(=O)C1=Cc2cc(-c3cccnc3N3CCC(C)CC3)cc(-c3cc(C4CCCC4)ncc3F)c2OC1,WNZGFGYWKQZQOO-UHFFFAOYSA-N
-rxn:5:178467:226438:225652,CCOC(=O)C1=Cc2cc(-c3cncc(N4CCCC(C)C4)c3)cc(-c3cnc(C4CCCC4)cc3F)c2OC1,ZPOPFFPOGVMWRJ-UHFFFAOYSA-N
-rxn:5:178467:226440:227020,CCOC(=O)C1=Cc2cc(-c3cncc(C#CC4CC4)c3)cc(-c3cc(F)nc(C4CCCC4)c3)c2OC1,WLLLNUMOKRCAOZ-UHFFFAOYSA-N
-rxn:5:178467:226661:228292,CCOC(=O)C1=Cc2cc(-c3ccnc4c3OCCO4)cc(-c3cc(N4CCN(C)CC4)cs3)c2OC1,SHUAOJIPKLALTK-UHFFFAOYSA-N
-rxn:5:178467:227086:225515,CCOC(=O)C1=Cc2cc(-c3cccc4c3OCC(C)(C)CO4)cc(-c3ccnc(C4CCCC4)c3)c2OC1,AFKGEQDIJFVNGY-UHFFFAOYSA-N
-rxn:5:178467:227278:223138,CCOC(=O)C1=Cc2cc(-c3ccnc(C4CCNCC4)c3)cc(-c3ccc(C4(C#N)CC4)nc3)c2OC1,RCIANIUUZJVQIC-UHFFFAOYSA-N
-rxn:5:178467:227319:223134,CCOC(=O)C1=Cc2cc(-c3cnccc3C3CCCNC3)cc(-c3cc(CC(C)C)ncc3F)c2OC1,VFANQTIQAOQDTI-UHFFFAOYSA-N
-rxn:5:178467:227319:223136,CCOC(=O)C1=Cc2cc(-c3ccncc3C3CCCNC3)cc(-c3cc(CC(C)C)ncc3F)c2OC1,ZFIZRIGTEUACKA-UHFFFAOYSA-N
-rxn:5:178467:227319:223137,CCOC(=O)C1=Cc2cc(-c3cncc(C4CCCNC4)c3)cc(-c3cc(CC(C)C)ncc3F)c2OC1,WVLUGXQGRJRUHP-UHFFFAOYSA-N
-rxn:5:178467:227506:223138,CCOC(=O)C1=Cc2cc(-c3ccnc(C4CCNCC4)c3)cc(-c3cccc(/C=C/[N+](=O)[O-])c3)c2OC1,RRGDSJHKZOANCS-UKTHLTGXSA-N
-rxn:5:178467:227518:226794,CCOC(=O)C1=Cc2cc(-c3cnc(N4CCSCC4)nc3)cc(-c3ccc(OC)c(C#N)c3F)c2OC1,ICOALHURPWWKBN-UHFFFAOYSA-N
-rxn:5:178467:227958:225515,CCOC(=O)C1=Cc2cc(-c3cccc4c3OCC(C)(C)CO4)cc(-c3ccnc(C4CCC4)c3)c2OC1,LOEUCNZYDPLNCZ-UHFFFAOYSA-N
-rxn:5:179418:225684:225805,Cc1nc(C2CCOCC2)ccc1-c1cc(CS(C)(=O)=O)ccc1-c1ccc(C(C)N2CCOCC2)s1,HGBDHCQXJWBNDJ-UHFFFAOYSA-N
-rxn:5:180022:222958:223010,COc1c(-c2ccc(C3(O)CCOCC3)cc2)ccc(-c2ccc(C)c(C3CCNCC3)c2)c1C1OCCO1,DOFGXKNHNMDNAK-UHFFFAOYSA-N
-rxn:5:180022:223010:222958,COc1c(-c2ccc(C)c(C3CCNCC3)c2)ccc(-c2ccc(C3(O)CCOCC3)cc2)c1C1OCCO1,BADMROXWGFAMEF-UHFFFAOYSA-N
-rxn:5:180022:223010:222959,COc1c(-c2ccc(C3CCNCC3)c(C)c2)ccc(-c2ccc(C3(O)CCOCC3)cc2)c1C1OCCO1,QUNKWDUUSLYDQF-UHFFFAOYSA-N
-rxn:5:180022:223148:225985,COc1c(-c2cccc(N3CCCS3(=O)=O)c2)ccc(-c2ccccc2C2CNCCO2)c1C1OCCO1,CBLTXHCVMGHYKJ-UHFFFAOYSA-N
-rxn:5:180022:225985:227656,COc1c(-c2cc(N3CCOCC3)cs2)ccc(-c2cccc(N3CCCS3(=O)=O)c2)c1C1OCCO1,VFVVAJXVRCMPNY-UHFFFAOYSA-N
-rxn:5:180092:225849:223065,C[Si](C)(C)C#Cc1cc(-c2ccc(N3CCNCC3)cc2F)cc(-c2cnc(N3CCCCC3)cc2F)c1,CEMVONWPNZUJRT-UHFFFAOYSA-N
-rxn:5:180098:222405:225926,O=C1NC(=O)C(c2cccc(-c3ccc(-c4ccc(S(=O)(=O)N5CCC5)cc4)cc3OC3CCCC3)c2)N1,DPGLESSFTBTJBD-UHFFFAOYSA-N
-rxn:5:180098:225607:225928,Cc1ccc(-c2ccc(-c3ccc(C(C)N4CCCCC4)s3)c(OC3CCCC3)c2)cc1S(=O)(=O)N(C)C,MQNWOHDJTJLPSC-UHFFFAOYSA-N
-rxn:5:180267:225394:225924,CSc1cc(C(C)(C)C)cc(-c2cc(C3CCC3)cc(C3CC3)c2)c1-c1ccc(S(=O)(=O)N(C)C)cc1C,AOVMVLLNYWPBPH-UHFFFAOYSA-N
-rxn:5:180267:225925:225811,CSc1cc(C(C)(C)C)cc(-c2cc(S(=O)(=O)N(C)C)ccc2C)c1-c1ccc(C2(C(F)(F)F)CC2)cc1,GAYLBKHFKMKVQT-UHFFFAOYSA-N
-rxn:5:180377:225808:222405,CC(C)c1cc(-c2cccc(C3NC(=O)NC3=O)c2)cc(C(C)C)c1-c1cc(OC2CCCC2)ncc1F,RUKDNINQHMSSBV-UHFFFAOYSA-N
-rxn:5:180402:226062:223183,CNS(=O)(=O)c1ccc(-c2cc(-c3cc(C(C)C)cc(C(C)C)c3)ccc2C(=O)C2CCCCC2)c(C)c1,XAXBNMJGDFEDGA-UHFFFAOYSA-N
-rxn:5:180422:225683:223148,Cc1nc(C2CCCOC2)ccc1-c1ccc(CC2CCCCC2)cc1-c1ccccc1C1CNCCO1,WJZPAHUKFTVORZ-UHFFFAOYSA-N
-rxn:5:180506:227917:226428,CCc1ccc(OC)c(-c2cc(C(C)(C)C)cc(C3OCCO3)c2-c2cc(N3CCCCC3C)cs2)c1,NYDPMBYOCSBSFM-UHFFFAOYSA-N
-rxn:5:180602:226679:225834,COC(=O)C1Cc2cc(-c3cc(N4CCCCC4)ncc3F)cc(-c3cnc(N4CCCC4)cc3F)c2O1,STLAZGIBCLOLSH-UHFFFAOYSA-N
-rxn:5:180662:222986:227505,COC(=O)C1=Cc2cc(-c3ccc(/C=C/[N+](=O)[O-])cc3)cc(-c3cc(C)nc(C4CCCNC4)c3)c2OC1,BSTSLEJCKFUGKE-PKNBQFBNSA-N
-rxn:5:180749:225454:223064,CN1CC=C(c2ccc(-c3cc4c(cc3C(=O)c3ccc(-c5ccc(C6CCNCC6)nc5F)cc3)OCCO4)cc2)CC1,SHFNLRJIILNLOO-UHFFFAOYSA-N
-rxn:5:180749:226050:225499,O=C(c1ccc(-c2ccc(C3CCCCC3)cc2F)cc1)c1cc2c(cc1-c1c(F)cc(OC(F)(F)F)cc1F)OCCO2,JCAFCHJCLGPGFO-UHFFFAOYSA-N
-rxn:5:181624:223002:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2ccc(C3CCNCC3)cc2F)ccc1C1OCCO1,UBOYPSTYYLUAMM-UHFFFAOYSA-N
-rxn:5:181624:225832:223008,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(C2OCCO2)c(-c2cc(C3CCNCC3)ccc2F)c1,DRVBYRYZBNADDN-UHFFFAOYSA-N
-rxn:5:181625:225832:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(-c2c(C)nn(C3CCCCO3)c2C)c(C2OCCO2)c1,DLFCAKXVVZJHEW-UHFFFAOYSA-N
-rxn:5:181630:225832:225672,Cc1nn(C2CCCCO2)c(C)c1-c1cccc(C2OCCO2)c1-c1cc(F)nc(C2CCCCC2)c1,JONRNMMOCLNMPH-UHFFFAOYSA-N
-rxn:5:181903:225832:226197,Cc1nn(C2CCCCO2)c(C)c1-c1cc(C2(C)OCCO2)ccc1-c1ccc(C2CCCOC2)cc1,JACIHHXQAXSNPM-UHFFFAOYSA-N
-rxn:5:181904:225832:226414,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(C2OCCO2)c(C)c1-c1ccc(C2=NCCCO2)cc1,CJJUMOLXCGCFDN-UHFFFAOYSA-N
-rxn:5:181905:223007:226425,Cc1ccc(-c2ccc(N3CCCCC3C)s2)c(C2OCCO2)c1-c1cc(F)cc(C2CCNCC2)c1,FZKLUCBQTSEDJY-UHFFFAOYSA-N
-rxn:5:181907:222957:225683,Cc1cc(-c2cc(C)cc(C3OCCO3)c2-c2ccc(C3CCCOC3)nc2C)cc(C2CCCNC2)c1,IRELQJKPAKPILS-UHFFFAOYSA-N
-rxn:5:181907:225439:225652,Cc1cc(-c2cccc(C(C)N3CCCC3)c2)c(-c2cncc(N3CCCC(C)C3)c2)c(C2OCCO2)c1,XRWFVBDPDVQFAM-UHFFFAOYSA-N
-rxn:5:181907:225636:225638,Cc1cc(-c2ccnc(N3CCC(C)CC3)c2)c(-c2ccc(N3CCC(C)CC3)nc2)c(C2OCCO2)c1,TWWDZBGPTHGISL-UHFFFAOYSA-N
-rxn:5:181907:225639:225684,Cc1cc(-c2cccnc2N2CCC(C)CC2)c(-c2ccc(C3CCOCC3)nc2C)c(C2OCCO2)c1,WPKWFXBEIPUYDK-UHFFFAOYSA-N
-rxn:5:181907:225640:225407,Cc1cc(-c2ccnc(N3CCCCC3C)c2)c(-c2ccc(C3CCCCCC3)cc2)c(C2OCCO2)c1,YESAFQIIQGEEDM-UHFFFAOYSA-N
-rxn:5:181907:226179:225832,Cc1cc(-c2cncc(C3CCCCC3)c2)c(-c2c(C)nn(C3CCCCO3)c2C)c(C2OCCO2)c1,UDLVLGXDBFAMHO-UHFFFAOYSA-N
-rxn:5:181908:222957:225656,Cc1cc(-c2cc(C)c(C3OCCO3)cc2-c2cncc(N3CCCCC3C)c2)cc(C2CCCNC2)c1,HWAXADHJFNJEAA-UHFFFAOYSA-N
-rxn:5:181908:222981:225466,Cc1cc(-c2ccnc(NC3CCCCC3)c2)c(-c2ccc(N3CCCCC3C)cc2)cc1C1OCCO1,OCTAPMMPSCQVDB-UHFFFAOYSA-N
-rxn:5:181908:225407:222958,Cc1ccc(-c2cc(C3OCCO3)c(C)cc2-c2ccc(C3CCCCCC3)cc2)cc1C1CCNCC1,KGRGLTOPPAKZGY-UHFFFAOYSA-N
-rxn:5:181908:225451:225439,Cc1cc(-c2ccc(SC3CCCCC3)cc2)c(-c2cccc(C(C)N3CCCC3)c2)cc1C1OCCO1,VFDCRTFFELHXIH-UHFFFAOYSA-N
-rxn:5:181908:225640:222998,Cc1cc(-c2ccnc(N3CCCCC3C)c2)c(-c2cc(F)cc(C3CCCNC3)c2)cc1C1OCCO1,TZRJIKYABZRDKR-UHFFFAOYSA-N
-rxn:5:181908:225640:225674,Cc1cc(-c2ccnc(N3CCCCC3C)c2)c(-c2cnc(C3CCCCC3)cc2F)cc1C1OCCO1,XZCNSPGRDXRHKI-UHFFFAOYSA-N
-rxn:5:181908:225805:226186,Cc1cc(-c2ccc(C(C)N3CCOCC3)s2)c(-c2ccccc2C2CCOCC2)cc1C1OCCO1,LHGQYJYABZCEII-UHFFFAOYSA-N
-rxn:5:181908:226424:222957,Cc1cc(-c2cc(C3OCCO3)c(C)cc2-c2cc(N3CCCC(C)C3)cs2)cc(C2CCCNC2)c1,XQBIQNPZPJDYIH-UHFFFAOYSA-N
-rxn:5:182009:222981:222958,Cc1ccc(-c2ccc(-c3ccnc(NC4CCCCC4)c3)c(C3CCOCC3)c2)cc1C1CCNCC1,BQWNCILMBCIZFM-UHFFFAOYSA-N
-rxn:5:182010:225684:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(C2CCOCC2)c(-c2ccc(C3CCOCC3)nc2C)c1,XPGXRUMQBSHEJT-UHFFFAOYSA-N
-rxn:5:182010:226686:225462,Cc1cnn(C2CCCCO2)c1-c1cc(-c2cccc(N3CCC(C)CC3)c2)ccc1C1CCOCC1,JHBUJRJWISIMGV-UHFFFAOYSA-N
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-rxn:5:188375:225943:225980,COC(=O)Cc1nc(-c2cc(N3CCOCC3)ncc2F)ccc1-c1ccc(C(=O)N2CCOCC2)s1,KUSOBMPCAYYCIH-UHFFFAOYSA-N
-rxn:5:188383:223004:225805,CCOC(=O)c1cc(-c2ccc(C(C)N3CCOCC3)s2)cnc1-c1ccc(C2CCNCC2)c(F)c1,NHGFFZRDXODWTO-UHFFFAOYSA-N
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-rxn:5:188411:223054:225833,CCOC(=O)c1ncc(-c2ccc(C(C)N3CCC(O)C3)s2)cc1-c1ccnc(N2CCCCC2)c1F,MVZWRCZSZJVPQG-UHFFFAOYSA-N
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-rxn:5:188446:223191:225834,CNS(=O)(=O)c1ccc(-c2cc(C(=O)OC)cc([N+](=O)[O-])c2-c2cc(N3CCCCC3)ncc2F)cc1F,XCOYIHXDDGLIJI-UHFFFAOYSA-N
-rxn:5:188867:223061:226583,CC(C)OC(=O)c1cc(-c2ccc(CN3CCOCC3)s2)ncc1-c1cc(C2CCNCC2)ncc1F,LBRHNDSILLVAPN-UHFFFAOYSA-N
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-rxn:5:188867:225982:226583,CC(C)OC(=O)c1cc(-c2ccc(CN3CCOCC3)s2)ncc1-c1cnc(N2CCOCC2)cc1F,NWALAIYVIACPCN-UHFFFAOYSA-N
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-rxn:5:188868:223062:225943,CC(C)OC(=O)c1ccnc(-c2ccc(C(=O)N3CCOCC3)s2)c1-c1cnc(C2CCNCC2)cc1F,HWHYTKMQZATSFY-UHFFFAOYSA-N
-rxn:5:188868:225943:223006,CC(C)OC(=O)c1ccnc(-c2ccc(F)c(C3CCNCC3)c2)c1-c1ccc(C(=O)N2CCOCC2)s1,PNZVFQOSHQAZKN-UHFFFAOYSA-N
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-rxn:5:188930:223054:223135,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccc(C(C)N3CCC(O)C3)s2)cc1-c1cccnc1C1CCCNC1,JDZHASSTYDZQAR-UHFFFAOYSA-N
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-rxn:5:188956:223002:225943,CC(C)COc1cc(-c2ccc(C3CCNCC3)cc2F)cnc1-c1ccc(C(=O)N2CCOCC2)s1,CDHKUVXQMZIGFP-UHFFFAOYSA-N
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-rxn:5:188957:222996:225943,CC(C)COc1cc(-c2ccc(C(=O)N3CCOCC3)s2)ncc1-c1ccc(F)cc1C1CCCNC1,RIULPCWMJVKVPD-UHFFFAOYSA-N
-rxn:5:188957:223002:225943,CC(C)COc1cc(-c2ccc(C(=O)N3CCOCC3)s2)ncc1-c1ccc(C2CCNCC2)cc1F,XFBHTRYXIBHKSU-UHFFFAOYSA-N
-rxn:5:188957:223004:225943,CC(C)COc1cc(-c2ccc(C(=O)N3CCOCC3)s2)ncc1-c1ccc(C2CCNCC2)c(F)c1,PYAZOISROZCEBD-UHFFFAOYSA-N
-rxn:5:188957:223006:225943,CC(C)COc1cc(-c2ccc(C(=O)N3CCOCC3)s2)ncc1-c1ccc(F)c(C2CCNCC2)c1,KDZKYYVQVGVLRE-UHFFFAOYSA-N
-rxn:5:188961:222996:225943,CC(C)COc1ncc(-c2ccc(F)cc2C2CCCNC2)cc1-c1ccc(C(=O)N2CCOCC2)s1,JKNNBEQCLRMUNK-UHFFFAOYSA-N
-rxn:5:189001:223130:225980,COC(=O)C1(c2nc(-c3cc(N4CCOCC4)ncc3F)ccc2-c2ccc(CN3CC(O)C3)cc2)CC1,MANGNXNIPVIRLW-UHFFFAOYSA-N
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-rxn:5:189001:225874:225980,COC(=O)C1(c2nc(-c3cc(N4CCOCC4)ncc3F)ccc2-c2ccc(F)c(N3CCOCC3)c2)CC1,NNRQFKRVQJJDOG-UHFFFAOYSA-N
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-rxn:5:189079:223062:226583,CCN(C)C(=O)c1ccc(-c2ccc(CN3CCOCC3)s2)c(-c2cnc(C3CCNCC3)cc2F)c1,CCDYWNJWHCWNDJ-UHFFFAOYSA-N
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-rxn:5:189079:226583:223065,CCN(C)C(=O)c1ccc(-c2ccc(N3CCNCC3)cc2F)c(-c2ccc(CN3CCOCC3)s2)c1,QAKJRGWTOICDIK-UHFFFAOYSA-N
-rxn:5:189210:225611:227086,COc1cc(N2CCCC2)ccc1-c1cccc(-c2ccnc(C3CCCC3)c2)c1C(=O)ON1C(=O)CCC1=O,HNPAFNPMUKNCHS-UHFFFAOYSA-N
-rxn:5:189211:225456:226440,CN1CCC(c2ccc(-c3cccc(C(=O)ON4C(=O)CCC4=O)c3-c3cc(F)nc(C4CCCC4)c3)cc2)CC1,BVUKLLLHTPTPDS-UHFFFAOYSA-N
-rxn:5:189211:226049:228816,Cc1nc(C)c(-c2c(C(=O)ON3C(=O)CCC3=O)cccc2-c2cc(F)c(OC(F)(F)F)c(F)c2)c(C)n1,SXCRJORTCGFLEU-UHFFFAOYSA-N
-rxn:5:189211:227365:227569,CCOc1cc(-c2cccc(C(=O)ON3C(=O)CCC3=O)c2-c2c(OC)ccc(F)c2OC)cc(C)c1F,JCTMCYYACYYYIP-UHFFFAOYSA-N
-rxn:5:189212:228794:223063,C[Si](C)(C)c1ccc(-c2cc(C(=O)ON3C(=O)CCC3=O)ccc2-c2cc(F)nc(C3CCNCC3)c2)s1,DPUIVEXSMOFKCP-UHFFFAOYSA-N
-rxn:5:189539:223189:225450,CC(C)N(C)C(=O)c1cccc(-c2ccc(NS(C)(=O)=O)cc2F)c1-c1ccc(C(=O)C2CCCC2)cc1,CXQGESIUEQIYEV-UHFFFAOYSA-N
-rxn:5:189664:225394:227052,CC(C)(C)Sc1ccc(-c2cc(-c3cc(C4CCC4)cc(C4CC4)c3)ccc2CC(=O)N2CCCC2)cc1,CEUHYIWXQNRHQN-UHFFFAOYSA-N
-rxn:5:189667:226049:227722,CC(C)(C)[S@](=O)/N=C/c1cc(-c2cccc(SC(F)(F)F)c2)cc(-c2cc(F)c(OC(F)(F)F)c(F)c2)c1,PNPONQZGYGJIGM-WCHGVPJDSA-N
-rxn:5:189667:226062:223183,CNS(=O)(=O)c1ccc(-c2cc(/C=N/[S@@](=O)C(C)(C)C)cc(-c3cc(C(C)C)cc(C(C)C)c3)c2)c(C)c1,PUNNQKNZPCYTQL-VHBRTDFFSA-N
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-rxn:5:189669:225407:227124,CC(C)(C)c1ccc(-c2cc(/C=N/S(=O)C(C)(C)C)ccc2-c2ccc(C3CCCCCC3)cc2)c(F)c1,MXYPKWLTDFVAEU-GOJREDGKSA-N
-rxn:5:189669:225499:226916,CC(C)(C)S(=O)/N=C/c1ccc(-c2ccc(C3CCCCC3)cc2F)c(-c2cccc(C3=CCCC3)c2)c1,OEWFYBJOBFEBHD-GOJREDGKSA-N
-rxn:5:189671:225453:226915,CC(C)(C)S(=O)/N=C/c1c(-c2ccc(C3CCCC3)cc2)cccc1-c1cccc(SC2CCCCC2)c1,FQBXPVSRLRCQKB-JWHWKPFMSA-N
-rxn:5:189671:226058:226069,CC(C)c1cccc(C(C)C)c1-c1cccc(-c2cccc(C3CCCCC3)c2)c1/C=N/S(=O)C(C)(C)C,ROLRMBHGZISAFT-GOJREDGKSA-N
-rxn:5:189672:226915:225451,CC(C)(C)S(=O)/N=C/c1cccc(-c2ccc(C3CCCC3)cc2)c1-c1ccc(SC2CCCCC2)cc1,JHICCQUANCIIDN-JWHWKPFMSA-N
-rxn:5:189674:226342:225803,COC(=O)c1c(C)cc(-c2cc(-c3ccnc(OC4CCOCC4)c3)ccc2/C=N/S(=O)C(C)(C)C)cc1C,ORZHTVUZJLXIIP-HNSNBQBZSA-N
-rxn:5:189718:225870:228706,CN(C)c1cc(-c2cc([N+](=O)[O-])c(OC3CCOCC3)cc2-c2cc(F)cc(N3CCOCC3)c2)ccn1,BPGYMHBZVYDMAQ-UHFFFAOYSA-N
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-rxn:5:189826:223064:227907,CCC(C)c1cncc(-c2ccc(CC(=O)N3CCOCC3)c(-c3ccc(C4CCNCC4)nc3F)c2)c1,GGDZQKPUAPSHDC-UHFFFAOYSA-N
-rxn:5:189826:223294:223061,O=C(Cc1ccc(-c2cc(C3CCNCC3)ncc2F)cc1-c1csc(N2CCNCC2)n1)N1CCOCC1,WQPCFTNTZJEWJF-UHFFFAOYSA-N
-rxn:5:189826:223294:223062,O=C(Cc1ccc(-c2cnc(C3CCNCC3)cc2F)cc1-c1csc(N2CCNCC2)n1)N1CCOCC1,DPRFHBDKNGKFKX-UHFFFAOYSA-N
-rxn:5:189826:223294:226438,O=C(Cc1ccc(-c2cnc(C3CCCC3)cc2F)cc1-c1csc(N2CCNCC2)n1)N1CCOCC1,ZHJZTBNUQAWMFO-UHFFFAOYSA-N
-rxn:5:189826:223294:227077,CCC(C)c1ccc(-c2ccc(CC(=O)N3CCOCC3)c(-c3csc(N4CCNCC4)n3)c2)c(F)c1,FSHOZQAJYSJVCN-UHFFFAOYSA-N
-rxn:5:189826:223294:227408,O=C(Cc1ccc(-c2cc(C3CCC3)ncc2F)cc1-c1csc(N2CCNCC2)n1)N1CCOCC1,RCIPIFZLCOWNOR-UHFFFAOYSA-N
-rxn:5:189826:223294:227530,COC(=O)c1ccc(F)c(-c2ccc(CC(=O)N3CCOCC3)c(-c3csc(N4CCNCC4)n3)c2)c1,JPBGCGBOUGJTCJ-UHFFFAOYSA-N
-rxn:5:189826:226794:227702,COC(=O)c1cnc(F)c(-c2ccc(CC(=O)N3CCOCC3)c(-c3cnc(N4CCSCC4)nc3)c2)c1,CQXDJIHYWXADNW-UHFFFAOYSA-N
-rxn:5:189826:227077:223294,CCC(C)c1ccc(-c2cc(-c3csc(N4CCNCC4)n3)ccc2CC(=O)N2CCOCC2)c(F)c1,HUFPABWSPUABIW-UHFFFAOYSA-N
-rxn:5:189826:227704:223294,COc1cnc(C(F)F)cc1-c1cc(-c2csc(N3CCNCC3)n2)ccc1CC(=O)N1CCOCC1,XQOXGRNCJQFMDP-UHFFFAOYSA-N
-rxn:5:189826:227906:223064,CCC(C)c1ncccc1-c1cc(-c2ccc(C3CCNCC3)nc2F)ccc1CC(=O)N1CCOCC1,YINOPRURSXRPIK-UHFFFAOYSA-N
-rxn:5:189827:223007:223011,CC(C)Oc1cc2cn[nH]c2cc1-c1ccc(CC(=O)N2CCOCC2)cc1-c1cc(F)cc(C2CCNCC2)c1,FPTVVFGNCODURH-UHFFFAOYSA-N
-rxn:5:189827:223011:223007,CC(C)Oc1cc2cn[nH]c2cc1-c1cc(CC(=O)N2CCOCC2)ccc1-c1cc(F)cc(C2CCNCC2)c1,ZXWKTICLFJJKQA-UHFFFAOYSA-N
-rxn:5:189827:223011:223063,CC(C)Oc1cc2cn[nH]c2cc1-c1cc(CC(=O)N2CCOCC2)ccc1-c1cc(F)nc(C2CCNCC2)c1,UTCQXNLBXCSJRX-UHFFFAOYSA-N
-rxn:5:189827:223063:223011,CC(C)Oc1cc2cn[nH]c2cc1-c1ccc(CC(=O)N2CCOCC2)cc1-c1cc(F)nc(C2CCNCC2)c1,ACFJZZXEBUPOSX-UHFFFAOYSA-N
-rxn:5:189827:223063:227907,CCC(C)c1cncc(-c2ccc(CC(=O)N3CCOCC3)cc2-c2cc(F)nc(C3CCNCC3)c2)c1,PHZGCYSJLZZZIU-UHFFFAOYSA-N
-rxn:5:189827:223064:227907,CCC(C)c1cncc(-c2ccc(CC(=O)N3CCOCC3)cc2-c2ccc(C3CCNCC3)nc2F)c1,GOSSLIODDAOSDM-UHFFFAOYSA-N
-rxn:5:189827:223294:226769,COC(=O)c1cc(F)c(F)c(-c2ccc(CC(=O)N3CCOCC3)cc2-c2csc(N3CCNCC3)n2)c1,AKEVYQFNOKMGRI-UHFFFAOYSA-N
-rxn:5:189827:223344:225499,O=C1Cc2c(cccc2-c2cc(CC(=O)N3CCOCC3)ccc2-c2ccc(C3CCCCC3)cc2F)N1,FMUSOBOGDINWCE-UHFFFAOYSA-N
-rxn:5:189827:226769:223294,COC(=O)c1cc(F)c(F)c(-c2cc(CC(=O)N3CCOCC3)ccc2-c2csc(N3CCNCC3)n2)c1,PHIRLEYXPPTPQG-UHFFFAOYSA-N
-rxn:5:189827:226769:226794,COC(=O)c1cc(F)c(F)c(-c2cc(CC(=O)N3CCOCC3)ccc2-c2cnc(N3CCSCC3)nc2)c1,DNCQSLZWOABSMM-UHFFFAOYSA-N
-rxn:5:189827:226771:226794,COC(=O)c1cc(F)c(F)cc1-c1cc(CC(=O)N2CCOCC2)ccc1-c1cnc(N2CCSCC2)nc1,VNMPSOAAEVHUGW-UHFFFAOYSA-N
-rxn:5:189827:226794:226769,COC(=O)c1cc(F)c(F)c(-c2ccc(CC(=O)N3CCOCC3)cc2-c2cnc(N3CCSCC3)nc2)c1,NTMRBFQQWSIWRG-UHFFFAOYSA-N
-rxn:5:189827:226794:226771,COC(=O)c1cc(F)c(F)cc1-c1ccc(CC(=O)N2CCOCC2)cc1-c1cnc(N2CCSCC2)nc1,KJMZPBFFXXLDCP-UHFFFAOYSA-N
-rxn:5:189827:227907:223063,CCC(C)c1cncc(-c2cc(CC(=O)N3CCOCC3)ccc2-c2cc(F)nc(C3CCNCC3)c2)c1,TULOCRLIDSOTOH-UHFFFAOYSA-N
-rxn:5:189829:225451:227933,CCc1ccc(OC)cc1-c1cc(C(=O)N2CCCC2)cc(-c2ccc(SC3CCCCC3)cc2)c1OC,DBNIDRWJYXGDSB-UHFFFAOYSA-N
-rxn:5:189829:228678:225587,COc1c(-c2cccc(CN3CCOCC3)c2)cc(C(=O)N2CCCC2)cc1-c1ccnn1CC(C)C,QOVTVKDPAMVJQV-UHFFFAOYSA-N
-rxn:5:189952:225834:225834,COc1c(-c2cc(N3CCCCC3)ncc2F)cc(C(=O)N2CCOCC2)cc1-c1cc(N2CCCCC2)ncc1F,PREFYWPEIKHOSD-UHFFFAOYSA-N
-rxn:5:189952:227316:226645,COc1c(-c2cc(F)nc(CC(C)C)c2)cc(C(=O)N2CCOCC2)cc1-c1ccnc(N2CCOCC2)c1,UDDFGVZIQDHFRN-UHFFFAOYSA-N
-rxn:5:190000:223284:226062,CC(C)c1cc(-c2ccc(CC(=O)N3CCCCC3)c(-c3ccc(NS(C)(=O)=O)cc3)c2)cc(C(C)C)c1,AMEQUKNVHXEMGF-UHFFFAOYSA-N
-rxn:5:190000:225440:228005,CSc1cc(C)c(-c2ccc(CC(=O)N3CCCCC3)c(-c3ccc(C4(C#N)CCCC4)cc3)c2)cc1C,KHMGZISBTRPCMV-UHFFFAOYSA-N
-rxn:5:190000:227029:225451,CC(C)(C#N)c1ccccc1-c1cc(-c2ccc(SC3CCCCC3)cc2)ccc1CC(=O)N1CCCCC1,LTVWUZVDUKCJON-UHFFFAOYSA-N
-rxn:5:190000:227371:226150,COc1c(C)ccc(-c2cc(-c3cccc(SC4CCCC4)c3)ccc2CC(=O)N2CCCCC2)c1OC,HRPFPFUSXCHGGR-UHFFFAOYSA-N
-rxn:5:190000:227922:225451,CCc1cc(OC)ccc1-c1cc(-c2ccc(SC3CCCCC3)cc2)ccc1CC(=O)N1CCCCC1,DYOOGIXQPOQOFU-UHFFFAOYSA-N
-rxn:5:190000:227935:225437,CCc1cc(-c2cc(-c3cccc(CN4CCCCC4)c3)ccc2CC(=O)N2CCCCC2)ccc1OC,FOLWCXYVSUZWDX-UHFFFAOYSA-N
-rxn:5:190127:225453:228179,COCc1cc(F)cc(-c2ccc(-c3cccc(SC4CCCCC4)c3)cc2C(=O)N2CCC(OC)CC2)c1,XCNZXUUQIGCICA-UHFFFAOYSA-N
-rxn:5:190127:226190:227692,COc1c(-c2ccc(-c3ccc(C4CCCC4)cc3F)cc2C(=O)N2CCC(OC)CC2)cccc1[N+](=O)[O-],CBDAJVKJPOOODW-UHFFFAOYSA-N
-rxn:5:190127:227935:225499,CCc1cc(-c2ccc(-c3ccc(C4CCCCC4)cc3F)c(C(=O)N3CCC(OC)CC3)c2)ccc1OC,NPPKSWRYZHLHEF-UHFFFAOYSA-N
-rxn:5:190127:228177:225453,COCc1ccc(F)cc1-c1ccc(-c2cccc(SC3CCCCC3)c2)c(C(=O)N2CCC(OC)CC2)c1,NLKLYNJEFBIVDS-UHFFFAOYSA-N
-rxn:5:190128:226027:226341,COc1cc(F)c(C(C)C)cc1-c1cc(C(=O)N2CCC(OC)CC2)ccc1-c1ccc(F)c(S(=O)(=O)N(C)C)c1,CPNXCIBYKRFWOG-UHFFFAOYSA-N
-rxn:5:190128:227362:226186,CCOc1cc(C)cc(F)c1-c1ccc(C(=O)N2CCC(OC)CC2)cc1-c1ccccc1C1CCOCC1,WKIYBQYDOVDOPW-UHFFFAOYSA-N
-rxn:5:190131:223190:227926,CNS(=O)(=O)c1ccc(F)cc1-c1cc(C(=O)N2CCCCC2)cc(-c2ccc(SC(C)C)cc2)c1OC,NYYBETYLMCUISM-UHFFFAOYSA-N
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-rxn:5:190132:227047:227072,COc1cc(C2CC2)ccc1-c1cc(-c2cccc(SC3CCC3)c2)ccc1C(=O)N1CCC(OC)CC1,VTZKSVJZCOXFHS-UHFFFAOYSA-N
-rxn:5:190194:225440:227935,CCc1cc(-c2c(CN3CCC(OC)CC3)cccc2-c2ccc(C3(C#N)CCCC3)cc2)ccc1OC,URTHROQZQUKOGO-UHFFFAOYSA-N
-rxn:5:190194:225515:223061,COC1CCN(Cc2cccc(-c3cccc4c3OCC(C)(C)CO4)c2-c2cc(C3CCNCC3)ncc2F)CC1,ITLWOGFQGFTUDJ-UHFFFAOYSA-N
-rxn:5:190194:227568:225453,COc1cc(F)c(-c2cccc(CN3CCC(OC)CC3)c2-c2cccc(SC3CCCCC3)c2)c(OC)c1,UPUDDXADJUMZMH-UHFFFAOYSA-N
-rxn:5:190195:222417:225803,CC(C)c1[nH]c(=O)ncc1-c1ccc(CN(C)C2CCOCC2)cc1-c1ccnc(OC2CCOCC2)c1,XHRWLXYEOPTLKC-UHFFFAOYSA-N
-rxn:5:190199:222417:225881,CC(C)c1[nH]c(=O)ncc1-c1ccc(-c2ccc(C3CCOCC3)nc2F)cc1CN(C)C1CCOCC1,ACVFSBODGBEOIJ-UHFFFAOYSA-N
-rxn:5:190200:227061:225874,Cc1ccc(OC(C)C)cc1-c1cc(CN(C)C2CCOCC2)cc(-c2ccc(F)c(N3CCOCC3)c2)c1,LQAYKPFAYMJOAF-UHFFFAOYSA-N
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-rxn:5:190264:223112:223008,CC1CCN(C(=O)Cc2ccc(-c3cc(C4CCNCC4)ccc3F)c(-c3c(C(C)C)ccc4[nH]ncc34)c2)CC1,CWMLPJSROUUIPU-UHFFFAOYSA-N
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-rxn:5:190308:226059:223285,CC1CCCN(CCc2cc(-c3ccc(C(C)C)cc3C(C)C)ccc2-c2ccccc2NS(C)(=O)=O)C1,UBUJXCKLLHFDBK-UHFFFAOYSA-N
-rxn:5:190308:228189:222992,CCSc1ccc(F)c(-c2ccc(-c3ccc(N4CCCCC4O)cc3)c(CCN3CCCC(C)C3)c2)c1,UXHQKOPXFRIMOW-UHFFFAOYSA-N
-rxn:5:190309:226794:227702,COC(=O)c1cnc(F)c(-c2ccc(-c3cnc(N4CCSCC4)nc3)cc2CCN2CCCCC2C)c1,GZBMJMRUOQAEER-UHFFFAOYSA-N
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-rxn:5:190335:225886:227076,CCC(C)c1ccc(F)c(-c2cc(C(=O)N3CCCCC3C)cc(-c3ccc4c(ccn4S(C)(=O)=O)c3)c2OC)c1,FCFCJJZOJAZCOL-UHFFFAOYSA-N
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-rxn:5:190336:227045:227942,CCc1ccc(-c2cc(C(=O)N3CCCC(C)C3)cc(-c3cccc(SC(C)(C)C)c3)c2OC)c(OC)c1,QVFVNQMPUYVVCQ-UHFFFAOYSA-N
-rxn:5:190336:227102:227933,CCc1ccc(OC)cc1-c1cc(C(=O)N2CCCC(C)C2)cc(-c2cc(C(C)(C)C)ccc2F)c1OC,ZLJYCROEYRRKFY-UHFFFAOYSA-N
-rxn:5:190459:228369:225872,Cc1ccc([N+](=O)[O-])cc1-c1ccccc1C(=O)N1CCSC(c2ccccc2-c2cc(F)c(F)c(N3CCCC3)c2)CC1,VLQLGUFPIYSAIA-UHFFFAOYSA-N
-rxn:5:190484:223138:227506,O=C(c1cccc(-c2ccnc(C3CCNCC3)c2)c1)N1CCC(c2ccccc2-c2cccc(/C=C/[N+](=O)[O-])c2)S(=O)(=O)CC1,DHCVXEBHXYFSRP-XSFVSMFZSA-N
-rxn:5:190484:223309:227094,CC(C)Nc1ccc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4cnccc4C4CCCC4)S(=O)(=O)CC3)c2)cc1,ACTHIDHMZGESBT-UHFFFAOYSA-N
-rxn:5:190484:225420:225453,CCOc1c(-c2cccc(C(=O)N3CCC(c4ccccc4-c4cccc(SC5CCCCC5)c4)S(=O)(=O)CC3)c2)ccc2ccccc12,NZGBSTAHPADJDX-UHFFFAOYSA-N
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-rxn:5:190484:227822:227409,Cc1cccc(C(C)C)c1-c1cccc(C(=O)N2CCC(c3ccccc3-c3cc(C(C)(C)C)ncc3F)S(=O)(=O)CC2)c1,MZRILHYYZJGOCZ-UHFFFAOYSA-N
-rxn:5:190484:227832:227094,Cc1cc(C2CC2)ccc1-c1cccc(C(=O)N2CCC(c3ccccc3-c3cnccc3C3CCCC3)S(=O)(=O)CC2)c1,DLDZHJLZGXXOPN-UHFFFAOYSA-N
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-rxn:5:190584:223063:223054,CCOC(=O)c1cc2c(-c3ccc(C(C)N4CCC(O)C4)s3)cc(-c3cc(F)nc(C4CCNCC4)c3)cc2[nH]1,OLPCGBGGCPGSAY-UHFFFAOYSA-N
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-rxn:5:190587:223054:223063,CCOC(=O)c1cc2c(-c3ccc(C(C)N4CCC(O)C4)s3)ccc(-c3cc(F)nc(C4CCNCC4)c3)c2[nH]1,TWJJUARGUQAQIL-UHFFFAOYSA-N
-rxn:5:190588:223063:223054,CCOC(=O)c1cc2c(-c3ccc(C(C)N4CCC(O)C4)s3)ccc(-c3cc(F)nc(C4CCNCC4)c3)c2[nH]1,TWJJUARGUQAQIL-UHFFFAOYSA-N
-rxn:5:190589:223054:223061,CCOC(=O)c1[nH]c2cccc(-c3cc(C4CCNCC4)ncc3F)c2c1-c1ccc(C(C)N2CCC(O)C2)s1,DFRMXGJTPJAOJT-UHFFFAOYSA-N
-rxn:5:190589:223054:225834,CCOC(=O)c1[nH]c2cccc(-c3cc(N4CCCCC4)ncc3F)c2c1-c1ccc(C(C)N2CCC(O)C2)s1,WKPULSMBUBJAPQ-UHFFFAOYSA-N
-rxn:5:190589:223054:225849,CCOC(=O)c1[nH]c2cccc(-c3cnc(N4CCCCC4)cc3F)c2c1-c1ccc(C(C)N2CCC(O)C2)s1,JLYNKUHHULABHZ-UHFFFAOYSA-N
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-rxn:5:190596:223054:225976,CCOC(=O)c1cc2cc(-c3ccnc(N4CCOCC4)c3F)cc(-c3ccc(C(C)N4CCC(O)C4)s3)c2[nH]1,GPXWVXCPYXHDNH-UHFFFAOYSA-N
-rxn:5:190596:223054:225982,CCOC(=O)c1cc2cc(-c3cnc(N4CCOCC4)cc3F)cc(-c3ccc(C(C)N4CCC(O)C4)s3)c2[nH]1,KZHGQVGJYGDHPY-UHFFFAOYSA-N
-rxn:5:190645:223061:225805,CCOC(=O)c1cnc2ccc(-c3cc(C4CCNCC4)ncc3F)cc2c1-c1ccc(C(C)N2CCOCC2)s1,BZVJXLXSWVRHHJ-UHFFFAOYSA-N
-rxn:5:190645:225805:223007,CCOC(=O)c1cnc2ccc(-c3ccc(C(C)N4CCOCC4)s3)cc2c1-c1cc(F)cc(C2CCNCC2)c1,NMACXMUOMQZADV-UHFFFAOYSA-N
-rxn:5:190645:225834:225607,CCOC(=O)c1cnc2ccc(-c3cc(N4CCCCC4)ncc3F)cc2c1-c1ccc(C(C)N2CCCCC2)s1,YCEXGOOWSUTICK-UHFFFAOYSA-N
-rxn:5:190646:223054:223058,CCOC(=O)c1cnc2c(-c3ccc(C(C)N4CCC(O)C4)s3)cccc2c1-c1cc(F)nc(C2CCCNC2)c1,ISJXYUDCLSRLDY-UHFFFAOYSA-N
-rxn:5:190646:223061:223054,CCOC(=O)c1cnc2c(-c3cc(C4CCNCC4)ncc3F)cccc2c1-c1ccc(C(C)N2CCC(O)C2)s1,DQMHLWYQJGOPQO-UHFFFAOYSA-N
-rxn:5:190646:225607:223061,CCOC(=O)c1cnc2c(-c3ccc(C(C)N4CCCCC4)s3)cccc2c1-c1cc(C2CCNCC2)ncc1F,CFMQTLPBRCMTTM-UHFFFAOYSA-N
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-rxn:5:190648:223054:222998,CCOC(=O)c1c(-c2ccc(C(C)N3CCC(O)C3)s2)nc2ccccc2c1-c1cc(F)cc(C2CCCNC2)c1,YBMQOYJWWVYCND-UHFFFAOYSA-N
-rxn:5:190648:223054:223058,CCOC(=O)c1c(-c2ccc(C(C)N3CCC(O)C3)s2)nc2ccccc2c1-c1cc(F)nc(C2CCCNC2)c1,ZWGXMTDBPCGUBY-UHFFFAOYSA-N
-rxn:5:190648:223054:223063,CCOC(=O)c1c(-c2ccc(C(C)N3CCC(O)C3)s2)nc2ccccc2c1-c1cc(F)nc(C2CCNCC2)c1,UPZREVIWQNXSFO-UHFFFAOYSA-N
-rxn:5:190649:225607:222996,CCOC(=O)c1cnc2cc(-c3ccc(C(C)N4CCCCC4)s3)ccc2c1-c1ccc(F)cc1C1CCCNC1,RORNVENMSSYACN-UHFFFAOYSA-N
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-rxn:5:190649:225805:223007,CCOC(=O)c1cnc2cc(-c3ccc(C(C)N4CCOCC4)s3)ccc2c1-c1cc(F)cc(C2CCNCC2)c1,XJNDOODYRKGRKZ-UHFFFAOYSA-N
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-rxn:5:190649:225834:225607,CCOC(=O)c1cnc2cc(-c3cc(N4CCCCC4)ncc3F)ccc2c1-c1ccc(C(C)N2CCCCC2)s1,CESUJGSDVSMIKP-UHFFFAOYSA-N
-rxn:5:190649:225849:225607,CCOC(=O)c1cnc2cc(-c3cnc(N4CCCCC4)cc3F)ccc2c1-c1ccc(C(C)N2CCCCC2)s1,FKTFPPONNXXRPT-UHFFFAOYSA-N
-rxn:5:190650:225607:223064,CCOC(=O)c1cnc2ccc(-c3ccc(C4CCNCC4)nc3F)cc2c1-c1ccc(C(C)N2CCCCC2)s1,KCMVPZPHISKZDX-UHFFFAOYSA-N
-rxn:5:190651:223054:223062,CCOC(=O)c1cc(-c2ccc(C(C)N3CCC(O)C3)s2)c2nccc(-c3cnc(C4CCNCC4)cc3F)c2c1,BHXAHFNUVHSAOX-UHFFFAOYSA-N
-rxn:5:190651:223054:223064,CCOC(=O)c1cc(-c2ccc(C(C)N3CCC(O)C3)s2)c2nccc(-c3ccc(C4CCNCC4)nc3F)c2c1,SJGINSRQKGVKLA-UHFFFAOYSA-N
-rxn:5:190651:223064:223054,CCOC(=O)c1cc(-c2ccc(C3CCNCC3)nc2F)c2nccc(-c3ccc(C(C)N4CCC(O)C4)s3)c2c1,LREDXRXXSLEBJV-UHFFFAOYSA-N
-rxn:5:190651:225607:225976,CCOC(=O)c1cc(-c2ccc(C(C)N3CCCCC3)s2)c2nccc(-c3ccnc(N4CCOCC4)c3F)c2c1,HYZPBLBBVMAYER-UHFFFAOYSA-N
-rxn:5:190651:225655:225607,CCOC(=O)c1cc(-c2cncc(N3CCC(C)CC3)c2)c2nccc(-c3ccc(C(C)N4CCCCC4)s3)c2c1,CLHTYKWWVGHJKF-UHFFFAOYSA-N
-rxn:5:190651:225976:225607,CCOC(=O)c1cc(-c2ccnc(N3CCOCC3)c2F)c2nccc(-c3ccc(C(C)N4CCCCC4)s3)c2c1,QLVSVAUVEUJNKG-UHFFFAOYSA-N
-rxn:5:190651:225976:225805,CCOC(=O)c1cc(-c2ccnc(N3CCOCC3)c2F)c2nccc(-c3ccc(C(C)N4CCOCC4)s3)c2c1,LLYSGUDCHRBYFI-UHFFFAOYSA-N
-rxn:5:190681:226041:225470,CC(=O)Oc1cn(C(C)=O)c2cc(-c3ccc(N4CCC(C)CC4)cc3)c(-c3c([N+](=O)[O-])cccc3C(F)(F)F)cc12,IHCZRVGLEOBRGK-UHFFFAOYSA-N
-rxn:5:190740:223061:225978,CCOC(=O)c1cnc2c(C)cc(-c3cc(C4CCNCC4)ncc3F)cc2c1-c1ccc(N2CCOCC2)nc1F,FYJJPZZQCJJDAV-UHFFFAOYSA-N
-rxn:5:190740:223063:225453,CCOC(=O)c1cnc2c(C)cc(-c3cc(F)nc(C4CCNCC4)c3)cc2c1-c1cccc(SC2CCCCC2)c1,AVNPZZLFKNOQPM-UHFFFAOYSA-N
-rxn:5:190740:223064:225453,CCOC(=O)c1cnc2c(C)cc(-c3ccc(C4CCNCC4)nc3F)cc2c1-c1cccc(SC2CCCCC2)c1,SILDDPAJVZUXCH-UHFFFAOYSA-N
-rxn:5:190740:225834:222994,CCOC(=O)c1cnc2c(C)cc(-c3cc(N4CCCCC4)ncc3F)cc2c1-c1cccc(N2CCC(O)CC2)c1,PEFXDUCHKAJCME-UHFFFAOYSA-N
-rxn:5:190740:225976:223061,CCOC(=O)c1cnc2c(C)cc(-c3ccnc(N4CCOCC4)c3F)cc2c1-c1cc(C2CCNCC2)ncc1F,YSWAXFFAZJZGHN-UHFFFAOYSA-N
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-rxn:5:190742:223061:225453,CCOC(=O)c1cnc2c(C)ccc(-c3cc(C4CCNCC4)ncc3F)c2c1-c1cccc(SC2CCCCC2)c1,HKXXXPKHXGVTQH-UHFFFAOYSA-N
-rxn:5:190742:223062:223056,CCOC(=O)c1cnc2c(C)ccc(-c3cnc(C4CCNCC4)cc3F)c2c1-c1ccc(N2CCC(O)CC2)nc1,JOEXDZURUFTARD-UHFFFAOYSA-N
-rxn:5:190742:225636:225656,CCOC(=O)c1cnc2c(C)ccc(-c3ccnc(N4CCC(C)CC4)c3)c2c1-c1cncc(N2CCCCC2C)c1,TZFDVWQGNZRSCA-UHFFFAOYSA-N
-rxn:5:190742:225976:225598,CCOC(=O)c1cnc2c(C)ccc(-c3ccnc(N4CCOCC4)c3F)c2c1-c1cccc(CN2CCSCC2)c1,MJTRMJVKLBKFCD-UHFFFAOYSA-N
-rxn:5:190742:226662:225980,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(N4CCN(C)CC4)s3)c2c1-c1cc(N2CCOCC2)ncc1F,SQNAERCXUDGDSO-UHFFFAOYSA-N
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-rxn:5:190743:223061:223056,CCOC(=O)c1cnc2c(C)c(-c3cc(C4CCNCC4)ncc3F)ccc2c1-c1ccc(N2CCC(O)CC2)nc1,ATMZHDJJICBAJT-UHFFFAOYSA-N
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-rxn:5:190743:223064:225639,CCOC(=O)c1cnc2c(C)c(-c3ccc(C4CCNCC4)nc3F)ccc2c1-c1cccnc1N1CCC(C)CC1,AAULKSAMHCEELJ-UHFFFAOYSA-N
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-rxn:5:190744:225655:225671,CCOC(=O)c1cnc2c(-c3cncc(N4CCC(C)CC4)c3)c(C)ccc2c1-c1cc(C2CCCCC2)ncc1F,XYOLYIWARCUAMT-UHFFFAOYSA-N
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-rxn:5:190744:225881:225976,CCOC(=O)c1cnc2c(-c3ccc(C4CCOCC4)nc3F)c(C)ccc2c1-c1ccnc(N2CCOCC2)c1F,ZDCGYRQOSWMQLE-UHFFFAOYSA-N
-rxn:5:190744:225978:225833,CCOC(=O)c1cnc2c(-c3ccc(N4CCOCC4)nc3F)c(C)ccc2c1-c1ccnc(N2CCCCC2)c1F,XARYNNFNWDJSOO-UHFFFAOYSA-N
-rxn:5:190799:226058:225450,CC(C)c1cccc(C(C)C)c1-c1c(-c2ccc(C(=O)C3CCCC3)cc2)ccc2c1ccn2C(=O)OC(C)(C)C,GKSVVSGUHDOTFH-UHFFFAOYSA-N
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-rxn:5:190832:225674:225655,CCOC(=O)c1cnc2cc(C)c(-c3cnc(C4CCCCC4)cc3F)c(C)c2c1-c1cncc(N2CCC(C)CC2)c1,CUJSDIZUIFPAOO-UHFFFAOYSA-N
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-rxn:5:190859:226150:227918,CC(C)(C)OC(=O)N1CCc2c1ccc(-c1cccc(SC3CCCC3)c1)c2-c1ccc(SC2CC2)cc1,XMUYJQQXRQHTQO-UHFFFAOYSA-N
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-rxn:5:190998:225982:227387,COC(=O)c1cc(-c2ccnc(N3CCCC3)c2)ccc1N1Cc2cc(-c3cnc(N4CCOCC4)cc3F)ccc2OCC1=O,VSMQKVWLAZDKGM-UHFFFAOYSA-N
-rxn:5:190998:227379:225833,COC(=O)c1cc(-c2ccnc(N3CCCCC3)c2F)ccc1N1Cc2cc(-c3cccnc3N3CCCC3)ccc2OCC1=O,JXLPBBLRALOWRI-UHFFFAOYSA-N
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-rxn:5:193226:227316:225976,CC(C)Cc1cc(-c2ccc(C(=O)N3CCOCC3)cc2-c2ccnc(N3CCOCC3)c2F)cc(F)n1,ULYIZWDOWFFEAM-UHFFFAOYSA-N
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-rxn:5:193230:223065:226645,O=C(c1ccc(-c2ccc(N3CCNCC3)cc2F)cc1-c1ccnc(N2CCOCC2)c1)N1CCOCC1,NBJHEKPVCIYZAZ-UHFFFAOYSA-N
-rxn:5:193230:226571:227316,CC(C)Cc1cc(-c2cc(-c3cnn(CC4CCOCC4)c3)ccc2C(=O)N2CCOCC2)cc(F)n1,HNEVDNFMFMMHMV-UHFFFAOYSA-N
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-rxn:5:193331:226395:225982,Fc1cc(N2CCOCC2)ncc1-c1cc(-c2cncc(N3CCCCC3)c2)ccc1CN1CCOCC1,HALNWSULMKGUNO-UHFFFAOYSA-N
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-rxn:5:193333:226686:223186,Cc1cnn(C2CCCCO2)c1-c1ccc(CN2CCOCC2)cc1-c1cnn(C2CCCCO2)c1,QGXHPHQNGZFAKJ-UHFFFAOYSA-N
-rxn:5:193337:223146:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(-c2cccc(C3CNCCO3)c2)cc1CN1CCOCC1,CZTVMVFBWZSYFV-UHFFFAOYSA-N
-rxn:5:193382:222959:225985,Cc1cc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3cccc(N4CCCS4(=O)=O)c3)c2)ccc1C1CCNCC1,HSGUICKANQTVQQ-UHFFFAOYSA-N
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-rxn:5:193382:223058:223134,O=S(=O)(c1ccc(-c2cc(F)nc(C3CCCNC3)c2)cc1-c1cnccc1C1CCCNC1)N1CCOCC1,OHISKBKQXGMWPT-UHFFFAOYSA-N
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-rxn:5:193382:223240:223063,O=S(=O)(c1ccc(-c2ccc(C3CCNC3)nc2)cc1-c1cc(F)nc(C2CCNCC2)c1)N1CCOCC1,YPSDRZHIMLTMDI-UHFFFAOYSA-N
-rxn:5:193382:225803:223061,O=S(=O)(c1ccc(-c2ccnc(OC3CCOCC3)c2)cc1-c1cc(C2CCNCC2)ncc1F)N1CCOCC1,CHUHVSXGOGCDSH-UHFFFAOYSA-N
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-rxn:5:193382:225874:225880,O=S(=O)(c1ccc(-c2ccc(F)c(N3CCOCC3)c2)cc1-c1cc(C2CCOCC2)ncc1F)N1CCOCC1,LZNWVUCQESVRCT-UHFFFAOYSA-N
-rxn:5:193382:225880:227387,O=S(=O)(c1ccc(-c2cc(C3CCOCC3)ncc2F)cc1-c1ccnc(N2CCCC2)c1)N1CCOCC1,OOYAFIBJMMVNHX-UHFFFAOYSA-N
-rxn:5:193382:225881:223135,O=S(=O)(c1ccc(-c2ccc(C3CCOCC3)nc2F)cc1-c1cccnc1C1CCCNC1)N1CCOCC1,NTCIMNXSMSUXHF-UHFFFAOYSA-N
-rxn:5:193382:226366:225833,O=S(=O)(c1ccc(-c2ccnc(N3CCCCC3)c2)cc1-c1ccnc(N2CCCCC2)c1F)N1CCOCC1,YZTSZOWJCDVALS-UHFFFAOYSA-N
-rxn:5:193382:226447:222996,O=S(=O)(c1ccc(-c2ccnc(C3CCOCC3)c2)cc1-c1ccc(F)cc1C1CCCNC1)N1CCOCC1,JWRMBUFDBRQBAQ-UHFFFAOYSA-N
-rxn:5:193382:227958:225684,Cc1nc(C2CCOCC2)ccc1-c1cc(-c2ccnc(C3CCC3)c2)ccc1S(=O)(=O)N1CCOCC1,SRMMYRVAEIGPLH-UHFFFAOYSA-N
-rxn:5:193460:226768:223189,CSc1ccc(-c2cccc(C(=O)N3CCCCC3)c2-c2ccc(NS(C)(=O)=O)cc2F)cc1C(F)(F)F,UWKOSRUBMULNCY-UHFFFAOYSA-N
-rxn:5:193462:225498:227588,COc1cc(F)cc(OC)c1-c1ccc(-c2cc(C3CCCCC3)ccc2F)cc1CN1CCC(=O)CC1,ZLZWWYPXCIIPAO-UHFFFAOYSA-N
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-rxn:5:193463:225453:227045,CC(C)(C)Sc1cccc(-c2cc(-c3cccc(SC4CCCCC4)c3)ccc2CN2CCC(=O)CC2)c1,PGSXOBXNKVYHSI-UHFFFAOYSA-N
-rxn:5:193464:226190:226145,N#CC1(c2ccc(-c3ccc(C4CCCC4)cc3F)cc2-c2ccc(OC3CCCC3)cc2)CCCCC1,USKAFFCDTCZWPZ-UHFFFAOYSA-N
-rxn:5:193467:226761:225436,CSc1ccc(-c2ccc(-c3ccc(CN4CCCCC4)cc3)cc2C(=O)N2CCC[C@@H]2C)c(C(F)(F)F)c1,VQJKRNRTQLLWNU-QFIPXVFZSA-N
-rxn:5:193506:223011:223294,CC(C)Oc1cc2cn[nH]c2cc1-c1ccc(S(=O)(=O)N2CCC(=O)CC2)c(-c2csc(N3CCNCC3)n2)c1,STYSQBIIXSARAU-UHFFFAOYSA-N
-rxn:5:193506:223054:223135,CC(c1ccc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3cccnc3C3CCCNC3)c2)s1)N1CCC(O)C1,PYMYJQONMGVFPY-UHFFFAOYSA-N
-rxn:5:193506:223139:222420,NS(=O)(=O)c1ccccc1-c1cc(-c2ccc(C3CCNCC3)nc2)ccc1S(=O)(=O)N1CCC(=O)CC1,ODWPIWMJPLBFTL-UHFFFAOYSA-N
-rxn:5:193506:226042:225592,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3C(F)(F)F)cc2-c2cc(F)ccc2CN2CCCC2)CC1,JXTZIQNXJGSVFS-UHFFFAOYSA-N
-rxn:5:193506:227437:227507,O=C1CCN(S(=O)(=O)c2ccc(-c3ccnc(C4CCCO4)c3)cc2-c2cccc(C=C[N+](=O)[O-])c2)CC1,RHUARSVIYTUPQC-UHFFFAOYSA-N
-rxn:5:193506:227517:223295,CS(=O)(=O)Nc1cncc(-c2cc(-c3ccc(OC4COC4)nc3)ccc2S(=O)(=O)N2CCC(=O)CC2)c1,OBCNSYGUNQPZOZ-UHFFFAOYSA-N
-rxn:5:193506:227656:227279,CC(C)n1nc(C2CC2)cc1-c1cc(-c2cc(N3CCOCC3)cs2)ccc1S(=O)(=O)N1CCC(=O)CC1,XRMJTLSMUHVKKH-UHFFFAOYSA-N
-rxn:5:193506:227684:223289,CNS(=O)(=O)c1ccccc1-c1cc(-c2cnn(CC3OCCO3)c2)ccc1S(=O)(=O)N1CCC(=O)CC1,TUOWUJAJINULSQ-UHFFFAOYSA-N
-rxn:5:193538:223186:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(CN2CCCCC2)cc1-c1cnn(C2CCCCO2)c1,GNXVCPVRQGRYCC-UHFFFAOYSA-N
-rxn:5:193598:225849:223011,CC(C)Oc1cc2cn[nH]c2cc1-c1ccc(-c2cnc(N3CCCCC3)cc2F)cc1C(=O)N1CCOC(C)C1,XDZHYNMKPYMEBX-UHFFFAOYSA-N
-rxn:5:193598:226590:225834,CC1CN(C(=O)c2cc(-c3ccc(OC4CCOC4)nc3)ccc2-c2cc(N3CCCCC3)ncc2F)CCO1,AIGMWZGHNNTYTL-UHFFFAOYSA-N
-rxn:5:193598:227338:225674,CC(C)Oc1ccc(F)c(-c2ccc(-c3cnc(C4CCCCC4)cc3F)c(C(=O)N3CCOC(C)C3)c2)c1,NIZFODFTDBJSKT-UHFFFAOYSA-N
-rxn:5:193710:225435:225593,O=C1C(=Cc2ccc(-c3cc(F)cc(CN4CCCC4)c3)cc2)SC(=S)N1c1cccc(-c2ccccc2CN2CCCCC2)c1,BNAGUJBARFFMDB-UHFFFAOYSA-N
-rxn:5:193748:225407:225886,CC1CCCN(C(=O)c2cc(-c3ccc(C4CCCCCC4)cc3)ccc2-c2ccc3c(ccn3S(C)(=O)=O)c2)C1,PFIHVEVNFJLAFD-UHFFFAOYSA-N
-rxn:5:193748:226061:223285,CC1CCCN(C(=O)c2cc(-c3cc(C(C)C)cc(C4CC4)c3)ccc2-c2ccccc2NS(C)(=O)=O)C1,MAJHHVNYJWASMT-UHFFFAOYSA-N
-rxn:5:193748:226062:227052,CC1CCCN(C(=O)c2cc(-c3cc(C(C)C)cc(C(C)C)c3)ccc2-c2ccc(SC(C)(C)C)cc2)C1,WSNDVFIRTVVIJV-UHFFFAOYSA-N
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-rxn:5:193750:227052:226068,Cc1cc(C(C)(C)C)cc(C)c1-c1ccc(-c2ccc(SC(C)(C)C)cc2)cc1C(=O)N1CCC(C)CC1,QETUQGGGKCRGHH-UHFFFAOYSA-N
-rxn:5:193753:225470:225886,CC1CCN(c2ccc(-c3cc(C(=O)N4CCCCC4C)cc(-c4ccc5c(ccn5S(C)(=O)=O)c4)c3)cc2)CC1,FAEXGNHUWLNPLR-UHFFFAOYSA-N
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-rxn:5:193755:227052:223189,CC1CCCN(C(=O)c2cccc(-c3ccc(SC(C)(C)C)cc3)c2-c2ccc(NS(C)(=O)=O)cc2F)C1,MTTYZASIQHWITB-UHFFFAOYSA-N
-rxn:5:193756:223189:227045,CC1CCCCN1C(=O)c1ccc(-c2ccc(NS(C)(=O)=O)cc2F)cc1-c1cccc(SC(C)(C)C)c1,SXTOTGPJIFGXFI-UHFFFAOYSA-N
-rxn:5:193756:225591:227086,CC1CCCCN1C(=O)c1ccc(-c2cc(CN3CCCC3)ccc2F)cc1-c1ccnc(C2CCCC2)c1,LYWLTKOLWHAHJX-UHFFFAOYSA-N
-rxn:5:193756:225591:228323,CCOc1nccc(-c2cc(-c3cc(CN4CCCC4)ccc3F)ccc2C(=O)N2CCCCC2C)c1F,KLZJIQUDDFODNR-UHFFFAOYSA-N
-rxn:5:193756:225613:225605,Cc1cnc(OC2CCCC2)c(-c2cc(-c3ccnc(OC4CCCCC4)c3)ccc2C(=O)N2CCCCC2C)c1,KFIPKKIKNZWZFF-UHFFFAOYSA-N
-rxn:5:193756:225653:225600,CC1CCCCN1C(=O)c1ccc(-c2ccc(N3CCCCC3C)nc2)cc1-c1cccnc1OC1CCCCC1,SUDUUUSNULBAGM-UHFFFAOYSA-N
-rxn:5:193756:226374:225808,CC1CCCCN1C(=O)c1ccc(-c2cncnc2C2CCCCC2)cc1-c1cc(OC2CCCC2)ncc1F,QVVOKHKMYRHFHX-UHFFFAOYSA-N
-rxn:5:193756:226679:225613,CC1CCCCN1C(=O)c1ccc(-c2cnc(N3CCCC3)cc2F)cc1-c1ccnc(OC2CCCCC2)c1,BFVHBFZJSWBZBY-UHFFFAOYSA-N
-rxn:5:193756:226679:225940,CC1CCCCN1C(=O)c1ccc(-c2cnc(N3CCCC3)cc2F)cc1-c1cc(C(F)(F)F)cnc1C1CC1,YFDQCPZUSYCKOT-UHFFFAOYSA-N
-rxn:5:193756:226747:225640,CCc1ncc(-c2ccc(C(=O)N3CCCCC3C)c(-c3ccnc(N4CCCCC4C)c3)c2)cc1C(F)(F)F,VRMDUSWFEQBYST-UHFFFAOYSA-N
-rxn:5:193756:226842:225600,CC1CCCCN1C(=O)c1ccc(-c2cncc(C(=O)C(F)(F)F)c2)cc1-c1cccnc1OC1CCCCC1,SDCMGQWVGIYGFT-UHFFFAOYSA-N
-rxn:5:193756:226849:223136,COc1nccc(-c2ccc(C(=O)N3CCCCC3C)c(-c3ccncc3C3CCCNC3)c2)c1C(F)(F)F,DAZGHTNJMSPZHZ-UHFFFAOYSA-N
-rxn:5:193756:227377:225605,Cc1cnc(OC2CCCC2)c(-c2cc(-c3cncnc3C3CCCC3)ccc2C(=O)N2CCCCC2C)c1,PALLOAFXHHUCOJ-UHFFFAOYSA-N
-rxn:5:193756:227387:226779,CC1CCCCN1C(=O)c1ccc(-c2ccnc(N3CCCC3)c2)cc1-c1ccc(C(=O)C(F)(F)F)cc1,QBHDOOHUZLPTMR-UHFFFAOYSA-N
-rxn:5:193808:226176:227390,CC1CCN(Cc2cc(-c3ccncc3C3CCCCC3)ccc2-c2ccnn2C2CCCCC2)CC1,WLXFCFZLNPDPJI-UHFFFAOYSA-N
-rxn:5:193809:225601:223285,CC1CCN(Cc2ccc(-c3ccc(C4(C#N)CCC4)cc3F)cc2-c2ccccc2NS(C)(=O)=O)CC1,KPSDNYRNYHXXRV-UHFFFAOYSA-N
-rxn:5:193866:225886:225946,CC(=O)c1cc(-c2cc(C3(N4CCC(=O)CC4)CC3)ccc2-c2ccc3c(ccn3S(C)(=O)=O)c2)cc(C(F)(F)F)c1,VHGSACORHRKIBJ-UHFFFAOYSA-N
-rxn:5:193866:227047:227592,COc1cc(F)cc(-c2cc(C3(N4CCC(=O)CC4)CC3)ccc2-c2cccc(SC3CCC3)c2)c1OC,HPAXSSQHHRGIOQ-UHFFFAOYSA-N
-rxn:5:193867:225436:228620,CSc1ccc(-c2cc(-c3ccc(CN4CCCCC4)cc3)cc(C3(N4CCC(=O)CC4)CC3)c2)cc1C,AREKDHFESXVGFD-UHFFFAOYSA-N
-rxn:5:193867:225886:226608,CC(C)Oc1c(-c2cc(-c3ccc4c(ccn4S(C)(=O)=O)c3)cc(C3(N4CCC(=O)CC4)CC3)c2)ccc(F)c1F,IXKDJVDHFARHQL-UHFFFAOYSA-N
-rxn:5:193867:226907:227569,COc1ccc(F)c(OC)c1-c1cc(-c2cccc3c2CCC32CC2)cc(C2(N3CCC(=O)CC3)CC2)c1,NTIPKTWBEFXDLN-UHFFFAOYSA-N
-rxn:5:193869:228139:226880,COc1cc(C#N)cc(-c2cc(C)c(-c3cc(F)c(F)c(C(F)(F)F)c3)cc2S(=O)(=O)N2CCCCC2)c1,FBCLXCICSHCSBW-UHFFFAOYSA-N
-rxn:5:193870:222420:223138,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2ccnc(C3CCNCC3)c2)cc1-c1ccccc1S(N)(=O)=O,TUSFVUZEHQXUOH-UHFFFAOYSA-N
-rxn:5:193871:225886:226589,CC(C)c1cnc(C(F)F)cc1-c1ccc(C(=O)N2CCC3(CC2)CC3)cc1-c1ccc2c(ccn2S(C)(=O)=O)c1,WXOWALKEXAEMJV-UHFFFAOYSA-N
-rxn:5:193871:225940:225418,CCOc1ccc2cc(-c3ccc(C(=O)N4CCC5(CC4)CC5)cc3-c3cc(C(F)(F)F)cnc3C3CC3)ccc2c1,NZZMXIUTEBQRAS-UHFFFAOYSA-N
-rxn:5:193871:227081:225924,Cc1cc(S(=O)(=O)N(C)C)ccc1-c1ccc(C(=O)N2CCC3(CC2)CC3)cc1-c1ccc(N2CCCC2)cc1,KKDQAYJUOOFLMO-UHFFFAOYSA-N
-rxn:5:193871:227390:227124,CC(C)(C)c1ccc(-c2ccc(C(=O)N3CCC4(CC3)CC4)cc2-c2ccnn2C2CCCCC2)c(F)c1,CCAIVMIZBKZBBU-UHFFFAOYSA-N
-rxn:5:193871:228177:226215,COCc1ccc(F)cc1-c1cc(C(=O)N2CCC3(CC2)CC3)ccc1-c1ccc2c(c1)CC/C2=N\OC,PWFQVCXVLOIOPT-VBMGMRCRSA-N
-rxn:5:193872:223284:227102,CC(C)(C)c1ccc(F)c(-c2cc(C(=O)N3CCC4(CC3)CC4)ccc2-c2ccc(NS(C)(=O)=O)cc2)c1,LAKWZHMIVIPAHM-UHFFFAOYSA-N
-rxn:5:193872:223286:227124,CC(C)(C)c1ccc(-c2cc(C(=O)N3CCC4(CC3)CC4)ccc2-c2cccc(NS(C)(=O)=O)c2)c(F)c1,ZWVWZWUCPMAIHT-UHFFFAOYSA-N
-rxn:5:193872:226062:223286,CC(C)c1cc(-c2ccc(C(=O)N3CCC4(CC3)CC4)cc2-c2cccc(NS(C)(=O)=O)c2)cc(C(C)C)c1,UXQGUFVDHDXRTE-UHFFFAOYSA-N
-rxn:5:193872:226917:227052,Cc1cc(-c2ccc(C(=O)N3CCC4(CC3)CC4)cc2-c2ccc(SC(C)(C)C)cc2)cc(C(C)(C)C)c1,KVPKAOFKLLSAOD-UHFFFAOYSA-N
-rxn:5:193932:223063:226437,CC1CC(C)CN(C(=O)c2ccc(-c3cc(C4CCCC4)ncc3F)c(-c3cc(F)nc(C4CCNCC4)c3)c2)C1,VXURXNWNTACJST-UHFFFAOYSA-N
-rxn:5:193932:226058:227045,CC1CC(C)CN(C(=O)c2ccc(-c3cccc(SC(C)(C)C)c3)c(-c3c(C(C)C)cccc3C(C)C)c2)C1,FERYMGKBGKCYMD-UHFFFAOYSA-N
-rxn:5:193932:226179:225886,CC1CC(C)CN(C(=O)c2ccc(-c3ccc4c(ccn4S(C)(=O)=O)c3)c(-c3cncc(C4CCCCC4)c3)c2)C1,HHADBLQXSIKPEX-UHFFFAOYSA-N
-rxn:5:193972:227045:227971,Cc1cc(-c2cccc(SC(C)(C)C)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1cnccc1C(C)(C)C,CCPRETOKPVLFOY-UHFFFAOYSA-N
-rxn:5:193972:227591:228179,COCc1cc(F)cc(-c2cc(S(=O)(=O)N3CCCCCC3)c(-c3ccc(C(F)F)cc3OC)cc2C)c1,BTDDNBIJILZRLD-UHFFFAOYSA-N
-rxn:5:193972:227989:227591,CC#Cc1ccc(F)c(-c2cc(C)c(-c3ccc(C(F)F)cc3OC)cc2S(=O)(=O)N2CCCCCC2)c1,WIRKTHPTRCNORS-UHFFFAOYSA-N
-rxn:5:193972:228503:226059,Cc1cc(-c2ccc3c(c2)CCC3)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc(C(C)C)cc1C(C)C,HPCRDMOXPCTQBQ-UHFFFAOYSA-N
-rxn:5:194561:226135:226427,Cc1cc(C#N)c(C2CC2)cc1-c1ccc(-c2cc(N3CCC(C)CC3)cs2)c(C(=O)N2C3CCC2COC3)c1,CTNHCAJMGJGJHQ-UHFFFAOYSA-N
-rxn:5:194767:226645:227316,CC(C)Cc1cc(-c2ccc(-c3ccnc(N4CCOCC4)c3)cc2C(=O)N2CCCC3(C2)OC(=O)c2ccccc23)cc(F)n1,YTJSQWPMHRUUAK-UHFFFAOYSA-N
-rxn:5:194767:228881:226413,CC(=O)c1ncc(-c2ccc(-c3cccc(N4CCOCC4)c3)c(C(=O)N3CCCC4(C3)OC(=O)c3ccccc34)c2)cn1,FWJYBVKUVVZMFM-UHFFFAOYSA-N
-rxn:5:194782:227062:227205,CCOc1ccc(-c2ccc(-c3cccc4c3OCCCO4)c(C(=O)N3CCC4(CC3)CC(=O)c3ccccc3O4)c2)c(C)c1C,BPSBTYZTCGOCRP-UHFFFAOYSA-N
-rxn:5:194782:227078:227337,COc1ccc(C2CC2)c(-c2ccc(-c3cc(F)ccc3OC(C)C)c(C(=O)N3CCC4(CC3)CC(=O)c3ccccc3O4)c2)c1,MEAQWWRUYPBOTL-UHFFFAOYSA-N
-rxn:5:194786:226150:225407,CC1(C)CC(=O)c2cc(-c3ccc(-c4cccc(SC5CCCC5)c4)cc3)n(-c3ccc(-c4ccc(C5CCCCCC5)cc4)cc3)c2C1,JMJKWGIVFDAQJC-UHFFFAOYSA-N
-rxn:5:194791:225831:229102,Cc1cc(-c2ccccc2N2C(=O)C3C(c4ccc(-c5ccn(C)c(=O)c5)cc4)OC4(C(=O)c5ccccc5C4=O)C3C2=O)cnc1N1CCOCC1,ZILSNCNBUHUZJW-UHFFFAOYSA-N
-rxn:5:194791:225986:228509,CC(C)c1ccc(-c2ccc(C3OC4(C(=O)c5ccccc5C4=O)C4C(=O)N(c5ccccc5-c5ccccc5N5CCCS5(=O)=O)C(=O)C34)cc2)cc1,ZVRPNDKGQABQFK-UHFFFAOYSA-N
-rxn:5:194792:227978:227766,CCn1nc(C(F)(F)F)cc1-c1ccc(N2C(=O)C3C(c4ccc(-c5cc(C(C)C)ccc5F)cc4)OC4(C(=O)c5ccccc5C4=O)C3C2=O)cc1,UAKAWUTULHCGPC-UHFFFAOYSA-N
-rxn:5:196408:226062:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(C2=NOCCO2)c(-c2cc(C(C)C)cc(C(C)C)c2)c1,GTKIGNJZBVGVIP-UHFFFAOYSA-N
-rxn:5:196408:226652:225653,Cc1cc(-c2cc(-c3ccc(N4CCCCC4C)nc3)ccc2C2=NOCCO2)n(C2CCCCO2)n1,QAEUJDXSSLCADQ-UHFFFAOYSA-N
-rxn:5:196794:226588:226583,O=C1COCCN1c1cc(-c2cc(OC3CCC3)ncc2F)ccc1-c1ccc(CN2CCOCC2)s1,UMEHDYYJJHZYRW-UHFFFAOYSA-N
-rxn:5:196858:222956:225472,Cc1ccc(-c2cnc(C3CCOCC3)cc2-c2cccc(N3CCCCC3C)c2)c(C2CCCNC2)c1,HZCWEUWHWLKCAD-UHFFFAOYSA-N
-rxn:5:196858:225407:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(C2CCOCC2)ncc1-c1ccc(C2CCCCCC2)cc1,IVRGOOFRBSZOAL-UHFFFAOYSA-N
-rxn:5:196859:225832:226064,Cc1nn(C2CCCCO2)c(C)c1-c1c(C2CCOCC2)ccnc1-c1ccc(C2CCCCC2)cc1,ZBEPWBKYKFTJOG-UHFFFAOYSA-N
-rxn:5:196859:225832:227611,Cc1nn(C2CCCCO2)c(C)c1-c1c(C2CCOCC2)ccnc1-c1ccnn1C1CCCCO1,YDQQKVQFECAIGK-UHFFFAOYSA-N
-rxn:5:196859:226415:225832,Cc1nn(C2CCCCO2)c(C)c1-c1nccc(C2CCOCC2)c1-c1ccccc1N1CCOCC1,LNTDIHQTAMTWBD-UHFFFAOYSA-N
-rxn:5:196871:226197:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2ccc(C3CCCOC3)cc2)c(N2CCOCC2)c1,HETFOSQLIWMKGP-UHFFFAOYSA-N
-rxn:5:196872:225832:223138,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2ccnc(C3CCNCC3)c2)ccc1N1CCOCC1,JXBYFOLPBKNHKI-UHFFFAOYSA-N
-rxn:5:196872:225832:226432,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2ccc(C3CCCC3)nc2F)ccc1N1CCOCC1,YNCGYWXRBJHHSF-UHFFFAOYSA-N
-rxn:5:196969:225832:223142,Cc1nn(C2CCCCO2)c(C)c1-c1cnc(C2CCCCC2)cc1-c1ccc(C2CCCNC2)nc1,MCMNWSKTSBMOLJ-UHFFFAOYSA-N
-rxn:5:196970:225638:226686,Cc1cnn(C2CCCCO2)c1-c1nccc(C2CCCCC2)c1-c1ccc(N2CCC(C)CC2)nc1,FCWIBQYUCKRLTL-UHFFFAOYSA-N
-rxn:5:196971:225439:225661,Cc1cc(N2CCOCC2)ccc1-c1cc(-c2cccc(C(C)N3CCCC3)c2)ncc1C1CCCCC1,CUSFRVOPGXJMCA-UHFFFAOYSA-N
-rxn:5:196971:225832:226197,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2ccc(C3CCCOC3)cc2)c(C2CCCCC2)cn1,MWKLYALTAPVLPH-UHFFFAOYSA-N
-rxn:5:196977:225817:223105,CNS(=O)(=O)c1cc(-c2cc(N3CCCCC3)ccc2-c2ccc(C(F)(F)F)c(C3CC3)c2)c(F)cc1C,HZKPUOSBDJFFSA-UHFFFAOYSA-N
-rxn:5:196978:225438:222986,Cc1cc(-c2cc(-c3ccc(C(C)N4CCCC4)cc3)ccc2N2CCCCC2)cc(C2CCCNC2)n1,ILWIPRFOPVTWNX-UHFFFAOYSA-N
-rxn:5:197876:223288:227045,CNS(=O)(=O)c1cccc(-c2cc3c(cc2-c2cccc(SC(C)(C)C)c2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,DSRCLFMPSNZWOJ-UHFFFAOYSA-N
-rxn:5:197876:225498:227921,COC(C)c1cccc(-c2cc3c(cc2-c2cc(C4CCCCC4)ccc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,YZYQQDDGRKYDCM-UHFFFAOYSA-N
-rxn:5:197876:225499:227822,Cc1cccc(C(C)C)c1-c1cc2c(cc1-c1ccc(C3CCCCC3)cc1F)S(=O)(=O)N(C(C)(C)C)C2=O,QUUSVGWPKFHIEA-UHFFFAOYSA-N
-rxn:5:197876:225671:228603,CC(=O)c1cccc(-c2cc3c(cc2-c2cc(C4CCCCC4)ncc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,XBXNXJFCDLGSJD-UHFFFAOYSA-N
-rxn:5:197876:225677:229015,CC(C)c1sccc1-c1cc2c(cc1-c1ccc(C3CCCCC3)nc1F)S(=O)(=O)N(C(C)(C)C)C2=O,TYRPAHBNDQBTML-UHFFFAOYSA-N
-rxn:5:197876:226064:227926,CC(C)Sc1ccc(-c2cc3c(cc2-c2ccc(C4CCCCC4)cc2)S(=O)(=O)N(C(C)(C)C)C3=O)cc1,GZISKBVYPNVQFX-UHFFFAOYSA-N
-rxn:5:197876:226146:227926,CC(C)Sc1ccc(-c2cc3c(cc2-c2ccc(SC4CCCC4)cc2)S(=O)(=O)N(C(C)(C)C)C3=O)cc1,AJMOBJCZXVMGIN-UHFFFAOYSA-N
-rxn:5:197876:226190:228562,CCC(C)c1csc(-c2cc3c(cc2-c2ccc(C4CCCC4)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,AKFRVAGZOQBWMF-UHFFFAOYSA-N
-rxn:5:197876:226438:227937,CC(C)Sc1cccc(-c2cc3c(cc2-c2cnc(C4CCCC4)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,NJFHJTYCSKCCTM-UHFFFAOYSA-N
-rxn:5:197876:226579:226320,CN(C)C(=O)c1cc(F)cc(-c2cc3c(cc2-c2cc(C4(C#N)CC4)ccc2F)C(=O)N(C(C)(C)C)S3(=O)=O)c1,IYNCPQGFMLIZIW-UHFFFAOYSA-N
-rxn:5:197876:226761:227045,CSc1ccc(-c2cc3c(cc2-c2cccc(SC(C)(C)C)c2)C(=O)N(C(C)(C)C)S3(=O)=O)c(C(F)(F)F)c1,LOKYJSPVLMMDRR-UHFFFAOYSA-N
-rxn:5:197876:226915:227102,CC(C)(C)c1ccc(F)c(-c2cc3c(cc2-c2ccc(C4CCCC4)cc2)S(=O)(=O)N(C(C)(C)C)C3=O)c1,MKHSRXLBDAJTOK-UHFFFAOYSA-N
-rxn:5:197876:227065:226916,CC(C)C(=O)c1cccc(-c2cc3c(cc2-c2cccc(C4=CCCC4)c2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,RZYXBAKSFIHSLS-UHFFFAOYSA-N
-rxn:5:197876:227079:223288,CNS(=O)(=O)c1cccc(-c2cc3c(cc2-c2cc(CC(C)C)ccc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,AFUITNRZOQSVJK-UHFFFAOYSA-N
-rxn:5:197876:227108:227076,CCC(C)c1ccc(F)c(-c2cc3c(cc2-c2cc(C4CCC4)ccc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,UDYHAKMMDYBOJL-UHFFFAOYSA-N
-rxn:5:197876:227120:227412,CC(C)(C)c1cc(F)c(-c2cc3c(cc2-c2ccc(C4CCC4)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cn1,QWZYQWYHHGOVNV-UHFFFAOYSA-N
-rxn:5:197876:227315:227079,CC(C)Cc1ccc(F)c(-c2cc3c(cc2-c2cnc(CC(C)C)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,AXPHFCQNEWSMFU-UHFFFAOYSA-N
-rxn:5:197876:227589:226919,Cc1cc(OC(F)F)cc(-c2cc3c(cc2-c2cccc(C4CCCC4)c2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,BBQIOSHXJGCZHT-UHFFFAOYSA-N
-rxn:5:197876:227820:226150,CC(C)(C)c1ccc(-c2cc3c(cc2-c2cccc(SC4CCCC4)c2)C(=O)N(C(C)(C)C)S3(=O)=O)cc1,CDWMOYZAXPDEBX-UHFFFAOYSA-N
-rxn:5:197876:227937:226395,CC(C)Sc1cccc(-c2cc3c(cc2-c2cncc(N4CCCCC4)c2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,VWYTZRDDPKRQBV-UHFFFAOYSA-N
-rxn:5:197876:227939:226183,COC(C)c1ccccc1-c1cc2c(cc1-c1cnccc1C1CCCCC1)C(=O)N(C(C)(C)C)S2(=O)=O,XMWXWIKRBZCTTJ-UHFFFAOYSA-N
-rxn:5:197876:228021:225636,CC(=O)c1cc(C)cc(-c2cc3c(cc2-c2ccnc(N4CCC(C)CC4)c2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,BUTNIERQVNHTHC-UHFFFAOYSA-N
-rxn:5:197876:228561:225451,CSCc1cccc(-c2cc3c(cc2-c2ccc(SC4CCCCC4)cc2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,XLHPGNGFHKJUST-UHFFFAOYSA-N
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-rxn:5:197876:229052:225819,CCCn1nccc1-c1cc2c(cc1-c1cc(C(F)(F)F)ccc1C1CC1)C(=O)N(C(C)(C)C)S2(=O)=O,RPOZIWZWRHGKAF-UHFFFAOYSA-N
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-rxn:4:173577:224283,COc1ccc(-c2cnc(OC(C)(C)C)nc2OC(C)(C)C)cc1COC(=O)c1ccc(C(C)(C)C)cc1,REZVJJBPMFMXJR-UHFFFAOYSA-N
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-rxn:4:173802:224253,CC1CCCCN1C(=O)c1cc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)ccc1F,OXQKGBNHPZBJQW-UHFFFAOYSA-N
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-rxn:4:173904:223597,COC(=O)c1ccc(-c2ccc(OCCN3CCC4(CC3)OCCO4)c(Cl)c2)c(COC(C)=O)c1,LUCWAPCHDSUUJR-UHFFFAOYSA-N
-rxn:4:173910:223583,COC(=O)c1ccc2c(-c3ccc(C(C(=O)OC)C(=O)OC)cc3)cn(C(=O)OC(C)(C)C)c2c1,ZKGHBENBABQLQG-UHFFFAOYSA-N
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-rxn:4:174195:224172,CN(Cc1cccc(-c2cccc(C(=O)CC(=O)OC(C)(C)C)c2)c1)C(=O)OC(C)(C)C,NCXSQDUXAZRNRK-UHFFFAOYSA-N
-rxn:4:174304:224720,CC(C)OC(=O)C(C)(C)Oc1ccc(-c2cn(C(=O)OC(C)(C)C)nc2C2CC2)cc1,PODAJYWKQIAXNM-UHFFFAOYSA-N
-rxn:4:174375:224569,COC(=O)C(C)(C)c1cc(OC)c(OC)cc1-c1cc(F)cc(OCC2CCCCC2)c1,CPUKJDZBMMGCJB-UHFFFAOYSA-N
-rxn:4:174406:223846,COC(=O)C1(c2ccc(-c3cc(C)cc(C4CC5CCC4(C)C5(C)C)c3)cc2)CC(OC)(OC)C1,OBCMOFIEPYECMI-UHFFFAOYSA-N
-rxn:4:174428:223836,COc1ncnc2c1cc(-c1ccc(SC(C)(C)C(=O)OC(C)(C)C)cc1)n2C(=O)OC(C)(C)C,VLBBWUTVVLMVRI-UHFFFAOYSA-N
-rxn:4:174429:223866,CC(C)(C)OC(=O)C(C)(C)Oc1cccc(-c2ccccc2CN2C(C)(C)CCCC2(C)C)c1,KYZRBOUFPMJJED-UHFFFAOYSA-N
-rxn:4:174448:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2ccc(C(=O)CO[Si](C)(C)C(C)(C)C)cc2)cc1,ARFDAZSHIPNAJV-UHFFFAOYSA-N
-rxn:4:174514:224128,CC(C)[Si](Oc1cccc(-c2ccc(C(=O)N(C)C3CCCCC3)cc2)c1)(C(C)C)C(C)C,FMFFWGSXISTNGS-UHFFFAOYSA-N
-rxn:4:174515:222798,Cc1cc(S(=O)(=O)NC(C)(C)C)ccc1-c1ccc(O[Si](C(C)C)(C(C)C)C(C)C)cc1,XOJNDJLQGWONJA-UHFFFAOYSA-N
-rxn:4:174516:224716,CC(C)[Si](Oc1ccccc1-c1ccc(N(C)C(=O)OC(C)(C)C)nc1)(C(C)C)C(C)C,LPNPSSHEHVWWND-UHFFFAOYSA-N
-rxn:4:174526:222732,Cc1c(-c2ccc(C(=O)NC3CCCCC3)cc2)ccc(O[Si](C(C)C)(C(C)C)C(C)C)c1Cl,UXWMKWKEHJNGSL-UHFFFAOYSA-N
-rxn:4:174528:224864,COc1ccc(C)c(-c2c(C(C)C)cc(C(C)C)cc2C(C)C)c1-c1ccc(CN(C(C)C)C(C)C)cc1,NBUZXNCRZBOJEZ-UHFFFAOYSA-N
-rxn:4:174561:222880,COC(=O)C12CC(COc3ccc(-c4cc(Cl)ccc4NC(=O)C(C)(C)C)c(C)c3)(C1)C2,BXSDBQPZUBAJEC-UHFFFAOYSA-N
-rxn:4:174656:222909,CC(C)[Si](C#Cc1cccc2cccc(-c3ccnc(NC(=O)OC(C)(C)C)c3)c12)(C(C)C)C(C)C,CULVQAWODUVNLN-UHFFFAOYSA-N
-rxn:4:174656:223773,COc1cccc2cc(-c3cccc4cccc(C#C[Si](C(C)C)(C(C)C)C(C)C)c34)n(C(=O)OC(C)(C)C)c12,WHHSNYRIEBAAFL-UHFFFAOYSA-N
-rxn:4:174656:224647,CC(C)[Si](C#Cc1cccc2cccc(-c3cc(O[Si](C)(C)C(C)(C)C)ccc3F)c12)(C(C)C)C(C)C,PEQHFJKTBUCEQN-UHFFFAOYSA-N
-rxn:4:174656:224958,CC(C)[Si](C#Cc1cccc2cccc(-c3cccc(OCC4CCCCO4)c3)c12)(C(C)C)C(C)C,QUTZVQFWMYVQAX-UHFFFAOYSA-N
-rxn:4:174687:224759,O=C(c1cc(F)cc(-c2cccc(OC(F)(F)F)c2C(=O)C(F)(F)F)c1)N1CCOCC1,NTPYCXICWNFUSZ-UHFFFAOYSA-N
-rxn:4:174823:222389,CCOc1cc(OC(F)(F)F)cc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)c1,CTUYSYYRADHFJZ-UHFFFAOYSA-N
-rxn:4:174942:224008,CCOC(=O)c1cc(-c2cc(C(=O)N3CCOCC3)cc([N+](=O)[O-])c2)c(C(F)(F)F)cc1F,IMFCXMWNRKSXLZ-UHFFFAOYSA-N
-rxn:4:175092:223928,CC(C)(C)OC(=O)N1CCc2ncc(-c3ccc(S(C)(=O)=O)cc3OCC(F)(F)F)cc2C1,XBFWMPWVACLQQI-UHFFFAOYSA-N
-rxn:4:175099:224397,CCOc1c(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)cc2)cc(C(F)(F)F)cc1C(F)(F)F,VMYLOIGTKNBBDZ-UHFFFAOYSA-N
-rxn:4:175119:223559,CCOc1cc(COC)cc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)c1,KIIUVLCBWJORAZ-UHFFFAOYSA-N
-rxn:4:175146:223695,CCCOc1ccc(-c2cccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)c(OC)c1F,VPWDYUTZBSSNGR-UHFFFAOYSA-N
-rxn:4:175377:224484,CC(C)N(C(=O)c1ccccc1-c1ccc(C(C)(OS(C)(=O)=O)C(F)(F)F)cc1)C(C)C,PXWCZNVWYDRNLJ-UHFFFAOYSA-N
-rxn:4:175917:224420,COC(=O)c1cc(-c2cc3c(cc2C)C(C)(C)CCC3(C)C)c(OC2CCCCO2)cc1F,MRPQRQZDHOTYAN-UHFFFAOYSA-N
-rxn:4:175992:222716,COc1cc(-c2ccc(S(=O)(=O)NC3CCCC3)c(F)c2)cc(C2OCCO2)c1OC(C)C,SBUFTYHGQWWFPJ-UHFFFAOYSA-N
-rxn:4:176131:224189,COc1cc(-c2cc(SC(C)(C)C)cc(SC(C)(C)C)c2)ccc1O[Si](C)(C)C(C)(C)C,XLSAXTUJDHIBBB-UHFFFAOYSA-N
-rxn:4:176131:224328,CC1CCCCN1S(=O)(=O)c1cccc(-c2cc(SC(C)(C)C)cc(SC(C)(C)C)c2)c1,MHZMEWIZXQZSOS-UHFFFAOYSA-N
-rxn:4:176140:224742,COc1cc(OC)c(C2OCCO2)cc1-c1ccc(OCC2CCCCC2)c(C(C)(F)F)c1,CMFILOKOACMCGE-UHFFFAOYSA-N
-rxn:4:176168:222607,CC(C)[Si](c1c(F)cc(-c2ccc(NC3CCN(S(C)(=O)=O)CC3)cc2)cc1F)(C(C)C)C(C)C,HPFZWGIQRBBWGX-UHFFFAOYSA-N
-rxn:4:176239:224371,COC(=O)C1CCN(c2ncc(-c3ccc(OC)c(C=C4Oc5cc(OC(C)=O)ccc5C4=O)c3)cn2)CC1,QLLWSLHXINTYCO-UHFFFAOYSA-N
-rxn:4:176317:224961,CC(C)(C)[Si](C)(C)Oc1ccc(-c2ccc(OCC(F)(F)F)c(C34CC5CC(CC(C5)C3)C4)c2)cc1,KXMRFHMUAITRPF-UHFFFAOYSA-N
-rxn:4:176368:223576,CC(C)(C)OC(=O)N1CCC(Oc2cccc(-c3ccc(COC(F)(F)F)cc3)c2)CC1,LNZPOMUDUKMGME-UHFFFAOYSA-N
-rxn:4:176500:223679,CCN1CCN(S(=O)(=O)c2c(C)cc(-c3ccc(OC(F)(F)F)c(SC)c3)cc2C)CC1,YBZHVMZPGWBYLI-UHFFFAOYSA-N
-rxn:4:177435:223575,COc1cccc(-c2ccccc2CN2CCN(C(=O)OC(C)(C)C)CC2)c1OC(C)C,UGLCQOZOXWUNDI-UHFFFAOYSA-N
-rxn:4:177890:223490,COC(=O)c1ccc(-c2ccc(C)c(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1-c1ccccc1,ADQVKSXJOQRRFZ-UHFFFAOYSA-N
-rxn:4:178113:223562,CC(=O)c1cc(-c2ccc(CC3CCN(C(=O)OC(C)(C)C)CC3)cc2)ccc1SC(C)(C)C,XUZCTMMTDNCPEY-UHFFFAOYSA-N
-rxn:4:178285:223638,Cc1c(OCC2CCOCC2)cccc1-c1cccc(C2CCCN(C(=O)OC(C)(C)C)C2)c1,XTUDDBNKTNHEPK-UHFFFAOYSA-N
-rxn:4:178288:224834,COC(=O)C1(c2ccc(-c3cn(S(=O)(=O)N(C)C)nc3C(F)(F)F)cc2)CCC(=O)CC1,PPLKYZBHSPDLKB-UHFFFAOYSA-N
-rxn:4:178292:224498,CCN1CCN(Cc2ccccc2-c2cccc(C3(C(=O)OC)CCC(=O)CC3)c2)CC1,SPDOHIGCWWQXMC-UHFFFAOYSA-N
-rxn:4:178327:222646,COC(=O)C1(c2ccc(-c3c(C)cc(NC(=O)OC(C)(C)C)cc3C)cc2)CCCCC1,QOGNETQFOZDBNA-UHFFFAOYSA-N
-rxn:4:178381:223930,Cc1cc2c(cnn2C(=O)OC(C)(C)C)cc1-c1c(C(C)(C)C)cc(C(C)(C)C)cc1C(C)(C)C,PPOJJSDTMOJJFQ-UHFFFAOYSA-N
-rxn:4:178381:225328,CCCSc1ncc(C(F)(F)F)cc1-c1c(C(C)(C)C)cc(C(C)(C)C)cc1C(C)(C)C,OYEHUEIVBAXRLE-UHFFFAOYSA-N
-rxn:4:178382:222866,CC(C)(C)OC(=O)Nc1cccc(-c2cc(C(C)(C)C)c(C(C)(C)C)c(C(C)(C)C)c2)c1,FVHLGTJGTIWDHA-UHFFFAOYSA-N
-rxn:4:178384:225976,Fc1c(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)ccnc1N1CCOCC1,YNLHNMWFWZURDK-UHFFFAOYSA-N
-rxn:4:178384:226356,COc1cc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c(Cl)cc1C1CC1,IPTHWWXPZOQUEP-UHFFFAOYSA-N
-rxn:4:178384:228909,COc1cc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c(Cl)cn1,WVZGRZZTZATYBB-UHFFFAOYSA-N
-rxn:4:178384:229179,Fc1cnc(F)c(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c1,BEKPFWLSNWPSGE-UHFFFAOYSA-N
-rxn:4:178384:229182,Fc1cnc(Cl)c(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c1,FLTCGKRRLPDWCQ-UHFFFAOYSA-N
-rxn:4:178594:226519,COc1cc(-c2cc(Cl)c(OCC34CC5CC(CC(C5)C3)C4)cc2F)cc(OC)c1OC,QDFSFMFOKNQZFL-UHFFFAOYSA-N
-rxn:4:178597:224580,Cc1nccn1-c1ccc(C2CC2)c(-c2ccc(OC(=O)C3OC4OC(C)(C)OC4C4OC(C)(C)OC34)cc2)c1,UXXPPRVHYBDECY-UHFFFAOYSA-N
-rxn:4:178597:225564,COC(=O)C(C)(C)c1cccc(-c2ccc(OC(=O)C3OC4OC(C)(C)OC4C4OC(C)(C)OC34)cc2)c1,VLYYAHALODQSTD-UHFFFAOYSA-N
-rxn:4:178597:228099,CCN(C)c1cncc(-c2ccc(OC(=O)C3OC4OC(C)(C)OC4C4OC(C)(C)OC34)cc2)c1,DDUXOJSTALYESA-UHFFFAOYSA-N
-rxn:4:178703:223577,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3cc(F)cc(F)c3OC(F)(F)F)cc2)CC1,KJTYZUUDRFKJAB-UHFFFAOYSA-N
-rxn:4:178704:223608,O=S(=O)(c1cc(-c2cc(F)c(F)c(OC(F)(F)F)c2)ccc1OC(F)(F)F)N1CCOCC1,IMTYFNYBRREXOB-UHFFFAOYSA-N
-rxn:4:178931:223559,COC(=O)c1cc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)c(F)c(F)c1F,BDXUAZWXHCWAOV-UHFFFAOYSA-N
-rxn:4:180327:223526,Cc1ccccc1-c1cc(C(F)(F)F)ccc1-c1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1,DOJVBRMKFLCQFY-UHFFFAOYSA-N
-rxn:4:180480:223811,Cc1cc(-c2ccc(CN3CCC4(CC3)OCCO4)c(Cl)c2)cc(C)c1OC1CCCCO1,OEYBDWGNUISAJJ-UHFFFAOYSA-N
-rxn:4:180502:223712,COc1ccc(-c2cc(C3CC3)ccc2C2CCCCO2)cc1C12CC3CC(CC(C3)C1)C2,QAPIBHLTUWVJRF-UHFFFAOYSA-N
-rxn:4:180741:223525,CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(-c3ccccc3C(=O)c3ccc4c(c3)OCCO4)c2)CC1,GWIOSOIIEDAMIU-UHFFFAOYSA-N
-rxn:4:180792:224656,CCOC1CCC2(CC1)Cc1ccc(-c3ccc(OC)c(OC4CCCC4)c3F)cc1C2=O,WDLXIILGBMSMBP-UHFFFAOYSA-N
-rxn:4:180815:222856,COc1ccc(C2CCNCC2)cc1-c1ccc(OC)c(C23CC4CC(CC(C4)C2)C3)c1,LHPGRIWAQCPWOZ-UHFFFAOYSA-N
-rxn:4:180815:225124,COc1ccc(-c2ccnc(OCC3CCOCC3)c2)cc1C12CC3CC(CC(C3)C1)C2,INATUCFKIPJYJR-UHFFFAOYSA-N
-rxn:4:181016:223491,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cc(F)c(C(F)(F)F)cc3Cl)cc(C(F)(F)F)c2)CC1,NNMMCYJXYSMVDW-UHFFFAOYSA-N
-rxn:4:181469:223492,COc1cc(C)cc(-c2ccc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c(C)c2)c1F,KGOCMWAMJOJJOZ-UHFFFAOYSA-N
-rxn:4:181901:223595,Cc1cc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c(F)c2)cc(C)c1S(C)(=O)=O,NIZSSDWJTWPFBV-UHFFFAOYSA-N
-rxn:4:182324:223728,CCCCCC1CCC(c2ccc(-c3cc4c(c(C)c3OC)C(=O)CCC4)c(F)c2)CC1,STGDCIRNMSEAKZ-UHFFFAOYSA-N
-rxn:4:182372:224572,CO[C@H]1CC[C@]2(CC1)Cc1ccc(-c3ccc(N4CCCC(C)C4)cc3C#N)cc1C2=O,CNXUVBNDYVNHMI-ZPDIPWFZSA-N
-rxn:4:182376:224885,CO[C@H]1[C@H](C)C[C@@]2(Cc3ccc(-c4ccccc4CN4CCC(C)CC4)cc3C2=O)C[C@@H]1C,VYAXMGCIAWGPKK-FWROBWRPSA-N
-rxn:4:183272:223280,c1cc2c(cc1-c1cnc(C3CCNC3)nc1)OCCOCCOCCOCCOCCO2,DIJZHQKREPWZBP-UHFFFAOYSA-N
-rxn:4:183273:228362,Clc1ncc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c(C2CC2)n1,WYLFIDNRNDKDHP-UHFFFAOYSA-N
-rxn:4:183274:227613,c1cc2c(cc1-c1cnn(C3CCOCC3)c1)OCCOCCOCCOCCOCCOCCOCCO2,FBVJFDCDTBVQFY-UHFFFAOYSA-N
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-rxn:4:183379:224569,CC1(C)C=Cc2c3c(cc(-c4cc(F)cc(OCC5CCCCC5)c4)c2O1)C(=O)OC(C)(C)O3,NCBMDHRYTYXCPL-UHFFFAOYSA-N
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-rxn:4:183915:222835,CC(C)CC(=O)NCc1ccc(-c2cc(OC(F)(F)F)ccc2OCCN2CCC(C)CC2)cc1,ZMMAZXBKGLJCGW-UHFFFAOYSA-N
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-rxn:4:183957:226291,CC(C)COc1cc(F)cc(-c2cccc(OCC3CCN(C(=O)OC(C)(C)C)C3)c2)c1,SNSJQJCLGKGNNV-UHFFFAOYSA-N
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-rxn:4:183987:222729,CCCc1cc(-c2ccc(OC)c(C=NOC(=O)c3ccc(C(C)(C)C)cc3)c2)cc(C2CCCNC2)n1,FQQBVGRYONCDBY-UHFFFAOYSA-N
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-rxn:4:184096:227351,COC(=O)c1c(C)cccc1-c1ccc(CN(C(=O)OC(C)(C)C)C2CCC(C)(C)CC2)cc1,AGNJADCOTPQCNJ-UHFFFAOYSA-N
-rxn:4:184096:227830,CC1(C)CCC(N(Cc2ccc(-c3ccc(C4(C)CC4)cc3)cc2)C(=O)OC(C)(C)C)CC1,AERWTKZJMQWLLW-UHFFFAOYSA-N
-rxn:4:184097:226761,CSc1ccc(-c2ccc(C(=O)N(Cc3ccc(C(C)(C)C)cc3)C3CCS(=O)(=O)C3)cc2)c(C(F)(F)F)c1,SHVQMGCMSVLDHQ-UHFFFAOYSA-N
-rxn:4:184099:223609,CC(c1ccc(-c2cc3c(c4ccccc24)-c2ccccc2C3(C)C)cc1)N(C(=O)OC(C)(C)C)C1CCC(C)(C)CC1,ZEBVJQRQSNFIMV-UHFFFAOYSA-N
-rxn:4:184099:226082,COc1ccc2ccc(-c3ccc(C(C)N(C(=O)OC(C)(C)C)C4CCC(C)(C)CC4)cc3)cc2c1,RAXBSCQNZRYEAE-UHFFFAOYSA-N
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-rxn:4:184125:226470,CCOC(=O)CCc1cc(-c2cc(OCCCN3C(=O)c4ccccc4C3=O)cc(C(F)(F)F)c2)cs1,AQCOXADLGLTWFB-UHFFFAOYSA-N
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-rxn:4:184167:225747,Cc1ccc(-c2ccc3cc(CN(C(=O)OC(C)(C)C)C4CC4)ccc3c2)n1C(=O)OC(C)(C)C,DOAFCVAKDRFSEC-UHFFFAOYSA-N
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-rxn:4:184208:225571,COC(=O)c1ccc(-c2ccc(CN(C(=O)OC(C)(C)C)C3CCCC3)c3ccccc23)c(C2CC2)c1,VAAYNHMYNVCAFX-UHFFFAOYSA-N
-rxn:4:184216:223537,CC(C)(C)OC(=O)N1CCC(COc2cc(-c3cc4cc(OC(F)(F)F)ccc4n3C(=O)OC(C)(C)C)c3ccccc3c2)CC1,QIKORMCWDCJQNH-UHFFFAOYSA-N
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-rxn:4:184349:223728,CCCCCC1CCC(c2ccc(-c3c(C#N)cc(F)cc3CC(=O)OCC)c(F)c2)CC1,ZFCQUVPUHXGRRG-UHFFFAOYSA-N
-rxn:4:184393:223699,COC(=O)Cc1ccc(C#N)c(-c2ccc(S(=O)(=O)N3CCOCC3)cc2C(F)(F)F)c1C(F)F,VFAHBMUNQMUMAI-UHFFFAOYSA-N
-rxn:4:184408:222658,COC(=O)Cc1c(-c2cc(F)cc(C(=O)NC3CCCCC3)c2)ccc(C(F)F)c1C#N,FWTDZKBJUSOOKA-UHFFFAOYSA-N
-rxn:4:184486:223953,CCOC(=O)c1cc(C#N)c(C(F)(F)F)c(-c2cc(F)cc(N3CCN(CCOC)CC3)c2)c1,OMWZNYGWKQVNBB-UHFFFAOYSA-N
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-rxn:4:184781:223541,N#CC(CC(=O)c1ccc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC3(CC2)OCCO3)cc1)c1ccccc1,QFBGYUVIKGKNNZ-UHFFFAOYSA-N
-rxn:4:184920:223696,O=S(=O)(c1ccc(-c2cccc(CN3CCCC3)c2OCC(F)(F)F)cc1)N1CCC2(CC1)OCCO2,SGSCNBUPIZRSMJ-UHFFFAOYSA-N
-rxn:4:184974:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2nc(CCO[Si](C)(C)C(C)(C)C)cs2)cc1,MQTBJJCZANDFKB-UHFFFAOYSA-N
-rxn:4:184981:223832,COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1-c1ccccc1C(=O)OCCN1CCCCC1,RSHVRVZVHXBDAM-UHFFFAOYSA-N
-rxn:4:185001:223606,COc1ccc(CN(C)C(=O)c2cccc(-c3ccc(S(=O)(=O)N4CCC5(CC4)OCCO5)c(F)c3)c2)cc1,JMSAEOHCOYJBIF-UHFFFAOYSA-N
-rxn:4:185002:225324,CC(C)CCn1cc(-c2cccc(OCC(=O)N3CCCC(C(F)(F)F)C3)c2)c(C(F)(F)F)n1,LJUKPQHUWDMXAM-UHFFFAOYSA-N
-rxn:4:185012:224355,O=C(c1cccc(-c2ccc(N3CCC4(CC3)OCCO4)nc2)c1)N1CC(S(=O)(=O)Cc2ccco2)C1,QFXALEWWSRPZDZ-UHFFFAOYSA-N
-rxn:4:185022:222588,OC1CCN(CCOc2ccc(-c3cccc(F)c3OCCCN3CCCCC3)cc2F)CC1,RLIDPSUYDRYGIR-UHFFFAOYSA-N
-rxn:4:185023:222604,COc1ccc(-c2cc([N+](=O)[O-])ccc2OCCC2CCCCC2)cc1S(=O)(=O)NC1CCCC1,SSLIYKQNAVVXGT-UHFFFAOYSA-N
-rxn:4:185027:224485,CC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2cccc(SC3CN(C(=O)OC(C)(C)C)C3)c2)c1,UBFXFHPQHUXYSM-UHFFFAOYSA-N
-rxn:4:185052:224247,CC1CCN(C(=O)c2ccc(-c3cccc(OCC4CCN(CC(F)(F)F)CC4)c3)c(F)c2)CC1,ZJIDZUOMKSXBQJ-UHFFFAOYSA-N
-rxn:4:185056:223577,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3cccc(F)c3OCCCN3CCC(F)(F)CC3)cc2)CC1,RPPYDNGKNUNBMD-UHFFFAOYSA-N
-rxn:4:185063:224011,CN1CCN(S(=O)(=O)c2ccc(-c3cccc(C(=O)N4CC(COc5ccc(F)cc5)C4)c3)cc2F)CC1,GTILNFUODNVPIH-UHFFFAOYSA-N
-rxn:4:185087:222518,COc1ccc(-c2ccc(F)c3sc(NC(=O)OC(C)(C)C)nc23)c(C(=O)N(C(C)C)C(C)C)c1,VFCLZVYFYRLYAD-UHFFFAOYSA-N
-rxn:4:185116:224151,Cc1cc(-c2ccccc2S(=O)(=O)CC(=O)N2CCC(C(F)(F)F)CC2)cc(Cl)c1OCc1ccccc1,VIBCOTGXIDHPNJ-UHFFFAOYSA-N
-rxn:4:185118:225738,CCCCOc1cc(F)c(-c2cccc(S(=O)(=O)CC(=O)N3CCC(C(F)(F)F)CC3)c2)cc1F,HFKBBJLCLKEGOR-UHFFFAOYSA-N
-rxn:4:185145:222466,CCOC(=O)C1CCCN(S(=O)(=O)c2ccc(-c3cc(C4CCCCC4)nc(C4CCNCC4)c3)cc2)C1,OECANZAKXGXAAL-UHFFFAOYSA-N
-rxn:4:185147:224421,CC(C)CS(=O)(=O)C1CN(S(=O)(=O)c2ccccc2-c2c(C(C)C)cc(C(C)C)cc2C(C)C)C1,MGLRLZYPPCVKAI-UHFFFAOYSA-N
-rxn:4:185148:223569,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(F)c(-c3ccc(S(=O)(=O)C4CN(C(=O)OC(C)(C)C)C4)cc3)cnc21,VWSSANJKFIQJFY-UHFFFAOYSA-N
-rxn:4:185158:222575,COC(=O)c1cc(CN2CCC(C(F)(F)F)CC2)cc(-c2ccc(C(=O)Nc3ccc(C)cc3Cl)cc2)c1,IMNYXKPUQOLGSV-UHFFFAOYSA-N
-rxn:4:185162:224936,CC(C)(C)OC(=O)Cc1ccc(-c2ccc(C(F)(F)F)cc2C2CN(C(=O)OC(C)(C)C)C2)cc1,IVNZFTUAIJUSHL-UHFFFAOYSA-N
-rxn:4:185177:222810,CC(C)(C)OC(=O)Nc1cc(-c2ccc(CN(C(=O)c3ccc(Cl)cc3)C3CCS(=O)(=O)C3)o2)c(Cl)cn1,RUYWUHFMKKAHOZ-UHFFFAOYSA-N
-rxn:4:185196:224329,COc1ccc(C2CN(C(=O)OC(C)(C)C)C2)cc1-c1ccc(C(=O)N2CCC(=O)CC2)c(F)c1,OGQFNEUMGFOSRT-UHFFFAOYSA-N
-rxn:4:185198:225186,COC(=O)c1cc(-c2ccc(F)c(CN3CCSCC3)c2)ccc1CN1CCC(OC)CC1,WMEBQPBUQFZHEV-UHFFFAOYSA-N
-rxn:4:185246:226490,COCCOc1ccc(F)c(-c2cccc(CC3C(=O)CCN3C(=O)OC(C)(C)C)c2)c1,LPBUKQGUBHKTLH-UHFFFAOYSA-N
-rxn:4:185262:224761,CCN(C(=O)c1ccc(-c2cccc(S(=O)(=O)N3CCCCC3)c2)c(OC)c1)C1CCCCC1,NBDMTAQYRAUFPI-UHFFFAOYSA-N
-rxn:4:185272:225890,Cc1ccc(CN(C(=O)c2ccc(-c3cnn(COCC[Si](C)(C)C)c3)cc2)C2CCS(=O)(=O)C2)o1,LZLFMYLMUATVJR-UHFFFAOYSA-N
-rxn:4:185278:222716,O=C(c1cccc(-c2ccc(S(=O)(=O)NC3CCCC3)c(F)c2)c1)N1CCC(S(=O)(=O)Cc2ccco2)CC1,PRCLKYYGSHVMGF-UHFFFAOYSA-N
-rxn:4:185310:224799,CC(C)Oc1cc(OC(F)(F)F)cc(-c2ccc(SC3CCN(C(=O)OC(C)(C)C)CC3)cc2)c1,KIPQUMCSKMWOED-UHFFFAOYSA-N
-rxn:4:185322:226728,CC(C)(C)OC(=O)N1CCC(Oc2cc(-c3ccc(OCC(F)F)cc3F)ccc2Cl)CC1,YXQOJCQTVZXBPT-UHFFFAOYSA-N
-rxn:4:185338:225161,COc1ccc(-c2ccc(F)c(C(=O)N3CCCC3)c2)c(C(=O)N2CCC(Oc3cc(C)oc(=O)c3)C2)c1,LWFOFGNJRQAQCH-UHFFFAOYSA-N
-rxn:4:185347:226762,CCC1CCCCN1S(=O)(=O)c1cc(OC)c(-c2cc(SC)cc(C(F)(F)F)c2)cc1OC,XJNINLJFXFCFLB-UHFFFAOYSA-N
-rxn:4:185350:222518,CC(C)CS(=O)(=O)C1CCN(C(=O)c2cccc(-c3ccc(F)c4sc(NC(=O)OC(C)(C)C)nc34)c2)CC1,SXXFUKHGRWSDJB-UHFFFAOYSA-N
-rxn:4:185350:222778,CC(C)CS(=O)(=O)C1CCN(C(=O)c2cccc(-c3cncc(CNC(=O)OC(C)(C)C)c3)c2)CC1,NSCQLVMEBDKTRP-UHFFFAOYSA-N
-rxn:4:185350:224275,CC(C)CS(=O)(=O)C1CCN(C(=O)c2cccc(-c3nn(C(=O)OC(C)(C)C)c4ccccc34)c2)CC1,GCGYBZCLUUVQAU-UHFFFAOYSA-N
-rxn:4:185358:225532,CCN(CC)Cc1ccc(-c2cccc(C(=O)C3CCN(C(=O)OC(C)(C)C)CC3)c2F)c(F)c1,IPJYDOBYVBVUHA-UHFFFAOYSA-N
-rxn:4:185369:225894,CC(C)(C)SCC1CCCCN1C(=O)c1cccc(-c2cccc(COCC(F)(F)F)c2)c1,ZPYIHPVQPAZBJS-UHFFFAOYSA-N
-rxn:4:185375:223136,CC(C)CS(=O)(=O)C1CCN(S(=O)(=O)c2ccccc2-c2ccncc2C2CCCNC2)CC1,KFGXWHDGVJXUFE-UHFFFAOYSA-N
-rxn:4:185378:223278,CC(C)(C)OC(=O)N1CCC(S(=O)(=O)c2cccc(-c3cnn(C4CCNCC4)c3)c2)CC1,RUJDEQLCDAGGSF-UHFFFAOYSA-N
-rxn:4:185382:227481,COC(OC)c1cnccc1-c1ccc(C(F)(F)F)c(C2CCN(C(=O)OC(C)(C)C)CC2)c1,DZRURNUAPAQUGY-UHFFFAOYSA-N
-rxn:4:185386:222654,CC(C)(C)OC(=O)N1CCCC(c2ccc(C(F)(F)F)c(-c3ccc(Cl)c(C(=O)NC4CCCCC4)c3)c2)C1,KSYCKUXXFQHWPW-UHFFFAOYSA-N
-rxn:4:185409:227465,COCCOc1cncc(-c2cc(C3CC3)cc(C3CCN(C(=O)OC(C)(C)C)C3)c2)c1,LSNSLRVYBSGREY-UHFFFAOYSA-N
-rxn:4:185428:222408,CNC(=O)Nc1ccc(-c2cc(C(C)(C)C)ccc2OCC(=O)N2CCC(C)CC2)cc1C,QEZDEDMXSKKBHP-UHFFFAOYSA-N
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-rxn:4:187378:225278,COC(=O)c1ccc(C(=O)OC)c(-c2ccccc2S(=O)(=O)CC(=O)N2CCCC(C)C2)c1,FZRGNPLKPOPRLX-UHFFFAOYSA-N
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-rxn:4:187694:223917,Cc1c(S(C)(=O)=O)c(-c2cc(F)cc(-c3cc(F)cc(C(=O)N(C)C4CCCCC4)c3)c2)c(-c2ccc(Cl)cc2)n1C(C)C,ONOOCDBSIUUCNZ-UHFFFAOYSA-N
-rxn:4:187861:223809,CCC(C)n1cc(C)c2c(C(=O)OC)cc(-c3cc(N4CCOCC4)cc(N4CCOCC4)c3)cc21,SKCVQCDLOKJEGO-UHFFFAOYSA-N
-rxn:4:187947:223587,CCN(C(=O)c1cc2cc(-c3c(F)ccc(OCc4cc(OC)cc(OC)c4)c3F)ccc2oc1=O)C1CCCCC1,XQFXEQQPCDEWEV-UHFFFAOYSA-N
-rxn:4:187947:224421,CCN(C(=O)c1cc2cc(-c3c(C(C)C)cc(C(C)C)cc3C(C)C)ccc2oc1=O)C1CCCCC1,WXLLGYZUHHAMEG-UHFFFAOYSA-N
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-rxn:4:187973:225923,O=C(c1ccccc1-c1cnc(OC2CCCC2)nc1Cl)N1C2CCC1CC(S(=O)(=O)c1ccccc1)C2,KIFAYLDCUCQSGE-UHFFFAOYSA-N
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-rxn:4:188468:223500,COC(=O)c1c(F)ccc([N+](=O)[O-])c1-c1ccc(F)c(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1,REMBTWAFTWSMEF-UHFFFAOYSA-N
-rxn:4:188996:223504,COC(=O)c1nc(C2CC2)ccc1-c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)c([N+](=O)[O-])c1,WDIWGMFGJWSAAL-UHFFFAOYSA-N
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-rxn:4:190112:224132,COc1ccc(C2(C#N)CCCCC2)cc1-c1ccccc1C(=O)N(C)C1CCCCC1,XDDVUTXGAZAJCE-UHFFFAOYSA-N
-rxn:4:190143:222524,COC1CCN(C(=O)c2cccc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCC(O)CC3)c2F)CC1,HVZBSAAEYUPDPY-UHFFFAOYSA-N
-rxn:4:190153:224686,COc1c(Cl)cc(C(=O)N2CCC(F)CC2)cc1-c1ccc(C(=O)N2CCCCC2)cc1F,JMKCTLGYLSVAHY-UHFFFAOYSA-N
-rxn:4:190153:224714,CCCCOc1ccc(-c2cc(C(=O)N3CCC(F)CC3)cc(Cl)c2OC)cc1C(F)(F)F,DUVINKASURHXLT-UHFFFAOYSA-N
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-rxn:4:190227:223597,CS(=O)(=O)c1ccc(CN2CCOCC2)c(-c2ccc(OCCN3CCC4(CC3)OCCO4)c(Cl)c2)c1,SIMWWHLJLSHIPK-UHFFFAOYSA-N
-rxn:4:190246:223922,COc1ccc(C=C2N=C(c3ccc(-c4ccc(Cl)c(C(=O)N(C)C5CCCCC5)c4)cc3)OC2=O)cc1,GAJARFUWDOJIKI-UHFFFAOYSA-N
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-rxn:4:190330:224721,Cc1nn(CC(=O)OC(C)(C)C)c(C)c1-c1ccc(C2CCCN2S(=O)(=O)C(C)C)cc1,MHXPVHCJDVPYQJ-UHFFFAOYSA-N
-rxn:4:190338:222633,COC(=O)c1cc(F)c(N2CCC(C)CC2)cc1-c1ccc(C(=O)NCCN2CCCC2)cc1,CTIGYXSMQWCRCN-UHFFFAOYSA-N
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-rxn:4:199589:222793,CC(C)N(Cc1ccc(-c2cccc(NC(=O)OC(C)(C)C)c2F)nc1)C(=O)OC(C)(C)C,UKBKECCBUAUHMM-UHFFFAOYSA-N
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-rxn:4:199759:222845,CC(c1ccc(-c2cccc(N3CCN(C(=O)OCC[Si](C)(C)C)CC3)c2)cc1)N1CCNCC1,ABUFJFIVJKGQMQ-UHFFFAOYSA-N
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-rxn:4:208176:223503,CC(C)(C)OC(=O)N1CCC(Oc2cc(F)c(-c3cnc(C(F)(F)F)cn3)c(F)c2)CC1,JQCWYRFSIQKNLL-UHFFFAOYSA-N
-rxn:4:208409:223541,Cc1nc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC3(CC2)OCCO3)sc1S(N)(=O)=O,OAPFFNDIILCMJV-UHFFFAOYSA-N
-rxn:4:209558:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cncc(N4CCOCC4=O)c3)c2Cl)CC1,AUAIRVOZOUKPEL-UHFFFAOYSA-N
-rxn:4:209873:223712,COc1ccc(-c2cnc(N3CCCC(C)C3)c(F)c2)cc1C12CC3CC(CC(C3)C1)C2,DZJULJCBZMEAID-UHFFFAOYSA-N
-rxn:4:209896:224704,CC1CCN(c2cc(-c3cnn(C4CCOC5(CCOCC5)C4)c3)cc(F)c2F)CC1,OXOVLESSCMLJFV-UHFFFAOYSA-N
-rxn:4:211060:222546,CN1CCN(C2CCCc3cc(-c4ccc(OCCNC5CCCCC5)c(F)c4)ccc32)CC1,YBCSEMZVCGRYQA-UHFFFAOYSA-N
-rxn:4:211099:224462,Cc1ccc(C2=NN3C(C2)c2cc(-c4ccc(C5CCN(C6CC6)CC5)cc4)ccc2OC32CCCC2)cc1,KKEZIFBNTVZOAM-UHFFFAOYSA-N
-rxn:4:211099:224863,Cc1ccc(C2=NN3C(C2)c2cc(-c4ccccc4CN(C(C)C)C(C)C)ccc2OC32CCCC2)cc1,RKQNZLFQDUHULE-UHFFFAOYSA-N
-rxn:4:211100:223091,CC1CCC2(CC1)Oc1ccc(-c3cnc(NC(=O)OC(C)(C)C)s3)cc1C1CC(c3ccc(Cl)cc3)=NN12,VWWLEVUMTYWNQN-UHFFFAOYSA-N
-rxn:4:211101:224582,Cc1ccc(C2=NN3C(C2)c2cc(-c4cccc(N5CCN(C6CC6)CC5)c4)ccc2OC32CCC(C)CC2)cc1,KYWBAZYVNQFZCZ-UHFFFAOYSA-N
-rxn:4:212514:224403,C[Si](C)(C)CCOCn1cc(-c2cnc(N3CCOCC3)c(C(F)(F)F)c2)nc1[N+](=O)[O-],YCWIRZBUCNVJSM-UHFFFAOYSA-N
-rxn:4:212523:222730,CCCc1cc(-c2ccc(C(=O)N3CCN=C3SCc3ccc([N+](=O)[O-])cc3)o2)cc(C2CCNCC2)n1,OTLFMGFIAGSYOF-UHFFFAOYSA-N
-rxn:4:212541:223775,COc1ccc2c(c1)c(-c1cncc(OCC3CN(C(=O)OC(C)(C)C)C3)n1)cn2C(=O)OC(C)(C)C,HLUIKEKFPNQEDC-UHFFFAOYSA-N
-rxn:4:212559:225089,CCCCCOc1ccc(-c2ccc(CSC3=NCCN3C(=O)c3ccc([N+](=O)[O-])cc3)cc2)c(F)c1F,LXFRSSGCNGUDKY-UHFFFAOYSA-N
-rxn:4:212568:226842,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cncc(C(=O)C(F)(F)F)c2)cc1,CUFAZOCMCXOSFD-UHFFFAOYSA-N
-rxn:4:212578:222616,CCSc1ccccc1C(=O)N1CC(Cn2cc(-c3cc(C4CCNCC4)cc(C(C)(C)C)c3)cn2)C1,PWGOXEBLEUFNMD-UHFFFAOYSA-N
-rxn:4:212606:225172,CC(C)CC(=O)N1CCCC(COc2ncc(-c3cc(CN4CCOCC4)ccc3F)cn2)C1,PKGFPHOJMSAUFT-UHFFFAOYSA-N
-rxn:4:212606:226279,Cc1cnc(OCC(C)C)c(-c2cnc(OCC3CCCN(C(=O)CC(C)C)C3)nc2)c1,YTQUSXQFUODBOG-UHFFFAOYSA-N
-rxn:4:212616:225348,COC(=O)c1ccc(C(F)(F)F)cc1-c1cncc(C(=O)OCC(=O)N2CCN(c3ccccc3F)CC2)c1,KSHBBZZPFOLEOP-UHFFFAOYSA-N
-rxn:4:212630:223897,Cc1ccc(-c2cncc(C(=O)N3CCCC(COc4ncccc4C(F)(F)F)C3)c2)cc1OCCCN1CCOCC1,FBIRJEWEFXUNKU-UHFFFAOYSA-N
-rxn:4:212639:223939,CC(C)(C)OC(=O)N1CCN(C(=O)Cc2cncc(-c3ccc4c(c3)N(C(=O)OC(C)(C)C)CCO4)c2)CC1,ONBJGXABULRIQP-UHFFFAOYSA-N
-rxn:4:212642:223076,O=C(c1ccc(-c2cccc(S(=O)(=O)NC3CC3)c2)o1)N1CCC(COc2ccc(C3CC3)nn2)CC1,VMWBTOXPNRZPQP-UHFFFAOYSA-N
-rxn:4:212648:224930,CCN(CC)Cc1cc(-c2cn(C)nc2OCC2CCN(C(=O)OC(C)(C)C)CC2)ccc1OC,ZEGRIOLOEXUSHC-UHFFFAOYSA-N
-rxn:4:212650:224127,CCN1CCN(C(C)c2ccc(-c3cnc(OCC4CCCN(C(=O)CC(C)(C)C)C4)nc3)cc2)CC1,YODSWWUNDYOCQE-UHFFFAOYSA-N
-rxn:4:212650:226708,CC(C)(C)CC(=O)N1CCCC(COc2ncc(-c3cc(C4OCCO4)ccc3Cl)cn2)C1,JNSMKDAGCNOCBW-UHFFFAOYSA-N
-rxn:4:212657:223696,COc1ccccc1CN1CCCC(COc2ncc(-c3ccc(S(=O)(=O)N4CCC5(CC4)OCCO5)cc3)cn2)C1,PEQIXRUKYAUEQZ-UHFFFAOYSA-N
-rxn:4:212660:222723,COc1cccc(CN2CCC(COc3ncc(-c4cccc(NS(=O)(=O)N5CCOCC5)c4)cn3)CC2)c1,YWVSXDDXPRDPBV-UHFFFAOYSA-N
-rxn:4:212680:224501,Cc1ccc(OCC2CCN(C(=O)Cc3ccc(F)cc3-c3ccc(OCC4CCCCN4C)cc3)CC2)nn1,YTGIDTVLPUAXOH-UHFFFAOYSA-N
-rxn:4:212685:223170,COC(=O)c1ccc(N2CCN(S(=O)(=O)c3ccc(-c4cnc(C5CCCNC5)nc4)cc3)CC2)c([N+](=O)[O-])c1,VPTHGXQXHCYQMS-UHFFFAOYSA-N
-rxn:4:212693:228627,CCc1ccc(Cl)c(-c2cncc(CC(=O)N3CCN(C(=O)OC(C)(C)C)CC3C)c2)c1,NCGCSOIKIKHSJE-UHFFFAOYSA-N
-rxn:4:212695:225008,COC1CCN(c2ccc(-c3ccccc3CCC(=O)N3CCC(S(=O)(=O)c4nccn4C)CC3)cc2)CC1,KZSNSHKJDIMCCW-UHFFFAOYSA-N
-rxn:4:212704:223239,CN(CC1CCN(C(=O)OC(C)(C)C)CC1)c1cccc(-c2cncc(C3CCCN3)c2)n1,XMIPIJBVAUMURK-UHFFFAOYSA-N
-rxn:4:212738:223638,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cccc(C4CCCN(C(=O)OC(C)(C)C)C4)c3)cc2N2CCOCC2)CC1,CZLBNLYSPWACFV-UHFFFAOYSA-N
-rxn:4:212749:223073,CC1CN(Cc2ccc(-c3cnc(NCc4ccco4)nc3)cc2N2CCCCC2)CCN1C(=O)OC(C)(C)C,INUWIMWLLYEWTQ-UHFFFAOYSA-N
-rxn:4:212750:224889,CC1CN(C(=O)OC(C)(C)C)CCN1Cc1ccc(-c2ccccc2-c2ccc(C#N)cc2)cc1N1CCCCC1,LJQYTUOJBJWVPX-UHFFFAOYSA-N
-rxn:4:212768:225557,CCOC(=O)c1nc(-c2ccc(C3(C(=O)OC)CC3)cc2)n2c1CN(C(=O)OC(C)(C)C)CC2,XROHITKSCNDXPX-UHFFFAOYSA-N
-rxn:4:212782:225122,COC(=O)Cn1c(=NC(=O)c2ccccc2-c2cncc(O[Si](C)(C)C(C)(C)C)c2)sc2cc(S(N)(=O)=O)ccc21,HFJIDOOSIBGSSW-UHFFFAOYSA-N
-rxn:4:212809:223653,COc1cc2cc(-c3ccc4c(c3)sc(=NC(=O)CSCC(=O)N3CCCc5ccccc53)n4C)n(C(=O)OC(C)(C)C)c2cc1Cl,WYYNFFJQOHDBDQ-UHFFFAOYSA-N
-rxn:4:212814:225075,COC(=O)c1cc2ccc(-c3c4c(nn3C(=O)OC(C)(C)C)C(C)(C)N(C(=O)OC(C)(C)C)C4)cc2cn1,KESNJYATODSVJR-UHFFFAOYSA-N
-rxn:4:212816:222803,O=C(CCc1c[nH]c2ccccc12)N1CCN(S(=O)(=O)c2ccc(-c3ccc(C4CCNC4)c(C(F)(F)F)c3)cc2)CC1,XTEOXLUTHVACQZ-UHFFFAOYSA-N
-rxn:4:212846:222822,CC(=O)N1CCc2c(sc3nc(SCc4ccc(-c5cc(S(=O)(=O)NC6CC6)c(C)cc5F)cc4)n(Cc4ccco4)c(=O)c23)C1,AIXMFCSKYJJZNG-UHFFFAOYSA-N
-rxn:4:212923:222945,CC(C)NS(=O)(=O)c1ccc(-c2ccc(C3(C#N)CN(C(=O)OC(C)(C)C)C3)nc2)cc1F,IRZDOPMWWXMHJV-UHFFFAOYSA-N
-rxn:4:213038:223487,COc1ccc(N(c2ccc(OC)cc2)c2ccc(-c3c[nH]c(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c3)cc2)cc1,QCLIAQWABJPJPX-UHFFFAOYSA-N
-rxn:4:213045:224788,CCCCOc1ncc(C(F)(F)F)cc1-c1cnc(OCC2CCCN(C(=O)C3CCC3)C2)nc1,CCXQSGJVFMZXCO-UHFFFAOYSA-N
-rxn:4:213049:224681,CC1CCN(c2oc(COc3ccc(-c4ccc(C(=O)N5CCCCC5)c(F)c4)cc3)nc2C#N)CC1,NAYOOZKWFSEPGO-UHFFFAOYSA-N
-rxn:4:213065:225542,CCCCCc1ccc(-c2cnc(OC3CCCN(C(=O)c4ccc(C(F)(F)F)cc4)C3)nc2)c(F)c1F,VQUCBTNRIQNWCX-UHFFFAOYSA-N
-rxn:4:213076:224720,CC(C)N(C(C)C)S(=O)(=O)c1ccc(-n2cc(-c3cn(C(=O)OC(C)(C)C)nc3C3CC3)cn2)cc1,VKHQITRCRCVZCN-UHFFFAOYSA-N
-rxn:4:213080:224376,CN1CCN(S(=O)(=O)c2cccc(-c3cncc(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c3)c2)CC1,WLQIKVDWEQRRFJ-UHFFFAOYSA-N
-rxn:4:213080:227210,CCCCOc1ccc(-c2cncc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)cn1,XOGSVIKPZJAHTI-UHFFFAOYSA-N
-rxn:4:213097:223064,CC(C)(C)OC(=O)N1CCC(C#N)(c2ccc(-c3ccc(C4CCNCC4)nc3F)cn2)CC1,NMVDYBXXWNVEJF-UHFFFAOYSA-N
-rxn:4:213103:223991,COc1ncccc1C(=O)N1CCC(Oc2ncccc2-c2c(F)cc(F)c(O[Si](C)(C)C(C)(C)C)c2F)CC1,GFWJWIYILIDFRR-UHFFFAOYSA-N
-rxn:4:213111:224482,COc1cccc(C(=O)N2CCC(Oc3ncc(-c4cccc(OCCCN5CCCC5)c4)cn3)CC2)c1,IFTFDFZXDGUYIK-UHFFFAOYSA-N
-rxn:4:213123:223005,O=C(Cc1ccccc1-c1ccc(C2CCNCC2)c(Cl)c1)N1CCN(c2ccnc(C(F)(F)F)c2)C(=O)C1,YSDWOQIHESVTEU-UHFFFAOYSA-N
-rxn:4:213123:226325,CC(C)(C#N)c1ccc(-c2ccccc2CC(=O)N2CCN(c3ccnc(C(F)(F)F)c3)C(=O)C2)c(F)c1,CKTSBGDZKPLLSG-UHFFFAOYSA-N
-rxn:4:213127:225982,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3cnc(N4CCOCC4)cc3F)ccn2)CC1,GLTPQYQZGWQEHX-UHFFFAOYSA-N
-rxn:4:213132:222634,CC(C)(C)C(=O)N1CCCC(COc2ncc(-c3ccc(OCCNC4CCCC4)c(F)c3)cn2)C1,VYWIUWBHAIBMQD-UHFFFAOYSA-N
-rxn:4:213132:224196,CCN1CCN(Cc2cc(F)cc(-c3cnc(OCC4CCCN(C(=O)C(C)(C)C)C4)nc3)c2)CC1,SUDPPJAMYJJBSV-UHFFFAOYSA-N
-rxn:4:213132:225172,CC(C)(C)C(=O)N1CCCC(COc2ncc(-c3cc(CN4CCOCC4)ccc3F)cn2)C1,VCPJBAZDLPKBQO-UHFFFAOYSA-N
-rxn:4:213134:222584,CCC(C)(C)C(=O)N1CCC(Oc2ncc(-c3ccc(OCCCN4CCNCC4)c(F)c3)cn2)CC1,KPBDMBWNNOIKGJ-UHFFFAOYSA-N
-rxn:4:213135:224196,CCN1CCN(Cc2cc(F)cc(-c3cnc(OC4CCN(C(=O)CC(C)(C)C)CC4)nc3)c2)CC1,XMZARRMLZHKMOO-UHFFFAOYSA-N
-rxn:4:213160:224819,COc1ccccc1S(=O)(=O)N1CCC(Oc2ncc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)cn2)CC1,VSMJZGHBCQZJOP-UHFFFAOYSA-N
-rxn:4:213179:224650,Cc1ccc(OCC2CCN(C(=O)c3cccc(-c4cc(F)ccc4OCC4CCOCC4)c3)CC2)nn1,VTBZFZWLAZHQSX-UHFFFAOYSA-N
-rxn:4:213192:225979,CC(=O)N1CCN(c2cc(C(=O)OC(C)(C)C)cc(-c3cnc(N4CCOCC4)c(Cl)c3)n2)CC1,BYFHISMXABSIBB-UHFFFAOYSA-N
-rxn:4:213215:225760,CCN(C)C(=O)c1ccc(-c2cnc(OCC3CCN(CC4CCOCC4)CC3)nc2)c(F)c1,DOPVPMGNTCZNMQ-UHFFFAOYSA-N
-rxn:4:213259:222637,CC(NC(=O)OC(C)(C)C)c1ccc(-c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)C(C)(C)C3)cn2)cc1,NKDBKIWUAWGCNY-UHFFFAOYSA-N
-rxn:4:213259:222945,CC(C)NS(=O)(=O)c1ccc(-c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)C(C)(C)C3)cn2)cc1F,HGJLYJIDXQDCMB-UHFFFAOYSA-N
-rxn:4:213262:226716,CN(C)c1ccc(C(=S)N2CCN(C(=S)c3ccc(-c4ccn(C(=O)OC(C)(C)C)n4)cc3)CC2)cc1,HIGSVVNZABBPFI-UHFFFAOYSA-N
-rxn:4:213273:222622,CCC(C)c1cc(-c2cnccc2OC2CCN(C(=O)c3ccc(N4CCOCC4)cc3)C2)cc(C2CCCNC2)n1,VGNMRIPDMTWBAT-UHFFFAOYSA-N
-rxn:4:213325:223534,C#CCn1c(=NC(=O)c2ccccc2-c2cc(OC3CCN(C(=O)OC(C)(C)C)CC3)ncc2F)sc2cc(S(N)(=O)=O)ccc21,MPVHQNIQISSTLT-UHFFFAOYSA-N
-rxn:4:213326:222696,CC(C)OC(=O)c1cc2nc(-c3ccc(-c4ccc(F)c(C(=O)N5CCC(O)CC5)c4)cc3)cc(C(F)(F)F)n2n1,ZIWZWAQLNVSAFY-UHFFFAOYSA-N
-rxn:4:213355:226062,CC(C)CS(=O)(=O)C1CN(C(=O)c2c3ccc(-c4cc(C(C)C)cc(C(C)C)c4)cc3nn2C)C1,OSNGVMQUVXJHBV-UHFFFAOYSA-N
-rxn:4:213412:228342,CC(C)CS(=O)(=O)C1CCN(C(=O)c2c3ccc(-c4cccc(OC(F)F)c4)cc3nn2C)CC1,SFPNRNUCQSAJSH-UHFFFAOYSA-N
-rxn:4:213419:223493,CCOc1ccc(-n2cc(-c3nc(-c4ccccc4-c4cc(S(=O)(=O)N5CCN(C(=O)OC(C)(C)C)CC5)ccc4C)no3)c3ccccc3c2=O)cc1,VHVAVENIURFURH-UHFFFAOYSA-N
-rxn:4:213439:224358,COc1ccc2nc(C(F)(F)F)cc(-c3cccc4c3ccn4CC(=O)N3CCN(C(=O)C4COc5ccccc5O4)CC3)c2c1,HKMQRKAQVFKJSR-UHFFFAOYSA-N
-rxn:4:213474:222545,CC(C)(C)OC(=O)NC(C)(C)c1ccc(-c2ccc3c(c2)C(F)(F)c2cc(-c4cnc([C@@H]5CC6(CC6)CN5C(=O)OC(C)(C)C)[nH]4)ccc2-3)cc1,MARKWYPOGIKEKT-XIFFEERXSA-N
-rxn:4:213629:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2ccnn2C2CN(C(=O)OC(C)(C)C)C2)cc1,ABXGNDQCMHCWTB-UHFFFAOYSA-N
-rxn:4:213652:222604,COc1ccc(-c2ccccc2S(=O)(=O)N2CCC(Oc3cnsn3)C2)cc1S(=O)(=O)NC1CCCC1,AVKPPPTXJYOCSF-UHFFFAOYSA-N
-rxn:4:213672:222886,CCOC(=O)N1CCN(c2ncc(Cl)cc2-c2ccc(N3CCNCC3)cc2C#N)CC1,NBMAFGTUOHOIEI-UHFFFAOYSA-N
-rxn:4:213688:225565,COC(=O)C1CCN(C(=O)c2c(-c3cccc(OCC4CCCO4)c3)cnn2C)CC1,IWRSDEIGVRNSJZ-UHFFFAOYSA-N
-rxn:4:213693:223178,CONC(=O)c1ccc(F)c(-c2cnn(C(C)C(=O)N3CCCC(C(F)(F)F)C3)c2)c1,MBQDAARWFNHJQP-UHFFFAOYSA-N
-rxn:4:213758:223790,CC(C)(C)OC(=O)N1CCCC1c1cncc(-c2cnc(CCC3CCCCN3S(C)(=O)=O)cn2)c1,GGHWRNLWWXPBOP-UHFFFAOYSA-N
-rxn:4:213759:223774,COc1cccc2c1cc(-c1cnc(C3CCCN3C(=O)OC(C)(C)C)cn1)n2C(=O)OC(C)(C)C,FGUXGCMVMXDRBA-UHFFFAOYSA-N
-rxn:4:213765:223579,CC1CN(C(=O)OC(C)(C)C)CCN1c1ccc(-c2cncc(C3CCN(C(=O)OC(C)(C)C)C3)n2)cc1,NRRLBHMKPLTJNJ-UHFFFAOYSA-N
-rxn:4:213769:224718,CC(C)(C)OC(=O)N1CCCC1c1ncc(-c2ccc(OCCN3CCOCC3)nc2)cn1,KAFKWQPVEYHQKC-UHFFFAOYSA-N
-rxn:4:213803:223662,CC(C)(C)OC(=O)N1CCOCC1c1ncc(-c2ccc(C(=O)OCc3ccccc3)cc2[N+](=O)[O-])cn1,RGJILNYTJSSVTJ-UHFFFAOYSA-N
-rxn:4:213812:222702,Cc1ccc(OC2CCN(C(=O)c3ccc(-c4cc(C5CCCNC5)ccc4C(F)(F)F)o3)CC2)nn1,KRYJRUMFDHYOGK-UHFFFAOYSA-N
-rxn:4:213875:225982,CC(C)(C)OC(=O)N1CCN(c2cccc(-c3cnc(N4CCOCC4)cc3F)n2)CC1,OGPORYVKWLNCPA-UHFFFAOYSA-N
-rxn:4:213883:223593,Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)sc1-c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)c(Cl)c1,RVVBBZWLXQCIJG-UHFFFAOYSA-N
-rxn:4:213884:223945,CC(C)(C)OC(=O)N1CCC(c2ccnc(-c3ccc(OCCCN4CCOCC4)c(F)c3)n2)CC1,ROYWJQOCYDYAHT-UHFFFAOYSA-N
-rxn:4:213894:225977,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cc(Cl)cnc3N3CCOCC3)cn2)CC1,HCBNQLYYCNBZBV-UHFFFAOYSA-N
-rxn:4:213910:223286,CS(=O)(=O)Nc1cccc(-c2cccnc2OC2CCN(S(=O)(=O)N3CCOCC3)C2)c1,ZEZJVXZSIWTXMP-UHFFFAOYSA-N
-rxn:4:213932:226999,CCCC(=O)c1ccc(-c2cnc(N3CCOC(C(=O)N4CCCC4)C3)c(C(F)(F)F)c2)cc1,RVZLCTSTVJWMQP-UHFFFAOYSA-N
-rxn:4:213940:226566,COC(=O)c1ccc(OC)cc1-c1cnn(C)c1C1CCCN(C(=O)OC(C)(C)C)C1,GVMWSSJAARRMJR-UHFFFAOYSA-N
-rxn:4:213970:224325,Cc1ccc(S(=O)(=O)N2CCC(Oc3ncc(-c4ccc(C5=CCN(S(C)(=O)=O)CC5)cc4)cn3)CC2)cc1,YUHNAASIHFVPNQ-UHFFFAOYSA-N
-rxn:4:213971:229167,CN(C)c1nc(-c2cc(C(F)(F)F)cnc2N2CCOC(C(=O)N3CCOCC3)C2)cs1,YGYMLJZTPHVGEE-UHFFFAOYSA-N
-rxn:4:213972:226981,CCCCCCc1ccsc1-c1cnc(N2CCOC(C(=O)N3CCOCC3)C2)c(C(F)(F)F)c1,OFTLPCZPEBNFIH-UHFFFAOYSA-N
-rxn:4:213973:225553,CC(C)N(C)C(=O)c1ccc(-c2cc(C(F)(F)F)cnc2N2CCOC(C(=O)N3CCSCC3)C2)cc1,CTAHPGLJQBCGAT-UHFFFAOYSA-N
-rxn:4:213973:228822,Cc1ccc(Cl)c(-c2cc(C(F)(F)F)cnc2N2CCOC(C(=O)N3CCSCC3)C2)c1F,NTGHIUJUNAUHSE-UHFFFAOYSA-N
-rxn:4:213990:223541,Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1-c1cc(F)c(F)cc1S(=O)(=O)N1CCC2(CC1)OCCO2,WKQDXRGSFHBJJE-UHFFFAOYSA-N
-rxn:4:214013:222887,COc1cc(N2CCN(C(=O)c3cccc(-c4cccc(C(=O)N5CCNCC5)c4)c3C)CC2=O)ccn1,OQJZXABYJNXGHW-UHFFFAOYSA-N
-rxn:4:214029:222546,O=C(C1CCCN(c2ncc(-c3ccc(OCCNC4CCCCC4)c(F)c3)cc2C(F)(F)F)C1)N1CCSCC1,XDFISJSJKDHFRJ-UHFFFAOYSA-N
-rxn:4:214029:224718,O=C(C1CCCN(c2ncc(-c3ccc(OCCN4CCOCC4)nc3)cc2C(F)(F)F)C1)N1CCSCC1,CQGZJUGUXPMRID-UHFFFAOYSA-N
-rxn:4:214033:224579,Cc1cn(-c2ccc(C3CC3)c(-c3cc(C4=N[C@@H](C(C)C)CO4)nc(C4=N[C@@H](C(C)C)CO4)c3)c2)cn1,XAJPRBBJOMUHTK-VSGBNLITSA-N
-rxn:4:214033:226176,CC(C)[C@H]1COC(c2cc(-c3ccncc3C3CCCCC3)cc(C3=N[C@@H](C(C)C)CO3)n2)=N1,ARKYMEQDTSQRLJ-CLJLJLNGSA-N
-rxn:4:214033:226686,Cc1cnn(C2CCCCO2)c1-c1cc(C2=N[C@@H](C(C)C)CO2)nc(C2=N[C@@H](C(C)C)CO2)c1,VZRARMVGGKMBOW-WELAQSEPSA-N
-rxn:4:214042:225564,COC(=O)C(C)(C)c1cccc(-c2ccc(C(=O)N3CCC(N4CC(=O)N(c5ccccc5)C4=O)CC3)o2)c1,JQDZJLLDJNIXHN-UHFFFAOYSA-N
-rxn:4:214054:222396,O=C(NC1CCC(O)CC1)c1ccc(-c2ccccc2S(=O)(=O)N2CCC(N3CC(=O)N(C4CC4)C3=O)CC2)cc1,GMJBPWXXNJOJCC-UHFFFAOYSA-N
-rxn:4:214059:228218,CC(C)(C)OC(=O)N1CC2(CCN(c3ccc(-c4cc(C5CC5)ncc4F)cn3)CC2)C1,LJKUQQNXKPMYJE-UHFFFAOYSA-N
-rxn:4:214070:224685,O=C1CCN(C(=O)c2cccc(-c3ccccc3C(=O)N3CCC(N4CC(=O)N(c5ccccc5)C4=O)CC3)c2)CC1,MRVCHPJCYRNQAF-UHFFFAOYSA-N
-rxn:4:214073:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2ccc(N3C(=O)CC(N4CCN(Cc5ccccc5)CC4)C3=O)cc2)CC1,ATCISNLYYFCLBJ-UHFFFAOYSA-N
-rxn:4:214073:225952,Cc1nc(N2CCOCC2)ncc1-c1ccc(N2C(=O)CC(N3CCN(Cc4ccccc4)CC3)C2=O)cc1,HKXPXDLRWLVMJK-UHFFFAOYSA-N
-rxn:4:214074:225556,Cc1nn(S(=O)(=O)c2ccc(-c3cccc(C(=O)OC(C)(C)C)c3)cc2)c(C)c1S(=O)(=O)N1CCCC(C)C1,XIGXGTJUVWMPNI-UHFFFAOYSA-N
-rxn:4:214075:222622,CCC(C)c1cc(-c2ccc(CN3CCC(N4CC(=O)N(c5ccccc5)C4=O)CC3)cc2)cc(C2CCCNC2)n1,FQJUKPRNOXTXSV-UHFFFAOYSA-N
-rxn:4:214080:225572,COC(=O)c1ccc(C2CC2)cc1-c1ccc(C(=O)N2CCC(n3nc(C(C)(C)C)ccc3=O)CC2)cc1,NABNZPRPORELFS-UHFFFAOYSA-N
-rxn:4:214083:223508,Cc1ccc(S(=O)(=O)N2CCC(c3nc(-c4ccccc4-c4ccc(N5CCN(S(=O)(=O)c6ccc(Cl)cc6)CC5)nc4)no3)CC2)cc1C,XNCVJIAOPGJOMT-UHFFFAOYSA-N
-rxn:4:214115:224719,CCN(CC)S(=O)(=O)c1ccc(-c2cn(C(=O)OC(C)(C)C)nc2C(C)C)c2c1N=S=N2,NUBMGZOJNQYORG-UHFFFAOYSA-N
-rxn:4:214153:225386,CN(C(=O)OC(C)(C)C)[C@H]1COc2c(-c3cc(F)c(C(F)(F)F)cc3[N+](=O)[O-])cnn2C1,HWCREKBDJVPKEC-SNVBAGLBSA-N
-rxn:4:214219:223681,CC(C)(C)OC(=O)n1c(-c2cncc(C(=O)N3CCC(Oc4nc5ccc(F)cc5s4)CC3)c2)cc2cc([N+](=O)[O-])ccc21,WEDOXDUGEDHKPS-UHFFFAOYSA-N
-rxn:4:214258:223728,CCCCCC1CCC(c2ccc(-c3cnc(OC4CCN(Cc5ccc6c(c5)CCO6)CC4)nc3)c(F)c2)CC1,SKCJDRIZUUJEDC-UHFFFAOYSA-N
-rxn:4:214303:224290,CC(C)N1C(=O)C(=Cc2c(Oc3ccc(-c4ccc(Cl)cc4OCCN4CCOCC4)cc3)nc3ccccn3c2=O)SC1=S,AJOLUONJVZKAQD-UHFFFAOYSA-N
-rxn:4:214389:224483,CC(=O)N1CCc2c([nH]c3ccccc23)C12C(=O)N(CCC(C)C)c1ccc(-c3ccc(OCCN4CCCCC4)cc3)cc12,NRDNBWZYKFAODO-UHFFFAOYSA-N
-rxn:4:214390:225877,CCOc1ccc(C2=NN3C(C2)c2cc(-c4ccc(Cl)cc4N4CCOCC4)ccc2OC32CCN(C(C)=O)CC2)cc1,SHVHHUMZVJHHTG-UHFFFAOYSA-N
-rxn:4:214390:227539,CCOc1ccc(C2=NN3C(C2)c2cc(-c4c(OC)cc(Cl)cc4OC)ccc2OC32CCN(C(C)=O)CC2)cc1,SWWWDNHXTNYTDE-UHFFFAOYSA-N
-rxn:4:214630:223589,Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1c(C2CC2)n[nH]c1C(=O)N1CCOCC1,VSTZBJLPBTYOFN-UHFFFAOYSA-N
-rxn:4:214679:223602,Cn1cc(-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2Cl)c(CN2CCC(C(F)(F)F)CC2)n1,CNELDGVPDKWFRO-UHFFFAOYSA-N
-rxn:4:214715:223637,CCN1CCN(c2cc(-c3ccccc3C3CCCN(C(=O)OC(C)(C)C)C3)cc(F)c2[N+](=O)[O-])CC1,JVLHFZDDDCRFHA-UHFFFAOYSA-N
-rxn:4:214735:224325,CS(=O)(=O)N1CC=C(c2ccc(-c3cnc(N4CCN(S(=O)(=O)C5CC5)CC4)c(F)c3)cc2)CC1,CSJZIDIFNYOZQN-UHFFFAOYSA-N
-rxn:4:214743:224325,CN(C)C1CCN(c2cccc(-c3ccc(C4=CCN(S(C)(=O)=O)CC4)cc3)c2C#N)CC1,DSZUJRURHWIDJQ-UHFFFAOYSA-N
-rxn:4:214745:224325,CN(C)C1CCN(c2cc(-c3ccc(C4=CCN(S(C)(=O)=O)CC4)cc3)ccc2C#N)CC1,PMOQDFUSAAWFRR-UHFFFAOYSA-N
-rxn:4:214746:224325,CN(C)C1CCN(c2ccc(-c3ccc(C4=CCN(S(C)(=O)=O)CC4)cc3)cc2C#N)CC1,MMGNIBFZHFIVPP-UHFFFAOYSA-N
-rxn:4:214774:224325,CN(C)S(=O)(=O)N1CCN(c2ccc(-c3ccc(C4=CCN(S(C)(=O)=O)CC4)cc3)cc2)CC1,MXHJTEWMAQTGSU-UHFFFAOYSA-N
-rxn:4:214803:222602,CC(C)Cc1cc(-c2ccc(N3CCOC(C(=O)N4CCCC4)C3)nc2)c(S(=O)(=O)NC(C)(C)C)s1,YCDSENSJXDLLKF-UHFFFAOYSA-N
-rxn:4:214829:223175,CCS(=O)(=O)Nc1cccc(-c2cccnc2N2CCOC(C(=O)N3CCSCC3)C2)c1,YIRNZVRTMCUNTM-UHFFFAOYSA-N
-rxn:4:214835:224663,CN1CCN(Cc2ccc(-c3cc(Cl)cnc3N3CCOC(C(=O)N4CCOCC4)C3)cc2F)CC1,FJCNHSXIUKQDTQ-UHFFFAOYSA-N
-rxn:4:214836:225313,CN1CCN(c2ccc(-c3cc(Cl)cnc3N3CCOC(C(=O)N4CCSCC4)C3)c(F)n2)CC1,HCXNWCALPKGMOA-UHFFFAOYSA-N
-rxn:4:214837:223787,CN1CCN(CCCOc2ccc(-c3cnc(N4CCOC(C(=O)N5CCSCC5)C4)c(Cl)c3)cc2F)CC1,KRJWSKLPJMEYCQ-UHFFFAOYSA-N
-rxn:4:214839:226231,CCCCOc1ncc(-c2cnc(N3CCOC(C(=O)N4CCSCC4)C3)c(F)c2)cc1C,NSHLALONXTVOAR-UHFFFAOYSA-N
-rxn:4:214867:222546,Cc1cc(-c2ccc(OCCNC3CCCCC3)c(F)c2)cnc1N1CCOC(C(=O)N2CCCC2)C1,DDJLTELXFQKLDX-UHFFFAOYSA-N
-rxn:4:214867:225382,Cc1cc(-c2cc(C(F)(F)F)ccc2C(F)(F)F)cnc1N1CCOC(C(=O)N2CCCC2)C1,QSQKSOHPOZONJH-UHFFFAOYSA-N
-rxn:4:214872:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cc(Cl)cnc3N3CCOC(C(=O)N4CCCCC4)C3)ccn2)CC1,ZTOBVVXSBARIAJ-UHFFFAOYSA-N
-rxn:4:214873:226092,CCCCOc1ccc(-c2cnc(N3CCCC(C(=O)N4CCOCC4)C3)c(F)c2)c(C)c1,HSPYOSJXQGQVSF-UHFFFAOYSA-N
-rxn:4:214873:226981,CCCCCCc1ccsc1-c1cnc(N2CCCC(C(=O)N3CCOCC3)C2)c(F)c1,OQWUVZRQVURSLH-UHFFFAOYSA-N
-rxn:4:214880:224810,Cc1cc(-c2cnc(N3CCCC3)c(C(F)(F)F)c2)cnc1N1CCOC(C(=O)N2CCOCC2)C1,DLOQEESMSKXGIL-UHFFFAOYSA-N
-rxn:4:214880:228140,Cc1cc(-c2ccc(C(C)N(C)C)s2)cnc1N1CCOC(C(=O)N2CCOCC2)C1,XOMWFJNGAQKSPQ-UHFFFAOYSA-N
-rxn:4:214886:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3cnc(N4CCC(C(=O)N5CCC(F)(F)CC5)CC4)c(F)c3)cc21,UGXZMEBJXSSBGO-UHFFFAOYSA-N
-rxn:4:214886:225518,CCCCCOc1ncc(C)cc1-c1cnc(N2CCC(C(=O)N3CCC(F)(F)CC3)CC2)c(F)c1,WZAVNBDWWSIQTD-UHFFFAOYSA-N
-rxn:4:214888:222741,O=C(c1cncc(-c2cc(C3CC3)nc(C3CCCNC3)c2)c1)N1CCC2(CC1)OC(=O)N(c1ccccc1)C2=O,COKMZOWTGRUIHZ-UHFFFAOYSA-N
-rxn:4:215026:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2n[nH]c3c2CN(C(=O)OC(C)(C)C)C3)cc1,ZSIKSNLWDRHXCE-UHFFFAOYSA-N
-rxn:4:215066:222636,C[C@@H](NC(=O)OC(C)(C)C)c1ccc(-c2cnn3c2N(C(=O)OC(C)(C)C)CCC3)cc1,XUJHKPURSLBHHG-MRXNPFEDSA-N
-rxn:4:215076:223999,CC1CCN(S(=O)(=O)c2ccc(F)c(-c3ccc4[nH]c(C(=O)N5CCC(C#N)CC5)cc4c3)c2)CC1,FZVGBCIXQJYEJQ-UHFFFAOYSA-N
-rxn:4:215106:222935,Cc1nn2c(c1-c1ccc(CNS(=O)(=O)N(C)C)cc1)CN(C(=O)OC(C)(C)C)CC2,CZMAHTFLNSHFJI-UHFFFAOYSA-N
-rxn:4:215109:222936,CCC(=O)NS(=O)(=O)c1ccc(-c2c3c(nn2C)CCN(C(=O)OC(C)(C)C)C3)cc1,FOILGOFSQCLMEH-UHFFFAOYSA-N
-rxn:4:215112:223687,CCC(=O)N1CCN(c2nc3ccc(-c4cnc(N5CCN(C(=O)OC(C)(C)C)CC5)nc4)cc3s2)CC1,AHHXWCXGVSGXPN-UHFFFAOYSA-N
-rxn:4:215197:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccccc1S(=O)(=O)N1CCC2CN(c3ccccn3)CC21,OUSTUDZLFVWGPE-UHFFFAOYSA-N
-rxn:4:215198:225268,CCCOc1cc(-c2ccc3nc(N4CCOC(C(=O)N5CCOCC5)C4)sc3c2)cc(C(F)(F)F)c1,RDHHFCWGADNSHK-UHFFFAOYSA-N
-rxn:4:215201:226266,COC(=O)CCc1ccccc1-c1cnc2n1CCC21CCN(C(=O)OC(C)(C)C)CC1,SXFSCSLMKBYTDI-UHFFFAOYSA-N
-rxn:4:215239:222923,Cc1ccc(-c2ccc(N3OC4C(=O)N(C5CCCCC5)C(=O)C4C3c3cccnc3)cc2)cc1S(=O)(=O)NC1CC1,SPUILFWDDGWUIS-UHFFFAOYSA-N
-rxn:4:215303:223837,CCCN1CCC2(CC1)Oc1ccc(-c3ccc(Oc4ccc(OC(F)(F)F)cc4)nc3)cc1C1CC(c3ccc4ccccc4c3)=NN12,YIBHDQMUXVONRU-UHFFFAOYSA-N
-rxn:4:215635:223493,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1csc(-c2cnc(C3CC3)nc2)n1,NTNZOHRSVPWPNT-UHFFFAOYSA-N
-rxn:4:215708:223595,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(C(=O)N4CCOCC4)nc3)cc2F)CC1,QETUECHUOBSNSG-UHFFFAOYSA-N
-rxn:4:215798:223993,C=C1CCN(c2ncc(-c3ccc(S(=O)(=O)N4CCN(C)CC4)c(C)c3)cc2C#N)CC1,MXCYUIAYHQZBMZ-UHFFFAOYSA-N
-rxn:4:215798:223994,C=C1CCN(c2ncc(-c3cc(S(=O)(=O)N4CCN(C)CC4)ccc3C)cc2C#N)CC1,BIFBITXQNBPELS-UHFFFAOYSA-N
-rxn:4:215906:224377,CN1CCN(S(=O)(=O)c2ccc(-c3cncc(S(=O)(=O)N4CCN(C)CC4)c3)cc2)CC1,SEVTZXWUQQSYEH-UHFFFAOYSA-N
-rxn:4:215938:223994,CC(=O)N1CCCN(c2ncccc2-c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2C)CC1,LHUJEJFHQMTOGC-UHFFFAOYSA-N
-rxn:4:215947:223970,Cc1ccc(-c2nc(N3CCCC3)cc(C(C)(C)C)n2)cc1S(=O)(=O)N1CCC(C)CC1,DXPBMPGFCUOICO-UHFFFAOYSA-N
-rxn:4:215955:223993,Cc1cc(-c2cnccc2N2CCC(N(C)C)CC2)ccc1S(=O)(=O)N1CCN(C)CC1,SWMNDRKMBLYZQW-UHFFFAOYSA-N
-rxn:4:215955:223997,Cc1cc(-c2cnccc2N2CCC(N(C)C)CC2)cc(C)c1S(=O)(=O)N1CCOCC1,SKRUZIHLQAWWAF-UHFFFAOYSA-N
-rxn:4:215957:223993,Cc1cc(-c2cccnc2N2CCC(N(C)C)CC2)ccc1S(=O)(=O)N1CCN(C)CC1,LIWIDXSZUSXQJK-UHFFFAOYSA-N
-rxn:4:215957:223994,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cccnc1N1CCC(N(C)C)CC1,FGJLDKJABCGWJN-UHFFFAOYSA-N
-rxn:4:215961:222826,CN1CCN(c2ccc(S(N)(=O)=O)cc2-c2cccc(S(=O)(=O)N3CCNCC3)c2)CC1,VNOBWFQZXVYUKM-UHFFFAOYSA-N
-rxn:4:215990:226831,CCCn1cc(-c2ccc(N3CCN(C4CCN(C)CC4)CC3)cc2)c(C(F)(F)F)n1,ZYNUHNGPHJRUKI-UHFFFAOYSA-N
-rxn:4:216252:223998,CC(=O)N1CCc2c(c(-c3ccc(S(=O)(=O)N4CCC(C)CC4)c(F)c3)nn2C2CCOCC2)C1,ZPYBGVVOYCBADY-UHFFFAOYSA-N
-rxn:4:216425:223492,Cc1cc(-c2cnn(C)c2[N+](=O)[O-])ccc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,XESGMGGYCZWSCX-UHFFFAOYSA-N
-rxn:4:217765:223526,Cc1nc(N2CCC2)c2cc(-c3ccc(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)cc3)sc2n1,PLTCRZVZLGNKAG-UHFFFAOYSA-N
-rxn:4:217905:223169,Cc1ccc(C2=NN3C(C2)c2cc(-c4cnc(C5CCNCC5)nc4)ccc2OC32CCN(C)CC2)o1,SFKOBVIKFWAEOY-UHFFFAOYSA-N
-rxn:4:217905:223844,Cc1ccc(C2=NN3C(C2)c2cc(-c4ccc(S(=O)(=O)N5CCCC5)cc4C(F)(F)F)ccc2OC32CCN(C)CC2)o1,QSERLOBDTXLTGM-UHFFFAOYSA-N
-rxn:4:218567:224271,CN(CC1CN(C(=O)OC(C)(C)C)C1)c1cnc(-c2cc3cccnc3n2C(=O)OC(C)(C)C)cn1,IANBVIBGCOKWNN-UHFFFAOYSA-N
-rxn:4:218587:225178,N#Cc1ccc(S(=O)(=O)N2CCC(COc3ncc(-c4ccc(CN5CCOCC5)cc4F)cn3)CC2)cc1,ZDFQGZROOHOUKM-UHFFFAOYSA-N
-rxn:4:218640:224759,CC(C)c1ocnc1CN1CCCC(COc2ncc(-c3cc(F)cc(C(=O)N4CCOCC4)c3)cn2)C1,YZUDQQDTKUWLHY-UHFFFAOYSA-N
-rxn:4:218674:226374,Cc1nn(CCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c(C)c1-c1cncnc1C1CCCCC1,QIEOSKBMPQKGSA-UHFFFAOYSA-N
-rxn:4:218683:223482,Cc1cnc(N(C)C2CCCN(C(=O)CCc3ccccc3-c3ccc(OC(F)(F)F)c(S(=O)(=O)N4CCC5(CC4)OCCO5)c3)C2)nc1,YQXJJQHQRCLAMH-UHFFFAOYSA-N
-rxn:4:218695:226374,Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCn3nc(C)c(-c4cncnc4C4CCCCC4)c3C)CC2)cc1,LORJPJDISOIWCJ-UHFFFAOYSA-N
-rxn:4:218698:224201,Cc1nc(OCc2ccccc2)c(-c2ccc(N3CC(C(=O)N4CCN(CCc5ccncc5)CC4)CC3=O)cc2)cc1Cl,FJPCPTBJKGDSCA-UHFFFAOYSA-N
-rxn:4:218705:223812,CC(Oc1ccc(Cl)cc1)C(=O)N1CCCN(c2cc(-c3ccc(-c4cc(F)cc(CN5CCC6(CC5)OCCO6)c4)cc3)n[nH]2)CC1,BHPBCBYLAXFILP-UHFFFAOYSA-N
-rxn:4:218710:223120,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc(C(=O)NC5CC5)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,VMWUXCSVULNJHX-UHFFFAOYSA-N
-rxn:4:218772:223028,CCCNC(=O)c1ccc(F)c(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCOCC4)CC3)c2)c1,YTEAPJBFGWZJPZ-UHFFFAOYSA-N
-rxn:4:218778:223931,Cc1cc(Cn2c(N3CC4(CN(C(=O)OC(C)(C)C)C4)C3)nc3c(-c4cc5ccc(Cl)cc5n4C(=O)OC(C)(C)C)cc(Cl)cc32)cc(C)c1F,NIRNHMMPGUUBPS-UHFFFAOYSA-N
-rxn:4:218814:223582,COC(=O)c1ccc2cc(-c3cccc(-n4nnn(CC(=O)OC(C)(C)C)c4=O)c3)n(C(=O)OC(C)(C)C)c2c1,GYLDCVBWVQOMCR-UHFFFAOYSA-N
-rxn:4:218867:226141,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3ccccc3OC3CCCC3)c2)no1,DMSQMDWORFQYQV-UHFFFAOYSA-N
-rxn:4:218868:223168,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3cccnc3N3CCNCC3)cc2)no1,VPWHQJXYDHIMLI-UHFFFAOYSA-N
-rxn:4:218868:226323,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3ccc(OC4CCCC4)nc3)cc2)no1,XRXBQCNWQILMNT-UHFFFAOYSA-N
-rxn:4:218921:225340,CCOc1cc(-c2ccccc2CCC(=O)N2CCN(c3ncc(F)cn3)C(=O)C2)ccc1OC(F)(F)F,PHMPRNMWAZNLIH-UHFFFAOYSA-N
-rxn:4:218944:227213,CCCCSc1cncc(-c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)c([N+](=O)[O-])c2)c1,LASHXVPOFDSVKB-UHFFFAOYSA-N
-rxn:4:218944:227387,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3ccnc(N4CCCC4)c3)cc2[N+](=O)[O-])CC1,RMGYEGLNSIIKPS-UHFFFAOYSA-N
-rxn:4:218945:223184,CC(C)(C)OC(=O)N1CCN(c2c(-c3cnc(N4CCNCC4)nc3)cncc2[N+](=O)[O-])CC1,GOKIJMNHZSSSLE-UHFFFAOYSA-N
-rxn:4:218948:225975,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ncc(-c3ccnc(N4CCOCC4)c3Cl)cn2)CC1,NSHNHLLDMSKYKV-UHFFFAOYSA-N
-rxn:4:218970:222858,Cc1noc(C)c1C(=O)N1CCCC(COc2ncc(-c3cccc(C(=O)NCCN(C)C)c3)cn2)C1,SHRRRZVXUSAPSY-UHFFFAOYSA-N
-rxn:4:218971:224620,Cc1nc(C)c(C(=O)N2CCC(COc3ncc(-c4ccc(CO[Si](C)(C)C(C)(C)C)nc4)cn3)CC2)s1,PINURYQNOMPMNF-UHFFFAOYSA-N
-rxn:4:218999:226511,C[C@H]1CN(C(=O)OC(C)(C)C)CCN1c1ncc(-c2cc(Cl)cnc2OCC2CC2)cc1C#N,VLXUHJNVUPKRGX-INIZCTEOSA-N
-rxn:4:219015:225744,COc1ccc(-c2cncc(C(=O)OC(C)(C)C)c2)c(C(=O)N2CCC(S(=O)(=O)c3nncn3C)CC2)c1,TUCAEHJAASJRHI-UHFFFAOYSA-N
-rxn:4:219038:223812,Cn1nc(-c2ccccc2)cc1C(=O)N1CCC(Oc2ccncc2-c2cc(F)cc(CN3CCC4(CC3)OCCO4)c2)C1,FTOBPYYHZNIQTG-UHFFFAOYSA-N
-rxn:4:219047:224949,COc1ccc(-c2ccc(OC)c(CN3CCCC3)c2)c(C(=O)N2CCN(c3ccc(C4CC4)nn3)CC2)c1,IXWGGXFQGXFSQT-UHFFFAOYSA-N
-rxn:4:219050:225364,Cc1cc(F)c(-c2ccc(-c3csc(N4CCN(c5ccc(C(F)(F)F)cc5[N+](=O)[O-])CC4)n3)cc2)cc1S(=O)(=O)N(C)C,JMCPVCOGOIDWEI-UHFFFAOYSA-N
-rxn:4:219079:223834,Cc1cccc(CC(=O)N2CCCN(c3cc(-c4ccc(-c5cc(C)c(S(=O)(=O)N6CCN(C)CC6)c(C)c5)cc4)n[nH]3)CC2)c1,IJNRJOKAOOWMPH-UHFFFAOYSA-N
-rxn:4:219080:222891,COc1ccc(-c2cc(OC)nc(C3CCNCC3)c2)c(C(=O)N2CCN(c3c(C)nn(-c4ccccc4)c3C)CC2)c1,QIYNINLORXFVRG-UHFFFAOYSA-N
-rxn:4:219129:223533,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cnc(OCC4CCCN(Cc5nc6c(s5)CCC6)C4)nc3)c(F)c2)CC1,COUBOYUYOWLJDE-UHFFFAOYSA-N
-rxn:4:219297:223670,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2cnccc2OC2CCN(c3cc(C#N)ccn3)C2)CC1,NKRZNQXZAHIYGI-UHFFFAOYSA-N
-rxn:4:219371:224834,CN(C)S(=O)(=O)n1cc(-c2nncn2C2CCN(C(=O)OC(C)(C)C)CC2)c(C(F)(F)F)n1,HDVFSPFOFMJREO-UHFFFAOYSA-N
-rxn:4:219375:222791,CC(C)(C)OC(=O)Nc1ccc(Cl)c(-c2cn(C3CCCN(C(=O)OC(C)(C)C)C3)nn2)c1,FZBQDCKEXCWOFW-UHFFFAOYSA-N
-rxn:4:219404:223059,CC(C)(C)OC(=O)N1CCN(c2cncc(-c3ccc(N4CCNCC4)cc3Cl)n2)CC1,AAKVQOVMIQIFIG-UHFFFAOYSA-N
-rxn:4:219414:227006,CC(C)COc1cccc(-c2cnc(N3CCOC(C(=O)N4CCCC4)C3)c(C#N)c2)c1,BKJFZWHNIQNBKV-UHFFFAOYSA-N
-rxn:4:219436:222584,N#Cc1cc(-c2ccc(OCCCN3CCNCC3)c(F)c2)cnc1N1CCOC(C(=O)N2CCOCC2)C1,AKHAGBCRHNMNNN-UHFFFAOYSA-N
-rxn:4:219441:222706,FC(F)(F)c1ccnc(N2CCN(Cc3ccc(-c4cc(C5CCNCC5)ccc4C(F)(F)F)cc3)CC2)n1,GNKOSWMUSHCRPE-UHFFFAOYSA-N
-rxn:4:219455:222848,CCc1cc(-c2n[nH]c(C3CCN(C(=O)OC(C)(C)C)CC3C)n2)cc(C2CCCNC2)n1,NDMDLPAYWRGMEA-UHFFFAOYSA-N
-rxn:4:219468:222584,O=C(N1CCOCC1)N1CCC(Oc2ncc(-c3ccc(OCCCN4CCNCC4)c(F)c3)cn2)CC1,YOUOPWCMSCLNPP-UHFFFAOYSA-N
-rxn:4:219475:224325,Cn1nc(C(=O)N2CCC(Oc3ncccc3-c3ccc(C4=CCN(S(C)(=O)=O)CC4)cc3)CC2)ccc1=O,TWXNQPPKBALODS-UHFFFAOYSA-N
-rxn:4:219497:222584,N#Cc1cc(-c2ccc(OCCCN3CCNCC3)c(F)c2)cnc1N1CCOC(C(=O)N2CCCCC2)C1,XIHFCEKVNJBWCJ-UHFFFAOYSA-N
-rxn:4:219501:227571,CCOc1cc(F)c(-c2cnc(SC)nc2N2CCOC(C(=O)N3CCOCC3)C2)cc1Cl,MSVHKULMCITWPB-UHFFFAOYSA-N
-rxn:4:219506:222927,Cc1nc(N2CCCCC2O)ncc1-c1ccc(S(=O)(=O)N2CCCN(S(=O)(=O)c3c[nH]cn3)CC2)cc1,TYJYZSQBMZOROR-UHFFFAOYSA-N
-rxn:4:219531:224364,CSc1ncc(-c2cc(OCC(C)C)cc(OC(F)(F)F)c2)c(N2CCOC(C(=O)N3CCCCC3)C2)n1,OIEGIERXFJXJJE-UHFFFAOYSA-N
-rxn:4:219536:226842,Cc1nc(S(=O)(=O)N2CCCN(C(=O)c3ccc(-c4cncc(C(=O)C(F)(F)F)c4)o3)CC2)cn1C,PZLGKXUKHRLIMC-UHFFFAOYSA-N
-rxn:4:219539:222842,Cn1nc(C2CC2)cc1N1CCN(C(=O)c2ccccc2-c2cccc(C(=O)NC3CCCC3)c2)CC1,CFEBTDABYYMESS-UHFFFAOYSA-N
-rxn:4:219627:223570,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3nnc(N4CC5CCC(C4)N5C(=O)OC(C)(C)C)s3)c(F)ncc21,LHKYXKCDZOVVRW-UHFFFAOYSA-N
-rxn:4:219667:224669,CN1CCN(Cc2ccc(-c3ccccc3C(=O)N3CCN(S(=O)(=O)c4cccc5nsnc45)CC3)c(F)c2)CC1,BHMHDWIZVZGZHB-UHFFFAOYSA-N
-rxn:4:219766:225736,CCCOc1c(OC)ccc(-c2cncc(C(=O)N3CCC(Cn4nc5c(cc4=O)CCCC5)CC3)c2)c1F,YLLFNNCEUOENJZ-UHFFFAOYSA-N
-rxn:4:219877:223594,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)cc(-c3ccccc3CN3CCN(c4cnsn4)CC3)c2)CC1,KSDXPQAETKWKEJ-UHFFFAOYSA-N
-rxn:4:219904:222845,CC(c1ccc(-c2cnc(C3CCN(S(=O)(=O)N(C)C)CC3)cn2)cc1)N1CCNCC1,UYUIWXNRRBYBQE-UHFFFAOYSA-N
-rxn:4:219904:224015,Cc1cc(F)c(-c2cnc(C3CCN(S(=O)(=O)N(C)C)CC3)cn2)cc1S(=O)(=O)N1CCOCC1,SIFLSVWMTBHCFQ-UHFFFAOYSA-N
-rxn:4:219910:223602,Cn1ccnc(N2CCC(Oc3ccncc3-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3Cl)C2)c1=O,VLJNZSOBQPXOCA-UHFFFAOYSA-N
-rxn:4:219916:223776,CC(C)(C)OC(=O)N1CCOc2ccc(-c3cnc(N4CCC(C#N)(c5ccccc5)CC4)nc3)cc2C1,BOBMMPGZZHMJNL-UHFFFAOYSA-N
-rxn:4:219934:223028,CCCNC(=O)c1ccc(F)c(-c2cnc(N3CCOC(C(=O)N4CCCC4)C3)nc2)c1,BIOUZLVCTUANBN-UHFFFAOYSA-N
-rxn:4:219959:222462,CC(C)(C)OC(=O)Nc1nc2cc(F)c(-c3cnc(N4CCOC(C(=O)N5CCOCC5)C4)nc3)c(F)c2s1,BJFRRNSLWWHEGV-UHFFFAOYSA-N
-rxn:4:219975:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnc(N4CCOC(C(=O)N5CCCCC5)C4)nc3)c(F)c2)CC1,UBGSDFNPUWDBEW-RSSXGHEXSA-N
-rxn:4:220123:224376,CN1CCN(S(=O)(=O)c2cccc(-c3ccc(Cl)c(C(=O)N4C5CCC4CC(n4nccn4)C5)c3)c2)CC1,DNQICUJVJYIUCQ-UHFFFAOYSA-N
-rxn:4:220123:224592,N#CC1(c2ccc(F)c(-c3ccc(Cl)c(C(=O)N4C5CCC4CC(n4nccn4)C5)c3)c2)CCCCC1,MVUVECUYVKVXNH-UHFFFAOYSA-N
-rxn:4:220124:224592,N#CC1(c2ccc(F)c(-c3ccc(Cl)c(C(=O)N4C5CCC4CC(n4ccnn4)C5)c3)c2)CCCCC1,URONFOWPSLFXCL-UHFFFAOYSA-N
-rxn:4:220158:224379,CN1CCN(S(=O)(=O)c2ccccc2-c2ccccc2S(=O)(=O)N2CC3CN(c4cnccn4)CC3C2)CC1,HYZBDLMREVIXCK-UHFFFAOYSA-N
-rxn:4:220162:226466,CSc1ncc(-c2ccc3c(c2)OCC(=O)N3C)c(N2CC(N3CC4CCCC4C3)C2)n1,HJDQTQWFMJDCQM-UHFFFAOYSA-N
-rxn:4:220204:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2ccc3ncnc(N4CCOC(C(=O)N5CCOCC5)C4)c3c2)CC1,HPNZAESOOYVVDO-UHFFFAOYSA-N
-rxn:4:220239:225106,CCN(CC)C(=O)c1ccc(-c2c3c(nn2Cc2ccccc2)C(=O)N([C@H]2COc4ccccc4N(C)C2=O)CC3)cc1Cl,COINQNFQYBBPTL-NDEPHWFRSA-N
-rxn:4:220400:223482,CN1CCN(c2cc([N+](=O)[O-])cc(-c3ccc(OC(F)(F)F)c(S(=O)(=O)N4CCC5(CC4)OCCO5)c3)n2)CC1,ZVEJYJBAUUWQEF-UHFFFAOYSA-N
-rxn:4:220429:225123,c1cc(-c2cnc(N3CCCN(C4CCOC4)CC3)nc2)c(OCC2CCCCO2)cn1,HJXZWJRQXZNCGM-UHFFFAOYSA-N
-rxn:4:220444:223588,Cc1cc(-c2cnc3[nH]nc(C(=O)N4CCC4)c3c2)cnc1N1CCN(C(=O)OC(C)(C)C)CC1,NMGROKFDCIIEFD-UHFFFAOYSA-N
-rxn:4:220470:223594,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)cc(-c3cncc(C(=O)N4CCn5nccc5C4)c3)c2)CC1,YXRDEOHWJWCYCI-UHFFFAOYSA-N
-rxn:4:220536:222615,CC(C)Cc1cc(-c2ccc3ncnc(N4CCN(C5CCC5)CC4)c3c2)cc(C2CCNCC2)c1,DMTNKKICFCYMLR-UHFFFAOYSA-N
-rxn:4:220546:222466,c1nc2c(c(N3CCN(c4ccc(-c5cc(C6CCCCC6)nc(C6CCNCC6)c5)cc4)CC3)n1)CCC2,UCIUFDZYEKWNNS-UHFFFAOYSA-N
-rxn:4:220814:223507,CN1CCN(c2ncc(-c3ccccc3S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cn2)CC1,MUVMZIKVUBWFPZ-UHFFFAOYSA-N
-rxn:4:220816:223810,Cc1cc(-c2nc(N3CCCCCC3)n(C)n2)cc(C)c1S(=O)(=O)N1CCC(C)CC1,IIRYCAYUTIMVIB-UHFFFAOYSA-N
-rxn:4:220935:223540,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1cnc2ccc(N3CCOCC3)nn12,YVYMQBUNSRGHSP-UHFFFAOYSA-N
-rxn:4:221107:225357,CCOc1cc(-c2cnc(OCC3CCCN(C(=O)Cn4cnc(C)c(C)c4=O)C3)nc2)c(F)c(C(F)(F)F)c1,NRSHDFMCFUKLAR-UHFFFAOYSA-N
-rxn:4:221112:227261,CCCOc1ccc(F)c(-c2ccc(OCC)c(S(=O)(=O)N3CCN(c4nc(C)cc(N(C)C)n4)CC3)c2)c1,KDFVXXLZOKJHST-UHFFFAOYSA-N
-rxn:4:221113:226725,O=C(Cc1ccccc1-c1cccc(OCC(F)(F)F)c1)N1CCN(Cc2nncn2C2CCCCC2)CC1,GBFCWBVYATUKIU-UHFFFAOYSA-N
-rxn:4:221153:222634,N#Cc1ccnc(OCC2CCCN(c3ncc(-c4ccc(OCCNC5CCCC5)c(F)c4)cn3)C2)c1,OBFBGJRMJPDNDS-UHFFFAOYSA-N
-rxn:4:221156:223687,CCn1cc(S(=O)(=O)N2CC(Cn3cc(-c4cnc(N5CCN(C(=O)OC(C)(C)C)CC5)nc4)cn3)C2)nc1C,DJUWRJVWCGJGPL-UHFFFAOYSA-N
-rxn:4:221163:223728,CCCCCC1CCC(c2ccc(-c3ccc(OC)cc3C(=O)N3CC(c4nc(-c5ncccn5)no4)C3)c(F)c2)CC1,MBRZTDISXPVXQT-UHFFFAOYSA-N
-rxn:4:221173:223592,Cn1nc(C(=O)N2CCCC(COc3ncc(-c4ccc(N5CCN(C(=O)OC(C)(C)C)CC5)cc4Cl)cn3)C2)ccc1=O,GGYWVUPLKUUJHT-UHFFFAOYSA-N
-rxn:4:221173:224325,Cn1nc(C(=O)N2CCCC(COc3ncc(-c4ccc(C5=CCN(S(C)(=O)=O)CC5)cc4)cn3)C2)ccc1=O,NRSAJEQFMBPICC-UHFFFAOYSA-N
-rxn:4:221175:224667,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4ccc(Cl)c(CN5CCN(C)CC5)c4)cn3)C2)C(=O)C1=O,GNBGRHJVVSWURJ-UHFFFAOYSA-N
-rxn:4:221175:225870,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4cc(F)cc(N5CCOCC5)c4)cn3)C2)C(=O)C1=O,MHOJTKGAUQRWMG-UHFFFAOYSA-N
-rxn:4:221180:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnc(OCC4CCN(C(=O)c5cc(C)n(C)n5)CC4)nc3)c(F)c2)CC1,CBLMPGCXHFUDDP-YOCNBXQISA-N
-rxn:4:221181:224672,CCN1CCN(c2ccc(-c3cnc(OCC4CCCN(C(=O)c5cc(C)n(C)n5)C4)nc3)c(Cl)c2)CC1,CBGPTYJMPLZLJE-UHFFFAOYSA-N
-rxn:4:221181:224759,Cc1cc(C(=O)N2CCCC(COc3ncc(-c4cc(F)cc(C(=O)N5CCOCC5)c4)cn3)C2)nn1C,WEJMKQZXLAFAEY-UHFFFAOYSA-N
-rxn:4:221230:224406,N#Cc1cc2c(nc1N1CCCC(COc3ncc(-c4ccc(F)c(S(=O)(=O)N5CCOCC5)c4)cn3)C1)CCC2,UFHHQPUIDRGKQT-UHFFFAOYSA-N
-rxn:4:221233:222540,Cc1cn2nc(OCC3CCN(C(=O)c4cncc(-c5cccc(C(=O)NCCN6CCCCC6)c5)c4)CC3)ccc2n1,UPPNSOZIYUGUST-UHFFFAOYSA-N
-rxn:4:221240:223533,Cn1nc2c(c1CN1CCCC(COc3ncc(-c4ccc(CN5CCN(C(=O)OC(C)(C)C)CC5)cc4F)cn3)C1)CCC2,UEDJZOBCTHUNIJ-UHFFFAOYSA-N
-rxn:4:221249:222980,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc4c(-c5ccc(CN6CCNCC6)cc5)cnn4c3)cc2)CC1,SSORPCKUNXKJIU-UHFFFAOYSA-N
-rxn:4:221249:223008,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc4c(-c5cc(C6CCNCC6)ccc5F)cnn4c3)cc2)CC1,DLEWKXWZRCONPF-UHFFFAOYSA-N
-rxn:4:221267:222886,CCCCCn1c(=O)c2c(nc3n2CCCN3c2ccc(-c3ccc(N4CCNCC4)cc3C#N)cc2)n(C)c1=O,HCIWNMYHBMAMHC-UHFFFAOYSA-N
-rxn:4:221272:225543,CCCCCn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3cc(C(=O)CCCC)ccc3F)cc2)n(C)c1=O,RBKFTKZJOHXFAZ-UHFFFAOYSA-N
-rxn:4:221345:222602,CC(C)Cc1cc(-c2cnc(OCC3CCN(c4ncc(Cl)cn4)CC3)nc2)c(S(=O)(=O)NC(C)(C)C)s1,WCMDIPDFDDXRFE-UHFFFAOYSA-N
-rxn:4:221346:224280,CC(C)(C)OC(=O)N1CCc2sc(-c3cnc(OCC4CCCN(c5ncncc5F)C4)nc3)cc2C1,XLZIWHISZKQEJZ-UHFFFAOYSA-N
-rxn:4:221360:222694,Cn1cnc(S(=O)(=O)N2CCCC(Oc3ncc(-c4cccc(S(=O)(=O)NC5CCCCC5)c4)cn3)C2)c1,JODXUQYBVVXRMU-UHFFFAOYSA-N
-rxn:4:221360:224325,Cn1cnc(S(=O)(=O)N2CCCC(Oc3ncc(-c4ccc(C5=CCN(S(C)(=O)=O)CC5)cc4)cn3)C2)c1,WCKPIPRTCGHUCN-UHFFFAOYSA-N
-rxn:4:221369:223959,CCN1CCN(C(=O)c2cc(-c3cnc(OC4CCCN(C(=O)c5ccc(=O)n(C)n5)C4)nc3)ccc2Cl)CC1,VEIJVWRTNPPZKQ-UHFFFAOYSA-N
-rxn:4:221381:223085,Cc1nc(N2CCN(C(=O)c3cncc(-c4cnc(Cl)c(N5CCC(O)C5)c4)c3)CC2)cc(C(F)(F)F)n1,SCBPYEWSROCWAU-UHFFFAOYSA-N
-rxn:4:221393:225011,Cn1cc(S(=O)(=O)N2CCCN(C(=O)c3cncc(-c4cccc(C5(C#N)CCCC5)c4F)c3)CC2)cn1,IRJCZWBAGDVKQL-UHFFFAOYSA-N
-rxn:4:221395:224485,CC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2cnc(N3CCC(Cn4cnc(C5CC5)cc4=O)CC3)nc2)c1,GOWOGIMBSRMMDT-UHFFFAOYSA-N
-rxn:4:221412:223787,Cc1nc(C)c(C)c(OCC2CCN(c3ncc(-c4ccc(OCCCN5CCN(C)CC5)c(F)c4)cn3)CC2)n1,BDXUQXFMXVADEC-UHFFFAOYSA-N
-rxn:4:221432:224431,Cc1cc(N2CCCC2)nc(N2CCN(C(=O)c3cccc(-c4c(C)cccc4CN(C(C)C)C(C)C)c3)CC2)n1,MADRTAISZXPJEX-UHFFFAOYSA-N
-rxn:4:221436:223180,CONC(=O)c1ccc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCCCC5)nn4)CC3)cc2)cc1F,HDJZWIWBHNYDEX-UHFFFAOYSA-N
-rxn:4:221436:224999,CC(c1ccc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCCCC5)nn4)CC3)cc2)cc1)N1CCOCC1,SNYMDVCVLURNFV-UHFFFAOYSA-N
-rxn:4:221440:223202,Cc1cc(N2CCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C5(O)CCC5)cc4)cc3)CC2)n1,OVBABIKXNXDEGY-UHFFFAOYSA-N
-rxn:4:221440:223203,Cc1cc(N2CCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccc(C5(O)CCC5)c4)cc3)CC2)n1,VRWHKVBTALCBMI-UHFFFAOYSA-N
-rxn:4:221440:224904,Cc1cc(N2CCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C(=O)C5CCCCC5)cc4)cc3)CC2)n1,MTBKOCUTKGLMSI-UHFFFAOYSA-N
-rxn:4:221440:225450,Cc1cc(N2CCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C(=O)C5CCCC5)cc4)cc3)CC2)n1,NEZKBSVZSVJVJN-UHFFFAOYSA-N
-rxn:4:221440:226128,Cc1cc(N2CCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C(=O)CC5CC5)cc4)cc3)CC2)n1,HYLUGYAOHLIKHT-UHFFFAOYSA-N
-rxn:4:221440:227066,Cc1cc(N2CCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccc(C(=O)C5CC5)c4)cc3)CC2)n1,RSLAOMWAVZGHQA-UHFFFAOYSA-N
-rxn:4:221449:223203,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccc(C5(O)CCC5)c4)cc3)CC2)n1,FYEQVEOJSDYDSI-UHFFFAOYSA-N
-rxn:4:221453:223503,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4c(F)cc(OC5CCN(C(=O)OC(C)(C)C)CC5)cc4F)cc3)CC2)n1,XDOMEMVXBVBQCQ-UHFFFAOYSA-N
-rxn:4:221455:223239,O=C(c1ccc(-c2cncc(C3CCCN3)c2)cc1)N1CCN(c2ccc(N3CCCCCC3)nn2)CC1,MESPHGPPWWEKGH-UHFFFAOYSA-N
-rxn:4:221456:223202,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C5(O)CCC5)cc4)cc3)CC2)n1,XYBHLOVCLLVVAN-UHFFFAOYSA-N
-rxn:4:221456:223203,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccc(C5(O)CCC5)c4)cc3)CC2)n1,TWFQRIZUTPDISV-UHFFFAOYSA-N
-rxn:4:221456:223239,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cncc(C5CCCN5)c4)cc3)CC2)n1,PEZYAKYUXHSEBI-UHFFFAOYSA-N
-rxn:4:221456:223313,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C5(O)CC5)cc4)cc3)CC2)n1,XEGYQRKVJCZCFM-UHFFFAOYSA-N
-rxn:4:221456:227044,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C(=O)C5CC5)cc4)cc3)CC2)n1,SATMWJKJAPOLIS-UHFFFAOYSA-N
-rxn:4:221456:227066,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccc(C(=O)C5CC5)c4)cc3)CC2)n1,VTUZVSKJQMXPPM-UHFFFAOYSA-N
-rxn:4:221456:227964,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cncc(C5(C)CC5)c4)cc3)CC2)n1,PNAUYQGCACQZGJ-UHFFFAOYSA-N
-rxn:4:221456:227975,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccc([Si](C)(C)C)c4)cc3)CC2)n1,QXZOVRGHCKNRCJ-UHFFFAOYSA-N
-rxn:4:221456:227976,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc([Si](C)(C)C)cc4)cc3)CC2)n1,VWHVJVBUTSGMBZ-UHFFFAOYSA-N
-rxn:4:221456:227983,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccccc4[Si](C)(C)C)cc3)CC2)n1,MTXIBKFTIWLXHI-UHFFFAOYSA-N
-rxn:4:221494:222722,CN(C(=O)c1cncc(-c2cccc(S(=O)(=O)N3CCC(O)CC3)c2)c1)C1CN(c2cc3c(nn2)CCC3)C1,OGINRJDJRAGUMU-UHFFFAOYSA-N
-rxn:4:221645:223838,CN(C)S(=O)(=O)N1CCN(c2ccc(-c3cnc(N4CCC(n5nc(C(C)(C)C)ccc5=O)CC4)nc3)cc2)CC1,KGHXNDFDKXEOIQ-UHFFFAOYSA-N
-rxn:4:221718:223897,Cc1ccc(-c2nc3c(c(=O)n(C)c(=O)n3C)n2CCN2CCCCC2)cc1OCCCN1CCOCC1,RGNMEPPXFGSEKX-UHFFFAOYSA-N
-rxn:4:221831:223504,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cccc(N4CCN(c5nccn6nccc56)CC4)c3)cc2[N+](=O)[O-])CC1,GWCILGUKJYFDCC-UHFFFAOYSA-N
-rxn:4:221836:223894,CN1CCN(CCCOc2cccc(-c3cnc(N4CCCN(C5=NS(=O)(=O)c6ccccc65)CC4)nc3)c2)CC1,BDLXLFSXONNYGZ-UHFFFAOYSA-N
-rxn:4:221836:224377,CN1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCCN(C5=NS(=O)(=O)c6ccccc65)CC4)nc3)cc2)CC1,VKTUTNLQVXMPBE-UHFFFAOYSA-N
-rxn:4:221913:223889,Cn1nnnc1SCC(=O)N1CCC(Oc2ncccc2-c2cccc3c2CN(C(=O)OC(C)(C)C)CC3)CC1,GSPWLZGRXMJXRO-UHFFFAOYSA-N
-rxn:4:221913:224243,CC1CCCCN1C(=O)c1cc(F)cc(-c2cccnc2OC2CCN(C(=O)CSc3nnnn3C)CC2)c1,IKTQUHKFCQHMIF-UHFFFAOYSA-N
-rxn:4:221978:223532,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)cc(-c3cnc(N4CCC(COc5ccc6nc(C7CC7)cn6n5)CC4)nc3)c2)CC1,IKPZUCPYVJLZSI-UHFFFAOYSA-N
-rxn:4:221981:223093,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5cccc(-c6cncc(NS(=O)(=O)C(C)C)c6)c5)no4)C3C2=O)cc1,KYQLVXHJNSIVBG-UHFFFAOYSA-N
-rxn:4:222006:223689,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(C(=O)N4CCN(c5cc(-n6cccn6)ncn5)CC4)o3)ccc2OC)CC1,AJRSVVOWENLPLQ-UHFFFAOYSA-N
-rxn:4:222031:222957,Cc1cc(-c2cc(C(F)(F)F)cnc2N2CCN(c3ccnc(N(C)C)n3)CC2)cc(C2CCCNC2)c1,OMTDNJZCLPDESH-UHFFFAOYSA-N
-rxn:4:222031:223671,CN(C)c1nccc(N2CCN(c3ncc(C(F)(F)F)cc3-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)CC2)n1,XOTOPNLVLGFUAV-UHFFFAOYSA-N
-rxn:4:222031:224392,Cc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1cc(C(F)(F)F)cnc1N1CCN(c2ccnc(N(C)C)n2)CC1,WQADMMROURBVMO-UHFFFAOYSA-N
-rxn:4:222062:223658,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(S(=O)(=O)N5CCOCC5)c5ccccc45)cc3)CC2)n1,ZUZLKSFRSOHBCH-UHFFFAOYSA-N
-rxn:4:222062:228490,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccc(S(=O)(=O)F)c4)cc3)CC2)n1,SVSNJNRIIHRHEZ-UHFFFAOYSA-N
-rxn:4:222062:228631,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccsc4C4CCC4)cc3)CC2)n1,HRVYVXHDYDGPMH-UHFFFAOYSA-N
-rxn:4:222108:224884,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(CN7CCC(C)CC7)c6)cc5)no4)C3C2=O)cc1F,HRCCENAOEOFNQB-UHFFFAOYSA-N
-rxn:4:222108:225942,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cnc(C(C)C)c(C(F)(F)F)c6)cc5)no4)C3C2=O)cc1F,HRCCRNBQOXICBF-UHFFFAOYSA-N
-rxn:4:222167:223591,Cc1nc(C2CC2)nc(N2CCN(c3ncc(-c4cc(N5CCN(C(=O)OC(C)(C)C)CC5)ccc4F)cn3)CC2)c1C,JXIGUHCSDMXVFJ-UHFFFAOYSA-N
-rxn:4:222167:224015,Cc1cc(F)c(-c2cnc(N3CCN(c4nc(C5CC5)nc(C)c4C)CC3)nc2)cc1S(=O)(=O)N1CCOCC1,HBXWRUQQAWVDMN-UHFFFAOYSA-N
-rxn:4:222252:224414,CSc1ncc(-c2ccc(C(F)(F)C(F)(F)C(F)(F)F)nc2)c(N(C)C2CN(c3nccnc3C#N)C2)n1,UXJKRGYVVIIPOX-UHFFFAOYSA-N
-rxn:4:222275:222542,COc1ccc(-n2nnc3c(N4CCN(C(=O)c5ccc(-c6ccc(C)c(OCCCN7CCNCC7)c6)o5)CC4)ncnc32)cc1,NEUSVKRTUNZUNX-UHFFFAOYSA-N
-rxn:4:222329:222389,c1cc(N2CCCC2)nc(N2CCN(c3ncc(-c4cc(C5CCNCC5)nc(C5CCNCC5)c4)cn3)CC2)n1,YCUYODZWNVZVHM-UHFFFAOYSA-N
-rxn:4:222329:222537,c1cc(N2CCCC2)nc(N2CCN(c3ncc(-c4cc(C5CCCC5)nc(C5CCCNC5)c4)cn3)CC2)n1,BRZTUOKLVLCPJY-UHFFFAOYSA-N
-rxn:4:222332:223944,Cc1c(Cl)cc2c(cnn2C2CCCCO2)c1-c1cnc(N2CCN(c3cc(N4CCOCC4)ncn3)CC2)nc1,WHHZBNZQGWPYGC-UHFFFAOYSA-N
-rxn:4:222335:222585,Cc1cc(N2CCN(c3ncc(-c4ccccc4C(=O)NCCN4CCOCC4)cn3)CC2)nc(N2CCCC2)n1,FFURFXWKRQNCDM-UHFFFAOYSA-N
-rxn:4:222338:223491,Cc1nc(N2CCOCC2)cc(N2CCN(c3ncc(-c4cc(N5CCN(C(=O)OC(C)(C)C)CC5)cc(C(F)(F)F)c4)cn3)CC2)n1,SJQCDKYADZMIHQ-UHFFFAOYSA-N
-rxn:4:222338:223839,COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cnc(N2CCN(c3cc(N4CCOCC4)nc(C)n3)CC2)nc1,HFARJKWHDNEECI-UHFFFAOYSA-N
-rxn:4:222338:226652,Cc1cc(-c2cnc(N3CCN(c4cc(N5CCOCC5)nc(C)n4)CC3)nc2)n(C2CCCCO2)n1,OBBRLNAWTPPXFJ-UHFFFAOYSA-N
-rxn:4:222339:224254,Cc1nc(N2CCN(C)CC2)cc(N2CCN(c3cncc(-c4ccc(F)c(C(=O)N5CCCC(C)C5)c4)c3)CC2)n1,XPWQTRCLNWQUKP-UHFFFAOYSA-N
-rxn:4:222360:222693,COCCn1cnc2c(N3CCN(c4ncc(-c5ccc(S(=O)(=O)NC6CCCCC6)cc5)cn4)CC3)ncnc21,BFBQCYRUBGRWTH-UHFFFAOYSA-N
-rxn:4:222360:222694,COCCn1cnc2c(N3CCN(c4ncc(-c5cccc(S(=O)(=O)NC6CCCCC6)c5)cn4)CC3)ncnc21,OVMBLPASWAPKQG-UHFFFAOYSA-N
-rxn:4:222364:223497,CC(c1ccc(-c2cnc(N3CCC(Cn4nc(-n5cncn5)ccc4=O)CC3)nc2)cc1)N1CCC(O[Si](C)(C)C(C)(C)C)CC1,WAEJVWAWSUZOPK-UHFFFAOYSA-N
-rxn:4:222723:174515,CC(C)[Si](Oc1ccc(-c2cccc(NS(=O)(=O)N3CCOCC3)c2)cc1)(C(C)C)C(C)C,FKVOPCXHIBRBQK-UHFFFAOYSA-N
-rxn:4:222820:187413,CC(C)(C)NS(=O)(=O)c1ccc(-c2cccc(C3CCCN3C(=O)OC(C)(C)C)c2)cc1F,IQGQKADCXVVYGI-UHFFFAOYSA-N
-rxn:4:222820:204599,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccnc3c2CCN(C(=O)OC(C)(C)C)C3)cc1F,YQNFZZZNCPTDBY-UHFFFAOYSA-N
-rxn:4:222820:215102,CC(C)(C)NS(=O)(=O)c1ccc(-c2cn3c(n2)CCN(C(=O)OC(C)(C)C)CC3)cc1F,LQPUUCBBWNXSQK-UHFFFAOYSA-N
-rxn:4:222880:187659,CC(C)(C)OC(=O)N1CCC(C)(c2ccc(-c3cc(Cl)ccc3NC(=O)C(C)(C)C)cc2)CC1,HTLICKZSMOUNRK-UHFFFAOYSA-N
-rxn:4:223080:184017,CC(C)NS(=O)(=O)c1ccc(-c2ccc(OCC3CCN(C(=O)OC(C)(C)C)CC3)cc2)cc1,DYXRKFHGXHSNSC-UHFFFAOYSA-N
-rxn:4:223102:187659,CC(C)(C)NS(=O)(=O)c1sccc1-c1ccc(C2(C)CCN(C(=O)OC(C)(C)C)CC2)cc1,BKJGDMZQIFVIGR-UHFFFAOYSA-N
-rxn:4:223671:209700,CC1(C)COC(c2ccc(-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)cn2)=N1,HRVIOLHFGGJDNM-UHFFFAOYSA-N
-rxn:4:223920:197946,CN(C(=O)c1ccc(-c2ccc3c(c2)CCCC3N2CCCC2)c(Cl)c1)C1CCCCC1,NAEWPKFVIIPEPQ-UHFFFAOYSA-N
-rxn:5:176860:225655:225834,COC(=O)c1c(-c2cncc(N3CCC(C)CC3)c2)ccc(OC)c1-c1cc(N2CCCCC2)ncc1F,POWKRVAQZWFJAO-UHFFFAOYSA-N
-rxn:5:176860:225982:225976,COC(=O)c1c(-c2cnc(N3CCOCC3)cc2F)ccc(OC)c1-c1ccnc(N2CCOCC2)c1F,NLCPEBQIYLIINJ-UHFFFAOYSA-N
-rxn:5:177181:223062:225440,CC(C)OC(=O)c1ccc(-c2cnc(C3CCNCC3)cc2F)c(-c2ccc(C3(C#N)CCCC3)cc2)c1,GLOKORCSACDJNE-UHFFFAOYSA-N
-rxn:5:177185:223062:225440,CC(C)OC(=O)c1cc(-c2cnc(C3CCNCC3)cc2F)ccc1-c1ccc(C2(C#N)CCCC2)cc1,INXQSWTYYGFUDF-UHFFFAOYSA-N
-rxn:5:177186:223061:225454,CCOC(=O)c1cc(-c2ccc(C3=CCN(C)CC3)cc2)c(-c2cc(C3CCNCC3)ncc2F)cc1C,LZSMDKOHACNQBW-UHFFFAOYSA-N
-rxn:5:177186:223065:222989,CCOC(=O)c1cc(-c2ccc(N3CCNCC3)cc2C)c(-c2ccc(N3CCNCC3)cc2F)cc1C,AGXMCTNEIQQNPN-UHFFFAOYSA-N
-rxn:5:177190:223054:225620,CCS(=O)(=O)Cc1ccc(-c2ccc(OC3CCOCC3)cc2)c(-c2ccc(C(C)N3CCC(O)C3)s2)c1,VDVHVMSVGDDTSF-UHFFFAOYSA-N
-rxn:5:177190:223054:226729,CCS(=O)(=O)Cc1ccc(-c2cnc(OC3CCOC3)nc2)c(-c2ccc(C(C)N3CCC(O)C3)s2)c1,BHWCKRYHYMMXTQ-UHFFFAOYSA-N
-rxn:5:177190:223146:225607,CCS(=O)(=O)Cc1ccc(-c2ccc(C(C)N3CCCCC3)s2)c(-c2cccc(C3CNCCO3)c2)c1,BIUWXDCSKPDBAI-UHFFFAOYSA-N
-rxn:5:177190:225439:225499,CCS(=O)(=O)Cc1ccc(-c2ccc(C3CCCCC3)cc2F)c(-c2cccc(C(C)N3CCCC3)c2)c1,AQNSOCDZABZRJS-UHFFFAOYSA-N
-rxn:5:177190:225798:226330,CCS(=O)(=O)Cc1ccc(-c2ccc(C(C)N3CCCC3)s2)c(-c2ccc(OC3CCOCC3)nc2)c1,ZPVNWKFECMENAI-UHFFFAOYSA-N
-rxn:5:177373:223010:222958,Cc1ccc(-c2ccc(OCC3OCCO3)c(-c3ccc(C4(O)CCOCC4)cc3)c2)cc1C1CCNCC1,DGTCGSUUQVYBPL-UHFFFAOYSA-N
-rxn:5:177373:223010:222959,Cc1cc(-c2ccc(OCC3OCCO3)c(-c3ccc(C4(O)CCOCC4)cc3)c2)ccc1C1CCNCC1,HPMQTWCHXAARRK-UHFFFAOYSA-N
-rxn:5:177373:223010:222960,Cc1cc(-c2ccc(OCC3OCCO3)c(-c3ccc(C4(O)CCOCC4)cc3)c2)cc(C2CCNCC2)c1,ILWGKOONUIDKKX-UHFFFAOYSA-N
-rxn:5:177730:223139:225438,CC(c1ccc(-c2ccc(-c3ccc(C4CCNCC4)nc3)cc2C(=O)OC(C)(C)C)cc1)N1CCCC1,GRGFVIANKBBKFO-UHFFFAOYSA-N
-rxn:5:177731:225438:223131,CC(c1ccc(-c2cc(-c3ccc(N4CCNCC4)cc3)ccc2C(=O)OC(C)(C)C)cc1)N1CCCC1,LFNKLVIJZYWWLR-UHFFFAOYSA-N
-rxn:5:177731:225982:225976,CC(C)(C)OC(=O)c1ccc(-c2ccnc(N3CCOCC3)c2F)cc1-c1cnc(N2CCOCC2)cc1F,NQPWQMRHZLJXQY-UHFFFAOYSA-N
-rxn:5:177732:225447:226150,CC(C)(C)OC(=O)c1ccc(-c2ccc(OC3CCCCC3)cc2)c(-c2cccc(SC3CCCC3)c2)c1,QCULNTZFKZZJBV-UHFFFAOYSA-N
-rxn:5:177733:223054:227375,CC(c1ccc(-c2cc(C(=O)OC(C)(C)C)cc(-c3ccc(N4CCCC4)nc3)c2)s1)N1CCC(O)C1,DRUIIHXVOONKRC-UHFFFAOYSA-N
-rxn:5:177733:223054:227379,CC(c1ccc(-c2cc(C(=O)OC(C)(C)C)cc(-c3cccnc3N3CCCC3)c2)s1)N1CCC(O)C1,ZXTREZGQVCEAOU-UHFFFAOYSA-N
-rxn:5:177734:226662:227684,Cc1cc(-c2ccc(N3CCN(C)CC3)s2)c(-c2cnn(CC3OCCO3)c2)cc1C(=O)OC(C)C,VXXDTHJXHGEGGT-UHFFFAOYSA-N
-rxn:5:177736:223132:223054,CC(c1ccc(-c2ccc(C(=O)OC(C)(C)C)cc2-c2cccc(N3CCNCC3)c2)s1)N1CCC(O)C1,ZVEBCURZYUIOOL-UHFFFAOYSA-N
-rxn:5:177737:223061:226037,COc1c(C(F)(F)F)ccc(-c2ccc(-c3cc(C4CCNCC4)ncc3F)c(C(=O)OC(C)(C)C)c2)c1F,RRNZTYVFQGXLRU-UHFFFAOYSA-N
-rxn:5:177738:226150:225499,COc1cc(-c2ccc(C3CCCCC3)cc2F)c(-c2cccc(SC3CCCC3)c2)cc1OC1CCC1,IFJHJEFTHRAAAQ-UHFFFAOYSA-N
-rxn:5:177739:223062:225834,CC(C)(C)OC(=O)c1cccc(-c2cnc(C3CCNCC3)cc2F)c1-c1cc(N2CCCCC2)ncc1F,VYCXLDCPXUSQQY-UHFFFAOYSA-N
-rxn:5:177739:226679:223061,CC(C)(C)OC(=O)c1cccc(-c2cnc(N3CCCC3)cc2F)c1-c1cc(C2CCNCC2)ncc1F,RGYPCXLNMWCVKD-UHFFFAOYSA-N
-rxn:5:177739:226794:225982,CC(C)(C)OC(=O)c1cccc(-c2cnc(N3CCSCC3)nc2)c1-c1cnc(N2CCOCC2)cc1F,BKFGVAXNSVGTEL-UHFFFAOYSA-N
-rxn:5:177850:223294:226731,CCOc1ccc(-c2csc(N3CCNCC3)n2)c(C2OCCO2)c1-c1ccccc1S(=O)(=O)N(C)C,PFHVFZURYBFRED-UHFFFAOYSA-N
-rxn:5:177850:226731:223139,CCOc1ccc(-c2ccccc2S(=O)(=O)N(C)C)c(C2OCCO2)c1-c1ccc(C2CCNCC2)nc1,QPHDZXMLEZQNBD-UHFFFAOYSA-N
-rxn:5:177891:225985:227438,O=C(SC1CS(=O)(=O)CC1c1ccnc(C2CCOC2)c1)c1ccccc1-c1cccc(N2CCCS2(=O)=O)c1,IIRXUIFBGRSVBC-UHFFFAOYSA-N
-rxn:5:177891:227657:227438,O=C(SC1CS(=O)(=O)CC1c1ccnc(C2CCOC2)c1)c1ccccc1-c1ccc(N2CCOCC2)s1,RPJVRGHYYLWYOW-UHFFFAOYSA-N
-rxn:5:177891:228211:227684,O=C(SC1CS(=O)(=O)CC1c1cnn(CC2OCCO2)c1)c1ccccc1-c1cc(N2CCCC2)cs1,ZXHANSKIJDGMHE-UHFFFAOYSA-N
-rxn:5:177891:228879:227656,O=C(SC1CS(=O)(=O)CC1c1cc(N2CCOCC2)cs1)c1ccccc1-c1ccnn1C1COC1,ZABAYTIPFOVYRC-UHFFFAOYSA-N
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-rxn:5:178122:225407:227348,COc1ccc(-c2cc(-c3ccc(C4CCCCCC4)cc3)ccc2COC2CCCCO2)c(C)c1OC,CCWHXEDVWUBEPM-UHFFFAOYSA-N
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-rxn:5:178295:228560:226067,CCSc1ccccc1-c1ccc(-c2ccc(C3=CCCCC3)cc2)cc1C1(C(=O)OC)CCC(=O)CC1,KMFUXYRELLWZDE-UHFFFAOYSA-N
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-rxn:5:178295:228622:226067,CCc1cc(F)ccc1-c1ccc(-c2ccc(C3=CCCCC3)cc2)cc1C1(C(=O)OC)CCC(=O)CC1,MLTKNOMCMXHCEC-UHFFFAOYSA-N
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-rxn:5:178295:228696:226150,COCc1ccc(-c2ccc(-c3cccc(SC4CCCC4)c3)cc2C2(C(=O)OC)CCC(=O)CC2)cn1,FONUIMYDYFYBKL-UHFFFAOYSA-N
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-rxn:5:178313:226190:225450,CC(C)(C)[Si](C)(C)Oc1ccc(-c2ccc(C3CCCC3)cc2F)c(-c2ccc(C(=O)C3CCCC3)cc2)c1,DGXIRIDDGMIMGK-UHFFFAOYSA-N
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-rxn:5:180602:225982:223294,COC(=O)C1Cc2cc(-c3csc(N4CCNCC4)n3)cc(-c3cnc(N4CCOCC4)cc3F)c2O1,PBOQSGPIFKPTQE-UHFFFAOYSA-N
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-rxn:5:180662:226420:223294,COC(=O)C1=Cc2cc(-c3csc(N4CCNCC4)n3)cc(-c3ccc(F)c(N4CCCC4)c3)c2OC1,KHNUCIOPPAAFQC-UHFFFAOYSA-N
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-rxn:5:181624:225462:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2cccc(N3CCC(C)CC3)c2)ccc1C1OCCO1,FCVQWWRTOCFTFY-UHFFFAOYSA-N
-rxn:5:181627:222956:225805,Cc1ccc(-c2ccc(C3OCCO3)cc2-c2ccc(C(C)N3CCOCC3)s2)c(C2CCCNC2)c1,XGBMCSJJTKBDLB-UHFFFAOYSA-N
-rxn:5:181630:225438:225832,Cc1nn(C2CCCCO2)c(C)c1-c1c(-c2ccc(C(C)N3CCCC3)cc2)cccc1C1OCCO1,UIEDMMRUCCYBIF-UHFFFAOYSA-N
-rxn:5:181904:222958:225683,Cc1ccc(-c2ccc(C3OCCO3)c(C)c2-c2ccc(C3CCCOC3)nc2C)cc1C1CCNCC1,DQNXWJPAFPEYTD-UHFFFAOYSA-N
-rxn:5:181904:222960:225607,Cc1cc(-c2ccc(C3OCCO3)c(C)c2-c2ccc(C(C)N3CCCCC3)s2)cc(C2CCNCC2)c1,HBKVRRQAQLMURW-UHFFFAOYSA-N
-rxn:5:181904:225832:225438,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(C2OCCO2)c(C)c1-c1ccc(C(C)N2CCCC2)cc1,VQBDQIUCPMVNJB-UHFFFAOYSA-N
-rxn:5:181905:222980:225683,Cc1ccc(-c2ccc(C3CCCOC3)nc2C)c(C2OCCO2)c1-c1ccc(CN2CCNCC2)cc1,HUIPUQYEVOULQS-UHFFFAOYSA-N
-rxn:5:181906:222985:225636,Cc1ccc(-c2ccc(C3CCCNC3)nc2C)c(C2OCCO2)c1-c1ccnc(N2CCC(C)CC2)c1,DYSGWKJMAWSWPZ-UHFFFAOYSA-N
-rxn:5:181906:225438:225652,Cc1ccc(-c2ccc(C(C)N3CCCC3)cc2)c(C2OCCO2)c1-c1cncc(N2CCCC(C)C2)c1,DREXMTZHJUGFHR-UHFFFAOYSA-N
-rxn:5:181906:225462:225636,Cc1ccc(-c2cccc(N3CCC(C)CC3)c2)c(C2OCCO2)c1-c1ccnc(N2CCC(C)CC2)c1,ICVLHBQLRPUZHY-UHFFFAOYSA-N
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-rxn:5:181907:225407:225639,Cc1cc(-c2ccc(C3CCCCCC3)cc2)c(-c2cccnc2N2CCC(C)CC2)c(C2OCCO2)c1,RBOFQYYLAFRSLO-UHFFFAOYSA-N
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-rxn:5:181907:225805:226452,Cc1cc(-c2ccc(C(C)N3CCOCC3)s2)c(-c2ccc(C3OCCCO3)cc2)c(C2OCCO2)c1,PMRPGHQXCRGZSO-UHFFFAOYSA-N
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-rxn:5:181908:225394:222957,Cc1cc(-c2cc(C3OCCO3)c(C)cc2-c2cc(C3CCC3)cc(C3CC3)c2)cc(C2CCCNC2)c1,KFCDYBBVXWJLMO-UHFFFAOYSA-N
-rxn:5:181908:225881:222957,Cc1cc(-c2cc(C3OCCO3)c(C)cc2-c2ccc(C3CCOCC3)nc2F)cc(C2CCCNC2)c1,ORRRKPMFWCWCNM-UHFFFAOYSA-N
-rxn:5:181908:226064:225832,Cc1cc(-c2ccc(C3CCCCC3)cc2)c(-c2c(C)nn(C3CCCCO3)c2C)cc1C1OCCO1,NHTRODBXIWHYMJ-UHFFFAOYSA-N
-rxn:5:181908:226425:222958,Cc1ccc(-c2cc(C3OCCO3)c(C)cc2-c2ccc(N3CCCCC3C)s2)cc1C1CCNCC1,IJHIPLBLZSTRGB-UHFFFAOYSA-N
-rxn:5:182011:222959:225633,Cc1cc(-c2ccc(C3CCOCC3)cc2-c2ccc(N3CCCCCC3)nc2)ccc1C1CCNCC1,DCOXPDNPTJXVKT-UHFFFAOYSA-N
-rxn:5:182011:226686:225407,Cc1cnn(C2CCCCO2)c1-c1ccc(C2CCOCC2)cc1-c1ccc(C2CCCCCC2)cc1,CWYIJKVGQKWRTK-UHFFFAOYSA-N
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-rxn:5:182013:223002:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2ccc(C3CCNCC3)cc2F)cc1C1CCOCC1,WRCUQYBWJMPSQR-UHFFFAOYSA-N
-rxn:5:183189:225832:226176,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2ccncc2C2CCCCC2)cc2c1OC(C)(C)OC2,MDGGDPRKHPPODR-UHFFFAOYSA-N
-rxn:5:183189:226686:225880,Cc1cnn(C2CCCCO2)c1-c1cc(-c2cc(C3CCOCC3)ncc2F)cc2c1OC(C)(C)OC2,NPMWPGGPRXKRQY-UHFFFAOYSA-N
-rxn:5:188388:223004:225607,CCOC(=O)c1cnc(-c2ccc(C3CCNCC3)c(F)c2)c(-c2ccc(C(C)N3CCCCC3)s2)c1,QQCPPKMIWNGVII-UHFFFAOYSA-N
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-rxn:5:188867:223062:225440,CC(C)OC(=O)c1cc(-c2ccc(C3(C#N)CCCC3)cc2)ncc1-c1cnc(C2CCNCC2)cc1F,GXGBLSKXJPXYHY-UHFFFAOYSA-N
-rxn:5:188867:225868:225976,CC(C)OC(=O)c1cc(-c2ccnc(N3CCOCC3)c2F)ncc1-c1ccc(N2CCOCC2)c(F)c1,AJDIMDVVIRHIAR-UHFFFAOYSA-N
-rxn:5:188867:225870:226661,CC(C)OC(=O)c1cc(-c2cc(N3CCN(C)CC3)cs2)ncc1-c1cc(F)cc(N2CCOCC2)c1,REGFPLXIFONGKY-UHFFFAOYSA-N
-rxn:5:188868:222994:225666,CC(C)OC(=O)c1ccnc(-c2cc(F)cc(N3CCCCC3)c2)c1-c1cccc(N2CCC(O)CC2)c1,LINSGYSACDBYSQ-UHFFFAOYSA-N
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-rxn:5:188868:225440:223004,CC(C)OC(=O)c1ccnc(-c2ccc(C3CCNCC3)c(F)c2)c1-c1ccc(C2(C#N)CCCC2)cc1,PWNQMHBQPWWLDC-UHFFFAOYSA-N
-rxn:5:188868:225440:223007,CC(C)OC(=O)c1ccnc(-c2cc(F)cc(C3CCNCC3)c2)c1-c1ccc(C2(C#N)CCCC2)cc1,VUPOUDDUSLXPDP-UHFFFAOYSA-N
-rxn:5:188868:225834:226662,CC(C)OC(=O)c1ccnc(-c2ccc(N3CCN(C)CC3)s2)c1-c1cc(N2CCCCC2)ncc1F,FBKGJQXUPVKZFQ-UHFFFAOYSA-N
-rxn:5:188868:225849:226661,CC(C)OC(=O)c1ccnc(-c2cc(N3CCN(C)CC3)cs2)c1-c1cnc(N2CCCCC2)cc1F,MTGZMZPPHSMHEN-UHFFFAOYSA-N
-rxn:5:188868:225849:226662,CC(C)OC(=O)c1ccnc(-c2ccc(N3CCN(C)CC3)s2)c1-c1cnc(N2CCCCC2)cc1F,ZQPZKRZZRAYZHR-UHFFFAOYSA-N
-rxn:5:188868:225978:226661,CC(C)OC(=O)c1ccnc(-c2cc(N3CCN(C)CC3)cs2)c1-c1ccc(N2CCOCC2)nc1F,UIKGMZUFBPPUMU-UHFFFAOYSA-N
-rxn:5:188868:225982:225868,CC(C)OC(=O)c1ccnc(-c2ccc(N3CCOCC3)c(F)c2)c1-c1cnc(N2CCOCC2)cc1F,OOAVQDUIGOKOEJ-UHFFFAOYSA-N
-rxn:5:188868:226661:225976,CC(C)OC(=O)c1ccnc(-c2ccnc(N3CCOCC3)c2F)c1-c1cc(N2CCN(C)CC2)cs1,SGPALTADYGQIEQ-UHFFFAOYSA-N
-rxn:5:188868:226662:225976,CC(C)OC(=O)c1ccnc(-c2ccnc(N3CCOCC3)c2F)c1-c1ccc(N2CCN(C)CC2)s1,VJCCZIMQMNSSSU-UHFFFAOYSA-N
-rxn:5:188930:225672:226374,COC(=O)c1cc(S(N)(=O)=O)c(-c2cc(F)nc(C3CCCCC3)c2)cc1-c1cncnc1C1CCCCC1,HHYYHCZSYZNSBP-UHFFFAOYSA-N
-rxn:5:188930:226179:226374,COC(=O)c1cc(S(N)(=O)=O)c(-c2cncc(C3CCCCC3)c2)cc1-c1cncnc1C1CCCCC1,SVDOFYWOIOOFTG-UHFFFAOYSA-N
-rxn:5:188930:226374:225674,COC(=O)c1cc(S(N)(=O)=O)c(-c2cncnc2C2CCCCC2)cc1-c1cnc(C2CCCCC2)cc1F,YYJMHTDDENNSQE-UHFFFAOYSA-N
-rxn:5:188930:226374:226177,COC(=O)c1cc(S(N)(=O)=O)c(-c2cncnc2C2CCCCC2)cc1-c1ccnc(C2CCCCC2)c1,SPEAFKILFYHZAP-UHFFFAOYSA-N
-rxn:5:188930:226374:226182,COC(=O)c1cc(S(N)(=O)=O)c(-c2cncnc2C2CCCCC2)cc1-c1cccnc1C1CCCCC1,GNDXMSWBPBAQTC-UHFFFAOYSA-N
-rxn:5:188930:226382:226438,COC(=O)c1cc(S(N)(=O)=O)c(-c2cnc(C3CCCCC3)nc2)cc1-c1cnc(C2CCCC2)cc1F,PDIQPDAVUSEDHH-UHFFFAOYSA-N
-rxn:5:189001:223065:225874,COC(=O)C1(c2nc(-c3ccc(F)c(N4CCOCC4)c3)ccc2-c2ccc(N3CCNCC3)cc2F)CC1,UXKDHFDQCNUMMF-UHFFFAOYSA-N
-rxn:5:189001:223065:225879,COC(=O)C1(c2nc(-c3ccc(N4CCOCC4)cc3F)ccc2-c2ccc(N3CCNCC3)cc2F)CC1,YKZMNDTVFFFHME-UHFFFAOYSA-N
-rxn:5:189001:223065:226664,COC(=O)C1(c2nc(-c3cc(N4CCCC4)ncc3F)ccc2-c2ccc(N3CCNCC3)cc2F)CC1,NAKQAQHOEPTFTJ-UHFFFAOYSA-N
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-rxn:5:189001:225868:225980,COC(=O)C1(c2nc(-c3cc(N4CCOCC4)ncc3F)ccc2-c2ccc(N3CCOCC3)c(F)c2)CC1,NRUQSTHRZLWSCQ-UHFFFAOYSA-N
-rxn:5:189001:225868:225982,COC(=O)C1(c2nc(-c3cnc(N4CCOCC4)cc3F)ccc2-c2ccc(N3CCOCC3)c(F)c2)CC1,RDGBJPLKMHXRCJ-UHFFFAOYSA-N
-rxn:5:189001:225874:223132,COC(=O)C1(c2nc(-c3cccc(N4CCNCC4)c3)ccc2-c2ccc(F)c(N3CCOCC3)c2)CC1,VKRHWVBTZGJOEN-UHFFFAOYSA-N
-rxn:5:189001:225976:225868,COC(=O)C1(c2nc(-c3ccc(N4CCOCC4)c(F)c3)ccc2-c2ccnc(N3CCOCC3)c2F)CC1,QAJCGGNZUGLHEH-UHFFFAOYSA-N
-rxn:5:189001:225976:225870,COC(=O)C1(c2nc(-c3cc(F)cc(N4CCOCC4)c3)ccc2-c2ccnc(N3CCOCC3)c2F)CC1,HWQSXHUACNZLRR-UHFFFAOYSA-N
-rxn:5:189001:225980:225868,COC(=O)C1(c2nc(-c3ccc(N4CCOCC4)c(F)c3)ccc2-c2cc(N3CCOCC3)ncc2F)CC1,LTYUQNPJLBQBNA-UHFFFAOYSA-N
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-rxn:5:189001:226661:225976,COC(=O)C1(c2nc(-c3ccnc(N4CCOCC4)c3F)ccc2-c2cc(N3CCN(C)CC3)cs2)CC1,FLVQSRKQRXLKAI-UHFFFAOYSA-N
-rxn:5:189001:227657:225978,COC(=O)C1(c2nc(-c3ccc(N4CCOCC4)nc3F)ccc2-c2ccc(N3CCOCC3)s2)CC1,HUYPZTJDZPMMHB-UHFFFAOYSA-N
-rxn:5:189079:225868:223062,CCN(C)C(=O)c1ccc(-c2cnc(C3CCNCC3)cc2F)c(-c2ccc(N3CCOCC3)c(F)c2)c1,GRBKNZKRDSAPEI-UHFFFAOYSA-N
-rxn:5:189080:226044:226052,COc1c([N+](=O)[O-])cc(F)c(F)c1-c1ccc(CC(=O)N(C)C)c(-c2c(F)ccc(OC(F)(F)F)c2F)c1,OATWRKDRFDTESH-UHFFFAOYSA-N
-rxn:5:189209:222985:227291,Cc1nc(C2CCCNC2)ccc1-c1cc(C(=O)ON2C(=O)CCC2=O)cc(-c2ccc(CN(C)C)c(F)c2)c1,KHVBYMQYBNPESN-UHFFFAOYSA-N
-rxn:5:189211:225394:227294,Cc1cnc(OC(C)C)c(-c2c(C(=O)ON3C(=O)CCC3=O)cccc2-c2cc(C3CCC3)cc(C3CC3)c2)c1,YQRHHDBEUPZVGV-UHFFFAOYSA-N
-rxn:5:189212:223016:223139,COC(=O)c1cc(-c2cc(C(=O)ON3C(=O)CCC3=O)ccc2-c2ccc(C3CCNCC3)nc2)cc2[nH]ccc12,OHHZWABFZVQXSH-UHFFFAOYSA-N
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-rxn:5:189320:225438:223144,CC(c1ccc(-c2cc(C(=O)OC(C)(C)C)cnc2-c2ccc(N3CCC(O)C3)cc2)cc1)N1CCCC1,IBRILZVRSHMQCV-UHFFFAOYSA-N
-rxn:5:189320:225439:223143,CC(c1cccc(-c2cc(C(=O)OC(C)(C)C)cnc2-c2cccc(N3CCC(O)C3)c2)c1)N1CCCC1,RFGPWVTXTVMMPR-UHFFFAOYSA-N
-rxn:5:189320:225439:223144,CC(c1cccc(-c2cc(C(=O)OC(C)(C)C)cnc2-c2ccc(N3CCC(O)C3)cc2)c1)N1CCCC1,ZBFCPWAYPZRVIV-UHFFFAOYSA-N
-rxn:5:189321:225438:223144,CC(c1ccc(-c2ccc(-c3ccc(N4CCC(O)C4)cc3)c(C(=O)OC(C)(C)C)n2)cc1)N1CCCC1,WYNMSBNVUVKINC-UHFFFAOYSA-N
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-rxn:5:189322:225438:223143,CC(c1ccc(-c2cnc(-c3cccc(N4CCC(O)C4)c3)c(C(=O)OC(C)(C)C)c2)cc1)N1CCCC1,WALQSYNDFOCLRP-UHFFFAOYSA-N
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-rxn:5:189323:225438:223143,CC(c1ccc(-c2cnc(-c3cccc(N4CCC(O)C4)c3)cc2C(=O)OC(C)(C)C)cc1)N1CCCC1,FZTCSTVZWJMZOW-UHFFFAOYSA-N
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-rxn:5:190194:227574:226146,COc1c(F)ccc(-c2cccc(CN3CCC(OC)CC3)c2-c2ccc(SC3CCCC3)cc2)c1OC,MIKARULSHBXJIE-UHFFFAOYSA-N
-rxn:5:190194:227710:223141,COC1CCN(Cc2cccc(-c3ccc(OS(C)(=O)=O)cc3)c2-c2cncc(C3CCNCC3)c2)CC1,NKFAPHPAONZJBA-UHFFFAOYSA-N
-rxn:5:190195:225976:223141,CN(Cc1ccc(-c2ccnc(N3CCOCC3)c2F)c(-c2cncc(C3CCNCC3)c2)c1)C1CCOCC1,LCYUUZGNDKMDDS-UHFFFAOYSA-N
-rxn:5:190195:226366:225976,CN(Cc1ccc(-c2ccnc(N3CCCCC3)c2)c(-c2ccnc(N3CCOCC3)c2F)c1)C1CCOCC1,PNJNQVPVQCFIIY-UHFFFAOYSA-N
-rxn:5:190196:225819:223231,CNC(=O)c1ccc(-c2cc(-c3cc(C(F)(F)F)ccc3C3CC3)ccc2CN(C)C2CCOCC2)cc1C,RCJGIXYPUGBAJU-UHFFFAOYSA-N
-rxn:5:190199:225881:223113,CN(Cc1cc(-c2ccc3c(c2)C(C)(C)C(=O)N3)ccc1-c1ccc(C2CCOCC2)nc1F)C1CCOCC1,UNFIYRTZEYBWEY-UHFFFAOYSA-N
-rxn:5:190200:225605:226395,Cc1cnc(OC2CCCC2)c(-c2cc(CN(C)C3CCOCC3)cc(-c3cncc(N4CCCCC4)c3)c2)c1,AHPHOIZDDMAXDP-UHFFFAOYSA-N
-rxn:5:190200:227700:227766,CCn1nc(C(F)(F)F)cc1-c1cc(CN(C)C2CCOCC2)cc(-c2cc(OC)ccc2[N+](=O)[O-])c1,JMVZAJXRDYTANM-UHFFFAOYSA-N
-rxn:5:190264:223006:228588,CC#Cc1cc(-c2ccc(CC(=O)N3CCC(C)CC3)cc2-c2ccc(F)c(C3CCNCC3)c2)ccn1,VGXBETMYSGCIFI-UHFFFAOYSA-N
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-rxn:5:190265:225809:225976,CC1CCCN(C(=O)Cc2ccc(-c3ccnc(N4CCOCC4)c3F)c(-c3cc(F)ccc3OC3CCOC3)c2)C1,WLYUAUSBEDYTAA-UHFFFAOYSA-N
-rxn:5:190265:225833:228577,CC#Cc1cncc(-c2ccc(CC(=O)N3CCCC(C)C3)cc2-c2ccnc(N3CCCCC3)c2F)c1,OCXASOQTFUCWKQ-UHFFFAOYSA-N
-rxn:5:190265:225833:228588,CC#Cc1cc(-c2ccc(CC(=O)N3CCCC(C)C3)cc2-c2ccnc(N3CCCCC3)c2F)ccn1,NDAJKLHFCLBRCN-UHFFFAOYSA-N
-rxn:5:190265:226364:227989,CC#Cc1ccc(F)c(-c2ccc(CC(=O)N3CCCC(C)C3)cc2-c2ccc(N3CCCCC3)nc2)c1,FWVSLIXFRNJYSO-UHFFFAOYSA-N
-rxn:5:190265:227989:225655,CC#Cc1ccc(F)c(-c2cc(CC(=O)N3CCCC(C)C3)ccc2-c2cncc(N3CCC(C)CC3)c2)c1,LWGWFWGKLZXQRP-UHFFFAOYSA-N
-rxn:5:190265:227989:226364,CC#Cc1ccc(F)c(-c2cc(CC(=O)N3CCCC(C)C3)ccc2-c2ccc(N3CCCCC3)nc2)c1,HACXJPOBHWLNCT-UHFFFAOYSA-N
-rxn:5:190265:228577:223065,CC#Cc1cncc(-c2cc(CC(=O)N3CCCC(C)C3)ccc2-c2ccc(N3CCNCC3)cc2F)c1,WVPRQUKCAZUPTO-UHFFFAOYSA-N
-rxn:5:190265:228588:223065,CC#Cc1cc(-c2cc(CC(=O)N3CCCC(C)C3)ccc2-c2ccc(N3CCNCC3)cc2F)ccn1,HDDGBAUMNPGPCE-UHFFFAOYSA-N
-rxn:5:190265:228588:225833,CC#Cc1cc(-c2cc(CC(=O)N3CCCC(C)C3)ccc2-c2ccnc(N3CCCCC3)c2F)ccn1,JSRDKMRBBMEUBV-UHFFFAOYSA-N
-rxn:5:190308:223284:226761,CSc1ccc(-c2ccc(-c3ccc(NS(C)(=O)=O)cc3)cc2CCN2CCCC(C)C2)c(C(F)(F)F)c1,USKXWEGUBTWBNL-UHFFFAOYSA-N
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-rxn:5:190337:225805:223171,COc1c(-c2ccc(C(C)N3CCOCC3)s2)cc(C(=O)N2CCC(C)CC2)cc1-c1c[nH]nc1-c1ccc(F)cc1,BGEPZNAKAIONLL-UHFFFAOYSA-N
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-rxn:5:190484:226085:227968,CC1(C)CCc2cc(-c3cccc(C(=O)N4CCC(c5ccccc5-c5cnccc5C5CCC5)S(=O)(=O)CC4)c3)ccc2O1,SIXYIEMHIIPJPL-UHFFFAOYSA-N
-rxn:5:190484:226583:223147,O=C(c1cccc(-c2ccc(CN3CCOCC3)s2)c1)N1CCC(c2ccccc2-c2ccc(C3CNCCO3)cc2)S(=O)(=O)CC1,VWVSKIWOJTYHAA-UHFFFAOYSA-N
-rxn:5:190484:227076:227084,CCC(C)c1ccc(F)c(-c2cccc(C(=O)N3CCC(c4ccccc4-c4ccc(C(C)(C)C)nc4C)S(=O)(=O)CC3)c2)c1,RFVXBUBEKYTRAO-UHFFFAOYSA-N
-rxn:5:190484:227501:227438,O=C(c1cccc(-c2ccc(C=C[N+](=O)[O-])cc2)c1)N1CCC(c2ccccc2-c2ccnc(C3CCOC3)c2)S(=O)(=O)CC1,AWGLVBJQRCBFAH-UHFFFAOYSA-N
-rxn:5:190484:227657:223146,O=C(c1cccc(-c2ccc(N3CCOCC3)s2)c1)N1CCC(c2ccccc2-c2cccc(C3CNCCO3)c2)S(=O)(=O)CC1,BCPZYHROTCTXMO-UHFFFAOYSA-N
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-rxn:5:190742:223058:225439,CCOC(=O)c1cnc2c(C)ccc(-c3cc(F)nc(C4CCCNC4)c3)c2c1-c1cccc(C(C)N2CCCC2)c1,QCWFPKVZMZIICA-UHFFFAOYSA-N
-rxn:5:190742:223065:225803,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(N4CCNCC4)cc3F)c2c1-c1ccnc(OC2CCOCC2)c1,DRQDYUBXRXOVFY-UHFFFAOYSA-N
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-rxn:5:190742:225833:225439,CCOC(=O)c1cnc2c(C)ccc(-c3ccnc(N4CCCCC4)c3F)c2c1-c1cccc(C(C)N2CCCC2)c1,MXQQOYGUQPTXAB-UHFFFAOYSA-N
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-rxn:5:193756:226745:225849,CCc1ncc(C(F)(F)F)cc1-c1ccc(C(=O)N2CCCCC2C)c(-c2cnc(N3CCCCC3)cc2F)c1,KBOCYEWUFXZHRZ-UHFFFAOYSA-N
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-rxn:5:193756:228339:225833,COC(=O)c1cnccc1-c1ccc(C(=O)N2CCCCC2C)c(-c2ccnc(N3CCCCC3)c2F)c1,QWIXKMWHFSDYDR-UHFFFAOYSA-N
-rxn:5:193808:227710:223063,CC1CCN(Cc2cc(-c3ccc(OS(C)(=O)=O)cc3)ccc2-c2cc(F)nc(C3CCNCC3)c2)CC1,VUEDNPSGNJWVIU-UHFFFAOYSA-N
-rxn:5:193866:225886:226211,CC(=O)N1CCc2cc(-c3cc(C4(N5CCC(=O)CC5)CC4)ccc3-c3ccc4c(ccn4S(C)(=O)=O)c3)ccc21,XBDFTCSUFFXGTD-UHFFFAOYSA-N
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-rxn:5:193866:227592:226907,COc1cc(F)cc(-c2ccc(C3(N4CCC(=O)CC4)CC3)cc2-c2cccc3c2CCC32CC2)c1OC,PPHMXHJUZJIACR-UHFFFAOYSA-N
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-rxn:5:193867:226441:227560,COc1ccc(-c2cc(-c3ccc(N4CCCC4)cc3F)cc(C3(N4CCC(=O)CC4)CC3)c2)cc1C(F)F,QTBKSYSSUVOHCR-UHFFFAOYSA-N
-rxn:5:193867:228443:226739,CSc1c(F)ccc(-c2cc(-c3ccc(C(C)=O)c([N+](=O)[O-])c3)cc(C3(N4CCC(=O)CC4)CC3)c2)c1F,JOGRRWBMOPNSDX-UHFFFAOYSA-N
-rxn:5:193869:222958:228868,COC(=O)c1ccc(-c2cc(S(=O)(=O)N3CCCCC3)c(-c3ccc(C)c(C4CCNCC4)c3)cc2C)s1,KSPTYIRHBBDGNK-UHFFFAOYSA-N
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-rxn:5:193869:226155:227052,CC(=O)c1cc(-c2cc(C)c(-c3ccc(SC(C)(C)C)cc3)cc2S(=O)(=O)N2CCCCC2)cc(C2CC2)c1,HMJLWTFCJVZNNV-UHFFFAOYSA-N
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-rxn:5:193932:226762:225886,CSc1cc(-c2cc(C(=O)N3CC(C)CC(C)C3)ccc2-c2ccc3c(ccn3S(C)(=O)=O)c2)cc(C(F)(F)F)c1,WBEFAXIBGMXASU-UHFFFAOYSA-N
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-rxn:5:193968:225886:226058,CC(C)c1cccc(C(C)C)c1-c1ccc(-c2ccc3c(ccn3S(C)(=O)=O)c2)cc1CN1CCC2(CC1)OCCO2,POFBYYMXQNHUMS-UHFFFAOYSA-N
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-rxn:4:174528:222909,COc1ccc(C)c(-c2c(C(C)C)cc(C(C)C)cc2C(C)C)c1-c1ccnc(NC(=O)OC(C)(C)C)c1,CCPWRWQPDLMMHL-UHFFFAOYSA-N
-rxn:4:174604:222813,COC(=O)C(C)Oc1ccc2c(c1)OC(=Cc1ccccc1-c1cnc(NC(=O)OC(C)(C)C)c(Cl)c1)C2=O,HFWXMJNHESBMTL-UHFFFAOYSA-N
-rxn:4:174655:224566,CCCCCOc1cc2c(cc1-c1ccc(C3(C(=O)OC)CCCC3)cc1)C(C)(C)CCC2(C)C,YAXRJOIAKNKMRJ-UHFFFAOYSA-N
-rxn:4:174655:225313,CCCCCOc1cc2c(cc1-c1ccc(N3CCN(C)CC3)nc1F)C(C)(C)CCC2(C)C,XIHYVCUOQAJOAA-UHFFFAOYSA-N
-rxn:4:174656:222785,CC(C)[Si](C#Cc1cccc2cccc(-c3ccc(F)c(NC(=O)OC(C)(C)C)c3)c12)(C(C)C)C(C)C,QIYSKPDWKGTFMK-UHFFFAOYSA-N
-rxn:4:174685:223500,C#Cc1cc(F)c(OCC(F)(F)F)c(-c2ccc(F)c(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)c1,WWUKSYQHNGJIJL-UHFFFAOYSA-N
-rxn:4:175247:223671,COc1cc(-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)ccc1OCC1CC1,QPTBLQWNPTUZCP-UHFFFAOYSA-N
-rxn:4:175316:223559,COC(=O)c1cc(OC(C)C)cc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)c1,XVVXPKGWRPYQNP-UHFFFAOYSA-N
-rxn:4:176085:223557,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc(CO[Si](C)(C)C(C)(C)C)cc3)c(F)ccc21,WFQVUOOGWOWCPD-UHFFFAOYSA-N
-rxn:4:176092:223810,Cc1cc(-c2ccc(Cl)cc2CO[Si](C)(C)C(C)(C)C)cc(C)c1S(=O)(=O)N1CCC(C)CC1,CLXITBUZTGXYPG-UHFFFAOYSA-N
-rxn:4:176101:224827,COC(=O)c1ccc(OC(F)(F)F)cc1-c1c(F)cc(CO[Si](C)(C)C(C)(C)C)cc1F,BBBFZECPJSTKKD-UHFFFAOYSA-N
-rxn:4:176131:223636,CC(C)(C)OC(=O)N1CCCC(c2ccc(-c3cc(SC(C)(C)C)cc(SC(C)(C)C)c3)cc2)C1,KSXDTSNXZNFEKK-UHFFFAOYSA-N
-rxn:4:176147:222584,O=S(=O)(Oc1ccc(C2SCCCS2)cc1)c1ccc(-c2ccc(OCCCN3CCNCC3)c(F)c2)cc1,SQLOXQMNJXVQPC-UHFFFAOYSA-N
-rxn:4:176322:227045,CCC1(CC)CC(C)(C)c2c1cc1c(c2-c2cccc(SC(C)(C)C)c2)C(C)(C)CC1(CC)CC,ABTGZWWTUSHOAI-UHFFFAOYSA-N
-rxn:4:176576:223574,COC(=O)Cc1ccc(-c2cccc(CN3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1F,LXXUXHNPGJLTFX-UHFFFAOYSA-N
-rxn:4:176712:222514,COc1ccc(-c2ccc(OC)c(F)c2C(=O)C(F)(F)F)cc1S(=O)(=O)NC1CCCCC1,IJFSSYKJZVSGQM-UHFFFAOYSA-N
-rxn:4:176715:223644,CCOC(=O)C1CCCN(C(=O)c2ccc(-c3cc(C(=O)OC)c(Cl)cc3C(F)(F)F)cc2)C1,XMUKMWSHIKBXSM-UHFFFAOYSA-N
-rxn:4:177403:223928,CC(C)(C)OC(=O)N1CCc2ncc(-c3cc(OC(F)(F)F)cc(C4OCCO4)c3)cc2C1,FZARMKCYRNHCAD-UHFFFAOYSA-N
-rxn:4:177703:223593,COC(=O)c1ccc(C(C)C)c(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c(Cl)c2)c1,NKUWUDIXEGYMQL-UHFFFAOYSA-N
-rxn:4:178179:223559,COC(=O)C1(c2cccc(-c3ccc4c(c3)C(C)=CC(C)(C)N4C(=O)OC(C)(C)C)c2)CCCC1,TTWCSNHJHNEPTC-UHFFFAOYSA-N
-rxn:4:178179:223847,CCCCCC1CCC(c2ccc(-c3cccc(C4(C(=O)OC)CCCC4)c3)cc2)CC1,JVOPFOFRRULUHL-UHFFFAOYSA-N
-rxn:4:178295:224082,CCC(C(=O)OC(C)(C)C)c1cccc(-c2ccc(Cl)cc2C2(C(=O)OC)CCC(=O)CC2)c1,PKSALIPPYGNONL-UHFFFAOYSA-N
-rxn:4:178327:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(C4(C(=O)OC)CCCCC4)cc3)cc2)CC1,CNSSPPIHUZHMKK-SOAUALDESA-N
-rxn:4:178369:223567,CC(C)Oc1ccc2c(c1)cc(-c1c(C(C)C)cc(C(C)C)cc1C(C)C)n2C(=O)OC(C)(C)C,WFFJWNPZULQCOC-UHFFFAOYSA-N
-rxn:4:178381:222717,Cc1cc(-c2c(C(C)(C)C)cc(C(C)(C)C)cc2C(C)(C)C)c(S(=O)(=O)NC(C)(C)C)cc1F,ZVKKZEZBGPHINK-UHFFFAOYSA-N
-rxn:4:178384:228411,COc1ccc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c(F)c1F,OILJBBGNHIEKKJ-UHFFFAOYSA-N
-rxn:4:178384:228873,CN(C)c1ncc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)cn1,OFYMPQXIVXZADR-UHFFFAOYSA-N
-rxn:4:178585:225104,CCN(CC)C(=O)c1ccc(F)c(-c2ccc3c(c2)C(O[Si](C)(C)C(C)(C)C)CCO3)c1,RRQBRQSNRHMQLB-UHFFFAOYSA-N
-rxn:4:178597:223944,Cc1c(Cl)cc2c(cnn2C2CCCCO2)c1-c1ccc(OC(=O)C2OC3OC(C)(C)OC3C3OC(C)(C)OC23)cc1,ZEUBIIMGVGTYAF-UHFFFAOYSA-N
-rxn:4:178597:225638,CC1CCN(c2ccc(-c3ccc(OC(=O)C4OC5OC(C)(C)OC5C5OC(C)(C)OC45)cc3)cn2)CC1,FWILXPPRXWSQET-UHFFFAOYSA-N
-rxn:4:178597:225647,Cc1cnn(-c2ccc(-c3ccc(OC(=O)C4OC5OC(C)(C)OC5C5OC(C)(C)OC45)cc3)c(C)c2)c1,MKEXSZOYJVEPJT-UHFFFAOYSA-N
-rxn:4:178597:226341,COc1cc(F)c(C(C)C)cc1-c1ccc(OC(=O)C2OC3OC(C)(C)OC3C3OC(C)(C)OC23)cc1,DJNBKURUAPHDFI-UHFFFAOYSA-N
-rxn:4:178597:227939,COC(C)c1ccccc1-c1ccc(OC(=O)C2OC3OC(C)(C)OC3C3OC(C)(C)OC23)cc1,SMPXTXAULPNHMD-UHFFFAOYSA-N
-rxn:4:178597:229286,Cn1ccc(-c2ccc(OC(=O)C3OC4OC(C)(C)OC4C4OC(C)(C)OC34)cc2)c1,SJNQHEBXGDNXSE-UHFFFAOYSA-N
-rxn:4:179290:223595,CS(=O)c1ccc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c(F)c2)cc1C(F)(F)F,QQFJFIXQJWSCDC-UHFFFAOYSA-N
-rxn:4:179631:223534,CC(C)(C)OC(=O)N1CCC(Oc2cc(-c3cc(C4CC4)cc(C(F)(F)F)c3)c(F)cn2)CC1,XPPDMAAZAUHSHJ-UHFFFAOYSA-N
-rxn:4:180034:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3ccc(C4OCCO4)c(F)c3OC)c2)CC1,GFTLTLIGQRONBZ-UHFFFAOYSA-N
-rxn:4:180182:223497,CC(c1ccc(-c2ccc(S(=O)(=O)C(C)(C)C)cc2)cc1)N1CCC(O[Si](C)(C)C(C)(C)C)CC1,POVNQCQBNQIYMG-UHFFFAOYSA-N
-rxn:4:180394:223712,COc1ccc(-c2cc(C3CCCO3)ccc2C2CC2)cc1C12CC3CC(CC(C3)C1)C2,FXMIYDQEXNDVFB-UHFFFAOYSA-N
-rxn:4:180422:223789,COC(=O)c1cc(O[Si](C)(C)C(C)(C)C)cc(-c2ccc(CC3CCCCC3)cc2Cl)c1,FJOBHZRUDAWRIP-UHFFFAOYSA-N
-rxn:4:180490:222389,c1cc(C2CCOCC2)c(C2CC2)cc1-c1cc(C2CCNCC2)nc(C2CCNCC2)c1,CVSQDDGPDASVRF-UHFFFAOYSA-N
-rxn:4:180855:223885,CC(C)(C)OC(=O)N1CCc2ccc(-c3ccc4c(c3)C3(c5ccccc5-4)c4cc(C(C)(C)C)ccc4-c4ccc(C(C)(C)C)cc43)cc2C1,RGWPJETWSXWOSJ-UHFFFAOYSA-N
-rxn:4:180855:223972,CC1CCCCN1c1ccc(-c2ccc3c(c2)C2(c4ccccc4-3)c3cc(C(C)(C)C)ccc3-c3ccc(C(C)(C)C)cc32)c(C(F)(F)F)c1,JFUSAJRBAGMWTD-UHFFFAOYSA-N
-rxn:4:181642:223602,Cc1c(-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2Cl)ccc(C(F)(F)F)c1C,RUWOMUCJEBQXKP-UHFFFAOYSA-N
-rxn:4:181993:223493,Cc1ccc(-c2c(F)cccc2-c2cc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)ccc2C)cc1F,JFLHGBTVVNAFRR-UHFFFAOYSA-N
-rxn:4:182091:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3c(C)cc(C(C)(C)C)cc3C)cc21,LZERSRDELFJLNI-UHFFFAOYSA-N
-rxn:4:182371:223712,COc1ccc(-c2cc3c(c(C(C)C)c2)OC(C)(C)CC3)cc1C12CC3CC(CC(C3)C1)C2,DKGMUENDGCFSIS-UHFFFAOYSA-N
-rxn:4:182376:224705,CO[C@H]1[C@H](C)C[C@@]2(Cc3ccc(-c4ccc(N5CCC(C)CC5)c(F)c4F)cc3C2=O)C[C@@H]1C,ASBJDZZQUKCLAR-UBHXRJOGSA-N
-rxn:4:182376:225814,CO[C@H]1[C@H](C)C[C@@]2(Cc3ccc(-c4cccc(C5(C(F)(F)F)CC5)c4)cc3C2=O)C[C@@H]1C,CRQKBPGFNQBCHU-SRNYSXGOSA-N
-rxn:4:182681:223506,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cccc(-c3ccc4c(c3)OC(F)(F)O4)c2)CC1,PNVQMQLRBYBYDU-UHFFFAOYSA-N
-rxn:4:183086:223500,CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(-c3cccc4c3CCC(F)(F)C4=O)ccc2F)CC1,GDKMRCXQEDIYMU-UHFFFAOYSA-N
-rxn:4:183272:227112,Cc1cc(C2CC2)c(Cl)cc1-c1ccc2c(c1)OCCOCCOCCOCCOCCO2,FDUISVUWROYYFP-UHFFFAOYSA-N
-rxn:4:183273:223958,CCN1CCN(C(=O)c2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc2F)CC1,RCRKXLXSCVDDAE-UHFFFAOYSA-N
-rxn:4:183273:227964,CC1(c2cncc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)c2)CC1,PEINGUASCOHBLS-UHFFFAOYSA-N
-rxn:4:183273:228426,COc1cc(Cl)cc(F)c1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,CZCFQDIVVWARCG-UHFFFAOYSA-N
-rxn:4:183274:223459,Cc1cn[nH]c1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCOCCO2,KKOPERDAIUVQMN-UHFFFAOYSA-N
-rxn:4:183274:224915,Cc1cc(N2CCCCC2C)ccc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCOCCO2,LCFCBSYZHJMZGR-UHFFFAOYSA-N
-rxn:4:183274:227208,Cc1c(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCOCCO3)sc2ccc(Cl)cc12,AQHRTFPBBJJRNJ-UHFFFAOYSA-N
-rxn:4:183274:228103,CC(C)Cc1ncc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCOCCO3)cn1,YBJGMZOQRHVXNG-UHFFFAOYSA-N
-rxn:4:183274:228815,CSc1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCOCCO3)c(Cl)c1,HRAMKZRRUZYQKK-UHFFFAOYSA-N
-rxn:4:183496:224778,CCOC(=O)Cc1cc(C(F)F)cc(-c2c(F)cc(OC3CCOCC3)cc2F)c1C#N,PGFLODPWDMHCHI-UHFFFAOYSA-N
-rxn:4:183520:222614,CCOC(=O)Cc1c(-c2ccc(S(=O)(=O)NC3CC3)cc2C(F)(F)F)cc(C#N)cc1C(F)(F)F,WFNQMBOSDCINIT-UHFFFAOYSA-N
-rxn:4:183523:223992,CCOC(=O)Cc1c(C#N)ccc(C(F)(F)F)c1-c1ccc(C)c(S(=O)(=O)N2CCN(C)CC2)c1,UCBWOFUDAICOQX-UHFFFAOYSA-N
-rxn:4:183548:222546,CCOC(=O)Cc1ccc(OC)c(C#N)c1-c1ccc(OCCNC2CCCCC2)c(F)c1,HQQHJEGDKFETEE-UHFFFAOYSA-N
-rxn:4:183559:222603,CCOC(=O)Cc1cc(OC)cc(-c2cc(OC)c(NC(=O)OC(C)(C)C)cc2Cl)c1C#N,PDHWALHNPJRNDS-UHFFFAOYSA-N
-rxn:4:183611:223540,COC(=O)c1ccc(COc2ccc(-c3cc(S(=O)(=O)N4CCC5(CC4)OCCO5)ccc3OC)cc2[N+](=O)[O-])o1,XPSOKPILSFOHMN-UHFFFAOYSA-N
-rxn:4:183629:224082,CCC(C(=O)OC(C)(C)C)c1cccc(-c2ccc(C#N)cc2OC(C(=O)OC)C(C)C)c1,XVQDOTQNKZKJSF-UHFFFAOYSA-N
-rxn:4:183653:223970,CCN(CC)CCOc1ccc(-c2ccc(C)c(S(=O)(=O)N3CCC(C)CC3)c2)cc1F,XSEHASCZYNLARY-UHFFFAOYSA-N
-rxn:4:183661:222680,CCN(CC)Cc1ccc(-c2cccc(NC(=O)OC(C)(C)C)c2OC)cc1OC(F)(F)F,BJVYSFORMRNQHI-UHFFFAOYSA-N
-rxn:4:183668:224883,CC(c1ccc(-c2ccc(C(=O)C(C#N)C(=O)OC(C)(C)C)cc2)cc1)N1CCCCC1,ODFALXIEXDHJRR-UHFFFAOYSA-N
-rxn:4:183729:225753,COC(=O)c1cnc(C2CC2)c(-c2cc(OC(F)(F)F)ccc2OCC(=O)N2CCOCC2)c1,HMJWWAWYBDAQIE-UHFFFAOYSA-N
-rxn:4:183743:222604,CCCCOc1cc(-c2ccc(OC)c(S(=O)(=O)NC3CCCC3)c2)ccc1C(=O)N1CCC1,KHRJQRRERVLXNA-UHFFFAOYSA-N
-rxn:4:183743:222657,CCCCOc1cc(-c2ccc(F)c(C(=O)NC3CCCCC3)c2)ccc1C(=O)N1CCC1,RTTJKBZWCUVNPD-UHFFFAOYSA-N
-rxn:4:183778:223699,CCCN(C(=O)OC(C)(C)C)c1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2C(F)(F)F)cc1,IYTRBRNFALIVAG-UHFFFAOYSA-N
-rxn:4:183779:223693,CN(CCc1ccc(-c2cc(O[Si](C)(C)C(C)(C)C)cc(C(F)(F)F)c2F)cc1)C(=O)OC(C)(C)C,DOFLYWSVMVNKCY-UHFFFAOYSA-N
-rxn:4:183785:222770,CCCN(C(=O)OC(C)(C)C)c1ccc(-c2ccc(C(=O)NC3CCCC3)c(Cl)c2)c(Cl)c1,XWJXNYOFEQFRRH-UHFFFAOYSA-N
-rxn:4:183831:223072,CCCNS(=O)(=O)c1ccc(-c2cc(F)ccc2CN(C(=O)OC(C)(C)C)C2CC2)cc1,DQFAYQMHCVMMOP-UHFFFAOYSA-N
-rxn:4:183832:222883,CC(C)(C)NC(=O)c1ccc(-c2c(F)cccc2CN(C(=O)OC(C)(C)C)C2CC2)c(Cl)c1,YXNXFUFSRUCEBV-UHFFFAOYSA-N
-rxn:4:183832:225311,CC(C)(C)OC(=O)N(Cc1cccc(F)c1-c1cc(C(F)(F)F)c(C2CC2)cc1Cl)C1CC1,XXQHQZSNWMRCPJ-UHFFFAOYSA-N
-rxn:4:183872:225369,COCCOc1cc(-c2cc(C(=O)OC)cc([N+](=O)[O-])c2Cl)ccc1C(=O)N1CCCCC1,QFFLMJPJNDJFED-UHFFFAOYSA-N
-rxn:4:183875:225387,CC(C)(C)OC(=O)N1CC(COc2ccc(-c3cc([N+](=O)[O-])cc(C(F)(F)F)c3F)cc2Cl)C1,RBNJVNYMMBXBKB-UHFFFAOYSA-N
-rxn:4:183886:226284,CC(C)COc1cc(Cl)cc(-c2ccccc2OCCCN2CCC(C(F)(F)F)CC2)c1,VWBFUYZKYDHPQM-UHFFFAOYSA-N
-rxn:4:183896:222819,COc1ccc(-c2ccc(NC(=O)N3CCOCC3)nc2)c(C(=O)N2CC(S(=O)(=O)Cc3ccco3)C2)c1,XJPZFZVIJQBCOW-UHFFFAOYSA-N
-rxn:4:183907:225047,CCCCN(C(=O)c1ccccc1-c1cnc(N2CCC(C)CC2)c(C)c1)C1CCS(=O)(=O)C1,PXQOQJDPEOKYOS-UHFFFAOYSA-N
-rxn:4:183913:223835,Cc1cc(F)c(-c2cc(OC(F)(F)F)ccc2OCCN2CCCCC2C)cc1S(=O)(=O)N1CCC(C)CC1,OCNAYEFULWSEKW-UHFFFAOYSA-N
-rxn:4:183923:222856,COc1ccc(C2CCNCC2)cc1-c1ccc(OCC(=O)N(c2ccccc2)C2C=CS(=O)(=O)C2)cc1,WKQCGMDPXGQDMV-UHFFFAOYSA-N
-rxn:4:183931:222637,Cc1cc(CN(C(=O)OC(C)(C)C)C2CC2)cc(-c2ccc(C(C)NC(=O)OC(C)(C)C)cc2)c1,BYOFLVZHSHINNG-UHFFFAOYSA-N
-rxn:4:183933:223093,Cc1c(CN(C(=O)OC(C)(C)C)C2CC2)cccc1-c1cncc(NS(=O)(=O)C(C)C)c1,IJFBXWMGEDLKLR-UHFFFAOYSA-N
-rxn:4:183958:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2ccc(OCC3CCN(C(=O)OC(C)(C)C)C3)cc2)cc1,OHEWTNRDKRQIIP-UHFFFAOYSA-N
-rxn:4:183960:222721,Cc1cc(OCC2CN(C(=O)OC(C)(C)C)C2)ccc1-c1cc(C2CCNCC2)nc(C(F)(F)F)c1,NIXZIUDAJGKWDL-UHFFFAOYSA-N
-rxn:4:183961:223572,CC1CCN(S(=O)(=O)c2ccc(-c3ccc(OC[C@@H]4CCCN4C(=O)OC(C)(C)C)cc3)c3ccccc23)CC1,XJHGAXYVYHXOGE-VWLOTQADSA-N
-rxn:4:183962:224653,Cc1cc(OCC2CN(C(=O)OC(C)(C)C)C2)cc(-c2ccc(Cl)cc2OCC2CCCCO2)c1,UGTWYSWKSZEVMC-UHFFFAOYSA-N
-rxn:4:183965:225752,COC(=O)c1cc(OCCN2CCCC(C)C2)cc(-c2cc(C(=O)OC)cnc2C(C)C)c1,NFQLKTZWWXKWKP-UHFFFAOYSA-N
-rxn:4:183985:226716,CC(C)[Si](Oc1ccc(-c2ccn(C(=O)OC(C)(C)C)n2)c(C#N)c1)(C(C)C)C(C)C,OESVNUXJKVYBAB-UHFFFAOYSA-N
-rxn:4:184049:225434,COc1ccc(-c2cccc(OCC3CCCC3)c2)c(C(=O)N2CCC(S(=O)(=O)Cc3ccco3)CC2)c1,LIBVFXRPDXSAKU-UHFFFAOYSA-N
-rxn:4:184065:224915,Cc1cc(N2CCCCC2C)ccc1-c1ccc(CN(C(=O)OC(C)(C)C)C2CCCCC2)cc1,KRSVZQYSNGRIGF-UHFFFAOYSA-N
-rxn:4:184074:224882,CCc1ccc(CN(C(=O)c2ccccc2-c2ccc(CN3CCCCCC3)cc2)C2CCS(=O)(=O)C2)cc1,IQHBTEWCFLZOHH-UHFFFAOYSA-N
-rxn:4:184085:224278,Cc1c(OCC2CCN(C(=O)OC(C)(C)C)CC2)cccc1-c1cnc2c(ccn2C(=O)OC(C)(C)C)c1,NBOMIPGDWWFERP-UHFFFAOYSA-N
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-rxn:4:185325:225234,CC(C)Oc1cccc(-c2ccc(N3CCCCC3)c(F)c2F)c1CN1CCCC(C(F)(F)F)C1,QCDUOXPJDGHSTA-UHFFFAOYSA-N
-rxn:4:185351:224065,CC(C)CS(=O)(=O)C1CCN(C(=O)c2ccccc2-c2cc(C3CC3)cc(N3CCC(C)CC3)c2)CC1,YKWDVTYYPOBVII-UHFFFAOYSA-N
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-rxn:4:185362:224742,COc1cc(OC)c(C2OCCO2)cc1-c1ccc(CN2CCCC(C(F)(F)F)C2)c(Oc2ccccc2)c1,HKDZMSQMCSGOTQ-UHFFFAOYSA-N
-rxn:4:185366:223645,CCOC(=O)C1CCCN(C(=O)c2cccc(-c3ccc(-c4ccc(C=C5SC(=S)N(CCc6ccccc6)C5=O)o4)cc3)c2)C1,PIEKLUTZCDHEJH-UHFFFAOYSA-N
-rxn:4:185368:224391,Cc1cc(S(=O)(=O)N2CCOCC2)ccc1-c1ccc(OCC(=O)N2CCCCC2)c(C(C)(C)C)c1,PTKFCELVOQIIKD-UHFFFAOYSA-N
-rxn:4:185392:225382,Cc1cc(OC2CCN(C(=O)Cc3ccc(-c4cc(C(F)(F)F)ccc4C(F)(F)F)cc3)CC2)cc(=O)o1,CJUNAMREYWLZPU-UHFFFAOYSA-N
-rxn:4:185396:223666,O=C(Cc1ccc(-c2cccc(COc3ccc(OC(F)(F)F)cc3)c2)cc1)N1CCC(S(=O)(=O)c2ccc(F)cc2)CC1,WBJSIAAICGLBKM-UHFFFAOYSA-N
-rxn:4:185409:224741,COc1cc(C2OCCO2)cc(OC)c1-c1cc(C2CC2)cc(C2CCN(C(=O)OC(C)(C)C)C2)c1,OOEMDVWWULNTLQ-UHFFFAOYSA-N
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-rxn:4:185446:223287,CNS(=O)(=O)c1ccc(-c2ccc(C(C)N3CCC(O[Si](C)(C)C(C)(C)C)CC3)cc2)cc1,WVUMTLGLCNSLOZ-UHFFFAOYSA-N
-rxn:4:185465:224703,COC(=O)c1cc2sc(-c3cc(C4CCCC4)cc(C(F)(F)F)c3)cc2n1C(=O)OC(C)(C)C,NIIJCVZAKHGFLR-UHFFFAOYSA-N
-rxn:4:185491:224120,CON=CC(C)C(=O)c1ccc2c(-c3ccc(CO[Si](C)(C)C(C)(C)C)c(C)c3)c(OC)ccc2c1,YVUBDRJIGCHHLC-UHFFFAOYSA-N
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-rxn:4:185726:223839,COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1ccc([N+](=O)[O-])c(OCC(F)F)c1,UVHSLDLIRNNZPR-UHFFFAOYSA-N
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-rxn:4:186194:223897,CCS(=O)(=O)n1cc(-c2ccc(C)c(OCCCN3CCOCC3)c2)cc1C(=O)OC,ZPJKPGFHBHVRPY-UHFFFAOYSA-N
-rxn:4:186236:223542,COOC(=O)c1cc(-c2ccc(-c3ccc(OC(F)(F)F)c(S(=O)(=O)N4CCN(C)CC4)c3)cc2)no1,GCVIGVIDPXQOPA-UHFFFAOYSA-N
-rxn:4:186441:223689,CCOc1cc(-c2ccc(OC)c(S(=O)(=O)N3CCN(CC)CC3)c2)cnc1OC(C)C,NAVGZUOMXGBQLG-UHFFFAOYSA-N
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-rxn:4:186658:223993,COc1ccc(C(=O)ON2C(=O)CCC2=O)cc1-c1ccc(S(=O)(=O)N2CCN(C)CC2)c(C)c1,XFMMUMSRPFAMHK-UHFFFAOYSA-N
-rxn:4:186687:223644,CCOC(=O)C1CCCN(C(=O)c2ccc(-c3cccc(OCC(=O)N4CCCC4)c3)cc2)C1,UZVQXYCGPMDJLR-UHFFFAOYSA-N
-rxn:4:186747:223976,COC1CN(C(=O)c2c(-c3cc(OC4CCCC4)cc(OC(F)(F)F)c3)cccc2C(F)(F)F)C1,LKFLRQFOWVOAGW-UHFFFAOYSA-N
-rxn:4:186873:224182,Cc1cc(-c2ccc(OCCN3CCOCC3)c(F)c2)ccc1OCCN1CCOCC1,HWQDEOLEMAQANH-UHFFFAOYSA-N
-rxn:4:186910:223645,CCOC(=O)C1CCCN(C(=O)c2cccc(-c3ccc(C(F)(F)F)cc3/C=N/S(=O)C(C)(C)C)c2)C1,LLCUOHIYAIVUKD-WCMJOSRZSA-N
-rxn:4:186973:224660,CN1CCN(C(=O)c2ccc(-c3ccc(OCC(=O)N4CCCCC4)c(Cl)c3)cc2)CC1,YUYVOTJLBUTHIB-UHFFFAOYSA-N
-rxn:4:186979:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2ccc(C(=O)N3CCCCC3)cc2OC(F)F)cc1,MMKCOMKIGQIICH-UHFFFAOYSA-N
-rxn:4:186980:224081,CC(C)(C)[Si](C)(C)OCCc1ccccc1-c1cc(OC(F)F)cc(C(=O)N2CCCCC2)c1,MVTWTCOADJDKSJ-UHFFFAOYSA-N
-rxn:4:187027:223180,CONC(=O)c1ccc(-c2cc(OC(F)(F)F)cc(C(=O)N3CCC(F)(F)CC3)c2)cc1F,YWJDGKPAOHYFAW-UHFFFAOYSA-N
-rxn:4:187083:223927,C[Si](C)(C)CCOCn1c(-c2ccc(CN3CCCCC3)c(OC(F)(F)F)c2)cc2cccnc21,AYRRMZZPHWXYQW-UHFFFAOYSA-N
-rxn:4:187093:225304,CC(C)(C)c1ncc(C(F)(F)F)cc1-c1ccc(S(=O)(=O)N2CCCCC2)c(OC(F)(F)F)c1,SDUKIZRAJBXGLF-UHFFFAOYSA-N
-rxn:4:187129:224634,COc1ccc(-c2ccccc2S(=O)(=O)CC(=O)N2CCCCC2)cc1CN1CCOCC1,OXQOXCZZBFMGJB-UHFFFAOYSA-N
-rxn:4:187142:223929,CCN1C(=O)C(=Cc2cc(OC)c(OC)cc2-c2cnc3c(c2)CCN(C(=O)OC(C)(C)C)C3)SC1=S,OXTOTBYDQXOWKR-UHFFFAOYSA-N
-rxn:4:187154:226000,CC(=O)Oc1ccc(-c2ccc(S(=O)(=O)CC(=O)N3CCC(F)(F)CC3)cc2)cc1[N+](=O)[O-],IZAJIUNJBLOBOL-UHFFFAOYSA-N
-rxn:4:187155:223524,COc1ccc2c(c1)c(-c1ccccc1S(=O)(=O)CC(=O)N1CCCC(F)(F)C1)cn2S(=O)(=O)c1ccc(C)cc1,CYVQQQDDGCERFE-UHFFFAOYSA-N
-rxn:4:187190:224752,Cc1cc(S(=O)(=O)N2CCCC2)ccc1-c1cccc(C2CN(C(=O)OC(C)(C)C)C2)c1,UATDGNGXSGJSQF-UHFFFAOYSA-N
-rxn:4:187200:224490,COC(=O)c1ccc(-c2ccccc2OCCN2CCCCC2)c(CN2CCCCC2)c1,CWHOAUSHLQOWRA-UHFFFAOYSA-N
-rxn:4:187201:222638,CC(NC(=O)OC(C)(C)C)c1cccc(-c2ccc(C3CCN(C(=O)OC(C)(C)C)C3)o2)c1,ADCUQHSFAWBRMI-UHFFFAOYSA-N
-rxn:4:187208:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2cc(Cl)cc(C3CN(C(=O)OC(C)(C)C)C3)c2)cc1,OHHJDGPPGZSPNX-UHFFFAOYSA-N
-rxn:4:187212:223103,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc(C3CN(C(=O)OC(C)(C)C)C3)cc2F)s1,QEIGZEYKAYFZCT-UHFFFAOYSA-N
-rxn:4:187221:224962,CC(C)(C)OC(=O)N1CC(c2ccc(F)cc2-c2ccccc2COC2CCOCC2)C1,ZGYGBXNVEKRHAW-UHFFFAOYSA-N
-rxn:4:187246:225382,COC(=O)c1cc(-c2cc(C(F)(F)F)ccc2C(F)(F)F)ccc1CN1CCCC(F)(F)C1,XPCRUEVJULSTOT-UHFFFAOYSA-N
-rxn:4:187251:223846,Cc1cc(-c2ccc(F)c(CCN3CCCC(C(F)(F)F)C3)c2)cc(C2CC3CCC2(C)C3(C)C)c1,BAKVCIHRRTWUJL-UHFFFAOYSA-N
-rxn:4:187252:225925,Cc1ccc(S(=O)(=O)N(C)C)cc1-c1ccc(F)c(CCN2CCC(C(F)(F)F)CC2)c1,FRPWQQRAQKEQHV-UHFFFAOYSA-N
-rxn:4:187310:223939,CC1CCCCN1CCOc1c(F)cc(Cl)cc1-c1ccc2c(c1)N(C(=O)OC(C)(C)C)CCO2,KWDYLEADUJBMEJ-UHFFFAOYSA-N
-rxn:4:187322:222967,CC(C)CNC(=O)c1cccc(-c2cc(CN3CCC(C)CC3)ccc2OC(F)(F)F)c1,ODGDPHYDAOVHFB-UHFFFAOYSA-N
-rxn:4:187346:224251,CC1CCCN(C(=O)c2ccc(-c3ccc(N(C(=O)c4ccccc4)C4C=CS(=O)(=O)C4)cc3)c(F)c2)C1,FPIFLAADVBWIMI-UHFFFAOYSA-N
-rxn:4:187357:224588,COc1cc(-c2cc(F)cc(CN3CCC(C)CC3)c2)cc(OC)c1CN1CCCCC1,UCLIHZVEQYILKC-UHFFFAOYSA-N
-rxn:4:187389:226533,CCOC(=O)c1cc(F)ccc1-c1ccc(CC(=O)N2CCCC(C(F)(F)F)C2)cc1C,AWXSQZSSLLFGPT-UHFFFAOYSA-N
-rxn:4:187395:224364,CCOc1ccc(N2C(=O)C(=Cc3ccc(-c4cc(OCC(C)C)cc(OC(F)(F)F)c4)cc3)SC2=S)cc1,MLHPRMPJENHPIP-UHFFFAOYSA-N
-rxn:4:187398:224364,CC(C)COc1cc(OC(F)(F)F)cc(-c2cccc(CN(C)CC3CCCCC3)c2)c1,LWOVMOUOLIKOOT-UHFFFAOYSA-N
-rxn:4:187405:224724,CCN(CC)S(=O)(=O)c1ccc(C)c(-c2ccc(OCC(=O)N3CCC(C)CC3)cc2C)c1,XGMJJLGRWSNFMY-UHFFFAOYSA-N
-rxn:4:187406:225301,Cc1cc(-c2cc(OC3CCOCC3)ncc2F)ccc1OCC(=O)N1CCC(C)CC1,RJIDPFLIUPHEIK-UHFFFAOYSA-N
-rxn:4:187407:222699,CCOc1ccc(-c2ccc(C3CCCNC3)c(C(F)(F)F)c2)cc1C(=O)N1CCC(C)CC1,YCCDCLCGVCLXAA-UHFFFAOYSA-N
-rxn:4:187414:224842,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3ccc4c(c3)C(C)(C)CCC4(C)C)cc2)C1,FKZWVKLQJASBSG-UHFFFAOYSA-N
-rxn:4:187418:222823,CC(C)(C)NS(=O)(=O)c1ccc(-c2cccc(C3CCN(C(=O)OC(C)(C)C)C3)c2)c(F)c1,VDKDJKAJFLJNHX-UHFFFAOYSA-N
-rxn:4:187435:223839,COC(=O)C1CCN(Cc2cc(C)cc(-c3cc(S(=O)(=O)N4CCN(C)CC4)ccc3OC)c2)CC1,FZJGLXISQQYUBY-UHFFFAOYSA-N
-rxn:4:187445:225206,Cc1cc(C2CC2)c(-c2ccc(C3CCN(C(=O)OC(C)(C)C)C3)c(F)c2)cc1C(F)(F)F,MMVIKOMAIJUMIQ-UHFFFAOYSA-N
-rxn:4:187447:225550,CCCCC(=O)c1ccc(-c2ccccc2CCC(=O)N2CCC3(CC2)CC3(F)F)cc1F,HKCKJTDDQHTCSI-UHFFFAOYSA-N
-rxn:4:187465:222741,Cc1cc(OC2CCN(C(=O)c3ccc(-c4cc(C5CC5)nc(C5CCCNC5)c4)o3)CC2)cc(=O)o1,OIGGKQIVRNTTAB-UHFFFAOYSA-N
-rxn:4:187474:223637,CC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2ccccc2C2CCCN(C(=O)OC(C)(C)C)C2)c1,OUQZSABCXQWKSL-UHFFFAOYSA-N
-rxn:4:187483:224018,CCC1CCCCN1S(=O)(=O)c1ccc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCOCC2)c(OC)c1,WGMYAMFERRJCJG-UHFFFAOYSA-N
-rxn:4:187537:222660,O=C(Nc1ccccc1F)c1ccc(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)cc1,DIWMIDRUDJDARB-UHFFFAOYSA-N
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-rxn:4:202533:222624,CCOC(=O)c1cnc2c(-c3cc(CC(C)C)nc(C4CCNCC4)c3)cccc2c1N1CCC(F)(F)C1,FQVIWYLWLBGMPQ-UHFFFAOYSA-N
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-rxn:4:202595:222614,O=S(=O)(NC1CC1)c1ccc(-c2ccc(CN3CCN(CC(F)(F)F)CC3)c3ccccc23)c(C(F)(F)F)c1,WOWCLLYSKRGYHH-UHFFFAOYSA-N
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-rxn:4:202778:224290,CCn1c2c(c3cc(-c4ccc(Cl)cc4OCCN4CCOCC4)ccc31)CN(C(=O)OC(C)(C)C)CC2,RFUZPFGZHQTQPT-UHFFFAOYSA-N
-rxn:4:202807:227560,COc1ccc(-c2ccc(Sc3c(C)nn(C(=O)C45CC6CC(CC(C6)C4)C5)c3C)cc2)cc1C(F)F,YNRMIHWDUIINDR-UHFFFAOYSA-N
-rxn:4:202813:223937,CC(C)Oc1ccc(C2=NN3C(C2)c2cc(-c4cc5cccc(Cl)c5n4C(=O)OC(C)(C)C)ccc2OC3c2ccccc2Cl)cc1,XJIXUNPKPBHTPM-UHFFFAOYSA-N
-rxn:4:203570:223489,Cc1ccccc1OCc1c(-c2ccc(S(=O)(=O)N3CCC(O[Si](C)(C)C(C)(C)C)CC3)cc2)cnn1C,QUIBSURZSQBFFF-UHFFFAOYSA-N
-rxn:4:203639:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1ccc(S(=O)(=O)NN2CCSCC2)cc1,FGHKDLAFATWMPN-UHFFFAOYSA-N
-rxn:4:203684:222716,COc1c(-c2ccc(S(=O)(=O)NC3CCCC3)c(F)c2)cncc1S(=O)(=O)N1CCOCC1,GPNCZLKQBCIJRB-UHFFFAOYSA-N
-rxn:4:203709:226286,CC(C)COc1cc(-c2ccc(C(=O)N3CCC(N4C(=O)COC4=O)C3)o2)ccc1Cl,OVWODRITJGMQNF-UHFFFAOYSA-N
-rxn:4:203724:222514,COc1ccc(-c2ccc(S(=O)(=O)NN3CCCCC3)cc2)cc1S(=O)(=O)NC1CCCCC1,JROGOHPDAIRECO-UHFFFAOYSA-N
-rxn:4:203758:225910,CCOc1cc(C(F)(F)F)ccc1-c1cc(F)c([N+](=O)[O-])c(N2CCC(C(F)(F)F)CC2)c1,HQYNKJFISIJZBR-UHFFFAOYSA-N
-rxn:4:203788:223840,COc1cc(-c2cc(C)nc(S(C)(=O)=O)n2)c(Cl)cc1-c1ccc(OC)c(S(=O)(=O)N2CCN(C)CC2)c1,HAEUZYWTRMZNJG-UHFFFAOYSA-N
-rxn:4:203801:223902,CC1CCN(CCOc2ccc(-c3ccc(CC(=O)N4CCN(C)CC4)cc3)cc2F)CC1,KXGRNDOJUWJKGE-UHFFFAOYSA-N
-rxn:4:203865:224721,CCN1CCN(Cc2cccc(-c3c(C)nn(CC(=O)OC(C)(C)C)c3C)c2Cl)CC1,ZZRIQXDSFHQQRF-UHFFFAOYSA-N
-rxn:4:203878:224619,CC1CCN(Cc2cc([N+](=O)[O-])ccc2-c2ccc(OCCN3CCCC3)c(F)c2)CC1,NULRUHVPVNWXRB-UHFFFAOYSA-N
-rxn:4:203880:222607,CS(=O)(=O)N1CCC(Nc2ccc(-c3cccc(CC4CCCN(S(C)(=O)=O)C4)n3)cc2)CC1,HCJQJWXBIJAMSE-UHFFFAOYSA-N
-rxn:4:203936:224405,COc1ccc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCCC2)cc1S(=O)(=O)N1CCN(C)CC1,ABFXXLLRPVBBLG-UHFFFAOYSA-N
-rxn:4:203939:222817,COc1ccc(S(=O)(=O)NC2CC2)cc1-c1cccc(N2CCN(S(=O)(=O)C3CC3)CC2)c1,LPLHZWLKUAZAPP-UHFFFAOYSA-N
-rxn:4:203939:224421,CC(C)c1cc(C(C)C)c(-c2cccc(N3CCN(S(=O)(=O)C4CC4)CC3)c2)c(C(C)C)c1,XVJSXMFYLQSDDO-UHFFFAOYSA-N
-rxn:4:203955:223505,CN(C)C1CCN(C(=O)c2cccc(-c3ccc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)cc3)c2)CC1,YRYATSMMPSBHBO-UHFFFAOYSA-N
-rxn:4:203976:226768,CSc1ccc(-c2cc(Cl)c(S(=O)(=O)N3CCN(C(C)=O)CC3)cc2C)cc1C(F)(F)F,JASODIWSWNYEGG-UHFFFAOYSA-N
-rxn:4:204010:224413,COc1cc(C(F)(F)F)cc(C(F)(F)F)c1-c1cccc(CC2CCCN(S(C)(=O)=O)CC2)n1,APTLWHNCCQNBGD-UHFFFAOYSA-N
-rxn:4:204028:225048,Cc1cc(N2CCN(C)CC2)ccc1-c1cccc(CN2CCN(S(C)(=O)=O)C[C@@H]2C)c1,SCANPIFHXKXXAP-NRFANRHFSA-N
-rxn:4:204029:225311,CC1CN(S(C)(=O)=O)CCN1Cc1ccc(-c2cc(C(F)(F)F)c(C3CC3)cc2Cl)cc1,ZZMRXHKRTMEJKE-UHFFFAOYSA-N
-rxn:4:204050:224588,CC1CCN(Cc2cc(F)cc(-c3ccc(C4=NC(C)(C)N(C(=O)c5ccc(Cl)cc5)C4=S)cc3)c2)CC1,DZSJPSFTALLMCH-UHFFFAOYSA-N
-rxn:4:204068:224488,CC(C)N(C(=O)c1ccc(-c2ccc(N3CCN(C(=O)C(C)(C)C)CC3)cc2)cc1)C(C)C,JMKRVLRACJFFNX-UHFFFAOYSA-N
-rxn:4:204070:223845,Cc1ccc(C(=O)N2CCC(N(C)C)CC2)cc1-c1cc(F)c(F)cc1S(=O)(=O)N1CCN(C)CC1,MGSKQOXLTCQIDW-UHFFFAOYSA-N
-rxn:4:204115:226301,CCCOc1cc(F)c(C)cc1-c1ccccc1S(=O)(=O)N1CCCN(C2CCC2)CC1,HIIGRQFHKJVULI-UHFFFAOYSA-N
-rxn:4:204115:226712,COCCOc1ccc(-c2ccccc2S(=O)(=O)N2CCCN(C3CCC3)CC2)c(F)n1,WIIMMAVEISGAQO-UHFFFAOYSA-N
-rxn:4:204115:226713,COCCOc1cc(-c2ccccc2S(=O)(=O)N2CCCN(C3CCC3)CC2)c(F)cn1,WODVMYRIPZUMBN-UHFFFAOYSA-N
-rxn:4:204117:225344,CC(C)Oc1ncc(C(F)(F)F)cc1-c1cccc(C(=O)N2CCCN(C3CCSC3)CC2)c1,DSQRKAULTVCZLR-UHFFFAOYSA-N
-rxn:4:204134:227472,CCCOc1ncc(Cl)cc1-c1ccccc1S(=O)(=O)N1CCCN(C2CCOC2)CC1,BECVVKZHGKROMQ-UHFFFAOYSA-N
-rxn:4:204135:226336,N#Cc1cc(-c2ccccc2S(=O)(=O)N2CCCN(C3CCSC3)CC2)c(Cl)cc1C1CC1,JVKFBXVEVMZLOE-UHFFFAOYSA-N
-rxn:4:204135:227472,CCCOc1ncc(Cl)cc1-c1ccccc1S(=O)(=O)N1CCCN(C2CCSC2)CC1,LWVHXZCPQDFPLS-UHFFFAOYSA-N
-rxn:4:204147:224656,COc1ccc(-c2ccc(CN3CCCCC3C)c(N3CCCC3)c2)c(F)c1OC1CCCC1,FISUYPKTBMWXBF-UHFFFAOYSA-N
-rxn:4:204150:222632,O=C(NCCN1CCCC1)c1cccc(-c2cccc(C(=O)N3CCCN(C4CCSCC4)CC3)c2)c1,SMGCYGYSVUTZPS-UHFFFAOYSA-N
-rxn:4:204169:226665,CC1CN(Cc2ccc(-c3cnc(C4CCCOC4)nc3)cc2N2CCCCC2)CCO1,DHBYDNFGPXAPHV-UHFFFAOYSA-N
-rxn:4:204170:226778,COc1cc(-c2ccc(CN3CCCCC3C)c(N3CCCCC3)c2)c(F)c(F)c1OC,WLEGXQLMEYXGTR-UHFFFAOYSA-N
-rxn:4:204181:224770,Cc1cc(-c2cc(C)c(S(=O)(=O)N3CCN(c4ccc(C)cc4C)CC3)cc2C)cc(S(=O)(=O)N2CCCC2)c1,WVWHQULJNGKFLF-UHFFFAOYSA-N
-rxn:4:204475:223575,CC(C)(C)OC(=O)N1CCN(Cc2ccccc2-c2nc(Cl)cc3ccn(C(=O)OC(C)(C)C)c23)CC1,JTFPBVSVHQXXHF-UHFFFAOYSA-N
-rxn:4:204513:223582,COC(=O)c1ccc2cc(-c3cnc4c(c3)CCN4C(=O)OC(C)(C)C)n(C(=O)OC(C)(C)C)c2c1,LOIZXWMOEJYKLM-UHFFFAOYSA-N
-rxn:4:204574:223712,COc1ccc(-c2c(COC3CCCCO3)nn3c2CCC3)cc1C12CC3CC(CC(C3)C1)C2,WNZVFFPWUZSXMJ-UHFFFAOYSA-N
-rxn:4:204645:224652,CC(C)(C)[Si](C)(C)Oc1cc(-c2ccc(OC(=O)N3CCN4CCC3CC4)cc2)ccc1Cl,HTOKKJFSVRJERO-UHFFFAOYSA-N
-rxn:4:204652:223743,Cc1ccc(-c2ccc3[nH]c(C(=O)N4CCC(C(F)(F)F)CC4)cc3c2)cc1OCCCN1CCC(C)CC1,MCNCWMRVVPCPCN-UHFFFAOYSA-N
-rxn:4:204689:224420,CCCN1C(=O)C(=C2SC(=S)N(CC)C2=O)c2cc(-c3cc4c(cc3C)C(C)(C)CCC4(C)C)ccc21,PCWREHURDSVDGC-UHFFFAOYSA-N
-rxn:4:204691:227470,CCCCN1C(=O)C(=C2SC(=S)N(C)C2=O)c2cc(-c3cnc(OCCC)nc3C)ccc21,LSQVDOMBDVGCTD-UHFFFAOYSA-N
-rxn:4:204719:224846,CCC1CCC(c2ccc(-c3ccc4c(c3)C(=C3SC(=S)N(Cc5ccco5)C3=O)C(=O)N4CC)cc2)CC1,QORIABHGDAUYAS-UHFFFAOYSA-N
-rxn:4:204720:224307,CCN1CCN(Cc2cc3c(c(-c4c(F)cc(O[Si](C)(C)C(C)(C)C)cc4F)c2)OCC3)CC1,NXVRPQGNSKRCHN-UHFFFAOYSA-N
-rxn:4:204740:223005,CCN1C(=O)C(=C2SC(=S)N(CC(C)C)C2=O)c2cc(-c3ccc(C4CCNCC4)c(Cl)c3)ccc21,MCGQMPBPQHTWRG-UHFFFAOYSA-N
-rxn:4:204804:227225,CC(C)CSc1ccc(-c2ccccc2S(=O)(=O)N2C3CCC2CC(N2C(=O)CCC2=O)C3)cn1,BIQGPSXRBRTHHU-UHFFFAOYSA-N
-rxn:4:204816:227272,CCN1C(=O)C(=C2SC(=S)N(C(C)c3ccccc3)C2=O)c2cc(-c3cc(COC)ccc3OC)ccc21,OXUPHJLFNVOYQO-UHFFFAOYSA-N
-rxn:4:204865:227261,CCCOc1ccc(F)c(-c2cccc(N3C=C(C(=O)N4CCC(C)CC4)S(=O)(=O)c4ccccc43)c2)c1,RASOPNYSKVELFR-UHFFFAOYSA-N
-rxn:4:205911:223481,COc1cccc(-c2nc(-c3ccc(S(=O)(=O)N4CCC(O[Si](C)(C)C(C)(C)C)CC4)cc3F)c[nH]2)c1,PCTSMJTVQSWNDA-UHFFFAOYSA-N
-rxn:4:206168:223539,COc1ccc(-c2cncc(OC3CCOCC3)n2)cc1S(=O)(=O)N1CCC2(CC1)OCCO2,WVACRGTYCDAHQN-UHFFFAOYSA-N
-rxn:4:206522:223841,Cc1cc(F)c(-c2ccc(S(=O)(=O)N3CCSCC3)nc2)cc1S(=O)(=O)N1CCN(C)CC1,ZISGKGLUSFIKAG-UHFFFAOYSA-N
-rxn:4:206544:223940,CC(C)(C)OC(=O)N1CCOc2cc(-c3cnc(N4CCOCC4)cc3C(F)(F)F)ccc21,PQRWCUSQCQPFFF-UHFFFAOYSA-N
-rxn:4:206865:224834,CC1CCN(C(=O)c2ncc(-c3cn(S(=O)(=O)N(C)C)nc3C(F)(F)F)cc2Cl)CC1,ARXXTVDEAYBYFS-UHFFFAOYSA-N
-rxn:4:206967:223790,CC1CCN(c2cc(-c3cncc(C4CCCN4C(=O)OC(C)(C)C)c3)cc(F)c2[N+](=O)[O-])CC1,PWAYMFUDJILABW-UHFFFAOYSA-N
-rxn:4:206970:223835,Cc1cc(F)c(-c2cc(N3CCC(C)CC3)c([N+](=O)[O-])cc2F)cc1S(=O)(=O)N1CCC(C)CC1,QFYSWUUHLHQZJF-UHFFFAOYSA-N
-rxn:4:206976:222826,CN1CCN(S(=O)(=O)c2ccc(F)c(-c3cccc(S(=O)(=O)N4CCNCC4)c3)c2)CC1,ZYPVMXSGBZIYND-UHFFFAOYSA-N
-rxn:4:206991:222677,CN(C)C=C1C(=O)N(c2ccc(-c3ccc(F)cc3CNC(=O)OC(C)(C)C)cc2)CS1(=O)=O,JACZHBPTAPQKLH-UHFFFAOYSA-N
-rxn:4:207056:222744,CC1CCN(c2ccc(S(N)(=O)=O)cc2-c2ccccc2CNC(=O)OC(C)(C)C)CC1,URBMHCYSVGAHQR-UHFFFAOYSA-N
-rxn:4:207064:225008,COC1CCN(c2ccc(-c3cc(C)c(Cl)cc3S(=O)(=O)N3CCN(C)CC3)cc2)CC1,WQPYJXSGPYQAIS-UHFFFAOYSA-N
-rxn:4:207085:225008,COC1CCN(c2ccc(-c3cc(S(=O)(=O)N4CCN(C)CC4)c(C)cc3C)cc2)CC1,UEOXJDDIVYDXSU-UHFFFAOYSA-N
-rxn:4:207779:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1ccc(S(=O)(=O)N2CCN3CCC2CC3)cc1,FXSCPICRACWVRD-UHFFFAOYSA-N
-rxn:4:207789:224688,CN1C(=O)C(=C2SC(=S)N(Cc3ccco3)C2=O)c2cc(-c3ccc(CN4CCC(=O)CC4)c(Cl)c3)ccc21,DJZYTJHDOXTKEM-UHFFFAOYSA-N
-rxn:4:207796:223687,CN1CCN(S(=O)(=O)c2cc3cc(-c4cnc(N5CCN(C(=O)OC(C)(C)C)CC5)nc4)ccc3oc2=O)CC1,KZULXGWCEFRDCM-UHFFFAOYSA-N
-rxn:4:207858:224081,CCN1C(=O)C(=C2SC(=S)N(C3CCCCC3)C2=O)c2cc(-c3ccccc3CCO[Si](C)(C)C(C)(C)C)ccc21,NHOXDYSBYINKMG-UHFFFAOYSA-N
-rxn:4:207931:223539,COc1ccc(-c2cccc(C3c4c(oc5ccc(Cl)cc5c4=O)C(=O)N3c3cccc(C)n3)c2)cc1S(=O)(=O)N1CCC2(CC1)OCCO2,NRFZTIFGPVTMSA-UHFFFAOYSA-N
-rxn:4:207959:222987,Cc1ccc(C2=NN3C(C2)c2cc(-c4ccc(C5CCNCC5)nc4C)ccc2OC3C2CCCCC2)cc1,UAUQBRUJYPMTMA-UHFFFAOYSA-N
-rxn:4:207959:226146,Cc1ccc(C2=NN3C(C2)c2cc(-c4ccc(SC5CCCC5)cc4)ccc2OC3C2CCCCC2)cc1,WXSWIOOXMJTJQO-UHFFFAOYSA-N
-rxn:4:209608:223698,Cc1nc(N2CCOCC2)sc1-c1ccc(OC(F)(F)F)c(S(=O)(=O)N2CCCC2)c1,CLJKYXCRNQKHPT-UHFFFAOYSA-N
-rxn:4:209711:223645,CCOC(=O)C1CCCN(C(=O)c2cccc(-c3cnc(N4CCC(C)CC4)s3)c2)C1,HEDJXVPOCRIPMA-UHFFFAOYSA-N
-rxn:4:209766:223649,CC(C)(C)OC(=O)N1CCN(c2cccc(-c3cccc(N4CCC(F)(F)CC4)n3)c2)CC1,GTRIAVHQFUMZRO-UHFFFAOYSA-N
-rxn:4:210681:223687,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3ccc(C4=CSC5=NCCN45)cc3)cn2)CC1,HAGOGXFHMQTHAK-UHFFFAOYSA-N
-rxn:4:210681:223790,CC(C)(C)OC(=O)N1CCCC1c1cncc(-c2ccc(C3=CSC4=NCCN34)cc2)c1,VJNYWBJWKGKQEE-UHFFFAOYSA-N
-rxn:4:210681:223834,Cc1cc(-c2ccc(C3=CSC4=NCCN34)cc2)cc(C)c1S(=O)(=O)N1CCN(C)CC1,DYLXIKYGLHZVNP-UHFFFAOYSA-N
-rxn:4:210955:222439,O=S(=O)(NC1CCCCC1)c1ccc(-c2nn(C3CCCCO3)c3cc(F)c(F)cc23)c(C(F)(F)F)c1,XRMXKVUVIXXQMX-UHFFFAOYSA-N
-rxn:4:211035:222538,CN1CC2CN(c3ccc(-c4cc(C5CCCC5)nc(C5CCNCC5)c4)cc3)CC2C1,DCBDXSVTMFVWML-UHFFFAOYSA-N
-rxn:4:211061:224585,CC1CCN(C(=O)c2ccc(-c3ccc4c(c3)C(=C3SC(=S)N(C5CCS(=O)(=O)C5)C3=O)C(=O)N4C)cc2)CC1,DBKGTEJISDSOPP-UHFFFAOYSA-N
-rxn:4:211099:223568,Cc1ccc(C2=NN3C(C2)c2cc(-c4cnc5c(ccn5[Si](C(C)C)(C(C)C)C(C)C)c4Cl)ccc2OC32CCCC2)cc1,FBPHJPOXBLZEEI-UHFFFAOYSA-N
-rxn:4:211099:224849,Cc1ccc(C2=NN3C(C2)c2cc(-c4cc(C5CCCC5)cc(C5CC5)c4)ccc2OC32CCCC2)cc1,IQTVBSQSPQEFJC-UHFFFAOYSA-N
-rxn:4:211101:225805,Cc1ccc(C2=NN3C(C2)c2cc(-c4ccc(C(C)N5CCOCC5)s4)ccc2OC32CCC(C)CC2)cc1,MZRMBKCEMUOTJX-UHFFFAOYSA-N
-rxn:4:212482:223687,CN1C(=O)COc2c1cnc1cc(F)c(-c3cnc(N4CCN(C(=O)OC(C)(C)C)CC4)nc3)cc21,UDZCKXZSFDRRDB-UHFFFAOYSA-N
-rxn:4:212491:223954,CN1CCN2CCc3ccc(-c4ccc(OCCN5CCC(=O)CC5)c(F)c4)cc3C2C1,LVZOTXYIENFCBO-UHFFFAOYSA-N
-rxn:4:212521:223180,CONC(=O)c1ccc(-c2cnc(OC3CCN(S(=O)(=O)CCC(F)(F)F)C3)nc2)cc1F,YZQIYDLRCGQPIO-UHFFFAOYSA-N
-rxn:4:212584:225572,COC(=O)c1ccc(C2CC2)cc1-c1cn(C)nc1CN(C(=O)OC(C)(C)C)C(C)C,BKVOTXAIIMBOSQ-UHFFFAOYSA-N
-rxn:4:212585:223080,CC(C)NS(=O)(=O)c1ccc(-c2cnn(C)c2CN(C(=O)OC(C)(C)C)C(C)C)cc1,PMJHDVVCPLXGBI-UHFFFAOYSA-N
-rxn:4:212593:223078,CCNS(=O)(=O)c1ccc(-c2ccc(C(=O)N(C)C3CN(C(=O)OC(C)(C)C)C3)cn2)c(C)c1,PLPGXMOAKDFCLD-UHFFFAOYSA-N
-rxn:4:212597:224257,Cc1cccc(OCC(=O)N2CCC(Oc3ncc(-c4cc(C(=O)N5CCCCC5C)ccc4Cl)cn3)C2)c1,AWTPYFXLAWODKZ-UHFFFAOYSA-N
-rxn:4:212600:222629,CC(C)(C)c1cc(-c2cnc(OC3CCCN(C(=O)COc4ccccc4)C3)nc2)cc(C2CCCNC2)n1,YKZZOCNBTLTJMM-UHFFFAOYSA-N
-rxn:4:212608:222719,CC(=O)OC(C)(C)C(=O)N1CCCC(Oc2ncc(-c3cc(C4CCCNC4)nc(C(F)(F)F)c3)cn2)C1,KSASIMAFKPIEHL-UHFFFAOYSA-N
-rxn:4:212641:223239,COCCN1C(=O)CN(C2CCN(C(=O)c3ccc(-c4cncc(C5CCCN5)c4)o3)CC2)C1=O,TUZMGDFYPHPEFQ-UHFFFAOYSA-N
-rxn:4:212649:226249,CCCCOc1cc(Cl)cc(-c2cnc(OCC3CCCN(C(=O)C(C)(C)CC)C3)nc2)c1,DQKYZRYBAKFLCO-UHFFFAOYSA-N
-rxn:4:212659:223939,CCOc1ccc(CN2CCC(Oc3ncc(-c4ccc5c(c4)N(C(=O)OC(C)(C)C)CCO5)cn3)CC2)cc1,YTIVVSWRVGVTAM-UHFFFAOYSA-N
-rxn:4:212669:225688,COc1cnc(OC2CCN(C(=O)c3cc(OC)ccc3-c3cnc(C4CCCCC4)c(Cl)c3)CC2)nc1,SKDVUCFNTOZRCL-UHFFFAOYSA-N
-rxn:4:212675:224411,COc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)c(-c2ccc(S(=O)(=O)N(C)C)cc2C(F)(F)F)cc1[N+](=O)[O-],DAZKPMFTAXFDBO-UHFFFAOYSA-N
-rxn:4:212722:223480,Cc1ccc(S(=O)(=O)N(Cc2ccc(-c3cc(C)c(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c(C)c3)cc2)C(=O)N2CCN(C)CC2)cc1,MRULAWAFSUFXAE-UHFFFAOYSA-N
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-rxn:4:212729:223809,COc1ccc(-c2noc(C3CCCN(S(=O)(=O)c4ccc(-c5cc(N6CCOCC6)cc(N6CCOCC6)c5)cc4)C3)n2)cc1OC,VGQHSPPGYDTCAB-UHFFFAOYSA-N
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-rxn:4:212747:229028,Cc1cc(Cl)ccc1-c1ccc(CN2CCN(C(=O)OC(C)(C)C)CC2C)c(N2CCOCC2)c1,PQLJTBFUZKTHHT-UHFFFAOYSA-N
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-rxn:4:213098:223184,CC(C)(C)OC(=O)N1CCN(c2cc(C#N)cc(-c3cnc(N4CCNCC4)nc3)c2)CC1,HCYVFMVXYALENA-UHFFFAOYSA-N
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-rxn:4:213123:223639,O=C(Cc1ccccc1-c1ccc(N2CCN(Cc3ccccc3)CC2)nc1)N1CCN(c2ccnc(C(F)(F)F)c2)C(=O)C1,HEVYZOKTQMMTGA-UHFFFAOYSA-N
-rxn:4:213123:226794,O=C(Cc1ccccc1-c1cnc(N2CCSCC2)nc1)N1CCN(c2ccnc(C(F)(F)F)c2)C(=O)C1,CJFTUWGHPLYOFZ-UHFFFAOYSA-N
-rxn:4:213129:222821,COc1nc(-c2ccc(F)c(S(=O)(=O)NC(C)(C)C)c2)cn1C1CCN(C(=O)OC(C)(C)C)CC1,YOEAUZCVOUBJIF-UHFFFAOYSA-N
-rxn:4:213134:222795,CCC(C)(C)C(=O)N1CCC(Oc2ncc(-c3ccc(NC(=O)N4CCOCC4)cc3)cn2)CC1,YZGWLKUQGLGQII-UHFFFAOYSA-N
-rxn:4:213134:224649,CCC(C)(C)C(=O)N1CCC(Oc2ncc(-c3cc(F)ccc3OCC3CCCCO3)cn2)CC1,STTDEEZNULGOGO-UHFFFAOYSA-N
-rxn:4:213218:223182,CCNS(=O)(=O)c1ccc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)[C@@H](C)C3)nc2)cc1,KQFPCQJMVGFSHN-SFHVURJKSA-N
-rxn:4:213237:223184,CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1c1ncc(-c2ccc(-c3cnc(N4CCNCC4)nc3)cc2)[nH]1,YNMYZYCGEXWGHM-NRFANRHFSA-N
-rxn:4:213237:226685,CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1c1ncc(-c2ccc(-c3cnc(C4CCOCC4)nc3)cc2)[nH]1,DTVJFCZPQPZQPM-QFIPXVFZSA-N
-rxn:4:213260:223523,CCN1CCN(S(=O)(=O)c2ccc(-c3cnc(OCC4CCCN(CC5CCS(=O)(=O)CC5)C4)nc3)c3ccccc23)CC1,LNUFOVTVJNCAJT-UHFFFAOYSA-N
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-rxn:4:213320:226290,COC(=O)c1nc(-c2cccc(C(=O)OC(C)C)c2)n2c1CN(C(=O)OC(C)(C)C)CC2,FBQJVIZNQCUJPQ-UHFFFAOYSA-N
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-rxn:4:213334:225345,COc1ccc(S(=O)(=O)N(C)C)cc1-c1ccc(C(=O)N2CCN(c3nc4ccc(OC(F)(F)F)cc4s3)CC2)o1,SHRCTFKFPZOFRJ-UHFFFAOYSA-N
-rxn:4:213337:223792,CCCCC(=O)N1CCN(c2nc3ccc(-c4ccc(C(=O)N5CCC(C(=O)OC)CC5)cc4)cc3s2)CC1,WVIPXJBIFZOIDR-UHFFFAOYSA-N
-rxn:4:213338:225226,CC1CCN(c2cc(-c3ccc(N4C(SCC(=O)N(C)C)=NC5CS(=O)(=O)CC54)c(F)c3)c(F)cn2)CC1,QTHYWYVRTDAHOH-UHFFFAOYSA-N
-rxn:4:213370:222722,O=C(CCc1ccccc1)N1CCN(c2nc3ccc(-c4cccc(S(=O)(=O)N5CCC(O)CC5)c4)cc3s2)CC1,PMFYPLJZFQTMPH-UHFFFAOYSA-N
-rxn:4:213407:225520,CCCCOC(=O)c1cccc(-c2ccc3nc(N4CCN(C(=O)c5ccc(S(=O)(=O)CC)cc5)CC4)sc3c2)c1,DMZQEGNWINBXER-UHFFFAOYSA-N
-rxn:4:213416:225337,CC1CCN(C(=O)CSc2nc3c(c(=O)n2-c2ccc(-c4cc(F)cc(COCC(F)(F)F)c4)cc2)SCC3)CC1,IVHCPTWHDSEEHX-UHFFFAOYSA-N
-rxn:4:213421:225343,CC(C)Sc1ncc(C(F)(F)F)cc1-c1ccc(CC(=O)N2CCC(Cn3nc4c(cc3=O)CCC4)CC2)cc1,NJXFZRKPNFYCRO-UHFFFAOYSA-N
-rxn:4:213444:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3ccc(CC(=O)N4CCC(Cn5nc6c(cc5=O)CCCC6)CC4)cc3)cc2)CC1,GBKKMWWSBRBHFA-DJWYIQKTSA-N
-rxn:4:213444:225089,CCCCCOc1ccc(-c2ccc(CC(=O)N3CCC(Cn4nc5c(cc4=O)CCCC5)CC3)cc2)c(F)c1F,QPSTXWURYWLYSD-UHFFFAOYSA-N
-rxn:4:213450:224421,Cc1nc2ccc(-c3c(C(C)C)cc(C(C)C)cc3C(C)C)cc2c(-c2ccccc2)c1C1=NN(C(=O)C(C)C)C(c2ccccc2F)C1,LDWFKAFYKOHWCS-UHFFFAOYSA-N
-rxn:4:213590:224617,COC(=O)[C@@H]1CCCN1C(=O)c1ncc(-c2ccc(OCCN3CCCC3)c(Cl)c2)cn1,IEYZCJKSONRZLZ-IBGZPJMESA-N
-rxn:4:213626:224614,CN(C(=O)OC(C)(C)C)c1ccc(-c2cnn(C3CN(C(=O)OC(C)(C)C)C3)c2)cc1,VUKNPSANXDVSOI-UHFFFAOYSA-N
-rxn:4:213634:223991,CC(C)(C)[Si](C)(C)Oc1c(F)cc(F)c(-c2cnn(CC3CCCN(CC(F)(F)F)C3)c2)c1F,IOFDOQIDIHJTSI-UHFFFAOYSA-N
-rxn:4:213662:222771,CC(=O)N1CCC(COc2ncc(-c3ccc(F)c(C(=O)NC4CCCC4)c3)cn2)CC1,MFRJGGRQSCRTHB-UHFFFAOYSA-N
-rxn:4:213663:223658,CC(C)(C)OC(=O)N1CC(c2ncc(-c3ccc(S(=O)(=O)N4CCOCC4)c4ccccc34)cn2)C1,WUMUIQIIVWSDLB-UHFFFAOYSA-N
-rxn:4:213686:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2cnn(CC3CN(C(=O)C(C)(C)C)C3)c2)cc1,WJYYYWRFCPTVHL-UHFFFAOYSA-N
-rxn:4:213687:224376,COCCN1CCN(c2ccc(-c3cccc(S(=O)(=O)N4CCN(C)CC4)c3)cn2)CC1,MMSHFXONMRWDFB-UHFFFAOYSA-N
-rxn:4:213687:224377,COCCN1CCN(c2ccc(-c3ccc(S(=O)(=O)N4CCN(C)CC4)cc3)cn2)CC1,QEVSBAWBEXPMAN-UHFFFAOYSA-N
-rxn:4:213693:225827,CC(C(=O)N1CCCC(C(F)(F)F)C1)n1cc(-c2ccnc(N3CCN(C)CC3)c2)cn1,DOCYDMKBNROTIS-UHFFFAOYSA-N
-rxn:4:213758:222854,COc1ccc(C2CCCNC2)cc1-c1cnc(CCC2CCCCN2S(C)(=O)=O)cn1,NNVKLEMMHBTMAI-UHFFFAOYSA-N
-rxn:4:213786:222628,Cn1ccnc1S(=O)(=O)C1CN(S(=O)(=O)c2ccccc2-c2cc(C3CCC3)nc(C3CCCNC3)c2)C1,ZGZOJPZYGJNQAV-UHFFFAOYSA-N
-rxn:4:213802:222975,Cc1cc(C(=O)NC2CC2)ccc1-c1cccnc1OC1CCN(S(=O)(=O)N(C)C)CC1,ZYQDAKIYPVWNLN-UHFFFAOYSA-N
-rxn:4:213838:225295,CC(C)(C)OC(=O)N1CCC(c2n[nH]cc2-c2ccccc2S(=O)(=O)N2CCCC2)CC1,WMDQZAOKBKMBAD-UHFFFAOYSA-N
-rxn:4:213846:225516,CN(C)CCCOc1ccc(-c2cccc(C(=O)N3CCN(S(=O)(=O)N(C)C)CC3)c2)cc1,CLLHTFNFUUPCBZ-UHFFFAOYSA-N
-rxn:4:213872:224496,CCN1CCN(Cc2cccc(-c3cnn(CC4CN(CC5CCCCC5)C4)c3)c2)CC1,NGSRAPSVGHDPGU-UHFFFAOYSA-N
-rxn:4:213875:225536,CC(C)COc1ccc(-c2cccc(N3CCN(C(=O)OC(C)(C)C)CC3)n2)cc1C#N,VEYVMCYTNGKWIQ-UHFFFAOYSA-N
-rxn:4:213881:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cnc(C2CCN(C(=O)OC(C)(C)C)CC2)cn1,MIUYGCODLHVOGK-UHFFFAOYSA-N
-rxn:4:213895:224724,CCN(CC)S(=O)(=O)c1ccc(C)c(-c2cnc(C3CCCCN3C(=O)OC(C)(C)C)nc2)c1,HLAXJKXNUNJNOT-UHFFFAOYSA-N
-rxn:4:213910:222908,CC(C)(C)OC(=O)Nc1cncc(-c2cccnc2OC2CCN(S(=O)(=O)N3CCOCC3)C2)c1,RIOAOLYBLADKDB-UHFFFAOYSA-N
-rxn:4:213931:225571,COC(=O)c1ccc(-c2cc(C(F)(F)F)cnc2N2CCOC(C(=O)N3CCCC3)C2)c(C2CC2)c1,HAGLFAZFYLKTIC-UHFFFAOYSA-N
-rxn:4:213937:224849,COc1cc(N2CCN(S(=O)(=O)c3ccccc3-c3cc(C4CCCC4)cc(C4CC4)c3)CC2=O)ccn1,GKCLZXLQJPSSOL-UHFFFAOYSA-N
-rxn:4:213944:222852,CC1CN(C(=O)OC(C)(C)C)CCC1c1ncc(-c2cccc(CN3CCC(O)CC3)c2)[nH]1,WHLAOFYHNLRBBS-UHFFFAOYSA-N
-rxn:4:213963:224249,Cc1cnc(OC2CCN(Cc3ccc(F)c(-c4cc(C(=O)N5CCCC(C)C5)ccc4F)c3)CC2)nc1,ARAPZXRIHYYXLF-UHFFFAOYSA-N
-rxn:4:213972:223777,CC(C)(C)OC(=O)N1CCc2c(ccc(-c3cnc(N4CCOC(C(=O)N5CCOCC5)C4)c(C(F)(F)F)c3)c2F)C1,MEZYFQVNDQJVPC-UHFFFAOYSA-N
-rxn:4:213976:225560,CC1CN(c2cccc(-c3cccc(COC4CCOC4)c3)n2)CCN1C(=O)OC(C)(C)C,YPKMCLWVCGLZHE-UHFFFAOYSA-N
-rxn:4:213986:223178,CONC(=O)c1ccc(F)c(-c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)c(C)c2)c1,IMFWDUUJURFAMI-UHFFFAOYSA-N
-rxn:4:214033:223306,CC(C)[C@H]1COC(c2cc(-c3ccc4c(c3)CNCC4)cc(C3=N[C@@H](C(C)C)CO3)n2)=N1,VFBZCOYZQYNPLU-DNQXCXABSA-N
-rxn:4:214049:225718,COC(COc1cccc(-c2ccc(CN3CCC(C#N)CC3)c(N3CCCCC3)c2)c1)OC,HPBUUFRGUGIJOO-UHFFFAOYSA-N
-rxn:4:214058:225923,COC1CCN(C2CCN(C(=O)c3cncc(-c4cnc(OC5CCCC5)nc4Cl)c3)CC2)CC1,YDTYBOSWWCITHL-UHFFFAOYSA-N
-rxn:4:214086:228679,CC(C)N1CCN(Cc2ccc(-c3cnn(CC4CC4)c3)cc2N2CCCCC2)CC1,GOGVAOAAVQSULW-UHFFFAOYSA-N
-rxn:4:214144:224337,CC(C)(C)OC(=O)N1CCc2c(ncc(C#N)c2-c2cnc(C(F)(F)F)c(C3CCCCC3)c2)C1,WZJUDWPKSQXWKZ-UHFFFAOYSA-N
-rxn:4:214234:223976,CC(C)(C)OC(=O)N1CC=C(c2c[nH]c3ncc(-c4cc(OC5CCCC5)cc(OC(F)(F)F)c4)cc23)CC1,IOEQWRPZJVQVCU-UHFFFAOYSA-N
-rxn:4:214347:225952,Cc1nc(N2CCOCC2)ncc1-c1ccc2c(c1)sc(=NC(=O)c1ccc(S(=O)(=O)N3CCCCC3)cc1)n2C,ALNDJWQSJAJWKF-UHFFFAOYSA-N
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-rxn:4:214353:225771,COc1ccc(-c2cn([C@H]3CC[C@H](O[Si](C)(C)C(C)(C)C)CC3)c3nc(Cl)ncc23)c(F)c1OC(C)C,GNSGJBQGVYZMRY-WGSAOQKQSA-N
-rxn:4:214480:223753,Cc1ccc(-c2cnc(C(=O)ON3C(=O)CCC3=O)cn2)cc1OCCCN1CCN(C)CC1,GRJXUDJAEMAWPK-UHFFFAOYSA-N
-rxn:4:214639:223687,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3cnc(N4CCCC(C(F)(F)F)C4)c([N+](=O)[O-])c3)cn2)CC1,PXPCUELYPCOUNR-UHFFFAOYSA-N
-rxn:4:214675:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2ccc(N3CCC(C(=O)N(C)C)C3)nc2)cc1,LNOJOTSMDCBZKW-UHFFFAOYSA-N
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-rxn:4:214711:224376,CCS(=O)(=O)N1CCN(c2ccc(-c3cccc(S(=O)(=O)N4CCN(C)CC4)c3)cn2)CC1,OOAIFLDDXXMAJQ-UHFFFAOYSA-N
-rxn:4:214729:222462,CC(C)(C)OC(=O)Nc1nc2cc(F)c(-c3cncc(N4CCN(CC5CC5)CC4)c3)c(F)c2s1,CIFIFDOCCJAOBP-UHFFFAOYSA-N
-rxn:4:214819:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cc(Cl)cnc3N3CCOC(C(=O)N4CCCC4)C3)c(F)c2)CC1,AOIKQKUAFPGACT-RZWCHVLBSA-N
-rxn:4:214830:224777,O=C(C1CN(c2ccc(-c3cnc(C4CCCC4)c(C(F)(F)F)c3)cn2)CCO1)N1CCSCC1,VIJWSXBHWXSVAR-UHFFFAOYSA-N
-rxn:4:214835:226249,CCCCOc1cc(Cl)cc(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCOCC3)C2)c1,CAIFREPDCVHSSG-UHFFFAOYSA-N
-rxn:4:214838:224817,O=C(C1CN(c2ncc(-c3ccccc3S(=O)(=O)N3CCOCC3)cc2F)CCO1)N1CCOCC1,SSTYVPYWKMUSCS-UHFFFAOYSA-N
-rxn:4:214874:226255,CCCCOc1ccc(Cl)cc1-c1cnc(N2CCOC(C(=O)N3CCCCC3)C2)c(F)c1,KMWCGUFMRLRZHW-UHFFFAOYSA-N
-rxn:4:214883:225504,CCCCn1cnc2cc(-c3cnccc3N3CCC(C(=O)N4CCC(F)(F)CC4)CC3)ccc21,QWTQBOWNKUWEGJ-UHFFFAOYSA-N
-rxn:4:214888:224591,CC1CCN(Cc2cc(-c3cncc(C(=O)N4CCC5(CC4)OC(=O)N(c4ccccc4)C5=O)c3)ccc2Cl)CC1,OQUYSZHHFVMCRD-UHFFFAOYSA-N
-rxn:4:214889:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1ccc(CN2CCN(C)CC2)c(N2CCCC2)c1,WGLHAZBGUIQXFF-UHFFFAOYSA-N
-rxn:4:214898:224176,O=C1CC(N2CCN(c3cccc(Cl)c3)CC2)C(=O)N1c1ccc(-c2ccc(OCCSC3CCOCC3)cc2)cc1,XFTDEKOPTCOSDT-UHFFFAOYSA-N
-rxn:4:214964:223645,CCOC(=O)C1CCCN(C(=O)c2cccc(-c3ccc4[nH]nc(C(=O)OC)c4c3[N+](=O)[O-])c2)C1,ALXKPRSTSFSRNF-UHFFFAOYSA-N
-rxn:4:215056:224672,CCN1CCN(c2ccc(-c3ccc(CSC4=NN5CCCC(=O)N=C5S4)cc3)c(Cl)c2)CC1,CYLSIGVEGSNEER-UHFFFAOYSA-N
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-rxn:4:215155:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3ccc(C(=O)N4CCC(c5nc6ccccc6[nH]5)CC4)o3)c2)CC1,NCUAMVWXHCQRBO-UHFFFAOYSA-N
-rxn:4:215164:224198,CCN1CCN(Cc2ccc(-c3ccc4c(c3)sc(=NC(=O)CN3C(=O)c5ccccc5C3=O)n4C)c(F)c2)CC1,RQBQFPCNCWMGMX-UHFFFAOYSA-N
-rxn:4:215188:224834,CN(C)S(=O)(=O)n1cc(-c2ccc(N3C(=O)N(c4ccc([N+](=O)[O-])cc4)C4CS(=O)(=O)CC43)cc2)c(C(F)(F)F)n1,NLGWOXBVKHPURJ-UHFFFAOYSA-N
-rxn:4:215234:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc4oc(C(=O)N5CCC(c6nc7ccccc7[nH]6)CC5)c(C)c4c3)c(F)cc2C)CC1,QBGONLFDIODUNH-UHFFFAOYSA-N
-rxn:4:215300:225288,CC(C)Oc1ccc(-c2ccc3c(c2)C2CC(c4ccco4)=NN2C2(CCN(Cc4ccccc4)CC2)O3)c(C(F)(F)F)c1,AVMNUKRNQYWCLE-UHFFFAOYSA-N
-rxn:4:215304:226176,Cc1ccc(C2=NN3C(C2)c2cc(-c4ccncc4C4CCCCC4)ccc2OC32CCN(Cc3ccccc3)CC2)cc1,IRDFMYMEXHZDKL-UHFFFAOYSA-N
-rxn:4:215772:223834,Cc1cc(-c2cncc(N3CCC(C#N)CC3)c2)cc(C)c1S(=O)(=O)N1CCN(C)CC1,JXZHCHWJLBCOMD-UHFFFAOYSA-N
-rxn:4:215772:223840,COc1ccc(-c2cncc(N3CCC(C#N)CC3)c2)cc1S(=O)(=O)N1CCN(C)CC1,PHTOVPJEKKLNCT-UHFFFAOYSA-N
-rxn:4:215772:223841,Cc1cc(F)c(-c2cncc(N3CCC(C#N)CC3)c2)cc1S(=O)(=O)N1CCN(C)CC1,XQVJOKCXQFNBDA-UHFFFAOYSA-N
-rxn:4:215830:224711,CCCCOc1ccc(C(F)(F)F)cc1-c1c(C(=O)N2CCC(F)(F)CC2)cnn1C,KUJGHHYOKDCFME-UHFFFAOYSA-N
-rxn:4:215887:222537,CC1CCN(c2c(-c3cc(C4CCCC4)nc(C4CCCNC4)c3)cncc2[N+](=O)[O-])CC1,NGUJYIUKMXNFLW-UHFFFAOYSA-N
-rxn:4:215900:224377,CN1CCN(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCN(C)CC4)cn3)cc2)CC1,KCHBTCUQPWRRJE-UHFFFAOYSA-N
-rxn:4:215906:222583,CN1CCN(S(=O)(=O)c2cncc(-c3ccc(C(=O)NCCN4CCOCC4)cc3)c2)CC1,IIUWCFABMQOMHY-UHFFFAOYSA-N
-rxn:4:215907:223508,CN1CCN(S(=O)(=O)c2ccc(-c3ccc(N4CCN(S(=O)(=O)c5ccc(Cl)cc5)CC4)nc3)cn2)CC1,NNFCJKPVISKTEV-UHFFFAOYSA-N
-rxn:4:215907:224377,CN1CCN(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCN(C)CC4)nc3)cc2)CC1,GFJYSMBFQJSGER-UHFFFAOYSA-N
-rxn:4:215912:224377,CN1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCN(S(C)(=O)=O)CC4)c(Cl)c3)cc2)CC1,UUESMLXFBAZPAJ-UHFFFAOYSA-N
-rxn:4:215912:224379,CN1CCN(S(=O)(=O)c2ccccc2-c2cnc(N3CCN(S(C)(=O)=O)CC3)c(Cl)c2)CC1,NUZZHGSQFYAGBU-UHFFFAOYSA-N
-rxn:4:215924:223811,CC1CCN(C(=O)c2cnn(C)c2-c2ccc(CN3CCC4(CC3)OCCO4)c(Cl)c2)CC1,WJIYTDZEQRKBIX-UHFFFAOYSA-N
-rxn:4:215943:223840,COc1ccc(-c2ccnc(N3CCC(N(C)C)CC3)c2)cc1S(=O)(=O)N1CCN(C)CC1,VKHJGPHMBJRFQD-UHFFFAOYSA-N
-rxn:4:215943:223997,Cc1cc(-c2ccnc(N3CCC(N(C)C)CC3)c2)cc(C)c1S(=O)(=O)N1CCOCC1,BUOFIBBHHAYNEI-UHFFFAOYSA-N
-rxn:4:215945:223992,Cc1ccc(-c2cc(N3CCC(N(C)C)CC3)ccn2)cc1S(=O)(=O)N1CCN(C)CC1,LSJZCFDBGGAWAQ-UHFFFAOYSA-N
-rxn:4:215955:223994,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cnccc1N1CCC(N(C)C)CC1,HOWZDMNIYIUCKS-UHFFFAOYSA-N
-rxn:4:215956:223992,Cc1ccc(-c2cncc(N3CCC(N(C)C)CC3)c2)cc1S(=O)(=O)N1CCN(C)CC1,MAYPIAFHHRPXQE-UHFFFAOYSA-N
-rxn:4:215978:224022,CC1CCN(c2cc(-c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)nc(C(C)C)n2)CC1,VPAUOBWZRDZRRF-UHFFFAOYSA-N
-rxn:4:215983:224180,Cc1cc(N2CCN(C(C)C)CC2)ncc1-c1ccccc1OCCN1CCN(C)CC1,UFRBIOJYSMWRSO-UHFFFAOYSA-N
-rxn:4:215985:223817,CN1CCN(C2CC(=O)N(c3ccc(-c4cnn(CCN5C(=O)c6ccccc6C5=O)c4)cc3)C2=O)CC1,KWCDVJNSELXYOO-UHFFFAOYSA-N
-rxn:4:215989:223071,CCS(=O)(=O)NCc1ccc(-c2ccc(N3CCC(N4CCN(C)CC4)CC3)cc2)cc1,VWHYQDKPQKVUFD-UHFFFAOYSA-N
-rxn:4:216351:225218,CCC(=O)N1CCc2c([nH]c3ccccc23)C12C(=O)N(C)c1ccc(-c3cnc(N4CCCC(C)C4)c(Cl)c3)cc12,DKSXWHWCDOTQSD-UHFFFAOYSA-N
-rxn:4:217202:223754,Cc1cc(-c2ccc(OCCCN3CCC(C)CC3)c(Cl)c2)cnc1N1CCN(C)C(=O)C1,LNMPCLDYMFSKLY-UHFFFAOYSA-N
-rxn:4:217632:223529,CC12CC(n3cc(-c4ccc(CN5CCN(C(=O)OC(C)(C)C)CC5)c(F)c4)nn3)(C1)C2,AKTXOYYAHDIUAH-UHFFFAOYSA-N
-rxn:4:218567:224269,CN(CC1CN(C(=O)OC(C)(C)C)C1)c1cnc(-c2cn(C(=O)OC(C)(C)C)c3cnccc23)cn1,QTSKVJDFCFXEDF-UHFFFAOYSA-N
-rxn:4:218567:225521,CCCCOc1cc(-c2cnc(N(C)CC3CN(C(=O)OC(C)(C)C)C3)cn2)ccc1OC,MTVOOZVRXFZAJB-UHFFFAOYSA-N
-rxn:4:218589:225910,CCOc1cc(C(F)(F)F)ccc1-c1cnc(OCC2CCCN(S(=O)(=O)c3ccc(C#N)cc3)C2)nc1,HNVWETLTPNRYJM-UHFFFAOYSA-N
-rxn:4:218631:225226,CC1CCN(c2cc(-c3cnc(OCC4CCN(C5CCN(CC(F)(F)F)C5=O)CC4)nc3)c(F)cn2)CC1,AIEDLCPLJKJSOT-UHFFFAOYSA-N
-rxn:4:218665:224352,CN(C)c1cccc(C(=O)N2CCCC(COc3ncc(-c4ccc(C5CCCOC5)c(C(F)(F)F)c4)cn3)C2)c1,GHNDWFQSZVSDLY-UHFFFAOYSA-N
-rxn:4:218677:223572,CCOc1ccc(-c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(S(=O)(=O)N6CCC(C)CC6)c6ccccc56)o4)CC3)nn2)cc1,YJODBMKKOFBLEV-UHFFFAOYSA-N
-rxn:4:218714:223049,Cc1cc(C)c(S(=O)(=O)N2CCN(C(=O)CCn3nc(C)c(-c4ccc(C(=O)NC5CC5)cc4F)c3C)CC2)c(C)c1,MRZFEBGBVIRRJL-UHFFFAOYSA-N
-rxn:4:218772:223239,O=C(CN1CCN(C(=O)Cn2ccc3cc(-c4cncc(C5CCCN5)c4)ccc32)CC1)N1CCOCC1,XGTBLZXHWIRRIF-UHFFFAOYSA-N
-rxn:4:218773:223944,Cc1c(Cl)cc2c(cnn2C2CCCCO2)c1-c1ccc(-n2c(SCC(=O)N3CCN(c4ccccc4)CC3)nc3c(c2=O)SCC3)cc1,NMHLMFJOHMNLCY-UHFFFAOYSA-N
-rxn:4:218775:224367,CC(C)COc1cc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCCCCC4)CC3)c2)ccc1OC(F)(F)F,XSVZVUCDCOOENH-UHFFFAOYSA-N
-rxn:4:218775:228801,CSc1cc(F)ccc1-c1ccc2c(ccn2CC(=O)N2CCN(CC(=O)N3CCCCCC3)CC2)c1,FPZXCEQYDKCGAB-UHFFFAOYSA-N
-rxn:4:218775:229006,CSc1ccc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCCCCC4)CC3)c2)cc1,FRTBKDDAYBZBCY-UHFFFAOYSA-N
-rxn:4:218777:223679,CCN1CCN(S(=O)(=O)c2c(C)cc(-c3c(C)nn(C(C)CC(=O)N4CCN(S(=O)(=O)c5ccc6ccccc6c5)CC4)c3C)cc2C)CC1,WHXLLTRJBAXIDZ-UHFFFAOYSA-N
-rxn:4:218824:226583,CN(CC1CN(c2ncc(-c3ccc(CN4CCOCC4)s3)cn2)C1)S(=O)(=O)C1CC1,ZIIQZVMFIZBTPO-UHFFFAOYSA-N
-rxn:4:218846:228453,COC(=O)Cn1cc(-c2cnc(OC3CCN(C(=O)CN4C(=O)CCC4=O)C3)nc2)cn1,RHTVVMAPSNSFKA-UHFFFAOYSA-N
-rxn:4:218848:224684,O=C1CCN(C(=O)c2ccc(-c3cnc(OC4CCN(C(=O)c5cc(C6CC6)on5)C4)nc3)cc2)CC1,KHCYPKMLWAAVAQ-UHFFFAOYSA-N
-rxn:4:218867:226675,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3cnc(C4CCCC4)nc3Cl)c2)no1,BIADLADOXSAGEZ-UHFFFAOYSA-N
-rxn:4:218889:224203,COc1cc(C(=O)N2CCCCC2)ccc1-c1cnc(OCC2CCCN(C(=O)c3cc(C)on3)C2)nc1,CMPXXHIAKBFWAG-UHFFFAOYSA-N
-rxn:4:218905:224257,Cc1nc(CN2CCCC(COc3ncc(-c4cc(C(=O)N5CCCCC5C)ccc4Cl)cn3)C2)co1,HUZLOTWVQOOLSP-UHFFFAOYSA-N
-rxn:4:218944:225560,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3cccc(COC4CCOC4)c3)cc2[N+](=O)[O-])CC1,NPSIIGAIVFNVLZ-UHFFFAOYSA-N
-rxn:4:218976:223962,O=C1C(N2CCC(Oc3ncc(-c4c(F)ccc(OCc5ccccc5F)c4F)cn3)CC2)CCN1CC(F)(F)F,SSMIDFZBZPMBJM-UHFFFAOYSA-N
-rxn:4:218998:223535,COc1ccc(CN(C)S(=O)(=O)c2ccc(-c3cnc(OCC4CCCN(C(=O)N5CCOCC5)C4)nc3)cc2F)cc1,WAJZTFQQKDNXGI-UHFFFAOYSA-N
-rxn:4:219076:225366,COc1ccc(Cl)cc1C(=O)N1CCCN(c2cc(-c3ccc(-c4ccc(C(C)(F)F)cc4C(F)(F)F)cc3)n[nH]2)CC1,QCBIZQYATJXYAH-UHFFFAOYSA-N
-rxn:4:219079:224323,Cc1cccc(CC(=O)N2CCCN(c3cc(-c4ccc(-c5cc(C)c(S(=O)(=O)N6CCCC6)c(C)c5)cc4)n[nH]3)CC2)c1,DEVFBCZFVUVZII-UHFFFAOYSA-N
-rxn:4:219108:223539,COc1ccc(-c2ccc(OC3CCN(C(=O)Cn4cnc5ccccc54)C3)nc2)cc1S(=O)(=O)N1CCC2(CC1)OCCO2,LQYVPIVEJJPFGS-UHFFFAOYSA-N
-rxn:4:219120:225890,C[Si](C)(C)CCOCn1cc(-c2cncc(C(=O)N3CC4CCCC4(COc4ncc(F)cn4)C3)c2)cn1,HWVAGRNBQBJARI-UHFFFAOYSA-N
-rxn:4:219128:225367,FC1(F)CCN(c2ncc(-c3cnc(OCC4CCN(Cc5nc6c(s5)CCC6)CC4)nc3)cn2)CC1,IXYFPSDSRKZVSY-UHFFFAOYSA-N
-rxn:4:219144:226655,O=C1c2ccccc2C(=O)N1CCN1CCC(Oc2ncc(-c3cc(Cl)cnc3N3CCCC3)cn2)CC1,WGFMNCJCKWNGMD-UHFFFAOYSA-N
-rxn:4:219175:223099,CN(C(=O)c1cc2nc(-c3ccc(-c4cccc(NC(=O)C(F)(F)F)c4)cc3)cc(C(F)(F)F)n2n1)C1CCCCC1,MOBXBYUSQSOEPI-UHFFFAOYSA-N
-rxn:4:219182:225535,CCN(CC)Cc1cc(-c2ccc(OC)cc2C(=O)N2CCN(C(=O)c3cc4n(n3)CCCC4)CC2)ccc1Cl,JZCRIKHHWASKOQ-UHFFFAOYSA-N
-rxn:4:219243:224617,CC(C)(C)OC(=O)N1CC(n2cnc(-c3ccc(OCCN4CCCC4)c(Cl)c3)n2)C1,UVKXBPZGYUZZCY-UHFFFAOYSA-N
-rxn:4:219245:222707,CC(C)(C)OC(=O)NCc1nccc(-c2cnn(C3CN(C(=O)OC(C)(C)C)C3)n2)c1F,BIFMSCNVSFZVLJ-UHFFFAOYSA-N
-rxn:4:219259:223695,Cc1cc(CN2CC(Cn3cc(-c4cccc(S(=O)(=O)N5CCC6(CC5)OCCO6)c4)cn3)C2)no1,JJOBAWGANPGZQX-UHFFFAOYSA-N
-rxn:4:219334:223079,CC(C)NS(=O)(=O)c1cccc(-c2nnc(N3CCN(C(=O)OC(C)(C)C)CC3)s2)c1,DIVBLRLOEHFDNW-UHFFFAOYSA-N
-rxn:4:219338:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cnc(OC2CCN(C(=O)N(C)C)CC2)nc1,COYCFJALRCTWHN-UHFFFAOYSA-N
-rxn:4:219340:224322,CC1CCN(S(=O)(=O)c2ccc(-c3ccc(C(=O)N4CCC(n5cc(C6CC6)nn5)C4)o3)cc2)CC1,MGVSINAQLDYRSZ-UHFFFAOYSA-N
-rxn:4:219384:223504,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(N4CCC(COc5ccncc5Cl)CC4)nc3)cc2[N+](=O)[O-])CC1,ZIOXJVRVVFUYGI-UHFFFAOYSA-N
-rxn:4:219410:224356,CC(C)(C)OC(=O)n1c(-c2cnc(OC3CCN(S(=O)(=O)N4CCOCC4)C3)nc2)cc2sc(Cl)cc21,FVVGQORRFDPZSD-UHFFFAOYSA-N
-rxn:4:219462:222975,Cc1cc(C(=O)NC2CC2)ccc1-c1cnc(OC2CCCN(S(=O)(=O)N3CCCC3)C2)nc1,CIJSPQJTXLBVBF-UHFFFAOYSA-N
-rxn:4:219469:226541,COC(=O)c1ccc(-c2cnc(SC)nc2N2CCCN(S(=O)(=O)C3CC3)CC2)cc1OC,JYVNRPIHQWPQRI-UHFFFAOYSA-N
-rxn:4:219473:225093,CCCOc1c(Cl)cc(-c2cnc(N3CCOC(C(=O)N4CCCC4)C3)nc2OC)cc1OCC,PTANZDFURFFPRW-UHFFFAOYSA-N
-rxn:4:219506:225047,Cc1cc(-c2ccc(S(=O)(=O)N3CCCN(S(=O)(=O)c4c[nH]cn4)CC3)cc2)cnc1N1CCC(C)CC1,DXRFKAIXGFMFKK-UHFFFAOYSA-N
-rxn:4:219543:225181,Cc1cc(C)c(C#N)c(N2CCN(S(=O)(=O)c3ccc(-c4cccc(CN5CCOCC5)c4F)cc3)CC2)n1,MMOXBNSZBSZQHN-UHFFFAOYSA-N
-rxn:4:219549:223754,CC1CCN(CCCOc2ccc(-c3cccc(C(=O)N4CCN(c5cc(-c6ccc(F)cc6)n[nH]5)CC4)c3)cc2Cl)CC1,MHAMJEOVSMEOBD-UHFFFAOYSA-N
-rxn:4:219560:225372,Cc1nc(S(=O)(=O)N2CCCN(C(=O)c3ccccc3-c3cc(F)c(OCC(F)(F)F)c(F)c3)CC2)cn1C,AXZXZTZFBBYHAW-UHFFFAOYSA-N
-rxn:4:219653:224192,CCN1CCN(Cc2ccc(F)cc2-c2ccc3nc(N4CCN(C(=O)OC(C)(C)C)CC4)sc3n2)CC1,VRADMOZZWXTNRP-UHFFFAOYSA-N
-rxn:4:219665:222786,CC(C)(C)OC(=O)Nc1cc(F)cc(-c2ccccc2C(=O)N2CCN(S(=O)(=O)c3cccc4nonc34)CC2)c1,CAEPTTMBTQBRFJ-UHFFFAOYSA-N
-rxn:4:219706:225052,CC1CCCCN1c1cc(F)cc(-c2cc3ncnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3cc2Cl)c1,AUHDZXWMDLAQTL-UHFFFAOYSA-N
-rxn:4:219745:224767,COc1ccc(-c2cccc(C(=O)N3CCOCC3)c2F)c(C(=O)N2CCC(n3cnc4ncccc4c3=O)CC2)c1,AEKJIJBBTUFUTO-UHFFFAOYSA-N
-rxn:4:219771:224018,O=C(c1ccccc1Cl)N1CCN(c2nc(-c3ccccc3)c3cc(-c4cc(F)c(F)cc4S(=O)(=O)N4CCOCC4)ccc3n2)CC1,VZFXWIUVKICQHF-UHFFFAOYSA-N
-rxn:4:219880:223585,COc1ccc(CN(C)S(=O)(=O)c2ccccc2-c2cnc(SC)nc2N2CCN(S(C)(=O)=O)CC2)cc1,OMNPNLSPUFHQFW-UHFFFAOYSA-N
-rxn:4:219902:225295,CC(C)N1CCN(c2c(-c3ccccc3S(=O)(=O)N3CCCC3)cncc2[N+](=O)[O-])CC1,BJNJKBPCLGWZFN-UHFFFAOYSA-N
-rxn:4:219903:222693,CC(C)N1CCN(c2ncc(-c3ccc(S(=O)(=O)NC4CCCCC4)cc3)cc2[N+](=O)[O-])CC1,LYBCBPIFCKTJOM-UHFFFAOYSA-N
-rxn:4:219904:224155,CN1CCN(c2cc(-c3cnc(C4CCN(S(=O)(=O)N(C)C)CC4)cn3)cc(C3CC3)c2)CC1,FZJITVQPRKRKCX-UHFFFAOYSA-N
-rxn:4:219904:224853,CN(C)S(=O)(=O)N1CCC(c2cnc(-c3ccc(C4CCC(C)(C)CC4)cc3)cn2)CC1,DCDLEGGBPMGZJK-UHFFFAOYSA-N
-rxn:4:219905:222934,CCNC(=O)c1cc(-c2cnc(N3CCN(C4CCC4)CC3)c(C#N)c2)cc([N+](=O)[O-])c1,HBXYNUVFNXDMDQ-UHFFFAOYSA-N
-rxn:4:219955:222684,O=C(C1CN(c2ncc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)cn2)CCO1)N1CCSCC1,ALKGYMPOMJJXED-UHFFFAOYSA-N
-rxn:4:219955:226232,CN(C)CCOc1cccc(-c2cnc(N3CCOC(C(=O)N4CCSCC4)C3)nc2)c1,BJUAWYNPJNFAIB-UHFFFAOYSA-N
-rxn:4:219981:222684,O=C(C1CCCN(c2ncc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)cn2)C1)N1CCSCC1,PYESAQOMUGERLD-UHFFFAOYSA-N
-rxn:4:220115:223669,Cn1c(=O)c2nc(SCc3ccc(-c4ccc(N5CCN(C(=O)OC(C)(C)C)CC5)nc4)cc3)n(C)c2n(C)c1=O,JTUFLTQDNAENGT-UHFFFAOYSA-N
-rxn:4:220134:222695,Cc1ccc(-c2ccccc2S(=O)(=O)N2C3CCC2CC(n2ccnn2)C3)cc1S(=O)(=O)NC1CCCC1,FFTGYTTWBDDUNG-UHFFFAOYSA-N
-rxn:4:220136:222604,COc1ccc(-c2ccc3ncnc(N4CCN(S(=O)(=O)C5CC5)CC4)c3c2)cc1S(=O)(=O)NC1CCCC1,DVJKCSPOERREGM-UHFFFAOYSA-N
-rxn:4:220136:223929,CC(C)(C)OC(=O)N1CCc2cc(-c3ccc4ncnc(N5CCN(S(=O)(=O)C6CC6)CC5)c4c3)cnc2C1,JYEBPBOOYKYUSM-UHFFFAOYSA-N
-rxn:4:220136:225080,COC(=O)C1CCc2cc(-c3ccc4ncnc(N5CCN(S(=O)(=O)C6CC6)CC5)c4c3)ccc2O1,UBUDORPIEKARHZ-UHFFFAOYSA-N
-rxn:4:220163:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cn(S(=O)(=O)c2ccccc2)c2ncnc(N3CCCCC3)c12,REYGRVKXERGWAP-UHFFFAOYSA-N
-rxn:4:220169:222807,Cn1c(=O)c2c(nc(-c3cc(C(=O)NC4CC4)cc([N+](=O)[O-])c3)n2CC(=O)c2ccc3c(c2)OCCO3)n(C)c1=O,GBOUXTLBZBVLTP-UHFFFAOYSA-N
-rxn:4:220205:222901,CCCS(=O)(=O)NCc1ccc(-c2ccc3nc(N4CCOC(C(=O)N5CCOCC5)C4)ncc3c2)cc1,XCGHGMYWVDAQCS-UHFFFAOYSA-N
-rxn:4:220257:224689,Cc1nc2c3ccc(-c4ccc(C(=O)N5CCCCC5)cc4Cl)cc3nn2c(C)c1CC(=O)N1CCOCC1,FSLQDNPRIKRKAW-UHFFFAOYSA-N
-rxn:4:220429:224849,c1nc(N2CCCN(C3CCOC3)CC2)ncc1-c1cc(C2CCCC2)cc(C2CC2)c1,PSSUMIKZQRNMPN-UHFFFAOYSA-N
-rxn:4:220495:223559,CC(=O)C(C)n1c(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)nc2c1c(=O)n(C)c(=O)n2C,JWFAAQXTWZAOIC-UHFFFAOYSA-N
-rxn:4:220521:224257,CC1CCCCN1C(=O)c1ccc(Cl)c(-c2cnc(N3CC4C(=O)N(c5ccccc5)C(=O)C4C3)nc2)c1,MMUKYPQDRZMGDC-UHFFFAOYSA-N
-rxn:4:220533:222928,Cc1nc(N2CCC(O)CC2)ncc1-c1cnc(N2CC(N3CC4CCCC4C3)C2)nc1,KEIFPUOPLNEDBU-UHFFFAOYSA-N
-rxn:4:220545:222602,CC(C)Cc1cc(-c2cnc(N3CCC(N4CCc5sccc5C4)CC3)nc2)c(S(=O)(=O)NC(C)(C)C)s1,DFNRANLATNQZPN-UHFFFAOYSA-N
-rxn:4:221101:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cnc(OCC2CCCN(C(=O)c3cn(C)nc3OC)C2)nc1,CEVFINDVCPIEFC-UHFFFAOYSA-N
-rxn:4:221105:222723,CCn1cc(S(=O)(=O)N2CCCC(COc3ncc(-c4cccc(NS(=O)(=O)N5CCOCC5)c4)cn3)C2)nc1C,GVEJGSOYHYTMTQ-UHFFFAOYSA-N
-rxn:4:221106:224301,COc1nccnc1N(C)CC1CCN(C(=O)c2cncc(-c3cc(O[Si](C)(C)C(C)(C)C)cc(F)c3F)c2)CC1,UBOMEQULEYFROP-UHFFFAOYSA-N
-rxn:4:221115:225950,CCOc1ccc(-c2cnc(-n3cc(C)cn3)nc2C)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N3CCOCC3)n2)CC1,GXMSOKXJRSPUTJ-UHFFFAOYSA-N
-rxn:4:221115:228409,CCOc1ccc(-c2c(F)ccc(OC)c2Cl)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N3CCOCC3)n2)CC1,KFJQZQPKSZSDIW-UHFFFAOYSA-N
-rxn:4:221121:224959,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(OCC6CCCCO6)cc5)ccc43)CC2)CC1,DWUFHKBXIMWPKY-UHFFFAOYSA-N
-rxn:4:221154:222722,N#Cc1ncccc1N1CCCC(COc2ncc(-c3cccc(S(=O)(=O)N4CCC(O)CC4)c3)cn2)C1,CUAVHUZRSZEWGO-UHFFFAOYSA-N
-rxn:4:221177:224620,CC(C)(C)[Si](C)(C)OCc1ccc(-c2cnc(N3CCC(COc4cc(C5CC5)ncn4)CC3)nc2)cn1,BCFOOUQVRAFOPF-UHFFFAOYSA-N
-rxn:4:221204:225278,COC(=O)c1ccc(C(=O)OC)c(-c2ccc(CCN3CCN(c4nccc(N5CCOCC5)n4)CC3)cc2)c1,UPPWZEXFYNGJGN-UHFFFAOYSA-N
-rxn:4:221232:225872,N#Cc1cc2c(nc1N1CCCC(COc3ncc(-c4cc(F)c(F)c(N5CCCC5)c4)cn3)C1)CCOC2,YLYDCSJZWKNHFM-UHFFFAOYSA-N
-rxn:4:221270:224652,CCOCCn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3ccc(Cl)c(O[Si](C)(C)C(C)(C)C)c3)cc2)n(C)c1=O,BYTOBWWJQDSPJD-UHFFFAOYSA-N
-rxn:4:221353:222634,O=C(c1cncc(-c2ccc(OCCNC3CCCC3)c(F)c2)c1)N1CCC(n2cc(C3CC3)nn2)C1,VSEBRVSTSLZFHE-UHFFFAOYSA-N
-rxn:4:221395:223784,CCN1CCN(CCOc2ccc(-c3cnc(N4CCC(Cn5cnc(C6CC6)cc5=O)CC4)nc3)cc2F)CC1,ZHIPFRXONJMKHW-UHFFFAOYSA-N
-rxn:4:221395:223895,CCN1CCN(CCOc2ccc(-c3cnc(N4CCC(Cn5cnc(C6CC6)cc5=O)CC4)nc3)cc2)CC1,JPBSLDYSXPQHFY-UHFFFAOYSA-N
-rxn:4:221395:223897,Cc1ccc(-c2cnc(N3CCC(Cn4cnc(C5CC5)cc4=O)CC3)nc2)cc1OCCCN1CCOCC1,HDEUQECOOFCFJO-UHFFFAOYSA-N
-rxn:4:221416:223102,CC(C)(C)NS(=O)(=O)c1sccc1-c1ccc(C(=O)N2CCN(c3ccc(N4CCCCC4)nn3)CC2)o1,NMCVHMWSTNAVCB-UHFFFAOYSA-N
-rxn:4:221416:226374,O=C(c1ccc(-c2cncnc2C2CCCCC2)o1)N1CCN(c2ccc(N3CCCCC3)nn2)CC1,ILODCODJJWHOBR-UHFFFAOYSA-N
-rxn:4:221417:223945,Cc1cc(C)n(-c2ccc(=O)n(C3CCN(C(=O)c4ccc(-c5ccc(OCCCN6CCOCC6)c(F)c5)o4)CC3)n2)n1,LAJSQAZDJHRVIQ-UHFFFAOYSA-N
-rxn:4:221430:224485,Cc1nn(-c2ccccc2)c(C)c1N1CCN(C(=O)c2cncc(-c3ccn([Si](C(C)C)(C(C)C)C(C)C)c3)c2)CC1,IZNOBPMWCAYGGX-UHFFFAOYSA-N
-rxn:4:221432:223071,CCS(=O)(=O)NCc1ccc(-c2cccc(C(=O)N3CCN(c4nc(C)cc(N5CCCC5)n4)CC3)c2)cc1,XCARITIETQBIIX-UHFFFAOYSA-N
-rxn:4:221436:222863,CCCCNC(=O)c1cc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCCCC5)nn4)CC3)cc2)ccc1Cl,KTIMMZLRAZMWNE-UHFFFAOYSA-N
-rxn:4:221436:226090,CCN(CC)Cc1cccc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCCCC5)nn4)CC3)cc2)c1,WTFRWCAKWFSDOX-UHFFFAOYSA-N
-rxn:4:221440:225220,Cc1cc(N2CCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cnc(N5CCCCC5C)c(Cl)c4)cc3)CC2)n1,RZYJSQQXBFJESZ-UHFFFAOYSA-N
-rxn:4:221445:225547,CCCCOc1cc(F)c(C)cc1-c1cccc(CN2CCN(c3cc(C)nc(N4CCOCC4)n3)CC2)c1,JRKYLTADPAWIFA-UHFFFAOYSA-N
-rxn:4:221447:226176,Cc1cc(N2CCN(Cc3ccc(-c4ccncc4C4CCCCC4)cc3)CC2)nc(N2CCOCC2)n1,HMVWKLLKZXRTIG-UHFFFAOYSA-N
-rxn:4:221452:223170,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3cccc(-c4cnc(C5CCCNC5)nc4)c3)CC2)n1,SURMGRIWFRHISJ-UHFFFAOYSA-N
-rxn:4:221453:223911,CCOC(=O)C1(c2ccc(-c3ccc(C(=O)N4CCN(c5nc(C)cc(N6CCCCC6)n5)CC4)cc3)cc2)CCOCC1,JFRIGIMDEHYEFH-UHFFFAOYSA-N
-rxn:4:221453:226045,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4ccc(C(F)(F)C(F)(F)F)nc4)cc3)CC2)n1,HYGHJLNMKFHHCL-UHFFFAOYSA-N
-rxn:4:221455:223561,CC(C)(C)OC(=O)N(c1ccccc1)c1ccc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCCCCC5)nn4)CC3)cc2)cc1,OXYRZJDOTRKVIN-UHFFFAOYSA-N
-rxn:4:221455:225725,CCOC(=O)c1ccc(C#N)c(-c2ccc(C(=O)N3CCN(c4ccc(N5CCCCCC5)nn4)CC3)cc2)c1,KGEXWJHMOPHEKR-UHFFFAOYSA-N
-rxn:4:221492:223523,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc(C(=O)N4CCC(c5nnc6ccc(OC)nn56)CC4)o3)c3ccccc23)CC1,XTADTVGVZUHUDL-UHFFFAOYSA-N
-rxn:4:221507:223529,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cnc(OCC4CCCN(c5ncnc6c5CCC6)C4)nc3)cc2F)CC1,OREGUIVDCDLHHA-UHFFFAOYSA-N
-rxn:4:221515:222961,CCCCNC(=O)c1cccc(-c2cncc(C(=O)N3CC4CN(c5cc(C6CC6)ncn5)CC4C3)c2)c1,SUPSDQPYONEHPR-UHFFFAOYSA-N
-rxn:4:221541:224082,CCC(C(=O)OC(C)(C)C)c1cccc(-c2ccc(N3CCn4c3nc3c4c(=O)n(CCOC)c(=O)n3C)cc2)c1,OACUDFPPSQAKSQ-UHFFFAOYSA-N
-rxn:4:221557:223693,COC(=O)Cn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3cc(O[Si](C)(C)C(C)(C)C)cc(C(F)(F)F)c3F)cc2)n(C)c1=O,YNLNWUXVGVIDBD-UHFFFAOYSA-N
-rxn:4:221563:225361,CC(C)CCn1c(=O)c2c(nc3n2CCCN3c2ccc(-c3cn(C4CCCC4)nc3C(F)(F)F)cc2)n(C)c1=O,BZXGVIBYUXXOSA-UHFFFAOYSA-N
-rxn:4:221599:223506,Cc1ccnc(N2CC(Cn3cc(-c4cccc(S(=O)(=O)N5CCN(C(=O)OC(C)(C)C)CC5)c4)cn3)C2)n1,ULTMUSSFGDDXHJ-UHFFFAOYSA-N
-rxn:4:221726:224379,CN1CCN(S(=O)(=O)c2ccccc2-c2cnc(N3CCC(N(C)C4=NS(=O)(=O)c5ccccc54)CC3)nc2)CC1,XOHQKEJJBKFXFE-UHFFFAOYSA-N
-rxn:4:221727:223785,CCN1CCN(CCOc2ccc(-c3cncc(C(=O)N4CCN(c5cc6c(nn5)CCCC6)CC4)c3)cc2Cl)CC1,YCUCHJUNJNBDAN-UHFFFAOYSA-N
-rxn:4:221727:224413,COc1cc(C(F)(F)F)cc(C(F)(F)F)c1-c1cncc(C(=O)N2CCN(c3cc4c(nn3)CCCC4)CC2)c1,HWMVTYAUMUSUCL-UHFFFAOYSA-N
-rxn:4:221980:225172,CC(C)(C)OC(=O)N1CCN(c2cc(=O)n3nc(-c4cncc(-c5cc(CN6CCOCC6)ccc5F)c4)sc3n2)CC1,DFXSWFPPXWPEKZ-UHFFFAOYSA-N
-rxn:4:221990:222782,COc1ccc(-c2cnc(NC(=O)OC(C)(C)C)c(C)c2)cc1-c1nnc2n(CCC(C)C)c3c(=O)n(C)c(=O)n(C)c3n12,QEYKCPDQANGYHC-UHFFFAOYSA-N
-rxn:4:222009:224572,CC1CCCN(c2ccc(-c3cnc(N4CCN(c5cc(C(F)F)nc(C6CC6)n5)CC4)nc3)c(C#N)c2)C1,LADHOWDXYMNFRO-UHFFFAOYSA-N
-rxn:4:222054:224606,CCCOc1cc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCN(C)CC5)nn4)CC3)o2)cc(Cl)c1OC(C)C,GRDGCZZGKKTXHB-UHFFFAOYSA-N
-rxn:4:222054:226180,Cc1cc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCN(C)CC5)nn4)CC3)o2)cc(C2CCCC2)n1,GVSUBESVFKAHPM-UHFFFAOYSA-N
-rxn:4:222054:227023,CC(c1ccc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCN(C)CC5)nn4)CC3)o2)cc1)N(C)C,GJKRKXYTDWGSOZ-UHFFFAOYSA-N
-rxn:4:222108:225619,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(Cl)cc6OC6CCCC6)cc5)no4)C3C2=O)cc1F,LVKOBDISRMYCTL-UHFFFAOYSA-N
-rxn:4:222111:223572,Cc1cc(N2CCCC(COc3ncc(-c4ccc(S(=O)(=O)N5CCC(C)CC5)c5ccccc45)cn3)C2)n2nc(C)cc2n1,BLVQKCQAEGMTIC-UHFFFAOYSA-N
-rxn:4:222143:224402,CCN(CC)S(=O)(=O)c1cc(F)c(F)cc1-c1ccc(N2CCCn3c2nc2c3c(=O)n(CCN3CCCCC3)c(=O)n2C)cc1,AKWFHISEWUMVML-UHFFFAOYSA-N
-rxn:4:222154:223482,Cc1nc(N2CCN(c3ncc(-c4ccc(OC(F)(F)F)c(S(=O)(=O)N5CCC6(CC5)OCCO6)c4)cn3)CC2)cc(C(F)(F)F)n1,FSFPRWJWKTZMEH-UHFFFAOYSA-N
-rxn:4:222161:224325,Cn1nc(C2CCN(c3ncc(-c4ccc(C5=CCN(S(C)(=O)=O)CC5)cc4)cn3)CC2)n(C2CC2)c1=O,SIUVUYJHPYPGGW-UHFFFAOYSA-N
-rxn:4:222229:224197,CCN1CCN(Cc2ccc(-c3cnc(N4CCN(c5ncnc6c5CCCC6)CC4)nc3)cc2F)CC1,PTADALBHLGYCIV-UHFFFAOYSA-N
-rxn:4:222335:224916,Cc1cc(N2CCN(c3ncc(-c4ccc(N5CCCC(C)C5)cc4C)cn3)CC2)nc(N2CCCC2)n1,XXKHURDLLOANCL-UHFFFAOYSA-N
-rxn:4:222338:223958,CCN1CCN(C(=O)c2ccc(-c3cnc(N4CCN(c5cc(N6CCOCC6)nc(C)n5)CC4)nc3)cc2F)CC1,COIOQPDYQKJULB-UHFFFAOYSA-N
-rxn:4:222351:224379,CN1CCN(S(=O)(=O)c2ccccc2-c2cnc(N3CCN(c4ccc5nc(C(C)(C)C)cn5n4)CC3)nc2)CC1,UXHCFKZTAUHXAM-UHFFFAOYSA-N
-rxn:4:222389:216343,Cc1ccc(C2=NN3C(C2)c2cc(-c4cc(C5CCNCC5)nc(C5CCNCC5)c4)ccc2OC3c2ccncc2)cc1,AQISPGNJDNSQEH-UHFFFAOYSA-N
-rxn:4:222432:174528,COc1ccc(C)c(-c2c(C(C)C)cc(C(C)C)cc2C(C)C)c1-c1ccc(S(=O)(=O)NC2CCCCC2)c2ccccc12,JKIHZKVVMRKYLB-UHFFFAOYSA-N
-rxn:4:222523:194808,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc3c(c2)c2c(n3CC(F)F)CCCC2)c(C(F)(F)F)c1,IJKXZAQEJQPDGB-UHFFFAOYSA-N
-rxn:4:222681:174514,CC(C)[Si](Oc1cccc(-c2cccc(CNC(=O)OC(C)(C)C)c2F)c1)(C(C)C)C(C)C,RLENUYNNORZHIG-UHFFFAOYSA-N
-rxn:4:222752:187659,Cc1cc(NC(=O)OC(C)(C)C)ccc1-c1ccc(C2(C)CCN(C(=O)OC(C)(C)C)CC2)cc1,DCHLCFGHLSTEEK-UHFFFAOYSA-N
-rxn:4:222812:185350,CC(C)CS(=O)(=O)C1CCN(C(=O)c2cccc(-c3cnc(Cl)c(NC(=O)OC(C)(C)C)c3)c2)CC1,BEXVLPDGFDHOLE-UHFFFAOYSA-N
-rxn:4:222960:185145,CCOC(=O)C1CCCN(S(=O)(=O)c2ccc(-c3cc(C)cc(C4CCNCC4)c3)cc2)C1,OJUYTFGUDJRABQ-UHFFFAOYSA-N
-rxn:4:222971:185546,COC(=O)c1cc(-c2ccc(NC(=O)C(C)(C)C)cc2)cc2c1OCCN(C(=O)OC(C)(C)C)C2,RLCYVGGYRIAEFI-UHFFFAOYSA-N
-rxn:4:222972:184093,CC(C)c1ccc(CN(C(=O)c2ccc(-c3ccccc3NC(=O)C(C)(C)C)cc2)C2CCS(=O)(=O)C2)cc1,AFJVSWIOTOOPBQ-UHFFFAOYSA-N
-rxn:4:222972:218696,Cc1nn(C(C)CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c(C)c1-c1ccccc1NC(=O)C(C)(C)C,FFXUPSXGAWEYKD-UHFFFAOYSA-N
-rxn:4:223002:185145,CCOC(=O)C1CCCN(S(=O)(=O)c2ccc(-c3ccc(C4CCNCC4)cc3F)cc2)C1,HOLZUYPRVXZASR-UHFFFAOYSA-N
-rxn:4:223080:199834,CC(C)NS(=O)(=O)c1ccc(-c2cc(CCN3CCN(C(=O)OC(C)(C)C)C(C)C3)ccc2F)cc1,UIYAVNONJTXFHV-UHFFFAOYSA-N
-rxn:4:223080:214144,CC(C)NS(=O)(=O)c1ccc(-c2c(C#N)cnc3c2CCN(C(=O)OC(C)(C)C)C3)cc1,CIJGWHFLYJXOSV-UHFFFAOYSA-N
-rxn:4:223080:214145,CC(C)NS(=O)(=O)c1ccc(-c2nc(C(F)(F)F)n3c2CN(C(=O)OC(C)(C)C)CC3)cc1,HPEFLJAFDCIYSN-UHFFFAOYSA-N
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-rxn:5:178295:227346:228267,CCCc1cc(F)c(-c2ccc(-c3c(F)ccc(C)c3OC)cc2C2(C(=O)OC)CCC(=O)CC2)c(F)c1,WWXWKAHNWGHBQT-UHFFFAOYSA-N
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-rxn:5:178295:228794:227077,CCC(C)c1ccc(-c2ccc(-c3ccc([Si](C)(C)C)s3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)c1,CWBRVHNPQZIWPB-UHFFFAOYSA-N
-rxn:5:178295:228800:227103,COC(=O)C1(c2cc(-c3sccc3C3CCCCC3)ccc2-c2cc(F)ccc2SC)CCC(=O)CC1,DCFYEFHIGOYJSQ-UHFFFAOYSA-N
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-rxn:5:178315:225498:223284,CC(C)(C)[Si](C)(C)Oc1cc(-c2ccc(NS(C)(=O)=O)cc2)cc(-c2cc(C3CCCCC3)ccc2F)c1,DYZKAJWRXYUJRU-UHFFFAOYSA-N
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-rxn:5:178353:226062:225451,Cc1cc(OS(=O)(=O)c2cc(C)c(-c3cc(C(C)C)cc(C(C)C)c3)cc2C)ccc1-c1ccc(SC2CCCCC2)cc1,CBOXKNODJXKRBO-UHFFFAOYSA-N
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-rxn:5:178467:227292:226663,CCOC(=O)C1=Cc2cc(-c3ccc(N4CCSCC4)nc3)cc(-c3ccc(F)c(CN(C)C)c3)c2OC1,HGWLAWLLNLFUTR-UHFFFAOYSA-N
-rxn:5:178467:227292:226685,CCOC(=O)C1=Cc2cc(-c3cnc(C4CCOCC4)nc3)cc(-c3ccc(F)c(CN(C)C)c3)c2OC1,QGPPBZZZAAULIY-UHFFFAOYSA-N
-rxn:5:178467:227375:223062,CCOC(=O)C1=Cc2cc(-c3cnc(C4CCNCC4)cc3F)cc(-c3ccc(N4CCCC4)nc3)c2OC1,XMVAVDQUTHFQKP-UHFFFAOYSA-N
-rxn:5:178467:227408:223140,CCOC(=O)C1=Cc2cc(-c3ccnc(C4CCCNC4)c3)cc(-c3cc(C4CCC4)ncc3F)c2OC1,RIEXMURSZNSCHW-UHFFFAOYSA-N
-rxn:5:178467:227408:226644,CCOC(=O)C1=Cc2cc(-c3cncc(N4CCOCC4)c3)cc(-c3cc(C4CCC4)ncc3F)c2OC1,LXOQDTLYQIQFQL-UHFFFAOYSA-N
-rxn:5:178467:227703:223133,CCOC(=O)C1=Cc2cc(-c3ccccc3N3CCNCC3)cc(-c3cnc(F)c(C(=O)OC)c3)c2OC1,AJBBARDDFZSCQD-UHFFFAOYSA-N
-rxn:5:178467:227960:223061,CCOC(=O)C1=Cc2cc(-c3cc(C4CCNCC4)ncc3F)cc(-c3ccncc3C3CCC3)c2OC1,YKNLJJKYCKWPMS-UHFFFAOYSA-N
-rxn:5:178467:227968:223061,CCOC(=O)C1=Cc2cc(-c3cc(C4CCNCC4)ncc3F)cc(-c3cnccc3C3CCC3)c2OC1,IMKRUTVOVVFODP-UHFFFAOYSA-N
-rxn:5:178467:228653:223004,CCOC(=O)C1=Cc2cc(-c3ccc(C4CCNCC4)c(F)c3)cc(-c3cnn4c3CCCC4)c2OC1,GHNGXUDYMURINN-UHFFFAOYSA-N
-rxn:5:178467:228653:223061,CCOC(=O)C1=Cc2cc(-c3cc(C4CCNCC4)ncc3F)cc(-c3cnn4c3CCCC4)c2OC1,CTTGXCANHWMTSZ-UHFFFAOYSA-N
-rxn:5:178467:228653:223065,CCOC(=O)C1=Cc2cc(-c3ccc(N4CCNCC4)cc3F)cc(-c3cnn4c3CCCC4)c2OC1,CLIHYFHHDPBQJD-UHFFFAOYSA-N
-rxn:5:178467:228703:223061,CCOC(=O)C1=Cc2cc(-c3cc(C4CCNCC4)ncc3F)cc(-c3cnn(C4CCC4)c3)c2OC1,GKIMDNWJIRLNOS-UHFFFAOYSA-N
-rxn:5:178467:228712:223061,CCOC(=O)C1=Cc2cc(-c3cc(C4CCNCC4)ncc3F)cc(-c3ccnn3C3CCC3)c2OC1,QSTNKVVESFOTQV-UHFFFAOYSA-N
-rxn:5:179418:223054:225622,CC(c1ccc(-c2cc(CS(C)(=O)=O)ccc2-c2ccccc2OC2CCCCO2)s1)N1CCC(O)C1,OCBUHRMKGTZMHX-UHFFFAOYSA-N
-rxn:5:179418:225884:223054,CC(c1ccc(-c2ccc(CS(C)(=O)=O)cc2-c2ccc(C3COCCO3)c(F)c2)s1)N1CCC(O)C1,VGOOBPKYPJRRHS-UHFFFAOYSA-N
-rxn:5:179629:223147:225805,COc1ccc(-c2ccc(C3CNCCO3)cc2)c(S(C)(=O)=O)c1-c1ccc(C(C)N2CCOCC2)s1,QPMCZIFPNGWKTP-UHFFFAOYSA-N
-rxn:5:180267:225811:225985,CSc1cc(C(C)(C)C)cc(-c2ccc(C3(C(F)(F)F)CC3)cc2)c1-c1cccc(N2CCCS2(=O)=O)c1,LDCITPUSHNBBMK-UHFFFAOYSA-N
-rxn:5:180267:225814:225985,CSc1cc(C(C)(C)C)cc(-c2cccc(C3(C(F)(F)F)CC3)c2)c1-c1cccc(N2CCCS2(=O)=O)c1,KQOUJJVKMMCAPD-UHFFFAOYSA-N
-rxn:5:180297:223001:227506,COc1cc(-c2cc(C3CCCNC3)ccc2F)c(C2(C)OCCO2)cc1-c1cccc(/C=C/[N+](=O)[O-])c1,LTVNNPZSLUSERF-ZRDIBKRKSA-N
-rxn:5:180421:225683:227611,Cc1nc(C2CCCOC2)ccc1-c1cc(CC2CCCCC2)ccc1-c1ccnn1C1CCCCO1,CKOUAPNVVGFFKP-UHFFFAOYSA-N
-rxn:5:180422:223186:226652,Cc1cc(-c2cc(CC3CCCCC3)ccc2-c2cnn(C3CCCCO3)c2)n(C2CCCCO2)n1,VBTJWGQWKJYDBX-UHFFFAOYSA-N
-rxn:5:180506:225886:225811,CC(C)(C)c1cc(-c2ccc3c(ccn3S(C)(=O)=O)c2)c(-c2ccc(C3(C(F)(F)F)CC3)cc2)c(C2OCCO2)c1,AVTMOGOAFFZFPS-UHFFFAOYSA-N
-rxn:5:180602:223010:223139,COC(=O)C1Cc2cc(-c3ccc(C4CCNCC4)nc3)cc(-c3ccc(C4(O)CCOCC4)cc3)c2O1,VSGZXFUXZBYQGR-UHFFFAOYSA-N
-rxn:5:180662:222987:226148,COC(=O)C1=Cc2cc(-c3cccc(C#C[Si](C)(C)C)c3)cc(-c3ccc(C4CCNCC4)nc3C)c2OC1,DFAQNOMZCXWOMW-UHFFFAOYSA-N
-rxn:5:180662:223007:227770,COC(=O)C1=Cc2cc(-c3cnc(OC)c([N+](=O)[O-])c3)cc(-c3cc(F)cc(C4CCNCC4)c3)c2OC1,AJBKMVVVLSMHIJ-UHFFFAOYSA-N
-rxn:5:180662:223065:227278,COC(=O)C1=Cc2cc(-c3ccc(C4(C#N)CC4)nc3)cc(-c3ccc(N4CCNCC4)cc3F)c2OC1,WZABGKJYQZFKTN-UHFFFAOYSA-N
-rxn:5:180662:223201:225926,COC(=O)C1=Cc2cc(-c3ccc(S(=O)(=O)N4CCC4)cc3)cc(-c3ccccc3C3CCNC3)c2OC1,IBNLXRSODPEKOG-UHFFFAOYSA-N
-rxn:5:180662:226364:226744,CCc1cc(-c2cc3c(c(-c4ccc(N5CCCCC5)nc4)c2)OCC(C(=O)OC)=C3)cnc1C(F)(F)F,IMALMRLUJDCCSD-UHFFFAOYSA-N
-rxn:5:180662:226572:223188,CNc1cc(C(F)(F)F)c(-c2cc3c(c(-c4cnc(OC5CCCC5)nc4)c2)OCC(C(=O)OC)=C3)cn1,MWMDLJIAENLETD-UHFFFAOYSA-N
-rxn:5:180662:226794:225874,COC(=O)C1=Cc2cc(-c3ccc(F)c(N4CCOCC4)c3)cc(-c3cnc(N4CCSCC4)nc3)c2OC1,FGDRPZFNDJGCEV-UHFFFAOYSA-N
-rxn:5:181626:225832:222981,Cc1nn(C2CCCCO2)c(C)c1-c1cccc(-c2ccnc(NC3CCCCC3)c2)c1C1OCCO1,MMMAQSUNLKXNCZ-UHFFFAOYSA-N
-rxn:5:181630:225656:225832,Cc1nn(C2CCCCO2)c(C)c1-c1c(-c2cncc(N3CCCCC3C)c2)cccc1C1OCCO1,SEFMAIRADIHNBU-UHFFFAOYSA-N
-rxn:5:181904:222985:225466,Cc1nc(C2CCCNC2)ccc1-c1ccc(C2OCCO2)c(C)c1-c1ccc(N2CCCCC2C)cc1,KPEHREUKXZWDEQ-UHFFFAOYSA-N
-rxn:5:181904:225466:222957,Cc1cc(-c2c(-c3ccc(N4CCCCC4C)cc3)ccc(C3OCCO3)c2C)cc(C2CCCNC2)c1,KMSFIXPHBVUPMH-UHFFFAOYSA-N
-rxn:5:181904:226426:222957,Cc1cc(-c2c(-c3ccc(N4CCC(C)CC4)s3)ccc(C3OCCO3)c2C)cc(C2CCCNC2)c1,QWWRGUZQYCHMBU-UHFFFAOYSA-N
-rxn:5:181905:222998:225832,Cc1ccc(-c2c(C)nn(C3CCCCO3)c2C)c(C2OCCO2)c1-c1cc(F)cc(C2CCCNC2)c1,UKNJILLVPCAYAR-UHFFFAOYSA-N
-rxn:5:181906:225466:226652,Cc1cc(-c2c(C)ccc(-c3ccc(N4CCCCC4C)cc3)c2C2OCCO2)n(C2CCCCO2)n1,CZVGSFQVEUPBEQ-UHFFFAOYSA-N
-rxn:5:181906:225607:226185,Cc1ccc(-c2ccc(C(C)N3CCCCC3)s2)c(C2OCCO2)c1-c1ccc(C2CCOCC2)cc1,WRXMBQPXXNVLRW-UHFFFAOYSA-N
-rxn:5:181906:225832:226059,Cc1ccc(-c2c(C)nn(C3CCCCO3)c2C)c(C2OCCO2)c1-c1ccc(C(C)C)cc1C(C)C,VHLZRKMYQZTNTD-UHFFFAOYSA-N
-rxn:5:181907:223135:225805,Cc1cc(-c2cccnc2C2CCCNC2)c(-c2ccc(C(C)N3CCOCC3)s2)c(C2OCCO2)c1,RXLBUMYPRIPECS-UHFFFAOYSA-N
-rxn:5:181907:226197:225607,Cc1cc(-c2ccc(C3CCCOC3)cc2)c(-c2ccc(C(C)N3CCCCC3)s2)c(C2OCCO2)c1,PKHYAECWECDXFD-UHFFFAOYSA-N
-rxn:5:181908:223134:225607,Cc1cc(-c2cnccc2C2CCCNC2)c(-c2ccc(C(C)N3CCCCC3)s2)cc1C1OCCO1,QZJJAYWVQSXYHA-UHFFFAOYSA-N
-rxn:5:181908:225453:225438,Cc1cc(-c2cccc(SC3CCCCC3)c2)c(-c2ccc(C(C)N3CCCC3)cc2)cc1C1OCCO1,VSOXLCHKNNGXSO-UHFFFAOYSA-N
-rxn:5:181908:225639:225455,Cc1ccc(N2CCCCC2)cc1-c1cc(C2OCCO2)c(C)cc1-c1cccnc1N1CCC(C)CC1,KKUYLQXXLBZBKT-UHFFFAOYSA-N
-rxn:5:181908:225641:225633,Cc1cc(-c2ccnc(N3CCCC(C)C3)c2)c(-c2ccc(N3CCCCCC3)nc2)cc1C1OCCO1,RKLVQQKOPMHIBH-UHFFFAOYSA-N
-rxn:5:181908:225677:222958,Cc1ccc(-c2cc(C3OCCO3)c(C)cc2-c2ccc(C3CCCCC3)nc2F)cc1C1CCNCC1,CODRHCUATIUCNN-UHFFFAOYSA-N
-rxn:5:181908:225832:226067,Cc1cc(-c2c(C)nn(C3CCCCO3)c2C)c(-c2ccc(C3=CCCCC3)cc2)cc1C1OCCO1,AYDBAEGLYXMNQR-UHFFFAOYSA-N
-rxn:5:182009:222957:225439,Cc1cc(-c2ccc(-c3cccc(C(C)N4CCCC4)c3)cc2C2CCOCC2)cc(C2CCCNC2)c1,METGITWQLULEPV-UHFFFAOYSA-N
-rxn:5:182009:222960:225638,Cc1cc(-c2ccc(-c3ccc(N4CCC(C)CC4)nc3)cc2C2CCOCC2)cc(C2CCNCC2)c1,UCSFPDXOYAYMCP-UHFFFAOYSA-N
-rxn:5:182009:225832:223147,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2ccc(C3CNCCO3)cc2)cc1C1CCOCC1,ZZZDKRLKHACQFV-UHFFFAOYSA-N
-rxn:5:182012:222960:225453,Cc1cc(-c2ccc(-c3cccc(SC4CCCCC4)c3)c(C3CCCOC3)c2)cc(C2CCNCC2)c1,HWAUGMQGLRYGQR-UHFFFAOYSA-N
-rxn:5:182012:225832:226183,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2cnccc2C2CCCCC2)c(C2CCCOC2)c1,JZWRYZZFTURLAG-UHFFFAOYSA-N
-rxn:5:188446:226663:223063,COC(=O)c1cc(-c2ccc(N3CCSCC3)nc2)c(-c2cc(F)nc(C3CCNCC3)c2)c([N+](=O)[O-])c1,AAEWXPVCKHZWOU-UHFFFAOYSA-N
-rxn:5:188868:225976:225868,CC(C)OC(=O)c1ccnc(-c2ccc(N3CCOCC3)c(F)c2)c1-c1ccnc(N2CCOCC2)c1F,FIVASFIWTLIBEY-UHFFFAOYSA-N
-rxn:5:188930:226382:225674,COC(=O)c1cc(S(N)(=O)=O)c(-c2cnc(C3CCCCC3)nc2)cc1-c1cnc(C2CCCCC2)cc1F,LEPKNMGKRZUMQT-UHFFFAOYSA-N
-rxn:5:188930:226643:223139,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccc(N3CCOCC3)nc2)cc1-c1ccc(C2CCNCC2)nc1,URHVWUWIOUOKHI-UHFFFAOYSA-N
-rxn:5:188930:227381:225674,COC(=O)c1cc(S(N)(=O)=O)c(-c2cnc(C3CCCC3)nc2)cc1-c1cnc(C2CCCCC2)cc1F,NAQSZBHMOAWSQZ-UHFFFAOYSA-N
-rxn:5:189001:223065:223061,COC(=O)C1(c2nc(-c3cc(C4CCNCC4)ncc3F)ccc2-c2ccc(N3CCNCC3)cc2F)CC1,VSJFKAZDHJPQFU-UHFFFAOYSA-N
-rxn:5:189001:225872:223131,COC(=O)C1(c2nc(-c3ccc(N4CCNCC4)cc3)ccc2-c2cc(F)c(F)c(N3CCCC3)c2)CC1,IZNMJYMWDSCDDL-UHFFFAOYSA-N
-rxn:5:189079:226583:223063,CCN(C)C(=O)c1ccc(-c2cc(F)nc(C3CCNCC3)c2)c(-c2ccc(CN3CCOCC3)s2)c1,GSLPLIMRAPQWPX-UHFFFAOYSA-N
-rxn:5:189082:223063:225978,CN(C)C(=O)Cc1ccc(-c2ccc(N3CCOCC3)nc2F)c(-c2cc(F)nc(C3CCNCC3)c2)c1,HYEGZHKBXSFUBQ-UHFFFAOYSA-N
-rxn:5:189083:223063:225976,CCN(C)C(=O)c1cccc(-c2cc(F)nc(C3CCNCC3)c2)c1-c1ccnc(N2CCOCC2)c1F,CGSSTYULJJTVOR-UHFFFAOYSA-N
-rxn:5:189207:222421:226464,COc1ccc2c(c1-c1ccc(-c3cncc(S(N)(=O)=O)c3)cc1C(=O)ON1C(=O)CCC1=O)OCCO2,MSAKTZNHTZMIEN-UHFFFAOYSA-N
-rxn:5:189323:225603:223294,CC(C)(C)OC(=O)c1cc(-c2csc(N3CCNCC3)n2)ncc1-c1cccc(C2(C#N)CCC2)c1F,BTVVVJKMOKMHCW-UHFFFAOYSA-N
-rxn:5:189538:225499:223183,CNS(=O)(=O)c1ccc(-c2cc(C(=O)N(C)C(C)C)ccc2-c2ccc(C3CCCCC3)cc2F)c(C)c1,ZZGUQDJYHQLDIZ-UHFFFAOYSA-N
-rxn:5:189664:225450:227045,CC(C)(C)Sc1cccc(-c2cc(-c3ccc(C(=O)C4CCCC4)cc3)ccc2CC(=O)N2CCCC2)c1,MGEIISYKOKVKIJ-UHFFFAOYSA-N
-rxn:5:189667:225453:226916,CC(C)(C)[S@](=O)/N=C/c1cc(-c2cccc(SC3CCCCC3)c2)cc(-c2cccc(C3=CCCC3)c2)c1,ZRGXMKNPVVMNMA-AVCHYZLGSA-N
-rxn:5:189668:225450:227052,CC(C)(C)Sc1ccc(-c2ccc(CC(=O)N3CCCC3)c(-c3ccc(C(=O)C4CCCC4)cc3)c2)cc1,RJDONUMBFANPBB-UHFFFAOYSA-N
-rxn:5:189672:226191:226067,CC(C)(C)S(=O)/N=C/c1cccc(-c2cc(C3CCCC3)ccc2F)c1-c1ccc(C2=CCCCC2)cc1,UVDSFMHJOKUBPP-GOJREDGKSA-N
-rxn:5:189676:227371:225453,COc1c(C)ccc(-c2cc(CC(=O)N3CCCC3)ccc2-c2cccc(SC3CCCCC3)c2)c1OC,JVMXSYDOULOANM-UHFFFAOYSA-N
-rxn:5:189718:228305:225594,CC(C)Oc1cnc(-c2cc(OC3CCOCC3)c([N+](=O)[O-])cc2-c2ccc(F)cc2CN2CCCC2)cn1,UOHUBDZFCFKJBP-UHFFFAOYSA-N
-rxn:5:189829:225613:227505,COc1c(-c2ccc(/C=C/[N+](=O)[O-])cc2)cc(C(=O)N2CCCC2)cc1-c1ccnc(OC2CCCCC2)c1,JQIUCGHZZXYVHN-NBVRZTHBSA-N
-rxn:5:189909:226771:223294,COC(=O)c1cc(F)c(F)cc1-c1ccc(-c2csc(N3CCNCC3)n2)cc1CCN1CCOCC1,JNDOCYZCFXGJDL-UHFFFAOYSA-N
-rxn:5:189952:222981:227799,COc1c(-c2ccnc(NC3CCCCC3)c2)cc(C(=O)N2CCOCC2)cc1-c1cnc(C(F)(F)F)c(F)c1,RSAJTKIKEOSLSQ-UHFFFAOYSA-N
-rxn:5:190000:227371:225499,COc1c(C)ccc(-c2cc(-c3ccc(C4CCCCC4)cc3F)ccc2CC(=O)N2CCCCC2)c1OC,IECPPOYRQNLTHW-UHFFFAOYSA-N
-rxn:5:190001:225407:228148,COc1cccc(-c2ccc(CC(=O)N3CCCCC3)cc2-c2ccc(C3CCCCCC3)cc2)c1OC,OBTNJYQFSCZCTN-UHFFFAOYSA-N
-rxn:5:190001:225593:227935,CCc1cc(-c2ccc(CC(=O)N3CCCCC3)cc2-c2cc(F)cc(CN3CCCC3)c2)ccc1OC,NBWYRALWONCDJI-UHFFFAOYSA-N
-rxn:5:190001:226069:227019,CC(C)(C#N)c1cccc(-c2ccc(CC(=O)N3CCCCC3)cc2-c2cccc(C3CCCCC3)c2)c1,OVHOXOUUZXSUQG-UHFFFAOYSA-N
-rxn:5:190001:226150:227018,CC(C)(C#N)c1ccc(-c2ccc(CC(=O)N3CCCCC3)cc2-c2cccc(SC3CCCC3)c2)cc1,SPRILKOUNVPMKK-UHFFFAOYSA-N
-rxn:5:190001:227052:225440,CC(C)(C)Sc1ccc(-c2cc(CC(=O)N3CCCCC3)ccc2-c2ccc(C3(C#N)CCCC3)cc2)cc1,LNBBRIINQKHTID-UHFFFAOYSA-N
-rxn:5:190001:227587:225453,COc1cc(-c2cc(CC(=O)N3CCCCC3)ccc2-c2cccc(SC3CCCCC3)c2)cc(F)c1OC,DJINGQMCUGPTHJ-UHFFFAOYSA-N
-rxn:5:190001:228430:225987,CSc1cc(F)c(-c2cc(CC(=O)N3CCCCC3)ccc2-c2ccc(N3CCCS3(=O)=O)cc2)c(F)c1,JWDRPIVKNVYIBV-UHFFFAOYSA-N
-rxn:5:190127:226067:227942,CCc1ccc(-c2ccc(-c3ccc(C4=CCCCC4)cc3)cc2C(=O)N2CCC(OC)CC2)c(OC)c1,OXYLIOQGNNDANK-UHFFFAOYSA-N
-rxn:5:190128:225453:228560,CCSc1ccccc1-c1cc(C(=O)N2CCC(OC)CC2)ccc1-c1cccc(SC2CCCCC2)c1,VKUIZXKKDILDAR-UHFFFAOYSA-N
-rxn:5:190128:227047:226913,CCc1cc(-c2cc(C(=O)N3CCC(OC)CC3)ccc2-c2cccc(SC3CCC3)c2)cc(C2CC2)c1,DALPBYHJYNKZDN-UHFFFAOYSA-N
-rxn:5:190128:228178:225453,COCc1ccc(F)c(-c2ccc(C(=O)N3CCC(OC)CC3)cc2-c2cccc(SC3CCCCC3)c2)c1,ARRKNFCCNVPDBH-UHFFFAOYSA-N
-rxn:5:190132:227935:225498,CCc1cc(-c2ccc(C(=O)N3CCC(OC)CC3)c(-c3cc(C4CCCCC4)ccc3F)c2)ccc1OC,BWRBFLYMMORUEC-UHFFFAOYSA-N
-rxn:5:190177:226059:223189,CC(C)c1ccc(-c2ccc(N3C(=O)CC(Sc4ccc(-c5ccc(NS(C)(=O)=O)cc5F)cc4)C3=O)cc2)c(C(C)C)c1,DYVWQKIMNDNQQP-UHFFFAOYSA-N
-rxn:5:190194:223010:227839,COC1CCN(Cc2cccc(-c3ccc(C4(O)CCOCC4)cc3)c2-c2c(C)cccc2C2CC2)CC1,AKHOHFWTZOUWMN-UHFFFAOYSA-N
-rxn:5:190194:225453:226969,COC1CCN(Cc2cccc(-c3cccc(SC4CCCCC4)c3)c2-c2ccc3c(c2)CCCC3=O)CC1,VCJLZGZDVQFEBQ-UHFFFAOYSA-N
-rxn:5:190194:225453:227872,COC1CCN(Cc2cccc(-c3cccc(SC4CCCCC4)c3)c2-c2ccc3c(c2)CCC3=O)CC1,VNFDUKKLRFKIGL-UHFFFAOYSA-N
-rxn:5:190194:225618:227562,COc1ccc(F)c(-c2c(CN3CCC(OC)CC3)cccc2-c2cccc(OC3CCCCO3)c2)c1OC,HEWCMIRHFWEOPL-UHFFFAOYSA-N
-rxn:5:190194:227056:225453,COc1cccc(C2CC2)c1-c1cccc(CN2CCC(OC)CC2)c1-c1cccc(SC2CCCCC2)c1,NMGJWFVNAPNPRP-UHFFFAOYSA-N
-rxn:5:190194:227349:226191,COc1cc(C)cc(-c2cccc(CN3CCC(OC)CC3)c2-c2cc(C3CCCC3)ccc2F)c1OC,COEBUJWIQDSGKH-UHFFFAOYSA-N
-rxn:5:190194:227591:226150,COc1cc(C(F)F)ccc1-c1cccc(CN2CCC(OC)CC2)c1-c1cccc(SC2CCCC2)c1,SPSGIAXTHKOQSI-UHFFFAOYSA-N
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-rxn:5:190199:222417:225784,CC(C)c1[nH]c(=O)ncc1-c1ccc(-c2ccc(CN3CCOCC3)nc2)cc1CN(C)C1CCOCC1,GNRCPAVGPBXUHA-UHFFFAOYSA-N
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-rxn:5:190741:226654:225833,CCOC(=O)c1cnc2c(-c3csc(N4CCC(C)CC4)n3)cc(C)cc2c1-c1ccnc(N2CCCCC2)c1F,GMJLRFBJTBAHIS-UHFFFAOYSA-N
-rxn:5:190742:223056:225671,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(N4CCC(O)CC4)nc3)c2c1-c1cc(C2CCCCC2)ncc1F,BRLFJCWMGKDSIQ-UHFFFAOYSA-N
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-rxn:5:190742:225638:225671,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(N4CCC(C)CC4)nc3)c2c1-c1cc(C2CCCCC2)ncc1F,PDPCCDMHQKLVST-UHFFFAOYSA-N
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-rxn:5:190742:225641:225677,CCOC(=O)c1cnc2c(C)ccc(-c3ccnc(N4CCCC(C)C4)c3)c2c1-c1ccc(C2CCCCC2)nc1F,RICWVPCAAYVBCC-UHFFFAOYSA-N
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-rxn:5:190742:225674:225674,CCOC(=O)c1cnc2c(C)ccc(-c3cnc(C4CCCCC4)cc3F)c2c1-c1cnc(C2CCCCC2)cc1F,CKOOPNQFKIYBLG-UHFFFAOYSA-N
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-rxn:5:190742:225833:223064,CCOC(=O)c1cnc2c(C)ccc(-c3ccnc(N4CCCCC4)c3F)c2c1-c1ccc(C2CCNCC2)nc1F,FZXXMFPHDMNVGM-UHFFFAOYSA-N
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-rxn:5:193382:226180:226447,Cc1cc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3ccnc(C4CCOCC4)c3)c2)cc(C2CCCC2)n1,BJRPJTJKQBGJHU-UHFFFAOYSA-N
-rxn:5:193382:226643:223141,O=S(=O)(c1ccc(-c2ccc(N3CCOCC3)nc2)cc1-c1cncc(C2CCNCC2)c1)N1CCOCC1,AEXHFIFFGLRMFC-UHFFFAOYSA-N
-rxn:5:193382:226662:223200,CN1CCN(c2ccc(-c3ccc(S(=O)(=O)N4CCOCC4)c(-c4ccc(C5CCNC5)cc4)c3)s2)CC1,GKOMFYZSOONGQR-UHFFFAOYSA-N
-rxn:5:193382:226662:223286,CN1CCN(c2ccc(-c3ccc(S(=O)(=O)N4CCOCC4)c(-c4cccc(NS(C)(=O)=O)c4)c3)s2)CC1,XHVCLEJNIDFADH-UHFFFAOYSA-N
-rxn:5:193382:227387:225641,CC1CCCN(c2cc(-c3cc(-c4ccnc(N5CCCC5)c4)ccc3S(=O)(=O)N3CCOCC3)ccn2)C1,ZGHDWSVOYRMAHB-UHFFFAOYSA-N
-rxn:5:193382:227501:222958,Cc1ccc(-c2cc(-c3ccc(C=C[N+](=O)[O-])cc3)ccc2S(=O)(=O)N2CCOCC2)cc1C1CCNCC1,BWNOBISLICIPCO-UHFFFAOYSA-N
-rxn:5:193382:227710:227684,CS(=O)(=O)Oc1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3cnn(CC4OCCO4)c3)c2)cc1,UVTNKNLLZMPISZ-UHFFFAOYSA-N
-rxn:5:193459:223065:223294,O=C(c1cc(-c2csc(N3CCNCC3)n2)cc(-c2ccc(N3CCNCC3)cc2F)c1)N1CCCCC1,CRAQLYKHBRVWBL-UHFFFAOYSA-N
-rxn:5:193459:226422:223294,O=C(c1cc(-c2csc(N3CCNCC3)n2)cc(-c2cc(F)ccc2N2CCCC2)c1)N1CCCCC1,URIYMHBRSQHKQL-UHFFFAOYSA-N
-rxn:5:193461:223294:223065,O=C(c1ccc(-c2csc(N3CCNCC3)n2)cc1-c1ccc(N2CCNCC2)cc1F)N1CCCCC1,YXMVOOGTFUDRGN-UHFFFAOYSA-N
-rxn:5:193506:223312:226662,CN1CCN(c2ccc(-c3cc(-c4ccc(C5CNC5)cc4)ccc3S(=O)(=O)N3CCC(=O)CC3)s2)CC1,MIRMDVOMVBJYSI-UHFFFAOYSA-N
-rxn:5:193506:225805:228879,CC(c1ccc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3ccnn3C3COC3)c2)s1)N1CCOCC1,OQJQAXMFVKDOPC-UHFFFAOYSA-N
-rxn:5:193506:227656:223295,CS(=O)(=O)Nc1cncc(-c2cc(-c3cc(N4CCOCC4)cs3)ccc2S(=O)(=O)N2CCC(=O)CC2)c1,KHGOZTZYOJOTRX-UHFFFAOYSA-N
-rxn:5:193541:226686:227684,Cc1cnn(C2CCCCO2)c1-c1cc(CN2CCCCC2)cc(-c2cnn(CC3OCCO3)c2)c1,YFYGBPIXSFAPTQ-UHFFFAOYSA-N
-rxn:5:193750:225440:225886,CC1CCN(C(=O)c2cc(-c3ccc(C4(C#N)CCCC4)cc3)ccc2-c2ccc3c(ccn3S(C)(=O)=O)c2)CC1,PNXSFDDHNVFUSU-UHFFFAOYSA-N
-rxn:5:193752:223288:226059,CNS(=O)(=O)c1cccc(-c2ccc(C(=O)N3CCCC(C)C3)cc2-c2ccc(C(C)C)cc2C(C)C)c1,CXBILQIWXIYKFI-UHFFFAOYSA-N
-rxn:5:193756:222981:226177,CC1CCCCN1C(=O)c1ccc(-c2ccnc(NC3CCCCC3)c2)cc1-c1ccnc(C2CCCCC2)c1,PJZWPMBDQDXCQR-UHFFFAOYSA-N
-rxn:5:193756:225641:228218,CC1CCCN(c2cc(-c3ccc(C(=O)N4CCCCC4C)c(-c4cc(C5CC5)ncc4F)c3)ccn2)C1,RKTZLOPDWYKAHI-UHFFFAOYSA-N
-rxn:5:193756:225808:225818,CC1CCCCN1C(=O)c1ccc(-c2cc(OC3CCCC3)ncc2F)cc1-c1ccc(C(F)(F)F)cc1C1CC1,OUTZZMDFJMXIPS-UHFFFAOYSA-N
-rxn:5:193756:225808:228321,COC(=O)c1cncc(-c2cc(-c3cc(OC4CCCC4)ncc3F)ccc2C(=O)N2CCCCC2C)c1,DXEBGYDBZWYWAC-UHFFFAOYSA-N
-rxn:5:193756:225938:228320,COC(=O)c1cc(-c2cc(-c3cc(C(F)(F)F)ncc3C3CC3)ccc2C(=O)N2CCCCC2C)ccn1,MATQKKFEWWSIQG-UHFFFAOYSA-N
-rxn:5:193756:226177:226587,CC1CCCCN1C(=O)c1ccc(-c2ccnc(C3CCCCC3)c2)cc1-c1cnc(OC2CCC2)cc1F,YKWHJLBSNQRNSP-UHFFFAOYSA-N
-rxn:5:193756:226366:225653,CC1CCCCN1C(=O)c1ccc(-c2ccnc(N3CCCCC3)c2)cc1-c1ccc(N2CCCCC2C)nc1,RHOQMMWJQAJCCA-UHFFFAOYSA-N
-rxn:5:193756:226374:227377,CC1CCCCN1C(=O)c1ccc(-c2cncnc2C2CCCCC2)cc1-c1cncnc1C1CCCC1,FJWKQAROISKXPU-UHFFFAOYSA-N
-rxn:5:193756:226745:225674,CCc1ncc(C(F)(F)F)cc1-c1ccc(C(=O)N2CCCCC2C)c(-c2cnc(C3CCCCC3)cc2F)c1,VWCUSBSOACEDOP-UHFFFAOYSA-N
-rxn:5:193756:227093:225653,CC1CCCCN1C(=O)c1ccc(-c2cccnc2C2CCCC2)cc1-c1ccc(N2CCCCC2C)nc1,WZSOEASBNPLVEC-UHFFFAOYSA-N
-rxn:5:193808:225407:228193,CC1CCN(Cc2cc(-c3ccc(C4CCCCCC4)cc3)ccc2-c2cnn(C3CCCC3)c2)CC1,OUWAIULEALETCX-UHFFFAOYSA-N
-rxn:5:193808:227458:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(-c2cnc3c(c2)OCCN3C)cc1CN1CCC(C)CC1,CDDVXAHEWKSENW-UHFFFAOYSA-N
-rxn:5:193809:226064:226062,CC1CCN(Cc2ccc(-c3ccc(C4CCCCC4)cc3)cc2-c2cc(C(C)C)cc(C(C)C)c2)CC1,MQNMGFAVZZESGN-UHFFFAOYSA-N
-rxn:5:193866:225886:225448,Cc1ccc(OC2CCCC2)c(-c2cc(C3(N4CCC(=O)CC4)CC3)ccc2-c2ccc3c(ccn3S(C)(=O)=O)c2)c1,YLWRYIGCLHGBPQ-UHFFFAOYSA-N
-rxn:5:193866:227045:226064,CC(C)(C)Sc1cccc(-c2ccc(C3(N4CCC(=O)CC4)CC3)cc2-c2ccc(C3CCCCC3)cc2)c1,CVAWLAVFVHPPHC-UHFFFAOYSA-N
-rxn:5:193867:227079:227768,CC(C)Cc1ccc(F)c(-c2cc(-c3cccn3S(=O)(=O)N(C)C)cc(C3(N4CCC(=O)CC4)CC3)c2)c1,WZJCQLGZGCBGLG-UHFFFAOYSA-N
-rxn:5:193868:223289:226059,CNS(=O)(=O)c1ccccc1-c1ccc(-c2ccc(C(C)C)cc2C(C)C)c(C(=O)N2CC(C)OC(C)C2)c1,TWMCMXAVZUJRFH-UHFFFAOYSA-N
-rxn:5:193869:226768:228253,CSc1ccc(-c2cc(C)c(-c3ccc(P(C)(C)=O)cc3)cc2S(=O)(=O)N2CCCCC2)cc1C(F)(F)F,QRCVMEJUMGPLAG-UHFFFAOYSA-N
-rxn:5:193870:227525:227052,CCc1cnc(C(F)F)cc1-c1cc(-c2ccc(SC(C)(C)C)cc2)c(S(=O)(=O)N2CCCCC2)cc1C,AIURWMVWVRTVHZ-UHFFFAOYSA-N
-rxn:5:193872:227490:227317,CC(C)(C)Oc1cc(-c2cc(C(=O)N3CCC4(CC3)CC4)ccc2-c2cnc(OC(C)(C)C)nc2)ccn1,GXXIVLHNEAAISD-UHFFFAOYSA-N
-rxn:5:193972:223065:229058,Cc1cc(-c2ccc(N3CCNCC3)cc2F)c(S(=O)(=O)N2CCCCCC2)cc1-c1cccnc1C#N,KTLSQTXPFUIZPJ-UHFFFAOYSA-N
-rxn:5:193972:226663:228890,Cc1cc(-c2ccc(N3CCSCC3)nc2)c(S(=O)(=O)N2CCCCCC2)cc1-c1cnc(F)c(C#N)c1,JHCNWUOTAGSKBH-UHFFFAOYSA-N
-rxn:5:193972:226663:228892,Cc1cc(-c2ccc(N3CCSCC3)nc2)c(S(=O)(=O)N2CCCCCC2)cc1-c1cc(F)nc(C#N)c1,YALZWQMLHJMBNT-UHFFFAOYSA-N
-rxn:5:193972:227718:228261,CSc1ccc(F)c(C)c1-c1cc(S(=O)(=O)N2CCCCCC2)c(-c2ccc(OC(F)F)cc2F)cc1C,XDNBYVPSYBPMOM-UHFFFAOYSA-N
-rxn:5:194058:223054:223002,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2ccc(C3CCNCC3)cc2F)s1)N1CCC(O)C1,FFGUZBDNXJJHCB-UHFFFAOYSA-M
-rxn:5:194058:223054:223065,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2ccc(N3CCNCC3)cc2F)s1)N1CCC(O)C1,VBOJXVFGJMHNCW-UHFFFAOYSA-M
-rxn:5:194058:223062:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc2[nH]cc(OS(=O)(=O)[O-])c2cc1-c1cnc(C2CCNCC2)cc1F,VZXVPQSWVOMVAJ-UHFFFAOYSA-M
-rxn:5:194058:223065:223054,CC(c1ccc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2ccc(N3CCNCC3)cc2F)s1)N1CCC(O)C1,HEEFQLXTMDSGPG-UHFFFAOYSA-M
-rxn:5:194661:226767:225881,COc1ccc(C(F)(F)F)c(-c2ccc(CN3Cc4cc(-c5ccc(C6CCOCC6)nc5F)ccc4OCC3=O)cc2)c1,OMCHEAIVBSLNNK-UHFFFAOYSA-N
-rxn:5:194792:228821:227379,Cc1ccc(-c2ccc(C3OC4(C(=O)c5ccccc5C4=O)C4C(=O)N(c5ccc(-c6cccnc6N6CCCC6)cc5)C(=O)C34)cc2)c(F)c1F,XJYDHAIZUKREDB-UHFFFAOYSA-N
-rxn:5:196188:225638:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(C2=NOCC2)c(-c2ccc(N3CCC(C)CC3)nc2)c1,VBTXBUCFKFLVOF-UHFFFAOYSA-N
-rxn:5:196188:225943:223061,O=C(c1ccc(-c2cc(-c3cc(C4CCNCC4)ncc3F)ccc2C2=NOCC2)s1)N1CCOCC1,OKFZMLPTNITHQI-UHFFFAOYSA-N
-rxn:5:196188:225943:223062,O=C(c1ccc(-c2cc(-c3cnc(C4CCNCC4)cc3F)ccc2C2=NOCC2)s1)N1CCOCC1,IEHIBZRAAOIGED-UHFFFAOYSA-N
-rxn:5:196188:225943:223064,O=C(c1ccc(-c2cc(-c3ccc(C4CCNCC4)nc3F)ccc2C2=NOCC2)s1)N1CCOCC1,ZAVRINPSTBMILP-UHFFFAOYSA-N
-rxn:5:196408:225943:223064,O=C(c1ccc(-c2cc(-c3ccc(C4CCNCC4)nc3F)ccc2C2=NOCCO2)s1)N1CCOCC1,FDQZFVUULVFCTD-UHFFFAOYSA-N
-rxn:5:196789:223061:223294,O=C1COCCN1c1ccc(-c2cc(C3CCNCC3)ncc2F)cc1-c1csc(N2CCNCC2)n1,ASUQESZALREKOC-UHFFFAOYSA-N
-rxn:5:196789:223062:223294,O=C1COCCN1c1ccc(-c2cnc(C3CCNCC3)cc2F)cc1-c1csc(N2CCNCC2)n1,WZKHIOWCRJDFLN-UHFFFAOYSA-N
-rxn:5:196790:223294:223061,O=C1COCCN1c1ccc(-c2cc(C3CCNCC3)ncc2F)cc1-c1csc(N2CCNCC2)n1,ASUQESZALREKOC-UHFFFAOYSA-N
-rxn:5:196790:223294:223062,O=C1COCCN1c1ccc(-c2cnc(C3CCNCC3)cc2F)cc1-c1csc(N2CCNCC2)n1,WZKHIOWCRJDFLN-UHFFFAOYSA-N
-rxn:5:196792:223294:223061,O=C1COCCN1c1cc(-c2cc(C3CCNCC3)ncc2F)ccc1-c1csc(N2CCNCC2)n1,HOXSXFNLIBJMDD-UHFFFAOYSA-N
-rxn:5:196794:223061:223294,O=C1COCCN1c1cc(-c2cc(C3CCNCC3)ncc2F)ccc1-c1csc(N2CCNCC2)n1,HOXSXFNLIBJMDD-UHFFFAOYSA-N
-rxn:5:196858:225470:222958,Cc1ccc(-c2cc(C3CCOCC3)ncc2-c2ccc(N3CCC(C)CC3)cc2)cc1C1CCNCC1,CBZKKQHHCMMWBS-UHFFFAOYSA-N
-rxn:5:196858:225832:223186,Cc1nn(C2CCCCO2)c(C)c1-c1cnc(C2CCOCC2)cc1-c1cnn(C2CCCCO2)c1,SETBKPMTNNJLST-UHFFFAOYSA-N
-rxn:5:196859:225832:226067,Cc1nn(C2CCCCO2)c(C)c1-c1c(C2CCOCC2)ccnc1-c1ccc(C2=CCCCC2)cc1,NLKPQWOKTUBKAU-UHFFFAOYSA-N
-rxn:5:196869:225832:226176,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(N2CCOCC2)c(-c2ccncc2C2CCCCC2)c1,GIKNUXUQNRDAIY-UHFFFAOYSA-N
-rxn:5:196870:225832:226182,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2cccnc2C2CCCCC2)cc(N2CCOCC2)c1,UTLNSGVRPZBMRN-UHFFFAOYSA-N
-rxn:5:196969:222959:225684,Cc1cc(-c2cnc(C3CCCCC3)cc2-c2ccc(C3CCOCC3)nc2C)ccc1C1CCNCC1,YOGDOCTXTRNMBR-UHFFFAOYSA-N
-rxn:5:196969:222960:222981,Cc1cc(-c2cnc(C3CCCCC3)cc2-c2ccnc(NC3CCCCC3)c2)cc(C2CCNCC2)c1,ZXSNMTPZPBDYDP-UHFFFAOYSA-N
-rxn:5:196969:225598:226686,Cc1cnn(C2CCCCO2)c1-c1cc(C2CCCCC2)ncc1-c1cccc(CN2CCSCC2)c1,YENPTTJMJYRLJN-UHFFFAOYSA-N
-rxn:5:196970:225407:225470,CC1CCN(c2ccc(-c3nccc(C4CCCCC4)c3-c3ccc(C4CCCCCC4)cc3)cc2)CC1,LZCYZKZSVVERMQ-UHFFFAOYSA-N
-rxn:5:196970:225439:222959,Cc1cc(-c2nccc(C3CCCCC3)c2-c2cccc(C(C)N3CCCC3)c2)ccc1C1CCNCC1,VMTOXMGRSBGLNM-UHFFFAOYSA-N
-rxn:5:196970:226686:225633,Cc1cnn(C2CCCCO2)c1-c1c(C2CCCCC2)ccnc1-c1ccc(N2CCCCCC2)nc1,TVGLUYULUMXISZ-UHFFFAOYSA-N
-rxn:5:196971:222956:225407,Cc1ccc(-c2cc(-c3ccc(C4CCCCCC4)cc3)c(C3CCCCC3)cn2)c(C2CCCNC2)c1,DFXZVRAUKFEXIW-UHFFFAOYSA-N
-rxn:5:196971:222959:225439,Cc1cc(-c2cc(-c3cccc(C(C)N4CCCC4)c3)c(C3CCCCC3)cn2)ccc1C1CCNCC1,MDPXBABODIBJGH-UHFFFAOYSA-N
-rxn:5:196971:225931:225814,Cc1cc(-c2cc(-c3cccc(C4(C(F)(F)F)CC4)c3)c(C3CCCCC3)cn2)cc(S(=O)(=O)N(C)C)c1,SANYDRFVKYIJJY-UHFFFAOYSA-N
-rxn:5:196977:222990:226686,Cc1cnn(C2CCCCO2)c1-c1cc(N2CCCCC2)ccc1-c1ccc(N2CCC(O)CC2)cc1,PTACXGJKHRRSPF-UHFFFAOYSA-N
-rxn:5:197876:225499:226070,CC(C)n1ccc2cc(-c3cc4c(cc3-c3ccc(C5CCCCC5)cc3F)S(=O)(=O)N(C(C)(C)C)C4=O)ccc21,FRWNEFIRNXKMLB-UHFFFAOYSA-N
-rxn:5:197876:225499:228624,CSc1cc(-c2cc3c(cc2-c2ccc(C4CCCCC4)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)ccc1C,UTPSTRNFNMVVTD-UHFFFAOYSA-N
-rxn:5:197876:226059:227824,CC(C)c1ccc(-c2cc3c(cc2-c2ccc(C4CCC4)cc2)C(=O)N(C(C)(C)C)S3(=O)=O)c(C(C)C)c1,XKLQFQAPFJQHKU-UHFFFAOYSA-N
-rxn:5:197876:226064:228431,CSc1c(F)cc(F)cc1-c1cc2c(cc1-c1ccc(C3CCCCC3)cc1)S(=O)(=O)N(C(C)(C)C)C2=O,UIZKSCXPWCLCFF-UHFFFAOYSA-N
-rxn:5:197876:226079:225436,CC(C)c1ccc2sc(-c3cc4c(cc3-c3ccc(CN5CCCCC5)cc3)C(=O)N(C(C)(C)C)S4(=O)=O)cc2c1,QOYRJNATLWLHQG-UHFFFAOYSA-N
-rxn:5:197876:226762:228563,CSc1cc(-c2cc3c(cc2-c2cc(CC(C)C)cs2)C(=O)N(C(C)(C)C)S3(=O)=O)cc(C(F)(F)F)c1,OAVNKIRFNONCKE-UHFFFAOYSA-N
-rxn:5:197876:226916:226179,CC(C)(C)N1C(=O)c2cc(-c3cncc(C4CCCCC4)c3)c(-c3cccc(C4=CCCC4)c3)cc2S1(=O)=O,NZENWSCWIIFDGG-UHFFFAOYSA-N
-rxn:5:197876:227091:227717,CC(C)(C)N1C(=O)c2cc(-c3ccc(F)cc3OC(F)F)c(-c3cncc(C4CCCC4)c3)cc2S1(=O)=O,GPICKOFMLHBEFF-UHFFFAOYSA-N
-rxn:5:197876:227103:227076,CCC(C)c1ccc(F)c(-c2cc3c(cc2-c2sccc2C2CCCCC2)S(=O)(=O)N(C(C)(C)C)C3=O)c1,RSWSSQAMJROYCS-UHFFFAOYSA-N
-rxn:5:197876:227315:227048,CC(C)Cc1cc(F)c(-c2cc3c(cc2-c2ccc(C(=O)C(C)C)cc2)C(=O)N(C(C)(C)C)S3(=O)=O)cn1,IDZNZOZHCJQVFY-UHFFFAOYSA-N
-rxn:5:197876:227408:227052,CC(C)(C)Sc1ccc(-c2cc3c(cc2-c2cc(C4CCC4)ncc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1,BJAJRMDAKFQLHL-UHFFFAOYSA-N
-rxn:5:197876:227419:226059,CC(C)c1ccc(-c2cc3c(cc2-c2ccc(C4CCC4)nc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c(C(C)C)c1,HYWDWEGWWUKRDV-UHFFFAOYSA-N
-rxn:5:197876:227724:226179,CC(C)(C)N1C(=O)c2cc(-c3cncc(C4CCCCC4)c3)c(-c3cc(OC(F)F)ccc3F)cc2S1(=O)=O,IYNLOBOQPLNZEM-UHFFFAOYSA-N
-rxn:5:197876:227826:226060,CC(C)(C)c1cccc(-c2cc3c(cc2-c2cc(C4CC4)cc(C4CC4)c2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,RJJCCUYTQGXBCL-UHFFFAOYSA-N
-rxn:5:197876:227898:226058,CC(C)Cc1cncc(-c2cc3c(cc2-c2c(C(C)C)cccc2C(C)C)C(=O)N(C(C)(C)C)S3(=O)=O)c1,WMWPIJXRWVUXTO-UHFFFAOYSA-N
-rxn:5:197876:227966:226064,CC(C)(C)c1ncccc1-c1cc2c(cc1-c1ccc(C3CCCCC3)cc1)C(=O)N(C(C)(C)C)S2(=O)=O,GVIZGWBDRHPYSG-UHFFFAOYSA-N
-rxn:5:197876:227988:226589,CC(C)c1cnc(C(F)F)cc1-c1cc2c(cc1-c1cccc(C3CC3)c1F)S(=O)(=O)N(C(C)(C)C)C2=O,DHQKXKUUTGADFT-UHFFFAOYSA-N
-rxn:5:197876:227997:226061,CC(C)c1cc(-c2cc3c(cc2-c2cc(C4CC4)ccc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc(C2CC2)c1,BYKHUJQNROKUJQ-UHFFFAOYSA-N
-rxn:5:197876:228003:226067,CSc1cc(C)c(-c2cc3c(cc2-c2ccc(C4=CCCCC4)cc2)C(=O)N(C(C)(C)C)S3(=O)=O)c(C)c1,BSDMQAKMROUTNU-UHFFFAOYSA-N
-rxn:5:197876:228005:225451,CSc1cc(C)c(-c2cc3c(cc2-c2ccc(SC4CCCCC4)cc2)C(=O)N(C(C)(C)C)S3(=O)=O)cc1C,NNTZKGLLUHUOJK-UHFFFAOYSA-N
-rxn:5:197876:228430:226146,CSc1cc(F)c(-c2cc3c(cc2-c2ccc(SC4CCCC4)cc2)C(=O)N(C(C)(C)C)S3(=O)=O)c(F)c1,NDYZTBSFFDIKEY-UHFFFAOYSA-N
-rxn:5:197876:228906:225499,CC(C)(C)N1C(=O)c2cc(-c3ccc(C4CCCCC4)cc3F)c(-c3ccnc(C(F)F)c3)cc2S1(=O)=O,SELOBPXCZSLTII-UHFFFAOYSA-N
-rxn:5:227926:178295:227076,CCC(C)c1ccc(F)c(-c2ccc(-c3ccc(SC(C)C)cc3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,BVJKBIWKNBLEDJ-UHFFFAOYSA-N
-rxn:5:227933:178295:226959,CCc1ccc(OC)cc1-c1ccc(-c2ccc3c(c2)CC(C)(C)O3)cc1C1(C(=O)OC)CCC(=O)CC1,NCQXYLVAPGQUGC-UHFFFAOYSA-N
-rxn:5:227933:178295:227714,CCc1ccc(OC)cc1-c1ccc(-c2ccc(SC(F)(F)F)cc2)cc1C1(C(=O)OC)CCC(=O)CC1,BVWFLVKMSJXSDR-UHFFFAOYSA-N
-rxn:5:227940:178295:227525,CCc1cc(SC)cc(-c2ccc(-c3cc(C(F)F)ncc3CC)cc2C2(C(=O)OC)CCC(=O)CC2)c1,FUBCMLTZFVVKIN-UHFFFAOYSA-N
-rxn:5:227974:178295:226913,CCc1cc(-c2ccc(-c3c(C)cc(OC)cc3C)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc(C2CC2)c1,XUSXKPNHNIUECK-UHFFFAOYSA-N
-rxn:4:173308:224285,COC(=O)c1ccc(-c2ccc(OCCN3CCOCC3)cc2F)c(OCCC(F)(F)F)c1,OIRJNWMXCFEJKU-UHFFFAOYSA-N
-rxn:4:173338:224188,COC(=O)C(C(=O)OC)C(=O)c1ccc(-c2ccc(C(=O)N(C(C)C)C(C)C)cc2Cl)cc1,NWIHASZVKPKYJM-UHFFFAOYSA-N
-rxn:4:173596:225438,COc1ccc(OC)c(-c2c(C(C)C)cc(C(C)C)cc2C(C)C)c1-c1ccc(C(C)N2CCCC2)cc1,CYIITUOOQHWVHM-UHFFFAOYSA-N
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-rxn:4:173670:223898,CCOC(=O)c1c(C)oc2cc(-c3ccc(N(C(=O)OC(C)(C)C)C(C)C)cc3)c(OCc3ccccc3C)cc12,WWFMZOCHKVVRPL-UHFFFAOYSA-N
-rxn:4:173704:225470,COc1cccc2c(-c3ccc(N4CCC(C)CC4)cc3)ccc(O[Si](C(C)C)(C(C)C)C(C)C)c12,QDDYWDPFDWYTKG-UHFFFAOYSA-N
-rxn:4:173710:223832,COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1-c1ccc(OCC(F)F)cc1OC(F)(F)F,NUSQKANMJTVAOW-UHFFFAOYSA-N
-rxn:4:173763:223559,COC(=O)C(=O)CC(=O)c1ccc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)cc1,ISUTYFSLGGYNPK-UHFFFAOYSA-N
-rxn:4:173802:224276,CC(C)(C)OC(=O)n1cc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)c2ncccc21,XWWWZTHPNRLIRE-UHFFFAOYSA-N
-rxn:4:173802:224967,COC(=O)c1cc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)cc(C(C)(C)C)c1,DLTQQKVBQZAMGA-UHFFFAOYSA-N
-rxn:4:173802:225654,CC1CCCN(c2ccc(-c3ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc3)cn2)C1,MVQVLKXFFPVHBO-UHFFFAOYSA-N
-rxn:4:173806:224585,CC1CCN(C(=O)c2ccc(-c3cc(OC(C(F)(F)F)C(F)(F)F)ccc3C(F)(F)F)cc2)CC1,ZORPKACIDIBTJO-UHFFFAOYSA-N
-rxn:4:174009:223567,COC(=O)C(C(C)=O)C(=O)c1ccc(-c2cc3cc(OC(C)C)ccc3n2C(=O)OC(C)(C)C)cc1,BSDUVKQPKZVBOL-UHFFFAOYSA-N
-rxn:4:174015:224713,CCCCOc1ccc(-c2ccc(OCC(=O)C3CC3)c(C(F)(F)F)c2)c(C(F)(F)F)c1,VVUHRRJGRNGHTJ-UHFFFAOYSA-N
-rxn:4:174058:223846,CCOC(=O)c1cc(OC)c(OC)cc1-c1cc(C)cc(C2CC3CCC2(C)C3(C)C)c1,LJYGNKPBQSLXIG-UHFFFAOYSA-N
-rxn:4:174404:223694,CCN1CCN(S(=O)(=O)c2cc(-c3cc(C(=O)OC)cc(-c4ccc(OC(F)(F)F)cc4)c3C)c(F)cc2C)CC1,BFFDECXNLSJVMY-UHFFFAOYSA-N
-rxn:4:174440:223660,CC(C)CCOc1ccc(-c2ccc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)s3)cc2)cc1,RVKURMVAJWUPHK-UHFFFAOYSA-N
-rxn:4:174441:224842,Cc1ccc(-c2ccc3c(c2)C(C)(C)CCC3(C)C)c(OC2(C(=O)OC(C)(C)C)CC2)c1,QPWVNQRORSGGJM-UHFFFAOYSA-N
-rxn:4:174444:224078,COC(=O)c1cc(F)c(OCC2CCCCC2)c(-c2cccc3c2ccn3[Si](C)(C)C(C)(C)C)c1,ZNDRIKKDLHTMLD-UHFFFAOYSA-N
-rxn:4:174467:222703,CC(C)(C)[Si](C)(C)OCCc1cccc(-c2ccc(C(F)(F)F)c(C3CCNCC3)c2)c1,DJKGKCWPEDLEIM-UHFFFAOYSA-N
-rxn:4:174498:224125,COc1cccc(-c2cc(C(=O)OC(C)(C)C)cc(-c3ccc(CN4CCN(C5CC5)CC4)cc3)c2)c1F,GYXGDSBNKFJWRY-UHFFFAOYSA-N
-rxn:4:174503:223638,CC(C)Oc1cccc(OC(C)C)c1-c1ccccc1-c1cccc(C2CCCN(C(=O)OC(C)(C)C)C2)c1,RKZRSVPWOSAQTL-UHFFFAOYSA-N
-rxn:4:174514:223766,CC(C)[Si](Oc1cccc(-c2cc3cc(C#N)ccc3n2C(=O)OC(C)(C)C)c1)(C(C)C)C(C)C,DCLGBQKMHPCBSF-UHFFFAOYSA-N
-rxn:4:174514:223999,CC1CCN(S(=O)(=O)c2ccc(F)c(-c3cccc(O[Si](C(C)C)(C(C)C)C(C)C)c3)c2)CC1,RIYHKRFNOSCBQP-UHFFFAOYSA-N
-rxn:4:174515:222646,Cc1cc(NC(=O)OC(C)(C)C)cc(C)c1-c1ccc(O[Si](C(C)C)(C(C)C)C(C)C)cc1,BUGNJTWMZRPQLX-UHFFFAOYSA-N
-rxn:4:174515:223712,COc1ccc(-c2ccc(O[Si](C(C)C)(C(C)C)C(C)C)cc2)cc1C12CC3CC(CC(C3)C1)C2,ASQDQZOHNCQQEZ-UHFFFAOYSA-N
-rxn:4:174515:224493,CC(C)[Si](Oc1ccc(-c2ccc(CO[Si](C)(C)C(C)(C)C)cc2)cc1)(C(C)C)C(C)C,AWUKHVTZLVHELS-UHFFFAOYSA-N
-rxn:4:174522:222945,CC(C)NS(=O)(=O)c1ccc(-c2ccc(C#C[Si](C(C)C)(C(C)C)C(C)C)cc2)cc1F,HCWPPAJDLOCUMF-UHFFFAOYSA-N
-rxn:4:174528:224874,COc1ccc(C)c(-c2c(C(C)C)cc(C(C)C)cc2C(C)C)c1-c1cccc(COC2CCCCC2)c1,CLYNJBJIYRMCRB-UHFFFAOYSA-N
-rxn:4:174647:224199,COC(=O)C1=C(C(=O)OC)C2(OC1c1ccc(-c3ccc(CN4CCN(C(C)=O)CC4)cc3)cc1)C(=O)c1ccccc1C2=O,LXGNWPKPOXUPDY-UHFFFAOYSA-N
-rxn:4:174656:223766,CC(C)[Si](C#Cc1cccc2cccc(-c3cc4cc(C#N)ccc4n3C(=O)OC(C)(C)C)c12)(C(C)C)C(C)C,RJISGBMLEPMGGW-UHFFFAOYSA-N
-rxn:4:174661:223699,CCCCCCc1ccc2c(c1)Cc1cc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3C(F)(F)F)ccc1-2,KBLANSADPUOVLX-UHFFFAOYSA-N
-rxn:4:174663:225058,Cc1ccc(-c2ncc(-c3ccc(S(=O)(=O)OCC(=O)[C@H]4CC[C@H]5[C@@H]6CCC7=CC(=O)CC[C@]7(C)[C@H]6CC[C@]45C)cc3)cc2Cl)cc1,LQMSXWBLRONFTN-YMXGYGEZSA-N
-rxn:4:175213:223559,C#Cc1cc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)ccc1OCC(C)C,OIIXERBEBOIZIV-UHFFFAOYSA-N
-rxn:4:175215:223497,COC(=O)CC(C)c1ccc(-c2ccc(C(C)N3CCC(O[Si](C)(C)C(C)(C)C)CC3)cc2)cc1,BKGOHRCPEYTMHM-UHFFFAOYSA-N
-rxn:4:175606:222513,COC(=O)c1cc(F)c(OC2CCOC2)cc1-c1cc(S(=O)(=O)NC2CCCCC2)ccc1OC,OATQKTHOVLSBQV-UHFFFAOYSA-N
-rxn:4:175843:223559,COC(=O)c1cccc(-c2ccc(-c3ccc4c(c3)C(C)=CC(C)(C)N4C(=O)OC(C)(C)C)c(OC)c2)c1,XCXXGBVLHDWVJA-UHFFFAOYSA-N
-rxn:4:175862:223809,CC[Si](CC)(CC)c1c(F)ccc(-c2cc(N3CCOCC3)cc(N3CCOCC3)c2)c1F,FRNSIHSSFKMMEQ-UHFFFAOYSA-N
-rxn:4:175989:223948,COC(=O)c1cc(C(=O)OC(C)(C)C)cc(-c2ccc(OCC3CCCCC3)cc2C(F)F)c1,BEMKNPIEWJBULM-UHFFFAOYSA-N
-rxn:4:175989:224732,CC(C)(C)COS(=O)(=O)c1ccc(-c2ccc(OCC3CCCCC3)cc2C(F)F)cc1,MKJWGPOVRGRNDN-UHFFFAOYSA-N
-rxn:4:176104:224806,CC(=O)c1cccc(-c2ccc(S(=O)(=O)N(C)C3CC3)cc2F)c1OCC1CCCCC1,ZXBDCFISXFOWMQ-UHFFFAOYSA-N
-rxn:4:176119:223974,CC1CCN(c2ccc(-c3cc(C(=O)OC(C)(C)C)cc(-c4ccc(Cl)cc4F)c3)c(C(F)(F)F)c2)CC1,FLDXVQTZZAUALM-UHFFFAOYSA-N
-rxn:4:176131:223904,CC(C)(C)OC(=O)N1CC(c2cccc(-c3cc(SC(C)(C)C)cc(SC(C)(C)C)c3)c2)C1,RWUUSYYOTPJBLI-UHFFFAOYSA-N
-rxn:4:176131:224188,CC(C)N(C(=O)c1ccc(-c2cc(SC(C)(C)C)cc(SC(C)(C)C)c2)c(Cl)c1)C(C)C,GMNSGEBECKIZIA-UHFFFAOYSA-N
-rxn:4:176140:223529,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc(OCC4CCCCC4)c(C(C)(F)F)c3)cc2F)CC1,XWZHKQXVACVQLF-UHFFFAOYSA-N
-rxn:4:176182:223583,COC(=O)c1ccc2c(-c3ccccc3-c3c(C(C)C)cc(C(C)C)cc3C(C)C)cn(C(=O)OC(C)(C)C)c2c1,YPKDBURUYVPBNA-UHFFFAOYSA-N
-rxn:4:176307:226509,CC(C)COc1ccc(-c2cccc(C=C3Oc4cc(OC(=O)C5CCCCC5)ccc4C3=O)c2)c(F)n1,WDSWZYGVKRGHCZ-UHFFFAOYSA-N
-rxn:4:176321:224561,Cc1c(O[Si](C)(C)C(C)(C)C)cccc1-c1cccc(C(=O)Oc2cc3c4c(oc3cc2C(C)(C)C)CCCC4)c1,ZOANMBJSQXJOOB-UHFFFAOYSA-N
-rxn:4:176322:227075,CCC1(CC)CC(C)(C)c2c1cc1c(c2-c2cc(OC)cc(C(C)C)c2)C(C)(C)CC1(CC)CC,QBXDTOYFYAJLDX-UHFFFAOYSA-N
-rxn:4:176322:228185,CCC1(CC)CC(C)(C)c2c1cc1c(c2-c2cc(COC)ccc2Cl)C(C)(C)CC1(CC)CC,YMEISDKHTUOSIE-UHFFFAOYSA-N
-rxn:4:176500:223529,CSc1cc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)c(F)c2)ccc1OC(F)(F)F,XKDXHLBFRFVKQV-UHFFFAOYSA-N
-rxn:4:177486:223637,CC(C)(C)OC(=O)N1CCCC(c2ccccc2-c2ccc(S(C)(=O)=O)cc2OC2CC2)C1,IZJIDRJNCPHYNC-UHFFFAOYSA-N
-rxn:4:178296:223568,COC(=O)C1(c2ccc(F)c(-c3cnc4c(ccn4[Si](C(C)C)(C(C)C)C(C)C)c3Cl)c2)CCC(=O)CC1,AHPDTSNPQROMSW-UHFFFAOYSA-N
-rxn:4:178316:223843,CCN(CC)S(=O)(=O)c1ccc(-c2ccc(F)c(O[Si](C)(C)C(C)(C)C)c2)c(C(F)(F)F)c1,WZDKSRRCQOXBQP-UHFFFAOYSA-N
-rxn:4:178381:224729,COc1nccc(-c2c(C(C)(C)C)cc(C(C)(C)C)cc2C(C)(C)C)c1C(=O)OC(C)(C)C,KVOFEYNSTNIMPA-UHFFFAOYSA-N
-rxn:4:178384:226556,CCCOc1cc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)cc(Cl)c1F,IRMRGJZBWPALGV-UHFFFAOYSA-N
-rxn:4:178384:229183,Fc1cc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c(F)cn1,DKOXHGYYXSULCO-UHFFFAOYSA-N
-rxn:4:178456:223542,CCOC(=O)c1cc2c(C)c(-c3ccc(OC(F)(F)F)c(S(=O)(=O)N4CCN(C)CC4)c3)ccc2o1,TYYXKEGTJDVDKW-UHFFFAOYSA-N
-rxn:4:178597:226442,Cc1nc(-c2ccco2)ccc1-c1ccc(OC(=O)C2OC3OC(C)(C)OC3C3OC(C)(C)OC23)cc1,JNGCSUWFEMWULC-UHFFFAOYSA-N
-rxn:4:178597:227876,Cc1oc2ccccc2c1-c1ccc(OC(=O)C2OC3OC(C)(C)OC3C3OC(C)(C)OC23)cc1,FJOIZKFNPVRDJM-UHFFFAOYSA-N
-rxn:4:178597:228589,CC(C)c1ccc(-c2ccc(OC(=O)C3OC4OC(C)(C)OC4C4OC(C)(C)OC34)cc2)cn1,JFKXEUTZBUELJC-UHFFFAOYSA-N
-rxn:4:178597:229245,Cc1cc(-c2ccc(OC(=O)C3OC4OC(C)(C)OC4C4OC(C)(C)OC34)cc2)n(C)n1,MWKJAAZYHMIOCD-UHFFFAOYSA-N
-rxn:4:178751:223645,CCOC(=O)C1CCCN(C(=O)c2cccc(-c3cccc(Cl)c3C(=O)C(F)(F)F)c2)C1,ZUIYZUSUBYOJND-UHFFFAOYSA-N
-rxn:4:178957:223834,Cc1cc(-c2cc(C(F)(F)F)ccc2C(F)(F)F)cc(C)c1S(=O)(=O)N1CCN(C)CC1,CPENOTCQAQKWGF-UHFFFAOYSA-N
-rxn:4:180430:223557,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc(S(=O)(=O)C4CCCCC4)cc3)c(F)ccc21,SSUBVFJHZNQSDB-UHFFFAOYSA-N
-rxn:4:180486:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3cc(C4CC4)ccc3C3CCOCC3)cc2)CC1,NNBILXQZMHCZRH-UHFFFAOYSA-N
-rxn:4:180489:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3cc(C4CC4)cc(C4CCCOC4)c3)cc2)CC1,KCQNGZQHAPSELM-UHFFFAOYSA-N
-rxn:4:180504:222573,O=C(NCC1CCCCC1)c1cc(F)cc(-c2ccc(C3CC3)c(C3CCCCO3)c2)c1,PJJWTJIUMRSCNJ-UHFFFAOYSA-N
-rxn:4:180815:224350,COc1ccc(-c2cnc(C3CCCCC3)c(C(F)(F)F)c2)cc1C12CC3CC(CC(C3)C1)C2,WJMKDKGBWYJZNB-UHFFFAOYSA-N
-rxn:4:180815:224917,COc1ccc(-c2ccc(N3CCC(C)CC3)cc2C)cc1C12CC3CC(CC(C3)C1)C2,DOKYUOPVVDZMDQ-UHFFFAOYSA-N
-rxn:4:181607:223531,Cc1ccc(S(C)(=O)=O)c(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)c(Cl)c2)c1,AEYYLRGYIJOJKW-UHFFFAOYSA-N
-rxn:4:182354:223754,COc1ccc(-c2ccc(OCCCN3CCC(C)CC3)c(Cl)c2)c2c1OC1(CCCC1)C2,GAWFCMUQXGAYNY-UHFFFAOYSA-N
-rxn:4:182372:222634,CO[C@H]1CC[C@]2(CC1)Cc1ccc(-c3ccc(OCCNC4CCCC4)c(F)c3)cc1C2=O,JXWRXIZNMSIMNT-UEZMCPDZSA-N
-rxn:4:182372:224594,CO[C@H]1CC[C@]2(CC1)Cc1ccc(-c3ccccc3C3CCCCN3C(C)=O)cc1C2=O,XKIDBOAHLCVNNX-PPJMXFFBSA-N
-rxn:4:182372:224782,CO[C@H]1CC[C@]2(CC1)Cc1ccc(-c3cc(F)c(F)c(N4CCN(C)CC4)c3)cc1C2=O,RUIMHLKPPGUZNY-AEEMYVKYSA-N
-rxn:4:182376:224246,CO[C@H]1[C@H](C)C[C@@]2(Cc3ccc(-c4ccc(C(=O)N5CCC(C)CC5)c(F)c4)cc3C2=O)C[C@@H]1C,FSSXNCUSQYXWLH-PHGIZGRBSA-N
-rxn:4:182376:224607,CO[C@H]1[C@H](C)C[C@@]2(Cc3ccc(-c4ccc(C(=O)OCC[Si](C)(C)C)cc4)cc3C2=O)C[C@@H]1C,MZYOISUQVUSQCV-QYWINIKXSA-N
-rxn:4:182376:224617,CO[C@H]1[C@H](C)C[C@@]2(Cc3ccc(-c4ccc(OCCN5CCCC5)c(Cl)c4)cc3C2=O)C[C@@H]1C,FGXOWSDFXRMBQN-BFVWLKTBSA-N
-rxn:4:182376:224845,CO[C@H]1[C@H](C)C[C@@]2(Cc3ccc(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)cc3C2=O)C[C@@H]1C,YMTCNCCDOKLZAW-QMEWRSTKSA-N
-rxn:4:182376:225200,CO[C@H]1[C@H](C)C[C@@]2(Cc3ccc(-c4ccc(F)c(OC5CCCC5)c4F)cc3C2=O)C[C@@H]1C,DCFIPSJDLFMMJE-GFBKLXCLSA-N
-rxn:4:182765:223497,CC(c1ccc(-c2ccc3c(c2)OC(F)(F)C3(F)F)cc1)N1CCC(O[Si](C)(C)C(C)(C)C)CC1,VBOFEEDZDSWHMQ-UHFFFAOYSA-N
-rxn:4:183272:223185,c1cc2c(cc1-c1cnc(C3CNCCO3)nc1)OCCOCCOCCOCCOCCO2,CUVRRLDOJJPPES-UHFFFAOYSA-N
-rxn:4:183272:228401,COc1c(F)ccc(F)c1-c1ccc2c(c1)OCCOCCOCCOCCOCCO2,NGFQWPMEWDYGIO-UHFFFAOYSA-N
-rxn:4:183274:223510,CC1(C)c2ccccc2-c2ccc(-c3ccc(-c4ccc5c(c4)OCCOCCOCCOCCOCCOCCOCCO5)cc3)cc21,TUDKBPIAWCWLBY-UHFFFAOYSA-N
-rxn:4:183274:226632,Cc1nc(-n2ccnc2)ccc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCOCCO2,RGCNZSFOIWSZLW-UHFFFAOYSA-N
-rxn:4:183363:223787,CC1Cc2c(cc3c(c2-c2ccc(OCCCN4CCN(C)CC4)c(F)c2)CCC3)C1=O,AUGQIJKUFKELBJ-UHFFFAOYSA-N
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-rxn:4:183730:225377,O=C(COc1cc(OC(F)(F)F)ccc1-c1ccc(OC(F)F)c(C(F)(F)F)c1)N1CCOCC1,ONOJEVSJZHTDHW-UHFFFAOYSA-N
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-rxn:4:184929:226231,CCCCOc1ncc(-c2ccc(OCC(F)(F)F)c(C(=O)N3CCOCC3)c2)cc1C,BZMIHCKCOHSIQL-UHFFFAOYSA-N
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-rxn:4:185030:224589,CC1CCN(Cc2cc(F)ccc2-c2ccc(OCCCN3CCC(F)(F)CC3)cc2)CC1,NUVMKNVUQDFEJY-UHFFFAOYSA-N
-rxn:4:185040:224502,COC1CCN(C(=O)COc2cccc(-c3cccc(OCC4CCCCN4C)c3)c2)CC1,KQNPCVBDEKLBTF-UHFFFAOYSA-N
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-rxn:4:185147:222986,Cc1cc(-c2ccccc2S(=O)(=O)N2CC(S(=O)(=O)CC(C)C)C2)cc(C2CCCNC2)n1,XSBZMYUFKJCAIZ-UHFFFAOYSA-N
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-rxn:4:185308:222922,CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(OC2CCN(C(=O)OC(C)(C)C)CC2)cc1,JOODWBZVGFCVDT-UHFFFAOYSA-N
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-rxn:4:185317:224584,CC1CCN(C(=O)c2cccc(-c3cc(C4CN(C(=O)OC(C)(C)C)C4)ccc3C3CC3)c2)CC1,RVYQQVKMUVOYPV-UHFFFAOYSA-N
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-rxn:4:185346:225877,CC(C)(C#Cc1ncccc1-c1ccc(Cl)cc1N1CCOCC1)O[Si](C)(C)C(C)(C)C,SRCCXPXSHBRDJR-UHFFFAOYSA-N
-rxn:4:185383:225197,CC(C)(C)OC(=O)N1CCC(c2cc(-c3cc(F)c(OC4CCCC4)c(Cl)c3)cc(C(F)(F)F)c2)CC1,MJJQEXVLLIROJY-UHFFFAOYSA-N
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-rxn:4:185390:225228,Cc1ccccc1C(=O)N(Cc1cccc(-c2ccc(N3CCN(C)CC3)cc2F)c1)C1CCS(=O)(=O)C1,HXIWFRAOGURKRE-UHFFFAOYSA-N
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-rxn:4:185480:222684,O=C1c2ccccc2C(=O)N1CCCOc1ccc(F)cc1-c1ccc(OCCN2CCNCC2)c(Cl)c1,BJYXTKLRNQBIRO-UHFFFAOYSA-N
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-rxn:4:185567:227781,CS(=O)(=O)C1CC2CCC(C1)N2C(=O)CCc1ccccc1-c1cnc(Cl)cc1C(F)(F)F,SJCOMKFUKKMNDW-UHFFFAOYSA-N
-rxn:4:185591:225719,COCCOc1ccc(-c2ccc3c(c2)C=C(C(=O)OC)CCCN3Cc2ccc(OC)cc2)cc1OC,FXTBHNQUDKRNOS-UHFFFAOYSA-N
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-rxn:4:185644:222503,COC(=O)c1ccc(C2c3c(oc4ccc(-c5cc(F)cc(C(=O)NCc6ccc(F)cc6)c5)cc4c3=O)C(=O)N2CC2CCCO2)cc1,PIWBBMBTPPYHKX-UHFFFAOYSA-N
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-rxn:4:186888:224676,CCN(C(=O)c1ccc(-c2ccccc2C(=O)N2CCN(C)CC2)o1)C1CCS(=O)(=O)C1,KSGQDJSQYTXSIY-UHFFFAOYSA-N
-rxn:4:186892:223606,O=C(CS(=O)(=O)c1ccccc1-c1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)c(F)c1)N1CCCC1,QORHSMABVFUNSE-UHFFFAOYSA-N
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-rxn:4:187214:224778,CC(C)(C)OC(=O)N1CC(c2cc(F)cc(-c3c(F)cc(OC4CCOCC4)cc3F)c2)C1,NWQXZKRFOGRGBC-UHFFFAOYSA-N
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-rxn:4:187485:224249,CCOc1cc(S(=O)(=O)N2CCCC(C)C2)ccc1-c1cc(C(=O)N2CCCC(C)C2)ccc1F,PCIOVGCBACGYMA-UHFFFAOYSA-N
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-rxn:4:187548:222729,CCCc1cc(-c2cc(C)cc(C(=O)N(CC)C3CCCCC3)c2)cc(C2CCCNC2)n1,XRMUOMHPEIKYIH-UHFFFAOYSA-N
-rxn:4:187549:224401,CCN(C(=O)c1ccc(C)c(-c2ccc(C3COCCO3)c(C(F)(F)F)c2)c1)C1CCCCC1,WPBKFCLKAMCPQQ-UHFFFAOYSA-N
-rxn:4:187561:227121,CC(C)(C)c1ccc(-c2ccc(Cl)c(C(=O)N3CCC(S(=O)(=O)C(C)(C)C)C3)c2)c(Cl)c1,UFFLOEFPTPLRPG-UHFFFAOYSA-N
-rxn:4:187578:223098,CC(=O)NS(=O)(=O)c1ccc(-c2ccc(C3CCN(C(=O)OC(C)(C)C)C3)c(C)c2)cc1,FRGOAXYOGRLRAK-UHFFFAOYSA-N
-rxn:4:187627:226589,CCC1CCCCN1S(=O)(=O)c1cc(-c2cc(C(F)F)ncc2C(C)C)c(C)cc1OC,FUBGXNRRVVEEHB-UHFFFAOYSA-N
-rxn:4:187657:226139,CCN(C1CCCCC1)S(=O)(=O)c1cc(C)c(C)cc1-c1cc(C2CC2)cnc1C1CC1,LLLNBWCJQSBGMQ-UHFFFAOYSA-N
-rxn:4:187658:226847,CCN(C1CCCCC1)S(=O)(=O)c1cc(-c2cc(C(F)(F)F)cnc2SC)c(C)cc1C,GEISKIZGWBMFBR-UHFFFAOYSA-N
-rxn:4:187691:224606,CCCOc1cc(-c2ccc(C(=O)c3cccc(CN4CCC5(CC4)OCCO5)c3)c(F)c2)cc(Cl)c1OC(C)C,YZELGNHUYYEJHI-UHFFFAOYSA-N
-rxn:4:187916:223814,COc1cc(OC)c(C23CCN(C)CC2O3)c(OC)c1-c1ccc(CN2CCC3(CC2)OCCO3)cc1F,JORHJCYQUUAAPX-UHFFFAOYSA-N
-rxn:4:187944:222802,Cc1ccc(-c2ccc3c(c2)OCCCC3OCCN2CCOCC2)c(S(=O)(=O)NC(C)(C)C)c1,PKXYPOOQGLZUTM-UHFFFAOYSA-N
-rxn:4:187961:223883,COC(=O)Cc1cc2c(n1-c1ccc(-c3ccc4c(c3)CCCN4C(=O)OC(C)(C)C)cc1)CC(C)(C)CC2=O,TXYQETZUUGNIRO-UHFFFAOYSA-N
-rxn:4:187969:224835,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3cc(C(F)(F)F)nn3S(=O)(=O)N(C)C)cccc21,FOCCAIDRMMLGCG-UHFFFAOYSA-N
-rxn:4:187981:224394,Cc1ccc(SC2=CC(=NS(=O)(=O)c3ccc(-c4ccc(C)c(S(=O)(=O)N5CCOCC5)c4)cc3)c3ccccc3C2=O)cc1,JPJAIVBKRGVCNA-UHFFFAOYSA-N
-rxn:4:187985:223265,CC(=O)Nc1ccc(Cl)cc1-c1ccc(C23CCOCC2N(C(=O)OC(C)(C)C)CC3)cc1,JANSLCYWHQKNPZ-UHFFFAOYSA-N
-rxn:4:188501:223481,CCCOc1ccc(-c2ccc(S(=O)(=O)N3CCC(O[Si](C)(C)C(C)(C)C)CC3)cc2F)nc1,HSQFHQCBHHBMPQ-UHFFFAOYSA-N
-rxn:4:189639:223689,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(CC(C)C)c(S(N)(=O)=O)c3)ccc2OC)CC1,DGOJWGHGEILCHK-UHFFFAOYSA-N
-rxn:4:189725:224361,CCN(CC)S(=O)(=O)c1cc(-c2cc(CC(=O)N3CCC(F)(F)C3)ccc2Cl)ccc1OC,LXOQBBYLNMMKSZ-UHFFFAOYSA-N
-rxn:4:189985:223939,CC(=NS(=O)C(C)(C)C)c1cccc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CCO3)c1,WVKLOIRLGWVMTD-UHFFFAOYSA-N
-rxn:4:189998:222539,Cc1ccc(-c2ccc3c(c2)CC(NC(=O)OC(C)(C)C)C3)c(/C=N/S(=O)C(C)(C)C)c1,LKKTYXPMGVFVMR-JVWAILMASA-N
-rxn:4:190016:224756,COc1ccc(-c2cc(F)ccc2C(=O)N2CCOCC2)cc1S(=O)(=O)N1CCOCC1,HGKUMUQMLXNKFE-UHFFFAOYSA-N
-rxn:4:190053:225380,O=C(c1c(-c2ccc(C(F)(F)F)cc2C(F)(F)F)cccc1C(F)(F)F)N1CCCCC1,XXFYKILWCHQWOQ-UHFFFAOYSA-N
-rxn:4:190119:223649,COC(=O)c1cc(-c2cccc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)cc(N2CCCCC2)c1,HHWVRBJZCORHTR-UHFFFAOYSA-N
-rxn:4:190134:224329,COc1cc(-c2ccc(C(=O)N3CCC(=O)CC3)c(F)c2)cc(C(=O)N2CCCCC2)c1F,ZKGZVDYGMREMON-UHFFFAOYSA-N
-rxn:4:190161:224458,COc1c(Cl)cc(C(=O)N2CCCC(F)(F)C2)cc1-c1ccc(C(C)N2CCC(C)CC2)cc1,XATRRVGWIVORQD-UHFFFAOYSA-N
-rxn:4:190295:223969,COc1ccccc1C=C1SC(=S)N(c2ccccc2-c2cc(C(F)(F)F)ccc2N2CCC(C)CC2)C1=O,SDAYEUJOPADPHK-UHFFFAOYSA-N
-rxn:4:190320:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3ccc(OC)cc3C(=O)N3CCCCC3C)cc2)CC1,UKBRTRJNZAYHBA-UHFFFAOYSA-N
-rxn:4:190340:223739,CC(c1cccc(-c2ccc(O[Si](C)(C)C(C)(C)C)c3ccccc23)c1)N1CCC(C(F)(F)F)CC1,KEDWVFNXMAOEJS-UHFFFAOYSA-N
-rxn:4:190369:224351,Cc1ccc(CN(C)C2CCOCC2)c(-c2ccc(C3CCCCO3)c(C(F)(F)F)c2)c1,OSWHKOYYRZSHSE-UHFFFAOYSA-N
-rxn:4:190379:224336,COc1cc(S(=O)(=O)N2CCCC(C)C2)ccc1-c1ccc(N2CCCCC2)cc1C(F)(F)F,KRYZAXWYBBPADH-UHFFFAOYSA-N
-rxn:4:190385:223983,CCC(=O)C1CCCN(c2ccc(-c3ccccc3S(=O)(=O)N3CCN(CC)CC3)c(C)c2)C1=O,IEJRAMQOMBORJK-UHFFFAOYSA-N
-rxn:4:190395:223098,CC(=O)NS(=O)(=O)c1ccc(-c2cccc(F)c2N2CCCC(C(=O)C(C)C)C2=O)cc1,MSLQLOKUQUSTBR-UHFFFAOYSA-N
-rxn:4:190442:223503,COc1cc(C)c(-c2c(F)cc(OC3CCN(C(=O)OC(C)(C)C)CC3)cc2F)cc1S(=O)(=O)N1CCCC(C)C1,RTWYEDJMLBCKJT-UHFFFAOYSA-N
-rxn:4:190475:223867,CC1CCN(CCCOc2cccc(-c3ccc(C4CCCN4C(=O)C4CCCCC4)cc3)c2)CC1,YOONIJRWRBWZBO-UHFFFAOYSA-N
-rxn:4:190484:223750,CC(C)(C)[Si](C)(C)Oc1c(-c2cccc(C(=O)N3CCC(c4ccccc4Cl)S(=O)(=O)CC3)c2)ccc2cccnc12,SREKTUAATDVUMO-UHFFFAOYSA-N
-rxn:4:190773:223844,COCCN1CCc2cc(-c3ccc(S(=O)(=O)N4CCCC4)cc3C(F)(F)F)ccc2C1,LXVMQXNVUZCPLT-UHFFFAOYSA-N
-rxn:4:190826:222589,CC(C)(C)OC(=O)N1Cc2ccc(-c3ccc(OCCN4CCC(O)CC4)c(Cl)c3)cc2C1=O,GEDXCSFOWGTYOO-UHFFFAOYSA-N
-rxn:4:190828:224609,CC(C)N(C(=O)c1ccncc1-c1ccc2c(c1)N(C(=O)OC(C)(C)C)C(=O)C2)C(C)C,UVCAIPNNPPKVFA-UHFFFAOYSA-N
-rxn:4:190851:224721,Cc1nn(CC(=O)OC(C)(C)C)c(C)c1-c1ccc2c(c1)N(C(=O)OC(C)(C)C)CC2,JCGHABMUZIFQSM-UHFFFAOYSA-N
-rxn:4:190865:222936,CCC(=O)NS(=O)(=O)c1ccc(-c2ccc3c(c2)C(=O)C(=O)N3CC(=O)C(C)(C)C)cc1,UTAMBSATHWITFZ-UHFFFAOYSA-N
-rxn:4:190905:222940,CC(C)(C)NS(=O)(=O)c1cncc(-c2ccc3c(c2F)N(C(=O)OC(C)(C)C)CCO3)c1,JEAIJOLPCABFCH-UHFFFAOYSA-N
-rxn:4:190928:222935,COC(=O)c1cc2c(c(-c3ccc(CNS(=O)(=O)N(C)C)cc3)c1)N(C(C)C)CCC2=O,CGFXGDIAOUZUKD-UHFFFAOYSA-N
-rxn:4:190933:224757,CC1c2cc(-c3cc(Cl)cc(C(=O)N4CCOCC4)c3)ccc2C(=O)N1C(=O)OC(C)(C)C,RCSNHMKMBXMYJU-UHFFFAOYSA-N
-rxn:4:190958:222722,CC(C)(C)OC(=O)N1CCCc2cccc(-c3cccc(S(=O)(=O)N4CCC(O)CC4)c3)c21,DNKGZCGLJPPZQS-UHFFFAOYSA-N
-rxn:4:190962:224252,CC1CCCN(C(=O)c2ccc(-c3ccc(CC(=O)N4C5CCC4CC(F)C5)cc3)cc2F)C1,GSIRJZGZUALZRB-UHFFFAOYSA-N
-rxn:4:190972:225456,CN1CCC(c2ccc(-c3ccc(C(=O)N4C5CCC4CC(S(C)(=O)=O)C5)o3)cc2)CC1,PFDPIHGRFNSFIF-UHFFFAOYSA-N
-rxn:4:191006:224391,COC1CC2CCC(C1)N2S(=O)(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2C)cc1,NINJSXHJQFKOAC-UHFFFAOYSA-N
-rxn:4:191018:224377,CN1CCN(S(=O)(=O)c2ccc(-c3ccc(C(=O)N4CCC(c5ccc6c(c5)CCO6)C4)o3)cc2)CC1,VOXKGPDLMRUUPV-UHFFFAOYSA-N
-rxn:4:191033:224614,CN(C(=O)OC(C)(C)C)c1ccc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)CCC3)cc1,KBAHAZDZKNVKJG-UHFFFAOYSA-N
-rxn:4:191039:224719,CC(C)c1nn(C(=O)OC(C)(C)C)cc1-c1ccc2c(c1)C(C)(C)CN2C(=O)OC(C)(C)C,CIDVLGRFNYXLFA-UHFFFAOYSA-N
-rxn:4:191039:225109,CC(C)(C)OC(=O)Oc1cccc(-c2ccc3c(c2)C(C)(C)CN3C(=O)OC(C)(C)C)c1,XXFRCWUHVYNPFJ-UHFFFAOYSA-N
-rxn:4:191055:223080,CC(C)NS(=O)(=O)c1ccc(-c2ccc3c(c2)C2(CC2)CN(C(=O)OC(C)(C)C)C3)cc1,OXNHHKPPUFSNCF-UHFFFAOYSA-N
-rxn:4:191056:226010,COc1ccc(OC(F)(F)F)cc1-c1ccc2c(c1)C(C)N(C(=O)OC(C)(C)C)CCO2,HJAPYAGVCGYQFF-UHFFFAOYSA-N
-rxn:4:191062:224498,CCN1CCN(Cc2ccccc2-c2ccccc2S(=O)(=O)N2C3CCC2CC(S(C)(=O)=O)C3)CC1,JCTUMTRTFFTTDX-UHFFFAOYSA-N
-rxn:4:191088:222758,Cc1cc(-c2ccc3c(c2)C(C)(C)CCN3C(=O)OC(C)(C)C)ccc1NC(=O)OC(C)(C)C,KINHRKWYYOIWRZ-UHFFFAOYSA-N
-rxn:4:191089:222918,CC(C)(C)NS(=O)(=O)c1cccc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3(C)C)c1,TZBYPEGRMQWNDL-UHFFFAOYSA-N
-rxn:4:191090:222907,CC(C)(C)OC(=O)Nc1cnccc1-c1cccc2c1C(C)(C)CN(C(=O)OC(C)(C)C)C2,ORXJKKVDOLIXAU-UHFFFAOYSA-N
-rxn:4:191094:223080,CC(C)NS(=O)(=O)c1ccc(-c2ccc3c(c2)C2(CCCC2)C(=O)N3C(=O)OC(C)(C)C)cc1,BHLQBIGMRHPSCU-UHFFFAOYSA-N
-rxn:4:191099:224279,CC(C)(C)OC(=O)N1CCC2(CC1)Oc1ccc(-c3ccc4c(c3)ncn4C(=O)OC(C)(C)C)cc1C2=O,PSUQCJOVNZSUIX-UHFFFAOYSA-N
-rxn:4:191106:223966,CC(C)(C)OC(=O)N1CC2(CCOCC2)c2cc(-c3ccc(-c4ccc(OC(F)(F)F)cc4)cc3)ccc21,IYZTZTXABDESDJ-UHFFFAOYSA-N
-rxn:4:191119:224361,CCN(CC)S(=O)(=O)c1cc(-c2ccc3c(c2)C(=O)C2(CCN(C(=O)OC(C)(C)C)CC2)C3)ccc1OC,UJPMMJAGQZSKFA-UHFFFAOYSA-N
-rxn:4:191121:225359,COc1cc(-c2ccc3c(c2F)C(=O)C2(CCN(C(=O)OC(C)(C)C)CC2)C3)c(C(F)(F)F)cc1OC,IVKLEJBWQBAHMC-UHFFFAOYSA-N
-rxn:4:191124:222918,CC(C)(C)NS(=O)(=O)c1cccc(-c2ccc3c(c2)C2(CC3)CCN(C(=O)OC(C)(C)C)CC2)c1,CVAWBKFISSZEQF-UHFFFAOYSA-N
-rxn:4:191124:225560,CC(C)(C)OC(=O)N1CCC2(CCc3ccc(-c4cccc(COC5CCOC5)c4)cc32)CC1,NXGGSIDJHHDDOH-UHFFFAOYSA-N
-rxn:4:191172:222828,CC1=CC(C)(C)N2C(=O)C(=O)c3cc(OC(=O)c4ccc(-c5cc(F)c(F)cc5S(=O)(=O)NC5CC5)cc4)cc1c32,AKGNYGWRHSJDGD-UHFFFAOYSA-N
-rxn:4:191173:225825,CC1=CC(C)(C)N2C(=O)C(=O)c3cc(OC(=O)c4cccc(-c5ccc(N6CCN(C)CC6)nc5)c4)cc1c32,DHDBHGTVYOZNPL-UHFFFAOYSA-N
-rxn:4:191195:224070,CC1C(=O)C(C)(C)N(C(=O)OC(C)(C)C)c2c1cc(-c1cncc(-c3ccc(C(C)(C)C)cc3)c1)c1c2CCC1,LSRYDJCSUBENJF-UHFFFAOYSA-N
-rxn:4:191195:227863,CC1C(=O)C(C)(C)N(C(=O)OC(C)(C)C)c2c1cc(-c1ccc3c(c1)CCCO3)c1c2CCC1,ICMMHJJRFCATJT-UHFFFAOYSA-N
-rxn:4:192772:222542,CSC1=NC(=Cc2ccc(-c3ccc(C)c(OCCCN4CCNCC4)c3)cc2)C(=O)S1,XKCSGGJKBCNAJU-UHFFFAOYSA-N
-rxn:4:193131:224687,O=C1C=CC(=NS(=O)(=O)c2ccc(-c3cc(F)cc(CN4CCC(=O)CC4)c3)cc2)C=C1,DORUXUAUPLLQNX-UHFFFAOYSA-N
-rxn:4:193260:223788,CC(C)(C)OC(=O)N1CC(Oc2ccc(-c3cccc(F)c3C(=O)N3CCSCC3)cc2)C1,BHLLODPXHDMUQL-UHFFFAOYSA-N
-rxn:4:193278:224127,CCN1CCN(C(C)c2ccc(-c3ccc(C=C4SC(=S)N(CC)C4=O)cc3)cc2)CC1,PMVQDHBGYMULRR-UHFFFAOYSA-N
-rxn:4:193518:222742,CC1=CC(=O)C=CC1=NS(=O)(=O)c1ccc(-c2cc(C3CCNCC3)nc(C3CC3)c2)cc1,MXDIZKDOKZGFTQ-UHFFFAOYSA-N
-rxn:4:193518:224991,CC1=CC(=O)C=CC1=NS(=O)(=O)c1ccc(-c2cc(C3CC3)nc(N3CCCC3)c2)cc1,YHLMGUKKNFHUNK-UHFFFAOYSA-N
-rxn:4:193518:225215,CC1=CC(=O)C=CC1=NS(=O)(=O)c1ccc(-c2ccnc(N3CCC(C)CC3)c2Cl)cc1,YKSTYNLBPCMGJD-UHFFFAOYSA-N
-rxn:4:193518:225226,CC1=CC(=O)C=CC1=NS(=O)(=O)c1ccc(-c2cc(N3CCC(C)CC3)ncc2F)cc1,CWNMAWLRFOYFSE-UHFFFAOYSA-N
-rxn:4:193518:225227,CC1=CC(=O)C=CC1=NS(=O)(=O)c1ccc(-c2cnc(N3CCC(C)CC3)c(Cl)c2)cc1,LKFHXZSLYWJGCO-UHFFFAOYSA-N
-rxn:4:193570:223696,O=S(=O)(c1cccc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc2)c1)N1CCCCC1,VMKXKIRTXLHDLH-UHFFFAOYSA-N
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-rxn:4:201953:224659,COC(=O)c1cc(-c2cccc(C(=O)N3CCN(C)CC3)c2)ccc1CN1CCN(C)CC1,MDTOKRUYOKEZCR-UHFFFAOYSA-N
-rxn:4:201992:224731,CC(C)(C)COS(=O)(=O)c1cccc(-c2ccc(C3CN(C(=O)OC(C)(C)C)CCO3)cn2)c1,MUOUMABBLLKBKO-UHFFFAOYSA-N
-rxn:4:202001:225640,CC1CCCCN1c1cc(-c2cc(C3COCCN3C(=O)OC(C)(C)C)ccn2)ccn1,RUVHBZYMEDHPKL-UHFFFAOYSA-N
-rxn:4:202006:222621,CCOc1cc(-c2cc(CC(C)C)nc(C3CCCNC3)c2)ccc1S(=O)(=O)N1CCN(C)CC1,RPVRGTJIGPXDCK-UHFFFAOYSA-N
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-rxn:4:202011:224073,CC[Si](CC)(CC)c1cc2cccc(-c3ccc(C4CN(C(=O)OC(C)(C)C)CCO4)nc3)c2s1,VDMJGKKTWSIJJV-UHFFFAOYSA-N
-rxn:4:202062:222754,CCOC(=O)C1CCC(n2nc(C)c(-c3cc(OC)ccc3C(=O)NC(C)(C)C)c2C)CC1,IIPZMIOXMAQKRB-UHFFFAOYSA-N
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-rxn:4:202135:223078,CCNS(=O)(=O)c1ccc(-c2cc(C(=O)N3CCN(C(C)C)CC3)cc(Cl)c2OC)c(C)c1,YBIWMUPLYIVUSR-UHFFFAOYSA-N
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-rxn:4:202238:224634,COc1ccc(-c2ccc(-n3c(C)cc(C(=O)CN4CCOCC4)c3C)cc2)cc1CN1CCOCC1,MFCQYRJPRSYWPD-UHFFFAOYSA-N
-rxn:4:202268:225366,CC(F)(F)c1ccc(-c2ccccc2CN2CCOC(C(=O)N3CCCCC3)C2)c(C(F)(F)F)c1,QMWLPMMIPROINN-UHFFFAOYSA-N
-rxn:4:202271:225124,O=C(C1CCCN(Cc2ccccc2-c2ccnc(OCC3CCOCC3)c2)C1)N1CCOCC1,DTNBLCKQRZBPHO-UHFFFAOYSA-N
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-rxn:4:202310:224015,Cc1cc(F)c(-c2ccc(S(=O)(=O)N3CCCSCC3CN3CCOCC3)cc2)cc1S(=O)(=O)N1CCOCC1,MQBOMIFNTZADRT-UHFFFAOYSA-N
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-rxn:4:202352:223868,COCc1cc(OCc2ccccc2)ccc1-c1ccccc1C(=O)N1CCC2(CC1)OCCN2S(=O)(=O)c1ccc(F)c(C)c1,MQTKFOPNBVRDSS-UHFFFAOYSA-N
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-rxn:4:202436:223500,C#CCn1c(=NC(=O)c2ccco2)sc2cc(-c3ccc(F)c(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c3)ccc21,NZNKFIPYJQZWLT-UHFFFAOYSA-N
-rxn:4:202520:225233,CC1CCCN(c2cc(-c3ccc([N+](=O)[O-])c4c3CN(C(=O)OC(C)(C)C)CC4)cnc2Cl)C1,LFNXTUABMAWGPX-UHFFFAOYSA-N
-rxn:4:202526:222610,COCC(=O)N=C1SC2CS(=O)(=O)CC2N1c1ccc(-c2cc(NC(=O)OC(C)(C)C)cc([N+](=O)[O-])c2)cc1,FOGCCILFWTYZKS-UHFFFAOYSA-N
-rxn:4:202592:222922,CC(C)(C)NS(=O)(=O)c1ccccc1-c1c(CO[Si](C)(C)C(C)(C)C)nn2c1CCC2,JZYIENOOEILTJH-UHFFFAOYSA-N
-rxn:4:202604:224146,CCOC(=O)C1=C(C)N=C2SCCC(=O)N2C1c1ccc(-c2c(C)cc(O[Si](C)(C)C(C)(C)C)cc2C)cc1,PAMKJXPSARFXMC-UHFFFAOYSA-N
-rxn:4:202677:223582,COC(=O)c1ccc2cc(-c3ccnc4c3ccn4[Si](C(C)C)(C(C)C)C(C)C)n(C(=O)OC(C)(C)C)c2c1,YUSFAAVUUMMARA-UHFFFAOYSA-N
-rxn:4:202679:223818,CC(C)[Si](C(C)C)(C(C)C)n1ccc2cc(-c3c(F)cc(F)c4c3ccn4C(=O)OC(C)(C)C)nc(Cl)c21,GXFGZFCQPCNZHG-UHFFFAOYSA-N
-rxn:4:202711:223939,C[C@H]1CC[C@H](c2ccc3sc(-c4ccc5c(c4)N(C(=O)OC(C)(C)C)CCO5)nc3c2)N(C(=O)OC(C)(C)C)C1,ZVFGBCOOPVVHTF-WMZHIEFXSA-N
-rxn:4:203206:223489,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3cnc(OCc4ccccc4F)nc3)cc2)CC1,KODIAAGJOAJXEC-UHFFFAOYSA-N
-rxn:4:203223:224189,COc1cc(-c2cncc(C(=O)ON3C(=O)CCC3=O)c2)ccc1O[Si](C)(C)C(C)(C)C,QMAHRCPDOSQFRJ-UHFFFAOYSA-N
-rxn:4:203544:223474,O=C(c1ccc([N+](=O)[O-])cc1-c1ccc(OCc2ccccc2)c(C23CC4CC(CC(C4)C2)C3)c1)N1CCC(F)(F)C1,GZZAQNYLIDWEPM-UHFFFAOYSA-N
-rxn:4:203579:223918,COC(=O)C1CCCN1c1ccc(-c2cc(C(=O)N(C)C3CCCCC3)ccc2F)cn1,TVLRCQYIZBIASI-UHFFFAOYSA-N
-rxn:4:203592:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2cc(C(=O)N3CCOCC3)cc([N+](=O)[O-])c2)cc1,UXMILMQPPRTEPC-UHFFFAOYSA-N
-rxn:4:203617:224336,N#Cc1cc(-c2ccc(N3CCCCC3)cc2C(F)(F)F)c(N2CCOCC2)cc1C(F)(F)F,XKUNCQSYZYVLLO-UHFFFAOYSA-N
-rxn:4:203638:222604,COc1ccc(-c2ccc(S(=O)(=O)NN3CCOCC3)cc2)cc1S(=O)(=O)NC1CCCC1,MAMQMGAWSYCRAO-UHFFFAOYSA-N
-rxn:4:203696:222810,CC(C)(C)OC(=O)Nc1cc(-c2ccccc2C(=O)N2CC(N3C(=O)CSC3=O)C2)c(Cl)cn1,WNEGTVJTVJPKCJ-UHFFFAOYSA-N
-rxn:4:203768:223583,COC(=O)c1ccc2c(-c3cnc(N(C)C(=O)C(C)(C)C)c(C)c3)cn(C(=O)OC(C)(C)C)c2c1,CUSHUHHVJHFJMF-UHFFFAOYSA-N
-rxn:4:203792:222465,O=C(N=C1SCC(=O)N1c1ccccc1Cl)c1ccc(-c2cc(C3CCCCC3)nc(C3CCCNC3)c2)cc1,FHDOLVVMMUFBIO-UHFFFAOYSA-N
-rxn:4:203811:224405,CC1CCN(C(=O)Cc2cncc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCCC3)c2)CC1,XCNKIGNZRMGXKH-UHFFFAOYSA-N
-rxn:4:203855:222588,CN(C)Cc1ccc(-c2ccc(OCCN3CCC(O)CC3)c(F)c2)cc1N1CCCC1,JMUHXCGPWUSROH-UHFFFAOYSA-N
-rxn:4:203878:222818,COC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2CN2CCC(C)CC2)c(F)cc1NC(C)=O,WIYNIQDORPPURP-UHFFFAOYSA-N
-rxn:4:203881:223832,COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1-c1cccc(CC2CCN(S(C)(=O)=O)CC2)n1,QTPNFZPGEQANKF-UHFFFAOYSA-N
-rxn:4:203937:224415,O=S(=O)(c1ccccc1-c1ccnc(C(F)(F)C(F)(F)C(F)(F)F)c1)N1CC(N2CCCC2)C1,PSIGECAKFNKNNM-UHFFFAOYSA-N
-rxn:4:203961:224120,CCc1cc(-c2ccc(CO[Si](C)(C)C(C)(C)C)c(C)c2)ccc1C(=O)N1CCN(C)CC1,VBLOZSRMDLSQJX-UHFFFAOYSA-N
-rxn:4:203976:223178,CONC(=O)c1ccc(F)c(-c2cc(Cl)c(S(=O)(=O)N3CCN(C(C)=O)CC3)cc2C)c1,GLOMBUQAFGGHTJ-UHFFFAOYSA-N
-rxn:4:204010:222716,CS(=O)(=O)N1CCCC(Cc2cccc(-c3ccc(S(=O)(=O)NC4CCCC4)c(F)c3)n2)CC1,AUSGGASZRQTULL-UHFFFAOYSA-N
-rxn:4:204012:223929,CN(C)C1CCN(S(=O)(=O)c2cccc(-c3cnc4c(c3)CCN(C(=O)OC(C)(C)C)C4)c2)CC1,OEPOIYLVHMEZGG-UHFFFAOYSA-N
-rxn:4:204019:225100,CCN(CC)C(=O)c1cc(F)cc(-c2ccccc2CN2CCN(S(C)(=O)=O)C(C)C2)c1,SFUXVAFUBIGNPV-UHFFFAOYSA-N
-rxn:4:204026:223644,CCOC(=O)C1CCCN(C(=O)c2ccc(-c3cc(S(C)(=O)=O)ccc3CN3CCN(C)CC3)cc2)C1,IDMFDFNMGAOCPZ-UHFFFAOYSA-N
-rxn:4:204028:223979,C[C@H]1CN(S(C)(=O)=O)CCN1Cc1cccc(-c2cc(C(=O)N3CCCCC3)cc([N+](=O)[O-])c2)c1,IAXKLVDWBYHZSZ-IBGZPJMESA-N
-rxn:4:204030:224489,CC(C)N(Cc1ccc(F)cc1-c1cccc(N2CCN(S(=O)(=O)C(C)C)CC2)c1)C(C)C,ISXBKBODTMDRHR-UHFFFAOYSA-N
-rxn:4:204055:225325,CCOC(=O)c1cc(-c2ccc(C(=O)N3CCCN(C4CCSC4)CC3)o2)cc([N+](=O)[O-])c1,WXFDRZUKYNHLJB-UHFFFAOYSA-N
-rxn:4:204109:223540,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1ccccc1S(=O)(=O)N1CCC(N2C(=O)COCC2=O)CC1,FSRZKSFGGNJKON-UHFFFAOYSA-N
-rxn:4:204134:223093,CC(C)S(=O)(=O)Nc1cncc(-c2ccccc2S(=O)(=O)N2CCCN(C3CCOC3)CC2)c1,MCEYVLQVRSGDGP-UHFFFAOYSA-N
-rxn:4:204147:225656,CC1CCCCN1Cc1ccc(-c2cncc(N3CCCCC3C)c2)cc1N1CCCC1,PFERYSZUFIXEFZ-UHFFFAOYSA-N
-rxn:4:204148:225656,CC1CCCN(Cc2ccc(-c3cncc(N4CCCCC4C)c3)cc2N2CCCC2)C1,ZPHYCYFXMAHREB-UHFFFAOYSA-N
-rxn:4:204169:223153,CCNC(=O)c1cc(-c2ccc(CN3CCOC(C)C3)c(N3CCCCC3)c2)ccc1Cl,DLXZQNDKVKERBF-UHFFFAOYSA-N
-rxn:4:204169:226652,Cc1cc(-c2ccc(CN3CCOC(C)C3)c(N3CCCCC3)c2)n(C2CCCCO2)n1,MHOPBOYMRLTIRI-UHFFFAOYSA-N
-rxn:4:204572:224082,CCC(C(=O)OC(C)(C)C)c1cccc(-c2ccc3n2CCN(C(=O)OC(C)(C)C)C3)c1,MKKNLHCPYFXALQ-UHFFFAOYSA-N
-rxn:4:204595:224689,CC(C)(C)OC(=O)N1CCc2nc(-c3ccc(C(=O)N4CCCCC4)cc3Cl)sc2CC1,TUDKJJUBMDZGFU-UHFFFAOYSA-N
-rxn:4:204648:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1ccc(C(=O)N2CC(N3CCc4sccc4C3)C2)o1,YLXPSXDMLRPDIP-UHFFFAOYSA-N
-rxn:4:204680:222919,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc3c(n2)CCN(C(=O)OC(C)(C)C)CC3)cc1,TWHPMGJTQJCPQK-UHFFFAOYSA-N
-rxn:4:204739:224003,CCC(C)N1C(=O)C(=C2C(=O)N(CC)c3ccc(-c4cnc(Cl)c(-c5cccc(C(F)(F)F)c5)c4)cc32)SC1=S,SEPRZQWEKAXDJB-UHFFFAOYSA-N
-rxn:4:204776:223156,CCNC(=O)c1ccc(F)c(-c2ccc(N3C(=O)N(c4cccc(C(F)(F)F)c4)C4CS(=O)(=O)CC43)cc2)c1,WYGIBPCMNJKZBZ-UHFFFAOYSA-N
-rxn:4:204780:222657,O=C(NC1CCCCC1)c1cc(-c2ccc(S(=O)(=O)N3CC(N4CC5CCCC5C4)C3)cc2)ccc1F,KCLIMTQPHIEVNC-UHFFFAOYSA-N
-rxn:4:204786:225231,CC1CCCCN1c1cc(-c2cccc(N3C=C(C(=O)N4CCCC4)S(=O)(=O)c4ccccc43)c2)cnc1Cl,JIUBLNVYCWVOBQ-UHFFFAOYSA-N
-rxn:4:204808:227253,CCCOc1ccc(Cl)cc1-c1ccc(N2C=C(C(=O)N3CCOCC3)S(=O)(=O)c3ccc(Cl)cc32)cc1,ORCYGNRGQOXXET-UHFFFAOYSA-N
-rxn:4:204835:224359,CCN(CC)C(=O)c1cc(-c2ccc(N3C=C(C(=O)N4CCCCC4)S(=O)(=O)c4ccc(Cl)cc43)cc2)cc([N+](=O)[O-])c1,RVTIGQKLEVFRKQ-UHFFFAOYSA-N
-rxn:4:204842:223809,Cc1cc(N2C=C(C(=O)N3CCOCC3)S(=O)(=O)c3ccccc32)ccc1-c1cc(N2CCOCC2)cc(N2CCOCC2)c1,LESVQBJISIXAPN-UHFFFAOYSA-N
-rxn:4:204845:226761,CSc1ccc(-c2ccc(CN3C(=O)N(c4cc(C)cc(C)c4)C4CS(=O)(=O)CC43)c(F)c2)c(C(F)(F)F)c1,LFHHKNDJTTVKMM-UHFFFAOYSA-N
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-rxn:4:204955:227710,COc1ccc(C2=NN3C(C2)c2cc(-c4ccc(OS(C)(=O)=O)cc4)ccc2OC3C2CCCCC2)cc1,AUJSURBVLKIBKI-UHFFFAOYSA-N
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-rxn:4:205366:223533,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cc(S(N)(=O)=O)ccc3[N+](=O)[O-])c(F)c2)CC1,JTZAKIAFTXHXBR-UHFFFAOYSA-N
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-rxn:4:206280:223785,CCN1CCN(CCOc2ccc(-c3cnc(C(=O)N4CCC(F)(F)C4)c(F)c3)cc2Cl)CC1,XUQSXGYXVYBSKF-UHFFFAOYSA-N
-rxn:4:206387:223669,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cncc(C(=O)N4CCOCC4)c3)cn2)CC1,MWYSTAJBVDWJPM-UHFFFAOYSA-N
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-rxn:4:211271:223493,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1nc(C)n(C)c1C,SUAMUQHMJVXQII-UHFFFAOYSA-N
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-rxn:4:212539:224128,CCN(Cc1c(-c2ccc(C(=O)N(C)C3CCCCC3)cc2)cnn1C)C(=O)OC(C)(C)C,FKGCIPXHXOXXIG-UHFFFAOYSA-N
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-rxn:4:212572:223645,CCOC(=O)C1CCCN(C(=O)c2cccc(-c3ccc(-c4ncn(COCC[Si](C)(C)C)n4)cc3)c2)C1,SPZNKAVINYBRAS-UHFFFAOYSA-N
-rxn:4:212581:225947,CN1CCN(c2ncc(-c3ccc(CSC4=NCCN4S(=O)(=O)c4ccc([N+](=O)[O-])cc4)cc3)cn2)CC1,LOTIOMVURRTYCY-UHFFFAOYSA-N
-rxn:4:212583:224949,COc1ccc(-c2ccc(S(=O)(=O)N3CCN=C3SCc3cccc([N+](=O)[O-])c3)cc2)cc1CN1CCCC1,UOEDKSLUHGKMKS-UHFFFAOYSA-N
-rxn:4:212584:223093,CC(C)N(Cc1nn(C)cc1-c1cncc(NS(=O)(=O)C(C)C)c1)C(=O)OC(C)(C)C,OYSPJZMPTYNEKL-UHFFFAOYSA-N
-rxn:4:212585:223098,CC(=O)NS(=O)(=O)c1ccc(-c2cnn(C)c2CN(C(=O)OC(C)(C)C)C(C)C)cc1,JXDYPKXZCSCHPI-UHFFFAOYSA-N
-rxn:4:212593:224486,CC(C)N(C(=O)c1cccc(-c2ccc(C(=O)N(C)C3CN(C(=O)OC(C)(C)C)C3)cn2)c1)C(C)C,CMTYODLAZGNYJH-UHFFFAOYSA-N
-rxn:4:212606:223047,CC(C)CC(=O)N1CCCC(COc2ncc(-c3cc(F)cc(C(=O)NC4CC4)c3)cn2)C1,KZHFSEVQHBEWFB-UHFFFAOYSA-N
-rxn:4:212606:226011,CC(C)CC(=O)N1CCCC(COc2ncc(-c3cc(F)ccc3OCC(F)(F)F)cn2)C1,UFSRNKPFLUQWBM-UHFFFAOYSA-N
-rxn:4:212607:222916,CCC(CC)C(=O)N1CCC(Oc2ncc(-c3cccc(C(=O)NC4=NCCS4)c3)cn2)CC1,NQIILFQYXNYSHR-UHFFFAOYSA-N
-rxn:4:212607:225172,CCC(CC)C(=O)N1CCC(Oc2ncc(-c3cc(CN4CCOCC4)ccc3F)cn2)CC1,LECHGZMRKQSRSP-UHFFFAOYSA-N
-rxn:4:212620:225898,O=C(Cc1ccc(F)cc1-c1cnn(CCN2CCOCC2)c1)N1CCC(COc2ncccn2)CC1,AEQUCHLWHKOAGP-UHFFFAOYSA-N
-rxn:4:212644:222813,CC(C)(C)OC(=O)Nc1ncc(-c2cnc(OCC3CCCN(S(=O)(=O)Cc4ccc(F)cc4)C3)nc2)cc1Cl,KOVUOPWWCJFVOA-UHFFFAOYSA-N
-rxn:4:212648:222674,Cn1cc(-c2cccc(C(=O)NC3CCCCC3)c2F)c(OCC2CCN(C(=O)OC(C)(C)C)CC2)n1,KLZCUNBJEQXBMT-UHFFFAOYSA-N
-rxn:4:212665:226429,COc1ccccc1S(=O)(=O)N1CCCC(COc2ncc(-c3ccc(N4CCCC(C)C4)s3)cn2)C1,WGBNWSAFYKJRKA-UHFFFAOYSA-N
-rxn:4:212692:226113,CC(C)CC(=O)c1ccc(-c2cncc(CC(=O)N3CCN(C(=O)OC(C)(C)C)C(C)C3)c2)cc1,KQCWMNXAPPULSR-UHFFFAOYSA-N
-rxn:4:212711:226276,COc1ccc(-c2ccc(C(=O)N3CCC(COc4ccc(C(C)(C)C)nn4)CC3)o2)cc1CN(C)C,VOZOACQITDWSOK-UHFFFAOYSA-N
-rxn:4:212726:224770,Cc1ccc(-n2c(-c3ccc(-c4cc(C)cc(S(=O)(=O)N5CCCC5)c4)cc3)cnc2SCC(=O)N2CCCCC2)cc1,CBYLWAICDVUBRO-UHFFFAOYSA-N
-rxn:4:212738:223931,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cc4ccc(Cl)cc4n3C(=O)OC(C)(C)C)cc2N2CCOCC2)CC1,LKCVJLZTLZPVMS-UHFFFAOYSA-N
-rxn:4:212750:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3C)c(N3CCCCC3)c2)CC1,FFDRQRXNSCBFPW-UHFFFAOYSA-N
-rxn:4:212786:223866,COCCn1c(=NC(=O)c2cccc(-c3ccccc3CN3C(C)(C)CCCC3(C)C)c2)sc2cc(S(N)(=O)=O)ccc21,XUCGCMCMIQKEHT-UHFFFAOYSA-N
-rxn:4:212814:227846,Cn1cc(-c2c3c(nn2C(=O)OC(C)(C)C)C(C)(C)N(C(=O)OC(C)(C)C)C3)c2ccccc21,YPIWZIDCSXRGJF-UHFFFAOYSA-N
-rxn:4:212816:222890,COc1cc(-c2ccc(S(=O)(=O)N3CCN(C(=O)CCc4c[nH]c5ccccc45)CC3)cc2)cc(C2CCCNC2)n1,VBHSPSQWJXQUSQ-UHFFFAOYSA-N
-rxn:4:212824:225977,COc1cc(C(=O)N2CCN(c3nc4ccc(-c5cc(Cl)cnc5N5CCOCC5)cc4s3)CC2)cc(OC)c1OC,KBAJOXOYPUCTAH-UHFFFAOYSA-N
-rxn:4:212832:224224,CCC1CCCCN1C(=O)CSc1nc2c(c(=O)n1-c1ccc(-c3ccccc3OCc3ccc(F)cc3F)cc1)SCC2,LTUBRGYMFOYQJA-UHFFFAOYSA-N
-rxn:4:212854:223792,COC(=O)Cn1nc(-c2ccc(C(=O)N3CCC(C(=O)OC)CC3)cc2)cc1CC#N,FSMHVKUEMSJWSN-UHFFFAOYSA-N
-rxn:4:212878:224280,COC(=O)c1nnn(-c2ccc(-c3cc4c(s3)CCN(C(=O)OC(C)(C)C)C4)cc2F)c1C(=O)OC,YXTDRLAVQTZAFT-UHFFFAOYSA-N
-rxn:4:212970:225109,Cc1nc(OC2CN(C(=O)OC(C)(C)C)C2)ncc1-c1cccc(OC(=O)OC(C)(C)C)c1,RKSZJIKHQAOMMS-UHFFFAOYSA-N
-rxn:4:212976:224010,COc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1cnccc1OC1CCN(Cc2ccc(C#N)cc2)C1,FFWZZUWMRYRXBZ-UHFFFAOYSA-N
-rxn:4:212980:223812,O=C(c1cncc(-c2cc(F)cc(CN3CCC4(CC3)OCCO4)c2)c1)N1CCC(COc2ccc(F)cn2)C1,WKAIYGFVSHRLHD-UHFFFAOYSA-N
-rxn:4:213006:224327,COc1ccc(-c2cccc(S(=O)(=O)N3CCCC(C)C3)c2)c(C(=O)N2CCC(Oc3ncc(F)cn3)C2)c1,IYCRTSQKWHAGMQ-UHFFFAOYSA-N
-rxn:4:213010:223532,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)cc(-c3cnn(C[C@@H]4CN(C(=O)OC(C)(C)C)CCO4)c3)c2)CC1,GBCOZUQTKLTXNE-VWLOTQADSA-N
-rxn:4:213037:222916,CC(C)CCN1CCC(Oc2ncc(-c3cccc(C(=O)NC4=NCCS4)c3)cn2)CC1,FUNYHQFWYDBQQM-UHFFFAOYSA-N
-rxn:4:213039:225878,CC(C)(C)OC(=O)N1CCC(Oc2cncc(-c3cc(Cl)cc(N4CCOCC4)c3)n2)CC1,RLUVPQVNNIDKHQ-UHFFFAOYSA-N
-rxn:4:213074:223497,CC(c1ccc(-c2nccn2CC2CCN(C(=O)OC(C)(C)C)CC2)cc1)N1CCC(O[Si](C)(C)C(C)(C)C)CC1,JFCAVTMOGZSMEE-UHFFFAOYSA-N
-rxn:4:213081:223167,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccnc(N4CCNCC4)c3)cc2C#N)CC1,CFXVXQULJNQRKJ-UHFFFAOYSA-N
-rxn:4:213095:226551,CCOc1cc(-c2cc(C#N)ccc2N2CCN(C(=O)OC(C)(C)C)CC2)cc(Cl)c1OC,DINPQONGKFHPTG-UHFFFAOYSA-N
-rxn:4:213112:223970,Cc1ccc(OCC2CCN(S(=O)(=O)c3ccccc3-c3ccc(C)c(S(=O)(=O)N4CCC(C)CC4)c3)C2)nn1,LGLFLUWNBDGPGJ-UHFFFAOYSA-N
-rxn:4:213113:225178,O=S(=O)(Cc1ccc(Cl)cc1)N1CCCC(Oc2ncc(-c3ccc(CN4CCOCC4)cc3F)cn2)C1,WEQCOCDOPGXKMP-UHFFFAOYSA-N
-rxn:4:213123:222442,O=C(Cc1ccccc1-c1ccc(S(=O)(=O)NC2CCCC2)c2ccccc12)N1CCN(c2ccnc(C(F)(F)F)c2)C(=O)C1,WGQIVNJACWMBAC-UHFFFAOYSA-N
-rxn:4:213123:222837,CC(C)(C)NC(=O)Cc1cccc(-c2ccccc2CC(=O)N2CCN(c3ccnc(C(F)(F)F)c3)C(=O)C2)c1,XARRLTWFDAUBGR-UHFFFAOYSA-N
-rxn:4:213123:223959,CCN1CCN(C(=O)c2cc(-c3ccccc3CC(=O)N3CCN(c4ccnc(C(F)(F)F)c4)C(=O)C3)ccc2Cl)CC1,MDSBLMFJCCLXQX-UHFFFAOYSA-N
-rxn:4:213126:225272,CCOC(=O)C(F)(F)c1ccc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)cn2)cc1,BKIBPIDNIIVTSY-UHFFFAOYSA-N
-rxn:4:213132:225898,CC(C)(C)C(=O)N1CCCC(COc2ncc(-c3cnn(CCN4CCOCC4)c3)cn2)C1,VNYHHANHQNLIKH-UHFFFAOYSA-N
-rxn:4:213150:223560,COC(=O)c1cc(-c2ccc(-c3ccc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)nc3)cc2)nc2ccccc12,CIWRZFLIKFCVBI-UHFFFAOYSA-N
-rxn:4:213150:223589,Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)nc1,YGOXXZGHSUTJBY-UHFFFAOYSA-N
-rxn:4:213151:224809,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cnn(-c4ccc(C(F)(F)F)cc4)c3)cc(F)c2[N+](=O)[O-])CC1,AUPJVCJCHCTRBW-UHFFFAOYSA-N
-rxn:4:213184:222546,Cc1cnc(OC2CCN(C(=O)Cc3ccc(F)cc3-c3ccc(OCCNC4CCCCC4)c(F)c3)CC2)nc1,KYJDCMGLVPOFAM-UHFFFAOYSA-N
-rxn:4:213192:227465,COCCOc1cncc(-c2cc(C(=O)OC(C)(C)C)cc(N3CCN(C(C)=O)CC3)n2)c1,WKUKFVOKQVBJBX-UHFFFAOYSA-N
-rxn:4:213202:222819,Cc1ccc(OCC2CCN(S(=O)(=O)c3ccccc3-c3ccc(NC(=O)N4CCOCC4)nc3)CC2)nn1,PDICWCPMBAVIGJ-UHFFFAOYSA-N
-rxn:4:213202:225233,Cc1ccc(OCC2CCN(S(=O)(=O)c3ccccc3-c3cnc(Cl)c(N4CCCC(C)C4)c3)CC2)nn1,IHQPDPZWEMQFGS-UHFFFAOYSA-N
-rxn:4:213203:224320,Cc1ccc(OCC2CCN(S(=O)(=O)c3ccc(-c4cc(S(=O)(=O)N5CCCCC5)ccc4C)cc3)CC2)nn1,MYUBJBMXZZUEGS-UHFFFAOYSA-N
-rxn:4:213222:225877,CC(C)(C)c1csc(CN2CCN(C(=O)c3ccc(-c4ccc(Cl)cc4N4CCOCC4)o3)CC2)n1,MSWZOELHJMRWBY-UHFFFAOYSA-N
-rxn:4:213222:225975,CC(C)(C)c1csc(CN2CCN(C(=O)c3ccc(-c4ccnc(N5CCOCC5)c4Cl)o3)CC2)n1,VCGBXDNTPOYTTJ-UHFFFAOYSA-N
-rxn:4:213251:225263,COC(=O)c1cc(C(=O)OC)cc(-c2cc(S(=O)(=O)N3CCCCC3)cnc2N(C)Cc2ccccc2)c1,AFAHCVJZXYBUKW-UHFFFAOYSA-N
-rxn:4:213259:223181,CCNS(=O)(=O)c1cccc(-c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)C(C)(C)C3)cn2)c1,BJLHTIUJCFHUDN-UHFFFAOYSA-N
-rxn:4:213262:225784,CN(C)c1ccc(C(=S)N2CCN(C(=S)c3ccc(-c4ccc(CN5CCOCC5)nc4)cc3)CC2)cc1,JAWOPGILKPQKOK-UHFFFAOYSA-N
-rxn:4:213263:222972,CN(C)c1ccc(C(=S)N2CCN(C(=S)c3cccc(-c4ccccc4NC(=O)C(C)(C)C)c3)CC2)cc1,GYIVKUIVUINBRV-UHFFFAOYSA-N
-rxn:4:213263:225312,CN1CCCN(c2ncc(-c3cccc(C(=S)N4CCN(C(=S)c5ccc(N(C)C)cc5)CC4)c3)cn2)CC1,UOHNLCAVSFLKDD-UHFFFAOYSA-N
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-rxn:4:213263:225829,CC1CCN(c2ncc(-c3cccc(C(=S)N4CCN(C(=S)c5ccc(N(C)C)cc5)CC4)c3)cn2)CC1,HLTBMNVRSUYSCJ-UHFFFAOYSA-N
-rxn:4:213265:222817,COc1ccc(S(=O)(=O)NC2CC2)cc1-c1ccc(C(=O)N2CCC(N3CCC(Oc4nccs4)CC3)CC2)o1,OZYFUIMVFOQUJY-UHFFFAOYSA-N
-rxn:4:213271:222804,COc1ccc(-c2ccc(NC3CCS(=O)(=O)CC3)cc2)c(C(=O)N2CCC(N3CC(=O)N(C4CC4)C3=O)CC2)c1,OBHSPWIGAZPXEI-UHFFFAOYSA-N
-rxn:4:213277:224459,COc1ccc(S(=O)(=O)N2CCC(c3nc(-c4cccc(-c5ccc(N6CCCC6)c(C(C)(C)C)c5)c4)no3)CC2)cc1,AQBQOYUYULFYAR-UHFFFAOYSA-N
-rxn:4:213280:224036,CC(C)(C)c1ccc(-c2ccc(-c3ccc(CN4CCN(CC(F)(F)F)CC4)c(N4CCCCC4)c3)cc2)cc1,CQYLWSLAYUIVQC-UHFFFAOYSA-N
-rxn:4:213355:224665,CC(C)CS(=O)(=O)C1CN(C(=O)c2c3ccc(-c4ccc(F)cc4CN4CCN(C)CC4)cc3nn2C)C1,GROFLDZZXGWQBS-UHFFFAOYSA-N
-rxn:4:213388:224064,CC1CCCCN1c1cc(-c2ccnc3c2ccn3CC2CCN(C(=O)OC(C)(C)C)CC2)cc(C2CC2)c1,IFBUBPGEAJZFSO-UHFFFAOYSA-N
-rxn:4:213400:222706,COc1cccc(N2CCN(C(=O)Cn3ccc4ccc(-c5cc(C6CCNCC6)ccc5C(F)(F)F)cc43)CC2)c1,APBUHTZEFMYGLD-UHFFFAOYSA-N
-rxn:4:213421:224171,O=C(Cc1ccc(-c2ccc(OCCCN3CCCC3)c(F)c2)cc1)N1CCC(Cn2nc3c(cc2=O)CCC3)CC1,OEQATYXQLCXGAB-UHFFFAOYSA-N
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-rxn:4:213713:225373,COc1cc(-c2cnc([C@@H]3CCCN3C(=O)OC(C)(C)C)[nH]2)c(Cl)cc1OC(F)(F)F,WOOCPRUHEGCRQQ-AWEZNQCLSA-N
-rxn:4:213799:222634,CC(C)(C)OC(=O)N1CCOC(c2cc(-c3ccc(OCCNC4CCCC4)c(F)c3)ncn2)C1,VYJWXXQVURFMCZ-UHFFFAOYSA-N
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-rxn:4:213829:222582,O=C(NCCN1CCOCC1)c1cccc(-c2cnc(OC3CCCN(C(=O)c4ccc(F)c(F)c4F)C3)nc2)c1,PPWRTRNOGZFXDU-UHFFFAOYSA-N
-rxn:4:213830:223498,CC(C)CN1CCC(Cn2cc(-c3ccc(C(=O)N4CCCN(C(=O)OC(C)(C)C)CC4)cc3)cn2)CC1,QVFQTLSCYPPUQN-UHFFFAOYSA-N
-rxn:4:213835:223080,CC(C)NS(=O)(=O)c1ccc(-c2ccnn2C2CCN(C(=O)OC(C)(C)C)CC2)cc1,HSCNABPSBBPOQB-UHFFFAOYSA-N
-rxn:4:213839:224172,CN(Cc1cccc(-c2nccn2C2CCN(C(=O)OC(C)(C)C)CC2)c1)C(=O)OC(C)(C)C,HHTKHOWDFWPELH-UHFFFAOYSA-N
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-rxn:4:213884:225232,CC1CCN(c2cc(-c3nccc(C4CCN(C(=O)OC(C)(C)C)CC4)n3)cnc2Cl)CC1,LXPHOQXHARWWLG-UHFFFAOYSA-N
-rxn:4:213888:223574,CC(C)(C)OC(=O)N1CCN(Cc2cccc(-c3cncc(C4CCCN(C(=O)OC(C)(C)C)C4)n3)c2)CC1,TXVUBIBKEPKRAA-UHFFFAOYSA-N
-rxn:4:213888:226005,CC(C)(C)OC(=O)N1CCCC(c2cncc(-c3ccc(OCC(F)(F)F)c(F)c3)n2)C1,RAOKPNPBVLCEJR-UHFFFAOYSA-N
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-rxn:4:213973:222619,O=C(NCc1ccc(-c2cc(C(F)(F)F)cnc2N2CCOC(C(=O)N3CCSCC3)C2)cc1)C1CCCCC1,FTOZFUVEBLVUHX-UHFFFAOYSA-N
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-rxn:4:214033:227967,CC(C)[C@H]1COC(c2cc(-c3cccnc3C3CCC3)cc(C3=N[C@@H](C(C)C)CO3)n2)=N1,CFMXNOJTWATNQB-DHIUTWEWSA-N
-rxn:4:214037:224513,CS(=O)(=O)N1CCN(C(=O)C2CC(=O)N(c3ccc(-c4cc(F)ccc4OCc4ccccc4)cc3)C2)CC1,VWXPQZFOGXHOJM-UHFFFAOYSA-N
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-rxn:4:214047:223059,Cc1cc(N2CCN(C(=O)OC(C)(C)C)C(C)C2)ncc1-c1ccc(N2CCNCC2)cc1Cl,KALHUJJQDQUQMH-UHFFFAOYSA-N
-rxn:4:214052:222702,Cc1c(C(=O)N2CCC(N(C)c3ccccn3)CC2)cccc1-c1cc(C2CCCNC2)ccc1C(F)(F)F,NAXNXKVZNMEVDG-UHFFFAOYSA-N
-rxn:4:214071:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3cccc(C(=O)N4CCN(S(=O)(=O)N5CCCCCC5)CC4)c3)cc2)CC1,CDVROWHOBDCIFU-UHFFFAOYSA-N
-rxn:4:214074:222975,Cc1cc(C(=O)NC2CC2)ccc1-c1ccc(S(=O)(=O)n2nc(C)c(S(=O)(=O)N3CCCC(C)C3)c2C)cc1,OUINNGJZFVJWRX-UHFFFAOYSA-N
-rxn:4:214303:222967,CC(C)CNC(=O)c1cccc(-c2ccc(Oc3nc4ccccn4c(=O)c3C=C3SC(=S)N(C(C)C)C3=O)cc2)c1,ZNPVFGDSMREYHY-UHFFFAOYSA-N
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-rxn:4:214630:223813,O=C(c1[nH]nc(C2CC2)c1-c1ccc(CN2CCC3(CC2)OCCO3)c(F)c1)N1CCOCC1,ZQYOQEAAKWSISP-UHFFFAOYSA-N
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-rxn:4:214742:224197,CCN1CCN(Cc2ccc(-c3cc(N4CCC(N(C)C)CC4)ccc3C#N)cc2F)CC1,ABFHOLFTWWIPKM-UHFFFAOYSA-N
-rxn:4:214747:224153,CN(C)C1CCN(c2c(C#N)cccc2-c2cc(N3CCCC3)cc(N3CCCC3)c2)CC1,CQMSLGUTZOPYEG-UHFFFAOYSA-N
-rxn:4:214752:224820,CC(C)N1CCN(C(=O)c2ccc(F)c(-c3cccc(S(=O)(=O)N4CCOCC4)c3)n2)CC1,NRMRXUCEWDWOQM-UHFFFAOYSA-N
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-rxn:4:214838:223028,CCCNC(=O)c1ccc(F)c(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)c(F)c2)c1,RRQGDMJDOPJAMP-UHFFFAOYSA-N
-rxn:4:214838:225093,CCCOc1c(Cl)cc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)c(F)c2)cc1OCC,NRKNHANZPRNYMG-UHFFFAOYSA-N
-rxn:4:214862:226236,CCCCOc1ncc(C)cc1-c1cncc(C(=O)N2CCCN(C3CCSC3)CC2)c1,VUZHFFJEPNYLLW-UHFFFAOYSA-N
-rxn:4:214870:223670,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2cc(Cl)cnc2N2CCCC(C(=O)N3CCOCC3)C2)CC1,YUTPNLBBMQPQJJ-UHFFFAOYSA-N
-rxn:4:214870:226232,CN(C)CCOc1cccc(-c2cc(Cl)cnc2N2CCCC(C(=O)N3CCOCC3)C2)c1,PYXKOPWOISUNNM-UHFFFAOYSA-N
-rxn:4:214870:226337,N#Cc1cc(C2CC2)cc(-c2cc(Cl)cnc2N2CCCC(C(=O)N3CCOCC3)C2)c1Cl,SMMDCMWWZDZMHG-UHFFFAOYSA-N
-rxn:4:214872:224931,CCN(CC)c1cc(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCCCC3)C2)cc(C2CC2)n1,XBQWUBZJOQNWEW-UHFFFAOYSA-N
-rxn:4:214872:226246,CCCCOc1cccc(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCCCC3)C2)c1F,ZIJSLPCJMDWCPJ-UHFFFAOYSA-N
-rxn:4:214880:225313,Cc1cc(-c2ccc(N3CCN(C)CC3)nc2F)cnc1N1CCOC(C(=O)N2CCOCC2)C1,AMJCHAUGHPOGRV-UHFFFAOYSA-N
-rxn:4:214881:222412,CNC(=O)Nc1ccc(-c2cccnc2N2CCC(C(=O)N3CCC(F)(F)CC3)CC2)cc1,IFCWLZCTRBTICO-UHFFFAOYSA-N
-rxn:4:214885:225091,CCCCOc1c(OC)ccc(-c2cnc(N3CCC(C(=O)N4CCC(F)(F)CC4)CC3)c(Cl)c2)c1F,CBDVOMSEPYQVHX-UHFFFAOYSA-N
-rxn:4:215062:224167,CN(Cc1ccc(-c2ncc3n2CCN(C(=O)OC(C)(C)C)C3)cc1)C(=O)OC(C)(C)C,HPLVIEXNJIAHHR-UHFFFAOYSA-N
-rxn:4:215148:223103,CC(C)(C)NS(=O)(=O)c1ccc(-c2ncc3n2CC(C)(C)N(C(=O)OC(C)(C)C)C3)s1,NIPHINAKHXOTIP-UHFFFAOYSA-N
-rxn:4:215164:224195,CCN1CCN(Cc2cc(-c3ccc4c(c3)sc(=NC(=O)CN3C(=O)c5ccccc5C3=O)n4C)ccc2Cl)CC1,SGSQJYDUCNTQTF-UHFFFAOYSA-N
-rxn:4:215239:225309,O=C1C2ON(c3ccc(-c4cc(C5CC5)cc(C(F)(F)F)c4Cl)cc3)C(c3cccnc3)C2C(=O)N1C1CCCCC1,WZUFNFZTHICIKD-UHFFFAOYSA-N
-rxn:4:215300:223084,OC1CCN(c2ncc(-c3ccc4c(c3)C3CC(c5ccco5)=NN3C3(CCN(Cc5ccccc5)CC3)O4)cn2)CC1,ULEBAOMRLOFRBV-UHFFFAOYSA-N
-rxn:4:215828:223823,CC1CN(c2ncc(-c3cnn(C4CCN(C(=O)OC(C)(C)C)CC4)c3)cc2[N+](=O)[O-])CCO1,ZBPYYQWEUWEIRB-UHFFFAOYSA-N
-rxn:4:215879:223785,CCN1CCN(CCOc2ccc(-c3ccc(N4CCC(N(C)C)C4)nc3)cc2Cl)CC1,CHFLDJOVJBTZSX-UHFFFAOYSA-N
-rxn:4:215886:224128,CC1CCN(c2ncc(-c3ccc(C(=O)N(C)C4CCCCC4)cc3)cc2[N+](=O)[O-])CC1,DFZCIEMYDBICKM-UHFFFAOYSA-N
-rxn:4:215909:222828,CN1CCN(c2cc(F)c(-c3cc(F)c(F)cc3S(=O)(=O)NC3CC3)cc2[N+](=O)[O-])CC1,XDRJPCKBORHFNH-UHFFFAOYSA-N
-rxn:4:215945:223728,CCCCCC1CCC(c2ccc(-c3cc(N4CCC(N(C)C)CC4)ccn3)c(F)c2)CC1,SPASQGDMADRNED-UHFFFAOYSA-N
-rxn:4:215963:224253,CC1CCCN(c2cc(C3CC3)nc(-c3ccc(F)c(C(=O)N4CCCCC4C)c3)n2)C1,VQILGYYHVJRDPG-UHFFFAOYSA-N
-rxn:4:215963:224323,Cc1cc(-c2nc(C3CC3)cc(N3CCCC(C)C3)n2)cc(C)c1S(=O)(=O)N1CCCC1,RVIOZGJBSCFOSW-UHFFFAOYSA-N
-rxn:4:215986:223872,CCN(C(=O)c1cccc(-c2nc(N3CCC(C)CC3)cc(C(C)(C)C)n2)c1)C1CCCCC1,NHYQKRNUHOEDTQ-UHFFFAOYSA-N
-rxn:4:217040:223608,O=S(=O)(c1cc(-c2c[nH]c(N3CCOCC3)n2)ccc1OC(F)(F)F)N1CCOCC1,BGDXWCTYAQPLRE-UHFFFAOYSA-N
-rxn:4:218585:224665,CN1CCN(Cc2cc(F)ccc2-c2cnc(OCC3CCN(Cc4ccc(C#N)cc4F)CC3)nc2)CC1,LEHKKSRNYSCJKV-UHFFFAOYSA-N
-rxn:4:218585:224762,N#Cc1ccc(CN2CCC(COc3ncc(-c4ccc(C(=O)N5CCOCC5)c(F)c4)cn3)CC2)c(F)c1,JXSBHQFPRMDEFG-UHFFFAOYSA-N
-rxn:4:218588:223106,N#Cc1ccccc1S(=O)(=O)N1CCC(COc2ncc(-c3cnc(N4CCC(O)C4)nc3Cl)cn2)CC1,BIMAKHKRCGCBQU-UHFFFAOYSA-N
-rxn:4:218589:223529,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cnc(OCC4CCCN(S(=O)(=O)c5ccc(C#N)cc5)C4)nc3)cc2F)CC1,KMDJSGWIDUGGKG-UHFFFAOYSA-N
-rxn:4:218606:223838,COc1ncccc1C(=O)N1CCCC(COc2ncc(-c3ccc(N4CCN(S(=O)(=O)N(C)C)CC4)cc3)cn2)C1,OJNPXSVDNUITPL-UHFFFAOYSA-N
-rxn:4:218643:225301,O=C(c1cncc(-c2cc(OC3CCOCC3)ncc2F)c1)N1CCC(COc2ccc(C3CC3)nn2)CC1,QLWKHTGNEYZBLY-UHFFFAOYSA-N
-rxn:4:218645:224007,CC(C)COc1cc(OC(F)(F)F)cc(-c2ccc(OCc3nc(C#N)c(N4CCN(c5cccc(Cl)c5)CC4)o3)cc2)c1F,XCMFDFAUQPGSCL-UHFFFAOYSA-N
-rxn:4:218663:223561,CN(C)c1ccc(C(=O)N2CCC(COc3ncc(-c4ccc(N(C(=O)OC(C)(C)C)c5ccccc5)cc4)cn3)CC2)cc1,NTQSTJPJCMVHCD-UHFFFAOYSA-N
-rxn:4:218666:225977,CC(C)(C)c1ccc(OCC2CCN(C(=O)c3cncc(-c4cc(Cl)cnc4N4CCOCC4)c3)C2)nn1,ZSNYIUKWDZVORX-UHFFFAOYSA-N
-rxn:4:218677:223839,CCOc1ccc(-c2ccc(N3CCN(C(=O)c4ccc(-c5cc(S(=O)(=O)N6CCN(C)CC6)ccc5OC)o4)CC3)nn2)cc1,NFYRQXGUJZGJLO-UHFFFAOYSA-N
-rxn:4:218694:225199,Cc1c(C#N)ccnc1O[C@@H]1CC[C@@H](C)N(C(=O)c2cc(-c3cc(F)c(OC4CCCC4)c(F)c3)ccc2-c2nccs2)C1,JFJVLLVUHLGUBK-FQRUVTKNSA-N
-rxn:4:218696:226714,Cc1nn(C(C)CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c(C)c1-c1ccnn1C(=O)OC(C)(C)C,NKSDDSZNWSMAEX-UHFFFAOYSA-N
-rxn:4:218704:222929,Cc1cc(Cl)ccc1OCC(=O)N1CCCN(c2cc(-c3ccc(-c4cnc(Cl)c(N5CCC(O)CC5)c4)cc3)n[nH]2)CC1,FIFWPEAEJGBDGC-UHFFFAOYSA-N
-rxn:4:218706:227781,Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCn3nc(C)c(-c4cnc(Cl)cc4C(F)(F)F)c3C)CC2)cc1C,MWOQWXFYSIESGU-UHFFFAOYSA-N
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-rxn:4:218718:222630,COC(=O)Cc1c(C(=O)OC)nnc2c(-c3ccc(-c4cc(C5CCC5)nc(C5CCNCC5)c4)cc3)c(C)nn12,DWRLNZPHQMOHTL-UHFFFAOYSA-N
-rxn:4:218754:228214,CC(C)(C)OC(=O)N1CCC(n2c(=O)c3scc(-c4cnc(C5CC5)cc4F)c3n(CC#N)c2=O)CC1,SVJGIQGBPCKRJA-UHFFFAOYSA-N
-rxn:4:218778:222898,COC(=O)CNC(=O)c1ccc(-c2cc(Cl)cc3c2nc(N2CC4(CN(C(=O)OC(C)(C)C)C4)C2)n3Cc2cc(C)c(F)c(C)c2)cc1,OORMELPFNQXYGU-UHFFFAOYSA-N
-rxn:4:218867:226177,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3ccnc(C4CCCCC4)c3)c2)no1,DWSRDRCMZPGWGC-UHFFFAOYSA-N
-rxn:4:218868:225638,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3ccc(N4CCC(C)CC4)nc3)cc2)no1,OIUGNZOUIDLTAZ-UHFFFAOYSA-N
-rxn:4:218891:222700,N#Cc1cccc(CN2CCC(Oc3ncc(-c4ccc(C(F)(F)F)cc4C4CCCNC4)cn3)CC2)c1,XCFFBSKLGGCGRZ-UHFFFAOYSA-N
-rxn:4:218895:222634,CCc1ncnc(OC2CCN(C(=O)c3cncc(-c4ccc(OCCNC5CCCC5)c(F)c4)c3)C2)c1F,LQIGFXUVGDLATC-UHFFFAOYSA-N
-rxn:4:218917:223228,CCC(=O)Nc1ccc(-c2cnc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)nc2)cc1,LXCDKTPAWHWJJX-UHFFFAOYSA-N
-rxn:4:218945:223168,CC(C)(C)OC(=O)N1CCN(c2c(-c3cccnc3N3CCNCC3)cncc2[N+](=O)[O-])CC1,YZAQVECQAJVPRH-UHFFFAOYSA-N
-rxn:4:218971:223787,Cc1nc(C)c(C(=O)N2CCC(COc3ncc(-c4ccc(OCCCN5CCN(C)CC5)c(F)c4)cn3)CC2)s1,JRIQJYIFKRWDDX-UHFFFAOYSA-N
-rxn:4:218975:222693,Cc1cccnc1OCC1CCN(c2ncc(-c3ccc(S(=O)(=O)NC4CCCCC4)cc3)cc2C#N)CC1,FSCXYVBMEPZMBR-UHFFFAOYSA-N
-rxn:4:218975:222694,Cc1cccnc1OCC1CCN(c2ncc(-c3cccc(S(=O)(=O)NC4CCCCC4)c3)cc2C#N)CC1,KLSJISLMYCTJEX-UHFFFAOYSA-N
-rxn:4:218992:228803,C[Si](C)(C)c1csc(-c2cnn(CC3CN(C(=O)C4CCN(S(C)(=O)=O)CC4)C3)c2)c1,PQHKMLWHHVVGNW-UHFFFAOYSA-N
-rxn:4:218998:223595,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(OCC4CCCN(C(=O)N5CCOCC5)C4)nc3)cc2F)CC1,MDGHRYNYWSTKNT-UHFFFAOYSA-N
-rxn:4:218998:224009,COc1ccc(-c2cnc(OCC3CCCN(C(=O)N4CCOCC4)C3)nc2)cc1S(=O)(=O)N1CCOCC1,SSNGRXVTOTTYSK-UHFFFAOYSA-N
-rxn:4:219002:224718,Cn1cccc(C(=O)N2CCCC(COc3ncc(-c4ccc(OCCN5CCOCC5)nc4)cn3)C2)c1=O,PXOSCZZTDSHTOS-UHFFFAOYSA-N
-rxn:4:219015:225535,CCN(CC)Cc1cc(-c2ccc(OC)cc2C(=O)N2CCC(S(=O)(=O)c3nncn3C)CC2)ccc1Cl,XZIUFBQHOLJSKT-UHFFFAOYSA-N
-rxn:4:219044:223960,CCN1CCN(C(=O)c2cc(-c3cncc(C(=O)N4CCC(Cn5ccnc5C(C)C)CC4)c3)ccc2F)CC1,XERZVZQIBYAJHP-UHFFFAOYSA-N
-rxn:4:219046:226554,CCCOc1cc(F)c(-c2cnc(OCC3CCCN(C4CCN(C5CC5)C4=O)C3)nc2)cc1F,DOMCCYTUTXSYDJ-UHFFFAOYSA-N
-rxn:4:219051:222403,CC(C)NC(=S)Nc1cccc(-c2cnc(N(C)C3CCCN(C(=O)OC(C)(C)C)CC3)cn2)c1,JOEUOKMSHKPWNB-UHFFFAOYSA-N
-rxn:4:219073:225338,O=C(c1ccc(-c2ccc(F)c(COCC(F)(F)F)c2)cc1)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCC3)c2)CC1,IXRKWSUSPLCBHR-UHFFFAOYSA-N
-rxn:4:219107:224323,CCC(=O)C1=C(c2ccc(-c3cc(C)c(S(=O)(=O)N4CCCC4)c(C)c3)cc2)N(C(=O)CC)n2c(C)nnc2S1,HGXIGGBQVRPWAX-UHFFFAOYSA-N
-rxn:4:219120:224718,O=C(c1cncc(-c2ccc(OCCN3CCOCC3)nc2)c1)N1CC2CCCC2(COc2ncc(F)cn2)C1,XUCJPJZIEKAKPT-UHFFFAOYSA-N
-rxn:4:219128:225173,O=C(c1ccc(-c2cnc(OCC3CCN(Cc4nc5c(s4)CCC5)CC3)nc2)c(F)c1)N1CCCC1,BBGFPPJSLXUSJM-UHFFFAOYSA-N
-rxn:4:219130:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(C(=O)N4CCN(Cc5nc6cc(OC)ccc6[nH]5)CC4)o3)c2)CC1,RBAIAGVNCSIKGY-UHFFFAOYSA-N
-rxn:4:219174:222741,O=C(CCc1ccccc1-c1cc(C2CC2)nc(C2CCCNC2)c1)N1CCCc2cnc(N3CCOCC3)nc21,WMJHEUSSNAQNLX-UHFFFAOYSA-N
-rxn:4:219187:223979,O=C(c1cc(-c2ccc(-c3csc(N4CCN(CCN5C(=O)c6ccccc6C5=O)CC4)n3)cc2)cc([N+](=O)[O-])c1)N1CCCCC1,JJKPFPHZNVULCM-UHFFFAOYSA-N
-rxn:4:219247:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnn(CC4CN(C(=O)c5scnc5C)C4)c3)c(F)c2)CC1,WGIDJSVICLHPJI-AFARHQOCSA-N
-rxn:4:219343:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnccc3OC3CCN(c4nnc(C5CC5)s4)C3)c(F)c2)CC1,ABXFMDVVQXORRC-RFJGZHNSSA-N
-rxn:4:219343:223728,CCCCCC1CCC(c2ccc(-c3cnccc3OC3CCN(c4nnc(C5CC5)s4)C3)c(F)c2)CC1,ABXFMDVVQXORRC-UHFFFAOYSA-N
-rxn:4:219360:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cccnc3OC3CCN(C(=O)c4snnc4C)CC3)c(F)c2)CC1,XSGWZBZYONXFON-YHBQERECSA-N
-rxn:4:219370:223947,CCN(C(=O)OC(C)(C)C)c1ccc(-c2cnn(C3CCCN(C(=O)OC(C)(C)C)C3)n2)c(F)c1,LPGSBYFUGFYIFD-UHFFFAOYSA-N
-rxn:4:219403:222776,O=C1C(N2CC(Cn3cc(-c4ccc(CN5CCC(O)CC5)cc4F)cn3)C2)CCN1C1CC1,SEAQPFDOKGTTHW-UHFFFAOYSA-N
-rxn:4:219419:225197,Cc1nc(N2CCN(C(=O)c3ccc(-c4cc(F)c(OC5CCCC5)c(Cl)c4)o3)CC2)cc(C(F)(F)F)n1,GKQZSFSLWYDJSR-UHFFFAOYSA-N
-rxn:4:219437:224325,COc1ccccc1N1CCN(c2ncc(-c3ccc(C4=CCN(S(C)(=O)=O)CC4)cc3)cc2C#N)CC1,NYKGJKPEVGIZFO-UHFFFAOYSA-N
-rxn:4:219471:222599,CSc1ncc(-c2ccc(C(=O)Nc3cccc(Cl)c3)c(F)c2)c(N2CCOC(C(=O)N3CCCC3)C2)n1,NJTACRPUGMRNKO-UHFFFAOYSA-N
-rxn:4:219471:222847,CSc1ncc(-c2cc(C#N)cc(C3CCCNC3)c2)c(N2CCOC(C(=O)N3CCCC3)C2)n1,YCGYIENHUBRFLK-UHFFFAOYSA-N
-rxn:4:219499:224176,N#Cc1cc(-c2ccc(OCCSC3CCOCC3)cc2)cnc1N1CCCC(C(=O)N2CCOCC2)C1,MFBJWCKTIOHDNM-UHFFFAOYSA-N
-rxn:4:219501:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnc(SC)nc3N3CCOC(C(=O)N4CCOCC4)C3)c(F)c2)CC1,PLUUBAAWUKRTSS-BWZATIJHSA-N
-rxn:4:219501:227480,CCCOc1nccc(-c2cnc(SC)nc2N2CCOC(C(=O)N3CCOCC3)C2)c1Cl,DMQOEUUJIZOQHC-UHFFFAOYSA-N
-rxn:4:219503:222396,Cc1ncnc(N2CCN(C(=O)Cc3ccc(-c4ccc(C(=O)NC5CCC(O)CC5)cc4)cc3)CC2)c1F,FXGXTKPPJILWQT-UHFFFAOYSA-N
-rxn:4:219507:226256,CCCCOc1cc(F)ccc1-c1ccccc1C(=O)N1CCC(n2nc(C(F)(F)F)n(C)c2=O)CC1,UKTKCPOIMMAMOY-UHFFFAOYSA-N
-rxn:4:219523:224820,O=C(c1ccccc1-c1cccc(S(=O)(=O)N2CCOCC2)c1)N1CCN(c2ccc(C3CC3)nn2)CC1,ODMMVIUOHMOZME-UHFFFAOYSA-N
-rxn:4:219534:223916,CC(C)N1CCN(C(=O)c2ccc(-c3cncc(C(=O)N4CCC(n5nc(C6CC6)ccc5=O)CC4)c3)cc2)CC1,XFHOUQLRPRKJTH-UHFFFAOYSA-N
-rxn:4:219651:224409,COc1ccc(-c2cc(OCC(F)(F)F)cc(C(F)(F)F)c2)c(CN2N=NC3C(=O)N(c4ccc(F)cc4)C(=O)C32)c1,XCNBEFKTRZKRKJ-UHFFFAOYSA-N
-rxn:4:219654:225223,CC1CCN(c2cc(F)c(-c3cc4c(N5CCN(C(=O)OC(C)(C)C)CC5)ncnc4s3)cn2)CC1,AWFKVIIRVHRUIO-UHFFFAOYSA-N
-rxn:4:219667:223697,O=C(c1ccccc1-c1ccc(S(=O)(=O)N2CCCCC2)cc1C(F)(F)F)N1CCN(S(=O)(=O)c2cccc3nsnc23)CC1,RBLIEVHSNXPWRR-UHFFFAOYSA-N
-rxn:4:219687:224369,CCN(CC)S(=O)(=O)c1cc(-c2ccc3nnn(C4CCN(C(=O)OC(C)(C)C)CC4)c3c2)c(F)cc1C,QKWCWEWOQLKAPK-UHFFFAOYSA-N
-rxn:4:219688:223065,CC(C)(C)OC(=O)N1CCC(c2nc3ccc(-c4ccc(N5CCNCC5)cc4F)cn3n2)CC1,RTXMFQGKBFWAGL-UHFFFAOYSA-N
-rxn:4:219697:224730,CC(C)COc1ccc(C(F)(F)F)cc1-c1ccc(CC(=O)N2Cc3cnc(N4CCOCC4)nc3C2)cc1,BEZJBMMOBDJSJL-UHFFFAOYSA-N
-rxn:4:219704:225979,CC(C)(C)OC(=O)N1CCN(c2cnc3ccc(-c4cnc(N5CCOCC5)c(Cl)c4)cc3n2)CC1,OGTDOKRTJMRLHT-UHFFFAOYSA-N
-rxn:4:219706:222852,CC(C)(C)OC(=O)N1CCN(c2ncnc3cc(-c4cccc(CN5CCC(O)CC5)c4)c(Cl)cc23)CC1,YNSNCUOGICCCOO-UHFFFAOYSA-N
-rxn:4:219706:223491,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cc4ncnc(N5CCN(C(=O)OC(C)(C)C)CC5)c4cc3Cl)cc(C(F)(F)F)c2)CC1,VCHWGJQHRJKHHJ-UHFFFAOYSA-N
-rxn:4:219750:225875,COc1ccc(-c2ccc(N3CCOCC3)cc2Cl)c(C(=O)N2CCCc3cnc(N4CCOCC4)nc32)c1,KSBHPIOZKNWGNX-UHFFFAOYSA-N
-rxn:4:219879:223589,Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1cccc(CN2CCN(c3cnsn3)CC2)c1,UKAVCYOHRGQURZ-UHFFFAOYSA-N
-rxn:4:219880:222537,CSc1ncc(-c2cc(C3CCCC3)nc(C3CCCNC3)c2)c(N2CCN(S(C)(=O)=O)CC2)n1,HKGVOKADOYYHQQ-UHFFFAOYSA-N
-rxn:4:219910:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnccc3OC3CCN(c4nccn(C)c4=O)C3)c(F)c2)CC1,OXGCOURSHYJPBN-JGPFKASNSA-N
-rxn:4:219931:224289,CN(C(=O)OC(C)(C)C)c1ccc(-c2cnc(N3CCCN(S(=O)(=O)C4CC4)CC3)nc2)c(F)c1,HSLTXRLDFPAVDY-UHFFFAOYSA-N
-rxn:4:219938:223542,CN1CCN(S(=O)(=O)c2cc(-c3ccc(S(=O)(=O)N4CCN(c5cnccn5)CC4)cc3)ccc2OC(F)(F)F)CC1,KNCXQKSILYSDMP-UHFFFAOYSA-N
-rxn:4:219955:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cnc(N4CCOC(C(=O)N5CCSCC5)C4)nc3)c2Cl)CC1,PLZPHWYOEZINKY-UHFFFAOYSA-N
-rxn:4:219980:222465,Cc1cc(N2CCN(Cc3ccccc3-c3cc(C4CCCCC4)nc(C4CCCNC4)c3)CC2)ncn1,VKDTWNAUDJUHTH-UHFFFAOYSA-N
-rxn:4:219981:224863,CC(C)N(Cc1ccccc1-c1cnc(N2CCCC(C(=O)N3CCSCC3)C2)nc1)C(C)C,OPKIRWXTJSQOFW-UHFFFAOYSA-N
-rxn:4:220036:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3cnc4c(n3)c(C)nn4C(=O)OC(C)(C)C)cc21,NUEYZHSWFPJOHB-UHFFFAOYSA-N
-rxn:4:220040:223636,CC(C)(C)OC(=O)N1CCn2nc(-c3ccc(C4CCCN(C(=O)OC(C)(C)C)C4)cc3)nc2C1,JRZLSLKSILLFBQ-UHFFFAOYSA-N
-rxn:4:220131:222443,COc1ccc(CNC(=O)c2cc(F)cc(-c3cnc(N4CC(N5CC6CCCC6C5)C4)c(C#N)c3)c2)cc1,NUXISHDXXPKRDP-UHFFFAOYSA-N
-rxn:4:220203:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc4c(N5CCN(c6ccccc6OC)CC5)ncnc4c3)c(F)cc2C)CC1,HHCMKUZCZWNIOF-UHFFFAOYSA-N
-rxn:4:220221:223687,CN1CCN(C(=O)c2cc3n(n2)CC(c2ccc(-c4cnc(N5CCN(C(=O)OC(C)(C)C)CC5)nc4)cc2)OC3)CC1,XHQZQKYZMIQDPG-UHFFFAOYSA-N
-rxn:4:220222:225186,Cc1ccc(-c2ccc(F)c(CN3CCSCC3)c2)cc1C(=O)N1CCN(c2cc3c(nn2)CCC3)CC1,QPJVKYMWCYQPES-UHFFFAOYSA-N
-rxn:4:220415:224022,c1cc(C23CC4CC(CC(C4)C2)C3)ccc1-c1cnc(N2CCN(C3CCC3)CC2)nc1,DXLBXSMGVRJBOM-UHFFFAOYSA-N
-rxn:4:220429:223712,COc1ccc(-c2cnc(N3CCCN(C4CCOC4)CC3)nc2)cc1C12CC3CC(CC(C3)C1)C2,ZLNSWQLTIWJKKV-UHFFFAOYSA-N
-rxn:4:220430:225005,CC(c1cccc(-c2cnc(N3CCCN(C4CCSC4)CC3)nc2)c1)N1CCOCC1,PMCDCTLOPMYWBE-UHFFFAOYSA-N
-rxn:4:220537:222462,CC(C)(C)OC(=O)Nc1nc2cc(F)c(-c3ccc4nc(N5CCN(C6CCC6)CC5)ncc4c3)c(F)c2s1,GSOCIYLBNBARFR-UHFFFAOYSA-N
-rxn:4:221100:225285,COc1nn(C)cc1C(=O)N1CCC(COc2ncc(-c3cnc(CC(C)C)c(C(F)(F)F)c3)cn2)CC1,SIAMBZMXRPLDCQ-UHFFFAOYSA-N
-rxn:4:221101:224672,CCN1CCN(c2ccc(-c3cnc(OCC4CCCN(C(=O)c5cn(C)nc5OC)C4)nc3)c(Cl)c2)CC1,HBHPTZKZKCUSFZ-UHFFFAOYSA-N
-rxn:4:221116:223800,CCOc1ccc(-c2cc(OCc3ccccc3)cc(C(F)(F)F)c2)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N3CCCCC3)n2)CC1,MEMVMWNWWJCALF-UHFFFAOYSA-N
-rxn:4:221139:223523,CCN1CCN(S(=O)(=O)c2ccc(-c3cnc(OCC4CCCN(Cc5nnco5)C4)nc3)c3ccccc23)CC1,LEDOZQOAERJKPR-UHFFFAOYSA-N
-rxn:4:221147:222694,N#Cc1ccnc(N2CCCC(COc3ncc(-c4cccc(S(=O)(=O)NC5CCCCC5)c4)cn3)C2)c1,SSYQHGGATGNNJR-UHFFFAOYSA-N
-rxn:4:221152:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnc(OCC4CCCN(C(=O)c5snnc5C)C4)nc3)c(F)c2)CC1,LVFWVGNDIADYKT-GLQXSRQHSA-N
-rxn:4:221152:223897,Cc1ccc(-c2cnc(OCC3CCCN(C(=O)c4snnc4C)C3)nc2)cc1OCCCN1CCOCC1,QNXHBMYOGFPMOT-UHFFFAOYSA-N
-rxn:4:221168:222723,Cn1cc(CN2CCCC(COc3ncc(-c4cccc(NS(=O)(=O)N5CCOCC5)c4)cn3)C2)cn1,ILRNLFNVOUTRQM-UHFFFAOYSA-N
-rxn:4:221169:222466,Cn1cc(S(=O)(=O)N2CCCC(COc3ncc(-c4cc(C5CCCCC5)nc(C5CCNCC5)c4)cn3)C2)cn1,ZVZLYSDPZFRNKL-UHFFFAOYSA-N
-rxn:4:221171:224758,CCc1ncnc(N2CCCC(COc3ncc(-c4ccc(C(=O)N5CCOCC5)c(Cl)c4)cn3)C2)c1F,PMQKQFYUCTZNHA-UHFFFAOYSA-N
-rxn:4:221173:222682,COc1cccc(-c2cnc(OCC3CCCN(C(=O)c4ccc(=O)n(C)n4)C3)nc2)c1NC(=O)OC(C)(C)C,BBVXKHAJAIPZIO-UHFFFAOYSA-N
-rxn:4:221175:224613,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4cccc(N(C)C(=O)OC(C)(C)C)c4)cn3)C2)C(=O)C1=O,LZGIGRQCDQOEPL-UHFFFAOYSA-N
-rxn:4:221175:224952,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4cccc(CCN5CCOCC5)c4)cn3)C2)C(=O)C1=O,DDVLZZNSVRORDH-UHFFFAOYSA-N
-rxn:4:221175:225377,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4ccc(OC(F)F)c(C(F)(F)F)c4)cn3)C2)C(=O)C1=O,ZPXAOIJQYISPJB-UHFFFAOYSA-N
-rxn:4:221179:223951,CN1CCN(CCOc2ccc(-c3cnc(OCC4CCCN(c5ccnc(C6CC6)n5)C4)nc3)cc2F)CC1,GAGLZHBRBXPJKE-UHFFFAOYSA-N
-rxn:4:221206:222819,O=C(Nc1ccc(-c2ccc(CCN3CCN(c4cc(N5CCOCC5)ncn4)CC3)cc2)cn1)N1CCOCC1,IMAPDTULYLJCLK-UHFFFAOYSA-N
-rxn:4:221209:224759,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4cc(F)cc(C(=O)N5CCOCC5)c4)cc3)CC2)n1,QMXXGQQOQNEXMD-UHFFFAOYSA-N
-rxn:4:221230:225890,C[Si](C)(C)CCOCn1cc(-c2cnc(OCC3CCCN(c4nc5c(cc4C#N)CCC5)C3)nc2)cn1,TXONOHAOQHBTTH-UHFFFAOYSA-N
-rxn:4:221272:224764,CCCCCn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3ccc(C(=O)N4CCOCC4)cc3F)cc2)n(C)c1=O,KJYIKZGKVBTEFF-UHFFFAOYSA-N
-rxn:4:221298:223504,CSc1ncc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c([N+](=O)[O-])c2)c(N2CC(Cn3ccnc3)C2)n1,YIZBMTDJDZOSKW-UHFFFAOYSA-N
-rxn:4:221320:223638,Cn1nc(C(=O)N2CC(Cn3cc(-c4cccc(C5CCCN(C(=O)OC(C)(C)C)C5)c4)cn3)C2)ccc1=O,JKXKEPUAFSGZJP-UHFFFAOYSA-N
-rxn:4:221345:223847,CCCCCC1CCC(c2ccc(-c3cnc(OCC4CCN(c5ncc(Cl)cn5)CC4)nc3)cc2)CC1,SMJZICFVUKTQDT-UHFFFAOYSA-N
-rxn:4:221353:224379,CN1CCN(S(=O)(=O)c2ccccc2-c2cncc(C(=O)N3CCC(n4cc(C5CC5)nn4)C3)c2)CC1,GNBXQQUGCKUQGE-UHFFFAOYSA-N
-rxn:4:221360:222432,Cn1cnc(S(=O)(=O)N2CCCC(Oc3ncc(-c4ccc(S(=O)(=O)NC5CCCCC5)c5ccccc45)cn3)C2)c1,NKTGAJLOQYXJIB-UHFFFAOYSA-N
-rxn:4:221369:224718,Cn1nc(C(=O)N2CCCC(Oc3ncc(-c4ccc(OCCN5CCOCC5)nc4)cn3)C2)ccc1=O,MMEFORSGKIDLBS-UHFFFAOYSA-N
-rxn:4:221394:223994,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cnc(N2CCC(Cn3nc(C4CC4)ccc3=O)CC2)nc1,ZHEZATIQRCYTRW-UHFFFAOYSA-N
-rxn:4:221400:224320,Cc1ccc(S(=O)(=O)N2CCCCC2)cc1-c1cccc(CN2CCN(c3ccc(N(C)C)nn3)CC2)c1,ZNYNIEUNDRWSND-UHFFFAOYSA-N
-rxn:4:221406:222628,CN(C)c1cc(N2CCN(Cc3cccc(-c4cc(C5CCC5)nc(C5CCCNC5)c4)c3)CC2)ncn1,AZVNKSXQWVHONN-UHFFFAOYSA-N
-rxn:4:221413:223969,CC1CCN(c2ccc(C(F)(F)F)cc2-c2ccc(C(=O)N3CCN(c4cc(N5CCOCC5)ncn4)CC3)o2)CC1,YHMGHRLXZYJIET-UHFFFAOYSA-N
-rxn:4:221424:226652,Cc1cc(-c2cccc(CN3CCN(c4ccc(N5CCOCC5)nn4)CC3)c2)n(C2CCCCO2)n1,VKMVHQNLFZEVST-UHFFFAOYSA-N
-rxn:4:221441:226296,Cc1cc(N2CCOCC2)nc(N2CCN(Cc3cccc(-c4cc(F)cc(COC(C)C)c4)c3)CC2)n1,ZSQRBDYQLLTZRS-UHFFFAOYSA-N
-rxn:4:221456:222946,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cnc(N5CCCCC5O)nc4Cl)cc3)CC2)n1,IMPFWLYMDMKVTP-UHFFFAOYSA-N
-rxn:4:221456:223242,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccnc(C5CCNC5)c4)cc3)CC2)n1,JUXINQCAUFUTKG-UHFFFAOYSA-N
-rxn:4:221456:225923,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cnc(OC5CCCC5)nc4Cl)cc3)CC2)n1,CJVCWMGTQDCQLC-UHFFFAOYSA-N
-rxn:4:221498:224396,Cc1cc(-c2c[nH]c3ncnc(N4CCN(C(=O)OC(C)(C)C)CC4)c23)ccc1S(=O)(=O)N1CCOCC1,OAMZWKHVNAAIRI-UHFFFAOYSA-N
-rxn:4:221522:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3cnc(N4CCC(Cn5cnc6cc(OC)ccc6c5=O)CC4)nc3)cc2)CC1,ILBMJHJUKPVRJG-UHFFFAOYSA-N
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-rxn:5:177373:227804:225677,O=[N+]([O-])c1cc(-c2cc(-c3ccc(C4CCCCC4)nc3F)ccc2OCC2OCCO2)c([N+](=O)[O-])s1,NKFNRAGRNVPMGG-UHFFFAOYSA-N
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-rxn:5:177737:225451:226060,CC(C)(C)OC(=O)c1cc(-c2cc(C3CC3)cc(C3CC3)c2)ccc1-c1ccc(SC2CCCCC2)cc1,KDUAADKHBPPGLF-UHFFFAOYSA-N
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-rxn:5:177851:222956:227045,CCOc1c(-c2cccc(SC(C)(C)C)c2)cc(C2OCCO2)cc1-c1ccc(C)cc1C1CCCNC1,KKWXCUHYNIWMKO-UHFFFAOYSA-N
-rxn:5:177891:223295:227295,CS(=O)(=O)Nc1cncc(-c2ccccc2C(=O)SC2CS(=O)(=O)CC2c2ccnc(OC3CCC3)c2)c1,UVBCTKFPJBAOFW-UHFFFAOYSA-N
-rxn:5:177891:226643:227449,O=C(SC1CS(=O)(=O)CC1c1ccc(C2CCOCC2)s1)c1ccccc1-c1ccc(N2CCOCC2)nc1,VSEURXPHFXIKBP-UHFFFAOYSA-N
-rxn:5:177891:227654:227403,O=C(SC1CS(=O)(=O)CC1c1ccc(N2CCCCC2)s1)c1ccccc1-c1ccc(C2OCCO2)nc1,CHCWPAWUCKFRIR-UHFFFAOYSA-N
-rxn:5:177891:227656:225456,CN1CCC(c2ccc(C3CS(=O)(=O)CC3SC(=O)c3ccccc3-c3cc(N4CCOCC4)cs3)cc2)CC1,LIFASWLKZJVUQV-UHFFFAOYSA-N
-rxn:5:177891:227657:228879,O=C(SC1CS(=O)(=O)CC1c1ccnn1C1COC1)c1ccccc1-c1ccc(N2CCOCC2)s1,KNEORWKBGKSZJE-UHFFFAOYSA-N
-rxn:5:177891:227930:226898,Cc1nn(S(=O)(=O)N(C)C)cc1C1CS(=O)(=O)CC1SC(=O)c1ccccc1-c1cccc(OC2CC2)c1,SSPJJBGHXDXVLW-UHFFFAOYSA-N
-rxn:5:177891:228016:226446,Cc1nc(C2CCOC2)ccc1C1CS(=O)(=O)CC1SC(=O)c1ccccc1-c1cc(C2CCCC2)cs1,WABYVZRJUMUWFU-UHFFFAOYSA-N
-rxn:5:177891:228321:227449,COC(=O)c1cncc(-c2ccccc2C(=O)SC2CS(=O)(=O)CC2c2ccc(C3CCOCC3)s2)c1,ACQYILRCCSJQTE-UHFFFAOYSA-N
-rxn:5:177891:228692:226645,CN(C)Cc1ccc(-c2ccccc2C(=O)SC2CS(=O)(=O)CC2c2ccnc(N3CCOCC3)c2)s1,ZCZIREIDZOMOMN-UHFFFAOYSA-N
-rxn:5:177891:228878:225884,O=C(SC1CS(=O)(=O)CC1c1ccc(C2COCCO2)c(F)c1)c1ccccc1-c1cnn(C2COC2)c1,NJXPRVSBSPGSBK-UHFFFAOYSA-N
-rxn:5:177891:228879:226449,CC1(c2ccccc2C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2ccnn2C2COC2)OCCO1,RFBIVRRYYYMVAF-UHFFFAOYSA-N
-rxn:5:178118:225832:228866,COCc1noc(C)c1-c1ccc(-c2c(C)nn(C3CCCCO3)c2C)c(OCC2CCCCO2)c1,SYXHILMZIAVUHU-UHFFFAOYSA-N
-rxn:5:178119:223281:225636,Cc1cc(C(=O)OC(C)(C)C)cc(-c2ccc(C3(O)COC3)nc2)c1-c1ccnc(N2CCC(C)CC2)c1,BYVPYNOTLZEELH-UHFFFAOYSA-N
-rxn:5:178119:227065:225451,Cc1cc(C(=O)OC(C)(C)C)cc(-c2cccc(C(=O)C(C)C)c2)c1-c1ccc(SC2CCCCC2)cc1,DXWAVSFDIXYKFV-UHFFFAOYSA-N
-rxn:5:178122:227561:225447,COc1cc(F)c(-c2ccc(COC3CCCCO3)c(-c3ccc(OC4CCCCC4)cc3)c2)cc1OC,HLMQEEUHVWWELX-UHFFFAOYSA-N
-rxn:5:178226:225449:227568,COc1cc(F)c(-c2cccc(OCC3CCCCC3)c2-c2cccc(OC3CCCCC3)c2)c(OC)c1,BMRXNOPOXIZDHK-UHFFFAOYSA-N
-rxn:5:178226:226190:226464,COc1ccc2c(c1-c1cccc(OCC3CCCCC3)c1-c1ccc(C3CCCC3)cc1F)OCCO2,SHTCXUGADIYEFL-UHFFFAOYSA-N
-rxn:5:178295:223183:228616,CNS(=O)(=O)c1ccc(-c2ccc(-c3ccc(SC)cc3C)cc2C2(C(=O)OC)CCC(=O)CC2)c(C)c1,HWMCZOQHBQXBNL-UHFFFAOYSA-N
-rxn:5:178295:225417:226176,CCOc1ccc2ccccc2c1-c1ccc(-c2ccncc2C2CCCCC2)cc1C1(C(=O)OC)CCC(=O)CC1,CWAPZKINYAXNRQ-UHFFFAOYSA-N
-rxn:5:178295:225886:227094,COC(=O)C1(c2cc(-c3cnccc3C3CCCC3)ccc2-c2ccc3c(ccn3S(C)(=O)=O)c2)CCC(=O)CC1,ZVXLXPYGASPZFD-UHFFFAOYSA-N
-rxn:5:178295:225886:227746,COC(=O)C1(c2cc(-c3cccc(C(F)(F)F)c3F)ccc2-c2ccc3c(ccn3S(C)(=O)=O)c2)CCC(=O)CC1,YBSKQTZLJRKQMR-UHFFFAOYSA-N
-rxn:5:178295:226069:228257,COC(=O)C1(c2cc(-c3c(F)cc(C)cc3OC)ccc2-c2cccc(C3CCCCC3)c2)CCC(=O)CC1,VDTTVSJVOAQZOT-UHFFFAOYSA-N
-rxn:5:178295:226146:228181,COCc1cc(F)ccc1-c1ccc(-c2ccc(SC3CCCC3)cc2)c(C2(C(=O)OC)CCC(=O)CC2)c1,BTPUWWCMFTZRDN-UHFFFAOYSA-N
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-rxn:5:178295:226346:227818,CCC(C)c1cccc(-c2ccc(-c3cc(C)cc(OC(C)C)c3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,ZDBUQUNTJPWOBC-UHFFFAOYSA-N
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-rxn:5:178295:226761:227833,CCc1cc(C)cc(C)c1-c1ccc(-c2ccc(SC)cc2C(F)(F)F)c(C2(C(=O)OC)CCC(=O)CC2)c1,DZYWPZJYLLGRLN-UHFFFAOYSA-N
-rxn:5:178295:226761:228177,COCc1ccc(F)cc1-c1ccc(-c2ccc(SC)cc2C(F)(F)F)c(C2(C(=O)OC)CCC(=O)CC2)c1,PKILOZBDXGCCBZ-UHFFFAOYSA-N
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-rxn:5:178467:226414:223062,CCOC(=O)C1=Cc2cc(-c3cnc(C4CCNCC4)cc3F)cc(-c3ccc(C4=NCCCO4)cc3)c2OC1,ANGOEBCHCZZWMG-UHFFFAOYSA-N
-rxn:5:178467:226645:226959,CCOC(=O)C1=Cc2cc(-c3ccc4c(c3)CC(C)(C)O4)cc(-c3ccnc(N4CCOCC4)c3)c2OC1,GQXDRGLPACHYEA-UHFFFAOYSA-N
-rxn:5:178467:226663:225980,CCOC(=O)C1=Cc2cc(-c3cc(N4CCOCC4)ncc3F)cc(-c3ccc(N4CCSCC4)nc3)c2OC1,XJCANGSHRVFZPN-UHFFFAOYSA-N
-rxn:5:178467:226679:226371,CCOC(=O)C1=Cc2cc(-c3cnc(N4CCCC4)cc3C)cc(-c3cnc(N4CCCC4)cc3F)c2OC1,LPVAZCGJUPCIDK-UHFFFAOYSA-N
-rxn:5:178467:226679:227093,CCOC(=O)C1=Cc2cc(-c3cccnc3C3CCCC3)cc(-c3cnc(N4CCCC4)cc3F)c2OC1,HLMAIYPECSPDMQ-UHFFFAOYSA-N
-rxn:5:178467:226794:225976,CCOC(=O)C1=Cc2cc(-c3ccnc(N4CCOCC4)c3F)cc(-c3cnc(N4CCSCC4)nc3)c2OC1,GIJNFUDDDRBDMM-UHFFFAOYSA-N
-rxn:5:178467:227020:226440,CCOC(=O)C1=Cc2cc(-c3cc(F)nc(C4CCCC4)c3)cc(-c3cncc(C#CC4CC4)c3)c2OC1,NZVWDYJARNIQAI-UHFFFAOYSA-N
-rxn:5:178467:227065:223139,CCOC(=O)C1=Cc2cc(-c3ccc(C4CCNCC4)nc3)cc(-c3cccc(C(=O)C(C)C)c3)c2OC1,WTAHTBGCNGRUML-UHFFFAOYSA-N
-rxn:5:178467:227278:223142,CCOC(=O)C1=Cc2cc(-c3ccc(C4CCCNC4)nc3)cc(-c3ccc(C4(C#N)CC4)nc3)c2OC1,PFLJEIUCSPHRSU-UHFFFAOYSA-N
-rxn:5:178467:227298:223294,CCOC(=O)C1=Cc2cc(-c3csc(N4CCNCC4)n3)cc(-c3cc(F)ccc3CN(C)C)c2OC1,WQKYOSDKBDNCJG-UHFFFAOYSA-N
-rxn:5:178467:227319:223141,CCOC(=O)C1=Cc2cc(-c3cncc(C4CCNCC4)c3)cc(-c3cc(CC(C)C)ncc3F)c2OC1,XRNHVKOLMUBGSS-UHFFFAOYSA-N
-rxn:5:178467:227387:223064,CCOC(=O)C1=Cc2cc(-c3ccc(C4CCNCC4)nc3F)cc(-c3ccnc(N4CCCC4)c3)c2OC1,HVTCGHIKZYQOGR-UHFFFAOYSA-N
-rxn:5:178467:227387:226664,CCOC(=O)C1=Cc2cc(-c3cc(N4CCCC4)ncc3F)cc(-c3ccnc(N4CCCC4)c3)c2OC1,CBFXQLCADAASKB-UHFFFAOYSA-N
-rxn:5:178467:227501:223137,CCOC(=O)C1=Cc2cc(-c3cncc(C4CCCNC4)c3)cc(-c3ccc(C=C[N+](=O)[O-])cc3)c2OC1,LWYIKWCKWVFRNC-UHFFFAOYSA-N
-rxn:5:178467:227503:223136,CCOC(=O)C1=Cc2cc(-c3ccncc3C3CCCNC3)cc(-c3cc(OC(C)C)ncc3F)c2OC1,VWJLREXEFDMYDZ-UHFFFAOYSA-N
-rxn:5:178467:227503:223137,CCOC(=O)C1=Cc2cc(-c3cncc(C4CCCNC4)c3)cc(-c3cc(OC(C)C)ncc3F)c2OC1,AUVBLPKTVHROEE-UHFFFAOYSA-N
-rxn:5:178467:227515:223136,CCOC(=O)C1=Cc2cc(-c3ccncc3C3CCCNC3)cc(-c3cc(OC(C)C)cnc3F)c2OC1,VXUVXSFAEOSTEW-UHFFFAOYSA-N
-rxn:5:178467:227515:223140,CCOC(=O)C1=Cc2cc(-c3ccnc(C4CCCNC4)c3)cc(-c3cc(OC(C)C)cnc3F)c2OC1,HOLCOUXCVRGYNH-UHFFFAOYSA-N
-rxn:5:178467:227515:223141,CCOC(=O)C1=Cc2cc(-c3cncc(C4CCNCC4)c3)cc(-c3cc(OC(C)C)cnc3F)c2OC1,PDAJSVJENGXGIZ-UHFFFAOYSA-N
-rxn:5:178467:227520:223136,CCOC(=O)C1=Cc2cc(-c3ccncc3C3CCCNC3)cc(-c3cnc(OC(C)C)cc3F)c2OC1,HEVGAQQBWNBRFP-UHFFFAOYSA-N
-rxn:5:178467:227703:223134,CCOC(=O)C1=Cc2cc(-c3cnccc3C3CCCNC3)cc(-c3cnc(F)c(C(=O)OC)c3)c2OC1,VRESCDVYGYSPQI-UHFFFAOYSA-N
-rxn:5:178467:227964:223063,CCOC(=O)C1=Cc2cc(-c3cc(F)nc(C4CCNCC4)c3)cc(-c3cncc(C4(C)CC4)c3)c2OC1,JKFCQDYYCFHGBU-UHFFFAOYSA-N
-rxn:5:178467:227968:223064,CCOC(=O)C1=Cc2cc(-c3ccc(C4CCNCC4)nc3F)cc(-c3cnccc3C3CCC3)c2OC1,YIVATXOLVUUKKT-UHFFFAOYSA-N
-rxn:5:178467:228197:225833,CCOC(=O)C1=Cc2cc(-c3ccnc(N4CCCCC4)c3F)cc(-c3cnc(C(C)(C)C)nc3)c2OC1,ZASMGNPWIKPSLG-UHFFFAOYSA-N
-rxn:5:178467:228317:223063,CCOC(=O)C1=Cc2cc(-c3cc(F)nc(C4CCNCC4)c3)cc(-c3ccc(C(=O)OC)nc3)c2OC1,QZACEQCHCJJQIL-UHFFFAOYSA-N
-rxn:5:179417:225805:222959,CCS(=O)(=O)c1ccc(-c2ccc(C(C)N3CCOCC3)s2)c(-c2ccc(C3CCNCC3)c(C)c2)c1,IKNURZPPFBFMDP-UHFFFAOYSA-N
-rxn:5:179418:225587:223054,CC(c1ccc(-c2ccc(CS(C)(=O)=O)cc2-c2cccc(CN3CCOCC3)c2)s1)N1CCC(O)C1,JVKQYKKTIIIYGU-UHFFFAOYSA-N
-rxn:5:179418:225683:225805,Cc1nc(C2CCCOC2)ccc1-c1cc(CS(C)(=O)=O)ccc1-c1ccc(C(C)N2CCOCC2)s1,TZPLRTNRWDWDCH-UHFFFAOYSA-N
-rxn:5:179418:226662:225805,CC(c1ccc(-c2ccc(CS(C)(=O)=O)cc2-c2ccc(N3CCN(C)CC3)s2)s1)N1CCOCC1,VCUOJXGKJPCKIB-UHFFFAOYSA-N
-rxn:5:180022:225986:227404,COc1c(-c2cc(N3CCCCC3)cs2)ccc(-c2ccccc2N2CCCS2(=O)=O)c1C1OCCO1,HETLHSDPGBKOKG-UHFFFAOYSA-N
-rxn:5:180022:227449:225986,COc1c(-c2ccccc2N2CCCS2(=O)=O)ccc(-c2ccc(C3CCOCC3)s2)c1C1OCCO1,UZLHLAFGYXQYKY-UHFFFAOYSA-N
-rxn:5:180267:225930:225811,CSc1cc(C(C)(C)C)cc(-c2cc(C)ccc2S(=O)(=O)N(C)C)c1-c1ccc(C2(C(F)(F)F)CC2)cc1,NXPLDNGXNABMJT-UHFFFAOYSA-N
-rxn:5:180297:223007:227506,COc1cc(-c2cc(F)cc(C3CCNCC3)c2)c(C2(C)OCCO2)cc1-c1cccc(/C=C/[N+](=O)[O-])c1,XGLIFQOAXCLTAJ-DHZHZOJOSA-N
-rxn:5:180377:225464:225985,CC1CCCN(c2cccc(-c3c(C(C)C)cc(-c4cccc(N5CCCS5(=O)=O)c4)cc3C(C)C)c2)C1,LOPUHPMTRYOIGD-UHFFFAOYSA-N
-rxn:5:180377:226069:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(C(C)C)c(-c2cccc(C3CCCCC3)c2)c(C(C)C)c1,VWFAVLPESXDMTE-UHFFFAOYSA-N
-rxn:5:180402:225499:227561,COc1cc(F)c(-c2cc(-c3ccc(C4CCCCC4)cc3F)ccc2C(=O)C2CCCCC2)cc1OC,IJJNWMGZTLJNBC-UHFFFAOYSA-N
-rxn:5:180662:225784:225980,COC(=O)C1=Cc2cc(-c3cc(N4CCOCC4)ncc3F)cc(-c3ccc(CN4CCOCC4)nc3)c2OC1,AHPCUWZEURJOLI-UHFFFAOYSA-N
-rxn:5:180662:225784:225982,COC(=O)C1=Cc2cc(-c3cnc(N4CCOCC4)cc3F)cc(-c3ccc(CN4CCOCC4)nc3)c2OC1,LNYNNMFDSZZSSN-UHFFFAOYSA-N
-rxn:5:180662:225879:226794,COC(=O)C1=Cc2cc(-c3cnc(N4CCSCC4)nc3)cc(-c3ccc(N4CCOCC4)cc3F)c2OC1,NYKBGURMJUTMAE-UHFFFAOYSA-N
-rxn:5:181628:225438:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2ccc(C(C)N3CCCC3)cc2)cc1C1OCCO1,ILXLLFNEVKZBNQ-UHFFFAOYSA-N
-rxn:5:181628:225976:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2ccnc(N3CCOCC3)c2F)cc1C1OCCO1,SYEDDWQBXSTYOB-UHFFFAOYSA-N
-rxn:5:181904:225514:225638,Cc1c(C2OCCO2)ccc(-c2cccc3c2OCC2(CC2)CO3)c1-c1ccc(N2CCC(C)CC2)nc1,QSWASDWSYQOJEY-UHFFFAOYSA-N
-rxn:5:181905:223007:226428,Cc1ccc(-c2cc(N3CCCCC3C)cs2)c(C2OCCO2)c1-c1cc(F)cc(C2CCNCC2)c1,WZLQJGVCIOIGKI-UHFFFAOYSA-N
-rxn:5:181906:222981:225636,Cc1ccc(-c2ccnc(NC3CCCCC3)c2)c(C2OCCO2)c1-c1ccnc(N2CCC(C)CC2)c1,STTVDQXWFNDOAK-UHFFFAOYSA-N
-rxn:5:181906:225407:225639,Cc1ccc(-c2ccc(C3CCCCCC3)cc2)c(C2OCCO2)c1-c1cccnc1N1CCC(C)CC1,KBLPBDAKCDBPKI-UHFFFAOYSA-N
-rxn:5:181906:225607:226414,Cc1ccc(-c2ccc(C(C)N3CCCCC3)s2)c(C2OCCO2)c1-c1ccc(C2=NCCCO2)cc1,PBSVUMLTRHTHDJ-UHFFFAOYSA-N
-rxn:5:181906:225832:226364,Cc1ccc(-c2c(C)nn(C3CCCCO3)c2C)c(C2OCCO2)c1-c1ccc(N2CCCCC2)nc1,VIZINDGGNAZCLC-UHFFFAOYSA-N
-rxn:5:181907:222958:225638,Cc1cc(-c2ccc(C)c(C3CCNCC3)c2)c(-c2ccc(N3CCC(C)CC3)nc2)c(C2OCCO2)c1,RUCKBPCJRWXZHE-UHFFFAOYSA-N
-rxn:5:181907:222981:225655,Cc1cc(-c2ccnc(NC3CCCCC3)c2)c(-c2cncc(N3CCC(C)CC3)c2)c(C2OCCO2)c1,UGAHPIZLIHDVQO-UHFFFAOYSA-N
-rxn:5:181907:222996:225831,Cc1cc(-c2ccc(F)cc2C2CCCNC2)c(-c2cnc(N3CCOCC3)c(C)c2)c(C2OCCO2)c1,KROHSSPHOXVVBE-UHFFFAOYSA-N
-rxn:5:181907:225633:225470,Cc1cc(-c2ccc(N3CCCCCC3)nc2)c(-c2ccc(N3CCC(C)CC3)cc2)c(C2OCCO2)c1,DBJJZYQFGLIWJJ-UHFFFAOYSA-N
-rxn:5:181907:225639:225470,Cc1cc(-c2cccnc2N2CCC(C)CC2)c(-c2ccc(N3CCC(C)CC3)cc2)c(C2OCCO2)c1,STFHXSWCPARWLP-UHFFFAOYSA-N
-rxn:5:181908:222958:225451,Cc1ccc(-c2cc(C)c(C3OCCO3)cc2-c2ccc(SC3CCCCC3)cc2)cc1C1CCNCC1,JNXGSVFNDVEPMV-UHFFFAOYSA-N
-rxn:5:181908:223147:225607,Cc1cc(-c2ccc(C3CNCCO3)cc2)c(-c2ccc(C(C)N3CCCCC3)s2)cc1C1OCCO1,NRXFYNIJASXISB-UHFFFAOYSA-N
-rxn:5:181908:225466:225407,Cc1cc(-c2ccc(N3CCCCC3C)cc2)c(-c2ccc(C3CCCCCC3)cc2)cc1C1OCCO1,AIJBPUYLRUJFFH-UHFFFAOYSA-N
-rxn:5:181908:225472:222960,Cc1cc(-c2cc(C3OCCO3)c(C)cc2-c2cccc(N3CCCCC3C)c2)cc(C2CCNCC2)c1,VJXNQYCIDACZEK-UHFFFAOYSA-N
-rxn:5:181908:226179:225607,Cc1cc(-c2cncc(C3CCCCC3)c2)c(-c2ccc(C(C)N3CCCCC3)s2)cc1C1OCCO1,VNPWCCIJPYWVRH-UHFFFAOYSA-N
-rxn:5:181908:226425:225656,Cc1cc(-c2ccc(N3CCCCC3C)s2)c(-c2cncc(N3CCCCC3C)c2)cc1C1OCCO1,DZXOAOJOOIXTPI-UHFFFAOYSA-N
-rxn:5:181908:226665:225832,Cc1cc(-c2cnc(C3CCCOC3)nc2)c(-c2c(C)nn(C3CCCCO3)c2C)cc1C1OCCO1,WAQLZXIUOYLICG-UHFFFAOYSA-N
-rxn:5:182009:222994:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(-c2cccc(N3CCC(O)CC3)c2)c(C2CCOCC2)c1,BDYIZWAWPQEVOI-UHFFFAOYSA-N
-rxn:5:182010:222960:225638,Cc1cc(-c2cc(-c3ccc(N4CCC(C)CC4)nc3)ccc2C2CCOCC2)cc(C2CCNCC2)c1,DIYOWFTYGGQGLG-UHFFFAOYSA-N
-rxn:5:182010:223007:226652,Cc1cc(-c2ccc(C3CCOCC3)c(-c3cc(F)cc(C4CCNCC4)c3)c2)n(C2CCCCO2)n1,KTRIJDPCNKVARY-UHFFFAOYSA-N
-rxn:5:182010:226414:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(C2CCOCC2)c(-c2ccc(C3=NCCCO3)cc2)c1,CPLYMYIAORQNRT-UHFFFAOYSA-N
-rxn:5:182010:226686:225655,Cc1cnn(C2CCCCO2)c1-c1cc(-c2cncc(N3CCC(C)CC3)c2)ccc1C1CCOCC1,PXQPVEVBTIDLLS-UHFFFAOYSA-N
-rxn:5:182011:222957:226686,Cc1cc(-c2ccc(C3CCOCC3)cc2-c2c(C)cnn2C2CCCCO2)cc(C2CCCNC2)c1,XCNVOLJGRAAJBT-UHFFFAOYSA-N
-rxn:5:182012:225832:226179,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2cncc(C3CCCCC3)c2)c(C2CCCOC2)c1,JOYUCKJDPIVTOQ-UHFFFAOYSA-N
-rxn:5:182012:226197:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2ccc(C3CCCOC3)cc2)cc1C1CCCOC1,AYJPIICQGNBOSI-UHFFFAOYSA-N
-rxn:5:182013:222959:226330,Cc1cc(-c2ccc(-c3ccc(C(C)N4CCCC4)s3)c(C3CCOCC3)c2)ccc1C1CCNCC1,ADRGXLDNSRQGMJ-UHFFFAOYSA-N
-rxn:5:182013:225472:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(-c2cccc(N3CCCCC3C)c2)cc1C1CCOCC1,PLWGOMKPGKWIHX-UHFFFAOYSA-N
-rxn:5:183228:225438:226686,Cc1cnn(C2CCCCO2)c1-c1cc(-c2ccc(C(C)N3CCCC3)cc2)cc2c1OC(C)(C)CC2,AOVBIQVPKIPGMU-UHFFFAOYSA-N
-rxn:5:188253:226837:225870,COC(=O)c1cc(C#N)cc(-c2c(C)nn(CC(F)(F)F)c2C)c1-c1cc(F)cc(N2CCOCC2)c1,PRPUFDPRKYHEMC-UHFFFAOYSA-N
-rxn:5:188868:223061:226661,CC(C)OC(=O)c1ccnc(-c2cc(N3CCN(C)CC3)cs2)c1-c1cc(C2CCNCC2)ncc1F,GCYUHGZMAUUOIS-UHFFFAOYSA-N
-rxn:5:188868:223061:226662,CC(C)OC(=O)c1ccnc(-c2ccc(N3CCN(C)CC3)s2)c1-c1cc(C2CCNCC2)ncc1F,DZHWHEHTTJZVKR-UHFFFAOYSA-N
-rxn:5:188868:223062:226661,CC(C)OC(=O)c1ccnc(-c2cc(N3CCN(C)CC3)cs2)c1-c1cnc(C2CCNCC2)cc1F,YAMYOSPZQMHBTL-UHFFFAOYSA-N
-rxn:5:188868:223062:226662,CC(C)OC(=O)c1ccnc(-c2ccc(N3CCN(C)CC3)s2)c1-c1cnc(C2CCNCC2)cc1F,QOJIBIMZMKIOSQ-UHFFFAOYSA-N
-rxn:5:188868:225834:226661,CC(C)OC(=O)c1ccnc(-c2cc(N3CCN(C)CC3)cs2)c1-c1cc(N2CCCCC2)ncc1F,BNRLYADQPARVGW-UHFFFAOYSA-N
-rxn:5:188932:223231:225881,CNC(=O)c1ccc(-c2cc(C(=O)OC)cc(-c3ccc(C4CCOCC4)nc3F)c2S(N)(=O)=O)cc1C,YQWYJPNDEKZPED-UHFFFAOYSA-N
-rxn:5:189001:223132:225982,COC(=O)C1(c2nc(-c3cnc(N4CCOCC4)cc3F)ccc2-c2cccc(N3CCNCC3)c2)CC1,RGOWIGDAAGGWFM-UHFFFAOYSA-N
-rxn:5:189001:223133:225980,COC(=O)C1(c2nc(-c3cc(N4CCOCC4)ncc3F)ccc2-c2ccccc2N2CCNCC2)CC1,KRPSBTRWBHYNOO-UHFFFAOYSA-N
-rxn:5:189208:226968:225804,CC1(C)Cc2ccc(-c3ccc(C(=O)ON4C(=O)CCC4=O)c(-c4ccc(C(=O)N5CCC5)c(F)c4)c3)cc2O1,DKSMOJBSRQWQFR-UHFFFAOYSA-N
-rxn:5:189209:226049:225884,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccc(C3COCCO3)c(F)c2)cc(-c2cc(F)c(OC(F)(F)F)c(F)c2)c1,JZHVUCZGYBGASV-UHFFFAOYSA-N
-rxn:5:189209:226923:227419,Cc1cc(C2CC2)c(C)cc1-c1cc(C(=O)ON2C(=O)CCC2=O)cc(-c2ccc(C3CCC3)nc2F)c1,HHFQBQCRSRXITD-UHFFFAOYSA-N
-rxn:5:189209:227978:226033,COc1cc(-c2cc(C(=O)ON3C(=O)CCC3=O)cc(-c3cc(C(C)C)ccc3F)c2)cc(C(F)(F)F)c1F,YHQHQSIQAPIEAQ-UHFFFAOYSA-N
-rxn:5:189211:227390:227319,CC(C)Cc1cc(-c2c(C(=O)ON3C(=O)CCC3=O)cccc2-c2ccnn2C2CCCCC2)c(F)cn1,CCJCDLSIYXRXMP-UHFFFAOYSA-N
-rxn:5:189212:225654:227120,CC1CCCN(c2ccc(-c3cc(C(=O)ON4C(=O)CCC4=O)ccc3-c3ccc(C4CCC4)cc3F)cn2)C1,FNYATXOLWUTUDT-UHFFFAOYSA-N
-rxn:5:189319:225439:223143,CC(c1cccc(-c2ccc(-c3cccc(N4CCC(O)C4)c3)nc2C(=O)OC(C)(C)C)c1)N1CCCC1,BBTZDMJPENTSNF-UHFFFAOYSA-N
-rxn:5:189319:226794:225454,CN1CC=C(c2ccc(-c3ccc(-c4cnc(N5CCSCC5)nc4)c(C(=O)OC(C)(C)C)n3)cc2)CC1,ZIIVELVSUBNVPF-UHFFFAOYSA-N
-rxn:5:189320:223062:226414,CC(C)(C)OC(=O)c1cnc(-c2ccc(C3=NCCCO3)cc2)c(-c2cnc(C3CCNCC3)cc2F)c1,AHGDCETXFXBDMX-UHFFFAOYSA-N
-rxn:5:189320:225938:226891,CC(C)(C)OC(=O)c1cnc(-c2cc(C(F)(F)F)cc(F)c2F)c(-c2cc(C(F)(F)F)ncc2C2CC2)c1,KAOFJCWIWIJOGO-UHFFFAOYSA-N
-rxn:5:189320:225976:223133,CC(C)(C)OC(=O)c1cnc(-c2ccccc2N2CCNCC2)c(-c2ccnc(N3CCOCC3)c2F)c1,LJUHYANTMWGXCL-UHFFFAOYSA-N
-rxn:5:189321:225598:225639,CC1CCN(c2ncccc2-c2ccc(-c3cccc(CN4CCSCC4)c3)nc2C(=O)OC(C)(C)C)CC1,QTVVQSFKRSSHMY-UHFFFAOYSA-N
-rxn:5:189322:226794:225868,CC(C)(C)OC(=O)c1cc(-c2cnc(N3CCSCC3)nc2)cnc1-c1ccc(N2CCOCC2)c(F)c1,YRAUDTSIYNUCBF-UHFFFAOYSA-N
-rxn:5:189323:226794:225868,CC(C)(C)OC(=O)c1cc(-c2ccc(N3CCOCC3)c(F)c2)ncc1-c1cnc(N2CCSCC2)nc1,OBQFOUUWYMYRAF-UHFFFAOYSA-N
-rxn:5:189448:225976:226679,COC1CN(C(=O)c2ccc(-c3ccnc(N4CCOCC4)c3F)c(-c3cnc(N4CCCC4)cc3F)c2)C1,REWLQBNFVCICRM-UHFFFAOYSA-N
-rxn:5:189448:225982:226664,COC1CN(C(=O)c2ccc(-c3cnc(N4CCOCC4)cc3F)c(-c3cc(N4CCCC4)ncc3F)c2)C1,YRMGHOYKQRPKRD-UHFFFAOYSA-N
-rxn:5:189448:225982:226679,COC1CN(C(=O)c2ccc(-c3cnc(N4CCOCC4)cc3F)c(-c3cnc(N4CCCC4)cc3F)c2)C1,UYHUFXNOWUFWIT-UHFFFAOYSA-N
-rxn:5:189448:226794:225849,COC1CN(C(=O)c2ccc(-c3cnc(N4CCSCC4)nc3)c(-c3cnc(N4CCCCC4)cc3F)c2)C1,YTUBBCUTJHVSLG-UHFFFAOYSA-N
-rxn:5:189448:226794:226664,COC1CN(C(=O)c2ccc(-c3cnc(N4CCSCC4)nc3)c(-c3cc(N4CCCC4)ncc3F)c2)C1,VVPILGPBAJQIIG-UHFFFAOYSA-N
-rxn:5:189448:226794:226679,COC1CN(C(=O)c2ccc(-c3cnc(N4CCSCC4)nc3)c(-c3cnc(N4CCCC4)cc3F)c2)C1,LIQYHXBXEZPCPO-UHFFFAOYSA-N
-rxn:5:189666:227715:226026,CN(C)S(=O)(=O)c1ccc(-c2ccc(/C=N/[S@](=O)C(C)(C)C)cc2-c2cc(F)cc(OC(F)F)c2)cc1F,AFDJOYVJRSAFGT-CJYMOQPQSA-N
-rxn:5:189667:225407:227077,CCC(C)c1ccc(-c2cc(/C=N/[S@@](=O)C(C)(C)C)cc(-c3ccc(C4CCCCCC4)cc3)c2)c(F)c1,ZVWPPLNFADLMLO-USEQZEIXSA-N
-rxn:5:189668:225437:227052,CC(C)(C)Sc1ccc(-c2ccc(CC(=O)N3CCCC3)c(-c3cccc(CN4CCCCC4)c3)c2)cc1,KVZHZGVMMLWHQT-UHFFFAOYSA-N
-rxn:5:189671:225407:227124,CC(C)(C)c1ccc(-c2cccc(-c3ccc(C4CCCCCC4)cc3)c2/C=N/S(=O)C(C)(C)C)c(F)c1,WQNWYUQHILWDAW-GOJREDGKSA-N
-rxn:5:189673:225407:223285,CC(C)(C)S(=O)/N=C/c1ccc(-c2ccc(C3CCCCCC3)cc2)cc1-c1ccccc1NS(C)(=O)=O,IKAJZUPGGSWQMU-WEMUVCOSSA-N
-rxn:5:189673:226069:226067,CC(C)(C)S(=O)/N=C/c1ccc(-c2cccc(C3CCCCC3)c2)cc1-c1ccc(C2=CCCCC2)cc1,ONGLFNLTZLGQCD-YRRMYEEHSA-N
-rxn:5:189676:226849:226837,COc1nccc(-c2cc(CC(=O)N3CCCC3)ccc2-c2c(C)nn(CC(F)(F)F)c2C)c1C(F)(F)F,UWMORUUMBPBMPE-UHFFFAOYSA-N
-rxn:5:189676:227045:225435,CC(C)(C)Sc1cccc(-c2cc(CC(=O)N3CCCC3)ccc2-c2ccccc2CN2CCCCC2)c1,RWMGQILJCJIHQN-UHFFFAOYSA-N
-rxn:5:189676:227490:225982,CC(C)(C)Oc1ncc(-c2cc(CC(=O)N3CCCC3)ccc2-c2cnc(N3CCOCC3)cc2F)cn1,BLFIHWGPMYIICY-UHFFFAOYSA-N
-rxn:5:189826:227906:223062,CCC(C)c1ncccc1-c1cc(-c2cnc(C3CCNCC3)cc2F)ccc1CC(=O)N1CCOCC1,RHDUDOFBPMUNOG-UHFFFAOYSA-N
-rxn:5:189826:227906:223063,CCC(C)c1ncccc1-c1cc(-c2cc(F)nc(C3CCNCC3)c2)ccc1CC(=O)N1CCOCC1,FGFZHRBRTVYTDJ-UHFFFAOYSA-N
-rxn:5:189826:228567:223062,CCC(C)c1sccc1-c1cc(-c2cnc(C3CCNCC3)cc2F)ccc1CC(=O)N1CCOCC1,XYPNERRSOBJJBT-UHFFFAOYSA-N
-rxn:5:189827:227906:223063,CCC(C)c1ncccc1-c1cc(CC(=O)N2CCOCC2)ccc1-c1cc(F)nc(C2CCNCC2)c1,LAYWPRQMRYQRSS-UHFFFAOYSA-N
-rxn:5:189829:225453:227979,COc1cc(C)cc(C)c1-c1cc(C(=O)N2CCCC2)cc(-c2cccc(SC3CCCCC3)c2)c1OC,ZNKNCZOVQLQUSV-UHFFFAOYSA-N
-rxn:5:189909:225849:225976,Fc1cc(N2CCCCC2)ncc1-c1ccc(-c2ccnc(N3CCOCC3)c2F)cc1CCN1CCOCC1,YXGLIXICQUDOJY-UHFFFAOYSA-N
-rxn:5:189910:226134:226351,Cc1cc(-c2ccc(-c3cc(C#N)cc(C4CC4)c3C)cc2CCN2CCOCC2)cc(OC(C)C)c1F,FZCVMPWQLHNHLF-UHFFFAOYSA-N
-rxn:5:189952:223006:223113,COc1c(-c2ccc(F)c(C3CCNCC3)c2)cc(C(=O)N2CCOCC2)cc1-c1ccc2c(c1)C(C)(C)C(=O)N2,DBSZZERNWUFOGY-UHFFFAOYSA-N
-rxn:5:189952:226366:226679,COc1c(-c2ccnc(N3CCCCC3)c2)cc(C(=O)N2CCOCC2)cc1-c1cnc(N2CCCC2)cc1F,UZWWLCZNYYIJFX-UHFFFAOYSA-N
-rxn:5:190000:227052:226179,CC(C)(C)Sc1ccc(-c2cc(-c3cncc(C4CCCCC4)c3)ccc2CC(=O)N2CCCCC2)cc1,QMLNGMANMQBWTG-UHFFFAOYSA-N
-rxn:5:190001:225407:227018,CC(C)(C#N)c1ccc(-c2ccc(CC(=O)N3CCCCC3)cc2-c2ccc(C3CCCCCC3)cc2)cc1,IZCSMROCSFTYLG-UHFFFAOYSA-N
-rxn:5:190001:227052:225439,CC(c1cccc(-c2ccc(CC(=O)N3CCCCC3)cc2-c2ccc(SC(C)(C)C)cc2)c1)N1CCCC1,TXNOFUCZLPGWSX-UHFFFAOYSA-N
-rxn:5:190001:228005:225407,CSc1cc(C)c(-c2cc(CC(=O)N3CCCCC3)ccc2-c2ccc(C3CCCCCC3)cc2)cc1C,SDOVLRBYVVRKOE-UHFFFAOYSA-N
-rxn:5:190127:223294:227906,CCC(C)c1ncccc1-c1ccc(-c2csc(N3CCNCC3)n2)cc1C(=O)N1CCC(OC)CC1,IWMHQRLLDNAKPH-UHFFFAOYSA-N
-rxn:5:190127:225453:228184,COc1ccc(-c2ccc(-c3cccc(SC4CCCCC4)c3)cc2C(=O)N2CCC(OC)CC2)cc1SC,VQZZKYMFSHDUFC-UHFFFAOYSA-N
-rxn:5:190127:226069:228148,COc1cccc(-c2ccc(-c3cccc(C4CCCCC4)c3)cc2C(=O)N2CCC(OC)CC2)c1OC,CFQIDQSZDMWTCM-UHFFFAOYSA-N
-rxn:5:190127:226146:227935,CCc1cc(-c2ccc(-c3ccc(SC4CCCC4)cc3)cc2C(=O)N2CCC(OC)CC2)ccc1OC,XOIGFEKDUGQFPI-UHFFFAOYSA-N
-rxn:5:190127:226191:228154,COc1cccc(OC)c1-c1ccc(-c2cc(C3CCCC3)ccc2F)cc1C(=O)N1CCC(OC)CC1,BVENWEAOEUEMGY-UHFFFAOYSA-N
-rxn:5:190127:227047:227054,COc1cc(-c2ccc(-c3cccc(SC4CCC4)c3)cc2C(=O)N2CCC(OC)CC2)ccc1C1CC1,ARHLHWOXVLMMHS-UHFFFAOYSA-N
-rxn:5:190128:223054:229070,COc1ccc(-c2cc(C(=O)N3CCC(OC)CC3)ccc2-c2ccc(C(C)N3CCC(O)C3)s2)cn1,LJWKJKGVMCYZAA-UHFFFAOYSA-N
-rxn:5:190128:223112:225849,COC1CCN(C(=O)c2ccc(-c3c(C(C)C)ccc4[nH]ncc34)c(-c3cnc(N4CCCCC4)cc3F)c2)CC1,NLTHXPOZZKWYJZ-UHFFFAOYSA-N
-rxn:5:190128:223112:225980,COC1CCN(C(=O)c2ccc(-c3c(C(C)C)ccc4[nH]ncc34)c(-c3cc(N4CCOCC4)ncc3F)c2)CC1,RNWZDNGKMHISGH-UHFFFAOYSA-N
-rxn:5:190132:225498:228157,COc1ccc(-c2cc(-c3cc(C4CCCCC4)ccc3F)ccc2C(=O)N2CCC(OC)CC2)c(OC)c1,PAFYDLMMUMIPLA-UHFFFAOYSA-N
-rxn:5:190194:225394:225886,COC1CCN(Cc2cccc(-c3cc(C4CCC4)cc(C4CC4)c3)c2-c2ccc3c(ccn3S(C)(=O)=O)c2)CC1,VPUDBRLPYMRLBO-UHFFFAOYSA-N
-rxn:5:190194:225805:223111,COC1CCN(Cc2cccc(-c3ccc(C(C)N4CCOCC4)s3)c2-c2cccc3[nH]nc(C(C)C)c23)CC1,LSHSLFQQKSKORE-UHFFFAOYSA-N
-rxn:5:190194:227568:226067,COc1cc(F)c(-c2cccc(CN3CCC(OC)CC3)c2-c2ccc(C3=CCCCC3)cc2)c(OC)c1,MWZCTFKVFCKLFH-UHFFFAOYSA-N
-rxn:5:190194:227587:226064,COc1cc(-c2cccc(CN3CCC(OC)CC3)c2-c2ccc(C3CCCCC3)cc2)cc(F)c1OC,GBUUWUQZZJXLPG-UHFFFAOYSA-N
-rxn:5:190195:227379:225833,CN(Cc1ccc(-c2cccnc2N2CCCC2)c(-c2ccnc(N3CCCCC3)c2F)c1)C1CCOCC1,NQLIJMSYSNNHLF-UHFFFAOYSA-N
-rxn:5:190196:225924:227044,Cc1cc(S(=O)(=O)N(C)C)ccc1-c1ccc(CN(C)C2CCOCC2)c(-c2ccc(C(=O)C3CC3)cc2)c1,RRAXUEBVNRRHGP-UHFFFAOYSA-N
-rxn:5:190197:227684:223113,CN(Cc1ccc(-c2ccc3c(c2)C(C)(C)C(=O)N3)cc1-c1cnn(CC2OCCO2)c1)C1CCOCC1,UZEPGKFCSZEVDP-UHFFFAOYSA-N
-rxn:5:190199:226583:222417,CC(C)c1[nH]c(=O)ncc1-c1ccc(-c2ccc(CN3CCOCC3)s2)c(CN(C)C2CCOCC2)c1,XGGFAQWXAIXHJO-UHFFFAOYSA-N
-rxn:5:190200:225440:225886,CN(Cc1cc(-c2ccc(C3(C#N)CCCC3)cc2)cc(-c2ccc3c(ccn3S(C)(=O)=O)c2)c1)C1CCOCC1,WGXIAHXRGWINGP-UHFFFAOYSA-N
-rxn:5:190200:225936:227833,CCc1cc(C)cc(C)c1-c1cc(CN(C)C2CCOCC2)cc(-c2cc(C(F)(F)F)cnc2C(C)C)c1,YSJLKBZGKVSCLO-UHFFFAOYSA-N
-rxn:5:190231:225656:226644,COc1c(-c2cncc(N3CCOCC3)c2)cc(C(=O)N2CCOC(C)C2)cc1-c1cncc(N2CCCCC2C)c1,DDJXXWHUGKFIBZ-UHFFFAOYSA-N
-rxn:5:190264:228003:226069,CSc1cc(C)c(-c2cc(CC(=O)N3CCC(C)CC3)ccc2-c2cccc(C3CCCCC3)c2)c(C)c1,RSZUZSIEJNLNGT-UHFFFAOYSA-N
-rxn:5:190265:223138:227906,CCC(C)c1ncccc1-c1ccc(CC(=O)N2CCCC(C)C2)cc1-c1ccnc(C2CCNCC2)c1,MSZZZYKNKAURKP-UHFFFAOYSA-N
-rxn:5:190265:223138:228562,CCC(C)c1csc(-c2ccc(CC(=O)N3CCCC(C)C3)cc2-c2ccnc(C3CCNCC3)c2)c1,VRJJZPDRWYYEND-UHFFFAOYSA-N
-rxn:5:190265:223138:228567,CCC(C)c1sccc1-c1ccc(CC(=O)N2CCCC(C)C2)cc1-c1ccnc(C2CCNCC2)c1,ULMMTGAVTQMHQL-UHFFFAOYSA-N
-rxn:5:190265:223140:228562,CCC(C)c1csc(-c2ccc(CC(=O)N3CCCC(C)C3)cc2-c2ccnc(C3CCCNC3)c2)c1,ZVCYTQKGDZZIOY-UHFFFAOYSA-N
-rxn:5:190265:223140:228567,CCC(C)c1sccc1-c1ccc(CC(=O)N2CCCC(C)C2)cc1-c1ccnc(C2CCCNC2)c1,QHNREEMNMPBZDM-UHFFFAOYSA-N
-rxn:5:190265:225451:228615,CSc1ccc(C)cc1-c1ccc(CC(=O)N2CCCC(C)C2)cc1-c1ccc(SC2CCCCC2)cc1,ZJHHGNDXNUPFKA-UHFFFAOYSA-N
-rxn:5:190265:227045:223288,CNS(=O)(=O)c1cccc(-c2ccc(CC(=O)N3CCCC(C)C3)cc2-c2cccc(SC(C)(C)C)c2)c1,AJXHGYBKBVSUHB-UHFFFAOYSA-N
-rxn:5:190265:228562:223138,CCC(C)c1csc(-c2cc(CC(=O)N3CCCC(C)C3)ccc2-c2ccnc(C3CCNCC3)c2)c1,GRJAESMPJNQNLW-UHFFFAOYSA-N
-rxn:5:190265:228562:223140,CCC(C)c1csc(-c2cc(CC(=O)N3CCCC(C)C3)ccc2-c2ccnc(C3CCCNC3)c2)c1,VAIWZPOBHOKBRG-UHFFFAOYSA-N
-rxn:5:190265:228567:223138,CCC(C)c1sccc1-c1cc(CC(=O)N2CCCC(C)C2)ccc1-c1ccnc(C2CCNCC2)c1,CMHXZMAGMNLEAP-UHFFFAOYSA-N
-rxn:5:190265:228567:223140,CCC(C)c1sccc1-c1cc(CC(=O)N2CCCC(C)C2)ccc1-c1ccnc(C2CCCNC2)c1,CMOZLYVMFNDLJU-UHFFFAOYSA-N
-rxn:5:190307:225886:225451,CC1CCN(CCc2cc(-c3ccc4c(ccn4S(C)(=O)=O)c3)ccc2-c2ccc(SC3CCCCC3)cc2)CC1,NWRZJVUZEGDGCO-UHFFFAOYSA-N
-rxn:5:190308:227769:226759,COc1cc(-c2ccc(-c3cc([N+](=O)[O-])cnc3OC)cc2CCN2CCCC(C)C2)cc(C(F)(F)F)c1,GIPARPRGNWOQJC-UHFFFAOYSA-N
-rxn:5:190335:226189:227922,CCc1cc(OC)ccc1-c1cc(C(=O)N2CCCCC2C)cc(-c2ccc(C3CCCC3)c(F)c2)c1OC,ZHUKVNNPUSTVRK-UHFFFAOYSA-N
-rxn:5:190335:226919:227922,CCc1cc(OC)ccc1-c1cc(C(=O)N2CCCCC2C)cc(-c2cccc(C3CCCC3)c2)c1OC,JPEQJSGBNRNWAC-UHFFFAOYSA-N
-rxn:5:190336:227045:227906,CCC(C)c1ncccc1-c1cc(C(=O)N2CCCC(C)C2)cc(-c2cccc(SC(C)(C)C)c2)c1OC,LYLYSHOWDVCAPY-UHFFFAOYSA-N
-rxn:5:190337:223294:228699,COc1c(-c2cncc(N(C)C)c2)cc(C(=O)N2CCC(C)CC2)cc1-c1csc(N2CCNCC2)n1,LTKSVLDPNOUZKB-UHFFFAOYSA-N
-rxn:5:190337:226762:228454,COc1cc(-c2cc(C(=O)N3CCC(C)CC3)cc(-c3cc(SC)cc(C(F)(F)F)c3)c2OC)c(OC)nn1,WTNSIKCPKDYQNH-UHFFFAOYSA-N
-rxn:5:190337:227047:227933,CCc1ccc(OC)cc1-c1cc(C(=O)N2CCC(C)CC2)cc(-c2cccc(SC3CCC3)c2)c1OC,JDDNNAJSEWIKIP-UHFFFAOYSA-N
-rxn:5:190337:228016:226084,COc1c(-c2ccc3c(c2)C(=O)CCCC3)cc(C(=O)N2CCC(C)CC2)cc1-c1cc(C2CCCC2)cs1,UNPSMJZJNKBTDF-UHFFFAOYSA-N
-rxn:5:190353:226452:223007,O=C(c1cc(-c2ccc(C3OCCCO3)cc2)ccc1-c1cc(F)cc(C2CCNCC2)c1)N1CCC(c2ccccc2)C1,TUUZUWPXBMXKHU-UHFFFAOYSA-N
-rxn:5:190418:225886:225453,Cc1cc(-c2cccc(SC3CCCCC3)c2)ccc1N1C(=O)CC(Cc2ccc(-c3ccc4c(ccn4S(C)(=O)=O)c3)cc2)C1=O,MGQLJWJYZYBEJQ-UHFFFAOYSA-N
-rxn:5:190484:225450:227094,O=C(c1ccc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4cnccc4C4CCCC4)S(=O)(=O)CC3)c2)cc1)C1CCCC1,NVFSCVZTFCQMSM-UHFFFAOYSA-N
-rxn:5:190484:226662:223147,CN1CCN(c2ccc(-c3cccc(C(=O)N4CCC(c5ccccc5-c5ccc(C6CNCCO6)cc5)S(=O)(=O)CC4)c3)s2)CC1,VJNUECCEJZJUMR-UHFFFAOYSA-N
-rxn:5:190484:227052:227970,CC(C)(C)Sc1ccc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4ccncc4C(C)(C)C)S(=O)(=O)CC3)c2)cc1,PHBANMTWSMLFJV-UHFFFAOYSA-N
-rxn:5:190484:227065:227089,CC(C)C(=O)c1cccc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4ccncc4C4CCCC4)S(=O)(=O)CC3)c2)c1,LHZLQMJNCHQRJI-UHFFFAOYSA-N
-rxn:5:190484:227076:226183,CCC(C)c1ccc(F)c(-c2cccc(C(=O)N3CCC(c4ccccc4-c4cnccc4C4CCCCC4)S(=O)(=O)CC3)c2)c1,QTDJAISRYIKMFA-UHFFFAOYSA-N
-rxn:5:190484:227505:223138,O=C(c1cccc(-c2ccc(/C=C/[N+](=O)[O-])cc2)c1)N1CCC(c2ccccc2-c2ccnc(C3CCNCC3)c2)S(=O)(=O)CC1,CNJDDEIGZBDIAF-RCCKNPSSSA-N
-rxn:5:190484:227926:223113,CC(C)Sc1ccc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4ccc5c(c4)C(C)(C)C(=O)N5)S(=O)(=O)CC3)c2)cc1,BZIITKWVUWNGFG-UHFFFAOYSA-N
-rxn:5:190484:228003:227065,CSc1cc(C)c(-c2cccc(C(=O)N3CCC(c4ccccc4-c4cccc(C(=O)C(C)C)c4)S(=O)(=O)CC3)c2)c(C)c1,MENRQLUUVLWMPQ-UHFFFAOYSA-N
-rxn:5:190484:228624:226179,CSc1cc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4cncc(C5CCCCC5)c4)S(=O)(=O)CC3)c2)ccc1C,DIOPIPVLVUSCOI-UHFFFAOYSA-N
-rxn:5:190484:228928:227103,O=C(c1cccc(-c2cccnc2C(F)F)c1)N1CCC(c2ccccc2-c2sccc2C2CCCCC2)S(=O)(=O)CC1,ASZUIEJBDYZFPJ-UHFFFAOYSA-N
-rxn:5:190532:225607:223007,CCOC(=O)c1sc2c(-c3ccc(C(C)N4CCCCC4)s3)nccc2c1-c1cc(F)cc(C2CCNCC2)c1,SJOMMWFUIPSRGW-UHFFFAOYSA-N
-rxn:5:190584:225805:223063,CCOC(=O)c1cc2c(-c3cc(F)nc(C4CCNCC4)c3)cc(-c3ccc(C(C)N4CCOCC4)s3)cc2[nH]1,ZMJVHFSOKNDICA-UHFFFAOYSA-N
-rxn:5:190585:223054:225834,CCOC(=O)c1[nH]c2cc(-c3cc(N4CCCCC4)ncc3F)ccc2c1-c1ccc(C(C)N2CCC(O)C2)s1,KCBCTHDIAXOADH-UHFFFAOYSA-N
-rxn:5:190585:225805:223062,CCOC(=O)c1[nH]c2cc(-c3cnc(C4CCNCC4)cc3F)ccc2c1-c1ccc(C(C)N2CCOCC2)s1,XBOUNZGXNJFFLF-UHFFFAOYSA-N
-rxn:5:190586:223063:223054,CCOC(=O)c1cc2c(-c3cc(F)nc(C4CCNCC4)c3)c(-c3ccc(C(C)N4CCC(O)C4)s3)ccc2[nH]1,YCZPIZKETIWGSY-UHFFFAOYSA-N
-rxn:5:190646:223061:225805,CCOC(=O)c1cnc2c(-c3cc(C4CCNCC4)ncc3F)cccc2c1-c1ccc(C(C)N2CCOCC2)s1,ZVYXGFHHGYBDDY-UHFFFAOYSA-N
-rxn:5:190648:223063:225607,CCOC(=O)c1c(-c2cc(F)nc(C3CCNCC3)c2)nc2ccccc2c1-c1ccc(C(C)N2CCCCC2)s1,CZZBJMDJPQOJKR-UHFFFAOYSA-N
-rxn:5:190650:223054:223064,CCOC(=O)c1cnc2ccc(-c3ccc(C4CCNCC4)nc3F)cc2c1-c1ccc(C(C)N2CCC(O)C2)s1,UVVXRDYAFDDSBA-UHFFFAOYSA-N
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-rxn:5:190744:225638:225834,CCOC(=O)c1cnc2c(-c3ccc(N4CCC(C)CC4)nc3)c(C)ccc2c1-c1cc(N2CCCCC2)ncc1F,GBDQGGGATZVCNF-UHFFFAOYSA-N
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-rxn:5:190744:225671:225833,CCOC(=O)c1cnc2c(-c3cc(C4CCCCC4)ncc3F)c(C)ccc2c1-c1ccnc(N2CCCCC2)c1F,FQCKOVFLTMWGLF-UHFFFAOYSA-N
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-rxn:5:190744:225834:225640,CCOC(=O)c1cnc2c(-c3cc(N4CCCCC4)ncc3F)c(C)ccc2c1-c1ccnc(N2CCCCC2C)c1,KGTMLPWFNLYRTK-UHFFFAOYSA-N
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-rxn:5:190833:226685:225831,Cc1cc(-c2ccc(-c3cnc(C4CCOCC4)nc3)c3c2CN(C(=O)OC(C)(C)C)C3=O)cnc1N1CCOCC1,KQMZPJAYVHNTMO-UHFFFAOYSA-N
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-rxn:5:190998:225834:226366,COC(=O)c1cc(-c2ccnc(N3CCCCC3)c2)ccc1N1Cc2cc(-c3cc(N4CCCCC4)ncc3F)ccc2OCC1=O,ZFIIERDEENRXKO-UHFFFAOYSA-N
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-rxn:5:191049:228630:225448,CCc1cc(F)cc(-c2ccc3c(c2)CN(c2cc(OC)c(-c4cc(C)ccc4OC4CCCC4)cc2OC)C(=O)CO3)c1,WYEDEAISQSCNSH-UHFFFAOYSA-N
-rxn:5:193155:225499:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2ccc(C3CCCCC3)cc2F)cc1CN1CCCC1,XMASFKSMAWPREU-UHFFFAOYSA-N
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-rxn:5:193226:226571:227316,CC(C)Cc1cc(-c2cc(C(=O)N3CCOCC3)ccc2-c2cnn(CC3CCOCC3)c2)cc(F)n1,HOVHKUKWDSWNQS-UHFFFAOYSA-N
-rxn:5:193226:227316:225655,CC(C)Cc1cc(-c2ccc(C(=O)N3CCOCC3)cc2-c2cncc(N3CCC(C)CC3)c2)cc(F)n1,YAXILCQBTOUZRT-UHFFFAOYSA-N
-rxn:5:193229:225449:227800,O=C(c1cccc(-c2cccc(OC3CCCCC3)c2)c1-c1cc(F)nc(C(F)(F)F)c1)N1CCOCC1,OGFARADYUVWDBD-UHFFFAOYSA-N
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-rxn:5:193382:222985:223063,Cc1nc(C2CCCNC2)ccc1-c1ccc(S(=O)(=O)N2CCOCC2)c(-c2cc(F)nc(C3CCNCC3)c2)c1,WHWQVJDGCWLSFQ-UHFFFAOYSA-N
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-rxn:5:193382:223002:227437,O=S(=O)(c1ccc(-c2ccc(C3CCNCC3)cc2F)cc1-c1ccnc(C2CCCO2)c1)N1CCOCC1,GXBIBWRDEFCRCW-UHFFFAOYSA-N
-rxn:5:193382:223056:223295,CS(=O)(=O)Nc1cncc(-c2cc(-c3ccc(N4CCC(O)CC4)nc3)ccc2S(=O)(=O)N2CCOCC2)c1,VRDYKFSKAPDSJR-UHFFFAOYSA-N
-rxn:5:193382:223064:223137,O=S(=O)(c1ccc(-c2ccc(C3CCNCC3)nc2F)cc1-c1cncc(C2CCCNC2)c1)N1CCOCC1,YYBQMZZUMOEAOI-UHFFFAOYSA-N
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-rxn:5:193382:225661:227432,Cc1cc(N2CCOCC2)ccc1-c1ccc(S(=O)(=O)N2CCOCC2)c(-c2ccc(C3COC3)nc2C)c1,FEVFCXMHVITJRI-UHFFFAOYSA-N
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-rxn:5:193382:225926:223135,O=S(=O)(c1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3cccnc3C3CCCNC3)c2)cc1)N1CCC1,MQHKZOGRCXKDDM-UHFFFAOYSA-N
-rxn:5:193382:226395:225655,CC1CCN(c2cncc(-c3cc(-c4cncc(N5CCCCC5)c4)ccc3S(=O)(=O)N3CCOCC3)c2)CC1,PIQDIJNYVGZGHW-UHFFFAOYSA-N
-rxn:5:193382:226413:223140,O=S(=O)(c1ccc(-c2cccc(N3CCOCC3)c2)cc1-c1ccnc(C2CCCNC2)c1)N1CCOCC1,NOEHHRJHOCKTQS-UHFFFAOYSA-N
-rxn:5:193382:226415:225874,O=S(=O)(c1ccc(-c2ccccc2N2CCOCC2)cc1-c1ccc(F)c(N2CCOCC2)c1)N1CCOCC1,LBYYCNHLBZAHJY-UHFFFAOYSA-N
-rxn:5:193382:226644:225978,O=S(=O)(c1ccc(-c2cncc(N3CCOCC3)c2)cc1-c1ccc(N2CCOCC2)nc1F)N1CCOCC1,OCFXGZMZISHICH-UHFFFAOYSA-N
-rxn:5:193382:226662:223148,CN1CCN(c2ccc(-c3ccc(S(=O)(=O)N4CCOCC4)c(-c4ccccc4C4CNCCO4)c3)s2)CC1,ATFQCRXSFGHLGS-UHFFFAOYSA-N
-rxn:5:193382:227387:225980,O=S(=O)(c1ccc(-c2ccnc(N3CCCC3)c2)cc1-c1cc(N2CCOCC2)ncc1F)N1CCOCC1,CTDBYHTUPSJGOB-UHFFFAOYSA-N
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-rxn:5:193462:222988:227710,Cc1cc(-c2ccc(-c3ccc(OS(C)(=O)=O)cc3)c(CN3CCC(=O)CC3)c2)cc(C2CCNCC2)n1,XBDZVLVMSIBZGS-UHFFFAOYSA-N
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-rxn:5:193463:227710:222987,Cc1nc(C2CCNCC2)ccc1-c1cc(-c2ccc(OS(C)(=O)=O)cc2)ccc1CN1CCC(=O)CC1,JEAAOBSVBIGROZ-UHFFFAOYSA-N
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-rxn:5:193506:222959:226661,Cc1cc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3cc(N4CCN(C)CC4)cs3)c2)ccc1C1CCNCC1,VMLDFBUGYGFVLJ-UHFFFAOYSA-N
-rxn:5:193506:223295:223138,CS(=O)(=O)Nc1cncc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3ccnc(C4CCNCC4)c3)c2)c1,AKEHGVADNHNXLL-UHFFFAOYSA-N
-rxn:5:193506:225683:226764,COC(=O)c1c(F)ccc(-c2cc(-c3ccc(C4CCCOC4)nc3C)ccc2S(=O)(=O)N2CCC(=O)CC2)c1F,SHEYJROFSNIAIF-UHFFFAOYSA-N
-rxn:5:193506:225805:227992,CC(c1ccc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3ccc(C4COC4)cc3)c2)s1)N1CCOCC1,MHWILMUAWQFTIT-UHFFFAOYSA-N
-rxn:5:193538:226686:227611,Cc1cnn(C2CCCCO2)c1-c1cc(CN2CCCCC2)ccc1-c1ccnn1C1CCCCO1,HNWITPLBFCIFBI-UHFFFAOYSA-N
-rxn:5:193539:223186:226686,Cc1cnn(C2CCCCO2)c1-c1cc(CN2CCCCC2)ccc1-c1cnn(C2CCCCO2)c1,JCWXLAMIJNKVEV-UHFFFAOYSA-N
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-rxn:5:193755:227071:226133,COCc1cc(C)c(-c2cccc(C(=O)N3CCCC(C)C3)c2-c2cc(C3CC3)cc(C#N)c2C)c(C)c1,OATUFKCCDCRGAD-UHFFFAOYSA-N
-rxn:5:193756:223062:225640,CC1CCCCN1C(=O)c1ccc(-c2cnc(C3CCNCC3)cc2F)cc1-c1ccnc(N2CCCCC2C)c1,LITXILLOHNKBTM-UHFFFAOYSA-N
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-rxn:4:175738:223540,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1cc(F)c(F)c(OCCC2OCCCO2)c1,HIGPPSCVXUZQSP-UHFFFAOYSA-N
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-rxn:4:177146:223530,CCCS(=O)(=O)c1ccccc1-c1cc(F)ccc1CN1CCN(C(=O)OC(C)(C)C)CC1,OVAVMZLPPABZRF-UHFFFAOYSA-N
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-rxn:4:178588:225054,CC1CCCCN1c1ccc(-c2ccc3c(c2)CCC(O[Si](C)(C)C(C)(C)C)C3)c(Cl)c1,OZWFGKBAPOGDEQ-UHFFFAOYSA-N
-rxn:4:178597:227153,Cc1nn(C)c2cc(-c3ccc(OC(=O)C4OC5OC(C)(C)OC5C5OC(C)(C)OC45)cc3)ccc12,DVVVAGLACHKSML-UHFFFAOYSA-N
-rxn:4:178597:228767,CCc1cc(-c2ccc(OC(=O)C3OC4OC(C)(C)OC4C4OC(C)(C)OC34)cc2)cc(F)n1,SANJOMQFVBHTMJ-UHFFFAOYSA-N
-rxn:4:178597:228782,COc1ccc(-c2ccc(OC(=O)C3OC4OC(C)(C)OC4C4OC(C)(C)OC34)cc2)c(Cl)c1,FRZFYSNQHJJVKH-UHFFFAOYSA-N
-rxn:4:178597:228787,COc1cc(F)cc(-c2ccc(OC(=O)C3OC4OC(C)(C)OC4C4OC(C)(C)OC34)cc2)c1,XBCXQVYNMOQLGD-UHFFFAOYSA-N
-rxn:4:178597:228886,CCc1ncc(-c2ccc(OC(=O)C3OC4OC(C)(C)OC4C4OC(C)(C)OC34)cc2)c(Cl)n1,VMLYWPOWGNPACK-UHFFFAOYSA-N
-rxn:4:178598:224087,COc1cc2c(cc1OC)C1CCCCC1OC2c1cccc(-c2cccc(OCCN3CCCCCC3)c2)c1,FXQPJOOZSFWSER-UHFFFAOYSA-N
-rxn:4:178863:223574,COC(=O)c1cc(Cl)c(-c2cccc(CN3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1F,LGDWFAWECSQGDC-UHFFFAOYSA-N
-rxn:4:179801:223499,CC(=O)C1CC1c1ccccc1-c1ccc(Cl)c(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1,MWZMNLYATPPTAM-UHFFFAOYSA-N
-rxn:4:179925:224303,CC(C)(C)[Si](C)(C)Oc1ccc(-c2cc(C(F)(F)F)cc(C3OCCO3)c2F)c(F)c1F,BKYHXBPVQOVPTQ-UHFFFAOYSA-N
-rxn:4:179955:223527,CCOc1cc(C)c(-c2ccc(F)cc2CN2CCN(C(=O)OC(C)(C)C)CC2)c(C)c1,APYXPCPXSAYZDL-UHFFFAOYSA-N
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-rxn:4:180262:223574,CSc1ccc(C(C)(C)C)cc1-c1cccc(CN2CCN(C(=O)OC(C)(C)C)CC2)c1,MRFNDIRQVRRKSH-UHFFFAOYSA-N
-rxn:4:180384:223540,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1cc(C(C)C)cc(C2OCCO2)c1,DPNYHUIUHQFIES-UHFFFAOYSA-N
-rxn:4:180392:222466,c1cc(-c2cc(C3CCCCC3)nc(C3CCNCC3)c2)c(C2CC2)cc1C1CCOC1,TZPLGLXKCLYZLX-UHFFFAOYSA-N
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-rxn:4:180401:223822,CC(C)(C)COC(=O)c1ccc(C(F)(F)F)cc1-c1cc(C2CC2)cc(C2CCCO2)c1,TUUWXDICQQXOOD-UHFFFAOYSA-N
-rxn:4:180431:223577,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3ccccc3S(=O)(=O)C3CCCCC3)cc2)CC1,NKFGSASASTZNTQ-UHFFFAOYSA-N
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-rxn:4:180792:223873,CCOC1CCC2(CC1)Cc1ccc(-c3ccccc3CCC(=O)N3CCC(C)CC3)cc1C2=O,UVICZLFLNAHMKU-UHFFFAOYSA-N
-rxn:4:180792:224501,CCOC1CCC2(CC1)Cc1ccc(-c3ccc(OCC4CCCCN4C)cc3)cc1C2=O,SOSUBQLWZIXIBG-UHFFFAOYSA-N
-rxn:4:180815:225005,COc1ccc(-c2cccc(C(C)N3CCOCC3)c2)cc1C12CC3CC(CC(C3)C1)C2,UTUUDJJWSQMRMF-UHFFFAOYSA-N
-rxn:4:181096:223492,CSc1c(F)cccc1-c1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c(C)c1,MJVBKXZWCOBFHP-UHFFFAOYSA-N
-rxn:4:182228:222465,O=C1CCOc2c1cc(-c1cc(C3CCCCC3)nc(C3CCCNC3)c1)cc2C(F)(F)F,DCFOCGUTDMUBKB-UHFFFAOYSA-N
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-rxn:4:183269:222545,Cc1cc2c(cc1-c1ccc(C(C)(C)NC(=O)OC(C)(C)C)cc1)C(C)(C)C=CC2(C)C,OAWQWHZJXNAXER-UHFFFAOYSA-N
-rxn:4:183272:226449,CC1(c2ccccc2-c2ccc3c(c2)OCCOCCOCCOCCOCCO3)OCCO1,DSBPAWDNAKTQHB-UHFFFAOYSA-N
-rxn:4:183273:223329,Cc1ccc2cn[nH]c2c1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,YOPNKCDTNREPTC-UHFFFAOYSA-N
-rxn:4:183273:223712,COc1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1C12CC3CC(CC(C3)C1)C2,NWAZLDDHJKMHHO-UHFFFAOYSA-N
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-rxn:4:183274:227669,COc1c(F)c(C)cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCOCCO3)c1F,VDPUCBBDKNYNPI-UHFFFAOYSA-N
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-rxn:4:183726:222589,CCCOc1cc(-c2ccc(OCCN3CCC(O)CC3)c(Cl)c2)ccc1C(=O)ON1C(=O)CCC1=O,GUNCVMMXVUSJQL-UHFFFAOYSA-N
-rxn:4:183729:226843,O=C(COc1ccc(OC(F)(F)F)cc1-c1ccc(C(=O)C(F)(F)F)nc1)N1CCOCC1,YEGBAFXOBIYAAN-UHFFFAOYSA-N
-rxn:4:183808:226488,FCCCOc1ccc(-c2ccc(OC(F)(F)F)cc2OCCN2CCC(F)(F)CC2)cc1F,MJSWOPSFGOWBEQ-UHFFFAOYSA-N
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-rxn:4:183868:223679,CCN1CCN(S(=O)(=O)c2c(C)cc(-c3ccc(CN(CC)CC)c(Oc4ccccc4)c3)cc2C)CC1,GUIGRGNKWFMYGK-UHFFFAOYSA-N
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-rxn:4:187432:224746,COC(=O)c1ccc(-c2ccc(N3CCN(C(C)=O)CC3)nc2)c(CN2CCC(C)CC2)c1,KUULNQHXNFZMKC-UHFFFAOYSA-N
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-rxn:4:187494:222897,CCCCNS(=O)(=O)c1cccc(-c2ccc(C3CN(C(=O)OC(C)(C)C)CCO3)cc2)c1,UTSJRIPVRNXLAM-UHFFFAOYSA-N
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-rxn:4:187557:223103,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc([C@H]3CCCC(=O)N3C(=O)OC(C)(C)C)cc2)s1,ZWNHNIFDWFLDQD-GOSISDBHSA-N
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-rxn:4:187579:223078,CCNS(=O)(=O)c1ccc(-c2cc(C3CCN(C(=O)OC(C)(C)C)CC3C)co2)c(C)c1,YWQJYEBFCSCTLK-UHFFFAOYSA-N
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-rxn:4:187590:224187,CC(C)(C)OC(=O)N1CCCC(c2ccc(-c3ccc(OCCN4CCCCC4)cc3F)c(F)c2)C1,JEVKEAVVXVIEFR-UHFFFAOYSA-N
-rxn:4:187594:223536,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cc(F)cc(C4CCCN(C(=O)OC(C)(C)C)C4)c3)cc(F)c2F)CC1,CKJHVZJCRXAWTA-UHFFFAOYSA-N
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-rxn:4:187622:222912,CC(C)CNS(=O)(=O)c1ccc(-c2cc(CN3CCC(C)CC3)ccc2OC(C)C)cc1,QEHKIAWIACHUJB-UHFFFAOYSA-N
-rxn:4:187633:223183,CNS(=O)(=O)c1ccc(-c2cccc(C3(C)CN(C(=O)OC(C)(C)C)CCO3)c2)c(C)c1,VVWKCAUORHDTQI-UHFFFAOYSA-N
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-rxn:4:187961:224132,COC(=O)Cc1cc2c(n1-c1ccc(-c3ccccc3C(=O)N(C)C3CCCCC3)cc1)CC(C)(C)CC2=O,ZBFOFNGVPOFPLJ-UHFFFAOYSA-N
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-rxn:4:187968:222682,COc1cccc(-c2ccc3c(ccn3[Si](C(C)C)(C(C)C)C(C)C)c2)c1NC(=O)OC(C)(C)C,MTYBKSVVKUUWHD-UHFFFAOYSA-N
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-rxn:4:188026:222792,CC(C)c1ccc(C2c3c(oc4ccc(-c5cc(NC(=O)OC(C)(C)C)ccc5F)cc4c3=O)C(=O)N2CC2CCCO2)cc1,HOHLQCATFUJAHN-UHFFFAOYSA-N
-rxn:4:188026:225111,COc1ccc(-c2ccc3oc4c(c(=O)c3c2)C(c2ccc(C(C)C)cc2)N(CC2CCCO2)C4=O)c(F)c1OCC(C)C,NGKHXDVBNHEBBX-UHFFFAOYSA-N
-rxn:4:188172:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cc(F)cc(OC(F)F)c3[N+](=O)[O-])c2Cl)CC1,ZMSKRJFWLPWIMJ-UHFFFAOYSA-N
-rxn:4:188272:223577,COC(=O)c1cc(-c2ccc(OC3CCN(C(=O)OC(C)(C)C)CC3)cc2)cc(F)c1C#N,ZVCLANCBJUXSMK-UHFFFAOYSA-N
-rxn:4:189306:223499,COC(=O)c1cc(N(C)C)ccc1-c1ccc(Cl)c(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1,SJEBSXVBHSNRCH-UHFFFAOYSA-N
-rxn:4:189471:223541,COC(=O)c1c(C)noc1-c1ccccc1-c1cc(F)c(F)cc1S(=O)(=O)N1CCC2(CC1)OCCO2,JESOPKHBSKBQNT-UHFFFAOYSA-N
-rxn:4:189700:222638,CC(NC(=O)OC(C)(C)C)c1cccc(-c2ccc(C(=O)N(C)C3CCS(=O)(=O)C3)o2)c1,SPFQNBLCKIILJZ-UHFFFAOYSA-N
-rxn:4:189827:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2cc(CC(=O)N3CCOCC3)ccc2Cl)cc1,DWBDJBSNXOBJHW-UHFFFAOYSA-N
-rxn:4:189840:224254,COC(=O)c1cc(F)c(N2CCCC2)cc1-c1ccc(F)c(C(=O)N2CCCC(C)C2)c1,YHXQJJKVYCZQPI-UHFFFAOYSA-N
-rxn:4:189874:225186,O=C(c1cc(-c2ccc(F)c(CN3CCSCC3)c2)ccc1C(F)(F)F)N1CCOCC1,TUFKIPVZWIFUIH-UHFFFAOYSA-N
-rxn:4:189885:222921,Cc1cc(S(=O)(=O)NC(C)C)ccc1-c1c(C(F)(F)F)ccc(F)c1C(=O)N1CCOCC1,YYFCKXXCLDNNHH-UHFFFAOYSA-N
-rxn:4:189944:222514,COc1ccc(-c2cccc(CS(=O)(=O)N3CCOCC3)c2)cc1S(=O)(=O)NC1CCCCC1,NLFFVAUSDGHXGD-UHFFFAOYSA-N
-rxn:4:189960:223835,COc1cc(-c2cc(S(=O)(=O)N3CCC(C)CC3)c(C)cc2F)cc(F)c1C(=O)N1CCOCC1,FVUVXYKBBVSBSV-UHFFFAOYSA-N
-rxn:4:189972:224971,CN1CCN(Cc2ccc(-c3ccc(S(=O)(=O)N4CCOCC4)c(C(F)(F)F)c3)cc2)CC1,JUWGNGCONRFLNJ-UHFFFAOYSA-N
-rxn:4:190013:224491,COc1ccc(C2SCCN2S(C)(=O)=O)cc1-c1ccc(F)c(CN(C(C)C)C(C)C)c1,ZYVJNBFPJVJFKW-UHFFFAOYSA-N
-rxn:4:190034:225342,C#Cc1ccc(-c2cc(C(=O)N(C)C)cc([N+](=O)[O-])c2)cc1N1CCC(C(F)(F)F)CC1,AZGYORRNQVIVFV-UHFFFAOYSA-N
-rxn:4:190175:227230,CCCOc1ncc(C)cc1-c1cc(S(=O)(=O)N2CCCCC2C(F)(F)F)c(F)cc1F,NRRXRSXWOGSAOQ-UHFFFAOYSA-N
-rxn:4:190181:223902,COc1ccc(-c2ccc(OCCN3CCC(C)CC3)c(F)c2)cc1CN1CCCCC1,PRHGNGIBWKPLQH-UHFFFAOYSA-N
-rxn:4:190204:222695,Cc1ccc(-c2ccc(CN(C)C3CCOCC3)c(F)c2)cc1S(=O)(=O)NC1CCCC1,WNTGZGIQHLHNTE-UHFFFAOYSA-N
-rxn:4:190227:224376,CN1CCN(S(=O)(=O)c2cccc(-c3cc(S(C)(=O)=O)ccc3CN3CCOCC3)c2)CC1,PETJCTDVORFTCC-UHFFFAOYSA-N
-rxn:4:190233:224735,CCC(=O)C1CCCN(c2ccc(F)cc2-c2ccc(C(F)(F)F)c(OCC(C)C)c2)C1=O,ZTCFYYRGJLQPJS-UHFFFAOYSA-N
-rxn:4:190274:222812,COc1cc(S(=O)(=O)N2CCOCC2)c(C)cc1-c1cnc(Cl)c(NC(=O)OC(C)(C)C)c1,ZNTBIZQBLLRVDK-UHFFFAOYSA-N
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-rxn:4:190355:226761,CSc1ccc(-c2cc(C(F)(F)F)cc(S(=O)(=O)N3CCC(C)CC3)c2)c(C(F)(F)F)c1,UZUOGZORHCVNJY-UHFFFAOYSA-N
-rxn:4:190383:225208,Cc1nc(N2CCCC(C)C2)ncc1-c1ccccc1N1CCCC(C(=O)C(C)C)C1=O,ZJRFAOKXSGBRPK-UHFFFAOYSA-N
-rxn:4:190387:224180,CCC(=O)C1CCCN(c2cccc(C)c2-c2ccccc2OCCN2CCN(C)CC2)C1=O,YHAFNBDOKAJGHT-UHFFFAOYSA-N
-rxn:4:190390:223935,COc1cc(C(=O)N2CCC3(CC2)CC3)cc(-c2cc3cccc(F)c3n2C(=O)OC(C)(C)C)c1,HKRUWFHOBDCNMF-UHFFFAOYSA-N
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-rxn:4:190493:223897,Cc1ccc(-c2ccccc2S(=O)(=O)N2CCC(c3ccccc3)S(=O)(=O)CC2)cc1OCCCN1CCOCC1,QRKVHRSNFMQHDF-UHFFFAOYSA-N
-rxn:4:190498:225309,Cc1cc(S(=O)(=O)N2CCCCCC2)c(C(C)C)cc1-c1cc(C2CC2)cc(C(F)(F)F)c1Cl,PUNFMAKFRKKZJD-UHFFFAOYSA-N
-rxn:4:190856:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cccc4c3N(C(=O)OC(C)(C)C)CC4)c2Cl)CC1,WHFMDCUUJCTRKJ-UHFFFAOYSA-N
-rxn:4:190930:224397,CC(C)(C)OC(=O)N1CC(=O)c2cccc(-c3ccc(S(=O)(=O)N4CCC(=O)CC4)cc3)c2C1,TXWWBARMJHOVEB-UHFFFAOYSA-N
-rxn:4:190957:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2cccc3c2CCCN3C(=O)OC(C)(C)C)cc1,FZZAUYABJOBAOU-UHFFFAOYSA-N
-rxn:4:190975:224321,CC1CCN(S(=O)(=O)c2cccc(-c3ccc4c(c3)C(F)(F)CCN4C(=O)OC(C)(C)C)c2)CC1,LWBLRHXBFMNXOM-UHFFFAOYSA-N
-rxn:4:191030:222823,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc3c(c2)C(C)(C)N(C(=O)OC(C)(C)C)C3)c(F)c1,AYLSGDNAWUWHEG-UHFFFAOYSA-N
-rxn:4:191030:223103,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc3c(c2)C(C)(C)N(C(=O)OC(C)(C)C)C3)s1,JFGZEEKPLLMIPW-UHFFFAOYSA-N
-rxn:4:191030:224969,Cc1cc(-c2ccc3c(c2)C(C)(C)N(C(=O)OC(C)(C)C)C3)ccc1C(=O)OC(C)(C)C,QMNBQROSDYVQDI-UHFFFAOYSA-N
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-rxn:4:191036:224410,CC1Cc2cc(-c3ccc(OCC(F)(F)F)c(C(F)(F)F)c3)ccc2CN1C(=O)OC(C)(C)C,GNORGXQQMNNAMR-UHFFFAOYSA-N
-rxn:4:191039:225901,Cc1nn(C(=O)OC(C)(C)C)cc1-c1ccc2c(c1)C(C)(C)CN2C(=O)OC(C)(C)C,DJGYMPSHEXTSKM-UHFFFAOYSA-N
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-rxn:4:199841:224501,CC1CN(Cc2cc(C(F)(F)F)ccc2-c2ccc(OCC3CCCCN3C)cc2)CCN1C(=O)OC(C)(C)C,TXHUQRKFMDVISS-UHFFFAOYSA-N
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-rxn:4:202193:223084,CN(C)[C@@H]1CCCC[C@H]1N(C)C(=O)c1ccc(-c2cnc(N3CCC(O)CC3)nc2)cc1,UTTZAQDLNJBNSB-DHIUTWEWSA-N
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-rxn:4:202345:223992,COc1cc(C)c(-c2ccc(C)c(S(=O)(=O)N3CCN(C)CC3)c2)cc1S(=O)(=O)N1CCN(c2c(C)cccc2C)CC1,VEOVRRRURQGAGD-UHFFFAOYSA-N
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-rxn:4:202745:224179,CN1CCN(CCOc2ccc(-c3ccc(C4C5C(=O)N(Cc6ccccc6)C(=O)C5ON4c4ccccc4)cc3)cc2)CC1,AIJHIPPOPGCFOO-UHFFFAOYSA-N
-rxn:4:202760:224303,COc1cc(-c2ccc(O[Si](C)(C)C(C)(C)C)c(F)c2F)cc2cc(C(=O)N3CCN(c4cccc(C)c4C)CC3)c(=O)oc12,AIXAFSCCAWTUTM-UHFFFAOYSA-N
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-rxn:4:202779:223916,COc1ccc(C2c3c(oc4ccc(-c5ccc(C(=O)N6CCN(C(C)C)CC6)cc5)cc4c3=O)C(=O)N2c2nccs2)cc1OC,CEUFLZMARLAFHT-UHFFFAOYSA-N
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-rxn:4:202807:224658,CC(=O)N1CCN(c2ccc(-c3ccc(Sc4c(C)nn(C(=O)C56CC7CC(CC(C7)C5)C6)c4C)cc3)cc2)CC1,BCWVLOZLAUQZMZ-UHFFFAOYSA-N
-rxn:4:203078:223588,CON(C)C(=O)c1nc(Cl)ccc1-c1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)c(C)c1,HUSVEIWBZPJVMQ-UHFFFAOYSA-N
-rxn:4:203544:223836,COc1ncnc2c1cc(-c1cc([N+](=O)[O-])ccc1C(=O)N1CCC(F)(F)C1)n2C(=O)OC(C)(C)C,MQLAGGUSQRAWLR-UHFFFAOYSA-N
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-rxn:4:203666:222614,N#CC1CCN(Cc2cccc(-c3ccc(S(=O)(=O)NC4CC4)cc3C(F)(F)F)c2)CC1,YTAIDRIIGCMKAG-UHFFFAOYSA-N
-rxn:4:203693:222741,N#Cc1ccc(-c2cc(C3CC3)nc(C3CCCNC3)c2)cc1N1CCCC(C(F)(F)F)C1,JFJWLFUECSDZON-UHFFFAOYSA-N
-rxn:4:203724:222542,Cc1ccc(-c2ccc(S(=O)(=O)NN3CCCCC3)cc2)cc1OCCCN1CCNCC1,PFOITDOENISDLP-UHFFFAOYSA-N
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-rxn:4:203832:224256,CC1CCCCN1C(=O)c1cc(-c2ccc(C(=O)N3CCN(C)CC3)c(C(F)(F)F)c2)ccc1Cl,REZUWGBVTBYYGQ-UHFFFAOYSA-N
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-rxn:4:203940:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1ccccc1N1CCN(S(=O)(=O)C2CC2)CC1,VAJDKBXZNHYXHR-UHFFFAOYSA-N
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-rxn:4:203972:222694,CC(=O)N1CCN(S(=O)(=O)c2ccc(-c3cccc(S(=O)(=O)NC4CCCCC4)c3)c(C)c2)CC1,UFKLFWQUJXIIGI-UHFFFAOYSA-N
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-rxn:4:203992:222628,CC(C)N1CCN(Cc2ccc(-c3cc(C4CCC4)nc(C4CCCNC4)c3)cc2)CC1,VHDRZSPQMJXJQD-UHFFFAOYSA-N
-rxn:4:204010:224325,CS(=O)(=O)N1CC=C(c2ccc(-c3cccc(CC4CCCN(S(C)(=O)=O)CC4)n3)cc2)CC1,VMSLSDBURCEBQT-UHFFFAOYSA-N
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-rxn:4:204023:223940,CC(C)N1CCN(Cc2c(F)cc(-c3ccc4c(c3)OCCN4C(=O)OC(C)(C)C)cc2F)CC1,KHZFYLYHROZDHG-UHFFFAOYSA-N
-rxn:4:204041:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1cccc(C(=O)N2CCN(c3ccccc3)CC2)c1,UPHGCORLVGKLLD-UHFFFAOYSA-N
-rxn:4:204071:223943,Cc1cc2c(cnn2C2CCCCO2)c(-c2ccc(CN3CCOCC3)c(N3CCCC3)c2)c1Cl,LCVHQLLQEZQSAJ-UHFFFAOYSA-N
-rxn:4:204075:225213,CC(=O)N1CCN(S(=O)(=O)c2cc(C)c(-c3ccc(N4CCN(C)CC4)cc3Cl)cc2C)CC1,GJDSABAMPCDSBO-UHFFFAOYSA-N
-rxn:4:204098:222519,CCN1CCN(S(=O)(=O)c2cc(C)c(C)cc2-c2cc(C(F)(F)F)ccc2NC(=O)OC(C)(C)C)CC1,HZINZCFBYAJLGY-UHFFFAOYSA-N
-rxn:4:204109:226885,O=C1COCC(=O)N1C1CCN(S(=O)(=O)c2ccccc2-c2cc(C(F)(F)F)cc(Cl)c2F)CC1,GRAWTJGGTDKFBR-UHFFFAOYSA-N
-rxn:4:204114:222828,O=C(c1ccc(-c2cc(F)c(F)cc2S(=O)(=O)NC2CC2)o1)N1CCCN(C2CCSCC2)CC1,DTCLPQURYHRCES-UHFFFAOYSA-N
-rxn:4:204115:223182,CCNS(=O)(=O)c1ccc(-c2ccccc2S(=O)(=O)N2CCCN(C3CCC3)CC2)cc1,LQFIOYCXJCJLGJ-UHFFFAOYSA-N
-rxn:4:204141:223475,CC(C)(C)[Si](Oc1cccc(-c2cccc(C3CCN(C(=O)C4CCCCC4)CC3)n2)c1)(c1ccccc1)c1ccccc1,HVGMHSBTEWKTBQ-UHFFFAOYSA-N
-rxn:4:204166:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(CN2CCCCC2C)c(N2CCOCC2)c1,WYWBHGNPHBPNMQ-UHFFFAOYSA-N
-rxn:4:204168:223056,CC1CCN(Cc2ccc(-c3ccc(N4CCC(O)CC4)nc3)cc2N2CCOCC2)CC1,NRNFNIPVTSQJIR-UHFFFAOYSA-N
-rxn:4:204169:223056,CC1CN(Cc2ccc(-c3ccc(N4CCC(O)CC4)nc3)cc2N2CCCCC2)CCO1,CYYWMLQYLBHEGD-UHFFFAOYSA-N
-rxn:4:204171:226479,CCCCOc1nccc(-c2ccc(CN3CCCC(C)C3)c(N3CCCCC3)c2)c1Cl,WMXJYVSJPHYJBC-UHFFFAOYSA-N
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-rxn:4:204647:224977,CC(C)(C)OC(=O)N1CCOc2c(cncc2-c2ccc(N3CCCCC3)c(C#N)c2)C1,NPGMSDWYKHUPBH-UHFFFAOYSA-N
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-rxn:4:204764:225672,O=C1C2CC=CCC2C(=O)N1C1CN(S(=O)(=O)c2ccc(-c3cc(F)nc(C4CCCCC4)c3)cc2)C1,NUBCJPOVPFYMNZ-UHFFFAOYSA-N
-rxn:4:204764:226432,O=C1C2CC=CCC2C(=O)N1C1CN(S(=O)(=O)c2ccc(-c3ccc(C4CCCC4)nc3F)cc2)C1,OCBREPBFMBMJPJ-UHFFFAOYSA-N
-rxn:4:204780:223288,CNS(=O)(=O)c1cccc(-c2ccc(S(=O)(=O)N3CC(N4CC5CCCC5C4)C3)cc2)c1,RITZUMQDYHOAOJ-UHFFFAOYSA-N
-rxn:4:204864:223529,Cc1cc(N2C=C(C(=O)N3CCCCC3)S(=O)(=O)c3ccccc32)ccc1-c1ccc(CN2CCN(C(=O)OC(C)(C)C)CC2)c(F)c1,FTDRFGMJIDGBQE-UHFFFAOYSA-N
-rxn:4:204867:224683,CC1CCN(C(=O)C2=CN(c3cccc(-c4cc(F)cc(C(=O)N5CCCCC5)c4)c3)c3cc(Cl)ccc3S2(=O)=O)CC1,ZVSDZHJHUUCKFI-UHFFFAOYSA-N
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-rxn:4:204875:226558,CCCOc1c(F)ccc(-c2ccc(C3OC4(C(=O)c5ccccc5C4=O)C4C(=O)N(c5ccc([N+](=O)[O-])cc5)C(=O)C34)cc2)c1F,FZPBURSBIYCFTN-UHFFFAOYSA-N
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-rxn:4:204915:222656,CCC1Oc2c(OC)cc(-c3ccc(C(=O)NC4CCCCC4)c(F)c3)cc2C2CC(c3ccc(Cl)cc3)=NN12,DDXREZDBXCVBMD-UHFFFAOYSA-N
-rxn:4:206223:223761,CC(C)(C)OC(=O)N1CCCC1c1ccc(-c2cc([N+](=O)[O-])ccc2N2CCCC2=O)cc1,JHDMRHALRHSKLW-UHFFFAOYSA-N
-rxn:4:206402:223834,Cc1cc(-c2cncc(CN3CCOCC3=O)c2)cc(C)c1S(=O)(=O)N1CCN(C)CC1,XQANUMRPWYPQOW-UHFFFAOYSA-N
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-rxn:4:206957:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1cncc(S(=O)(=O)N2CCC(C)CC2)c1,HQTWQTLKSZZINH-UHFFFAOYSA-N
-rxn:4:206962:222607,CS(=O)(=O)N1CCC(Nc2ccc(-c3ccc(C4CCCN(S(C)(=O)=O)C4)nc3)cc2)CC1,SJUCHFPAKNOBDS-UHFFFAOYSA-N
-rxn:4:206963:223569,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(F)c(-c3ccccc3N3CCN(S(C)(=O)=O)CC3)cnc21,VUFWRFHDTDPWKE-UHFFFAOYSA-N
-rxn:4:206976:224649,CN1CCN(S(=O)(=O)c2ccc(F)c(-c3cc(F)ccc3OCC3CCCCO3)c2)CC1,IUHCDUZZAZYDTB-UHFFFAOYSA-N
-rxn:4:206990:222465,CN1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2cc(C3CCCCC3)nc(C3CCCNC3)c2)CC1,FBNYNHISGIMWBC-UHFFFAOYSA-N
-rxn:4:207056:222807,CC1CCN(c2ccc(S(N)(=O)=O)cc2-c2cc(C(=O)NC3CC3)cc([N+](=O)[O-])c2)CC1,UYGSSSHOIZUWJW-UHFFFAOYSA-N
-rxn:4:207513:223597,O=C1c2ccccc2C(=O)N1Cc1ccc(-c2ccc(OCCN3CCC4(CC3)OCCO4)c(Cl)c2)nc1,HAYKGELWAGEGON-UHFFFAOYSA-N
-rxn:4:207669:224288,CN(C(=O)OC(C)(C)C)c1ccc(-c2ccc3c(n2)OCCN3C(=O)C(C)(C)C)c(Cl)c1,DFYSBUPRJSUBTQ-UHFFFAOYSA-N
-rxn:4:207779:224403,O=S(=O)(c1ccc(-c2cnc(N3CCOCC3)c(C(F)(F)F)c2)cc1)N1CCN2CCC1CC2,FJMHZILTNRFOEP-UHFFFAOYSA-N
-rxn:4:207779:224731,CC(C)(C)COS(=O)(=O)c1cccc(-c2ccc(S(=O)(=O)N3CCN4CCC3CC4)cc2)c1,BLHNFOKKURGALI-UHFFFAOYSA-N
-rxn:4:207854:223069,CCCS(=O)(=O)Nc1cccc(-c2ccc3c(c2)CCN3C2CCN(C3CCC3)CC2)c1,ZSVZHBHUXLIUNL-UHFFFAOYSA-N
-rxn:4:207890:224849,Cc1c(-c2cc(C3CCCC3)cc(C3CC3)c2)cnn1CC12CC3CC(CC(C3)C1)C2,PIZHEKNTHWKSBN-UHFFFAOYSA-N
-rxn:4:207942:223753,Cc1ccc(-c2ccc3oc4c(c(=O)c3c2)C(c2ccccc2F)N(c2nc(C)c(C)s2)C4=O)cc1OCCCN1CCN(C)CC1,VQHHRXGUXBUGAW-UHFFFAOYSA-N
-rxn:4:207959:226180,Cc1ccc(C2=NN3C(C2)c2cc(-c4cc(C)nc(C5CCCC5)c4)ccc2OC3C2CCCCC2)cc1,DVZITBNZDNGBPG-UHFFFAOYSA-N
-rxn:4:209759:223636,CC(C)(C)OC(=O)N1CCCC(c2ccc(-c3ccnc(N4CCCCC4)c3F)cc2)C1,MRSLGMSRLCNRPG-UHFFFAOYSA-N
-rxn:4:211101:223109,Cc1ccc(C2=NN3C(C2)c2cc(-c4ccc(C(C)NC5CC5)cc4)ccc2OC32CCC(C)CC2)cc1,VXWTVVOSUPTDIJ-UHFFFAOYSA-N
-rxn:4:212526:225190,COc1cc(N2CCOCC2)ccc1-c1cc([N+](=O)[O-])ccc1OCCN1CCC(C#N)CC1,REGCMCYZORKBMG-UHFFFAOYSA-N
-rxn:4:212585:222913,CC(C)N(Cc1c(-c2ccc(CNS(=O)(=O)C3CC3)cc2)cnn1C)C(=O)OC(C)(C)C,RNRCCRYDCBLZRY-UHFFFAOYSA-N
-rxn:4:212586:222740,COc1cccc(C(=O)N2CC(Cn3cc(-c4cc(C(C)C)nc(C5CCCNC5)c4)cn3)C2)c1OC,OIFPAQRAVVEQES-UHFFFAOYSA-N
-rxn:4:212593:223289,CNS(=O)(=O)c1ccccc1-c1ccc(C(=O)N(C)C2CN(C(=O)OC(C)(C)C)C2)cn1,RCEVMVHMWWBNQK-UHFFFAOYSA-N
-rxn:4:212593:224198,CCN1CCN(Cc2ccc(-c3ccc(C(=O)N(C)C4CN(C(=O)OC(C)(C)C)C4)cn3)c(F)c2)CC1,OOINKCLWLIBLJJ-UHFFFAOYSA-N
-rxn:4:212604:224769,Cc1ccc(C(=O)N2CCN=C2SCc2ccc(-c3ccc(N4CCCC4)cc3C(F)(F)F)cc2)cc1[N+](=O)[O-],AEHFQJUGGPUXRK-UHFFFAOYSA-N
-rxn:4:212606:224586,CC(C)CC(=O)N1CCCC(COc2ncc(-c3cc(F)ccc3CN3CCC(C)CC3)cn2)C1,TXLIVJDVCOYZNZ-UHFFFAOYSA-N
-rxn:4:212616:226037,COc1c(C(F)(F)F)ccc(-c2cncc(C(=O)OCC(=O)N3CCN(c4ccccc4F)CC3)c2)c1F,QCSLHZYHYICOIK-UHFFFAOYSA-N
-rxn:4:212626:225828,N#Cc1ccnc(OCC2CCN(S(=O)(=O)c3ccc(-c4cnc(N5CCCCCC5)nc4)cc3)CC2)c1,ANACWZNGEAJODD-UHFFFAOYSA-N
-rxn:4:212628:226231,CCCCOc1ncc(-c2cnc(OC3CCCN(C(=O)Cc4cccc(C(F)(F)F)c4)C3)nc2)cc1C,AIYNIDKWFMTVPR-UHFFFAOYSA-N
-rxn:4:212629:226291,CC(C)COc1cc(F)cc(-c2cncc(C(=O)N3CCC(COc4cccc(C(F)(F)F)n4)CC3)c2)c1,ZIWSNYVRVBDPMB-UHFFFAOYSA-N
-rxn:4:212630:225653,CC1CCCCN1c1ccc(-c2cncc(C(=O)N3CCCC(COc4ncccc4C(F)(F)F)C3)c2)cn1,FYCWRDRUKREIRN-UHFFFAOYSA-N
-rxn:4:212637:222945,CC(C)NS(=O)(=O)c1ccc(-c2ccc(C(=O)N(C)C3CCN(C(=O)OC(C)(C)C)C3)cn2)cc1F,AXEZIYGVAACTGF-UHFFFAOYSA-N
-rxn:4:212642:223077,O=C(c1ccc(-c2ccc(S(=O)(=O)NC3CC3)cc2)o1)N1CCC(COc2ccc(C3CC3)nn2)CC1,LVUSVXKGUFWPDA-UHFFFAOYSA-N
-rxn:4:212647:225009,Cc1cnc(OC2CCCCC2)c(-c2cnc(CCC3CCCCN3C(=O)OC(C)(C)C)cn2)c1,CKEUHSQUUSYGHD-UHFFFAOYSA-N
-rxn:4:212648:223790,Cn1cc(-c2cncc(C3CCCN3C(=O)OC(C)(C)C)c2)c(OCC2CCN(C(=O)OC(C)(C)C)CC2)n1,WSWVNYPCPVZGNN-UHFFFAOYSA-N
-rxn:4:212667:224325,COc1ccc(S(=O)(=O)N2CCCC(COc3ncc(-c4ccc(C5=CCN(S(C)(=O)=O)CC5)cc4)cn3)C2)cc1,ZDZHGTQBESPOLR-UHFFFAOYSA-N
-rxn:4:212668:224256,CCOc1ccccc1S(=O)(=O)N1CCC(Oc2ncc(-c3ccc(Cl)c(C(=O)N4CCCCC4C)c3)cn2)CC1,RMAQFFWKGMSEFO-UHFFFAOYSA-N
-rxn:4:212679:222607,Cc1cnc(OC2CCN(C(=O)CCc3ccccc3-c3ccc(NC4CCN(S(C)(=O)=O)CC4)cc3)CC2)nc1,NLGUSJIBLBJGKW-UHFFFAOYSA-N
-rxn:4:212690:224330,Cn1ncc(-c2ccc(Cl)c(C(=O)N3CCC(=O)CC3)c2)c1CN(C(=O)OC(C)(C)C)C1CCCCC1,WOUUIDSZVKTXSX-UHFFFAOYSA-N
-rxn:4:212692:226261,CCOc1ccc(-c2cncc(CC(=O)N3CCN(C(=O)OC(C)(C)C)C(C)C3)c2)cc1OCC,MVFRBXNFPBKZHT-UHFFFAOYSA-N
-rxn:4:212711:222774,CC(C)(C)c1ccc(OCC2CCN(C(=O)c3ccc(-c4ccc(F)c(CN5CCC(O)CC5)c4)o3)CC2)nn1,XAJXVKZDLPAJNC-UHFFFAOYSA-N
-rxn:4:212729:222957,COc1ccc(-c2noc(C3CCCN(S(=O)(=O)c4ccc(-c5cc(C)cc(C6CCCNC6)c5)cc4)C3)n2)cc1OC,RPGKAMGMMUPZGA-UHFFFAOYSA-N
-rxn:4:212738:225237,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccnc(-c4ccc(F)c(F)c4)c3)cc2N2CCOCC2)CC1,HJQRVUAVPVRTEM-UHFFFAOYSA-N
-rxn:4:212750:223049,CC1CN(C(=O)OC(C)(C)C)CCN1Cc1ccc(-c2ccc(C(=O)NC3CC3)cc2F)cc1N1CCCCC1,RCNRCFCKAMLQAT-UHFFFAOYSA-N
-rxn:4:212756:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3ccc4c(c3)sc(=NC(=O)c3ccc([N+](=O)[O-])s3)n4CCOC)c2)CC1,MCYNUAGUPNTYIT-UHFFFAOYSA-N
-rxn:4:212774:223835,Cc1cc(F)c(-c2ccccc2C(=O)N(CCN(C)C)c2nc3c(Cl)cccc3s2)cc1S(=O)(=O)N1CCC(C)CC1,AYQPAVSVVQECMW-UHFFFAOYSA-N
-rxn:4:212775:225144,COCCn1c(=NC(=O)CN2C(=O)CCC2=O)sc2cc(-c3ccc(N4CCOCC4)cc3C#N)ccc21,OFWYXUKSNZOGCD-UHFFFAOYSA-N
-rxn:4:212814:222581,CC(C)NS(=O)(=O)c1ccc(-c2c3c(nn2C(=O)OC(C)(C)C)C(C)(C)N(C(=O)OC(C)(C)C)C3)c2ccccc12,BXKVBCUXAAADDE-UHFFFAOYSA-N
-rxn:4:212839:223062,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4cnc(C5CCNCC5)cc4F)ccn23)CC1,SPGHDWIEMDPVRM-UHFFFAOYSA-N
-rxn:4:212839:224015,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4cc(S(=O)(=O)N5CCOCC5)c(C)cc4F)ccn23)CC1,ABGWQMKDAXVKAK-UHFFFAOYSA-N
-rxn:4:212848:222943,CC(C)(C)OC(=O)N1CCc2c(c3ccc(-c4ccc(F)c(S(=O)(=O)NC5CC5)c4)nc3n2C(=O)OC(C)(C)C)C1,DDJKYWAKNXIIDJ-UHFFFAOYSA-N
-rxn:4:212918:222919,CC(C)(C)NS(=O)(=O)c1ccc(-c2cnn(CC3CN(C(=O)OC(C)(C)C)C3)c2)cc1,UYBKWPDPNWAANT-UHFFFAOYSA-N
-rxn:4:212944:225213,CCOC(=O)N1CCN(c2ncc(C(F)(F)F)cc2-c2ccc(N3CCN(C)CC3)cc2Cl)CC1,XFNHRKNEZXELCG-UHFFFAOYSA-N
-rxn:4:212947:224593,CC1CCN(Cc2cc(-c3cnn(CC4CN(S(=O)(=O)Cc5cc(F)ccc5F)C4)c3)ccc2F)CC1,ZCMODYCUTRGOHS-UHFFFAOYSA-N
-rxn:4:213001:224797,CCCCOc1c(F)c(F)c(-c2ccccc2CCC(=O)N2CCN(c3nccs3)C(=O)C2)c(F)c1F,BDIJLMWTIMDQJX-UHFFFAOYSA-N
-rxn:4:213011:225712,CCOC(=O)COc1ccc(-c2cnc(OCC3CCCN(C(=O)C(C)C)C3)nc2)cc1,OXHLEEKSDGWKAM-UHFFFAOYSA-N
-rxn:4:213037:224592,CC(C)CCN1CCC(Oc2ncc(-c3cc(C4(C#N)CCCCC4)ccc3F)cn2)CC1,BMCYTDDVQQZBRJ-UHFFFAOYSA-N
-rxn:4:213042:224683,CC(C)(C)OC(=O)N1CCCC(Oc2cnc(-c3cc(F)cc(C(=O)N4CCCCC4)c3)cn2)C1,ISRWVQRWUBWKIF-UHFFFAOYSA-N
-rxn:4:213053:225208,Cc1nc(N2CCCC(C)C2)ncc1-c1cnc(OCC2CCCN(C(=O)C3CC(F)(F)C3)C2)nc1,BARHGLXZEYTEJF-UHFFFAOYSA-N
-rxn:4:213053:227464,CCCCSc1ncc(-c2cnc(OCC3CCCN(C(=O)C4CC(F)(F)C4)C3)nc2)cn1,YTEUKIHHVWXGGN-UHFFFAOYSA-N
-rxn:4:213065:222805,O=C(c1ccc(C(F)(F)F)cc1)N1CCCC(Oc2ncc(-c3cc(F)c(F)c(N4CCC(O)CC4)c3)cn2)C1,QLPLDGOZMDYENW-UHFFFAOYSA-N
-rxn:4:213077:225389,CCC(C)c1cc(-c2cn(C3CCN(C(=O)OC(C)(C)C)CC3)nc2C(F)F)cc(C2CC2)c1,JAEFUTBOPLLGAR-UHFFFAOYSA-N
-rxn:4:213123:222487,COc1ccc(CNC(=O)c2ccc(-c3ccccc3CC(=O)N3CCN(c4ccnc(C(F)(F)F)c4)C(=O)C3)cn2)cc1,CAIZKKVRSPBXMH-UHFFFAOYSA-N
-rxn:4:213123:223032,CCCNC(=O)c1ccc(-c2ccccc2CC(=O)N2CCN(c3ccnc(C(F)(F)F)c3)C(=O)C2)c(F)c1,ONCBUDSGJHIYIT-UHFFFAOYSA-N
-rxn:4:213123:224625,CC(C)Oc1cc(-c2ccccc2CC(=O)N2CCN(c3ccnc(C(F)(F)F)c3)C(=O)C2)cc(Cl)c1OC(C)C,GZMATHLXNVPVAX-UHFFFAOYSA-N
-rxn:4:213123:226860,O=C(Cc1ccccc1-c1cc(Cl)ccc1OC(F)(F)F)N1CCN(c2ccnc(C(F)(F)F)c2)C(=O)C1,RLMDZRQGYUCEJN-UHFFFAOYSA-N
-rxn:4:213131:223800,CC(C)(C)C(=O)N1CCC(COc2ncc(-c3cc(OCc4ccccc4)cc(C(F)(F)F)c3)cn2)CC1,JMTGAWDHVCXRHE-UHFFFAOYSA-N
-rxn:4:213132:222916,CC(C)(C)C(=O)N1CCCC(COc2ncc(-c3cccc(C(=O)NC4=NCCS4)c3)cn2)C1,XGGVKPVAPMLGJK-UHFFFAOYSA-N
-rxn:4:213143:223184,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cnc(N4CCNCC4)nc3)ccc2[N+](=O)[O-])CC1,ADRHRZIPJSZNTH-UHFFFAOYSA-N
-rxn:4:213143:227467,COCCOc1cnccc1-c1ccc([N+](=O)[O-])c(N2CCN(C(=O)OC(C)(C)C)CC2)c1,NZJTVWPKDBAOFV-UHFFFAOYSA-N
-rxn:4:213161:224425,CCCC1CCC(c2ccccc2-c2cnc(OC3CCN(S(=O)(=O)c4cccc(OC)c4)CC3)nc2)CC1,GOARVGCPQXSUOJ-UHFFFAOYSA-N
-rxn:4:213192:228209,CC(=O)N1CCN(c2cc(C(=O)OC(C)(C)C)cc(-c3cc(C#N)c(C)cc3Cl)n2)CC1,OFQAQHMRFDSHMN-UHFFFAOYSA-N
-rxn:4:213202:224391,Cc1ccc(OCC2CCN(S(=O)(=O)c3ccccc3-c3ccc(S(=O)(=O)N4CCOCC4)cc3C)CC2)nn1,JLRRMJWHPARSSL-UHFFFAOYSA-N
-rxn:4:213205:222847,Cc1cnc(OCC2CCCN(S(=O)(=O)c3ccc(-c4cc(C#N)cc(C5CCCNC5)c4)cc3)C2)nc1,VTJHMZAVQZGOJH-UHFFFAOYSA-N
-rxn:4:213213:223928,CN(c1cccc(-c2cnc3c(c2)CN(C(=O)OC(C)(C)C)CC3)n1)C1CCN(C(=O)OC(C)(C)C)CC1,GZTBYWPPBMNVKF-UHFFFAOYSA-N
-rxn:4:213214:222882,CCN1CCN(c2cc(C(=O)OC(C)(C)C)cc(-c3cc(F)ccc3C(=O)NC(C)(C)C)n2)CC1,OPGQGLWCZGRDJO-UHFFFAOYSA-N
-rxn:4:213220:225138,CC1CN(c2ccc(-c3ccn(-c4ccnc(C5CC5)c4)n3)cc2[N+](=O)[O-])CCN1C(=O)OC(C)(C)C,BWPFLHNCRPPSDL-UHFFFAOYSA-N
-rxn:4:213257:224835,Cc1nn(CC2CCN(C(=O)OC(C)(C)C)CC2)c(C)c1-c1cc(C(F)(F)F)nn1S(=O)(=O)N(C)C,YFIYAIXBZZVDCM-UHFFFAOYSA-N
-rxn:4:213260:223576,CC(C)(C)OC(=O)N1CCC(Oc2cccc(-c3cnc(OCC4CCCN(CC5CCS(=O)(=O)CC5)C4)nc3)c2)CC1,BNYYNHVQCCOILD-UHFFFAOYSA-N
-rxn:4:213262:222538,CN(C)c1ccc(C(=S)N2CCN(C(=S)c3ccc(-c4cc(C5CCCC5)nc(C5CCNCC5)c4)cc3)CC2)cc1,HHYJUSNVLDQPEC-UHFFFAOYSA-N
-rxn:4:213262:225827,CN1CCN(c2cc(-c3ccc(C(=S)N4CCN(C(=S)c5ccc(N(C)C)cc5)CC4)cc3)ccn2)CC1,YPNBVMZZYOBAMH-UHFFFAOYSA-N
-rxn:4:213263:225898,CN(C)c1ccc(C(=S)N2CCN(C(=S)c3cccc(-c4cnn(CCN5CCOCC5)c4)c3)CC2)cc1,HISUTQIBGFVUOC-UHFFFAOYSA-N
-rxn:4:213281:227159,Cc1ccc(-c2cccnc2OC2CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)CC2)c2nccnc12,SDEUBAGSNVSDJJ-UHFFFAOYSA-N
-rxn:4:213289:222692,CC(C)(C)OC(=O)N1CCC(c2nc(C(C)(C)C)ncc2-c2ccc(F)c(C(=O)Nc3ccccn3)c2)CC1,OWOGJQNKGBNENT-UHFFFAOYSA-N
-rxn:4:213289:225210,Cc1nc(N2CCC(C)CC2)ncc1-c1cnc(C(C)(C)C)nc1C1CCN(C(=O)OC(C)(C)C)CC1,NFEWGBUGYQWCFU-UHFFFAOYSA-N
-rxn:4:213337:224759,CCCCC(=O)N1CCN(c2nc3ccc(-c4cc(F)cc(C(=O)N5CCOCC5)c4)cc3s2)CC1,MYZUQQMEZNYLPA-UHFFFAOYSA-N
-rxn:4:213355:222746,CC(C)CS(=O)(=O)C1CN(C(=O)c2c3ccc(-c4ccc(CNC(=O)OC(C)(C)C)cc4)cc3nn2C)C1,JJAXJBVFZRCJKD-UHFFFAOYSA-N
-rxn:4:213381:224194,CCN1CCN(Cc2ccc(-c3ccc(C(=O)Oc4ccc5nc(N6CCN(CC)CC6)sc5c4)cc3)cc2Cl)CC1,BKYCNJNSACVDLF-UHFFFAOYSA-N
-rxn:4:213395:223062,O=C(Cn1ccc2ccc(-c3cnc(C4CCNCC4)cc3F)cc21)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1,JXTPVCGEWMOMJY-UHFFFAOYSA-N
-rxn:4:213480:222510,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4cc(F)cc(C(=O)Nc5ccc(C)cc5Cl)c4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,OCHLOJNGBNMSKM-NGEXIDCFSA-N
-rxn:4:213765:223593,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cncc(C4CCN(C(=O)OC(C)(C)C)C4)n3)cc2Cl)CC1,NQBYYTYAXJWCPH-UHFFFAOYSA-N
-rxn:4:213786:222741,Cn1ccnc1S(=O)(=O)C1CN(S(=O)(=O)c2ccccc2-c2cc(C3CC3)nc(C3CCCNC3)c2)C1,JYPKFJCMEIFQFA-UHFFFAOYSA-N
-rxn:4:213792:223712,COc1ccc(-c2ccc(S(=O)(=O)c3nnn(-c4cccc(C(F)(F)F)c4)c3C)cc2)cc1C12CC3CC(CC(C3)C1)C2,YHSDMWYETIWJRU-UHFFFAOYSA-N
-rxn:4:213875:225709,CN(C)CCCOc1ccc(-c2cccc(N3CCN(C(=O)OC(C)(C)C)CC3)n2)cn1,YWOBDHHAYICQPD-UHFFFAOYSA-N
-rxn:4:213883:226118,CCC(C)Oc1ccc(-c2sc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2C)cc1C,BWHDJUADEAGGMQ-UHFFFAOYSA-N
-rxn:4:213894:222887,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cccc(C(=O)N4CCNCC4)c3)cn2)CC1,QMMOBPOOAGHHRV-UHFFFAOYSA-N
-rxn:4:213969:223180,CONC(=O)c1ccc(-c2ccc(C(=O)N3CCC(N4CC(=O)N(C5CC5)C4=O)CC3)o2)cc1F,VDHNSWAPAZLAON-UHFFFAOYSA-N
-rxn:4:214005:228280,COc1cc(-c2cccc(C(=O)N3CCN(C(=O)N4CCOCC4)CC3)c2)c(C)cc1Cl,CWOVIRLUEWBRIU-UHFFFAOYSA-N
-rxn:4:214011:223844,Cc1nn(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCCC4)cc3C(F)(F)F)cc2)c(C)c1S(=O)(=O)N1CCCC1,HSAFIVQDGULWFV-UHFFFAOYSA-N
-rxn:4:214024:224465,O=C(C1CCC(F)(F)CC1)N1CCC(Oc2ncc(-c3ccc(C#Cc4ccc(Cl)cc4)cc3)cn2)CC1,ABIUUKQRMWQMEP-UHFFFAOYSA-N
-rxn:4:214033:223859,CC(C)[C@H]1COC(c2cc(-c3ccc(CN4CCCc5ccccc54)cc3)cc(C3=N[C@@H](C(C)C)CO3)n2)=N1,YTWCVJSSMBKZPD-LOYHVIPDSA-N
-rxn:4:214033:226139,CC(C)[C@H]1COC(c2cc(-c3cc(C4CC4)cnc3C3CC3)cc(C3=N[C@@H](C(C)C)CO3)n2)=N1,KYNSPCAOTWNPKN-JWQCQUIFSA-N
-rxn:4:214046:222912,CC(C)CNS(=O)(=O)c1ccc(-c2ccc(N3C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@@H]3C)nc2)cc1,AZBAQHFPHIJRIW-VQTJNVASSA-N
-rxn:4:214051:225454,CC(C)c1sc(-c2ccc(C3=CCN(C)CC3)cc2)nc1C(=O)N1CCN(C2CCS(=O)(=O)C2)CC1,OHKHYXXHWGSHAC-UHFFFAOYSA-N
-rxn:4:214062:225363,CCN1CCN(Cc2ccc(-c3ccc(C(=O)N4CC(F)(F)C4)nc3)cc2N2CCOCC2)CC1,KBKCMMVZUGKDIK-UHFFFAOYSA-N
-rxn:4:214089:223577,CCOC(=O)Cc1cn2nc(-c3ccc(OC4CCN(C(=O)OC(C)(C)C)CC4)cc3)ccc2n1,CCVRHSOCAQFZAO-UHFFFAOYSA-N
-rxn:4:214196:224426,CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1cncc(-c2cc(C3CCCCC3)cc(C3CC3)c2)c1,PWSBBGZHGXBUIW-UHFFFAOYSA-N
-rxn:4:214212:222546,O=C(c1cc2ccccc2[nH]1)N1CCN(C(=O)c2ccc(-c3ccc(OCCNC4CCCCC4)c(F)c3)o2)CC1,VZVRNXZFNHNPSS-UHFFFAOYSA-N
-rxn:4:214240:223536,Cc1nc(SCc2ccccc2)nc2c1CCN2c1ccc(-c2cc(F)c(F)c(N3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1,QFRJRSFWVBFRBQ-UHFFFAOYSA-N
-rxn:4:214254:224485,CC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2cnc3c(cnn3[Si](C(C)C)(C(C)C)C(C)C)c2)c1,QSWRTRWINJJTPR-UHFFFAOYSA-N
-rxn:4:214256:225553,CC(C)N(C)C(=O)c1ccc(-c2nn(C3CCOC3)c3c2CN(C(=O)OC(C)(C)C)CC3)cc1,ZQOWVHCFMDJVRX-UHFFFAOYSA-N
-rxn:4:214273:222810,CC(C)(C)OC(=O)Nc1cc(-c2ccc3ncn(C4CCN(C(=O)OC(C)(C)C)CC4)c3c2)c(Cl)cn1,OZCZTXPSGRCHDL-UHFFFAOYSA-N
-rxn:4:214273:223940,CC(C)(C)OC(=O)N1CCC(n2cnc3ccc(-c4ccc5c(c4)OCCN5C(=O)OC(C)(C)C)cc32)CC1,QUBFNUGIKFHROJ-UHFFFAOYSA-N
-rxn:4:214349:223570,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc(C(=O)N4CCC(Cn5nc6c(cc5=O)CCCC6)CC4)cc3)c(F)ncc21,PYPTUXKDFHQPGL-UHFFFAOYSA-N
-rxn:4:214390:224193,CCOc1ccc(C2=NN3C(C2)c2cc(-c4ccc(F)c(CN5CCN(CC)CC5)c4)ccc2OC32CCN(C(C)=O)CC2)cc1,SKOCABRWBCSPKS-UHFFFAOYSA-N
-rxn:4:214477:222637,CC(NC(=O)OC(C)(C)C)c1ccc(-c2cn(S(=O)(=O)N(C)C)nc2C(F)(F)F)cc1,YHTBDSXHQSAFEH-UHFFFAOYSA-N
-rxn:4:214630:223570,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3c(C4CC4)n[nH]c3C(=O)N3CCOCC3)c(F)ncc21,HEUJJRLOQKETJB-UHFFFAOYSA-N
-rxn:4:214638:223917,CN(C(=O)c1cc(F)cc(-c2cnc(N3CCC(C(F)(F)F)CC3)c([N+](=O)[O-])c2)c1)C1CCCCC1,JBYIBOZMNKGPTB-UHFFFAOYSA-N
-rxn:4:214683:224398,CCN1CCN(C(=O)c2ncc(-c3cc(S(=O)(=O)N4CCCC4)c(C)cc3F)cc2Cl)CC1,GHPOZPMCHNBAMO-UHFFFAOYSA-N
-rxn:4:214715:222732,CCN1CCN(c2cc(-c3ccc(C(=O)NC4CCCCC4)cc3)cc(F)c2[N+](=O)[O-])CC1,PEHYPQIRWHNHQH-UHFFFAOYSA-N
-rxn:4:214742:224191,COc1ccc(O[Si](C)(C)C(C)(C)C)cc1-c1cc(N2CCC(N(C)C)CC2)ccc1C#N,RVQQYLGEJDPLEV-UHFFFAOYSA-N
-rxn:4:214745:224194,CCN1CCN(Cc2ccc(-c3ccc(C#N)c(N4CCC(N(C)C)CC4)c3)cc2Cl)CC1,AZWIAGSDAGPZMH-UHFFFAOYSA-N
-rxn:4:214762:222538,CC(C)N1CCN(Cc2ccc(-c3cc(C4CCCC4)nc(C4CCNCC4)c3)nc2)CC1,SRKXBDPIFGMQKT-UHFFFAOYSA-N
-rxn:4:214802:223028,CCCNC(=O)c1ccc(F)c(-c2cccnc2N2CCOC(C(=O)N3CCCC3)C2)c1,FXWZPXULFWPGLM-UHFFFAOYSA-N
-rxn:4:214818:223028,CCCNC(=O)c1ccc(F)c(-c2cnc(N3CCN(C(=O)C4CCCO4)CC3)c(Cl)c2)c1,LNUNMXKHQMBFLQ-UHFFFAOYSA-N
-rxn:4:214818:224672,CCN1CCN(c2ccc(-c3cnc(N4CCN(C(=O)C5CCCO5)CC4)c(Cl)c3)c(Cl)c2)CC1,IWBBITNVYJUGSU-UHFFFAOYSA-N
-rxn:4:214820:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cnc(N4CCOC(C(=O)N5CCCC5)C4)c(F)c3)c2Cl)CC1,FZUDYIWBQBTZRV-UHFFFAOYSA-N
-rxn:4:214822:223911,CCOC(=O)C1(c2ccc(-c3ccc(N4C(=O)CC(Cn5nc(C)cc5C)C4=O)cc3)cc2)CCOCC1,AQTKLUJJLNYUQO-UHFFFAOYSA-N
-rxn:4:214829:225518,CCCCCOc1ncc(C)cc1-c1cccnc1N1CCOC(C(=O)N2CCSCC2)C1,DRILGVMKJMFSHQ-UHFFFAOYSA-N
-rxn:4:214839:222586,O=C(NCCc1ccc(F)cc1)c1ccc(-c2cnc(N3CCOC(C(=O)N4CCSCC4)C3)c(F)c2)s1,NTJVJRRGMJLEHX-UHFFFAOYSA-N
-rxn:4:214858:222694,Cn1ccc(C2CCCN(S(=O)(=O)c3ccccc3-c3cccc(S(=O)(=O)NC4CCCCC4)c3)C2)n1,CCCDUJONRAXOIV-UHFFFAOYSA-N
-rxn:4:214862:226842,O=C(c1cncc(-c2cncc(C(=O)C(F)(F)F)c2)c1)N1CCCN(C2CCSC2)CC1,UQAYRKMBUZFBTD-UHFFFAOYSA-N
-rxn:4:214867:224357,COc1nc2ccc(C(F)(F)F)cc2cc1-c1cnc(N2CCOC(C(=O)N3CCCC3)C2)c(C)c1,ONFPEBVJQXINCQ-UHFFFAOYSA-N
-rxn:4:214868:226086,CCCCCOc1cccc(-c2cccnc2N2CCOC(C(=O)N3CCCCC3)C2)c1,CXNWNTMIWXIFFJ-UHFFFAOYSA-N
-rxn:4:214870:223028,CCCNC(=O)c1ccc(F)c(-c2cc(Cl)cnc2N2CCCC(C(=O)N3CCOCC3)C2)c1,WYNRBTGKXHWKSE-UHFFFAOYSA-N
-rxn:4:214872:224672,CCN1CCN(c2ccc(-c3cc(Cl)cnc3N3CCOC(C(=O)N4CCCCC4)C3)c(Cl)c2)CC1,KSDVJYKKZUIVHS-UHFFFAOYSA-N
-rxn:4:214872:226222,CCCCCOc1ccc(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCCCC3)C2)cn1,JDFPBPWRBXSIEH-UHFFFAOYSA-N
-rxn:4:214875:226259,CCCCOc1ccc(-c2cnc(N3CCCC(C(=O)N4CCSCC4)C3)c(F)c2)cc1Cl,PBBVNNLFAALXCA-UHFFFAOYSA-N
-rxn:4:214880:226259,CCCCOc1ccc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)c(C)c2)cc1Cl,FODZVXIHTKMPAF-UHFFFAOYSA-N
-rxn:4:214896:226476,CCCCOc1ncc(-c2cnc(N3CCC(C(=O)N4CCC(F)(F)CC4)CC3)c(C)c2)cc1Cl,KHMJHLMPYQGHQO-UHFFFAOYSA-N
-rxn:4:215096:224493,CC1c2cnc(-c3ccc(CO[Si](C)(C)C(C)(C)C)cc3)n2CCN1C(=O)OC(C)(C)C,HGOWPSMINCDTOK-UHFFFAOYSA-N
-rxn:4:215097:224712,CC(=O)OC(OC(C)=O)c1ccc(-c2ncc3n2C(C)CN(C(=O)OC(C)(C)C)C3)cc1,LJDZWCAIQZLXEC-UHFFFAOYSA-N
-rxn:4:215099:224082,CCC(C(=O)OC(C)(C)C)c1cccc(-c2cnn3c2CN(C(=O)OC(C)(C)C)[C@H](C)C3)c1,GMVLHMUXOGJKRM-DIAVIDTQSA-N
-rxn:4:215100:224167,CN(Cc1ccc(-c2cnc3n2CCN(C(=O)OC(C)(C)C)CC3)cc1)C(=O)OC(C)(C)C,NXVFDSWFMHBNPD-UHFFFAOYSA-N
-rxn:4:215102:223888,CC(C)(C)OC(=O)N1CCc2nc(-c3ccc4c(c3)N(C(=O)OC(C)(C)C)CCC4)cn2CC1,IGSFVFKTYDTDLU-UHFFFAOYSA-N
-rxn:4:215150:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2ccc3nc(N4CCN(C(=O)C(C)C)CC4)sc3c2)cc1,IQSGBDSFMDEUKI-UHFFFAOYSA-N
-rxn:4:215216:226554,CCCOc1cc(F)c(-c2ccc3nc(N4CCCC(C(=O)N5CCOCC5)C4)sc3c2)cc1F,LTTBITSLLQQUSS-UHFFFAOYSA-N
-rxn:4:215389:223539,COc1ccc(-c2cnn(C3(C(F)(F)F)CC3)n2)cc1S(=O)(=O)N1CCC2(CC1)OCCO2,FGTPJQBDDSCLLE-UHFFFAOYSA-N
-rxn:4:215798:222607,C=C1CCN(c2ncc(-c3ccc(NC4CCN(S(C)(=O)=O)CC4)cc3)cc2C#N)CC1,OXICMAZPMVNEQX-UHFFFAOYSA-N
-rxn:4:215909:223842,CC1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2cc([N+](=O)[O-])c(N3CCN(C)CC3)cc2F)CC1,LNAXZMLNHFBYQL-UHFFFAOYSA-N
-rxn:4:215914:222612,Cc1nc(N2CCC(C(F)(F)F)CC2)ncc1-c1cc(S(=O)(=O)N2CCC(O)CC2)ccc1F,KVECSVXCMWLHKF-UHFFFAOYSA-N
-rxn:4:215926:222465,c1c(-c2cc(N3CCCCC3)nc(C3CC3)n2)cc(C2CCCNC2)nc1C1CCCCC1,UDPCXPIQQBULBC-UHFFFAOYSA-N
-rxn:4:215950:223980,CCN1CCN(c2ncc(C)cc2-c2cccc(S(=O)(=O)N3CCN(CC)CC3)c2)CC1,ZAFUNKSNHGEXJB-UHFFFAOYSA-N
-rxn:4:216293:222514,COc1ccc(-c2ccccc2S(=O)(=O)N2C3CCC2c2cncnc2C3)cc1S(=O)(=O)NC1CCCCC1,LSKUWTWDISNMLS-UHFFFAOYSA-N
-rxn:4:217149:223499,C=C1CCCN(c2ncc(-c3ccc(Cl)c(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c3)cn2)C1,LZRWVRBYVPQWEV-UHFFFAOYSA-N
-rxn:4:217173:223481,CC1CCCN(c2ccnc(-c3ccc(S(=O)(=O)N4CCC(O[Si](C)(C)C(C)(C)C)CC4)cc3F)n2)C1,UFDQSDJAPKPQKI-UHFFFAOYSA-N
-rxn:4:218581:223772,COc1ccc2cc(-c3cnc(OCC4CCN(C(=O)Cc5cccnc5)CC4)nc3)n(C(=O)OC(C)(C)C)c2c1,SILZZYQXJJAKOD-UHFFFAOYSA-N
-rxn:4:218583:224288,CN(C(=O)OC(C)(C)C)c1ccc(-c2cnc(OCC3CCN(Cc4ccc(C#N)cc4)CC3)nc2)c(Cl)c1,ZFVGFUWIKQOVAY-UHFFFAOYSA-N
-rxn:4:218666:224718,CC(C)(C)c1ccc(OCC2CCN(C(=O)c3cncc(-c4ccc(OCCN5CCOCC5)nc4)c3)C2)nn1,BWHOALNZDULJTB-UHFFFAOYSA-N
-rxn:4:218696:225564,COC(=O)C(C)(C)c1cccc(-c2c(C)nn(C(C)CC(=O)N3CCN(S(=O)(=O)c4ccccc4)CC3)c2C)c1,DHVOUYYJKQKNNG-UHFFFAOYSA-N
-rxn:4:218705:222405,CC(Oc1ccc(Cl)cc1)C(=O)N1CCCN(c2cc(-c3ccc(-c4cccc(C5NC(=O)NC5=O)c4)cc3)n[nH]2)CC1,NDEQKTUMRSJSEB-UHFFFAOYSA-N
-rxn:4:218711:227727,CC(C)(C)OC(=O)N1CCN(C2CCN(c3ccc([N+](=O)[O-])cc3-c3ccc(-n4cncn4)nc3)CC2)CC1,RRPBDCCRPIFVIS-UHFFFAOYSA-N
-rxn:4:218824:222693,CN(CC1CN(c2ncc(-c3ccc(S(=O)(=O)NC4CCCCC4)cc3)cn2)C1)S(=O)(=O)C1CC1,YCPCOTUVFWLSGK-UHFFFAOYSA-N
-rxn:4:218867:224868,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3cccc(OCC4CCCCC4)c3)c2)no1,KJLAVUGGIHUTSY-UHFFFAOYSA-N
-rxn:4:218867:225688,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3cnc(C4CCCCC4)c(Cl)c3)c2)no1,UIZLWRKSUPOEFV-UHFFFAOYSA-N
-rxn:4:218868:222944,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3ccc(S(=O)(=O)NC4CC4)cc3F)cc2)no1,GTIUOANXYNJLRZ-UHFFFAOYSA-N
-rxn:4:218868:223138,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3ccnc(C4CCNCC4)c3)cc2)no1,KGPLVOUOBADOFN-UHFFFAOYSA-N
-rxn:4:218868:224849,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3cc(C4CCCC4)cc(C4CC4)c3)cc2)no1,NOBXRTRIFCWNRK-UHFFFAOYSA-N
-rxn:4:218868:225613,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3ccnc(OC4CCCCC4)c3)cc2)no1,OXAAYYBPFSXHSE-UHFFFAOYSA-N
-rxn:4:218868:225654,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3ccc(N4CCCC(C)C4)nc3)cc2)no1,MCHIHBADJSKCKS-UHFFFAOYSA-N
-rxn:4:218868:225688,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3cnc(C4CCCCC4)c(Cl)c3)cc2)no1,ZESQDGLAWRQSBL-UHFFFAOYSA-N
-rxn:4:218868:225859,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3cnc(N4CCCCC4)c(Cl)c3)cc2)no1,FOQIPVIIVOISRI-UHFFFAOYSA-N
-rxn:4:218868:226366,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3ccnc(N4CCCCC4)c3)cc2)no1,UAMQNZVZXKVEEE-UHFFFAOYSA-N
-rxn:4:218881:224196,CCN1CCN(Cc2cc(F)cc(-c3cnc(OCC4CCCN(C(=O)c5ccncc5)C4)nc3)c2)CC1,VSNSLRSKYNJJFU-UHFFFAOYSA-N
-rxn:4:218894:224716,CN(C(=O)OC(C)(C)C)c1ccc(-c2cnc(N3CCC(COc4ccncc4Cl)CC3)c(C#N)c2)cn1,CUGJYEWSTLLLEN-UHFFFAOYSA-N
-rxn:4:218917:227878,CCCCCc1ccc(-c2cnc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)nc2)s1,JKBLFLRCIJTHNQ-UHFFFAOYSA-N
-rxn:4:218944:223084,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3cnc(N4CCC(O)CC4)nc3)cc2[N+](=O)[O-])CC1,TUTJGGNBFYFSEW-UHFFFAOYSA-N
-rxn:4:218946:224359,CCN(CC)C(=O)c1cc(-c2ccc(CC(=O)N(C)C3CN(c4ccc(C)nn4)C3)cc2)cc([N+](=O)[O-])c1,QOMMLQLRILJQKW-UHFFFAOYSA-N
-rxn:4:218969:224060,COc1c(C(C)(C)C)cc(-c2cnc(OC3CCN(C(=O)c4cccc(N(C)C)c4)C3)nc2)cc1C(C)(C)C,OPNJVPBXPIYFRH-UHFFFAOYSA-N
-rxn:4:218972:225172,Cc1nc(C)c(C(=O)N2CCCC(COc3ncc(-c4cc(CN5CCOCC5)ccc4F)cn3)C2)s1,STDHMHJTVKEVQS-UHFFFAOYSA-N
-rxn:4:218994:223595,Cc1nc(C)c(CN2CCCC(COc3ncc(-c4ccc(N5CCN(C(=O)OC(C)(C)C)CC5)c(F)c4)cn3)C2)s1,DXOXKRPRFXQNHW-UHFFFAOYSA-N
-rxn:4:219012:226755,COC(=O)c1cc(-c2cnc(N(C)C3CCCN(C(=O)OC(C)(C)C)C3)nc2)c(Cl)cc1F,SGNCEMBJVJNMGN-UHFFFAOYSA-N
-rxn:4:219013:227231,CCCOc1ncc(-c2cncc([N+](=O)[O-])c2N2CCN(C(=O)OC(C)(C)C)C(C)C2)cc1C,WGDVVUURVGWDDD-UHFFFAOYSA-N
-rxn:4:219043:226481,COc1ccc(-c2cn(C)nc2CN2CCN(C(=O)OC(C)(C)C)C(C)C2)cc1OCC#N,PNTMHJVTOFGSKC-UHFFFAOYSA-N
-rxn:4:219061:222580,CS(=O)(=O)N1CCC(C(=O)N2CCCC(Oc3ncc(-c4ccc(S(=O)(=O)NC5CC5)c5ccccc45)cn3)C2)CC1,SWHJXDPCRRJWBO-UHFFFAOYSA-N
-rxn:4:219096:225521,CCCCOc1cc(-c2cnn(CC3CN(C(=O)CN4C(=O)c5ccccc5C4=O)C3)c2)ccc1OC,KBSGQBZJSIEDPO-UHFFFAOYSA-N
-rxn:4:219119:225852,CC(=O)C(C)n1c(-c2cnc(C3CCCCC3)nc2Cl)nc2c1c(=O)n(CCC(C)C)c(=O)n2C,DUJREYWWCLMARI-UHFFFAOYSA-N
-rxn:4:219126:222791,CC(C)(C)OC(=O)Nc1ccc(Cl)c(-c2ccccc2CCC(=O)N2C3CCC2CC(n2cncn2)C3)c1,QEYAYRIAIPPFTJ-UHFFFAOYSA-N
-rxn:4:219129:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cnc(OCC4CCCN(Cc5nc6c(s5)CCC6)C4)nc3)ccn2)CC1,NEUQSZOBMJRCFW-UHFFFAOYSA-N
-rxn:4:219207:226525,CCCOc1ccc(-c2ccc(-c3csc(N4CCN(CCN5C(=O)C6C7C=CC(C7)C6C5=O)CC4)n3)cc2)c(F)c1F,YSQQBJRQUHUWAD-UHFFFAOYSA-N
-rxn:4:219343:223755,CC1CCN(CCCOc2ccc(-c3cnccc3OC3CCN(c4nnc(C5CC5)s4)C3)cc2F)CC1,QQXYJIGGLMAAPP-UHFFFAOYSA-N
-rxn:4:219353:224325,CN(C)S(=O)(=O)N1CCC(Oc2ncc(-c3ccc(C4=CCN(S(C)(=O)=O)CC4)cc3)cn2)CC1,GNRSCEKYQMPKKV-UHFFFAOYSA-N
-rxn:4:219364:222584,O=C(c1cncc(-c2ccc(OCCCN3CCNCC3)c(F)c2)c1)N1CCCC(Oc2ncc(Cl)cn2)C1,ALEQQYPRTBOLNF-UHFFFAOYSA-N
-rxn:4:219372:224197,CCN1CCN(Cc2ccc(-c3nn[nH]c3C3CCN(C(=O)OC(C)(C)C)CC3)cc2F)CC1,ISBWGNMLYXKXEE-UHFFFAOYSA-N
-rxn:4:219381:224916,CSc1ncc(-c2ccc(N3CCCC(C)C3)cc2C)c(N2CCN(S(=O)(=O)C3CC3)CC2)n1,QGBGPNSTTWCBDN-UHFFFAOYSA-N
-rxn:4:219401:223970,Cc1ccc(-c2nnc(N3CCCN(C(=O)OC(C)(C)C)CC3)s2)cc1S(=O)(=O)N1CCC(C)CC1,MPPGNXXQNTXVDE-UHFFFAOYSA-N
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-rxn:4:219426:222520,CC(C)(C)OC(=O)Nc1cc(-c2cnc(N3CCN(CCc4ccccc4)CC3)nc2)ccc1C(F)(F)F,TXKGZHXRADLKKM-UHFFFAOYSA-N
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-rxn:4:219452:224157,Cc1nc(-c2cn(C(=O)OC(C)(C)C)c3ccccc23)n(C2CCN(C(=O)OC(C)(C)C)CC2)n1,HBGRMYNFWKXROB-UHFFFAOYSA-N
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-rxn:4:219497:227488,CSCOc1ccc(-c2cnc(N3CCOC(C(=O)N4CCCCC4)C3)c(C#N)c2)cc1F,XOGJSKMJJMAINW-UHFFFAOYSA-N
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-rxn:4:219766:224375,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cncc(C(=O)N3CCC(Cn4nc5c(cc4=O)CCCC5)CC3)c2)cc1,RULDHUKDAFLJBL-UHFFFAOYSA-N
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-rxn:4:219904:224319,Cc1cc(S(=O)(=O)N2CCCCC2)ccc1-c1cnc(C2CCN(S(=O)(=O)N(C)C)CC2)cn1,YIDZAZOEOICLEO-UHFFFAOYSA-N
-rxn:4:219904:224975,CCN1CCN(c2ccc(-c3cnc(C4CCN(S(=O)(=O)N(C)C)CC4)cn3)cc2)CC1,GDWASDYGPDZAIT-UHFFFAOYSA-N
-rxn:4:219932:223640,CCOC12C(=O)c3cc(F)cc(-c4ccccc4CN4CCN(c5ccncn5)CC4)c3C(=O)C1C2(C)C,SRZCIJDVNADDJB-UHFFFAOYSA-N
-rxn:4:219959:223118,CCCC(=O)Nc1cccc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)nc2)c1,FADVFPZHQJNNPU-UHFFFAOYSA-N
-rxn:4:219975:222684,O=C(C1CN(c2ncc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)cn2)CCO1)N1CCCCC1,CMXCYDKRQKIBCI-UHFFFAOYSA-N
-rxn:4:219988:223165,CC(=O)Nc1ccc(-c2cnc(N3CCCC(C(=O)N4CCOCC4)C3)nc2)c(Cl)c1C,YTCHEAMYPNCZLL-UHFFFAOYSA-N
-rxn:4:220040:223591,CC(C)(C)OC(=O)N1CCN(c2ccc(F)c(-c3nc4n(n3)CCN(C(=O)OC(C)(C)C)C4)c2)CC1,AWDIHJCXSMCIAE-UHFFFAOYSA-N
-rxn:4:220112:223697,Cn1c(=O)c2c(nc(-c3ccc(S(=O)(=O)N4CCCCC4)cc3C(F)(F)F)n2CC=Cc2ccccc2)n(C)c1=O,CMUKNLSZKNECMJ-UHFFFAOYSA-N
-rxn:4:220128:223649,CC(C)(C)OC(=O)N1CCN(c2cccc(-c3cnccc3OC3CCN(c4cc(=O)n5ccccc5n4)C3)c2)CC1,MGCTZQVTTFUOTD-UHFFFAOYSA-N
-rxn:4:220136:224161,CC(C)(C)OC(=O)N1Cc2ccc(-c3ccc4ncnc(N5CCN(S(=O)(=O)C6CC6)CC5)c4c3)cc2C1,OBOXOPYNXQZYSW-UHFFFAOYSA-N
-rxn:4:220141:224733,Cn1nc2cc(-c3ccc(OC(F)F)c(OC4CCC4)c3)ccc2c1C(=O)N1CCC(N2C(=O)CSC2=O)C1,KEIJGYSFQLLVGF-UHFFFAOYSA-N
-rxn:4:220154:223679,CCN1CCN(S(=O)(=O)c2c(C)cc(-c3ccccc3C(=O)N3Cc4cnc(N5CCOCC5)nc4C3)cc2C)CC1,RONWIKIAGXMOFX-UHFFFAOYSA-N
-rxn:4:220222:224672,CCN1CCN(c2ccc(-c3ccc(C)c(C(=O)N4CCN(c5cc6c(nn5)CCC6)CC4)c3)c(Cl)c2)CC1,WHGAJAQUHLNQRO-UHFFFAOYSA-N
-rxn:4:220267:222899,CCCCNS(=O)(=O)c1ccc(-c2ccc(C(=O)N3c4ccccc4N4C(c5c(C)c(C)cc(C)c5C)=NON34)cc2)cc1,CMUOXAWUOXEOAP-UHFFFAOYSA-N
-rxn:4:220441:223522,CC(C)n1nnc2cc(C#N)cc(-c3cc(F)cc(N4CCC(O[Si](C)(C)C(C)(C)C)CC4)c3)c21,HVKODAXYWQFRBX-UHFFFAOYSA-N
-rxn:4:220444:223660,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cnc4[nH]nc(C(=O)N5CCC5)c4c3)s2)CC1,ICFBUHRFVSUXAU-UHFFFAOYSA-N
-rxn:4:220519:223660,CCN1CCN(c2ncnc3ccc(-c4ccc(CN5CCN(C(=O)OC(C)(C)C)CC5)s4)cc23)CC1,DHNLLJCDCCDMNY-UHFFFAOYSA-N
-rxn:4:221098:226231,CCCCOc1ncc(-c2cnc(OCC3CCN(C(=O)c4cn(C)nc4C(F)F)CC3)nc2)cc1C,NYYVYYWCXLKQIY-UHFFFAOYSA-N
-rxn:4:221100:224759,COc1nn(C)cc1C(=O)N1CCC(COc2ncc(-c3cc(F)cc(C(=O)N4CCOCC4)c3)cn2)CC1,ZTPBPIVDVGXDBE-UHFFFAOYSA-N
-rxn:4:221103:223598,Cc1cc(=O)n(CC(=O)N2CCCC(COc3ncc(-c4ccc(OCCN5CCC6(CC5)OCCO6)c(F)c4)cn3)C2)cn1,MRPGOFPFOYKRET-UHFFFAOYSA-N
-rxn:4:221112:222630,CCOc1ccc(-c2cc(C3CCC3)nc(C3CCNCC3)c2)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N(C)C)n2)CC1,KWSWMNHNCVGVHO-UHFFFAOYSA-N
-rxn:4:221112:227226,CCOc1ccc(-c2cccnc2OCC(C)C)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N(C)C)n2)CC1,VIGXENTUXJUQKN-UHFFFAOYSA-N
-rxn:4:221114:226532,CCOC(=O)c1cc(F)cc(-c2ccc(OCC)c(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCCC5)n4)CC3)c2)c1,WZYVXWKVNDZYHL-UHFFFAOYSA-N
-rxn:4:221152:223695,Cc1nnsc1C(=O)N1CCCC(COc2ncc(-c3cccc(S(=O)(=O)N4CCC5(CC4)OCCO5)c3)cn2)C1,MCQJGYYLUUCTFV-UHFFFAOYSA-N
-rxn:4:221175:223960,CCN1CCN(C(=O)c2cc(-c3cnc(OC4CCN(C(=O)N5CCN(CC)C(=O)C5=O)C4)nc3)ccc2F)CC1,IGELNYAKPMPBRX-UHFFFAOYSA-N
-rxn:4:221175:224487,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4cccc(OCCN5CCCCC5)c4)cn3)C2)C(=O)C1=O,VLZFVPACSBVGAK-UHFFFAOYSA-N
-rxn:4:221205:222459,O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc(F)c(-c2ccc(CCN3CCN(c4ccnc(N5CCOCC5)n4)CC3)cc2)c1,VZEYJXQAEREGGX-UHFFFAOYSA-N
-rxn:4:221206:224274,CC(C)(C)OC(=O)n1c(-c2ccc(CCN3CCN(c4cc(N5CCOCC5)ncn4)CC3)cc2)cc2cnccc21,GHNMSDILJHHOII-UHFFFAOYSA-N
-rxn:4:221209:223591,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4cc(N5CCN(C(=O)OC(C)(C)C)CC5)ccc4F)cc3)CC2)n1,AAXWOCSTQNTPBO-UHFFFAOYSA-N
-rxn:4:221249:223002,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc4c(-c5ccc(C6CCNCC6)cc5F)cnn4c3)cc2)CC1,PZZJAVUUZVCBGC-UHFFFAOYSA-N
-rxn:4:221341:223842,CC1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2cnc(OCC3CCCN(c4cnccn4)C3)nc2)CC1,YUIICCOLMRNZOX-UHFFFAOYSA-N
-rxn:4:221345:222546,Fc1cc(-c2cnc(OCC3CCN(c4ncc(Cl)cn4)CC3)nc2)ccc1OCCNC1CCCCC1,WZCONHZMLKZDNI-UHFFFAOYSA-N
-rxn:4:221369:224618,Cn1nc(C(=O)N2CCCC(Oc3ncc(-c4ccnc(CO[Si](C)(C)C(C)(C)C)c4)cn3)C2)ccc1=O,CJKCOJFYHLXTOB-UHFFFAOYSA-N
-rxn:4:221369:224620,Cn1nc(C(=O)N2CCCC(Oc3ncc(-c4ccc(CO[Si](C)(C)C(C)(C)C)nc4)cn3)C2)ccc1=O,POKFPZVCJPBDAR-UHFFFAOYSA-N
-rxn:4:221395:223523,CCN1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCC(Cn5cnc(C6CC6)cc5=O)CC4)nc3)c3ccccc23)CC1,VDWHACYUUBPZLU-UHFFFAOYSA-N
-rxn:4:221398:224289,CN1CCN(C(=O)N2CCC(Oc3ncc(-c4ccc(N(C)C(=O)OC(C)(C)C)cc4F)cn3)CC2)CC1,JMGNXYDQHNIKAD-UHFFFAOYSA-N
-rxn:4:221403:222465,CN(C)c1ccnc(N2CCN(Cc3ccccc3-c3cc(C4CCCCC4)nc(C4CCCNC4)c3)CC2)n1,BWWYGJVHZXCEPG-UHFFFAOYSA-N
-rxn:4:221403:224065,CC1CCN(c2cc(-c3ccccc3CN3CCN(c4nccc(N(C)C)n4)CC3)cc(C3CC3)c2)CC1,JUCBBNLQCXIXPS-UHFFFAOYSA-N
-rxn:4:221404:223787,CN1CCN(CCCOc2ccc(-c3cccc(CN4CCN(c5ccnc(N(C)C)n5)CC4)c3)cc2F)CC1,FEPIABZIHRHARF-UHFFFAOYSA-N
-rxn:4:221404:223839,COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cccc(CN2CCN(c3ccnc(N(C)C)n3)CC2)c1,RYOHIFBUUPVFFD-UHFFFAOYSA-N
-rxn:4:221410:222538,CN(C)c1cc(N2CCN(Cc3ccc(-c4cc(C5CCCC5)nc(C5CCNCC5)c4)cc3)CC2)ncn1,HCDPNLPLDGDAIW-UHFFFAOYSA-N
-rxn:4:221413:223640,CCOC12C(=O)c3cc(F)cc(-c4ccc(C(=O)N5CCN(c6cc(N7CCOCC7)ncn6)CC5)o4)c3C(=O)C1C2(C)C,ZUIIXINHAUMXRU-UHFFFAOYSA-N
-rxn:4:221420:224061,CCCC1CCC(c2ccc(-c3ccccc3C(=O)N3CCN(c4ccc(N5CCOCC5)nn4)CC3)c(F)c2)CC1,MITNFPPVJSIYJX-UHFFFAOYSA-N
-rxn:4:221423:224162,CC(C)(C)OC(=O)N1CCc2ccc(-c3ccccc3CN3CCN(c4ccc(N5CCOCC5)nn4)CC3)cc21,QRMXSJBZDFRESV-UHFFFAOYSA-N
-rxn:4:221428:224769,FC(F)(F)c1cc(N2CCCC2)ccc1-c1ccc(CN2CCN(c3ccc(N4CCOCC4)nn3)CC2)cc1,DLFRTBKPYSQDFQ-UHFFFAOYSA-N
-rxn:4:221440:223142,Cc1cc(N2CCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C5CCCNC5)nc4)cc3)CC2)n1,LQSSVACXLZIYBM-UHFFFAOYSA-N
-rxn:4:221442:226486,COC(=O)COc1ccc(-c2ccccc2CN2CCN(c3cc(N4CCOCC4)nc(C)n3)CC2)cc1,BTGUBFKRWWPSAS-UHFFFAOYSA-N
-rxn:4:221445:224129,Cc1cc(N2CCN(Cc3cccc(-c4cccc(C(=O)N(C)C5CCCCC5)c4)c3)CC2)nc(N2CCOCC2)n1,VMZQHBDKWSDWBB-UHFFFAOYSA-N
-rxn:4:221445:226382,Cc1cc(N2CCN(Cc3cccc(-c4cnc(C5CCCCC5)nc4)c3)CC2)nc(N2CCOCC2)n1,UONRNAICMUSQBQ-UHFFFAOYSA-N
-rxn:4:221452:223239,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3cccc(-c4cncc(C5CCCN5)c4)c3)CC2)n1,PETDNFKTWVTAOK-UHFFFAOYSA-N
-rxn:4:221452:227249,CCCOc1ccc(Cl)c(-c2cccc(C(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)c2)c1,OPIBBQHEPIWSAB-UHFFFAOYSA-N
-rxn:4:221455:223170,O=C(c1ccc(-c2cnc(C3CCCNC3)nc2)cc1)N1CCN(c2ccc(N3CCCCCC3)nn2)CC1,GXCYVQPCTMEUAF-UHFFFAOYSA-N
-rxn:4:221498:224718,CC(C)(C)OC(=O)N1CCN(c2ncnc3[nH]cc(-c4ccc(OCCN5CCOCC5)nc4)c23)CC1,UJIVANKNPJZLFR-UHFFFAOYSA-N
-rxn:4:221703:225232,CC1CCN(c2cc(-c3cnc(N4CC5CN(c6ncccc6C(F)(F)F)CC5C4)nc3)cnc2Cl)CC1,IJKBSELHABMKHN-UHFFFAOYSA-N
-rxn:4:221727:224196,CCN1CCN(Cc2cc(F)cc(-c3cncc(C(=O)N4CCN(c5cc6c(nn5)CCCC6)CC4)c3)c2)CC1,BUYSISMCRZHLKF-UHFFFAOYSA-N
-rxn:4:221836:222651,O=C(NC1CCCCC1)c1ccc(F)c(-c2cnc(N3CCCN(C4=NS(=O)(=O)c5ccccc54)CC3)nc2)c1,DTSZUMGZSSAWRR-UHFFFAOYSA-N
-rxn:4:221836:222673,O=C(NC1CCCCC1)c1ccc(Cl)c(-c2cnc(N3CCCN(C4=NS(=O)(=O)c5ccccc54)CC3)nc2)c1,DWCYOYVTWJQCET-UHFFFAOYSA-N
-rxn:4:221910:224125,CN(C)/C=N/c1nc(-c2ccc(-c3ccc(CN4CCN(C5CC5)CC4)cc3)cc2)c(C#N)c(C#N)c1C#N,LCUDSCTWRWYGQK-XICOUIIWSA-N
-rxn:4:221935:222723,N#Cc1nccnc1N1CCCC(COc2ncc(-c3cccc(NS(=O)(=O)N4CCOCC4)c3)cn2)C1,UXUCDKSHXCXIEJ-UHFFFAOYSA-N
-rxn:4:221965:223699,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(S(=O)(=O)N6CCOCC6)cc5C(F)(F)F)cc4)CC3)nn2)CC1,TYANGLKNTLANRI-UHFFFAOYSA-N
-rxn:4:221980:225195,CC(C)(C)OC(=O)N1CCN(c2cc(=O)n3nc(-c4cncc(-c5ccc(F)c(OC6CCCCO6)c5)c4)sc3n2)CC1,NOQUQMYXOJMWIW-UHFFFAOYSA-N
-rxn:4:222031:223842,CC1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2cc(C(F)(F)F)cnc2N2CCN(c3ccnc(N(C)C)n3)CC2)CC1,DQMMVJWIWFJSKA-UHFFFAOYSA-N
-rxn:4:222059:223593,Cc1nn(-c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(N6CCN(C(=O)OC(C)(C)C)CC6)c(Cl)c5)cc4)CC3)nn2)c(C)c1C,BODDJKZDTJDICV-UHFFFAOYSA-N
-rxn:4:222062:223142,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C5CCCNC5)nc4)cc3)CC2)n1,XISDRVKHGBIZFM-UHFFFAOYSA-N
-rxn:4:222062:224575,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(N5CCC(C)CC5)cc4C#N)cc3)CC2)n1,BOYPENVLFSTESX-UHFFFAOYSA-N
-rxn:4:222108:222865,CCCCNC(=O)c1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(F)c6)C(=O)C54)n3)cc2)cc1Cl,VAKBYOPITZDYAI-UHFFFAOYSA-N
-rxn:4:222108:222892,COc1cc(N2CCNCC2)ccc1-c1ccc(-c2noc(CN3N=NC4C(=O)N(c5ccc(C)c(F)c5)C(=O)C43)n2)cc1,XBJQLDZHLMDKBJ-UHFFFAOYSA-N
-rxn:4:222168:225333,Fc1cc(-c2cnc(N3CCN(c4cc(C5CCOCC5)ncn4)CC3)nc2)ccc1COCC(F)(F)F,VEQPNYIBOMPZRG-UHFFFAOYSA-N
-rxn:4:222195:222860,CCCCNC(=O)c1ccc(F)c(-c2cccc(Cn3c(N4CCN(C)CC4)nc4c3c(=O)n(C)c(=O)n4C)c2)c1,YQQVYLMPOMTZEA-UHFFFAOYSA-N
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-rxn:5:178295:227591:227926,COC(=O)C1(c2cc(-c3ccc(SC(C)C)cc3)ccc2-c2ccc(C(F)F)cc2OC)CCC(=O)CC1,JIWMRQOUFXJGSH-UHFFFAOYSA-N
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-rxn:5:178295:227817:223189,COC(=O)C1(c2cc(-c3ccc(NS(C)(=O)=O)cc3F)ccc2-c2ccccc2CC(C)C)CCC(=O)CC1,QYISWORISCQGPF-UHFFFAOYSA-N
-rxn:5:178295:227818:226346,CCC(C)c1cccc(-c2ccc(-c3cc(C)cc(OC(C)C)c3F)cc2C2(C(=O)OC)CCC(=O)CC2)c1,HPPYSFSTQCHSTR-UHFFFAOYSA-N
-rxn:5:178295:227821:227045,CCc1c(C)cc(C)cc1-c1ccc(-c2cccc(SC(C)(C)C)c2)cc1C1(C(=O)OC)CCC(=O)CC1,QCGLFGIWDPMKRK-UHFFFAOYSA-N
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-rxn:5:178295:228002:227815,CCC(C)c1ccccc1-c1ccc(-c2sccc2C2CCCC2)c(C2(C(=O)OC)CCC(=O)CC2)c1,GFSZCVASNAUAGJ-UHFFFAOYSA-N
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-rxn:5:178313:225625:226969,CC(C)(C)[Si](C)(C)Oc1ccc(-c2cc(OC3CCCC3)ccc2F)c(-c2ccc3c(c2)CCCC3=O)c1,UJOCDZRRXVBEJS-UHFFFAOYSA-N
-rxn:5:178313:226069:225498,CC(C)(C)[Si](C)(C)Oc1ccc(-c2cccc(C3CCCCC3)c2)c(-c2cc(C3CCCCC3)ccc2F)c1,CRISWYPIWIYZBL-UHFFFAOYSA-N
-rxn:5:178313:227045:225395,CC(C)(C)Sc1cccc(-c2ccc(O[Si](C)(C)C(C)(C)C)cc2-c2cc(C3CC3)cc(C(C)(C)C)c2)c1,OXWYTFXOOPLWAM-UHFFFAOYSA-N
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-rxn:5:178314:223138:222987,Cc1nc(C2CCNCC2)ccc1-c1ccc(-c2ccnc(C3CCNCC3)c2)cc1O[Si](C)(C)C(C)(C)C,VERVNSIROPMDDB-UHFFFAOYSA-N
-rxn:5:178314:223242:222987,Cc1nc(C2CCNCC2)ccc1-c1ccc(-c2ccnc(C3CCNC3)c2)cc1O[Si](C)(C)C(C)(C)C,RVMATSMYVOODLN-UHFFFAOYSA-N
-rxn:5:178314:225450:225394,CC(C)(C)[Si](C)(C)Oc1cc(-c2ccc(C(=O)C3CCCC3)cc2)ccc1-c1cc(C2CCC2)cc(C2CC2)c1,SZXDRNASXVDZFS-UHFFFAOYSA-N
-rxn:5:178314:225451:226919,CC(C)(C)[Si](C)(C)Oc1cc(-c2ccc(SC3CCCCC3)cc2)ccc1-c1cccc(C2CCCC2)c1,CCALIGHJMVCUKU-UHFFFAOYSA-N
-rxn:5:178314:225499:227044,CC(C)(C)[Si](C)(C)Oc1cc(-c2ccc(C3CCCCC3)cc2F)ccc1-c1ccc(C(=O)C2CC2)cc1,PJRYDWOPPUQJPL-UHFFFAOYSA-N
-rxn:5:178314:227066:225453,CC(C)(C)[Si](C)(C)Oc1cc(-c2cccc(C(=O)C3CC3)c2)ccc1-c1cccc(SC2CCCCC2)c1,STDIWZBRSYXZEE-UHFFFAOYSA-N
-rxn:5:178314:227103:226150,CC(C)(C)[Si](C)(C)Oc1cc(-c2sccc2C2CCCCC2)ccc1-c1cccc(SC2CCCC2)c1,AVZPLACXZBOYPA-UHFFFAOYSA-N
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-rxn:5:178315:225394:226190,CC(C)(C)[Si](C)(C)Oc1cc(-c2cc(C3CCC3)cc(C3CC3)c2)cc(-c2ccc(C3CCCC3)cc2F)c1,WTLRADVCUBYQHI-UHFFFAOYSA-N
-rxn:5:178315:225453:226907,CC(C)(C)[Si](C)(C)Oc1cc(-c2cccc(SC3CCCCC3)c2)cc(-c2cccc3c2CCC32CC2)c1,PECTVCZOXWIUTA-UHFFFAOYSA-N
-rxn:5:178315:225453:227073,COc1cc(-c2cc(O[Si](C)(C)C(C)(C)C)cc(-c3cccc(SC4CCCCC4)c3)c2)cc(C2CC2)c1,DPRZZKSAMREARQ-UHFFFAOYSA-N
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-rxn:5:178467:225439:223378,CCOC(=O)C1=Cc2cc(-c3cnc4c(c3)NCCO4)cc(-c3cccc(C(C)N4CCCC4)c3)c2OC1,DJBLRQATRITCKM-UHFFFAOYSA-N
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-rxn:5:178467:226679:225639,CCOC(=O)C1=Cc2cc(-c3cccnc3N3CCC(C)CC3)cc(-c3cnc(N4CCCC4)cc3F)c2OC1,LWZDKIOCRZNDTI-UHFFFAOYSA-N
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-rxn:5:178467:226794:223252,CCOC(=O)C1=Cc2cc(-c3cc(F)c4c(c3)NCCO4)cc(-c3cnc(N4CCSCC4)nc3)c2OC1,ZGJHKDPWQMALGR-UHFFFAOYSA-N
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-rxn:5:178467:227515:223134,CCOC(=O)C1=Cc2cc(-c3cnccc3C3CCCNC3)cc(-c3cc(OC(C)C)cnc3F)c2OC1,BFVRDVHYZTXXSR-UHFFFAOYSA-N
-rxn:5:178467:227515:223137,CCOC(=O)C1=Cc2cc(-c3cncc(C4CCCNC4)c3)cc(-c3cc(OC(C)C)cnc3F)c2OC1,QFYYCVCENWTDMJ-UHFFFAOYSA-N
-rxn:5:178467:227803:223141,CCOC(=O)C1=Cc2cc(-c3cncc(C4CCNCC4)c3)cc(-c3ccnn3S(=O)(=O)N(C)C)c2OC1,PEMOSMQXNQLUAN-UHFFFAOYSA-N
-rxn:5:178467:228361:225976,CCOC(=O)C1=Cc2cc(-c3ccnc(N4CCOCC4)c3F)cc(-c3cc(N(C)C)ncc3F)c2OC1,BLJRLEGWEXXADD-UHFFFAOYSA-N
-rxn:5:178467:228692:225636,CCOC(=O)C1=Cc2cc(-c3ccnc(N4CCC(C)CC4)c3)cc(-c3ccc(CN(C)C)s3)c2OC1,IBLOOWXCXJXPRJ-UHFFFAOYSA-N
-rxn:5:178467:228695:222981,CCOC(=O)C1=Cc2cc(-c3ccnc(NC4CCCCC4)c3)cc(-c3csc(CN(C)C)c3)c2OC1,DSBOYCTYICEZQG-UHFFFAOYSA-N
-rxn:5:178467:228964:223065,CCOC(=O)C1=Cc2cc(-c3ccc(N4CCNCC4)cc3F)cc(-c3cnc(C(=O)OC)s3)c2OC1,TZHQPIIVRAQEMP-UHFFFAOYSA-N
-rxn:5:179417:222958:225805,CCS(=O)(=O)c1ccc(-c2ccc(C)c(C3CCNCC3)c2)c(-c2ccc(C(C)N3CCOCC3)s2)c1,IPWSBXBWQUWPNO-UHFFFAOYSA-N
-rxn:5:180021:226599:225446,CCOc1c(F)cc(-c2cc(C3OCCO3)cc(-c3cc(C)cc(OC4CCCC4)c3)c2OC)c(C)c1F,STISLDLMZSDJAV-UHFFFAOYSA-N
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-rxn:5:180377:225832:226189,Cc1nn(C2CCCCO2)c(C)c1-c1c(C(C)C)cc(-c2ccc(C3CCCC3)c(F)c2)cc1C(C)C,QMROMNJSENNNBX-UHFFFAOYSA-N
-rxn:5:180377:225937:225394,CC(C)c1cnc(C(F)(F)F)cc1-c1c(C(C)C)cc(-c2cc(C3CCC3)cc(C3CC3)c2)cc1C(C)C,PEGJGAJVUFPOHX-UHFFFAOYSA-N
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-rxn:5:180662:223285:225798,COC(=O)C1=Cc2cc(-c3ccc(OC4CCOCC4)nc3)cc(-c3ccccc3NS(C)(=O)=O)c2OC1,SLYRZMIQYMAKLF-UHFFFAOYSA-N
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-rxn:5:180662:226148:222988,COC(=O)C1=Cc2cc(-c3cc(C)nc(C4CCNCC4)c3)cc(-c3cccc(C#C[Si](C)(C)C)c3)c2OC1,UXSYJKHTMPQCAN-UHFFFAOYSA-N
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-rxn:5:181621:225832:223000,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2ccc(C3CCCNC3)c(F)c2)cc(C2OCCO2)c1,PHDSBRPZCOXVIK-UHFFFAOYSA-N
-rxn:5:181628:225514:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2cccc3c2OCC2(CC2)CO3)cc1C1OCCO1,QLFDXKOXOQKPPU-UHFFFAOYSA-N
-rxn:5:181628:225672:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2cc(F)nc(C3CCCCC3)c2)cc1C1OCCO1,SMPPIDSSDQNCOQ-UHFFFAOYSA-N
-rxn:5:181904:225514:226686,Cc1cnn(C2CCCCO2)c1-c1c(-c2cccc3c2OCC2(CC2)CO3)ccc(C2OCCO2)c1C,GOIIULKJZCIOEH-UHFFFAOYSA-N
-rxn:5:181904:225653:222956,Cc1ccc(-c2c(-c3ccc(N4CCCCC4C)nc3)ccc(C3OCCO3)c2C)c(C2CCCNC2)c1,HLBZQKOCPBVUTE-UHFFFAOYSA-N
-rxn:5:181905:222996:226428,Cc1ccc(-c2cc(N3CCCCC3C)cs2)c(C2OCCO2)c1-c1ccc(F)cc1C1CCCNC1,ZMWBVOYOYKEGHS-UHFFFAOYSA-N
-rxn:5:181906:225636:225638,Cc1ccc(-c2ccnc(N3CCC(C)CC3)c2)c(C2OCCO2)c1-c1ccc(N2CCC(C)CC2)nc1,SRBLHLYYZCWOLC-UHFFFAOYSA-N
-rxn:5:181907:225407:225472,Cc1cc(-c2ccc(C3CCCCCC3)cc2)c(-c2cccc(N3CCCCC3C)c2)c(C2OCCO2)c1,QVSDDHBGPLCBHO-UHFFFAOYSA-N
-rxn:5:181907:225652:225439,Cc1cc(-c2cncc(N3CCCC(C)C3)c2)c(-c2cccc(C(C)N3CCCC3)c2)c(C2OCCO2)c1,VKVFBGJXIPBFAN-UHFFFAOYSA-N
-rxn:5:181908:222960:225655,Cc1cc(-c2cc(C)c(C3OCCO3)cc2-c2cncc(N3CCC(C)CC3)c2)cc(C2CCNCC2)c1,KNRMUYUDPHYSMS-UHFFFAOYSA-N
-rxn:5:181908:222998:226425,Cc1cc(-c2cc(F)cc(C3CCCNC3)c2)c(-c2ccc(N3CCCCC3C)s2)cc1C1OCCO1,UUGRNJOTNDXZGO-UHFFFAOYSA-N
-rxn:5:181908:223146:225607,Cc1cc(-c2cccc(C3CNCCO3)c2)c(-c2ccc(C(C)N3CCCCC3)s2)cc1C1OCCO1,GIZXLNGPZLFMQZ-UHFFFAOYSA-N
-rxn:5:181908:225633:225653,Cc1cc(-c2ccc(N3CCCCCC3)nc2)c(-c2ccc(N3CCCCC3C)nc2)cc1C1OCCO1,FRWZTFQBBZJGPZ-UHFFFAOYSA-N
-rxn:5:181908:225656:222960,Cc1cc(-c2cc(C3OCCO3)c(C)cc2-c2cncc(N3CCCCC3C)c2)cc(C2CCNCC2)c1,LNVVXPWNFXHURK-UHFFFAOYSA-N
-rxn:5:181908:226428:225514,Cc1cc(-c2cc(N3CCCCC3C)cs2)c(-c2cccc3c2OCC2(CC2)CO3)cc1C1OCCO1,UBJDCRYSVAONPU-UHFFFAOYSA-N
-rxn:5:181908:226444:225607,Cc1cc(-c2ccc(C3CCCO3)nc2C)c(-c2ccc(C(C)N3CCCCC3)s2)cc1C1OCCO1,FRBJWTMUWWAMGJ-UHFFFAOYSA-N
-rxn:5:182009:222958:225639,Cc1ccc(-c2ccc(-c3cccnc3N3CCC(C)CC3)cc2C2CCOCC2)cc1C1CCNCC1,KGICIPQAESLKQY-UHFFFAOYSA-N
-rxn:5:182010:222959:225407,Cc1cc(-c2cc(-c3ccc(C4CCCCCC4)cc3)ccc2C2CCOCC2)ccc1C1CCNCC1,RQIQYATVTLULEC-UHFFFAOYSA-N
-rxn:5:182010:225832:223148,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2ccccc2C2CNCCO2)ccc1C1CCOCC1,HGICTVLKJWMZAJ-UHFFFAOYSA-N
-rxn:5:182010:225832:225880,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2cc(C3CCOCC3)ncc2F)ccc1C1CCOCC1,BLFCIEWQKJEQEM-UHFFFAOYSA-N
-rxn:5:182010:226686:226424,Cc1cnn(C2CCCCO2)c1-c1cc(-c2cc(N3CCCC(C)C3)cs2)ccc1C1CCOCC1,QZYTUOOPTFAKJG-UHFFFAOYSA-N
-rxn:5:182011:222956:225655,Cc1ccc(-c2ccc(C3CCOCC3)cc2-c2cncc(N3CCC(C)CC3)c2)c(C2CCCNC2)c1,SRPLCKVMAQIRLM-UHFFFAOYSA-N
-rxn:5:182011:222957:225636,Cc1cc(-c2ccc(C3CCOCC3)cc2-c2ccnc(N3CCC(C)CC3)c2)cc(C2CCCNC2)c1,HWKCAQUTXWIQLS-UHFFFAOYSA-N
-rxn:5:182011:222960:225466,Cc1cc(-c2ccc(C3CCOCC3)cc2-c2ccc(N3CCCCC3C)cc2)cc(C2CCNCC2)c1,AEWFIYBZDXKBHK-UHFFFAOYSA-N
-rxn:5:182011:225655:222960,Cc1cc(-c2cc(C3CCOCC3)ccc2-c2cncc(N3CCC(C)CC3)c2)cc(C2CCNCC2)c1,QUSVSMMLIWGILU-UHFFFAOYSA-N
-rxn:5:182012:225438:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(-c2ccc(C(C)N3CCCC3)cc2)cc1C1CCCOC1,XGHXDKOHVKLRPL-UHFFFAOYSA-N
-rxn:5:182012:226427:222956,Cc1ccc(-c2ccc(-c3cc(N4CCC(C)CC4)cs3)cc2C2CCCOC2)c(C2CCCNC2)c1,BLCYMEHREKTYHX-UHFFFAOYSA-N
-rxn:5:183066:225943:225592,O=C1CCCc2c1ccc(-c1ccc(C(=O)N3CCOCC3)s1)c2-c1cc(F)ccc1CN1CCCC1,CCUYHJOVDROKCV-UHFFFAOYSA-N
-rxn:5:188249:225933:226029,CCOc1c(F)c(F)c(-c2cc(C#N)c(OC(C)=O)c(-c3cc(C4CC4)nc(C(F)(F)F)c3)c2)c(F)c1F,YVSZRHYLAYOFMJ-UHFFFAOYSA-N
-rxn:5:188396:225607:223061,CCOC(=O)c1cc(-c2ccc(C(C)N3CCCCC3)s2)nc(-c2cc(C3CCNCC3)ncc2F)c1,GPHCLGRNEBHFKI-UHFFFAOYSA-N
-rxn:5:188867:223056:225679,CC(C)OC(=O)c1cc(-c2ccc(N3CCCCC3)cc2F)ncc1-c1ccc(N2CCC(O)CC2)nc1,ALEXUKHKEVVYEM-UHFFFAOYSA-N
-rxn:5:188867:225833:226425,CC(C)OC(=O)c1cc(-c2ccc(N3CCCCC3C)s2)ncc1-c1ccnc(N2CCCCC2)c1F,ADMPFXDXYMZTHR-UHFFFAOYSA-N
-rxn:5:188867:225849:222994,CC(C)OC(=O)c1cc(-c2cccc(N3CCC(O)CC3)c2)ncc1-c1cnc(N2CCCCC2)cc1F,BIPROZWKIOCKOV-UHFFFAOYSA-N
-rxn:5:188868:223061:225515,CC(C)OC(=O)c1ccnc(-c2cccc3c2OCC(C)(C)CO3)c1-c1cc(C2CCNCC2)ncc1F,IOSVBLPYSFWPHK-UHFFFAOYSA-N
-rxn:5:188868:225666:223056,CC(C)OC(=O)c1ccnc(-c2ccc(N3CCC(O)CC3)nc2)c1-c1cc(F)cc(N2CCCCC2)c1,RZYLRJTULNQREU-UHFFFAOYSA-N
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-rxn:5:188930:226374:226438,COC(=O)c1cc(S(N)(=O)=O)c(-c2cncnc2C2CCCCC2)cc1-c1cnc(C2CCCC2)cc1F,VOPJPFCTSZCQTG-UHFFFAOYSA-N
-rxn:5:188930:227377:225677,COC(=O)c1cc(S(N)(=O)=O)c(-c2cncnc2C2CCCC2)cc1-c1ccc(C2CCCCC2)nc1F,UDNDBFPHEGGEKO-UHFFFAOYSA-N
-rxn:5:188932:223139:223135,COC(=O)c1cc(-c2ccc(C3CCNCC3)nc2)c(S(N)(=O)=O)c(-c2cccnc2C2CCCNC2)c1,ZDSGWEKGQBWQDX-UHFFFAOYSA-N
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-rxn:5:189208:223289:227542,CNS(=O)(=O)c1ccccc1-c1ccc(C(=O)ON2C(=O)CCC2=O)c(-c2ccc(F)cc2C(=O)OC)c1,UYVLGXPIWHALPV-UHFFFAOYSA-N
-rxn:5:189208:225636:228586,CC1CCN(c2cc(-c3ccc(C(=O)ON4C(=O)CCC4=O)c(-c4cccnc4C(C)C)c3)ccn2)CC1,SDUZMSJCBSGETA-UHFFFAOYSA-N
-rxn:5:189211:226215:223000,CO/N=C1\CCc2cc(-c3cccc(C(=O)ON4C(=O)CCC4=O)c3-c3ccc(C4CCCNC4)c(F)c3)ccc21,BIRGWDOOCHAVJA-AWQADKOQSA-N
-rxn:5:189212:222981:225926,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc(S(=O)(=O)N3CCC3)cc2)c(-c2ccnc(NC3CCCCC3)c2)c1,GQMILHBWTJVVDV-UHFFFAOYSA-N
-rxn:5:189212:223000:226468,CN1C(=O)COc2c(-c3ccc(C(=O)ON4C(=O)CCC4=O)cc3-c3ccc(C4CCCNC4)c(F)c3)cccc21,QZDAAVPZXIBEOQ-UHFFFAOYSA-N
-rxn:5:189319:225833:226794,CC(C)(C)OC(=O)c1nc(-c2cnc(N3CCSCC3)nc2)ccc1-c1ccnc(N2CCCCC2)c1F,QKKGNVZAIWIJLE-UHFFFAOYSA-N
-rxn:5:189319:226658:223056,CC(C)(C)OC(=O)c1nc(-c2ccc(N3CCC(O)CC3)nc2)ccc1-c1ccc(N2CCCC2)nc1F,DQRKTIXFKGXSLK-UHFFFAOYSA-N
-rxn:5:189319:226664:223056,CC(C)(C)OC(=O)c1nc(-c2ccc(N3CCC(O)CC3)nc2)ccc1-c1cc(N2CCCC2)ncc1F,KRNMCDAFZHCCFR-UHFFFAOYSA-N
-rxn:5:189319:226679:223056,CC(C)(C)OC(=O)c1nc(-c2ccc(N3CCC(O)CC3)nc2)ccc1-c1cnc(N2CCCC2)cc1F,HAVGJLSSJYSMHH-UHFFFAOYSA-N
-rxn:5:189320:223065:226663,CC(C)(C)OC(=O)c1cnc(-c2ccc(N3CCSCC3)nc2)c(-c2ccc(N3CCNCC3)cc2F)c1,ZZRWXBFKNGVWCM-UHFFFAOYSA-N
-rxn:5:189320:225834:226663,CC(C)(C)OC(=O)c1cnc(-c2ccc(N3CCSCC3)nc2)c(-c2cc(N3CCCCC3)ncc2F)c1,NDPBIEZLBIGEEB-UHFFFAOYSA-N
-rxn:5:189320:226663:225872,CC(C)(C)OC(=O)c1cnc(-c2cc(F)c(F)c(N3CCCC3)c2)c(-c2ccc(N3CCSCC3)nc2)c1,PNYPOPQPYAPDJU-UHFFFAOYSA-N
-rxn:5:189321:223056:226664,CC(C)(C)OC(=O)c1nc(-c2ccc(N3CCC(O)CC3)nc2)ccc1-c1cc(N2CCCC2)ncc1F,KRNMCDAFZHCCFR-UHFFFAOYSA-N
-rxn:5:189321:226794:225833,CC(C)(C)OC(=O)c1nc(-c2cnc(N3CCSCC3)nc2)ccc1-c1ccnc(N2CCCCC2)c1F,QKKGNVZAIWIJLE-UHFFFAOYSA-N
-rxn:5:189323:225833:223056,CC(C)(C)OC(=O)c1cc(-c2ccc(N3CCC(O)CC3)nc2)ncc1-c1ccnc(N2CCCCC2)c1F,SDWUICKHFDTWJE-UHFFFAOYSA-N
-rxn:5:189323:226663:225833,CC(C)(C)OC(=O)c1cc(-c2ccnc(N3CCCCC3)c2F)ncc1-c1ccc(N2CCSCC2)nc1,YUQOEERGQNJLTQ-UHFFFAOYSA-N
-rxn:5:189334:223056:226658,CC(C)(C)OC(=O)c1ncc(-c2ccc(N3CCC(O)CC3)nc2)cc1-c1ccc(N2CCCC2)nc1F,YTKGDYXDORSUSZ-UHFFFAOYSA-N
-rxn:5:189334:223056:226679,CC(C)(C)OC(=O)c1ncc(-c2ccc(N3CCC(O)CC3)nc2)cc1-c1cnc(N2CCCC2)cc1F,YSEIRRDHSDUEGF-UHFFFAOYSA-N
-rxn:5:189448:225805:225622,COC1CN(C(=O)c2ccc(-c3ccc(C(C)N4CCOCC4)s3)c(-c3ccccc3OC3CCCCO3)c2)C1,YJJZFZVWOMTHTM-UHFFFAOYSA-N
-rxn:5:189449:225453:226152,COc1cc(C2CC2)cc(-c2ccc(-c3cccc(SC4CCCCC4)c3)c(C(=O)N3CC(OC)C3)c2)c1C,ALTGOLVEDYOHSH-UHFFFAOYSA-N
-rxn:5:189449:226679:226663,COC1CN(C(=O)c2cc(-c3ccc(N4CCSCC4)nc3)ccc2-c2cnc(N3CCCC3)cc2F)C1,GMEKQKVHDWCKNK-UHFFFAOYSA-N
-rxn:5:189449:226679:226794,COC1CN(C(=O)c2cc(-c3cnc(N4CCSCC4)nc3)ccc2-c2cnc(N3CCCC3)cc2F)C1,AUPCFULAIZSNNO-UHFFFAOYSA-N
-rxn:5:189666:223082:227048,CNS(=O)(=O)c1c(C)cc(-c2cc(/C=N/[S@](=O)C(C)(C)C)ccc2-c2ccc(C(=O)C(C)C)cc2)cc1C,WCJVIDOFCODKNI-HRBZFAHXSA-N
-rxn:5:189666:227045:225498,CC(C)(C)Sc1cccc(-c2cc(/C=N/[S@](=O)C(C)(C)C)ccc2-c2cc(C3CCCCC3)ccc2F)c1,VPFYXXOACORJNZ-ZUZQMJOLSA-N
-rxn:5:189667:225407:226914,Cc1cc(CC(C)C)ccc1-c1cc(/C=N/[S@@](=O)C(C)(C)C)cc(-c2ccc(C3CCCCCC3)cc2)c1,PSXGXPMQGOBPPN-MZXXKLLWSA-N
-rxn:5:189669:223183:226059,CNS(=O)(=O)c1ccc(-c2ccc(/C=N/S(=O)C(C)(C)C)cc2-c2ccc(C(C)C)cc2C(C)C)c(C)c1,DSCNNWMYHLVAMF-HNSNBQBZSA-N
-rxn:5:189673:226364:222985,Cc1nc(C2CCCNC2)ccc1-c1cc(-c2ccc(N3CCCCC3)nc2)ccc1/C=N/S(=O)C(C)(C)C,GHXYGSCFMNITKT-FADJLKOXSA-N
-rxn:5:189674:225407:226146,CC(C)(C)S(=O)/N=C/c1ccc(-c2ccc(SC3CCCC3)cc2)cc1-c1ccc(C2CCCCCC2)cc1,SUAFTRRWJNVFMI-YRRMYEEHSA-N
-rxn:5:189676:227750:225455,Cc1ccc(N2CCCCC2)cc1-c1ccc(CC(=O)N2CCCC2)cc1-c1cccc(F)c1C(F)(F)F,IAUOBHCMJSEMJB-UHFFFAOYSA-N
-rxn:5:189718:225802:226686,Cc1cnn(C2CCCCO2)c1-c1cc([N+](=O)[O-])c(OC2CCOCC2)cc1-c1ccc(OC2CCCC2)nc1F,ZFAUSYMJWARCRR-UHFFFAOYSA-N
-rxn:5:189718:228727:222980,COc1ncc(C)cc1-c1cc(OC2CCOCC2)c([N+](=O)[O-])cc1-c1ccc(CN2CCNCC2)cc1,GVRGPPRDEBYZPI-UHFFFAOYSA-N
-rxn:5:189827:225407:227052,CC(C)(C)Sc1ccc(-c2ccc(CC(=O)N3CCOCC3)cc2-c2ccc(C3CCCCCC3)cc2)cc1,JDUQKWBGPVRRGT-UHFFFAOYSA-N
-rxn:5:189829:225451:227939,COc1c(-c2ccc(SC3CCCCC3)cc2)cc(C(=O)N2CCCC2)cc1-c1ccccc1C(C)OC,JFABNKWNKXGGKY-UHFFFAOYSA-N
-rxn:5:189829:225655:225942,COc1c(-c2cncc(N3CCC(C)CC3)c2)cc(C(=O)N2CCCC2)cc1-c1cnc(C(C)C)c(C(F)(F)F)c1,VRCCGTCSMCPDNO-UHFFFAOYSA-N
-rxn:5:189908:223202:222989,Cc1cc(N2CCNCC2)ccc1-c1ncc(-c2ccc(C3(O)CCC3)cc2)cc1OCC1CCCCC1,BXSJHZWXQNTTBI-UHFFFAOYSA-N
-rxn:5:189908:227770:225926,COc1ncc(-c2cnc(-c3ccc(S(=O)(=O)N4CCC4)cc3)c(OCC3CCCCC3)c2)cc1[N+](=O)[O-],QFZPEFIOEFGTAB-UHFFFAOYSA-N
-rxn:5:189952:223065:227968,COc1c(-c2ccc(N3CCNCC3)cc2F)cc(C(=O)N2CCOCC2)cc1-c1cnccc1C1CCC1,JSIHVWWSUYFMRP-UHFFFAOYSA-N
-rxn:5:189952:223113:227491,COc1c(-c2cnc(OC3CCC3)nc2)cc(C(=O)N2CCOCC2)cc1-c1ccc2c(c1)C(C)(C)C(=O)N2,OUONOJKQUJDVPP-UHFFFAOYSA-N
-rxn:5:190000:226150:227052,CC(C)(C)Sc1ccc(-c2ccc(CC(=O)N3CCCCC3)c(-c3cccc(SC4CCCC4)c3)c2)cc1,NABMJRSGFPJTKH-UHFFFAOYSA-N
-rxn:5:190000:226794:227346,CCCc1cc(F)c(-c2ccc(CC(=O)N3CCCCC3)c(-c3cnc(N4CCSCC4)nc3)c2)c(F)c1,NJJPWWIQKCMGHX-UHFFFAOYSA-N
-rxn:5:190000:227346:226794,CCCc1cc(F)c(-c2cc(-c3cnc(N4CCSCC4)nc3)ccc2CC(=O)N2CCCCC2)c(F)c1,WQNWVHCAWPUXGT-UHFFFAOYSA-N
-rxn:5:190001:225453:227053,CC(C)(C)Oc1cccc(-c2ccc(CC(=O)N3CCCCC3)cc2-c2cccc(SC3CCCCC3)c2)c1,HSVRBHXTINKLLA-UHFFFAOYSA-N
-rxn:5:190001:225470:225886,CC1CCN(c2ccc(-c3cc(CC(=O)N4CCCCC4)ccc3-c3ccc4c(ccn4S(C)(=O)=O)c3)cc2)CC1,KTXKRKVPYSLVMA-UHFFFAOYSA-N
-rxn:5:190001:227045:226159,CC(C)(C)Sc1cccc(-c2cc(CC(=O)N3CCCCC3)ccc2-c2cccc(N3CCCCC3)c2)c1,PMUVYXIEEGJMLB-UHFFFAOYSA-N
-rxn:5:190001:228567:223061,CCC(C)c1sccc1-c1cc(CC(=O)N2CCCCC2)ccc1-c1cc(C2CCNCC2)ncc1F,FJAWCIMQGVZFGS-UHFFFAOYSA-N
-rxn:5:190001:228567:223062,CCC(C)c1sccc1-c1cc(CC(=O)N2CCCCC2)ccc1-c1cnc(C2CCNCC2)cc1F,NCDVCBSRCPVHOG-UHFFFAOYSA-N
-rxn:5:190127:223112:225833,COC1CCN(C(=O)c2cc(-c3c(C(C)C)ccc4[nH]ncc34)ccc2-c2ccnc(N3CCCCC3)c2F)CC1,RSSSOSSKWQOCAY-UHFFFAOYSA-N
-rxn:5:190127:223112:225982,COC1CCN(C(=O)c2cc(-c3c(C(C)C)ccc4[nH]ncc34)ccc2-c2cnc(N3CCOCC3)cc2F)CC1,SNXMTAYAJGZCEX-UHFFFAOYSA-N
-rxn:5:190127:227076:227052,CCC(C)c1ccc(F)c(-c2ccc(-c3ccc(SC(C)(C)C)cc3)c(C(=O)N3CCC(OC)CC3)c2)c1,JWMYNMZWNGPNHW-UHFFFAOYSA-N
-rxn:5:190128:225805:227061,COC1CCN(C(=O)c2ccc(-c3ccc(C(C)N4CCOCC4)s3)c(-c3cc(OC(C)C)ccc3C)c2)CC1,RTJQFNLDAORYAX-UHFFFAOYSA-N
-rxn:5:190128:227047:227054,COc1cc(-c2cc(C(=O)N3CCC(OC)CC3)ccc2-c2cccc(SC3CCC3)c2)ccc1C1CC1,IGEOVHSOWRLYMS-UHFFFAOYSA-N
-rxn:5:190128:227076:227052,CCC(C)c1ccc(F)c(-c2ccc(C(=O)N3CCC(OC)CC3)cc2-c2ccc(SC(C)(C)C)cc2)c1,ZPNFDSFJBFOZOB-UHFFFAOYSA-N
-rxn:5:190128:227592:225453,COc1cc(F)cc(-c2ccc(C(=O)N3CCC(OC)CC3)cc2-c2cccc(SC3CCCCC3)c2)c1OC,GKXLAHWWOHHWKU-UHFFFAOYSA-N
-rxn:5:190131:226191:227935,CCc1cc(-c2cc(C(=O)N3CCCCC3)cc(-c3cc(C4CCCC4)ccc3F)c2OC)ccc1OC,VPRKTUCOKTTZAU-UHFFFAOYSA-N
-rxn:5:190131:227131:227344,COc1c(-c2cccc(C3CCOC3)c2)cc(C(=O)N2CCCCC2)cc1-c1ccc(OC(C)C)c(F)c1,JMRMRRCBCGUGSM-UHFFFAOYSA-N
-rxn:5:190131:227312:226041,CCC(C)c1ccc(-c2cc(C(=O)N3CCCCC3)cc(-c3c([N+](=O)[O-])cccc3C(F)(F)F)c2OC)c(F)n1,RHEVLDKLHSWNTA-UHFFFAOYSA-N
-rxn:5:190194:225451:227059,COc1ccc(-c2c(CN3CCC(OC)CC3)cccc2-c2ccc(SC3CCCCC3)cc2)cc1C(C)C,ZTJDPWZFJSQZEC-UHFFFAOYSA-N
-rxn:5:190194:225451:228157,COc1ccc(-c2c(CN3CCC(OC)CC3)cccc2-c2ccc(SC3CCCCC3)cc2)c(OC)c1,XGSMHNSIPMNPMX-UHFFFAOYSA-N
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-rxn:5:190194:227349:226146,COc1cc(C)cc(-c2cccc(CN3CCC(OC)CC3)c2-c2ccc(SC3CCCC3)cc2)c1OC,PTUWMIUEWYPICV-UHFFFAOYSA-N
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-rxn:5:190484:226064:227971,CC(C)(C)c1ccncc1-c1ccccc1C1CCN(C(=O)c2cccc(-c3ccc(C4CCCCC4)cc3)c2)CCS1(=O)=O,QYNIDIWHWQLIEI-UHFFFAOYSA-N
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-rxn:5:190484:226661:226665,CN1CCN(c2csc(-c3cccc(C(=O)N4CCC(c5ccccc5-c5cnc(C6CCCOC6)nc5)S(=O)(=O)CC4)c3)c2)CC1,QUCXHUUOUKBBDL-UHFFFAOYSA-N
-rxn:5:190484:226686:229169,Cc1cnn(C2CCCCO2)c1-c1cccc(C(=O)N2CCC(c3ccccc3-c3cscc3C(F)F)S(=O)(=O)CC2)c1,GHRTZAATKXUIJC-UHFFFAOYSA-N
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-rxn:5:190741:225833:222995,CCOC(=O)c1cnc2c(-c3ccnc(N4CCCCC4)c3F)cc(C)cc2c1-c1cccc(N2CCCC(O)C2)c1,MUDSXXJPPDXQAU-UHFFFAOYSA-N
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-rxn:5:193382:227656:226180,Cc1cc(-c2cc(-c3cc(N4CCOCC4)cs3)ccc2S(=O)(=O)N2CCOCC2)cc(C2CCCC2)n1,XCRPOSAXRUSISX-UHFFFAOYSA-N
-rxn:5:193462:227592:225451,COc1cc(F)cc(-c2ccc(-c3ccc(SC4CCCCC4)cc3)c(CN3CCC(=O)CC3)c2)c1OC,MLBRZDSASHQFDW-UHFFFAOYSA-N
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-rxn:5:193464:227045:225407,CC(C)(C)Sc1cccc(-c2ccc(C3(C#N)CCCCC3)c(-c3ccc(C4CCCCCC4)cc3)c2)c1,OZLRMXYJIDXPCO-UHFFFAOYSA-N
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-rxn:5:193506:223147:223289,CNS(=O)(=O)c1ccccc1-c1cc(-c2ccc(C3CNCCO3)cc2)ccc1S(=O)(=O)N1CCC(=O)CC1,KHBNTSLKWDBYLV-UHFFFAOYSA-N
-rxn:5:193506:223189:223358,CC(=O)Nc1ccc(-c2cc(-c3ccc(NS(C)(=O)=O)cc3F)ccc2S(=O)(=O)N2CCC(=O)CC2)cc1,IBXXNKBDYWXCOQ-UHFFFAOYSA-N
-rxn:5:193506:223281:225805,CC(c1ccc(-c2cc(-c3ccc(C4(O)COC4)nc3)ccc2S(=O)(=O)N2CCC(=O)CC2)s1)N1CCOCC1,PTVDOMSJDKKSEY-UHFFFAOYSA-N
-rxn:5:193506:225607:223311,CC(c1ccc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3cccc(C4CNC4)c3)c2)s1)N1CCCCC1,VXQQHEGIFGAEBB-UHFFFAOYSA-N
-rxn:5:193506:225986:227657,O=C1CCN(S(=O)(=O)c2ccc(-c3ccccc3N3CCCS3(=O)=O)cc2-c2ccc(N3CCOCC3)s2)CC1,LLJQCRNFTHCMMI-UHFFFAOYSA-N
-rxn:5:193506:227279:226583,CC(C)n1nc(C2CC2)cc1-c1ccc(S(=O)(=O)N2CCC(=O)CC2)c(-c2ccc(CN3CCOCC3)s2)c1,ZRAVMMGTVVPMSE-UHFFFAOYSA-N
-rxn:5:193540:226364:226686,Cc1cnn(C2CCCCO2)c1-c1cc(-c2ccc(N3CCCCC3)nc2)ccc1CN1CCCCC1,NNUGYOJSSGAOON-UHFFFAOYSA-N
-rxn:5:193540:226447:226686,Cc1cnn(C2CCCCO2)c1-c1cc(-c2ccnc(C3CCOCC3)c2)ccc1CN1CCCCC1,QBEDVEBYYGZITA-UHFFFAOYSA-N
-rxn:5:193748:223183:227048,CNS(=O)(=O)c1ccc(-c2ccc(-c3ccc(C(=O)C(C)C)cc3)c(C(=O)N3CCCC(C)C3)c2)c(C)c1,LYOJCNFRSZEXDK-UHFFFAOYSA-N
-rxn:5:193749:226886:225930,Cc1ccc(S(=O)(=O)N(C)C)c(-c2ccc(-c3cc(F)c(C(F)(F)F)c(F)c3)cc2C(=O)N2CCCCC2C)c1,ONVQGQSDJXISIM-UHFFFAOYSA-N
-rxn:5:193751:223142:226915,CC1CCCN(C(=O)c2cc(-c3ccc(C4CCCC4)cc3)ccc2-c2ccc(C3CCCNC3)nc2)C1,SMBHQQVPEMVDMZ-UHFFFAOYSA-N
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-rxn:5:193756:225818:227089,CC1CCCCN1C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2C2CC2)cc1-c1ccncc1C1CCCC1,SQQYQASMWJXAKI-UHFFFAOYSA-N
-rxn:5:193756:225833:228218,CC1CCCCN1C(=O)c1ccc(-c2ccnc(N3CCCCC3)c2F)cc1-c1cc(C2CC2)ncc1F,GXZBUPOXYVCDCZ-UHFFFAOYSA-N
-rxn:5:193756:225834:225834,CC1CCCCN1C(=O)c1ccc(-c2cc(N3CCCCC3)ncc2F)cc1-c1cc(N2CCCCC2)ncc1F,MJIJXEMYOUGDRG-UHFFFAOYSA-N
-rxn:5:193756:226849:226176,COc1nccc(-c2ccc(C(=O)N3CCCCC3C)c(-c3ccncc3C3CCCCC3)c2)c1C(F)(F)F,PNPZNSMLAUCPTQ-UHFFFAOYSA-N
-rxn:5:193756:227377:225818,CC1CCCCN1C(=O)c1ccc(-c2cncnc2C2CCCC2)cc1-c1ccc(C(F)(F)F)cc1C1CC1,MBMYHMKLMNDCFI-UHFFFAOYSA-N
-rxn:5:193807:226183:226064,CC1CCN(Cc2cccc(-c3ccc(C4CCCCC4)cc3)c2-c2cnccc2C2CCCCC2)CC1,HPJIGMZLLANSRC-UHFFFAOYSA-N
-rxn:5:193807:227390:226064,CC1CCN(Cc2cccc(-c3ccc(C4CCCCC4)cc3)c2-c2ccnn2C2CCCCC2)CC1,HGKXMSSXVPIXDO-UHFFFAOYSA-N
-rxn:5:193809:226067:226686,Cc1cnn(C2CCCCO2)c1-c1cc(-c2ccc(C3=CCCCC3)cc2)ccc1CN1CCC(C)CC1,VZWRMPPEYDZXSI-UHFFFAOYSA-N
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-rxn:5:193866:227052:227069,COc1ccc(-c2cc(C3(N4CCC(=O)CC4)CC3)ccc2-c2ccc(SC(C)(C)C)cc2)c(C(C)C)c1,CGDOXCUIWDRCGT-UHFFFAOYSA-N
-rxn:5:193866:227501:223139,O=C1CCN(C2(c3ccc(-c4ccc(C=C[N+](=O)[O-])cc4)c(-c4ccc(C5CCNCC5)nc4)c3)CC2)CC1,HNWWLODRUKDLRM-UHFFFAOYSA-N
-rxn:5:193866:228343:223214,COC(=O)c1sc(-c2ccc(C3(N4CCC(=O)CC4)CC3)cc2-c2ccc3c(c2)CCNC3=O)cc1C,URVVAXATESSYEO-UHFFFAOYSA-N
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-rxn:5:193869:226910:227052,CCC(C)(C)c1ccc(-c2cc(C)c(-c3ccc(SC(C)(C)C)cc3)cc2S(=O)(=O)N2CCCCC2)cc1,KBVHGDQWFNOXJJ-UHFFFAOYSA-N
-rxn:5:193870:223147:227449,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2ccc(C3CCOCC3)s2)cc1-c1ccc(C2CNCCO2)cc1,RLDWVKRICHTUBJ-UHFFFAOYSA-N
-rxn:5:193872:226150:227052,CC(C)(C)Sc1ccc(-c2cc(C(=O)N3CCC4(CC3)CC4)ccc2-c2cccc(SC3CCCC3)c2)cc1,AGNFYQHLFFAEOK-UHFFFAOYSA-N
-rxn:5:193872:226441:226926,Cc1cc(C(C)(C)C)ccc1-c1cc(C(=O)N2CCC3(CC2)CC3)ccc1-c1ccc(N2CCCC2)cc1F,UFWGXTGCVBNQPT-UHFFFAOYSA-N
-rxn:5:193872:226971:227045,CC(C)(C)Sc1cccc(-c2cc(C(=O)N3CCC4(CC3)CC4)ccc2-c2ccc3c(c2)CCCOC3)c1,AVELANQIUYKLNT-UHFFFAOYSA-N
-rxn:5:193889:222983:225584,Cc1cc(C)c(S(=O)(=O)c2cccc(-c3cccc(CN4CCC(O)C4)c3)c2C)c(-c2ccc(C(=O)N3CCCC3)cc2)n1,UUTIEILLKKVGRC-UHFFFAOYSA-N
-rxn:5:193892:226739:225976,CC(=O)c1ccc(-c2ccc(N3C(=O)CSC(c4ccc(-c5ccnc(N6CCOCC6)c5F)cc4)C3=O)cc2)cc1[N+](=O)[O-],CBCMTGREZALPJB-UHFFFAOYSA-N
-rxn:5:193912:225797:226330,CC(c1ccc(-c2ccc(C3C(=O)N(c4ccc(-c5ccc(C(C)(C)C)c([N+](=O)[O-])c5)cc4)C(=O)CS3=O)cc2)s1)N1CCCC1,RPUMYPZMWPPERA-UHFFFAOYSA-N
-rxn:5:193968:225809:226466,CN1C(=O)COc2cc(-c3ccc(-c4cc(F)ccc4OC4CCOC4)cc3CN3CCC4(CC3)OCCO4)ccc21,BSGQRCPJNQKCJV-UHFFFAOYSA-N
-rxn:5:193972:225814:228808,CSc1cc(F)cc(-c2cc(S(=O)(=O)N3CCCCCC3)c(-c3cccc(C4(C(F)(F)F)CC4)c3)cc2C)c1,DPCCEMVVRIZBBY-UHFFFAOYSA-N
-rxn:5:193972:226973:228182,Cc1cc(-c2ccc3c(c2)C(C)(C)CO3)c(S(=O)(=O)N2CCCCCC2)cc1-c1cccc(CC(F)F)c1,GGCARRGFJCGUKW-UHFFFAOYSA-N
-rxn:5:193972:227045:227045,Cc1cc(-c2cccc(SC(C)(C)C)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1cccc(SC(C)(C)C)c1,ANUQKFJSAVGKPA-UHFFFAOYSA-N
-rxn:5:193972:227451:227052,Cc1cc(-c2ccc(C3CC3(F)F)cc2)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc(SC(C)(C)C)cc1,NPCPVCWYDFNKRX-UHFFFAOYSA-N
-rxn:5:193972:227589:226959,Cc1cc(OC(F)F)cc(-c2cc(C)c(-c3ccc4c(c3)CC(C)(C)O4)cc2S(=O)(=O)N2CCCCCC2)c1,UNFSQSSWBGBIPT-UHFFFAOYSA-N
-rxn:5:193972:228003:227717,CSc1cc(C)c(-c2cc(C)c(-c3ccc(F)cc3OC(F)F)cc2S(=O)(=O)N2CCCCCC2)c(C)c1,JVWOWAHRTNTMHB-UHFFFAOYSA-N
-rxn:5:194058:223064:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc2[nH]cc(OS(=O)(=O)[O-])c2cc1-c1ccc(C2CCNCC2)nc1F,XXXNVGBBKDTFQB-UHFFFAOYSA-M
-rxn:5:194058:225832:223008,Cc1nn(C2CCCCO2)c(C)c1-c1cc2c(OS(=O)(=O)[O-])c[nH]c2cc1-c1cc(C2CCNCC2)ccc1F,SDDBHRBKDSVMNB-UHFFFAOYSA-M
-rxn:5:194058:225832:223061,Cc1nn(C2CCCCO2)c(C)c1-c1cc2c(OS(=O)(=O)[O-])c[nH]c2cc1-c1cc(C2CCNCC2)ncc1F,DEMMSRWAHDGDMC-UHFFFAOYSA-M
-rxn:5:194733:225666:228944,O=C(c1cc(-c2cc(F)cc(N3CCCCC3)c2)ccc1-c1cc(F)cc(F)c1F)N1C2CCC1CC(=C1CC1)C2,HOMYEXOJKYMTCQ-UHFFFAOYSA-N
-rxn:5:194786:226059:225450,CC(C)c1ccc(-c2ccc(-c3cc4c(n3-c3ccc(-c5ccc(C(=O)C6CCCC6)cc5)cc3)CC(C)(C)CC4=O)cc2)c(C(C)C)c1,DKYRNKSMQVRTGQ-UHFFFAOYSA-N
-rxn:5:194792:227610:226195,Cc1cccc(-c2csc(-c3ccc(N4C(=O)C5C(c6ccc(-c7ccn(C8CCCCO8)n7)cc6)OC6(C(=O)c7ccccc7C6=O)C5C4=O)cc3)c2)c1,SLTXKEIEYGNYLK-UHFFFAOYSA-N
-rxn:5:196188:222998:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(C2=NOCC2)c(-c2cc(F)cc(C3CCCNC3)c2)c1,VFCISPCSZRVVIO-UHFFFAOYSA-N
-rxn:5:196408:222960:225684,Cc1cc(-c2cc(-c3ccc(C4CCOCC4)nc3C)ccc2C2=NOCCO2)cc(C2CCNCC2)c1,YGTOMJXUUWABPN-UHFFFAOYSA-N
-rxn:5:196408:225784:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(C2=NOCCO2)c(-c2ccc(CN3CCOCC3)nc2)c1,HEMLTFYEUILEOP-UHFFFAOYSA-N
-rxn:5:196408:225832:223131,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2ccc(N3CCNCC3)cc2)ccc1C1=NOCCO1,AVYLJMHJAZFDIT-UHFFFAOYSA-N
-rxn:5:196408:226645:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(C2=NOCCO2)c(-c2ccnc(N3CCOCC3)c2)c1,QHGNZDVAFOXHRE-UHFFFAOYSA-N
-rxn:5:196789:225879:225634,Cc1cc(-c2cc(-c3ccc(N4CCOCC4)cc3F)ccc2N2CCOCC2=O)cnc1N1CCCCC1,GPXQCZLWRFVUQB-UHFFFAOYSA-N
-rxn:5:196791:223065:226679,O=C1COCCN1c1cccc(-c2ccc(N3CCNCC3)cc2F)c1-c1cnc(N2CCCC2)cc1F,ZZDVULKBNCXPPI-UHFFFAOYSA-N
-rxn:5:196794:225655:223006,CC1CCN(c2cncc(-c3ccc(-c4ccc(F)c(C5CCNCC5)c4)c(N4CCOCC4=O)c3)c2)CC1,JUPWHKWITJWSPX-UHFFFAOYSA-N
-rxn:5:196794:225976:226583,O=C1COCCN1c1cc(-c2ccnc(N3CCOCC3)c2F)ccc1-c1ccc(CN2CCOCC2)s1,RWTUNJHDPDRUIY-UHFFFAOYSA-N
-rxn:5:196859:222959:225683,Cc1cc(-c2c(C3CCOCC3)ccnc2-c2ccc(C3CCCOC3)nc2C)ccc1C1CCNCC1,PUDDAFKOCWIWBQ-UHFFFAOYSA-N
-rxn:5:196859:225832:223186,Cc1nn(C2CCCCO2)c(C)c1-c1c(C2CCOCC2)ccnc1-c1cnn(C2CCCCO2)c1,BOPGUZLICFWODK-UHFFFAOYSA-N
-rxn:5:196872:225451:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(N2CCOCC2)c(-c2ccc(SC3CCCCC3)cc2)c1,ZQGVBYYLQKDUMJ-UHFFFAOYSA-N
-rxn:5:196873:225832:227611,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(N2CCOCC2)cc1-c1ccnn1C1CCCCO1,NZPWEMNEQDLDMY-UHFFFAOYSA-N
-rxn:5:196873:226686:225638,Cc1cnn(C2CCCCO2)c1-c1ccc(N2CCOCC2)cc1-c1ccc(N2CCC(C)CC2)nc1,HJNIMXZJBWYFFH-UHFFFAOYSA-N
-rxn:5:196916:226898:223135,Cc1nn(S(=O)(=O)N(C)C)cc1-c1cc(-c2cccnc2C2CCCNC2)ccc1N1CCCCC1=O,CUXMRUGZZQUFSW-UHFFFAOYSA-N
-rxn:5:196969:225470:226686,Cc1cnn(C2CCCCO2)c1-c1cc(C2CCCCC2)ncc1-c1ccc(N2CCC(C)CC2)cc1,VXEZUALHAISOHQ-UHFFFAOYSA-N
-rxn:5:196969:226686:225466,Cc1cnn(C2CCCCO2)c1-c1cnc(C2CCCCC2)cc1-c1ccc(N2CCCCC2C)cc1,JBTWDJDELZPIIF-UHFFFAOYSA-N
-rxn:5:196971:225407:225638,CC1CCN(c2ccc(-c3cc(-c4ccc(C5CCCCCC5)cc4)ncc3C3CCCCC3)cn2)CC1,ALVKGTHPKZDTAB-UHFFFAOYSA-N
-rxn:5:197876:223378:222989,Cc1cc(N2CCNCC2)ccc1-c1cc2c(cc1-c1cnc3c(c1)NCCO3)S(=O)(=O)N(C(C)(C)C)C2=O,IAKCHZUKOKTOKH-UHFFFAOYSA-N
-rxn:5:197876:225453:228431,CSc1c(F)cc(F)cc1-c1cc2c(cc1-c1cccc(SC3CCCCC3)c1)S(=O)(=O)N(C(C)(C)C)C2=O,WSMQOTADTHVIJZ-UHFFFAOYSA-N
-rxn:5:197876:225499:228616,CSc1ccc(-c2cc3c(cc2-c2ccc(C4CCCCC4)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c(C)c1,XVDWQQXCJUWHST-UHFFFAOYSA-N
-rxn:5:197876:225499:228918,CC(C)(C)N1C(=O)c2cc(-c3cnccc3C(F)F)c(-c3ccc(C4CCCCC4)cc3F)cc2S1(=O)=O,CIUUBSGBXZPREF-UHFFFAOYSA-N
-rxn:5:197876:225677:228518,CC#Cc1ccc(-c2cc3c(cc2-c2ccc(C4CCCCC4)nc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1,CWQPBZDOFMBXLJ-UHFFFAOYSA-N
-rxn:5:197876:225937:227052,CC(C)c1cnc(C(F)(F)F)cc1-c1cc2c(cc1-c1ccc(SC(C)(C)C)cc1)C(=O)N(C(C)(C)C)S2(=O)=O,MPBICXHSIIAFNA-UHFFFAOYSA-N
-rxn:5:197876:226919:225498,CC(C)(C)N1C(=O)c2cc(-c3cc(C4CCCCC4)ccc3F)c(-c3cccc(C4CCCC4)c3)cc2S1(=O)=O,NYXHGIBRMNIHAV-UHFFFAOYSA-N
-rxn:5:197876:227052:225437,CC(C)(C)Sc1ccc(-c2cc3c(cc2-c2cccc(CN4CCCCC4)c2)C(=O)N(C(C)(C)C)S3(=O)=O)cc1,DQRZRFPASJRJMX-UHFFFAOYSA-N
-rxn:5:197876:227076:225407,CCC(C)c1ccc(F)c(-c2cc3c(cc2-c2ccc(C4CCCCCC4)cc2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,LAAYQWICXSIRJF-UHFFFAOYSA-N
-rxn:5:197876:227086:227724,CC(C)(C)N1C(=O)c2cc(-c3cc(OC(F)F)ccc3F)c(-c3ccnc(C4CCCC4)c3)cc2S1(=O)=O,GXLWIELPDHNYEC-UHFFFAOYSA-N
-rxn:5:197876:227094:225450,CC(C)(C)N1C(=O)c2cc(-c3ccc(C(=O)C4CCCC4)cc3)c(-c3cnccc3C3CCCC3)cc2S1(=O)=O,KRTMMBDFCGKBLC-UHFFFAOYSA-N
-rxn:5:197876:227102:226129,CC(C)(C)c1ccc(F)c(-c2cc3c(cc2-c2cccc(CN4CCCC4)c2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,BMOOWYIHGOSKPX-UHFFFAOYSA-N
-rxn:5:197876:227102:227670,CC(C)(C)c1ccc(F)c(-c2cc3c(cc2-c2cc(F)cc(C(C)(F)F)c2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,PJGZCGPJCJXLSE-UHFFFAOYSA-N
-rxn:5:197876:227103:227912,COC(C)c1ccc(-c2cc3c(cc2-c2sccc2C2CCCCC2)S(=O)(=O)N(C(C)(C)C)C3=O)cc1,PGCXXPLIRAFKHZ-UHFFFAOYSA-N
-rxn:5:197876:227203:222987,Cc1nc(C2CCNCC2)ccc1-c1cc2c(cc1-c1ccc3c(c1)OCCCO3)S(=O)(=O)N(C(C)(C)C)C2=O,MFNQNKAUKAPWRI-UHFFFAOYSA-N
-rxn:5:197876:227205:222987,Cc1nc(C2CCNCC2)ccc1-c1cc2c(cc1-c1cccc3c1OCCCO3)S(=O)(=O)N(C(C)(C)C)C2=O,TYBDJGONJWXXLP-UHFFFAOYSA-N
-rxn:5:197876:227314:227076,CCC(C)c1ccc(F)c(-c2cc3c(cc2-c2ccc(CC(C)C)nc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,TYOJIOHXHOEPPO-UHFFFAOYSA-N
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-rxn:5:197876:227906:226067,CCC(C)c1ncccc1-c1cc2c(cc1-c1ccc(C3=CCCCC3)cc1)C(=O)N(C(C)(C)C)S2(=O)=O,NZDZIGJZUVEMLC-UHFFFAOYSA-N
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-rxn:4:173593:223836,COc1ncnc2c1cc(-c1ccc(COC(=O)c3cc(C(C)(C)C)cc(C(C)(C)C)c3)cc1)n2C(=O)OC(C)(C)C,WEJWZTZXRWHOLT-UHFFFAOYSA-N
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-rxn:4:174302:224394,CCOC(=O)C(C)(C)c1ccc(-c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)cc1OC,UPUVOATTZZNIPA-UHFFFAOYSA-N
-rxn:4:174308:223866,COC(=O)C(C)(C)COc1ccc(-c2ccccc2CN2C(C)(C)CCCC2(C)C)c(C)c1,GSIFRDVWTKLICG-UHFFFAOYSA-N
-rxn:4:174310:223492,Cc1cc(-c2c(C)cc(OCCCS(C)(=O)=O)cc2C)ccc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,ZVUXITDOOSWMRO-UHFFFAOYSA-N
-rxn:4:174407:224916,COC(=O)C1(c2cccc(-c3ccc(N4CCCC(C)C4)cc3C)c2)CC(OC)(OC)C1,QIEPYBXPMXXMFJ-UHFFFAOYSA-N
-rxn:4:174437:226039,CCc1nn(S(=O)(=O)N(C)C)cc1-c1cc(CC2(C(=O)OC(C)(C)C)CC2)ccc1F,ZUVZUPNUAHEVOE-UHFFFAOYSA-N
-rxn:4:174450:224177,CC(C)COc1cc(-c2cc(O[C@@H]3CCOC3)cc(C(=O)OC(C)(C)C)c2)cc(Cl)c1OC(C)C,ZXZSDAFQOXGUIG-JOCHJYFZSA-N
-rxn:4:174484:224421,COc1ccc(-c2c(C(C)C)cc(C(C)C)cc2C(C)C)c(CO[Si](C)(C)C(C)(C)C)c1,VKNZPUHSXHOSBY-UHFFFAOYSA-N
-rxn:4:174493:222775,CC1(C)COC(CCCC(=O)c2ccc(Cl)c(-c3ccc(CN4CCC(O)CC4)c(F)c3)c2)OC1,WKJLXDFCXCBQRZ-UHFFFAOYSA-N
-rxn:4:174498:224243,COc1cccc(-c2cc(C(=O)OC(C)(C)C)cc(-c3cc(F)cc(C(=O)N4CCCCC4C)c3)c2)c1F,IUNNBGGSSWMQBE-UHFFFAOYSA-N
-rxn:4:174518:224970,CC(C)[Si](Oc1ccc(F)c(-c2ccc(S[Si](C)(C)C(C)(C)C)cc2)c1)(C(C)C)C(C)C,CFZAWMNYBVCDPK-UHFFFAOYSA-N
-rxn:4:174519:223790,CC(C)(C)OC(=O)N1CCCC1c1cncc(-c2cc(F)c(OC3CCC(OCc4ccccc4)CC3)c(F)c2)c1,CJTQXVXYMSQTAB-UHFFFAOYSA-N
-rxn:4:174522:224607,CC(C)[Si](C#Cc1ccc(-c2ccc(C(=O)OCC[Si](C)(C)C)cc2)cc1)(C(C)C)C(C)C,IEAIKRWBIGUCOS-UHFFFAOYSA-N
-rxn:4:174522:224961,CC(C)[Si](C#Cc1ccc(-c2ccc(O[Si](C)(C)C(C)(C)C)cc2)cc1)(C(C)C)C(C)C,CRBCYZDLXBVNIA-UHFFFAOYSA-N
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-rxn:4:174549:222462,CCC(=O)Oc1cc2c(C(=O)OC)c(C)oc2cc1-c1c(F)cc2nc(NC(=O)OC(C)(C)C)sc2c1F,PPPSAGTWFHQVCC-UHFFFAOYSA-N
-rxn:4:174563:224848,CC[C@H]1CC[C@H](c2ccc(-c3cc(OCC45CC(C(=O)OC)(C4)C5)ccc3C)cc2)CC1,MBLOBOZKQXZUKT-CLWQIQQCSA-N
-rxn:4:174656:222715,CC(C)[Si](C#Cc1cccc2cccc(-c3cc(Cl)c(F)c(NC(=O)OC(C)(C)C)c3)c12)(C(C)C)C(C)C,NWJJBMQJWNIMLW-UHFFFAOYSA-N
-rxn:4:174656:223636,CC(C)[Si](C#Cc1cccc2cccc(-c3ccc(C4CCCN(C(=O)OC(C)(C)C)C4)cc3)c12)(C(C)C)C(C)C,QHNVNDYPPWYEIY-UHFFFAOYSA-N
-rxn:4:174972:223592,CCCCOc1ccc(F)c(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2Cl)c1,IZWBFIDMXXLABH-UHFFFAOYSA-N
-rxn:4:175108:223536,CC(=O)CCCc1ccc(-c2cc(F)c(F)c(N3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1,CCIDDCKZJSTMCO-UHFFFAOYSA-N
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-rxn:4:175862:223521,CC[Si](CC)(CC)c1c(F)ccc(-c2cccc(C(C)N3CCN(C(=O)OC(C)(C)C)CC3)c2)c1F,YFXLSRYRFYKLIK-UHFFFAOYSA-N
-rxn:4:176044:224394,Cc1ccc(-c2ccc(C3(C)OCCO3)cc2C(=O)OC(C)C)cc1S(=O)(=O)N1CCOCC1,NCZXNJWDCBXTLX-UHFFFAOYSA-N
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-rxn:4:176317:226224,CCOCCOc1ccc(-c2ccc(OCC(F)(F)F)c(C34CC5CC(CC(C5)C3)C4)c2)cc1,ODDQJSXQXMEIDO-UHFFFAOYSA-N
-rxn:4:176322:224927,CCC1(CC)CC(C)(C)c2c1cc1c(c2-c2ccc(C(=O)OC)c3ccccc23)C(C)(C)CC1(CC)CC,GKJDHQVTYLLJNO-UHFFFAOYSA-N
-rxn:4:176322:228784,CCC1(CC)CC(C)(C)c2c1cc1c(c2-c2ccc(F)c(OC)c2)C(C)(C)CC1(CC)CC,XARKCIRHNZJUEA-UHFFFAOYSA-N
-rxn:4:176444:222465,FC(F)(F)Oc1ccc(-c2cc(C3CCCCC3)nc(C3CCCNC3)c2)c(C(F)(F)F)c1,VGLLLYMFTGEZSC-UHFFFAOYSA-N
-rxn:4:176509:222511,CSc1c(OC(F)(F)F)ccc(-c2cc(C(=O)NC3CCCCC3)cc([N+](=O)[O-])c2)c1Cl,ATAYIGAYFVYFTK-UHFFFAOYSA-N
-rxn:4:176517:223637,CC(C)(C)OC(=O)N1CCCC(c2ccccc2-c2cc(C(F)(F)F)cc(F)c2C(=O)C(F)(F)F)C1,YEMHUOAXXGDVOK-UHFFFAOYSA-N
-rxn:4:176846:223591,COC(=O)c1cccc(-c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)ccc2F)c1SC,NJPPAPSCIDCLDK-UHFFFAOYSA-N
-rxn:4:177057:223499,COC(=O)c1cc(C(C)=O)ccc1-c1ccc(Cl)c(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1,XEMCRARDPLSADV-UHFFFAOYSA-N
-rxn:4:177218:223505,CCc1c(C(=O)OC)ccc(-c2ccc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cc2)c1F,IYCGYENVZOVNLE-UHFFFAOYSA-N
-rxn:4:178154:224960,COc1ccc(-c2c(F)c(F)c(COC3CCCCO3)c(F)c2F)cc1OC1CCCC1,WXAQSCRVFCOEFD-UHFFFAOYSA-N
-rxn:4:178179:223898,COC(=O)C1(c2cccc(-c3ccc(N(C(=O)OC(C)(C)C)C(C)C)cc3)c2)CCCC1,KAGKHDJOLVFFQN-UHFFFAOYSA-N
-rxn:4:178254:223573,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cccc(S(=O)(=O)CC4CCOCC4)c3)cc2)CC1,JNYCNDSTJNSJDJ-UHFFFAOYSA-N
-rxn:4:178292:225114,COC(=O)C1(c2cccc(-c3csc(CO[Si](C)(C)C(C)(C)C)c3)c2)CCC(=O)CC1,DLRDLCQQJVFZMM-UHFFFAOYSA-N
-rxn:4:178329:222723,O=S(=O)(CC1CCCCC1)c1cccc(-c2cccc(NS(=O)(=O)N3CCOCC3)c2)c1,IQKLTULPAMCXGH-UHFFFAOYSA-N
-rxn:4:178381:224584,CC1CCN(C(=O)c2cccc(-c3c(C(C)(C)C)cc(C(C)(C)C)cc3C(C)(C)C)c2)CC1,HYDBDYBJYDJEST-UHFFFAOYSA-N
-rxn:4:178384:223170,c1nc(C2CCCNC2)ncc1-c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1,FGVSNDNPMORZGQ-UHFFFAOYSA-N
-rxn:4:178384:225055,CC1CCCN(c2ccc(-c3c(C4CCCCC4)cc(C4CCCCC4)cc3C3CCCCC3)c(Cl)c2)C1,RRYROQTTXPGJFZ-UHFFFAOYSA-N
-rxn:4:178384:227265,CCOCc1cc(F)cc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c1,LUEIKYNZMOGVIQ-UHFFFAOYSA-N
-rxn:4:178384:228831,Cc1c(F)ccc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c1Cl,LHWNCKFEPFPUDN-UHFFFAOYSA-N
-rxn:4:178384:228914,COc1c(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)ccnc1F,VGNRXIBRKLMHQO-UHFFFAOYSA-N
-rxn:4:178497:222598,COc1ccc(-c2cc(C)c(S(=O)(=O)NC3CCCC3)c(C)c2)cc1S(=O)(=O)C12CC(C1)C2,QCVBKRPCEGBDPO-UHFFFAOYSA-N
-rxn:4:178597:227461,Cc1cn2cc(-c3ccc(OC(=O)C4OC5OC(C)(C)OC5C5OC(C)(C)OC45)cc3)cc(F)c2n1,QBBIURSEWAPFOZ-UHFFFAOYSA-N
-rxn:4:178867:223597,COC(=O)c1cc(Cl)c(F)cc1-c1ccc(OCCN2CCC3(CC2)OCCO3)c(Cl)c1,JUYFEWGPMNMZPZ-UHFFFAOYSA-N
-rxn:4:179325:222602,CC(=O)c1c(F)ccc(C(F)(F)F)c1-c1cc(CC(C)C)sc1S(=O)(=O)NC(C)(C)C,XNPUFUPQMMBHSA-UHFFFAOYSA-N
-rxn:4:179640:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3c(C4CC4)cccc3C(F)(F)F)c2)CC1,YWCRJIKNZCUFCY-UHFFFAOYSA-N
-rxn:4:179796:223597,COc1ccc(C2COC2)c(-c2ccc(OCCN3CCC4(CC3)OCCO4)c(Cl)c2)c1,WUWSYDUIQUGASY-UHFFFAOYSA-N
-rxn:4:180243:223644,CCOC(=O)C1CCCN(C(=O)c2ccc(-c3ccc(C4COCCO4)c(C(F)(F)F)c3)cc2)C1,MWAOTVFHQADUDB-UHFFFAOYSA-N
-rxn:4:180387:223696,COc1cc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc2)cc(C2CCOCC2)c1,CFLFGGYKNSMLRA-UHFFFAOYSA-N
-rxn:4:180400:223835,Cc1cc(F)c(-c2ccc(C3CC3)c(C3CCCO3)c2)cc1S(=O)(=O)N1CCC(C)CC1,ITWJXKKSOOMIRD-UHFFFAOYSA-N
-rxn:4:180508:224060,COc1c(C(C)(C)C)cc(-c2ccc(SC3C(=O)CC(C)(C)CC3=O)cc2)cc1C(C)(C)C,BSLFSDHWQNAJEA-UHFFFAOYSA-N
-rxn:4:180815:224848,CC[C@H]1CC[C@H](c2ccc(-c3ccc(OC)c(C45CC6CC(CC(C6)C4)C5)c3)cc2)CC1,XFEHJCSVVVIYHS-LEGWHGHMSA-N
-rxn:4:180815:225220,COc1ccc(-c2cnc(N3CCCCC3C)c(Cl)c2)cc1C12CC3CC(CC(C3)C1)C2,LHDLGSNZSUTDFV-UHFFFAOYSA-N
-rxn:4:180815:225319,COc1ccc(-c2cc(F)c(F)c(N3CCOCC3)c2)cc1C12CC3CC(CC(C3)C1)C2,AWTPPAHRTFDKRT-UHFFFAOYSA-N
-rxn:4:181523:223507,CC(=O)c1cc(C)cc(-c2ccccc2S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1,FVOPRDIZMZFYRF-UHFFFAOYSA-N
-rxn:4:182207:223533,COc1cc2c(cc1-c1ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)cc1F)C(=O)CC2,IYAVOMFWWXNKCN-UHFFFAOYSA-N
-rxn:4:182250:223525,COc1cc2c(c(-c3cccc(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c3)c1)C(=O)CCO2,RRMUBQJQTTXQHY-UHFFFAOYSA-N
-rxn:4:182347:224777,CC1(C)CC(=O)c2c(S(C)(=O)=O)sc(-c3cnc(C4CCCC4)c(C(F)(F)F)c3)c2C1,JKONODPHRPZTMK-UHFFFAOYSA-N
-rxn:4:182372:224689,CO[C@H]1CC[C@]2(CC1)Cc1ccc(-c3ccc(C(=O)N4CCCCC4)cc3Cl)cc1C2=O,OXCXPGWGPDSNLZ-GBWRQWNLSA-N
-rxn:4:182374:222428,COc1ccc(CNS(=O)(=O)c2c(C)cc(-c3cc4c(cc3C(C)=O)C(C)(C)CCC4(C)C)cc2C)cc1,KYSKFIDATQBPGF-UHFFFAOYSA-N
-rxn:4:182374:222815,CC(=O)c1cc2c(cc1-c1ccc(S(=O)(=O)NC(=O)C(C)C)cc1)C(C)(C)CCC2(C)C,AGXSKBMBRJDRFL-UHFFFAOYSA-N
-rxn:4:182376:222704,CO[C@H]1[C@H](C)C[C@@]2(Cc3ccc(-c4ccc(C5CCNCC5)c(C(F)(F)F)c4)cc3C2=O)C[C@@H]1C,SZHRTTBROAUCOA-OSELZAKSSA-N
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-rxn:4:182396:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1,ASEHWYFGKOMLJQ-UHFFFAOYSA-N
-rxn:4:183152:223528,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3ccc4c(c3)S(=O)(=O)CCOC4)ccc2F)CC1,MPULZJPJIUJANJ-UHFFFAOYSA-N
-rxn:4:183262:223847,CCCCCC1CCC(c2ccc(-c3ccc4c(c3)C(=O)CC3(CCOCC3)O4)cc2)CC1,HYBOTDBWTBYVCJ-UHFFFAOYSA-N
-rxn:4:183274:227957,Cc1nc(C(C)C)ccc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCOCCO2,YNVBRJCYWNFJCR-UHFFFAOYSA-N
-rxn:4:183274:228824,Cc1cc(F)c(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCOCCO3)c(F)c1,WHMPMUDTACDNLC-UHFFFAOYSA-N
-rxn:4:183274:228826,Cc1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCOCCO3)c(F)cc1F,AOADTEOFWNNHNW-UHFFFAOYSA-N
-rxn:4:183274:228889,CCc1nc(Cl)ncc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCOCCO2,CFAIBEVOLCGEKK-UHFFFAOYSA-N
-rxn:4:183485:222616,CCOC(=O)Cc1ccc(C(F)F)c(C#N)c1-c1cc(C2CCNCC2)cc(C(C)(C)C)c1,UZDCXSHGUWMSFC-UHFFFAOYSA-N
-rxn:4:183534:224487,CCOC(=O)Cc1cc(C(F)(F)F)c(-c2cccc(OCCN3CCCCC3)c2)cc1C#N,NIKNJUSZCGDUTE-UHFFFAOYSA-N
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-rxn:4:183695:224594,CC(=O)N1CCCCC1c1ccccc1-c1cc(OC(F)(F)F)ccc1OCC(=O)N1CCCC1,GQYPMSXMPJKQQQ-UHFFFAOYSA-N
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-rxn:4:183738:224572,CCOc1ccc(-c2ccc(N3CCCC(C)C3)cc2C#N)cc1S(=O)(=O)N(CC)CC,MNTMCHQQECZVSG-UHFFFAOYSA-N
-rxn:4:183770:226098,CCCCOc1ccc(-c2ccc(OC(F)(F)F)cc2OCC(=O)N2CCCCC2)cc1C,GBWIHVGMAWVCAQ-UHFFFAOYSA-N
-rxn:4:183803:225730,CCCCOc1c(Cl)ccc(-c2ccc(OC(F)(F)F)cc2OCCN2CCCCC2)c1F,AAZUEOFKUVTJDM-UHFFFAOYSA-N
-rxn:4:183807:226894,CC(C)COc1cc(-c2cc(Cl)c(F)cc2C(F)(F)F)ccc1C(=O)ON1C(=O)CCC1=O,HFVNPZJQERMFEE-UHFFFAOYSA-N
-rxn:4:183808:223995,CN1CCN(c2cc(-c3ccc(OC(F)(F)F)cc3OCCN3CCC(F)(F)CC3)cc(C(F)(F)F)c2)CC1,OLYVOIGPNGRGFM-UHFFFAOYSA-N
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-rxn:4:183937:222632,CC(C)(C)OC(=O)N(Cc1ccc(F)cc1-c1cccc(C(=O)NCCN2CCCC2)c1)C1CCC1,GRPMHCCNTCNEMG-UHFFFAOYSA-N
-rxn:4:183969:222848,CCOC(=O)C1CCN(S(=O)(=O)c2ccc(-c3cc(CC)nc(C4CCCNC4)c3)c(OC)c2)CC1,UVDQCQKPXPVVNT-UHFFFAOYSA-N
-rxn:4:183970:225747,CCOC(=O)C1CCN(S(=O)(=O)c2cc(-c3ccc(C)n3C(=O)OC(C)(C)C)ccc2OC)CC1,QMEHPLLDSOOIHP-UHFFFAOYSA-N
-rxn:4:183983:224849,Cc1ccc(-c2cc(C3CCCC3)cc(C3CC3)c2)cc1CN(C(=O)OC(C)(C)C)C(C)C,SBMQTXHBSKBWGL-UHFFFAOYSA-N
-rxn:4:183988:224827,COC(=O)c1ccc(OC(F)(F)F)cc1-c1ccc(C(=O)N2CCC(CSc3ccc(OC)cc3)CC2)o1,OCAKLADAIQYRQX-UHFFFAOYSA-N
-rxn:4:183994:226539,CCOC(=O)c1ccc(Cl)cc1-c1ccc(CN(C(=O)OC(C)(C)C)C2CCCC2)cc1,FDAAMWMEFGXQPB-UHFFFAOYSA-N
-rxn:4:184003:222774,O=C(Cc1ccc(-c2ccc(F)c(CN3CCC(O)CC3)c2)cc1)N1CCC(S(=O)(=O)Cc2ccco2)CC1,QAMFQDIFIOJVJR-UHFFFAOYSA-N
-rxn:4:184020:222638,Cc1cc(-c2cccc(C(C)NC(=O)OC(C)(C)C)c2)ccc1OC[C@@H]1CCCN1C(=O)OC(C)(C)C,AHMJNPANBKKSJE-QBGQUKIHSA-N
-rxn:4:184053:223181,CCNS(=O)(=O)c1cccc(-c2cc(CN(C)C(=O)OC(C)(C)C)cc(C(C)(C)C)c2)c1,MQDAZRMZNAISJM-UHFFFAOYSA-N
-rxn:4:184095:228945,CC(C)(C)[Si](C)(C)OC[C@H]1CCCN1S(=O)(=O)c1ccc(-c2c(F)ccc(F)c2F)cc1,OUMWLCKBXMEXSM-QGZVFWFLSA-N
-rxn:4:184096:227255,COC(=O)Cc1cccc(-c2ccc(CN(C(=O)OC(C)(C)C)C3CCC(C)(C)CC3)cc2)c1,WIRJGSOXPSKZLX-UHFFFAOYSA-N
-rxn:4:184096:228834,Cc1cc(Cl)c(-c2ccc(CN(C(=O)OC(C)(C)C)C3CCC(C)(C)CC3)cc2)cc1F,GNGPMEJIYARIBR-UHFFFAOYSA-N
-rxn:4:184099:224466,CC(c1ccc(-c2cc(-c3ccoc3)cc(C(C)(C)C)c2)cc1)N(C(=O)OC(C)(C)C)C1CCC(C)(C)CC1,ZXCRZUZHPREHIP-UHFFFAOYSA-N
-rxn:4:184099:224936,CC(c1ccc(-c2ccc(CC(=O)OC(C)(C)C)cc2)cc1)N(C(=O)OC(C)(C)C)C1CCC(C)(C)CC1,VNMSWLYDCQSKPV-UHFFFAOYSA-N
-rxn:4:184100:222848,CCc1cc(-c2cc(C)cc(CN(C(=O)OC(C)(C)C)C3CCC(C)(C)CC3)c2)cc(C2CCCNC2)n1,UNFCYCMKKNRZHO-UHFFFAOYSA-N
-rxn:4:184100:227052,Cc1cc(CN(C(=O)OC(C)(C)C)C2CCC(C)(C)CC2)cc(-c2ccc(SC(C)(C)C)cc2)c1,XCWUUYALLOFSDA-UHFFFAOYSA-N
-rxn:4:184100:227920,CCC(=O)c1ccc(-c2cc(C)cc(CN(C(=O)OC(C)(C)C)C3CCC(C)(C)CC3)c2)cc1,ZONZOAMNHZDQBW-UHFFFAOYSA-N
-rxn:4:184137:222799,COc1cc(-c2ccc(S(=O)(=O)NC(C)(C)C)c(C)c2)ccc1OCCCN1C(=O)c2ccccc2C1=O,OJBJPTPAXPVASY-UHFFFAOYSA-N
-rxn:4:184156:225294,CCN1CCN(c2ncc(-c3ccccc3C=C3Oc4cc(OC(=O)N(CC)CC)ccc4C3=O)cn2)CC1,GSMCZYWNODDGGL-UHFFFAOYSA-N
-rxn:4:184175:223574,CC(C)CCOc1ccc(CN2C(=O)C(=O)c3cc(-c4cccc(CN5CCN(C(=O)OC(C)(C)C)CC5)c4)ccc32)cc1,DCEYEEQCKNMIQN-UHFFFAOYSA-N
-rxn:4:184248:222630,Cc1cc2oc3c(c(=O)c2cc1C)C(c1cccc(-c2cc(C4CCC4)nc(C4CCNCC4)c2)c1)N(CCCOC(C)C)C3=O,IFWDTMSEJSKULR-UHFFFAOYSA-N
-rxn:4:184277:224761,N#Cc1ccc(-c2cccc(S(=O)(=O)N3CCCCC3)c2)cc1OC(C(F)(F)F)C(F)(F)F,XALBUUHYZSBGAJ-UHFFFAOYSA-N
-rxn:4:184278:225170,N#Cc1cc(-c2cc(F)ccc2CN2CCOCC2)ccc1OC(C(F)(F)F)C(F)(F)F,DRNZCPXZVBINMB-UHFFFAOYSA-N
-rxn:4:184530:223689,CCN1CCN(S(=O)(=O)c2cc(-c3cc(OC)cc(C#N)c3CC(=O)OC)ccc2OC)CC1,PKNZEWULDKODES-UHFFFAOYSA-N
-rxn:4:184653:223952,CCOC(=O)Cc1cc(-c2ccc(OCCN3CCN(C)CC3)c(Cl)c2)cc(C#N)c1C,QMAMIMMZHXMKQZ-UHFFFAOYSA-N
-rxn:4:184711:223902,CCOC(=O)C(C)(C)Sc1ncccc1-c1ccc(OCCN2CCC(C)CC2)c(F)c1,NKTAASKFARUNFJ-UHFFFAOYSA-N
-rxn:4:184835:223576,CCN(CC)C(=O)c1cc(Cl)c(OC)c(-c2cccc(OC3CCN(C(=O)OC(C)(C)C)CC3)c2)c1,OSQCDJXWIBJRLU-UHFFFAOYSA-N
-rxn:4:184866:224306,CCN(CC)S(=O)(=O)c1ccc(OC)c(-c2ccc(C(F)(F)F)cc2OC2CCCC2)c1,USBFAIBESMJESJ-UHFFFAOYSA-N
-rxn:4:184885:224683,O=C(c1cc(F)cc(-c2ccc(C(=O)N(CC(F)(F)F)C3CCOCC3)o2)c1)N1CCCCC1,BOIHAJAVINFYCM-UHFFFAOYSA-N
-rxn:4:184931:224501,COC(=O)CN1C(=O)C(=Cc2ccc(OC)c(-c3ccc(OCC4CCCCN4C)cc3)c2)SC1=S,DULXZBCLQVTFOP-UHFFFAOYSA-N
-rxn:4:184952:224810,CN(Cc1ccc(F)cc1-c1cnc(N2CCCC2)c(C(F)(F)F)c1)C(=O)OC(C)(C)C,DYOIUVDDURBIPM-UHFFFAOYSA-N
-rxn:4:184987:222636,CC(C)COc1cc(-c2ccc([C@@H](C)NC(=O)OC(C)(C)C)cc2)ccc1C(=O)N1CCC1,LBWIPOQAPDFRRF-LJQANCHMSA-N
-rxn:4:185013:222826,O=C(c1ccc(-c2cccc(S(=O)(=O)N3CCNCC3)c2)o1)N1CCC(S(=O)(=O)Cc2ccco2)C1,JTTOKTFPJAHUOZ-UHFFFAOYSA-N
-rxn:4:185019:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2ccc(CC(=O)N(C(C)C)C(C)C)cc2)cc1,OUWLGBMMCOGIAE-UHFFFAOYSA-N
-rxn:4:185026:222945,CC(C)NS(=O)(=O)c1ccc(-c2ccc(SC3CN(C(=O)OC(C)(C)C)C3)cc2)cc1F,IANQSWXCOGGXDB-UHFFFAOYSA-N
-rxn:4:185028:222912,CC(C)CNS(=O)(=O)c1ccc(-c2ccccc2SC2CN(C(=O)OC(C)(C)C)C2)cc1,DUKVQMJWVXZDLB-UHFFFAOYSA-N
-rxn:4:185036:222912,CC(C)CNS(=O)(=O)c1ccc(-c2ccccc2OCC2CCN(CC(F)F)CC2)cc1,PVBLSNAADKBROE-UHFFFAOYSA-N
-rxn:4:185040:222708,COC1CCN(C(=O)COc2cccc(-c3ccc(S(=O)(=O)NC(=O)CC(C)C)cc3)c2)CC1,PYHZPLIFGJFFKC-UHFFFAOYSA-N
-rxn:4:185044:223896,COc1cccc(-c2cc(Cl)cc(OC3CN(C(=O)OC(C)(C)C)C3)c2)c1C(=O)N(C(C)C)C(C)C,HXOQXJBROMJFHZ-UHFFFAOYSA-N
-rxn:4:185091:223976,Cc1ccc(-c2cc(OC3CCCC3)cc(OC(F)(F)F)c2)cc1OCCCN1CCOCC1,DEPPDYKNHZFEFO-UHFFFAOYSA-N
-rxn:4:185094:223866,COc1ccc(C(=O)N(C(C)C)C(C)C)c(-c2ccccc2CN2C(C)(C)CCCC2(C)C)c1,JDDHRHBBZFZQAT-UHFFFAOYSA-N
-rxn:4:185107:224609,CC(C)N(C(=O)c1ccncc1-c1cnc(S(=O)(=O)C(C)C)c(C(=O)OC(C)(C)C)c1)C(C)C,LOHMUBCUAAFDDB-UHFFFAOYSA-N
-rxn:4:185126:223597,CC(C)(C)[Si](C)(C)OCc1c(-c2ccc(OCCN3CCC4(CC3)OCCO4)c(Cl)c2)cccc1[N+](=O)[O-],GBKMXKHIAVNYOI-UHFFFAOYSA-N
-rxn:4:185129:225386,CC(CN1CCCCC1)OC(=O)c1ccccc1-c1cc(F)c(C(F)(F)F)cc1[N+](=O)[O-],RLFCQKYKBLMWAD-UHFFFAOYSA-N
-rxn:4:185135:224587,COC(=O)C1CCN(CCc2cc(-c3ccc(CN4CCC(C)CC4)c(F)c3)ccc2Cl)CC1,GDPDHQPPCDKSNK-UHFFFAOYSA-N
-rxn:4:185138:222542,COC(=O)C1CCN(CCc2cc(-c3ccc(C)c(OCCCN4CCNCC4)c3)ccc2F)CC1,SGCXXWOQWHLQSM-UHFFFAOYSA-N
-rxn:4:185139:223883,COC(=O)C1CCN(CCc2ccc(F)c(-c3ccc4c(c3)CCCN4C(=O)OC(C)(C)C)c2)CC1,NAHAUZMTQFOHLW-UHFFFAOYSA-N
-rxn:4:185150:224060,COc1c(C(C)(C)C)cc(-c2ccccc2S(=O)(=O)C2CN(C(=O)OC(C)(C)C)C2)cc1C(C)(C)C,RGYPTRUOEAKJHJ-UHFFFAOYSA-N
-rxn:4:185155:223598,COC(=O)c1ccc(-c2ccc(OCCN3CCC4(CC3)OCCO4)c(F)c2)cc1CN1CCC(C(F)(F)F)CC1,BMJQDOFQNLBUEU-UHFFFAOYSA-N
-rxn:4:185162:223108,CC(C)CNCc1ccc(-c2ccc(C(F)(F)F)cc2C2CN(C(=O)OC(C)(C)C)C2)cc1,LFURGVQATGRRJY-UHFFFAOYSA-N
-rxn:4:185162:223180,CONC(=O)c1ccc(-c2ccc(C(F)(F)F)cc2C2CN(C(=O)OC(C)(C)C)C2)cc1F,LORUQCUKCUEAIO-UHFFFAOYSA-N
-rxn:4:185179:224552,O=C(c1ccc(F)cc1)N(Cc1ccc(-c2cc(F)cc(COC3CCCCC3)c2)o1)C1CCS(=O)(=O)C1,RJVPUZBVHVIWOH-UHFFFAOYSA-N
-rxn:4:185212:226589,CC(C)c1cnc(C(F)F)cc1-c1ccc(CC2COS(=O)(=O)N2C(=O)OC(C)(C)C)cc1,LIDPWYGGHDADIE-UHFFFAOYSA-N
-rxn:4:185232:224007,CC(C)COc1cc(OC(F)(F)F)cc(-c2ccc(OCc3ccccc3)c(C(=O)N3CCC(F)(F)C3)c2)c1F,MBRIGIGISAJIKV-UHFFFAOYSA-N
-rxn:4:185246:223103,CC(C)(C)NS(=O)(=O)c1ccc(-c2cccc(CC3C(=O)CCN3C(=O)OC(C)(C)C)c2)s1,KISZIFOMZQXORX-UHFFFAOYSA-N
-rxn:4:185259:222447,COc1ccc2c(c1-c1cc(C(C)C)ccc1OCC(=O)N1CCCCC1)N=C(NC(=O)OC(C)(C)C)C2,YWRLVEMJNAYPHJ-UHFFFAOYSA-N
-rxn:4:185260:225294,CCN1CCN(c2ncc(-c3ccc(CC4CCN(C(=O)OC(C)(C)C)C4)cc3)cn2)CC1,HGQMLZQAJRPEMH-UHFFFAOYSA-N
-rxn:4:185265:225341,CCOc1ccc(OC(F)(F)F)c(-c2cccc(C3CN(CC(=O)OC(C)(C)C)C(=O)CO3)c2)c1,VTZFRFHQGKAWKP-UHFFFAOYSA-N
-rxn:4:185278:223103,CC(C)(C)NS(=O)(=O)c1ccc(-c2cccc(C(=O)N3CCC(S(=O)(=O)Cc4ccco4)CC3)c2)s1,MOOTUKXIADEHDI-UHFFFAOYSA-N
-rxn:4:185304:224409,CCN(C1CCCCC1)S(=O)(=O)c1ccc(-c2cc(OCC(F)(F)F)cc(C(F)(F)F)c2)c(OC)c1,IYCMNBWMMGDEBQ-UHFFFAOYSA-N
-rxn:4:185310:226062,CC(C)c1cc(-c2ccc(SC3CCN(C(=O)OC(C)(C)C)CC3)cc2)cc(C(C)C)c1,WIOZAIKPBCRMTC-UHFFFAOYSA-N
-rxn:4:185319:224255,CC1CCCN(C(=O)c2cc(F)cc(-c3ccc(C4CN(C(=O)OC(C)(C)C)C4)c(C4CC4)c3)c2)C1,ZWBGKGQCTOILIL-UHFFFAOYSA-N
-rxn:4:185323:224286,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3ccc(OCCN4CCOCC4)c(Cl)c3)cc2F)CC1,NZGFFACDRCOICN-UHFFFAOYSA-N
-rxn:4:185344:226352,COc1cc(C=C2SC(=S)N(c3ccccc3-c3cc(C)c(OC(C)C)cc3Cl)C2=O)cc(OC)c1OC,CYTMUMUGYYPPKA-UHFFFAOYSA-N
-rxn:4:185350:222933,CC(C)CS(=O)(=O)C1CCN(C(=O)c2cccc(-c3cnc(NC(=O)OC(C)(C)C)nc3)c2)CC1,JTQRTDDJXZRHGQ-UHFFFAOYSA-N
-rxn:4:185350:224277,CC(C)CS(=O)(=O)C1CCN(C(=O)c2cccc(-c3ccnc4c3ccn4C(=O)OC(C)(C)C)c2)CC1,HXCLFQKRUKTFHI-UHFFFAOYSA-N
-rxn:4:185369:225552,CCN(C)c1cc(-c2cccc(C(=O)N3CCCCC3CSC(C)(C)C)c2)cc(C2CC2)n1,BEZFKHOOBGZREN-UHFFFAOYSA-N
-rxn:4:185379:226021,CC(C)(C)OC(=O)N1CCC(C(F)(F)c2cccc(-c3cc(Cl)ccc3OCC(F)(F)F)c2)CC1,DKKAEMSSMPKNQW-UHFFFAOYSA-N
-rxn:4:185379:228974,CC(C)(C)OC(=O)N1CCC(C(F)(F)c2cccc(-c3cnn(S(C)(=O)=O)c3)c2)CC1,PONVNRBPGAEOFA-UHFFFAOYSA-N
-rxn:4:185417:225688,CC(C)c1ccc(N(C(=O)c2ccc(-c3cnc(C4CCCCC4)c(Cl)c3)cc2)C2C=CS(=O)(=O)C2)cc1,UMCRQIRSNORKCK-UHFFFAOYSA-N
-rxn:4:185423:223493,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1cc(C2CC2)cc(C2CN(C(=O)OC(C)(C)C)CCO2)c1,YBSOWKSQGPUSLQ-UHFFFAOYSA-N
-rxn:4:185511:222905,COC(=O)c1cc(-c2cccnc2NC(=O)OC(C)(C)C)c2c(c1)N(C(=O)OC(C)(C)C)CC2,FKVCLKSWEBEELO-UHFFFAOYSA-N
-rxn:4:185587:226005,O=C(C1CCCCC1)N(c1ccc2oc(=O)sc2c1)S(=O)(=O)c1ccc(-c2ccc(OCC(F)(F)F)c(F)c2)cc1,NSYPCUFNFYKDOL-UHFFFAOYSA-N
-rxn:4:185608:224485,CC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2ccc(CC(=O)N3C4CCC3CC(S(=O)(=O)c3ccccc3)C4)cc2)c1,DMPQGIYYJHIPFT-UHFFFAOYSA-N
-rxn:4:185708:223686,CC(C)(C)[Si](C)(C)Oc1ccc(-c2cc([N+](=O)[O-])ccc2OCCF)cc1OC(F)(F)F,DCIOEIRBDGREJK-UHFFFAOYSA-N
-rxn:4:185972:223482,CC(=O)OCc1cccc([N+](=O)[O-])c1-c1ccc(OC(F)(F)F)c(S(=O)(=O)N2CCC3(CC2)OCCO3)c1,BOXKKQYDKYQKNK-UHFFFAOYSA-N
-rxn:4:186325:223559,COC(=O)c1nc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)ccc1OC(C)C,SHSHSJFRFWIDKF-UHFFFAOYSA-N
-rxn:4:186420:223696,N#Cc1cc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc2)cc(-c2cccc(OC(F)(F)F)c2)c1,UVMIDMVZJZIJMS-UHFFFAOYSA-N
-rxn:4:186661:223777,COc1c(C(=O)ON2C(=O)CCC2=O)cccc1-c1ccc2c(c1F)CCN(C(=O)OC(C)(C)C)C2,KSXCQJPNLFNCMS-UHFFFAOYSA-N
-rxn:4:186799:222540,O=C(NCCN1CCCCC1)c1cccc(-c2ccc(OCC(=O)N3CCOCC3)c(F)c2)c1,CHEKGRNJTWWUJY-UHFFFAOYSA-N
-rxn:4:186815:224681,O=C(c1ccc(-c2ccc(C(=O)N3CCCCC3)c(F)c2)c(OC(F)(F)F)c1)N1CCOCC1,KBFSQFJHUSVUJZ-UHFFFAOYSA-N
-rxn:4:186893:224633,COc1ccc(CN2CCOCC2)cc1-c1ccc(S(=O)(=O)CC(=O)N2CCCC2)cc1,MHYIWMMPJZCKRJ-UHFFFAOYSA-N
-rxn:4:186921:226844,O=C(c1cc(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCOCC3)c2)ccn1)C(F)(F)F,GKQFQISOSKWTOR-UHFFFAOYSA-N
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-rxn:4:187164:223899,COc1cc(C(=O)N(C(C)C)C(C)C)ccc1-c1cncc(CO[Si](C)(C)C(C)(C)C)c1,MENZDZNVWODRFA-UHFFFAOYSA-N
-rxn:4:187176:222754,COc1ccc(C(=O)NC(C)(C)C)c(-c2ccc(OCC(=O)N3CCCCC3)c(C)c2)c1,GXSSPRIDRNVSRE-UHFFFAOYSA-N
-rxn:4:187179:224487,CC1CCN(C(=O)COc2cccc(-c3cccc(OCCN4CCCCC4)c3)c2)CC1,VIAGFBRODPETKN-UHFFFAOYSA-N
-rxn:4:187191:224582,CCCS(=O)(=O)N1CCCC1c1ccc(-c2cccc(N3CCN(C4CC4)CC3)c2)cc1,VGTYRINZWJPDCV-UHFFFAOYSA-N
-rxn:4:187200:224460,COC(=O)c1ccc(-c2cc(C3CC3)cc(N3CCCCC3)c2)c(CN2CCCCC2)c1,BYAJQZVNYLQION-UHFFFAOYSA-N
-rxn:4:187207:222922,CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(Cl)c(C2CN(C(=O)OC(C)(C)C)C2)c1,GBRAGXOPKKBXRM-UHFFFAOYSA-N
-rxn:4:187212:223930,Cc1cc2c(cnn2C(=O)OC(C)(C)C)cc1-c1ccc(C2CN(C(=O)OC(C)(C)C)C2)cc1F,XWCSTJCVTARNCZ-UHFFFAOYSA-N
-rxn:4:187221:222919,CC(C)(C)NS(=O)(=O)c1ccc(-c2cc(F)ccc2C2CN(C(=O)OC(C)(C)C)C2)cc1,QPYSGSFABYWUJY-UHFFFAOYSA-N
-rxn:4:187286:224320,Cc1ccc(-c2cc(S(=O)(=O)N3CCCCC3)ccc2C)c(C(=O)N(C(C)C)C(C)C)c1,MMHVFLJXRSRNSM-UHFFFAOYSA-N
-rxn:4:187287:222637,Cc1cccc(C(=O)N(C(C)C)C(C)C)c1-c1ccc(C(C)NC(=O)OC(C)(C)C)cc1,MJUBRWIXEYSFQX-UHFFFAOYSA-N
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-rxn:4:187324:222447,COc1ccc2c(c1-c1cc(C(=O)N3CCC(OC)CC3)cc(Cl)c1OC)N=C(NC(=O)OC(C)(C)C)C2,YEJZPWQBBXCABR-UHFFFAOYSA-N
-rxn:4:187357:222821,COc1cc(-c2ccc(F)c(S(=O)(=O)NC(C)(C)C)c2)cc(OC)c1CN1CCCCC1,XDRNELKTKLEJKD-UHFFFAOYSA-N
-rxn:4:187375:224645,COc1cc(C(=O)N2CCCC2)ccc1-c1cccc(S(=O)(=O)CC(=O)N2CCCC(C)C2)c1,FQVGQBGZLNTZTA-UHFFFAOYSA-N
-rxn:4:187377:224719,CC1CCN(C(=O)CS(=O)(=O)c2ccc(-c3cn(C(=O)OC(C)(C)C)nc3C(C)C)cc2)CC1,PRNDBNKBAVQLBO-UHFFFAOYSA-N
-rxn:4:187378:225334,CC1CCCN(C(=O)CS(=O)(=O)c2ccccc2-c2ccc(F)cc2COCC(F)(F)F)C1,GEAOQIDBQLIACE-UHFFFAOYSA-N
-rxn:4:187383:224268,CC(C)(C)OC(=O)N1CC(=O)CC1c1ccc(-c2ccc3c(cnn3C(=O)OC(C)(C)C)c2)cc1,ZFZPUKLAPBKXMB-UHFFFAOYSA-N
-rxn:4:187421:222637,Cc1ccc(C2CN(C(=O)OC(C)(C)C)C2)cc1-c1ccc(C(C)NC(=O)OC(C)(C)C)cc1,FWVUBUHLXKKBOG-UHFFFAOYSA-N
-rxn:4:187438:224420,Cc1cc(-c2cc3c(cc2C)C(C)(C)CCC3(C)C)cc(C2CN(C(=O)OC(C)(C)C)C2)c1,FVIOIQQQHNUSMK-UHFFFAOYSA-N
-rxn:4:187440:222936,CCC(=O)NS(=O)(=O)c1ccc(-c2coc(C3CCCN(C(=O)OC(C)(C)C)C3)c2)cc1,YCTFJFKHQZOWCD-UHFFFAOYSA-N
-rxn:4:187488:224965,CCOc1ccc(-c2cccc(OCC3CCOCC3)c2)cc1S(=O)(=O)N1CCC(C)CC1,JDRSLZHYLSPOOS-UHFFFAOYSA-N
-rxn:4:187494:225423,CN(C)CCCCc1ccc(-c2ccc(C3CN(C(=O)OC(C)(C)C)CCO3)cc2)cc1,YYGZCGCGHXJOFS-UHFFFAOYSA-N
-rxn:4:187502:224089,CC1CCN(CCOc2ccc(-c3cccc(OC(C)C)c3CN3CCC(F)(F)CC3)cc2)CC1,SSBBBVRMLLPUGW-UHFFFAOYSA-N
-rxn:4:187530:224373,COc1ccc(-c2ccc(C(=O)c3ccccc3CN3CCOCC3)c(F)c2)cc1S(=O)(=O)N1CCCC1,VBIONQUSORCERO-UHFFFAOYSA-N
-rxn:4:187544:223815,COc1cc(-c2ccc(Cl)c(CN3CCC4(CC3)OCCO4)c2)cc(OC)c1CN1CCCCC1C,VFSYPLAQGMNQLK-UHFFFAOYSA-N
-rxn:4:187547:223550,CCN(C(=O)c1ccc(-c2ccccc2COc2c(C(C)C)cccc2C(C)C)c(C)c1)C1CCCCC1,RXKNPZSHUUYMIZ-UHFFFAOYSA-N
-rxn:4:187548:224763,CCN(C(=O)c1cc(C)cc(-c2cc(Cl)ccc2C(=O)N2CCOCC2)c1)C1CCCCC1,LDNLXPCKQQFGIH-UHFFFAOYSA-N
-rxn:4:187557:223079,CC(C)NS(=O)(=O)c1cccc(-c2ccc([C@H]3CCCC(=O)N3C(=O)OC(C)(C)C)cc2)c1,RBQGFCPNDZYONR-JOCHJYFZSA-N
-rxn:4:187571:223774,COc1cccc2c1cc(-c1ccc(C3CCN(C(=O)OC(C)(C)C)CC3)cc1)n2C(=O)OC(C)(C)C,KXNRUESMHXHJGZ-UHFFFAOYSA-N
-rxn:4:187580:223181,CCNS(=O)(=O)c1cccc(-c2ccc(C3CCN(C(=O)OC(C)(C)C)CC3C)o2)c1,NGPZKLMTEYJBOV-UHFFFAOYSA-N
-rxn:4:187582:226007,CC(C)(C)OC(=O)N1CCC(c2cc(Cl)cc(-c3ccc(F)c(OCC(F)(F)F)c3)c2)CC1,FAFAEZQNQYWFHM-UHFFFAOYSA-N
-rxn:4:187618:222919,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccccc2-c2cccc(C(=O)N3CCCC(C(F)(F)F)C3)c2)cc1,XBXQTVXCBMGNKU-UHFFFAOYSA-N
-rxn:4:187639:222845,Cc1ccc(N(C(=O)c2ccccc2-c2ccc(C(C)N3CCNCC3)cc2)C2C=CS(=O)(=O)C2)cc1C,PYYJXARJZSVNSG-UHFFFAOYSA-N
-rxn:4:187657:222446,CCN(C1CCCCC1)S(=O)(=O)c1cc(C)c(C)cc1-c1cc(C(=O)NCc2ccc(OC)cc2)ccc1F,LXKSRUDLGOJYAN-UHFFFAOYSA-N
-rxn:4:187659:222904,CC(C)(C)OC(=O)Nc1ccc(-c2ccc(C3(C)CCN(C(=O)OC(C)(C)C)CC3)cc2)cn1,LNQNLUJPWHALPY-UHFFFAOYSA-N
-rxn:4:187664:225731,CCOC(=O)c1ccc(-c2ccc(C3CCN(C(=O)OC(C)(C)C)CC3)c(C)c2)c(OC)c1,BOTYWLBXVOSMIW-UHFFFAOYSA-N
-rxn:4:187669:223187,CONS(=O)(=O)c1cccc(-c2ccc(C3(C)CCCN(C(=O)OC(C)(C)C)C3)cc2)c1,OXHPFMZTJIATFI-UHFFFAOYSA-N
-rxn:4:187669:225568,COC(=O)C(C)(C)c1ccc(-c2ccc(C3(C)CCCN(C(=O)OC(C)(C)C)C3)cc2)cc1,IDJRYCABWZSZKC-UHFFFAOYSA-N
-rxn:4:187863:222897,CCCCNS(=O)(=O)c1cccc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)C3OC)c1,SZUIRXUFHDPNSC-UHFFFAOYSA-N
-rxn:4:187885:223542,COc1ccc(CN2Cc3cc(-c4ccc(OC(F)(F)F)c(S(=O)(=O)N5CCN(C)CC5)c4)cc(F)c3C2=O)c(OC)c1,HBTRYTGEAFBRIH-UHFFFAOYSA-N
-rxn:4:187957:224915,Cc1cc(N2CCCCC2C)ccc1-c1cccc(C=C2Oc3cc(OC(=O)N4CCOCC4)ccc3C2=O)c1,GZOAQHPKQYCKKW-UHFFFAOYSA-N
-rxn:4:188034:223883,CC(C)(C)OC(=O)N1CCCc2cc(-c3csc(C(=O)C(F)(F)C(F)(F)F)n3)ccc21,QFXNNKSFIARHNT-UHFFFAOYSA-N
-rxn:4:188647:223576,Cc1c(-c2cccc(OC3CCN(C(=O)OC(C)(C)C)CC3)c2)cc(OC(F)F)cc1[N+](=O)[O-],CIQPULWHRMTYFQ-UHFFFAOYSA-N
-rxn:4:189004:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cc(OC4CCC4)cc(F)c3C#N)c2Cl)CC1,NKMGCQFGLKYTGL-UHFFFAOYSA-N
-rxn:4:189164:222700,O=C(CN1C(=O)CSC1=O)c1ccc(-c2ccc(C(F)(F)F)cc2C2CCCNC2)cc1,HTWJVYUFGGQCMI-UHFFFAOYSA-N
-rxn:4:189282:223559,COC(=O)c1cnc(C(C)C)cc1-c1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)OC(C)(C)C,GWONJZPPKBGLJB-UHFFFAOYSA-N
-rxn:4:189291:222426,CON(C)C(=O)c1cc(C)ccc1-c1ccc2c(c1)C1(CCN(C(=O)OC(C)(C)C)CC1)C(=O)N2,JMHFICRFPQMEAH-UHFFFAOYSA-N
-rxn:4:189312:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3cnccc3C(=O)OC(C)(C)C)cc21,LYKUQMBVJJLQGO-UHFFFAOYSA-N
-rxn:4:189367:223497,COC(=O)c1cc(-n2cccc2)ccc1-c1ccc(C(C)N2CCC(O[Si](C)(C)C(C)(C)C)CC2)cc1,HGKCHVSQOAACHS-UHFFFAOYSA-N
-rxn:4:189378:223786,CN1CCN(CCCOc2ccc(-c3cc(C(F)(F)F)cc(S(=O)(=O)N(C)C)c3)cc2Cl)CC1,SLBZMJGOVYOOJC-UHFFFAOYSA-N
-rxn:4:189836:223832,COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1-c1ccoc1CN1CCC(C(F)(F)F)CC1,FCINYRSLBOMCAG-UHFFFAOYSA-N
-rxn:4:189865:224400,COc1c(Cl)cc(C(=O)N2CCC(F)(F)C2)cc1-c1ccc(N2CCOCC2)c(C(F)(F)F)c1,FQXRMLJGKCBDEC-UHFFFAOYSA-N
-rxn:4:189867:224760,O=S(=O)(c1ccc(-c2ccc(S(=O)(=O)N3CCCC3)cc2C(F)(F)F)cc1)N1CCCCC1,BQQFALGNFIBVLR-UHFFFAOYSA-N
-rxn:4:189889:223960,CCN1CCN(C(=O)c2cc(-c3ccc(S(=O)(=O)N4CCC(F)(F)C4)cc3C(F)(F)F)ccc2F)CC1,BUSMHEBSSPRDRH-UHFFFAOYSA-N
-rxn:4:189889:225751,COc1cc(C(=O)N(C)C)ccc1-c1ccc(S(=O)(=O)N2CCC(F)(F)C2)cc1C(F)(F)F,NGVWZXAYJXVWSH-UHFFFAOYSA-N
-rxn:4:189898:223813,COc1cc(-c2ccc(CN3CCC4(CC3)OCCO4)c(F)c2)ccc1CN1CCCC1,WVNMUBQZPVYVRO-UHFFFAOYSA-N
-rxn:4:189918:223969,CC1CCN(c2ccc(C(F)(F)F)cc2-c2ccc([N+](=O)[O-])c(OC3CCCCC3)c2)CC1,NJOPXLNLHUMSAK-UHFFFAOYSA-N
-rxn:4:189938:223946,CCN(C(=O)OC(C)(C)C)c1ccc(-c2cccc(S(=O)(=O)N3CCC(OC)C3)c2)c(Cl)c1,OFJSDRORVKMNLI-UHFFFAOYSA-N
-rxn:4:189954:224411,CN(C)S(=O)(=O)c1ccc(-c2ccc(C(F)(F)F)cc2CN2CCOCC2)c(C(F)(F)F)c1,YKMZFLPZOFWCFA-UHFFFAOYSA-N
-rxn:4:190010:223640,C#CC1CCN(S(=O)(=O)c2cccc(-c3cc(F)cc4c3C(=O)C3C(C)(C)C3(OCC)C4=O)c2)CC1,ORDRSRMAWWITMF-UHFFFAOYSA-N
-rxn:4:190116:224391,CCc1cc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2C)ccc1S(=O)(=O)N1CCCC1,PMLTZDPVDMKSEA-UHFFFAOYSA-N
-rxn:4:190118:222545,CC(C)(C)OC(=O)NC(C)(C)c1ccc(-c2cccc(C3(C(=O)N4CCCC4)CC3)c2)cc1,KWXIEFYKVYYIGY-UHFFFAOYSA-N
-rxn:4:190120:222514,COc1ccc(-c2cc(S(C)(=O)=O)ccc2CN2CCCC2)cc1S(=O)(=O)NC1CCCCC1,ADVOGOZHXHCUDN-UHFFFAOYSA-N
-rxn:4:190129:222635,C[C@H](NC(=O)OC(C)(C)C)c1cccc(-c2ccc(Cl)c(CCN3CCC(F)(F)CC3)c2)c1,RKVBLJBPXSUXGP-SFHVURJKSA-N
-rxn:4:190157:224734,FC1CCN(Cc2cc(-c3ccc(C(F)(F)F)cc3OCC3CC3)cc(C(F)(F)F)c2)CC1,BRSGECZPFVSLIO-UHFFFAOYSA-N
-rxn:4:190163:224278,CC(C)(C)OC(=O)n1ccc2cc(-c3ccc(S(=O)(=O)N4CCCC(C(F)(F)F)C4)cc3)cnc21,WEPAFXJQHKXYRB-UHFFFAOYSA-N
-rxn:4:190171:226034,COc1c(Cl)cc(-c2ccc([N+](=O)[O-])cc2CC2C(=O)OC(C)(C)OC2=O)cc1C(F)(F)F,DCNZDILBEABYIS-UHFFFAOYSA-N
-rxn:4:190173:226762,CSc1cc(-c2cc(S(=O)(=O)N3CCC(C(F)(F)F)CC3)c(F)cc2F)cc(C(F)(F)F)c1,PSNMJXIUEXVWJL-UHFFFAOYSA-N
-rxn:4:190174:223576,CC(C)(C)OC(=O)N1CCC(Oc2cccc(-c3cc(S(=O)(=O)N4CCCC(C(F)(F)F)C4)c(F)cc3F)c2)CC1,JMQMSDYFRLSDPC-UHFFFAOYSA-N
-rxn:4:190189:223712,COc1ccc(-c2cnc(OCC3CCCCC3)cc2C)cc1C12CC3CC(CC(C3)C1)C2,FDBKEHFXPWRIQU-UHFFFAOYSA-N
-rxn:4:190240:223504,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc(C(=O)N4CCOC(c5ccccc5)C4)o3)cc2[N+](=O)[O-])CC1,JOGIBCHNEFYXFY-UHFFFAOYSA-N
-rxn:4:190356:225198,O=C(c1ccc(C(F)(F)F)c(-c2c(F)cccc2OC2CCCCO2)c1)N1CCC2(CC1)CC2,DAOSTNLFIPOVAQ-UHFFFAOYSA-N
-rxn:4:190388:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1ccc(C2CCN(S(=O)(=O)C3CC3)CC2)cc1,UDJFTINSMDAZKE-UHFFFAOYSA-N
-rxn:4:190397:225054,CC1CCCCN1c1ccc(-c2ccc(C(=O)CN3C(=O)CC4(CCCC4)C3=O)cc2)c(Cl)c1,YPRXZRVCLDCREJ-UHFFFAOYSA-N
-rxn:4:190408:224402,CCN(CC)S(=O)(=O)c1cc(F)c(F)cc1-c1cc(C(C)(C)C)cc(C(C)(C)C)c1[N+](=O)[O-],YKTYCOLEGKOTSO-UHFFFAOYSA-N
-rxn:4:190410:222648,Cc1cc(C)c(-c2ccc(C3CCN(C(=O)C(C)C)CC3)cc2)cc1NC(=O)OC(C)(C)C,DUZQXXIVMQZVTD-UHFFFAOYSA-N
-rxn:4:190411:224244,Cc1cc(CC(=O)N2CCC(C)CC2)ccc1-c1ccc(Cl)c(C(=O)N2CCC(C)CC2)c1,CXJUARZLUINEEE-UHFFFAOYSA-N
-rxn:4:190427:224129,CN(C(=O)c1cccc(-c2ccc(C3CCN(C(=O)C4CCC4)CC3)cc2)c1)C1CCCCC1,SFFHBFVLEOJMBW-UHFFFAOYSA-N
-rxn:4:190468:225371,COC(=O)c1cc(-c2ccc(S(=O)(=O)N3CCSC(c4cc(F)ccc4F)CC3)cc2)cnc1C(F)(F)F,MVOHXXXEOBJELO-UHFFFAOYSA-N
-rxn:4:190474:222630,Cc1cc(C)c(S(=O)(=O)N(C)C2CCCCC2)cc1-c1cc(C2CCC2)nc(C2CCNCC2)c1,DVUCZVLTDKLVAY-UHFFFAOYSA-N
-rxn:4:190474:224420,Cc1cc2c(cc1-c1cc(S(=O)(=O)N(C)C3CCCCC3)c(C)cc1C)C(C)(C)CCC2(C)C,MCUCHDNDEARVAL-UHFFFAOYSA-N
-rxn:4:190643:223559,COC(=O)Cc1ccc2ncc(-c3ccc4c(c3)C(C)=CC(C)(C)N4C(=O)OC(C)(C)C)cc2c1F,DUOVNXIVDVWTTM-UHFFFAOYSA-N
-rxn:4:190817:224082,CCC(C(=O)OC(C)(C)C)c1cccc(-c2ccc3c(c2)C(C)(C)C(=O)N3CC(=O)OC)c1,YFEVHFNXZRNDDH-UHFFFAOYSA-N
-rxn:4:190834:224126,CCN1CCN(C(C)c2cccc(-c3cc(F)c4c(c3)CN(C(=O)OC(C)(C)C)C4=O)c2)CC1,VNUGGVZPEPUQJL-UHFFFAOYSA-N
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-rxn:4:207877:223562,CC(C)(C)OC(=O)N1CCC(Cc2ccc(-c3cccc4[nH]c5c(c34)CN(S(=O)(=O)c3ccccc3)CC5)cc2)CC1,WPOCIGJZOZNKGI-UHFFFAOYSA-N
-rxn:4:207890:224588,Cc1c(-c2cc(F)cc(CN3CCC(C)CC3)c2)cnn1CC12CC3CC(CC(C3)C1)C2,QQQMATYYPJKHNQ-UHFFFAOYSA-N
-rxn:4:207959:226425,Cc1ccc(C2=NN3C(C2)c2cc(-c4ccc(N5CCCCC5C)s4)ccc2OC3C2CCCCC2)cc1,ZENFTXCTEYJQQK-UHFFFAOYSA-N
-rxn:4:207959:227613,Cc1ccc(C2=NN3C(C2)c2cc(-c4cnn(C5CCOCC5)c4)ccc2OC3C2CCCCC2)cc1,YJCCBNCHWBHZKW-UHFFFAOYSA-N
-rxn:4:208567:223533,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cnc(C4CC4(F)F)nc3)c(F)c2)CC1,AUAUIVWKGRHLML-UHFFFAOYSA-N
-rxn:4:209426:223504,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccnc(N4CCCC4)c3)cc2[N+](=O)[O-])CC1,VCWAWROVLDJGOB-UHFFFAOYSA-N
-rxn:4:209557:223598,Cc1cc(N2CC(F)(F)C2)ncc1-c1ccc(OCCN2CCC3(CC2)OCCO3)c(F)c1,OHCWXFFTDAUJBW-UHFFFAOYSA-N
-rxn:4:209604:223499,CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(-c3ncccc3N3CCOCC3)ccc2Cl)CC1,NBLAYZFTJBYMMR-UHFFFAOYSA-N
-rxn:4:211068:224484,CC(C)N(C(=O)c1ccccc1-c1ccc2c(c1)N1CCCC1=C(C#N)S2(=O)=O)C(C)C,MOGAUKFHAGOCDL-UHFFFAOYSA-N
-rxn:4:211097:223929,CC(C)(C)OC(=O)N1CCc2cc(-c3ccc4c(c3)C3CC(c5ccc(Cl)cc5)=NN3C3(CCCC3)O4)cnc2C1,IHINNIJCNFILBM-UHFFFAOYSA-N
-rxn:4:211101:225437,Cc1ccc(C2=NN3C(C2)c2cc(-c4cccc(CN5CCCCC5)c4)ccc2OC32CCC(C)CC2)cc1,FDRCMQHXQVFZEI-UHFFFAOYSA-N
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-rxn:4:212591:223953,COCCN1CCN(c2cc(F)cc(-c3cnc(OC4CCN(C(=O)c5ccc(C(=O)OC)cc5)C4)nc3)c2)CC1,ULVZGHOTARNVES-UHFFFAOYSA-N
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-rxn:4:212639:224133,Cc1ccc(OCc2ccc(F)cc2)c(-c2cncc(CC(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)c1,MPJUORPEENWERH-UHFFFAOYSA-N
-rxn:4:212639:225977,CC(C)(C)OC(=O)N1CCN(C(=O)Cc2cncc(-c3cc(Cl)cnc3N3CCOCC3)c2)CC1,IDFXFWDPGCVXCW-UHFFFAOYSA-N
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-rxn:4:212648:227259,COc1ccc(CSC)cc1-c1cn(C)nc1OCC1CCN(C(=O)OC(C)(C)C)CC1,DQAIETINHTVGTH-UHFFFAOYSA-N
-rxn:4:212673:222522,COc1ccc(-c2cnc(OC3CCN(C(=O)c4ccccc4Oc4ccccc4)C3)nc2)cc1S(=O)(=O)N1CCC(O)CC1,UQJDYVFSIBLMLH-UHFFFAOYSA-N
-rxn:4:212679:222462,Cc1cnc(OC2CCN(C(=O)CCc3ccccc3-c3c(F)cc4nc(NC(=O)OC(C)(C)C)sc4c3F)CC2)nc1,VNWHHSSLUGKLDO-UHFFFAOYSA-N
-rxn:4:212694:227227,COCCN1C(=O)CN(C2CCN(C(=O)c3ccccc3-c3ccc(OCC4CC4)nc3)CC2)C1=O,RTAVCMMYHTUXME-UHFFFAOYSA-N
-rxn:4:212707:223996,COc1ccc(C2=NN(C(=O)c3ccccc3-c3ccc(N4CCN(C)CC4)cc3C(F)(F)F)C(c3cccc([N+](=O)[O-])c3)C2)cc1,KIPZRLNKASLLOM-UHFFFAOYSA-N
-rxn:4:212729:225313,COc1ccc(-c2noc(C3CCCN(S(=O)(=O)c4ccc(-c5ccc(N6CCN(C)CC6)nc5F)cc4)C3)n2)cc1OC,HSKPIKSXBKTXEH-UHFFFAOYSA-N
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-rxn:4:212736:226820,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cnc(-c4cscn4)cc3F)cc2N2CCCC2)CC1,FPEFYSHKLGWUAE-UHFFFAOYSA-N
-rxn:4:212737:226819,CC(C)(C)OC(=O)N1CCN(c2cc(CN3CCOCC3)cc(-c3ccc(-c4ccnc(Cl)n4)s3)c2)CC1,RJBUAVCRNAMPOJ-UHFFFAOYSA-N
-rxn:4:212737:226820,CC(C)(C)OC(=O)N1CCN(c2cc(CN3CCOCC3)cc(-c3cnc(-c4cscn4)cc3F)c2)CC1,VYCZBKUAFMCBOO-UHFFFAOYSA-N
-rxn:4:212737:226821,CC(C)(C)OC(=O)N1CCN(c2cc(CN3CCOCC3)cc(-c3ccc(-c4cscn4)nc3F)c2)CC1,WCWGZAGGAXFYJJ-UHFFFAOYSA-N
-rxn:4:212738:225219,CC1CCCCN1c1cc(F)c(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)c(N3CCOCC3)c2)cn1,ZSJMBIAEGFZQJC-UHFFFAOYSA-N
-rxn:4:212738:226819,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc(-c4ccnc(Cl)n4)s3)cc2N2CCOCC2)CC1,MDTLRQIMNUCMQN-UHFFFAOYSA-N
-rxn:4:212738:226820,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cnc(-c4cscn4)cc3F)cc2N2CCOCC2)CC1,KGZYEUXFARVLSC-UHFFFAOYSA-N
-rxn:4:212738:226821,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc(-c4cscn4)nc3F)cc2N2CCOCC2)CC1,ROWAUDGBARSQRA-UHFFFAOYSA-N
-rxn:4:212738:227736,Cc1ncc(C(F)(F)F)cc1-c1ccc(CN2CCN(C(=O)OC(C)(C)C)CC2)c(N2CCOCC2)c1,UXERUBRNCDXBCB-UHFFFAOYSA-N
-rxn:4:212739:228452,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cc4c(Cl)ncnc4s3)cc2N2CCCCC2)CC1,KCYXJTZGSPQTFC-UHFFFAOYSA-N
-rxn:4:212740:226819,CC(C)(C)OC(=O)N1CCN(c2cc(CN3CCCCC3)cc(-c3ccc(-c4ccnc(Cl)n4)s3)c2)CC1,QHWNYISXDUNJLY-UHFFFAOYSA-N
-rxn:4:212743:223170,CC(C)(C)OC(=O)N1CCC(CN2CCN(c3ccc(-c4cnc(C5CCCNC5)nc4)cc3)CC2)CC1,OSMCMUXRAWNEGA-UHFFFAOYSA-N
-rxn:4:212743:226819,CC(C)(C)OC(=O)N1CCC(CN2CCN(c3ccc(-c4ccc(-c5ccnc(Cl)n5)s4)cc3)CC2)CC1,FLZZHJHNUMNEBZ-UHFFFAOYSA-N
-rxn:4:212744:222813,CC(C)(C)OC(=O)Nc1ncc(-c2cc(CN3CCC(F)(F)CC3)cc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1Cl,BNMUJXGNIVDSQC-UHFFFAOYSA-N
-rxn:4:212746:223886,CC1CN(Cc2ccc(-c3cccc4c3CCN(C(=O)OC(C)(C)C)C4)cc2N2CCOCC2)CCN1C(=O)OC(C)(C)C,NHUNQFNXMWUTMT-UHFFFAOYSA-N
-rxn:4:212749:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(CN2CCN(C(=O)OC(C)(C)C)C(C)C2)c(N2CCCCC2)c1,XDOWKINJUDAYRI-UHFFFAOYSA-N
-rxn:4:212787:223498,COCCn1c(=NC(=O)c2ccccc2-c2ccc(C(=O)N3CCCN(C(=O)OC(C)(C)C)CC3)cc2)sc2cc(S(N)(=O)=O)ccc21,XIEFMZUDPNFMNI-UHFFFAOYSA-N
-rxn:4:212791:224184,CCOC(=O)c1nn2c(c1-c1ccc(OCCn3ccc(=O)cc3)cc1)CN(C(=O)OC(C)(C)C)CCC2,PCENZTKGMFCNOB-UHFFFAOYSA-N
-rxn:4:212814:227913,CC(C)Oc1ccc(-c2c3c(nn2C(=O)OC(C)(C)C)C(C)(C)N(C(=O)OC(C)(C)C)C3)cc1,NLCURONPUOPACG-UHFFFAOYSA-N
-rxn:4:212816:225869,O=C(CCc1c[nH]c2ccccc12)N1CCN(S(=O)(=O)c2ccc(-c3ccc(N4CCOCC4)c(Cl)c3)cc2)CC1,GAYOGZWFIYKHGB-UHFFFAOYSA-N
-rxn:4:212829:222755,CN(C(=O)c1cc2cc(-c3ccc(C(=O)NCc4cccs4)cc3)ccc2[nH]1)C1CCN(C(=O)OC(C)(C)C)CC1,PXMNXZJYMAMPNS-UHFFFAOYSA-N
-rxn:4:212906:224325,CC(C)(C)OC(=O)N1CC(Oc2cncc(-c3ccc(C4=CCN(S(C)(=O)=O)CC4)cc3)n2)C1,PZSVSFZHTULYDC-UHFFFAOYSA-N
-rxn:4:212969:225516,CN(C)CCCOc1ccc(-c2cnc(OC3CCN(C(=O)CC4CC4)CC3)nc2)cc1,YXVOJSJTWCDYCO-UHFFFAOYSA-N
-rxn:4:212974:222439,O=C(Cc1cccnc1)N1CCC(Oc2ccc(-c3ccc(S(=O)(=O)NC4CCCCC4)cc3C(F)(F)F)cn2)C1,MDMOBYHTQKNTJG-UHFFFAOYSA-N
-rxn:4:212992:223074,O=S(=O)(Nc1cccc(-c2cnc(OCC3CCCN(S(=O)(=O)C4CC4)C3)nc2)c1)C1CC1,YIFWHRCYNXDYMZ-UHFFFAOYSA-N
-rxn:4:213001:224711,CCCCOc1ccc(C(F)(F)F)cc1-c1ccccc1CCC(=O)N1CCN(c2nccs2)C(=O)C1,BHMIKVXEDBXYID-UHFFFAOYSA-N
-rxn:4:213005:222546,COc1cnc(OC2CCN(C(=O)c3ccc(-c4ccc(OCCNC5CCCCC5)c(F)c4)o3)CC2)nc1,KTWIABCFADTSKR-UHFFFAOYSA-N
-rxn:4:213053:222546,O=C(C1CC(F)(F)C1)N1CCCC(COc2ncc(-c3ccc(OCCNC4CCCCC4)c(F)c3)cn2)C1,LQKZITUDOZZXFX-UHFFFAOYSA-N
-rxn:4:213099:228820,Cc1ccc(F)c(-c2cnn(C3CCN(C(=O)OC(C)(C)C)CC3)c2C(F)(F)F)c1Cl,AFFQBEAJFHSJEG-UHFFFAOYSA-N
-rxn:4:213100:223884,CC(C)(C)OC(=O)N1CCC(n2cc(-c3ccc4c(c3)CCN(C(=O)OC(C)(C)C)C4)c(C(F)(F)F)n2)CC1,AFQPQYRMFZVCOR-UHFFFAOYSA-N
-rxn:4:213100:224638,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cc(F)cnc3OCc3ccccc3)c(C(F)(F)F)n2)CC1,MRDBJLUJROAPCO-UHFFFAOYSA-N
-rxn:4:213101:223696,O=C(c1ccc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc2)cc1)N1CC(Cn2nc(C3CC3)ccc2=O)C1,RSGKYNAXEFHTIS-UHFFFAOYSA-N
-rxn:4:213112:224182,Cc1ccc(OCC2CCN(S(=O)(=O)c3ccccc3-c3ccc(OCCN4CCOCC4)c(C)c3)C2)nn1,RXUWZPGLVVHDCE-UHFFFAOYSA-N
-rxn:4:213113:225157,O=C(c1cccc(-c2cnc(OC3CCCN(S(=O)(=O)Cc4ccc(Cl)cc4)C3)nc2)c1)N1CCSCC1,OHALFOZWWVRREM-UHFFFAOYSA-N
-rxn:4:213123:222999,O=C(Cc1ccccc1-c1cc(Cl)cc(C2CCCNC2)c1)N1CCN(c2ccnc(C(F)(F)F)c2)C(=O)C1,GPCLPRAJIPGVAZ-UHFFFAOYSA-N
-rxn:4:213123:223556,CC(C)(C)OC(=O)n1c2ccccc2c2cc(-c3ccccc3CC(=O)N3CCN(c4ccnc(C(F)(F)F)c4)C(=O)C3)ccc21,LPWFYQVRJUWXAK-UHFFFAOYSA-N
-rxn:4:213123:225218,CC1CCCN(c2ncc(-c3ccccc3CC(=O)N3CCN(c4ccnc(C(F)(F)F)c4)C(=O)C3)cc2Cl)C1,SYANVRNFTWPMGZ-UHFFFAOYSA-N
-rxn:4:213123:225584,O=C(Cc1ccccc1-c1ccc(C(=O)N2CCCC2)cc1)N1CCN(c2ccnc(C(F)(F)F)c2)C(=O)C1,HXDMSNIKMFHNHO-UHFFFAOYSA-N
-rxn:4:213125:224485,CC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2cccc(CN3CCN(C(=O)OC(C)(C)C)CC3)n2)c1,CKHDAXIRPKSOEQ-UHFFFAOYSA-N
-rxn:4:213126:224378,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cnc(N4CCCCC4)c(C(F)(F)F)c3)nc2)CC1,BPIRYXVQJZSAFY-UHFFFAOYSA-N
-rxn:4:213130:225976,CC(C)(C)OC(=O)N1CCN(Cc2cncc(-c3ccnc(N4CCOCC4)c3F)c2)CC1,RSGHEFVPYPQXSI-UHFFFAOYSA-N
-rxn:4:213131:225276,CCCOc1cc(-c2cnc(OCC3CCN(C(=O)C(C)(C)C)CC3)nc2)ccc1C(F)(F)F,ATRIOMNUYNBMSO-UHFFFAOYSA-N
-rxn:4:213131:226981,CCCCCCc1ccsc1-c1cnc(OCC2CCN(C(=O)C(C)(C)C)CC2)nc1,BHLXYSUDVBWTGQ-UHFFFAOYSA-N
-rxn:4:213135:223787,CN1CCN(CCCOc2ccc(-c3cnc(OC4CCN(C(=O)CC(C)(C)C)CC4)nc3)cc2F)CC1,RHCMCSBLCQWWBO-UHFFFAOYSA-N
-rxn:4:213138:225898,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3cnn(CCN4CCOCC4)c3)cnc2F)CC1,GMQVXVPANOELSM-UHFFFAOYSA-N
-rxn:4:213147:223043,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cncc(-c3ccc(C(=O)NC4CC4)c(Cl)c3)c2)CC1,AKHNLGDMHQMSNT-UHFFFAOYSA-N
-rxn:4:213162:224462,COc1ccc(S(=O)(=O)N2CCC(Oc3ncc(-c4ccc(C5CCN(C6CC6)CC5)cc4)cn3)CC2)cc1F,BBQZOOKQINFAIK-UHFFFAOYSA-N
-rxn:4:213162:225664,COc1ccc(S(=O)(=O)N2CCC(Oc3ncc(-c4ccc(N5CCCCC5)cc4Cl)cn3)CC2)cc1F,CDDNAQNOGKCISM-UHFFFAOYSA-N
-rxn:4:213163:224017,O=C(C1CCCC1)N1CCC(COc2ncc(-c3ccc(N4CCCS4(=O)=O)cc3C(F)(F)F)cn2)CC1,RBCCEWWRSQZJNG-UHFFFAOYSA-N
-rxn:4:213226:225009,Cc1cnc(OC2CCCCC2)c(-c2cccc(-c3cnc([C@@H]4CCCN4C(=O)OC(C)(C)C)[nH]3)c2)c1,QCJKTMIWVGUBRQ-SANMLTNESA-N
-rxn:4:213262:222972,CN(C)c1ccc(C(=S)N2CCN(C(=S)c3ccc(-c4ccccc4NC(=O)C(C)(C)C)cc3)CC2)cc1,OSXBGJALLXKRBX-UHFFFAOYSA-N
-rxn:4:213272:223777,CC(C)(C)OC(=O)N1CCc2c(ccc(-c3ccc(OC4CCN(C(=O)c5ccc(N6CCOCC6)cc5)C4)nc3)c2F)C1,WPOWDWVDIVNATB-UHFFFAOYSA-N
-rxn:4:213292:223223,CCNC(=O)c1cccc(-c2ccc(N3C(=O)CC(N4CCN(CC=Cc5ccccc5)CC4)C3=O)cc2)c1,LTABRWGWYFSVNS-UHFFFAOYSA-N
-rxn:4:213336:222868,COC(=O)c1nc(-c2ccccc2NC(=O)OC(C)(C)C)n2c1CCN(C(=O)OC(C)(C)C)CC2,GQAVAIJNQOBECX-UHFFFAOYSA-N
-rxn:4:213336:224158,COC(=O)c1nc(-c2ccc3c(ccn3C(=O)OC(C)(C)C)c2)n2c1CCN(C(=O)OC(C)(C)C)CC2,ZOZAZXPIUCWVDW-UHFFFAOYSA-N
-rxn:4:213336:224374,COC(=O)c1nc(-c2cc(S(=O)(=O)N3CCCC3)ccc2OC)n2c1CCN(C(=O)OC(C)(C)C)CC2,FEERKTUPDMHWKV-UHFFFAOYSA-N
-rxn:4:213340:223504,COc1ccc(-c2cc3c(SCc4cccc(-c5ccc(N6CCN(C(=O)OC(C)(C)C)CC6)c([N+](=O)[O-])c5)c4)nccn3n2)cc1,WMUWERJJRCRBQB-UHFFFAOYSA-N
-rxn:4:213353:222674,O=C(NC1CCCCC1)c1cccc(-c2cnccc2OC2CCN(C(=O)CN3C(=O)c4ccccc4C3=O)C2)c1F,SRFJGQMJRRFTRW-UHFFFAOYSA-N
-rxn:4:213355:224269,CC(C)CS(=O)(=O)C1CN(C(=O)c2c3ccc(-c4cn(C(=O)OC(C)(C)C)c5cnccc45)cc3nn2C)C1,SWQPCBXOMMMZLX-UHFFFAOYSA-N
-rxn:4:213387:223880,Cc1ccc2c(c1)cc(-c1ccc3c(c1)ncn3CC1CCN(C(=O)OC(C)(C)C)CC1)n2C(=O)OC(C)(C)C,VLOBWZFFLJGZAV-UHFFFAOYSA-N
-rxn:4:213428:222948,CC(C)(C)OC(=O)N1CCC[C@H]1c1ncc(-c2ccc3cc(-c4cnc(N5CCC(O)CC5)nc4Cl)ccc3c2)[nH]1,ARLRODFDIUDZES-SANMLTNESA-N
-rxn:4:213451:224567,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5ccc(Oc6ccc(OC)cc6)cc5)cc43)C(=O)N2c2ccc(CC)cc2)cc1,OHQWWRMFVHKRHQ-UHFFFAOYSA-N
-rxn:4:213471:226874,O=C1C2C3C=CC(C3)C2C(=O)N1CCN1CCN(S(=O)(=O)c2ccc(-c3c(Cl)cccc3OC(F)(F)F)cc2)CC1,BRPYXJNFXWQJHF-UHFFFAOYSA-N
-rxn:4:213474:222778,CC(C)(C)OC(=O)NCc1cncc(-c2ccc3c(c2)C(F)(F)c2cc(-c4cnc([C@@H]5CC6(CC6)CN5C(=O)OC(C)(C)C)[nH]4)ccc2-3)c1,YZEYPGNTWIANHX-HKBQPEDESA-N
-rxn:4:213480:225891,COc1cc(-c2cncc(C(=O)OC[C@H]3CN(C)[C@@H]4Cc5c[nH]c6cccc(c56)[C@@]4(OC)C3)c2)cnc1C(OC)OC,URLXMVUOENHZLD-WIIUZPATSA-N
-rxn:4:213686:224484,CC(C)N(C(=O)c1ccccc1-c1cnn(CC2CN(C(=O)C(C)(C)C)C2)c1)C(C)C,VWNMQECPIHHCOI-UHFFFAOYSA-N
-rxn:4:213760:225357,CCOc1cc(-c2cnn(CC3CN(C(=O)C4CCOCC4)C3)c2)c(F)c(C(F)(F)F)c1,MQROCYIHZUXHCP-UHFFFAOYSA-N
-rxn:4:213764:224256,CC1CCCCN1C(=O)c1cc(-c2cnc(C3CCN(C(=O)OC(C)(C)C)C3)cn2)ccc1Cl,KAEZSMJOKPWLKL-UHFFFAOYSA-N
-rxn:4:213792:223828,CCN1CCN(c2cc(-c3ccc(S(=O)(=O)c4nnn(-c5cccc(C(F)(F)F)c5)c4C)cc3)cc(C(F)(F)F)c2)CC1,RFIYGYGYTGHXNY-UHFFFAOYSA-N
-rxn:4:213795:222879,CC(C)(C)C(=O)Nc1cccc(Cl)c1-c1cnn(CC2CN(CC3CCCOC3)C2)c1,WWHZBKUWPQOPKZ-UHFFFAOYSA-N
-rxn:4:213800:225943,CC(C)(C)OC(=O)N1CCOCC1c1cc(-c2ccc(C(=O)N3CCOCC3)s2)ncn1,UIIBAARCTBCSSA-UHFFFAOYSA-N
-rxn:4:213815:223822,Cc1nccc(OC2CCN(C(=O)c3cccc(-c4cc(C(F)(F)F)ccc4C(=O)OCC(C)(C)C)c3)C2)n1,NBYQJCCGFPRTOX-UHFFFAOYSA-N
-rxn:4:213844:223894,CN1CCN(CCCOc2cccc(-c3cccc(N4CCN(C(=O)OC(C)(C)C)CC4=O)n3)c2)CC1,FSTZQTMJHPTSDI-UHFFFAOYSA-N
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-rxn:4:213882:224376,CN1CCN(S(=O)(=O)c2cccc(-c3cnn(CC4CN(CC5CCS(=O)(=O)CC5)C4)c3)c2)CC1,QDOIFSPOQYIGGC-UHFFFAOYSA-N
-rxn:4:213884:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1nccc(C2CCN(C(=O)OC(C)(C)C)CC2)n1,FEXOPXQPQCDZHF-UHFFFAOYSA-N
-rxn:4:213893:224078,CC(C)(C)OC(=O)N1CCN(c2cncc(-c3cccc4c3ccn4[Si](C)(C)C(C)(C)C)c2)CC1,JSSHMVLNXZWXPN-UHFFFAOYSA-N
-rxn:4:213893:225984,CC(C)(C)OC(=O)N1CCN(c2cncc(-c3cnc(Cl)c(N4CCOCC4)c3)c2)CC1,KAEIFWPYFCODPK-UHFFFAOYSA-N
-rxn:4:213901:223893,CCN1CCN(CCOc2cccc(-c3ccc(Cl)nc3N3CCN(C(=O)OC(C)(C)C)CC3)c2)CC1,NCGWUYVKKNNPQY-UHFFFAOYSA-N
-rxn:4:213921:222624,CC(C)Cc1cc(-c2cccc(N3CCN(Cc4ccccc4)CC3)c2[N+](=O)[O-])cc(C2CCNCC2)n1,FDYJCTXSFPDPFG-UHFFFAOYSA-N
-rxn:4:213925:222543,CC(C)(C)OC(=O)NC1(c2ccc(-c3ccc(-c4ccc(=O)n(CC(=O)N5CCCCC5)n4)cc3)cc2)CC1,IPKMKZSYFWZISI-UHFFFAOYSA-N
-rxn:4:213948:226686,Cc1cnn(C2CCCCO2)c1-c1cnc(OC2CCN(CC3CCCC3)CC2)nc1,PUHGEPDQQHFDAO-UHFFFAOYSA-N
-rxn:4:213954:222845,CC(c1ccc(-c2cnccc2OC2CCN(C3CCN(C4CC4)C3=O)C2)cc1)N1CCNCC1,WLCPMYZCOKNGDM-UHFFFAOYSA-N
-rxn:4:213982:224399,CC1CN(C(=O)OC(C)(C)C)CCC1c1cc(-c2ccc(N3CCOCC3)cc2C(F)(F)F)ncn1,ZNZKZEJHWCKWAW-UHFFFAOYSA-N
-rxn:4:213985:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3cc(C)cnc3N3CCN(C(=O)OC(C)(C)C)CC3)cc21,JLJHCHINIWUVHL-UHFFFAOYSA-N
-rxn:4:213996:225196,CC1CN(C(=O)OC(C)(C)C)CCN1c1ccncc1-c1cc(Cl)c(F)c(OC2CCCC2)c1,NYFIXUWDRFCFRO-UHFFFAOYSA-N
-rxn:4:214012:222854,COc1ccc(C2CCCNC2)cc1-c1ccccc1S(=O)(=O)N1CCC(S(=O)(=O)c2nccn2C)CC1,SLVAOPFHOQQZKP-UHFFFAOYSA-N
-rxn:4:214033:228631,CC(C)[C@H]1COC(c2cc(-c3ccsc3C3CCC3)cc(C3=N[C@@H](C(C)C)CO3)n2)=N1,FVKMKCLYGGIUOC-FGZHOGPDSA-N
-rxn:4:214034:224077,CC(C)(C)[Si](C)(C)n1cc(-c2cccc(C(=O)N3CCN(C(=O)N4CCCCC4)CC3)c2)c2ccccc21,TYCDKULJHJYNGE-UHFFFAOYSA-N
-rxn:4:214047:225170,Cc1cc(N2CCN(C(=O)OC(C)(C)C)C(C)C2)ncc1-c1cc(F)ccc1CN1CCOCC1,LZUSIDAVCUOBQJ-UHFFFAOYSA-N
-rxn:4:214052:224725,CCN(CC)S(=O)(=O)c1cc(-c2cccc(C(=O)N3CCC(N(C)c4ccccn4)CC3)c2C)ccc1C,CYRUNWSRGQYPJA-UHFFFAOYSA-N
-rxn:4:214059:228477,CC(C)(C)OC(=O)N1CC2(CCN(c3ccc(-c4cnccc4C(F)(F)F)cn3)CC2)C1,XJAQGLBGVCKLDC-UHFFFAOYSA-N
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-rxn:4:214074:223142,Cc1nn(S(=O)(=O)c2ccc(-c3ccc(C4CCCNC4)nc3)cc2)c(C)c1S(=O)(=O)N1CCCC(C)C1,VAQROHPMRASOQV-UHFFFAOYSA-N
-rxn:4:214090:223528,CCOC(=O)c1cn2cc([N+](=O)[O-])cc(-c3ccc(F)c(CN4CCN(C(=O)OC(C)(C)C)CC4)c3)c2n1,OISBFQZEQLXIFX-UHFFFAOYSA-N
-rxn:4:214180:222389,CC(C)(C)OC(=O)N1CC(c2cc3ccc(-c4cc(C5CCNCC5)nc(C5CCNCC5)c4)cn3n2)C1,DINZLZQNXSIKQU-UHFFFAOYSA-N
-rxn:4:214181:222540,CCCC(=O)N1CCN(c2nc3ccc(-c4cccc(C(=O)NCCN5CCCCC5)c4)cc3s2)CC1,CQIUQKGAOSBSBU-UHFFFAOYSA-N
-rxn:4:214183:223581,COC(=O)c1cccc2cc(-c3ccc4c(C5CN(C(=O)OC(C)(C)C)C5)ncn4c3)n(C(=O)OC(C)(C)C)c12,MNEAHIPVYAHWGC-UHFFFAOYSA-N
-rxn:4:214220:224723,CCN(CC)S(=O)(=O)c1ccc(-c2ccc3[nH]c(C4CCCN4C(=O)OC(C)(C)C)nc3c2)c(C)c1,YRKUAHACCMDUNQ-UHFFFAOYSA-N
-rxn:4:214306:222826,Cn1cc(C(=O)N2CCN(C(=O)c3cccc(-c4cccc(S(=O)(=O)N5CCNCC5)c4)c3)CC2)c2ccccc21,WDQCVDPNPRPLDD-UHFFFAOYSA-N
-rxn:4:214379:223245,COc1c(-c2ccc(C(=O)N3CCN(S(=O)(=O)c4cc5c6c(c4)CCN6C(=O)CC5)CC3)o2)ccc2[nH]ncc12,PMAMSRATJQSJTJ-UHFFFAOYSA-N
-rxn:4:214661:223787,CN1CCN(CCCOc2ccc(-c3c(C(=O)N4CCCC(C(F)(F)F)C4)cnn3C)cc2F)CC1,GCBGKQBDJVFRQQ-UHFFFAOYSA-N
-rxn:4:214680:224646,Cn1cc(-c2ccc(OC3CCOCC3)c(C#N)c2)c(CN2CCCC(C(F)(F)F)C2)n1,NGQYHNIDWZYBGP-UHFFFAOYSA-N
-rxn:4:214711:224426,CCS(=O)(=O)N1CCN(c2ccc(-c3cc(C4CCCCC4)cc(C4CC4)c3)cn2)CC1,WWDHMXHXJAZUDX-UHFFFAOYSA-N
-rxn:4:214746:224352,CN(C)C1CCN(c2ccc(-c3ccc(C4CCCOC4)c(C(F)(F)F)c3)cc2C#N)CC1,QFYHBSQAEUSDPH-UHFFFAOYSA-N
-rxn:4:214768:225171,CN(C)C1CCN(c2ccc([N+](=O)[O-])c(-c3cc(F)cc(CN4CCOCC4)c3)c2)CC1,JBYUVPWHRMIDIR-UHFFFAOYSA-N
-rxn:4:214829:222901,CCCS(=O)(=O)NCc1ccc(-c2cccnc2N2CCOC(C(=O)N3CCSCC3)C2)cc1,CYZQGBYADIMCKC-UHFFFAOYSA-N
-rxn:4:214835:223028,CCCNC(=O)c1ccc(F)c(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCOCC3)C2)c1,LDFOLVFOTUFJEQ-UHFFFAOYSA-N
-rxn:4:214835:224846,CCC1CCC(c2ccc(-c3cc(Cl)cnc3N3CCOC(C(=O)N4CCOCC4)C3)cc2)CC1,BDQJGYRCPHDIQV-UHFFFAOYSA-N
-rxn:4:214835:226088,CCN(CC)Cc1ccc(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCOCC3)C2)cc1,GIGBYGKAKDNKLV-UHFFFAOYSA-N
-rxn:4:214835:226554,CCCOc1cc(F)c(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCOCC3)C2)cc1F,AJTSABJTJQYKOS-UHFFFAOYSA-N
-rxn:4:214837:227252,CCCOc1cc(-c2cnc(N3CCOC(C(=O)N4CCSCC4)C3)c(Cl)c2)ccc1Cl,XHDMTBGZGJDMIJ-UHFFFAOYSA-N
-rxn:4:214838:222890,COc1cc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)c(F)c2)cc(C2CCCNC2)n1,NLZKICUYSYRYLF-UHFFFAOYSA-N
-rxn:4:214852:225908,CCOc1ccc(C(F)(F)F)cc1-c1cncc(C(=O)N2CCC(N3CCCC3)CC2)c1,ZNMKLTFCLHLZHA-UHFFFAOYSA-N
-rxn:4:214866:226231,CCCCOc1ncc(-c2ccc(N3CCCC(C(=O)N4CCOCC4)C3)nc2)cc1C,YUWLXNJFRMZHNK-UHFFFAOYSA-N
-rxn:4:214868:226272,CCN(C)C(=O)c1cccc(-c2cccnc2N2CCOC(C(=O)N3CCCCC3)C2)c1,ZGBOLKIWDBTYKJ-UHFFFAOYSA-N
-rxn:4:214870:225520,CCCCOC(=O)c1cccc(-c2cc(Cl)cnc2N2CCCC(C(=O)N3CCOCC3)C2)c1,LOZUOSNABDGAAQ-UHFFFAOYSA-N
-rxn:4:214871:227878,CCCCCc1ccc(-c2cnc(N3CCCC(C(=O)N4CCOCC4)C3)c(Cl)c2)s1,RDFGUUYNLNVIFC-UHFFFAOYSA-N
-rxn:4:214872:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cc(Cl)cnc3N3CCOC(C(=O)N4CCCCC4)C3)c(F)c2)CC1,KBERLJHQXITPDU-SOHZNPICSA-N
-rxn:4:214873:226259,CCCCOc1ccc(-c2cnc(N3CCCC(C(=O)N4CCOCC4)C3)c(F)c2)cc1Cl,GEDVNLPHJYYNCH-UHFFFAOYSA-N
-rxn:4:214874:226236,CCCCOc1ncc(C)cc1-c1cnc(N2CCOC(C(=O)N3CCCCC3)C2)c(F)c1,IRSDSBNXYYTHAZ-UHFFFAOYSA-N
-rxn:4:214883:227226,CC(C)COc1ncccc1-c1cnccc1N1CCC(C(=O)N2CCC(F)(F)CC2)CC1,PTTRLOAOONZSHX-UHFFFAOYSA-N
-rxn:4:214891:222583,O=C(NCCN1CCOCC1)c1ccc(-c2cccc(-c3nc(C4CC(=O)N(C5CCCCC5)C4)no3)c2)cc1,DJZGVYKRWZSILN-UHFFFAOYSA-N
-rxn:4:215077:223983,CCN1CCN(S(=O)(=O)c2ccccc2-c2ccc(C(=O)N3CCn4nc(C5CC5)cc4C3)o2)CC1,IKCYPFNAUZZNQT-UHFFFAOYSA-N
-rxn:4:215105:223898,CC(C)N(C(=O)OC(C)(C)C)c1ccc(-c2n[nH]c3c2CN(C(=O)OC(C)(C)C)C3(C)C)cc1,CMBHABKRPMZTKV-UHFFFAOYSA-N
-rxn:4:215190:222538,c1ccc(N2CC3CCN(Cc4ccccc4-c4cc(C5CCCC5)nc(C5CCNCC5)c4)C3C2)nc1,SKBSWMQODZQMSW-UHFFFAOYSA-N
-rxn:4:215219:224714,CCCCOc1ccc(-c2ccc3ccc(N4CCOC(C(=O)N5CCOCC5)C4)nc3c2)cc1C(F)(F)F,BFJRHJMZEVSRQZ-UHFFFAOYSA-N
-rxn:4:215232:224672,CCN1CCN(c2ccc(-c3ccc4ccc(N5CCCC(C(=O)N6CCOCC6)C5)nc4c3)c(Cl)c2)CC1,FCDPJYLVYLUHBR-UHFFFAOYSA-N
-rxn:4:215295:222945,CC(C)NS(=O)(=O)c1ccc(-c2cnc3n2CCc2ccccc2C32CCN(C(=O)OC(C)(C)C)CC2)cc1F,DVQBLEIUONUTNR-UHFFFAOYSA-N
-rxn:4:215304:225408,Cc1ccc(C2=NN3C(C2)c2cc(-c4cc5c6c(c4)CCCN6CCC5)ccc2OC32CCN(Cc3ccccc3)CC2)cc1,XPVOYSUPTFEPIB-UHFFFAOYSA-N
-rxn:4:215876:223945,CCc1nc(N2CCN(C)CC2)sc1-c1ccc(OCCCN2CCOCC2)c(F)c1,QZBWSVLJNFUYKE-UHFFFAOYSA-N
-rxn:4:215912:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3cnc(N4CCN(S(C)(=O)=O)CC4)c(Cl)c3)c2)CC1,CUPFPEGDOGADRS-UHFFFAOYSA-N
-rxn:4:215942:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3ncccc3N3CCC(N(C)C)CC3)cc2)CC1,ZLEWUQOVIKVFJR-UHFFFAOYSA-N
-rxn:4:215958:223748,CC(C)N1CCN(c2cncc(-c3cc(N4CCCCC4)cc(N4CCCCC4)c3)c2)CC1,FDILEFVDTIPSCG-UHFFFAOYSA-N
-rxn:4:215990:223071,CCS(=O)(=O)NCc1ccc(-c2ccc(N3CCN(C4CCN(C)CC4)CC3)cc2)cc1,XVCVNEWMAHLANY-UHFFFAOYSA-N
-rxn:4:216051:223542,COC(=O)c1nc2c(Cl)nccn2c1-c1ccc(OC(F)(F)F)c(S(=O)(=O)N2CCN(C)CC2)c1,APQQNNAANSYSOH-UHFFFAOYSA-N
-rxn:4:216059:223542,CN1CCN(S(=O)(=O)c2cc(-c3cc([N+](=O)[O-])cc4c(Cl)c(C#N)cnc34)ccc2OC(F)(F)F)CC1,JLYHEKAIHMGZRY-UHFFFAOYSA-N
-rxn:4:216354:224488,CC(=O)N1CCC2(CC1)Oc1ccc(-c3ccc(C(=O)N(C(C)C)C(C)C)cc3)cc1C1CC(c3ccccc3)=NN12,KNUXPTFDMMPUBP-UHFFFAOYSA-N
-rxn:4:217905:225718,COC(COc1cccc(-c2ccc3c(c2)C2CC(c4ccc(C)o4)=NN2C2(CCN(C)CC2)O3)c1)OC,XCLMGSVOBXKFSM-UHFFFAOYSA-N
-rxn:4:218581:223866,CC1(C)CCCC(C)(C)N1Cc1ccccc1-c1cnc(OCC2CCN(C(=O)Cc3cccnc3)CC2)nc1,FPEJUUSFNSODGN-UHFFFAOYSA-N
-rxn:4:218590:222819,N#Cc1ccccc1S(=O)(=O)N1CCCC(COc2ncc(-c3ccc(NC(=O)N4CCOCC4)nc3)cn2)C1,QXPNJYMCZSKFTD-UHFFFAOYSA-N
-rxn:4:218652:223886,CN(CC1CCN(C(=O)OC(C)(C)C)CC1)c1cnc(-c2cccc3c2CCN(C(=O)OC(C)(C)C)C3)cn1,RJDMOVNJAXQYLS-UHFFFAOYSA-N
-rxn:4:218656:224672,CCN1CCN(c2ccc(-c3cnc(OCC4CCCN(C(=O)c5cn(C)c(=O)cc5OC)C4)nc3)c(Cl)c2)CC1,IWKUEASCJBXMAB-UHFFFAOYSA-N
-rxn:4:218681:225389,CCC(C)c1cc(-c2cnc(OCC3CCN(C(=O)C4CCN(C(C)=O)CC4)CC3)nc2)cc(C2CC2)c1,FKPBUKCSGWAJDW-UHFFFAOYSA-N
-rxn:4:218682:229040,CC(=O)N1CCC(C(=O)N2CCCC(COc3ncc(-c4cccc(C)c4Cl)cn3)C2)CC1,FUEBMVJXTGLVOU-UHFFFAOYSA-N
-rxn:4:218775:228005,CSc1cc(C)c(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCCCCC4)CC3)c2)cc1C,PSKJTDYIUKSBNI-UHFFFAOYSA-N
-rxn:4:218785:226025,CCSc1nnc2c(n1)OC(c1ccc(OC)c(OC)c1)N(C(C)=O)c1ccc(-c3cnc(OC4CCOC4)nc3Cl)cc1-2,OJBGOPBALMQIBY-UHFFFAOYSA-N
-rxn:4:218788:223928,CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C2CCCCC2)c1=NC(=O)c1ccccc1-c1cnc2c(c1)CN(C(=O)OC(C)(C)C)CC2,XWNFGHUGXAHOMZ-UHFFFAOYSA-N
-rxn:4:218867:223294,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3csc(N4CCNCC4)n3)c2)no1,LIGSMWXGCJVNAF-UHFFFAOYSA-N
-rxn:4:218868:225829,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3cnc(N4CCC(C)CC4)nc3)cc2)no1,YGYSSFRAVWCMRZ-UHFFFAOYSA-N
-rxn:4:218868:225947,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3cnc(N4CCN(C)CC4)nc3)cc2)no1,ITRJIFDXEPCARU-UHFFFAOYSA-N
-rxn:4:218868:226619,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3cnc(N4CCCC4)nc3C)cc2)no1,RYBKZQWVATXFCJ-UHFFFAOYSA-N
-rxn:4:218868:227403,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3ccc(N4CCCCC4)s3)cc2)no1,JUZYVEYUFAYQQU-UHFFFAOYSA-N
-rxn:4:218921:223604,O=C(CCc1ccccc1-c1cccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1)N1CCN(c2ncc(F)cn2)C(=O)C1,BRMDFOHFWLSJFY-UHFFFAOYSA-N
-rxn:4:218948:227011,CC(C)OCc1ccc(-c2cnc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)nc2)cc1,HPFXERPEOMHJMX-UHFFFAOYSA-N
-rxn:4:218968:224395,O=C(c1cncc(-c2cc(N3CCOCC3)cc(C(F)(F)F)c2)c1)N1CCCC(Cc2nc(C3CC3)no2)C1,BGSSVCXYJJMARG-UHFFFAOYSA-N
-rxn:4:219046:226249,CCCCOc1cc(Cl)cc(-c2cnc(OCC3CCCN(C4CCN(C5CC5)C4=O)C3)nc2)c1,OWVJBVYWTIGZPC-UHFFFAOYSA-N
-rxn:4:219076:225898,COc1ccc(Cl)cc1C(=O)N1CCCN(c2cc(-c3ccc(-c4cnn(CCN5CCOCC5)c4)cc3)n[nH]2)CC1,UCKNLZZFSHZDJL-UHFFFAOYSA-N
-rxn:4:219157:223526,COc1ccc(-c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cc2)c(C(=O)N2CCN(C(=O)c3cnn4ccccc34)CC2)c1,AQQPULVLBBOGHQ-UHFFFAOYSA-N
-rxn:4:219365:224196,CCN1CCN(Cc2cc(F)cc(-c3cncc(C(=O)N4CCCC(Oc5ncc(F)cn5)C4)c3)c2)CC1,CDGOPYOAIGXULR-UHFFFAOYSA-N
-rxn:4:219373:225952,Cc1nc(N2CCOCC2)ncc1-c1cnn(C2CCN(C(=O)OC(C)(C)C)CC2)n1,SWKMUSQGOPRXFW-UHFFFAOYSA-N
-rxn:4:219407:224847,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3cc(C(C)(C)C)ccc3C(C)(C)C)cn2)CC1,OYGCBVJKGWTHPO-UHFFFAOYSA-N
-rxn:4:219419:224010,COc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1ccc(C(=O)N2CCN(c3cc(C(F)(F)F)nc(C)n3)CC2)o1,YAUHMNRSXNIWKV-UHFFFAOYSA-N
-rxn:4:219419:225005,Cc1nc(N2CCN(C(=O)c3ccc(-c4cccc(C(C)N5CCOCC5)c4)o3)CC2)cc(C(F)(F)F)n1,IKNQEZODYFUBDN-UHFFFAOYSA-N
-rxn:4:219433:222465,O=C(c1ccc(-c2cc(C3CCCCC3)nc(C3CCCNC3)c2)o1)N1CCN(c2ccc(C3CC3)nn2)CC1,WZZFWUCZZNKUNG-UHFFFAOYSA-N
-rxn:4:219433:223523,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc(C(=O)N4CCN(c5ccc(C6CC6)nn5)CC4)o3)c3ccccc23)CC1,SIZHAIRKZHLIDO-UHFFFAOYSA-N
-rxn:4:219436:224234,N#Cc1cc(-c2cc(OCc3ccccc3)c(F)cc2F)cnc1N1CCOC(C(=O)N2CCOCC2)C1,UTTPECPAAPZEES-UHFFFAOYSA-N
-rxn:4:219438:223498,CC(C)(C)OC(=O)N1CCCN(C(=O)c2ccc(-c3ccccc3CN3CCN(c4cc(C(F)(F)F)ncn4)CC3)cc2)CC1,JSTFWUOJFWPHSG-UHFFFAOYSA-N
-rxn:4:219451:223806,COc1ccc(COc2c(F)ccc(-c3cn(C)nc3C(=O)N3CCCN(CC4CC4)CC3)c2F)cc1,JJFOJGAEYZRHQF-UHFFFAOYSA-N
-rxn:4:219455:222965,CCCC(=O)NCc1ccc(-c2n[nH]c(C3CCN(C(=O)OC(C)(C)C)CC3C)n2)cc1,KGLMYWDQVOUPEP-UHFFFAOYSA-N
-rxn:4:219458:223842,COc1ccnc(N2CCN(Cc3ccccc3-c3cc(F)c(F)cc3S(=O)(=O)N3CCC(C)CC3)CC2)n1,LOBQBDPDTPPGSO-UHFFFAOYSA-N
-rxn:4:219475:222604,COc1ccc(-c2cccnc2OC2CCN(C(=O)c3ccc(=O)n(C)n3)CC2)cc1S(=O)(=O)NC1CCCC1,FOYVGCJYVWSIGG-UHFFFAOYSA-N
-rxn:4:219488:226005,C[C@H]1CN(C(=O)OC(C)(C)C)CCN1c1ncc(-c2ccc(OCC(F)(F)F)c(F)c2)cn1,LDRXZXHOABHTTC-AWEZNQCLSA-N
-rxn:4:219506:222846,N#Cc1ccc(C2CCCNC2)cc1-c1ccc(S(=O)(=O)N2CCCN(S(=O)(=O)c3c[nH]cn3)CC2)cc1,MXXDCSYMRRJVTN-UHFFFAOYSA-N
-rxn:4:219534:224620,CC(C)(C)[Si](C)(C)OCc1ccc(-c2cncc(C(=O)N3CCC(n4nc(C5CC5)ccc4=O)CC3)c2)cn1,JYKMJGJVWKZFPT-UHFFFAOYSA-N
-rxn:4:219565:226181,Cc1cc(C)c(C#N)c(N2CCCN(S(=O)(=O)c3ccc(-c4ccc(C5=CCCCC5)nc4)cc3)CC2)n1,WRRZSVSIJMBYQN-UHFFFAOYSA-N
-rxn:4:219653:225980,CC(C)(C)OC(=O)N1CCN(c2nc3ccc(-c4cc(N5CCOCC5)ncc4F)nc3s2)CC1,WFXKQSPFPKLFPA-UHFFFAOYSA-N
-rxn:4:219662:222635,CC(=O)C(C)n1c(-c2cccc([C@H](C)NC(=O)OC(C)(C)C)c2)nc2c1c(=O)n(Cc1ccc(F)cc1)c(=O)n2C,VRISQDVWSYYDOG-ZENAZSQFSA-N
-rxn:4:219676:223813,O=C(c1cncc(-c2ccc(CN3CCC4(CC3)OCCO4)c(F)c2)c1)N1CCC(Oc2cnc3ccccc3n2)CC1,SYDVDXIRNOFLEQ-UHFFFAOYSA-N
-rxn:4:219689:225436,CC(C)(C)OC(=O)N1CCN(c2ccc3ncc(-c4ccc(CN5CCCCC5)cc4)n3c2)CC1,ZFUMITNZVUMBGM-UHFFFAOYSA-N
-rxn:4:219689:225984,CC(C)(C)OC(=O)N1CCN(c2ccc3ncc(-c4cnc(Cl)c(N5CCOCC5)c4)n3c2)CC1,YAEZLHHOVYAALV-UHFFFAOYSA-N
-rxn:4:219704:225882,CC(C)(C)OC(=O)N1CCN(c2cnc3ccc(-c4cnc(Cl)c(C5CCOCC5)c4)cc3n2)CC1,AANFYLYXZLLBDZ-UHFFFAOYSA-N
-rxn:4:219707:227166,CN1CCOc2cc(-c3c(Cl)cc4c(N5CCN(C(=O)OC(C)(C)C)CC5)ncnc4c3F)ccc21,ILVLFTJKUJPNOC-UHFFFAOYSA-N
-rxn:4:219742:223581,COC(=O)c1cccc2cc(-c3cncc(C(=O)N4CCC(Cn5nc6c(cc5=O)CCC6)CC4)c3)n(C(=O)OC(C)(C)C)c12,XMJXNNDWRAVHCG-UHFFFAOYSA-N
-rxn:4:219749:223569,CC(C)c1nn(Cc2ccc(-c3cnc4c(ccn4[Si](C(C)C)(C(C)C)C(C)C)c3F)cc2)c(=O)c2c1cnn2C(C)(C)C,AQXFPVOBRXZJCD-UHFFFAOYSA-N
-rxn:4:219762:226238,CCCOc1ccc(-c2ccc(C3=C(C(C)=O)Sc4nnc(C5CCCCC5)n4N3C(C)=O)cc2)cc1C#N,IXHUBAKROZNQON-UHFFFAOYSA-N
-rxn:4:219858:223522,CC(C)(C)[Si](C)(C)OC1CCN(c2cc(F)cc(-c3ccccc3C(=O)N3CCC(n4ccnn4)C3)c2)CC1,BXAHSVSLLDETOP-UHFFFAOYSA-N
-rxn:4:219872:222903,COCCNC(=O)c1ccc(-c2nc(N3CCN(C)CC3)c(Cl)nc2C(=O)OC)c(Cl)c1,JGRPJEHXLCCMPG-UHFFFAOYSA-N
-rxn:4:219955:226183,O=C(C1CN(c2ncc(-c3cnccc3C3CCCCC3)cn2)CCO1)N1CCSCC1,UZNLNSLSENPJCL-UHFFFAOYSA-N
-rxn:4:219959:222894,CCCCS(=O)(=O)Nc1cccc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)nc2)c1,KHSHFDZOGOEHJT-UHFFFAOYSA-N
-rxn:4:219959:223595,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(N4CCOC(C(=O)N5CCOCC5)C4)nc3)cc2F)CC1,JXXVKCRWHXUROW-UHFFFAOYSA-N
-rxn:4:219965:222632,Cc1ncnc(N2CCN(C(=O)c3ccccc3-c3cccc(C(=O)NCCN4CCCC4)c3)CC2)c1F,KXXLVCVPBBKEIK-UHFFFAOYSA-N
-rxn:4:219978:223506,Cc1ccnc(N2CCN(Cc3cccc(-c4cccc(S(=O)(=O)N5CCN(C(=O)OC(C)(C)C)CC5)c4)c3)CC2)n1,WDIDVUITOGXAGZ-UHFFFAOYSA-N
-rxn:4:219988:223673,O=C(C1CCCN(c2ncc(-c3cccc(COc4cc(C(F)(F)F)ccc4Cl)c3)cn2)C1)N1CCOCC1,ICRHBMQNDBJVLY-UHFFFAOYSA-N
-rxn:4:219991:226535,COC(=O)c1cc(OC)cc(-c2cncc(C(=O)N3CCC(N4CC(=O)N(C)C4=O)CC3)c2)c1,HSZWARGQOIWINY-UHFFFAOYSA-N
-rxn:4:219998:226718,COc1nc(OC)c(-c2cnc(N3CCC(C(=O)N4CCC(F)(F)CC4)CC3)nc2)cc1SC,ZHJSZOCBUGAXNU-UHFFFAOYSA-N
-rxn:4:220082:223504,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnn(CC4CN(c5ccc6ccccc6n5)C4)c3)cc2[N+](=O)[O-])CC1,YPZZWCSILIKTLS-UHFFFAOYSA-N
-rxn:4:220149:222818,COC(=O)c1cc(-c2ccc3c(N4CC(C(=O)N5CCOCC5)CC4=O)[nH]nc3c2)c(F)cc1NC(C)=O,WXIBPMZQRDAIJV-UHFFFAOYSA-N
-rxn:4:220159:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc4nc(N5CCC(c6nnc(C7CC7)o6)CC5)sc4c3)c(F)cc2C)CC1,FHZUEMCGFOUKNZ-UHFFFAOYSA-N
-rxn:4:220162:223556,CSc1ncc(-c2ccc3c(c2)c2ccccc2n3C(=O)OC(C)(C)C)c(N2CC(N3CC4CCCC4C3)C2)n1,AUUBVKKDHMASKZ-UHFFFAOYSA-N
-rxn:4:220191:223750,CC(C)(C)[Si](C)(C)Oc1c(-c2ccc3nc(N4CCOC(C(=O)N5CCCC5)C4)ncc3c2)ccc2cccnc12,NCBMWGTVAGCTBK-UHFFFAOYSA-N
-rxn:4:220209:222804,O=S1(=O)CCC(Nc2ccc(-c3ccccc3S(=O)(=O)N3CCCc4cnc(N5CCOCC5)nc43)cc2)CC1,IYFIHHCCFYQIQR-UHFFFAOYSA-N
-rxn:4:220430:225050,CC1CCN(c2cc(F)cc(-c3cnc(N4CCCN(C5CCSC5)CC4)nc3)c2)CC1,ODNSBGVKZVAJEI-UHFFFAOYSA-N
-rxn:4:220463:222540,O=C(NCCN1CCCCC1)c1cccc(-c2cc([N+](=O)[O-])c(N3CCOCC3)c3nsnc23)c1,SPJWGGYRUKIELR-UHFFFAOYSA-N
-rxn:4:220533:222776,OC1CCN(Cc2ccc(-c3cnc(N4CC(N5CC6CCCC6C5)C4)nc3)c(F)c2)CC1,FAOVVGIJZSYSKQ-UHFFFAOYSA-N
-rxn:4:220558:223929,CC(C)(C)OC(=O)N1CCc2cc(-c3cc4c(s3)-n3c(nnc3C3CCCCC3)CN=C4c3ccccc3Cl)cnc2C1,DFHYUSYHYIHESA-UHFFFAOYSA-N
-rxn:4:221098:222869,CC(C)CNC(=O)c1cc(-c2cnc(OCC3CCN(C(=O)c4cn(C)nc4C(F)F)CC3)nc2)ccc1F,JKAONWJGMZXBFR-UHFFFAOYSA-N
-rxn:4:221101:224196,CCN1CCN(Cc2cc(F)cc(-c3cnc(OCC4CCCN(C(=O)c5cn(C)nc5OC)C4)nc3)c2)CC1,LGVLMCVBGCLFNW-UHFFFAOYSA-N
-rxn:4:221105:223789,CCn1cc(S(=O)(=O)N2CCCC(COc3ncc(-c4cc(O[Si](C)(C)C(C)(C)C)cc(C(=O)OC)c4)cn3)C2)nc1C,KSWHTXXTSUNFAF-UHFFFAOYSA-N
-rxn:4:221116:227991,CCOc1ccc(-c2ccc(Cl)cc2C2CC2)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N3CCCCC3)n2)CC1,BWDSDDQIINXQPK-UHFFFAOYSA-N
-rxn:4:221153:222546,N#Cc1ccnc(OCC2CCCN(c3ncc(-c4ccc(OCCNC5CCCCC5)c(F)c4)cn3)C2)c1,PVGPELQWEOINOQ-UHFFFAOYSA-N
-rxn:4:221169:222693,Cn1cc(S(=O)(=O)N2CCCC(COc3ncc(-c4ccc(S(=O)(=O)NC5CCCCC5)cc4)cn3)C2)cn1,GWYWGXYSGIKWTG-UHFFFAOYSA-N
-rxn:4:221172:223522,Cn1nc(C(=O)N2CCC(COc3ncc(-c4cc(F)cc(N5CCC(O[Si](C)(C)C(C)(C)C)CC5)c4)cn3)CC2)ccc1=O,IFKLFNZOFHMHJC-UHFFFAOYSA-N
-rxn:4:221173:224592,Cn1nc(C(=O)N2CCCC(COc3ncc(-c4cc(C5(C#N)CCCCC5)ccc4F)cn3)C2)ccc1=O,PAPBNTMDDMQKKQ-UHFFFAOYSA-N
-rxn:4:221175:222499,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4cc(S(=O)(=O)NCc5ccccc5)ccc4C)cn3)C2)C(=O)C1=O,MHQUCJQOAIGHKS-UHFFFAOYSA-N
-rxn:4:221175:226560,CCOc1cc(F)c(-c2cnc(OC3CCN(C(=O)N4CCN(CC)C(=O)C4=O)C3)nc2)cc1OC,IEIWCLZBRJOMOE-UHFFFAOYSA-N
-rxn:4:221181:223602,Cc1cc(C(=O)N2CCCC(COc3ncc(-c4ccnc(N5CCN(C(=O)OC(C)(C)C)CC5)c4Cl)cn3)C2)nn1C,CKDMBCYXONBGMF-UHFFFAOYSA-N
-rxn:4:221181:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2cnc(OCC3CCCN(C(=O)c4cc(C)n(C)n4)C3)nc2)CC1,OTBAPRMNHIRTNE-UHFFFAOYSA-N
-rxn:4:221204:222508,O=C(NCc1ccc(F)cc1)c1ccc(Cl)c(-c2ccc(CCN3CCN(c4nccc(N5CCOCC5)n4)CC3)cc2)c1,YJBZHHQKZJVLBG-UHFFFAOYSA-N
-rxn:4:221208:223118,CCCC(=O)Nc1cccc(-c2ccc(CCN3CCN(c4cc(C)nc(N5CCOCC5)n4)CC3)cc2)c1,OXPQEIWPDHJHCD-UHFFFAOYSA-N
-rxn:4:221233:222430,Cc1cn2nc(OCC3CCN(C(=O)c4cncc(-c5ccc(S(=O)(=O)Nc6ccc(OC(F)(F)F)cc6)cc5)c4)CC3)ccc2n1,MCCCIKAIWVPXDP-UHFFFAOYSA-N
-rxn:4:221249:222996,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc4c(-c5ccc(F)cc5C5CCCNC5)cnn4c3)cc2)CC1,SHOFCJZVENEBMH-UHFFFAOYSA-N
-rxn:4:221249:222997,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc4c(-c5ccc(Cl)cc5C5CCCNC5)cnn4c3)cc2)CC1,JSFZWPKQDKXOMT-UHFFFAOYSA-N
-rxn:4:221249:222998,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc4c(-c5cc(F)cc(C6CCCNC6)c5)cnn4c3)cc2)CC1,LTRYYFIDVNDGAC-UHFFFAOYSA-N
-rxn:4:221249:222999,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc4c(-c5cc(Cl)cc(C6CCCNC6)c5)cnn4c3)cc2)CC1,NSUGCJHRHLGYJV-UHFFFAOYSA-N
-rxn:4:221249:223000,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc4c(-c5ccc(C6CCCNC6)c(F)c5)cnn4c3)cc2)CC1,UVEGWNKVPXERAR-UHFFFAOYSA-N
-rxn:4:221249:223001,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc4c(-c5cc(C6CCCNC6)ccc5F)cnn4c3)cc2)CC1,VDTZXQXMZAXWHR-UHFFFAOYSA-N
-rxn:4:221249:225170,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc4c(-c5cc(F)ccc5CN5CCOCC5)cnn4c3)cc2)CC1,JGQQWIBRKDARLU-UHFFFAOYSA-N
-rxn:4:221249:225172,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc4c(-c5cc(CN6CCOCC6)ccc5F)cnn4c3)cc2)CC1,FUGLGMOOEDKXST-UHFFFAOYSA-N
-rxn:4:221249:225174,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc4c(-c5ccc(F)cc5CN5CCOCC5)cnn4c3)cc2)CC1,LXVJXSJKQWRRGU-UHFFFAOYSA-N
-rxn:4:221249:225176,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc4c(-c5ccc(CN6CCOCC6)c(Cl)c5)cnn4c3)cc2)CC1,WCSYKALNNUOFNF-UHFFFAOYSA-N
-rxn:4:221249:225177,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc4c(-c5ccc(CN6CCSCC6)c(F)c5)cnn4c3)cc2)CC1,WNVXVLFPOUCBAR-UHFFFAOYSA-N
-rxn:4:221249:225178,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc4c(-c5ccc(CN6CCOCC6)cc5F)cnn4c3)cc2)CC1,UMBCURUOQQNFQL-UHFFFAOYSA-N
-rxn:4:221249:225181,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc4c(-c5cccc(CN6CCOCC6)c5F)cnn4c3)cc2)CC1,VCWGYMIPEUKMPZ-UHFFFAOYSA-N
-rxn:4:221249:225977,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc4c(-c5cc(Cl)cnc5N5CCOCC5)cnn4c3)cc2)CC1,XGKBMBKEHXYVPS-UHFFFAOYSA-N
-rxn:4:221250:222898,COC(=O)CNC(=O)c1ccc(-c2ccc(C3=NN(C(=O)CN4CCCCC4)C(c4nc5ccccc5[nH]4)C3)cc2)cc1,XEKNQOGIOAVTSE-UHFFFAOYSA-N
-rxn:4:221267:223889,CCCCCn1c(=O)c2c(nc3n2CCCN3c2ccc(-c3cccc4c3CN(C(=O)OC(C)(C)C)CC4)cc2)n(C)c1=O,RSKMEHLPGMEBMF-UHFFFAOYSA-N
-rxn:4:221310:223504,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(OCC4CCCN(c5nncs5)C4)nc3)cc2[N+](=O)[O-])CC1,QFWZNIIJVZJRQJ-UHFFFAOYSA-N
-rxn:4:221352:222546,Fc1cc(-c2cnc(OC3CCN(c4nc(C5CC5)ns4)CC3)nc2)ccc1OCCNC1CCCCC1,WETUZWJOXUEKEJ-UHFFFAOYSA-N
-rxn:4:221373:222634,Cc1n[nH]c(C)c1C(=O)N1CCCC(Oc2ncc(-c3ccc(OCCNC4CCCC4)c(F)c3)cn2)C1,ZYNKDMOCNJHUOH-UHFFFAOYSA-N
-rxn:4:221375:222584,Cn1cnc(N2CCCC(COc3ncc(-c4ccc(OCCCN5CCNCC5)c(F)c4)cn3)C2)cc1=O,AIRFGBZCTNTAGX-UHFFFAOYSA-N
-rxn:4:221402:224193,CCN1CCN(Cc2cc(-c3ccccc3CN3CCN(c4ccnc(N(C)C)n4)CC3)ccc2F)CC1,TVGOUMLHDUPHOX-UHFFFAOYSA-N
-rxn:4:221416:226981,CCCCCCc1ccsc1-c1ccc(C(=O)N2CCN(c3ccc(N4CCCCC4)nn3)CC2)o1,MMNMIGKOMQZELR-UHFFFAOYSA-N
-rxn:4:221416:227611,O=C(c1ccc(-c2ccnn2C2CCCCO2)o1)N1CCN(c2ccc(N3CCCCC3)nn2)CC1,JGUUHSDTJDNNLA-UHFFFAOYSA-N
-rxn:4:221434:222702,O=C(c1ccccc1-c1cc(C2CCCNC2)ccc1C(F)(F)F)N1CCN(c2ccc(N3CCCCC3)nn2)CC1,JYSRNOZUVUJVBI-UHFFFAOYSA-N
-rxn:4:221435:226865,O=C(c1cccc(-c2ccc(Cl)c(OC(F)(F)F)c2)c1)N1CCN(c2ccc(N3CCCCC3)nn2)CC1,RJZPGBVRDPFOMH-UHFFFAOYSA-N
-rxn:4:221438:223077,CC1CCCCN1c1ccc(N2CCN(C(=O)c3ccc(-c4ccc(S(=O)(=O)NC5CC5)cc4)o3)CC2)nn1,TVHQIJPMVQXQLN-UHFFFAOYSA-N
-rxn:4:221440:227416,Cc1cc(N2CCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(F)nc(C5CCC5)c4)cc3)CC2)n1,DANLNDLHWMRTBO-UHFFFAOYSA-N
-rxn:4:221449:228234,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4c(C5CC5)ccnc4F)cc3)CC2)n1,GXEAPBGGAMYHFD-UHFFFAOYSA-N
-rxn:4:221453:223239,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4cncc(C5CCCN5)c4)cc3)CC2)n1,SIDHSTZBZNNOKO-UHFFFAOYSA-N
-rxn:4:221453:223242,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4ccnc(C5CCNC5)c4)cc3)CC2)n1,AXDGLKPLVAKENL-UHFFFAOYSA-N
-rxn:4:221456:228207,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(C5CC5)cnc4F)cc3)CC2)n1,OPRIVOPXQOWIDW-UHFFFAOYSA-N
-rxn:4:221456:228234,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4c(C5CC5)ccnc4F)cc3)CC2)n1,AXUJJBXGUNHTTM-UHFFFAOYSA-N
-rxn:4:221559:223976,COCCn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3cc(OC4CCCC4)cc(OC(F)(F)F)c3)cc2)n(C)c1=O,LQTWAADQWZOJNC-UHFFFAOYSA-N
-rxn:4:221620:224187,Fc1cc(OCCN2CCCCC2)ccc1-c1cnc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)nc1,ALXLZRDDIPUBMZ-UHFFFAOYSA-N
-rxn:4:221633:222621,Cc1ccnc(N2CCN(c3ncc(C(F)(F)F)cc3-c3cc(CC(C)C)nc(C4CCCNC4)c3)CC2)n1,UJFRHMFGZONWNK-UHFFFAOYSA-N
-rxn:4:221634:222718,Cc1ccnc(N2CCN(c3ncc(-c4cc(S(=O)(=O)N5CCNCC5)ccc4C)cc3C(F)(F)F)CC2)n1,JOCKKZZCSWGYKL-UHFFFAOYSA-N
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-rxn:4:222054:226256,CCCCOc1cc(F)ccc1-c1ccc(C(=O)N2CCN(c3ccc(N4CCN(C)CC4)nn3)CC2)o1,UXZVWRMEUSDILL-UHFFFAOYSA-N
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-rxn:4:222389:214869,Cc1nc(N2CCN(Cc3ccccc3)CC2)ccc1-c1cc(C2CCNCC2)nc(C2CCNCC2)c1,OOEGBRNJYTXAGQ-UHFFFAOYSA-N
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-rxn:4:222613:187030,CCCNS(=O)(=O)c1ccc(-c2ccc(C(=O)N(C(C)C)C(C)C)cc2)c(C(F)(F)F)c1,COQVZPAXPDLVQB-UHFFFAOYSA-N
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-rxn:4:222693:194736,CC1CCCN(S(=O)(=O)c2cc3cc(-c4ccc(S(=O)(=O)NC5CCCCC5)cc4)ccc3oc2=O)C1,KPVVAVNKNHVKBP-UHFFFAOYSA-N
-rxn:4:222723:215961,CN1CCN(c2ccc(S(N)(=O)=O)cc2-c2cccc(NS(=O)(=O)N3CCOCC3)c2)CC1,TVNGTFIEOZNIIV-UHFFFAOYSA-N
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-rxn:4:222821:187416,CC(C)(C)NS(=O)(=O)c1cc(-c2ccccc2C2CCCN2C(=O)OC(C)(C)C)ccc1F,XLCVQTJDQURFAC-UHFFFAOYSA-N
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-rxn:4:222901:219988,CCCS(=O)(=O)NCc1ccc(-c2cnc(N3CCCC(C(=O)N4CCOCC4)C3)nc2)cc1,VGULKAXFPOQCCR-UHFFFAOYSA-N
-rxn:4:222940:186910,CC(C)(C)NS(=O)(=O)c1cncc(-c2ccc(C(F)(F)F)cc2/C=N/S(=O)C(C)(C)C)c1,VHCROEGUQZARIY-RPPGKUMJSA-N
-rxn:4:223092:187249,COC(=O)c1ccc(-c2cccc(NS(=O)(=O)N(C)C)c2)c(CN2CCC(F)(F)CC2)c1,WXEWWLXHRUHNJP-UHFFFAOYSA-N
-rxn:4:223102:185130,CC(C)(C)NS(=O)(=O)c1sccc1-c1cccc(CC2CN(C(=O)OC(C)(C)C)C2)c1,NNBNQYKBWNNPCV-UHFFFAOYSA-N
-rxn:4:223102:187220,CC(C)(C)NS(=O)(=O)c1sccc1-c1cc(C2CN(C(=O)OC(C)(C)C)C2)ccc1F,ZEURPDRXBRFRJF-UHFFFAOYSA-N
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-rxn:4:223811:175872,COc1ccc(-c2ccc(CN3CCC4(CC3)OCCO4)c(Cl)c2)cc1COC1CCCC1,LWKYYACJVJYGRP-UHFFFAOYSA-N
-rxn:4:223920:174009,COC(=O)C(C(C)=O)C(=O)c1ccc(-c2ccc(C(=O)N(C)C3CCCCC3)cc2Cl)cc1,BNCOYLPPBJVYKQ-UHFFFAOYSA-N
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-rxn:5:177184:225636:225800,CCOC(=O)c1c(-c2ccc(C(=O)N3CCSC3)cc2)ccc(C)c1-c1ccnc(N2CCC(C)CC2)c1,AESLIJZIRICLLE-UHFFFAOYSA-N
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-rxn:5:177190:226649:223054,CCS(=O)(=O)Cc1ccc(-c2ccc(C(C)N3CCC(O)C3)s2)c(-c2cccnc2N2CCOCC2)c1,FQHAQWOQXHUNBV-UHFFFAOYSA-N
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-rxn:5:177191:225603:223008,N#CC1(c2cccc(-c3cc(-c4cc(C5CCNCC5)ccc4F)ccc3CC(=O)C3CC3)c2F)CCC1,OHDMHLUUOMCKRL-UHFFFAOYSA-N
-rxn:5:177193:222989:223062,CCOC(=O)c1cc(C)c(-c2ccc(N3CCNCC3)cc2C)cc1-c1cnc(C2CCNCC2)cc1F,JWLXUPMHUQWXKJ-UHFFFAOYSA-N
-rxn:5:177445:223054:222987,CC(C)=CCOc1ccc(-c2ccc(C(C)N3CCC(O)C3)s2)cc1-c1ccc(C2CCNCC2)nc1C,BIYLKVCPGUOORF-UHFFFAOYSA-N
-rxn:5:177729:225590:226794,CC(C)(C)OC(=O)c1ccc(-c2ccc(CN3CCCC3)c(F)c2)cc1-c1cnc(N2CCSCC2)nc1,NIIMHLJFRMLRQS-UHFFFAOYSA-N
-rxn:5:177729:225591:226794,CC(C)(C)OC(=O)c1ccc(-c2cc(CN3CCCC3)ccc2F)cc1-c1cnc(N2CCSCC2)nc1,SVFIEPHTGDEUCM-UHFFFAOYSA-N
-rxn:5:177729:225592:226794,CC(C)(C)OC(=O)c1ccc(-c2cc(F)ccc2CN2CCCC2)cc1-c1cnc(N2CCSCC2)nc1,UFPXEQFQIYCADN-UHFFFAOYSA-N
-rxn:5:177729:225593:226794,CC(C)(C)OC(=O)c1ccc(-c2cc(F)cc(CN3CCCC3)c2)cc1-c1cnc(N2CCSCC2)nc1,ULJXVRVYDYYLMX-UHFFFAOYSA-N
-rxn:5:177729:225594:226794,CC(C)(C)OC(=O)c1ccc(-c2ccc(F)cc2CN2CCCC2)cc1-c1cnc(N2CCSCC2)nc1,HWBJDLOXOULSGS-UHFFFAOYSA-N
-rxn:5:177729:226649:225438,CC(c1ccc(-c2cc(-c3cccnc3N3CCOCC3)ccc2C(=O)OC(C)(C)C)cc1)N1CCCC1,WOTMLTPZQQYPKC-UHFFFAOYSA-N
-rxn:5:177730:225590:226794,CC(C)(C)OC(=O)c1cc(-c2ccc(CN3CCCC3)c(F)c2)ccc1-c1cnc(N2CCSCC2)nc1,ZNVAQNZMZQQAAH-UHFFFAOYSA-N
-rxn:5:177730:225591:226794,CC(C)(C)OC(=O)c1cc(-c2cc(CN3CCCC3)ccc2F)ccc1-c1cnc(N2CCSCC2)nc1,VLLFWLPPENTHMT-UHFFFAOYSA-N
-rxn:5:177730:225594:226794,CC(C)(C)OC(=O)c1cc(-c2ccc(F)cc2CN2CCCC2)ccc1-c1cnc(N2CCSCC2)nc1,SYGJMJAYVPPCJM-UHFFFAOYSA-N
-rxn:5:177730:225639:226663,CC1CCN(c2ncccc2-c2ccc(-c3ccc(N4CCSCC4)nc3)c(C(=O)OC(C)(C)C)c2)CC1,OZVQDXABCDYNCR-UHFFFAOYSA-N
-rxn:5:177730:225655:226663,CC1CCN(c2cncc(-c3ccc(-c4ccc(N5CCSCC5)nc4)c(C(=O)OC(C)(C)C)c3)c2)CC1,NYVUODVHNWMLGH-UHFFFAOYSA-N
-rxn:5:177731:225451:226060,CC(C)(C)OC(=O)c1ccc(-c2cc(C3CC3)cc(C3CC3)c2)cc1-c1ccc(SC2CCCCC2)cc1,ZTBXUAISIXFSBJ-UHFFFAOYSA-N
-rxn:5:177731:225592:226794,CC(C)(C)OC(=O)c1ccc(-c2cnc(N3CCSCC3)nc2)cc1-c1cc(F)ccc1CN1CCCC1,YKRLJTBPFGQHQJ-UHFFFAOYSA-N
-rxn:5:177731:225594:226794,CC(C)(C)OC(=O)c1ccc(-c2cnc(N3CCSCC3)nc2)cc1-c1ccc(F)cc1CN1CCCC1,FWZFVMTYSNOBKW-UHFFFAOYSA-N
-rxn:5:177731:225868:226794,CC(C)(C)OC(=O)c1ccc(-c2cnc(N3CCSCC3)nc2)cc1-c1ccc(N2CCOCC2)c(F)c1,ZKCLRRLEWWQYPY-UHFFFAOYSA-N
-rxn:5:177731:226069:225453,CC(C)(C)OC(=O)c1ccc(-c2cccc(SC3CCCCC3)c2)cc1-c1cccc(C2CCCCC2)c1,PBOQIHCPDQSKQD-UHFFFAOYSA-N
-rxn:5:177732:223294:225978,CC(C)(C)OC(=O)c1ccc(-c2csc(N3CCNCC3)n2)c(-c2ccc(N3CCOCC3)nc2F)c1,OEVZCDINGISBJD-UHFFFAOYSA-N
-rxn:5:177732:225803:225656,CC1CCCCN1c1cncc(-c2cc(C(=O)OC(C)(C)C)ccc2-c2ccnc(OC3CCOCC3)c2)c1,XPHJJEHBLXPUDW-UHFFFAOYSA-N
-rxn:5:177732:225849:226663,CC(C)(C)OC(=O)c1ccc(-c2cnc(N3CCCCC3)cc2F)c(-c2ccc(N3CCSCC3)nc2)c1,UGLOIHBFQBAFKV-UHFFFAOYSA-N
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-rxn:5:177732:226794:225593,CC(C)(C)OC(=O)c1ccc(-c2cnc(N3CCSCC3)nc2)c(-c2cc(F)cc(CN3CCCC3)c2)c1,JGFSORJEGGMWGU-UHFFFAOYSA-N
-rxn:5:177732:226794:225834,CC(C)(C)OC(=O)c1ccc(-c2cnc(N3CCSCC3)nc2)c(-c2cc(N3CCCCC3)ncc2F)c1,HUFYMAGZDVWIIA-UHFFFAOYSA-N
-rxn:5:177733:223294:225978,CC(C)(C)OC(=O)c1cc(-c2csc(N3CCNCC3)n2)cc(-c2ccc(N3CCOCC3)nc2F)c1,ALIJJOWWBAJMHA-UHFFFAOYSA-N
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-rxn:5:177733:225593:226794,CC(C)(C)OC(=O)c1cc(-c2cnc(N3CCSCC3)nc2)cc(-c2cc(F)cc(CN3CCCC3)c2)c1,XXFVXTBPVIIUHN-UHFFFAOYSA-N
-rxn:5:177733:225639:226663,CC1CCN(c2ncccc2-c2cc(C(=O)OC(C)(C)C)cc(-c3ccc(N4CCSCC4)nc3)c2)CC1,MKYIKYKMXXDMCF-UHFFFAOYSA-N
-rxn:5:177733:225978:223294,CC(C)(C)OC(=O)c1cc(-c2csc(N3CCNCC3)n2)cc(-c2ccc(N3CCOCC3)nc2F)c1,ALIJJOWWBAJMHA-UHFFFAOYSA-N
-rxn:5:177733:225978:226794,CC(C)(C)OC(=O)c1cc(-c2cnc(N3CCSCC3)nc2)cc(-c2ccc(N3CCOCC3)nc2F)c1,DUZRZFMDWCVHCD-UHFFFAOYSA-N
-rxn:5:177733:225982:223294,CC(C)(C)OC(=O)c1cc(-c2csc(N3CCNCC3)n2)cc(-c2cnc(N3CCOCC3)cc2F)c1,GEJYQRDPIYMFSE-UHFFFAOYSA-N
-rxn:5:177734:223130:223062,Cc1cc(-c2ccc(CN3CC(O)C3)cc2)c(-c2cnc(C3CCNCC3)cc2F)cc1C(=O)OC(C)C,NPVPSRFUFMSUSS-UHFFFAOYSA-N
-rxn:5:177734:226644:226662,Cc1cc(-c2cncc(N3CCOCC3)c2)c(-c2ccc(N3CCN(C)CC3)s2)cc1C(=O)OC(C)C,HUJYYOWVMZQDPG-UHFFFAOYSA-N
-rxn:5:177736:223061:223294,CC(C)(C)OC(=O)c1ccc(-c2csc(N3CCNCC3)n2)c(-c2cc(C3CCNCC3)ncc2F)c1,MDQZFZVKWIZSMS-UHFFFAOYSA-N
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-rxn:5:177736:225407:225451,CC(C)(C)OC(=O)c1ccc(-c2ccc(SC3CCCCC3)cc2)c(-c2ccc(C3CCCCCC3)cc2)c1,FXMCNADNVVUAKV-UHFFFAOYSA-N
-rxn:5:177736:225438:225982,CC(c1ccc(-c2cc(C(=O)OC(C)(C)C)ccc2-c2cnc(N3CCOCC3)cc2F)cc1)N1CCCC1,AURNVXLAMGEZSG-UHFFFAOYSA-N
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-rxn:5:178313:223062:227092,Cc1nc(C2CCC2)ccc1-c1cc(O[Si](C)(C)C(C)(C)C)ccc1-c1cnc(C2CCNCC2)cc1F,IOOPHPWYUKAAKG-UHFFFAOYSA-N
-rxn:5:178313:225946:227357,CCC(=O)c1cc(-c2cc(O[Si](C)(C)C(C)(C)C)ccc2-c2cc(C(C)=O)cc(C(F)(F)F)c2)ccc1F,CEFZWHLYTNVHLX-UHFFFAOYSA-N
-rxn:5:178313:227413:222987,Cc1nc(C2CCNCC2)ccc1-c1cc(O[Si](C)(C)C(C)(C)C)ccc1-c1cnc(C2CCC2)cc1F,RQMPIJAYTHYHSQ-UHFFFAOYSA-N
-rxn:5:178314:223138:222985,Cc1nc(C2CCCNC2)ccc1-c1ccc(-c2ccnc(C3CCNCC3)c2)cc1O[Si](C)(C)C(C)(C)C,VQKNPTCVKDUGIP-UHFFFAOYSA-N
-rxn:5:178314:223140:222987,Cc1nc(C2CCNCC2)ccc1-c1ccc(-c2ccnc(C3CCCNC3)c2)cc1O[Si](C)(C)C(C)(C)C,OOSZBASLYDUCCI-UHFFFAOYSA-N
-rxn:5:178314:226190:226150,CC(C)(C)[Si](C)(C)Oc1cc(-c2ccc(C3CCCC3)cc2F)ccc1-c1cccc(SC2CCCC2)c1,DCWDGOSDEXROQG-UHFFFAOYSA-N
-rxn:5:178315:222987:227295,Cc1nc(C2CCNCC2)ccc1-c1cc(O[Si](C)(C)C(C)(C)C)cc(-c2ccnc(OC3CCC3)c2)c1,FKUOFUOUJHHBHC-UHFFFAOYSA-N
-rxn:5:178315:222988:227491,Cc1cc(-c2cc(O[Si](C)(C)C(C)(C)C)cc(-c3cnc(OC4CCC4)nc3)c2)cc(C2CCNCC2)n1,VROASXINRMAOGV-UHFFFAOYSA-N
-rxn:5:178315:225499:226916,CC(C)(C)[Si](C)(C)Oc1cc(-c2cccc(C3=CCCC3)c2)cc(-c2ccc(C3CCCCC3)cc2F)c1,AYKLBFOKISLUCT-UHFFFAOYSA-N
-rxn:5:178353:223294:225600,Cc1cc(S(=O)(=O)Oc2ccc(-c3cccnc3OC3CCCCC3)c(C)c2)c(C)cc1-c1csc(N2CCNCC2)n1,MAORYNOMTMYKKG-UHFFFAOYSA-N
-rxn:5:178353:225849:226794,Cc1cc(OS(=O)(=O)c2cc(C)c(-c3cnc(N4CCCCC4)cc3F)cc2C)ccc1-c1cnc(N2CCSCC2)nc1,XTXYYLHCOCXEER-UHFFFAOYSA-N
-rxn:5:178467:222957:228292,CCOC(=O)C1=Cc2cc(-c3ccnc4c3OCCO4)cc(-c3cc(C)cc(C4CCCNC4)c3)c2OC1,IHQHIRCXJKHWHI-UHFFFAOYSA-N
-rxn:5:178467:222984:223242,CCOC(=O)C1=Cc2cc(-c3ccnc(C4CCNC4)c3)cc(-c3ccc(CN4CCC(O)C4)cc3)c2OC1,KWEGFCZSTZQZGK-UHFFFAOYSA-N
-rxn:5:178467:222988:227703,CCOC(=O)C1=Cc2cc(-c3cnc(F)c(C(=O)OC)c3)cc(-c3cc(C)nc(C4CCNCC4)c3)c2OC1,PFQPGYYFQNUOJE-UHFFFAOYSA-N
-rxn:5:178467:223061:227278,CCOC(=O)C1=Cc2cc(-c3ccc(C4(C#N)CC4)nc3)cc(-c3cc(C4CCNCC4)ncc3F)c2OC1,IKCFUGSGPGTIFH-UHFFFAOYSA-N
-rxn:5:178467:223061:227975,CCOC(=O)C1=Cc2cc(-c3cccc([Si](C)(C)C)c3)cc(-c3cc(C4CCNCC4)ncc3F)c2OC1,ZAUCNUXTMYXYFP-UHFFFAOYSA-N
-rxn:5:178467:223136:225602,CCOC(=O)C1=Cc2cc(-c3cc(C4(C#N)CCC4)ccc3F)cc(-c3ccncc3C3CCCNC3)c2OC1,PXEUAARVCJJZCC-UHFFFAOYSA-N
-rxn:5:178467:223136:226320,CCOC(=O)C1=Cc2cc(-c3cc(C4(C#N)CC4)ccc3F)cc(-c3ccncc3C3CCCNC3)c2OC1,IETFDHHYGFTJDX-UHFFFAOYSA-N
-rxn:5:178467:223137:225602,CCOC(=O)C1=Cc2cc(-c3cc(C4(C#N)CCC4)ccc3F)cc(-c3cncc(C4CCCNC4)c3)c2OC1,ZFEGOTPVRMRXJK-UHFFFAOYSA-N
-rxn:5:178467:223203:223139,CCOC(=O)C1=Cc2cc(-c3ccc(C4CCNCC4)nc3)cc(-c3cccc(C4(O)CCC4)c3)c2OC1,HXVJQDPNQXSUHT-UHFFFAOYSA-N
-rxn:5:178467:223281:223002,CCOC(=O)C1=Cc2cc(-c3ccc(C4CCNCC4)cc3F)cc(-c3ccc(C4(O)COC4)nc3)c2OC1,VSHHOIGFMXGVCL-UHFFFAOYSA-N
-rxn:5:178467:225603:223135,CCOC(=O)C1=Cc2cc(-c3cccnc3C3CCCNC3)cc(-c3cccc(C4(C#N)CCC4)c3F)c2OC1,CKFKAZMVPCJDDH-UHFFFAOYSA-N
-rxn:5:178467:225603:223242,CCOC(=O)C1=Cc2cc(-c3ccnc(C4CCNC4)c3)cc(-c3cccc(C4(C#N)CCC4)c3F)c2OC1,FGQOALDIRXAGCA-UHFFFAOYSA-N
-rxn:5:178467:225633:228695,CCOC(=O)C1=Cc2cc(-c3csc(CN(C)C)c3)cc(-c3ccc(N4CCCCCC4)nc3)c2OC1,OJCDGVQRAAVBRU-UHFFFAOYSA-N
-rxn:5:178467:225641:228292,CCOC(=O)C1=Cc2cc(-c3ccnc4c3OCCO4)cc(-c3ccnc(N4CCCC(C)C4)c3)c2OC1,LUXVATSMVKOGMO-UHFFFAOYSA-N
-rxn:5:178467:225833:225849,CCOC(=O)C1=Cc2cc(-c3cnc(N4CCCCC4)cc3F)cc(-c3ccnc(N4CCCCC4)c3F)c2OC1,VVGKOQDKIZIJGL-UHFFFAOYSA-N
-rxn:5:178467:225978:228339,CCOC(=O)C1=Cc2cc(-c3ccncc3C(=O)OC)cc(-c3ccc(N4CCOCC4)nc3F)c2OC1,CHBVRYAXZOHHRQ-UHFFFAOYSA-N
-rxn:5:178467:225980:228292,CCOC(=O)C1=Cc2cc(-c3ccnc4c3OCCO4)cc(-c3cc(N4CCOCC4)ncc3F)c2OC1,AJZOLYNPHCLBSO-UHFFFAOYSA-N
-rxn:5:178467:226326:223142,CCOC(=O)C1=Cc2cc(-c3ccc(C4CCCNC4)nc3)cc(-c3cccc(C4(C#N)CC4)c3F)c2OC1,QFRAGHKVNSXYHA-UHFFFAOYSA-N
-rxn:5:178467:226329:223137,CCOC(=O)C1=Cc2cc(-c3cncc(C4CCCNC4)c3)cc(-c3ccc(C4(C#N)CC4)c(F)c3)c2OC1,YDXXTNRKUIBWEH-UHFFFAOYSA-N
-rxn:5:178467:227028:223058,CCOC(=O)C1=Cc2cc(-c3cc(F)nc(C4CCCNC4)c3)cc(-c3cccc(C4(C#N)CC4)c3)c2OC1,VCXMDEGHSTUZJA-UHFFFAOYSA-N
-rxn:5:178467:227028:223063,CCOC(=O)C1=Cc2cc(-c3cc(F)nc(C4CCNCC4)c3)cc(-c3cccc(C4(C#N)CC4)c3)c2OC1,OWRDFUKBCCNECD-UHFFFAOYSA-N
-rxn:5:178467:227278:223062,CCOC(=O)C1=Cc2cc(-c3cnc(C4CCNCC4)cc3F)cc(-c3ccc(C4(C#N)CC4)nc3)c2OC1,ABMBBBUOGRUHDW-UHFFFAOYSA-N
-rxn:5:178467:227278:223063,CCOC(=O)C1=Cc2cc(-c3cc(F)nc(C4CCNCC4)c3)cc(-c3ccc(C4(C#N)CC4)nc3)c2OC1,YAVFATNSOOLQLN-UHFFFAOYSA-N
-rxn:5:178467:227379:226366,CCOC(=O)C1=Cc2cc(-c3ccnc(N4CCCCC4)c3)cc(-c3cccnc3N3CCCC3)c2OC1,NMFBVLTUCFGYEX-UHFFFAOYSA-N
-rxn:5:178467:227379:226664,CCOC(=O)C1=Cc2cc(-c3cc(N4CCCC4)ncc3F)cc(-c3cccnc3N3CCCC3)c2OC1,YNPSRNRVTPIWKR-UHFFFAOYSA-N
-rxn:5:178915:225813:223054,COc1cc(-c2cc(F)c(OC(C)C)c(F)c2C)c(S(=O)[O-])cc1-c1ccc(C(C)N2CCC(O)C2)s1,MJVDYOICZVNLAX-UHFFFAOYSA-M
-rxn:5:179418:225805:225622,CC(c1ccc(-c2cc(CS(C)(=O)=O)ccc2-c2ccccc2OC2CCCCO2)s1)N1CCOCC1,GQOTWOXTUZLOBF-UHFFFAOYSA-N
-rxn:5:179629:226583:225802,COc1ccc(-c2ccc(CN3CCOCC3)s2)c(S(C)(=O)=O)c1-c1ccc(OC2CCCC2)nc1F,UYKQJGSMDSRKLI-UHFFFAOYSA-N
-rxn:5:180202:225986:225805,CC(c1ccc(-c2cc(-c3ccccc3N3CCCS3(=O)=O)ccc2OC2CCOCC2)s1)N1CCOCC1,KYPHTPVJAYKAIN-UHFFFAOYSA-N
-rxn:5:180297:226059:223183,CNS(=O)(=O)c1ccc(-c2cc(C3(C)OCCO3)c(-c3ccc(C(C)C)cc3C(C)C)cc2OC)c(C)c1,HAZMNEFZGNWVQO-UHFFFAOYSA-N
-rxn:5:180402:223189:226151,Cc1cc(OC(C)C)c(-c2cc(-c3ccc(NS(C)(=O)=O)cc3F)ccc2C(=O)C2CCCCC2)cc1C,MKKWWKUIOLICKM-UHFFFAOYSA-N
-rxn:5:180402:225988:226572,O=C(c1ccc(-c2c(F)cc(C3OCCO3)cc2F)cc1-c1cnc(OC2CCCC2)nc1)C1CCCCC1,XQWLVIPSLXDYFB-UHFFFAOYSA-N
-rxn:5:180402:227045:225394,CC(C)(C)Sc1cccc(-c2ccc(C(=O)C3CCCCC3)c(-c3cc(C4CCC4)cc(C4CC4)c3)c2)c1,PSYZBQNDMVTZTG-UHFFFAOYSA-N
-rxn:5:180402:227371:225499,COc1c(C)ccc(-c2ccc(C(=O)C3CCCCC3)c(-c3ccc(C4CCCCC4)cc3F)c2)c1OC,UIIKVSRJQIJSER-UHFFFAOYSA-N
-rxn:5:180422:225832:226422,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(CC2CCCCC2)cc1-c1cc(F)ccc1N1CCCC1,JEUPEABPUGEMQY-UHFFFAOYSA-N
-rxn:5:180662:223141:227803,COC(=O)C1=Cc2cc(-c3ccnn3S(=O)(=O)N(C)C)cc(-c3cncc(C4CCNCC4)c3)c2OC1,CCAJFIPMKGQILQ-UHFFFAOYSA-N
-rxn:5:180662:226144:223137,COC(=O)C1=Cc2cc(-c3cncc(C4CCCNC4)c3)cc(-c3ccc(C#C[Si](C)(C)C)cc3)c2OC1,FZYNOPGFKWVSBH-UHFFFAOYSA-N
-rxn:5:180662:226649:226747,CCc1ncc(-c2cc3c(c(-c4cccnc4N4CCOCC4)c2)OCC(C(=O)OC)=C3)cc1C(F)(F)F,QJINSQGAIODQDY-UHFFFAOYSA-N
-rxn:5:180662:226649:227803,COC(=O)C1=Cc2cc(-c3ccnn3S(=O)(=O)N(C)C)cc(-c3cccnc3N3CCOCC3)c2OC1,YDQYRSHSEUXOGF-UHFFFAOYSA-N
-rxn:5:181627:225439:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(C2OCCO2)ccc1-c1cccc(C(C)N2CCCC2)c1,IBWCETFLJOYHRT-UHFFFAOYSA-N
-rxn:5:181904:222957:226654,Cc1cc(-c2ccc(C3OCCO3)c(C)c2-c2csc(N3CCC(C)CC3)n2)cc(C2CCCNC2)c1,RTKKQGYRMASANR-UHFFFAOYSA-N
-rxn:5:181904:222957:226686,Cc1cc(-c2ccc(C3OCCO3)c(C)c2-c2c(C)cnn2C2CCCCO2)cc(C2CCCNC2)c1,CMFLFOBYZKPWOF-UHFFFAOYSA-N
-rxn:5:181904:225514:225641,Cc1c(C2OCCO2)ccc(-c2cccc3c2OCC2(CC2)CO3)c1-c1ccnc(N2CCCC(C)C2)c1,BOSSLMJBSRQMIC-UHFFFAOYSA-N
-rxn:5:181904:225683:225514,Cc1nc(C2CCCOC2)ccc1-c1ccc(C2OCCO2)c(C)c1-c1cccc2c1OCC1(CC1)CO2,PILYZSMSMQHOEF-UHFFFAOYSA-N
-rxn:5:181904:225684:225438,Cc1nc(C2CCOCC2)ccc1-c1ccc(C2OCCO2)c(C)c1-c1ccc(C(C)N2CCCC2)cc1,OPYYXNLXGVJEGY-UHFFFAOYSA-N
-rxn:5:181906:222985:225472,Cc1ccc(-c2ccc(C3CCCNC3)nc2C)c(C2OCCO2)c1-c1cccc(N2CCCCC2C)c1,XCWJYBQMQOXIGL-UHFFFAOYSA-N
-rxn:5:181906:225466:225407,Cc1ccc(-c2ccc(N3CCCCC3C)cc2)c(C2OCCO2)c1-c1ccc(C2CCCCCC2)cc1,DPMXKNXHSGWFBV-UHFFFAOYSA-N
-rxn:5:181906:225683:225656,Cc1ccc(-c2ccc(C3CCCOC3)nc2C)c(C2OCCO2)c1-c1cncc(N2CCCCC2C)c1,LVSOFLBDTPHZMW-UHFFFAOYSA-N
-rxn:5:181906:225832:223132,Cc1ccc(-c2c(C)nn(C3CCCCO3)c2C)c(C2OCCO2)c1-c1cccc(N2CCNCC2)c1,LPFIYEHTOCSQMX-UHFFFAOYSA-N
-rxn:5:181907:222996:225640,Cc1cc(-c2ccc(F)cc2C2CCCNC2)c(-c2ccnc(N3CCCCC3C)c2)c(C2OCCO2)c1,PBRXOIXBPJRGTA-UHFFFAOYSA-N
-rxn:5:181907:225453:225638,Cc1cc(-c2cccc(SC3CCCCC3)c2)c(-c2ccc(N3CCC(C)CC3)nc2)c(C2OCCO2)c1,TZLWPXHPNOXMOJ-UHFFFAOYSA-N
-rxn:5:181907:225469:226686,Cc1cc(-c2ccc(N3CCCC(C)C3)cc2)c(-c2c(C)cnn2C2CCCCO2)c(C2OCCO2)c1,RDNLRJSVIQWUEQ-UHFFFAOYSA-N
-rxn:5:181907:225639:222987,Cc1cc(-c2cccnc2N2CCC(C)CC2)c(-c2ccc(C3CCNCC3)nc2C)c(C2OCCO2)c1,MWGWELPQOBKHTB-UHFFFAOYSA-N
-rxn:5:181907:225639:225633,Cc1cc(-c2cccnc2N2CCC(C)CC2)c(-c2ccc(N3CCCCCC3)nc2)c(C2OCCO2)c1,ALFNMYLAVRFTQN-UHFFFAOYSA-N
-rxn:5:181907:225832:226186,Cc1cc(-c2c(C)nn(C3CCCCO3)c2C)c(-c2ccccc2C2CCOCC2)c(C2OCCO2)c1,VACZDFSPEJSJMY-UHFFFAOYSA-N
-rxn:5:181907:225884:222959,Cc1cc(-c2ccc(C3COCCO3)c(F)c2)c(-c2ccc(C3CCNCC3)c(C)c2)c(C2OCCO2)c1,JTCUDXBYPWDZKI-UHFFFAOYSA-N
-rxn:5:181908:222958:222957,Cc1cc(-c2cc(C3OCCO3)c(C)cc2-c2ccc(C)c(C3CCNCC3)c2)cc(C2CCCNC2)c1,HDNAHNNHBJKHKV-UHFFFAOYSA-N
-rxn:5:181908:225470:222986,Cc1cc(-c2cc(C3OCCO3)c(C)cc2-c2ccc(N3CCC(C)CC3)cc2)cc(C2CCCNC2)n1,PJVJHQNOUCUCQZ-UHFFFAOYSA-N
-rxn:5:181908:225588:225656,Cc1cc(-c2ccccc2CN2CCSCC2)c(-c2cncc(N3CCCCC3C)c2)cc1C1OCCO1,UQWHBHJCGNDFRB-UHFFFAOYSA-N
-rxn:5:181908:226686:225453,Cc1cc(-c2c(C)cnn2C2CCCCO2)c(-c2cccc(SC3CCCCC3)c2)cc1C1OCCO1,OQTXICPPHPQRJD-UHFFFAOYSA-N
-rxn:5:182009:226059:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2ccc(C(C)C)cc2C(C)C)c(C2CCOCC2)c1,GGWAVTJKWPQVLP-UHFFFAOYSA-N
-rxn:5:182010:226191:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(C2CCOCC2)c(-c2cc(C3CCCC3)ccc2F)c1,DRQVKZHRNXFSFX-UHFFFAOYSA-N
-rxn:5:182011:225832:226185,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(C2CCOCC2)cc1-c1ccc(C2CCOCC2)cc1,HFXMDYQZOISPQG-UHFFFAOYSA-N
-rxn:5:182012:222998:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2cc(F)cc(C3CCCNC3)c2)cc1C1CCCOC1,ACPSGQNPFQRVFP-UHFFFAOYSA-N
-rxn:5:182012:225988:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(-c2c(F)cc(C3OCCO3)cc2F)cc1C1CCCOC1,ZCPLKYCOJOHCPG-UHFFFAOYSA-N
-rxn:5:183189:225832:223132,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2cccc(N3CCNCC3)c2)cc2c1OC(C)(C)OC2,UYMDCXQRUDMKDG-UHFFFAOYSA-N
-rxn:5:188445:225451:226605,COC(=O)c1cc(-c2ccc(SC3CCCCC3)cc2)cc([N+](=O)[O-])c1-c1cc(F)c(OC(C)C)cc1F,KEEQRCGEMXVZDB-UHFFFAOYSA-N
-rxn:5:188459:226374:225454,COC(=O)c1cc([N+](=O)[O-])c(-c2cncnc2C2CCCCC2)cc1-c1ccc(C2=CCN(C)CC2)cc1,RVMKQZOOWVLDOD-UHFFFAOYSA-N
-rxn:5:188633:223064:222957,COC(=O)c1c(-c2ccc(C3CCNCC3)nc2F)cnc(OC)c1-c1cc(C)cc(C2CCCNC2)c1,OWTKBNBPJJKAAP-UHFFFAOYSA-N
-rxn:5:188874:226048:222991,CON(C)C(=O)c1ccc(-c2ccc(N3CCCC(O)C3)cc2)cc1-c1c(F)ccc(F)c1OC(F)(F)F,VOAFSJBCVFLDPL-UHFFFAOYSA-N
-rxn:5:188930:223139:223135,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccc(C3CCNCC3)nc2)cc1-c1cccnc1C1CCCNC1,UUVZVAZHOHTQAQ-UHFFFAOYSA-N
-rxn:5:188930:227381:225677,COC(=O)c1cc(S(N)(=O)=O)c(-c2cnc(C3CCCC3)nc2)cc1-c1ccc(C2CCCCC2)nc1F,NYZXRJCTUDIXAG-UHFFFAOYSA-N
-rxn:5:188930:227438:226330,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccnc(C3CCOC3)c2)cc1-c1ccc(C(C)N2CCCC2)s1,GBNGIXQWFWZVJT-UHFFFAOYSA-N
-rxn:5:188931:227381:225674,COC(=O)c1cc(-c2cnc(C3CCCC3)nc2)cc(S(N)(=O)=O)c1-c1cnc(C2CCCCC2)cc1F,WDFOVHOPVISDCM-UHFFFAOYSA-N
-rxn:5:188932:223139:223139,COC(=O)c1cc(-c2ccc(C3CCNCC3)nc2)c(S(N)(=O)=O)c(-c2ccc(C3CCNCC3)nc2)c1,FDKSWVYNGCEGPX-UHFFFAOYSA-N
-rxn:5:188932:226649:223138,COC(=O)c1cc(-c2ccnc(C3CCNCC3)c2)c(S(N)(=O)=O)c(-c2cccnc2N2CCOCC2)c1,KESHDOPYYSPWBR-UHFFFAOYSA-N
-rxn:5:189001:226331:223061,COC(=O)C1(c2nc(-c3cc(C4CCNCC4)ncc3F)ccc2-c2ccc(C3(C#N)CC3)cc2F)CC1,HJWHLOJIWUCBLY-UHFFFAOYSA-N
-rxn:5:189207:226047:228254,COc1ccc(-c2ccc(-c3ccc(OC(F)(F)F)c(F)c3F)cc2C(=O)ON2C(=O)CCC2=O)c(C)c1F,PBRNGMVBPKOEJA-UHFFFAOYSA-N
-rxn:5:189208:223061:227914,CC(C)Oc1ccccc1-c1cc(-c2cc(C3CCNCC3)ncc2F)ccc1C(=O)ON1C(=O)CCC1=O,JUQJTCWRMOUJLV-UHFFFAOYSA-N
-rxn:5:189210:226415:227835,Cc1ccc(-c2cccc(-c3ccccc3N3CCOCC3)c2C(=O)ON2C(=O)CCC2=O)cc1C1CC1,XWJLNVWHEGAJAF-UHFFFAOYSA-N
-rxn:5:189210:227206:226176,Cc1c(-c2cccc(-c3ccncc3C3CCCCC3)c2C(=O)ON2C(=O)CCC2=O)ccc2c1COC2=O,CHTNBSZSXJCIDZ-UHFFFAOYSA-N
-rxn:5:189210:227300:227040,Cc1ccc(OC(C)C)c(-c2cccc(-c3cncc(OC4CCC4)c3)c2C(=O)ON2C(=O)CCC2=O)c1,WQRNAYQVPSLBPJ-UHFFFAOYSA-N
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-rxn:5:189319:226679:222990,CC(C)(C)OC(=O)c1nc(-c2ccc(N3CCC(O)CC3)cc2)ccc1-c1cnc(N2CCCC2)cc1F,UZZIXDXUIHHNSA-UHFFFAOYSA-N
-rxn:5:189320:223061:226414,CC(C)(C)OC(=O)c1cnc(-c2ccc(C3=NCCCO3)cc2)c(-c2cc(C3CCNCC3)ncc2F)c1,YAJSCICDDWHMAL-UHFFFAOYSA-N
-rxn:5:189320:223064:226414,CC(C)(C)OC(=O)c1cnc(-c2ccc(C3=NCCCO3)cc2)c(-c2ccc(C3CCNCC3)nc2F)c1,JQIMIIXHWJCIOF-UHFFFAOYSA-N
-rxn:5:189320:225591:226663,CC(C)(C)OC(=O)c1cnc(-c2ccc(N3CCSCC3)nc2)c(-c2cc(CN3CCCC3)ccc2F)c1,NCFHQIXRFCQMJO-UHFFFAOYSA-N
-rxn:5:189320:225601:223138,CC(C)(C)OC(=O)c1cnc(-c2ccnc(C3CCNCC3)c2)c(-c2ccc(C3(C#N)CCC3)cc2F)c1,WWENIAPIZLLWGC-UHFFFAOYSA-N
-rxn:5:189320:225602:223138,CC(C)(C)OC(=O)c1cnc(-c2ccnc(C3CCNCC3)c2)c(-c2cc(C3(C#N)CCC3)ccc2F)c1,SNYGBGBZMVXREG-UHFFFAOYSA-N
-rxn:5:189320:225603:223138,CC(C)(C)OC(=O)c1cnc(-c2ccnc(C3CCNCC3)c2)c(-c2cccc(C3(C#N)CCC3)c2F)c1,MVWRGQQTIOCQBU-UHFFFAOYSA-N
-rxn:5:189320:225980:223131,CC(C)(C)OC(=O)c1cnc(-c2ccc(N3CCNCC3)cc2)c(-c2cc(N3CCOCC3)ncc2F)c1,CPJMWFCWDNBMHV-UHFFFAOYSA-N
-rxn:5:189320:225982:226663,CC(C)(C)OC(=O)c1cnc(-c2ccc(N3CCSCC3)nc2)c(-c2cnc(N3CCOCC3)cc2F)c1,GHTBOYZFTKDHLW-UHFFFAOYSA-N
-rxn:5:189320:226658:225589,CC(C)(C)OC(=O)c1cnc(-c2ccc(CN3CCSCC3)cc2)c(-c2ccc(N3CCCC3)nc2F)c1,DDOKHSURDZCGQE-UHFFFAOYSA-N
-rxn:5:189320:226664:225598,CC(C)(C)OC(=O)c1cnc(-c2cccc(CN3CCSCC3)c2)c(-c2cc(N3CCCC3)ncc2F)c1,WZJUFCIZQGPNQK-UHFFFAOYSA-N
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-rxn:5:189320:226679:225598,CC(C)(C)OC(=O)c1cnc(-c2cccc(CN3CCSCC3)c2)c(-c2cnc(N3CCCC3)cc2F)c1,UYFXROIEFAEFIG-UHFFFAOYSA-N
-rxn:5:189322:225454:226794,CN1CC=C(c2ccc(-c3cnc(-c4cnc(N5CCSCC5)nc4)c(C(=O)OC(C)(C)C)c3)cc2)CC1,AHIBUFKHLYBKPP-UHFFFAOYSA-N
-rxn:5:189322:225589:225639,CC1CCN(c2ncccc2-c2ncc(-c3ccc(CN4CCSCC4)cc3)cc2C(=O)OC(C)(C)C)CC1,CRKLIXITHOJYAM-UHFFFAOYSA-N
-rxn:5:189322:226662:225639,CC1CCN(c2ncccc2-c2ncc(-c3ccc(N4CCN(C)CC4)s3)cc2C(=O)OC(C)(C)C)CC1,QQFSBFQKXJNVRI-UHFFFAOYSA-N
-rxn:5:189323:225590:226794,CC(C)(C)OC(=O)c1cc(-c2cnc(N3CCSCC3)nc2)ncc1-c1ccc(CN2CCCC2)c(F)c1,NUVJKRAXCBMAAX-UHFFFAOYSA-N
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-rxn:5:189323:225982:223294,CC(C)(C)OC(=O)c1cc(-c2csc(N3CCNCC3)n2)ncc1-c1cnc(N2CCOCC2)cc1F,SJEDKJCUPNBNJW-UHFFFAOYSA-N
-rxn:5:189323:226663:225590,CC(C)(C)OC(=O)c1cc(-c2ccc(CN3CCCC3)c(F)c2)ncc1-c1ccc(N2CCSCC2)nc1,SXDNETVFDLEEHH-UHFFFAOYSA-N
-rxn:5:189323:226663:225593,CC(C)(C)OC(=O)c1cc(-c2cc(F)cc(CN3CCCC3)c2)ncc1-c1ccc(N2CCSCC2)nc1,NMIXOFAPBXHAQS-UHFFFAOYSA-N
-rxn:5:189334:222994:226679,CC(C)(C)OC(=O)c1ncc(-c2cccc(N3CCC(O)CC3)c2)cc1-c1cnc(N2CCCC2)cc1F,CZQISASZHSIBBW-UHFFFAOYSA-N
-rxn:5:189334:225590:226663,CC(C)(C)OC(=O)c1ncc(-c2ccc(CN3CCCC3)c(F)c2)cc1-c1ccc(N2CCSCC2)nc1,IQPBNIBXKFSGGP-UHFFFAOYSA-N
-rxn:5:189334:225590:226794,CC(C)(C)OC(=O)c1ncc(-c2ccc(CN3CCCC3)c(F)c2)cc1-c1cnc(N2CCSCC2)nc1,MRNCFSSANBGIFS-UHFFFAOYSA-N
-rxn:5:189334:226663:225590,CC(C)(C)OC(=O)c1ncc(-c2ccc(N3CCSCC3)nc2)cc1-c1ccc(CN2CCCC2)c(F)c1,XWTAHQOODMKCKF-UHFFFAOYSA-N
-rxn:5:189334:226663:225593,CC(C)(C)OC(=O)c1ncc(-c2ccc(N3CCSCC3)nc2)cc1-c1cc(F)cc(CN2CCCC2)c1,IABDGSPOFOLAOA-UHFFFAOYSA-N
-rxn:5:189334:226794:225590,CC(C)(C)OC(=O)c1ncc(-c2cnc(N3CCSCC3)nc2)cc1-c1ccc(CN2CCCC2)c(F)c1,UQVHYIYJZJUMRE-UHFFFAOYSA-N
-rxn:5:189334:226794:225591,CC(C)(C)OC(=O)c1ncc(-c2cnc(N3CCSCC3)nc2)cc1-c1cc(CN2CCCC2)ccc1F,ONUANIWSGMNNRS-UHFFFAOYSA-N
-rxn:5:189539:227390:225453,CC(C)N(C)C(=O)c1cccc(-c2ccnn2C2CCCCC2)c1-c1cccc(SC2CCCCC2)c1,KZJKPHHZUFWTAU-UHFFFAOYSA-N
-rxn:5:189665:223018:227067,COc1ccc(-c2cc(-c3ccc4c(c3)NC(=O)C(C)(C)O4)cnc2OCC2CCOCC2)c(C2CC2)c1,YCQWQPFVWVOYAL-UHFFFAOYSA-N
-rxn:5:189667:223082:227048,CNS(=O)(=O)c1c(C)cc(-c2cc(/C=N/[S@@](=O)C(C)(C)C)cc(-c3ccc(C(=O)C(C)C)cc3)c2)cc1C,YUQVXQOMDFXPDF-CQWNDZCESA-N
-rxn:5:189667:225451:226067,CC(C)(C)[S@](=O)/N=C/c1cc(-c2ccc(SC3CCCCC3)cc2)cc(-c2ccc(C3=CCCCC3)cc2)c1,YWFLLFYEKXPOPI-VEPRTGNQSA-N
-rxn:5:189673:225498:227045,CC(C)(C)Sc1cccc(-c2cc(-c3cc(C4CCCCC4)ccc3F)ccc2/C=N/S(=O)C(C)(C)C)c1,MAUNSIJIKGRPJF-FADJLKOXSA-N
-rxn:5:189676:225436:227052,CC(C)(C)Sc1ccc(-c2ccc(CC(=O)N3CCCC3)cc2-c2ccc(CN3CCCCC3)cc2)cc1,WQZOHRHUYRWJOI-UHFFFAOYSA-N
-rxn:5:189676:226181:226152,COc1cc(C2CC2)cc(-c2ccc(CC(=O)N3CCCC3)cc2-c2ccc(C3=CCCCC3)nc2)c1C,VRZXEJRTTAVWEB-UHFFFAOYSA-N
-rxn:5:189676:227062:226032,CCOc1ccc(-c2cc(CC(=O)N3CCCC3)ccc2-c2cc(OC)cc(C(F)(F)F)c2F)c(C)c1C,GEULKTWWTIQPLW-UHFFFAOYSA-N
-rxn:5:189909:223061:225833,Fc1cnc(C2CCNCC2)cc1-c1ccc(-c2ccnc(N3CCCCC3)c2F)cc1CCN1CCOCC1,SVCHEYSKIVABIN-UHFFFAOYSA-N
-rxn:5:189909:226794:226366,c1cc(-c2ccc(-c3cnc(N4CCSCC4)nc3)c(CCN3CCOCC3)c2)cc(N2CCCCC2)n1,GBQXUJWGLHULEJ-UHFFFAOYSA-N
-rxn:5:190000:226146:227053,CC(C)(C)Oc1cccc(-c2ccc(CC(=O)N3CCCCC3)c(-c3ccc(SC4CCCC4)cc3)c2)c1,FRBNBBJNMYDGJY-UHFFFAOYSA-N
-rxn:5:190000:227064:225453,CC(C)(C)Oc1ccccc1-c1cc(-c2cccc(SC3CCCCC3)c2)ccc1CC(=O)N1CCCCC1,MDOJCWVTXOXVBB-UHFFFAOYSA-N
-rxn:5:190000:228154:225451,COc1cccc(OC)c1-c1cc(-c2ccc(SC3CCCCC3)cc2)ccc1CC(=O)N1CCCCC1,OHEPBTPUQSVRHC-UHFFFAOYSA-N
-rxn:5:190001:227045:226146,CC(C)(C)Sc1cccc(-c2cc(CC(=O)N3CCCCC3)ccc2-c2ccc(SC3CCCC3)cc2)c1,BYGFXXBZLPMTEX-UHFFFAOYSA-N
-rxn:5:190001:227348:225451,COc1ccc(-c2cc(CC(=O)N3CCCCC3)ccc2-c2ccc(SC3CCCCC3)cc2)c(C)c1OC,XAXVTRDUNLRFLL-UHFFFAOYSA-N
-rxn:5:190127:223065:223011,COC1CCN(C(=O)c2cc(-c3ccc(N4CCNCC4)cc3F)ccc2-c2cc3[nH]ncc3cc2OC(C)C)CC1,KSZYOPSMXUOMRM-UHFFFAOYSA-N
-rxn:5:190127:223112:225591,COC1CCN(C(=O)c2cc(-c3c(C(C)C)ccc4[nH]ncc34)ccc2-c2cc(CN3CCCC3)ccc2F)CC1,JXYSBEJROOMFBC-UHFFFAOYSA-N
-rxn:5:190127:227057:226146,COc1cccc(-c2ccc(-c3ccc(SC4CCCC4)cc3)c(C(=O)N3CCC(OC)CC3)c2)c1C1CC1,LLSOTCWVAGIXFS-UHFFFAOYSA-N
-rxn:5:190127:227935:225453,CCc1cc(-c2ccc(-c3cccc(SC4CCCCC4)c3)c(C(=O)N3CCC(OC)CC3)c2)ccc1OC,AGCDTYCDYDPDQM-UHFFFAOYSA-N
-rxn:5:190128:223112:222989,COC1CCN(C(=O)c2ccc(-c3c(C(C)C)ccc4[nH]ncc34)c(-c3ccc(N4CCNCC4)cc3C)c2)CC1,CZJPDXYHDWAROE-UHFFFAOYSA-N
-rxn:5:190128:223112:225593,COC1CCN(C(=O)c2ccc(-c3c(C(C)C)ccc4[nH]ncc34)c(-c3cc(F)cc(CN4CCCC4)c3)c2)CC1,YBILCSAMZHOMMW-UHFFFAOYSA-N
-rxn:5:190128:225592:223112,COC1CCN(C(=O)c2ccc(-c3cc(F)ccc3CN3CCCC3)c(-c3c(C(C)C)ccc4[nH]ncc34)c2)CC1,RUTXLYHKGHJUOT-UHFFFAOYSA-N
-rxn:5:190128:225594:223112,COC1CCN(C(=O)c2ccc(-c3ccc(F)cc3CN3CCCC3)c(-c3c(C(C)C)ccc4[nH]ncc34)c2)CC1,KBDOVQHPYHKTNH-UHFFFAOYSA-N
-rxn:5:190128:228612:225453,COc1cccc(-c2ccc(C(=O)N3CCC(OC)CC3)cc2-c2cccc(SC3CCCCC3)c2)c1C,HPHSCRQLYQMAQT-UHFFFAOYSA-N
-rxn:5:190132:223112:225679,COC1CCN(C(=O)c2ccc(-c3c(C(C)C)ccc4[nH]ncc34)cc2-c2ccc(N3CCCCC3)cc2F)CC1,STXCZGHSAXGTEJ-UHFFFAOYSA-N
-rxn:5:190194:222987:227906,CCC(C)c1ncccc1-c1c(CN2CCC(OC)CC2)cccc1-c1ccc(C2CCNCC2)nc1C,LOHXFHYVOPNHQR-UHFFFAOYSA-N
-rxn:5:190194:222989:228107,CCC(C)c1ncncc1-c1c(CN2CCC(OC)CC2)cccc1-c1ccc(N2CCNCC2)cc1C,PDKMADHLXWQGKN-UHFFFAOYSA-N
-rxn:5:190194:223002:228107,CCC(C)c1ncncc1-c1c(CN2CCC(OC)CC2)cccc1-c1ccc(C2CCNCC2)cc1F,LMVPJTGJBYDXOQ-UHFFFAOYSA-N
-rxn:5:190194:223010:227838,COC1CCN(Cc2cccc(-c3ccc(C4(O)CCOCC4)cc3)c2-c2cc(C)ccc2C2CC2)CC1,CNYWWBIKCSTVIT-UHFFFAOYSA-N
-rxn:5:190194:223061:227818,CCC(C)c1cccc(-c2c(CN3CCC(OC)CC3)cccc2-c2cc(C3CCNCC3)ncc2F)c1,CFCPQSKQDOZDNW-UHFFFAOYSA-N
-rxn:5:190194:223061:227907,CCC(C)c1cncc(-c2c(CN3CCC(OC)CC3)cccc2-c2cc(C3CCNCC3)ncc2F)c1,OHHZHPLIOXGKOP-UHFFFAOYSA-N
-rxn:5:190194:225498:228155,COc1ccc(-c2c(CN3CCC(OC)CC3)cccc2-c2cc(C3CCCCC3)ccc2F)cc1OC,SYRFPVZLMIVFAM-UHFFFAOYSA-N
-rxn:5:190194:225515:223144,COC1CCN(Cc2cccc(-c3cccc4c3OCC(C)(C)CO4)c2-c2ccc(N3CCC(O)C3)cc2)CC1,SNYVNEOVGRKHMF-UHFFFAOYSA-N
-rxn:5:190194:225880:227906,CCC(C)c1ncccc1-c1c(CN2CCC(OC)CC2)cccc1-c1cc(C2CCOCC2)ncc1F,IUQCYTDXQGBAFP-UHFFFAOYSA-N
-rxn:5:190194:226150:227349,COc1cc(C)cc(-c2c(CN3CCC(OC)CC3)cccc2-c2cccc(SC3CCCC3)c2)c1OC,PQPGMHJPAFVSKM-UHFFFAOYSA-N
-rxn:5:190194:226152:226150,COc1cc(C2CC2)cc(-c2cccc(CN3CCC(OC)CC3)c2-c2cccc(SC3CCCC3)c2)c1C,OIKUMHIWHJLSHM-UHFFFAOYSA-N
-rxn:5:190194:226371:227025,CCc1ncc(C2CC2)cc1-c1c(CN2CCC(OC)CC2)cccc1-c1cnc(N2CCCC2)cc1C,OFBKMEIGFAMMTK-UHFFFAOYSA-N
-rxn:5:190194:227836:223010,COC1CCN(Cc2cccc(-c3ccc(C)cc3C3CC3)c2-c2ccc(C3(O)CCOCC3)cc2)CC1,NWEMXYMJLDKGKO-UHFFFAOYSA-N
-rxn:5:190194:227875:223010,COC1CCN(Cc2cccc(-c3cccc4c3CCCO4)c2-c2ccc(C3(O)CCOCC3)cc2)CC1,MIMXGDDNUFAEEV-UHFFFAOYSA-N
-rxn:5:190194:227906:225880,CCC(C)c1ncccc1-c1cccc(CN2CCC(OC)CC2)c1-c1cc(C2CCOCC2)ncc1F,BBJVZKNBUGDXQY-UHFFFAOYSA-N
-rxn:5:190194:227907:223062,CCC(C)c1cncc(-c2cccc(CN3CCC(OC)CC3)c2-c2cnc(C3CCNCC3)cc2F)c1,FKZKPEBOBFEJHP-UHFFFAOYSA-N
-rxn:5:190194:227907:226654,CCC(C)c1cncc(-c2cccc(CN3CCC(OC)CC3)c2-c2csc(N3CCC(C)CC3)n2)c1,GLQDLDSGBYBRFZ-UHFFFAOYSA-N
-rxn:5:190194:228071:223010,COC1CCN(Cc2cccc(-c3cccc4c3OCCO4)c2-c2ccc(C3(O)CCOCC3)cc2)CC1,GFGRLPNUICAEEK-UHFFFAOYSA-N
-rxn:5:190194:228107:222989,CCC(C)c1ncncc1-c1cccc(CN2CCC(OC)CC2)c1-c1ccc(N2CCNCC2)cc1C,MHDUUSMUPUSFLV-UHFFFAOYSA-N
-rxn:5:190194:228107:225454,CCC(C)c1ncncc1-c1cccc(CN2CCC(OC)CC2)c1-c1ccc(C2=CCN(C)CC2)cc1,CZZBZCAYXFKTHW-UHFFFAOYSA-N
-rxn:5:190194:228562:225655,CCC(C)c1csc(-c2cccc(CN3CCC(OC)CC3)c2-c2cncc(N3CCC(C)CC3)c2)c1,BKRMATAYMLPHGY-UHFFFAOYSA-N
-rxn:5:190195:223113:223056,CN(Cc1ccc(-c2ccc3c(c2)C(C)(C)C(=O)N3)c(-c2ccc(N3CCC(O)CC3)nc2)c1)C1CCOCC1,KXWTUPGPRAGYNU-UHFFFAOYSA-N
-rxn:5:190195:225978:223113,CN(Cc1ccc(-c2ccc(N3CCOCC3)nc2F)c(-c2ccc3c(c2)C(C)(C)C(=O)N3)c1)C1CCOCC1,BRQYZHKOVRRHER-UHFFFAOYSA-N
-rxn:5:190195:227337:226046,CC(C)Oc1ccc(F)cc1-c1ccc(CN(C)C2CCOCC2)cc1-c1ccnc(C(F)(F)C(F)(F)F)c1,ZCAYGVZVPXPLED-UHFFFAOYSA-N
-rxn:5:190196:223056:222417,CC(C)c1[nH]c(=O)ncc1-c1cc(-c2ccc(N3CCC(O)CC3)nc2)ccc1CN(C)C1CCOCC1,OMHQTQBVYJUVRP-UHFFFAOYSA-N
-rxn:5:190196:226571:222417,CC(C)c1[nH]c(=O)ncc1-c1cc(-c2cnn(CC3CCOCC3)c2)ccc1CN(C)C1CCOCC1,FQSOKPZQLIPNHZ-UHFFFAOYSA-N
-rxn:5:190197:222417:223065,CC(C)c1[nH]c(=O)ncc1-c1cc(-c2ccc(N3CCNCC3)cc2F)ccc1CN(C)C1CCOCC1,YZOKIHIARKKQNZ-UHFFFAOYSA-N
-rxn:5:190199:225440:225886,CN(Cc1cc(-c2ccc3c(ccn3S(C)(=O)=O)c2)ccc1-c1ccc(C2(C#N)CCCC2)cc1)C1CCOCC1,FSZVNNTVVJHPPO-UHFFFAOYSA-N
-rxn:5:190201:222417:223065,CC1CN(CCc2cc(-c3cnc(=O)[nH]c3C(C)C)ccc2-c2ccc(N3CCNCC3)cc2F)CCO1,GIFKDMHNYPPGGV-UHFFFAOYSA-N
-rxn:5:190231:226645:227316,COc1c(-c2cc(F)nc(CC(C)C)c2)cc(C(=O)N2CCOC(C)C2)cc1-c1ccnc(N2CCOCC2)c1,CIBDGHOROHPANM-UHFFFAOYSA-N
-rxn:5:190265:225602:225886,CC1CCCN(C(=O)Cc2ccc(-c3ccc4c(ccn4S(C)(=O)=O)c3)c(-c3cc(C4(C#N)CCC4)ccc3F)c2)C1,PBZKFJSZPAQZOO-UHFFFAOYSA-N
-rxn:5:190265:227065:227045,CC1CCCN(C(=O)Cc2ccc(-c3cccc(SC(C)(C)C)c3)c(-c3cccc(C(=O)C(C)C)c3)c2)C1,XQJHFWMGRUXNNY-UHFFFAOYSA-N
-rxn:5:190265:227926:223189,CC1CCCN(C(=O)Cc2ccc(-c3ccc(NS(C)(=O)=O)cc3F)c(-c3ccc(SC(C)C)cc3)c2)C1,QPVAOTWEXZKJIR-UHFFFAOYSA-N
-rxn:5:190299:223138:227554,COC(=O)c1c(F)cccc1-c1ccc(N2C(=O)SC(=Cc3cc(-c4ccnc(C5CCNCC5)c4)ccc3OC)C2=O)cc1,WWEMTCDCOGNBAR-UHFFFAOYSA-N
-rxn:5:190307:223203:225447,CC1CCN(CCc2cc(-c3cccc(C4(O)CCC4)c3)ccc2-c2ccc(OC3CCCCC3)cc2)CC1,LENYZWSZXIHSJC-UHFFFAOYSA-N
-rxn:5:190335:226916:227935,CCc1cc(-c2cc(C(=O)N3CCCCC3C)cc(-c3cccc(C4=CCCC4)c3)c2OC)ccc1OC,IQCWMPJBXBJTLL-UHFFFAOYSA-N
-rxn:5:190336:226319:227904,CCN(C)c1ccc(-c2cc(C(=O)N3CCCC(C)C3)cc(-c3ccc(C(=O)N4CCC4)cc3)c2OC)cc1,JCAOTFZZZMHBOV-UHFFFAOYSA-N
-rxn:5:190337:226735:222981,COc1c(-c2cc(C#N)cc(C(F)(F)F)c2)cc(C(=O)N2CCC(C)CC2)cc1-c1ccnc(NC2CCCCC2)c1,ICHHILRCYPHOJZ-UHFFFAOYSA-N
-rxn:5:190459:225439:223286,CC(c1cccc(-c2ccccc2C(=O)N2CCSC(c3ccccc3-c3cccc(NS(C)(=O)=O)c3)CC2)c1)N1CCCC1,WBGBEMWLFOCBSU-UHFFFAOYSA-N
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-rxn:5:190484:223138:227501,O=C(c1cccc(-c2ccnc(C3CCNCC3)c2)c1)N1CCC(c2ccccc2-c2ccc(C=C[N+](=O)[O-])cc2)S(=O)(=O)CC1,YHBVYPNRXHCEKO-UHFFFAOYSA-N
-rxn:5:190484:227103:227830,CC1(c2ccc(-c3ccccc3C3CCN(C(=O)c4cccc(-c5sccc5C5CCCCC5)c4)CCS3(=O)=O)cc2)CC1,MXEALZUZWIVQHK-UHFFFAOYSA-N
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-rxn:5:190740:225982:223056,CCOC(=O)c1cnc2c(C)cc(-c3cnc(N4CCOCC4)cc3F)cc2c1-c1ccc(N2CCC(O)CC2)nc1,QKTMFPOSHVQQQP-UHFFFAOYSA-N
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-rxn:5:190741:225656:225674,CCOC(=O)c1cnc2c(-c3cncc(N4CCCCC4C)c3)cc(C)cc2c1-c1cnc(C2CCCCC2)cc1F,MMKLGNMYKHXGLW-UHFFFAOYSA-N
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-rxn:5:190741:225677:225636,CCOC(=O)c1cnc2c(-c3ccc(C4CCCCC4)nc3F)cc(C)cc2c1-c1ccnc(N2CCC(C)CC2)c1,XZXNIAOUWFBBIC-UHFFFAOYSA-N
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-rxn:5:190741:225849:222995,CCOC(=O)c1cnc2c(-c3cnc(N4CCCCC4)cc3F)cc(C)cc2c1-c1cccc(N2CCCC(O)C2)c1,LRFPONHVYZFTEI-UHFFFAOYSA-N
-rxn:5:190741:225976:225833,CCOC(=O)c1cnc2c(-c3ccnc(N4CCOCC4)c3F)cc(C)cc2c1-c1ccnc(N2CCCCC2)c1F,UXDOJYRRZWJVOF-UHFFFAOYSA-N
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-rxn:5:190742:223006:225976,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(F)c(C4CCNCC4)c3)c2c1-c1ccnc(N2CCOCC2)c1F,WIVVCMOFJQSKHZ-UHFFFAOYSA-N
-rxn:5:190742:223061:225834,CCOC(=O)c1cnc2c(C)ccc(-c3cc(C4CCNCC4)ncc3F)c2c1-c1cc(N2CCCCC2)ncc1F,GQXRXNSHSHVWGZ-UHFFFAOYSA-N
-rxn:5:190742:225590:225636,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(CN4CCCC4)c(F)c3)c2c1-c1ccnc(N2CCC(C)CC2)c1,NBFBVXWQBVHEMV-UHFFFAOYSA-N
-rxn:5:190742:225636:225590,CCOC(=O)c1cnc2c(C)ccc(-c3ccnc(N4CCC(C)CC4)c3)c2c1-c1ccc(CN2CCCC2)c(F)c1,OPSGJRHZNMSYMI-UHFFFAOYSA-N
-rxn:5:190742:225666:225654,CCOC(=O)c1cnc2c(C)ccc(-c3cc(F)cc(N4CCCCC4)c3)c2c1-c1ccc(N2CCCC(C)C2)nc1,NEFFWCUQTZJODW-UHFFFAOYSA-N
-rxn:5:190742:225679:225652,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(N4CCCCC4)cc3F)c2c1-c1cncc(N2CCCC(C)C2)c1,MJKZJHYWBDXNBT-UHFFFAOYSA-N
-rxn:5:190742:225849:222995,CCOC(=O)c1cnc2c(C)ccc(-c3cnc(N4CCCCC4)cc3F)c2c1-c1cccc(N2CCCC(O)C2)c1,CTRQHOMPUJZJFU-UHFFFAOYSA-N
-rxn:5:190742:225978:223006,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(N4CCOCC4)nc3F)c2c1-c1ccc(F)c(C2CCNCC2)c1,WUQYWSNGHCJDHW-UHFFFAOYSA-N
-rxn:5:190742:226571:225784,CCOC(=O)c1cnc2c(C)ccc(-c3cnn(CC4CCOCC4)c3)c2c1-c1ccc(CN2CCOCC2)nc1,LEOJYIURTUVADO-UHFFFAOYSA-N
-rxn:5:190743:222991:225849,CCOC(=O)c1cnc2c(C)c(-c3ccc(N4CCCC(O)C4)cc3)ccc2c1-c1cnc(N2CCCCC2)cc1F,AZKYACDWQXBIJA-UHFFFAOYSA-N
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-rxn:5:190743:223062:225439,CCOC(=O)c1cnc2c(C)c(-c3cnc(C4CCNCC4)cc3F)ccc2c1-c1cccc(C(C)N2CCCC2)c1,WCQQFJSHEZXATD-UHFFFAOYSA-N
-rxn:5:190743:223063:225440,CCOC(=O)c1cnc2c(C)c(-c3cc(F)nc(C4CCNCC4)c3)ccc2c1-c1ccc(C2(C#N)CCCC2)cc1,GPVYAHUZSYEFCR-UHFFFAOYSA-N
-rxn:5:190743:225591:225636,CCOC(=O)c1cnc2c(C)c(-c3cc(CN4CCCC4)ccc3F)ccc2c1-c1ccnc(N2CCC(C)CC2)c1,MXCDRVJTZGNGQJ-UHFFFAOYSA-N
-rxn:5:190743:225654:225671,CCOC(=O)c1cnc2c(C)c(-c3ccc(N4CCCC(C)C4)nc3)ccc2c1-c1cc(C2CCCCC2)ncc1F,BGRGQDUHKREKNM-UHFFFAOYSA-N
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-rxn:5:190743:225674:225462,CCOC(=O)c1cnc2c(C)c(-c3cnc(C4CCCCC4)cc3F)ccc2c1-c1cccc(N2CCC(C)CC2)c1,JPDZTCAVMPMCCP-UHFFFAOYSA-N
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-rxn:5:190743:225679:225656,CCOC(=O)c1cnc2c(C)c(-c3ccc(N4CCCCC4)cc3F)ccc2c1-c1cncc(N2CCCCC2C)c1,JIZINSYEZJZUHR-UHFFFAOYSA-N
-rxn:5:190743:225833:225454,CCOC(=O)c1cnc2c(C)c(-c3ccnc(N4CCCCC4)c3F)ccc2c1-c1ccc(C2=CCN(C)CC2)cc1,ZDBINJUCORRRLK-UHFFFAOYSA-N
-rxn:5:190743:225833:225462,CCOC(=O)c1cnc2c(C)c(-c3ccnc(N4CCCCC4)c3F)ccc2c1-c1cccc(N2CCC(C)CC2)c1,HQWYMQPCTWUKNE-UHFFFAOYSA-N
-rxn:5:190743:225833:225469,CCOC(=O)c1cnc2c(C)c(-c3ccnc(N4CCCCC4)c3F)ccc2c1-c1ccc(N2CCCC(C)C2)cc1,VQXPNRWGUXWWHA-UHFFFAOYSA-N
-rxn:5:190743:225834:222992,CCOC(=O)c1cnc2c(C)c(-c3cc(N4CCCCC4)ncc3F)ccc2c1-c1ccc(N2CCCCC2O)cc1,SCLQXCZQWFOJNM-UHFFFAOYSA-N
-rxn:5:190743:225834:222993,CCOC(=O)c1cnc2c(C)c(-c3cc(N4CCCCC4)ncc3F)ccc2c1-c1cccc(N2CCCCC2O)c1,WVCAFXRJMXYDEF-UHFFFAOYSA-N
-rxn:5:190743:225849:222992,CCOC(=O)c1cnc2c(C)c(-c3cnc(N4CCCCC4)cc3F)ccc2c1-c1ccc(N2CCCCC2O)cc1,XOXFTDUTYMWOOM-UHFFFAOYSA-N
-rxn:5:190743:225849:222993,CCOC(=O)c1cnc2c(C)c(-c3cnc(N4CCCCC4)cc3F)ccc2c1-c1cccc(N2CCCCC2O)c1,VHTHNZFTWNNNCU-UHFFFAOYSA-N
-rxn:5:190743:225849:225462,CCOC(=O)c1cnc2c(C)c(-c3cnc(N4CCCCC4)cc3F)ccc2c1-c1cccc(N2CCC(C)CC2)c1,RKXRQFPEJJVYKZ-UHFFFAOYSA-N
-rxn:5:190743:225849:225469,CCOC(=O)c1cnc2c(C)c(-c3cnc(N4CCCCC4)cc3F)ccc2c1-c1ccc(N2CCCC(C)C2)cc1,WFMNGLLPTIOGKV-UHFFFAOYSA-N
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-rxn:5:190744:225638:225833,CCOC(=O)c1cnc2c(-c3ccc(N4CCC(C)CC4)nc3)c(C)ccc2c1-c1ccnc(N2CCCCC2)c1F,IQPFAGLUNSIFRS-UHFFFAOYSA-N
-rxn:5:190744:225640:225849,CCOC(=O)c1cnc2c(-c3ccnc(N4CCCCC4C)c3)c(C)ccc2c1-c1cnc(N2CCCCC2)cc1F,WBFHLXQNYRKIEC-UHFFFAOYSA-N
-rxn:5:190744:225654:225674,CCOC(=O)c1cnc2c(-c3ccc(N4CCCC(C)C4)nc3)c(C)ccc2c1-c1cnc(C2CCCCC2)cc1F,QVTOFCMMDNBEFG-UHFFFAOYSA-N
-rxn:5:190744:225655:225834,CCOC(=O)c1cnc2c(-c3cncc(N4CCC(C)CC4)c3)c(C)ccc2c1-c1cc(N2CCCCC2)ncc1F,PFONCDQEFJWWQA-UHFFFAOYSA-N
-rxn:5:190744:225666:225639,CCOC(=O)c1cnc2c(-c3cc(F)cc(N4CCCCC4)c3)c(C)ccc2c1-c1cccnc1N1CCC(C)CC1,LLRXSFLAIUMTQQ-UHFFFAOYSA-N
-rxn:5:190744:225671:225639,CCOC(=O)c1cnc2c(-c3cc(C4CCCCC4)ncc3F)c(C)ccc2c1-c1cccnc1N1CCC(C)CC1,NROQUAKSQLQSGZ-UHFFFAOYSA-N
-rxn:5:190744:225671:225655,CCOC(=O)c1cnc2c(-c3cc(C4CCCCC4)ncc3F)c(C)ccc2c1-c1cncc(N2CCC(C)CC2)c1,KIVZFQGEBWCOIP-UHFFFAOYSA-N
-rxn:5:190744:225674:222994,CCOC(=O)c1cnc2c(-c3cnc(C4CCCCC4)cc3F)c(C)ccc2c1-c1cccc(N2CCC(O)CC2)c1,QVKVRJQFJVKYQB-UHFFFAOYSA-N
-rxn:5:190744:225679:225639,CCOC(=O)c1cnc2c(-c3ccc(N4CCCCC4)cc3F)c(C)ccc2c1-c1cccnc1N1CCC(C)CC1,BUANXPOHFYVDKH-UHFFFAOYSA-N
-rxn:5:190744:225679:225654,CCOC(=O)c1cnc2c(-c3ccc(N4CCCCC4)cc3F)c(C)ccc2c1-c1ccc(N2CCCC(C)C2)nc1,YNGFMLUHRLTQDJ-UHFFFAOYSA-N
-rxn:5:190744:225833:225462,CCOC(=O)c1cnc2c(-c3ccnc(N4CCCCC4)c3F)c(C)ccc2c1-c1cccc(N2CCC(C)CC2)c1,UNPZFJWIMOXWHZ-UHFFFAOYSA-N
-rxn:5:190744:225849:225464,CCOC(=O)c1cnc2c(-c3cnc(N4CCCCC4)cc3F)c(C)ccc2c1-c1cccc(N2CCCC(C)C2)c1,RUEPHJCTVDOZGI-UHFFFAOYSA-N
-rxn:5:190744:225849:225666,CCOC(=O)c1cnc2c(-c3cnc(N4CCCCC4)cc3F)c(C)ccc2c1-c1cc(F)cc(N2CCCCC2)c1,CPHAMNJZCCEYNJ-UHFFFAOYSA-N
-rxn:5:190795:225453:226146,CC(C)(C)OC(=O)n1cc(-c2cccc(SC3CCCCC3)c2)c2ccc(-c3ccc(SC4CCCC4)cc3)cc21,XNPYRVLVUGTBIN-UHFFFAOYSA-N
-rxn:5:190832:225833:223141,CCOC(=O)c1cnc2cc(C)c(-c3ccnc(N4CCCCC4)c3F)c(C)c2c1-c1cncc(C2CCNCC2)c1,ASIOVWIEUIEGQU-UHFFFAOYSA-N
-rxn:5:190832:225849:225834,CCOC(=O)c1cnc2cc(C)c(-c3cnc(N4CCCCC4)cc3F)c(C)c2c1-c1cc(N2CCCCC2)ncc1F,NVTCTTAQGRLPJY-UHFFFAOYSA-N
-rxn:5:190859:226794:227379,CC(C)(C)OC(=O)N1CCc2c1ccc(-c1cnc(N3CCSCC3)nc1)c2-c1cccnc1N1CCCC1,BXGVBAKKZYIWQZ-UHFFFAOYSA-N
-rxn:5:190859:226794:228207,CC(C)(C)OC(=O)N1CCc2c1ccc(-c1cnc(N3CCSCC3)nc1)c2-c1cc(C2CC2)cnc1F,GAKRGQUSQFUVQM-UHFFFAOYSA-N
-rxn:5:190859:226794:228223,CC(C)(C)OC(=O)N1CCc2c1ccc(-c1cnc(N3CCSCC3)nc1)c2-c1ccc(C2CC2)nc1F,KTZLYWAHKFFSTM-UHFFFAOYSA-N
-rxn:5:190859:226794:228236,CC(C)(C)OC(=O)N1CCc2c1ccc(-c1cnc(N3CCSCC3)nc1)c2-c1ccnc(F)c1C1CC1,PKDMIXBZENEZEJ-UHFFFAOYSA-N
-rxn:5:190859:228292:225833,CC(C)(C)OC(=O)N1CCc2c1ccc(-c1ccnc3c1OCCO3)c2-c1ccnc(N2CCCCC2)c1F,HWVVWVASBYFZHO-UHFFFAOYSA-N
-rxn:5:190859:228620:225407,CSc1ccc(-c2ccc3c(c2-c2ccc(C4CCCCCC4)cc2)CCN3C(=O)OC(C)(C)C)cc1C,SENDOPOSGAYFGZ-UHFFFAOYSA-N
-rxn:5:190859:228701:225833,CC(C)(C)OC(=O)N1CCc2c1ccc(-c1cnc(C3CC3)nc1)c2-c1ccnc(N2CCCCC2)c1F,CKQRBEYPKTUOHB-UHFFFAOYSA-N
-rxn:5:190859:228876:226658,CC(C)(C)OC(=O)N1CCc2c1ccc(-c1cnn(C3CC3F)c1)c2-c1ccc(N2CCCC2)nc1F,LCBSJBSSEWRCFY-UHFFFAOYSA-N
-rxn:5:190859:229080:225849,CC(C)(C)OC(=O)N1CCc2c1ccc(-c1cnc(C3CC3)s1)c2-c1cnc(N2CCCCC2)cc1F,NUAUYWSWNFOYRW-UHFFFAOYSA-N
-rxn:5:191026:227076:227828,CCC(C)c1ccc(F)c(-c2ccc3c(c2)N(c2ccc(C)c(-c4cccc(C5CC5)c4C)c2)C=C(C(=O)OC)S3(=O)=O)c1,YRCJPNHAZPDRJG-UHFFFAOYSA-N
-rxn:5:191026:227076:227976,CCC(C)c1ccc(F)c(-c2ccc3c(c2)N(c2ccc(C)c(-c4ccc([Si](C)(C)C)cc4)c2)C=C(C(=O)OC)S3(=O)=O)c1,PXGPPCJNGMXWPE-UHFFFAOYSA-N
-rxn:5:191026:227815:228195,CCC(C)c1ccccc1-c1ccc2c(c1)N(c1ccc(C)c(-c3cn(C(C)(C)C)nc3C)c1)C=C(C(=O)OC)S2(=O)=O,WACHSYQGYLTBOX-UHFFFAOYSA-N
-rxn:5:191049:223061:226679,COc1cc(N2Cc3cc(-c4cc(C5CCNCC5)ncc4F)ccc3OCC2=O)c(OC)cc1-c1cnc(N2CCCC2)cc1F,UOCRGKUESZGPMP-UHFFFAOYSA-N
-rxn:5:191049:227831:226069,CCc1c(C)cc(-c2ccc3c(c2)CN(c2cc(OC)c(-c4cccc(C5CCCCC5)c4)cc2OC)C(=O)CO3)cc1C,BSXWOVBTSDVPQX-UHFFFAOYSA-N
-rxn:5:191049:227922:226064,CCc1cc(OC)ccc1-c1ccc2c(c1)CN(c1cc(OC)c(-c3ccc(C4CCCCC4)cc3)cc1OC)C(=O)CO2,ATIJRASEBQQTHN-UHFFFAOYSA-N
-rxn:5:191049:227942:226069,CCc1ccc(-c2ccc3c(c2)CN(c2cc(OC)c(-c4cccc(C5CCCCC5)c4)cc2OC)C(=O)CO3)c(OC)c1,JVKIOEQSQYNNSM-UHFFFAOYSA-N
-rxn:5:191049:228000:226069,COc1cc(C)c(C)cc1-c1ccc2c(c1)CN(c1cc(OC)c(-c3cccc(C4CCCCC4)c3)cc1OC)C(=O)CO2,FAGURZZVFSMXHU-UHFFFAOYSA-N
-rxn:5:191049:228107:225652,CCC(C)c1ncncc1-c1ccc2c(c1)CN(c1cc(OC)c(-c3cncc(N4CCCC(C)C4)c3)cc1OC)C(=O)CO2,XTGVZSOBXKRHRZ-UHFFFAOYSA-N
-rxn:5:192236:223135:223054,COc1cc(-c2ccc(C(C)N3CCC(O)C3)s2)c(S(N)(=O)=O)cc1-c1cccnc1C1CCCNC1,VTXQMIMPYOYLGU-UHFFFAOYSA-N
-rxn:5:193226:223064:223056,O=C(c1ccc(-c2ccc(C3CCNCC3)nc2F)c(-c2ccc(N3CCC(O)CC3)nc2)c1)N1CCOCC1,YRRNOYHPZWZPEB-UHFFFAOYSA-N
-rxn:5:193226:223065:223006,O=C(c1ccc(-c2ccc(N3CCNCC3)cc2F)c(-c2ccc(F)c(C3CCNCC3)c2)c1)N1CCOCC1,BMFOZZQODDSGHK-UHFFFAOYSA-N
-rxn:5:193226:226583:223061,O=C(c1ccc(-c2ccc(CN3CCOCC3)s2)c(-c2cc(C3CCNCC3)ncc2F)c1)N1CCOCC1,FAUTWYXWLLHEKC-UHFFFAOYSA-N
-rxn:5:193226:227387:223061,O=C(c1ccc(-c2ccnc(N3CCCC3)c2)c(-c2cc(C3CCNCC3)ncc2F)c1)N1CCOCC1,TXGOXGNYTRBBQV-UHFFFAOYSA-N
-rxn:5:193229:225849:226395,O=C(c1cccc(-c2cnc(N3CCCCC3)cc2F)c1-c1cncc(N2CCCCC2)c1)N1CCOCC1,QHWHXOUNZVGIFD-UHFFFAOYSA-N
-rxn:5:193230:223061:225980,O=C(c1ccc(-c2cc(C3CCNCC3)ncc2F)cc1-c1cc(N2CCOCC2)ncc1F)N1CCOCC1,DBALNOUTNUERIL-UHFFFAOYSA-N
-rxn:5:193230:223141:226395,O=C(c1ccc(-c2cncc(C3CCNCC3)c2)cc1-c1cncc(N2CCCCC2)c1)N1CCOCC1,MYAOAKNADVOZBX-UHFFFAOYSA-N
-rxn:5:193231:225976:227490,CC(C)(C)Oc1ncc(-c2cc(-c3ccnc(N4CCOCC4)c3F)ccc2C(=O)N2CCSCC2)cn1,MHSLRDRJLPQQLJ-UHFFFAOYSA-N
-rxn:5:193333:226686:226685,Cc1cnn(C2CCCCO2)c1-c1ccc(CN2CCOCC2)cc1-c1cnc(C2CCOCC2)nc1,ONPXANROTOESRZ-UHFFFAOYSA-N
-rxn:5:193382:222957:225661,Cc1cc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3ccc(N4CCOCC4)cc3C)c2)cc(C2CCCNC2)c1,MWXAYVUTFBJDEB-UHFFFAOYSA-N
-rxn:5:193382:222959:225874,Cc1cc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3ccc(F)c(N4CCOCC4)c3)c2)ccc1C1CCNCC1,JOJXFLMDMLNYAQ-UHFFFAOYSA-N
-rxn:5:193382:222960:226366,Cc1cc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3ccnc(N4CCCCC4)c3)c2)cc(C2CCNCC2)c1,LHYBIEWYDNFFJY-UHFFFAOYSA-N
-rxn:5:193382:222987:223004,Cc1nc(C2CCNCC2)ccc1-c1ccc(S(=O)(=O)N2CCOCC2)c(-c2ccc(C3CCNCC3)c(F)c2)c1,GDGKUJQZIFNZKX-UHFFFAOYSA-N
-rxn:5:193382:222987:223134,Cc1nc(C2CCNCC2)ccc1-c1ccc(S(=O)(=O)N2CCOCC2)c(-c2cnccc2C2CCCNC2)c1,RFWUTMPYBGUIDD-UHFFFAOYSA-N
-rxn:5:193382:223141:227432,Cc1nc(C2COC2)ccc1-c1cc(-c2cncc(C3CCNCC3)c2)ccc1S(=O)(=O)N1CCOCC1,PXIBAWNYUOYZDM-UHFFFAOYSA-N
-rxn:5:193382:223142:223004,O=S(=O)(c1ccc(-c2ccc(C3CCCNC3)nc2)cc1-c1ccc(C2CCNCC2)c(F)c1)N1CCOCC1,AZGCVIGAAFTLNL-UHFFFAOYSA-N
-rxn:5:193382:223201:226446,Cc1nc(C2CCOC2)ccc1-c1cc(-c2ccccc2C2CCNC2)ccc1S(=O)(=O)N1CCOCC1,UETCYOMSFYZBLC-UHFFFAOYSA-N
-rxn:5:193382:223241:222958,Cc1ccc(-c2cc(-c3cncc(C4CCNC4)c3)ccc2S(=O)(=O)N2CCOCC2)cc1C1CCNCC1,QSAZYLLYIBDMSL-UHFFFAOYSA-N
-rxn:5:193382:223312:223054,CC(c1ccc(-c2cc(-c3ccc(C4CNC4)cc3)ccc2S(=O)(=O)N2CCOCC2)s1)N1CCC(O)C1,UBHGTPQLEOLYOL-UHFFFAOYSA-N
-rxn:5:193382:225640:222956,Cc1ccc(-c2cc(-c3ccnc(N4CCCCC4C)c3)ccc2S(=O)(=O)N2CCOCC2)c(C2CCCNC2)c1,JGLGAFKPMKSWKC-UHFFFAOYSA-N
-rxn:5:193382:225661:223240,Cc1cc(N2CCOCC2)ccc1-c1ccc(S(=O)(=O)N2CCOCC2)c(-c2ccc(C3CCNC3)nc2)c1,XEDDEXVZRCSUCE-UHFFFAOYSA-N
-rxn:5:193382:225683:222959,Cc1cc(-c2cc(-c3ccc(C4CCCOC4)nc3C)ccc2S(=O)(=O)N2CCOCC2)ccc1C1CCNCC1,RUMFAIUZTVCZIP-UHFFFAOYSA-N
-rxn:5:193382:225805:227438,CC(c1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3ccnc(C4CCOC4)c3)c2)s1)N1CCOCC1,VAHZECZMDTVRBX-UHFFFAOYSA-N
-rxn:5:193382:225874:223135,O=S(=O)(c1ccc(-c2ccc(F)c(N3CCOCC3)c2)cc1-c1cccnc1C1CCCNC1)N1CCOCC1,XLMDCSJSTWAHPC-UHFFFAOYSA-N
-rxn:5:193382:225925:226366,Cc1ccc(S(=O)(=O)N(C)C)cc1-c1ccc(S(=O)(=O)N2CCOCC2)c(-c2ccnc(N3CCCCC3)c2)c1,ROQJEKYQRAQEJU-UHFFFAOYSA-N
-rxn:5:193382:226644:222987,Cc1nc(C2CCNCC2)ccc1-c1cc(-c2cncc(N3CCOCC3)c2)ccc1S(=O)(=O)N1CCOCC1,XKFBYLARVBAYSN-UHFFFAOYSA-N
-rxn:5:193382:227086:225831,Cc1cc(-c2cc(-c3ccnc(C4CCCC4)c3)ccc2S(=O)(=O)N2CCOCC2)cnc1N1CCOCC1,ZDLMJEAEMPQHLJ-UHFFFAOYSA-N
-rxn:5:193382:227626:227803,CN(C)S(=O)(=O)n1nccc1-c1cc(-c2cnc(C3CCOC3)nc2)ccc1S(=O)(=O)N1CCOCC1,DWEWKPPHEWUTRU-UHFFFAOYSA-N
-rxn:5:193382:227657:226662,CN1CCN(c2ccc(-c3cc(-c4ccc(N5CCOCC5)s4)ccc3S(=O)(=O)N3CCOCC3)s2)CC1,PMIXEVAMKIYBCL-UHFFFAOYSA-N
-rxn:5:193382:227684:227710,CS(=O)(=O)Oc1ccc(-c2cc(-c3cnn(CC4OCCO4)c3)ccc2S(=O)(=O)N2CCOCC2)cc1,BRVWUVKCTVGZGW-UHFFFAOYSA-N
-rxn:5:193460:226059:223189,CC(C)c1ccc(-c2cccc(C(=O)N3CCCCC3)c2-c2ccc(NS(C)(=O)=O)cc2F)c(C(C)C)c1,SCCNXLIHNQQBMB-UHFFFAOYSA-N
-rxn:5:193460:226762:223189,CSc1cc(-c2cccc(C(=O)N3CCCCC3)c2-c2ccc(NS(C)(=O)=O)cc2F)cc(C(F)(F)F)c1,QAUNRKXGQCEYQI-UHFFFAOYSA-N
-rxn:5:193461:227045:225453,CC(C)(C)Sc1cccc(-c2ccc(C(=O)N3CCCCC3)c(-c3cccc(SC4CCCCC4)c3)c2)c1,VLKZKYUHCJTRGO-UHFFFAOYSA-N
-rxn:5:193463:226452:226320,N#CC1(c2ccc(F)c(-c3cc(-c4ccc(C5OCCCO5)cc4)ccc3CN3CCC(=O)CC3)c2)CC1,GPMOLZLYPGMRSE-UHFFFAOYSA-N
-rxn:5:193464:227348:225407,COc1ccc(-c2ccc(C3(C#N)CCCCC3)c(-c3ccc(C4CCCCCC4)cc3)c2)c(C)c1OC,MMGOWIZJODBQQF-UHFFFAOYSA-N
-rxn:5:193464:227592:225407,COc1cc(F)cc(-c2ccc(C3(C#N)CCCCC3)c(-c3ccc(C4CCCCCC4)cc3)c2)c1OC,OKUBHZXTKJQIMO-UHFFFAOYSA-N
-rxn:5:193506:222984:227589,Cc1cc(OC(F)F)cc(-c2cc(-c3ccc(CN4CCC(O)C4)cc3)ccc2S(=O)(=O)N2CCC(=O)CC2)c1,VWNZMVZVRQYJFG-UHFFFAOYSA-N
-rxn:5:193506:223135:223289,CNS(=O)(=O)c1ccccc1-c1cc(-c2cccnc2C2CCCNC2)ccc1S(=O)(=O)N1CCC(=O)CC1,XADATVXTWMOKHR-UHFFFAOYSA-N
-rxn:5:193506:223147:226330,CC(c1ccc(-c2cc(-c3ccc(C4CNCCO4)cc3)ccc2S(=O)(=O)N2CCC(=O)CC2)s1)N1CCCC1,OIRZXXXACAEENH-UHFFFAOYSA-N
-rxn:5:193506:223242:227501,O=C1CCN(S(=O)(=O)c2ccc(-c3ccnc(C4CCNC4)c3)cc2-c2ccc(C=C[N+](=O)[O-])cc2)CC1,UQSMTXKLBOLANB-UHFFFAOYSA-N
-rxn:5:193506:226661:223054,CC(c1ccc(-c2cc(-c3cc(N4CCN(C)CC4)cs3)ccc2S(=O)(=O)N2CCC(=O)CC2)s1)N1CCC(O)C1,KWHIXCGNHUWGCO-UHFFFAOYSA-N
-rxn:5:193506:227438:223287,CNS(=O)(=O)c1ccc(-c2cc(-c3ccnc(C4CCOC4)c3)ccc2S(=O)(=O)N2CCC(=O)CC2)cc1,XZXKXNJQIJKRNM-UHFFFAOYSA-N
-rxn:5:193539:226686:226685,Cc1cnn(C2CCCCO2)c1-c1ccc(CN2CCCCC2)cc1-c1cnc(C2CCOCC2)nc1,YXTMOMXGUMLDFW-UHFFFAOYSA-N
-rxn:5:193540:226190:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2ccc(C3CCCC3)cc2F)ccc1CN1CCCCC1,DYQSMBIVBVZUMW-UHFFFAOYSA-N
-rxn:5:193541:226686:227611,Cc1cnn(C2CCCCO2)c1-c1cc(CN2CCCCC2)cc(-c2ccnn2C2CCCCO2)c1,VPLPYDXXVYAZGL-UHFFFAOYSA-N
-rxn:5:193542:223135:226686,Cc1cnn(C2CCCCO2)c1-c1c(CN2CCCCC2)cccc1-c1cccnc1C1CCCNC1,LEWJPQOTVNVWFE-UHFFFAOYSA-N
-rxn:5:193748:223189:226768,CSc1ccc(-c2ccc(-c3ccc(NS(C)(=O)=O)cc3F)cc2C(=O)N2CCCC(C)C2)cc1C(F)(F)F,PHQSEHXGJFOJDT-UHFFFAOYSA-N
-rxn:5:193748:226346:223286,Cc1cc(OC(C)C)c(F)c(-c2ccc(-c3cccc(NS(C)(=O)=O)c3)c(C(=O)N3CCCC(C)C3)c2)c1,LINJWOARXKANNR-UHFFFAOYSA-N
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-rxn:5:193754:225394:225886,CC1CCN(C(=O)c2cccc(-c3cc(C4CCC4)cc(C4CC4)c3)c2-c2ccc3c(ccn3S(C)(=O)=O)c2)CC1,LQFDNWUAXYPFQT-UHFFFAOYSA-N
-rxn:5:193756:222981:225806,CC1CCCCN1C(=O)c1ccc(-c2ccnc(NC3CCCCC3)c2)cc1-c1cnc(OC2CCCC2)cc1F,SGLBJGVNZUCXNM-UHFFFAOYSA-N
-rxn:5:193756:225613:223136,CC1CCCCN1C(=O)c1ccc(-c2ccnc(OC3CCCCC3)c2)cc1-c1ccncc1C1CCCNC1,KGHLWVVZEURRMF-UHFFFAOYSA-N
-rxn:5:193756:225652:228339,COC(=O)c1cnccc1-c1cc(-c2cncc(N3CCCC(C)C3)c2)ccc1C(=O)N1CCCCC1C,JGTFOQMOULRLNM-UHFFFAOYSA-N
-rxn:5:193756:225808:226366,CC1CCCCN1C(=O)c1ccc(-c2cc(OC3CCCC3)ncc2F)cc1-c1ccnc(N2CCCCC2)c1,NVAUCSIHZSJXNS-UHFFFAOYSA-N
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-rxn:5:193756:226745:225605,CCc1ncc(C(F)(F)F)cc1-c1ccc(C(=O)N2CCCCC2C)c(-c2cc(C)cnc2OC2CCCC2)c1,YKHXQLCBSAYWIP-UHFFFAOYSA-N
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-rxn:5:193809:227348:225499,COc1ccc(-c2ccc(CN3CCC(C)CC3)c(-c3ccc(C4CCCCC4)cc3F)c2)c(C)c1OC,HXJKOJOOZWMBRH-UHFFFAOYSA-N
-rxn:5:193809:227377:226686,Cc1cnn(C2CCCCO2)c1-c1cc(-c2cncnc2C2CCCC2)ccc1CN1CCC(C)CC1,BSTQKJGAIVPJJC-UHFFFAOYSA-N
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-rxn:5:193932:225886:226064,CC1CC(C)CN(C(=O)c2ccc(-c3ccc(C4CCCCC4)cc3)c(-c3ccc4c(ccn4S(C)(=O)=O)c3)c2)C1,XERQZGIXJXQRCJ-UHFFFAOYSA-N
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-rxn:5:193972:226794:228588,CC#Cc1cc(-c2cc(S(=O)(=O)N3CCCCCC3)c(-c3cnc(N4CCSCC4)nc3)cc2C)ccn1,KSXIMJWUULSXDX-UHFFFAOYSA-N
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-rxn:5:193972:227052:227827,Cc1ccc(C2CC2)cc1-c1cc(S(=O)(=O)N2CCCCCC2)c(-c2ccc(SC(C)(C)C)cc2)cc1C,ZVPZBINGFLKMFD-UHFFFAOYSA-N
-rxn:5:193972:227626:222420,Cc1cc(-c2cnc(C3CCOC3)nc2)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccccc1S(N)(=O)=O,QDNYNCQVJFHFNZ-UHFFFAOYSA-N
-rxn:5:193972:227716:226973,Cc1cc(-c2cccc(F)c2OC(F)F)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc2c(c1)C(C)(C)CO2,VKVXIDUIZHNWLL-UHFFFAOYSA-N
-rxn:5:193972:227834:227052,Cc1cc(-c2ccc(C3CC3)c(C)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc(SC(C)(C)C)cc1,WVNSNDYPONCOMV-UHFFFAOYSA-N
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-rxn:5:194058:225832:223065,Cc1nn(C2CCCCO2)c(C)c1-c1cc2c(OS(=O)(=O)[O-])c[nH]c2cc1-c1ccc(N2CCNCC2)cc1F,AVDIRCQDFOXPDE-UHFFFAOYSA-M
-rxn:5:194058:225976:225805,CC(c1ccc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2ccnc(N3CCOCC3)c2F)s1)N1CCOCC1,YKKGXKUZCXVZDD-UHFFFAOYSA-M
-rxn:5:194561:225980:227029,CC(C)(C#N)c1ccccc1-c1ccc(-c2cc(N3CCOCC3)ncc2F)cc1C(=O)N1C2CCC1COC2,KZEUDGAFPVVDCD-UHFFFAOYSA-N
-rxn:5:194733:227528:226135,COC(=O)c1ccc(-c2ccc(-c3cc(C4CC4)c(C#N)cc3C)c(C(=O)N3C4CCC3CC(=C3CC3)C4)c2)cc1F,XPLPFDMKXOLWHA-UHFFFAOYSA-N
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-rxn:5:194767:226679:223064,O=C1OC2(CCCN(C(=O)c3cc(-c4cnc(N5CCCC5)cc4F)ccc3-c3ccc(C4CCNCC4)nc3F)C2)c2ccccc21,ANHGVHIQTNMVJD-UHFFFAOYSA-N
-rxn:5:194767:228455:227579,CCOc1c(F)cc(-c2ccc(-c3cnc(OC)nc3OC)cc2C(=O)N2CCCC3(C2)OC(=O)c2ccccc23)cc1F,CYOPXVUIPQTVSC-UHFFFAOYSA-N
-rxn:5:194782:228207:227869,CC1Cc2cc(-c3ccc(-c4cc(C5CC5)cnc4F)cc3C(=O)N3CCC4(CC3)CC(=O)c3ccccc3O4)ccc2O1,LWQPIQPLJFBYMI-UHFFFAOYSA-N
-rxn:5:194791:226767:222956,COc1ccc(C(F)(F)F)c(-c2ccccc2N2C(=O)C3C(c4ccc(-c5ccc(C)cc5C5CCCNC5)cc4)OC4(C(=O)c5ccccc5C4=O)C3C2=O)c1,JPTFTXCTXSSZOB-UHFFFAOYSA-N
-rxn:5:194792:223307:228871,COC(=O)c1ccsc1-c1ccc(N2C(=O)C3C(c4ccc(-c5ccc6c(c5)CCNC6)cc4)OC4(C(=O)c5ccccc5C4=O)C3C2=O)cc1,WLILNFYDWGFATB-UHFFFAOYSA-N
-rxn:5:194792:226759:226957,COc1cc(-c2ccc(C3OC4(C(=O)c5ccccc5C4=O)C4C(=O)N(c5ccc(-c6cnc(C)c7ccccc67)cc5)C(=O)C34)cc2)cc(C(F)(F)F)c1,QUJUMHXBTYWZEJ-UHFFFAOYSA-N
-rxn:5:194792:227956:227115,Cc1cc(-c2ccc(C3OC4(C(=O)c5ccccc5C4=O)C4C(=O)N(c5ccc(-c6cc(C)c(C7CC7)cc6F)cc5)C(=O)C34)cc2)cc(C(C)C)n1,OMABCEVJLDHCIU-UHFFFAOYSA-N
-rxn:5:196188:226425:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(C2=NOCC2)c(-c2ccc(N3CCCCC3C)s2)c1,AQWYCABLOAZYBT-UHFFFAOYSA-N
-rxn:5:196198:225683:226131,Cc1nc(C2CCCOC2)ccc1-c1ccc(N2C(=O)C=CC2=O)cc1-c1ccccc1CN1CCCC1,PZHTVKPAUQCEBJ-UHFFFAOYSA-N
-rxn:5:196408:226139:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(C2=NOCCO2)c(-c2cc(C3CC3)cnc2C2CC2)c1,ACYNXYMUDJZZLQ-UHFFFAOYSA-N
-rxn:5:196789:223141:225849,O=C1COCCN1c1ccc(-c2cncc(C3CCNCC3)c2)cc1-c1cnc(N2CCCCC2)cc1F,BLIPHGSIUBMEGN-UHFFFAOYSA-N
-rxn:5:196794:225833:223141,O=C1COCCN1c1cc(-c2ccnc(N3CCCCC3)c2F)ccc1-c1cncc(C2CCNCC2)c1,OLKVBGYMCXAGMQ-UHFFFAOYSA-N
-rxn:5:196794:225849:225849,O=C1COCCN1c1cc(-c2cnc(N3CCCCC3)cc2F)ccc1-c1cnc(N2CCCCC2)cc1F,QRHSXOOPYDGDGI-UHFFFAOYSA-N
-rxn:5:196858:222958:225394,Cc1ccc(-c2cnc(C3CCOCC3)cc2-c2cc(C3CCC3)cc(C3CC3)c2)cc1C1CCNCC1,LFMNNOBNQLMBHC-UHFFFAOYSA-N
-rxn:5:196858:222959:225633,Cc1cc(-c2cnc(C3CCOCC3)cc2-c2ccc(N3CCCCCC3)nc2)ccc1C1CCNCC1,GHOLBPLYFKBMSP-UHFFFAOYSA-N
-rxn:5:196869:225439:226686,Cc1cnn(C2CCCCO2)c1-c1cc(-c2cccc(C(C)N3CCCC3)c2)ccc1N1CCOCC1,DCGSZNSVDUVNGD-UHFFFAOYSA-N
-rxn:5:196969:223148:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(C2CCCCC2)ncc1-c1ccccc1C1CNCCO1,ZOEQUAGOOJKGMU-UHFFFAOYSA-N
-rxn:5:196970:225832:226177,Cc1nn(C2CCCCO2)c(C)c1-c1c(C2CCCCC2)ccnc1-c1ccnc(C2CCCCC2)c1,MXVXQUACEBKBBS-UHFFFAOYSA-N
-rxn:5:196970:225832:226663,Cc1nn(C2CCCCO2)c(C)c1-c1c(C2CCCCC2)ccnc1-c1ccc(N2CCSCC2)nc1,KCHYEJUUAPAZSX-UHFFFAOYSA-N
-rxn:5:196971:225677:223061,Fc1cnc(C2CCNCC2)cc1-c1cc(-c2ccc(C3CCCCC3)nc2F)ncc1C1CCCCC1,PZIIXBAFCKBHEY-UHFFFAOYSA-N
-rxn:5:196971:226426:226686,Cc1cnn(C2CCCCO2)c1-c1cc(-c2ccc(N3CCC(C)CC3)s2)ncc1C1CCCCC1,AHJLWGWSQGMVTN-UHFFFAOYSA-N
-rxn:5:196977:223135:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(N2CCCCC2)ccc1-c1cccnc1C1CCCNC1,BKNYIAREYGUWBG-UHFFFAOYSA-N
-rxn:5:196977:225462:226686,Cc1cnn(C2CCCCO2)c1-c1cc(N2CCCCC2)ccc1-c1cccc(N2CCC(C)CC2)c1,PRGBANCRSNNOII-UHFFFAOYSA-N
-rxn:5:197876:225395:228182,CC(C)(C)c1cc(-c2cc3c(cc2-c2cccc(CC(F)F)c2)C(=O)N(C(C)(C)C)S3(=O)=O)cc(C2CC2)c1,HPCYRYRNLPEYOS-UHFFFAOYSA-N
-rxn:5:197876:225499:226912,Cc1cc(CC(C)C)cc(-c2cc3c(cc2-c2ccc(C4CCCCC4)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,VFCCVMBOBMYURO-UHFFFAOYSA-N
-rxn:5:197876:226150:228415,CC(C)(C)N1C(=O)c2cc(-c3cc(F)ccc3C(F)F)c(-c3cccc(SC4CCCC4)c3)cc2S1(=O)=O,SEJVQBVFXCASDQ-UHFFFAOYSA-N
-rxn:5:197876:226428:227052,CC1CCCCN1c1csc(-c2cc3c(cc2-c2ccc(SC(C)(C)C)cc2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,BBZVRCHUUHPEFJ-UHFFFAOYSA-N
-rxn:5:197876:226914:227091,Cc1cc(CC(C)C)ccc1-c1cc2c(cc1-c1cncc(C3CCCC3)c1)C(=O)N(C(C)(C)C)S2(=O)=O,WUABOWBAZSZSHT-UHFFFAOYSA-N
-rxn:5:197876:227052:223202,CC(C)(C)Sc1ccc(-c2cc3c(cc2-c2ccc(C4(O)CCC4)cc2)C(=O)N(C(C)(C)C)S3(=O)=O)cc1,JFDWZOZNNIUYNJ-UHFFFAOYSA-N
-rxn:5:197876:227076:225395,CCC(C)c1ccc(F)c(-c2cc3c(cc2-c2cc(C4CC4)cc(C(C)(C)C)c2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,CFBBMJJGIXTVJP-UHFFFAOYSA-N
-rxn:5:197876:227079:226189,CC(C)Cc1ccc(F)c(-c2cc3c(cc2-c2ccc(C4CCCC4)c(F)c2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,GCLYKSQJNSBKCK-UHFFFAOYSA-N
-rxn:5:197876:227079:227086,CC(C)Cc1ccc(F)c(-c2cc3c(cc2-c2ccnc(C4CCCC4)c2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,PFOCBKXHOHIYDQ-UHFFFAOYSA-N
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-rxn:5:197876:227102:225598,CC(C)(C)c1ccc(F)c(-c2cc3c(cc2-c2cccc(CN4CCSCC4)c2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,FISJSOKDUZYALA-UHFFFAOYSA-N
-rxn:5:197876:227102:228002,CC(C)(C)c1ccc(F)c(-c2cc3c(cc2-c2sccc2C2CCCC2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,NECYTCRRRMXYKV-UHFFFAOYSA-N
-rxn:5:197876:227412:226589,CC(C)c1cnc(C(F)F)cc1-c1cc2c(cc1-c1cnc(C(C)(C)C)cc1F)S(=O)(=O)N(C(C)(C)C)C2=O,IEUZPEAPOMTDDX-UHFFFAOYSA-N
-rxn:5:197876:227826:226146,CC(C)(C)c1cccc(-c2cc3c(cc2-c2ccc(SC4CCCC4)cc2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,FSTFSQBGSWVPPK-UHFFFAOYSA-N
-rxn:5:197876:227971:226197,CC(C)(C)c1ccncc1-c1cc2c(cc1-c1ccc(C3CCCOC3)cc1)C(=O)N(C(C)(C)C)S2(=O)=O,JNGQYGPBLCSUNL-UHFFFAOYSA-N
-rxn:5:197876:228437:226424,CC1CCCN(c2csc(-c3cc4c(cc3-c3ccc(C(F)F)cc3F)S(=O)(=O)N(C(C)(C)C)C4=O)c2)C1,MNDFMHGPQDEEDE-UHFFFAOYSA-N
-rxn:5:226910:190131:227045,CCC(C)(C)c1ccc(-c2cc(C(=O)N3CCCCC3)cc(-c3cccc(SC(C)(C)C)c3)c2OC)cc1,NYLXPMQMJNUXEJ-UHFFFAOYSA-N
-rxn:5:227922:178295:227696,CCc1cc(OC)ccc1-c1ccc(-c2ccc(C(=O)OC)nc2F)cc1C1(C(=O)OC)CCC(=O)CC1,XIQGZBZGIBNTIG-UHFFFAOYSA-N
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-rxn:4:173802:226041,O=[N+]([O-])c1cccc(C(F)(F)F)c1-c1ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc1,CCDRXXVCCFCQNU-UHFFFAOYSA-N
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-rxn:4:174407:223886,COC(=O)C1(c2cccc(-c3cccc4c3CCN(C(=O)OC(C)(C)C)C4)c2)CC(OC)(OC)C1,SRQDPOSIWGBYOK-UHFFFAOYSA-N
-rxn:4:174428:222637,CC(NC(=O)OC(C)(C)C)c1ccc(-c2ccc(SC(C)(C)C(=O)OC(C)(C)C)cc2)cc1,KWTJETFJBULAKD-UHFFFAOYSA-N
-rxn:4:174437:222913,CC(C)(C)OC(=O)C1(Cc2ccc(F)c(-c3ccc(CNS(=O)(=O)C4CC4)cc3)c2)CC1,JWUPVFHQSJMBSR-UHFFFAOYSA-N
-rxn:4:174437:225104,CCN(CC)C(=O)c1ccc(F)c(-c2cc(CC3(C(=O)OC(C)(C)C)CC3)ccc2F)c1,BRHDZTBKKLWAMY-UHFFFAOYSA-N
-rxn:4:174492:226013,CSc1ccc(OC(F)(F)F)cc1-c1ccc(C(C)(F)F)c(OCCC2CCCCC2)c1,VEIPUEXIFLTYQF-UHFFFAOYSA-N
-rxn:4:174496:223598,COc1cccc(-c2cc(C(=O)OC(C)(C)C)cc(-c3ccc(OCCN4CCC5(CC4)OCCO5)c(F)c3)c2)c1,FKWVFOWXGQRDTR-UHFFFAOYSA-N
-rxn:4:174514:223562,CC(C)[Si](Oc1cccc(-c2ccc(CC3CCN(C(=O)OC(C)(C)C)CC3)cc2)c1)(C(C)C)C(C)C,JCFPIZYRFUIBEU-UHFFFAOYSA-N
-rxn:4:174516:222745,CC(C)[Si](Oc1ccccc1-c1cccc(CNC(=O)OC(C)(C)C)c1)(C(C)C)C(C)C,ZGLBSEVRVYBLRZ-UHFFFAOYSA-N
-rxn:4:174522:224307,CC(C)[Si](C#Cc1ccc(-c2c(F)cc(O[Si](C)(C)C(C)(C)C)cc2F)cc1)(C(C)C)C(C)C,WSYQJCXUFXDVMJ-UHFFFAOYSA-N
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-rxn:4:174656:224599,CC(C)[Si](C#Cc1cccc2cccc(-c3cc(C(=O)C4CCCCC4)ccc3F)c12)(C(C)C)C(C)C,QATYJQDEYMZYQK-UHFFFAOYSA-N
-rxn:4:174671:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1cc(OC(F)F)ccc1OC(F)(F)F,YLPBUPCINNGVIB-UHFFFAOYSA-N
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-rxn:4:175093:223572,CC1CCN(S(=O)(=O)c2ccc(-c3cc(S(C)(=O)=O)ccc3OCC(F)(F)F)c3ccccc23)CC1,RDYYRPOUPGFXJE-UHFFFAOYSA-N
-rxn:4:175093:223929,CC(C)(C)OC(=O)N1CCc2cc(-c3cc(S(C)(=O)=O)ccc3OCC(F)(F)F)cnc2C1,ZIEQBZIKVVWQHD-UHFFFAOYSA-N
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-rxn:4:176519:223828,CCN1CCN(c2cc(-c3cc(F)c(C(=O)C(F)(F)C(F)(F)F)c(F)c3)cc(C(F)(F)F)c2)CC1,ONPHBRVTTIGYSP-UHFFFAOYSA-N
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-rxn:4:177378:223712,COc1ccc(-c2cc(F)cc(OCC3OCCO3)c2)cc1C12CC3CC(CC(C3)C1)C2,XZSYFJIYIKXFDJ-UHFFFAOYSA-N
-rxn:4:177720:223559,CC(=O)c1ccc(OC(C)C)c(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)c1,CZTSSRDDFOIEJD-UHFFFAOYSA-N
-rxn:4:177981:223903,CC1(CS(=O)(=O)c2ccc(-c3ccccc3CCC(=O)N3CCC(=O)CC3)cc2)COC1,XEINVXOHKQYESB-UHFFFAOYSA-N
-rxn:4:178295:224930,CCN(CC)Cc1cc(-c2ccc(Cl)cc2C2(C(=O)OC)CCC(=O)CC2)ccc1OC,HRAGBFYPINPGNT-UHFFFAOYSA-N
-rxn:4:178296:224425,CCCC1CCC(c2ccccc2-c2cc(C3(C(=O)OC)CCC(=O)CC3)ccc2F)CC1,ZDQNSMGSCPUQDR-UHFFFAOYSA-N
-rxn:4:178381:222924,Cc1ccc(-c2c(C(C)(C)C)cc(C(C)(C)C)cc2C(C)(C)C)cc1S(=O)(=O)NC(C)C,RMCOAQXOADNGCN-UHFFFAOYSA-N
-rxn:4:178384:222940,CC(C)(C)NS(=O)(=O)c1cncc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c1,JFDOOLURJDZPCV-UHFFFAOYSA-N
-rxn:4:178384:226256,CCCCOc1cc(F)ccc1-c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1,IBDRMQXZYRDOBS-UHFFFAOYSA-N
-rxn:4:178384:226353,COc1cc(C2CC2)cc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c1Cl,HHVRJPHAADHESD-UHFFFAOYSA-N
-rxn:4:178384:227968,c1cc(C2CCC2)c(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)cn1,AJGKVUYDKSUDLB-UHFFFAOYSA-N
-rxn:4:178384:228268,CSc1c(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)ccc(C)c1F,YMGGRZNZCHSTQJ-UHFFFAOYSA-N
-rxn:4:178417:223574,CCOC(=O)c1cc2c(-c3cccc(CN4CCN(C(=O)OC(C)(C)C)CC4)c3)c(F)ccc2s1,HFNQLUGYGYDOEP-UHFFFAOYSA-N
-rxn:4:178531:223504,CC(C)(C)OC(=O)c1ccc2cc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)c([N+](=O)[O-])c3)ccc2c1,JJXAZXVHYRSBPA-UHFFFAOYSA-N
-rxn:4:178597:223550,CC(C)c1cccc(C(C)C)c1OCc1ccccc1-c1ccc(OC(=O)C2OC3OC(C)(C)OC3C3OC(C)(C)OC23)cc1,LSUMVABCADBMFZ-UHFFFAOYSA-N
-rxn:4:178597:223557,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc(OC(=O)C4OC5OC(C)(C)OC5C5OC(C)(C)OC45)cc3)c(F)ccc21,DDWRTBPEJDHZRV-UHFFFAOYSA-N
-rxn:4:178597:227148,Cc1cc2c(cnn2C)cc1-c1ccc(OC(=O)C2OC3OC(C)(C)OC3C3OC(C)(C)OC23)cc1,MTQUFBGBFQQIAD-UHFFFAOYSA-N
-rxn:4:178597:229030,Cc1ccc(F)cc1-c1ccc(OC(=O)C2OC3OC(C)(C)OC3C3OC(C)(C)OC23)cc1,QRASWOJDOOZSIT-UHFFFAOYSA-N
-rxn:4:178598:223550,COc1cc2c(cc1OC)C1CCCCC1OC2c1cccc(-c2ccccc2COc2c(C(C)C)cccc2C(C)C)c1,NRFMETYDHCEPNS-UHFFFAOYSA-N
-rxn:4:178753:223574,CC(C)(C)OC(=O)N1CCN(Cc2cccc(-c3ccc(C(=O)C(F)(F)F)cc3Cl)c2)CC1,MCFADPUGRUPTMX-UHFFFAOYSA-N
-rxn:4:178773:223577,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3ccc(C(F)(F)F)cc3S(=O)[O-])cc2)CC1,XGGPHOUJSYJIAS-UHFFFAOYSA-M
-rxn:4:179395:223559,COC(=O)c1cc(C)c(Cl)c(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)c1,GLUGHXVEMOCKLW-UHFFFAOYSA-N
-rxn:4:179602:223498,CC(C)Oc1c(F)ccc(-c2ccc(C(=O)N3CCCN(C(=O)OC(C)(C)C)CC3)cc2)c1F,HUTPGGRTBANDGW-UHFFFAOYSA-N
-rxn:4:179819:223573,COC(=O)c1cc(C)c(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)cc2)c(C)c1,VGQNCERXNXDDBG-UHFFFAOYSA-N
-rxn:4:179927:223528,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3c(C(F)(F)F)ccc(F)c3C3OCCO3)ccc2F)CC1,FQMKQSDKQDBEGI-UHFFFAOYSA-N
-rxn:4:180076:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3ccc(C(=O)C(C)C)cc3C)cc21,CEGBALOJCOUFNC-UHFFFAOYSA-N
-rxn:4:180284:223822,CC1C(=O)CCC1Sc1ccccc1-c1cc(C(F)(F)F)ccc1C(=O)OCC(C)(C)C,FUMZGWSPAOXZKI-UHFFFAOYSA-N
-rxn:4:180492:223504,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cc(C4CCCOC4)ccc3C3CC3)cc2[N+](=O)[O-])CC1,VZDGPLLNNQSFKO-UHFFFAOYSA-N
-rxn:4:180670:223493,CCOc1c(-c2cc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)ccc2C)ccc2ccccc12,ZMIJRCDCPWFHMS-UHFFFAOYSA-N
-rxn:4:180792:225056,CCOC1CCC2(CC1)Cc1ccc(-c3ccc(N4CCCC(C)C4)cc3F)cc1C2=O,XDWVTZJLMFPKNE-UHFFFAOYSA-N
-rxn:4:180815:224864,COc1ccc(-c2ccc(CN(C(C)C)C(C)C)cc2)cc1C12CC3CC(CC(C3)C1)C2,LRXDIRMCVGJXJF-UHFFFAOYSA-N
-rxn:4:181925:223536,CC(C)(C)OC(=O)N1CCN(c2cc(-c3ccc(C4CCCC4)cc3)cc(F)c2F)CC1,CCBAVFBVDPOIBC-UHFFFAOYSA-N
-rxn:4:182300:222389,c1cc2c(cc1-c1cc(C3CCNCC3)nc(C3CCNCC3)c1)CC(C1OCCO1)O2,DHAZRDVFTWWFCV-UHFFFAOYSA-N
-rxn:4:182372:222702,CO[C@H]1CC[C@]2(CC1)Cc1ccc(-c3cc(C4CCCNC4)ccc3C(F)(F)F)cc1C2=O,WPFKCDKSROYXSZ-OTXJXNQZSA-N
-rxn:4:182372:224248,CO[C@H]1CC[C@]2(CC1)Cc1ccc(-c3ccc(C(=O)N4CCC(C)CC4)c(Cl)c3)cc1C2=O,OGCGZLDJYVMSFP-RSIILCRJSA-N
-rxn:4:182372:224768,CO[C@H]1CC[C@]2(CC1)Cc1ccc(-c3cc(F)c(C(=O)N4CCCC4)c(F)c3)cc1C2=O,GOFKIYLEIAARSV-KQODVJPSSA-N
-rxn:4:182376:225594,CO[C@H]1[C@H](C)C[C@@]2(Cc3ccc(-c4ccc(F)cc4CN4CCCC4)cc3C2=O)C[C@@H]1C,UFCMJCHVJPMFSX-CCMMMYSXSA-N
-rxn:4:182376:225666,CO[C@H]1[C@H](C)C[C@@]2(Cc3ccc(-c4cc(F)cc(N5CCCCC5)c4)cc3C2=O)C[C@@H]1C,SAZWZKFLLLQJOV-CCMMMYSXSA-N
-rxn:4:182396:222622,CCC(C)c1cc(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc(C2CCCNC2)n1,FDWZEGANWASTCT-UHFFFAOYSA-N
-rxn:4:183273:223017,COC(=O)c1cccc2cc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)[nH]c12,FJIOOMLHTURNCP-UHFFFAOYSA-N
-rxn:4:183273:226633,Cc1nc(-n2cccn2)ccc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,DJRZPSIKPMUKKK-UHFFFAOYSA-N
-rxn:4:183273:227625,c1cc2c(cc1-c1cnc(C3CCCO3)nc1)OCCOCCOCCOCCOCCOCCO2,FGFNEDOENUQKOJ-UHFFFAOYSA-N
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-rxn:4:183274:226780,COc1c(F)cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCOCCO3)c(OC)c1Cl,CLHOCVLRCILQLP-UHFFFAOYSA-N
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-rxn:4:183482:222826,CCOC(=O)C(=O)Cc1ccc(-c2cccc(S(=O)(=O)N3CCNCC3)c2)cc1[N+](=O)[O-],AXNSZPHMRFASMY-UHFFFAOYSA-N
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-rxn:4:185004:226843,O=C(COc1ccc(C(F)(F)F)cc1-c1ccc(C(=O)C(F)(F)F)nc1)N1CCCCC1,QERWHVJZINUSNE-UHFFFAOYSA-N
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-rxn:4:191058:224877,COC(=O)C1CCN(C2CCc3cc(-c4ccc(COC5CCCCC5)cc4)ccc32)CC1,BXHIPWNBYRJHIC-UHFFFAOYSA-N
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-rxn:4:193935:222700,O=C(c1ccc(-c2ccc(C(F)(F)F)cc2C2CCCNC2)o1)N1CCC2(CC1)OCCCO2,SFFIHZDYWFVLPQ-UHFFFAOYSA-N
-rxn:4:193951:222703,Cc1cc(-c2ccc(C(F)(F)F)c(C3CCNCC3)c2)cc(CN2CCC(C)CC2)c1F,WQIAAJKILHZWLD-UHFFFAOYSA-N
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-rxn:4:194710:223831,COc1ccc(-c2ccc3c(c2)CCC3N2CCC(C(F)(F)F)CC2)cc1S(=O)(=O)N1CCC(C)CC1,SMRGJKHTAJGQRA-UHFFFAOYSA-N
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-rxn:4:194853:224648,CC(C)(C)[Si](C)(C)Oc1ccc(-c2ccc3c(c2)c2c(n3CC3CCCCC3)CCCC2)c(Cl)c1,NXSOCTIWCPZLAU-UHFFFAOYSA-N
-rxn:4:195017:223480,CCc1nc(-c2cc(C)c(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c(C)c2)cs1,GLWSKFLVNUAODG-UHFFFAOYSA-N
-rxn:4:195126:223497,CC(c1ccc(-c2c(C(F)F)ccnc2F)cc1)N1CCC(O[Si](C)(C)C(C)(C)C)CC1,KUSLPBQEQJAQSS-UHFFFAOYSA-N
-rxn:4:195168:223541,O=[N+]([O-])c1ccc(Cl)c(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC3(CC2)OCCO3)c1F,WHHQFOJLJCIJGQ-UHFFFAOYSA-N
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-rxn:4:197910:224391,Cc1cc(S(=O)(=O)N2CCOCC2)ccc1-c1ccc2c(c1)C(N1CCC(F)(F)C1)CC2,AIEJUQCQKTVISH-UHFFFAOYSA-N
-rxn:4:197964:223992,Cc1ccc(-c2ccc3[nH]cc(C4=CCC5(CC4)OCCO5)c3c2)cc1S(=O)(=O)N1CCN(C)CC1,DEYBOTCOKCFZRP-UHFFFAOYSA-N
-rxn:4:197965:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3ccc4c(C5=CCC6(CC5)OCCO6)c[nH]c4c3)cc2)CC1,XMKPOLUYLALHTI-UHFFFAOYSA-N
-rxn:4:197978:222918,CC(C)(C)NS(=O)(=O)c1cccc(-c2ccc3c(c2)CCCC3N2CCCC(F)(F)C2)c1,ATZFXYRPZNIFAA-UHFFFAOYSA-N
-rxn:4:197987:223922,CC1CCCN(C2CCCc3c(-c4ccc(Cl)c(C(=O)N(C)C5CCCCC5)c4)cccc32)C1,GUGJLZCVCGVYNY-UHFFFAOYSA-N
-rxn:4:197987:224649,CC1CCCN(C2CCCc3c(-c4cc(F)ccc4OCC4CCCCO4)cccc32)C1,RERFGUZPMLPUCY-UHFFFAOYSA-N
-rxn:4:197990:224586,CC1CCN(Cc2ccc(F)cc2-c2ccc3c(c2)CCCC3N2CCCC(C)C2)CC1,HXTDRLUXWQDJGL-UHFFFAOYSA-N
-rxn:4:198013:224325,CC(=O)C1=C2CCCN2c2cc(-c3ccc(C4=CCN(S(C)(=O)=O)CC4)cc3)ccc2S1(=O)=O,BLDQTSSSJPYDNI-UHFFFAOYSA-N
-rxn:4:199455:224192,CCOC(=O)Cc1cc([N+](=O)[O-])c(-c2cc(F)ccc2CN2CCN(CC)CC2)cc1C#N,GTGCYKQTUFMGEV-UHFFFAOYSA-N
-rxn:4:199469:224022,COC(=O)C(C(=O)OC)c1ncc(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1C#N,FVHLDFZHYUCEML-UHFFFAOYSA-N
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-rxn:4:202594:222714,CCOC(=O)c1cnc2c(-c3cc(NC(=O)OC(C)(C)C)cc(F)c3F)cccc2c1N1CCCCC1,PTZHOAYCJZBGHN-UHFFFAOYSA-N
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-rxn:4:202711:222913,C[C@H]1CC[C@H](c2ccc3sc(-c4ccc(CNS(=O)(=O)C5CC5)cc4)nc3c2)N(C(=O)OC(C)(C)C)C1,QFZIEHXBALFXPK-MHECFPHRSA-N
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-rxn:4:203731:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(C(=O)N2CC(N3CCCC3)C2)o1,CMRPEYQETBUPEG-UHFFFAOYSA-N
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-rxn:4:207090:226223,CCOCCOc1ccccc1-c1ccc(N2C(=O)CC(N3CCC(C)CC3)C2=O)cc1,GANBAVQIJLJYDK-UHFFFAOYSA-N
-rxn:4:207128:223482,N#Cc1cc2cc(-c3ccc(OC(F)(F)F)c(S(=O)(=O)N4CCC5(CC4)OCCO5)c3)cc([N+](=O)[O-])c2oc1=O,ULGIICJULDMTMF-UHFFFAOYSA-N
-rxn:4:207464:223474,CCn1ncc(-c2ccc(OCc3ccccc3)c(C34CC5CC(CC(C5)C3)C4)c2)c1C12COC(C)C1O2,LAHLGVYTAAHTAQ-UHFFFAOYSA-N
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-rxn:4:207748:223579,CC(=O)N=C1SC2CS(=O)(=O)CC2N1c1cccc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3C)cc2)c1,QFCHHLNAJNTCJG-UHFFFAOYSA-N
-rxn:4:207825:224774,O=C1OC2(CCCN(C(=O)c3cncc(-c4ccc(N5CCCC5)c(C(F)(F)F)c4)c3)C2)c2ccccc21,ZTUJPXSADGPIAQ-UHFFFAOYSA-N
-rxn:4:207826:224485,CC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2ccc(N3C(=O)N(c4ccccc4Cl)C4CS(=O)(=O)CC43)cc2)c1,WVLQZPJUGATFRY-UHFFFAOYSA-N
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-rxn:4:207843:224552,CCN1CCN(C2CCCc3cc(-c4cc(F)cc(COC5CCCCC5)c4)ccc32)CC1,ATUPELWYRQJFCI-UHFFFAOYSA-N
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-rxn:4:207850:224485,Cc1ccc(N2C(=O)N(c3ccc(-c4ccn([Si](C(C)C)(C(C)C)C(C)C)c4)cc3)C3CS(=O)(=O)CC32)cc1,VBWYEEJHTZYZST-UHFFFAOYSA-N
-rxn:4:207856:224917,Cc1cc(N2CCC(C)CC2)ccc1-c1ccc2c(c1)CCCC2N1CCN(C(C)C)CC1,RRQUQOHSOICXMK-UHFFFAOYSA-N
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-rxn:4:207959:225828,Cc1ccc(C2=NN3C(C2)c2cc(-c4cnc(N5CCCCCC5)nc4)ccc2OC3C2CCCCC2)cc1,VHTQEOKVEYFXEU-UHFFFAOYSA-N
-rxn:4:207960:223522,CC1(C)CC(=O)C2=C(C1)N=c1sc(=Cc3cccc(-c4cc(F)cc(N5CCC(O[Si](C)(C)C(C)(C)C)CC5)c4)c3)c(=O)n1C2c1ccccc1,RDBLBOJUFBVRFG-UHFFFAOYSA-N
-rxn:4:209893:223497,Cc1ccc(N2CCN(C)CC2)cc1-c1ccc(C(C)N2CCC(O[Si](C)(C)C(C)(C)C)CC2)cc1,RBHMZSRFNPOWOT-UHFFFAOYSA-N
-rxn:4:211033:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3cnc(N4CC5CCCC5C4)c(C)c3)cc2)CC1,XQUQYZXYQQCWOM-UHFFFAOYSA-N
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-rxn:4:212839:228584,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4ccnc(C5CC5)c4)ccn23)CC1,MLIDVNZNKDQCQZ-UHFFFAOYSA-N
-rxn:4:212849:226685,O=C(c1ccccc1-c1cnc(C2CCOCC2)nc1)N(Cc1ccccc1)c1nnc(C23CC4CC(CC(C4)C2)C3)s1,RJMOCWCVJSYEHI-UHFFFAOYSA-N
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-rxn:4:212938:224325,CCC(=O)N1CCCC(COc2ncc(-c3ccc(C4=CCN(S(C)(=O)=O)CC4)cc3)cn2)C1,NBRCMVDWGIABQG-UHFFFAOYSA-N
-rxn:4:212938:224759,CCC(=O)N1CCCC(COc2ncc(-c3cc(F)cc(C(=O)N4CCOCC4)c3)cn2)C1,JSFAKWKOSBRSIM-UHFFFAOYSA-N
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-rxn:4:213045:222911,COC(=O)c1cc(NC(C)=O)cc(-c2cnc(OCC3CCCN(C(=O)C4CCC4)C3)nc2)c1,ZIASUPBMMKDPQL-UHFFFAOYSA-N
-rxn:4:213065:222982,O=C(c1ccc(C(F)(F)F)cc1)N1CCCC(Oc2ncc(-c3ccc(CN4CC[C@@H](O)C4)cc3)cn2)C1,LUDDTQNLEMHBBH-IKOFQBKESA-N
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-rxn:4:213123:225341,CCOc1ccc(OC(F)(F)F)c(-c2ccccc2CC(=O)N2CCN(c3ccnc(C(F)(F)F)c3)C(=O)C2)c1,YXFQHCFPVQXTSX-UHFFFAOYSA-N
-rxn:4:213123:226417,O=C(Cc1ccccc1-c1cc(Cl)cc(N2CCCC2)c1)N1CCN(c2ccnc(C(F)(F)F)c2)C(=O)C1,BEKNYLVPRFXDLG-UHFFFAOYSA-N
-rxn:4:213124:226474,CC(C)CN(c1ncc(-c2cncc(OCCN(C)C)c2)cc1[N+](=O)[O-])C1CCCCC1,GOOCTRIYMWSBCH-UHFFFAOYSA-N
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-rxn:4:213162:224189,COc1ccc(S(=O)(=O)N2CCC(Oc3ncc(-c4ccc(O[Si](C)(C)C(C)(C)C)c(OC)c4)cn3)CC2)cc1F,IKLZUNLUEFKWDW-UHFFFAOYSA-N
-rxn:4:213192:226988,COCCCc1ccc(-c2cc(C(=O)OC(C)(C)C)cc(N3CCN(C(C)=O)CC3)n2)cc1,YVONEVDCYSHMPU-UHFFFAOYSA-N
-rxn:4:213195:225549,CCCCC(=O)c1cc(-c2cnc(OCC3CCN(C(=O)C4CCOCC4)CC3)nc2)ccc1F,JFQOHWCMNGQDGI-UHFFFAOYSA-N
-rxn:4:213203:222819,Cc1ccc(OCC2CCN(S(=O)(=O)c3ccc(-c4ccc(NC(=O)N5CCOCC5)nc4)cc3)CC2)nn1,YHEQTDVCTJRWDC-UHFFFAOYSA-N
-rxn:4:213213:223589,Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1cccc(N(C)C2CCN(C(=O)OC(C)(C)C)CC2)n1,XURCAFWKLKDXDQ-UHFFFAOYSA-N
-rxn:4:213239:226842,O=C(c1cncc(-c2cncc(C(=O)C(F)(F)F)c2)c1)N1CCN(C(=O)C2CC2c2ccc(F)cc2)CC1,UKVPYJKTJXMYLO-UHFFFAOYSA-N
-rxn:4:213250:224845,CC(C)(C)c1ccc(C(=O)N2CCC(Oc3ncc(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)cn3)C2)cc1,RORXSBXFLODZIX-UHFFFAOYSA-N
-rxn:4:213263:225830,Cc1nc(N2CCCCC2)ncc1-c1cccc(C(=S)N2CCN(C(=S)c3ccc(N(C)C)cc3)CC2)c1,VCGCVJWUICLMJN-UHFFFAOYSA-N
-rxn:4:213275:224325,COc1ccc(S(=O)(=O)N2CCC(c3nc(-c4ccccc4-c4ccc(C5=CCN(S(C)(=O)=O)CC5)cc4)no3)CC2)cc1,AINKNBSJYRAGIH-UHFFFAOYSA-N
-rxn:4:213281:226648,Cc1nc(-c2cccc(-c3cccnc3OC3CCN(C(=O)C4CCN(S(C)(=O)=O)CC4)CC3)c2)no1,DHDAQKNDCIIGEC-UHFFFAOYSA-N
-rxn:4:213282:227112,Cc1cc(C2CC2)c(Cl)cc1-c1cccc(N2CC(C(=O)N3CCC(Oc4ccncc4)CC3)CC2=O)c1,WTRFLSSOBQALDB-UHFFFAOYSA-N
-rxn:4:213320:224246,COC(=O)c1nc(-c2ccc(C(=O)N3CCC(C)CC3)c(F)c2)n2c1CN(C(=O)OC(C)(C)C)CC2,OJRMPFMDVUXZEZ-UHFFFAOYSA-N
-rxn:4:213337:224378,CCCCC(=O)N1CCN(c2nc3ccc(-c4cnc(N5CCCCC5)c(C(F)(F)F)c4)cc3s2)CC1,LIRNSTFQHRRUBE-UHFFFAOYSA-N
-rxn:4:213353:224801,CCCOc1cc(-c2cnccc2OC2CCN(C(=O)CN3C(=O)c4ccccc4C3=O)C2)cc(C(F)(F)F)c1F,HMRSTGQSACUFGT-UHFFFAOYSA-N
-rxn:4:213354:224394,Cc1ccc(-c2ccc(CN3CC4CC(C3)N4C(=O)OC(C)(C)C)nc2)cc1S(=O)(=O)N1CCOCC1,MFELSSOPEUAYLR-UHFFFAOYSA-N
-rxn:4:213355:222879,CC(C)CS(=O)(=O)C1CN(C(=O)c2c3ccc(-c4c(Cl)cccc4NC(=O)C(C)(C)C)cc3nn2C)C1,HTUQUCYRQRCIBC-UHFFFAOYSA-N
-rxn:4:213471:225875,O=C1C2C3C=CC(C3)C2C(=O)N1CCN1CCN(S(=O)(=O)c2ccc(-c3ccc(N4CCOCC4)cc3Cl)cc2)CC1,HQQLGAKPVRWEOA-UHFFFAOYSA-N
-rxn:4:213471:226019,O=C1C2C3C=CC(C3)C2C(=O)N1CCN1CCN(S(=O)(=O)c2ccc(-c3ccc(F)cc3OCC(F)(F)F)cc2)CC1,XWIDFQOUWAZVBC-UHFFFAOYSA-N
-rxn:4:213471:226606,CC(C)Oc1c(F)cc(-c2ccc(S(=O)(=O)N3CCN(CCN4C(=O)C5C6C=CC(C6)C5C4=O)CC3)cc2)cc1Cl,AKDWTONBAFFBDD-UHFFFAOYSA-N
-rxn:4:213480:223038,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4ccc(Cl)c(C(=O)NC(C)C)c4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,URCOZUDUQOMJMW-IVMILYEGSA-N
-rxn:4:213499:223637,CC(C)(C)OC(=O)N1CCCC(c2ccccc2-c2ccc(OCCN=[N+]=[N-])cc2F)C1,ZASKWJKPTBEGRW-UHFFFAOYSA-N
-rxn:4:213629:224082,CCC(C(=O)OC(C)(C)C)c1cccc(-c2ccnn2C2CN(C(=O)OC(C)(C)C)C2)c1,XXVPVIOLAZZZOC-UHFFFAOYSA-N
-rxn:4:213737:222514,COc1ccc(-c2ccc(S(=O)(=O)N3CCC(Oc4ccncn4)C3)cc2)cc1S(=O)(=O)NC1CCCCC1,JALNZPNSZCEUDC-UHFFFAOYSA-N
-rxn:4:213754:225288,CCN1CCN(Cc2cc([N+](=O)[O-])ccc2-c2ccc(OC(C)C)cc2C(F)(F)F)CC1,CFENIUONBVXUKZ-UHFFFAOYSA-N
-rxn:4:213756:222866,CC(C)(C)OC(=O)Nc1cccc(-c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)s2)c1,UVQILMYTXOVKOP-UHFFFAOYSA-N
-rxn:4:213777:224818,CCOC(=O)c1nc(N2CCN(C)CC2)ccc1-c1ccc(S(=O)(=O)N2CCSCC2)cc1,ORSQEZSADBOVEX-UHFFFAOYSA-N
-rxn:4:213794:224711,CCCCOc1ccc(C(F)(F)F)cc1-c1cnn(CC2CN(CC3CCCCO3)C2)c1,VILHAUQQGSIIPN-UHFFFAOYSA-N
-rxn:4:213798:223059,CC(C)(C)OC(=O)N1CCOC(c2cnc(-c3ccc(N4CCNCC4)cc3Cl)cn2)C1,RKFPNNCLSHLZEN-UHFFFAOYSA-N
-rxn:4:213801:225172,CC(C)(C)OC(=O)N1CCOC(c2cncc(-c3cc(CN4CCOCC4)ccc3F)n2)C1,DWJHPVQFXBPFMU-UHFFFAOYSA-N
-rxn:4:213803:224863,CC(C)N(Cc1ccccc1-c1cnc(C2COCCN2C(=O)OC(C)(C)C)nc1)C(C)C,CKUWHCSVMMFPLL-UHFFFAOYSA-N
-rxn:4:213805:224161,CC(C)(C)OC(=O)N1Cc2ccc(-c3cnc(C4CN(C(=O)OC(C)(C)C)CCO4)nc3)cc2C1,XTHLNQZWFKTSCZ-UHFFFAOYSA-N
-rxn:4:213852:222582,O=C(NCCN1CCOCC1)c1cccc(-c2ccc(CN3CCC(Oc4ncc(F)cn4)CC3)cc2)c1,TWNBAIOISRZBQD-UHFFFAOYSA-N
-rxn:4:213860:223866,CC1(C)CCCC(C)(C)N1Cc1ccccc1-c1ccc(S(=O)(=O)N2CCC(Oc3cnccn3)CC2)cc1,YHNFDHDRWZCTAO-UHFFFAOYSA-N
-rxn:4:213863:222514,COc1ccc(-c2ccc(S(=O)(=O)N3CCCC(Oc4ncccn4)C3)cc2)cc1S(=O)(=O)NC1CCCCC1,POHGMEIBULANBZ-UHFFFAOYSA-N
-rxn:4:213863:222624,CC(C)Cc1cc(-c2ccc(S(=O)(=O)N3CCCC(Oc4ncccn4)C3)cc2)cc(C2CCNCC2)n1,ISAWFTRXNHVPOY-UHFFFAOYSA-N
-rxn:4:213872:225205,Cc1cc(C(F)(F)F)c(C2CC2)cc1-c1cnn(CC2CN(CC3CCCCC3)C2)c1,WQXDQQXNXXFPCX-UHFFFAOYSA-N
-rxn:4:213873:222447,COc1ccc2c(c1-c1ccc([N+](=O)[O-])cc1CN1CCN(C(C)C)CC1)N=C(NC(=O)OC(C)(C)C)C2,JKAHZSOPCGPZAK-UHFFFAOYSA-N
-rxn:4:213898:224718,CC(C)(C)C(=O)N1CCC(Oc2ncc(-c3ccc(OCCN4CCOCC4)nc3)cn2)CC1,FMSYJCDNOLJVMI-UHFFFAOYSA-N
-rxn:4:213900:223900,CC(C)(C)OC(=O)N1CCCC(c2ncc(-c3ccc(CCO[Si](C)(C)C(C)(C)C)c(F)c3)cn2)C1,BYVGJZXNKRGRSW-UHFFFAOYSA-N
-rxn:4:213910:223838,CN(C)S(=O)(=O)N1CCN(c2ccc(-c3cccnc3OC3CCN(S(=O)(=O)N4CCOCC4)C3)cc2)CC1,MSRLJODNBXNHMO-UHFFFAOYSA-N
-rxn:4:213938:225978,O=S(=O)(c1ccc(-c2ccc(N3CCOCC3)nc2F)cc1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1,VJMXQMFIHWOPPA-UHFFFAOYSA-N
-rxn:4:213941:224502,Cc1c(-c2cccc(OCC3CCCCN3C)c2)cnn1C1CCN(C(=O)OC(C)(C)C)CC1,SYUDAPCVXWHYPY-UHFFFAOYSA-N
-rxn:4:213972:225727,CCOC(=O)c1ccc(OC)c(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)c(C(F)(F)F)c2)c1,WNDGPQZTVADKKL-UHFFFAOYSA-N
-rxn:4:213972:227753,O=C(C1CN(c2ncc(-c3cccc(C(F)(F)F)c3Cl)cc2C(F)(F)F)CCO1)N1CCOCC1,ANBMBRODQVUORJ-UHFFFAOYSA-N
-rxn:4:213977:224597,CC1CN(C(=O)OC(C)(C)C)CCN1c1cccc(-c2cc(C3CC3)cc(N3CCOCC3)c2)n1,ANQZFNPRUMIWRT-UHFFFAOYSA-N
-rxn:4:213980:225829,CC1CCN(c2ncc(-c3ccnc(C4CCN(C(=O)OC(C)(C)C)CC4C)n3)cn2)CC1,INLIHUFVFUFJLT-UHFFFAOYSA-N
-rxn:4:213990:223498,Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1-c1ccc(C(=O)N2CCCN(C(=O)OC(C)(C)C)CC2)cc1,ODJVXDJAMFYRCM-UHFFFAOYSA-N
-rxn:4:214000:226253,CCCOc1cc(OC)cc(-c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3C)c(F)c2)c1,VSWWRNZFCKARGH-UHFFFAOYSA-N
-rxn:4:214004:224349,COc1ccc(-c2ccc(N3CCCCC3)c(C(F)(F)F)c2)c(C(=O)N2CCC(c3ccn(C)n3)CC2)c1,HJQSBMKDMAFWTF-UHFFFAOYSA-N
-rxn:4:214005:225210,Cc1nc(N2CCC(C)CC2)ncc1-c1cccc(C(=O)N2CCN(C(=O)N3CCOCC3)CC2)c1,FGEUWTSTCYFISJ-UHFFFAOYSA-N
-rxn:4:214011:225827,Cc1nn(S(=O)(=O)c2ccc(-c3ccnc(N4CCN(C)CC4)c3)cc2)c(C)c1S(=O)(=O)N1CCCC1,IZCPNZRSIDALAQ-UHFFFAOYSA-N
-rxn:4:214012:224742,COc1cc(OC)c(C2OCCO2)cc1-c1ccccc1S(=O)(=O)N1CCC(S(=O)(=O)c2nccn2C)CC1,AXGJYDYHZSFEID-UHFFFAOYSA-N
-rxn:4:214017:222440,Cc1ccc(=O)n(CC2CCN(C(=O)c3ccc(-c4ccc(S(=O)(=O)NCc5ccco5)cc4C(F)(F)F)cc3)CC2)n1,JUNXYWVRHZLBHK-UHFFFAOYSA-N
-rxn:4:214027:223163,CCNC(=O)c1cccc(-c2cnc(N3CCCC(C(=O)N4CCOCC4)C3)c(C(F)(F)F)c2)c1F,LPQSDRLMKDZGLB-UHFFFAOYSA-N
-rxn:4:214027:226231,CCCCOc1ncc(-c2cnc(N3CCCC(C(=O)N4CCOCC4)C3)c(C(F)(F)F)c2)cc1C,FQWHZQALDOKFHP-UHFFFAOYSA-N
-rxn:4:214033:222958,Cc1ccc(-c2cc(C3=N[C@@H](C(C)C)CO3)nc(C3=N[C@@H](C(C)C)CO3)c2)cc1C1CCNCC1,ZRQLEZSLUSLAGX-KAYWLYCHSA-N
-rxn:4:214033:225074,COc1cccc2c(-c3cc(C4=N[C@@H](C(C)C)CO4)nc(C4=N[C@@H](C(C)C)CO4)c3)c(C(C)C)nn12,WKWZEWZFHQMZLJ-FGZHOGPDSA-N
-rxn:4:214037:225921,COc1cc(-n2cc(-c3ccc(N4CC(C(=O)N5CCN(S(C)(=O)=O)CC5)CC4=O)cc3)cn2)ccn1,XFUXCPAROFWYQN-UHFFFAOYSA-N
-rxn:4:214042:224648,CC(C)(C)[Si](C)(C)Oc1ccc(-c2ccc(C(=O)N3CCC(N4CC(=O)N(c5ccccc5)C4=O)CC3)o2)c(Cl)c1,SHAUUZJXSYCYJJ-UHFFFAOYSA-N
-rxn:4:214064:225265,CCCCOc1c(F)cc(F)c(-c2ccc(CN3CCN(S(C)(=O)=O)CC3)c(N3CCOCC3)c2)c1F,NUANVCMHNNQYSS-UHFFFAOYSA-N
-rxn:4:214071:223582,COC(=O)c1ccc2cc(-c3cccc(C(=O)N4CCN(S(=O)(=O)N5CCCCCC5)CC4)c3)n(C(=O)OC(C)(C)C)c2c1,NTHPSCDOJRSLOJ-UHFFFAOYSA-N
-rxn:4:214074:223169,Cc1nn(S(=O)(=O)c2ccc(-c3cnc(C4CCNCC4)nc3)cc2)c(C)c1S(=O)(=O)N1CCCC(C)C1,NBKWZPGTMCHYHX-UHFFFAOYSA-N
-rxn:4:214074:224603,Cc1nn(S(=O)(=O)c2ccc(-c3cccc4c3cnn4C3CCCCO3)cc2)c(C)c1S(=O)(=O)N1CCCC(C)C1,QRIZCXNUTZMSLP-UHFFFAOYSA-N
-rxn:4:214079:227089,CC(C)N1CCN(Cc2ccc(-c3ccncc3C3CCCC3)cc2N2CCCC2)CC1,FNMZLCIUHBPKAJ-UHFFFAOYSA-N
-rxn:4:214184:222677,CC(C)(C)OC(=O)NCc1cc(F)ccc1-c1ccc2ncn(CCCN3CCOCC3)c(=O)c2c1,YBOATSGEROAPTN-UHFFFAOYSA-N
-rxn:4:214630:223569,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(F)c(-c3c(C4CC4)n[nH]c3C(=O)N3CCOCC3)cnc21,GDBFKMAYXGSWKV-UHFFFAOYSA-N
-rxn:4:214654:222694,CN1CCC(Oc2ncc([N+](=O)[O-])cc2-c2cccc(S(=O)(=O)NC3CCCCC3)c2)CC1,DLAWGXSLMOTDDX-UHFFFAOYSA-N
-rxn:4:214683:222584,CCN1CCN(C(=O)c2ncc(-c3ccc(OCCCN4CCNCC4)c(F)c3)cc2Cl)CC1,ATJQMAMDKJLXSP-UHFFFAOYSA-N
-rxn:4:214709:224426,CCN1CCN(S(=O)(=O)c2ccc(-c3cc(C4CCCCC4)cc(C4CC4)c3)cn2)CC1,XNDCMFLSZQHTTM-UHFFFAOYSA-N
-rxn:4:214728:223583,COC(=O)c1ccc2c(-c3cnn(C(C)C(=O)N4CCC(C)CC4)c3)cn(C(=O)OC(C)(C)C)c2c1,FHJBKRRTYCANMV-UHFFFAOYSA-N
-rxn:4:214767:225202,CN(C)C1CCN(c2c(-c3cc(C4CCC4)cc(C(F)(F)F)c3)cccc2[N+](=O)[O-])CC1,VZXUENGAYYVCAJ-UHFFFAOYSA-N
-rxn:4:214803:224627,CN(C)C1CN(C(=O)c2ccc(-c3ccc(N4CCOC(C(=O)N5CCCC5)C4)nc3)cc2)C1,UVCOGFAKORADLK-UHFFFAOYSA-N
-rxn:4:214819:223790,CC(C)(C)OC(=O)N1CCCC1c1cncc(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCCC3)C2)c1,QHFLSATWEXNLSX-UHFFFAOYSA-N
-rxn:4:214829:223028,CCCNC(=O)c1ccc(F)c(-c2cccnc2N2CCOC(C(=O)N3CCSCC3)C2)c1,IGFWYQHRDCHOSZ-UHFFFAOYSA-N
-rxn:4:214830:222543,CC(C)(C)OC(=O)NC1(c2ccc(-c3ccc(N4CCOC(C(=O)N5CCSCC5)C4)nc3)cc2)CC1,LWJPRRSTKZTNGB-UHFFFAOYSA-N
-rxn:4:214835:222902,COC(=O)CNC(=O)c1cccc(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCOCC3)C2)c1,QLNGKMWUKFJHDD-UHFFFAOYSA-N
-rxn:4:214835:227249,CCCOc1ccc(Cl)c(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCOCC3)C2)c1,SEAKCXBYEZOFMV-UHFFFAOYSA-N
-rxn:4:214838:224196,CCN1CCN(Cc2cc(F)cc(-c3cnc(N4CCOC(C(=O)N5CCOCC5)C4)c(F)c3)c2)CC1,DXLIYLNAWFZHBY-UHFFFAOYSA-N
-rxn:4:214838:227464,CCCCSc1ncc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)c(F)c2)cn1,QOFMYHUXYRXIFI-UHFFFAOYSA-N
-rxn:4:214853:222943,N#Cc1c(-c2ccc(F)c(S(=O)(=O)NC3CC3)c2)cccc1N1CCN(C2CCCC2)CC1,WMQVJIGOBSORGX-UHFFFAOYSA-N
-rxn:4:214874:223070,CC(C)(C)OC(=O)Nc1cc(-c2cnc(N3CCOC(C(=O)N4CCCCC4)C3)c(F)c2)cs1,WMXNUMOYSUSXDW-UHFFFAOYSA-N
-rxn:4:214874:227480,CCCOc1nccc(-c2cnc(N3CCOC(C(=O)N4CCCCC4)C3)c(F)c2)c1Cl,MRXSISWRGDTHPK-UHFFFAOYSA-N
-rxn:4:214875:226249,CCCCOc1cc(Cl)cc(-c2cnc(N3CCCC(C(=O)N4CCSCC4)C3)c(F)c2)c1,VONWUFIDBDPGCH-UHFFFAOYSA-N
-rxn:4:214882:222554,O=C(NCc1ccccc1)c1ccc(-c2ccc(N3CCC(C(=O)N4CCC(F)(F)CC4)CC3)nc2)cc1Cl,OCVHFSSMOYBZTI-UHFFFAOYSA-N
-rxn:4:214885:224846,CCC1CCC(c2ccc(-c3cnc(N4CCC(C(=O)N5CCC(F)(F)CC5)CC4)c(Cl)c3)cc2)CC1,GORBBISLMPJALX-UHFFFAOYSA-N
-rxn:4:214896:227881,CCCOc1ccc(-c2cnc(N3CCC(C(=O)N4CCC(F)(F)CC4)CC3)c(C)c2)cc1,XNAVTWWDJIHJIP-UHFFFAOYSA-N
-rxn:4:214899:223480,Cc1cc(-c2ccc(N3C(=O)CC(N4CCN(c5ccc(F)cc5)CC4)C3=O)cc2)cc(C)c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,YIAQTCATFZZONG-UHFFFAOYSA-N
-rxn:4:214899:224647,CC(C)(C)[Si](C)(C)Oc1ccc(F)c(-c2ccc(N3C(=O)CC(N4CCN(c5ccc(F)cc5)CC4)C3=O)cc2)c1,FXYIMKLGMYLFTE-UHFFFAOYSA-N
-rxn:4:215066:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2cnn3c2N(C(=O)OC(C)(C)C)CCC3)cc1,HLOFMUDMLFNABQ-UHFFFAOYSA-N
-rxn:4:215100:222912,CC(C)CNS(=O)(=O)c1ccc(-c2cnc3n2CCN(C(=O)OC(C)(C)C)CC3)cc1,PXFOMVNGGPPTOB-UHFFFAOYSA-N
-rxn:4:215109:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3c4c(nn3C)CCN(C(=O)OC(C)(C)C)C4)cc2)CC1,CUFGNYWKKLZECK-UHFFFAOYSA-N
-rxn:4:215148:224936,CC(C)(C)OC(=O)Cc1ccc(-c2ncc3n2CC(C)(C)N(C(=O)OC(C)(C)C)C3)cc1,IOUCMSSPWPILAK-UHFFFAOYSA-N
-rxn:4:215170:224651,CC(C)(C)[Si](C)(C)Oc1cccc(F)c1-c1cncc(C(=O)N2CC(N3C(=O)C4CC=CCC4C3=O)C2)c1,VGOAJWFYYVEZHV-UHFFFAOYSA-N
-rxn:4:215198:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2ccc3nc(N4CCOC(C(=O)N5CCOCC5)C4)sc3c2)cc1,HCPPPJGEEDWRMU-UHFFFAOYSA-N
-rxn:4:215232:223993,Cc1cc(-c2ccc3ccc(N4CCCC(C(=O)N5CCOCC5)C4)nc3c2)ccc1S(=O)(=O)N1CCN(C)CC1,BZWKNFOLDPCUDS-UHFFFAOYSA-N
-rxn:4:215300:225952,Cc1nc(N2CCOCC2)ncc1-c1ccc2c(c1)C1CC(c3ccco3)=NN1C1(CCN(Cc3ccccc3)CC1)O2,VRQJOPFFBFMPHJ-UHFFFAOYSA-N
-rxn:4:215301:222987,Cc1nc(C2CCNCC2)ccc1-c1ccc2c(c1)C1CC(c3ccccc3)=NN1C1(CCN(Cc3ccccc3)CC1)O2,AIDARZNRDXODJT-UHFFFAOYSA-N
-rxn:4:215305:223501,COC(=O)Cn1c2ccc(-c3ccc(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c(Cl)c3)cc2c2nc3ccccc3nc21,AZXWZHYEUUYBMU-UHFFFAOYSA-N
-rxn:4:215708:223787,CN1CCN(CCCOc2ccc(-c3cnc(C(=O)N4CCOCC4)nc3)cc2F)CC1,IUVQUOCMZFJXAL-UHFFFAOYSA-N
-rxn:4:215772:223593,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cncc(N4CCC(C#N)CC4)c3)cc2Cl)CC1,PIFBEVGDSRBNLR-UHFFFAOYSA-N
-rxn:4:215772:223595,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cncc(N4CCC(C#N)CC4)c3)cc2F)CC1,BSPZCQSNEIIMJX-UHFFFAOYSA-N
-rxn:4:215802:222514,COc1ccc(-c2cnc(N3CCC(C(F)(F)F)CC3)nc2)cc1S(=O)(=O)NC1CCCCC1,KXXIHZBLFHQVEY-UHFFFAOYSA-N
-rxn:4:215819:223712,COc1ccc(-c2cc(N3CCCC3)nc(C3CC3)n2)cc1C12CC3CC(CC(C3)C1)C2,KDFVKYNMACDKDE-UHFFFAOYSA-N
-rxn:4:215906:222514,COc1ccc(-c2cncc(S(=O)(=O)N3CCN(C)CC3)c2)cc1S(=O)(=O)NC1CCCCC1,XCTHDFYXNDRKJG-UHFFFAOYSA-N
-rxn:4:215912:223998,CC1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCN(S(C)(=O)=O)CC4)c(Cl)c3)cc2F)CC1,VUSAVBBNTYOZOY-UHFFFAOYSA-N
-rxn:4:215944:223997,Cc1cc(-c2cccc(N3CCC(N(C)C)CC3)n2)cc(C)c1S(=O)(=O)N1CCOCC1,JZTYEXXEADDXLQ-UHFFFAOYSA-N
-rxn:4:215950:223491,CCN1CCN(c2ncc(C)cc2-c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)cc(C(F)(F)F)c2)CC1,ZMTYQSMOTYYFJM-UHFFFAOYSA-N
-rxn:4:215956:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3cncc(N4CCC(N(C)C)CC4)c3)cc2)CC1,JHLTYWGHCIFUBW-UHFFFAOYSA-N
-rxn:4:215961:223658,CN1CCN(c2ccc(S(N)(=O)=O)cc2-c2ccc(S(=O)(=O)N3CCOCC3)c3ccccc23)CC1,FNAAOMVEICMRIB-UHFFFAOYSA-N
-rxn:4:215961:224325,CN1CCN(c2ccc(S(N)(=O)=O)cc2-c2ccc(C3=CCN(S(C)(=O)=O)CC3)cc2)CC1,REBDTIHTPLJQIL-UHFFFAOYSA-N
-rxn:4:215989:225794,CN1CCN(C2CCN(c3ccc(-c4cnc(OC5CCCCC5)nc4)cc3)CC2)CC1,NRCNFAQFKHEJBF-UHFFFAOYSA-N
-rxn:4:216060:223697,O=[N+]([O-])c1c(-c2ccc(S(=O)(=O)N3CCCCC3)cc2C(F)(F)F)ccc2[nH]c(C(F)(F)F)nc12,CPADCEDCCTUQTF-UHFFFAOYSA-N
-rxn:4:216319:223023,Cc1cc(C)n(C(=O)C2=C3CCCN3c3cc(-c4ccc(CNC(=O)N(C)C)cc4)ccc3S2(=O)=O)n1,QIIGHCUSOLDLGE-UHFFFAOYSA-N
-rxn:4:216351:223985,CCC(=O)N1CCc2c([nH]c3ccccc23)C12C(=O)N(C)c1ccc(-c3ccc(OC)c(S(=O)(=O)N4CCCCC4)c3)cc12,GMWPMOMPXJZQBE-UHFFFAOYSA-N
-rxn:4:217889:224571,CC(C)N1CCN(c2ccc(-c3cnc(N4C5CCC4CC(=C4CC4)C5)nc3)cc2)CC1,PSMGUSNOBQTSOI-UHFFFAOYSA-N
-rxn:4:217902:222589,CC1(C)CC(C)(C)c2c1c([N+](=O)[O-])c1cn[nH]c1c2-c1ccc(OCCN2CCC(O)CC2)c(Cl)c1,XSAGPNVUUJVUTJ-UHFFFAOYSA-N
-rxn:4:217905:224458,Cc1ccc(C2=NN3C(C2)c2cc(-c4ccc(C(C)N5CCC(C)CC5)cc4)ccc2OC32CCN(C)CC2)o1,STKRFXBCSSYQBY-UHFFFAOYSA-N
-rxn:4:217905:225711,COC(COc1ccc(-c2ccc3c(c2)C2CC(c4ccc(C)o4)=NN2C2(CCN(C)CC2)O3)cc1)OC,QJPAJWPCBMUXGI-UHFFFAOYSA-N
-rxn:4:217906:225979,CN1CCC2(CC1)Oc1ccc(-c3cnc(N4CCOCC4)c(Cl)c3)cc1C1CC(c3ccccc3)=NN12,GIJGAEKPGBTATD-UHFFFAOYSA-N
-rxn:4:218584:222751,Cc1ccc(-c2cnc(OCC3CCCN(Cc4ccc(C#N)cc4)C3)nc2)cc1NC(=O)OC(C)(C)C,QKNIOYZXZACGFT-UHFFFAOYSA-N
-rxn:4:218584:224320,Cc1ccc(S(=O)(=O)N2CCCCC2)cc1-c1cnc(OCC2CCCN(Cc3ccc(C#N)cc3)C2)nc1,RWMABUIQWBFOAF-UHFFFAOYSA-N
-rxn:4:218587:222630,N#Cc1ccc(S(=O)(=O)N2CCC(COc3ncc(-c4cc(C5CCC5)nc(C5CCNCC5)c4)cn3)CC2)cc1,HPHBJCIUQWENIR-UHFFFAOYSA-N
-rxn:4:218589:225265,CCCCOc1c(F)cc(F)c(-c2cnc(OCC3CCCN(S(=O)(=O)c4ccc(C#N)cc4)C3)nc2)c1F,MORMMZIESQJKEA-UHFFFAOYSA-N
-rxn:4:218600:223505,CC(C)(C)OC(=O)N1CCN(CCn2cc(-c3ccc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)cc3)cn2)CC1,YUWPKGANZYXRDA-UHFFFAOYSA-N
-rxn:4:218606:224010,COc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1cnc(OCC2CCCN(C(=O)c3cccnc3OC)C2)nc1,VYXPGSKIRKKFQW-UHFFFAOYSA-N
-rxn:4:218631:222817,COc1ccc(S(=O)(=O)NC2CC2)cc1-c1cnc(OCC2CCN(C3CCN(CC(F)(F)F)C3=O)CC2)nc1,KSNZKYYLBLJKLJ-UHFFFAOYSA-N
-rxn:4:218643:222585,O=C(NCCN1CCOCC1)c1ccccc1-c1cncc(C(=O)N2CCC(COc3ccc(C4CC4)nn3)CC2)c1,QITMZAQSWLIOMG-UHFFFAOYSA-N
-rxn:4:218675:226539,CCOC(=O)c1ccc(Cl)cc1-c1cncc(C(=O)N2CCC(COc3cc(C4CCC4)ncn3)CC2)c1,DFBOBNIAAOWHCH-UHFFFAOYSA-N
-rxn:4:218682:224689,CC(=O)N1CCC(C(=O)N2CCCC(COc3ncc(-c4ccc(C(=O)N5CCCCC5)cc4Cl)cn3)C2)CC1,IDJLTZCOMMWNLN-UHFFFAOYSA-N
-rxn:4:218705:225898,CC(Oc1ccc(Cl)cc1)C(=O)N1CCCN(c2cc(-c3ccc(-c4cnn(CCN5CCOCC5)c4)cc3)n[nH]2)CC1,LCQBKBIMPPRMDR-UHFFFAOYSA-N
-rxn:4:218710:222708,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(S(=O)(=O)NC(=O)CC(C)C)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,OHVIEPFFSWWAFX-UHFFFAOYSA-N
-rxn:4:218745:223812,O=C(Cn1c(=O)oc2ccccc21)N1CCCC(COc2ncc(-c3cc(F)cc(CN4CCC5(CC4)OCCO5)c3)cn2)C1,ALXKCRGAZDCQBS-UHFFFAOYSA-N
-rxn:4:218775:224434,O=C(CN1CCN(C(=O)Cn2ccc3cc(-c4ccc(COCc5ccccc5)cc4)ccc32)CC1)N1CCCCCC1,LSXMHAKPQGCFOR-UHFFFAOYSA-N
-rxn:4:218778:225176,Cc1cc(Cn2c(N3CC4(CN(C(=O)OC(C)(C)C)C4)C3)nc3c(-c4ccc(CN5CCOCC5)c(Cl)c4)cc(Cl)cc32)cc(C)c1F,QBWHASZKHPRBBK-UHFFFAOYSA-N
-rxn:4:218785:225984,CCSc1nnc2c(n1)OC(c1ccc(OC)c(OC)c1)N(C(C)=O)c1ccc(-c3cnc(Cl)c(N4CCOCC4)c3)cc1-2,ZPPWAKUEOQALTH-UHFFFAOYSA-N
-rxn:4:218786:222413,Cc1cc(S(N)(=O)=O)ccc1-c1cccc2c3c([nH]c12)CCN(C(=O)CCC(=O)N1CCN(S(C)(=O)=O)CC1)C3,FDERBHZJCVOKKH-UHFFFAOYSA-N
-rxn:4:218786:225239,CS(=O)(=O)N1CCN(C(=O)CCC(=O)N2CCc3[nH]c4c(-c5ccc(-c6ccccc6F)nc5F)cccc4c3C2)CC1,PAXQOWRFDDUBHJ-UHFFFAOYSA-N
-rxn:4:218787:222698,CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C2CCCCC2)c1=NC(=O)c1cccc(-c2ccc(C(=O)N3CCC(O)CC3)c(Cl)c2)c1,UTNABJOSBGXGEB-UHFFFAOYSA-N
-rxn:4:218788:224786,CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C2CCCCC2)c1=NC(=O)c1ccccc1-c1cc(C(F)(F)F)nc2ccc(F)cc12,QOOKFIBMRVKQLR-UHFFFAOYSA-N
-rxn:4:218824:222583,CN(CC1CN(c2ncc(-c3ccc(C(=O)NCCN4CCOCC4)cc3)cn2)C1)S(=O)(=O)C1CC1,PDHCKODGVJSUIB-UHFFFAOYSA-N
-rxn:4:218824:223696,CN(CC1CN(c2ncc(-c3ccc(S(=O)(=O)N4CCC5(CC4)OCCO5)cc3)cn2)C1)S(=O)(=O)C1CC1,OPWWPRWBUBHHTA-UHFFFAOYSA-N
-rxn:4:218867:224891,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3cc(N4CCCC4)ccc3C3CC3)c2)no1,FAEUZUPEUHZBPG-UHFFFAOYSA-N
-rxn:4:218867:225605,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3cc(C)cnc3OC3CCCC3)c2)no1,NMEYNIWQMGMGOF-UHFFFAOYSA-N
-rxn:4:218867:226324,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3cccnc3OC3CCCC3)c2)no1,FZSARADTHPYEJK-UHFFFAOYSA-N
-rxn:4:218867:226447,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3ccnc(C4CCOCC4)c3)c2)no1,FOHFDZKQAIOMAE-UHFFFAOYSA-N
-rxn:4:218888:222546,Cc1oncc1C(=O)N1CCCC(COc2ncc(-c3ccc(OCCNC4CCCCC4)c(F)c3)cn2)C1,FJWVDQLIWJCFDB-UHFFFAOYSA-N
-rxn:4:218897:223812,O=C(c1ccncc1F)N1CCCC(COc2ncc(-c3cc(F)cc(CN4CCC5(CC4)OCCO5)c3)cn2)C1,GFDMHJVRCLLNCL-UHFFFAOYSA-N
-rxn:4:218917:222724,CC(C)(C)OC(=O)N1CCN(C(=O)c2ncc(-c3cnc(N4CCNCC4)c(C(F)(F)F)c3)cn2)CC1,YHOIPJZXGSZHPA-UHFFFAOYSA-N
-rxn:4:218917:225877,CC(C)(C)OC(=O)N1CCN(C(=O)c2ncc(-c3ccc(Cl)cc3N3CCOCC3)cn2)CC1,LFQISUSZYQNRQM-UHFFFAOYSA-N
-rxn:4:218967:224609,COc1nn(C)cc1C(=O)N1CCC(Oc2ncccc2-c2cnccc2C(=O)N(C(C)C)C(C)C)CC1,ZAFDSQWVGWOLII-UHFFFAOYSA-N
-rxn:4:218971:222546,Cc1nc(C)c(C(=O)N2CCC(COc3ncc(-c4ccc(OCCNC5CCCCC5)c(F)c4)cn3)CC2)s1,CKWSJNJZVYJALY-UHFFFAOYSA-N
-rxn:4:218971:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnc(OCC4CCN(C(=O)c5sc(C)nc5C)CC4)nc3)c(F)c2)CC1,ZPQVUJXORTXPJW-YOCNBXQISA-N
-rxn:4:218976:222512,O=C(Nc1ccccc1)c1cc(-c2cnc(OC3CCN(C4CCN(CC(F)(F)F)C4=O)CC3)nc2)cc([N+](=O)[O-])c1,LTZRQWDNFFOHTG-UHFFFAOYSA-N
-rxn:4:218994:224759,Cc1nc(C)c(CN2CCCC(COc3ncc(-c4cc(F)cc(C(=O)N5CCOCC5)c4)cn3)C2)s1,REUKGSXPEXVYRM-UHFFFAOYSA-N
-rxn:4:218998:222634,O=C(N1CCOCC1)N1CCCC(COc2ncc(-c3ccc(OCCNC4CCCC4)c(F)c3)cn2)C1,XTKBXPILVJBGEJ-UHFFFAOYSA-N
-rxn:4:219046:224915,Cc1cc(N2CCCCC2C)ccc1-c1cnc(OCC2CCCN(C3CCN(C4CC4)C3=O)C2)nc1,NAVSVKKFYNQLAZ-UHFFFAOYSA-N
-rxn:4:219048:222522,COc1ccc(-c2ccc(S(=O)(=O)N3CCC(N(c4ccncn4)C4CC4)CC3)cc2)cc1S(=O)(=O)N1CCC(O)CC1,DWIWBPVXPRQAHL-UHFFFAOYSA-N
-rxn:4:219048:222848,CCc1cc(-c2ccc(S(=O)(=O)N3CCC(N(c4ccncn4)C4CC4)CC3)cc2)cc(C2CCCNC2)n1,NAPYZEYHBLHWEP-UHFFFAOYSA-N
-rxn:4:219048:223480,Cc1cc(-c2ccc(S(=O)(=O)N3CCC(N(c4ccncn4)C4CC4)CC3)cc2)cc(C)c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,DEYNMRFWFNPDQS-UHFFFAOYSA-N
-rxn:4:219072:223103,CC(C)(C)NS(=O)(=O)c1ccc(-c2cccc(-c3nnc(CC(=O)N4CCN(C5CCCCC5)CC4)o3)c2)s1,OGZJXZUWGNBEKH-UHFFFAOYSA-N
-rxn:4:219078:223257,CONC(=O)c1ccc(-c2ccccc2C(=O)N2CCN(c3ccc([N+](=O)[O-])c(N4CCOCC4)c3)CC2)cc1,PYOLHLAPFQFIKA-UHFFFAOYSA-N
-rxn:4:219125:225210,Cc1nc(N2CCC(C)CC2)ncc1-c1ccccc1CCC(=O)N1C2CCC1CC(n1nccn1)C2,SZYIZOXLCLSRND-UHFFFAOYSA-N
-rxn:4:219130:224668,CCN1CCN(c2cc(F)cc(-c3ccc(C(=O)N4CCN(Cc5nc6cc(OC)ccc6[nH]5)CC4)o3)c2)CC1,VOZOEWWYDVVFPI-UHFFFAOYSA-N
-rxn:4:219154:223926,O=C(CCn1ccc2cc(-c3ccc(CN4CCC5(CC4)OCCO5)cc3)ccc21)N1CCN(c2ccccn2)CC1,NZNYFTACNFKNKO-UHFFFAOYSA-N
-rxn:4:219221:223823,CC(C)(C)OC(=O)N1CCC(n2cc(-c3nc([N+](=O)[O-])nn3CC(=O)C(C)(C)C)cn2)CC1,HGRRNRXAMMNYNC-UHFFFAOYSA-N
-rxn:4:219244:223583,COC(=O)c1ccc2c(-c3ncnn3C3CN(C(=O)OC(C)(C)C)C3)cn(C(=O)OC(C)(C)C)c2c1,BFRWUOVMNUPSDQ-UHFFFAOYSA-N
-rxn:4:219253:223540,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1ccccc1C(=O)N1CC(Cn2ccnn2)C1,JWPZXXVTPDYGIG-UHFFFAOYSA-N
-rxn:4:219381:222546,CSc1ncc(-c2ccc(OCCNC3CCCCC3)c(F)c2)c(N2CCN(S(=O)(=O)C3CC3)CC2)n1,NGSXNVAJVSXSKG-UHFFFAOYSA-N
-rxn:4:219381:224807,CSc1ncc(-c2cc(C(F)(F)F)cc(OC(C)C)c2F)c(N2CCN(S(=O)(=O)C3CC3)CC2)n1,HUYBGNBAQXKCMR-UHFFFAOYSA-N
-rxn:4:219388:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1ccc(C(=O)N2CCCN(S(=O)(=O)c3c[nH]cn3)CC2)o1,KMGGBGKWCKFXPT-UHFFFAOYSA-N
-rxn:4:219404:225177,CC(C)(C)OC(=O)N1CCN(c2cncc(-c3ccc(CN4CCSCC4)c(F)c3)n2)CC1,CEVGWDGYTKAVML-UHFFFAOYSA-N
-rxn:4:219410:226502,CC(C)(C)OC(=O)n1ccc(-c2cnc(OC3CCN(S(=O)(=O)N4CCOCC4)C3)nc2)c1,LUWQIPRNPNTXER-UHFFFAOYSA-N
-rxn:4:219414:227500,CCN(C)c1ncc(-c2cnc(N3CCOC(C(=O)N4CCCC4)C3)c(C#N)c2)cc1Cl,PAGANQBCIMMDHN-UHFFFAOYSA-N
-rxn:4:219451:226240,COC(=O)CCc1ccc(-c2cn(C)nc2C(=O)N2CCCN(CC3CC3)CC2)cc1,WFJHESDUYJUEOB-UHFFFAOYSA-N
-rxn:4:219453:225877,CC(C)N1CCC(N2CC(Cn3cc(-c4ccc(Cl)cc4N4CCOCC4)cn3)C2)C1=O,LATNIJJMHHUROH-UHFFFAOYSA-N
-rxn:4:219464:223761,Cc1cccnc1OCC1CCN(c2ncc(-c3ccc(C4CCCN4C(=O)OC(C)(C)C)cc3)cn2)CC1,CRCUUNYSSYNFPY-UHFFFAOYSA-N
-rxn:4:219487:222539,CC(C)(C)OC(=O)NC1Cc2ccc(-c3cnc(N4CCCN(C(=O)OC(C)(C)C)CC4)cn3)cc2C1,VNKLBNHIMRDOBR-UHFFFAOYSA-N
-rxn:4:219494:223491,Cc1cc(N2CCC(Oc3ccncc3-c3cc(N4CCN(C(=O)OC(C)(C)C)CC4)cc(C(F)(F)F)c3)C2)nc(C2CC2)n1,BGYIKKFDHDZCPW-UHFFFAOYSA-N
-rxn:4:219497:222680,COc1c(NC(=O)OC(C)(C)C)cccc1-c1cnc(N2CCOC(C(=O)N3CCCCC3)C2)c(C#N)c1,XLLREISBCBFAEB-UHFFFAOYSA-N
-rxn:4:219501:222854,COc1ccc(C2CCCNC2)cc1-c1cnc(SC)nc1N1CCOC(C(=O)N2CCOCC2)C1,WHOIQPDOWILDOE-UHFFFAOYSA-N
-rxn:4:219501:226255,CCCCOc1ccc(Cl)cc1-c1cnc(SC)nc1N1CCOC(C(=O)N2CCOCC2)C1,XZFMOHJPHILFEX-UHFFFAOYSA-N
-rxn:4:219534:225889,C[Si](C)(C)CCOCn1nccc1-c1cncc(C(=O)N2CCC(n3nc(C4CC4)ccc3=O)CC2)c1,SPTPUKPCNXWAOO-UHFFFAOYSA-N
-rxn:4:219537:223834,Cc1cc(-c2ccccc2S(=O)(=O)N2CCN(c3ccc(C4CC4)nn3)CC2)cc(C)c1S(=O)(=O)N1CCN(C)CC1,IOTUELXACBEELV-UHFFFAOYSA-N
-rxn:4:219553:226231,CCCCOc1ncc(-c2ccc(Cl)c(C(=O)N3CCC(c4nn(C)c(=O)n4C4CC4)CC3)c2)cc1C,QANRMKKIRXAVAT-UHFFFAOYSA-N
-rxn:4:219559:226232,Cc1nn(C)c(C)c1S(=O)(=O)N1CCCN(C(=O)c2ccc(-c3cccc(OCCN(C)C)c3)o2)CC1,AZCZLGNLHLUMLI-UHFFFAOYSA-N
-rxn:4:219565:225048,Cc1cc(C)c(C#N)c(N2CCCN(S(=O)(=O)c3ccc(-c4ccc(N5CCN(C)CC5)cc4C)cc3)CC2)n1,MTJLYFCMCOXQHI-UHFFFAOYSA-N
-rxn:4:219638:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2ccc3c(C4CCCN4C(=O)OC(C)(C)C)nnn3c2)cc1,AGIVBWPENPLJBS-UHFFFAOYSA-N
-rxn:4:219639:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3ccc4nc(C5CCN(C(=O)OC(C)(C)C)C5)nn4c3)cc21,HQHSGDVRYOZKKK-UHFFFAOYSA-N
-rxn:4:219651:223823,COc1ccc(-c2cnn(C3CCN(C(=O)OC(C)(C)C)CC3)c2)c(CN2N=NC3C(=O)N(c4ccc(F)cc4)C(=O)C32)c1,VNJOVNPQSXHHCR-UHFFFAOYSA-N
-rxn:4:219654:224672,CCN1CCN(c2ccc(-c3cc4c(N5CCN(C(=O)OC(C)(C)C)CC5)ncnc4s3)c(Cl)c2)CC1,DIAHIWLJQHBHLC-UHFFFAOYSA-N
-rxn:4:219654:224757,CC(C)(C)OC(=O)N1CCN(c2ncnc3sc(-c4cc(Cl)cc(C(=O)N5CCOCC5)c4)cc23)CC1,DCYDRMVISHKILW-UHFFFAOYSA-N
-rxn:4:219689:223064,CC(C)(C)OC(=O)N1CCN(c2ccc3ncc(-c4ccc(C5CCNCC5)nc4F)n3c2)CC1,CWACKYIWSZOWAQ-UHFFFAOYSA-N
-rxn:4:219716:222838,Cc1cc(N2CC3CN(C(=O)Cc4ccc(-c5ccc(CNC(=O)C(C)(C)C)cc5)cc4)CC3C2)ncn1,AVLYDZGCAAOLFQ-UHFFFAOYSA-N
-rxn:4:219716:223506,Cc1cc(N2CC3CN(C(=O)Cc4ccc(-c5cccc(S(=O)(=O)N6CCN(C(=O)OC(C)(C)C)CC6)c5)cc4)CC3C2)ncn1,FZPCDIXYSHZDAU-UHFFFAOYSA-N
-rxn:4:219762:224215,CC(=O)C1=C(c2ccc(-c3ccc(OCc4ccccc4F)c(Cl)c3)cc2)N(C(C)=O)n2c(nnc2C2CCCCC2)S1,PJXXBOOMTKHVQP-UHFFFAOYSA-N
-rxn:4:219778:222797,CCn1cc(-c2nc(-c3ccc(-c4cc(C)ccc4S(=O)(=O)NC(C)(C)C)cc3)no2)c(=O)c2cc(F)c(N3CCC(C)CC3)cc21,BHZYHHGRIKJKEB-UHFFFAOYSA-N
-rxn:4:219780:224299,CC(=O)N1CCc2c(c(N3CCCc4cc(-c5cc([N+](=O)[O-])ccc5[Se]c5ccccc5)c(C(F)F)cc43)nn2C2CCOCC2)C1,UNRUTIFXCHDBJC-UHFFFAOYSA-N
-rxn:4:219909:223602,Cn1cnc(N2CCC(Oc3ccncc3-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3Cl)C2)cc1=O,YUHLTSMSUKYSNP-UHFFFAOYSA-N
-rxn:4:219934:222584,O=C(C1CN(c2ncc(-c3ccc(OCCCN4CCNCC4)c(F)c3)cn2)CCO1)N1CCCC1,VMOUFUKXZSQHBF-UHFFFAOYSA-N
-rxn:4:220158:224320,Cc1ccc(S(=O)(=O)N2CCCCC2)cc1-c1ccccc1S(=O)(=O)N1CC2CN(c3cnccn3)CC2C1,OXIMWLGMOFKUNH-UHFFFAOYSA-N
-rxn:4:220205:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc4nc(N5CCOC(C(=O)N6CCOCC6)C5)ncc4c3)c(F)c2)CC1,KJKQWCXPRFILJY-WPEWUVLHSA-N
-rxn:4:220225:222584,O=C(C1CCCN(c2ncnc3ccc(-c4ccc(OCCCN5CCNCC5)c(F)c4)cc23)C1)N1CCOCC1,JYAXLGUNPRSIAW-UHFFFAOYSA-N
-rxn:4:220937:223593,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc4nc(N5CCOCC5)nn4c3)cc2Cl)CC1,HHPMOXLPOIYDMO-UHFFFAOYSA-N
-rxn:4:220937:223595,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc4nc(N5CCOCC5)nn4c3)cc2F)CC1,XVBVXJYCOTZIRH-UHFFFAOYSA-N
-rxn:4:220937:223596,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)ccc2-c2ccc3nc(N4CCOCC4)nn3c2)CC1,VHZXNWUWHGTDBW-UHFFFAOYSA-N
-rxn:4:221107:224619,Cc1ncn(CC(=O)N2CCCC(COc3ncc(-c4ccc(OCCN5CCCC5)c(F)c4)cn3)C2)c(=O)c1C,LRYRVFSFBRWRDG-UHFFFAOYSA-N
-rxn:4:221110:228373,CN1CCN(CC#CCOC2CCN(c3ncc(-c4ccc(Cl)c(C#N)c4F)cn3)CC2)CC1,YKEZPQMKFCSHRU-UHFFFAOYSA-N
-rxn:4:221115:223170,CCOc1ccc(-c2cnc(C3CCCNC3)nc2)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N3CCOCC3)n2)CC1,XRXSHZKJZMWKAT-UHFFFAOYSA-N
-rxn:4:221115:225317,CCOc1ccc(-c2cc(F)nc(-c3cccc(F)n3)c2)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N3CCOCC3)n2)CC1,IIZWEHWFPNZMNC-UHFFFAOYSA-N
-rxn:4:221115:225966,CCOc1ccc(-c2cn(-c3ccnc(F)c3)nc2C)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N3CCOCC3)n2)CC1,JUXXNWLQDWIBTQ-UHFFFAOYSA-N
-rxn:4:221127:224969,CCOC(=O)C1CCN(c2nc3c(S(=O)(=O)c4ccc(-c5ccc(C(=O)OC(C)(C)C)c(C)c5)cc4)nnn3c3ccsc23)CC1,OXTMKPGHNJYQGB-UHFFFAOYSA-N
-rxn:4:221169:222723,Cn1cc(S(=O)(=O)N2CCCC(COc3ncc(-c4cccc(NS(=O)(=O)N5CCOCC5)c4)cn3)C2)cn1,KQIPUUDCHKCOAR-UHFFFAOYSA-N
-rxn:4:221172:222634,Cn1nc(C(=O)N2CCC(COc3ncc(-c4ccc(OCCNC5CCCC5)c(F)c4)cn3)CC2)ccc1=O,GXQZIKYQNVDBJU-UHFFFAOYSA-N
-rxn:4:221175:222542,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4ccc(C)c(OCCCN5CCNCC5)c4)cn3)C2)C(=O)C1=O,XACYMLREJBBNHI-UHFFFAOYSA-N
-rxn:4:221205:223929,CC(C)(C)OC(=O)N1CCc2cc(-c3ccc(CCN4CCN(c5ccnc(N6CCOCC6)n5)CC4)cc3)cnc2C1,IKPNWOBURPIMHN-UHFFFAOYSA-N
-rxn:4:221205:224773,Cc1cc(-c2ccc(CCN3CCN(c4ccnc(N5CCOCC5)n4)CC3)cc2)ccc1S(=O)(=O)N1CCCC1,DLVRCMCMHZWSGA-UHFFFAOYSA-N
-rxn:4:221232:225172,N#Cc1cc2c(nc1N1CCCC(COc3ncc(-c4cc(CN5CCOCC5)ccc4F)cn3)C1)CCOC2,WRRMCUJCRNFITA-UHFFFAOYSA-N
-rxn:4:221240:225738,CCCCOc1cc(F)c(-c2cnc(OCC3CCCN(Cc4c5c(nn4C)CCC5)C3)nc2)cc1F,IPYMRKAOZBVTLB-UHFFFAOYSA-N
-rxn:4:221263:225977,CCOC(=O)Cn1c(=O)c2c(nc3n2CCCN3c2ccc(-c3cc(Cl)cnc3N3CCOCC3)cc2)n(C)c1=O,KQRCWZIUEDVXIG-UHFFFAOYSA-N
-rxn:4:221272:223094,CCCCCn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3ccc([N+](=O)[O-])c(NC(C)=O)c3)cc2)n(C)c1=O,LTBUDNHOLICDBA-UHFFFAOYSA-N
-rxn:4:221330:223640,CCOC12C(=O)c3cc(F)cc(-c4cnc(SC)nc4N4CC(Cn5ccnc5C)C4)c3C(=O)C1C2(C)C,VLGMWXFMESYVQZ-UHFFFAOYSA-N
-rxn:4:221357:223582,COC(=O)c1ccc2cc(-c3cnn(CC4CN(c5cc(C6CCC6)ncn5)C4)c3)n(C(=O)OC(C)(C)C)c2c1,VQRRBAFDDCLFMD-UHFFFAOYSA-N
-rxn:4:221360:223892,CN1CCN(CCCOc2ccc(-c3cnc(OC4CCCN(S(=O)(=O)c5cn(C)cn5)C4)nc3)cc2)CC1,MUZVGKJBWYOTHQ-UHFFFAOYSA-N
-rxn:4:221393:224321,CC1CCN(S(=O)(=O)c2cccc(-c3cncc(C(=O)N4CCCN(S(=O)(=O)c5cnn(C)c5)CC4)c3)c2)CC1,VEHDXAWBLVOIDT-UHFFFAOYSA-N
-rxn:4:221401:223506,CN(C)c1ccnc(N2CCN(Cc3cccc(-c4cccc(S(=O)(=O)N5CCN(C(=O)OC(C)(C)C)CC5)c4)c3)CC2)n1,SGVWQPUDRYYURJ-UHFFFAOYSA-N
-rxn:4:221421:226303,CCCC(=O)c1ccc(Cl)c(-c2cccc(C(=O)N3CCN(c4ccc(N5CCOCC5)nn4)CC3)c2)c1,MGBMWNJNLQBNEN-UHFFFAOYSA-N
-rxn:4:221422:226231,CCCCOc1ncc(-c2ccc(Cl)c(C(=O)N3CCN(c4ccc(N5CCOCC5)nn4)CC3)c2)cc1C,LJAWBGBFEWXSER-UHFFFAOYSA-N
-rxn:4:221432:222695,Cc1cc(N2CCCC2)nc(N2CCN(C(=O)c3cccc(-c4ccc(C)c(S(=O)(=O)NC5CCCC5)c4)c3)CC2)n1,AVZYXNQZVVPJID-UHFFFAOYSA-N
-rxn:4:221446:223919,Cc1cc(N2CCOCC2)nc(N2CCN(Cc3ccc(-c4ccc(C(=O)N(C)C5CCCCC5)c(Cl)c4)cc3)CC2)n1,GCIOXGYVAPGTJB-UHFFFAOYSA-N
-rxn:4:221447:223096,CC(=O)Nc1ccc([N+](=O)[O-])c(-c2ccc(CN3CCN(c4cc(C)nc(N5CCOCC5)n4)CC3)cc2)c1,ZDRIJBQUOUIQLX-UHFFFAOYSA-N
-rxn:4:221453:222466,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4cc(C5CCCCC5)nc(C5CCNCC5)c4)cc3)CC2)n1,NAPGTNOPRRNRGH-UHFFFAOYSA-N
-rxn:4:221456:223120,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccc(C(=O)NC5CC5)c4)cc3)CC2)n1,WAIWELGVZQQLET-UHFFFAOYSA-N
-rxn:4:221498:224664,CN1CCN(Cc2cc(F)cc(-c3c[nH]c4ncnc(N5CCN(C(=O)OC(C)(C)C)CC5)c34)c2)CC1,ZOKSUPBPJSKDEG-UHFFFAOYSA-N
-rxn:4:221498:224672,CCN1CCN(c2ccc(-c3c[nH]c4ncnc(N5CCN(C(=O)OC(C)(C)C)CC5)c34)c(Cl)c2)CC1,FTYXUBBVUUQWEK-UHFFFAOYSA-N
-rxn:4:221507:223532,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)cc(-c3cnc(OCC4CCCN(c5ncnc6c5CCC6)C4)nc3)c2)CC1,VTTVBBVNKHTBKH-UHFFFAOYSA-N
-rxn:4:221507:224825,CON(C)C(=O)c1cc(-c2cnc(OCC3CCCN(c4ncnc5c4CCC5)C3)nc2)cc([N+](=O)[O-])c1,PUNDZVYFIKKBRY-UHFFFAOYSA-N
-rxn:4:221520:222573,O=C(NCC1CCCCC1)c1cc(F)cc(-c2cnc(N3CCC(COc4cc5c(nn4)CCCC5)CC3)nc2)c1,LZYKSUVRIJOCLZ-UHFFFAOYSA-N
-rxn:4:221522:223534,COc1ccc2c(=O)n(CC3CCN(c4ncc(-c5cc(OC6CCN(C(=O)OC(C)(C)C)CC6)ncc5F)cn4)CC3)cnc2c1,VXDNNGAFNYEIEW-UHFFFAOYSA-N
-rxn:4:221547:224337,COCCn1c(=O)c2c(nc3n2CCCN3c2ccc(-c3cnc(C(F)(F)F)c(C4CCCCC4)c3)cc2)n(C)c1=O,VAOOGTFSDRZZBB-UHFFFAOYSA-N
-rxn:4:221641:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3cnc(N4CCC(n5nc(C6CC6)ccc5=O)CC4)nc3)cc21,IBOICLVEPIQJND-UHFFFAOYSA-N
-rxn:4:221642:227517,O=C1CN(C2CCN(c3ncc(-c4ccc(OC5COC5)nc4)cn3)CC2)C(=O)N1C1CC1,XHKBAFOOCUYJEX-UHFFFAOYSA-N
-rxn:4:221692:223504,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnn(CC4CN(c5ncnc6c5CCCC6)C4)c3)cc2[N+](=O)[O-])CC1,ZDDGGJHGYLNCOY-UHFFFAOYSA-N
-rxn:4:221720:223845,CN1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2cncc(C(=O)N3CCC(n4cnc5ncccc5c4=O)CC3)c2)CC1,NSLPRJFWJRWYOX-UHFFFAOYSA-N
-rxn:4:221726:222819,CN(C1=NS(=O)(=O)c2ccccc21)C1CCN(c2ncc(-c3ccc(NC(=O)N4CCOCC4)nc3)cn2)CC1,GJZWSQXNYHWOMQ-UHFFFAOYSA-N
-rxn:4:221726:225010,CN(C1=NS(=O)(=O)c2ccccc21)C1CCN(c2ncc(-c3ccc(F)c(CN4CCCCC4)c3)cn2)CC1,MTSFSOQRJCTPBO-UHFFFAOYSA-N
-rxn:4:221740:224290,CC(=O)Cn1c(=O)c2c(nc3n2CCCN3c2ccc(-c3ccc(Cl)cc3OCCN3CCOCC3)cc2)n(C)c1=O,FGGGSXSZNPLAFH-UHFFFAOYSA-N
-rxn:4:221853:223595,CCn1c(=O)c2c(nc3n(-c4ccc(-c5ccc(N6CCN(C(=O)OC(C)(C)C)CC6)c(F)c5)cc4)c(C)c(C)n23)n(C)c1=O,PEYIBACUFXSTFP-UHFFFAOYSA-N
-rxn:4:221920:224949,CCOc1ccc(-c2ccc(OC)c(CN3CCCC3)c2)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N3CCN(C)CC3)n2)CC1,OAQVPYBATSGVOD-UHFFFAOYSA-N
-rxn:4:221938:222828,Cn1cc(C(=O)N2CCCC(COc3ncc(-c4cc(F)c(F)cc4S(=O)(=O)NC4CC4)cn3)C2)nn1,VETXOBDGIPQIJZ-UHFFFAOYSA-N
-rxn:4:221943:225562,CC(C)(C)OCc1cc(-c2cncc(C(=O)N3CC(n4cc(CN5CCCC5=O)nn4)C3)c2)ccc1F,XQOMMXIZNLOILX-UHFFFAOYSA-N
-rxn:4:221965:225877,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(Cl)cc5N5CCOCC5)cc4)CC3)nn2)CC1,IJQKBFFCJMHEBV-UHFFFAOYSA-N
-rxn:4:221971:222836,CC(C)(C)CC(=O)Nc1ccc(-c2cnc(OCC3CCN(Cc4nnc5n4CCC5)CC3)nc2)cc1,JKTPBSCCJOJLHA-UHFFFAOYSA-N
-rxn:4:221985:225984,Cn1cc(-c2nc3cnc(-c4cnc(Cl)c(N5CCOCC5)c4)cc3n2[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cn1,FJDCYIJRTRMQKO-OAQYLSRUSA-N
-rxn:4:222015:223493,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccc(C(=O)N2CCN(c3cc(-n4ccnc4C)ncn3)CC2)o1,DJYUKVVDPIYILM-UHFFFAOYSA-N
-rxn:4:222044:222723,Cc1ccn(-c2ccc(N3CCN(S(=O)(=O)c4ccc(-c5cccc(NS(=O)(=O)N6CCOCC6)c5)cc4)CC3)nn2)n1,DGRPPZJGUYSXNO-UHFFFAOYSA-N
-rxn:4:222045:222723,Cc1ccn(-c2ccc(N3CCN(S(=O)(=O)c4cccc(-c5cccc(NS(=O)(=O)N6CCOCC6)c5)c4)CC3)nn2)n1,DCVXNMFHZPIIKF-UHFFFAOYSA-N
-rxn:4:222054:222890,COc1cc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCN(C)CC5)nn4)CC3)o2)cc(C2CCCNC2)n1,NQHWCZHTGNVFBZ-UHFFFAOYSA-N
-rxn:4:222062:223118,CCCC(=O)Nc1cccc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCN(C)CC5)n4)CC3)cc2)c1,RYAROTQJFQPDOZ-UHFFFAOYSA-N
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-rxn:5:178295:226069:228789,COC(=O)C1(c2cc(-c3ccc(F)cc3OC)ccc2-c2cccc(C3CCCCC3)c2)CCC(=O)CC1,SSAKCUPQAHKIDJ-UHFFFAOYSA-N
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-rxn:5:178295:227103:227810,CCC(C)c1ccc(-c2ccc(-c3sccc3C3CCCCC3)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc1,BSNXRDWPPVIBGD-UHFFFAOYSA-N
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-rxn:5:178295:227124:227312,CCC(C)c1ccc(-c2ccc(-c3ccc(C(C)(C)C)cc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)n1,ZWBJTPFZMWLOMP-UHFFFAOYSA-N
-rxn:5:178295:227341:227935,CCc1cc(-c2ccc(-c3cccc(OC(C)C)c3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)ccc1OC,DGHNZGCKDPWLIN-UHFFFAOYSA-N
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-rxn:5:178295:227591:227309,CCC(C)c1cc(-c2ccc(-c3ccc(C(F)F)cc3OC)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc(F)n1,ZVMPVUKNJIALIR-UHFFFAOYSA-N
-rxn:5:178295:227706:227045,COC(=O)C1(c2cc(-c3cccc(SC(C)(C)C)c3)ccc2-c2cc(OC)cnc2C(F)F)CCC(=O)CC1,IYUXPIBCKSTIHP-UHFFFAOYSA-N
-rxn:5:178295:227810:227038,CCC(C)c1ccc(-c2ccc(-c3cc(C(C)C)ccc3OC)cc2C2(C(=O)OC)CCC(=O)CC2)cc1,KROPMQIMYJVVIB-UHFFFAOYSA-N
-rxn:5:178295:227810:227588,CCC(C)c1ccc(-c2ccc(-c3c(OC)cc(F)cc3OC)cc2C2(C(=O)OC)CCC(=O)CC2)cc1,HNPIHODLEVRLDS-UHFFFAOYSA-N
-rxn:5:178295:227821:225498,CCc1c(C)cc(C)cc1-c1ccc(-c2cc(C3CCCCC3)ccc2F)cc1C1(C(=O)OC)CCC(=O)CC1,MWJZKJBXBWIGNT-UHFFFAOYSA-N
-rxn:5:178295:228003:227568,COC(=O)C1(c2cc(-c3c(F)cc(OC)cc3OC)ccc2-c2c(C)cc(SC)cc2C)CCC(=O)CC1,NEKCZHZSSBIASW-UHFFFAOYSA-N
-rxn:5:178295:228182:227525,CCc1cnc(C(F)F)cc1-c1ccc(-c2cccc(CC(F)F)c2)c(C2(C(=O)OC)CCC(=O)CC2)c1,YFFNMMNBONOURB-UHFFFAOYSA-N
-rxn:5:178295:228186:227568,COC(=O)C1(c2cc(-c3c(F)cc(OC)cc3OC)ccc2-c2cccc(SC)c2OC)CCC(=O)CC1,DADNXTBUMOXNDN-UHFFFAOYSA-N
-rxn:5:178295:228189:227362,CCOc1cc(C)cc(F)c1-c1ccc(-c2cc(SCC)ccc2F)c(C2(C(=O)OC)CCC(=O)CC2)c1,ODAKBBDJWFSHNE-UHFFFAOYSA-N
-rxn:5:178295:228195:227052,COC(=O)C1(c2cc(-c3ccc(SC(C)(C)C)cc3)ccc2-c2cn(C(C)(C)C)nc2C)CCC(=O)CC1,JGINTNTYNNSOEZ-UHFFFAOYSA-N
-rxn:5:178295:228258:228002,COC(=O)C1(c2cc(-c3sccc3C3CCCC3)ccc2-c2c(C)ccc(F)c2OC)CCC(=O)CC1,YTIHRJNUDAVLCB-UHFFFAOYSA-N
-rxn:5:178295:228428:227534,CCOc1cc(F)c(-c2ccc(-c3cc(OC)cc(F)c3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)c1,HNMBTCSWNMTEPS-UHFFFAOYSA-N
-rxn:5:178295:228431:226920,COC(=O)C1(c2cc(-c3cc(C(C)(C)C)ccc3C)ccc2-c2cc(F)cc(F)c2SC)CCC(=O)CC1,DENXFDOFJFRWEW-UHFFFAOYSA-N
-rxn:5:178295:228517:226603,CC#Cc1ccccc1-c1ccc(-c2cc(C(=O)OC)cc(F)c2C)cc1C1(C(=O)OC)CCC(=O)CC1,JWNYRPOFYTWAJT-UHFFFAOYSA-N
-rxn:5:178295:228558:226189,CCSc1cccc(-c2ccc(-c3ccc(C4CCCC4)c(F)c3)cc2C2(C(=O)OC)CCC(=O)CC2)c1,KOUIHZABZRAQRI-UHFFFAOYSA-N
-rxn:5:178295:228562:226968,CCC(C)c1csc(-c2ccc(-c3ccc4c(c3)OC(C)(C)C4)cc2C2(C(=O)OC)CCC(=O)CC2)c1,AXMYRSXEONQIME-UHFFFAOYSA-N
-rxn:5:178295:228562:227106,CCC(C)c1csc(-c2ccc(-c3cc(C4CC4)c(C)cc3F)cc2C2(C(=O)OC)CCC(=O)CC2)c1,XUWROQXZRVJPGY-UHFFFAOYSA-N
-rxn:5:178295:228567:226061,CCC(C)c1sccc1-c1ccc(-c2cc(C(C)C)cc(C3CC3)c2)cc1C1(C(=O)OC)CCC(=O)CC1,YNQTWRHHPZKUGF-UHFFFAOYSA-N
-rxn:5:178295:228762:226761,CCn1cc(-c2ccc(-c3ccc(SC)cc3C(F)(F)F)cc2C2(C(=O)OC)CCC(=O)CC2)ccc1=O,KOGUWBNFLOWKEL-UHFFFAOYSA-N
-rxn:5:178295:228965:223062,COC(=O)C1(c2cc(-c3cnc(C4CCNCC4)cc3F)ccc2-c2ccc([N+](=O)[O-])nc2)CCC(=O)CC1,DMIRTEFHTFXMOI-UHFFFAOYSA-N
-rxn:5:178295:229204:225498,CCc1sccc1-c1ccc(-c2cc(C3CCCCC3)ccc2F)cc1C1(C(=O)OC)CCC(=O)CC1,VZCCAWQOSUIKMW-UHFFFAOYSA-N
-rxn:5:178313:222987:226438,Cc1nc(C2CCNCC2)ccc1-c1ccc(O[Si](C)(C)C(C)(C)C)cc1-c1cnc(C2CCCC2)cc1F,RKAZFPYQSXWVIP-UHFFFAOYSA-N
-rxn:5:178313:225453:225499,CC(C)(C)[Si](C)(C)Oc1ccc(-c2cccc(SC3CCCCC3)c2)c(-c2ccc(C3CCCCC3)cc2F)c1,LXJQRRACBITNIS-UHFFFAOYSA-N
-rxn:5:178313:226069:226155,CC(=O)c1cc(-c2cc(O[Si](C)(C)C(C)(C)C)ccc2-c2cccc(C3CCCCC3)c2)cc(C2CC2)c1,VQKFEDJRDNLFKX-UHFFFAOYSA-N
-rxn:5:178314:223138:225833,CC(C)(C)[Si](C)(C)Oc1cc(-c2ccnc(C3CCNCC3)c2)ccc1-c1ccnc(N2CCCCC2)c1F,MDERZCAVPMVZEH-UHFFFAOYSA-N
-rxn:5:178314:225453:227047,CC(C)(C)[Si](C)(C)Oc1cc(-c2cccc(SC3CCCCC3)c2)ccc1-c1cccc(SC2CCC2)c1,KEKPYTZGHMRPQS-UHFFFAOYSA-N
-rxn:5:178314:226060:225450,CC(C)(C)[Si](C)(C)Oc1cc(-c2cc(C3CC3)cc(C3CC3)c2)ccc1-c1ccc(C(=O)C2CCCC2)cc1,KDTZRJQDXNUKKW-UHFFFAOYSA-N
-rxn:5:178314:226901:225924,Cc1cc(S(=O)(=O)N(C)C)ccc1-c1ccc(-c2cccc(S(F)(F)(F)(F)F)c2)cc1O[Si](C)(C)C(C)(C)C,PXIANHHOCLVLCU-UHFFFAOYSA-N
-rxn:5:178314:227108:225451,CC(C)(C)[Si](C)(C)Oc1cc(-c2cc(C3CCC3)ccc2F)ccc1-c1ccc(SC2CCCCC2)cc1,CSDRBYLIZKIBSC-UHFFFAOYSA-N
-rxn:5:178315:222988:225600,Cc1cc(-c2cc(O[Si](C)(C)C(C)(C)C)cc(-c3cccnc3OC3CCCCC3)c2)cc(C2CCNCC2)n1,VNFXZWGGECARAO-UHFFFAOYSA-N
-rxn:5:178315:225451:228002,CC(C)(C)[Si](C)(C)Oc1cc(-c2ccc(SC3CCCCC3)cc2)cc(-c2sccc2C2CCCC2)c1,KWLOYVCDIUIWIF-UHFFFAOYSA-N
-rxn:5:178315:225499:223284,CC(C)(C)[Si](C)(C)Oc1cc(-c2ccc(NS(C)(=O)=O)cc2)cc(-c2ccc(C3CCCCC3)cc2F)c1,NENPYOBWNKWVTG-UHFFFAOYSA-N
-rxn:5:178315:226058:226059,CC(C)c1ccc(-c2cc(O[Si](C)(C)C(C)(C)C)cc(-c3c(C(C)C)cccc3C(C)C)c2)c(C(C)C)c1,BIWSZZGSIDKCGE-UHFFFAOYSA-N
-rxn:5:178315:226685:227803,CN(C)S(=O)(=O)n1nccc1-c1cc(O[Si](C)(C)C(C)(C)C)cc(-c2cnc(C3CCOCC3)nc2)c1,YHXXPBMHKDCTFO-UHFFFAOYSA-N
-rxn:5:178410:223063:225607,CCOC(=O)c1cc2cc(-c3ccc(C(C)N4CCCCC4)s3)cc(-c3cc(F)nc(C4CCNCC4)c3)c2o1,VJEFZXDPVBQWPE-UHFFFAOYSA-N
-rxn:5:178466:223007:225799,CC(C)OC(=O)c1sc2cc(-c3cc(F)cc(C4CCNCC4)c3)ccc2c1-c1cncc(OC2CCOCC2)c1,XHZGQSGFPPQUSN-UHFFFAOYSA-N
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-rxn:5:178466:223061:225465,CC(C)OC(=O)c1sc2cc(-c3cc(C4CCNCC4)ncc3F)ccc2c1-c1cccc(C2CCN(C)CC2)c1,GYDPHOLSJWABNS-UHFFFAOYSA-N
-rxn:5:178466:223061:225587,CC(C)OC(=O)c1sc2cc(-c3cc(C4CCNCC4)ncc3F)ccc2c1-c1cccc(CN2CCOCC2)c1,NGLXRQOQRDJKFX-UHFFFAOYSA-N
-rxn:5:178466:223061:225589,CC(C)OC(=O)c1sc2cc(-c3cc(C4CCNCC4)ncc3F)ccc2c1-c1ccc(CN2CCSCC2)cc1,NMBJEZSNUNHPAC-UHFFFAOYSA-N
-rxn:5:178466:223061:225598,CC(C)OC(=O)c1sc2cc(-c3cc(C4CCNCC4)ncc3F)ccc2c1-c1cccc(CN2CCSCC2)c1,AXXREWJUTJCSBI-UHFFFAOYSA-N
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-rxn:5:178466:223062:225623,CC(C)OC(=O)c1sc2cc(-c3cnc(C4CCNCC4)cc3F)ccc2c1-c1cccc(OC2CCOCC2)c1,MTJYKMHDJNUNQG-UHFFFAOYSA-N
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-rxn:5:178466:223063:226662,CC(C)OC(=O)c1sc2cc(-c3cc(F)nc(C4CCNCC4)c3)ccc2c1-c1ccc(N2CCN(C)CC2)s1,WNOJRUWMGLGJNZ-UHFFFAOYSA-N
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-rxn:5:178466:225833:225799,CC(C)OC(=O)c1sc2cc(-c3ccnc(N4CCCCC4)c3F)ccc2c1-c1cncc(OC2CCOCC2)c1,UJSCGQAJSUZHIO-UHFFFAOYSA-N
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-rxn:5:181905:225656:226425,Cc1ccc(-c2ccc(N3CCCCC3C)s2)c(C2OCCO2)c1-c1cncc(N2CCCCC2C)c1,JBOQUWWCZAGCPD-UHFFFAOYSA-N
-rxn:5:181906:225607:226364,Cc1ccc(-c2ccc(C(C)N3CCCCC3)s2)c(C2OCCO2)c1-c1ccc(N2CCCCC2)nc1,HYFTVRKXPOZWPK-UHFFFAOYSA-N
-rxn:5:181906:225684:225656,Cc1ccc(-c2ccc(C3CCOCC3)nc2C)c(C2OCCO2)c1-c1cncc(N2CCCCC2C)c1,RSDMHKPFDCXSLQ-UHFFFAOYSA-N
-rxn:5:181906:225805:223147,Cc1ccc(-c2ccc(C(C)N3CCOCC3)s2)c(C2OCCO2)c1-c1ccc(C2CNCCO2)cc1,COTUXSQBTFBZKP-UHFFFAOYSA-N
-rxn:5:181907:222958:222987,Cc1cc(-c2ccc(C)c(C3CCNCC3)c2)c(-c2ccc(C3CCNCC3)nc2C)c(C2OCCO2)c1,PSMJKXWNHJGIHV-UHFFFAOYSA-N
-rxn:5:181907:222958:226330,Cc1cc(-c2ccc(C)c(C3CCNCC3)c2)c(-c2ccc(C(C)N3CCCC3)s2)c(C2OCCO2)c1,ZPRWMRNBKCSRGU-UHFFFAOYSA-N
-rxn:5:181907:222959:225470,Cc1cc(-c2ccc(C3CCNCC3)c(C)c2)c(-c2ccc(N3CCC(C)CC3)cc2)c(C2OCCO2)c1,YLTRQRMWUHXQPQ-UHFFFAOYSA-N
-rxn:5:181907:222981:226428,Cc1cc(-c2ccnc(NC3CCCCC3)c2)c(-c2cc(N3CCCCC3C)cs2)c(C2OCCO2)c1,QVRJDPRDCMILHX-UHFFFAOYSA-N
-rxn:5:181907:225438:222981,Cc1cc(-c2ccc(C(C)N3CCCC3)cc2)c(-c2ccnc(NC3CCCCC3)c2)c(C2OCCO2)c1,ULSXZQGHHRAMON-UHFFFAOYSA-N
-rxn:5:181907:225466:222985,Cc1cc(-c2ccc(N3CCCCC3C)cc2)c(-c2ccc(C3CCCNC3)nc2C)c(C2OCCO2)c1,KUSIEXUCOAOMMS-UHFFFAOYSA-N
-rxn:5:181907:225633:225469,Cc1cc(-c2ccc(N3CCCCCC3)nc2)c(-c2ccc(N3CCCC(C)C3)cc2)c(C2OCCO2)c1,IJMHRHWLNMYFBO-UHFFFAOYSA-N
-rxn:5:181907:225638:222994,Cc1cc(-c2ccc(N3CCC(C)CC3)nc2)c(-c2cccc(N3CCC(O)CC3)c2)c(C2OCCO2)c1,PAPOVMKELRQLHA-UHFFFAOYSA-N
-rxn:5:181908:225407:225674,Cc1cc(-c2ccc(C3CCCCCC3)cc2)c(-c2cnc(C3CCCCC3)cc2F)cc1C1OCCO1,OZEUSGBIRNQVOT-UHFFFAOYSA-N
-rxn:5:181908:225435:222987,Cc1cc(-c2ccccc2CN2CCCCC2)c(-c2ccc(C3CCNCC3)nc2C)cc1C1OCCO1,NCCAMAKDTCZYCK-UHFFFAOYSA-N
-rxn:5:181908:225470:222987,Cc1cc(-c2ccc(N3CCC(C)CC3)cc2)c(-c2ccc(C3CCNCC3)nc2C)cc1C1OCCO1,BDZKRYLGDXFJIC-UHFFFAOYSA-N
-rxn:5:181908:225514:225640,Cc1cc(-c2cccc3c2OCC2(CC2)CO3)c(-c2ccnc(N3CCCCC3C)c2)cc1C1OCCO1,WTMJTGXRIGZGSA-UHFFFAOYSA-N
-rxn:5:181908:225653:225499,Cc1cc(-c2ccc(N3CCCCC3C)nc2)c(-c2ccc(C3CCCCC3)cc2F)cc1C1OCCO1,RXEQSGRTWXSRNL-UHFFFAOYSA-N
-rxn:5:181908:225653:225641,Cc1cc(-c2ccc(N3CCCCC3C)nc2)c(-c2ccnc(N3CCCC(C)C3)c2)cc1C1OCCO1,RJDFMKKJUHBDBU-UHFFFAOYSA-N
-rxn:5:181908:226686:225469,Cc1cc(-c2c(C)cnn2C2CCCCO2)c(-c2ccc(N3CCCC(C)C3)cc2)cc1C1OCCO1,XYKYGCYEOBYNOB-UHFFFAOYSA-N
-rxn:5:182010:225832:222998,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2cc(F)cc(C3CCCNC3)c2)ccc1C1CCOCC1,RUFPRFWCEKLDGP-UHFFFAOYSA-N
-rxn:5:182011:225472:226686,Cc1cnn(C2CCCCO2)c1-c1cc(C2CCOCC2)ccc1-c1cccc(N2CCCCC2C)c1,GOGLACVYLNTDJX-UHFFFAOYSA-N
-rxn:5:182012:222956:226428,Cc1ccc(-c2ccc(-c3cc(N4CCCCC4C)cs3)c(C3CCCOC3)c2)c(C2CCCNC2)c1,NWGBTIBSIKDOAT-UHFFFAOYSA-N
-rxn:5:182012:222958:225633,Cc1ccc(-c2ccc(-c3ccc(N4CCCCCC4)nc3)c(C3CCCOC3)c2)cc1C1CCNCC1,QATVPMSMIHLXTJ-UHFFFAOYSA-N
-rxn:5:182013:222957:225407,Cc1cc(-c2ccc(-c3ccc(C4CCCCCC4)cc3)c(C3CCOCC3)c2)cc(C2CCCNC2)c1,WPXNSVKUAUXLKY-UHFFFAOYSA-N
-rxn:5:188375:223006:225943,COC(=O)Cc1nc(-c2ccc(C(=O)N3CCOCC3)s2)ccc1-c1ccc(F)c(C2CCNCC2)c1,DIJXRPRRGDOXNE-UHFFFAOYSA-N
-rxn:5:188383:223007:225805,CCOC(=O)c1cc(-c2ccc(C(C)N3CCOCC3)s2)cnc1-c1cc(F)cc(C2CCNCC2)c1,GXVLBBCPVOEOOX-UHFFFAOYSA-N
-rxn:5:188384:223061:225805,CCOC(=O)c1cnc(-c2ccc(C(C)N3CCOCC3)s2)c(-c2cc(C3CCNCC3)ncc2F)c1,UHGOSZIZHXEXLO-UHFFFAOYSA-N
-rxn:5:188391:223006:225805,CCOC(=O)c1cncc(-c2ccc(F)c(C3CCNCC3)c2)c1-c1ccc(C(C)N2CCOCC2)s1,GJEFJCRHGNYFAY-UHFFFAOYSA-N
-rxn:5:188392:223004:225805,CCOC(=O)c1cnc(-c2ccc(C(C)N3CCOCC3)s2)cc1-c1ccc(C2CCNCC2)c(F)c1,SLXAIVHIVQJTJR-UHFFFAOYSA-N
-rxn:5:188396:223061:225805,CCOC(=O)c1cc(-c2ccc(C(C)N3CCOCC3)s2)nc(-c2cc(C3CCNCC3)ncc2F)c1,YRJQRLMWIFHTNQ-UHFFFAOYSA-N
-rxn:5:188459:227309:225805,CCC(C)c1cc(-c2cc(-c3ccc(C(C)N4CCOCC4)s3)c(C(=O)OC)cc2[N+](=O)[O-])cc(F)n1,SBWWSFTUCIQBNB-UHFFFAOYSA-N
-rxn:5:188867:223004:226583,CC(C)OC(=O)c1cc(-c2ccc(CN3CCOCC3)s2)ncc1-c1ccc(C2CCNCC2)c(F)c1,SEKGTKUHYCXUBI-UHFFFAOYSA-N
-rxn:5:188867:225588:223061,CC(C)OC(=O)c1cc(-c2cc(C3CCNCC3)ncc2F)ncc1-c1ccccc1CN1CCSCC1,HVAOOJVBPKTITQ-UHFFFAOYSA-N
-rxn:5:188867:225589:225976,CC(C)OC(=O)c1cc(-c2ccnc(N3CCOCC3)c2F)ncc1-c1ccc(CN2CCSCC2)cc1,AWOMNNCSULCZGU-UHFFFAOYSA-N
-rxn:5:188867:225598:225976,CC(C)OC(=O)c1cc(-c2ccnc(N3CCOCC3)c2F)ncc1-c1cccc(CN2CCSCC2)c1,IHGRVCSFCMJRES-UHFFFAOYSA-N
-rxn:5:188867:225805:225976,CC(C)OC(=O)c1cc(-c2ccnc(N3CCOCC3)c2F)ncc1-c1ccc(C(C)N2CCOCC2)s1,CAYQMWGAJYNBSO-UHFFFAOYSA-N
-rxn:5:188867:225943:225833,CC(C)OC(=O)c1cc(-c2ccnc(N3CCCCC3)c2F)ncc1-c1ccc(C(=O)N2CCOCC2)s1,FLXHQNTXOAFHEY-UHFFFAOYSA-N
-rxn:5:188867:226583:223004,CC(C)OC(=O)c1cc(-c2ccc(C3CCNCC3)c(F)c2)ncc1-c1ccc(CN2CCOCC2)s1,APQKZPZCOOTRTE-UHFFFAOYSA-N
-rxn:5:188867:226583:223007,CC(C)OC(=O)c1cc(-c2cc(F)cc(C3CCNCC3)c2)ncc1-c1ccc(CN2CCOCC2)s1,YTBIXVKSZLBMFG-UHFFFAOYSA-N
-rxn:5:188867:226661:225978,CC(C)OC(=O)c1cc(-c2ccc(N3CCOCC3)nc2F)ncc1-c1cc(N2CCN(C)CC2)cs1,AAAKKRVHIRQVPM-UHFFFAOYSA-N
-rxn:5:188867:226661:225982,CC(C)OC(=O)c1cc(-c2cnc(N3CCOCC3)cc2F)ncc1-c1cc(N2CCN(C)CC2)cs1,VNGSVYHODMTYPJ-UHFFFAOYSA-N
-rxn:5:188867:226662:223006,CC(C)OC(=O)c1cc(-c2ccc(F)c(C3CCNCC3)c2)ncc1-c1ccc(N2CCN(C)CC2)s1,ORUKCGKHSLEBFH-UHFFFAOYSA-N
-rxn:5:188867:226662:225980,CC(C)OC(=O)c1cc(-c2cc(N3CCOCC3)ncc2F)ncc1-c1ccc(N2CCN(C)CC2)s1,HUVXLCAOJSMDDF-UHFFFAOYSA-N
-rxn:5:188868:225588:223062,CC(C)OC(=O)c1ccnc(-c2cnc(C3CCNCC3)cc2F)c1-c1ccccc1CN1CCSCC1,MLVPJMOYJLOHEW-UHFFFAOYSA-N
-rxn:5:188932:223138:226177,COC(=O)c1cc(-c2ccnc(C3CCCCC3)c2)c(S(N)(=O)=O)c(-c2ccnc(C3CCNCC3)c2)c1,LTJWAWBBBPRHCH-UHFFFAOYSA-N
-rxn:5:188932:223138:226321,COC(=O)c1cc(-c2ccc(SC3CCCC3)nc2)c(S(N)(=O)=O)c(-c2ccnc(C3CCNCC3)c2)c1,GCWVBJKEACPVHK-UHFFFAOYSA-N
-rxn:5:188932:223147:226649,COC(=O)c1cc(-c2ccc(C3CNCCO3)cc2)c(S(N)(=O)=O)c(-c2cccnc2N2CCOCC2)c1,CIFFRBOOBIHAMU-UHFFFAOYSA-N
-rxn:5:188932:226177:226179,COC(=O)c1cc(-c2cncc(C3CCCCC3)c2)c(S(N)(=O)=O)c(-c2ccnc(C3CCCCC3)c2)c1,SKJWZRMAMBVPOF-UHFFFAOYSA-N
-rxn:5:188932:226212:226735,CON=C1CCc2cc(-c3cc(C(=O)OC)cc(-c4cc(C#N)cc(C(F)(F)F)c4)c3S(N)(=O)=O)ccc21,LVPGPLUFGCMMFP-UHFFFAOYSA-N
-rxn:5:189001:223006:225874,COC(=O)C1(c2nc(-c3ccc(F)c(N4CCOCC4)c3)ccc2-c2ccc(F)c(C3CCNCC3)c2)CC1,VBMNMPXVIIIVGH-UHFFFAOYSA-N
-rxn:5:189001:223006:225879,COC(=O)C1(c2nc(-c3ccc(N4CCOCC4)cc3F)ccc2-c2ccc(F)c(C3CCNCC3)c2)CC1,VZDRLQXKVBPDNL-UHFFFAOYSA-N
-rxn:5:189001:223007:225874,COC(=O)C1(c2nc(-c3ccc(F)c(N4CCOCC4)c3)ccc2-c2cc(F)cc(C3CCNCC3)c2)CC1,PDLDCLJBPQMJBE-UHFFFAOYSA-N
-rxn:5:189001:223132:225602,COC(=O)C1(c2nc(-c3cc(C4(C#N)CCC4)ccc3F)ccc2-c2cccc(N3CCNCC3)c2)CC1,YGFKSVJVZZXXJH-UHFFFAOYSA-N
-rxn:5:189001:223141:225601,COC(=O)C1(c2nc(-c3ccc(C4(C#N)CCC4)cc3F)ccc2-c2cncc(C3CCNCC3)c2)CC1,UCZPOIWDZQLVEB-UHFFFAOYSA-N
-rxn:5:189001:223141:225602,COC(=O)C1(c2nc(-c3cc(C4(C#N)CCC4)ccc3F)ccc2-c2cncc(C3CCNCC3)c2)CC1,IQEPTJICNSQERI-UHFFFAOYSA-N
-rxn:5:189001:223141:225603,COC(=O)C1(c2nc(-c3cccc(C4(C#N)CCC4)c3F)ccc2-c2cncc(C3CCNCC3)c2)CC1,RRSUAWMZNGFHKV-UHFFFAOYSA-N
-rxn:5:189001:225598:223061,COC(=O)C1(c2nc(-c3cc(C4CCNCC4)ncc3F)ccc2-c2cccc(CN3CCSCC3)c2)CC1,RNTSTRISYJZDPW-UHFFFAOYSA-N
-rxn:5:189001:225800:225976,COC(=O)C1(c2nc(-c3ccnc(N4CCOCC4)c3F)ccc2-c2ccc(C(=O)N3CCSC3)cc2)CC1,PISVGJLZKVAKOT-UHFFFAOYSA-N
-rxn:5:189001:225874:223006,COC(=O)C1(c2nc(-c3ccc(F)c(C4CCNCC4)c3)ccc2-c2ccc(F)c(N3CCOCC3)c2)CC1,BSAHOHWUZWIBIW-UHFFFAOYSA-N
-rxn:5:189001:225976:223006,COC(=O)C1(c2nc(-c3ccc(F)c(C4CCNCC4)c3)ccc2-c2ccnc(N3CCOCC3)c2F)CC1,CLBVSTOISOTNKU-UHFFFAOYSA-N
-rxn:5:189001:225982:223133,COC(=O)C1(c2nc(-c3ccccc3N3CCNCC3)ccc2-c2cnc(N3CCOCC3)cc2F)CC1,BRSKQTAZSKRTKT-UHFFFAOYSA-N
-rxn:5:189001:226431:225976,COC(=O)C1(c2nc(-c3ccnc(N4CCOCC4)c3F)ccc2-c2ccc(N3CCCC3)c(F)c2)CC1,FZZXFVHZJQVRJQ-UHFFFAOYSA-N
-rxn:5:189078:225607:223063,CCN(C)C(=O)c1cc(-c2ccc(C(C)N3CCCCC3)s2)ccc1-c1cc(F)nc(C2CCNCC2)c1,BPEHEABGJVWGQA-UHFFFAOYSA-N
-rxn:5:189078:225978:223063,CCN(C)C(=O)c1cc(-c2ccc(N3CCOCC3)nc2F)ccc1-c1cc(F)nc(C2CCNCC2)c1,QAIDXHHPSCADBT-UHFFFAOYSA-N
-rxn:5:189078:225982:223063,CCN(C)C(=O)c1cc(-c2cnc(N3CCOCC3)cc2F)ccc1-c1cc(F)nc(C2CCNCC2)c1,YMDIORILJMRPIL-UHFFFAOYSA-N
-rxn:5:189079:223063:225976,CCN(C)C(=O)c1ccc(-c2ccnc(N3CCOCC3)c2F)c(-c2cc(F)nc(C3CCNCC3)c2)c1,LWQPMKPYMIGYBT-UHFFFAOYSA-N
-rxn:5:189079:225607:223063,CCN(C)C(=O)c1ccc(-c2cc(F)nc(C3CCNCC3)c2)c(-c2ccc(C(C)N3CCCCC3)s2)c1,PHGFQQZEUPEAFH-UHFFFAOYSA-N
-rxn:5:189207:223131:228304,CC(C)Oc1ncc(-c2ccc(-c3ccc(N4CCNCC4)cc3)cc2C(=O)ON2C(=O)CCC2=O)cn1,SRAZLZKGRAORBL-UHFFFAOYSA-N
-rxn:5:189212:228107:227403,CCC(C)c1ncncc1-c1cc(C(=O)ON2C(=O)CCC2=O)ccc1-c1ccc(N2CCCCC2)s1,NVMMWKUUGJVVLE-UHFFFAOYSA-N
-rxn:5:189323:225620:226048,CC(C)(C)OC(=O)c1cc(-c2c(F)ccc(F)c2OC(F)(F)F)ncc1-c1ccc(OC2CCOCC2)cc1,NTRVIUSOXASLFO-UHFFFAOYSA-N
-rxn:5:189334:223143:225438,CC(c1ccc(-c2cc(-c3cccc(N4CCC(O)C4)c3)cnc2C(=O)OC(C)(C)C)cc1)N1CCCC1,JHWYLIPNVBMZLZ-UHFFFAOYSA-N
-rxn:5:189449:226371:225809,COC1CN(C(=O)c2cc(-c3cc(F)ccc3OC3CCOC3)ccc2-c2cnc(N3CCCC3)cc2C)C1,QMMNKKIGRPDHFA-UHFFFAOYSA-N
-rxn:5:189538:225976:223294,CC(C)N(C)C(=O)c1ccc(-c2ccnc(N3CCOCC3)c2F)c(-c2csc(N3CCNCC3)n2)c1,RFVNRJDTGPQXBO-UHFFFAOYSA-N
-rxn:5:189538:225982:223294,CC(C)N(C)C(=O)c1ccc(-c2cnc(N3CCOCC3)cc2F)c(-c2csc(N3CCNCC3)n2)c1,IMNCTOFLDYVPHS-UHFFFAOYSA-N
-rxn:5:189662:227710:222985,Cc1nc(C2CCCNC2)ccc1-c1ncc(-c2ccc(OS(C)(=O)=O)cc2)cc1OCC1CCOCC1,WNVFPKVOTYPPJT-UHFFFAOYSA-N
-rxn:5:189664:222983:227024,CC(c1cccc(-c2cc(-c3cccc(CN4CCC(O)C4)c3)ccc2CC(=O)N2CCCC2)c1)N(C)C,LQXCFQAGLRPVFY-UHFFFAOYSA-N
-rxn:5:189665:223063:227023,CC(c1ccc(-c2cc(-c3cc(F)nc(C4CCNCC4)c3)cnc2OCC2CCOCC2)cc1)N(C)C,GISZNSLJBJJDEJ-UHFFFAOYSA-N
-rxn:5:189667:225450:226150,CC(C)(C)[S@](=O)/N=C/c1cc(-c2ccc(C(=O)C3CCCC3)cc2)cc(-c2cccc(SC3CCCC3)c2)c1,GZFHDRRAOCTSIR-KFFQEHSXSA-N
-rxn:5:189668:225453:227592,COc1cc(F)cc(-c2ccc(CC(=O)N3CCCC3)c(-c3cccc(SC4CCCCC4)c3)c2)c1OC,WFGRSOCNGMUDRO-UHFFFAOYSA-N
-rxn:5:189672:226064:226146,CC(C)(C)S(=O)/N=C/c1cccc(-c2ccc(C3CCCCC3)cc2)c1-c1ccc(SC2CCCC2)cc1,RSYHQNLTGLUJCB-JWHWKPFMSA-N
-rxn:5:189718:227289:225620,CC(C)(C)Oc1ncccc1-c1cc(OC2CCOCC2)c([N+](=O)[O-])cc1-c1ccc(OC2CCOCC2)cc1,GFEHHDJYXRKOFE-UHFFFAOYSA-N
-rxn:5:189826:223011:225976,CC(C)Oc1cc2cn[nH]c2cc1-c1cc(-c2ccnc(N3CCOCC3)c2F)ccc1CC(=O)N1CCOCC1,JQKUQZFWNRMCGJ-UHFFFAOYSA-N
-rxn:5:189826:227672:225394,Cc1cccc(-c2cc(-c3cc(C4CCC4)cc(C4CC4)c3)ccc2CC(=O)N2CCOCC2)c1C(F)(F)F,RRLPTYJRWCTQJN-UHFFFAOYSA-N
-rxn:5:189827:223138:226913,CCc1cc(-c2ccc(CC(=O)N3CCOCC3)cc2-c2ccnc(C3CCNCC3)c2)cc(C2CC2)c1,DHKIZEQQOQIJLD-UHFFFAOYSA-N
-rxn:5:189908:226464:225515,COc1ccc2c(c1-c1cnc(-c3cccc4c3OCC(C)(C)CO4)c(OCC3CCCCC3)c1)OCCO2,QAUQTAHHBFMYQP-UHFFFAOYSA-N
-rxn:5:189909:225834:223065,Fc1cc(N2CCNCC2)ccc1-c1ccc(-c2cc(N3CCCCC3)ncc2F)c(CCN2CCOCC2)c1,GQVXRGRKZYVTCQ-UHFFFAOYSA-N
-rxn:5:189910:225834:226366,Fc1cnc(N2CCCCC2)cc1-c1ccc(-c2ccnc(N3CCCCC3)c2)c(CCN2CCOCC2)c1,SLMBHXQKEBRYLM-UHFFFAOYSA-N
-rxn:5:189910:225982:226395,Fc1cc(N2CCOCC2)ncc1-c1ccc(-c2cncc(N3CCCCC3)c2)c(CCN2CCOCC2)c1,JTBXCUXRNXYRAN-UHFFFAOYSA-N
-rxn:5:189910:227803:226583,CN(C)S(=O)(=O)n1nccc1-c1ccc(-c2ccc(CN3CCOCC3)s2)c(CCN2CCOCC2)c1,ASYPIIMGCKOBQR-UHFFFAOYSA-N
-rxn:5:189952:225982:223378,COc1c(-c2cnc3c(c2)NCCO3)cc(C(=O)N2CCOCC2)cc1-c1cnc(N2CCOCC2)cc1F,HGHNWXZODCYVHW-UHFFFAOYSA-N
-rxn:5:190000:223011:223063,CC(C)Oc1cc2cn[nH]c2cc1-c1cc(-c2cc(F)nc(C3CCNCC3)c2)ccc1CC(=O)N1CCCCC1,LQXWHFKLHFQLJM-UHFFFAOYSA-N
-rxn:5:190000:226914:223189,Cc1cc(CC(C)C)ccc1-c1cc(-c2ccc(NS(C)(=O)=O)cc2F)ccc1CC(=O)N1CCCCC1,LOVJKZQVXOSBRC-UHFFFAOYSA-N
-rxn:5:190000:228005:225449,CSc1cc(C)c(-c2cc(-c3cccc(OC4CCCCC4)c3)ccc2CC(=O)N2CCCCC2)cc1C,GFBBEZDMAJUWPZ-UHFFFAOYSA-N
-rxn:5:190127:227561:227047,COc1cc(F)c(-c2ccc(-c3cccc(SC4CCC4)c3)c(C(=O)N3CCC(OC)CC3)c2)cc1OC,YTLNVTNQRRGELD-UHFFFAOYSA-N
-rxn:5:190127:227562:225453,COc1ccc(F)c(-c2ccc(-c3cccc(SC4CCCCC4)c3)c(C(=O)N3CCC(OC)CC3)c2)c1OC,JTJAUVOMRPISBR-UHFFFAOYSA-N
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-rxn:5:190194:225451:228148,COc1cccc(-c2c(CN3CCC(OC)CC3)cccc2-c2ccc(SC3CCCCC3)cc2)c1OC,GNXQCAAGBNDMTQ-UHFFFAOYSA-N
-rxn:5:190194:225881:227906,CCC(C)c1ncccc1-c1c(CN2CCC(OC)CC2)cccc1-c1ccc(C2CCOCC2)nc1F,ZZTJBGDFXMCSCX-UHFFFAOYSA-N
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-rxn:5:190194:227348:225453,COc1ccc(-c2cccc(CN3CCC(OC)CC3)c2-c2cccc(SC3CCCCC3)c2)c(C)c1OC,ORSBTXZMSJRPFG-UHFFFAOYSA-N
-rxn:5:190194:227574:225453,COc1c(F)ccc(-c2cccc(CN3CCC(OC)CC3)c2-c2cccc(SC3CCCCC3)c2)c1OC,XMQJTQALFQVJDJ-UHFFFAOYSA-N
-rxn:5:190194:227592:225394,COc1cc(F)cc(-c2cccc(CN3CCC(OC)CC3)c2-c2cc(C3CCC3)cc(C3CC3)c2)c1OC,VHIPXGOTFOOWLX-UHFFFAOYSA-N
-rxn:5:190194:227815:223062,CCC(C)c1ccccc1-c1cccc(CN2CCC(OC)CC2)c1-c1cnc(C2CCNCC2)cc1F,RZCXBXQJONRFOO-UHFFFAOYSA-N
-rxn:5:190194:227818:223061,CCC(C)c1cccc(-c2cccc(CN3CCC(OC)CC3)c2-c2cc(C3CCNCC3)ncc2F)c1,LXGCNLYNXIDAJJ-UHFFFAOYSA-N
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-rxn:5:190194:227835:223010,COC1CCN(Cc2cccc(-c3ccc(C)c(C4CC4)c3)c2-c2ccc(C3(O)CCOCC3)cc2)CC1,WLBFLMRHOLCBRS-UHFFFAOYSA-N
-rxn:5:190194:227838:223010,COC1CCN(Cc2cccc(-c3cc(C)ccc3C3CC3)c2-c2ccc(C3(O)CCOCC3)cc2)CC1,NMINBLBAJFEBFD-UHFFFAOYSA-N
-rxn:5:190194:227906:225834,CCC(C)c1ncccc1-c1cccc(CN2CCC(OC)CC2)c1-c1cc(N2CCCCC2)ncc1F,INYHBNXWTSVMEC-UHFFFAOYSA-N
-rxn:5:190194:227906:225881,CCC(C)c1ncccc1-c1cccc(CN2CCC(OC)CC2)c1-c1ccc(C2CCOCC2)nc1F,OFAYQUVWBAUEHD-UHFFFAOYSA-N
-rxn:5:190194:228276:225453,COc1c(-c2cccc(CN3CCC(OC)CC3)c2-c2cccc(SC3CCCCC3)c2)ccc(F)c1C,WHWQQYHAZSRDFH-UHFFFAOYSA-N
-rxn:5:190195:223113:227684,CN(Cc1ccc(-c2ccc3c(c2)C(C)(C)C(=O)N3)c(-c2cnn(CC3OCCO3)c2)c1)C1CCOCC1,PJURYUGBYPFFJD-UHFFFAOYSA-N
-rxn:5:190195:225976:223113,CN(Cc1ccc(-c2ccnc(N3CCOCC3)c2F)c(-c2ccc3c(c2)C(C)(C)C(=O)N3)c1)C1CCOCC1,CVXSJMFBBDBXDS-UHFFFAOYSA-N
-rxn:5:190196:223056:223113,CN(Cc1ccc(-c2ccc(N3CCC(O)CC3)nc2)cc1-c1ccc2c(c1)C(C)(C)C(=O)N2)C1CCOCC1,LFSRZJGALRAIBZ-UHFFFAOYSA-N
-rxn:5:190196:223113:223062,CN(Cc1ccc(-c2ccc3c(c2)C(C)(C)C(=O)N3)cc1-c1cnc(C2CCNCC2)cc1F)C1CCOCC1,CKHZIIVZQBKIPJ-UHFFFAOYSA-N
-rxn:5:190198:225930:227535,CCOc1cc(F)c(F)cc1-c1cccc(-c2cc(C)ccc2S(=O)(=O)N(C)C)c1CN(C)C1CCOCC1,HOMYXDQSHWIKRT-UHFFFAOYSA-N
-rxn:5:190201:223113:226645,CC1CN(CCc2cc(-c3ccc4c(c3)C(C)(C)C(=O)N4)ccc2-c2ccnc(N3CCOCC3)c2)CCO1,UPVIYBYEADFTQR-UHFFFAOYSA-N
-rxn:5:190201:226335:225594,CC1CN(CCc2cc(-c3ccc(C4COC4)c(C#N)c3)ccc2-c2ccc(F)cc2CN2CCCC2)CCO1,NDJCYWARMAQEER-UHFFFAOYSA-N
-rxn:5:190201:226686:227381,Cc1cnn(C2CCCCO2)c1-c1ccc(-c2cnc(C3CCCC3)nc2)c(CCN2CCOC(C)C2)c1,MWGKWTMWCJQNBI-UHFFFAOYSA-N
-rxn:5:190231:226645:222417,COc1c(-c2ccnc(N3CCOCC3)c2)cc(C(=O)N2CCOC(C)C2)cc1-c1cnc(=O)[nH]c1C(C)C,NKCUNQZTGPDISW-UHFFFAOYSA-N
-rxn:5:190265:222989:226597,Cc1cc(N2CCNCC2)ccc1-c1cc(CC(=O)N2CCCC(C)C2)ccc1-c1cc(F)c(OC(C)C)c(F)c1,XERNQCZTLIWKME-UHFFFAOYSA-N
-rxn:5:190308:223054:226600,CCOc1c(F)c(C)cc(-c2ccc(-c3ccc(C(C)N4CCC(O)C4)s3)cc2CCN2CCCC(C)C2)c1F,BTZCINQWGLGHBU-UHFFFAOYSA-N
-rxn:5:190336:227059:228165,CCOc1ccc(F)c(-c2cc(C(=O)N3CCCC(C)C3)cc(-c3ccc(OC)c(C(C)C)c3)c2OC)c1,SILFZKNBRAWNMZ-UHFFFAOYSA-N
-rxn:5:190336:227108:227922,CCc1cc(OC)ccc1-c1cc(C(=O)N2CCCC(C)C2)cc(-c2cc(C3CCC3)ccc2F)c1OC,ATLLWNBYMDLYQB-UHFFFAOYSA-N
-rxn:5:190336:228181:227052,COCc1cc(F)ccc1-c1cc(C(=O)N2CCCC(C)C2)cc(-c2ccc(SC(C)(C)C)cc2)c1OC,PCFPHVVNCHMFBZ-UHFFFAOYSA-N
-rxn:5:190337:227052:227818,CCC(C)c1cccc(-c2cc(C(=O)N3CCC(C)CC3)cc(-c3ccc(SC(C)(C)C)cc3)c2OC)c1,ZITYJWDAODBVGE-UHFFFAOYSA-N
-rxn:5:190337:228119:225832,COc1c(-c2ccc(SC(C)C)nc2)cc(C(=O)N2CCC(C)CC2)cc1-c1c(C)nn(C2CCCCO2)c1C,MIRKFDIBJONXNS-UHFFFAOYSA-N
-rxn:5:190484:223135:227507,O=C(c1cccc(-c2cccnc2C2CCCNC2)c1)N1CCC(c2ccccc2-c2cccc(C=C[N+](=O)[O-])c2)S(=O)(=O)CC1,TZFAUAWNVPKJCM-UHFFFAOYSA-N
-rxn:5:190484:226060:228122,CCOc1nc(C)ccc1-c1ccccc1C1CCN(C(=O)c2cccc(-c3cc(C4CC4)cc(C4CC4)c3)c2)CCS1(=O)=O,MIQPIQYHWHTVQN-UHFFFAOYSA-N
-rxn:5:190484:226912:227971,Cc1cc(CC(C)C)cc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4cnccc4C(C)(C)C)S(=O)(=O)CC3)c2)c1,YVCQPGZVLUXHEX-UHFFFAOYSA-N
-rxn:5:190484:226914:228713,Cc1cc(CC(C)C)ccc1-c1cccc(C(=O)N2CCC(c3ccccc3-c3ccn(C(C)(C)C)n3)S(=O)(=O)CC2)c1,LXSVUQMVRXHPQW-UHFFFAOYSA-N
-rxn:5:190484:227045:227045,CC(C)(C)Sc1cccc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4cccc(SC(C)(C)C)c4)S(=O)(=O)CC3)c2)c1,QRPWQWYRCVJIJC-UHFFFAOYSA-N
-rxn:5:190484:227449:226452,O=C(c1cccc(-c2ccc(C3CCOCC3)s2)c1)N1CCC(c2ccccc2-c2ccc(C3OCCCO3)cc2)S(=O)(=O)CC1,MFODKXVKYRKITC-UHFFFAOYSA-N
-rxn:5:190484:227558:226176,Cc1cc(OC(F)F)ccc1-c1cccc(C(=O)N2CCC(c3ccccc3-c3ccncc3C3CCCCC3)S(=O)(=O)CC2)c1,XRVYZVKRPBXMMI-UHFFFAOYSA-N
-rxn:5:190484:227926:227045,CC(C)Sc1ccc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4cccc(SC(C)(C)C)c4)S(=O)(=O)CC3)c2)cc1,CDDRAAGMXYPWJP-UHFFFAOYSA-N
-rxn:5:190484:227969:226058,Cc1nccc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4c(C(C)C)cccc4C(C)C)S(=O)(=O)CC3)c2)c1C1CC1,BXKJDVKSPKODPT-UHFFFAOYSA-N
-rxn:5:190484:227971:226191,CC(C)(C)c1ccncc1-c1cccc(C(=O)N2CCC(c3ccccc3-c3cc(C4CCCC4)ccc3F)S(=O)(=O)CC2)c1,MCPOEXHIKYKUSJ-UHFFFAOYSA-N
-rxn:5:190484:228247:227409,CC(=O)c1ccc(F)c(-c2cccc(C(=O)N3CCC(c4ccccc4-c4cc(C(C)(C)C)ncc4F)S(=O)(=O)CC3)c2)c1,GFOLEKHNBVFHQA-UHFFFAOYSA-N
-rxn:5:190484:228616:226325,CSc1ccc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4ccc(C(C)(C)C#N)cc4F)S(=O)(=O)CC3)c2)c(C)c1,DLOVDBOEFZOFIO-UHFFFAOYSA-N
-rxn:5:190484:228641:226176,Cc1cc(F)c(-c2cccc(C(=O)N3CCC(c4ccccc4-c4ccncc4C4CCCCC4)S(=O)(=O)CC3)c2)cc1C,HLAPVQNPAGBTJQ-UHFFFAOYSA-N
-rxn:5:190579:225607:223007,CCOC(=O)c1[nH]c2ccc(-c3ccc(C(C)N4CCCCC4)s3)cc2c1-c1cc(F)cc(C2CCNCC2)c1,RTTOYRBIBVPURU-UHFFFAOYSA-N
-rxn:5:190580:225805:223061,CCOC(=O)c1[nH]c2ccc(-c3cc(C4CCNCC4)ncc3F)cc2c1-c1ccc(C(C)N2CCOCC2)s1,SRJXCTXSAOOGSC-UHFFFAOYSA-N
-rxn:5:190583:223062:225607,CCOC(=O)c1cc2cc(-c3cnc(C4CCNCC4)cc3F)c(-c3ccc(C(C)N4CCCCC4)s3)cc2[nH]1,ZGBNSIDMVIAUOP-UHFFFAOYSA-N
-rxn:5:190583:223063:225805,CCOC(=O)c1cc2cc(-c3cc(F)nc(C4CCNCC4)c3)c(-c3ccc(C(C)N4CCOCC4)s3)cc2[nH]1,YZCNDYWPTSTWBW-UHFFFAOYSA-N
-rxn:5:190583:225805:223063,CCOC(=O)c1cc2cc(-c3ccc(C(C)N4CCOCC4)s3)c(-c3cc(F)nc(C4CCNCC4)c3)cc2[nH]1,HXTFAEYREAQZPF-UHFFFAOYSA-N
-rxn:5:190584:223063:225805,CCOC(=O)c1cc2c(-c3ccc(C(C)N4CCOCC4)s3)cc(-c3cc(F)nc(C4CCNCC4)c3)cc2[nH]1,UVYBTUGMZFQZIG-UHFFFAOYSA-N
-rxn:5:190584:223064:225805,CCOC(=O)c1cc2c(-c3ccc(C(C)N4CCOCC4)s3)cc(-c3ccc(C4CCNCC4)nc3F)cc2[nH]1,YZYBOQPTTIMGBQ-UHFFFAOYSA-N
-rxn:5:190584:225805:223064,CCOC(=O)c1cc2c(-c3ccc(C4CCNCC4)nc3F)cc(-c3ccc(C(C)N4CCOCC4)s3)cc2[nH]1,GCCMANPWOLNYKF-UHFFFAOYSA-N
-rxn:5:190585:225607:223062,CCOC(=O)c1[nH]c2cc(-c3cnc(C4CCNCC4)cc3F)ccc2c1-c1ccc(C(C)N2CCCCC2)s1,WRENXLUOUHWWLR-UHFFFAOYSA-N
-rxn:5:190585:225607:223063,CCOC(=O)c1[nH]c2cc(-c3cc(F)nc(C4CCNCC4)c3)ccc2c1-c1ccc(C(C)N2CCCCC2)s1,KOPAUXPVNBYTMR-UHFFFAOYSA-N
-rxn:5:190585:225607:223064,CCOC(=O)c1[nH]c2cc(-c3ccc(C4CCNCC4)nc3F)ccc2c1-c1ccc(C(C)N2CCCCC2)s1,QYTVPKIETNTXGE-UHFFFAOYSA-N
-rxn:5:190585:225805:223061,CCOC(=O)c1[nH]c2cc(-c3cc(C4CCNCC4)ncc3F)ccc2c1-c1ccc(C(C)N2CCOCC2)s1,OMKRLSJEPNOEGU-UHFFFAOYSA-N
-rxn:5:190586:223063:225805,CCOC(=O)c1cc2c(-c3cc(F)nc(C4CCNCC4)c3)c(-c3ccc(C(C)N4CCOCC4)s3)ccc2[nH]1,POCYBMLBDSZDSK-UHFFFAOYSA-N
-rxn:5:190586:225607:223061,CCOC(=O)c1cc2c(-c3ccc(C(C)N4CCCCC4)s3)c(-c3cc(C4CCNCC4)ncc3F)ccc2[nH]1,JNSVILIZDYUHRC-UHFFFAOYSA-N
-rxn:5:190586:225805:223063,CCOC(=O)c1cc2c(-c3ccc(C(C)N4CCOCC4)s3)c(-c3cc(F)nc(C4CCNCC4)c3)ccc2[nH]1,FCCHEZKOXVKZAD-UHFFFAOYSA-N
-rxn:5:190587:223064:225805,CCOC(=O)c1cc2c(-c3ccc(C4CCNCC4)nc3F)ccc(-c3ccc(C(C)N4CCOCC4)s3)c2[nH]1,IWZNCJNODYKFDA-UHFFFAOYSA-N
-rxn:5:190587:225607:225834,CCOC(=O)c1cc2c(-c3ccc(C(C)N4CCCCC4)s3)ccc(-c3cc(N4CCCCC4)ncc3F)c2[nH]1,XVCXXCNLIAIPFN-UHFFFAOYSA-N
-rxn:5:190587:225976:225607,CCOC(=O)c1cc2c(-c3ccnc(N4CCOCC4)c3F)ccc(-c3ccc(C(C)N4CCCCC4)s3)c2[nH]1,BIHNJVGCPYSVJE-UHFFFAOYSA-N
-rxn:5:190588:223054:223063,CCOC(=O)c1cc2c(-c3cc(F)nc(C4CCNCC4)c3)ccc(-c3ccc(C(C)N4CCC(O)C4)s3)c2[nH]1,WGBSMXWIQFDJRO-UHFFFAOYSA-N
-rxn:5:190588:225805:223064,CCOC(=O)c1cc2c(-c3ccc(C4CCNCC4)nc3F)ccc(-c3ccc(C(C)N4CCOCC4)s3)c2[nH]1,IWZNCJNODYKFDA-UHFFFAOYSA-N
-rxn:5:190595:225976:225607,CCOC(=O)c1cc2cc(-c3ccnc(N4CCOCC4)c3F)cc(-c3ccc(C(C)N4CCCCC4)s3)c2[nH]1,VHMQSPZJVLUFIS-UHFFFAOYSA-N
-rxn:5:190595:225976:225805,CCOC(=O)c1cc2cc(-c3ccnc(N4CCOCC4)c3F)cc(-c3ccc(C(C)N4CCOCC4)s3)c2[nH]1,AERLVEUUDNYKBH-UHFFFAOYSA-N
-rxn:5:190596:225607:223008,CCOC(=O)c1cc2cc(-c3cc(C4CCNCC4)ccc3F)cc(-c3ccc(C(C)N4CCCCC4)s3)c2[nH]1,IVEFZFDCTXSIJX-UHFFFAOYSA-N
-rxn:5:190596:225666:223054,CCOC(=O)c1cc2cc(-c3ccc(C(C)N4CCC(O)C4)s3)cc(-c3cc(F)cc(N4CCCCC4)c3)c2[nH]1,KCQLDRYKSUBMEL-UHFFFAOYSA-N
-rxn:5:190645:223064:225805,CCOC(=O)c1cnc2ccc(-c3ccc(C4CCNCC4)nc3F)cc2c1-c1ccc(C(C)N2CCOCC2)s1,GHRIIVVHNLUKSS-UHFFFAOYSA-N
-rxn:5:190645:225607:222998,CCOC(=O)c1cnc2ccc(-c3ccc(C(C)N4CCCCC4)s3)cc2c1-c1cc(F)cc(C2CCCNC2)c1,BSAVKJQKNFNYQZ-UHFFFAOYSA-N
-rxn:5:190645:225805:223006,CCOC(=O)c1cnc2ccc(-c3ccc(C(C)N4CCOCC4)s3)cc2c1-c1ccc(F)c(C2CCNCC2)c1,JIRLNNALCLYITG-UHFFFAOYSA-N
-rxn:5:190646:223062:225805,CCOC(=O)c1cnc2c(-c3cnc(C4CCNCC4)cc3F)cccc2c1-c1ccc(C(C)N2CCOCC2)s1,IFOVEVAAQDXFSM-UHFFFAOYSA-N
-rxn:5:190646:223063:225805,CCOC(=O)c1cnc2c(-c3cc(F)nc(C4CCNCC4)c3)cccc2c1-c1ccc(C(C)N2CCOCC2)s1,QOUPJLIUZZDFGU-UHFFFAOYSA-N
-rxn:5:190646:223064:225805,CCOC(=O)c1cnc2c(-c3ccc(C4CCNCC4)nc3F)cccc2c1-c1ccc(C(C)N2CCOCC2)s1,ALQOUZOIASGSSJ-UHFFFAOYSA-N
-rxn:5:190646:225607:223006,CCOC(=O)c1cnc2c(-c3ccc(C(C)N4CCCCC4)s3)cccc2c1-c1ccc(F)c(C2CCNCC2)c1,ULUBMLZMZNYRJJ-UHFFFAOYSA-N
-rxn:5:190646:225607:223007,CCOC(=O)c1cnc2c(-c3ccc(C(C)N4CCCCC4)s3)cccc2c1-c1cc(F)cc(C2CCNCC2)c1,NLBCYLKCRLWXHN-UHFFFAOYSA-N
-rxn:5:190646:225805:223006,CCOC(=O)c1cnc2c(-c3ccc(C(C)N4CCOCC4)s3)cccc2c1-c1ccc(F)c(C2CCNCC2)c1,SECINKRAWSMVRS-UHFFFAOYSA-N
-rxn:5:190646:225805:223007,CCOC(=O)c1cnc2c(-c3ccc(C(C)N4CCOCC4)s3)cccc2c1-c1cc(F)cc(C2CCNCC2)c1,OHHBFABXOVVRRY-UHFFFAOYSA-N
-rxn:5:190647:223062:225805,CCOC(=O)c1cc(-c2ccc(C(C)N3CCOCC3)s2)nc2cc(-c3cnc(C4CCNCC4)cc3F)ccc12,BBMYCWXWLNGTQZ-UHFFFAOYSA-N
-rxn:5:190648:225672:225607,CCOC(=O)c1c(-c2cc(F)nc(C3CCCCC3)c2)nc2ccccc2c1-c1ccc(C(C)N2CCCCC2)s1,UWYXKLLMDBOCHA-UHFFFAOYSA-N
-rxn:5:190648:225805:223063,CCOC(=O)c1c(-c2ccc(C(C)N3CCOCC3)s2)nc2ccccc2c1-c1cc(F)nc(C2CCNCC2)c1,GOHAXUMTJJYMAE-UHFFFAOYSA-N
-rxn:5:190649:223063:225805,CCOC(=O)c1cnc2cc(-c3cc(F)nc(C4CCNCC4)c3)ccc2c1-c1ccc(C(C)N2CCOCC2)s1,RJBYZVORJCHMHD-UHFFFAOYSA-N
-rxn:5:190650:223064:225805,CCOC(=O)c1cnc2ccc(-c3ccc(C(C)N4CCOCC4)s3)cc2c1-c1ccc(C2CCNCC2)nc1F,XNRHGTPZEQXWJV-UHFFFAOYSA-N
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-rxn:5:190744:225834:225464,CCOC(=O)c1cnc2c(-c3cc(N4CCCCC4)ncc3F)c(C)ccc2c1-c1cccc(N2CCCC(C)C2)c1,GMPFXCRFMUWAFG-UHFFFAOYSA-N
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-rxn:5:190832:223061:223140,CCOC(=O)c1cnc2cc(C)c(-c3cc(C4CCNCC4)ncc3F)c(C)c2c1-c1ccnc(C2CCCNC2)c1,YGZSYNINIATAFD-UHFFFAOYSA-N
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-rxn:5:191049:222980:228140,COc1cc(N2Cc3cc(-c4ccc(CN5CCNCC5)cc4)ccc3OCC2=O)c(OC)cc1-c1ccc(C(C)N(C)C)s1,QOSCHDAPFIGSQV-UHFFFAOYSA-N
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-rxn:5:193229:225982:225849,O=C(c1cccc(-c2cnc(N3CCOCC3)cc2F)c1-c1cnc(N2CCCCC2)cc1F)N1CCOCC1,KMYNMXHIJZFNKX-UHFFFAOYSA-N
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-rxn:5:193230:226583:223006,O=C(c1ccc(-c2ccc(CN3CCOCC3)s2)cc1-c1ccc(F)c(C2CCNCC2)c1)N1CCOCC1,DLHYXGDJGWQRBV-UHFFFAOYSA-N
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-rxn:5:193334:226447:226686,Cc1cnn(C2CCCCO2)c1-c1cccc(CN2CCOCC2)c1-c1ccnc(C2CCOCC2)c1,QUIAXFZGNOBZOL-UHFFFAOYSA-N
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-rxn:5:193972:226062:226070,Cc1cc(-c2cc(C(C)C)cc(C(C)C)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc2c(ccn2C(C)C)c1,DDWBNHCBKRVKRV-UHFFFAOYSA-N
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-rxn:5:193972:227717:228003,CSc1cc(C)c(-c2cc(S(=O)(=O)N3CCCCCC3)c(-c3ccc(F)cc3OC(F)F)cc2C)c(C)c1,HDIOMNAQKRIUEG-UHFFFAOYSA-N
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-rxn:5:197876:223018:228930,CSc1c(-c2cc3c(cc2-c2ccc4c(c2)NC(=O)C(C)(C)O4)S(=O)(=O)N(C(C)(C)C)C3=O)ccnc1F,CWMAHZFEKMINKT-UHFFFAOYSA-N
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-rxn:5:197876:227415:226589,CC(C)c1cnc(C(F)F)cc1-c1cc2c(cc1-c1ccc(C(C)(C)C)nc1F)S(=O)(=O)N(C(C)(C)C)C2=O,WDIQFEHUNDFVEH-UHFFFAOYSA-N
-rxn:5:197876:227830:225583,CC1(c2ccc(-c3cc4c(cc3-c3cccc(C(=O)N5CCCC5)c3)C(=O)N(C(C)(C)C)S4(=O)=O)cc2)CC1,AEGPSFHVDLMAIS-UHFFFAOYSA-N
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-rxn:4:180259:223559,COc1cc(C(C)(C)C)ccc1-c1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)OC(C)(C)C,SFGMWPREEKWREJ-UHFFFAOYSA-N
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-rxn:4:181954:223506,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cccc(-c3cccc(C4COCCC4=O)c3)c2)CC1,OQBHSWSYWNUHBK-UHFFFAOYSA-N
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-rxn:4:182416:225014,CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1ccc(-c2cc(-c3nccs3)cc(C3CC3)c2)cc1,DLTKARWGKPALKL-UHFFFAOYSA-N
-rxn:4:183271:222945,CC(C)NS(=O)(=O)c1ccc(-c2ccc3c(c2)OCCOCCOCCOCCO3)cc1F,DGAXLWCZJHAFCN-UHFFFAOYSA-N
-rxn:4:183273:229315,Cc1ncoc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,QHKVEIKSRXWSDJ-UHFFFAOYSA-N
-rxn:4:183274:227518,COc1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCOCCO3)c(F)c1C#N,DMLGZBVGPFRKBR-UHFFFAOYSA-N
-rxn:4:183497:224065,CCOC(=O)Cc1c(C(F)F)ccc(-c2cc(C3CC3)cc(N3CCC(C)CC3)c2)c1C#N,UABIHCLRBOTMEC-UHFFFAOYSA-N
-rxn:4:183695:222503,O=C(NCc1ccc(F)cc1)c1cc(F)cc(-c2cc(OC(F)(F)F)ccc2OCC(=O)N2CCCC2)c1,ASCHPCMIXMUGNE-UHFFFAOYSA-N
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-rxn:4:183751:223180,CCCOC(=O)CN1C(=O)C(=Cc2cccc(-c3ccc(C(=O)NOC)c(F)c3)c2)SC1=S,USJSCIOZRVYQOC-UHFFFAOYSA-N
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-rxn:4:183772:226725,O=C(COc1cc(OC(F)(F)F)ccc1-c1cccc(OCC(F)(F)F)c1)N1CCCC(F)(F)C1,PYRWZPSEMHCFGD-UHFFFAOYSA-N
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-rxn:4:183869:223712,COc1ccc(-c2ccc(CC(=O)N3CCC(OCC4CC4)C3)cc2)cc1C12CC3CC(CC(C3)C1)C2,YFCITPBPOVBSPH-UHFFFAOYSA-N
-rxn:4:183903:223166,CC(C)(C)OC(=O)Oc1cc(-c2ccc(N3CCNCC3)nc2)cnc1C#C[Si](C)(C)C,QNYCFAVTRXIDDL-UHFFFAOYSA-N
-rxn:4:183928:226714,CC(c1ccc(-c2ccnn2C(=O)OC(C)(C)C)cc1)N(C(=O)OC(C)(C)C)C1CC1,YHWFHYWDXZOYRR-UHFFFAOYSA-N
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-rxn:4:183961:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2ccc(OC[C@@H]3CCCN3C(=O)OC(C)(C)C)cc2)cc1,SLEWIZAOZDSHEL-NRFANRHFSA-N
-rxn:4:183967:225268,CCCOc1cc(-c2ccc(Cl)c(OCC3CCN(C(=O)OC(C)(C)C)C3)c2)cc(C(F)(F)F)c1,IHJXWYDFJGEZDG-UHFFFAOYSA-N
-rxn:4:183969:226177,CCOC(=O)C1CCN(S(=O)(=O)c2ccc(-c3ccnc(C4CCCCC4)c3)c(OC)c2)CC1,GIWIBXJHVRBECY-UHFFFAOYSA-N
-rxn:4:183980:224188,CCOc1cc(C=C2N=C(c3ccc(-c4ccc(C(=O)N(C(C)C)C(C)C)cc4Cl)cc3)OC2=O)ccc1OC(C)=O,KTPLIRGCJGRIDR-UHFFFAOYSA-N
-rxn:4:183983:222897,CCCCNS(=O)(=O)c1cccc(-c2ccc(C)c(CN(C(=O)OC(C)(C)C)C(C)C)c2)c1,APZCSEHXDHUSBJ-UHFFFAOYSA-N
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-rxn:4:184031:224971,CN1CCN(Cc2ccc(-c3cc(F)cc(OCC4CCCN(C(=O)OC(C)(C)C)C4)c3)cc2)CC1,FMQVEQNCCMEGGR-UHFFFAOYSA-N
-rxn:4:184033:226896,COCn1cc(-c2ccc(S(=O)(=O)OC3CCCN(C(=O)OC(C)(C)C)C3)cc2)c(C(F)(F)F)n1,KFTJNTNDPNEEDK-UHFFFAOYSA-N
-rxn:4:184039:225227,CC1CCN(c2ncc(-c3cccc(C(=O)N4CCC(COCc5ccc(Cl)cc5)CC4)c3)cc2Cl)CC1,ZSZYBIUDEFRXGZ-UHFFFAOYSA-N
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-rxn:4:187969:222677,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc(F)cc3CNC(=O)OC(C)(C)C)cccc21,BRNSHBFCVUNOLD-UHFFFAOYSA-N
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-rxn:4:188648:223815,Cc1cc(OC(F)F)cc([N+](=O)[O-])c1-c1ccc(Cl)c(CN2CCC3(CC2)OCCO3)c1,DOMJHQKPBNZZGG-UHFFFAOYSA-N
-rxn:4:188929:223972,CC1CCCCN1c1ccc(-c2cc(C(F)(F)F)cnc2OC2COC2)c(C(F)(F)F)c1,DFEVAVQEUSVWEJ-UHFFFAOYSA-N
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-rxn:4:189164:224368,CN(C(=O)OC(C)(C)C)c1cc(-c2ccc(C(=O)CN3C(=O)CSC3=O)cc2)cnc1Cl,FTHSWUSHTIJZMX-UHFFFAOYSA-N
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-rxn:4:189378:223928,CN(C)S(=O)(=O)c1cc(-c2cnc3c(c2)CN(C(=O)OC(C)(C)C)CC3)cc(C(F)(F)F)c1,RPTHYEMSXFVLBG-UHFFFAOYSA-N
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-rxn:4:189818:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(C2CCCN2CC(F)F)cc1,YFOUVGKSINVFOV-UHFFFAOYSA-N
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-rxn:4:190007:223946,CCN(C(=O)OC(C)(C)C)c1ccc(-c2ccc(CC(=O)N3CCCCC3)c(F)c2)c(Cl)c1,RDPKJNLEMNWRJM-UHFFFAOYSA-N
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-rxn:4:190155:223954,COc1ccc(-c2ccc(OCCN3CCC(=O)CC3)c(F)c2)cc1S(=O)(=O)N1CCC(=O)CC1,AIICBZRDNWZLIS-UHFFFAOYSA-N
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-rxn:4:190379:222622,CCC(C)c1cc(-c2ccc(S(=O)(=O)N3CCCC(C)C3)cc2OC)cc(C2CCCNC2)n1,YWFWAJUGBQUVJV-UHFFFAOYSA-N
-rxn:4:190411:223902,Cc1cc(CC(=O)N2CCC(C)CC2)ccc1-c1ccc(OCCN2CCC(C)CC2)c(F)c1,ANKHANUVKLLCKT-UHFFFAOYSA-N
-rxn:4:190471:224868,Cc1cc(S(=O)(=O)N(C)C2CCCCC2)c(C)cc1-c1cccc(OCC2CCCCC2)c1,DJLKWHFFVBHZKA-UHFFFAOYSA-N
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-rxn:4:190475:223097,CNC(=O)c1cc(-c2ccc(C3CCCN3C(=O)C3CCCCC3)cc2)cc([N+](=O)[O-])c1,UOFRZPOSGHCBKS-UHFFFAOYSA-N
-rxn:4:190678:223687,CCOC(=O)C1C=Nc2cc(-c3cnc(N4CCN(C(=O)OC(C)(C)C)CC4)nc3)ccc2C1=O,KJZUEUUFDOEKJY-UHFFFAOYSA-N
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-rxn:4:190842:223809,COC(=O)c1ccc(N2C(=O)c3ccc(-c4cc(N5CCOCC5)cc(N5CCOCC5)c4)cc3C2=O)cc1,LPCCPYPMEYPKNC-UHFFFAOYSA-N
-rxn:4:190886:223562,Cc1c(-c2ccc(CC3CCN(C(=O)OC(C)(C)C)CC3)cc2)c2ccccc2n1C(=O)OC(C)(C)C,DSXUMUWCLJGESN-UHFFFAOYSA-N
-rxn:4:190903:224817,CC(C)(C)OC(=O)N1CCOc2cccc(-c3ccccc3S(=O)(=O)N3CCOCC3)c21,JBEBYALPALOMDK-UHFFFAOYSA-N
-rxn:4:190926:224485,CC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CCC3=O)c1,GGEFGXSVTGGNCL-UHFFFAOYSA-N
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-rxn:4:190956:222393,CC(C)(C)OC(=O)N1CCCc2ccc(-c3cccc(C(=O)N[C@H]4CC[C@H](O)CC4)c3)cc21,RFZVJKJIYCJCIP-YHBQERECSA-N
-rxn:4:190961:222913,CC(C)(C)OC(=O)N1CCCc2cc(-c3ccc(CNS(=O)(=O)C4CC4)cc3)c(F)cc21,JOQBFMFIIHYECB-UHFFFAOYSA-N
-rxn:4:190975:222945,CC(C)NS(=O)(=O)c1ccc(-c2ccc3c(c2)C(F)(F)CCN3C(=O)OC(C)(C)C)cc1F,JRYZJJTZQORDKA-UHFFFAOYSA-N
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-rxn:4:190976:223080,CC(C)NS(=O)(=O)c1ccc(-c2ccc3c(c2)C(F)(F)CN(C(=O)OC(C)(C)C)C3)cc1,QMLRSDFEHGACPD-UHFFFAOYSA-N
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-rxn:4:191039:222752,Cc1cc(NC(=O)OC(C)(C)C)ccc1-c1ccc2c(c1)C(C)(C)CN2C(=O)OC(C)(C)C,OHUMEIGOZCRKOU-UHFFFAOYSA-N
-rxn:4:191057:225453,CC(C)(C)OC(=O)N1Cc2cc(-c3cccc(SC4CCCCC4)c3)ccc2C2(CC2)C1,FBLABGMIYIZDDG-UHFFFAOYSA-N
-rxn:4:191062:223215,CS(=O)(=O)C1CC2CCC(C1)N2S(=O)(=O)c1ccccc1-c1ccc2c(c1)NC(=O)CC2,RKMNBKYUNPZSFU-UHFFFAOYSA-N
-rxn:4:191062:223281,CS(=O)(=O)C1CC2CCC(C1)N2S(=O)(=O)c1ccccc1-c1ccc(C2(O)COC2)nc1,GGFHJXINNNCCPQ-UHFFFAOYSA-N
-rxn:4:191062:226512,CS(=O)(=O)C1CC2CCC(C1)N2S(=O)(=O)c1ccccc1-c1ccncc1OCC1CCO1,VNDIBHQPBXOCDI-UHFFFAOYSA-N
-rxn:4:191063:223973,CC1CCCN(c2ccc(-c3ccc4c(c3)OC3(CC4=O)CN(C(=O)OC(C)(C)C)C3)c(C(F)(F)F)c2)C1,FVNZTJDXGBLTMS-UHFFFAOYSA-N
-rxn:4:191069:225883,Fc1cc(-c2cnc(C3CCOCC3)c(Cl)c2)cc2c1OCCN2CCC1CCCCC1,YKJUJALHWACDNG-UHFFFAOYSA-N
-rxn:4:191070:222769,COC(=O)c1ccc2c(C3CCCCC3)c(-c3ccc(C(=O)NC4CCCC4)c(F)c3)n(C)c2c1,RRSMFXOGWNQRQT-UHFFFAOYSA-N
-rxn:4:191073:224603,CC(C)(C)OC(=O)N1CCC2(C1)OCc1ccc(-c3cccc4c3cnn4C3CCCCO3)cc12,DCQZDVMNDAACPB-UHFFFAOYSA-N
-rxn:4:191087:225108,CCN(CC)C(=O)c1ccc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CCC3(C)C)c(F)c1,DQPSAFZYAFFKTM-UHFFFAOYSA-N
-rxn:4:191088:225556,CC(C)(C)OC(=O)c1cccc(-c2ccc3c(c2)C(C)(C)CCN3C(=O)OC(C)(C)C)c1,JGRGMHWCFPOQQL-UHFFFAOYSA-N
-rxn:4:191089:222881,CC(C)(C)NC(=O)c1ccc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3(C)C)c(F)c1,STBNUGWWOQUPEF-UHFFFAOYSA-N
-rxn:4:191094:223183,CNS(=O)(=O)c1ccc(-c2ccc3c(c2)C2(CCCC2)C(=O)N3C(=O)OC(C)(C)C)c(C)c1,QYQGKRRFPQKQKM-UHFFFAOYSA-N
-rxn:4:191119:225436,CC(C)(C)OC(=O)N1CCC2(CC1)Cc1ccc(-c3ccc(CN4CCCCC4)cc3)cc1C2=O,IEQWYSFQVQLHIF-UHFFFAOYSA-N
-rxn:4:191122:222725,CCNS(=O)(=O)c1ccc(-c2ccc3c(c2)C(C)=CC(C)(C)N3S(=O)(=O)c2ccc(OC)cc2)c(C(F)(F)F)c1,JYRJXYQAODYZOZ-UHFFFAOYSA-N
-rxn:4:191123:224566,COC(=O)C1(c2ccc(-c3cccc4c3C3(CC4)CCN(C(=O)OC(C)(C)C)CC3)cc2)CCCC1,PPWXIYCJSFUUBX-UHFFFAOYSA-N
-rxn:4:191125:225555,CC(C)(C)OC(=O)c1ccc(-c2ccc3c(c2)CCC32CCN(C(=O)OC(C)(C)C)CC2)cc1,ZRJYGJGCGWIEOP-UHFFFAOYSA-N
-rxn:4:191130:227936,CC(C)(C)OC(=O)N1CCC2(CCc3ccc(-c4cccc(SC5CC5)c4)cc3O2)CC1,ZUFNJKKIEOMNLH-UHFFFAOYSA-N
-rxn:4:191140:222542,CCOC(=O)c1nc2c(s1)CCOc1cc(F)c(-c3ccc(C)c(OCCCN4CCNCC4)c3)cc1-2,VMECIHGGRIZSKH-UHFFFAOYSA-N
-rxn:4:191156:223597,COC(=O)c1ccc(C2c3c(oc4ccc(-c5ccc(OCCN6CCC7(CC6)OCCO7)c(Cl)c5)cc4c3=O)C(=O)N2C)cc1,APWXAGRSXGANPF-UHFFFAOYSA-N
-rxn:4:191188:224391,Cc1cc(S(=O)(=O)N2CCOCC2)ccc1-c1ccc2oc3c(c(=O)c2c1)C(c1ccccc1F)N(CC1CCCO1)C3=O,HSBDWNRERDXTOF-UHFFFAOYSA-N
-rxn:4:191189:222989,COc1ccc2c(c1)C1CC(C)(O2)N(C)C(=O)C1S(=O)(=O)c1ccc(-c2ccc(N3CCNCC3)cc2C)cc1,AHCXJPACYWLPCC-UHFFFAOYSA-N
-rxn:4:191982:223481,CCCc1cc(-c2ccc(S(=O)(=O)N3CCC(O[Si](C)(C)C(C)(C)C)CC3)cc2F)c(F)cn1,BUSIHXHEHVAUJR-UHFFFAOYSA-N
-rxn:4:192531:223526,CN(C)S(=O)(=O)c1cccc(-c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cc2)c1,ZYGRIOBATASLIG-UHFFFAOYSA-N
-rxn:4:192738:223534,CC(C)(C)OC(=O)N1CCC(Oc2cc(-c3ccccc3C3(C#N)CCOC3)c(F)cn2)CC1,MBUKLLCRBKKSQZ-UHFFFAOYSA-N
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-rxn:4:193507:224713,CCCCOc1ccc(-c2cccc(C(=O)N3CCC(F)(F)CC3)c2Cl)c(C(F)(F)F)c1,JHHZTYYVVVEMAA-UHFFFAOYSA-N
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-rxn:4:193518:222856,COc1ccc(C2CCNCC2)cc1-c1ccc(S(=O)(=O)N=C2C=CC(=O)C=C2C)cc1,VAIVZXACSAKQDB-UHFFFAOYSA-N
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-rxn:4:202310:225886,CS(=O)(=O)n1ccc2cc(-c3ccc(S(=O)(=O)N4CCCSCC4CN4CCOCC4)cc3)ccc21,OIAOQRZVAHPWRY-UHFFFAOYSA-N
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-rxn:4:202352:226607,Cc1cc(S(=O)(=O)N2CCOC23CCN(C(=O)c2ccccc2-c2cc(Cl)cc(OC(C)C)c2F)CC3)ccc1F,YSCDHUOZQIOPJS-UHFFFAOYSA-N
-rxn:4:202443:222524,CC(C)(C)OC(=O)n1c(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC(O)CC2)cc2ccc(C#N)cc21,FHJULNCGOWKXMH-UHFFFAOYSA-N
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-rxn:4:202554:222857,COC(=O)CN1C(=O)CN=C(c2ccccc2Cl)c2cc(-c3cc(OC)cc(C4CCNCC4)c3)ccc21,YJKTXXZTCMMNSQ-UHFFFAOYSA-N
-rxn:4:202567:222473,CCCC(=O)N=C1SC2CS(=O)(=O)CC2N1c1ccc(-c2ccc(C(=O)NCc3ccccc3)cc2OC)cc1,JFSANWKZGOKOJL-UHFFFAOYSA-N
-rxn:4:202603:227580,CCC1SC2=NC(C)=C(C(=O)OC)C(c3ccccc3-c3cc(OC)c(OC)cc3Cl)N2C1=O,QSSLGBKKTAHZGW-UHFFFAOYSA-N
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-rxn:4:202658:224366,CC(C)(C)OC(=O)N1CCC(c2cncc3ccc(-c4ccc(OC(F)(F)F)c(OCC5CC5)c4)cc23)C1,YTDXYUULFSODQH-UHFFFAOYSA-N
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-rxn:4:202707:223691,CSc1cccc(N2C(=O)N(Cc3ccc(-c4cc(OCc5cccnc5)c(C(F)(F)F)cc4Cl)cc3F)C3CS(=O)(=O)CC32)c1,XLSUHVSUDMJURV-UHFFFAOYSA-N
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-rxn:4:203613:224398,COC(=O)c1nc(N2CCC(F)(F)C2)ccc1-c1cc(S(=O)(=O)N2CCCC2)c(C)cc1F,SHCNWKRSPJUCQO-UHFFFAOYSA-N
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-rxn:4:203758:224349,O=[N+]([O-])c1c(F)cc(-c2ccc(N3CCCCC3)c(C(F)(F)F)c2)cc1N1CCC(C(F)(F)F)CC1,WDVBXCVEXLAOOF-UHFFFAOYSA-N
-rxn:4:203760:225890,C[Si](C)(C)CCOCn1cc(-c2cc(N3CCC(C(F)(F)F)CC3)c([N+](=O)[O-])cc2F)cn1,GZTSALYGEPKCEQ-UHFFFAOYSA-N
-rxn:4:203799:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3cccc(CC4CCCN(C(C)=O)C4)n3)cc2)CC1,FSNKFOINRSGJSL-UHFFFAOYSA-N
-rxn:4:203800:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3cccc(CC4CCN(C(C)=O)CC4)n3)cc2)CC1,GPNNPBVXHHLWFU-UHFFFAOYSA-N
-rxn:4:203878:223810,Cc1cc(-c2ccc([N+](=O)[O-])cc2CN2CCC(C)CC2)cc(C)c1S(=O)(=O)N1CCC(C)CC1,HWJYFDHHUJCWGC-UHFFFAOYSA-N
-rxn:4:203912:223732,CCN1C(=O)C(=Cc2cc(-c3ccccc3COc3cc(C)ccc3C(C)C)cc(Cl)c2OC)N(C)C1=S,JTEXEZLETUKUIK-UHFFFAOYSA-N
-rxn:4:203938:222901,CCCS(=O)(=O)NCc1ccc(-c2ccc(N3CCN(S(=O)(=O)C4CC4)CC3)cc2)cc1,SCPZIWKZELDOBU-UHFFFAOYSA-N
-rxn:4:203957:222776,CC(C)C(=O)N1CCN(c2cccc(-c3ccc(CN4CCC(O)CC4)cc3F)c2)CC1,LPPPRKNKGASQNM-UHFFFAOYSA-N
-rxn:4:203966:224750,CN(C)C1CCN(C(=O)c2ccc(Cl)c(-c3ccc(Cl)c(C(=O)N4CCOCC4)c3)c2)CC1,MNNUVHFBNJFRSR-UHFFFAOYSA-N
-rxn:4:203967:223809,CN(C)C1CCN(C(=O)c2cc(-c3cc(N4CCOCC4)cc(N4CCOCC4)c3)ccc2Cl)CC1,HLPUBDXHWAXBQE-UHFFFAOYSA-N
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-rxn:4:204035:224606,CCCOc1cc(-c2ccc(C(F)(F)F)c(N3CCC(N(C)C)CC3)c2)cc(Cl)c1OC(C)C,AVELVJHNRFJWPJ-UHFFFAOYSA-N
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-rxn:4:204055:222935,CN(C)S(=O)(=O)NCc1ccc(-c2ccc(C(=O)N3CCCN(C4CCSC4)CC3)o2)cc1,BASQRJRJVUQTHI-UHFFFAOYSA-N
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-rxn:4:204104:222848,CCc1cc(-c2cccc(N3CCN(C(=O)C4CCCC4)CC3)c2)cc(C2CCCNC2)n1,YAMPDABFOHTBMP-UHFFFAOYSA-N
-rxn:4:204114:222942,O=C(c1ccc(-c2ccc(S(=O)(=O)NC3CC3)c(F)c2)o1)N1CCCN(C2CCSCC2)CC1,JUQNFQRDIDZMBA-UHFFFAOYSA-N
-rxn:4:204114:222943,O=C(c1ccc(-c2ccc(F)c(S(=O)(=O)NC3CC3)c2)o1)N1CCCN(C2CCSCC2)CC1,AKPTXTBAXYMWLD-UHFFFAOYSA-N
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-rxn:4:204130:224666,CN1CCN(Cc2cc(-c3ccc(C4=NC5(CCCC5)N(C(=O)c5ccc(F)cc5)C4=S)cc3)ccc2F)CC1,CDICQLBYFBZUJX-UHFFFAOYSA-N
-rxn:4:204131:223069,CCCS(=O)(=O)Nc1cccc(-c2ccc(CN3CCC(N4CCOCC4)CC3)cc2)c1,OHZVYVPJZZJMAH-UHFFFAOYSA-N
-rxn:4:204157:222439,Cc1cccc(C)c1N1CCN(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)NC4CCCCC4)cc3C(F)(F)F)cc2)CC1,FBPDVRDGBIMHMZ-UHFFFAOYSA-N
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-rxn:4:204167:227611,CC1CCCN(Cc2ccc(-c3ccnn3C3CCCCO3)cc2N2CCOCC2)C1,JZYCOROGDIREAP-UHFFFAOYSA-N
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-rxn:4:204496:222918,CC(C)(C)NS(=O)(=O)c1cccc(-c2nc3c(s2)C(=O)CN(C(=O)OC(C)(C)C)C3)c1,DNICTDZEUANUJV-UHFFFAOYSA-N
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-rxn:4:204600:224563,Cc1ccc(-c2ccc3c(n2)CN(C(=O)OC(C)(C)C)CC3)c(O[Si](C)(C)C(C)(C)C)c1,IGQBAZIPABRGQW-UHFFFAOYSA-N
-rxn:4:204680:224614,CN(C(=O)OC(C)(C)C)c1ccc(-c2ccc3c(n2)CCN(C(=O)OC(C)(C)C)CC3)cc1,AEIKNNNUKWQYOE-UHFFFAOYSA-N
-rxn:4:204700:223162,CNC(=O)c1ccc(OC)c(-c2ccc(C(=O)N3CC(N4C(=O)C5CC=CCC5C4=O)C3)o2)c1,YWGVSGNKKWCYCF-UHFFFAOYSA-N
-rxn:4:204738:226224,CCCN1C(=O)C(=C2SC(=S)N(C(C)C)C2=O)c2cc(-c3ccc(OCCOCC)cc3)ccc21,FKNFLQAWQJLVSN-UHFFFAOYSA-N
-rxn:4:204764:228742,N#Cc1cc(Cl)cc(-c2ccc(S(=O)(=O)N3CC(N4C(=O)C5CC=CCC5C4=O)C3)cc2)c1,GQLCASIBEUHFFW-UHFFFAOYSA-N
-rxn:4:204804:227438,O=C1CCC(=O)N1C1CC2CCC(C1)N2S(=O)(=O)c1ccccc1-c1ccnc(C2CCOC2)c1,AOQUCOZXQVOIMJ-UHFFFAOYSA-N
-rxn:4:204860:224411,COc1ccc(-c2ccc(S(=O)(=O)N(C)C)cc2C(F)(F)F)c(C(=O)N2C3CCC2CC2(C3)CN(C)C(=O)CO2)c1,SGNLWUFWPJNGOW-UHFFFAOYSA-N
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-rxn:4:204955:222409,COc1ccc(C2=NN3C(C2)c2cc(-c4ccc(OC)c(S(N)(=O)=O)c4)ccc2OC3C2CCCCC2)cc1,URAUHAHLELMDNZ-UHFFFAOYSA-N
-rxn:4:205137:223542,CN1CCN(S(=O)(=O)c2cc(-c3nc(C(F)(F)F)ccc3[N+](=O)[O-])ccc2OC(F)(F)F)CC1,YCRMFJIKYUWWAM-UHFFFAOYSA-N
-rxn:4:205973:223838,CN(C)S(=O)(=O)N1CCN(c2ccc(-c3ccccc3N3N=C(C(F)(F)F)CC3=O)cc2)CC1,UEVAAYJUXRVUEW-UHFFFAOYSA-N
-rxn:4:206281:223502,Cc1ccc(-c2nc(C(F)(F)F)c[nH]2)cc1-c1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c(F)c1,VTXFTJSIAUBEGE-UHFFFAOYSA-N
-rxn:4:206435:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cnc(Cl)cc3C(=O)N3CCSCC3)ccn2)CC1,FSPUNIASLOACMT-UHFFFAOYSA-N
-rxn:4:206437:223669,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cc(C(=O)N4CCSCC4)cnc3Cl)cn2)CC1,KFTFOHDVYSUCTM-UHFFFAOYSA-N
-rxn:4:206437:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cc(C(=O)N4CCSCC4)cnc3Cl)ccn2)CC1,KPCQTBOLIHQFAO-UHFFFAOYSA-N
-rxn:4:206441:223902,CC1CCN(CCOc2ccc(-c3nc(C(=O)N4CCOCC4)ccc3F)cc2F)CC1,RSXNXDATASZCSJ-UHFFFAOYSA-N
-rxn:4:206445:223911,CCOC(=O)C1(c2ccc(-c3cc(Cl)cnc3C(=O)N3CCOCC3)cc2)CCOCC1,JDMDESGCOXJDMF-UHFFFAOYSA-N
-rxn:4:206509:223957,CC(C)(C)[Si](C)(C)OCc1c(F)cc(-c2cccc(N3CCOCC3)c2[N+](=O)[O-])cc1F,LMNYOYPMIOJAGR-UHFFFAOYSA-N
-rxn:4:206635:223959,CCN1CCN(C(=O)c2cc(-c3cccc(N4CCC(F)(F)CC4)c3C#N)ccc2Cl)CC1,RVIYIQHZXOAZON-UHFFFAOYSA-N
-rxn:4:206640:223506,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cccc(-c3cccc(N4CCCC(F)(F)C4)c3C#N)c2)CC1,YFOIKPCZCMMPKL-UHFFFAOYSA-N
-rxn:4:206720:223842,CC1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2cc(F)c([N+](=O)[O-])c(N3CCCCC3)c2)CC1,BFVBJGRXKFAGMP-UHFFFAOYSA-N
-rxn:4:206848:223569,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(F)c(-c3cccc(N4CCCCCC4)c3C#N)cnc21,FDCJNYGQKHKFIP-UHFFFAOYSA-N
-rxn:4:206962:224485,CC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2ccc(C3CCCN(S(C)(=O)=O)C3)nc2)c1,CRWKWOZPZDWLTJ-UHFFFAOYSA-N
-rxn:4:206964:223687,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3ccc(C4CCN(S(C)(=O)=O)CC4)nc3)cn2)CC1,BSBPCEJAINOBON-UHFFFAOYSA-N
-rxn:4:206967:224089,CC1CCN(CCOc2ccc(-c3cc(F)c([N+](=O)[O-])c(N4CCC(C)CC4)c3)cc2)CC1,BWGKHXMOLJIIKW-UHFFFAOYSA-N
-rxn:4:206976:224804,CC(C)Oc1ccc(-c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2F)cc1OC(F)(F)F,IHAYDLZAAONTOG-UHFFFAOYSA-N
-rxn:4:206981:222707,Cc1cc(-c2ccnc(CNC(=O)OC(C)(C)C)c2F)cnc1N1CCC(C(F)(F)F)CC1,GMMDYKQGXPGUOH-UHFFFAOYSA-N
-rxn:4:207057:222730,CCCc1cc(-c2ccc(C)c(S(=O)(=O)N3CCN(C)CC3)c2)cc(C2CCNCC2)n1,JICJAYFXXZJQRG-UHFFFAOYSA-N
-rxn:4:207072:222522,COc1ccc(-c2ccc(C3CC3)c(N3CCN(C)CC3)c2)cc1S(=O)(=O)N1CCC(O)CC1,ZLEANFUAVFDLIV-UHFFFAOYSA-N
-rxn:4:207090:225453,CC1CCN(C2CC(=O)N(c3ccc(-c4cccc(SC5CCCCC5)c4)cc3)C2=O)CC1,APQLHCSQDICJGA-UHFFFAOYSA-N
-rxn:4:207623:223992,Cc1ccc(-c2ccc(OC3CN4CCC3CC4)nc2)cc1S(=O)(=O)N1CCN(C)CC1,AXUQGXRBJSYGKZ-UHFFFAOYSA-N
-rxn:4:207732:223698,Cc1ccc(N2C=C(C#N)S(=O)(=O)c3ccc(F)cc32)c(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCCC3)c2)c1,YCTSPODZGDFBOE-UHFFFAOYSA-N
-rxn:4:207779:224391,Cc1cc(S(=O)(=O)N2CCOCC2)ccc1-c1ccc(S(=O)(=O)N2CCN3CCC2CC3)cc1,AQMOYQJHKLDHON-UHFFFAOYSA-N
-rxn:4:207788:224731,CC(C)(C)COS(=O)(=O)c1cccc(-c2ccc(C3SC[C@H]4C(=O)N(c5ccc(Cl)cc5)C(=S)N34)cc2)c1,YGEMHGSRENLPSJ-QSAPEBAKSA-N
-rxn:4:207796:224462,CN1CCN(S(=O)(=O)c2cc3cc(-c4ccc(C5CCN(C6CC6)CC5)cc4)ccc3oc2=O)CC1,JPWUANDBUAEDFI-UHFFFAOYSA-N
-rxn:4:207851:222741,Cc1cccc(N2C(=O)N(c3ccc(-c4cc(C5CC5)nc(C5CCCNC5)c4)cc3)C3CS(=O)(=O)CC32)c1,WQSPDYXTAJKDNY-UHFFFAOYSA-N
-rxn:4:207854:225654,CC1CCCN(c2ccc(-c3ccc4c(c3)CCN4C3CCN(C4CCC4)CC3)cn2)C1,FWVFGVDLDMISEA-UHFFFAOYSA-N
-rxn:4:207854:225828,c1cc2c(cc1-c1cnc(N3CCCCCC3)nc1)CCN2C1CCN(C2CCC2)CC1,XNBURZOGUNWTBW-UHFFFAOYSA-N
-rxn:4:207856:225210,Cc1nc(N2CCC(C)CC2)ncc1-c1ccc2c(c1)CCCC2N1CCN(C(C)C)CC1,XWLMMMUFWOTUBT-UHFFFAOYSA-N
-rxn:4:207959:226007,Cc1ccc(C2=NN3C(C2)c2cc(-c4ccc(F)c(OCC(F)(F)F)c4)ccc2OC3C2CCCCC2)cc1,DUWGXJSPRMDJII-UHFFFAOYSA-N
-rxn:4:207959:226158,Cc1ccc(C2=NN3C(C2)c2cc(-c4ccccc4N4CCCCC4)ccc2OC3C2CCCCC2)cc1,ZALMYZFZWBDXTO-UHFFFAOYSA-N
-rxn:4:210660:223506,CC12CC(c3ncc(-c4cccc(S(=O)(=O)N5CCN(C(=O)OC(C)(C)C)CC5)c4)cn3)(C1)C2,HUQUNQYLADXXBX-UHFFFAOYSA-N
-rxn:4:210681:222522,COc1ccc(-c2ccc(C3=CSC4=NCCN34)cc2)cc1S(=O)(=O)N1CCC(O)CC1,YKVLVMCXQHAEOK-UHFFFAOYSA-N
-rxn:4:211060:224765,CN1CCN(C2CCCc3cc(-c4cc(C(F)(F)F)ccc4N4CCCC4)ccc32)CC1,BDPMKPSRGPYUHX-UHFFFAOYSA-N
-rxn:4:211101:225408,Cc1ccc(C2=NN3C(C2)c2cc(-c4cc5c6c(c4)CCCN6CCC5)ccc2OC32CCC(C)CC2)cc1,JBEJSKCNYLDFPO-UHFFFAOYSA-N
-rxn:4:212506:224325,COCCCN(C)c1ncc(-c2ccc(C3=CCN(S(C)(=O)=O)CC3)cc2)cc1[N+](=O)[O-],ARDOWFUPGBAFKY-UHFFFAOYSA-N
-rxn:4:212541:224279,CC(C)(C)OC(=O)N1CC(COc2cncc(-c3ccc4c(c3)ncn4C(=O)OC(C)(C)C)n2)C1,CUMOYUDDVNSOLY-UHFFFAOYSA-N
-rxn:4:212584:225573,COC(=O)c1cc(-c2cn(C)nc2CN(C(=O)OC(C)(C)C)C(C)C)cc(C2CC2)c1,YMIDNHNYRKLZSX-UHFFFAOYSA-N
-rxn:4:212585:224967,COC(=O)c1cc(-c2cnn(C)c2CN(C(=O)OC(C)(C)C)C(C)C)cc(C(C)(C)C)c1,OOGGVHCKUAYTAD-UHFFFAOYSA-N
-rxn:4:212586:223873,COc1cccc(C(=O)N2CC(Cn3cc(-c4ccccc4CCC(=O)N4CCC(C)CC4)cn3)C2)c1OC,WJYAMCOCDVGQOL-UHFFFAOYSA-N
-rxn:4:212588:224198,CCN1CCN(Cc2ccc(-c3ccccc3CCC(=O)N3CCC(Oc4nncs4)CC3)c(F)c2)CC1,CNODAMZDMKTMGX-UHFFFAOYSA-N
-rxn:4:212594:223258,COC(=O)Nc1cccc(-c2cnc(OC3CCN(C(=O)CSC4CCCC4)C3)nc2)c1,WRXUBYCXSLDYRB-UHFFFAOYSA-N
-rxn:4:212616:225369,COC(=O)c1cc(-c2cncc(C(=O)OCC(=O)N3CCN(c4ccccc4F)CC3)c2)c(Cl)c([N+](=O)[O-])c1,ULRYGHFFMQEKAY-UHFFFAOYSA-N
-rxn:4:212626:222986,Cc1cc(-c2ccc(S(=O)(=O)N3CCC(COc4cc(C#N)ccn4)CC3)cc2)cc(C2CCCNC2)n1,IXRZHTHZRFINOA-UHFFFAOYSA-N
-rxn:4:212628:226843,O=C(Cc1cccc(C(F)(F)F)c1)N1CCCC(Oc2ncc(-c3ccc(C(=O)C(F)(F)F)nc3)cn2)C1,IUKAMDDJAYSSMD-UHFFFAOYSA-N
-rxn:4:212635:227235,CCOc1ccc(-c2cnn(C)c2CN(C(=O)OC(C)(C)C)C2CCCC2)cc1C#N,WNCSZCIMLHXVQW-UHFFFAOYSA-N
-rxn:4:212650:223787,CN1CCN(CCCOc2ccc(-c3cnc(OCC4CCCN(C(=O)CC(C)(C)C)C4)nc3)cc2F)CC1,UXZHLQLRKQYBKR-UHFFFAOYSA-N
-rxn:4:212658:227274,COC(=O)c1ncc(-c2ccc(CSC(C)=O)cc2)cc1N1CCN(C(=O)OC(C)(C)C)CC1,SZOONXDZKVEGLL-UHFFFAOYSA-N
-rxn:4:212693:225901,Cc1nn(C(=O)OC(C)(C)C)cc1-c1cncc(CC(=O)N2CCN(C(=O)OC(C)(C)C)CC2C)c1,SMSINXSUMPTLBG-UHFFFAOYSA-N
-rxn:4:212695:222740,CC(C)c1cc(-c2ccccc2CCC(=O)N2CCC(S(=O)(=O)c3nccn3C)CC2)cc(C2CCCNC2)n1,DFWRDTODWSIOGK-UHFFFAOYSA-N
-rxn:4:212704:222509,Cc1ccc(Cl)cc1NC(=O)c1cc(F)cc(-c2cccc(N(C)CC3CCN(C(=O)OC(C)(C)C)CC3)n2)c1,TWFJCGYCLDPADG-UHFFFAOYSA-N
-rxn:4:212738:226823,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cnc(-c4cncs4)cc3F)cc2N2CCOCC2)CC1,CRDADDZAOGUVFL-UHFFFAOYSA-N
-rxn:4:212738:226824,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc(-c4nccs4)nc3F)cc2N2CCOCC2)CC1,UZJIHYGKRDHGIS-UHFFFAOYSA-N
-rxn:4:212738:228452,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cc4c(Cl)ncnc4s3)cc2N2CCOCC2)CC1,FVOUKPLKPOBYFS-UHFFFAOYSA-N
-rxn:4:212739:224784,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cc(OC(F)(F)F)cc4cccnc34)cc2N2CCCCC2)CC1,XNLXPMGASYRAKN-UHFFFAOYSA-N
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-rxn:4:212743:223239,CC(C)(C)OC(=O)N1CCC(CN2CCN(c3ccc(-c4cncc(C5CCCN5)c4)cc3)CC2)CC1,QOMLETRBNPLUFL-UHFFFAOYSA-N
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-rxn:4:213053:227965,Cc1ccnc(C(C)C)c1-c1cnc(OCC2CCCN(C(=O)C3CC(F)(F)C3)C2)nc1,SEMIUOZGRLDNOG-UHFFFAOYSA-N
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-rxn:4:213131:226244,CCCCOc1cccc(F)c1-c1cnc(OCC2CCN(C(=O)C(C)(C)C)CC2)nc1,AMYWUXNHTZPBTP-UHFFFAOYSA-N
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-rxn:4:213195:225547,CCCCOc1cc(F)c(C)cc1-c1cnc(OCC2CCN(C(=O)C3CCOCC3)CC2)nc1,USCGRTWTPPYNLA-UHFFFAOYSA-N
-rxn:4:213198:225947,CCn1cc(S(=O)(=O)N2CCSC2c2ccc(OC)c(-c3cnc(N4CCN(C)CC4)nc3)c2)nc1C,JQWZGGROKDSQEZ-UHFFFAOYSA-N
-rxn:4:213202:223993,Cc1ccc(OCC2CCN(S(=O)(=O)c3ccccc3-c3ccc(S(=O)(=O)N4CCN(C)CC4)c(C)c3)CC2)nn1,GJXDKWWKERKFQI-UHFFFAOYSA-N
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-rxn:4:213236:223539,COc1ccc(S(=O)(=O)N2CCCC(Oc3ncc(-c4ccc(OC)c(S(=O)(=O)N5CCC6(CC5)OCCO6)c4)cn3)C2)cc1C,BXSOAANPFVHORT-UHFFFAOYSA-N
-rxn:4:213253:223111,CC(C)c1n[nH]c2cccc(-c3cnccc3OC3CCN(C(=O)C4CCN(S(C)(=O)=O)CC4)C3)c12,SCUJZGYRFQSSBJ-UHFFFAOYSA-N
-rxn:4:213271:225205,COc1ccc(-c2cc(C3CC3)c(C(F)(F)F)cc2C)c(C(=O)N2CCC(N3CC(=O)N(C4CC4)C3=O)CC2)c1,VCDNWXZYNVCOLC-UHFFFAOYSA-N
-rxn:4:213289:226021,CC(C)(C)OC(=O)N1CCC(c2nc(C(C)(C)C)ncc2-c2cc(Cl)ccc2OCC(F)(F)F)CC1,AEAHTTYJMBKXTC-UHFFFAOYSA-N
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-rxn:4:213337:223812,CCCCC(=O)N1CCN(c2nc3ccc(-c4cc(F)cc(CN5CCC6(CC5)OCCO6)c4)cc3s2)CC1,SPVUSEDGNVKOIX-UHFFFAOYSA-N
-rxn:4:213337:225182,CCCCC(=O)N1CCN(c2nc3ccc(-c4ccnc(OC5CCCCC5)c4Cl)cc3s2)CC1,VHKWDVLETIYIIL-UHFFFAOYSA-N
-rxn:4:213337:225219,CCCCC(=O)N1CCN(c2nc3ccc(-c4cnc(N5CCCCC5C)cc4F)cc3s2)CC1,HDEKLRWGRVHDAE-UHFFFAOYSA-N
-rxn:4:213337:225300,CCCCC(=O)N1CCN(c2nc3ccc(-c4ccc(OC5CCOCC5)nc4F)cc3s2)CC1,IIQMZZJRJVCZFM-UHFFFAOYSA-N
-rxn:4:213355:224842,CC(C)CS(=O)(=O)C1CN(C(=O)c2c3ccc(-c4ccc5c(c4)C(C)(C)CCC5(C)C)cc3nn2C)C1,NHAFSBRRBKADBA-UHFFFAOYSA-N
-rxn:4:213360:225207,C#CCn1c(=NC(=O)c2ccc(N3C(=O)CCC3=O)cc2)sc2cc(-c3cc(C4CC4)cc(C(F)(F)F)c3C)ccc21,UERJDRWCCYLXIJ-UHFFFAOYSA-N
-rxn:4:213377:222389,CCCN1C(=O)C(=Cc2c(Oc3ccc(-c4cc(C5CCNCC5)nc(C5CCNCC5)c4)cc3)nc3ccccn3c2=O)SC1=S,UBWPOWJVUWOYGB-UHFFFAOYSA-N
-rxn:4:213412:227341,CC(C)CS(=O)(=O)C1CCN(C(=O)c2c3ccc(-c4cccc(OC(C)C)c4F)cc3nn2C)CC1,DYQMOKQYJNVZNS-UHFFFAOYSA-N
-rxn:4:213438:225355,COC(=O)c1ccc(-c2ccccc2S(=O)(=O)n2cc(CN3CCN(C)CC3)c3cc(OC)ccc32)c(C(F)(F)F)c1,LPLMJNKCTFWMKT-UHFFFAOYSA-N
-rxn:4:213660:223748,CCOC(=O)N1CCN(c2ccc(-c3cc(N4CCCCC4)cc(N4CCCCC4)c3)cn2)CC1,AMIVEWIJGOYQNC-UHFFFAOYSA-N
-rxn:4:213672:222546,CCOC(=O)N1CCN(c2ncc(Cl)cc2-c2ccc(OCCNC3CCCCC3)c(F)c2)CC1,ZBAOIIGYRJHCQR-UHFFFAOYSA-N
-rxn:4:213693:223180,CONC(=O)c1ccc(-c2cnn(C(C)C(=O)N3CCCC(C(F)(F)F)C3)c2)cc1F,PBFJLMBMJPSASM-UHFFFAOYSA-N
-rxn:4:213693:225172,CC(C(=O)N1CCCC(C(F)(F)F)C1)n1cc(-c2cc(CN3CCOCC3)ccc2F)cn1,GHIWKCGKGGUKFO-UHFFFAOYSA-N
-rxn:4:213713:224501,CN1CCCCC1COc1ccc(-c2cnc([C@@H]3CCCN3C(=O)OC(C)(C)C)[nH]2)cc1,GDPUMBNECRHABA-BPARTEKVSA-N
-rxn:4:213765:223506,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cccc(-c3cncc(C4CCN(C(=O)OC(C)(C)C)C4)n3)c2)CC1,RYNMYDPINYGQGR-UHFFFAOYSA-N
-rxn:4:213770:225943,CC(C)(C)OC(=O)N1CCC(c2ncc(-c3ccc(C(=O)N4CCOCC4)s3)cn2)C1,WGATVCWQYZGVNV-UHFFFAOYSA-N
-rxn:4:213794:225209,Cc1nc(N2CCCCC2C)ncc1-c1cnn(CC2CN(CC3CCCCO3)C2)c1,OWCGDLNRLBURHO-UHFFFAOYSA-N
-rxn:4:213798:225207,Cc1c(-c2cnc(C3CN(C(=O)OC(C)(C)C)CCO3)cn2)cc(C2CC2)cc1C(F)(F)F,ZBKDIGGELYKZFF-UHFFFAOYSA-N
-rxn:4:213801:224291,CC(C)(C)OC(=O)N1CCOC(c2cncc(-c3ccc(OCCN4CCOCC4)c(F)c3)n2)C1,ASWHAVSZXAFPHR-UHFFFAOYSA-N
-rxn:4:213802:223502,CN(C)S(=O)(=O)N1CCC(Oc2ncccc2-c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c(F)c2)CC1,HCVNJTPAPWXIAR-UHFFFAOYSA-N
-rxn:4:213817:222546,Cc1nc(C)c(C(=O)N2CCC(Oc3ccncc3-c3ccc(OCCNC4CCCCC4)c(F)c3)C2)s1,MDKDEYZNURYGDH-UHFFFAOYSA-N
-rxn:4:213836:223079,CC(C)NS(=O)(=O)c1cccc(-c2ccnn2C2CCCN(C(=O)OC(C)(C)C)C2)c1,SODFQBLZDFOFFH-UHFFFAOYSA-N
-rxn:4:213843:222922,CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccnc(N2CCN(C(=O)OC(C)(C)C)CC2=O)c1,PQMLFAOYFZPRAK-UHFFFAOYSA-N
-rxn:4:213860:222606,CC(C)(C)NC(=O)c1c(-c2ccc(S(=O)(=O)N3CCC(Oc4cnccn4)CC3)cc2)cccc1C(F)(F)F,KWLSACZHBRGRBK-UHFFFAOYSA-N
-rxn:4:213863:222695,Cc1ccc(-c2ccc(S(=O)(=O)N3CCCC(Oc4ncccn4)C3)cc2)cc1S(=O)(=O)NC1CCCC1,ZXVMAFNRSXPCJI-UHFFFAOYSA-N
-rxn:4:213873:225296,CC(C)N1CCN(Cc2cc([N+](=O)[O-])ccc2-c2ccc(S(=O)(=O)N3CCCC3)cc2)CC1,GBCKNBKINUAUOL-UHFFFAOYSA-N
-rxn:4:213882:224377,CN1CCN(S(=O)(=O)c2ccc(-c3cnn(CC4CN(CC5CCS(=O)(=O)CC5)C4)c3)cc2)CC1,GNPHNYHOXHKDEU-UHFFFAOYSA-N
-rxn:4:213885:222615,CC(C)Cc1cc(-c2nccc(C3CCCN(C(=O)OC(C)(C)C)C3)n2)cc(C2CCNCC2)c1,NFKZKRGAAYBJMW-UHFFFAOYSA-N
-rxn:4:213897:223062,CC(C)(C)OC(=O)N1CCN(c2ccncc2-c2cnc(C3CCNCC3)cc2F)CC1,HNZWNJLMDXOVNW-UHFFFAOYSA-N
-rxn:4:213907:222693,Cc1csc(CN2CCN(C(=O)c3cccc(-c4ccc(S(=O)(=O)NC5CCCCC5)cc4)c3)CC2)n1,CAJURMZKLWDNMZ-UHFFFAOYSA-N
-rxn:4:213932:224685,O=C1CCN(C(=O)c2cccc(-c3cnc(N4CCOC(C(=O)N5CCCC5)C4)c(C(F)(F)F)c3)c2)CC1,WGPMYIUPOLEEDW-UHFFFAOYSA-N
-rxn:4:213938:224819,O=S(=O)(c1ccc(-c2ccc(S(=O)(=O)N3CCN(c4ccc(C(F)(F)F)cn4)CC3)cc2)cc1)N1CCOCC1,VHZMNEODGJZCPL-UHFFFAOYSA-N
-rxn:4:213942:223685,Cc1nn(C2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccc(OC(F)(F)F)c(OCc2cccnc2)c1,OUALACIIQSYZGC-UHFFFAOYSA-N
-rxn:4:213944:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2cnc(C3CCN(C(=O)OC(C)(C)C)CC3C)[nH]2)cc1,YFTUKYMPYUKATF-UHFFFAOYSA-N
-rxn:4:213971:224505,Cc1nc(OCc2ccccc2)ccc1-c1cc(C(F)(F)F)cnc1N1CCOC(C(=O)N2CCOCC2)C1,PBBQXQSYNJTGAH-UHFFFAOYSA-N
-rxn:4:213973:224562,COc1cc(Oc2ccccc2)ccc1-c1cc(C(F)(F)F)cnc1N1CCOC(C(=O)N2CCSCC2)C1,XOXXQNKTABMWQP-UHFFFAOYSA-N
-rxn:4:213985:225053,Cc1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)c(-c2ccc(N3CCCCC3C)cc2F)c1,RSYBJMMRHSKFPS-UHFFFAOYSA-N
-rxn:4:214012:223695,Cn1ccnc1S(=O)(=O)C1CCN(S(=O)(=O)c2ccccc2-c2cccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)CC1,GIYZWMFJPKIWEZ-UHFFFAOYSA-N
-rxn:4:214024:224226,O=C(C1CCC(F)(F)CC1)N1CCC(Oc2ncc(-c3ccc(Cl)c(OCc4ccccc4)c3F)cn2)CC1,FLXSKRCLOPMNQT-UHFFFAOYSA-N
-rxn:4:214027:222916,O=C(NC1=NCCS1)c1cccc(-c2cnc(N3CCCC(C(=O)N4CCOCC4)C3)c(C(F)(F)F)c2)c1,IBFVUMXFCDPTKH-UHFFFAOYSA-N
-rxn:4:214033:225652,CC1CCCN(c2cncc(-c3cc(C4=N[C@@H](C(C)C)CO4)nc(C4=N[C@@H](C(C)C)CO4)c3)c2)C1,CSJYKOPZGRCTDX-VTFDQJKESA-N
-rxn:4:214033:227931,CC(C)[C@H]1COC(c2cc(-c3ccccc3OC3CC3)cc(C3=N[C@@H](C(C)C)CO3)n2)=N1,OMQKOCASRVPCIL-DHIUTWEWSA-N
-rxn:4:214037:228474,CS(=O)(=O)N1CCN(C(=O)C2CC(=O)N(c3ccc(-c4cc(Cl)ccc4[N+](=O)[O-])cc3)C2)CC1,HFJNYJUJBCODTN-UHFFFAOYSA-N
-rxn:4:214064:228567,CCC(C)c1sccc1-c1ccc(CN2CCN(S(C)(=O)=O)CC2)c(N2CCOCC2)c1,REHUGXFKTWWNAS-UHFFFAOYSA-N
-rxn:4:214071:223077,O=C(c1cccc(-c2ccc(S(=O)(=O)NC3CC3)cc2)c1)N1CCN(S(=O)(=O)N2CCCCCC2)CC1,BWNAAVGLBDHQTR-UHFFFAOYSA-N
-rxn:4:214071:224725,CCN(CC)S(=O)(=O)c1cc(-c2cccc(C(=O)N3CCN(S(=O)(=O)N4CCCCCC4)CC3)c2)ccc1C,BYGFVZRPYQNDDT-UHFFFAOYSA-N
-rxn:4:214086:223382,CC(C)N1CCN(Cc2ccc(-c3cnc(NC4CC4)nc3)cc2N2CCCCC2)CC1,GCSXROGRJWXRPE-UHFFFAOYSA-N
-rxn:4:214182:224082,CCC(C(=O)OC(C)(C)C)c1cccc(-c2ccc3c(c2)c(OC(C)C(=O)N2CCCC2)nn3C)c1,IDOHMYIHBLYFOR-UHFFFAOYSA-N
-rxn:4:214194:222907,CC(Oc1nn(C)c2ccc(-c3ccncc3NC(=O)OC(C)(C)C)cc12)C(=O)N1CCOCC1,ZMBZJFOEGFIUJA-UHFFFAOYSA-N
-rxn:4:214203:224970,CC(C)(C)[Si](C)(C)Sc1ccc(-c2ccc3c(ccn3CC(=O)N3CCN(S(C)(=O)=O)CC3)c2)cc1,RFQVRDSCBLNERL-UHFFFAOYSA-N
-rxn:4:214298:225208,Cc1nc(N2CCCC(C)C2)ncc1-c1nc(C(=O)N2CCC(c3noc4cc(F)ccc34)CC2)c(C(C)C)s1,MPOJKXYOQALVRF-UHFFFAOYSA-N
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-rxn:4:214584:223815,Cc1cc(-c2ccc(Cl)c(CN3CCC4(CC3)OCCO4)c2)cc([N+](=O)[O-])c1N=CN(C)C,RBQXEPBAAAZZEJ-UHFFFAOYSA-N
-rxn:4:214586:222585,CC(=O)N1CCC(Oc2cnc(-c3ccccc3C(=O)NCCN3CCOCC3)cn2)C1,BXLSITOMCGJSFZ-UHFFFAOYSA-N
-rxn:4:214631:222522,COc1ccc(-c2cnc(CC3CCN(S(C)(=O)=O)C3)cn2)cc1S(=O)(=O)N1CCC(O)CC1,IRKUMVGAMPMQGC-UHFFFAOYSA-N
-rxn:4:214631:224328,CC1CCCCN1S(=O)(=O)c1cccc(-c2cnc(CC3CCN(S(C)(=O)=O)C3)cn2)c1,JGNSLPABXNHAKN-UHFFFAOYSA-N
-rxn:4:214631:224391,Cc1cc(S(=O)(=O)N2CCOCC2)ccc1-c1cnc(CC2CCN(S(C)(=O)=O)C2)cn1,YOAAHUXGELVRCO-UHFFFAOYSA-N
-rxn:4:214671:224377,CN1CCN(S(=O)(=O)c2ccc(-c3cnn(C4CCN(C(=O)C5CC5)CC4)c3)cc2)CC1,IOQNYSMVXSBFLZ-UHFFFAOYSA-N
-rxn:4:214712:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1ccc(C2CCCN2S(=O)(=O)N(C)C)nc1,RCNGBMVZPPASIU-UHFFFAOYSA-N
-rxn:4:214718:225231,CCN1CCN(S(=O)(=O)c2cnc(Cl)c(-c3cnc(Cl)c(N4CCCCC4C)c3)c2)CC1,VORIVJDQVAKWFM-UHFFFAOYSA-N
-rxn:4:214736:223523,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc([N+](=O)[O-])c(N4CCC(c5nccs5)CC4)c3)c3ccccc23)CC1,JALCIZWZHTZSTC-UHFFFAOYSA-N
-rxn:4:214748:224195,CCN1CCN(Cc2cc(-c3cc(C#N)ccc3N3CCC(N(C)C)CC3)ccc2Cl)CC1,UVWQCDCGXPEQGS-UHFFFAOYSA-N
-rxn:4:214752:222899,CCCCNS(=O)(=O)c1ccc(-c2nc(C(=O)N3CCN(C(C)C)CC3)ccc2F)cc1,PMHMJAQVWWMFCV-UHFFFAOYSA-N
-rxn:4:214764:224176,CC(C)CN1CCN(c2cncc(-c3ccc(OCCSC4CCOCC4)cc3)c2)CC1,PZWVOXFGEJDNLS-UHFFFAOYSA-N
-rxn:4:214773:222717,Cc1cc(-c2cncc(S(=O)(=O)N3CCN(C(C)C)CC3)c2)c(S(=O)(=O)NC(C)(C)C)cc1F,NYCQHGLJEMBHTP-UHFFFAOYSA-N
-rxn:4:214802:225093,CCCOc1c(Cl)cc(-c2cccnc2N2CCOC(C(=O)N3CCCC3)C2)cc1OCC,RDLRSTDTQRHMJO-UHFFFAOYSA-N
-rxn:4:214804:223084,O=C(C1CN(c2ccncc2-c2cnc(N3CCC(O)CC3)nc2)CCO1)N1CCCC1,RNFMVLBZUNGOLQ-UHFFFAOYSA-N
-rxn:4:214805:225674,O=S(=O)(C1CC1)N1CCCN(c2ccc(-c3cnc(C4CCCCC4)cc3F)cn2)CC1,MSKIPMAMGSVTOP-UHFFFAOYSA-N
-rxn:4:214821:226112,Cc1cc(OCC2CC2)ccc1-c1cnc(N2CCCN(S(=O)(=O)C3CC3)CC2)c(F)c1,SYAODCXUXLXNOF-UHFFFAOYSA-N
-rxn:4:214830:226249,CCCCOc1cc(Cl)cc(-c2ccc(N3CCOC(C(=O)N4CCSCC4)C3)nc2)c1,SRKSSVJXMRDELV-UHFFFAOYSA-N
-rxn:4:214836:224570,CC(c1ccc(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCSCC3)C2)cc1)N1CCN(C)CC1,NPJSRCAAAATNQP-UHFFFAOYSA-N
-rxn:4:214836:225294,CCN1CCN(c2ncc(-c3cc(Cl)cnc3N3CCOC(C(=O)N4CCSCC4)C3)cn2)CC1,FNXPZMOJBYNJSC-UHFFFAOYSA-N
-rxn:4:214836:226471,CN(C)CCOc1ccc(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCSCC3)C2)cn1,CQYPJZVGDXJRNS-UHFFFAOYSA-N
-rxn:4:214836:226472,CN(C)CCOc1cc(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCSCC3)C2)ccn1,FQIXJFPRYOPTDG-UHFFFAOYSA-N
-rxn:4:214836:226474,CN(C)CCOc1cncc(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCSCC3)C2)c1,UQRYVMHHRYXPTD-UHFFFAOYSA-N
-rxn:4:214836:227211,CCCCSc1ccc(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCSCC3)C2)cn1,ZZQUANREXVIVOE-UHFFFAOYSA-N
-rxn:4:214836:227213,CCCCSc1cncc(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCSCC3)C2)c1,OIUNLFLDZRRFGW-UHFFFAOYSA-N
-rxn:4:214838:222622,CCC(C)c1cc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)c(F)c2)cc(C2CCCNC2)n1,APBCMTLGQCNRAJ-UHFFFAOYSA-N
-rxn:4:214839:222634,O=C(C1CN(c2ncc(-c3ccc(OCCNC4CCCC4)c(F)c3)cc2F)CCO1)N1CCSCC1,SDGPDXXISBXHOL-UHFFFAOYSA-N
-rxn:4:214839:226554,CCCOc1cc(F)c(-c2cnc(N3CCOC(C(=O)N4CCSCC4)C3)c(F)c2)cc1F,IIMJDLSDPHGROQ-UHFFFAOYSA-N
-rxn:4:214839:226990,CN(C)CCc1ccc(-c2cnc(N3CCOC(C(=O)N4CCSCC4)C3)c(F)c2)cc1,ZBPUEEHTAXELJS-UHFFFAOYSA-N
-rxn:4:214859:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(S(=O)(=O)N2CCCC(c3ccn(C)n3)C2)cc1,RUBWRZSSVJVQCG-UHFFFAOYSA-N
-rxn:4:214862:222584,O=C(c1cncc(-c2ccc(OCCCN3CCNCC3)c(F)c2)c1)N1CCCN(C2CCSC2)CC1,CMVRPJHMJSHYRM-UHFFFAOYSA-N
-rxn:4:214862:225727,CCOC(=O)c1ccc(OC)c(-c2cncc(C(=O)N3CCCN(C4CCSC4)CC3)c2)c1,OIJWTYKILNDGLA-UHFFFAOYSA-N
-rxn:4:214873:222599,O=C(Nc1cccc(Cl)c1)c1ccc(-c2cnc(N3CCCC(C(=O)N4CCOCC4)C3)c(F)c2)cc1F,YAMKGWZECLMUJN-UHFFFAOYSA-N
-rxn:4:214873:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cnc(N4CCCC(C(=O)N5CCOCC5)C4)c(F)c3)c2Cl)CC1,QUIBZFBYERPXIT-UHFFFAOYSA-N
-rxn:4:214875:227213,CCCCSc1cncc(-c2cnc(N3CCCC(C(=O)N4CCSCC4)C3)c(F)c2)c1,NEDFSRRXBONOKC-UHFFFAOYSA-N
-rxn:4:214875:227464,CCCCSc1ncc(-c2cnc(N3CCCC(C(=O)N4CCSCC4)C3)c(F)c2)cn1,YRGGJHYADGDCBP-UHFFFAOYSA-N
-rxn:4:215054:224613,CN(C(=O)OC(C)(C)C)c1cccc(-c2ncn3c2CCN(C(=O)OC(C)(C)C)C3=O)c1,WAAVQTUXZUMBLM-UHFFFAOYSA-N
-rxn:4:215059:224734,CC(C)(C)OC(=O)N1CCn2ncc(-c3ccc(C(F)(F)F)cc3OCC3CC3)c2C1,QHMNUGLXHBSBOU-UHFFFAOYSA-N
-rxn:4:215062:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2ncc3n2CCN(C(=O)OC(C)(C)C)C3)cc1,XZWCHXBBZDHJFD-UHFFFAOYSA-N
-rxn:4:215076:224376,CN1CCN(S(=O)(=O)c2cccc(-c3ccc4[nH]c(C(=O)N5CCC(C#N)CC5)cc4c3)c2)CC1,GBPXRLYVUQEONS-UHFFFAOYSA-N
-rxn:4:215076:224377,CN1CCN(S(=O)(=O)c2ccc(-c3ccc4[nH]c(C(=O)N5CCC(C#N)CC5)cc4c3)cc2)CC1,BIFQJESHLVNQPO-UHFFFAOYSA-N
-rxn:4:215110:223771,COc1ccc2c(c1)cc(-c1nc(C)n3c1CN(C(=O)OC(C)(C)C)CC3)n2C(=O)OC(C)(C)C,SIEDOVAMMJBIPY-UHFFFAOYSA-N
-rxn:4:215110:223882,Cc1cccc2c1cc(-c1nc(C)n3c1CN(C(=O)OC(C)(C)C)CC3)n2C(=O)OC(C)(C)C,ZSZYEKMGKUDJIL-UHFFFAOYSA-N
-rxn:4:215143:222628,O=S(=O)(c1ccccc1-c1cc(C2CCC2)nc(C2CCCNC2)c1)N1CCn2nc(C3CC3)cc2C1,RZYQBDFKUBSIFC-UHFFFAOYSA-N
-rxn:4:215166:222695,Cc1ccc(-c2ccccc2C(=O)N2C3CCC2CC(n2cccn2)C3)cc1S(=O)(=O)NC1CCCC1,FKSNEABCXRAFNH-UHFFFAOYSA-N
-rxn:4:215170:225561,CC(C)(C)OC(=O)c1ccccc1-c1cncc(C(=O)N2CC(N3C(=O)C4CC=CCC4C3=O)C2)c1,XTVOTFPGNDHBKW-UHFFFAOYSA-N
-rxn:4:215189:222918,CC(C)(C)NS(=O)(=O)c1cccc(-c2ccc3nc(N4CCN(C(=O)C(C)(C)C)CC4)sc3c2)c1,YNXHHYQFRBMYLL-UHFFFAOYSA-N
-rxn:4:215704:223534,CC(C)(C)OC(=O)N1CCC(Oc2cc(-c3cnc(N4CCOCC4)c(C#N)c3)c(F)cn2)CC1,UGBGLYVPPKKJLL-UHFFFAOYSA-N
-rxn:4:215801:222582,O=C(NCCN1CCOCC1)c1cccc(-c2cncc(N3CCCC(C(F)(F)F)C3)n2)c1,JDSABEQHIUWPPK-UHFFFAOYSA-N
-rxn:4:215852:222538,c1c(-c2cc(N3CCOCC3)nc(C3CC3)n2)cc(C2CCNCC2)nc1C1CCCC1,SOJSLJJLMZMYEI-UHFFFAOYSA-N
-rxn:4:215936:223845,CSc1ncc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCN(C)CC2)c(N2CC(C)OC(C)C2)n1,PKCSZOBJHABDKN-UHFFFAOYSA-N
-rxn:4:215940:223728,CCCCCC1CCC(c2ccc(-c3ccc(N4CCC(N(C)C)CC4)cn3)c(F)c2)CC1,DYDMUFMPDTVZES-UHFFFAOYSA-N
-rxn:4:215942:223847,CCCCCC1CCC(c2ccc(-c3ncccc3N3CCC(N(C)C)CC3)cc2)CC1,OMJJKQWVHLLOBU-UHFFFAOYSA-N
-rxn:4:215944:223785,CCN1CCN(CCOc2ccc(-c3cccc(N4CCC(N(C)C)CC4)n3)cc2Cl)CC1,KKKZTTZXAQAHSP-UHFFFAOYSA-N
-rxn:4:215945:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3cc(N4CCC(N(C)C)CC4)ccn3)cc2)CC1,OLEBSIHZOMWZQM-RQNOJGIXSA-N
-rxn:4:215945:223993,Cc1cc(-c2cc(N3CCC(N(C)C)CC3)ccn2)ccc1S(=O)(=O)N1CCN(C)CC1,NXEANRYMNXYXNQ-UHFFFAOYSA-N
-rxn:4:215953:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(N4CCC(N(C)C)CC4)nc3)cc2)CC1,IMXUGDFBPIUPEC-RQNOJGIXSA-N
-rxn:4:215953:223992,Cc1ccc(-c2ccc(N3CCC(N(C)C)CC3)nc2)cc1S(=O)(=O)N1CCN(C)CC1,YTWXRIGUVANEIZ-UHFFFAOYSA-N
-rxn:4:215956:223847,CCCCCC1CCC(c2ccc(-c3cncc(N4CCC(N(C)C)CC4)c3)cc2)CC1,PLQIRQRRAAFIMC-UHFFFAOYSA-N
-rxn:4:215957:223847,CCCCCC1CCC(c2ccc(-c3cccnc3N3CCC(N(C)C)CC3)cc2)CC1,OXBYDZBCMGXUKO-UHFFFAOYSA-N
-rxn:4:215958:222465,CC(C)N1CCN(c2cncc(-c3cc(C4CCCCC4)nc(C4CCCNC4)c3)c2)CC1,IWRKGCXNCPBSFU-UHFFFAOYSA-N
-rxn:4:216219:224061,CCCC1CCC(c2ccc(-c3cnc(OC4CC5CCC(C4)N5C)nc3)c(F)c2)CC1,FFLOAPLQXIHWPI-UHFFFAOYSA-N
-rxn:4:216245:223898,CC(C)N(C(=O)OC(C)(C)C)c1ccc(-c2cnc3c(c2)N(C(=O)C(C)(C)C)CCN3C)cc1,UPCLGPVUYMWBED-UHFFFAOYSA-N
-rxn:4:216319:222684,Cc1cc(C)n(C(=O)C2=C3CCCN3c3cc(-c4ccc(OCCN5CCNCC5)c(Cl)c4)ccc3S2(=O)=O)n1,JBQVCHKFUKEFMI-UHFFFAOYSA-N
-rxn:4:217857:223994,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cnn(C)c1C12CCN(C)CC1O2,SNXCAEFUUIVNCW-UHFFFAOYSA-N
-rxn:4:217884:223696,CN1CC=C(c2c[nH]c3ncc(-c4ccc(S(=O)(=O)N5CCC6(CC5)OCCO6)cc4)cc23)CC1,SMUSGULDVMSJJC-UHFFFAOYSA-N
-rxn:4:217889:224494,c1cc(-c2cnc(N3C4CCC3CC(=C3CC3)C4)nc2)ccc1CCOC1CCCCO1,MZGLNTBCSFHXQG-UHFFFAOYSA-N
-rxn:4:218499:223481,Cc1nc2c(-c3ccc(S(=O)(=O)N4CCC(O[Si](C)(C)C(C)(C)C)CC4)cc3F)ccnc2n1C,GVJKKRAWSRLFAA-UHFFFAOYSA-N
-rxn:4:218578:226584,CN(C)C(=O)c1ccc(-c2cnn(C3(CC#N)CCN(C(=O)OC(C)(C)C)CC3)c2)c(Cl)c1,UDKYKWAJNNGPAU-UHFFFAOYSA-N
-rxn:4:218589:222844,N#Cc1ccc(S(=O)(=O)N2CCCC(COc3ncc(-c4cccc(NC(=O)C5CCCC5)c4)cn3)C2)cc1,UTAUNVPDPUHZOG-UHFFFAOYSA-N
-rxn:4:218589:225408,N#Cc1ccc(S(=O)(=O)N2CCCC(COc3ncc(-c4cc5c6c(c4)CCCN6CCC5)cn3)C2)cc1,HRLFELMABZCMBP-UHFFFAOYSA-N
-rxn:4:218589:225828,N#Cc1ccc(S(=O)(=O)N2CCCC(COc3ncc(-c4cnc(N5CCCCCC5)nc4)cn3)C2)cc1,ICZWKICJNCAUCH-UHFFFAOYSA-N
-rxn:4:218606:223830,CCN1CCN(S(=O)(=O)c2cc(-c3cnc(OCC4CCCN(C(=O)c5cccnc5OC)C4)nc3)ccc2C)CC1,ICNCCFUUYFBUDG-UHFFFAOYSA-N
-rxn:4:218610:223498,COc1ccccc1Cc1noc(C2CN(C(=O)c3cncc(-c4ccc(C(=O)N5CCCN(C(=O)OC(C)(C)C)CC5)cc4)c3)C2)n1,WSRTWQGRQHDEAL-UHFFFAOYSA-N
-rxn:4:218621:227889,COCCc1ccccc1-c1cnc(OC2CCN(S(=O)(=O)CCN3C(=O)CCCC3=O)C2)nc1,GUEVJIFCFPZJEF-UHFFFAOYSA-N
-rxn:4:218652:223534,CN(CC1CCN(C(=O)OC(C)(C)C)CC1)c1cnc(-c2cc(OC3CCN(C(=O)OC(C)(C)C)CC3)ncc2F)cn1,KKFDEVJDVIPXDO-UHFFFAOYSA-N
-rxn:4:218684:225430,CCCCOc1cc(C)c(-c2cccc(-c3ccc(C#N)c(N4CCN(C(=O)OC(C)(C)C)CC4)n3)c2)c(C)c1,OYTJILPNODWGDO-UHFFFAOYSA-N
-rxn:4:218686:226103,CCCOc1c(C)cc(-c2cnccc2N2CCC(OCC#CCN3CCN(C)CC3)CC2)cc1C,MIBLFICTFMTGHX-UHFFFAOYSA-N
-rxn:4:218692:223536,Cc1ccc(-c2nc(COC(=O)c3nnn(-c4ccc(-c5cc(F)c(F)c(N6CCN(C(=O)OC(C)(C)C)CC6)c5)c(C)c4)c3C)c(C)o2)cc1,PQTPJZFOTRQDGU-UHFFFAOYSA-N
-rxn:4:218699:228653,CC(C)(C)OC(=O)N1CCCN(c2nc(-c3cccc(-c4cnn5c4CCCC5)c3)ccc2C#N)CC1,ISIQEYDMYWIUDZ-UHFFFAOYSA-N
-rxn:4:218704:225218,Cc1cc(Cl)ccc1OCC(=O)N1CCCN(c2cc(-c3ccc(-c4cnc(N5CCCC(C)C5)c(Cl)c4)cc3)n[nH]2)CC1,LSASBLOIJNUJKP-UHFFFAOYSA-N
-rxn:4:218711:226824,CC(C)(C)OC(=O)N1CCN(C2CCN(c3ccc([N+](=O)[O-])cc3-c3ccc(-c4nccs4)nc3F)CC2)CC1,VOAZZZWWODZBBZ-UHFFFAOYSA-N
-rxn:4:218778:223930,Cc1cc2c(cnn2C(=O)OC(C)(C)C)cc1-c1cc(Cl)cc2c1nc(N1CC3(CN(C(=O)OC(C)(C)C)C3)C1)n2Cc1cc(C)c(F)c(C)c1,ATEGUPXPONGBAI-UHFFFAOYSA-N
-rxn:4:218778:229117,Cc1cc(Cn2c(N3CC4(CN(C(=O)OC(C)(C)C)C4)C3)nc3c(-c4ccnc(Cl)c4C)cc(Cl)cc32)cc(C)c1F,QGTRBTDIZBGJOT-UHFFFAOYSA-N
-rxn:4:218824:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3cnc(N4CC(CN(C)S(=O)(=O)C5CC5)C4)nc3)cc2)CC1,VHVKMNYYDHAUNA-AFARHQOCSA-N
-rxn:4:218867:226654,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3csc(N4CCC(C)CC4)n3)c2)no1,YLGKUIMEDWNUTA-UHFFFAOYSA-N
-rxn:4:218868:225982,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3cnc(N4CCOCC4)cc3F)cc2)no1,ZTBXVAOYSDPMRB-UHFFFAOYSA-N
-rxn:4:218868:226612,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3cnc(N4CCCCC4)nc3)cc2)no1,QHOPMAURYYUAQH-UHFFFAOYSA-N
-rxn:4:218885:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnc(OCC4CCN(C(=O)c5scnc5C)CC4)nc3)c(F)c2)CC1,MTGRXLSGNFKKKV-ALOJWSFFSA-N
-rxn:4:218885:224759,Cc1ncsc1C(=O)N1CCC(COc2ncc(-c3cc(F)cc(C(=O)N4CCOCC4)c3)cn2)CC1,FYVAMTLTZLOJJO-UHFFFAOYSA-N
-rxn:4:218888:223812,Cc1oncc1C(=O)N1CCCC(COc2ncc(-c3cc(F)cc(CN4CCC5(CC4)OCCO5)c3)cn2)C1,NAMRPKQDGMXYGZ-UHFFFAOYSA-N
-rxn:4:218894:222634,N#Cc1cc(-c2ccc(OCCNC3CCCC3)c(F)c2)cnc1N1CCC(COc2ccncc2Cl)CC1,JZQNODGXQOXQHS-UHFFFAOYSA-N
-rxn:4:218944:222632,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3cccc(C(=O)NCCN4CCCC4)c3)cc2[N+](=O)[O-])CC1,MCGXUQAKKXDNSN-UHFFFAOYSA-N
-rxn:4:218951:224174,CCN(C(=O)OC(C)(C)C)c1ccc(-c2cnc(N3CCC(Oc4ncc(OC)cn4)CC3)c(C(F)(F)F)c2)cc1,BIBXDZOCSYPYIH-UHFFFAOYSA-N
-rxn:4:218970:223811,Cc1noc(C)c1C(=O)N1CCCC(COc2ncc(-c3ccc(CN4CCC5(CC4)OCCO5)c(Cl)c3)cn2)C1,OGDCPVXBPMIYHR-UHFFFAOYSA-N
-rxn:4:218992:224580,Cc1nccn1-c1ccc(C2CC2)c(-c2cnn(CC3CN(C(=O)C4CCN(S(C)(=O)=O)CC4)C3)c2)c1,BGCDOYNHEQMBLC-UHFFFAOYSA-N
-rxn:4:218994:223602,Cc1nc(C)c(CN2CCCC(COc3ncc(-c4ccnc(N5CCN(C(=O)OC(C)(C)C)CC5)c4Cl)cn3)C2)s1,OBBHJKOJUVXXEQ-UHFFFAOYSA-N
-rxn:4:218995:224337,Cc1cc(C)n(CCN2CCN(C(=O)c3ccc(-c4cnc(C(F)(F)F)c(C5CCCCC5)c4)o3)CC2)n1,SAGBZAMGJVFZAA-UHFFFAOYSA-N
-rxn:4:219011:223818,CN(c1cnc(-c2c(F)cc(F)c3c2ccn3C(=O)OC(C)(C)C)cn1)C1CCN(C(=O)OC(C)(C)C)CC1,CUIYNPIDKIWMFN-UHFFFAOYSA-N
-rxn:4:219013:228810,CSc1c(Cl)cccc1-c1cncc([N+](=O)[O-])c1N1CCN(C(=O)OC(C)(C)C)C(C)C1,YWMSBLZSIPLHTH-UHFFFAOYSA-N
-rxn:4:219051:224610,CCCCc1nc(-c2ccc(-c3cnc(N(C)C4CCCN(C(=O)OC(C)(C)C)CC4)cn3)cc2)no1,OZFAJKJBBCICMX-UHFFFAOYSA-N
-rxn:4:219072:227116,Cc1c(Cl)cc(C2CC2)cc1-c1cccc(-c2nnc(CC(=O)N3CCN(C4CCCCC4)CC3)o2)c1,WEPIZNJZAZCNQT-UHFFFAOYSA-N
-rxn:4:219072:228200,O=C(Cc1nnc(-c2cccc(-c3ccnn3C3CCCC3)c2)o1)N1CCN(C2CCCCC2)CC1,SQYDAKHEECZKJH-UHFFFAOYSA-N
-rxn:4:219088:223812,CCCCn1c(=O)c2c(nc(-c3cc(F)cc(CN4CCC5(CC4)OCCO5)c3)n2CC(C)=O)n(C)c1=O,RVASZLVUFJPABT-UHFFFAOYSA-N
-rxn:4:219120:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cncc(C(=O)N4CC5CCCC5(COc5ncc(F)cn5)C4)c3)c(F)c2)CC1,RVQJRCWWKCKMHQ-LLFUPMQSSA-N
-rxn:4:219155:222524,Cc1cnc(OCC23CCCC2CN(C(=O)c2cncc(-c4cc(F)c(F)cc4S(=O)(=O)N4CCC(O)CC4)c2)C3)nc1,IXMSGRFDEXFZJR-UHFFFAOYSA-N
-rxn:4:219334:224713,CCCCOc1ccc(-c2nnc(N3CCN(C(=O)OC(C)(C)C)CC3)s2)c(C(F)(F)F)c1,FASOUEFGMVYHPW-UHFFFAOYSA-N
-rxn:4:219360:222584,Cc1nnsc1C(=O)N1CCC(Oc2ncccc2-c2ccc(OCCCN3CCNCC3)c(F)c2)CC1,LTTGMRCESFTZGJ-UHFFFAOYSA-N
-rxn:4:219403:225759,CCN(C)C(=O)c1ccc(-c2cnn(CC3CN(C4CCN(C5CC5)C4=O)C3)c2)cc1F,GXPJELLBZLDAFK-UHFFFAOYSA-N
-rxn:4:219407:224759,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3cc(F)cc(C(=O)N4CCOCC4)c3)cn2)CC1,DJALEPZFFGLRFG-UHFFFAOYSA-N
-rxn:4:219439:224018,O=S(=O)(c1cc(F)c(F)cc1-c1cccc(CN2CCN(c3nccc(C(F)(F)F)n3)CC2)c1)N1CCOCC1,DDUQOGFOQGIAES-UHFFFAOYSA-N
-rxn:4:219454:224617,Cc1c(-c2ccc(OCCN3CCCC3)c(Cl)c2)nnn1C1CCN(C(=O)OC(C)(C)C)CC1,RFTYTQXMHJCAAP-UHFFFAOYSA-N
-rxn:4:219531:224193,CCN1CCN(Cc2cc(-c3cnc(SC)nc3N3CCOC(C(=O)N4CCCCC4)C3)ccc2F)CC1,MZKNSSCVEOWADC-UHFFFAOYSA-N
-rxn:4:219536:222798,Cc1cc(S(=O)(=O)NC(C)(C)C)ccc1-c1ccc(C(=O)N2CCCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)o1,AKNOANHPXZHLGF-UHFFFAOYSA-N
-rxn:4:219536:226843,Cc1nc(S(=O)(=O)N2CCCN(C(=O)c3ccc(-c4ccc(C(=O)C(F)(F)F)nc4)o3)CC2)cn1C,GQAVADOWYYSEEY-UHFFFAOYSA-N
-rxn:4:219642:223958,CCN1CCN(C(=O)c2ccc(-c3cnccc3OC3CCN(c4nc5c(cc4C#N)CCC5)C3)cc2F)CC1,IUSGIJROMLTPMV-UHFFFAOYSA-N
-rxn:4:219643:226005,COc1ccc(N2C(=O)C3N=NN(Cc4cccc(-c5ccc(OCC(F)(F)F)c(F)c5)c4)C3C2=O)cc1,COLOMBPGVDDYFV-UHFFFAOYSA-N
-rxn:4:219687:225210,Cc1nc(N2CCC(C)CC2)ncc1-c1ccc2nnn(C3CCN(C(=O)OC(C)(C)C)CC3)c2c1,NYZUNUQPANEDGB-UHFFFAOYSA-N
-rxn:4:219688:223098,CC(=O)NS(=O)(=O)c1ccc(-c2ccc3nc(C4CCN(C(=O)OC(C)(C)C)CC4)nn3c2)cc1,GOKWIRVGHLJHFI-UHFFFAOYSA-N
-rxn:4:219688:225982,CC(C)(C)OC(=O)N1CCC(c2nc3ccc(-c4cnc(N5CCOCC5)cc4F)cn3n2)CC1,BUYRKAHJMLSNRK-UHFFFAOYSA-N
-rxn:4:219689:225979,CC(C)(C)OC(=O)N1CCN(c2ccc3ncc(-c4cnc(N5CCOCC5)c(Cl)c4)n3c2)CC1,QHMAFFBLMOAJBW-UHFFFAOYSA-N
-rxn:4:219692:223791,COc1ccc(N(C)C(=O)c2ccc(-c3cn(C4CCN(C(=O)OC(C)(C)C)CC4)c4nc(Cl)ncc34)cn2)cc1,NJUAGUWCAVMJQG-UHFFFAOYSA-N
-rxn:4:219704:225980,CC(C)(C)OC(=O)N1CCN(c2cnc3ccc(-c4cc(N5CCOCC5)ncc4F)cc3n2)CC1,LPEXNVWWGKAMNI-UHFFFAOYSA-N
-rxn:4:219750:222633,COc1ccc(-c2ccc(C(=O)NCCN3CCCC3)cc2)c(C(=O)N2CCCc3cnc(N4CCOCC4)nc32)c1,WOEGVQCFQKIWCS-UHFFFAOYSA-N
-rxn:4:219780:225713,CCOC(=O)COc1cccc(-c2cc3c(cc2C(F)F)N(c2nn(C4CCOCC4)c4c2CN(C(C)=O)CC4)CCC3)c1,GHYBHAUXIZSDNA-UHFFFAOYSA-N
-rxn:4:219850:223594,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)cc(-c3ccc(C(=O)N4CCN(c5cnsn5)CC4)o3)c2)CC1,ZOGOCPMBGRZSOK-UHFFFAOYSA-N
-rxn:4:219867:224780,CCN1CCN(c2ncc(-c3ccc(C4CCOC4)c(C(F)(F)F)c3)cc2[N+](=O)[O-])CC1,BQPQRQLWVXXIAF-UHFFFAOYSA-N
-rxn:4:219868:223602,CCN1CCN(c2c(-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3Cl)cncc2[N+](=O)[O-])CC1,KSWJQWGPIIEROV-UHFFFAOYSA-N
-rxn:4:219868:224621,CCN1CCN(c2c(-c3ccc(OCCN4CCSCC4)cc3)cncc2[N+](=O)[O-])CC1,CDUILURPJZYTNL-UHFFFAOYSA-N
-rxn:4:219903:225112,CCOc1cc(-c2cnc(N3CCN(C(C)C)CC3)c([N+](=O)[O-])c2)cc(Cl)c1OC(C)C,FSKTZDNZNORWLO-UHFFFAOYSA-N
-rxn:4:219904:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3cnc(C4CCN(S(=O)(=O)N(C)C)CC4)cn3)cc2)CC1,CWCZNLNFGHEMQX-HZCBDIJESA-N
-rxn:4:219904:224423,CCC[C@H]1CC[C@H](c2ccc(-c3cnc(C4CCN(S(=O)(=O)N(C)C)CC4)cn3)cc2)CC1,VQDABCUPFHIKPJ-MEMLXQNLSA-N
-rxn:4:219904:224973,CN1CCN(Cc2cccc(-c3cnc(C4CCN(S(=O)(=O)N(C)C)CC4)cn3)c2)CC1,KFBVQGJFWOCJAY-UHFFFAOYSA-N
-rxn:4:219909:223650,Cn1cnc(N2CCC(Oc3ccncc3-c3ccccc3N3CCN(C(=O)OC(C)(C)C)CC3)C2)cc1=O,LPMGLVKUKBKOHK-UHFFFAOYSA-N
-rxn:4:219941:224101,COc1cc(N2CCN(c3ncc(Cl)cc3-c3cccc(OCCN4CCC(C)CC4)c3)CC2=O)ccn1,BIMSLROUWYMBAF-UHFFFAOYSA-N
-rxn:4:219959:223071,CCS(=O)(=O)NCc1ccc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)nc2)cc1,SZBZYQOKJGVKDH-UHFFFAOYSA-N
-rxn:4:219981:224196,CCN1CCN(Cc2cc(F)cc(-c3cnc(N4CCCC(C(=O)N5CCSCC5)C4)nc3)c2)CC1,NXWLLYHLWXEDAK-UHFFFAOYSA-N
-rxn:4:219988:224370,CC(C)OC(=O)c1ccc(C(F)(F)F)cc1-c1cnc(N2CCCC(C(=O)N3CCOCC3)C2)nc1,QEROKTZXTSOQRQ-UHFFFAOYSA-N
-rxn:4:220041:222825,CC(C)(C)NS(=O)(=O)c1ccc(Cl)cc1-c1nnn2c1CN(C(=O)OC(C)(C)C)CC2,FIBZJMRCMZJCFL-UHFFFAOYSA-N
-rxn:4:220191:225052,CC1CCCCN1c1cc(F)cc(-c2ccc3nc(N4CCOC(C(=O)N5CCCC5)C4)ncc3c2)c1,QXCNVXJHALZEIK-UHFFFAOYSA-N
-rxn:4:220194:223690,CCc1ccc(N2C(=O)C3N=NN(c4ccc(-c5cc(C(=O)OC)n(S(=O)(=O)c6ccc(C)cc6)c5)c(C)c4)C3C2=O)cc1,WDGSUEJSYRHCNV-UHFFFAOYSA-N
-rxn:4:220205:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2ccc3nc(N4CCOC(C(=O)N5CCOCC5)C4)ncc3c2)CC1,YCSDTKFGDUOVKH-UHFFFAOYSA-N
-rxn:4:220269:223482,N#CCSc1nc2ccc(-c3ccc(OC(F)(F)F)c(S(=O)(=O)N4CCC5(CC4)OCCO5)c3)cc2c2nc3ccccc3n12,LOVDNCWBDPDUHR-UHFFFAOYSA-N
-rxn:4:220405:223649,CC(C)(C)OC(=O)N1CCN(c2cccc(-c3cnc(N4CCC(N5CCOC5=O)C4)nc3)c2)CC1,WAMZYVGFAXONKF-UHFFFAOYSA-N
-rxn:4:220407:223960,CCN1CCN(C(=O)c2cc(-c3cn(C)nc3CN3CCN(C)CC3)ccc2F)CC1,RGGBOPNBVXECLG-UHFFFAOYSA-N
-rxn:4:220412:223712,COc1ccc(-c2cnc(N3CCN(C(C)C)CC3)nc2)cc1C12CC3CC(CC(C3)C1)C2,YRJLHSSGSPBYGQ-UHFFFAOYSA-N
-rxn:4:220413:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnc(N4CCC(N(C)C)CC4)nc3)c(F)c2)CC1,DNCDHEHDNCILHJ-HZCBDIJESA-N
-rxn:4:220429:225607,CC(c1ccc(-c2cnc(N3CCCN(C4CCOC4)CC3)nc2)s1)N1CCCCC1,MCCNGIJTPLTSPS-UHFFFAOYSA-N
-rxn:4:220465:223823,CC(=O)Cn1c(-c2cnn(C3CCN(C(=O)OC(C)(C)C)CC3)c2)nc2c1c(=O)n(C)c(=O)n2C,JHZYENQXLVWMKE-UHFFFAOYSA-N
-rxn:4:220545:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cnc(N4CCC(N5CCc6sccc6C5)CC4)nc3)c2Cl)CC1,UFIXHXBYAXDKNT-UHFFFAOYSA-N
-rxn:4:220935:223660,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cnc4ccc(N5CCOCC5)nn34)s2)CC1,PFNFXMAEAFCAJL-UHFFFAOYSA-N
-rxn:4:220936:223594,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)cc(-c3cn4ccnc4c(N4CCOCC4)n3)c2)CC1,XMJKSZIDNIQAIR-UHFFFAOYSA-N
-rxn:4:220937:223594,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)cc(-c3ccc4nc(N5CCOCC5)nn4c3)c2)CC1,CFCKVWIRLDCOJW-UHFFFAOYSA-N
-rxn:4:221129:222777,CCOC(=O)C1CCN(c2nc3c(S(=O)(=O)c4ccc(-c5ccc(CN6CCC(O)CC6)c(Cl)c5)cc4)nnn3c3ccccc23)CC1,CWUQRJKVKNYEES-UHFFFAOYSA-N
-rxn:4:221145:224597,CN(C1CN(c2nccnc2C#N)C1)S(=O)(=O)c1ccccc1-c1cc(C2CC2)cc(N2CCOCC2)c1,FKIBRFYHLRVMJS-UHFFFAOYSA-N
-rxn:4:221153:223812,N#Cc1ccnc(OCC2CCCN(c3ncc(-c4cc(F)cc(CN5CCC6(CC5)OCCO6)c4)cn3)C2)c1,DKAYLGYEBZZERR-UHFFFAOYSA-N
-rxn:4:221167:223540,COc1cc(N2CCCC(COc3ncc(-c4cc(S(=O)(=O)N5CCC6(CC5)OCCO6)ccc4OC)cn3)C2)ncn1,XNWZOIISUCUVHD-UHFFFAOYSA-N
-rxn:4:221169:222920,Cc1cc(S(=O)(=O)NC2CC2)ccc1-c1cnc(OCC2CCCN(S(=O)(=O)c3cnn(C)c3)C2)nc1,RQYDBWDHBLNXAQ-UHFFFAOYSA-N
-rxn:4:221169:225053,CC1CCCCN1c1ccc(-c2cnc(OCC3CCCN(S(=O)(=O)c4cnn(C)c4)C3)nc2)c(F)c1,NHLBKQQYKPMTSU-UHFFFAOYSA-N
-rxn:4:221175:224096,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4ccccc4OCc4ccc(C#N)cc4)cn3)C2)C(=O)C1=O,HCABHJYOARHPLG-UHFFFAOYSA-N
-rxn:4:221175:224231,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4cc(F)cc(Cl)c4OCc4ccccc4)cn3)C2)C(=O)C1=O,RIOKHCFBPZNQGK-UHFFFAOYSA-N
-rxn:4:221180:222546,Cc1cc(C(=O)N2CCC(COc3ncc(-c4ccc(OCCNC5CCCCC5)c(F)c4)cn3)CC2)nn1C,NDPWYXCZRDUNOK-UHFFFAOYSA-N
-rxn:4:221180:224325,Cc1cc(C(=O)N2CCC(COc3ncc(-c4ccc(C5=CCN(S(C)(=O)=O)CC5)cc4)cn3)CC2)nn1C,JLSZLVNLNFSTMK-UHFFFAOYSA-N
-rxn:4:221186:224199,CC(=O)N1CCN(Cc2ccc(-c3cnc(N4CCC(CN(C)c5cc(C(F)(F)F)ccn5)CC4)nc3)cc2)CC1,RSROMMHKEVGXFZ-UHFFFAOYSA-N
-rxn:4:221186:224793,CC(C)COc1ncc(C(F)(F)F)cc1-c1cnc(N2CCC(CN(C)c3cc(C(F)(F)F)ccn3)CC2)nc1,BRNKOYURJNUDHI-UHFFFAOYSA-N
-rxn:4:221191:224759,Cc1cc(N2CCCC(COc3ncc(-c4cc(F)cc(C(=O)N5CCOCC5)c4)cn3)C2)nc(C2CC2)n1,NQIANMQJUWSXHK-UHFFFAOYSA-N
-rxn:4:221193:222546,CN1CCN(C(=O)N2CCCC(COc3ncc(-c4ccc(OCCNC5CCCCC5)c(F)c4)cn3)C2)CC1,FOAKHQKMJHKGTP-UHFFFAOYSA-N
-rxn:4:221200:222679,COc1ccc(-c2cc(N3CCN(C(=O)c4cncc(-c5cc(NC(=O)OC(C)(C)C)ccc5OC)c4)CC3)ncn2)cc1,NEFSDJHFCOBMGV-UHFFFAOYSA-N
-rxn:4:221201:223831,COc1ccc(-c2ccc(-c3n[nH]cc3CN3CCN(c4ccc(C(F)(F)F)cn4)[C@H](C)C3)cc2)cc1S(=O)(=O)N1CCC(C)CC1,DRQLPSFPBISDEC-XMMPIXPASA-N
-rxn:4:221209:222452,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4cc(F)c(F)c(NC(=O)OCc5ccccc5)c4)cc3)CC2)n1,RHKMJJYYKUPYBY-UHFFFAOYSA-N
-rxn:4:221217:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(-c4ccc5nnc(SCC(=O)N6CCCC6)n5n4)cc3)c(F)c2)CC1,TYWAECZQSGGWCX-SOAUALDESA-N
-rxn:4:221232:222634,N#Cc1cc2c(nc1N1CCCC(COc3ncc(-c4ccc(OCCNC5CCCC5)c(F)c4)cn3)C1)CCOC2,MGJYXKBSOJLPAV-UHFFFAOYSA-N
-rxn:4:221245:223812,Cc1nc2ccc(OCC3CCN(C(=O)c4cncc(-c5cc(F)cc(CN6CCC7(CC6)OCCO7)c5)c4)CC3)nn2c1C,GNXLYBVASOYTKU-UHFFFAOYSA-N
-rxn:4:221248:222585,COc1ccc(N2CCN(Cc3cn4c(-c5ccc(-c6ccccc6C(=O)NCCN6CCOCC6)cc5)nnc4s3)CC2)cc1,QRLJCSVZVDYREQ-UHFFFAOYSA-N
-rxn:4:221249:225601,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc4c(-c5ccc(C6(C#N)CCC6)cc5F)cnn4c3)cc2)CC1,GSVCIKNBZPJPIV-UHFFFAOYSA-N
-rxn:4:221249:225602,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc4c(-c5cc(C6(C#N)CCC6)ccc5F)cnn4c3)cc2)CC1,YZIIYXAHHZPARH-UHFFFAOYSA-N
-rxn:4:221249:225603,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc4c(-c5cccc(C6(C#N)CCC6)c5F)cnn4c3)cc2)CC1,NMCUZBCDTUMGJZ-UHFFFAOYSA-N
-rxn:4:221249:225898,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc4c(-c5cnn(CCN6CCOCC6)c5)cnn4c3)cc2)CC1,PMJAQUHUWYZGHJ-UHFFFAOYSA-N
-rxn:4:221395:223893,CCN1CCN(CCOc2cccc(-c3cnc(N4CCC(Cn5cnc(C6CC6)cc5=O)CC4)nc3)c2)CC1,JDSGNJGBIMBDAY-UHFFFAOYSA-N
-rxn:4:221433:224397,Cc1cc(N2CCCC2)nc(N2CCN(C(=O)c3ccc(-c4ccc(S(=O)(=O)N5CCC(=O)CC5)cc4)cc3)CC2)n1,NRVYSSWYGWODOP-UHFFFAOYSA-N
-rxn:4:221451:223058,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccccc3-c3cc(F)nc(C4CCCNC4)c3)CC2)n1,SDSPMMXKZMSSEQ-UHFFFAOYSA-N
-rxn:4:221526:223507,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccccc2-c2ccccc2-c2nnc3sc(-c4cccc(S(=O)(=O)N5CCCCC5)c4)nn23)CC1,VSWSQVNCWCAOAZ-UHFFFAOYSA-N
-rxn:4:221614:223969,COCn1nc(-c2cc(C(F)(F)F)ccc2N2CCC(C)CC2)nc1N1CCCN(C)CC1,IUKLJLQDJJYUOL-UHFFFAOYSA-N
-rxn:4:221621:224129,CN(C(=O)c1cccc(-c2cc(C(F)(F)F)cnc2N2CCN(c3ccncn3)CC2)c1)C1CCCCC1,XNKFJDLULPBCPE-UHFFFAOYSA-N
-rxn:4:221629:223527,Cc1nc(-c2cnc(-c3ccc(-c4ccc(F)cc4CN4CCN(C(=O)OC(C)(C)C)CC4)cc3F)[nH]2)n(C(C)C)n1,FBDDUEAIJUXFHU-UHFFFAOYSA-N
-rxn:4:221665:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cnn(CC4CN(c5ncnc6ccc(F)cc56)C4)c3)c2Cl)CC1,RNMVJFNPLDBRTO-UHFFFAOYSA-N
-rxn:4:221721:222602,CC(C)Cc1cc(-c2cnc(N3CCC(Cn4cnc5ccccc5c4=O)CC3)nc2)c(S(=O)(=O)NC(C)(C)C)s1,VESNEMIUWULUJB-UHFFFAOYSA-N
-rxn:4:221726:223051,CN(C1=NS(=O)(=O)c2ccccc21)C1CCN(c2ncc(-c3cc(C(=O)NC4CC4)ccc3Cl)cn2)CC1,BBPWPKHYTIBVRZ-UHFFFAOYSA-N
-rxn:4:221736:224654,Cc1nc2c(c(N3CC4CN(C(=O)c5cncc(-c6ccc(F)c(O[Si](C)(C)C(C)(C)C)c6)c5)CC4C3)n1)CCC2,UAJSAAHZQPVDMY-UHFFFAOYSA-N
-rxn:4:221742:223945,CCCn1c(=O)c2c(nc3n2CCCN3c2ccc(-c3ccc(OCCCN4CCOCC4)c(F)c3)cc2)n(C)c1=O,KDVYDAMNFACQSC-UHFFFAOYSA-N
-rxn:4:221784:223683,Cc1ccc(C)c(Cn2c(=O)c3c(nc4n3CCCN4c3ccc(-c4cnc(OC5CCN(C(=O)OC(C)(C)C)C5)nc4)cc3)n(C)c2=O)c1,XRBXYBQLDXDSNF-UHFFFAOYSA-N
-rxn:4:221790:224414,Cc1ccccc1Cn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3ccc(C(F)(F)C(F)(F)C(F)(F)F)nc3)cc2)n(C)c1=O,PXLOWHNYAYKBHP-UHFFFAOYSA-N
-rxn:4:221832:224376,CN1CCN(S(=O)(=O)c2cccc(-c3cnc(N4CCN(C5=NS(=O)(=O)c6ccccc65)CC4)nc3)c2)CC1,AFHAWMXZSQBHAU-UHFFFAOYSA-N
-rxn:4:221834:223536,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cnc(N4CCC(c5ccc6cccnc6n5)CC4)nc3)cc(F)c2F)CC1,HJTFOICUWZYMFU-UHFFFAOYSA-N
-rxn:4:221836:222430,O=S1(=O)N=C(N2CCCN(c3ncc(-c4ccc(S(=O)(=O)Nc5ccc(OC(F)(F)F)cc5)cc4)cn3)CC2)c2ccccc21,GRMDTXJBFSDCEI-UHFFFAOYSA-N
-rxn:4:221937:222634,Cn1cc(C(=O)N2CCC(COc3ncc(-c4ccc(OCCNC5CCCC5)c(F)c4)cn3)CC2)nn1,TUUFYVLHMZKPPY-UHFFFAOYSA-N
-rxn:4:221938:223812,Cn1cc(C(=O)N2CCCC(COc3ncc(-c4cc(F)cc(CN5CCC6(CC5)OCCO6)c4)cn3)C2)nn1,IFRPPMUCEFVEMT-UHFFFAOYSA-N
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-rxn:4:221976:222622,CCC(C)c1cc(-c2cccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(OC)cc6)C(=O)C54)n3)c2)cc(C2CCCNC2)n1,YOFFBSHNFXWMLH-UHFFFAOYSA-N
-rxn:4:222019:223562,CC(C)(C)OC(=O)N1CCC(Cc2ccc(-c3ccc(-n4cnnn4)cc3C(=O)N3CCN(c4ccc(Cl)cc4)CC3)cc2)CC1,QOOLURKXAWVWNU-UHFFFAOYSA-N
-rxn:4:222031:222846,CN(C)c1nccc(N2CCN(c3ncc(C(F)(F)F)cc3-c3cc(C4CCCNC4)ccc3C#N)CC2)n1,MQDLSAPZVFJULB-UHFFFAOYSA-N
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-rxn:4:222820:174514,CC(C)[Si](Oc1cccc(-c2ccc(S(=O)(=O)NC(C)(C)C)c(F)c2)c1)(C(C)C)C(C)C,YOTSGZQBSZXASC-UHFFFAOYSA-N
-rxn:4:222822:203937,Cc1cc(F)c(-c2ccccc2S(=O)(=O)N2CC(N3CCCC3)C2)cc1S(=O)(=O)NC1CC1,BRQBQSMFSQFSTJ-UHFFFAOYSA-N
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-rxn:5:176566:223063:225943,COC(=O)Cc1cc(-c2ccc(C(=O)N3CCOCC3)s2)ccc1-c1cc(F)nc(C2CCNCC2)c1,SJKHMEGCQYVXGE-UHFFFAOYSA-N
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-rxn:5:177190:225440:225498,CCS(=O)(=O)Cc1ccc(-c2cc(C3CCCCC3)ccc2F)c(-c2ccc(C3(C#N)CCCC3)cc2)c1,GIJAWTGIXQULDH-UHFFFAOYSA-N
-rxn:5:177190:226571:225926,CCS(=O)(=O)Cc1ccc(-c2ccc(S(=O)(=O)N3CCC3)cc2)c(-c2cnn(CC3CCOCC3)c2)c1,FLSGBOOANWMGRS-UHFFFAOYSA-N
-rxn:5:177449:222959:223010,COc1cc(-c2ccc(C3CCNCC3)c(C)c2)c(-c2ccc(C3(O)CCOCC3)cc2)cc1OC(C)C,UTWYQELRNQXQCM-UHFFFAOYSA-N
-rxn:5:177449:223010:222959,COc1cc(-c2ccc(C3(O)CCOCC3)cc2)c(-c2ccc(C3CCNCC3)c(C)c2)cc1OC(C)C,UXGVYVZDUWZHMD-UHFFFAOYSA-N
-rxn:5:177729:222994:223062,CC(C)(C)OC(=O)c1ccc(-c2cccc(N3CCC(O)CC3)c2)cc1-c1cnc(C2CCNCC2)cc1F,UCGBOWCLKCMWRO-UHFFFAOYSA-N
-rxn:5:177730:223056:225849,CC(C)(C)OC(=O)c1cc(-c2ccc(N3CCC(O)CC3)nc2)ccc1-c1cnc(N2CCCCC2)cc1F,MDFKKWPRNHZKSZ-UHFFFAOYSA-N
-rxn:5:177730:223056:226366,CC(C)(C)OC(=O)c1cc(-c2ccc(N3CCC(O)CC3)nc2)ccc1-c1ccnc(N2CCCCC2)c1,LJQCNHVGTZBHLI-UHFFFAOYSA-N
-rxn:5:177730:225849:226663,CC(C)(C)OC(=O)c1cc(-c2cnc(N3CCCCC3)cc2F)ccc1-c1ccc(N2CCSCC2)nc1,MSONONHGRINMMG-UHFFFAOYSA-N
-rxn:5:177731:223054:227387,CC(c1ccc(-c2cc(-c3ccnc(N4CCCC4)c3)ccc2C(=O)OC(C)(C)C)s1)N1CCC(O)C1,KAMXLVRHRYEGSR-UHFFFAOYSA-N
-rxn:5:177731:226158:223056,CC(C)(C)OC(=O)c1ccc(-c2ccc(N3CCC(O)CC3)nc2)cc1-c1ccccc1N1CCCCC1,NYYDRSAMSMHDQS-UHFFFAOYSA-N
-rxn:5:177732:223056:223143,CC(C)(C)OC(=O)c1ccc(-c2ccc(N3CCC(O)CC3)nc2)c(-c2cccc(N3CCC(O)C3)c2)c1,MMTSDTKJKGVAOF-UHFFFAOYSA-N
-rxn:5:177733:223056:223131,CC(C)(C)OC(=O)c1cc(-c2ccc(N3CCNCC3)cc2)cc(-c2ccc(N3CCC(O)CC3)nc2)c1,ZVZDUBFLKQDDEM-UHFFFAOYSA-N
-rxn:5:177733:225438:223062,CC(c1ccc(-c2cc(C(=O)OC(C)(C)C)cc(-c3cnc(C4CCNCC4)cc3F)c2)cc1)N1CCCC1,HZFUNORQBXTPSL-UHFFFAOYSA-N
-rxn:5:177733:225438:223140,CC(c1ccc(-c2cc(C(=O)OC(C)(C)C)cc(-c3ccnc(C4CCCNC4)c3)c2)cc1)N1CCCC1,NKNLSPQTPZOMOV-UHFFFAOYSA-N
-rxn:5:177734:226662:226794,Cc1cc(-c2ccc(N3CCN(C)CC3)s2)c(-c2cnc(N3CCSCC3)nc2)cc1C(=O)OC(C)C,GDENBHWVNNVQHU-UHFFFAOYSA-N
-rxn:5:177734:226794:226662,Cc1cc(-c2cnc(N3CCSCC3)nc2)c(-c2ccc(N3CCN(C)CC3)s2)cc1C(=O)OC(C)C,LWWBJLVRBPCNLL-UHFFFAOYSA-N
-rxn:5:177736:223056:223131,CC(C)(C)OC(=O)c1ccc(-c2ccc(N3CCNCC3)cc2)c(-c2ccc(N3CCC(O)CC3)nc2)c1,QJAJXDUWAAWXKR-UHFFFAOYSA-N
-rxn:5:177736:223056:223143,CC(C)(C)OC(=O)c1ccc(-c2cccc(N3CCC(O)C3)c2)c(-c2ccc(N3CCC(O)CC3)nc2)c1,JVXTXGYWONOHAI-UHFFFAOYSA-N
-rxn:5:177736:223056:223144,CC(C)(C)OC(=O)c1ccc(-c2ccc(N3CCC(O)C3)cc2)c(-c2ccc(N3CCC(O)CC3)nc2)c1,ZVSVJDZSVUMUGO-UHFFFAOYSA-N
-rxn:5:177736:223056:225834,CC(C)(C)OC(=O)c1ccc(-c2cc(N3CCCCC3)ncc2F)c(-c2ccc(N3CCC(O)CC3)nc2)c1,VHXLAVJCTICTFM-UHFFFAOYSA-N
-rxn:5:177736:223062:223143,CC(C)(C)OC(=O)c1ccc(-c2cccc(N3CCC(O)C3)c2)c(-c2cnc(C3CCNCC3)cc2F)c1,UMUQJAOAXHEUSG-UHFFFAOYSA-N
-rxn:5:177736:225407:226150,CC(C)(C)OC(=O)c1ccc(-c2cccc(SC3CCCC3)c2)c(-c2ccc(C3CCCCCC3)cc2)c1,WSFGCHWQTDRLCU-UHFFFAOYSA-N
-rxn:5:177736:225451:223189,CC(C)(C)OC(=O)c1ccc(-c2ccc(NS(C)(=O)=O)cc2F)c(-c2ccc(SC3CCCCC3)cc2)c1,NOABVOGHUMYRNP-UHFFFAOYSA-N
-rxn:5:177736:226649:225439,CC(c1cccc(-c2ccc(C(=O)OC(C)(C)C)cc2-c2cccnc2N2CCOCC2)c1)N1CCCC1,RTKDFZQWUQOQOV-UHFFFAOYSA-N
-rxn:5:177737:225637:226794,CN1CCN(c2ccccc2-c2ccc(-c3cnc(N4CCSCC4)nc3)cc2C(=O)OC(C)(C)C)CC1,QKJQTPMPCXAIMD-UHFFFAOYSA-N
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-rxn:5:177739:222994:223062,CC(C)(C)OC(=O)c1cccc(-c2cccc(N3CCC(O)CC3)c2)c1-c1cnc(C2CCNCC2)cc1F,JCSPUQBGVWNGTM-UHFFFAOYSA-N
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-rxn:5:177739:223056:223144,CC(C)(C)OC(=O)c1cccc(-c2ccc(N3CCC(O)CC3)nc2)c1-c1ccc(N2CCC(O)C2)cc1,CVJRICPQKQOJCI-UHFFFAOYSA-N
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-rxn:5:177739:225439:223133,CC(c1cccc(-c2cccc(C(=O)OC(C)(C)C)c2-c2ccccc2N2CCNCC2)c1)N1CCCC1,RMWJSKWJZZXODX-UHFFFAOYSA-N
-rxn:5:177851:225798:227710,CCOc1c(-c2ccc(OS(C)(=O)=O)cc2)cc(C2OCCO2)cc1-c1ccc(OC2CCOCC2)nc1,KKXHYVRRXPZONF-UHFFFAOYSA-N
-rxn:5:177891:223140:227449,O=C(SC1CS(=O)(=O)CC1c1ccc(C2CCOCC2)s1)c1ccccc1-c1ccnc(C2CCCNC2)c1,QPDSSAGFTWZMSI-UHFFFAOYSA-N
-rxn:5:177891:223285:226366,CS(=O)(=O)Nc1ccccc1-c1ccccc1C(=O)SC1CS(=O)(=O)CC1c1ccnc(N2CCCCC2)c1,FGQMJSZNKGQFQD-UHFFFAOYSA-N
-rxn:5:177891:226586:225803,O=C(SC1CS(=O)(=O)CC1c1ccnc(OC2CCOCC2)c1)c1ccccc1-c1ccnc(OC2CCOC2)c1,RPPDNFYYHSGJDU-UHFFFAOYSA-N
-rxn:5:177891:226649:228695,CN(C)Cc1cc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2cccnc2N2CCOCC2)cs1,JAKKINRYICGMDV-UHFFFAOYSA-N
-rxn:5:177891:227438:228016,O=C(SC1CS(=O)(=O)CC1c1cc(C2CCCC2)cs1)c1ccccc1-c1ccnc(C2CCOC2)c1,BSKXPAHOGIJKTJ-UHFFFAOYSA-N
-rxn:5:177891:227613:226649,O=C(SC1CS(=O)(=O)CC1c1cccnc1N1CCOCC1)c1ccccc1-c1cnn(C2CCOCC2)c1,AQJNDKSGTDXKNY-UHFFFAOYSA-N
-rxn:5:177891:228879:227449,O=C(SC1CS(=O)(=O)CC1c1ccc(C2CCOCC2)s1)c1ccccc1-c1ccnn1C1COC1,VUVVTTMYYDWXGS-UHFFFAOYSA-N
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-rxn:5:180021:225985:226583,COc1c(-c2cccc(N3CCCS3(=O)=O)c2)cc(C2OCCO2)cc1-c1ccc(CN2CCOCC2)s1,BKJPXPKCKGHBLP-UHFFFAOYSA-N
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-rxn:5:181904:226686:225466,Cc1cnn(C2CCCCO2)c1-c1ccc(C2OCCO2)c(C)c1-c1ccc(N2CCCCC2C)cc1,IFCJXAAWEGWWQY-UHFFFAOYSA-N
-rxn:5:181905:222981:225653,Cc1ccc(-c2ccc(N3CCCCC3C)nc2)c(C2OCCO2)c1-c1ccnc(NC2CCCCC2)c1,JDVUMKJLWFTPHM-UHFFFAOYSA-N
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-rxn:5:181906:225514:225514,Cc1ccc(-c2cccc3c2OCC2(CC2)CO3)c(C2OCCO2)c1-c1cccc2c1OCC1(CC1)CO2,BJLWSQUAKFEQJL-UHFFFAOYSA-N
-rxn:5:181907:225453:222985,Cc1cc(-c2cccc(SC3CCCCC3)c2)c(-c2ccc(C3CCCNC3)nc2C)c(C2OCCO2)c1,FMMSFTKUSQTWFO-UHFFFAOYSA-N
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-rxn:5:182012:226185:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2ccc(C3CCOCC3)cc2)cc1C1CCCOC1,UULVWSAFAOPETJ-UHFFFAOYSA-N
-rxn:5:182012:226427:222957,Cc1cc(-c2ccc(-c3cc(N4CCC(C)CC4)cs3)cc2C2CCCOC2)cc(C2CCCNC2)c1,PRXOLRKVKXWKHA-UHFFFAOYSA-N
-rxn:5:182013:222957:225439,Cc1cc(-c2ccc(-c3cccc(C(C)N4CCCC4)c3)c(C3CCOCC3)c2)cc(C2CCCNC2)c1,LUQAOQHMVRMLIF-UHFFFAOYSA-N
-rxn:5:183189:226686:225462,Cc1cnn(C2CCCCO2)c1-c1cc(-c2cccc(N3CCC(C)CC3)c2)cc2c1OC(C)(C)OC2,SCTXAPYRUCLPSZ-UHFFFAOYSA-N
-rxn:5:188374:225784:225943,COC(=O)Cc1cc(-c2ccc(C(=O)N3CCOCC3)s2)ncc1-c1ccc(CN2CCOCC2)nc1,DVPUUXFAYFWGOU-UHFFFAOYSA-N
-rxn:5:188375:223063:225943,COC(=O)Cc1nc(-c2ccc(C(=O)N3CCOCC3)s2)ccc1-c1cc(F)nc(C2CCNCC2)c1,LYKSGNWQVKYWLX-UHFFFAOYSA-N
-rxn:5:188375:225784:225943,COC(=O)Cc1nc(-c2ccc(C(=O)N3CCOCC3)s2)ccc1-c1ccc(CN2CCOCC2)nc1,QDIVSMRZVUAUAT-UHFFFAOYSA-N
-rxn:5:188375:225982:225943,COC(=O)Cc1nc(-c2ccc(C(=O)N3CCOCC3)s2)ccc1-c1cnc(N2CCOCC2)cc1F,XVLPCJMWQZILSU-UHFFFAOYSA-N
-rxn:5:188376:225784:225943,COC(=O)Cc1cnc(-c2ccc(C(=O)N3CCOCC3)s2)cc1-c1ccc(CN2CCOCC2)nc1,XMWVRUALDDFVCH-UHFFFAOYSA-N
-rxn:5:188381:225943:223063,CCOC(=O)c1ccc(-c2ccc(C(=O)N3CCOCC3)s2)nc1-c1cc(F)nc(C2CCNCC2)c1,PRMOKODCGSBTLP-UHFFFAOYSA-N
-rxn:5:188383:223063:225943,CCOC(=O)c1cc(-c2ccc(C(=O)N3CCOCC3)s2)cnc1-c1cc(F)nc(C2CCNCC2)c1,ZNKNMMVTEACVMX-UHFFFAOYSA-N
-rxn:5:188396:225943:223063,CCOC(=O)c1cc(-c2cc(F)nc(C3CCNCC3)c2)nc(-c2ccc(C(=O)N3CCOCC3)s2)c1,XPXGBDDVDRMESR-UHFFFAOYSA-N
-rxn:5:188930:223056:223138,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccc(N3CCC(O)CC3)nc2)cc1-c1ccnc(C2CCNCC2)c1,ADAIZCYZEPAXSH-UHFFFAOYSA-N
-rxn:5:188930:226649:226645,COC(=O)c1cc(S(N)(=O)=O)c(-c2cccnc2N2CCOCC2)cc1-c1ccnc(N2CCOCC2)c1,PZKXJFMUYQFCIZ-UHFFFAOYSA-N
-rxn:5:188931:225603:225515,COC(=O)c1cc(-c2cccc(C3(C#N)CCC3)c2F)cc(S(N)(=O)=O)c1-c1cccc2c1OCC(C)(C)CO2,GZBNYYRPDTWLHV-UHFFFAOYSA-N
-rxn:5:189001:223065:223294,COC(=O)C1(c2nc(-c3csc(N4CCNCC4)n3)ccc2-c2ccc(N3CCNCC3)cc2F)CC1,GKHIVBCQGVVRFV-UHFFFAOYSA-N
-rxn:5:189001:223065:225943,COC(=O)C1(c2nc(-c3ccc(C(=O)N4CCOCC4)s3)ccc2-c2ccc(N3CCNCC3)cc2F)CC1,GRFXOTPMQHBQAM-UHFFFAOYSA-N
-rxn:5:189001:225943:223065,COC(=O)C1(c2nc(-c3ccc(N4CCNCC4)cc3F)ccc2-c2ccc(C(=O)N3CCOCC3)s2)CC1,DMSBNCFMDNUZBX-UHFFFAOYSA-N
-rxn:5:189001:225976:222980,COC(=O)C1(c2nc(-c3ccc(CN4CCNCC4)cc3)ccc2-c2ccnc(N3CCOCC3)c2F)CC1,ZNOYHOZFPHYOMA-UHFFFAOYSA-N
-rxn:5:189079:223063:223062,CCN(C)C(=O)c1ccc(-c2cnc(C3CCNCC3)cc2F)c(-c2cc(F)nc(C3CCNCC3)c2)c1,HGJIHDXBRSSMBB-UHFFFAOYSA-N
-rxn:5:189081:223063:226583,CN(C)C(=O)Cc1ccc(-c2ccc(CN3CCOCC3)s2)cc1-c1cc(F)nc(C2CCNCC2)c1,IMKDKRKXJIZFSD-UHFFFAOYSA-N
-rxn:5:189209:226424:222993,CC1CCCN(c2csc(-c3cc(C(=O)ON4C(=O)CCC4=O)cc(-c4cccc(N5CCCCC5O)c4)c3)c2)C1,RNLUQZDXMCVTSQ-UHFFFAOYSA-N
-rxn:5:189211:223130:227298,CN(C)Cc1ccc(F)cc1-c1c(C(=O)ON2C(=O)CCC2=O)cccc1-c1ccc(CN2CC(O)C2)cc1,IYOMWCDMEQDCNI-UHFFFAOYSA-N
-rxn:5:189211:228621:226029,CCOc1c(F)c(F)c(-c2c(C(=O)ON3C(=O)CCC3=O)cccc2-c2ccc(C)cc2SC)c(F)c1F,NKWUDRRRYWTUIN-UHFFFAOYSA-N
-rxn:5:189212:227528:227660,COC(=O)c1ccc(-c2cc(C(=O)ON3C(=O)CCC3=O)ccc2-c2cc(C(F)(F)F)ccc2C)cc1F,NGKAJSIEAXAQFR-UHFFFAOYSA-N
-rxn:5:189319:223065:226794,CC(C)(C)OC(=O)c1nc(-c2cnc(N3CCSCC3)nc2)ccc1-c1ccc(N2CCNCC2)cc1F,HXCJNUWZGVVXMH-UHFFFAOYSA-N
-rxn:5:189319:225637:226663,CN1CCN(c2ccccc2-c2ccc(-c3ccc(N4CCSCC4)nc3)nc2C(=O)OC(C)(C)C)CC1,XVVBEYUFNHODCT-UHFFFAOYSA-N
-rxn:5:189319:225833:222990,CC(C)(C)OC(=O)c1nc(-c2ccc(N3CCC(O)CC3)cc2)ccc1-c1ccnc(N2CCCCC2)c1F,ALNVTDJNNDWBOE-UHFFFAOYSA-N
-rxn:5:189319:225833:222994,CC(C)(C)OC(=O)c1nc(-c2cccc(N3CCC(O)CC3)c2)ccc1-c1ccnc(N2CCCCC2)c1F,COGALEIQTMLOGL-UHFFFAOYSA-N
-rxn:5:189319:225833:223056,CC(C)(C)OC(=O)c1nc(-c2ccc(N3CCC(O)CC3)nc2)ccc1-c1ccnc(N2CCCCC2)c1F,UJTRPPUEXRBCKR-UHFFFAOYSA-N
-rxn:5:189319:225833:223144,CC(C)(C)OC(=O)c1nc(-c2ccc(N3CCC(O)C3)cc2)ccc1-c1ccnc(N2CCCCC2)c1F,BOHAQEWCYCBQFW-UHFFFAOYSA-N
-rxn:5:189319:225833:226645,CC(C)(C)OC(=O)c1nc(-c2ccnc(N3CCOCC3)c2)ccc1-c1ccnc(N2CCCCC2)c1F,CIODYQYTEJJFKB-UHFFFAOYSA-N
-rxn:5:189319:225833:226649,CC(C)(C)OC(=O)c1nc(-c2cccnc2N2CCOCC2)ccc1-c1ccnc(N2CCCCC2)c1F,XGQOTVABZDIYQH-UHFFFAOYSA-N
-rxn:5:189319:225834:222990,CC(C)(C)OC(=O)c1nc(-c2ccc(N3CCC(O)CC3)cc2)ccc1-c1cc(N2CCCCC2)ncc1F,KUEYIWWNYCKLIE-UHFFFAOYSA-N
-rxn:5:189319:225849:222990,CC(C)(C)OC(=O)c1nc(-c2ccc(N3CCC(O)CC3)cc2)ccc1-c1cnc(N2CCCCC2)cc1F,QIXIHOZTPBATPZ-UHFFFAOYSA-N
-rxn:5:189319:225879:226794,CC(C)(C)OC(=O)c1nc(-c2cnc(N3CCSCC3)nc2)ccc1-c1ccc(N2CCOCC2)cc1F,PNUPZLJTXRTMHM-UHFFFAOYSA-N
-rxn:5:189319:226441:223056,CC(C)(C)OC(=O)c1nc(-c2ccc(N3CCC(O)CC3)nc2)ccc1-c1ccc(N2CCCC2)cc1F,QWYASEDFIARWAS-UHFFFAOYSA-N
-rxn:5:189319:226658:222990,CC(C)(C)OC(=O)c1nc(-c2ccc(N3CCC(O)CC3)cc2)ccc1-c1ccc(N2CCCC2)nc1F,XOBKHOZJDORLMY-UHFFFAOYSA-N
-rxn:5:189319:226664:222994,CC(C)(C)OC(=O)c1nc(-c2cccc(N3CCC(O)CC3)c2)ccc1-c1cc(N2CCCC2)ncc1F,CSNCTXOHIWZLHN-UHFFFAOYSA-N
-rxn:5:189319:226679:222994,CC(C)(C)OC(=O)c1nc(-c2cccc(N3CCC(O)CC3)c2)ccc1-c1cnc(N2CCCC2)cc1F,IVSJTHXIWQJQOS-UHFFFAOYSA-N
-rxn:5:189320:225849:226663,CC(C)(C)OC(=O)c1cnc(-c2ccc(N3CCSCC3)nc2)c(-c2cnc(N3CCCCC3)cc2F)c1,OOEZQXDQNYIWQJ-UHFFFAOYSA-N
-rxn:5:189320:226794:225590,CC(C)(C)OC(=O)c1cnc(-c2ccc(CN3CCCC3)c(F)c2)c(-c2cnc(N3CCSCC3)nc2)c1,FRBATFJXRLRUQU-UHFFFAOYSA-N
-rxn:5:189321:222990:225833,CC(C)(C)OC(=O)c1nc(-c2ccc(N3CCC(O)CC3)cc2)ccc1-c1ccnc(N2CCCCC2)c1F,ALNVTDJNNDWBOE-UHFFFAOYSA-N
-rxn:5:189321:222990:226658,CC(C)(C)OC(=O)c1nc(-c2ccc(N3CCC(O)CC3)cc2)ccc1-c1ccc(N2CCCC2)nc1F,XOBKHOZJDORLMY-UHFFFAOYSA-N
-rxn:5:189321:222994:225833,CC(C)(C)OC(=O)c1nc(-c2cccc(N3CCC(O)CC3)c2)ccc1-c1ccnc(N2CCCCC2)c1F,COGALEIQTMLOGL-UHFFFAOYSA-N
-rxn:5:189321:223144:225833,CC(C)(C)OC(=O)c1nc(-c2ccc(N3CCC(O)C3)cc2)ccc1-c1ccnc(N2CCCCC2)c1F,BOHAQEWCYCBQFW-UHFFFAOYSA-N
-rxn:5:189321:225589:225639,CC1CCN(c2ncccc2-c2ccc(-c3ccc(CN4CCSCC4)cc3)nc2C(=O)OC(C)(C)C)CC1,NPAROORJLWQISW-UHFFFAOYSA-N
-rxn:5:189321:225590:226794,CC(C)(C)OC(=O)c1nc(-c2ccc(CN3CCCC3)c(F)c2)ccc1-c1cnc(N2CCSCC2)nc1,HMRXQKPXIXVLJL-UHFFFAOYSA-N
-rxn:5:189321:225833:226663,CC(C)(C)OC(=O)c1nc(-c2ccnc(N3CCCCC3)c2F)ccc1-c1ccc(N2CCSCC2)nc1,SSSWZRUTPGPQQG-UHFFFAOYSA-N
-rxn:5:189321:226364:225976,CC(C)(C)OC(=O)c1nc(-c2ccc(N3CCCCC3)nc2)ccc1-c1ccnc(N2CCOCC2)c1F,QUMHAIBXDVXDJA-UHFFFAOYSA-N
-rxn:5:189321:226366:225976,CC(C)(C)OC(=O)c1nc(-c2ccnc(N3CCCCC3)c2)ccc1-c1ccnc(N2CCOCC2)c1F,BEGLZBFHOQOXCX-UHFFFAOYSA-N
-rxn:5:189321:226794:223065,CC(C)(C)OC(=O)c1nc(-c2cnc(N3CCSCC3)nc2)ccc1-c1ccc(N2CCNCC2)cc1F,HXCJNUWZGVVXMH-UHFFFAOYSA-N
-rxn:5:189321:227403:225454,CN1CC=C(c2ccc(-c3ccc(-c4ccc(N5CCCCC5)s4)nc3C(=O)OC(C)(C)C)cc2)CC1,KGFICJXNBMIBSH-UHFFFAOYSA-N
-rxn:5:189322:226794:225834,CC(C)(C)OC(=O)c1cc(-c2cnc(N3CCSCC3)nc2)cnc1-c1cc(N2CCCCC2)ncc1F,WYMWLEKAIKDSPW-UHFFFAOYSA-N
-rxn:5:189322:226794:225849,CC(C)(C)OC(=O)c1cc(-c2cnc(N3CCSCC3)nc2)cnc1-c1cnc(N2CCCCC2)cc1F,CHADUBMFQOLYPF-UHFFFAOYSA-N
-rxn:5:189323:223054:225655,CC1CCN(c2cncc(-c3cc(C(=O)OC(C)(C)C)c(-c4ccc(C(C)N5CCC(O)C5)s4)cn3)c2)CC1,QURICKCOUXNAEN-UHFFFAOYSA-N
-rxn:5:189323:223144:225438,CC(c1ccc(-c2cc(C(=O)OC(C)(C)C)c(-c3ccc(N4CCC(O)C4)cc3)cn2)cc1)N1CCCC1,OTLGFKBDLNQFII-UHFFFAOYSA-N
-rxn:5:189323:225637:226663,CN1CCN(c2ccccc2-c2cnc(-c3ccc(N4CCSCC4)nc3)cc2C(=O)OC(C)(C)C)CC1,ACVSNCVBHLVAKI-UHFFFAOYSA-N
-rxn:5:189323:225833:222990,CC(C)(C)OC(=O)c1cc(-c2ccc(N3CCC(O)CC3)cc2)ncc1-c1ccnc(N2CCCCC2)c1F,FDPQQBPPWIXRMG-UHFFFAOYSA-N
-rxn:5:189323:225833:226649,CC(C)(C)OC(=O)c1cc(-c2cccnc2N2CCOCC2)ncc1-c1ccnc(N2CCCCC2)c1F,MLKWFKNEGADMQI-UHFFFAOYSA-N
-rxn:5:189323:225849:223294,CC(C)(C)OC(=O)c1cc(-c2csc(N3CCNCC3)n2)ncc1-c1cnc(N2CCCCC2)cc1F,IGIUJFRDNJMFPX-UHFFFAOYSA-N
-rxn:5:189323:225872:223294,CC(C)(C)OC(=O)c1cc(-c2csc(N3CCNCC3)n2)ncc1-c1cc(F)c(F)c(N2CCCC2)c1,KYEDGWXIWYEPTA-UHFFFAOYSA-N
-rxn:5:189334:222990:225833,CC(C)(C)OC(=O)c1ncc(-c2ccc(N3CCC(O)CC3)cc2)cc1-c1ccnc(N2CCCCC2)c1F,VITHCSODGABRJA-UHFFFAOYSA-N
-rxn:5:189334:222990:226679,CC(C)(C)OC(=O)c1ncc(-c2ccc(N3CCC(O)CC3)cc2)cc1-c1cnc(N2CCCC2)cc1F,AUKBTDDRHCQYCW-UHFFFAOYSA-N
-rxn:5:189334:222994:225833,CC(C)(C)OC(=O)c1ncc(-c2cccc(N3CCC(O)CC3)c2)cc1-c1ccnc(N2CCCCC2)c1F,XHNCPMLJJSVCFO-UHFFFAOYSA-N
-rxn:5:189334:223056:225976,CC(C)(C)OC(=O)c1ncc(-c2ccc(N3CCC(O)CC3)nc2)cc1-c1ccnc(N2CCOCC2)c1F,LFQJRSLCDIKXRV-UHFFFAOYSA-N
-rxn:5:189334:223144:225438,CC(c1ccc(-c2cc(-c3ccc(N4CCC(O)C4)cc3)cnc2C(=O)OC(C)(C)C)cc1)N1CCCC1,QYACGNQDFCLXDS-UHFFFAOYSA-N
-rxn:5:189334:225591:226794,CC(C)(C)OC(=O)c1ncc(-c2cc(CN3CCCC3)ccc2F)cc1-c1cnc(N2CCSCC2)nc1,YMTVDBSFGLVREM-UHFFFAOYSA-N
-rxn:5:189334:225593:226663,CC(C)(C)OC(=O)c1ncc(-c2cc(F)cc(CN3CCCC3)c2)cc1-c1ccc(N2CCSCC2)nc1,JGDZGLSNRVSCLG-UHFFFAOYSA-N
-rxn:5:189334:225593:226794,CC(C)(C)OC(=O)c1ncc(-c2cc(F)cc(CN3CCCC3)c2)cc1-c1cnc(N2CCSCC2)nc1,DNWIUDFXBCEAJZ-UHFFFAOYSA-N
-rxn:5:189334:225976:226649,CC(C)(C)OC(=O)c1ncc(-c2ccnc(N3CCOCC3)c2F)cc1-c1cccnc1N1CCOCC1,TVXSFUMREHXXEX-UHFFFAOYSA-N
-rxn:5:189334:226364:225976,CC(C)(C)OC(=O)c1ncc(-c2ccc(N3CCCCC3)nc2)cc1-c1ccnc(N2CCOCC2)c1F,PRMTUNZHIYXVOA-UHFFFAOYSA-N
-rxn:5:189334:226366:225976,CC(C)(C)OC(=O)c1ncc(-c2ccnc(N3CCCCC3)c2)cc1-c1ccnc(N2CCOCC2)c1F,FENKEPNCONTWOJ-UHFFFAOYSA-N
-rxn:5:189334:226643:225833,CC(C)(C)OC(=O)c1ncc(-c2ccc(N3CCOCC3)nc2)cc1-c1ccnc(N2CCCCC2)c1F,LYMVYPRTGCQVEY-UHFFFAOYSA-N
-rxn:5:189334:226645:225833,CC(C)(C)OC(=O)c1ncc(-c2ccnc(N3CCOCC3)c2)cc1-c1ccnc(N2CCCCC2)c1F,NRFCNMKXJGZDSF-UHFFFAOYSA-N
-rxn:5:189334:226794:223065,CC(C)(C)OC(=O)c1ncc(-c2cnc(N3CCSCC3)nc2)cc1-c1ccc(N2CCNCC2)cc1F,MIIHBYIOAXLSID-UHFFFAOYSA-N
-rxn:5:189334:226794:225879,CC(C)(C)OC(=O)c1ncc(-c2cnc(N3CCSCC3)nc2)cc1-c1ccc(N2CCOCC2)cc1F,KIJILVMWIQXBRF-UHFFFAOYSA-N
-rxn:5:189334:227404:225976,CC(C)(C)OC(=O)c1ncc(-c2cc(N3CCCCC3)cs2)cc1-c1ccnc(N2CCOCC2)c1F,QZZHPYLCMSUHKY-UHFFFAOYSA-N
-rxn:5:189448:225453:227055,COc1ccc(-c2cc(C(=O)N3CC(OC)C3)ccc2-c2cccc(SC3CCCCC3)c2)cc1C1CC1,IDVIRTLOANCXFM-UHFFFAOYSA-N
-rxn:5:189448:225784:225784,COC1CN(C(=O)c2ccc(-c3ccc(CN4CCOCC4)nc3)c(-c3ccc(CN4CCOCC4)nc3)c2)C1,KFWLWSHFQABVGP-UHFFFAOYSA-N
-rxn:5:189664:225976:223294,O=C(Cc1ccc(-c2ccnc(N3CCOCC3)c2F)cc1-c1csc(N2CCNCC2)n1)N1CCCC1,NINWOUJXRYHACG-UHFFFAOYSA-N
-rxn:5:189667:225451:223215,CC(C)(C)[S@](=O)/N=C/c1cc(-c2ccc(SC3CCCCC3)cc2)cc(-c2ccc3c(c2)NC(=O)CC3)c1,UTFNLJZZDHPWNM-QHIJMPIKSA-N
-rxn:5:189667:226064:225499,CC(C)(C)[S@](=O)/N=C/c1cc(-c2ccc(C3CCCCC3)cc2)cc(-c2ccc(C3CCCCC3)cc2F)c1,VMSQLOVTGPEGKQ-HHHCKTAKSA-N
-rxn:5:189667:226084:227103,CC(C)(C)[S@](=O)/N=C/c1cc(-c2ccc3c(c2)C(=O)CCCC3)cc(-c2sccc2C2CCCCC2)c1,IZKNXTKDFHMGFV-KOHQIRCGSA-N
-rxn:5:189667:226594:225602,CC(C)Oc1cc(F)c(-c2cc(/C=N/[S@@](=O)C(C)(C)C)cc(-c3cc(C4(C#N)CCC4)ccc3F)c2)c(F)c1,JWOFYFNQZDYORE-NJNCEQLISA-N
-rxn:5:189669:225407:227066,CC(C)(C)S(=O)/N=C/c1ccc(-c2ccc(C3CCCCCC3)cc2)c(-c2cccc(C(=O)C3CC3)c2)c1,CWROGPSEYOBVPP-QCFMCPCVSA-N
-rxn:5:189669:225407:228002,CC(C)(C)S(=O)/N=C/c1ccc(-c2ccc(C3CCCCCC3)cc2)c(-c2sccc2C2CCCC2)c1,BLYYHZBNOVBNHD-PPFNPFNJSA-N
-rxn:5:189669:227048:225453,CC(C)C(=O)c1ccc(-c2ccc(/C=N/S(=O)C(C)(C)C)cc2-c2cccc(SC3CCCCC3)c2)cc1,QHWFVKZOLGIUTE-PPOKSSTKSA-N
-rxn:5:189674:225407:226918,CC(C)(C)S(=O)/N=C/c1ccc(-c2ccc(C3=CCCC3)cc2)cc1-c1ccc(C2CCCCCC2)cc1,DJROXBDGNYQNEX-YRRMYEEHSA-N
-rxn:5:189675:225407:227120,CC(C)(C)S(=O)/N=C/c1cc(-c2ccc(C3CCC3)cc2F)ccc1-c1ccc(C2CCCCCC2)cc1,NWHIVJISGZTXCW-GOJREDGKSA-N
-rxn:5:189676:225976:227490,CC(C)(C)Oc1ncc(-c2ccc(CC(=O)N3CCCC3)cc2-c2ccnc(N3CCOCC3)c2F)cn1,OBQIXUINZNOBNW-UHFFFAOYSA-N
-rxn:5:189676:227490:225976,CC(C)(C)Oc1ncc(-c2cc(CC(=O)N3CCCC3)ccc2-c2ccnc(N3CCOCC3)c2F)cn1,ACNUPYLNZKMNLT-UHFFFAOYSA-N
-rxn:5:189826:223063:228567,CCC(C)c1sccc1-c1ccc(CC(=O)N2CCOCC2)c(-c2cc(F)nc(C3CCNCC3)c2)c1,NOIKKXJYIHCZAD-UHFFFAOYSA-N
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-rxn:5:189826:223063:228872,COC(=O)c1sccc1-c1ccc(CC(=O)N2CCOCC2)c(-c2cc(F)nc(C3CCNCC3)c2)c1,ZFWCQFPEJAUPSL-UHFFFAOYSA-N
-rxn:5:189826:223294:227023,CC(c1ccc(-c2ccc(CC(=O)N3CCOCC3)c(-c3csc(N4CCNCC4)n3)c2)cc1)N(C)C,RKUGEJVNPQTDOZ-UHFFFAOYSA-N
-rxn:5:189826:223294:227024,CC(c1cccc(-c2ccc(CC(=O)N3CCOCC3)c(-c3csc(N4CCNCC4)n3)c2)c1)N(C)C,USWNEEVEGNQRBI-UHFFFAOYSA-N
-rxn:5:189827:223063:223066,COC(=O)c1n[nH]c2cc(-c3ccc(CC(=O)N4CCOCC4)cc3-c3cc(F)nc(C4CCNCC4)c3)ccc12,ZVDULWSXGXEGOP-UHFFFAOYSA-N
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-rxn:5:189827:225439:225886,CC(c1cccc(-c2cc(CC(=O)N3CCOCC3)ccc2-c2ccc3c(ccn3S(C)(=O)=O)c2)c1)N1CCCC1,YZRLXZDGBSOOMM-UHFFFAOYSA-N
-rxn:5:189827:227701:223294,COC(=O)c1cc(-c2cc(CC(=O)N3CCOCC3)ccc2-c2csc(N3CCNCC3)n2)c(F)cn1,RHFRPXKGURCYNZ-UHFFFAOYSA-N
-rxn:5:189827:228872:223063,COC(=O)c1sccc1-c1cc(CC(=O)N2CCOCC2)ccc1-c1cc(F)nc(C2CCNCC2)c1,HTRMYJAEIIUKDR-UHFFFAOYSA-N
-rxn:5:189829:225453:228278,COc1cc(C)c(F)cc1-c1cc(C(=O)N2CCCC2)cc(-c2cccc(SC3CCCCC3)c2)c1OC,APLBRCMARXDNER-UHFFFAOYSA-N
-rxn:5:189909:225982:226644,Fc1cc(N2CCOCC2)ncc1-c1ccc(-c2cncc(N3CCOCC3)c2)cc1CCN1CCOCC1,GETCSEPGOLOGJV-UHFFFAOYSA-N
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-rxn:5:190000:223138:227077,CCC(C)c1ccc(-c2ccc(CC(=O)N3CCCCC3)c(-c3ccnc(C4CCNCC4)c3)c2)c(F)c1,UPGYTWCLXPMNJX-UHFFFAOYSA-N
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-rxn:5:190000:227045:226179,CC(C)(C)Sc1cccc(-c2cc(-c3cncc(C4CCCCC4)c3)ccc2CC(=O)N2CCCCC2)c1,HBBVPWMNKKEKRT-UHFFFAOYSA-N
-rxn:5:190000:228155:225436,COc1ccc(-c2cc(-c3ccc(CN4CCCCC4)cc3)ccc2CC(=O)N2CCCCC2)cc1OC,PHESIVSETMTDPE-UHFFFAOYSA-N
-rxn:5:190001:223007:223011,CC(C)Oc1cc2cn[nH]c2cc1-c1ccc(CC(=O)N2CCCCC2)cc1-c1cc(F)cc(C2CCNCC2)c1,MGZKJHATNSZEAE-UHFFFAOYSA-N
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-rxn:5:190001:228184:225453,COc1ccc(-c2cc(CC(=O)N3CCCCC3)ccc2-c2cccc(SC3CCCCC3)c2)cc1SC,AWDRQRSDLVPDOV-UHFFFAOYSA-N
-rxn:5:190127:226794:226663,COC1CCN(C(=O)c2cc(-c3cnc(N4CCSCC4)nc3)ccc2-c2ccc(N3CCSCC3)nc2)CC1,ZWMSSQKDJQQRJS-UHFFFAOYSA-N
-rxn:5:190127:226854:227039,COc1ccc(F)c(-c2ccc(-c3ccc(OC(C)(C)C)cc3)c(C(=O)N3CCC(OC)CC3)c2)c1[N+](=O)[O-],QVHMQJKCGINPIS-UHFFFAOYSA-N
-rxn:5:190128:225453:228558,CCSc1cccc(-c2cc(C(=O)N3CCC(OC)CC3)ccc2-c2cccc(SC3CCCCC3)c2)c1,WWIORIMGILHOTR-UHFFFAOYSA-N
-rxn:5:190128:226734:225872,COC1CCN(C(=O)c2ccc(-c3cccc(S(=O)(=O)N(C)C)c3)c(-c3cc(F)c(F)c(N4CCCC4)c3)c2)CC1,XETNLRJVTODMHF-UHFFFAOYSA-N
-rxn:5:190128:228115:226138,COC1CCN(C(=O)c2ccc(-c3ccc(OC(C)C)nc3)c(-c3c(C)cc(C#N)cc3C3CC3)c2)CC1,IQTKVGWRRCWCQV-UHFFFAOYSA-N
-rxn:5:190132:225499:227942,CCc1ccc(-c2cc(-c3ccc(C4CCCCC4)cc3F)ccc2C(=O)N2CCC(OC)CC2)c(OC)c1,GLNIRJMNQWCRTO-UHFFFAOYSA-N
-rxn:5:190132:228557:225451,COCc1cccc(-c2ccc(C(=O)N3CCC(OC)CC3)c(-c3ccc(SC4CCCCC4)cc3)c2)c1,CLAXQCGIXWKXJX-UHFFFAOYSA-N
-rxn:5:190177:226048:226841,COc1cc(-c2ccc(SC3CC(=O)N(c4ccc(-c5c(F)ccc(F)c5OC(F)(F)F)cc4)C3=O)cc2)cnc1C(F)(F)F,VYJWTFGUKRBETF-UHFFFAOYSA-N
-rxn:5:190194:223139:227710,COC1CCN(Cc2cccc(-c3ccc(C4CCNCC4)nc3)c2-c2ccc(OS(C)(=O)=O)cc2)CC1,JITKUDLUDAMYAG-UHFFFAOYSA-N
-rxn:5:190194:227059:226146,COc1ccc(-c2cccc(CN3CCC(OC)CC3)c2-c2ccc(SC3CCCC3)cc2)cc1C(C)C,GVWODFSTHBZKAZ-UHFFFAOYSA-N
-rxn:5:190194:227562:225498,COc1ccc(F)c(-c2cccc(CN3CCC(OC)CC3)c2-c2cc(C3CCCCC3)ccc2F)c1OC,ZDUBGACGRHUCQS-UHFFFAOYSA-N
-rxn:5:190194:227710:223139,COC1CCN(Cc2cccc(-c3ccc(OS(C)(=O)=O)cc3)c2-c2ccc(C3CCNCC3)nc2)CC1,JETHAEKEUWURHA-UHFFFAOYSA-N
-rxn:5:190195:223015:223062,COC(=O)c1ccc2[nH]c(-c3ccc(CN(C)C4CCOCC4)cc3-c3cnc(C4CCNCC4)cc3F)cc2c1,QWDLEQYQRMLAPJ-UHFFFAOYSA-N
-rxn:5:190195:227491:223113,CN(Cc1ccc(-c2cnc(OC3CCC3)nc2)c(-c2ccc3c(c2)C(C)(C)C(=O)N3)c1)C1CCOCC1,WSPPEFOZYUOSDC-UHFFFAOYSA-N
-rxn:5:190196:225590:222417,CC(C)c1[nH]c(=O)ncc1-c1cc(-c2ccc(CN3CCCC3)c(F)c2)ccc1CN(C)C1CCOCC1,JCZGXZPDPQTGFS-UHFFFAOYSA-N
-rxn:5:190197:228195:222981,Cc1nn(C(C)(C)C)cc1-c1cc(-c2ccnc(NC3CCCCC3)c2)ccc1CN(C)C1CCOCC1,BDKHZQCIFIXGBS-UHFFFAOYSA-N
-rxn:5:190198:225943:228173,CCOc1cc(F)ccc1-c1cccc(-c2ccc(C(=O)N3CCOCC3)s2)c1CN(C)C1CCOCC1,GUFKEBVPUMTJSZ-UHFFFAOYSA-N
-rxn:5:190198:226420:225639,CC1CCN(c2ncccc2-c2cccc(-c3ccc(F)c(N4CCCC4)c3)c2CN(C)C2CCOCC2)CC1,IXNQPTNQNHKLLZ-UHFFFAOYSA-N
-rxn:5:190201:223113:226571,CC1CN(CCc2cc(-c3ccc4c(c3)C(C)(C)C(=O)N4)ccc2-c2cnn(CC3CCOCC3)c2)CCO1,QABNWKILGGRXLR-UHFFFAOYSA-N
-rxn:5:190231:227523:223284,COC(=O)c1cnc(C)cc1-c1cc(C(=O)N2CCOC(C)C2)cc(-c2ccc(NS(C)(=O)=O)cc2)c1OC,OFERUPNZEQCYLM-UHFFFAOYSA-N
-rxn:5:190264:223063:223149,CCOc1cc2cn[nH]c2cc1-c1ccc(CC(=O)N2CCC(C)CC2)cc1-c1cc(F)nc(C2CCNCC2)c1,PBPUOXSSRUIHIB-UHFFFAOYSA-N
-rxn:5:190264:223141:228562,CCC(C)c1csc(-c2ccc(CC(=O)N3CCC(C)CC3)cc2-c2cncc(C3CCNCC3)c2)c1,BKRCKYGFAFWOIS-UHFFFAOYSA-N
-rxn:5:190264:226060:225886,CC1CCN(C(=O)Cc2ccc(-c3ccc4c(ccn4S(C)(=O)=O)c3)c(-c3cc(C4CC4)cc(C4CC4)c3)c2)CC1,AWLTYCZDPPFHBS-UHFFFAOYSA-N
-rxn:5:190264:226069:225886,CC1CCN(C(=O)Cc2ccc(-c3ccc4c(ccn4S(C)(=O)=O)c3)c(-c3cccc(C4CCCCC4)c3)c2)CC1,LHCBVMPZMOORGT-UHFFFAOYSA-N
-rxn:5:190264:227695:226062,COc1cc(-c2cc(CC(=O)N3CCC(C)CC3)ccc2-c2cc(C(C)C)cc(C(C)C)c2)cc([N+](=O)[O-])c1,QEMAXBNOWJQFMI-UHFFFAOYSA-N
-rxn:5:190264:228562:223141,CCC(C)c1csc(-c2cc(CC(=O)N3CCC(C)CC3)ccc2-c2cncc(C3CCNCC3)c2)c1,ROZGGVXNZOWZDS-UHFFFAOYSA-N
-rxn:5:190265:223062:227899,CCC#Cc1cncc(-c2ccc(CC(=O)N3CCCC(C)C3)cc2-c2cnc(C3CCNCC3)cc2F)c1,GXUARSIALUBKET-UHFFFAOYSA-N
-rxn:5:190265:223062:228512,CC#Cc1cccc(-c2ccc(CC(=O)N3CCCC(C)C3)cc2-c2cnc(C3CCNCC3)cc2F)c1,OKEHVFXGBRRGSR-UHFFFAOYSA-N
-rxn:5:190265:223062:228518,CC#Cc1ccc(-c2ccc(CC(=O)N3CCCC(C)C3)cc2-c2cnc(C3CCNCC3)cc2F)cc1,WUKUIOFXOILGGW-UHFFFAOYSA-N
-rxn:5:190265:223064:227899,CCC#Cc1cncc(-c2ccc(CC(=O)N3CCCC(C)C3)cc2-c2ccc(C3CCNCC3)nc2F)c1,LZWFNVQXTGDIEC-UHFFFAOYSA-N
-rxn:5:190265:227830:226150,CC1CCCN(C(=O)Cc2ccc(-c3cccc(SC4CCCC4)c3)c(-c3ccc(C4(C)CC4)cc3)c2)C1,GMTIIRPZPPLWCY-UHFFFAOYSA-N
-rxn:5:190307:226085:226847,CSc1ncc(C(F)(F)F)cc1-c1ccc(-c2ccc3c(c2)CCC(C)(C)O3)cc1CCN1CCC(C)CC1,IHMUJNASOMZEFY-UHFFFAOYSA-N
-rxn:5:190335:227052:227065,COc1c(-c2ccc(SC(C)(C)C)cc2)cc(C(=O)N2CCCCC2C)cc1-c1cccc(C(=O)C(C)C)c1,YCWBWTFFMHZLHH-UHFFFAOYSA-N
-rxn:5:190337:227045:227591,COc1cc(C(F)F)ccc1-c1cc(C(=O)N2CCC(C)CC2)cc(-c2cccc(SC(C)(C)C)c2)c1OC,VMQWHJKEGFFLIG-UHFFFAOYSA-N
-rxn:5:190421:228502:225603,Cn1cc(C(F)(F)F)c(-c2ccc(-c3ccc(C=C4SC(=S)N(c5cccc(-c6cccc(C7(C#N)CCC7)c6F)c5)C4=O)o3)cc2)n1,UHCYLXVFMPFOQS-UHFFFAOYSA-N
-rxn:5:190484:223242:227506,O=C(c1cccc(-c2ccnc(C3CCNC3)c2)c1)N1CCC(c2ccccc2-c2cccc(/C=C/[N+](=O)[O-])c2)S(=O)(=O)CC1,ITDFDHOGSLGHMK-QGOAFFKASA-N
-rxn:5:190484:223295:223138,CS(=O)(=O)Nc1cncc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4ccnc(C5CCNCC5)c4)S(=O)(=O)CC3)c2)c1,NEHFHSDMCZMAPX-UHFFFAOYSA-N
-rxn:5:190484:227052:227861,CC(C)(C)Sc1ccc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4cnc5c(c4)CCCC5)S(=O)(=O)CC3)c2)cc1,JMGHCAUEJAYQKS-UHFFFAOYSA-N
-rxn:5:190484:227065:228003,CSc1cc(C)c(-c2ccccc2C2CCN(C(=O)c3cccc(-c4cccc(C(=O)C(C)C)c4)c3)CCS2(=O)=O)c(C)c1,TXDHHLJOCWUGAY-UHFFFAOYSA-N
-rxn:5:190484:227810:227415,CCC(C)c1ccc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4ccc(C(C)(C)C)nc4F)S(=O)(=O)CC3)c2)cc1,PNUACXSSVWBSID-UHFFFAOYSA-N
-rxn:5:190484:227944:227205,CC(C)(C)c1cncc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4cccc5c4OCCCO5)S(=O)(=O)CC3)c2)c1,CCNPITQFIHIZAJ-UHFFFAOYSA-N
-rxn:5:190484:228616:226174,CSc1ccc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4ccc(C5CCCCC5)nc4)S(=O)(=O)CC3)c2)c(C)c1,RYAHOUHSCUTARL-UHFFFAOYSA-N
-rxn:5:190484:229015:225674,CC(C)c1sccc1-c1cccc(C(=O)N2CCC(c3ccccc3-c3cnc(C4CCCCC4)cc3F)S(=O)(=O)CC2)c1,JBEFDWNVCBYTJG-UHFFFAOYSA-N
-rxn:5:190583:223007:223054,CCOC(=O)c1cc2cc(-c3cc(F)cc(C4CCNCC4)c3)c(-c3ccc(C(C)N4CCC(O)C4)s3)cc2[nH]1,CEWNWGRPEDGSKA-UHFFFAOYSA-N
-rxn:5:190587:223058:225607,CCOC(=O)c1cc2c(-c3cc(F)nc(C4CCCNC4)c3)ccc(-c3ccc(C(C)N4CCCCC4)s3)c2[nH]1,NRMFYVYVIMYTFZ-UHFFFAOYSA-N
-rxn:5:190711:223062:226661,CCOC(=O)c1c(-c2cc(N3CCN(C)CC3)cs2)c2cc(-c3cnc(C4CCNCC4)cc3F)ccc2n1C,PNQLIBDKMIETKH-UHFFFAOYSA-N
-rxn:5:190740:225655:223010,CCOC(=O)c1cnc2c(C)cc(-c3cncc(N4CCC(C)CC4)c3)cc2c1-c1ccc(C2(O)CCOCC2)cc1,NJKNTVSCVAABOB-UHFFFAOYSA-N
-rxn:5:190740:225833:225982,CCOC(=O)c1cnc2c(C)cc(-c3ccnc(N4CCCCC4)c3F)cc2c1-c1cnc(N2CCOCC2)cc1F,LIDJPDRNKZFSSE-UHFFFAOYSA-N
-rxn:5:190740:226661:225982,CCOC(=O)c1cnc2c(C)cc(-c3cc(N4CCN(C)CC4)cs3)cc2c1-c1cnc(N2CCOCC2)cc1F,LZEUQSOHVJUZCX-UHFFFAOYSA-N
-rxn:5:190741:222994:223006,CCOC(=O)c1cnc2c(-c3cccc(N4CCC(O)CC4)c3)cc(C)cc2c1-c1ccc(F)c(C2CCNCC2)c1,QXXVKNPQXHGLIT-UHFFFAOYSA-N
-rxn:5:190741:223007:225639,CCOC(=O)c1cnc2c(-c3cc(F)cc(C4CCNCC4)c3)cc(C)cc2c1-c1cccnc1N1CCC(C)CC1,YWFYMLBKKWQJAA-UHFFFAOYSA-N
-rxn:5:190741:223063:225439,CCOC(=O)c1cnc2c(-c3cc(F)nc(C4CCNCC4)c3)cc(C)cc2c1-c1cccc(C(C)N2CCCC2)c1,XGHWZNLGOYSKNZ-UHFFFAOYSA-N
-rxn:5:190741:223064:225633,CCOC(=O)c1cnc2c(-c3ccc(C4CCNCC4)nc3F)cc(C)cc2c1-c1ccc(N2CCCCCC2)nc1,AJARVMLKOHMJRJ-UHFFFAOYSA-N
-rxn:5:190741:223064:225636,CCOC(=O)c1cnc2c(-c3ccc(C4CCNCC4)nc3F)cc(C)cc2c1-c1ccnc(N2CCC(C)CC2)c1,SRLGYLJMFBAHNS-UHFFFAOYSA-N
-rxn:5:190741:225439:223063,CCOC(=O)c1cnc2c(-c3cccc(C(C)N4CCCC4)c3)cc(C)cc2c1-c1cc(F)nc(C2CCNCC2)c1,FKMVOQZQUQCJNO-UHFFFAOYSA-N
-rxn:5:190742:223006:223006,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(F)c(C4CCNCC4)c3)c2c1-c1ccc(F)c(C2CCNCC2)c1,XKEYNIONRIRUDJ-UHFFFAOYSA-N
-rxn:5:190742:223058:225833,CCOC(=O)c1cnc2c(C)ccc(-c3cc(F)nc(C4CCCNC4)c3)c2c1-c1ccnc(N2CCCCC2)c1F,QMUZJUFKZOZGKK-UHFFFAOYSA-N
-rxn:5:190742:223063:225438,CCOC(=O)c1cnc2c(C)ccc(-c3cc(F)nc(C4CCNCC4)c3)c2c1-c1ccc(C(C)N2CCCC2)cc1,NSOVYMLTJYONMJ-UHFFFAOYSA-N
-rxn:5:190742:225655:225655,CCOC(=O)c1cnc2c(C)ccc(-c3cncc(N4CCC(C)CC4)c3)c2c1-c1cncc(N2CCC(C)CC2)c1,KNYRRJFITCXHSB-UHFFFAOYSA-N
-rxn:5:190742:225849:222990,CCOC(=O)c1cnc2c(C)ccc(-c3cnc(N4CCCCC4)cc3F)c2c1-c1ccc(N2CCC(O)CC2)cc1,UDAXJBZXESXDNO-UHFFFAOYSA-N
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-rxn:5:190742:225982:225834,CCOC(=O)c1cnc2c(C)ccc(-c3cnc(N4CCOCC4)cc3F)c2c1-c1cc(N2CCCCC2)ncc1F,YNRXDEJDHHJYMC-UHFFFAOYSA-N
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-rxn:5:190859:223288:227052,CNS(=O)(=O)c1cccc(-c2ccc3c(c2-c2ccc(SC(C)(C)C)cc2)CCN3C(=O)OC(C)(C)C)c1,WNCQRYQOHPWPAU-UHFFFAOYSA-N
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-rxn:5:193382:227803:226649,CN(C)S(=O)(=O)n1nccc1-c1ccc(S(=O)(=O)N2CCOCC2)c(-c2cccnc2N2CCOCC2)c1,AJCMNXHEDUPHDR-UHFFFAOYSA-N
-rxn:5:193382:227803:227684,CN(C)S(=O)(=O)n1nccc1-c1ccc(S(=O)(=O)N2CCOCC2)c(-c2cnn(CC3OCCO3)c2)c1,WEBKUPPELGOYML-UHFFFAOYSA-N
-rxn:5:193461:227052:225407,CC(C)(C)Sc1ccc(-c2ccc(C(=O)N3CCCCC3)c(-c3ccc(C4CCCCCC4)cc3)c2)cc1,KAPOQVRAKACTTN-UHFFFAOYSA-N
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-rxn:5:193506:228868:223146,COC(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3cccc(C4CNCCO4)c3)c2)s1,ZWFGZIVBKFYHLG-UHFFFAOYSA-N
-rxn:5:193542:223136:226686,Cc1cnn(C2CCCCO2)c1-c1c(CN2CCCCC2)cccc1-c1ccncc1C1CCCNC1,WXGCCGJMGMXDNR-UHFFFAOYSA-N
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-rxn:5:193808:226686:227426,Cc1cnn(C2CCCCO2)c1-c1ccc(-c2ccc(C3CCCO3)nc2)c(CN2CCC(C)CC2)c1,AVRZOZBTCIKCGJ-UHFFFAOYSA-N
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-rxn:5:193866:228621:225451,CSc1cc(C)ccc1-c1ccc(C2(N3CCC(=O)CC3)CC2)cc1-c1ccc(SC2CCCCC2)cc1,IAKLBYUCZSZLKV-UHFFFAOYSA-N
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-rxn:5:193871:223294:228171,CCOc1ccc(-c2ccc(C(=O)N3CCC4(CC3)CC4)cc2-c2csc(N3CCNCC3)n2)cc1F,BGQQRZMFHZVGND-UHFFFAOYSA-N
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-rxn:5:193912:228567:223001,CCC(C)c1sccc1-c1ccc(N2C(=O)CS(=O)C(c3ccc(-c4cc(C5CCCNC5)ccc4F)cc3)C2=O)cc1,VBLDXOQVCCKGKW-UHFFFAOYSA-N
-rxn:5:193968:227284:226966,N#Cc1cc(-c2ccc(-c3ccc4c(c3)C(=O)CCC4)c(CN3CCC4(CC3)OCCO4)c2)c(C2CC2)cn1,NFSZFDKLHMJNOR-UHFFFAOYSA-N
-rxn:5:193972:222987:229058,Cc1cc(-c2ccc(C3CCNCC3)nc2C)c(S(=O)(=O)N2CCCCCC2)cc1-c1cccnc1C#N,IZEJAXYVFFVKGK-UHFFFAOYSA-N
-rxn:5:193972:223138:228555,COCc1ccccc1-c1cc(S(=O)(=O)N2CCCCCC2)c(-c2ccnc(C3CCNCC3)c2)cc1C,YIGQTWCUMCNZBV-UHFFFAOYSA-N
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-rxn:5:194398:226900:226366,O=C(c1ccc(-c2ccc(S(F)(F)(F)(F)F)cc2)cc1-c1ccnc(N2CCCCC2)c1)N1CC2CC2C1,AIPVJJHAOJMKKY-UHFFFAOYSA-N
-rxn:5:194561:228186:226328,COc1c(SC)cccc1-c1ccc(-c2ccc(C(C)(C)C#N)c(F)c2)c(C(=O)N2C3CCC2COC3)c1,JOWZXEIYDOWITR-UHFFFAOYSA-N
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-rxn:5:194767:223062:222417,CC(C)c1[nH]c(=O)ncc1-c1ccc(-c2cnc(C3CCNCC3)cc2F)cc1C(=O)N1CCCC2(C1)OC(=O)c1ccccc12,DNMPYFSSAIHTII-UHFFFAOYSA-N
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-rxn:5:194791:227950:225797,Cc1ccc(N(C)C)cc1-c1ccccc1N1C(=O)C2C(c3ccc(-c4ccc(C(C)(C)C)c([N+](=O)[O-])c4)cc3)OC3(C(=O)c4ccccc4C3=O)C2C1=O,DYJMYDXZEAPJBA-UHFFFAOYSA-N
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-rxn:5:196789:225805:227710,CC(c1ccc(-c2ccc(N3CCOCC3=O)c(-c3ccc(OS(C)(=O)=O)cc3)c2)s1)N1CCOCC1,MBMGUNMPYIIDNJ-UHFFFAOYSA-N
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-rxn:5:196858:226686:222990,Cc1cnn(C2CCCCO2)c1-c1cnc(C2CCOCC2)cc1-c1ccc(N2CCC(O)CC2)cc1,PJWHJYOMNMLEHW-UHFFFAOYSA-N
-rxn:5:196917:225470:226654,CC1CCN(c2ccc(-c3ccc(-c4csc(N5CCC(C)CC5)n4)cc3C3=NC(C)(C)CO3)cc2)CC1,AQAZCCMBXMICRC-UHFFFAOYSA-N
-rxn:5:196970:227390:225832,Cc1nn(C2CCCCO2)c(C)c1-c1nccc(C2CCCCC2)c1-c1ccnn1C1CCCCC1,OOTIISGELDOALL-UHFFFAOYSA-N
-rxn:5:196971:223064:223008,Fc1ccc(C2CCNCC2)cc1-c1cc(-c2ccc(C3CCNCC3)nc2F)ncc1C1CCCCC1,FRYMLFKFBIXNDU-UHFFFAOYSA-N
-rxn:5:196971:225438:222957,Cc1cc(-c2cc(-c3ccc(C(C)N4CCCC4)cc3)ncc2C2CCCCC2)cc(C2CCCNC2)c1,CNRKGEVHXGKXPK-UHFFFAOYSA-N
-rxn:5:196978:222994:226686,Cc1cnn(C2CCCCO2)c1-c1cc(-c2cccc(N3CCC(O)CC3)c2)ccc1N1CCCCC1,PTTDGNJHEGPPQU-UHFFFAOYSA-N
-rxn:5:197876:225441:228781,CC(C)(C)c1ncc(C2CC2)cc1-c1cc2c(cc1-c1ccc(C(F)F)cc1)C(=O)N(C(C)(C)C)S2(=O)=O,UIKGDNWVRJEBSD-UHFFFAOYSA-N
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-rxn:5:197876:226437:227978,CC(C)c1ccc(F)c(-c2cc3c(cc2-c2cc(C4CCCC4)ncc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,PUPGQIAPHPLNLK-UHFFFAOYSA-N
-rxn:5:197876:226762:226971,CSc1cc(-c2cc3c(cc2-c2ccc4c(c2)CCCOC4)C(=O)N(C(C)(C)C)S3(=O)=O)cc(C(F)(F)F)c1,ZMVHDOJCTBDPIW-UHFFFAOYSA-N
-rxn:5:197876:226762:228431,CSc1cc(-c2cc3c(cc2-c2cc(F)cc(F)c2SC)C(=O)N(C(C)(C)C)S3(=O)=O)cc(C(F)(F)F)c1,SPXWVRBAZZZFAT-UHFFFAOYSA-N
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-rxn:5:197876:227076:226919,CCC(C)c1ccc(F)c(-c2cc3c(cc2-c2cccc(C4CCCC4)c2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,KIHIREBBRTUJON-UHFFFAOYSA-N
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-rxn:5:197876:227120:225439,CC(c1cccc(-c2cc3c(cc2-c2ccc(C4CCC4)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1)N1CCCC1,PSHYLQBUDSDWKM-UHFFFAOYSA-N
-rxn:5:197876:227415:226920,Cc1ccc(C(C)(C)C)cc1-c1cc2c(cc1-c1ccc(C(C)(C)C)nc1F)S(=O)(=O)N(C(C)(C)C)C2=O,CECDWIZTTAJOCJ-UHFFFAOYSA-N
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-rxn:5:197876:228361:226762,CSc1cc(-c2cc3c(cc2-c2cc(N(C)C)ncc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc(C(F)(F)F)c1,IBSJLGVOKYUXEN-UHFFFAOYSA-N
-rxn:5:226686:193338:227103,Cc1cnn(C2CCCCO2)c1-c1cc(CN2CCOCC2)cc(-c2sccc2C2CCCCC2)c1,OGCAHYMYKMDMOZ-UHFFFAOYSA-N
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-rxn:5:227932:178295:227077,CCC(C)c1ccc(-c2ccc(-c3cc(COC)ccc3C)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)c1,PPTYDTZWPFEBBI-UHFFFAOYSA-N
-rxn:5:227940:178295:225464,CCc1cc(SC)cc(-c2ccc(-c3cccc(N4CCCC(C)C4)c3)cc2C2(C(=O)OC)CCC(=O)CC2)c1,UGIZGYKRHVIGKT-UHFFFAOYSA-N
-rxn:5:227974:178295:225499,COC(=O)C1(c2cc(-c3ccc(C4CCCCC4)cc3F)ccc2-c2c(C)cc(OC)cc2C)CCC(=O)CC1,OGNSNIYRZJDOHZ-UHFFFAOYSA-N
-rxn:4:173393:223480,CCCOc1ccc(C(=O)OCC)cc1-c1cc(C)c(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c(C)c1,JODAZMYKSVTDDB-UHFFFAOYSA-N
-rxn:4:173404:224405,CCS(=O)(=O)Cc1ccc(OCC(F)(F)F)c(-c2cc(F)c(F)cc2S(=O)(=O)N2CCCC2)c1,RWHOOHHRUQNCSG-UHFFFAOYSA-N
-rxn:4:173435:224587,COC(=O)c1cc(OC)c(-c2ccc(CN3CCC(C)CC3)c(F)c2)c(OCC2CC2)c1,GSUQNDSOOJKQEA-UHFFFAOYSA-N
-rxn:4:173456:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2ccc(CC(=O)CC(=O)OC(C)(C)C)cc2)cc1,VHJHPQBQSKSONN-UHFFFAOYSA-N
-rxn:4:173482:222743,CC(=O)c1cc(-c2ccc(C(C)N3CCC(O)CC3)cc2)ccc1OCC(=O)OC(C)(C)C,PIUFNHXJXVECPN-UHFFFAOYSA-N
-rxn:4:173544:223556,COC(=O)c1ccc(-c2ccc3c(c2)c2ccccc2n3C(=O)OC(C)(C)C)c(OCCC2CCCCC2)c1,KPKFVQDSDWOTJA-UHFFFAOYSA-N
-rxn:4:173544:223992,COC(=O)c1ccc(-c2ccc(C)c(S(=O)(=O)N3CCN(C)CC3)c2)c(OCCC2CCCCC2)c1,IIZMNFWAGRRBAV-UHFFFAOYSA-N
-rxn:4:173572:224842,CC(C)(C)OCc1cc(COC(C)(C)C)cc(-c2ccc3c(c2)C(C)(C)CCC3(C)C)c1,AQGYLKUACFPEMZ-UHFFFAOYSA-N
-rxn:4:173573:224782,CN1CCN(c2cc(-c3ccccc3C(=O)CCCCC3OCC(C)(C)CO3)cc(F)c2F)CC1,VEPTWCFASIZKKU-UHFFFAOYSA-N
-rxn:4:173596:224272,COc1ccc(OC)c(-c2cc3ccncc3n2C(=O)OC(C)(C)C)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C,LSDHBICNHUKYIN-UHFFFAOYSA-N
-rxn:4:173597:223568,Cc1cc(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)cc(C)c1-c1cnc2c(ccn2[Si](C(C)C)(C(C)C)C(C)C)c1Cl,GUDGCUGMNFESMR-UHFFFAOYSA-N
-rxn:4:173641:222961,CCCCNC(=O)c1cccc(-c2cc3oc(C)c(C(=O)OC(C)C)c3cc2OC(=O)C(C)C)c1,SWLXJJUEYDEKOW-UHFFFAOYSA-N
-rxn:4:173641:222965,CCCC(=O)NCc1ccc(-c2cc3oc(C)c(C(=O)OC(C)C)c3cc2OC(=O)C(C)C)cc1,DXEPOHYFCDRWOY-UHFFFAOYSA-N
-rxn:4:173702:223649,CC(C)c1ccc(C=C2Oc3cc(OCC(=O)c4ccc(-c5cccc(N6CCN(C(=O)OC(C)(C)C)CC6)c5)cc4)ccc3C2=O)cc1,FESQMXODPPGBKH-UHFFFAOYSA-N
-rxn:4:173704:224719,COc1cccc2c(-c3cn(C(=O)OC(C)(C)C)nc3C(C)C)ccc(O[Si](C(C)C)(C(C)C)C(C)C)c12,ORISYMUJMJRJAY-UHFFFAOYSA-N
-rxn:4:173712:223528,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3ccc(OCC(F)(F)F)c(OC(F)(F)F)c3)ccc2F)CC1,SNJKQDUQRDLEEV-UHFFFAOYSA-N
-rxn:4:173802:222962,CCCCNC(=O)c1ccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)cc1,XSWHVMLUGAYPJJ-UHFFFAOYSA-N
-rxn:4:173802:226012,O=S(=O)(OC(c1ccc(-c2ccc(OCC(F)(F)F)cc2F)cc1)C(F)(F)F)C(F)(F)F,CTGCWRKPXBQZDQ-UHFFFAOYSA-N
-rxn:4:173803:225207,Cc1c(-c2cc(OCC(F)(F)C(F)(F)F)cc(C(F)(F)F)c2)cc(C2CC2)cc1C(F)(F)F,ZYMDRBOBSZJGEF-UHFFFAOYSA-N
-rxn:4:173881:223686,CC(=O)CCCSc1ccccc1-c1ccc(O[Si](C)(C)C(C)(C)C)c(OC(F)(F)F)c1,IHKXSSGPEITIGY-UHFFFAOYSA-N
-rxn:4:173931:223576,CCCOc1ccc(-c2cccc(OC3CCN(C(=O)OC(C)(C)C)CC3)c2)c(C(=O)C(F)F)c1F,UAAHXPKFHMEHDO-UHFFFAOYSA-N
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-rxn:4:174016:223922,CN(C(=O)c1cc(-c2cc(CS(C)(=O)=O)ccc2OCC(F)(F)F)ccc1Cl)C1CCCCC1,RQLQHPZWVZAMOZ-UHFFFAOYSA-N
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-rxn:4:174164:223823,CCOC(=O)C(C)(C)Oc1c(F)cc(-c2cnn(C3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1F,BYNCNMHLVWKMFR-UHFFFAOYSA-N
-rxn:4:174243:223697,COC(=O)c1ccc(OCc2ccc(-c3ccc(S(=O)(=O)N4CCCCC4)cc3C(F)(F)F)c(F)c2)cc1,CFGDGYWUDMFNFF-UHFFFAOYSA-N
-rxn:4:174406:224160,COC(=O)C1(c2ccc(-c3ccc4c(c3)CCN4C(=O)OC(C)(C)C)cc2)CC(OC)(OC)C1,LBRRTORDLXRXKO-UHFFFAOYSA-N
-rxn:4:174407:224193,CCN1CCN(Cc2cc(-c3cccc(C4(C(=O)OC)CC(OC)(OC)C4)c3)ccc2F)CC1,ULLSVKJTOVACTL-UHFFFAOYSA-N
-rxn:4:174421:222848,CCc1cc(-c2ccc(OC(F)(F)F)cc2OCC2CCCCC2)cc(C2CCCNC2)n1,LCXLHFQHHFSWLL-UHFFFAOYSA-N
-rxn:4:174495:223888,COc1ccccc1-c1cc(C(=O)OC(C)(C)C)cc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CCC3)c1,RGLZUIBCXNSOQJ-UHFFFAOYSA-N
-rxn:4:174502:225358,COC(=O)c1cc(-c2cc(C(C)(OC)OC)cc(C(C)(C)C)c2OC)cc(C(F)(F)F)c1,WOENBQUXTKFVLF-UHFFFAOYSA-N
-rxn:4:174508:222986,Cc1cc(-c2ccc(SC3=C(OC(=O)c4ccco4)CC(C)(C)CC3=O)cc2)cc(C2CCCNC2)n1,SAPDKTTWPOOAAY-UHFFFAOYSA-N
-rxn:4:174518:226039,CCc1nn(S(=O)(=O)N(C)C)cc1-c1cc(O[Si](C(C)C)(C(C)C)C(C)C)ccc1F,YTGLRJCFUMYQKD-UHFFFAOYSA-N
-rxn:4:174522:225286,CC(C)[Si](C#Cc1ccc(-c2cc(F)ncc2C(=O)OC(C)(C)C)cc1)(C(C)C)C(C)C,RYIVCXPHUHSLHG-UHFFFAOYSA-N
-rxn:4:174528:222918,COc1ccc(C)c(-c2c(C(C)C)cc(C(C)C)cc2C(C)C)c1-c1cccc(S(=O)(=O)NC(C)(C)C)c1,CDKHAVVQNPHJFS-UHFFFAOYSA-N
-rxn:4:174544:224619,COC(=O)C12CC(COc3ccc(Cl)c(-c4ccc(OCCN5CCCC5)c(F)c4)c3)(C1)C2,LRGOYNYAWWPLCK-UHFFFAOYSA-N
-rxn:4:174654:224081,CC(C)(C)[Si](C)(C)OCCc1ccccc1-c1ccc(C(=O)COc2ccc3c(c2)OC(=CC2=Cc4ccccc4OC2)C3=O)cc1,BYKISLKDLHAFDI-UHFFFAOYSA-N
-rxn:4:174756:225297,O=S(=O)(c1cccc(-c2ccc(OC(F)(F)C(F)(F)F)cc2C(F)(F)F)c1)N1CCCC1,XNSASSLQALEMPH-UHFFFAOYSA-N
-rxn:4:174944:225117,COC(=O)c1cc(C(F)(F)F)c(-c2cc(OCCC(C)C)c(F)cc2F)cc1C(F)(F)F,GSGLHVDRMBPPLA-UHFFFAOYSA-N
-rxn:4:175088:223683,CC(C)(C)OC(=O)N1CCC(Oc2ncc(-c3ccc(C(C)(F)F)c(OCC(F)F)c3)cn2)C1,MPXMIIBATJWALD-UHFFFAOYSA-N
-rxn:4:175355:223810,Cc1cc(-c2cc(OCC(C)C)ccc2C(F)(F)F)cc(C)c1S(=O)(=O)N1CCC(C)CC1,RXNYOCWEAUTUHS-UHFFFAOYSA-N
-rxn:4:175710:222545,COC(=O)c1ccc(OC(C)(C)C)c(-c2ccc(C(C)(C)NC(=O)OC(C)(C)C)cc2)c1,QBCWJYHMDMGCSA-UHFFFAOYSA-N
-rxn:4:175822:224730,C#Cc1cc(F)c(OCC2CCOCC2)c(-c2cc(C(F)(F)F)ccc2OCC(C)C)c1,VOTAFYUVWHPGRO-UHFFFAOYSA-N
-rxn:4:176048:224731,CC(C)(C)COS(=O)(=O)c1cccc(-c2ccc(OCC3CCOCC3)c(C(C)(F)F)c2)c1,BCPKGDXVIXFODL-UHFFFAOYSA-N
-rxn:4:176140:224877,CC(F)(F)c1cc(-c2ccc(COC3CCCCC3)cc2)ccc1OCC1CCCCC1,NZGJCARROUXLEB-UHFFFAOYSA-N
-rxn:4:176140:225090,CCOCc1cc(OC)c(-c2ccc(OCC3CCCCC3)c(C(C)(F)F)c2)c(OC)c1,PVFGUQKJNAHRRG-UHFFFAOYSA-N
-rxn:4:176155:223748,Cc1cc(-c2cc(N3CCCCC3)cc(N3CCCCC3)c2)ccc1CO[Si](C)(C)C(C)(C)C,BJLNLXPQNRFHKS-UHFFFAOYSA-N
-rxn:4:176262:223831,COc1ccc(-c2cccc(C=C3Oc4cc(OC(=O)C(C)C)ccc4C3=O)c2)cc1S(=O)(=O)N1CCC(C)CC1,ALRANGPADJZHQQ-UHFFFAOYSA-N
-rxn:4:176452:222700,Fc1cc(C(F)(F)F)c(OC(F)(F)F)cc1-c1ccc(C(F)(F)F)cc1C1CCCNC1,DAFXHWUSJYSGKU-UHFFFAOYSA-N
-rxn:4:176514:222693,O=C(c1cc(-c2ccc(S(=O)(=O)NC3CCCCC3)cc2)cc(C(F)(F)F)c1)C(F)(F)F,JCEPWHZZPYOHCU-UHFFFAOYSA-N
-rxn:4:176517:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)cc(F)c2C(=O)C(F)(F)F)cc1,CGXTWLVINMKVOY-UHFFFAOYSA-N
-rxn:4:176647:223559,CC(=O)c1ccc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)cc1OC(F)F,RHABAGFVADFSAU-UHFFFAOYSA-N
-rxn:4:178098:223559,COC(=O)c1ccc(C(C)(C)C)c(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)c1,CORGNURZVPFSGB-UHFFFAOYSA-N
-rxn:4:178305:223696,O=C(c1ccc(C2OCCO2)cc1)c1ccc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc2)cc1F,PNPNCYHHQCSQET-UHFFFAOYSA-N
-rxn:4:178384:226255,CCCCOc1ccc(Cl)cc1-c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1,IFVLHTOIWKDHPM-UHFFFAOYSA-N
-rxn:4:178384:226517,COc1cc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)cc(OC)c1C#N,YAZFRYRIPDPSKB-UHFFFAOYSA-N
-rxn:4:178384:228258,COc1c(F)ccc(C)c1-c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1,XTACPJVDZHUFMT-UHFFFAOYSA-N
-rxn:4:178384:228843,Cc1cc(F)cc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c1Cl,OBLQJFSRJZOFQQ-UHFFFAOYSA-N
-rxn:4:178427:222439,O=S(=O)(NC1CCCCC1)c1ccc(-c2cc(OCC(F)(F)F)cc3ccccc23)c(C(F)(F)F)c1,XNAZFGRXIKFZRS-UHFFFAOYSA-N
-rxn:4:178478:223559,COC(=O)c1cccc2c(-c3ccc4c(c3)C(C)=CC(C)(C)N4C(=O)OC(C)(C)C)c(OC)ccc12,PWJXEUXVGOHZDW-UHFFFAOYSA-N
-rxn:4:178489:223846,COC(=O)C12CC(c3ccc(-c4cc(C)cc(C5CC6CCC5(C)C6(C)C)c4)cc3)(C1)C2,BKGUVMKSUITGHE-UHFFFAOYSA-N
-rxn:4:178588:224585,CC1CCN(C(=O)c2ccc(-c3ccc4c(c3)CCC(O[Si](C)(C)C(C)(C)C)C4)cc2)CC1,FMAPORWGNUHUJV-UHFFFAOYSA-N
-rxn:4:178597:225060,Cc1cccc(-c2ccc(-c3ccc(OC(=O)C4OC5OC(C)(C)OC5C5OC(C)(C)OC45)cc3)c(F)n2)c1,PUHBDCNAXVXZBM-UHFFFAOYSA-N
-rxn:4:178597:226220,Cc1cc(Cl)c2cc(-c3ccc(OC(=O)C4OC5OC(C)(C)OC5C5OC(C)(C)OC45)cc3)ccc2n1,HEGGGIHUSCGNNB-UHFFFAOYSA-N
-rxn:4:178597:226905,Cc1ccc2cc(-c3ccc(OC(=O)C4OC5OC(C)(C)OC5C5OC(C)(C)OC45)cc3)ccc2c1,VOBDEGCQWDZEQW-UHFFFAOYSA-N
-rxn:4:178597:229307,Cc1oncc1-c1ccc(OC(=O)C2OC3OC(C)(C)OC3C3OC(C)(C)OC23)cc1,UVECYGGFEGGRJI-UHFFFAOYSA-N
-rxn:4:179112:223506,CSc1ccc(C(F)(F)F)c(-c2cccc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)c1,CLKNFRYMNRQGBQ-UHFFFAOYSA-N
-rxn:4:179653:222881,CC(C)(C)NC(=O)c1ccc(-c2cc(S(F)(F)(F)(F)F)cc(S(F)(F)(F)(F)F)c2)c(F)c1,ZEFWLLZIFXZOIP-UHFFFAOYSA-N
-rxn:4:180077:223521,CC(=O)C(C)(C)c1cccc(-c2cccc(C(C)N3CCN(C(=O)OC(C)(C)C)CC3)c2)c1,VSVDPEBPJVOIGZ-UHFFFAOYSA-N
-rxn:4:180431:222511,O=C(NC1CCCCC1)c1cc(-c2ccccc2S(=O)(=O)C2CCCCC2)cc([N+](=O)[O-])c1,HEBLMLKZXGLZMZ-UHFFFAOYSA-N
-rxn:4:180447:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2ccccc2CC2C(=O)OC(C)(C)OC2=O)cc1,ZCPIMSVPRPRJGF-UHFFFAOYSA-N
-rxn:4:180486:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3cc(C4CC4)ccc3C3CCOCC3)cc2)CC1,CNBFXAXGPMUCGI-UHFFFAOYSA-N
-rxn:4:180815:222912,COc1ccc(-c2ccc(S(=O)(=O)NCC(C)C)cc2)cc1C12CC3CC(CC(C3)C1)C2,VZVIMDUVIYDQGX-UHFFFAOYSA-N
-rxn:4:180815:224598,COc1cc(N2CCC(C)CC2)ccc1-c1ccc(OC)c(C23CC4CC(CC(C4)C2)C3)c1,DSVNQTFCQDSGOA-UHFFFAOYSA-N
-rxn:4:181638:223531,Cc1cc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)c(Cl)c2)c(S(C)(=O)=O)cc1F,WDHLMLKFOGWWPE-UHFFFAOYSA-N
-rxn:4:181954:223697,O=C1CCOCC1c1cccc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2C(F)(F)F)c1,JUAAOLAHCOBMQY-UHFFFAOYSA-N
-rxn:4:182275:223637,COc1ccc2c(c1-c1ccccc1C1CCCN(C(=O)OC(C)(C)C)C1)C(=O)CCC2,RCFLBLRGAFLJFO-UHFFFAOYSA-N
-rxn:4:182372:224616,CO[C@H]1CC[C@]2(CC1)Cc1ccc(-c3ccccc3OCCN3CCOCC3)cc1C2=O,GOLUHBVYBZXLBO-MGFGWZDJSA-N
-rxn:4:182372:224743,CO[C@H]1CC[C@]2(CC1)Cc1ccc(-c3c(F)cc(C(=O)OC(C)(C)C)cc3F)cc1C2=O,ALZBQZGZBKRRBO-AJHAWQTOSA-N
-rxn:4:182376:224291,CO[C@H]1[C@H](C)C[C@@]2(Cc3ccc(-c4ccc(OCCN5CCOCC5)c(F)c4)cc3C2=O)C[C@@H]1C,WAYGWWHAYKEUCA-BFVWLKTBSA-N
-rxn:4:182376:224976,CO[C@H]1[C@H](C)C[C@@]2(Cc3ccc(-c4cccc(N5CCCCC5)c4C#N)cc3C2=O)C[C@@H]1C,FJZKNOUMODMASN-BFVWLKTBSA-N
-rxn:4:182376:225456,CO[C@H]1[C@H](C)C[C@@]2(Cc3ccc(-c4ccc(C5CCN(C)CC5)cc4)cc3C2=O)C[C@@H]1C,ILLUOOPFIFRQPF-BFVWLKTBSA-N
-rxn:4:183150:223530,CC1CS(=O)(=O)c2ccc(-c3cc(F)ccc3CN3CCN(C(=O)OC(C)(C)C)CC3)cc2O1,RMUGDXNARTTXTD-UHFFFAOYSA-N
-rxn:4:183175:223497,CC(c1ccc(-c2ccc3c(c2)C(C)(C)CC3=O)cc1)N1CCC(O[Si](C)(C)C(C)(C)C)CC1,IKPMFVSUKCYTRH-UHFFFAOYSA-N
-rxn:4:183272:224601,c1cc2c(cc1-c1ccc3c(cnn3C3CCCCO3)c1)OCCOCCOCCOCCOCCO2,ZDFHGEWLUNJBMI-UHFFFAOYSA-N
-rxn:4:183272:228194,Cc1nn(C(C)C)c(C)c1-c1ccc2c(c1)OCCOCCOCCOCCOCCO2,BXWQQOSFFBQUEB-UHFFFAOYSA-N
-rxn:4:183273:224265,FC(F)(F)c1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc(C2CCCCC2)c1,CMCZTVJBLCKZCD-UHFFFAOYSA-N
-rxn:4:183273:227208,Cc1c(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)sc2ccc(Cl)cc12,ZPERVGPEBXBGIB-UHFFFAOYSA-N
-rxn:4:183273:228186,COc1c(SC)cccc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,FRMIDXDMOCCCLF-UHFFFAOYSA-N
-rxn:4:183273:228615,CSc1ccc(C)cc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,RKLOXPNKOVBUSH-UHFFFAOYSA-N
-rxn:4:183273:229277,Cn1ncc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1Cl,FYKYLEPRZZAZOA-UHFFFAOYSA-N
-rxn:4:183274:223314,Cc1c(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCOCCO3)ccc2[nH]ncc12,NSXSSMPBJYMKOX-UHFFFAOYSA-N
-rxn:4:183274:224164,Cc1cc2cnn(C3CCCCO3)c2cc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCOCCO2,JNFXSAYTYYIWKN-UHFFFAOYSA-N
-rxn:4:183274:224441,CCOc1ccc(-c2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCOCCO4)cc2)cc1,YBUZLUKTPHJOBV-UHFFFAOYSA-N
-rxn:4:183274:226791,Cc1nc(-n2cccn2)ncc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCOCCO2,GGGYFDIKFNBAQP-UHFFFAOYSA-N
-rxn:4:183274:228395,COc1cc(F)c(F)cc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCOCCO2,RRXQATHVDMNGDX-UHFFFAOYSA-N
-rxn:4:183379:224322,CC1CCN(S(=O)(=O)c2ccc(-c3cc4c(c5c3OC(C)(C)C=C5)OC(C)(C)OC4=O)cc2)CC1,SFHMFEUMUXTWCL-UHFFFAOYSA-N
-rxn:4:183531:222573,CCOC(=O)Cc1cc(C#N)c(C(F)(F)F)c(-c2cc(F)cc(C(=O)NCC3CCCCC3)c2)c1,ACRSKMXNLNAHLR-UHFFFAOYSA-N
-rxn:4:183534:224306,CCOC(=O)Cc1cc(C(F)(F)F)c(-c2ccc(C(F)(F)F)cc2OC2CCCC2)cc1C#N,RGOIJUBAHOGXHT-UHFFFAOYSA-N
-rxn:4:183538:224848,CCOC(=O)Cc1cc(C#N)c(-c2ccc([C@H]3CC[C@H](CC)CC3)cc2)cc1C(F)(F)F,XBBKFPRQYFLLBS-IYARVYRRSA-N
-rxn:4:183543:222853,CCOC(=O)Cc1c(-c2ccc(CN3CCC(O)CC3)cc2)ccc(C(F)(F)F)c1C#N,ANEDFMWVRRNNKX-UHFFFAOYSA-N
-rxn:4:183551:224395,CCOC(=O)Cc1ccc(C#N)c(OC)c1-c1cc(N2CCOCC2)cc(C(F)(F)F)c1,SEECGBHRRFYNMI-UHFFFAOYSA-N
-rxn:4:183601:223978,COCCCOc1cc(-c2ccc(C(=O)OC(C)(C)C)c(C(F)(F)F)c2)c(C)cc1[N+](=O)[O-],ISUWVDVIHSCMLL-UHFFFAOYSA-N
-rxn:4:183605:224997,COC(=O)c1cc(OCC2CC2)c(-c2ccc(C(=O)N3CCCCC3)cc2)cc1[N+](=O)[O-],HJCHACUSRKXVBP-UHFFFAOYSA-N
-rxn:4:183640:223019,COC(=O)C(C(=O)OC)c1cc(-c2cccc(C(=O)NCCC#N)c2)c(C)cc1[N+](=O)[O-],CKGKZEKNFRLBHI-UHFFFAOYSA-N
-rxn:4:183667:224585,COC(=O)C(Oc1cc([N+](=O)[O-])ccc1-c1ccc(C(=O)N2CCC(C)CC2)cc1)C(C)C,PUFARYCGJZZSTM-UHFFFAOYSA-N
-rxn:4:183668:225044,CC(C)(C)OC(=O)C(C#N)C(=O)c1ccc(-c2cc([Si](C)(C)C)cc([Si](C)(C)C)c2)cc1,VTRDKRCHDFIWPJ-UHFFFAOYSA-N
-rxn:4:183693:225329,COC(=O)C1CN(Cc2cc(-c3ccc(OCC(F)(F)F)c(C#N)c3)ccc2OC(F)(F)F)C1,YTHIZAZQHHNRPN-UHFFFAOYSA-N
-rxn:4:183694:225739,CCCCOc1c(F)cc(-c2cc(CN3CC(C(=O)OC)C3)cc(OC(F)(F)F)c2)cc1F,JPRDSTMZQOXDPB-UHFFFAOYSA-N
-rxn:4:183695:226843,O=C(COc1ccc(OC(F)(F)F)cc1-c1ccc(C(=O)C(F)(F)F)nc1)N1CCCC1,HZAXFRSVARBTRZ-UHFFFAOYSA-N
-rxn:4:183726:226547,CCCOc1cc(-c2ccc(OC)c(C(=O)OC)c2)ccc1C(=O)ON1C(=O)CCC1=O,GNAZQCZMGZJLMW-UHFFFAOYSA-N
-rxn:4:183730:223685,O=C(COc1cc(OC(F)(F)F)ccc1-c1ccc(OC(F)(F)F)c(OCc2cccnc2)c1)N1CCOCC1,XGWOFZJQIZAEHM-UHFFFAOYSA-N
-rxn:4:183732:226494,CCN(CC)c1ncc(-c2cc(OC(F)(F)F)ccc2OCCN2CCC(F)(F)C2)c(C)n1,CMROONVDVVMLIH-UHFFFAOYSA-N
-rxn:4:183744:223873,CCN(CC)C(=O)c1c(OC)cc(-c2ccccc2CCC(=O)N2CCC(C)CC2)cc1OC,IYGYXRMWGBJJHP-UHFFFAOYSA-N
-rxn:4:183760:222945,COCCOc1cc(-c2ccc(S(=O)(=O)NC(C)C)c(F)c2)ccc1C(=O)N1CCCC1,FJZUOCOBCDWWHN-UHFFFAOYSA-N
-rxn:4:183795:223093,COC(=O)c1ccc(N(C)C(=O)OC(C)(C)C)c(-c2cncc(NS(=O)(=O)C(C)C)c2)c1,QESJWEYBCOQKCF-UHFFFAOYSA-N
-rxn:4:183811:223540,CCOc1ccc(-c2cc(C(=O)Oc3cccc(-c4cc(S(=O)(=O)N5CCC6(CC5)OCCO6)ccc4OC)c3)no2)cc1,WSJSHQRAOKOZMH-UHFFFAOYSA-N
-rxn:4:183818:222945,CC(C)NS(=O)(=O)c1ccc(-c2ccccc2CN(C(=O)OC(C)(C)C)C2CC2)cc1F,ZSXSIFBFJSMDLI-UHFFFAOYSA-N
-rxn:4:183820:222638,CC(NC(=O)OC(C)(C)C)c1cccc(-c2ccc(OCC(C)(C)C(=O)OC(C)(C)C)nc2)c1,ZISBHFYMWFWNSE-UHFFFAOYSA-N
-rxn:4:183820:224566,COC(=O)C1(c2ccc(-c3ccc(OCC(C)(C)C(=O)OC(C)(C)C)nc3)cc2)CCCC1,KXVFIXQBBXCHJY-UHFFFAOYSA-N
-rxn:4:183864:224796,COC(=O)CN1CCCC(COc2cccc(-c3cncc(S(=O)(=O)OCC(C)(C)C)c3)c2)C1,SDKAMSPMWSYSCX-UHFFFAOYSA-N
-rxn:4:183870:223079,CC(C)NS(=O)(=O)c1cccc(-c2ccc(OCC3CN(C(=O)OC(C)(C)C)C3)cc2)c1,PHMTZWJMDRKWTN-UHFFFAOYSA-N
-rxn:4:183873:224250,COC(=O)c1cc(OCCN2CCCCC2)cc(-c2cc(C(=O)N3CCCCC3C)ccc2F)c1,HRHSKONKQJJDBB-UHFFFAOYSA-N
-rxn:4:183880:226771,COC(=O)c1cc(F)c(F)cc1-c1ccc(OCC2CN(C(=O)OC(C)(C)C)C2)c(F)c1,PUPJMDZSNRUCQV-UHFFFAOYSA-N
-rxn:4:183894:225571,COC(=O)c1ccc(-c2cccc(F)c2OCCCN2CCC(C(F)(F)F)CC2)c(C2CC2)c1,OEFRHNBGLOJYKY-UHFFFAOYSA-N
-rxn:4:183905:223969,CCCCN(C(=O)c1ccc(-c2cc(C(F)(F)F)ccc2N2CCC(C)CC2)cc1)C1CCS(=O)(=O)C1,JJYVJRBAUKLZKJ-UHFFFAOYSA-N
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-rxn:4:184094:222904,CC(C)c1ccc(CN(C(=O)c2ccccc2-c2ccc(NC(=O)OC(C)(C)C)nc2)C2CCS(=O)(=O)C2)cc1,KLKNCPVJTPGQBE-UHFFFAOYSA-N
-rxn:4:184096:228644,Cc1cc(-c2ccc(CN(C(=O)OC(C)(C)C)C3CCC(C)(C)CC3)cc2)cc(C)c1F,UWBSQOWRLMOAAK-UHFFFAOYSA-N
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-rxn:4:184099:226723,COC(=O)c1cnc(OC)cc1-c1ccc(C(C)N(C(=O)OC(C)(C)C)C2CCC(C)(C)CC2)cc1,SBYHLCIITCUXNF-UHFFFAOYSA-N
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-rxn:4:184966:224790,CCCOc1cc(-c2ccc(S(=O)(=O)N(CC(F)(F)F)C(C)(C)C)cc2)ccc1OC(F)(F)F,HJKIPVPTFUOMJR-UHFFFAOYSA-N
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-rxn:4:185030:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1ccc(OCCCN2CCC(F)(F)CC2)cc1,FWYNQCJWVNPSQM-UHFFFAOYSA-N
-rxn:4:185086:224100,Cc1cc(-c2ccccc2OCCN2CCC(C)CC2)ccc1OCCCN1CCOCC1,NGBGAORICWYLHE-UHFFFAOYSA-N
-rxn:4:185086:224244,Cc1cc(-c2ccc(Cl)c(C(=O)N3CCC(C)CC3)c2)ccc1OCCCN1CCOCC1,GMILSZKPFVPETO-UHFFFAOYSA-N
-rxn:4:185097:223580,COC(=O)c1ccc2c(c1)cc(-c1cc(Cl)cc(F)c1OCCN1CCC(OC)CC1)n2C(=O)OC(C)(C)C,IHHLESYBOYOKBE-UHFFFAOYSA-N
-rxn:4:185102:224018,CC(C)CN(C(=O)c1ccc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCOCC2)o1)C1CCS(=O)(=O)C1,OMWGIVSUVXHAAG-UHFFFAOYSA-N
-rxn:4:185104:222518,CC(C)CS(=O)(=O)C1CN(C(=O)c2cccc(-c3ccc(F)c4sc(NC(=O)OC(C)(C)C)nc34)c2)C1,CYGLSDCPBRBPBC-UHFFFAOYSA-N
-rxn:4:185104:223078,CCNS(=O)(=O)c1ccc(-c2cccc(C(=O)N3CC(S(=O)(=O)CC(C)C)C3)c2)c(C)c1,NNQYGEHAYNGNPK-UHFFFAOYSA-N
-rxn:4:185127:225363,CC(C)(C)[Si](C)(C)OCc1cc(-c2ccc(C(=O)N3CC(F)(F)C3)nc2)ccc1[N+](=O)[O-],UFQSXRQRJPNHTL-UHFFFAOYSA-N
-rxn:4:185157:225111,COC(=O)c1cc(-c2ccc(OC)c(OCC(C)C)c2F)ccc1CN1CCCC(C(F)(F)F)C1,JGGNOCJOAATGDW-UHFFFAOYSA-N
-rxn:4:185244:226829,Cc1cc(C(F)(F)F)cc(-c2cccc(C(=O)N(CC(C)C)C3CCS(=O)(=O)C3)c2)c1Cl,UIMCSRXVCDPHJH-UHFFFAOYSA-N
-rxn:4:185255:222856,COc1ccccc1C(=O)N(c1ccc(-c2cc(C3CCNCC3)ccc2OC)cc1)C1C=CS(=O)(=O)C1,SBCQZHSEZIDWLQ-UHFFFAOYSA-N
-rxn:4:185255:224842,COc1ccccc1C(=O)N(c1ccc(-c2ccc3c(c2)C(C)(C)CCC3(C)C)cc1)C1C=CS(=O)(=O)C1,OUCKVQQEZZSLLQ-UHFFFAOYSA-N
-rxn:4:185297:223498,CCOc1ccc(C=C2SC(=S)N(c3cccc(-c4ccc(C(=O)N5CCCN(C(=O)OC(C)(C)C)CC5)cc4)c3)C2=O)cc1OC,UTWXGACUZYBNPJ-UHFFFAOYSA-N
-rxn:4:185301:224593,Cc1ccc(-c2ccc(F)c(CN3CCC(C)CC3)c2)cc1OCCCN1CCC(C)CC1,YQMQZNMFZORCRR-UHFFFAOYSA-N
-rxn:4:185304:222468,CCN(C1CCCCC1)S(=O)(=O)c1ccc(-c2ccc3cc(NC(=O)OC(C)(C)C)ccc3c2)c(OC)c1,LIONAOVJSUPNLD-UHFFFAOYSA-N
-rxn:4:185305:226016,CCOc1cc(S(=O)(=O)N2CCCCC2CC)ccc1-c1ccc(OCC(F)(F)F)cc1Cl,JEKGKMZLXIFHBM-UHFFFAOYSA-N
-rxn:4:185325:223497,CC(C)Oc1cccc(-c2ccc(C(C)N3CCC(O[Si](C)(C)C(C)(C)C)CC3)cc2)c1CN1CCCC(C(F)(F)F)C1,JTURBLTZJMSVPB-UHFFFAOYSA-N
-rxn:4:185334:224607,COc1ccc(S(=O)(=O)N2CCSC2c2cc(-c3ccc(C(=O)OCC[Si](C)(C)C)cc3)ccc2OC)cc1,IFDSUOZEPMYKBR-UHFFFAOYSA-N
-rxn:4:185338:224835,COc1ccc(-c2cc(C(F)(F)F)nn2S(=O)(=O)N(C)C)c(C(=O)N2CCC(Oc3cc(C)oc(=O)c3)C2)c1,RDMIEZWMZPZZLB-UHFFFAOYSA-N
-rxn:4:185353:224277,CC(C)(C)OC(=O)n1ccc2c(-c3ccc(CC(=O)N4CCC(S(=O)(=O)C(C)(C)C)C4)cc3)ccnc21,LTVQMAPRFDZURE-UHFFFAOYSA-N
-rxn:4:185356:222495,CC(C)(C)OC(=O)N1CCC(C(=O)c2cc(-c3cccc(NC(=O)OCc4ccccc4)c3F)ccc2F)CC1,RAEHDLDNNKJVMI-UHFFFAOYSA-N
-rxn:4:185356:227014,CC(C)CSc1cccc(-c2ccc(F)c(C(=O)C3CCN(C(=O)OC(C)(C)C)CC3)c2)c1,YFTPJVGEWSFHFG-UHFFFAOYSA-N
-rxn:4:185368:225307,CC(C)(C)c1cc(-c2ccc(C3COC3)c(C(F)(F)F)c2)ccc1OCC(=O)N1CCCCC1,UXZNSYRWBDYWEL-UHFFFAOYSA-N
-rxn:4:185370:224970,CC(CN1C(C)CCCC1C)OC(=O)c1ccc(-c2ccc(S[Si](C)(C)C(C)(C)C)cc2)cc1,FOLMRNVJFUJCNH-UHFFFAOYSA-N
-rxn:4:185374:226303,CCCC(=O)c1ccc(Cl)c(-c2ccc(CC(=O)N3CC(S(=O)(=O)C4CCCCC4)C3)cc2)c1,DWNKSJPBZQEXCM-UHFFFAOYSA-N
-rxn:4:185382:227760,CC(C)(C)OC(=O)N1CCC(c2cc(-c3cc(Cl)ccc3C(F)(F)F)ccc2C(F)(F)F)CC1,YZUJVFMGQYXJEE-UHFFFAOYSA-N
-rxn:4:185406:222929,COc1cc(-c2cnc(Cl)c(N3CCC(O)CC3)c2)cc(C2CCN(C(=O)OC(C)(C)C)CC2)c1,IFZBFDNVHJQWSV-UHFFFAOYSA-N
-rxn:4:185409:224672,CCN1CCN(c2ccc(-c3cc(C4CC4)cc(C4CCN(C(=O)OC(C)(C)C)C4)c3)c(Cl)c2)CC1,SNKKRAIDLLCITE-UHFFFAOYSA-N
-rxn:4:185424:228373,CC(C)(C)OC(=O)N1CCOC(c2ccc(C3CC3)cc2-c2ccc(Cl)c(C#N)c2F)C1,XELIHMIWFVWVJD-UHFFFAOYSA-N
-rxn:4:185425:223830,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(OC)c(S(=O)(=O)N4CCC(Cc5ccccc5)CC4)c3)ccc2C)CC1,XINWSVXGJXUPCF-UHFFFAOYSA-N
-rxn:4:185428:227470,CCCOc1ncc(-c2cc(C(C)(C)C)ccc2OCC(=O)N2CCC(C)CC2)c(C)n1,GCWBEDKROQASTC-UHFFFAOYSA-N
-rxn:4:185432:227464,CCCCSc1ncc(-c2c(C)cc(OC3CCN(C(=O)OC(C)(C)C)CC3)cc2C)cn1,KKPOZZDMPSNRTC-UHFFFAOYSA-N
-rxn:4:185435:225387,CC(C)(C)c1ccc(C(=O)N(c2ccc(-c3cc([N+](=O)[O-])cc(C(F)(F)F)c3F)cc2)C2C=CS(=O)(=O)C2)cc1,BBIIHZOBFODDFF-UHFFFAOYSA-N
-rxn:4:185495:222542,COC(=O)c1cn(C(=O)OC(C)(C)C)c2cc(-c3ccc(C)c(OCCCN4CCNCC4)c3)ccc12,HPWIGQPVBGCRDP-UHFFFAOYSA-N
-rxn:4:185516:223689,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(OCCCN4C(=O)C(=O)c5cccc(C)c54)cc3)ccc2OC)CC1,PABBCPYBBLWZOD-UHFFFAOYSA-N
-rxn:4:185527:223978,COc1ccc(CCC(=O)N2C3C=CCC2CC3)cc1-c1ccc(C(=O)OC(C)(C)C)c(C(F)(F)F)c1,MWSPJVGFMDRPDN-UHFFFAOYSA-N
-rxn:4:185534:224722,COC(=O)C1CN(C(=O)OC(C)(C)C)Cc2ccc(-c3ccnc(N(C)C(=O)OC(C)(C)C)c3)cc21,BCHLASKRFZLUTQ-UHFFFAOYSA-N
-rxn:4:185580:222907,CCN(C(=O)c1cc2cc(-c3ccncc3NC(=O)OC(C)(C)C)cc(OC)c2oc1=O)C1CCCCC1,KIQLYWRWOSKXHK-UHFFFAOYSA-N
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-rxn:4:185644:227004,COC(=O)c1ccc(C2c3c(oc4ccc(-c5ccccc5OCC(C)C)cc4c3=O)C(=O)N2CC2CCCO2)cc1,GHGUWUUSHDJUQU-UHFFFAOYSA-N
-rxn:4:185891:223974,COC(=O)c1ccc(-c2ccc(N3CCC(C)CC3)cc2C(F)(F)F)c(C#N)c1C(F)F,CXQVTZHKORDRFT-UHFFFAOYSA-N
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-rxn:4:186469:223490,Cc1ccc(-c2ccc(SCCc3ccncc3)cc2)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,XOIJZXAUPPCLHN-UHFFFAOYSA-N
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-rxn:4:186608:223559,CCN(CC)S(=O)(=O)c1ccc(F)c(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)c1,USULZPKMYROBJN-UHFFFAOYSA-N
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-rxn:4:186809:223574,CC(C)(C)OC(=O)N1CCN(Cc2cccc(-c3cc(Cl)cc(F)c3OCCN3CCC(F)(F)C3)c2)CC1,GDZDHVBVRJQUCF-UHFFFAOYSA-N
-rxn:4:186820:224164,Cc1cc2cnn(C3CCCCO3)c2cc1-c1cc(OC(F)(F)F)cc(C(=O)N2CCSCC2)c1,CWEZGALQOONUCZ-UHFFFAOYSA-N
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-rxn:4:186939:224256,Cc1ccc(OCC(=O)N2CCCC2)c(-c2ccc(Cl)c(C(=O)N3CCCCC3C)c2)c1,ITAMRYLRCQYDHS-UHFFFAOYSA-N
-rxn:4:186949:224290,O=C(COc1cccc(-c2ccc(Cl)cc2OCCN2CCOCC2)c1)N1CCCCC1,GPQQGPGGDOGQGX-UHFFFAOYSA-N
-rxn:4:186958:223872,CCN(C(=O)c1cccc(-c2ccc(C)cc2OCC(=O)N2CCCC2)c1)C1CCCCC1,MBJREORUKONONW-UHFFFAOYSA-N
-rxn:4:186959:222706,COc1cc(/C=N/S(=O)C(C)(C)C)ccc1-c1cc(C2CCNCC2)ccc1C(F)(F)F,FIOHCPUXAICIEL-WKULSOCRSA-N
-rxn:4:186981:222623,CCC(=O)N(c1ccc(-c2cc(C(C)CC)nc(C3CCNCC3)c2)cc1)C1C=CS(=O)(=O)C1,VSTYRXXQWYMGJR-UHFFFAOYSA-N
-rxn:4:186996:224585,Cc1cc(-c2ccc(C(=O)N3CCC(C)CC3)cc2)ccc1OCC(=O)N1CCC(F)(F)C1,QSCSRBKPVWBKLD-UHFFFAOYSA-N
-rxn:4:187076:223978,COc1cc(-c2ccc(C(=O)OC(C)(C)C)c(C(F)(F)F)c2)cc(OC)c1C(=O)N1CCCC1,IXVYUSRYMBEORW-UHFFFAOYSA-N
-rxn:4:187089:223947,CCN(C(=O)OC(C)(C)C)c1ccc(-c2cc(OC)c(C(=O)N3CCC(F)(F)C3)c(OC)c2)c(F)c1,ZEBSDRQQWVKHKY-UHFFFAOYSA-N
-rxn:4:187091:223691,O=C(c1ccc(-c2cc(OCc3cccnc3)c(C(F)(F)F)cc2Cl)cc1)C1CCN(C(=O)C(F)(F)F)CC1,IJVIWLXUPMBKGT-UHFFFAOYSA-N
-rxn:4:187094:226530,CCOC(=O)c1cccc(-c2ccc(CN3CCC(F)(F)CC3)c(OC(F)(F)F)c2)c1F,JGWCQFJZZKLKDH-UHFFFAOYSA-N
-rxn:4:187116:224482,Cc1cc(-c2cccc(OCCCN3CCCC3)c2)c(OCC2CCOCC2)c([N+](=O)[O-])c1,DSEIKIFSENTDQE-UHFFFAOYSA-N
-rxn:4:187152:223176,CS(=O)(=O)NCc1cccc(-c2cc(F)ccc2CC(=O)N2CCC(C(F)(F)F)CC2)c1,DHWMAXGDMFFNSZ-UHFFFAOYSA-N
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-rxn:4:187205:222886,CC(C)(C)OC(=O)N1CC(c2cc(Cl)ccc2-c2ccc(N3CCNCC3)cc2C#N)C1,GXCSQYLEYSVFDF-UHFFFAOYSA-N
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-rxn:4:187214:222919,CC(C)(C)NS(=O)(=O)c1ccc(-c2cc(F)cc(C3CN(C(=O)OC(C)(C)C)C3)c2)cc1,GJIWBFUKBVUNNG-UHFFFAOYSA-N
-rxn:4:187286:224392,Cc1ccc(-c2cc(S(=O)(=O)N3CCOCC3)ccc2C)c(C(=O)N(C(C)C)C(C)C)c1,FCKHOLLUSMMEAD-UHFFFAOYSA-N
-rxn:4:187311:224488,CC1CCCN(CCOc2c(F)cc(Cl)cc2-c2ccc(C(=O)N(C(C)C)C(C)C)cc2)C1,DZKAPLKWWCZUGC-UHFFFAOYSA-N
-rxn:4:187318:224794,CCN(CC)S(=O)(=O)c1ccc(F)c(-c2ccc(C(=O)OC)cc2CN2CCOC(C)C2)c1,KJOWMLIQVOWGOR-UHFFFAOYSA-N
-rxn:4:187323:225334,CC1CCN(Cc2ccc(-c3ccc(F)cc3COCC(F)(F)F)cc2OC(F)(F)F)CC1,NMMFGYALCDOJAU-UHFFFAOYSA-N
-rxn:4:187324:225499,COc1c(Cl)cc(C(=O)N2CCC(OC)CC2)cc1-c1ccc(C2CCCCC2)cc1F,LCDZZQYDTUAGPY-UHFFFAOYSA-N
-rxn:4:187326:225367,COc1cc(-c2cnc(N3CCC(F)(F)CC3)nc2)cc(OC)c1C(=O)N1CCC(F)CC1,GHZFCNHYCUFEEI-UHFFFAOYSA-N
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-rxn:4:187376:223743,Cc1ccc(-c2ccc(S(=O)(=O)CC(=O)N3CCCC(C)C3)cc2)cc1OCCCN1CCC(C)CC1,JBYZASWUJDOZOO-UHFFFAOYSA-N
-rxn:4:187440:224168,CCN(C(=O)OC(C)(C)C)c1cccc(-c2coc(C3CCCN(C(=O)OC(C)(C)C)C3)c2)c1,QJFFNIASEDZEKZ-UHFFFAOYSA-N
-rxn:4:187447:226024,O=C(CCc1ccccc1-c1cccc(OCC(F)(F)F)c1F)N1CCC2(CC1)CC2(F)F,WHCALNLVIGDYOQ-UHFFFAOYSA-N
-rxn:4:187476:224824,CC(C)CN1CCC(Oc2ccc(-c3cc(C4OCCO4)cc(C(F)(F)F)c3)cc2)CC1,WGSMGKNSFDZXOZ-UHFFFAOYSA-N
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-rxn:4:187498:222823,COc1cc(-c2ccc(S(=O)(=O)NC(C)(C)C)cc2F)cc(OC)c1C(=O)N1CCC(C)CC1,JGXADGRUUQYQEM-UHFFFAOYSA-N
-rxn:4:187501:223698,CC(C)Oc1cccc(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCCC3)c2)c1CN1CCCC(F)(F)C1,JHIZZRBMDULJNG-UHFFFAOYSA-N
-rxn:4:187501:225561,CC(C)Oc1cccc(-c2ccccc2C(=O)OC(C)(C)C)c1CN1CCCC(F)(F)C1,TYQWUYYUAKMIAD-UHFFFAOYSA-N
-rxn:4:187503:226497,CCN(CC)c1cc(-c2ccc(OCCN3CCC4(CC3)OCCO4)c(Cl)c2)cnc1Cl,NLVFAPQVQBGFAA-UHFFFAOYSA-N
-rxn:4:187506:222445,COc1cccc(CNC(=O)c2cccc(-c3ccc(C4CN(C(=O)OC(C)(C)C)CCO4)cc3F)c2F)c1,XSLDPJKNHQSHJQ-UHFFFAOYSA-N
-rxn:4:187533:224766,Cc1ccc(C(=O)N(c2ccc(-c3cc(N4CCCC4)cc(C(F)(F)F)c3)cc2)C2C=CS(=O)(=O)C2)cc1,IYASFKKXXSQFJC-UHFFFAOYSA-N
-rxn:4:187543:224665,COc1cc(-c2ccc(F)cc2CN2CCN(C)CC2)cc(OC)c1CN1CCCC(C)C1,SYBYUSHHVNJYKR-UHFFFAOYSA-N
-rxn:4:187553:222452,CCOc1cc(-c2cc(F)c(F)c(NC(=O)OCc3ccccc3)c2)ccc1S(=O)(=O)N1CC(C)OC(C)C1,YTYOXMSHACUKQQ-UHFFFAOYSA-N
-rxn:4:187554:224368,CN(C(=O)OC(C)(C)C)c1cc(-c2cccc(C(=O)N3CCC(S(=O)(=O)C(C)(C)C)C3)c2)cnc1Cl,MUADHEOWQPLUDK-UHFFFAOYSA-N
-rxn:4:187560:223644,CCOC(=O)C1CCCN(C(=O)c2ccc(-c3ccc(C4CCCN(C(=O)OC(C)(C)C)C4=O)cc3)cc2)C1,DGOFAVAKDDLOJK-UHFFFAOYSA-N
-rxn:4:187561:227311,CCC(C)c1cc(F)c(-c2ccc(Cl)c(C(=O)N3CCC(S(=O)(=O)C(C)(C)C)C3)c2)cn1,DEROYXXGVKBDRT-UHFFFAOYSA-N
-rxn:4:187565:222657,COc1ccc(-c2ccc(F)c(C(=O)NC3CCCCC3)c2)cc1C=C1SC(=O)N(Cc2ccc(C)cc2)C1=O,NYZZUDNDGHNATM-UHFFFAOYSA-N
-rxn:4:187569:222623,CCC(C)c1cc(-c2cc(C)ccc2OCC(=O)N2C(C)CCCC2C)cc(C2CCNCC2)n1,CRGLLKZILHFTJE-UHFFFAOYSA-N
-rxn:4:187586:224777,CC(C)(C)OC(=O)N1CCCC(c2ccc(-c3cnc(C4CCCC4)c(C(F)(F)F)c3)cc2Cl)C1,WHPBQRNMFSGVEW-UHFFFAOYSA-N
-rxn:4:187628:222890,CCOc1cc(S(=O)(=O)N2CC(C)CC(C)C2)ccc1-c1cc(OC)nc(C2CCCNC2)c1,RNVXOOXUCMKYFK-UHFFFAOYSA-N
-rxn:4:187672:224796,CC(C)(C)COS(=O)(=O)c1cncc(-c2cc(CN3CCCC(C(F)(F)F)C3)cc(C(C)(C)C)c2)c1,GRTHVAAJTATMQV-UHFFFAOYSA-N
-rxn:4:187681:225387,Cc1cc(-c2cc([N+](=O)[O-])cc(C(F)(F)F)c2F)cc(C2CCN(C(=O)OC(C)(C)C)CC2C)c1,NASORKNVKOJMOP-UHFFFAOYSA-N
-rxn:4:187687:223591,CC(C)(C)OC(=O)N1CCN(c2ccc(F)c(-c3ccc(C(=O)c4ccccc4CN4CCC5(CC4)OCCO5)cc3)c2)CC1,ANSUHGCUFBJYDC-UHFFFAOYSA-N
-rxn:4:187750:224129,CCOC(=O)c1cnc2c(C(F)(F)F)cc(-c3cccc(C(=O)N(C)C4CCCCC4)c3)cc2c1Cl,QKCHHCVYMSVSCQ-UHFFFAOYSA-N
-rxn:4:187810:223998,COC(=O)c1cc(-c2ccc(S(=O)(=O)N3CCC(C)CC3)c(F)c2)cc2c1CCN2CC1CC1,IJEZGALYQPAOLM-UHFFFAOYSA-N
-rxn:4:187897:222537,CCOC(=O)c1cn(C(C)C)c2c(C)c(-c3cc(C4CCCC4)nc(C4CCCNC4)c3)ccc2c1=O,JXAWGYHKLFFLAE-UHFFFAOYSA-N
-rxn:4:187968:222514,COc1ccc(-c2ccc3c(ccn3[Si](C(C)C)(C(C)C)C(C)C)c2)cc1S(=O)(=O)NC1CCCCC1,WIVKQBTXJJPNQH-UHFFFAOYSA-N
-rxn:4:187973:222886,N#Cc1cc(N2CCNCC2)ccc1-c1ccccc1C(=O)N1C2CCC1CC(S(=O)(=O)c1ccccc1)C2,RPPZGCYBQPULPJ-UHFFFAOYSA-N
-rxn:4:187973:225805,CC(c1ccc(-c2ccccc2C(=O)N2C3CCC2CC(S(=O)(=O)c2ccccc2)C3)s1)N1CCOCC1,IZWLHPBIHCLAJN-UHFFFAOYSA-N
-rxn:4:188170:223670,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2cc([N+](=O)[O-])cc(OC(F)F)c2F)CC1,QJNSJOWLCBAOPM-UHFFFAOYSA-N
-rxn:4:188320:223507,COC(=O)Cc1cncc(-c2ccccc2S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1,ZSTKDVWJGHQNKN-UHFFFAOYSA-N
-rxn:4:188439:223589,CSc1c(C#N)ccc(-c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2C)c1C(F)F,XEWORPCIIHUEAG-UHFFFAOYSA-N
-rxn:4:188580:223559,COC(=O)c1nc(OC)ccc1-c1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)OC(C)(C)C,QHMCTQNFWUTVBO-UHFFFAOYSA-N
-rxn:4:188995:223640,CCOC12C(=O)c3cc(F)cc(-c4ccc(C(=O)N5CC(OC)C5)o4)c3C(=O)C1C2(C)C,SHVLUWISVDTGKL-UHFFFAOYSA-N
-rxn:4:189294:223504,COc1ccc(C(C)(C)C#N)cc1-c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)c([N+](=O)[O-])c1,MFTQABDLWDXKRX-UHFFFAOYSA-N
-rxn:4:189384:222545,CC(C)(C)OC(=O)NC(C)(C)c1ccc(-c2cc(C(=O)N3CCC3)cc(C(F)(F)F)c2)cc1,ATSCYNNRJRBZOX-UHFFFAOYSA-N
-rxn:4:189389:222695,Cc1ccc(-c2ccc(C(=O)ON=C3C=CC(=O)C=C3)cc2)cc1S(=O)(=O)NC1CCCC1,GGCLEBLNSNQPIC-UHFFFAOYSA-N
-rxn:4:189428:223998,CSC1CCN(C(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCC(C)CC4)c(F)c3)o2)C1,IVABYASVOPXLSI-UHFFFAOYSA-N
-rxn:4:189507:224376,CN1CCN(S(=O)(=O)c2cccc(-c3cc(C(F)(F)F)cc(S(=O)(=O)N4CCC4)c3)c2)CC1,ZYSNZKOMWMAEPJ-UHFFFAOYSA-N
-rxn:4:189552:223894,COC(=O)c1cnc(C2CCOC2)cc1-c1cccc(OCCCN2CCN(C)CC2)c1,OHCRUQZOYOAXNX-UHFFFAOYSA-N
-rxn:4:189578:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3cc(OC(F)(F)F)cc(N4CCCC4)c3)cc2)CC1,JSFSIIGUZQSNLY-HZCBDIJESA-N
-rxn:4:189606:223536,CC(C)(C)OC(=O)N1CCN(c2cc(-c3ccc(Oc4ccc(S(N)(=O)=O)cc4)cc3)cc(F)c2F)CC1,KRIWZHNDQCVYAI-UHFFFAOYSA-N
-rxn:4:189790:223815,COC(=O)c1cnc(C2CCCC2)cc1-c1ccc(Cl)c(CN2CCC3(CC2)OCCO3)c1,OWHCPWWYBTYJAW-UHFFFAOYSA-N
-rxn:4:189836:222823,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccoc2CN2CCC(C(F)(F)F)CC2)c(F)c1,XOHDDEYJTVAWRB-UHFFFAOYSA-N
-rxn:4:189935:222645,COC(=O)c1cc(-c2cccc(OCCN3CCC(O)CC3)c2)ccc1N1CCOCC1,HYVAWPCFCBZYII-UHFFFAOYSA-N
-rxn:4:189953:223520,CC(c1ccc(-c2cc(CN3CCOCC3)cc(C(F)(F)F)c2)cc1)N1CCN(C(=O)OC(C)(C)C)CC1,BMXHEEZXGKSKCJ-UHFFFAOYSA-N
-rxn:4:189959:223490,COC(=O)c1cc(F)c(N2CCOCC2)cc1-c1ccc(C)c(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1,OCIZSTJGDCJALE-UHFFFAOYSA-N
-rxn:4:189973:222622,CCC(C)c1cc(-c2cc(C(F)(F)F)cc(S(=O)(=O)N3CCOCC3)c2)cc(C2CCCNC2)n1,AHVPNFYNBQVABA-UHFFFAOYSA-N
-rxn:4:190033:224780,C#Cc1ccc(-c2ccc(C3CCOC3)c(C(F)(F)F)c2)cc1N1CCCC(C(F)(F)F)C1,IJEXENHGBFRMKS-UHFFFAOYSA-N
-rxn:4:190035:222514,COc1ccc(-c2cc(CC(=O)N3CCC(F)(F)CC3)ccc2Cl)cc1S(=O)(=O)NC1CCCCC1,PLODZIYPLQUHTQ-UHFFFAOYSA-N
-rxn:4:190075:223669,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc(C(=O)N4CCCC(C(F)(F)F)C4)cc3F)cn2)CC1,IFHLXIJBGGEKJX-UHFFFAOYSA-N
-rxn:4:190107:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1ccc(CS(=O)(=O)N2CCCCC2)cc1,GYKCGJRCEVDRPE-UHFFFAOYSA-N
-rxn:4:190109:222684,COC(=O)c1ccc(N2CCCCC2)c(-c2ccc(OCCN3CCNCC3)c(Cl)c2)c1,AWNSMPKRQIXTTD-UHFFFAOYSA-N
-rxn:4:190111:224374,CCS(=O)(=O)N1CCCC1c1ccc(-c2cc(S(=O)(=O)N3CCCC3)ccc2OC)cc1,ISZHVPCYKQWEFI-UHFFFAOYSA-N
-rxn:4:190116:223699,CCc1cc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2C(F)(F)F)ccc1S(=O)(=O)N1CCCC1,ZXYPEJWNVDPRSN-UHFFFAOYSA-N
-rxn:4:190162:223699,COc1c(Cl)cc(C(=O)N2CCC(F)(F)CC2)cc1-c1ccc(S(=O)(=O)N2CCOCC2)cc1C(F)(F)F,OWBCLLKZWYPFNT-UHFFFAOYSA-N
-rxn:4:190166:222612,O=S(=O)(c1ccc(-c2cc(S(=O)(=O)N3CCC(O)CC3)ccc2F)c(C(F)(F)F)c1)N1CCCCC1,FITHXNJOARCNGL-UHFFFAOYSA-N
-rxn:4:190216:223660,COc1ccc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)s2)cc1S(=O)(=O)N1CCCCC1,LPZURQUREBFFHA-UHFFFAOYSA-N
-rxn:4:190227:222817,COc1ccc(S(=O)(=O)NC2CC2)cc1-c1cc(S(C)(=O)=O)ccc1CN1CCOCC1,FPKLQVCHCDSPKI-UHFFFAOYSA-N
-rxn:4:190230:223934,CC1CCN(c2cc(OC(F)(F)F)cc(-c3cc4ccc(F)cc4n3C(=O)OC(C)(C)C)c2)CC1,BGHZVRCSZNUKRM-UHFFFAOYSA-N
-rxn:4:190277:222935,Cc1cc(CC(=O)N2CCCC(F)(F)C2)ccc1-c1ccc(CNS(=O)(=O)N(C)C)cc1,GZUDSPIIZCZXPW-UHFFFAOYSA-N
-rxn:4:190301:222545,Cc1cc(C(C)(C)O[Si](C)(C)C)ncc1-c1ccc(C(C)(C)NC(=O)OC(C)(C)C)cc1,ATIHRIRXWBUJGN-UHFFFAOYSA-N
-rxn:4:190330:224188,CC(C)N(C(=O)c1ccc(-c2ccc(C3CCCN3S(=O)(=O)C(C)C)cc2)c(Cl)c1)C(C)C,FQNGENFURXUCSF-UHFFFAOYSA-N
-rxn:4:190342:224488,CC(c1ccccc1-c1ccc(C(=O)N(C(C)C)C(C)C)cc1)N1CCCC(C(F)(F)F)C1,VWTCOIRNELHDDD-UHFFFAOYSA-N
-rxn:4:190354:223691,Cc1cc(-c2cc(OCc3cccnc3)c(C(F)(F)F)cc2Cl)cc(S(=O)(=O)N2CCC(C(F)(F)F)CC2)c1,QHYJZXLWPBFTAA-UHFFFAOYSA-N
-rxn:4:190355:224420,Cc1cc2c(cc1-c1cc(C(F)(F)F)cc(S(=O)(=O)N3CCC(C)CC3)c1)C(C)(C)CCC2(C)C,ABUNEMMJMLRPAP-UHFFFAOYSA-N
-rxn:4:190365:224376,COC1CCN(Cc2ccc(C)cc2-c2cccc(S(=O)(=O)N3CCN(C)CC3)c2)CC1,BSLCSMYFAGRHPQ-UHFFFAOYSA-N
-rxn:4:190365:224377,COC1CCN(Cc2ccc(C)cc2-c2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)CC1,VZTOJUNNJOVPLK-UHFFFAOYSA-N
-rxn:4:190372:224376,COC1CCN(Cc2cc(C)cc(-c3cccc(S(=O)(=O)N4CCN(C)CC4)c3)c2)CC1,BYHCMYPMKLFPMN-UHFFFAOYSA-N
-rxn:4:190372:224377,COC1CCN(Cc2cc(C)cc(-c3ccc(S(=O)(=O)N4CCN(C)CC4)cc3)c2)CC1,XUMQLUVHFXSZLS-UHFFFAOYSA-N
-rxn:4:190381:223873,COC1CCCN(S(=O)(=O)c2cc(C)cc(-c3ccccc3CCC(=O)N3CCC(C)CC3)c2)C1,ZMVIEQYQQQYRDJ-UHFFFAOYSA-N
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-rxn:4:201975:224587,CC1CCN(Cc2ccc(-c3ccc(S(=O)(=O)N4CCN(C(=O)c5ccco5)CC4)cc3)cc2F)CC1,XGNGYLCSTLSAPT-UHFFFAOYSA-N
-rxn:4:201975:224742,COc1cc(OC)c(C2OCCO2)cc1-c1ccc(S(=O)(=O)N2CCN(C(=O)c3ccco3)CC2)cc1,YBBZPKAKIIUCGD-UHFFFAOYSA-N
-rxn:4:201995:225977,CC(C)(C)OC(=O)N1CCOC(c2cc(-c3cc(Cl)cnc3N3CCOCC3)ccn2)C1,MMUSMEPOIRJECW-UHFFFAOYSA-N
-rxn:4:202006:222958,CCOc1cc(-c2ccc(C)c(C3CCNCC3)c2)ccc1S(=O)(=O)N1CCN(C)CC1,RLLSYCALQSWKFK-UHFFFAOYSA-N
-rxn:4:202011:225976,CC(C)(C)OC(=O)N1CCOC(c2ccc(-c3ccnc(N4CCOCC4)c3F)cn2)C1,MJCMDKYJTVTQBL-UHFFFAOYSA-N
-rxn:4:202018:223578,CC(C)(C)OC(=O)c1nc(N2CCOCC2)ccc1-c1cnc(N2CCCCC2)nc1OCc1ccccc1,DUUIERLLZMUEHE-UHFFFAOYSA-N
-rxn:4:202024:223606,O=[N+]([O-])[C@H]1CN(Cc2ccccc2)C[C@@H]1c1cccc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c(F)c2)c1,NUDNRBGSMMZZFO-IAPPQJPRSA-N
-rxn:4:202066:222581,CC(C)NS(=O)(=O)c1ccc(-c2cc(CC(=O)N3CCN(C(C)C)CC3)ccc2Cl)c2ccccc12,MTDCCAMQILBAMB-UHFFFAOYSA-N
-rxn:4:202075:222967,CC(C)CNC(=O)c1cccc(-c2ccc(C3(C)CCN(C(=O)OC(C)(C)C)C3=O)nc2)c1,WMKGPMHNYHWISP-UHFFFAOYSA-N
-rxn:4:202086:223997,Cc1cc(S(=O)(=O)N2CCC(Oc3ccncc3-c3cc(C)c(S(=O)(=O)N4CCOCC4)c(C)c3)C2)ccc1F,WGBYACCKBGEMEL-UHFFFAOYSA-N
-rxn:4:202101:224712,CC(=O)OC(OC(C)=O)c1ccc(-c2csc(C3CCN(C(=O)OC(C)(C)C)CC3C)n2)cc1,FMOQRFRENMWODW-UHFFFAOYSA-N
-rxn:4:202103:225232,CC1CCN(c2cc(-c3ccncc3C3CCN(C(=O)OC(C)(C)C)CC3)cnc2Cl)CC1,IKDSLMGQIIZAJY-UHFFFAOYSA-N
-rxn:4:202110:222581,CC(C)NS(=O)(=O)c1ccc(-c2ccccc2N2CCN(C(=O)OC(C)(C)C)CC2)c2ccccc12,GXJOTVUILWLNAA-UHFFFAOYSA-N
-rxn:4:202119:224076,COC(=O)c1cc(-c2ccc3c(ccn3[Si](C)(C)C(C)(C)C)c2)cc(N2CCN(C(C)C)CC2)c1,HJADQSSNNFLPHH-UHFFFAOYSA-N
-rxn:4:202126:224328,Cc1nc(C2CCN(C(=O)OC(C)(C)C)C2)ccc1-c1cccc(S(=O)(=O)N2CCCCC2C)c1,LHLFGDNEGODRTH-UHFFFAOYSA-N
-rxn:4:202156:223540,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1ccc(S(=O)(=O)N2CCN(C(=O)c3ccccc3)CC2)cc1,VZFGIEGSLBWRRY-UHFFFAOYSA-N
-rxn:4:202168:223045,CC(C)NC(=O)c1ccc(F)c(-c2ccc(CN3CCOC(C(=O)N4CCCC4)C3)cc2)c1,PTFPTJYUKZEQCA-UHFFFAOYSA-N
-rxn:4:202195:223661,O=C(OCc1ccccc1)c1cc(-c2cccnc2OC2CCN(C(=O)C3CC=CCC3)CC2)cc([N+](=O)[O-])c1,FBHHMOIXDSGWLG-UHFFFAOYSA-N
-rxn:4:202229:224760,Cc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccc(S(=O)(=O)N2CCCCC2)cc1,WFIIDSFLUDXQQN-UHFFFAOYSA-N
-rxn:4:202258:223828,CCN1CCN(c2cc(-c3ccc(-c4nc(S(=O)(=O)c5ccccc5)c(N5CCOCC5)o4)cc3)cc(C(F)(F)F)c2)CC1,CHMMLWYSUBPBAP-UHFFFAOYSA-N
-rxn:4:202275:226236,CCCCOc1ncc(C)cc1-c1ccc(Cl)c(C(=O)N2CCC(N3CCC(OC)C3)CC2)c1,BLONTTYDLQQVEW-UHFFFAOYSA-N
-rxn:4:202310:224141,Cc1ccc(OCc2ccccc2)c(-c2ccc(S(=O)(=O)N3CCCSCC3CN3CCOCC3)cc2)c1F,VBYGBDXQYUSSTD-UHFFFAOYSA-N
-rxn:4:202310:224885,CC1CCN(Cc2ccccc2-c2ccc(S(=O)(=O)N3CCCSCC3CN3CCOCC3)cc2)CC1,SBKLVKCZVLFMBY-UHFFFAOYSA-N
-rxn:4:202310:228884,N#Cc1cc(-c2ccc(S(=O)(=O)N3CCCSCC3CN3CCOCC3)cc2)cnc1Cl,PJPZQZGYECIALB-UHFFFAOYSA-N
-rxn:4:202312:225056,CC1CCCN(c2ccc(-c3cccc(CN4CCC(C(=O)N5CCC(F)(F)CC5)CC4)c3)c(F)c2)C1,GXVYRAMFVNIHPG-UHFFFAOYSA-N
-rxn:4:202334:225345,COc1ccc(S(=O)(=O)N(C)C)cc1-c1ccc(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)c(OC)c1,KTUQEMWKAVHTQG-UHFFFAOYSA-N
-rxn:4:202344:224330,COc1cc(S(=O)(=O)N2CCN(c3c(C)cc(C)cc3C)CC2)ccc1-c1ccc(Cl)c(C(=O)N2CCC(=O)CC2)c1,JOBFLEHDLMBGCO-UHFFFAOYSA-N
-rxn:4:202346:226539,CCOC(=O)c1ccc(Cl)cc1-c1ccc(C2=NC3(CCCCCC3)N(C(=O)c3ccc(OC)cc3)C2=S)cc1,BTQTZKVPLQWUID-UHFFFAOYSA-N
-rxn:4:202347:223239,Cc1ccc(S(=O)(=O)N2CCOC23CCN(C(=O)c2cccc(-c4cncc(C5CCCN5)c4)c2)CC3)cc1,VHRLUMXBXIPSFT-UHFFFAOYSA-N
-rxn:4:202355:223170,CCc1ccccc1N1CCN(S(=O)(=O)c2c(C)cc(C)c(-c3cnc(C4CCCNC4)nc3)c2C)CC1,LJNULPSDJNPXGM-UHFFFAOYSA-N
-rxn:4:202387:223526,CCOC(=O)c1c(C(F)(F)F)[nH]c2nc(-c3ccc(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)cc3)ccc12,XMWBJSIOWIJQGZ-UHFFFAOYSA-N
-rxn:4:202521:224959,CC(C)(C)OC(=O)N1CCc2c(-c3ccc(OCC4CCCCO4)cc3)ccc([N+](=O)[O-])c2C1,IUJBRZSMBRVUFG-UHFFFAOYSA-N
-rxn:4:202527:224279,COCC(=O)N=C1SC2CS(=O)(=O)CC2N1c1cccc(-c2ccc3c(c2)ncn3C(=O)OC(C)(C)C)c1,AUUROAZXBGUHIR-UHFFFAOYSA-N
-rxn:4:202584:223520,CC(c1ccc(-c2ccc(-n3c(SCc4cccc(F)c4)nc4c(c3=O)SCC4)cc2)cc1)N1CCN(C(=O)OC(C)(C)C)CC1,BLWCPPCBDVUWAM-UHFFFAOYSA-N
-rxn:4:202606:223104,CCOC(=O)C1=C(C)N=C2SCCC(=O)N2C1c1ccccc1-c1ccc(NC(=O)C(F)(F)F)cc1,IDTJCGYPCMYRQY-UHFFFAOYSA-N
-rxn:4:202656:223932,CC(C)(C)OC(=O)N1CCN(c2cccc3sc(-c4cc5c(Cl)cccc5n4C(=O)OC(C)(C)C)cc23)CC1,HMXBCSIRNIIGKO-UHFFFAOYSA-N
-rxn:4:202658:222836,CC(C)(C)CC(=O)Nc1ccc(-c2ccc3cncc(C4CCN(C(=O)OC(C)(C)C)C4)c3c2)cc1,MLEDNYLVWXFDJD-UHFFFAOYSA-N
-rxn:4:202674:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3cnc4c(ccn4[Si](C(C)C)(C(C)C)C(C)C)c3)cc21,TUJWZAQARCJECG-UHFFFAOYSA-N
-rxn:4:202674:223886,CC(C)[Si](C(C)C)(C(C)C)n1ccc2cc(-c3cccc4c3CCN(C(=O)OC(C)(C)C)C4)cnc21,MWSOSQOWZBIEAK-UHFFFAOYSA-N
-rxn:4:202676:222715,CC(C)[Si](C(C)C)(C(C)C)n1ccc2ncc(-c3cc(Cl)c(F)c(NC(=O)OC(C)(C)C)c3)cc21,FJCTUVKBQDQGNT-UHFFFAOYSA-N
-rxn:4:202685:226843,O=C(CCn1ccc2cc(-c3ccc(C(=O)C(F)(F)F)nc3)ccc21)N1CCC2(CC1)OCCO2,KNJBAFGJGYYSDX-UHFFFAOYSA-N
-rxn:4:202687:222604,COc1ccc(-c2ccc(CC(=O)N3CC(N4CCc5ccccc5C4)C3)cc2)cc1S(=O)(=O)NC1CCCC1,NJEQAQYHRLEOBL-UHFFFAOYSA-N
-rxn:4:202690:223958,CCN1CCN(C(=O)c2ccc(-c3ccc4c(c3)CN(CCc3ccc(S(N)(=O)=O)cc3)C(=O)C(C)O4)cc2F)CC1,ZGCFYLPPAVITKX-UHFFFAOYSA-N
-rxn:4:202694:223255,CCN1C(=O)C(=C2SC(=S)N(CCc3ccccc3)C2=O)c2cc(-c3cccc(C(=O)NOC)c3)ccc21,MJVQMYMTTIDBQS-UHFFFAOYSA-N
-rxn:4:202720:224128,Cc1ccc2ncc(C(=O)N3CCCC3)c(S(=O)(=O)c3ccc(-c4ccc(C(=O)N(C)C5CCCCC5)cc4)cc3)c2c1,BBVFPHRAOPOQGW-UHFFFAOYSA-N
-rxn:4:202726:224552,CC(C)(C)OC(=O)N1CCC(N2CCc3cc(-c4cc(F)cc(COC5CCCCC5)c4)ccc32)CC1,TXSMGTBOPBMIIQ-UHFFFAOYSA-N
-rxn:4:202727:225711,COC(COc1ccc(-c2ccc(CC(=O)N3CCC(N4CCc5sccc5C4)CC3)cc2)cc1)OC,MRMLNIZNWRTJRU-UHFFFAOYSA-N
-rxn:4:202749:224736,CC(C)COc1cc(C(F)(F)F)ccc1-c1ccc(S(=O)(=O)c2c(C(=O)N3CCC(C)CC3)cnc3ccccc23)cc1,HGFRXYOBBSXEOD-UHFFFAOYSA-N
-rxn:4:202752:224964,O=C1C2ON(c3ccccc3)C(C=Cc3ccccc3)C2C(=O)N1c1ccc(-c2ccc(COC3CCOCC3)cc2)cc1,TULALUYOGKTVOM-UHFFFAOYSA-N
-rxn:4:202796:225357,CCOc1cc(-c2cccc(N3CCn4c(cc5c4CC(C)(C)C5)C3=O)c2COC(C)=O)c(F)c(C(F)(F)F)c1,YJELMBAEBAKIGZ-UHFFFAOYSA-N
-rxn:4:203287:223598,CC(=O)OC(C)(C)c1ncc(-c2ccc(OCCN3CCC4(CC3)OCCO4)c(F)c2)cn1,QRESQEJCLFYBGW-UHFFFAOYSA-N
-rxn:4:203465:223785,CCN1CCN(CCOc2ccc(-c3ccc(OC4CCOCC4)c(C#N)n3)cc2Cl)CC1,HYYWDLVXNCIUEB-UHFFFAOYSA-N
-rxn:4:203465:223947,CCN(C(=O)OC(C)(C)C)c1ccc(-c2ccc(OC3CCOCC3)c(C#N)n2)c(F)c1,UWRCTZMZKYFYNZ-UHFFFAOYSA-N
-rxn:4:203521:224155,CN1CCN(c2cc(-c3cc(C(=O)N4CCCC4)cc([N+](=O)[O-])c3)cc(C3CC3)c2)CC1,TUISIQAHNUCZRX-UHFFFAOYSA-N
-rxn:4:203560:222604,COc1ccc(-c2ccc([N+](=O)[O-])cc2CN2CCCC2)cc1S(=O)(=O)NC1CCCC1,WFCJMEOKKUIVRC-UHFFFAOYSA-N
-rxn:4:203617:224732,CC(C)(C)COS(=O)(=O)c1ccc(-c2cc(C#N)c(C(F)(F)F)cc2N2CCOCC2)cc1,DTOQFJWYUXUPFK-UHFFFAOYSA-N
-rxn:4:203630:223712,CCCc1nc(N2CCOCC2)sc1-c1ccc(OC)c(C23CC4CC(CC(C4)C2)C3)c1,KZZDDLAYLFEBRN-UHFFFAOYSA-N
-rxn:4:203635:222721,O=[N+]([O-])c1ccc(-c2cc(C3CCNCC3)nc(C(F)(F)F)c2)c(CN2CCOCC2)c1,AABNAXDWPCVICO-UHFFFAOYSA-N
-rxn:4:203638:224015,Cc1cc(F)c(-c2ccc(S(=O)(=O)NN3CCOCC3)cc2)cc1S(=O)(=O)N1CCOCC1,YPAMWNAPRIWXNL-UHFFFAOYSA-N
-rxn:4:203652:222607,COc1cc(N2CCC(F)(F)C2)c(-c2ccc(NC3CCN(S(C)(=O)=O)CC3)cc2)cc1[N+](=O)[O-],ZMPLCTZEMLKFRO-UHFFFAOYSA-N
-rxn:4:203677:222821,CC1=C(C#N)CCC(=O)N1Cc1ccc(-c2ccc(F)c(S(=O)(=O)NC(C)(C)C)c2)cc1,VRTAALDMUODPFO-UHFFFAOYSA-N
-rxn:4:203702:224745,CC(C)(C)OC(=O)c1cc(-c2cnc(C(=O)N3CCCC(C(F)(F)F)C3)c(Cl)c2)c(F)cc1Cl,TVJUKPJYLIYVOW-UHFFFAOYSA-N
-rxn:4:203742:222440,O=[N+]([O-])c1ccc(-c2ccc(S(=O)(=O)NCc3ccco3)cc2C(F)(F)F)c(CN2CCC(F)(F)CC2)c1,DLAKNNOUZJIGIF-UHFFFAOYSA-N
-rxn:4:203788:223534,COc1cc(-c2cc(C)nc(S(C)(=O)=O)n2)c(Cl)cc1-c1cc(OC2CCN(C(=O)OC(C)(C)C)CC2)ncc1F,MTNXUCVNXRBCRJ-UHFFFAOYSA-N
-rxn:4:203816:224486,CCN1CCN(C(=O)c2cccc(-c3cccc(C(=O)N(C(C)C)C(C)C)c3)c2Cl)CC1,KFTVLPMLLPRIBU-UHFFFAOYSA-N
-rxn:4:203892:222699,O=C(c1ccccc1-c1ccc(C2CCCNC2)c(C(F)(F)F)c1)N1CC(N2CCCC2)C1,VKDKQNBKWSYHPU-UHFFFAOYSA-N
-rxn:4:203921:222615,CC(C)Cc1cc(-c2cccnc2OC2CCC(N(C)C)CC2)cc(C2CCNCC2)c1,UNOQZHIIWSGGFY-UHFFFAOYSA-N
-rxn:4:203964:223994,CC(=O)N(C)C1CCN(c2cccc(-c3cc(S(=O)(=O)N4CCN(C)CC4)ccc3C)c2)CC1,ZEFLQYOIYWDULG-UHFFFAOYSA-N
-rxn:4:203991:222465,CC(C)N1CCN(Cc2cccc(-c3cc(C4CCCCC4)nc(C4CCCNC4)c3)c2)CC1,XRQVRFXSUQIXDE-UHFFFAOYSA-N
-rxn:4:204002:223969,CCN1CCN(C(C)c2ccccc2-c2cc(C(F)(F)F)ccc2N2CCC(C)CC2)CC1,BOTRROVRAGFUPI-UHFFFAOYSA-N
-rxn:4:204018:225195,CC1CN(Cc2ccc(-c3ccc(F)c(OC4CCCCO4)c3)cc2)CCN1S(C)(=O)=O,CAHFEEMFTOQOIG-UHFFFAOYSA-N
-rxn:4:204018:225267,CCCOc1ccc(-c2ccc(CN3CCN(S(C)(=O)=O)C(C)C3)cc2)c(C(F)(F)F)c1,NWHADBHCKHKVQQ-UHFFFAOYSA-N
-rxn:4:204049:223641,CCc1cc2c(cc1F)cc(-c1cc(C=C3C(=O)N(c4ccccc4)N=C3C)ccc1OC)n2C(=O)OC(C)(C)C,MONNQGMCJFBTOY-UHFFFAOYSA-N
-rxn:4:204054:225979,O=C(c1ccc(-c2cnc(N3CCOCC3)c(Cl)c2)o1)N1CCCN(C2CCOC2)CC1,FEBCGKIYACBFRY-UHFFFAOYSA-N
-rxn:4:204068:224486,CC(C)N(C(=O)c1cccc(-c2ccc(N3CCN(C(=O)C(C)(C)C)CC3)cc2)c1)C(C)C,FLRPYGAWJMPWRH-UHFFFAOYSA-N
-rxn:4:204070:225318,Cc1ccc(C(=O)N2CCC(N(C)C)CC2)cc1-c1c(F)cc(N2CCOCC2)cc1F,DSDATUVTZHWKCY-UHFFFAOYSA-N
-rxn:4:204118:226252,CCCCOc1cc(Cl)ccc1-c1ccccc1C(=O)N1CCCN(C2CCSC2)CC1,VUOVRCRVFNGNHA-UHFFFAOYSA-N
-rxn:4:204134:222409,COc1ccc(-c2ccccc2S(=O)(=O)N2CCCN(C3CCOC3)CC2)cc1S(N)(=O)=O,DAOOAYWVOZNIMC-UHFFFAOYSA-N
-rxn:4:204134:223177,CS(=O)(=O)NCc1ccc(-c2ccccc2S(=O)(=O)N2CCCN(C3CCOC3)CC2)cc1,FJRYFJFSXPVGKK-UHFFFAOYSA-N
-rxn:4:204137:225774,CC(C)OC(=O)c1cc(-c2ccc(CN3CCC(F)(F)CC3)c(N3CCOCC3)c2)ccc1F,ZVPMXOHYAHIQOW-UHFFFAOYSA-N
-rxn:4:204147:225674,CC1CCCCN1Cc1ccc(-c2cnc(C3CCCCC3)cc2F)cc1N1CCCC1,RHJAUWLKYSBCAL-UHFFFAOYSA-N
-rxn:4:204149:225451,CC1CCN(Cc2ccc(-c3ccc(SC4CCCCC4)cc3)cc2N2CCCC2)CC1,OLIJGWCDSYDJFK-UHFFFAOYSA-N
-rxn:4:204152:227183,CN1Cc2cc(-c3ccc(CN4CCC(F)(F)CC4)c(N4CCCCC4)c3)ccc2C1=O,LGLKYEMRTJYPIW-UHFFFAOYSA-N
-rxn:4:204161:223094,CC(=O)Nc1cc(-c2ccc(C3=NC4(CCCC4)N(C(=O)c4ccc(C)cc4)C3=S)cc2)ccc1[N+](=O)[O-],XYNKUJRNTFJRDH-UHFFFAOYSA-N
-rxn:4:204165:224168,CCN(C(=O)OC(C)(C)C)c1cccc(-c2ccc(C3=NC4(CCCCC4)N(C(=O)c4ccc(F)cc4)C3=S)cc2)c1,PMJXCUCVDCFIPD-UHFFFAOYSA-N
-rxn:4:204166:224476,CC1CCCCN1Cc1ccc(-c2ccc3c(c2)ncn3C2CCCCC2)cc1N1CCOCC1,BCDNCRGFMPCKNE-UHFFFAOYSA-N
-rxn:4:204168:226139,CC1CCN(Cc2ccc(-c3cc(C4CC4)cnc3C3CC3)cc2N2CCOCC2)CC1,GUBUSEYSKSYMPZ-UHFFFAOYSA-N
-rxn:4:204175:222645,O=C(c1ccccc1)N1C(=S)C(c2ccc(-c3cccc(OCCN4CCC(O)CC4)c3)cc2)=NC12CCCCCC2,ANXJQGPJQJHIRQ-UHFFFAOYSA-N
-rxn:4:204177:224973,CN1CCN(Cc2cccc(-c3ccc(C4=NC5(CCCCCC5)N(C(=O)c5ccc(F)cc5)C4=S)cc3)c2)CC1,RQXYCGZUWBCOMD-UHFFFAOYSA-N
-rxn:4:204184:225754,COC(=O)c1cc(-c2c(C)cc(C)c(S(=O)(=O)N3CCN(c4cccc(Cl)c4C)CC3)c2C)c(C2CC2)cn1,QBXZPVFUAYTDOG-UHFFFAOYSA-N
-rxn:4:204185:223582,COC(=O)c1ccc2cc(-c3c(C)cc(C)c(S(=O)(=O)N4CCN(c5c(C)cccc5C)CC4)c3C)n(C(=O)OC(C)(C)C)c2c1,MXIPBEGSTACMQV-UHFFFAOYSA-N
-rxn:4:204353:223980,CCOC(=O)c1nn2c(c1-c1cccc(S(=O)(=O)N3CCN(CC)CC3)c1)COCC2,BWIZCACPFBLYBX-UHFFFAOYSA-N
-rxn:4:204403:223976,COCn1ncc(-c2cc(OC3CCCC3)cc(OC(F)(F)F)c2)c1C12CCCC1O2,OGMHRKMVZXYYDU-UHFFFAOYSA-N
-rxn:4:204596:223582,COC(=O)c1ccc2cc(-c3ccc4c(n3)N(C(=O)OC(C)(C)C)CCC4)n(C(=O)OC(C)(C)C)c2c1,HBPZFAHXXCKILZ-UHFFFAOYSA-N
-rxn:4:204648:222598,Cc1cc(-c2ccc(C(=O)N3CC(N4CCc5sccc5C4)C3)o2)cc(C)c1S(=O)(=O)NC1CCCC1,KADHQZWJNZPPOF-UHFFFAOYSA-N
-rxn:4:204648:222695,Cc1ccc(-c2ccc(C(=O)N3CC(N4CCc5sccc5C4)C3)o2)cc1S(=O)(=O)NC1CCCC1,OPNFHZCCXYBBEU-UHFFFAOYSA-N
-rxn:4:204681:225281,CC(C)(C)OC(=O)c1cc(-c2ccc3c(n2)N(C(=O)OC(C)(C)C)CC3(C)C)cc(Cl)n1,NEDOUVWXHYOVIV-UHFFFAOYSA-N
-rxn:4:204691:226989,CCCCN1C(=O)C(=C2SC(=S)N(C)C2=O)c2cc(-c3ccc(N(CC)CC)cc3)ccc21,IVIPVGIGZKNLPQ-UHFFFAOYSA-N
-rxn:4:204764:223239,O=C1C2CC=CCC2C(=O)N1C1CN(S(=O)(=O)c2ccc(-c3cncc(C4CCCN4)c3)cc2)C1,JMGNGTBCUNVNKZ-UHFFFAOYSA-N
-rxn:4:204764:229101,Cc1ccnc(Cl)c1-c1ccc(S(=O)(=O)N2CC(N3C(=O)C4CC=CCC4C3=O)C2)cc1,CKGFBDZXBDGENM-UHFFFAOYSA-N
-rxn:4:204780:227237,CCOC(=O)c1ccccc1-c1ccc(S(=O)(=O)N2CC(N3CC4CCCC4C3)C2)cc1,WDUYBYMQJAUNKP-UHFFFAOYSA-N
-rxn:4:204787:225168,O=C(C1=CN(c2ccc(-c3ccc(CN4CCOCC4)c(F)c3)cc2)c2ccccc2S1(=O)=O)N1CCCC1,GGNJTTGSJAXZHH-UHFFFAOYSA-N
-rxn:4:204791:225295,COc1ccccc1N1C(=O)N(c2cccc(-c3ccccc3S(=O)(=O)N3CCCC3)c2)C2CS(=O)(=O)CC21,NJTJXXSIYQGIFG-UHFFFAOYSA-N
-rxn:4:204799:226352,Cc1cc(-c2ccc(N3C=C(C(=O)N4CCCC4)S(=O)(=O)c4ccc(F)cc43)cc2)c(Cl)cc1OC(C)C,YBMWWLYUUGNGLA-UHFFFAOYSA-N
-rxn:4:204817:223998,Cc1ccccc1N1C(=O)N(Cc2cccc(-c3ccc(S(=O)(=O)N4CCC(C)CC4)c(F)c3)c2)c2ccccc2S1(=O)=O,FFSWQOQRWHYMSV-UHFFFAOYSA-N
-rxn:4:204834:224977,N#Cc1cc(-c2cccc(N3C=C(C(=O)N4CCCCC4)S(=O)(=O)c4ccc(Cl)cc43)c2)ccc1N1CCCCC1,TYPKILHWXARRLU-UHFFFAOYSA-N
-rxn:4:204835:225322,Cn1nc(C(F)(F)F)c2c(-c3ccc(N4C=C(C(=O)N5CCCCC5)S(=O)(=O)c5ccc(Cl)cc54)cc3)cccc21,DRRLQAGRTVTTMW-UHFFFAOYSA-N
-rxn:4:204875:225162,O=C(c1ccc(-c2ccc(C3OC4(C(=O)c5ccccc5C4=O)C4C(=O)N(c5ccc([N+](=O)[O-])cc5)C(=O)C34)cc2)cc1Cl)N1CCCC1,ZNNZGRNTBJFIGJ-UHFFFAOYSA-N
-rxn:4:204913:223847,CCCCCC1CCC(c2ccc(-c3ccc4c(c3)c3c(n4C)CCN(C(=O)OC(C)(C)C)C3)cc2)CC1,LTVUZKLYFOCGNK-UHFFFAOYSA-N
-rxn:4:204914:222447,COc1ccc2c(c1-c1ccc3c4c([nH]c3c1)CCCN(C(=O)OC(C)(C)C)C4)N=C(NC(=O)OC(C)(C)C)C2,HSSFOZMXHVTEAO-UHFFFAOYSA-N
-rxn:4:204960:222695,CCOc1cc2c3c(c1)-c1c(sn(-c4ccc(-c5ccc(C)c(S(=O)(=O)NC6CCCC6)c5)cc4)c1=S)C(C)(C)N3C(=O)C2=O,WZGROWKTDORTHD-UHFFFAOYSA-N
-rxn:4:205687:222439,O=S(=O)(NC1CCCCC1)c1ccc(-c2cnn(C3(C(F)(F)F)CCC3)c2)c(C(F)(F)F)c1,FKPPJFWAJKRVGL-UHFFFAOYSA-N
-rxn:4:205703:223683,Cc1c(-c2cnc(OC3CCN(C(=O)OC(C)(C)C)C3)nc2)cc(S(N)(=O)=O)cc1[N+](=O)[O-],UOFUDVGGISXZQS-UHFFFAOYSA-N
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-rxn:4:206338:223755,CC1CCN(CCCOc2ccc(-c3cc([N+](=O)[O-])ccc3N3CCCC3)cc2F)CC1,FMSOJVLFCLTWRN-UHFFFAOYSA-N
-rxn:4:206364:223492,Cc1cc(-c2cc(C3CC3)cc(-n3cccn3)c2)ccc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,AAIAUOCIVWGDOK-UHFFFAOYSA-N
-rxn:4:206431:223595,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(Cl)c(C(=O)N4CCOCC4)c3)cc2F)CC1,IUYRLRYUCQFLFH-UHFFFAOYSA-N
-rxn:4:206679:223492,Cc1cc(-c2cncnc2CC2CCCCC2)ccc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,VIZIQZNJNMINAA-UHFFFAOYSA-N
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-rxn:4:206793:224379,CN1CCN(S(=O)(=O)c2ccccc2-c2cc(S(N)(=O)=O)ccc2N2CCOCC2)CC1,HLPCKKSQRXBVQE-UHFFFAOYSA-N
-rxn:4:206844:223970,CC(=O)N1CCN(c2ccc(-c3ccc(C)c(S(=O)(=O)N4CCC(C)CC4)c3)cc2)CC1,DOZPGAJDSOEXII-UHFFFAOYSA-N
-rxn:4:206930:222585,CN1CCN(Cc2cc(F)cc(-c3ccccc3C(=O)NCCN3CCOCC3)c2)CC1,BELKKERJZLLMBU-UHFFFAOYSA-N
-rxn:4:206945:223681,Cc1nc(C2CCCN(S(C)(=O)=O)C2)sc1-c1cc2cc([N+](=O)[O-])ccc2n1C(=O)OC(C)(C)C,ZPMRCBYADVTHIM-UHFFFAOYSA-N
-rxn:4:206955:224250,CC1CCCCN1C(=O)c1ccc(F)c(-c2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)c1,CYBPCFZLZOQXLO-UHFFFAOYSA-N
-rxn:4:206957:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cncc(S(=O)(=O)N2CCC(C)CC2)c1,XZNNRXZHMKBDDG-UHFFFAOYSA-N
-rxn:4:206970:222799,Cc1cc(-c2cc(N3CCC(C)CC3)c([N+](=O)[O-])cc2F)ccc1S(=O)(=O)NC(C)(C)C,OHOFCNDBPWOOQU-UHFFFAOYSA-N
-rxn:4:206984:222583,CC1CCCN(c2cc(C(F)(F)F)c(-c3ccc(C(=O)NCCN4CCOCC4)cc3)cn2)C1,FUKSHPVVPWLPBZ-UHFFFAOYSA-N
-rxn:4:206987:225001,Cc1cc(N2CCC(F)(F)CC2)c(-c2ccc(CN3CCCC(F)C3)cc2)cc1[N+](=O)[O-],ITWQKBWFCXYOCH-UHFFFAOYSA-N
-rxn:4:207028:222447,COc1ccc2c(c1-c1cccc(C3CCCN(C(C)C)C3)n1)N=C(NC(=O)OC(C)(C)C)C2,AVBWYGHZDZZXCW-UHFFFAOYSA-N
-rxn:4:207030:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3cccc(CC4CCCN(C)CC4)n3)cc2)CC1,HSYNGCDAYJSMBX-PECFQXNXSA-N
-rxn:4:207056:223771,COc1ccc2c(c1)cc(-c1cc(S(N)(=O)=O)ccc1N1CCC(C)CC1)n2C(=O)OC(C)(C)C,OJCYDGJPOPRWCN-UHFFFAOYSA-N
-rxn:4:207081:222935,CN(C)S(=O)(=O)NCc1ccc(-c2cncc(C(=O)N3CC4(COC(C)(C)OC4)C3)c2)cc1,DGFHSBJZXWFUNJ-UHFFFAOYSA-N
-rxn:4:207091:223078,CCNS(=O)(=O)c1ccc(-c2ccc(N3C(=O)CC(N4CCCCCC4)C3=O)cc2)c(C)c1,ULOONLUJOTUJOS-UHFFFAOYSA-N
-rxn:4:207127:223532,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)cc(-c3cc(OC(F)(F)F)cc4nccnc34)c2)CC1,GDFLEMOQQLCZAV-UHFFFAOYSA-N
-rxn:4:207463:223505,CCn1ncc(-c2ccc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cc2)c1C12CCSCC1O2,QGYZWAFZEQVNTB-UHFFFAOYSA-N
-rxn:4:207779:225213,CN1CCN(c2ccc(-c3ccc(S(=O)(=O)N4CCN5CCC4CC5)cc3)c(Cl)c2)CC1,IKWPLHQLTBIHQE-UHFFFAOYSA-N
-rxn:4:207854:222538,c1cc2c(cc1-c1cc(C3CCCC3)nc(C3CCNCC3)c1)CCN2C1CCN(C2CCC2)CC1,YVWGQPXIUGQVRY-UHFFFAOYSA-N
-rxn:4:207856:225881,CC(C)N1CCN(C2CCCc3cc(-c4ccc(C5CCOCC5)nc4F)ccc32)CC1,YDFVTGZWBBPJPP-UHFFFAOYSA-N
-rxn:4:207858:228837,CCN1C(=O)C(=C2SC(=S)N(C3CCCCC3)C2=O)c2cc(-c3ccc(C)c(Cl)c3F)ccc21,XGEJNTPJBGUSPU-UHFFFAOYSA-N
-rxn:4:207943:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2ccc(N3C(=O)c4cccc5c(N6CCOCC6)ccc(c45)C3=O)cc2)cc1,VJLLSVAOJQYWKL-UHFFFAOYSA-N
-rxn:4:207959:225833,Cc1ccc(C2=NN3C(C2)c2cc(-c4ccnc(N5CCCCC5)c4F)ccc2OC3C2CCCCC2)cc1,QQJKIWYLOWIAEK-UHFFFAOYSA-N
-rxn:4:209634:223640,CCOC12C(=O)c3cc(F)cc(-c4cc(C5CCOCC5)nc(Cl)n4)c3C(=O)C1C2(C)C,KBNBTRHPQANHNT-UHFFFAOYSA-N
-rxn:4:210681:223650,CC(C)(C)OC(=O)N1CCN(c2ccccc2-c2ccc(C3=CSC4=NCCN34)cc2)CC1,QFESLXDXUNKRJO-UHFFFAOYSA-N
-rxn:4:210681:223823,CC(C)(C)OC(=O)N1CCC(n2cc(-c3ccc(C4=CSC5=NCCN45)cc3)cn2)CC1,MHNDFHKHVXZCPW-UHFFFAOYSA-N
-rxn:4:210785:223493,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccc([N+](=O)[O-])c2c1CCN(C)C2,GALAUEJPHDQSOO-UHFFFAOYSA-N
-rxn:4:212528:223505,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(-c3cnn(CC4CN(C(=O)COc5ccccc5F)C4)c3)cc2)CC1,PDYKZIRKNGZROR-UHFFFAOYSA-N
-rxn:4:212542:224125,CCOCC(=O)N1CCCC(Oc2ncc(-c3ccc(CN4CCN(C5CC5)CC4)cc3)cn2)C1,INTASWXULJWYJN-UHFFFAOYSA-N
-rxn:4:212542:225273,CCCOc1cc(C(F)(F)F)ccc1-c1cnc(OC2CCCN(C(=O)COCC)C2)nc1,IILXBYLXUZMPHU-UHFFFAOYSA-N
-rxn:4:212562:224167,CN(Cc1ccc(-c2ccc(C(=O)N3CCN=C3SCc3ccc([N+](=O)[O-])cc3)cc2)cc1)C(=O)OC(C)(C)C,GRXHPDLNHMPXRL-UHFFFAOYSA-N
-rxn:4:212565:224743,CC(C)(C)OC(=O)c1cc(F)c(-c2ccc(C(=O)N3CCN=C3SCc3cccc([N+](=O)[O-])c3)cc2)c(F)c1,PHMPYNUTNPBMBS-UHFFFAOYSA-N
-rxn:4:212573:223502,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3cn(COCC[Si](C)(C)C)nc3-c3ccncc3)cc2F)CC1,YQKSHCVBZZQCFV-UHFFFAOYSA-N
-rxn:4:212604:225619,Cc1ccc(C(=O)N2CCN=C2SCc2ccc(-c3ccc(Cl)cc3OC3CCCC3)cc2)cc1[N+](=O)[O-],NAJDZTVIASKQMI-UHFFFAOYSA-N
-rxn:4:212621:223592,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(OCC4CCN(C(=O)Cc5ccc(F)cc5)CC4)nc3)c(Cl)c2)CC1,KXOCPNSHUFREFQ-UHFFFAOYSA-N
-rxn:4:212624:223873,CC1CCN(C(=O)CCc2ccccc2-c2ccccc2CCC(=O)N2CCC(Oc3ncc(F)cn3)CC2)CC1,UNPJRHKUPSXSOR-UHFFFAOYSA-N
-rxn:4:212630:225361,O=C(c1cncc(-c2cn(C3CCCC3)nc2C(F)(F)F)c1)N1CCCC(COc2ncccc2C(F)(F)F)C1,KBMUYZUMJOTIPF-UHFFFAOYSA-N
-rxn:4:212637:225322,CN(C(=O)c1ccc(-c2cccc3c2c(C(F)(F)F)nn3C)nc1)C1CCN(C(=O)OC(C)(C)C)C1,OICXXNOXMBVZIH-UHFFFAOYSA-N
-rxn:4:212648:227658,CN(C)c1cc(Cl)c(-c2cn(C)nc2OCC2CCN(C(=O)OC(C)(C)C)CC2)cc1F,LZIDOLPLAQCWFW-UHFFFAOYSA-N
-rxn:4:212650:222634,CC(C)(C)CC(=O)N1CCCC(COc2ncc(-c3ccc(OCCNC4CCCC4)c(F)c3)cn2)C1,YCOCMXRJRFNPGS-UHFFFAOYSA-N
-rxn:4:212650:225977,CC(C)(C)CC(=O)N1CCCC(COc2ncc(-c3cc(Cl)cnc3N3CCOCC3)cn2)C1,UWZLEUHWBQRNTA-UHFFFAOYSA-N
-rxn:4:212668:222742,CCOc1ccccc1S(=O)(=O)N1CCC(Oc2ncc(-c3cc(C4CCNCC4)nc(C4CC4)c3)cn2)CC1,VBJLJGCWTODSKR-UHFFFAOYSA-N
-rxn:4:212680:225355,COC(=O)c1ccc(-c2cc(F)ccc2CC(=O)N2CCC(COc3ccc(C)nn3)CC2)c(C(F)(F)F)c1,GARSZOIBKGUBSC-UHFFFAOYSA-N
-rxn:4:212691:225201,CN(C(=O)c1ccc(-c2ccc(OC3CCCC3)c(F)c2F)nc1)C1CCN(C(=O)OC(C)(C)C)CC1,WWBZXKBIWRAMMQ-UHFFFAOYSA-N
-rxn:4:212691:226567,COC(=O)C(=O)c1ccc(-c2ccc(C(=O)N(C)C3CCN(C(=O)OC(C)(C)C)CC3)cn2)cc1,IDYKBKWRQZUCPA-UHFFFAOYSA-N
-rxn:4:212710:222741,Cc1ncnc(OCC2CCN(C(=O)Cc3ccc(-c4cc(C5CC5)nc(C5CCCNC5)c4)cc3)CC2)c1C,IIWBUIUCWTZZDX-UHFFFAOYSA-N
-rxn:4:212720:222910,CCCNS(=O)(=O)c1ccc(-c2ccc(C(=O)N(C)C3CCCN(C(=O)OC(C)(C)C)CC3)cn2)c(C)c1,AGXWRYPQSYDVNX-UHFFFAOYSA-N
-rxn:4:212721:225212,CC(C)C(=O)N1CCN(c2cc(C(=O)OC(C)(C)C)cc(-c3cc(F)cc(N4CCN(C)CC4)c3)n2)CC1,DQBVOXFYJKNXJS-UHFFFAOYSA-N
-rxn:4:212721:227445,CC(C)C(=O)N1CCN(c2cc(C(=O)OC(C)(C)C)cc(-c3cnc(Cl)c(C4CCC4)c3)n2)CC1,SHGFIBJLJDEDAT-UHFFFAOYSA-N
-rxn:4:212729:222740,COc1ccc(-c2noc(C3CCCN(S(=O)(=O)c4ccc(-c5cc(C(C)C)nc(C6CCCNC6)c5)cc4)C3)n2)cc1OC,OAZISLGLKXPOOW-UHFFFAOYSA-N
-rxn:4:212731:224703,COc1cc(OC)cc(-c2noc(C3CCCN(S(=O)(=O)c4ccc(-c5cc(C6CCCC6)cc(C(F)(F)F)c5)cc4)C3)n2)c1,WUTUDQNAUPTKRU-UHFFFAOYSA-N
-rxn:4:212737:226817,CC(C)(C)OC(=O)N1CCN(c2cc(CN3CCOCC3)cc(-c3cc(-c4ccnc(Cl)n4)cs3)c2)CC1,NKBUTLZEZVYIBR-UHFFFAOYSA-N
-rxn:4:212739:226024,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cccc(OCC(F)(F)F)c3F)cc2N2CCCCC2)CC1,NFRYYPBJGOMKRJ-UHFFFAOYSA-N
-rxn:4:212743:223142,CC(C)(C)OC(=O)N1CCC(CN2CCN(c3ccc(-c4ccc(C5CCCNC5)nc4)cc3)CC2)CC1,YXXDHIYWMWIGLE-UHFFFAOYSA-N
-rxn:4:212767:222613,CCCNS(=O)(=O)c1ccc(-c2ccc(C(=O)N=c3sc4cc(S(N)(=O)=O)ccc4n3CCOC)s2)c(C(F)(F)F)c1,QZUJNQDWUAZFCX-UHFFFAOYSA-N
-rxn:4:212814:225460,Cc1ccccc1-c1cc(-c2c3c(nn2C(=O)OC(C)(C)C)C(C)(C)N(C(=O)OC(C)(C)C)C3)ccn1,XXKUTNHKDWUGPU-UHFFFAOYSA-N
-rxn:4:212814:226080,COc1ccc(-c2c3c(nn2C(=O)OC(C)(C)C)C(C)(C)N(C(=O)OC(C)(C)C)C3)c2ccccc12,PQSGORKBIVAVAL-UHFFFAOYSA-N
-rxn:4:212836:224793,CC(C)COc1ncc(C(F)(F)F)cc1-c1ccc(C2=NN(C(=O)CSc3cn(C)c4ccccc34)C(c3ccc(F)cc3)C2)cc1,PKBDTOFRDLAMQD-UHFFFAOYSA-N
-rxn:4:212888:223582,COC(=O)c1ccc2cc(-c3cnc(CN(C)C(=O)OC(C)(C)C)nc3)n(C(=O)OC(C)(C)C)c2c1,CTTQWOQNZIGBHE-UHFFFAOYSA-N
-rxn:4:212902:224485,CC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2cn(C)nc2CN(C)C(=O)OC(C)(C)C)c1,LSSRBOVCNGPMKQ-UHFFFAOYSA-N
-rxn:4:212923:225381,CC(C)(C)OC(=O)N1CC(C#N)(c2ccc(-c3ccc(C(F)(F)F)c(C(F)(F)F)c3)cn2)C1,JHDXFKXRLZSHRL-UHFFFAOYSA-N
-rxn:4:212944:225278,CCOC(=O)N1CCN(c2ncc(C(F)(F)F)cc2-c2cc(C(=O)OC)ccc2C(=O)OC)CC1,UMKNLYWKJOSXFQ-UHFFFAOYSA-N
-rxn:4:212966:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3cnc(OC4CCN(C(=O)OC(C)(C)C)C4)nc3)c2)CC1,NZCVCLNYTUXDKX-UHFFFAOYSA-N
-rxn:4:212989:225975,CC(C)(C)OC(=O)N1CCN(C(=O)c2cnc(-c3ccnc(N4CCOCC4)c3Cl)s2)CC1,MMQLWDUURNXTNI-UHFFFAOYSA-N
-rxn:4:213011:222912,CC(C)CNS(=O)(=O)c1ccc(-c2cnc(OCC3CCCN(C(=O)C(C)C)C3)nc2)cc1,OTTLNTPRSGCXBZ-UHFFFAOYSA-N
-rxn:4:213049:223940,CC1CCN(c2oc(COc3ccc(-c4ccc5c(c4)OCCN5C(=O)OC(C)(C)C)cc3)nc2C#N)CC1,DESYPSXFUOEBGS-UHFFFAOYSA-N
-rxn:4:213060:222604,COc1ccc(-c2ccc(C(=O)N3CCN(Cc4nc(-c5ccco5)cs4)CC3)o2)cc1S(=O)(=O)NC1CCCC1,FWCMRLQIMJLOFH-UHFFFAOYSA-N
-rxn:4:213061:223897,Cc1ccc(-c2ccc(S(=O)(=O)N3CCC(Oc4ncccc4C#N)CC3)cc2)cc1OCCCN1CCOCC1,HYAJFKWIISSUFA-UHFFFAOYSA-N
-rxn:4:213079:224785,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3ccc(OC(F)(F)F)c4ncccc34)nc2)CC1,YZWOYMZUMLZBEB-UHFFFAOYSA-N
-rxn:4:213081:223168,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cccnc3N3CCNCC3)cc2C#N)CC1,LESVWDPRFFOQLM-UHFFFAOYSA-N
-rxn:4:213105:224803,CC(C)Oc1ccc(OC(F)(F)F)c(-c2cccnc2OC2CCN(C(=O)c3cc(C4CC4)on3)CC2)c1,PUTIYRSXMIEMOQ-UHFFFAOYSA-N
-rxn:4:213123:224277,CC(C)(C)OC(=O)n1ccc2c(-c3ccccc3CC(=O)N3CCN(c4ccnc(C(F)(F)F)c4)C(=O)C3)ccnc21,MTPJBWYWUQVAKF-UHFFFAOYSA-N
-rxn:4:213123:226835,CC(C)n1nc(C(F)(F)F)cc1-c1ccccc1CC(=O)N1CCN(c2ccnc(C(F)(F)F)c2)C(=O)C1,UMHIHHPDTISBIC-UHFFFAOYSA-N
-rxn:4:213127:225200,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3ccc(F)c(OC4CCCC4)c3F)ccn2)CC1,JGGKSJHBCGEKFL-UHFFFAOYSA-N
-rxn:4:213131:224764,CC(C)(C)C(=O)N1CCC(COc2ncc(-c3ccc(C(=O)N4CCOCC4)cc3F)cn2)CC1,WTSZBXKQZWRZKF-UHFFFAOYSA-N
-rxn:4:213134:226255,CCCCOc1ccc(Cl)cc1-c1cnc(OC2CCN(C(=O)C(C)(C)CC)CC2)nc1,WKKWNTVTZCMGSW-UHFFFAOYSA-N
-rxn:4:213150:224379,CN1CCN(S(=O)(=O)c2ccccc2-c2ccc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)nc2)CC1,NLINNKDJTBDZEX-UHFFFAOYSA-N
-rxn:4:213150:227086,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(-c3ccnc(C4CCCC4)c3)cn2)CC1,AUXZOSBIPZRUAN-UHFFFAOYSA-N
-rxn:4:213164:226282,CC(C)COc1cccc(-c2cnc(OCC3CCCN(C(=O)C4CCCC4)C3)nc2)c1F,ILIWXTXKCKCPBI-UHFFFAOYSA-N
-rxn:4:213213:225560,CN(c1cccc(-c2cccc(COC3CCOC3)c2)n1)C1CCN(C(=O)OC(C)(C)C)CC1,OBTFEGKRYYWFLA-UHFFFAOYSA-N
-rxn:4:213222:222697,CC(C)(C)c1csc(CN2CCN(C(=O)c3ccc(-c4ccc(Cl)c(C(=O)N5CCC(O)CC5)c4)o3)CC2)n1,GWNQVRJJULNASS-UHFFFAOYSA-N
-rxn:4:213249:222658,CN(C)c1cccc(C(=O)N2CCC(Oc3ncccc3-c3cc(F)cc(C(=O)NC4CCCCC4)c3)CC2)c1,MIWBUCONECXERS-UHFFFAOYSA-N
-rxn:4:213257:224936,Cc1nn(CC2CCN(C(=O)OC(C)(C)C)CC2)c(C)c1-c1ccc(CC(=O)OC(C)(C)C)cc1,WVKDEFDHZLKAPH-UHFFFAOYSA-N
-rxn:4:213261:222941,CONS(=O)(=O)c1c(C)cc(-c2ccc(CN3CCN(CC(F)(F)F)CC3)c(N3CCOCC3)c2)cc1C,IOWZWTSSSJBLID-UHFFFAOYSA-N
-rxn:4:213263:222907,CN(C)c1ccc(C(=S)N2CCN(C(=S)c3cccc(-c4ccncc4NC(=O)OC(C)(C)C)c3)CC2)cc1,CKNLTGWDYGILHO-UHFFFAOYSA-N
-rxn:4:213280:223156,CCNC(=O)c1ccc(F)c(-c2ccc(CN3CCN(CC(F)(F)F)CC3)c(N3CCCCC3)c2)c1,FUISXNVLXBFLTL-UHFFFAOYSA-N
-rxn:4:213336:224967,COC(=O)c1cc(-c2nc(C(=O)OC)c3n2CCN(C(=O)OC(C)(C)C)CC3)cc(C(C)(C)C)c1,GBKSFKNOVWBNCW-UHFFFAOYSA-N
-rxn:4:213336:226917,COC(=O)c1nc(-c2cc(C)cc(C(C)(C)C)c2)n2c1CCN(C(=O)OC(C)(C)C)CC2,HDSZRZXRWUMJHO-UHFFFAOYSA-N
-rxn:4:213349:222638,CC(NC(=O)OC(C)(C)C)c1cccc(-c2nn(Cc3ccccc3)c3c2CN(C(=O)OC(C)(C)C)C3)c1,GDBXFGUWEXPZAY-UHFFFAOYSA-N
-rxn:4:213400:224608,COC(=O)c1cc(OCC2CC2)cc(-c2ccc3ccn(CC(=O)N4CCN(c5cccc(OC)c5)CC4)c3c2)c1,CELZNVIKXFUAPR-UHFFFAOYSA-N
-rxn:4:213451:223575,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5ccccc5CN5CCN(C(=O)OC(C)(C)C)CC5)cc43)C(=O)N2c2ccc(CC)cc2)cc1,WXOFFPQUOYHQHH-UHFFFAOYSA-N
-rxn:4:213717:224606,CCCOc1cc(-c2cnc(CCC3CCCCN3C(C)=O)cn2)cc(Cl)c1OC(C)C,LZAIJYXFMIHTES-UHFFFAOYSA-N
-rxn:4:213744:222621,CC(C)Cc1cc(-c2cnccc2OC2CCN(c3ccnc(C(F)(F)F)c3)C2)cc(C2CCCNC2)n1,IWYHZVLQKKEIGY-UHFFFAOYSA-N
-rxn:4:213761:225776,CCCc1cc(-c2cnn(CC3CN(C(=O)C4CC=CCC4)C3)c2)cc(C(F)(F)F)c1,QAKMFRFJDHCTIZ-UHFFFAOYSA-N
-rxn:4:213764:225178,CC(C)(C)OC(=O)N1CCC(c2cnc(-c3ccc(CN4CCOCC4)cc3F)cn2)C1,FQABTRJYWLOXHQ-UHFFFAOYSA-N
-rxn:4:213781:223523,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc(C(=O)N4CCN(Cc5nc(C)cs5)CC4)o3)c3ccccc23)CC1,YAQQIAXARBWOLL-UHFFFAOYSA-N
-rxn:4:213795:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cnn(CC2CN(CC3CCCOC3)C2)c1,AOMLGGNWJYNBNM-UHFFFAOYSA-N
-rxn:4:213799:224718,CC(C)(C)OC(=O)N1CCOC(c2cc(-c3ccc(OCCN4CCOCC4)nc3)ncn2)C1,DNYZPHMFNPXRIO-UHFFFAOYSA-N
-rxn:4:213804:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(-n4cc(OCC5CCCCC5)cn4)nc3)c(F)c2)CC1,OWRSNKJHGMFYMK-YOCNBXQISA-N
-rxn:4:213804:223728,CCCCCC1CCC(c2ccc(-c3ccc(-n4cc(OCC5CCCCC5)cn4)nc3)c(F)c2)CC1,OWRSNKJHGMFYMK-UHFFFAOYSA-N
-rxn:4:213805:225518,CCCCCOc1ncc(C)cc1-c1cnc(C2CN(C(=O)OC(C)(C)C)CCO2)nc1,GHSQQHNHFPHWKS-UHFFFAOYSA-N
-rxn:4:213874:223059,CC(C)(C)OC(=O)N1CCN(c2cc(-c3ccc(N4CCNCC4)cc3Cl)ccn2)CC1,OJWPHWDFNGOYEV-UHFFFAOYSA-N
-rxn:4:213875:226714,CC(C)(C)OC(=O)N1CCN(c2cccc(-c3ccnn3C(=O)OC(C)(C)C)n2)CC1,VMNGZCAQKIVXQR-UHFFFAOYSA-N
-rxn:4:213880:224804,CC(C)Oc1ccc(-c2ccncc2N2CCN(C(=O)OC(C)(C)C)CC2)cc1OC(F)(F)F,YFPAGXIBDBVBLA-UHFFFAOYSA-N
-rxn:4:213883:222820,Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)sc1-c1ccc(S(=O)(=O)NC(C)(C)C)c(F)c1,CPDNETHXJPPLFM-UHFFFAOYSA-N
-rxn:4:213942:223577,Cc1nn(C2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccc(OC2CCN(C(=O)OC(C)(C)C)CC2)cc1,PBIFTQICVXMINK-UHFFFAOYSA-N
-rxn:4:213966:222694,COc1cc(S(=O)(=O)N2CCN(c3ccccn3)CC2)ccc1-c1cccc(S(=O)(=O)NC2CCCCC2)c1,DZVMDIPVHAMFKJ-UHFFFAOYSA-N
-rxn:4:213969:222615,CC(C)Cc1cc(-c2ccc(C(=O)N3CCC(N4CC(=O)N(C5CC5)C4=O)CC3)o2)cc(C2CCNCC2)c1,RDZKNOGIKHSUHG-UHFFFAOYSA-N
-rxn:4:213972:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cnc(N4CCOC(C(=O)N5CCOCC5)C4)c(C(F)(F)F)c3)ccn2)CC1,IIHXGKLGNOWKIP-UHFFFAOYSA-N
-rxn:4:213986:226844,Cc1cc(-c2ccnc(C(=O)C(F)(F)F)c2)cnc1N1CCN(C(=O)OC(C)(C)C)CC1,ABFWOTAUPSHNKL-UHFFFAOYSA-N
-rxn:4:213991:226546,COC(=O)c1cccc(-c2cnc(OC3CCN(CC4CCCOC4)CC3)nc2)c1OC,VECCXFWKEOOQCM-UHFFFAOYSA-N
-rxn:4:214005:225912,CCCOc1c(F)cc(F)c(-c2cccc(C(=O)N3CCN(C(=O)N4CCOCC4)CC3)c2)c1F,FEGUKHJLPRUZHD-UHFFFAOYSA-N
-rxn:4:214008:224718,CC(C)c1sc(-c2ccc(OCCN3CCOCC3)nc2)nc1C(=O)N1CCN(c2ccc(F)cc2)CC1,SLRUGYZMPBWUMA-UHFFFAOYSA-N
-rxn:4:214011:223898,Cc1nn(S(=O)(=O)c2ccc(-c3ccc(N(C(=O)OC(C)(C)C)C(C)C)cc3)cc2)c(C)c1S(=O)(=O)N1CCCC1,FAWHGIIGYXLNAF-UHFFFAOYSA-N
-rxn:4:214033:226925,Cc1cc(C2CC2)cc(-c2cc(C3=N[C@@H](C(C)C)CO3)nc(C3=N[C@@H](C(C)C)CO3)c2)c1C,RMZHELHJDUKMNV-CLJLJLNGSA-N
-rxn:4:214033:227933,CCc1ccc(OC)cc1-c1cc(C2=N[C@@H](C(C)C)CO2)nc(C2=N[C@@H](C(C)C)CO2)c1,KLTHOWQKRHXNOF-DNQXCXABSA-N
-rxn:4:214042:226843,O=C(c1ccc(-c2ccc(C(=O)C(F)(F)F)nc2)o1)N1CCC(N2CC(=O)N(c3ccccc3)C2=O)CC1,WNPVTYCINZUNHV-UHFFFAOYSA-N
-rxn:4:214048:223098,CC(=O)NS(=O)(=O)c1ccc(-c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3C)cc2C)cc1,OMDVOHMUBOZFKR-UHFFFAOYSA-N
-rxn:4:214050:223382,C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)CN1c1ncc(-c2cnc(NC3CC3)nc2)cc1F,DGBKUFLYQCPUBW-CABCVRRESA-N
-rxn:4:214057:223847,CCCCCC1CCC(c2ccc(-c3ccc(CN4CCN(CC)CC4)c(N4CCCC4)c3)cc2)CC1,KGBIYYMVYHRCAD-UHFFFAOYSA-N
-rxn:4:214061:223570,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3cc(C4=N[C@@H](c5ccccc5)CO4)nc(C4=N[C@@H](c5ccccc5)CO4)c3)c(F)ncc21,FXWXEIMVYXNKGX-KKLWWLSJSA-N
-rxn:4:214064:222753,CS(=O)(=O)N1CCN(Cc2ccc(-c3cccc(C(=O)NCc4cccs4)c3)cc2N2CCOCC2)CC1,JXCSIXHOTXSDBT-UHFFFAOYSA-N
-rxn:4:214088:223648,CCOC(=O)c1cc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2)cn2c(C#N)cnc12,MYZHUBVKJNYTPC-UHFFFAOYSA-N
-rxn:4:214153:224722,CN(C(=O)OC(C)(C)C)c1cc(-c2cnn3c2OC[C@H](N(C)C(=O)OC(C)(C)C)C3)ccn1,LBVCWGUVGOYSOO-MRXNPFEDSA-N
-rxn:4:214180:222584,CC(C)(C)OC(=O)N1CC(c2cc3ccc(-c4ccc(OCCCN5CCNCC5)c(F)c4)cn3n2)C1,SJCRNKZAYYJUDC-UHFFFAOYSA-N
-rxn:4:214183:224683,CC(C)(C)OC(=O)N1CC(c2ncn3cc(-c4cc(F)cc(C(=O)N5CCCCC5)c4)ccc23)C1,UKNQBKHTPAXOTP-UHFFFAOYSA-N
-rxn:4:214234:224668,CCN1CCN(c2cc(F)cc(-c3cnc4[nH]cc(C5=CCN(C(=O)OC(C)(C)C)CC5)c4c3)c2)CC1,HVDSALXXSJVSAG-UHFFFAOYSA-N
-rxn:4:214273:222929,CC(C)(C)OC(=O)N1CCC(n2cnc3ccc(-c4cnc(Cl)c(N5CCC(O)CC5)c4)cc32)CC1,ZNTWNMQESWGYPA-UHFFFAOYSA-N
-rxn:4:214276:223625,Cc1cc(C(C)(C)C)ccc1OCc1ccc(-c2cnc3[nH]c(C4CCN(C(=O)OC(C)(C)C)CC4)cc3c2)cc1,QWHRUBHBUCSYQW-UHFFFAOYSA-N
-rxn:4:214304:224323,Cc1cc(-c2nn(C3CCOCC3)c3c2CN(C(=O)OC(C)(C)C)CC3)cc(C)c1S(=O)(=O)N1CCCC1,QTNVSQZZXZXYSN-UHFFFAOYSA-N
-rxn:4:214631:224394,Cc1ccc(-c2cnc(CC3CCN(S(C)(=O)=O)C3)cn2)cc1S(=O)(=O)N1CCOCC1,KCMUVKPNLAOSRL-UHFFFAOYSA-N
-rxn:4:214646:223480,Cc1cc(-c2nccc(OCC3CCN(C)CC3)n2)cc(C)c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,ZAGZZPXPQZHMAI-UHFFFAOYSA-N
-rxn:4:214698:223652,CCCc1nc(N2CCN(C)CC2)sc1-c1cc2c(Cl)ccc(OC)c2n1C(=O)OC(C)(C)C,JIAFCNWLEAAYJZ-UHFFFAOYSA-N
-rxn:4:214706:224377,CN1CCN(S(=O)(=O)c2ccc(-c3cnc(CC4CCCN(S(C)(=O)=O)C4)cn3)cc2)CC1,BMWXFUYQYCALAG-UHFFFAOYSA-N
-rxn:4:214728:223579,CC1CCN(C(=O)C(C)n2cc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4C)cc3)cn2)CC1,NMZGSHXAJSQZFY-UHFFFAOYSA-N
-rxn:4:214744:224198,CCN1CCN(Cc2ccc(-c3ccc(N4CCC(N(C)C)CC4)cc3C#N)c(F)c2)CC1,SUKDIOVCAGPWEB-UHFFFAOYSA-N
-rxn:4:214821:224755,O=C(c1ccc(F)c(-c2cnc(N3CCCN(S(=O)(=O)C4CC4)CC3)c(F)c2)c1)N1CCOCC1,CARGHHGHZWSYOJ-UHFFFAOYSA-N
-rxn:4:214829:226259,CCCCOc1ccc(-c2cccnc2N2CCOC(C(=O)N3CCSCC3)C2)cc1Cl,XKUFSPGNBJMMHA-UHFFFAOYSA-N
-rxn:4:214837:222584,O=C(C1CN(c2ncc(-c3ccc(OCCCN4CCNCC4)c(F)c3)cc2Cl)CCO1)N1CCSCC1,LZCPRLOCYCZMOR-UHFFFAOYSA-N
-rxn:4:214839:223787,CN1CCN(CCCOc2ccc(-c3cnc(N4CCOC(C(=O)N5CCSCC5)C4)c(F)c3)cc2F)CC1,WZTHGWVGKVBAPH-UHFFFAOYSA-N
-rxn:4:214862:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cncc(C(=O)N4CCCN(C5CCSC5)CC4)c3)ccn2)CC1,FTCGVJDBZFYNOU-UHFFFAOYSA-N
-rxn:4:214867:223831,COc1ccc(-c2cnc(N3CCOC(C(=O)N4CCCC4)C3)c(C)c2)cc1S(=O)(=O)N1CCC(C)CC1,YENREUOHJYNGIO-UHFFFAOYSA-N
-rxn:4:214880:222584,Cc1cc(-c2ccc(OCCCN3CCNCC3)c(F)c2)cnc1N1CCOC(C(=O)N2CCOCC2)C1,JFPHXQIXSQNAOB-UHFFFAOYSA-N
-rxn:4:215025:223576,CC(C)(C)OC(=O)N1CCC(Oc2cccc(-c3nn(C(=O)c4c(Cl)cccc4C(F)(F)F)c4cccnc34)c2)CC1,SGKDUPUWPUUPKU-UHFFFAOYSA-N
-rxn:4:215056:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(CSC4=NN5CCCC(=O)N=C5S4)cc3)c(F)cc2C)CC1,OFKOPOWSOIESJS-UHFFFAOYSA-N
-rxn:4:215056:225218,CC1CCCN(c2ncc(-c3ccc(CSC4=NN5CCCC(=O)N=C5S4)cc3)cc2Cl)C1,PPQZVDQGWXDAGC-UHFFFAOYSA-N
-rxn:4:215059:224319,Cc1cc(S(=O)(=O)N2CCCCC2)ccc1-c1cnn2c1CN(C(=O)OC(C)(C)C)CC2,PFMQWIMQKNXTBL-UHFFFAOYSA-N
-rxn:4:215104:222823,CC(C)(C)NS(=O)(=O)c1ccc(-c2ncn3c2CCN(C(=O)OC(C)(C)C)CC3)c(F)c1,UZKSNDQWHGWBQY-UHFFFAOYSA-N
-rxn:4:215130:223823,COc1cc2c(cc1OC)CN(c1ncc(-c3cnn(C4CCN(C(=O)OC(C)(C)C)CC4)c3)cn1)CC2,YMHJLUNPMWAOOB-UHFFFAOYSA-N
-rxn:4:215148:224961,CC(C)(C)OC(=O)N1Cc2cnc(-c3ccc(O[Si](C)(C)C(C)(C)C)cc3)n2CC1(C)C,RBQLWNYCAIUJRS-UHFFFAOYSA-N
-rxn:4:215184:223539,COc1ccc(-c2ccccc2S(=O)(=O)N2C3CCC2CC(n2cccn2)C3)cc1S(=O)(=O)N1CCC2(CC1)OCCO2,NUIVTHHCQXGJOR-UHFFFAOYSA-N
-rxn:4:215184:224010,COc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1ccccc1S(=O)(=O)N1C2CCC1CC(n1cccn1)C2,DSMMVIGJZCNACK-UHFFFAOYSA-N
-rxn:4:215197:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1ccccc1S(=O)(=O)N1CCC2CN(c3ccccn3)CC21,VFMXGFNPLMCMGB-UHFFFAOYSA-N
-rxn:4:215201:224655,CC(C)(C)OC(=O)N1CCC2(CC1)CCn1c(-c3ccc(O[Si](C)(C)C(C)(C)C)cc3F)cnc12,CYEHMWMVEQHDAR-UHFFFAOYSA-N
-rxn:4:215214:228205,CN(C)c1ccc(-c2cnc3n2CC2(COCCN(C(=O)OC(C)(C)C)C2)C3)cc1Cl,LCAINEJUAMHMMF-UHFFFAOYSA-N
-rxn:4:215216:223175,CCS(=O)(=O)Nc1cccc(-c2ccc3nc(N4CCCC(C(=O)N5CCOCC5)C4)sc3c2)c1,BYXDLLIVCXPQLG-UHFFFAOYSA-N
-rxn:4:215228:222823,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc3nc(N4CCN(C(=O)C5CCCCC5)CC4)sc3c2)c(F)c1,VJIWFTKJIVXTFR-UHFFFAOYSA-N
-rxn:4:215249:224379,CN1CCN(S(=O)(=O)c2ccccc2-c2ccc(CSC3=Nc4ccccc4C4=NC(=O)CN34)cc2)CC1,LEUVACJPCGFBFF-UHFFFAOYSA-N
-rxn:4:215297:224763,CC(=O)N1CCc2c([nH]c3ccccc23)C12C(=O)N(CC(C)C)c1ccc(-c3cc(Cl)ccc3C(=O)N3CCOCC3)cc12,YOHSZKOAERRATA-UHFFFAOYSA-N
-rxn:4:215298:226496,CCN(CC)c1cc(F)c(-c2ccc3c(c2)C2(C(=O)N3C)c3[nH]c4ccccc4c3CCN2C(=O)CC(C)C)cn1,SOBFCAIPQOIHFI-UHFFFAOYSA-N
-rxn:4:215304:224163,Cc1ccc(C2=NN3C(C2)c2cc(-c4ccc5c(cnn5C5CCCCO5)c4C)ccc2OC32CCN(Cc3ccccc3)CC2)cc1,BFFSKIUBAHXRDI-UHFFFAOYSA-N
-rxn:4:215772:223596,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)ccc2-c2cncc(N3CCC(C#N)CC3)c2)CC1,OOQCZEABCSBHKR-UHFFFAOYSA-N
-rxn:4:215781:223577,Cc1n[nH]c(CN2CCOCC2)c1-c1ccc(OC2CCN(C(=O)OC(C)(C)C)CC2)cc1,CRYQRTRPQCGSKH-UHFFFAOYSA-N
-rxn:4:215789:223640,CCOC12C(=O)c3cc(F)cc(-c4cncc([N+](=O)[O-])c4N4CCCCC4)c3C(=O)C1C2(C)C,SZNWIZUYPOIOEW-UHFFFAOYSA-N
-rxn:4:215803:222747,O=C(NCC1CCCO1)c1ccc(-c2cnc(N3CCC(F)(F)CC3)c([N+](=O)[O-])c2)cc1,LQBNAMAVPYILRO-UHFFFAOYSA-N
-rxn:4:215886:223602,CC1CCN(c2ncc(-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3Cl)cc2[N+](=O)[O-])CC1,UTNSCYXRQIMSPE-UHFFFAOYSA-N
-rxn:4:215896:223595,CN1CCN(c2ccc([N+](=O)[O-])cc2-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c(F)c2)CC1,QQCBBDLGODRBNR-UHFFFAOYSA-N
-rxn:4:215912:222393,CS(=O)(=O)N1CCN(c2ncc(-c3cccc(C(=O)N[C@H]4CC[C@H](O)CC4)c3)cc2Cl)CC1,XCCUJCRBADCPDS-MXVIHJGJSA-N
-rxn:4:215915:222678,CN1CCN(c2cc(C(F)(F)F)c(-c3ccc(CNC(=O)OC(C)(C)C)c(F)c3)cn2)CC1,NVTSMAQYVNRKFX-UHFFFAOYSA-N
-rxn:4:215924:223606,CC1CCN(C(=O)c2cnn(C)c2-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c(F)c2)CC1,PYZNTUAEZNLEKR-UHFFFAOYSA-N
-rxn:4:215940:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(N4CCC(N(C)C)CC4)cn3)c(F)c2)CC1,DYDMUFMPDTVZES-YHBQERECSA-N
-rxn:4:215955:223785,CCN1CCN(CCOc2ccc(-c3cnccc3N3CCC(N(C)C)CC3)cc2Cl)CC1,UHOGHRCKUMWZCJ-UHFFFAOYSA-N
-rxn:4:215987:224481,CC1CCCCN1c1cc(C(C)(C)C)nc(-c2ccc(OCCCN3CCCC3)cc2)n1,PNHXBRPGEQRPPA-UHFFFAOYSA-N
-rxn:4:217287:223480,Cc1cc(-c2ccc(C#N)n3ccnc23)cc(C)c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,LHTFVHLVAVFDNQ-UHFFFAOYSA-N
-rxn:4:217865:222465,C=C1CC2CCC(C1)N2c1ncc(-c2cc(C3CCCCC3)nc(C3CCCNC3)c2)cn1,HKXXOLZOZYMSGS-UHFFFAOYSA-N
-rxn:4:217906:224056,CCC[C@H]1CC[C@H](c2ccc(-c3ccc4c(c3)C3CC(c5ccccc5)=NN3C3(CCN(C)CC3)O4)c(F)c2)CC1,DZKFPTPHBBFEFF-GREASCKRSA-N
-rxn:4:217906:224061,CCCC1CCC(c2ccc(-c3ccc4c(c3)C3CC(c5ccccc5)=NN3C3(CCN(C)CC3)O4)c(F)c2)CC1,DZKFPTPHBBFEFF-UHFFFAOYSA-N
-rxn:4:217907:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3ccc4c(c3)C3CC(c5ccc(Cl)cc5)=NN3C3(CCN(C)CC3)O4)cc2)CC1,YJNIZAFRFCCTMJ-WKCPBCFCSA-N
-rxn:4:217907:224424,CCCC1CCC(c2ccc(-c3ccc4c(c3)C3CC(c5ccc(Cl)cc5)=NN3C3(CCN(C)CC3)O4)cc2)CC1,FDIBYTPCVOSCJI-UHFFFAOYSA-N
-rxn:4:217907:224425,CCCC1CCC(c2ccccc2-c2ccc3c(c2)C2CC(c4ccc(Cl)cc4)=NN2C2(CCN(C)CC2)O3)CC1,COMZKZIJVYJBGN-UHFFFAOYSA-N
-rxn:4:218567:223530,CN(CC1CN(C(=O)OC(C)(C)C)C1)c1cnc(-c2cc(F)ccc2CN2CCN(C(=O)OC(C)(C)C)CC2)cn1,YGUWRSASQCNAGM-UHFFFAOYSA-N
-rxn:4:218581:224329,O=C1CCN(C(=O)c2ccc(-c3cnc(OCC4CCN(C(=O)Cc5cccnc5)CC4)nc3)cc2F)CC1,WIAQMBQAGJBOGP-UHFFFAOYSA-N
-rxn:4:218589:224462,N#Cc1ccc(S(=O)(=O)N2CCCC(COc3ncc(-c4ccc(C5CCN(C6CC6)CC5)cc4)cn3)C2)cc1,ZCCFYXTVDVAWMX-UHFFFAOYSA-N
-rxn:4:218606:225172,COc1ncccc1C(=O)N1CCCC(COc2ncc(-c3cc(CN4CCOCC4)ccc3F)cn2)C1,OLISGYOETMEYEA-UHFFFAOYSA-N
-rxn:4:218666:223034,CC(C)(C)NC(=O)c1cncc(-c2cncc(C(=O)N3CCC(COc4ccc(C(C)(C)C)nn4)C3)c2)c1,QBLCKHDBHNCRDM-UHFFFAOYSA-N
-rxn:4:218711:223429,CC(C)(C)OC(=O)N1CCN(C2CCN(c3ccc([N+](=O)[O-])cc3-c3ccnc4[nH]ncc34)CC2)CC1,OJYKCXIJHNPYAZ-UHFFFAOYSA-N
-rxn:4:218711:226798,CC(C)(C)OC(=O)N1CCN(C2CCN(c3ccc([N+](=O)[O-])cc3-c3cnc(-n4cccn4)c(Cl)c3)CC2)CC1,JIDWELWXEDKPPC-UHFFFAOYSA-N
-rxn:4:218718:223898,COC(=O)Cc1c(C(=O)OC)nnc2c(-c3ccc(-c4ccc(N(C(=O)OC(C)(C)C)C(C)C)cc4)cc3)c(C)nn12,DZZYALADCWEDFC-UHFFFAOYSA-N
-rxn:4:218754:225300,CC(C)(C)OC(=O)N1CCC(n2c(=O)c3scc(-c4ccc(OC5CCOCC5)nc4F)c3n(CC#N)c2=O)CC1,BRGJVUCMIGACEU-UHFFFAOYSA-N
-rxn:4:218769:225518,CCCCCOc1ncc(C)cc1-c1ccc2c(ccn2CC(=O)N2CCN(CC(=O)N3CCCC3)CC2)c1,OIFDXMNEGGOSCN-UHFFFAOYSA-N
-rxn:4:218772:223739,CC(C)(C)[Si](C)(C)Oc1ccc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCOCC4)CC3)c2)c2ccccc12,GSMQZQVKHAYJRD-UHFFFAOYSA-N
-rxn:4:218778:223884,Cc1cc(Cn2c(N3CC4(CN(C(=O)OC(C)(C)C)C4)C3)nc3c(-c4ccc5c(c4)CCN(C(=O)OC(C)(C)C)C5)cc(Cl)cc32)cc(C)c1F,OTVBIVYJJSTJKV-UHFFFAOYSA-N
-rxn:4:218814:223898,CC(C)N(C(=O)OC(C)(C)C)c1ccc(-c2cccc(-n3nnn(CC(=O)OC(C)(C)C)c3=O)c2)cc1,HXEWRCSTXMIFGX-UHFFFAOYSA-N
-rxn:4:218867:225947,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3cnc(N4CCN(C)CC4)nc3)c2)no1,YKWONHPYKSYTQM-UHFFFAOYSA-N
-rxn:4:218867:227613,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3cnn(C4CCOCC4)c3)c2)no1,RIHVGMYEFRSVHE-UHFFFAOYSA-N
-rxn:4:218894:224243,CC1CCCCN1C(=O)c1cc(F)cc(-c2cnc(N3CCC(COc4ccncc4Cl)CC3)c(C#N)c2)c1,FSOUNYVPJIXUKL-UHFFFAOYSA-N
-rxn:4:218905:224392,Cc1nc(CN2CCCC(COc3ncc(-c4cc(S(=O)(=O)N5CCOCC5)ccc4C)cn3)C2)co1,YLVSWAOJTOMRGP-UHFFFAOYSA-N
-rxn:4:218963:224786,Cn1ncc(-c2cc(C(F)(F)F)nc3ccc(F)cc23)c1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1,RFUDPEVCYGHCRS-UHFFFAOYSA-N
-rxn:4:218971:224196,CCN1CCN(Cc2cc(F)cc(-c3cnc(OCC4CCN(C(=O)c5sc(C)nc5C)CC4)nc3)c2)CC1,GDHWLJYBQABXBR-UHFFFAOYSA-N
-rxn:4:218994:223480,Cc1nc(C)c(CN2CCCC(COc3ncc(-c4cc(C)c(S(=O)(=O)N5CCN(C(=O)OC(C)(C)C)CC5)c(C)c4)cn3)C2)s1,VDOPBFZYMVDRIJ-UHFFFAOYSA-N
-rxn:4:218997:224759,Cc1noc(C)c1CN1CCCC(COc2ncc(-c3cc(F)cc(C(=O)N4CCOCC4)c3)cn2)C1,IQSSIKXIYJUSMC-UHFFFAOYSA-N
-rxn:4:219000:223832,COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1-c1ccc(S(=O)(=O)N2CCN(CCn3ncccc3=O)CC2)cc1,HKLGSGXIESOMTM-UHFFFAOYSA-N
-rxn:4:219045:225357,CCOc1cc(-c2ccccc2C(=O)N2CCN(CCn3nc(C)cc3C)CC2)c(F)c(C(F)(F)F)c1,UPLKQOOKYCRDGG-UHFFFAOYSA-N
-rxn:4:219048:223830,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(S(=O)(=O)N4CCC(N(c5ccncn5)C5CC5)CC4)cc3)ccc2C)CC1,SKIYNDGMGNPIFV-UHFFFAOYSA-N
-rxn:4:219116:223832,COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1-c1cnn(CC2CN(C(=O)Cc3cn(C)c4ccccc34)C2)c1,ADSSXCZAGAYHKG-UHFFFAOYSA-N
-rxn:4:219120:222546,O=C(c1cncc(-c2ccc(OCCNC3CCCCC3)c(F)c2)c1)N1CC2CCCC2(COc2ncc(F)cn2)C1,XAVDOEBQMSUSAW-UHFFFAOYSA-N
-rxn:4:219155:224189,COc1cc(-c2cncc(C(=O)N3CC4CCCC4(COc4ncc(C)cn4)C3)c2)ccc1O[Si](C)(C)C(C)(C)C,OUTUSVIPWABKTH-UHFFFAOYSA-N
-rxn:4:219184:225875,CCCN1CCN(C(=O)c2cc3n(n2)CC(c2ccc(-c4ccc(N5CCOCC5)cc4Cl)cc2)OC3)CC1,KJDUGZHMIJBLRH-UHFFFAOYSA-N
-rxn:4:219354:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1cnc(N2CCC(N(C)S(=O)(=O)C3CC3)C2)nc1,RTCHLSWUMPQXJR-UHFFFAOYSA-N
-rxn:4:219370:223098,CC(=O)NS(=O)(=O)c1ccc(-c2cnn(C3CCCN(C(=O)OC(C)(C)C)C3)n2)cc1,VCJFVJODGCELSJ-UHFFFAOYSA-N
-rxn:4:219383:223847,CCCCCC1CCC(c2ccc(-c3cnc(OCC4CCCN(c5ccncc5Cl)C4)nc3)cc2)CC1,DEEGZNQDNLKVIU-UHFFFAOYSA-N
-rxn:4:219383:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnc(OCC4CCCN(c5ccncc5Cl)C4)nc3)cc2)CC1,DEEGZNQDNLKVIU-PECFQXNXSA-N
-rxn:4:219390:223983,CCN1CCN(S(=O)(=O)c2ccccc2-c2cnc(N3CCN(C(=O)c4ccccc4)CC3)c(C#N)c2)CC1,OIALFZOUZFDVJR-UHFFFAOYSA-N
-rxn:4:219403:223160,CCNC(=O)c1ccc(-c2cnn(CC3CN(C4CCN(C5CC5)C4=O)C3)c2)c(F)c1,CUWVQAATZHQKHZ-UHFFFAOYSA-N
-rxn:4:219404:223932,CC(C)(C)OC(=O)N1CCN(c2cncc(-c3cc4c(Cl)cccc4n3C(=O)OC(C)(C)C)n2)CC1,KWNJCESAGGRWPB-UHFFFAOYSA-N
-rxn:4:219456:223183,CNS(=O)(=O)c1ccc(-c2cnn(C3CCN(C(=O)OC(C)(C)C)CC3C)n2)c(C)c1,IZUYGPJCMAOVMR-UHFFFAOYSA-N
-rxn:4:219456:224158,CC1CN(C(=O)OC(C)(C)C)CCC1n1ncc(-c2ccc3c(ccn3C(=O)OC(C)(C)C)c2)n1,NWVZCDNCTVSAFP-UHFFFAOYSA-N
-rxn:4:219471:222682,COc1cccc(-c2cnc(SC)nc2N2CCOC(C(=O)N3CCCC3)C2)c1NC(=O)OC(C)(C)C,WNJHLWFXNBEXGB-UHFFFAOYSA-N
-rxn:4:219473:226479,CCCCOc1nccc(-c2cnc(N3CCOC(C(=O)N4CCCC4)C3)nc2OC)c1Cl,DLAZFQDSDSPGCF-UHFFFAOYSA-N
-rxn:4:219475:222632,Cn1nc(C(=O)N2CCC(Oc3ncccc3-c3cccc(C(=O)NCCN4CCCC4)c3)CC2)ccc1=O,WMXFHHNZPWXKFK-UHFFFAOYSA-N
-rxn:4:219489:224082,CCC(C(=O)OC(C)(C)C)c1cccc(-c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2C)c1,ZKYGCJGLGXPMNK-UHFFFAOYSA-N
-rxn:4:219498:225313,COc1nc(N2CCOC(C(=O)N3CCOCC3)C2)ncc1-c1ccc(N2CCN(C)CC2)nc1F,QAXVTJBPWVYEBA-UHFFFAOYSA-N
-rxn:4:219530:222634,O=C1C(N2CCC(Oc3ncc(-c4ccc(OCCNC5CCCC5)c(F)c4)cn3)CC2)CCN1C1CC1,BYLQSIQJYHZWTA-UHFFFAOYSA-N
-rxn:4:219535:222771,Cn1cc(S(=O)(=O)N2CCCN(C(=O)c3ccccc3-c3ccc(F)c(C(=O)NC4CCCC4)c3)CC2)cn1,HRSIGULZZCXIEJ-UHFFFAOYSA-N
-rxn:4:219538:225242,N#Cc1cc(-c2cnc(Cl)c(-c3ccc(F)cc3)c2)cnc1N1CCC(C(=O)N2CCC(F)(F)CC2)CC1,WDWGJMXHTJLJFV-UHFFFAOYSA-N
-rxn:4:219555:224336,Cn1nc(C2CCN(C(=O)c3ccc(-c4ccc(N5CCCCC5)cc4C(F)(F)F)o3)CC2)n(-c2ccccc2)c1=O,NMHJUZPLZIQHFB-UHFFFAOYSA-N
-rxn:4:219639:223501,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3ccc4nc(C5CCN(C(=O)OC(C)(C)C)C5)nn4c3)cc2Cl)CC1,CBOSXEXFRHFGRU-UHFFFAOYSA-N
-rxn:4:219639:223582,COC(=O)c1ccc2cc(-c3ccc4nc(C5CCN(C(=O)OC(C)(C)C)C5)nn4c3)n(C(=O)OC(C)(C)C)c2c1,GROWYDOVSHFWAS-UHFFFAOYSA-N
-rxn:4:219653:222634,CC(C)(C)OC(=O)N1CCN(c2nc3ccc(-c4ccc(OCCNC5CCCC5)c(F)c4)nc3s2)CC1,WBFXXNJNZBGCDA-UHFFFAOYSA-N
-rxn:4:219653:224672,CCN1CCN(c2ccc(-c3ccc4nc(N5CCN(C(=O)OC(C)(C)C)CC5)sc4n3)c(Cl)c2)CC1,SEINGHRHIYHIAL-UHFFFAOYSA-N
-rxn:4:219678:223022,COCCNC(=O)c1ccc(-c2ccccc2S(=O)(=O)N2CC3CN(c4ccc(C#N)cn4)CC3C2)cc1,BARPOZDJMNZVSQ-UHFFFAOYSA-N
-rxn:4:219688:223662,CC(C)(C)OC(=O)N1CCC(c2nc3ccc(-c4ccc(C(=O)OCc5ccccc5)cc4[N+](=O)[O-])cn3n2)CC1,OLNLLMPDJSUIHY-UHFFFAOYSA-N
-rxn:4:219689:224280,CC(C)(C)OC(=O)N1CCN(c2ccc3ncc(-c4cc5c(s4)CCN(C(=O)OC(C)(C)C)C5)n3c2)CC1,XUOGNVAKTNFTBA-UHFFFAOYSA-N
-rxn:4:219691:223832,COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1-c1cnn2c(Cl)cc(C3CCCN(C(=O)OC(C)(C)C)C3)nc12,VCADBZBUCNOGQX-UHFFFAOYSA-N
-rxn:4:219707:227495,CCN(C)c1cc(-c2c(Cl)cc3c(N4CCN(C(=O)OC(C)(C)C)CC4)ncnc3c2F)c(F)cn1,RVUNXHFDVOQOPJ-UHFFFAOYSA-N
-rxn:4:219721:222723,O=C(c1cncc(-c2cccc(NS(=O)(=O)N3CCOCC3)c2)c1)N1CCC(Cn2cnc3ccccc3c2=O)CC1,RMYFDLPRNGXQNE-UHFFFAOYSA-N
-rxn:4:219762:224316,CC(=O)C1=C(c2ccc(-c3cc(F)cc(C(=O)N4CCN(C)CC4)c3)cc2)N(C(C)=O)n2c(nnc2C2CCCCC2)S1,WWWAVXFWDSCSRO-UHFFFAOYSA-N
-rxn:4:219784:223568,CCC(=O)N1c2ccccc2-c2nnc(SC)nc2OC1c1ccc(-c2cnc3c(ccn3[Si](C(C)C)(C(C)C)C(C)C)c2Cl)cc1,OBVCAKCJKNVDOK-UHFFFAOYSA-N
-rxn:4:219792:223822,CC(C)(C)COC(=O)c1ccc(C(F)(F)F)cc1-c1ccc2c(c1)c1nc3ccccc3nc1n2CCCN1C(=O)c2ccccc2C1=O,PJYSLOZYFKAEBK-UHFFFAOYSA-N
-rxn:4:219867:223534,CCN1CCN(c2ncc(-c3cc(OC4CCN(C(=O)OC(C)(C)C)CC4)ncc3F)cc2[N+](=O)[O-])CC1,DYIZEIUNPCQNBM-UHFFFAOYSA-N
-rxn:4:219878:222462,CC(C)(C)OC(=O)Nc1nc2cc(F)c(-c3cnc(N4CCN(S(=O)(=O)C5CC5)CC4)nc3)c(F)c2s1,KZEYHWUIFKBDDP-UHFFFAOYSA-N
-rxn:4:219892:223531,CC(=O)N(C)C1CCN(c2ncc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)c(Cl)c3)cn2)CC1,VQKFKOLLGDDANY-UHFFFAOYSA-N
-rxn:4:219908:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1ccc(-c2nc(C#N)c(N3CCCN(C)CC3)o2)o1,SLKMZRMJVVFBPV-UHFFFAOYSA-N
-rxn:4:219910:223728,CCCCCC1CCC(c2ccc(-c3cnccc3OC3CCN(c4nccn(C)c4=O)C3)c(F)c2)CC1,OXGCOURSHYJPBN-UHFFFAOYSA-N
-rxn:4:219951:223542,CN1CCN(S(=O)(=O)c2cc(-c3cccc(C(=O)N4CCN(c5nccn5C)CC4)c3)ccc2OC(F)(F)F)CC1,CJZYAZQKBMARNM-UHFFFAOYSA-N
-rxn:4:219959:224356,CC(C)(C)OC(=O)n1c(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)nc2)cc2sc(Cl)cc21,WRQBZZDYEZGCIC-UHFFFAOYSA-N
-rxn:4:219988:222861,CCCCNC(=O)c1cc(-c2cnc(N3CCCC(C(=O)N4CCOCC4)C3)nc2)ccc1F,KYHBHHVDYWHXKU-UHFFFAOYSA-N
-rxn:4:219991:226438,CN1C(=O)CN(C2CCN(C(=O)c3cncc(-c4cnc(C5CCCC5)cc4F)c3)CC2)C1=O,CEZXPVPFZJTIAD-UHFFFAOYSA-N
-rxn:4:220041:223528,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3nnn4c3CN(C(=O)OC(C)(C)C)CC4)ccc2F)CC1,ZEJKXWDCTMRGQZ-UHFFFAOYSA-N
-rxn:4:220133:224327,CC1CCCN(S(=O)(=O)c2cccc(-c3ccccc3S(=O)(=O)N3C4CCC3CC(n3nccn3)C4)c2)C1,WGGMCLSHGRNDSZ-UHFFFAOYSA-N
-rxn:4:220136:222907,CC(C)(C)OC(=O)Nc1cnccc1-c1ccc2ncnc(N3CCN(S(=O)(=O)C4CC4)CC3)c2c1,UFSMTNRUPJNVMY-UHFFFAOYSA-N
-rxn:4:220149:224349,O=C(C1CC(=O)N(c2[nH]nc3cc(-c4ccc(N5CCCCC5)c(C(F)(F)F)c4)ccc23)C1)N1CCOCC1,PMYFFYLHQKYHAS-UHFFFAOYSA-N
-rxn:4:220156:223580,COC(=O)c1ccc2c(c1)cc(-c1ccc(C3Cn4nnc(C(=O)N5CCSCC5)c4CO3)cc1)n2C(=O)OC(C)(C)C,AYQMSRFPHNHSQI-UHFFFAOYSA-N
-rxn:4:220158:224146,Cc1cc(O[Si](C)(C)C(C)(C)C)cc(C)c1-c1ccccc1S(=O)(=O)N1CC2CN(c3cnccn3)CC2C1,MDGAKFQKXMOSOM-UHFFFAOYSA-N
-rxn:4:220159:223728,CCCCCC1CCC(c2ccc(-c3ccc4nc(N5CCC(c6nnc(C7CC7)o6)CC5)sc4c3)c(F)c2)CC1,YRGWAPCCFKLUMV-UHFFFAOYSA-N
-rxn:4:220162:223939,CSc1ncc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CCO3)c(N2CC(N3CC4CCCC4C3)C2)n1,NQNKVINKKLNGFB-UHFFFAOYSA-N
-rxn:4:220204:226123,COCc1ccc(-c2ccc3ncnc(N4CCOC(C(=O)N5CCOCC5)C4)c3c2)cc1C1CC1,WGIHVMOGXDFRDB-UHFFFAOYSA-N
-rxn:4:220225:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3ccc4ncnc(N5CCCC(C(=O)N6CCOCC6)C5)c4c3)c2Cl)CC1,TWJOJGYXUVJTTL-UHFFFAOYSA-N
-rxn:4:220426:222948,OC1CCN(c2ncc(-c3cnc(N4CCOCC4)nc3N3CCOCC3)c(Cl)n2)CC1,WDHREJJAYVPJPT-UHFFFAOYSA-N
-rxn:4:220430:222853,OC1CCN(Cc2ccc(-c3cnc(N4CCCN(C5CCSC5)CC4)nc3)cc2)CC1,HJIZHXCXCCLWRN-UHFFFAOYSA-N
-rxn:4:220451:223504,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnn(-c4nc5c(cc4C#N)CCC5)c3)cc2[N+](=O)[O-])CC1,FXTHFRUNTSGYBP-UHFFFAOYSA-N
-rxn:4:220808:223526,Cn1nc(-c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cc2)nc1N1CCCCC1,PWMUDQJGOXKNPG-UHFFFAOYSA-N
-rxn:4:220935:223533,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cnc4ccc(N5CCOCC5)nn34)c(F)c2)CC1,KBPYHFMQCDYOPR-UHFFFAOYSA-N
-rxn:4:221106:225727,CCOC(=O)c1ccc(OC)c(-c2cncc(C(=O)N3CCC(CN(C)c4nccnc4OC)CC3)c2)c1,RWGUSQQTKIDRMK-UHFFFAOYSA-N
-rxn:4:221114:228172,CCOc1ccc(-c2cccc(OCC)c2F)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N3CCCC3)n2)CC1,RMZZUAYSOORQPY-UHFFFAOYSA-N
-rxn:4:221115:224592,CCOc1ccc(-c2cc(C3(C#N)CCCCC3)ccc2F)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N3CCOCC3)n2)CC1,BKELXCSGXMBLCV-UHFFFAOYSA-N
-rxn:4:221117:223771,COc1ccc2c(c1)cc(-c1ccc3nc(N(CCN4CCOCC4)C(=O)c4cnccn4)sc3c1)n2C(=O)OC(C)(C)C,OOIVDLMIOSLLIH-UHFFFAOYSA-N
-rxn:4:221152:223523,CCN1CCN(S(=O)(=O)c2ccc(-c3cnc(OCC4CCCN(C(=O)c5snnc5C)C4)nc3)c3ccccc23)CC1,UWVIWINACXBTRI-UHFFFAOYSA-N
-rxn:4:221152:223529,Cc1nnsc1C(=O)N1CCCC(COc2ncc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)c(F)c3)cn2)C1,BZTXXSFIXSNPHS-UHFFFAOYSA-N
-rxn:4:221169:223831,COc1ccc(-c2cnc(OCC3CCCN(S(=O)(=O)c4cnn(C)c4)C3)nc2)cc1S(=O)(=O)N1CCC(C)CC1,LJQRPZMTXURKKW-UHFFFAOYSA-N
-rxn:4:221180:224101,Cc1cc(C(=O)N2CCC(COc3ncc(-c4cccc(OCCN5CCC(C)CC5)c4)cn3)CC2)nn1C,COFXOIKFPAGXKO-UHFFFAOYSA-N
-rxn:4:221182:223935,COCCN1C(=O)CN(C2CCN(c3ncc(-c4cc5cccc(F)c5n4C(=O)OC(C)(C)C)cn3)CC2)C1=O,GZWXDHRBKLYRMK-UHFFFAOYSA-N
-rxn:4:221184:224915,Cc1cc(C)c(C#N)c(N2CCCC(COc3ncc(-c4ccc(N5CCCCC5C)cc4C)cn3)C2)n1,AOGJSRJNDNVQSO-UHFFFAOYSA-N
-rxn:4:221185:222614,Cc1cc(C)c(C#N)c(N2CCC(COc3ncc(-c4ccc(S(=O)(=O)NC5CC5)cc4C(F)(F)F)cn3)CC2)n1,YNASRHMLXIGJIN-UHFFFAOYSA-N
-rxn:4:221197:222909,CC(C)(C)OC(=O)Nc1cc(-c2cccc(N3CC(C(=O)N4CC(c5nc(-c6ccncc6)no5)C4)CC3=O)c2)ccn1,YOGGHZMRIIAWOA-UHFFFAOYSA-N
-rxn:4:221201:224825,CON(C)C(=O)c1cc(-c2ccc(-c3n[nH]cc3CN3CCN(c4ccc(C(F)(F)F)cn4)[C@H](C)C3)cc2)cc([N+](=O)[O-])c1,LOPSKXLKQGROBT-LJQANCHMSA-N
-rxn:4:221205:225979,Clc1cc(-c2ccc(CCN3CCN(c4ccnc(N5CCOCC5)n4)CC3)cc2)cnc1N1CCOCC1,BZCXLDVGCLVZIX-UHFFFAOYSA-N
-rxn:4:221245:222546,Cc1nc2ccc(OCC3CCN(C(=O)c4cncc(-c5ccc(OCCNC6CCCCC6)c(F)c5)c4)CC3)nn2c1C,CZBIEMJFJFCWPC-UHFFFAOYSA-N
-rxn:4:221346:223847,CCCCCC1CCC(c2ccc(-c3cnc(OCC4CCCN(c5ncncc5F)C4)nc3)cc2)CC1,UPAOFIWZPGERDZ-UHFFFAOYSA-N
-rxn:4:221347:223847,CCCCCC1CCC(c2ccc(-c3cnc(OCC4CCN(c5ncc(F)cn5)CC4)nc3)cc2)CC1,AWAMVNHXHSPLMR-UHFFFAOYSA-N
-rxn:4:221377:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2cnc(N3CCC(N(C)c4ccccn4)CC3)c(C#N)c2)cc1,ZEEYGKWAEBUQFR-UHFFFAOYSA-N
-rxn:4:221388:223842,Cc1cc(N2CCCC(COc3ncc(-c4cc(F)c(F)cc4S(=O)(=O)N4CCC(C)CC4)cn3)C2)nc(C)n1,VYQFCLKSSGGTMR-UHFFFAOYSA-N
-rxn:4:221395:223577,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3cnc(N4CCC(Cn5cnc(C6CC6)cc5=O)CC4)nc3)cc2)CC1,JIJDBKSCUHBDMF-UHFFFAOYSA-N
-rxn:4:221395:223689,CCN1CCN(S(=O)(=O)c2cc(-c3cnc(N4CCC(Cn5cnc(C6CC6)cc5=O)CC4)nc3)ccc2OC)CC1,OLKIWHNSPUFMHN-UHFFFAOYSA-N
-rxn:4:221395:223830,CCN1CCN(S(=O)(=O)c2cc(-c3cnc(N4CCC(Cn5cnc(C6CC6)cc5=O)CC4)nc3)ccc2C)CC1,DQMXDYMNNQBDLF-UHFFFAOYSA-N
-rxn:4:221422:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(Cl)c(C(=O)N4CCN(c5ccc(N6CCOCC6)nn5)CC4)c3)c2)CC1,PJOVHPVFBFJDDQ-UHFFFAOYSA-N
-rxn:4:221423:223041,O=C(NC1CC1)c1ccc(F)c(-c2ccccc2CN2CCN(c3ccc(N4CCOCC4)nn3)CC2)c1,RLPCHCKMCDOOFQ-UHFFFAOYSA-N
-rxn:4:221425:224489,CC(C)N(Cc1ccc(F)cc1-c1cccc(CN2CCN(c3nccc(N4CCOCC4)n3)CC2)c1)C(C)C,SSXJWQPKJGMKGZ-UHFFFAOYSA-N
-rxn:4:221436:223661,O=C(OCc1ccccc1)c1cc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCCCC5)nn4)CC3)cc2)cc([N+](=O)[O-])c1,XLORPZMQFUCIHM-UHFFFAOYSA-N
-rxn:4:221437:227252,CCCOc1cc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCCCCC5)nn4)CC3)o2)ccc1Cl,MZLUTTBLJUHQGF-UHFFFAOYSA-N
-rxn:4:221444:222962,CCCCNC(=O)c1ccc(-c2ccccc2CN2CCN(c3nc(C)cc(N4CCOCC4)n3)CC2)cc1,YPVQUFOCURJJJV-UHFFFAOYSA-N
-rxn:4:221446:226843,Cc1cc(N2CCOCC2)nc(N2CCN(Cc3ccc(-c4ccc(C(=O)C(F)(F)F)nc4)cc3)CC2)n1,XYKNEYBHCUCYOR-UHFFFAOYSA-N
-rxn:4:221447:223142,Cc1cc(N2CCN(Cc3ccc(-c4ccc(C5CCCNC5)nc4)cc3)CC2)nc(N2CCOCC2)n1,OIFXWVTUYWPVDR-UHFFFAOYSA-N
-rxn:4:221449:223075,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(NS(=O)(=O)C5CC5)cc4)cc3)CC2)n1,SLFUAKBIBPSUII-UHFFFAOYSA-N
-rxn:4:221449:227710,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(OS(C)(=O)=O)cc4)cc3)CC2)n1,CARRHYNAFQPOKF-UHFFFAOYSA-N
-rxn:4:221453:226843,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4ccc(C(=O)C(F)(F)F)nc4)cc3)CC2)n1,QDFIYVIPUQMOGM-UHFFFAOYSA-N
-rxn:4:221455:227248,CCCOc1cc(Cl)cc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCCCCC5)nn4)CC3)cc2)c1,TYIDLDMWLBNGMC-UHFFFAOYSA-N
-rxn:4:221456:222723,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccc(NS(=O)(=O)N5CCOCC5)c4)cc3)CC2)n1,HPYGKGHACWAGHC-UHFFFAOYSA-N
-rxn:4:221456:226016,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(OCC(F)(F)F)cc4Cl)cc3)CC2)n1,PHFOTDOESMNIIU-UHFFFAOYSA-N
-rxn:4:221502:223608,O=S(=O)(c1cc(-c2cnccc2OC2CCN(c3nccn4nc(C5CC5)cc34)C2)ccc1OC(F)(F)F)N1CCOCC1,CAUGSLOAQRKGSP-UHFFFAOYSA-N
-rxn:4:221502:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnccc3OC3CCN(c4nccn5nc(C6CC6)cc45)C3)c(F)c2)CC1,SKJRJUTTYYTEHQ-MKAXWDIPSA-N
-rxn:4:221522:223602,COc1ccc2c(=O)n(CC3CCN(c4ncc(-c5ccnc(N6CCN(C(=O)OC(C)(C)C)CC6)c5Cl)cn4)CC3)cnc2c1,VZJGTMFENXJBLG-UHFFFAOYSA-N
-rxn:4:221535:222948,Cn1c(=O)c2c(nc(CN3CCOCC3)n2Cc2ccc(-c3cnc(N4CCC(O)CC4)nc3Cl)cc2)n(C)c1=O,PCPAWWINJNRKCP-UHFFFAOYSA-N
-rxn:4:221539:224330,CC1CN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(-c3ccc(Cl)c(C(=O)N4CCC(=O)CC4)c3)cc2)CC(C)O1,OMNUTSRKZRWFNZ-UHFFFAOYSA-N
-rxn:4:221553:223902,CCCCn1c(=O)c2c(nc3n2CCCN3c2ccc(-c3ccc(OCCN4CCC(C)CC4)c(F)c3)cc2)n(C)c1=O,DKXQMVWWSXHJKI-UHFFFAOYSA-N
-rxn:4:221641:223574,CC(C)(C)OC(=O)N1CCN(Cc2cccc(-c3cnc(N4CCC(n5nc(C6CC6)ccc5=O)CC4)nc3)c2)CC1,QEIWPWIFDMACIO-UHFFFAOYSA-N
-rxn:4:221718:222546,Cn1c(=O)c2c(nc(-c3ccc(OCCNC4CCCCC4)c(F)c3)n2CCN2CCCCC2)n(C)c1=O,KOYLWPMGEWXLBR-UHFFFAOYSA-N
-rxn:4:221827:223480,Cc1cc(-c2ccc(-c3ccnc4nc(N5CCOCC5)nn34)cc2)cc(C)c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,WHRREOXTUFJZJT-UHFFFAOYSA-N
-rxn:4:221836:224608,COC(=O)c1cc(OCC2CC2)cc(-c2cnc(N3CCCN(C4=NS(=O)(=O)c5ccccc54)CC3)nc2)c1,DBHQFWWYMJNLNY-UHFFFAOYSA-N
-rxn:4:221914:224672,CCOC(=O)N1CCN(C(=O)c2nnn(-c3ccc(-c4ccc(N5CCN(CC)CC5)cc4Cl)cc3)n2)CC1,RSDDFAQSPLWGAH-UHFFFAOYSA-N
-rxn:4:221940:224128,CN(C(=O)c1ccc(-c2cnc(OCC3CCN(Cc4nncn4C)CC3)nc2)cc1)C1CCCCC1,WOLCMTKEUJEINM-UHFFFAOYSA-N
-rxn:4:221972:222788,CC(C)(C)OC(=O)Nc1ccc(-c2cnc(OCC3CCCN(Cc4nnc5n4CCC5)C3)nc2)c(F)c1,MCUBDJUTEGYITD-UHFFFAOYSA-N
-rxn:4:222014:223637,CC(C)(C)OC(=O)N1CCCC(c2ccccc2-c2ccccc2C(=O)N2CCN(c3nnnn3-c3ccccc3)CC2)C1,AVLUXLOOWINKFT-UHFFFAOYSA-N
-rxn:4:222032:223992,Cc1ccc(-c2cnc(N3CCN(c4ccnc(N(C)C)n4)CC3)c(C(F)(F)F)c2)cc1S(=O)(=O)N1CCN(C)CC1,NWRHYADISIARQO-UHFFFAOYSA-N
-rxn:4:222033:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2cnc(N3CCN(c4cc(N(C)C)ncn4)CC3)c(C(F)(F)F)c2)cc1,SVQUNZXHYSPIED-UHFFFAOYSA-N
-rxn:4:222033:222860,CCCCNC(=O)c1ccc(F)c(-c2cnc(N3CCN(c4cc(N(C)C)ncn4)CC3)c(C(F)(F)F)c2)c1,ZPRDNQNVGWSQJO-UHFFFAOYSA-N
-rxn:4:222054:227205,CN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cccc6c5OCCCO6)o4)CC3)nn2)CC1,IJHPCXJCDHGXKE-UHFFFAOYSA-N
-rxn:4:222062:228311,CCCc1ncc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCN(C)CC5)n4)CC3)cc2)c(Cl)n1,LUDUTGCAKAMSRI-UHFFFAOYSA-N
-rxn:4:222083:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2cccc(-c3noc(CN4N=NC5C(=O)N(c6ccccc6)C(=O)C54)n3)c2)cc1,XNDSLHLVWWXULB-UHFFFAOYSA-N
-rxn:4:222084:223679,CCN1CCN(S(=O)(=O)c2c(C)cc(-c3ccc(-c4noc(CN5N=NC6C(=O)N(c7ccccc7)C(=O)C65)n4)cc3)cc2C)CC1,OXRYBRGXTFNYOO-UHFFFAOYSA-N
-rxn:4:222108:225784,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(CN7CCOCC7)nc6)cc5)no4)C3C2=O)cc1F,KVBZAOPQWUGVTL-UHFFFAOYSA-N
-rxn:4:222112:224359,CCN(CC)C(=O)c1cc(-c2cnc(N3CCC(COc4ccc5nc(C)c(C)n5n4)CC3)nc2)cc([N+](=O)[O-])c1,QPJHHHUNSPGVSH-UHFFFAOYSA-N
-rxn:4:222180:222694,N#Cc1ccc(N2CC3CCN(c4ncc(-c5cccc(S(=O)(=O)NC6CCCCC6)c5)cn4)C3C2)nc1,YKEBEBXRSHWBEA-UHFFFAOYSA-N
-rxn:4:222189:222546,Cc1nnc2ccc(N3CCCN(C(=O)c4ccc(-c5ccc(OCCNC6CCCCC6)c(F)c5)o4)CC3)nn12,RJAGYQOWSJEQCP-UHFFFAOYSA-N
-rxn:4:222192:222852,OC1CCN(Cc2cccc(-c3cnc(N4CCN(c5nc(C6CC6)nc6c5CCC6)CC4)nc3)c2)CC1,GMYSBLFPPQWZKE-UHFFFAOYSA-N
-rxn:4:222229:224394,Cc1ccc(-c2cnc(N3CCN(c4ncnc5c4CCCC5)CC3)nc2)cc1S(=O)(=O)N1CCOCC1,SYZPMQZYJXRXRW-UHFFFAOYSA-N
-rxn:4:222331:223936,CC(C)(C)OC(=O)n1c(-c2cnc(N3CCN(c4nccc(N5CCOCC5)n4)CC3)nc2)cc2c(F)cccc21,XYMKBGPZEOQBBB-UHFFFAOYSA-N
-rxn:4:222513:194275,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1cc2c(cc1C=C[N+](=O)[O-])OCCO2,IVYBSJHYSAXZAD-UHFFFAOYSA-N
-rxn:4:222523:175802,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc(CCC(=O)C(C)(C)C)cc2)c(C(F)(F)F)c1,WDYACJBIWHEWRX-UHFFFAOYSA-N
-rxn:4:222523:204473,CC(C)(C)NS(=O)(=O)c1ccc(-c2cnc3c(c2)c(Cl)cn3C(=O)OC(C)(C)C)c(C(F)(F)F)c1,IGFMWIIAQBOWPB-UHFFFAOYSA-N
-rxn:4:222682:194696,COc1cccc(-c2ccc3c(c2)CCCC3=NS(=O)C(C)(C)C)c1NC(=O)OC(C)(C)C,UKOICWRDGRAGNL-UHFFFAOYSA-N
-rxn:4:222820:197962,CC(C)(C)NS(=O)(=O)c1ccc(-c2cc3c(cc2[N+](=O)[O-])C(C)(C)CCC3(C)C)cc1F,NIDFQKRWTDQWEH-UHFFFAOYSA-N
-rxn:4:222881:174522,CC(C)[Si](C#Cc1ccc(-c2ccc(C(=O)NC(C)(C)C)cc2F)cc1)(C(C)C)C(C)C,HZEHRGIBVYMYHG-UHFFFAOYSA-N
-rxn:4:223092:219410,CN(C)S(=O)(=O)Nc1cccc(-c2cnc(OC3CCN(S(=O)(=O)N4CCOCC4)C3)nc2)c1,GHAOGWHEDXUFFN-UHFFFAOYSA-N
-rxn:4:223093:185371,CC(C)S(=O)(=O)Nc1cncc(-c2ccc(CC3CCN(C(=O)OC(C)(C)C)CC3)cc2)c1,LUCUSVYKUXXBKG-UHFFFAOYSA-N
-rxn:4:223570:174514,CC(C)[Si](Oc1cccc(-c2c(F)ncc3c2ccn3[Si](C(C)C)(C(C)C)C(C)C)c1)(C(C)C)C(C)C,BLGPESSOISTJFG-UHFFFAOYSA-N
-rxn:4:223570:185289,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3cccc(CN(C(=O)c4ccccc4F)C4CCS(=O)(=O)C4)c3)c(F)ncc21,UYJDOKFELNOYAL-UHFFFAOYSA-N
-rxn:4:223570:193958,CC1CCCC(C)N1S(=O)(=O)c1ccc(-c2c(F)ncc3c2ccn3[Si](C(C)C)(C(C)C)C(C)C)cc1,KPZMKRMGAGBUDK-UHFFFAOYSA-N
-rxn:5:176860:225976:225849,COC(=O)c1c(-c2ccnc(N3CCOCC3)c2F)ccc(OC)c1-c1cnc(N2CCCCC2)cc1F,ROOGCLUAZYTVDS-UHFFFAOYSA-N
-rxn:5:177185:223061:225976,CC(C)OC(=O)c1cc(-c2cc(C3CCNCC3)ncc2F)ccc1-c1ccnc(N2CCOCC2)c1F,YSJHDCWNRXUFQH-UHFFFAOYSA-N
-rxn:5:177185:223062:226583,CC(C)OC(=O)c1cc(-c2cnc(C3CCNCC3)cc2F)ccc1-c1ccc(CN2CCOCC2)s1,COJJCDPJWMTWTR-UHFFFAOYSA-N
-rxn:5:177373:227803:225976,CN(C)S(=O)(=O)n1nccc1-c1cc(-c2ccnc(N3CCOCC3)c2F)ccc1OCC1OCCO1,XHFNEDJEFHLYAN-UHFFFAOYSA-N
-rxn:5:177373:227804:223006,O=[N+]([O-])c1cc(-c2cc(-c3ccc(F)c(C4CCNCC4)c3)ccc2OCC2OCCO2)c([N+](=O)[O-])s1,QWDPOJUATAVZLF-UHFFFAOYSA-N
-rxn:5:177373:227804:223061,O=[N+]([O-])c1cc(-c2cc(-c3cc(C4CCNCC4)ncc3F)ccc2OCC2OCCO2)c([N+](=O)[O-])s1,SYCOTVNSKXWFDQ-UHFFFAOYSA-N
-rxn:5:177445:225976:226662,CC(C)=CCOc1ccc(-c2ccnc(N3CCOCC3)c2F)cc1-c1ccc(N2CCN(C)CC2)s1,JYEVMJYAZUILPO-UHFFFAOYSA-N
-rxn:5:177729:225438:223132,CC(c1ccc(-c2ccc(C(=O)OC(C)(C)C)c(-c3cccc(N4CCNCC4)c3)c2)cc1)N1CCCC1,KUQSPFVMIFBKFW-UHFFFAOYSA-N
-rxn:5:177729:226330:226422,CC(c1ccc(-c2ccc(C(=O)OC(C)(C)C)c(-c3cc(F)ccc3N3CCCC3)c2)s1)N1CCCC1,DBXVOSLASHSSMZ-UHFFFAOYSA-N
-rxn:5:177731:226330:226422,CC(c1ccc(-c2cc(-c3cc(F)ccc3N3CCCC3)ccc2C(=O)OC(C)(C)C)s1)N1CCCC1,DMAXFZHESRJRDZ-UHFFFAOYSA-N
-rxn:5:177732:223056:223132,CC(C)(C)OC(=O)c1ccc(-c2ccc(N3CCC(O)CC3)nc2)c(-c2cccc(N3CCNCC3)c2)c1,YGBWJXXRWMIYJP-UHFFFAOYSA-N
-rxn:5:177732:225438:225980,CC(c1ccc(-c2ccc(C(=O)OC(C)(C)C)cc2-c2cc(N3CCOCC3)ncc2F)cc1)N1CCCC1,FTPIDWGXADWZIL-UHFFFAOYSA-N
-rxn:5:177732:225439:223001,CC(c1cccc(-c2ccc(C(=O)OC(C)(C)C)cc2-c2cc(C3CCCNC3)ccc2F)c1)N1CCCC1,RXZGVLDOOVXUST-UHFFFAOYSA-N
-rxn:5:177732:225982:226330,CC(c1ccc(-c2cc(C(=O)OC(C)(C)C)ccc2-c2cnc(N3CCOCC3)cc2F)s1)N1CCCC1,ZWBSQSWGOYOKBO-UHFFFAOYSA-N
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-rxn:5:179629:226583:226661,COc1ccc(-c2ccc(CN3CCOCC3)s2)c(S(C)(=O)=O)c1-c1cc(N2CCN(C)CC2)cs1,DTMUSSMDWHTMLZ-UHFFFAOYSA-N
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-rxn:5:180662:225803:227803,COC(=O)C1=Cc2cc(-c3ccnn3S(=O)(=O)N(C)C)cc(-c3ccnc(OC4CCOCC4)c3)c2OC1,WFAGLBUVRKQHNW-UHFFFAOYSA-N
-rxn:5:180662:225849:226395,COC(=O)C1=Cc2cc(-c3cncc(N4CCCCC4)c3)cc(-c3cnc(N4CCCCC4)cc3F)c2OC1,UXWRRNSLEOKIAX-UHFFFAOYSA-N
-rxn:5:180662:225868:226794,COC(=O)C1=Cc2cc(-c3cnc(N4CCSCC4)nc3)cc(-c3ccc(N4CCOCC4)c(F)c3)c2OC1,YPQSJKWCKPSKPU-UHFFFAOYSA-N
-rxn:5:180662:225976:226661,COC(=O)C1=Cc2cc(-c3cc(N4CCN(C)CC4)cs3)cc(-c3ccnc(N4CCOCC4)c3F)c2OC1,WCAPICAXSFVRJH-UHFFFAOYSA-N
-rxn:5:180662:225976:227495,CCN(C)c1cc(-c2cc3c(c(-c4ccnc(N5CCOCC5)c4F)c2)OCC(C(=O)OC)=C3)c(F)cn1,KNQVNAAJOONSNB-UHFFFAOYSA-N
-rxn:5:180662:225980:225980,COC(=O)C1=Cc2cc(-c3cc(N4CCOCC4)ncc3F)cc(-c3cc(N4CCOCC4)ncc3F)c2OC1,XMTLPLKYSJJKES-UHFFFAOYSA-N
-rxn:5:180662:225982:227656,COC(=O)C1=Cc2cc(-c3cc(N4CCOCC4)cs3)cc(-c3cnc(N4CCOCC4)cc3F)c2OC1,AWMJCHNQUDEZNG-UHFFFAOYSA-N
-rxn:5:180662:226320:223131,COC(=O)C1=Cc2cc(-c3ccc(N4CCNCC4)cc3)cc(-c3cc(C4(C#N)CC4)ccc3F)c2OC1,KWRBCPCQJLFNEC-UHFFFAOYSA-N
-rxn:5:180662:226320:223133,COC(=O)C1=Cc2cc(-c3ccccc3N3CCNCC3)cc(-c3cc(C4(C#N)CC4)ccc3F)c2OC1,NWVKMRJUEKLVJO-UHFFFAOYSA-N
-rxn:5:180662:226331:223131,COC(=O)C1=Cc2cc(-c3ccc(N4CCNCC4)cc3)cc(-c3ccc(C4(C#N)CC4)cc3F)c2OC1,SZMMATDZTTVJCO-UHFFFAOYSA-N
-rxn:5:180662:226331:223132,COC(=O)C1=Cc2cc(-c3cccc(N4CCNCC4)c3)cc(-c3ccc(C4(C#N)CC4)cc3F)c2OC1,KUEYWZNJBLMHCM-UHFFFAOYSA-N
-rxn:5:180662:226331:223133,COC(=O)C1=Cc2cc(-c3ccccc3N3CCNCC3)cc(-c3ccc(C4(C#N)CC4)cc3F)c2OC1,DFBSCIRWZCZKOG-UHFFFAOYSA-N
-rxn:5:180662:226331:223138,COC(=O)C1=Cc2cc(-c3ccnc(C4CCNCC4)c3)cc(-c3ccc(C4(C#N)CC4)cc3F)c2OC1,ITCRMDURIWOCCW-UHFFFAOYSA-N
-rxn:5:180662:226447:226898,COC(=O)C1=Cc2cc(-c3cn(S(=O)(=O)N(C)C)nc3C)cc(-c3ccnc(C4CCOCC4)c3)c2OC1,UOARRDHGNOWBKN-UHFFFAOYSA-N
-rxn:5:180662:226844:226740,COC(=O)C1=Cc2cc(-c3cccc(C(F)(F)F)c3C#N)cc(-c3ccnc(C(=O)C(F)(F)F)c3)c2OC1,BBJJRTWQSJBNHC-UHFFFAOYSA-N
-rxn:5:180662:227656:225976,COC(=O)C1=Cc2cc(-c3ccnc(N4CCOCC4)c3F)cc(-c3cc(N4CCOCC4)cs3)c2OC1,UJORTWZHPBMHFF-UHFFFAOYSA-N
-rxn:5:180662:227656:225980,COC(=O)C1=Cc2cc(-c3cc(N4CCOCC4)ncc3F)cc(-c3cc(N4CCOCC4)cs3)c2OC1,WYXSPDIUWQBQNO-UHFFFAOYSA-N
-rxn:5:180662:227656:225982,COC(=O)C1=Cc2cc(-c3cnc(N4CCOCC4)cc3F)cc(-c3cc(N4CCOCC4)cs3)c2OC1,WDANXDZQFIQLKN-UHFFFAOYSA-N
-rxn:5:180662:227657:225980,COC(=O)C1=Cc2cc(-c3cc(N4CCOCC4)ncc3F)cc(-c3ccc(N4CCOCC4)s3)c2OC1,QYTOTFIQHLDMPQ-UHFFFAOYSA-N
-rxn:5:180662:227657:225982,COC(=O)C1=Cc2cc(-c3cnc(N4CCOCC4)cc3F)cc(-c3ccc(N4CCOCC4)s3)c2OC1,VIEMWORZXIPIOY-UHFFFAOYSA-N
-rxn:5:181628:225472:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2cccc(N3CCCCC3C)c2)cc1C1OCCO1,NDZPYSPAYWDYJU-UHFFFAOYSA-N
-rxn:5:181630:225514:225832,Cc1nn(C2CCCCO2)c(C)c1-c1c(-c2cccc3c2OCC2(CC2)CO3)cccc1C1OCCO1,UYQJMUQLQREUKB-UHFFFAOYSA-N
-rxn:5:181904:225466:226686,Cc1cnn(C2CCCCO2)c1-c1c(-c2ccc(N3CCCCC3C)cc2)ccc(C2OCCO2)c1C,ZZSBJWRSAGVASQ-UHFFFAOYSA-N
-rxn:5:181905:222994:225636,Cc1ccc(-c2ccnc(N3CCC(C)CC3)c2)c(C2OCCO2)c1-c1cccc(N2CCC(O)CC2)c1,FHJADESNLANQLT-UHFFFAOYSA-N
-rxn:5:181905:222994:225655,Cc1ccc(-c2cncc(N3CCC(C)CC3)c2)c(C2OCCO2)c1-c1cccc(N2CCC(O)CC2)c1,VSUPWZIOUFDKNR-UHFFFAOYSA-N
-rxn:5:181906:222981:225639,Cc1ccc(-c2ccnc(NC3CCCCC3)c2)c(C2OCCO2)c1-c1cccnc1N1CCC(C)CC1,JJTUSFNQTFMWOG-UHFFFAOYSA-N
-rxn:5:181906:225407:226425,Cc1ccc(-c2ccc(C3CCCCCC3)cc2)c(C2OCCO2)c1-c1ccc(N2CCCCC2C)s1,OSOOFVNEAXNLKU-UHFFFAOYSA-N
-rxn:5:181906:225464:225466,Cc1ccc(-c2cccc(N3CCCC(C)C3)c2)c(C2OCCO2)c1-c1ccc(N2CCCCC2C)cc1,SSYLFYZDQTUAAP-UHFFFAOYSA-N
-rxn:5:181907:222959:225472,Cc1cc(-c2ccc(C3CCNCC3)c(C)c2)c(-c2cccc(N3CCCCC3C)c2)c(C2OCCO2)c1,VHDJOFOKZZMEKT-UHFFFAOYSA-N
-rxn:5:181907:225451:225656,Cc1cc(-c2ccc(SC3CCCCC3)cc2)c(-c2cncc(N3CCCCC3C)c2)c(C2OCCO2)c1,TVZCWJHQUMFNFJ-UHFFFAOYSA-N
-rxn:5:181907:226158:225832,Cc1cc(-c2ccccc2N2CCCCC2)c(-c2c(C)nn(C3CCCCO3)c2C)c(C2OCCO2)c1,ADXBITWUGQOGQN-UHFFFAOYSA-N
-rxn:5:181907:226686:222990,Cc1cc(-c2c(C)cnn2C2CCCCO2)c(-c2ccc(N3CCC(O)CC3)cc2)c(C2OCCO2)c1,JGNQBCAZXWNXER-UHFFFAOYSA-N
-rxn:5:181908:222957:225684,Cc1cc(-c2cc(C)c(C3OCCO3)cc2-c2ccc(C3CCOCC3)nc2C)cc(C2CCCNC2)c1,TYLRJAMCOUEBSY-UHFFFAOYSA-N
-rxn:5:181908:223186:225832,Cc1cc(-c2cnn(C3CCCCO3)c2)c(-c2c(C)nn(C3CCCCO3)c2C)cc1C1OCCO1,OCTXSXYKPAYXSC-UHFFFAOYSA-N
-rxn:5:181908:225451:225438,Cc1cc(-c2ccc(SC3CCCCC3)cc2)c(-c2ccc(C(C)N3CCCC3)cc2)cc1C1OCCO1,WOKGEBZGUZLBKD-UHFFFAOYSA-N
-rxn:5:181908:225462:222981,Cc1cc(-c2cccc(N3CCC(C)CC3)c2)c(-c2ccnc(NC3CCCCC3)c2)cc1C1OCCO1,HIXFDDDWHWREIH-UHFFFAOYSA-N
-rxn:5:181908:225466:225639,Cc1cc(-c2ccc(N3CCCCC3C)cc2)c(-c2cccnc2N2CCC(C)CC2)cc1C1OCCO1,IWNNGYKPZSXLGX-UHFFFAOYSA-N
-rxn:5:181908:225633:225656,Cc1cc(-c2ccc(N3CCCCCC3)nc2)c(-c2cncc(N3CCCCC3C)c2)cc1C1OCCO1,CAINHJHFKNGXMC-UHFFFAOYSA-N
-rxn:5:181908:225639:222958,Cc1ccc(-c2cc(C3OCCO3)c(C)cc2-c2cccnc2N2CCC(C)CC2)cc1C1CCNCC1,HSGQLIHSCBNHFZ-UHFFFAOYSA-N
-rxn:5:181908:225784:225466,Cc1cc(-c2ccc(CN3CCOCC3)nc2)c(-c2ccc(N3CCCCC3C)cc2)cc1C1OCCO1,WLXXSOSQEMTVSC-UHFFFAOYSA-N
-rxn:5:181908:226571:225470,Cc1cc(-c2cnn(CC3CCOCC3)c2)c(-c2ccc(N3CCC(C)CC3)cc2)cc1C1OCCO1,CHBRJSQMCBGWKI-UHFFFAOYSA-N
-rxn:5:182009:225407:226652,Cc1cc(-c2ccc(-c3ccc(C4CCCCCC4)cc3)c(C3CCOCC3)c2)n(C2CCCCO2)n1,QTQAZIUFUBIKRU-UHFFFAOYSA-N
-rxn:5:182010:222957:226426,Cc1cc(-c2cc(-c3ccc(N4CCC(C)CC4)s3)ccc2C2CCOCC2)cc(C2CCCNC2)c1,UHOGVXJVTZYPNT-UHFFFAOYSA-N
-rxn:5:182010:222959:225439,Cc1cc(-c2cc(-c3cccc(C(C)N4CCCC4)c3)ccc2C2CCOCC2)ccc1C1CCNCC1,GBLPPTWTVPMGJG-UHFFFAOYSA-N
-rxn:5:182010:225832:225438,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2ccc(C(C)N3CCCC3)cc2)ccc1C1CCOCC1,HGWHFQQQHHZMAT-UHFFFAOYSA-N
-rxn:5:182011:222959:225466,Cc1cc(-c2ccc(C3CCOCC3)cc2-c2ccc(N3CCCCC3C)cc2)ccc1C1CCNCC1,GXSCQKFBJZDWFO-UHFFFAOYSA-N
-rxn:5:182012:222959:225607,Cc1cc(-c2ccc(-c3ccc(C(C)N4CCCCC4)s3)c(C3CCCOC3)c2)ccc1C1CCNCC1,APRBENNLNDSFRR-UHFFFAOYSA-N
-rxn:5:182012:225656:222960,Cc1cc(-c2ccc(-c3cncc(N4CCCCC4C)c3)cc2C2CCCOC2)cc(C2CCNCC2)c1,NVSSILNJZUDDQW-UHFFFAOYSA-N
-rxn:5:182012:226424:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(-c2cc(N3CCCC(C)C3)cs2)cc1C1CCCOC1,GEFWULTYCFEECU-UHFFFAOYSA-N
-rxn:5:183189:222956:226686,Cc1ccc(-c2cc(-c3c(C)cnn3C3CCCCO3)cc3c2OC(C)(C)OC3)c(C2CCCNC2)c1,QCEDFOJGRISWPC-UHFFFAOYSA-N
-rxn:5:188868:223000:225440,CC(C)OC(=O)c1ccnc(-c2ccc(C3(C#N)CCCC3)cc2)c1-c1ccc(C2CCCNC2)c(F)c1,GGNPMLLKSXLJMV-UHFFFAOYSA-N
-rxn:5:188868:225440:223000,CC(C)OC(=O)c1ccnc(-c2ccc(C3CCCNC3)c(F)c2)c1-c1ccc(C2(C#N)CCCC2)cc1,FVIBGAPXJBADRR-UHFFFAOYSA-N
-rxn:5:188930:226321:223064,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccc(SC3CCCC3)nc2)cc1-c1ccc(C2CCNCC2)nc1F,QKCBGOYVGFQKPD-UHFFFAOYSA-N
-rxn:5:188930:226382:226432,COC(=O)c1cc(S(N)(=O)=O)c(-c2cnc(C3CCCCC3)nc2)cc1-c1ccc(C2CCCC2)nc1F,WDPQQGQVTZPVIP-UHFFFAOYSA-N
-rxn:5:188930:226782:226735,COC(=O)c1cc(F)c(-c2cc(-c3cc(C#N)cc(C(F)(F)F)c3)c(C(=O)OC)cc2S(N)(=O)=O)cc1F,DUFMQPICPLZHQU-UHFFFAOYSA-N
-rxn:5:188931:226164:222405,COC(=O)c1cc(-c2ccc(N3CCCCC3)cc2)cc(S(N)(=O)=O)c1-c1cccc(C2NC(=O)NC2=O)c1,VMTCMYFBVUESCK-UHFFFAOYSA-N
-rxn:5:189078:225602:223063,CCN(C)C(=O)c1cc(-c2cc(C3(C#N)CCC3)ccc2F)ccc1-c1cc(F)nc(C2CCNCC2)c1,QWWIVXJXLWABFC-UHFFFAOYSA-N
-rxn:5:189078:226583:223063,CCN(C)C(=O)c1cc(-c2ccc(CN3CCOCC3)s2)ccc1-c1cc(F)nc(C2CCNCC2)c1,RBRLFFGTJAPHIG-UHFFFAOYSA-N
-rxn:5:189078:226662:223058,CCN(C)C(=O)c1cc(-c2ccc(N3CCN(C)CC3)s2)ccc1-c1cc(F)nc(C2CCCNC2)c1,QENCGKOUWYUMPF-UHFFFAOYSA-N
-rxn:5:189082:226583:223062,CN(C)C(=O)Cc1ccc(-c2cnc(C3CCNCC3)cc2F)c(-c2ccc(CN3CCOCC3)s2)c1,WJHGOMNWYGYDBD-UHFFFAOYSA-N
-rxn:5:189083:225602:223063,CCN(C)C(=O)c1cccc(-c2cc(C3(C#N)CCC3)ccc2F)c1-c1cc(F)nc(C2CCNCC2)c1,QMNIHKLLVXLGPW-UHFFFAOYSA-N
-rxn:5:189083:226583:223063,CCN(C)C(=O)c1cccc(-c2ccc(CN3CCOCC3)s2)c1-c1cc(F)nc(C2CCNCC2)c1,KSJKEZQCXFRYDO-UHFFFAOYSA-N
-rxn:5:189207:225507:227525,CCc1cnc(C(F)F)cc1-c1ccc(-c2ccc3c(c2)CCC3C(=O)OC)cc1C(=O)ON1C(=O)CCC1=O,PWCGCSAVLZZJAQ-UHFFFAOYSA-N
-rxn:5:189208:225946:225438,CC(=O)c1cc(-c2ccc(C(=O)ON3C(=O)CCC3=O)c(-c3ccc(C(C)N4CCCC4)cc3)c2)cc(C(F)(F)F)c1,XJFCBNIFQLGWMW-UHFFFAOYSA-N
-rxn:5:189334:226662:225639,CC1CCN(c2ncccc2-c2cc(-c3ccc(N4CCN(C)CC4)s3)cnc2C(=O)OC(C)(C)C)CC1,CMIXJNPQEVEZPY-UHFFFAOYSA-N
-rxn:5:189334:226662:225655,CC1CCN(c2cncc(-c3cc(-c4ccc(N5CCN(C)CC5)s4)cnc3C(=O)OC(C)(C)C)c2)CC1,DMLYOYBHVPGMHV-UHFFFAOYSA-N
-rxn:5:189336:226848:226427,COc1ccc(-c2ccc(C(=O)N(C)C3CC3)cc2-c2cc(N3CCC(C)CC3)cs2)c(C(F)(F)F)n1,FFLMIYOMFPLFEV-UHFFFAOYSA-N
-rxn:5:189449:227054:225453,COc1cc(-c2ccc(-c3cccc(SC4CCCCC4)c3)cc2C(=O)N2CC(OC)C2)ccc1C1CC1,LRGSFBLZUMXLJL-UHFFFAOYSA-N
-rxn:5:189665:223058:227023,CC(c1ccc(-c2cc(-c3cc(F)nc(C4CCCNC4)c3)cnc2OCC2CCOCC2)cc1)N(C)C,ARIJATSPTFQXFS-UHFFFAOYSA-N
-rxn:5:189665:227023:223062,CC(c1ccc(-c2cnc(OCC3CCOCC3)c(-c3cnc(C4CCNCC4)cc3F)c2)cc1)N(C)C,QAYJLNLHBBSEOJ-UHFFFAOYSA-N
-rxn:5:189665:227024:223062,CC(c1cccc(-c2cnc(OCC3CCOCC3)c(-c3cnc(C4CCNCC4)cc3F)c2)c1)N(C)C,SIWSLYJYJVZTCD-UHFFFAOYSA-N
-rxn:5:189669:225407:227103,CC(C)(C)S(=O)/N=C/c1ccc(-c2ccc(C3CCCCCC3)cc2)c(-c2sccc2C2CCCCC2)c1,NYRQJUIMBQMMMB-JWHWKPFMSA-N
-rxn:5:189669:226919:225451,CC(C)(C)S(=O)/N=C/c1ccc(-c2cccc(C3CCCC3)c2)c(-c2ccc(SC3CCCCC3)cc2)c1,TWPAXGATDHEKQF-JWHWKPFMSA-N
-rxn:5:189671:223082:227048,CNS(=O)(=O)c1c(C)cc(-c2cccc(-c3ccc(C(=O)C(C)C)cc3)c2/C=N/S(=O)C(C)(C)C)cc1C,DHULHUHEVNVCNO-KCSSXMTESA-N
-rxn:5:189674:225928:225631,Cc1ccc(-c2cc(-c3ccc(N4CCN(C)CC4)cc3)ccc2/C=N/S(=O)C(C)(C)C)cc1S(=O)(=O)N(C)C,BKJUZOJUHVGNKS-WEMUVCOSSA-N
-rxn:5:189676:227029:225453,CC(C)(C#N)c1ccccc1-c1cc(CC(=O)N2CCCC2)ccc1-c1cccc(SC2CCCCC2)c1,QQDBKRUYMRPKFB-UHFFFAOYSA-N
-rxn:5:189829:226150:227058,COc1ccc(C2CC2)cc1-c1cc(C(=O)N2CCCC2)cc(-c2cccc(SC3CCCC3)c2)c1OC,IHVRGKMZESECMF-UHFFFAOYSA-N
-rxn:5:189908:226326:226428,CC1CCCCN1c1csc(-c2ncc(-c3cccc(C4(C#N)CC4)c3F)cc2OCC2CCCCC2)c1,QCWCJEHNBKVSTB-UHFFFAOYSA-N
-rxn:5:189909:222958:227520,Cc1ccc(-c2ccc(-c3cnc(OC(C)C)cc3F)cc2CCN2CCOCC2)cc1C1CCNCC1,YOKIXIRCXVAKCW-UHFFFAOYSA-N
-rxn:5:189952:225784:222417,COc1c(-c2ccc(CN3CCOCC3)nc2)cc(C(=O)N2CCOCC2)cc1-c1cnc(=O)[nH]c1C(C)C,VLVFCAIFRDRBGD-UHFFFAOYSA-N
-rxn:5:189952:227491:225976,COc1c(-c2cnc(OC3CCC3)nc2)cc(C(=O)N2CCOCC2)cc1-c1ccnc(N2CCOCC2)c1F,VMDJUPVBHIDKGO-UHFFFAOYSA-N
-rxn:5:190001:223285:226058,CC(C)c1cccc(C(C)C)c1-c1ccc(CC(=O)N2CCCCC2)cc1-c1ccccc1NS(C)(=O)=O,PCLJDUMXGZERNS-UHFFFAOYSA-N
-rxn:5:190001:226212:227525,CCc1cnc(C(F)F)cc1-c1ccc(CC(=O)N2CCCCC2)cc1-c1ccc2c(c1)CCC2=NOC,ANVMREPZYAMJDS-UHFFFAOYSA-N
-rxn:5:190127:225453:227056,COc1cccc(C2CC2)c1-c1ccc(-c2cccc(SC3CCCCC3)c2)cc1C(=O)N1CCC(OC)CC1,KXBKUVKFWLIQIL-UHFFFAOYSA-N
-rxn:5:190127:226069:228157,COc1ccc(-c2ccc(-c3cccc(C4CCCCC4)c3)cc2C(=O)N2CCC(OC)CC2)c(OC)c1,XKYKHQTVUMFSED-UHFFFAOYSA-N
-rxn:5:190127:227933:226189,CCc1ccc(OC)cc1-c1ccc(-c2ccc(C3CCCC3)c(F)c2)c(C(=O)N2CCC(OC)CC2)c1,VLUFWMQWYZSYLV-UHFFFAOYSA-N
-rxn:5:190128:225622:228366,COC1CCN(C(=O)c2ccc(-c3ccccc3OC3CCCCO3)c(-c3cnc(N(C)C)c(F)c3)c2)CC1,NWZZNRTWSIDRAF-UHFFFAOYSA-N
-rxn:5:190131:226150:228154,COc1cccc(OC)c1-c1cc(C(=O)N2CCCCC2)cc(-c2cccc(SC3CCCC3)c2)c1OC,KVULWUXXMMSUOV-UHFFFAOYSA-N
-rxn:5:190132:222409:227918,COc1ccc(-c2ccc(C(=O)N3CCC(OC)CC3)c(-c3ccc(SC4CC4)cc3)c2)cc1S(N)(=O)=O,YJNCCGKKPWSNLA-UHFFFAOYSA-N
-rxn:5:190132:225453:227592,COc1cc(F)cc(-c2cc(-c3cccc(SC4CCCCC4)c3)ccc2C(=O)N2CCC(OC)CC2)c1OC,VREXSFHYRANJTO-UHFFFAOYSA-N
-rxn:5:190132:226069:227942,CCc1ccc(-c2cc(-c3cccc(C4CCCCC4)c3)ccc2C(=O)N2CCC(OC)CC2)c(OC)c1,BGZPOZYOSPBQLN-UHFFFAOYSA-N
-rxn:5:190132:227940:226069,CCc1cc(SC)cc(-c2ccc(C(=O)N3CCC(OC)CC3)c(-c3cccc(C4CCCCC4)c3)c2)c1,OPOSRRDRFLUEJF-UHFFFAOYSA-N
-rxn:5:190194:227935:225440,CCc1cc(-c2cccc(CN3CCC(OC)CC3)c2-c2ccc(C3(C#N)CCCC3)cc2)ccc1OC,FQBXPDWBZGSPIB-UHFFFAOYSA-N
-rxn:5:190194:228154:225407,COc1cccc(OC)c1-c1cccc(CN2CCC(OC)CC2)c1-c1ccc(C2CCCCCC2)cc1,IRAJULKQWNAGKA-UHFFFAOYSA-N
-rxn:5:190195:222417:226571,CC(C)c1[nH]c(=O)ncc1-c1ccc(CN(C)C2CCOCC2)cc1-c1cnn(CC2CCOCC2)c1,QCEMXYCLFAJQNE-UHFFFAOYSA-N
-rxn:5:190195:223113:225590,CN(Cc1ccc(-c2ccc3c(c2)C(C)(C)C(=O)N3)c(-c2ccc(CN3CCCC3)c(F)c2)c1)C1CCOCC1,IINGLERGFJBGGO-UHFFFAOYSA-N
-rxn:5:190197:222417:225598,CC(C)c1[nH]c(=O)ncc1-c1cc(-c2cccc(CN3CCSCC3)c2)ccc1CN(C)C1CCOCC1,RMJKCVHSHYBVIH-UHFFFAOYSA-N
-rxn:5:190198:223137:228338,CN(Cc1c(-c2cncc(C3CCCNC3)c2)cccc1-c1cnc(OC2CCC2)s1)C1CCOCC1,KILKEPRFMVBXOG-UHFFFAOYSA-N
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-rxn:5:190201:227558:226318,Cc1cc(OC(F)F)ccc1-c1ccc(-c2cc(C3CC3)nc(N(C)C)c2)c(CCN2CCOC(C)C2)c1,FYPOAILYOVCONT-UHFFFAOYSA-N
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-rxn:5:190299:227970:226746,CCc1cnc(C(F)(F)F)cc1-c1ccc(N2C(=O)SC(=Cc3cc(-c4ccncc4C(C)(C)C)ccc3OC)C2=O)cc1,KVDOJMXXCDFIMF-UHFFFAOYSA-N
-rxn:5:190307:225453:227371,COc1c(C)ccc(-c2ccc(-c3cccc(SC4CCCCC4)c3)cc2CCN2CCC(C)CC2)c1OC,CGWAYHNJCIXCLD-UHFFFAOYSA-N
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-rxn:5:190484:225450:226176,O=C(c1ccc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4ccncc4C4CCCCC4)S(=O)(=O)CC3)c2)cc1)C1CCCC1,ZOAYZVOHQRUDOK-UHFFFAOYSA-N
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-rxn:5:190484:228339:226183,COC(=O)c1cnccc1-c1cccc(C(=O)N2CCC(c3ccccc3-c3cnccc3C3CCCCC3)S(=O)(=O)CC2)c1,NMIJRDIPLJEMDF-UHFFFAOYSA-N
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-rxn:5:190580:225672:225805,CCOC(=O)c1[nH]c2ccc(-c3ccc(C(C)N4CCOCC4)s3)cc2c1-c1cc(F)nc(C2CCCCC2)c1,XVDXWSDZBJZHCW-UHFFFAOYSA-N
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-rxn:5:190580:225805:223062,CCOC(=O)c1[nH]c2ccc(-c3cnc(C4CCNCC4)cc3F)cc2c1-c1ccc(C(C)N2CCOCC2)s1,YIHIQJGZMIOEEE-UHFFFAOYSA-N
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-rxn:5:190585:225607:225674,CCOC(=O)c1[nH]c2cc(-c3cnc(C4CCCCC4)cc3F)ccc2c1-c1ccc(C(C)N2CCCCC2)s1,HHKGONGPXWMDQN-UHFFFAOYSA-N
-rxn:5:190585:225674:225607,CCOC(=O)c1[nH]c2cc(-c3ccc(C(C)N4CCCCC4)s3)ccc2c1-c1cnc(C2CCCCC2)cc1F,QFDHSQFOVQVROF-UHFFFAOYSA-N
-rxn:5:190589:223061:225607,CCOC(=O)c1[nH]c2cccc(-c3ccc(C(C)N4CCCCC4)s3)c2c1-c1cc(C2CCNCC2)ncc1F,GEKNOGYTNDXNPI-UHFFFAOYSA-N
-rxn:5:190589:225805:223062,CCOC(=O)c1[nH]c2cccc(-c3cnc(C4CCNCC4)cc3F)c2c1-c1ccc(C(C)N2CCOCC2)s1,FRINOEKFGPCWJA-UHFFFAOYSA-N
-rxn:5:190681:225672:225935,CC(=O)Oc1cn(C(C)=O)c2cc(-c3cc(C(C)C)nc(C(F)(F)F)c3)c(-c3cc(F)nc(C4CCCCC4)c3)cc12,FNLHWZLFONEQLR-UHFFFAOYSA-N
-rxn:5:190740:223000:225636,CCOC(=O)c1cnc2c(C)cc(-c3ccc(C4CCCNC4)c(F)c3)cc2c1-c1ccnc(N2CCC(C)CC2)c1,FKWHNNFGEVBOHL-UHFFFAOYSA-N
-rxn:5:190740:223001:225639,CCOC(=O)c1cnc2c(C)cc(-c3cc(C4CCCNC4)ccc3F)cc2c1-c1cccnc1N1CCC(C)CC1,YAJYRVFYQPUMKY-UHFFFAOYSA-N
-rxn:5:190740:225641:225677,CCOC(=O)c1cnc2c(C)cc(-c3ccnc(N4CCCC(C)C4)c3)cc2c1-c1ccc(C2CCCCC2)nc1F,OYIYNNHIBBHOHN-UHFFFAOYSA-N
-rxn:5:190740:225980:225655,CCOC(=O)c1cnc2c(C)cc(-c3cc(N4CCOCC4)ncc3F)cc2c1-c1cncc(N2CCC(C)CC2)c1,RLXWHSOQBHDLFK-UHFFFAOYSA-N
-rxn:5:190741:223064:225456,CCOC(=O)c1cnc2c(-c3ccc(C4CCNCC4)nc3F)cc(C)cc2c1-c1ccc(C2CCN(C)CC2)cc1,WUBCYUFDNAYWTO-UHFFFAOYSA-N
-rxn:5:190741:225674:225598,CCOC(=O)c1cnc2c(-c3cnc(C4CCCCC4)cc3F)cc(C)cc2c1-c1cccc(CN2CCSCC2)c1,ZPCIBVOJLUJHKB-UHFFFAOYSA-N
-rxn:5:190742:223000:225636,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(C4CCCNC4)c(F)c3)c2c1-c1ccnc(N2CCC(C)CC2)c1,WKVIQDFQYSJVQC-UHFFFAOYSA-N
-rxn:5:190742:223058:225465,CCOC(=O)c1cnc2c(C)ccc(-c3cc(F)nc(C4CCCNC4)c3)c2c1-c1cccc(C2CCN(C)CC2)c1,SHJIYUJPIRPWGG-UHFFFAOYSA-N
-rxn:5:190742:223061:225465,CCOC(=O)c1cnc2c(C)ccc(-c3cc(C4CCNCC4)ncc3F)c2c1-c1cccc(C2CCN(C)CC2)c1,HSSQLPDJHJZZPQ-UHFFFAOYSA-N
-rxn:5:190742:223062:225465,CCOC(=O)c1cnc2c(C)ccc(-c3cnc(C4CCNCC4)cc3F)c2c1-c1cccc(C2CCN(C)CC2)c1,DNCAZHVTEOWUKS-UHFFFAOYSA-N
-rxn:5:190742:223063:225456,CCOC(=O)c1cnc2c(C)ccc(-c3cc(F)nc(C4CCNCC4)c3)c2c1-c1ccc(C2CCN(C)CC2)cc1,HSNWQPVBDYRMSU-UHFFFAOYSA-N
-rxn:5:190742:223064:225465,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(C4CCNCC4)nc3F)c2c1-c1cccc(C2CCN(C)CC2)c1,APGSHCRDCMNLHX-UHFFFAOYSA-N
-rxn:5:190742:223065:225784,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(N4CCNCC4)cc3F)c2c1-c1ccc(CN2CCOCC2)nc1,UDWNWKKODROZFN-UHFFFAOYSA-N
-rxn:5:190742:225440:223063,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(C4(C#N)CCCC4)cc3)c2c1-c1cc(F)nc(C2CCNCC2)c1,JORUVXDGBLUUPI-UHFFFAOYSA-N
-rxn:5:190742:225633:225849,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(N4CCCCCC4)nc3)c2c1-c1cnc(N2CCCCC2)cc1F,DIBHAWPLOZHDLL-UHFFFAOYSA-N
-rxn:5:190742:225636:223000,CCOC(=O)c1cnc2c(C)ccc(-c3ccnc(N4CCC(C)CC4)c3)c2c1-c1ccc(C2CCCNC2)c(F)c1,ZRAYGPBQOVFERX-UHFFFAOYSA-N
-rxn:5:190742:225640:225677,CCOC(=O)c1cnc2c(C)ccc(-c3ccnc(N4CCCCC4C)c3)c2c1-c1ccc(C2CCCCC2)nc1F,RTRHEECDSHBWKH-UHFFFAOYSA-N
-rxn:5:190742:225655:223056,CCOC(=O)c1cnc2c(C)ccc(-c3cncc(N4CCC(C)CC4)c3)c2c1-c1ccc(N2CCC(O)CC2)nc1,FYXCNLKIGLXBPE-UHFFFAOYSA-N
-rxn:5:190742:225671:225454,CCOC(=O)c1cnc2c(C)ccc(-c3cc(C4CCCCC4)ncc3F)c2c1-c1ccc(C2=CCN(C)CC2)cc1,NJSKZTUQRILCNA-UHFFFAOYSA-N
-rxn:5:190742:225672:225641,CCOC(=O)c1cnc2c(C)ccc(-c3cc(F)nc(C4CCCCC4)c3)c2c1-c1ccnc(N2CCCC(C)C2)c1,AMEVVCCXVMYKEF-UHFFFAOYSA-N
-rxn:5:190742:225881:223062,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(C4CCOCC4)nc3F)c2c1-c1cnc(C2CCNCC2)cc1F,VWTDIWJQBRNVFZ-UHFFFAOYSA-N
-rxn:5:190742:225978:225881,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(N4CCOCC4)nc3F)c2c1-c1ccc(C2CCOCC2)nc1F,YGAAMMZYPSYICB-UHFFFAOYSA-N
-rxn:5:190742:225982:223056,CCOC(=O)c1cnc2c(C)ccc(-c3cnc(N4CCOCC4)cc3F)c2c1-c1ccc(N2CCC(O)CC2)nc1,YWRKLUYUEADNJS-UHFFFAOYSA-N
-rxn:5:190743:223061:223007,CCOC(=O)c1cnc2c(C)c(-c3cc(C4CCNCC4)ncc3F)ccc2c1-c1cc(F)cc(C2CCNCC2)c1,HGCPRDDFCLOGNW-UHFFFAOYSA-N
-rxn:5:190743:223062:223006,CCOC(=O)c1cnc2c(C)c(-c3cnc(C4CCNCC4)cc3F)ccc2c1-c1ccc(F)c(C2CCNCC2)c1,MQWJLJOMZQNYSY-UHFFFAOYSA-N
-rxn:5:190743:223062:225656,CCOC(=O)c1cnc2c(C)c(-c3cnc(C4CCNCC4)cc3F)ccc2c1-c1cncc(N2CCCCC2C)c1,UEXHUHGLGISIFV-UHFFFAOYSA-N
-rxn:5:190743:225440:223063,CCOC(=O)c1cnc2c(C)c(-c3ccc(C4(C#N)CCCC4)cc3)ccc2c1-c1cc(F)nc(C2CCNCC2)c1,MKCITOGQUPQWBE-UHFFFAOYSA-N
-rxn:5:190743:225640:225671,CCOC(=O)c1cnc2c(C)c(-c3ccnc(N4CCCCC4C)c3)ccc2c1-c1cc(C2CCCCC2)ncc1F,LCBZKXUZUKYAPQ-UHFFFAOYSA-N
-rxn:5:190743:225674:225640,CCOC(=O)c1cnc2c(C)c(-c3cnc(C4CCCCC4)cc3F)ccc2c1-c1ccnc(N2CCCCC2C)c1,UAJQBZSYSRCIQD-UHFFFAOYSA-N
-rxn:5:190743:225833:225980,CCOC(=O)c1cnc2c(C)c(-c3ccnc(N4CCCCC4)c3F)ccc2c1-c1cc(N2CCOCC2)ncc1F,GHEWBNPAVVJKRM-UHFFFAOYSA-N
-rxn:5:190744:223061:223058,CCOC(=O)c1cnc2c(-c3cc(C4CCNCC4)ncc3F)c(C)ccc2c1-c1cc(F)nc(C2CCCNC2)c1,FMQRABLKXVDWHW-UHFFFAOYSA-N
-rxn:5:190744:223062:225636,CCOC(=O)c1cnc2c(-c3cnc(C4CCNCC4)cc3F)c(C)ccc2c1-c1ccnc(N2CCC(C)CC2)c1,HJWZGSPACVOINL-UHFFFAOYSA-N
-rxn:5:190744:225588:225672,CCOC(=O)c1cnc2c(-c3ccccc3CN3CCSCC3)c(C)ccc2c1-c1cc(F)nc(C2CCCCC2)c1,BTJBLFJHHRSSGG-UHFFFAOYSA-N
-rxn:5:190744:225833:225666,CCOC(=O)c1cnc2c(-c3ccnc(N4CCCCC4)c3F)c(C)ccc2c1-c1cc(F)cc(N2CCCCC2)c1,MAVRBVBGGOAYGQ-UHFFFAOYSA-N
-rxn:5:190744:225833:225679,CCOC(=O)c1cnc2c(-c3ccnc(N4CCCCC4)c3F)c(C)ccc2c1-c1ccc(N2CCCCC2)cc1F,REKWXACJQATYFM-UHFFFAOYSA-N
-rxn:5:190744:225834:225674,CCOC(=O)c1cnc2c(-c3cc(N4CCCCC4)ncc3F)c(C)ccc2c1-c1cnc(C2CCCCC2)cc1F,UFDYKVOOFHJVDW-UHFFFAOYSA-N
-rxn:5:190795:226150:225451,CC(C)(C)OC(=O)n1cc(-c2cccc(SC3CCCC3)c2)c2ccc(-c3ccc(SC4CCCCC4)cc3)cc21,MHLLYPWFYUAYNP-UHFFFAOYSA-N
-rxn:5:190796:222981:222959,Cc1cc(-c2cccc3c2c(-c2ccnc(NC4CCCCC4)c2)cn3C(=O)OC(C)(C)C)ccc1C1CCNCC1,KVYLGUYMSCPOIN-UHFFFAOYSA-N
-rxn:5:190797:225407:226064,CC(C)(C)OC(=O)n1ccc2c(-c3ccc(C4CCCCC4)cc3)cc(-c3ccc(C4CCCCCC4)cc3)cc21,CCAFUIJCHBPZHX-UHFFFAOYSA-N
-rxn:5:190859:226064:227918,CC(C)(C)OC(=O)N1CCc2c1ccc(-c1ccc(C3CCCCC3)cc1)c2-c1ccc(SC2CC2)cc1,XOENWAQYJIVQJS-UHFFFAOYSA-N
-rxn:5:190859:226150:227052,CC(C)(C)OC(=O)N1CCc2c1ccc(-c1cccc(SC3CCCC3)c1)c2-c1ccc(SC(C)(C)C)cc1,RLWDOKZNSKYNGS-UHFFFAOYSA-N
-rxn:5:190859:226926:227045,Cc1cc(C(C)(C)C)ccc1-c1ccc2c(c1-c1cccc(SC(C)(C)C)c1)CCN2C(=O)OC(C)(C)C,NGBFTUXFBFDXDR-UHFFFAOYSA-N
-rxn:5:190859:228615:225453,CSc1ccc(C)cc1-c1ccc2c(c1-c1cccc(SC3CCCCC3)c1)CCN2C(=O)OC(C)(C)C,MKRKQYDVCXODSI-UHFFFAOYSA-N
-rxn:5:190993:226211:225810,COc1ccc(-c2ccc(CCN3Cc4cc(-c5ccc6c(c5)CCN6C(C)=O)ccc4OCC3=O)cc2)c(C2OCCO2)c1,AEKQJOSRWJONRM-UHFFFAOYSA-N
-rxn:5:190998:223141:225834,COC(=O)c1cc(-c2cc(N3CCCCC3)ncc2F)ccc1N1Cc2cc(-c3cncc(C4CCNCC4)c3)ccc2OCC1=O,ODFBTHBWJUJXPD-UHFFFAOYSA-N
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-rxn:5:193866:225437:228620,CSc1ccc(-c2cc(C3(N4CCC(=O)CC4)CC3)ccc2-c2cccc(CN3CCCCC3)c2)cc1C,XBTUXWJLFFMCNB-UHFFFAOYSA-N
-rxn:5:193866:226150:227588,COc1cc(F)cc(OC)c1-c1cc(C2(N3CCC(=O)CC3)CC2)ccc1-c1cccc(SC2CCCC2)c1,OULMVXZOPJUCOZ-UHFFFAOYSA-N
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-rxn:5:193972:228575:223135,Cc1cc(-c2cc(C)c(-c3cccnc3C3CCCNC3)cc2S(=O)(=O)N2CCCCCC2)ccc1C#N,MJPWUHQSVJRICM-UHFFFAOYSA-N
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-rxn:5:194767:226395:225980,O=C1OC2(CCCN(C(=O)c3cc(-c4cncc(N5CCCCC5)c4)ccc3-c3cc(N4CCOCC4)ncc3F)C2)c2ccccc21,SQONDAIECRNGOM-UHFFFAOYSA-N
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-rxn:5:196408:227404:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(C2=NOCCO2)c(-c2cc(N3CCCCC3)cs2)c1,HMQUXCJNFJMPMT-UHFFFAOYSA-N
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-rxn:5:196789:223141:225833,O=C1COCCN1c1ccc(-c2cncc(C3CCNCC3)c2)cc1-c1ccnc(N2CCCCC2)c1F,FTSWMMPVXMANKM-UHFFFAOYSA-N
-rxn:5:196858:225683:222957,Cc1cc(-c2cc(C3CCOCC3)ncc2-c2ccc(C3CCCOC3)nc2C)cc(C2CCCNC2)c1,CPFMFRGCZFYIEJ-UHFFFAOYSA-N
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-rxn:5:196872:225439:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(N2CCOCC2)c(-c2cccc(C(C)N3CCCC3)c2)c1,ZVNUIZQAVQLIFL-UHFFFAOYSA-N
-rxn:5:196872:226330:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(N2CCOCC2)c(-c2ccc(C(C)N3CCCC3)s2)c1,XHKYNOIIZDSIKM-UHFFFAOYSA-N
-rxn:5:196873:223061:223065,Fc1cc(N2CCNCC2)ccc1-c1cc(N2CCOCC2)ccc1-c1cc(C2CCNCC2)ncc1F,PEYOTXLXEJEXCC-UHFFFAOYSA-N
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-rxn:5:196971:225438:222958,Cc1ccc(-c2cc(-c3ccc(C(C)N4CCCC4)cc3)ncc2C2CCCCC2)cc1C1CCNCC1,HEGGMLUGHFGQHT-UHFFFAOYSA-N
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-rxn:5:197876:225407:227823,CC(C)(C)c1ccccc1-c1cc2c(cc1-c1ccc(C3CCCCCC3)cc1)S(=O)(=O)N(C(C)(C)C)C2=O,DECYSEVKXBRAAI-UHFFFAOYSA-N
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-rxn:5:197876:226064:228461,CC(C)(C)N1C(=O)c2cc(-c3cccnc3OC(F)F)c(-c3ccc(C4CCCCC4)cc3)cc2S1(=O)=O,XRRYGSMBVICGGM-UHFFFAOYSA-N
-rxn:5:197876:226069:227079,CC(C)Cc1ccc(F)c(-c2cc3c(cc2-c2cccc(C4CCCCC4)c2)S(=O)(=O)N(C(C)(C)C)C3=O)c1,KOWBONDYWOTEEP-UHFFFAOYSA-N
-rxn:5:197876:226146:228003,CSc1cc(C)c(-c2cc3c(cc2-c2ccc(SC4CCCC4)cc2)S(=O)(=O)N(C(C)(C)C)C3=O)c(C)c1,XNDLAWQNIVJXDQ-UHFFFAOYSA-N
-rxn:5:197876:226438:227925,CC(C)Oc1cccc(-c2cc3c(cc2-c2cnc(C4CCCC4)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,VZBNQSREORGDOZ-UHFFFAOYSA-N
-rxn:5:197876:226768:226150,CSc1ccc(-c2cc3c(cc2-c2cccc(SC4CCCC4)c2)C(=O)N(C(C)(C)C)S3(=O)=O)cc1C(F)(F)F,ZAUAKAZXROEJFE-UHFFFAOYSA-N
-rxn:5:197876:226911:226069,CCc1cc(C)cc(CC)c1-c1cc2c(cc1-c1cccc(C3CCCCC3)c1)C(=O)N(C(C)(C)C)S2(=O)=O,OZPVNAHPMDCYBU-UHFFFAOYSA-N
-rxn:5:197876:227048:227103,CC(C)C(=O)c1ccc(-c2cc3c(cc2-c2sccc2C2CCCCC2)C(=O)N(C(C)(C)C)S3(=O)=O)cc1,VAQUQFBHXKVZFZ-UHFFFAOYSA-N
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-rxn:5:197876:227782:227102,CC(C)(C)c1ccc(F)c(-c2cc3c(cc2-c2ccc(C(F)(F)F)nc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,JPMJVJMPEFOBOH-UHFFFAOYSA-N
-rxn:5:197876:227807:226589,CC(C)c1cnc(C(F)F)cc1-c1cc2c(cc1-c1cccc3c1CCCC3)S(=O)(=O)N(C(C)(C)C)C2=O,ZWJQPDSXTLKWPK-UHFFFAOYSA-N
-rxn:5:197876:227815:226321,CCC(C)c1ccccc1-c1cc2c(cc1-c1ccc(SC3CCCC3)nc1)C(=O)N(C(C)(C)C)S2(=O)=O,JOKDCQOFXBAQCC-UHFFFAOYSA-N
-rxn:5:197876:227971:225451,CC(C)(C)c1ccncc1-c1cc2c(cc1-c1ccc(SC3CCCCC3)cc1)C(=O)N(C(C)(C)C)S2(=O)=O,BBWKLFPNTNJSHR-UHFFFAOYSA-N
-rxn:5:197876:228437:226444,Cc1nc(C2CCCO2)ccc1-c1cc2c(cc1-c1ccc(C(F)F)cc1F)S(=O)(=O)N(C(C)(C)C)C2=O,YGRKYYHPBSANTO-UHFFFAOYSA-N
-rxn:5:197876:228592:225814,CC(C)c1cncc(-c2cc3c(cc2-c2cccc(C4(C(F)(F)F)CC4)c2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,QZQYQWPYOXNGRM-UHFFFAOYSA-N
-rxn:5:197876:228602:225453,CC(=O)c1ccc(-c2cc3c(cc2-c2cccc(SC4CCCCC4)c2)C(=O)N(C(C)(C)C)S3(=O)=O)cc1,KSNQVDRWFGWZRX-UHFFFAOYSA-N
-rxn:5:197876:228808:225439,CSc1cc(F)cc(-c2cc3c(cc2-c2cccc(C(C)N4CCCC4)c2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,MIVPUXNHZDPBNS-UHFFFAOYSA-N
-rxn:5:198558:225632:225805,CC(c1ccc(C2=NS(=O)(=O)c3cc(-c4cccc(N5CCN(C)CC5)c4)ccc32)s1)N1CCOCC1,ZMAOZXWFZTXTIC-UHFFFAOYSA-N
-rxn:5:198559:225631:225805,CC(c1ccc(C2=NS(=O)(=O)c3ccc(-c4ccc(N5CCN(C)CC5)cc4)cc32)s1)N1CCOCC1,XUVUQWMETOCGMD-UHFFFAOYSA-N
-rxn:5:227922:178295:226916,CCc1cc(OC)ccc1-c1ccc(-c2cccc(C3=CCCC3)c2)cc1C1(C(=O)OC)CCC(=O)CC1,SILRKHUZSORXAI-UHFFFAOYSA-N
-rxn:5:227926:178295:223287,CNS(=O)(=O)c1ccc(-c2ccc(-c3ccc(SC(C)C)cc3)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc1,KHEKGHYSKACYTR-UHFFFAOYSA-N
-rxn:5:227940:178295:226924,CCc1cc(SC)cc(-c2ccc(-c3cc(C)cc(C4CC4)c3C)cc2C2(C(=O)OC)CCC(=O)CC2)c1,YFYSAHGIYHNDRP-UHFFFAOYSA-N
-rxn:5:227940:178295:227554,CCc1cc(SC)cc(-c2ccc(-c3cccc(F)c3C(=O)OC)cc2C2(C(=O)OC)CCC(=O)CC2)c1,DYGIUMIGADNRBE-UHFFFAOYSA-N
-rxn:5:227942:178295:225451,CCc1ccc(-c2ccc(-c3ccc(SC4CCCCC4)cc3)cc2C2(C(=O)OC)CCC(=O)CC2)c(OC)c1,XOIMQKDTGNYAAU-UHFFFAOYSA-N
-rxn:5:227979:178295:226191,COC(=O)C1(c2cc(-c3cc(C4CCCC4)ccc3F)ccc2-c2c(C)cc(C)cc2OC)CCC(=O)CC1,XPSKFFJRAHUQCP-UHFFFAOYSA-N
-rxn:5:227979:178295:226974,COC(=O)C1(c2cc(-c3ccc4c(c3)COC4(C)C)ccc2-c2c(C)cc(C)cc2OC)CCC(=O)CC1,DIVLPUSSZMPSGO-UHFFFAOYSA-N
-rxn:5:227995:178295:227047,COC(=O)C1(c2cc(-c3cccc(SC4CCC4)c3)ccc2-c2cc(C)cc(C)c2OC)CCC(=O)CC1,SCCNIZCUFYUKCQ-UHFFFAOYSA-N
-rxn:4:173488:223588,COC(=O)c1cc(-c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)c(C)c2)c(OCc2ccccc2)cc1OC,NPLRBWQIAREJOT-UHFFFAOYSA-N
-rxn:4:173544:225324,COC(=O)c1ccc(-c2cn(CCC(C)C)nc2C(F)(F)F)c(OCCC2CCCCC2)c1,BBUGSHQDWNQHRL-UHFFFAOYSA-N
-rxn:4:173547:223569,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(F)c(-c3cc(C(=O)OC(C)(C)C)ccc3OCc3ccccc3)cnc21,LXSGPATVRSVSGE-UHFFFAOYSA-N
-rxn:4:173574:225826,CN1CCN(c2cncc(-c3cccc(C(=O)CCCCC4OCC(C)(C)CO4)c3)c2)CC1,KUPDQISZLVSOHK-UHFFFAOYSA-N
-rxn:4:173593:223103,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc(COC(=O)c3cc(C(C)(C)C)cc(C(C)(C)C)c3)cc2)s1,TXWCVPCHKKTNJG-UHFFFAOYSA-N
-rxn:4:173688:226893,CC(C)(C)OC(=O)COc1ccc2c(c1)OC(=Cc1ccccc1-c1cc(Cl)c(C(F)(F)F)cc1F)C2=O,XHALCICMOFUCIB-UHFFFAOYSA-N
-rxn:4:173719:223559,C#CCOc1cc(C(=O)OC)cc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)c1,OPVJDOFMOQWJFP-UHFFFAOYSA-N
-rxn:4:173802:225761,CC(C)Cc1ccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)c([N+](=O)[O-])c1,JHKWIEJSHZMUIX-UHFFFAOYSA-N
-rxn:4:173804:226018,CSc1ccc(-c2cc(C(F)(F)F)ccc2OCC(F)(F)C(F)(F)F)cc1OC(F)(F)F,UDPGFCAIDFBBOJ-UHFFFAOYSA-N
-rxn:4:173805:222724,FC(F)(F)c1ccc(OCC(F)(F)C(F)(F)F)cc1-c1cnc(N2CCNCC2)c(C(F)(F)F)c1,AKTZSDLIFIWOEC-UHFFFAOYSA-N
-rxn:4:174100:224132,COC(=O)C(C)(C(=O)OC)c1ccc(-c2ccccc2C(=O)N(C)C2CCCCC2)cc1,LJVSYLBCINNEGU-UHFFFAOYSA-N
-rxn:4:174164:224361,CCOC(=O)C(C)(C)Oc1c(F)cc(-c2ccc(OC)c(S(=O)(=O)N(CC)CC)c2)cc1F,FVOOTMMBDRZNEC-UHFFFAOYSA-N
-rxn:4:174170:223640,CCOC12C(=O)c3cc(F)cc(-c4ccc(C(=O)OC(C)(C)C)c(OC(F)(F)F)c4)c3C(=O)C1C2(C)C,GMGRAMXYHKHPAW-UHFFFAOYSA-N
-rxn:4:174262:223490,CCOc1ccc(-c2ccc(C)c(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1OCc1ccccc1,NSRRLPUEDPMPGA-UHFFFAOYSA-N
-rxn:4:174316:223883,COc1ccc(OCC(=O)C(C)(C)C)cc1-c1ccc2c(c1)CCCN2C(=O)OC(C)(C)C,MTHBISJTZSTJTJ-UHFFFAOYSA-N
-rxn:4:174369:223636,COc1ccc(C(=O)Oc2ccc(-c3ccc(C4CCCN(C(=O)OC(C)(C)C)C4)cc3)cc2C(C)=O)cc1,QQWCIHDIVVPFBX-UHFFFAOYSA-N
-rxn:4:174378:223474,COc1ccc(-c2ccc(OCc3ccccc3)c(C34CC5CC(CC(C5)C3)C4)c2)cc1OCCC1OCCCO1,SNLJFYWUCAKNHU-UHFFFAOYSA-N
-rxn:4:174428:224017,CC(C)(C)OC(=O)C(C)(C)Sc1ccc(-c2ccc(N3CCCS3(=O)=O)cc2C(F)(F)F)cc1,MOSYPKIEPFPFSL-UHFFFAOYSA-N
-rxn:4:174471:225163,CC(C)(C)[Si](C)(C)OCc1ccc(C(F)(F)F)cc1-c1ccccc1C(=O)N1CCOCC1,VFSFCDHUNWRRJZ-UHFFFAOYSA-N
-rxn:4:174514:223772,COc1ccc2cc(-c3cccc(O[Si](C(C)C)(C(C)C)C(C)C)c3)n(C(=O)OC(C)(C)C)c2c1,GOPXJDSRDSCHRE-UHFFFAOYSA-N
-rxn:4:174514:224566,COC(=O)C1(c2ccc(-c3cccc(O[Si](C(C)C)(C(C)C)C(C)C)c3)cc2)CCCC1,XPTJDZIGAXWFQN-UHFFFAOYSA-N
-rxn:4:174515:222545,CC(C)[Si](Oc1ccc(-c2ccc(C(C)(C)NC(=O)OC(C)(C)C)cc2)cc1)(C(C)C)C(C)C,ZPGRQQATKAHSEM-UHFFFAOYSA-N
-rxn:4:174515:222796,Cc1ccc(S(=O)(=O)NC(C)(C)C)cc1-c1ccc(O[Si](C(C)C)(C(C)C)C(C)C)cc1,UCWGNBUSKAWHOE-UHFFFAOYSA-N
-rxn:4:174522:223936,CC(C)[Si](C#Cc1ccc(-c2cc3c(F)cccc3n2C(=O)OC(C)(C)C)cc1)(C(C)C)C(C)C,AWQDNSRMGNMQLJ-UHFFFAOYSA-N
-rxn:4:174522:224655,CC(C)[Si](C#Cc1ccc(-c2ccc(O[Si](C)(C)C(C)(C)C)cc2F)cc1)(C(C)C)C(C)C,RSKJMGXVHOUDQK-UHFFFAOYSA-N
-rxn:4:174526:223034,Cc1c(-c2cncc(C(=O)NC(C)(C)C)c2)ccc(O[Si](C(C)C)(C(C)C)C(C)C)c1Cl,QWRDWLABPRQLMS-UHFFFAOYSA-N
-rxn:4:174549:224255,CCC(=O)Oc1cc2c(C(=O)OC)c(C)oc2cc1-c1cc(F)cc(C(=O)N2CCCC(C)C2)c1,JIJYVPTYVSOFOM-UHFFFAOYSA-N
-rxn:4:174605:225191,COC(=O)C(C)Oc1ccc2c(c1)OC(=Cc1cccc(-c3cnc(OC4CCCCC4)cc3F)c1)C2=O,YWKKBOAYRIHTJW-UHFFFAOYSA-N
-rxn:4:174637:223844,O=C1C(=Cc2cccc(-c3ccc(S(=O)(=O)N4CCCC4)cc3C(F)(F)F)c2)Oc2cc(OCC=Cc3ccccc3)ccc21,NDDSUGAPJGNFEA-UHFFFAOYSA-N
-rxn:4:174662:224082,CCC(C(=O)OC(C)(C)C)c1cccc(-c2ccc3c(c2)C(CC)(CC)c2cc(-c4ccc5c(c4)C(CC)(CC)c4ccccc4-5)ccc2-3)c1,OOFSXYZUYXPHIU-UHFFFAOYSA-N
-rxn:4:174758:225340,CCOc1cc(-c2cc(C(F)(F)F)ccc2OC(F)(F)C(F)(F)F)ccc1OC(F)(F)F,DKYLQCAIVNJYEP-UHFFFAOYSA-N
-rxn:4:175141:223559,CCCC(=O)Cc1cc(F)ccc1-c1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)OC(C)(C)C,FYZUMNKXKCUZAY-UHFFFAOYSA-N
-rxn:4:175207:223499,CCOc1cc(C(F)(F)F)c(-c2ccc(Cl)c(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1OC,JIFSCQXUEUVDHZ-UHFFFAOYSA-N
-rxn:4:175617:223505,CSc1cc(-c2ccc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cc2)ccc1OCc1ccc(F)cc1,FNEHGHYSQBESRY-UHFFFAOYSA-N
-rxn:4:175798:223835,COC(=O)c1cc(-c2ccccc2C(F)(F)F)ccc1-c1cc(S(=O)(=O)N2CCC(C)CC2)c(C)cc1F,YQAJWLMMTCHWHE-UHFFFAOYSA-N
-rxn:4:175864:223992,CCOC(=O)c1ccc(C(C)(C)C)c(-c2ccc(C)c(S(=O)(=O)N3CCN(C)CC3)c2)c1,FNDQOOOWYSNUJV-UHFFFAOYSA-N
-rxn:4:175868:223998,CC1CCN(S(=O)(=O)c2ccc(-c3cc(C(=O)OC(C)C)cc(C(C)C)c3)cc2F)CC1,FGRJZKJHTDGTPL-UHFFFAOYSA-N
-rxn:4:175897:222522,COC(=O)c1cc(OC2CCOCC2)cc(-c2ccc(OC)c(S(=O)(=O)N3CCC(O)CC3)c2)c1,UWIBTAAVUWOVDM-UHFFFAOYSA-N
-rxn:4:175996:224290,Clc1ccc(-c2ccc(OC3CC3)c(SC3CCOCC3)c2)c(OCCN2CCOCC2)c1,UUDMWJOQTNGLEO-UHFFFAOYSA-N
-rxn:4:175996:224481,c1cc(-c2ccc(OC3CC3)c(SC3CCOCC3)c2)ccc1OCCCN1CCCC1,KPWGXDYRZGPGAR-UHFFFAOYSA-N
-rxn:4:176130:224656,COc1ccc(-c2ccc(C3(O[Si](C)(C)C(C)(C)C)CC3)o2)c(F)c1OC1CCCC1,LVXDPIQDPPANJY-UHFFFAOYSA-N
-rxn:4:176131:222639,C[C@H](NC(=O)OC(C)(C)C)c1ccc(-c2cc(SC(C)(C)C)cc(SC(C)(C)C)c2)cc1,SIIMQEIZNLMPMT-SFHVURJKSA-N
-rxn:4:176131:222695,Cc1ccc(-c2cc(SC(C)(C)C)cc(SC(C)(C)C)c2)cc1S(=O)(=O)NC1CCCC1,BWPYKHRHGZMTSB-UHFFFAOYSA-N
-rxn:4:176182:223884,CC(C)c1cc(C(C)C)c(-c2ccccc2-c2ccc3c(c2)CCN(C(=O)OC(C)(C)C)C3)c(C(C)C)c1,FENAVZXITHBELS-UHFFFAOYSA-N
-rxn:4:176294:225196,CC(C)(C)C(=O)Oc1ccc2c(c1)OC(=Cc1cccc(-c3cc(Cl)c(F)c(OC4CCCC4)c3)c1)C2=O,TZLHUNUXRNBYLO-UHFFFAOYSA-N
-rxn:4:176302:223904,Cc1ccc(C=C2Oc3cc(OS(=O)(=O)c4ccc(-c5cccc(C6CN(C(=O)OC(C)(C)C)C6)c5)cc4)ccc3C2=O)cc1,FZLMUNRIVSKGBH-UHFFFAOYSA-N
-rxn:4:176517:222447,COc1ccc2c(c1-c1cc(C(F)(F)F)cc(F)c1C(=O)C(F)(F)F)N=C(NC(=O)OC(C)(C)C)C2,QLECEVFKDHSYMT-UHFFFAOYSA-N
-rxn:4:176752:223542,CCCOc1ccc(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCN(C)CC3)c2)c(Cl)c1,NXVJWWYGBIVGHT-UHFFFAOYSA-N
-rxn:4:176939:222604,COc1ccc(-c2ccc(OC(F)(F)C(F)(F)F)cc2C)cc1S(=O)(=O)NC1CCCC1,LIXUODSHVKSZSJ-UHFFFAOYSA-N
-rxn:4:176943:223947,CCN(C(=O)OC(C)(C)C)c1ccc(-c2cc(C)cc(OC(F)(F)C(F)(F)F)c2)c(F)c1,IPCQVZRVLNVSCO-UHFFFAOYSA-N
-rxn:4:177062:223559,COc1cc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)cc(C(F)F)c1OC,WVTONNYPKKFDRW-UHFFFAOYSA-N
-rxn:4:177333:223542,COC(=O)c1cc(C)cc(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCN(C)CC3)c2)c1OC,JEVZJBLNUZVSMG-UHFFFAOYSA-N
-rxn:4:178179:223728,CCCCCC1CCC(c2ccc(-c3cccc(C4(C(=O)OC)CCCC4)c3)c(F)c2)CC1,OTUZKCKETIMZNW-UHFFFAOYSA-N
-rxn:4:178213:223748,CS(=O)(=O)c1cccc(-c2ccc(-c3cc(N4CCCCC4)cc(N4CCCCC4)c3)cc2C(F)(F)F)c1,ZWUYKNCLXITMRK-UHFFFAOYSA-N
-rxn:4:178295:224059,COC(=O)C1(c2cc(Cl)ccc2-c2cc(C(C)(C)C)cc(C(C)(C)C)c2OC)CCC(=O)CC1,XYTXKCACSJHSNP-UHFFFAOYSA-N
-rxn:4:178306:223635,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3ccc(S[Si](C)(C)C(C)(C)C)cc3)cc2)CC1,XSCKEYCINDGGKS-UHFFFAOYSA-N
-rxn:4:178357:223507,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccccc2-c2ccc(C(=O)c3ccc(C(C)(C)C)cc3)cc2)CC1,QVQSEKXKWIRXKP-UHFFFAOYSA-N
-rxn:4:178384:226022,COc1cccc(OC(F)(F)F)c1-c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1,UELJCCADIPTHJG-UHFFFAOYSA-N
-rxn:4:178384:226481,COc1ccc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)cc1OCC#N,FVVQKGQHIJSSKO-UHFFFAOYSA-N
-rxn:4:178384:228178,COCc1ccc(F)c(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c1,HQVIEZJZNMPNMH-UHFFFAOYSA-N
-rxn:4:178384:228366,CN(C)c1ncc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)cc1F,YLOYMSOAPBWGJV-UHFFFAOYSA-N
-rxn:4:178384:228405,COc1cc(F)c(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)cc1Cl,YWVCGKOQEADJAG-UHFFFAOYSA-N
-rxn:4:178384:228633,Cc1cc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)cc(C)c1Cl,IGLISGQTFSSDIC-UHFFFAOYSA-N
-rxn:4:178580:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3ccc4oc(=O)c(S(=O)(=O)c5ccc(C(C)C)cc5)cc4c3)c2)CC1,GFSOSYGDTSHYPD-UHFFFAOYSA-N
-rxn:4:178594:226354,COc1cc(-c2cc(Cl)c(OCC34CC5CC(CC(C5)C3)C4)cc2F)c(Cl)c(C2CC2)c1,CLHKUVIFOYBGDM-UHFFFAOYSA-N
-rxn:4:178597:225948,Cc1ccn(-c2ncc(-c3ccc(OC(=O)C4OC5OC(C)(C)OC5C5OC(C)(C)OC45)cc3)c(C)n2)n1,FTDSWOYPPQTGDE-UHFFFAOYSA-N
-rxn:4:178597:228057,Cc1nc2cc(-c3ccc(OC(=O)C4OC5OC(C)(C)OC5C5OC(C)(C)OC45)cc3)ccc2o1,KXYSFCNSPQLHPA-UHFFFAOYSA-N
-rxn:4:178597:228506,CCCc1ccccc1-c1ccc(OC(=O)C2OC3OC(C)(C)OC3C3OC(C)(C)OC23)cc1,LKVDDTRUWVBRJF-UHFFFAOYSA-N
-rxn:4:178597:228924,COc1cc(-c2ccc(OC(=O)C3OC4OC(C)(C)OC4C4OC(C)(C)OC34)cc2)cc(Cl)n1,CZAANXJRZPDREO-UHFFFAOYSA-N
-rxn:4:178597:229116,Cc1nccc(-c2ccc(OC(=O)C3OC4OC(C)(C)OC4C4OC(C)(C)OC34)cc2)c1Cl,JSEUQPYFCXLECU-UHFFFAOYSA-N
-rxn:4:179846:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(OC4CCOC4)cc3F)c(F)cc2C)CC1,ZVGFJWPYWZWFDJ-UHFFFAOYSA-N
-rxn:4:180055:223541,O=S(=O)(c1cc(F)c(F)cc1-c1ccc(C(F)(F)F)cc1-c1ccccc1Cl)N1CCC2(CC1)OCCO2,UDRKVOUACRTAOR-UHFFFAOYSA-N
-rxn:4:180498:223507,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccccc2-c2ccc(C3CCCOC3)cc2C2CC2)CC1,NRGKOTYETYIJQX-UHFFFAOYSA-N
-rxn:4:180609:223645,CCOC(=O)C1CCCN(C(=O)c2cccc(-c3cccc4c3CC(C(=O)C(F)(F)F)C4=O)c2)C1,QDSXDRQWQMIICB-UHFFFAOYSA-N
-rxn:4:180792:224904,CCOC1CCC2(CC1)Cc1ccc(-c3ccc(C(=O)C4CCCCC4)cc3)cc1C2=O,HSUYIXLZQOVXKJ-UHFFFAOYSA-N
-rxn:4:180792:225202,CCOC1CCC2(CC1)Cc1ccc(-c3cc(C4CCC4)cc(C(F)(F)F)c3)cc1C2=O,JWHPCKPFYJWMOL-UHFFFAOYSA-N
-rxn:4:181259:223498,CC(C)(C)OC(=O)N1CCCN(C(=O)c2ccc(-c3ccc(S(F)(F)(F)(F)F)cc3)cc2)CC1,FWADGTOMGHFUKJ-UHFFFAOYSA-N
-rxn:4:182090:223679,CCN1CCN(S(=O)(=O)c2c(C)cc(-c3ccc(C=C4C(=O)OC(C)(C)OC4=O)cc3)cc2C)CC1,NVQBHMMRVAGRDR-UHFFFAOYSA-N
-rxn:4:182374:224409,CC(=O)c1cc2c(cc1-c1cc(OCC(F)(F)F)cc(C(F)(F)F)c1)C(C)(C)CCC2(C)C,QIMAMLVGCOAGOI-UHFFFAOYSA-N
-rxn:4:182396:222615,CC(C)Cc1cc(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc(C2CCNCC2)c1,MXUZVICQBQWSMR-UHFFFAOYSA-N
-rxn:4:182407:223635,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(C(C)(C)C)ccc3-4)cc2)CC1,QZSFWDJPZJDUST-UHFFFAOYSA-N
-rxn:4:182409:222615,CC(C)Cc1cc(-c2ccc3cc(C45CC6CC(CC(C6)C4)C5)ccc3c2)cc(C2CCNCC2)c1,RHZGHQLUTPIYEZ-UHFFFAOYSA-N
-rxn:4:182971:223507,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccccc2-c2c(F)cc3c(c2F)C(=O)CCO3)CC1,OJRRISUOYHUTEF-UHFFFAOYSA-N
-rxn:4:183082:223606,O=C1CCc2c(F)ccc(-c3ccc(S(=O)(=O)N4CCC5(CC4)OCCO5)c(F)c3)c2C1,NXEAVJOFHWYSGB-UHFFFAOYSA-N
-rxn:4:183272:225829,CC1CCN(c2ncc(-c3ccc4c(c3)OCCOCCOCCOCCOCCO4)cn2)CC1,GDLQFIZTDWBGQD-UHFFFAOYSA-N
-rxn:4:183273:229171,Cc1ncc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c(Cl)n1,JRSBPQIPHGBWPJ-UHFFFAOYSA-N
-rxn:4:183274:223467,c1c[nH]c(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCOCCO3)n1,KBEVJKWKAGDKGE-UHFFFAOYSA-N
-rxn:4:183274:226352,Cc1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCOCCO3)c(Cl)cc1OC(C)C,VUZPIXJYOQXGNZ-UHFFFAOYSA-N
-rxn:4:183274:227959,Cc1cnc(C2CC2)c(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCOCCO3)c1,ORTBNYJKGWTEFS-UHFFFAOYSA-N
-rxn:4:183274:229036,Cc1cc(F)ccc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCOCCO2,ACZSKLPAEHCBOW-UHFFFAOYSA-N
-rxn:4:183274:229106,Cc1cnc(F)c(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCOCCO3)c1,WOFYEARXURZPCM-UHFFFAOYSA-N
-rxn:4:183565:223590,CCOC(=O)Cc1c(C#N)ccc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2C)c1OC,DAFUTPYIJDSQIZ-UHFFFAOYSA-N
-rxn:4:183571:224017,CCOC(=O)Cc1cc(C#N)c(-c2ccc(N3CCCS3(=O)=O)cc2C(F)(F)F)cc1OC,RLTBZSVZAQZRHT-UHFFFAOYSA-N
-rxn:4:183583:223539,COC(=O)C(C(=O)OC)c1ccc(-c2ccc(OC)c(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)cc1[N+](=O)[O-],DTQFCWUZHCCCAY-UHFFFAOYSA-N
-rxn:4:183645:224729,COc1nccc(-c2ccc(C(=O)ON3C(=O)CCC3=O)c(OCC(F)F)c2)c1C(=O)OC(C)(C)C,GEWCQTAKCTXTRU-UHFFFAOYSA-N
-rxn:4:183743:222827,CCCCOc1cc(-c2cc(F)c(S(=O)(=O)NC3CC3)cc2F)ccc1C(=O)N1CCC1,DKHIZUDFZLXXKY-UHFFFAOYSA-N
-rxn:4:183795:225991,COC(=O)c1ccc(N(C)C(=O)OC(C)(C)C)c(-c2cc(C(F)(F)F)nn2CC(C)C)c1,XYIXJRRSYBEXOG-UHFFFAOYSA-N
-rxn:4:183836:222919,CCN(C(=O)COc1ccc(-c2ccc(S(=O)(=O)NC(C)(C)C)cc2)cc1)C1CCS(=O)(=O)C1,NJNIOENMVDXTFV-UHFFFAOYSA-N
-rxn:4:183837:224649,COC(=O)C1CCN(C(=O)COc2ccc(-c3cc(F)ccc3OCC3CCCCO3)cc2)CC1,QQSYRSQBCYGEBW-UHFFFAOYSA-N
-rxn:4:183901:225550,CCCCC(=O)c1ccc(-c2cc(C)c(F)c(CN(CC)C(=O)OC(C)(C)C)c2)cc1F,UFSXCSJOCBBFNB-UHFFFAOYSA-N
-rxn:4:183927:225882,CC(C)(C)[Si](C)(C)OCCc1c(-c2cnc(Cl)c(C3CCOCC3)c2)cccc1[N+](=O)[O-],PHKKLAGGUBSKAV-UHFFFAOYSA-N
-rxn:4:183928:225747,Cc1ccc(-c2ccc(C(C)N(C(=O)OC(C)(C)C)C3CC3)cc2)n1C(=O)OC(C)(C)C,FTIAAPALRKHFAR-UHFFFAOYSA-N
-rxn:4:183934:225264,COC(=O)c1ccc(-c2ccccc2CCCN2CCC(C(=O)OC)CC2)cc1C(=O)OC,ZYAOHDJANRQMHG-UHFFFAOYSA-N
-rxn:4:183941:225318,CCCCN(C1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(-c2c(F)cc(N3CCOCC3)cc2F)cc1,SDOKHSYWUDIRRP-UHFFFAOYSA-N
-rxn:4:183954:223505,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)c4nc(-c5ccco5)oc4SCc4ccc(F)cc4)cc3)cc2)CC1,SJFSYDCZDNCGDT-UHFFFAOYSA-N
-rxn:4:183960:224617,Cc1cc(OCC2CN(C(=O)OC(C)(C)C)C2)ccc1-c1ccc(OCCN2CCCC2)c(Cl)c1,JQQKABFHOAPXGP-UHFFFAOYSA-N
-rxn:4:183963:223502,Cc1cccc(OCC2CN(C(=O)OC(C)(C)C)C2)c1-c1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c(F)c1,MMYHBSYHIFEVJS-UHFFFAOYSA-N
-rxn:4:183963:223532,Cc1cccc(OCC2CN(C(=O)OC(C)(C)C)C2)c1-c1cc(F)cc(CN2CCN(C(=O)OC(C)(C)C)CC2)c1,RMYVOLNTOIFFSL-UHFFFAOYSA-N
-rxn:4:183965:225753,COC(=O)c1cc(OCCN2CCCC(C)C2)cc(-c2cc(C(=O)OC)cnc2C2CC2)c1,NRQZQXWGSLOQRC-UHFFFAOYSA-N
-rxn:4:183984:224847,Cc1cc(-c2cc(C(C)(C)C)ccc2C(C)(C)C)ccc1CN(C(=O)OC(C)(C)C)C(C)C,KMRWOGXICUQCSW-UHFFFAOYSA-N
-rxn:4:183994:224969,Cc1cc(-c2ccc(CN(C(=O)OC(C)(C)C)C3CCCC3)cc2)ccc1C(=O)OC(C)(C)C,ITJINQHQUAHBRM-UHFFFAOYSA-N
-rxn:4:183994:225109,CC(C)(C)OC(=O)Oc1cccc(-c2ccc(CN(C(=O)OC(C)(C)C)C3CCCC3)cc2)c1,GLSXOCRLUXTLQR-UHFFFAOYSA-N
-rxn:4:184031:226090,CCN(CC)Cc1cccc(-c2cc(F)cc(OCC3CCCN(C(=O)OC(C)(C)C)C3)c2)c1,KRJGBTSNMRUZJB-UHFFFAOYSA-N
-rxn:4:184032:222480,Cc1cccc(NC(=O)c2cc(-c3cc(F)cc(OCC4CCCCN4C(=O)OC(C)(C)C)c3)ccc2F)c1C,OTKVBPNWTBUIEE-UHFFFAOYSA-N
-rxn:4:184032:225233,CC1CCCN(c2cc(-c3cc(F)cc(OCC4CCCCN4C(=O)OC(C)(C)C)c3)cnc2Cl)C1,NCBCKBBVISURPP-UHFFFAOYSA-N
-rxn:4:184034:224593,CCOC(=O)C1CCN(S(=O)(=O)c2cc(-c3ccc(F)c(CN4CCC(C)CC4)c3)c(C)cc2OC)CC1,YAZKDVZXDNPUIF-UHFFFAOYSA-N
-rxn:4:184056:225345,COc1cc(OC2CCN(C(=O)OC(C)(C)C)CC2)ccc1-c1cc(S(=O)(=O)N(C)C)ccc1OC,RRQSWBGVJNXTDU-UHFFFAOYSA-N
-rxn:4:184065:227059,COc1ccc(-c2ccc(CN(C(=O)OC(C)(C)C)C3CCCCC3)cc2)cc1C(C)C,AEVXHDXPLJTYSG-UHFFFAOYSA-N
-rxn:4:184089:224078,COc1ccc(CN(C2CCCCC2)S(=O)(=O)c2ccc(-c3cccc4c3ccn4[Si](C)(C)C(C)(C)C)cc2)cc1,CSLYXXYWONBSOW-UHFFFAOYSA-N
-rxn:4:184092:226056,CC(C)(C)c1ccc(C(=O)N(Cc2ccc(-c3c4c(cc5c3CCC5)CCC4)o2)C2CCS(=O)(=O)C2)cc1,IWCQZHKYKNOJBG-UHFFFAOYSA-N
-rxn:4:184096:224861,CC(C)Oc1ccc2cc(-c3ccc(CN(C(=O)OC(C)(C)C)C4CCC(C)(C)CC4)cc3)ccc2c1,ZICUHBDPXMZHPX-UHFFFAOYSA-N
-rxn:4:184096:227342,COC(=O)c1ccc(-c2ccc(CN(C(=O)OC(C)(C)C)C3CCC(C)(C)CC3)cc2)cc1C,MWRNTQIMLVBJGI-UHFFFAOYSA-N
-rxn:4:184096:227912,COC(C)c1ccc(-c2ccc(CN(C(=O)OC(C)(C)C)C3CCC(C)(C)CC3)cc2)cc1,OXZRWZFNXJQDHC-UHFFFAOYSA-N
-rxn:4:184096:228792,CSc1ccc(-c2ccc(CN(C(=O)OC(C)(C)C)C3CCC(C)(C)CC3)cc2)cc1F,BKQCEQMCQOYLBN-UHFFFAOYSA-N
-rxn:4:184099:224325,CC(c1ccc(-c2ccc(C3=CCN(S(C)(=O)=O)CC3)cc2)cc1)N(C(=O)OC(C)(C)C)C1CCC(C)(C)CC1,LFEVSNNSZFDLRR-UHFFFAOYSA-N
-rxn:4:184099:224434,CC(c1ccc(-c2ccc(COCc3ccccc3)cc2)cc1)N(C(=O)OC(C)(C)C)C1CCC(C)(C)CC1,OWJHGLQCPOHFDO-UHFFFAOYSA-N
-rxn:4:184099:228545,CC(c1ccc(-c2cccc(CC#N)c2)cc1)N(C(=O)OC(C)(C)C)C1CCC(C)(C)CC1,JAUMNOPXINMFPL-UHFFFAOYSA-N
-rxn:4:184132:224904,COC(=O)c1cc(-c2ccc(C(=O)C3CCCCC3)cc2)cc2c1ccn2CC(=O)OC(C)(C)C,HPZFWIMYIVVUDP-UHFFFAOYSA-N
-rxn:4:184181:224967,COC(=O)c1cc(-c2ccc(CN(C(=O)OC(C)(C)C)C(C)C)c3ccccc23)cc(C(C)(C)C)c1,VEOBYNWKYSNPSM-UHFFFAOYSA-N
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-rxn:4:184207:222700,CC(=O)c1c(C)oc2ccc(N(C(=O)c3ccccc3Cl)S(=O)(=O)c3ccc(-c4ccc(C(F)(F)F)cc4C4CCCNC4)cc3)cc12,WZPNVIHXMHULOA-UHFFFAOYSA-N
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-rxn:4:186899:224488,CC(C)N(C(=O)c1ccc(-c2ccc(CN3CCOCC3)c(OC(F)(F)F)c2)cc1)C(C)C,FIBRFHNWUQKZKE-UHFFFAOYSA-N
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-rxn:4:187063:223573,CCOc1ccc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)cc2)cc1C(=O)N1CCOCC1,HYJXKKSGSXPOBW-UHFFFAOYSA-N
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-rxn:4:187173:222522,COc1ccc(-c2cccc([N+](=O)[O-])c2O[Si](C)(C)C(C)(C)C)cc1S(=O)(=O)N1CCC(O)CC1,YPQITAOYGUDOQL-UHFFFAOYSA-N
-rxn:4:187197:224404,COC(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)c(F)c2)cc1CN1CCCCC1,ZPYDRYUFMKATPG-UHFFFAOYSA-N
-rxn:4:187221:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3cc(F)ccc3C3CN(C(=O)OC(C)(C)C)C3)cc21,KYBCTFVZLZLZAV-UHFFFAOYSA-N
-rxn:4:187251:222433,Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1ccc(F)c(CCN2CCCC(C(F)(F)F)C2)c1,DGCOCAIXCAXFES-UHFFFAOYSA-N
-rxn:4:187270:227257,CCCOc1ccc(-c2ccc(C(F)(F)F)cc2CN2CCCC(C(F)(F)F)C2)cc1F,NHJFCQMKSITNGG-UHFFFAOYSA-N
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-rxn:4:187463:223568,COc1ccc(N2C(=O)CSC2c2cccc(-c3cnc4c(ccn4[Si](C(C)C)(C(C)C)C(C)C)c3Cl)c2)c(OC)c1,GUYAHKLLXCBBFP-UHFFFAOYSA-N
-rxn:4:187488:225276,CCCOc1cc(-c2ccc(OCC)c(S(=O)(=O)N3CCC(C)CC3)c2)ccc1C(F)(F)F,MZMMHJGWFGEQHZ-UHFFFAOYSA-N
-rxn:4:187493:222818,COC(=O)c1cc(-c2ccccc2C2CN(C(=O)OC(C)(C)C)CCO2)c(F)cc1NC(C)=O,SBAGVBHNKXWYOF-UHFFFAOYSA-N
-rxn:4:187496:223662,CC(C)(C)OC(=O)N1CCOCC1c1ccc(-c2ccc(C(=O)OCc3ccccc3)cc2[N+](=O)[O-])cc1,PORNFILUZCHNKC-UHFFFAOYSA-N
-rxn:4:187497:222740,CC(C)c1cc(-c2cccc(C3COCCN3C(=O)OC(C)(C)C)c2)cc(C2CCCNC2)n1,PIOKWKZBHRFALL-UHFFFAOYSA-N
-rxn:4:187500:222890,COc1cc(-c2cc(OC)c(C(=O)N3CCCCC3C)c(OC)c2)cc(C2CCCNC2)n1,LZIKMKNLVDZLNJ-UHFFFAOYSA-N
-rxn:4:187535:223958,CCN1CCN(C(=O)c2ccc(-c3ccccc3Oc3ccc(C(=O)N4CCC(F)(F)CC4)cc3)cc2F)CC1,ADZXSAIQTJEPBS-UHFFFAOYSA-N
-rxn:4:187538:224977,N#Cc1cc(-c2ccc(Cl)c(C(=O)N3CCOC(c4ccc(C(F)(F)F)cc4)C3)c2)ccc1N1CCCCC1,HURZKCCBSZGVTP-UHFFFAOYSA-N
-rxn:4:187542:224552,COc1cc(-c2cc(F)cc(COC3CCCCC3)c2)cc(OC)c1CN1CCC(C)CC1,JSPNLZGWCIROHE-UHFFFAOYSA-N
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-rxn:4:187554:222899,CCCCNS(=O)(=O)c1ccc(-c2cccc(C(=O)N3CCC(S(=O)(=O)C(C)(C)C)C3)c2)cc1,ZNNHKBGFGXHAHI-UHFFFAOYSA-N
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-rxn:4:187594:223556,CC(C)(C)OC(=O)N1CCCC(c2cc(F)cc(-c3ccc4c(c3)c3ccccc3n4C(=O)OC(C)(C)C)c2)C1,QHQBIXYITIAYTR-UHFFFAOYSA-N
-rxn:4:187598:223288,CNS(=O)(=O)c1cccc(-c2ccccc2C(=O)N2CC(S(=O)(=O)C3CCCCC3)C2)c1,CJQNTVRJPAXKNK-UHFFFAOYSA-N
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-rxn:4:193509:224777,O=C(c1ccc(F)c(-c2cnc(C3CCCC3)c(C(F)(F)F)c2)c1)N1CCS(=O)(=O)CC1,JFXUEVHVANEFSG-UHFFFAOYSA-N
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-rxn:4:193779:224781,Cc1ccc(-c2ccc(C3CCCO3)c(C(F)(F)F)c2)cc1C(=O)N1CCS(=O)(=O)CC1,JCBUXESWBNHPJN-UHFFFAOYSA-N
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-rxn:4:193836:224330,CC1CCN(S(=O)(=O)c2cccc(-c3ccc(Cl)c(C(=O)N4CCC(=O)CC4)c3)c2)CC1,AXWBOHXSQGNGNK-UHFFFAOYSA-N
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-rxn:4:193933:224656,COc1ccc(-c2cc(C)cc(C(=O)N3CCC(C)CC3)c2F)c(F)c1OC1CCCC1,SREYYXLWEFXAIW-UHFFFAOYSA-N
-rxn:4:193991:222537,Cc1cc(S(=O)(=O)N2CCCCCC2)c(C)cc1-c1cc(C2CCCC2)nc(C2CCCNC2)c1,XJIABCYHOYOEMC-UHFFFAOYSA-N
-rxn:4:193997:224374,COc1ccc(S(=O)(=O)N2CCCC2)cc1-c1cc(C)c(S(=O)(=O)N2CCCC(C)C2)cc1C,HQLADKBBHDQOKI-UHFFFAOYSA-N
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-rxn:4:194456:223835,Cc1cc(F)c(-c2ccc(S(=O)(=O)N3CC4CC3CS4)cc2)cc1S(=O)(=O)N1CCC(C)CC1,AGTLJIFNHHDHGK-UHFFFAOYSA-N
-rxn:4:194539:223712,COc1ccc(-c2ccc3c(c2)CN(S(=O)(=O)C(C)C)C3)cc1C12CC3CC(CC(C3)C1)C2,CZEIUXNJKLAYDR-UHFFFAOYSA-N
-rxn:4:194649:224864,CC(C)N(Cc1ccc(-c2ccc3c(c2)C=C(C(=O)N2CCOCC2)C=CO3)cc1)C(C)C,MRVMHIJUBZIEAT-UHFFFAOYSA-N
-rxn:4:194669:222545,C[C@@H]1c2ccc(-c3ccc(C(C)(C)NC(=O)OC(C)(C)C)cc3)cc2CN1C(=O)C(C)(C)C,OKAVWFYXRMPHHE-GOSISDBHSA-N
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-rxn:4:194696:224420,Cc1cc2c(cc1-c1ccc3c(c1)CCCC3=NS(=O)C(C)(C)C)C(C)(C)CCC2(C)C,UARSRWWWDIQKLS-UHFFFAOYSA-N
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-rxn:4:195710:223575,CC(C)(C)OC(=O)N1CCN(Cc2ccccc2-c2cc(F)c(Cl)cc2S(N)(=O)=O)CC1,IETKVOFGYWINIA-UHFFFAOYSA-N
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-rxn:4:201842:223784,CCN1CCN(CCOc2ccc(-c3ccc(N4CCC(OC)CC4)nc3C(=O)OC)cc2F)CC1,KTWIFLMURYNNCJ-UHFFFAOYSA-N
-rxn:4:201870:225231,CC1CCCCN1c1cc(-c2ccc(Cl)c(C(=O)N3CC(CN4C(=O)CCC4=O)C3)c2)cnc1Cl,LNVUPDPCSPLIBO-UHFFFAOYSA-N
-rxn:4:201924:222699,CC(C)(C)OC(=O)N1CCC(c2ncc(-c3ccc(C4CCCNC4)c(C(F)(F)F)c3)s2)CC1,PGXDEXDJXUYQQR-UHFFFAOYSA-N
-rxn:4:201926:222901,CCCS(=O)(=O)NCc1ccc(-c2sc(C3CCCN3C(=O)OC(C)(C)C)nc2C)cc1,OLPBNESPGCQJKJ-UHFFFAOYSA-N
-rxn:4:201930:222841,CC(C)(C)OC(=O)N1CCC(c2cnc(-c3ccc(C(=O)NC4CCCC4)cc3)s2)CC1,VAHSEQXWURXRLJ-UHFFFAOYSA-N
-rxn:4:201992:225984,CC(C)(C)OC(=O)N1CCOC(c2ccc(-c3cnc(Cl)c(N4CCOCC4)c3)nc2)C1,UWZSTIONZNLZPQ-UHFFFAOYSA-N
-rxn:4:201998:224161,CC(C)(C)OC(=O)N1Cc2ccc(-c3ccnc(C4COCCN4C(=O)OC(C)(C)C)c3)cc2C1,OTSOKTHHXLHWGX-UHFFFAOYSA-N
-rxn:4:202000:225977,CC(C)(C)OC(=O)N1CCOCC1c1ccc(-c2cc(Cl)cnc2N2CCOCC2)nc1,AWCADINPAKBENQ-UHFFFAOYSA-N
-rxn:4:202008:223064,CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1ccc(C2CCNCC2)nc1F,IOEGJYCKZACDHN-UHFFFAOYSA-N
-rxn:4:202008:223999,CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cc(S(=O)(=O)N2CCC(C)CC2)ccc1F,DAKUWECOVFXIOT-UHFFFAOYSA-N
-rxn:4:202012:225531,CCN(CC)Cc1cc(F)ccc1-c1ccc(CN2CCN(S(=O)(=O)C3CC3)CC2)cc1,XDSMAOOCLDHYJE-UHFFFAOYSA-N
-rxn:4:202015:225984,CC(C)(C)OC(=O)c1cc(-c2cnc(Cl)c(N3CCOCC3)c2)cnc1N1CCOCC1,JQZNKAIMPBCJOG-UHFFFAOYSA-N
-rxn:4:202069:223809,CC(C)(C)S(=O)(=O)C1CCN(C(=O)c2cncc(-c3cc(N4CCOCC4)cc(N4CCOCC4)c3)c2)C1,AYJWLRWDRTXHIC-UHFFFAOYSA-N
-rxn:4:202069:224716,CN(C(=O)OC(C)(C)C)c1ccc(-c2cncc(C(=O)N3CCC(S(=O)(=O)C(C)(C)C)C3)c2)cn1,NPRFXARAQIHJST-UHFFFAOYSA-N
-rxn:4:202102:224953,CC1CN(C(=O)OC(C)(C)C)CCC1c1ncc(-c2ccc(OCC3CCCCC3)nc2)s1,PJSJFOYIBLWKCS-UHFFFAOYSA-N
-rxn:4:202104:223489,CC(C)(C)OC(=O)N1CCC(c2cc(-c3ccc(S(=O)(=O)N4CCC(O[Si](C)(C)C(C)(C)C)CC4)cc3)ccn2)CC1,HBNSVHOECKXTIT-UHFFFAOYSA-N
-rxn:4:202109:223504,Cc1cc(OCC(=O)N2CCN(C)CC2)cc(C)c1-c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)c([N+](=O)[O-])c1,WWFDSVJMZJYWCS-UHFFFAOYSA-N
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-rxn:4:202143:223020,COc1cc(C)c(-c2ccc(C(=O)NCCC#N)cc2)cc1S(=O)(=O)N1CCN(C(C)=O)CC1,UNWCWYGXNBDYFF-UHFFFAOYSA-N
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-rxn:4:202240:224153,CN1CCN(Cc2ccc(C(=O)c3ccc(-c4cc(N5CCCC5)cc(N5CCCC5)c4)cc3)cc2)CC1,FBIZJUCYYIJNGU-UHFFFAOYSA-N
-rxn:4:202275:226231,CCCCOc1ncc(-c2ccc(Cl)c(C(=O)N3CCC(N4CCC(OC)C4)CC3)c2)cc1C,PCEXDHGJQJMVAM-UHFFFAOYSA-N
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-rxn:4:202290:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1ccc(S(=O)(=O)N2CCC(N3CCC(OC)C3)CC2)cc1,UDKUJVXTBLFUKD-UHFFFAOYSA-N
-rxn:4:202290:224580,COC1CCN(C2CCN(S(=O)(=O)c3ccc(-c4cc(-n5ccnc5C)ccc4C4CC4)cc3)CC2)C1,HJUDMOIRUDYRPF-UHFFFAOYSA-N
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-rxn:4:202321:226523,CC(C)(C)OC(=O)c1ccc(-c2ccc(CN3CCCC(C(F)(F)F)C3)c(N3CCCCC3)c2)s1,BALLPEJTTOFMCP-UHFFFAOYSA-N
-rxn:4:202328:222693,COC1CCN(C2CCN(S(=O)(=O)c3ccccc3-c3ccc(S(=O)(=O)NC4CCCCC4)cc3)CC2)CC1,PLCCUDFRJUBNKO-UHFFFAOYSA-N
-rxn:4:202328:224574,COC1CCN(C2CCN(S(=O)(=O)c3ccccc3-c3cc(-n4cc(C)cn4)ccc3C3CC3)CC2)CC1,UBUFXQGECOHQMM-UHFFFAOYSA-N
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-rxn:4:202351:226843,Cc1cc(S(=O)(=O)N2CCOC23CCN(C(=O)c2ccc(-c4ccc(C(=O)C(F)(F)F)nc4)cc2)CC3)ccc1F,SXNRNWIKHKRBEE-UHFFFAOYSA-N
-rxn:4:202351:228224,Cc1cc(S(=O)(=O)N2CCOC23CCN(C(=O)c2ccc(-c4cc(C#N)cc(C)c4Cl)cc2)CC3)ccc1F,OKNMEDZCCRPMQD-UHFFFAOYSA-N
-rxn:4:202596:224005,CCCN1C(=O)C(=C2C(=O)N(CCC)c3ccc(-c4cnc(Cl)c(-c5ccccc5C(F)(F)F)c4)cc32)SC1=S,RXIPQAFWOIGADU-UHFFFAOYSA-N
-rxn:4:202663:223698,O=C(Cn1ccc2cc(-c3ccc(OC(F)(F)F)c(S(=O)(=O)N4CCCC4)c3)ccc21)N1CCOC(c2ccccc2)C1,UFVUJYXWOBJMSC-UHFFFAOYSA-N
-rxn:4:202676:224308,CC(C)[Si](C(C)C)(C(C)C)n1ccc2ncc(-c3cc(F)c(F)c(O[Si](C)(C)C(C)(C)C)c3)cc21,NIZFDYGYHPNRHK-UHFFFAOYSA-N
-rxn:4:202708:222664,CCN1C(=O)C(=C2SC(=S)N(Cc3ccc(OC)cc3)C2=O)c2cc(-c3cccc(C(=O)Nc4ccc(Cl)cc4)c3)ccc21,HPSWTUMSYKFHLK-UHFFFAOYSA-N
-rxn:4:202771:223520,CC(c1ccc(-c2ccc(C(=O)CSc3nc4sc5c(c4c(=O)n3C)CCCC5)cc2)cc1)N1CCN(C(=O)OC(C)(C)C)CC1,SVWFWORMNCKQAN-UHFFFAOYSA-N
-rxn:4:202799:222629,COC(=O)c1ccc(C2c3c(oc4ccc(-c5cc(C6CCCNC6)nc(C(C)(C)C)c5)cc4c3=O)C(=O)N2c2nc(C)c(C)s2)cc1,SHCWPJHQVUNWIF-UHFFFAOYSA-N
-rxn:4:203156:223491,COC(=O)C(C)(C)n1ncc(-c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)cc(C(F)(F)F)c2)c1F,HEAHKOWOHZRTHM-UHFFFAOYSA-N
-rxn:4:203504:223579,CC1CN(C(=O)OC(C)(C)C)CCN1c1ccc(-c2ncccc2/C=N/[S@](=O)C(C)(C)C)cc1,CJERIVIEYHLBPD-CTTURBGASA-N
-rxn:4:203564:224321,COC(=O)c1cnn(C2CCCCO2)c1-c1cccc(S(=O)(=O)N2CCC(C)CC2)c1,KAAQDBFEXWWVAB-UHFFFAOYSA-N
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-rxn:4:203652:225379,COc1cc(N2CCC(F)(F)C2)c(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1[N+](=O)[O-],LMSODFHDXNSHSG-UHFFFAOYSA-N
-rxn:4:203694:223750,CC(C)(C)[Si](C)(C)Oc1c(-c2ccc(C#N)c(N3CCC(C(F)(F)F)CC3)c2)ccc2cccnc12,CFGUFVCSDNDTPJ-UHFFFAOYSA-N
-rxn:4:203702:225735,CCOc1cc(-c2cnc(C(=O)N3CCCC(C(F)(F)F)C3)c(Cl)c2)cc(Cl)c1OCC,RUSMABCXEQPMFO-UHFFFAOYSA-N
-rxn:4:203708:222745,CC(C)(C)OC(=O)NCc1cccc(-c2ccccc2C(=O)N2CC(N3C(=O)COC3=O)C2)c1,BXYWNYQIYLXGPH-UHFFFAOYSA-N
-rxn:4:203719:222523,CC(C)(C)NS(=O)(=O)c1ccc(-c2cnc(O[Si](C)(C)C(C)(C)C)nc2)c(C(F)(F)F)c1,FUMRDKWGXKQNJT-UHFFFAOYSA-N
-rxn:4:203724:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(S(=O)(=O)NN2CCCCC2)cc1,ZJHBDHMIWCYWEB-UHFFFAOYSA-N
-rxn:4:203790:226320,N#CC1(c2ccc(F)c(-c3ccc(Cl)c(C(=O)N4CC(N5C(=O)CCC5=O)C4)c3)c2)CC1,BVHAHVPBROPKCA-UHFFFAOYSA-N
-rxn:4:203810:222465,CC1CCCN(C(=O)Cc2cncc(-c3cc(C4CCCCC4)nc(C4CCCNC4)c3)c2)C1,RAUUOPDDAKPPTB-UHFFFAOYSA-N
-rxn:4:203863:223482,CCN1CCN(Cc2ccc(-c3ccc(OC(F)(F)F)c(S(=O)(=O)N4CCC5(CC4)OCCO5)c3)cc2Cl)CC1,SVSDCWBHXMVFFZ-UHFFFAOYSA-N
-rxn:4:203882:222804,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc(NC4CCS(=O)(=O)CC4)cc3)cc2)CC1,OGRJMJMJUOLCCK-UHFFFAOYSA-N
-rxn:4:203912:224253,CCN1C(=O)C(=Cc2cc(-c3ccc(F)c(C(=O)N4CCCCC4C)c3)cc(Cl)c2OC)N(C)C1=S,DLCVOPJCOYKXDD-UHFFFAOYSA-N
-rxn:4:203985:224286,O=C(c1ccccc1-c1ccc(OCCN2CCOCC2)c(Cl)c1)N1CCC(N2C(=O)COC2=O)CC1,HHHPUQLBBPNTPY-UHFFFAOYSA-N
-rxn:4:203986:225167,O=C(c1cc(F)cc(-c2ccc(Cl)c(C(=O)N3CCC(N4C(=O)CSC4=O)CC3)c2)c1)N1CCCC1,SWKFUGODVKBOMA-UHFFFAOYSA-N
-rxn:4:203994:224082,CCC(C(=O)OC(C)(C)C)c1cccc(-c2c(OC)nc(C(C)(C)C)nc2C(C)(C)C)c1,RVRYSOAMYUQYQO-UHFFFAOYSA-N
-rxn:4:204014:224751,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3ccc(F)c(C(=O)N4CCOCC4)c3)c2)CC1,PRTJWWSJNOJWDW-UHFFFAOYSA-N
-rxn:4:204031:222545,CC(C)S(=O)(=O)N1CCN(c2ccccc2-c2ccc(C(C)(C)NC(=O)OC(C)(C)C)cc2)CC1,PJYFWPANCVDCCX-UHFFFAOYSA-N
-rxn:4:204059:223681,CC(C)(C)OC(=O)n1c(-c2ccc(S(=O)(=O)N3CCN(c4ccccc4Cl)CC3)cc2)cc2cc([N+](=O)[O-])ccc21,XQBCDGIIRSZTOX-UHFFFAOYSA-N
-rxn:4:204074:226768,CSc1ccc(-c2cc(C)c(C)cc2S(=O)(=O)N2CCN(C(C)=O)CC2)cc1C(F)(F)F,ZQTFFPUWLLLTLM-UHFFFAOYSA-N
-rxn:4:204082:227263,CCOCc1ccc(-c2cccc(C(=O)N3CCC(N4C(=O)COCC4=O)CC3)c2)cc1F,PLAXYGIBEYYBLE-UHFFFAOYSA-N
-rxn:4:204103:223077,O=C(c1ccc(-c2ccc(S(=O)(=O)NC3CC3)cc2)cc1)N1CCC(N2CCCC2)CC1,UAKYLRFGDZITEO-UHFFFAOYSA-N
-rxn:4:204109:223119,C#CCNC(=O)c1cccc(-c2ccccc2S(=O)(=O)N2CCC(N3C(=O)COCC3=O)CC2)c1,LMMYORPQXAOLBV-UHFFFAOYSA-N
-rxn:4:204113:224656,COc1ccc(-c2ccc(CN3CCCCC3)c(N3CCCC3)c2)c(F)c1OC1CCCC1,DGXUMZSPGUGKJP-UHFFFAOYSA-N
-rxn:4:204136:226310,CC(C)COc1cc(-c2ccc(CN3CCCC(F)(F)C3)c(N3CCOCC3)c2)ccc1F,RLHSDHXULIANNL-UHFFFAOYSA-N
-rxn:4:204162:225571,COC(=O)c1ccc(-c2ccc(C3=NC4(CCCCC4)N(C(=O)c4ccccc4)C3=S)cc2)c(C2CC2)c1,AFWGHMQFOCUYIK-UHFFFAOYSA-N
-rxn:4:204168:222732,CC1CCN(Cc2ccc(-c3ccc(C(=O)NC4CCCCC4)cc3)cc2N2CCOCC2)CC1,QARLWOGIEXQHHL-UHFFFAOYSA-N
-rxn:4:204171:226353,COc1cc(C2CC2)cc(-c2ccc(CN3CCCC(C)C3)c(N3CCCCC3)c2)c1Cl,NSKDVDIYWIJGGK-UHFFFAOYSA-N
-rxn:4:204172:223074,CC1CCN(Cc2ccc(-c3cccc(NS(=O)(=O)C4CC4)c3)cc2N2CCCCC2)CC1,MSNVYPCBTAIGAA-UHFFFAOYSA-N
-rxn:4:204173:225340,CCOc1cc(-c2ccc(S(=O)(=O)N3CCN(c4c(C)cccc4C)CC3)cc2C)ccc1OC(F)(F)F,ONUYRGVIAHBWJO-UHFFFAOYSA-N
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-rxn:4:204231:223541,CCOC(=O)c1nc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC3(CC2)OCCO3)n2ccccc12,OINHUVGKGUBSHI-UHFFFAOYSA-N
-rxn:4:204403:223811,COCn1ncc(-c2ccc(CN3CCC4(CC3)OCCO4)c(Cl)c2)c1C12CCCC1O2,SOVRUKJWYQGVAY-UHFFFAOYSA-N
-rxn:4:204644:225295,CC(C)(C)OC(=O)N1CCOc2ncc(-c3ccccc3S(=O)(=O)N3CCCC3)cc2C1,HWZGHLSFMFNHRG-UHFFFAOYSA-N
-rxn:4:204694:225718,COC(COc1cccc(-c2ccc(N3C(=NC(=O)C4CC4)SC4CS(=O)(=O)CC43)cc2)c1)OC,WMKUVFBDOYEPHH-UHFFFAOYSA-N
-rxn:4:204706:226988,COCCCc1ccc(-c2ccc(N3C(=NC(=O)C4CC4)SC4CS(=O)(=O)CC43)c(F)c2)cc1,VXQFNGPAZJCUKI-UHFFFAOYSA-N
-rxn:4:204720:224819,CCN1CCN(Cc2cc3c(c(-c4ccc(S(=O)(=O)N5CCOCC5)cc4)c2)OCC3)CC1,JBKVDGGBODXUOA-UHFFFAOYSA-N
-rxn:4:204738:226288,CCCN1C(=O)C(=C2SC(=S)N(C(C)C)C2=O)c2cc(-c3ccc(OC)c(OC(C)C)c3)ccc21,VOUCNLWKLMOQEV-UHFFFAOYSA-N
-rxn:4:204775:224736,CCN1C(=O)C(=C2SC(=S)N(Cc3ccc(F)cc3)C2=O)c2cc(-c3ccc(C(F)(F)F)cc3OCC(C)C)ccc21,VISUSPLUPDAVLY-UHFFFAOYSA-N
-rxn:4:204778:224362,CCN(CC)S(=O)(=O)c1ccc(OC)c(-c2ccc(CN3C(=O)N(c4ccc(F)cc4)S(=O)(=O)c4ccccc43)c(F)c2)c1,ZFZVBMIVBMLGSR-UHFFFAOYSA-N
-rxn:4:204780:223157,CCNC(=O)c1cc(F)cc(-c2ccc(S(=O)(=O)N3CC(N4CC5CCCC5C4)C3)cc2)c1,ZGLISJIUJWMJAU-UHFFFAOYSA-N
-rxn:4:204805:223691,O=C(C1=CN(c2ccc(-c3cc(OCc4cccnc4)c(C(F)(F)F)cc3Cl)cc2)c2ccccc2S1(=O)=O)N1CCOCC1,JOEGVXQVIWMTQY-UHFFFAOYSA-N
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-rxn:4:204884:222912,CC(C)CNS(=O)(=O)c1ccc(-c2nc3c(s2)C2CCC(C3)N2C(=O)OC(C)(C)C)cc1,VXQDVUGEHMLQMZ-UHFFFAOYSA-N
-rxn:4:205655:223520,CC(c1ccc(-c2cncc(C(=O)N3CCC3)c2)cc1)N1CCN(C(=O)OC(C)(C)C)CC1,NEZKCGQHOXSSOJ-UHFFFAOYSA-N
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-rxn:4:205957:223929,CC(C)(C)OC(=O)N1CCc2cc(-c3ccc(N4CC(F)(F)C4)c([N+](=O)[O-])c3)cnc2C1,UYTYKNVQGGUMPT-UHFFFAOYSA-N
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-rxn:4:206737:224411,CN(C)S(=O)(=O)c1ccc(-c2cnccc2N2CCC(C(F)(F)F)CC2)c(C(F)(F)F)c1,RPCIVGMNDDNPDB-UHFFFAOYSA-N
-rxn:4:206739:223845,CN1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2cnccc2N2CCCC(C(F)(F)F)C2)CC1,RIGCXCORFPEEHH-UHFFFAOYSA-N
-rxn:4:206751:224677,O=C(c1cc(-c2cc([N+](=O)[O-])ccc2N2CCCC(F)(F)C2)ccc1Cl)N1CCCCC1,IVRCAVHPGVMCDW-UHFFFAOYSA-N
-rxn:4:206869:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(C(=O)N4CCN(C)CC4)cc3F)c(F)c2)CC1,BJKYAGDMHGQTHJ-HZCBDIJESA-N
-rxn:4:206946:222582,CS(=O)(=O)N1CCCC(c2cccc(-c3cccc(C(=O)NCCN4CCOCC4)c3)n2)C1,VQCRRVFXENYLCO-UHFFFAOYSA-N
-rxn:4:206955:222607,CN1CCN(S(=O)(=O)c2ccc(-c3ccc(NC4CCN(S(C)(=O)=O)CC4)cc3)cc2)CC1,NQJUWDWQNDWOEB-UHFFFAOYSA-N
-rxn:4:207073:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1ccc(N2CCN(C)CC2)cc1C1CC1,ZHPSBUPQJUOZOQ-UHFFFAOYSA-N
-rxn:4:207402:223491,CCCc1nc(-c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)cc(C(F)(F)F)c2)c2ccccc2n1,POEWIVYRVXCPKK-UHFFFAOYSA-N
-rxn:4:207779:225190,COc1cc(N2CCOCC2)ccc1-c1ccc(S(=O)(=O)N2CCN3CCC2CC3)cc1,QSXBARUVMXIUBQ-UHFFFAOYSA-N
-rxn:4:207788:224289,CN(C(=O)OC(C)(C)C)c1ccc(-c2ccc(C3SC[C@H]4C(=O)N(c5ccc(Cl)cc5)C(=S)N34)cc2)c(F)c1,RZOOHBHEJCPTFZ-QSAPEBAKSA-N
-rxn:4:207789:222694,CN1C(=O)C(=C2SC(=S)N(Cc3ccco3)C2=O)c2cc(-c3cccc(S(=O)(=O)NC4CCCCC4)c3)ccc21,YOTQHHDFQFHRCM-UHFFFAOYSA-N
-rxn:4:207795:225088,COc1cc(-c2cncc(C(=O)N3C4CCC3CC(=C3CC3)C4)c2)ccc1OCCN(C)C,XWXFWQORSFWTOD-UHFFFAOYSA-N
-rxn:4:207834:224089,CC(=O)N=C1SC2CS(=O)(=O)CC2N1c1c(C)cc(-c2ccc(OCCN3CCC(C)CC3)cc2)cc1C,MCLUVCSRZINLML-UHFFFAOYSA-N
-rxn:4:207910:223531,Cc1cc(N2C(=O)c3oc4ccc(-c5ccc(CN6CCN(C(=O)OC(C)(C)C)CC6)c(Cl)c5)cc4c(=O)c3C2c2cccc(F)c2)no1,SGRZVIBSXTUFCO-UHFFFAOYSA-N
-rxn:4:208523:223540,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1cc([N+](=O)[O-])cc(C)[n+]1[O-],XXHKOVUBLVUHII-UHFFFAOYSA-N
-rxn:4:208813:223533,Cc1ncc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)cc2F)c(C)c1[N+](=O)[O-],DDARPYRRBZCWTK-UHFFFAOYSA-N
-rxn:4:209475:223536,Cc1nc(C2CCC2)ncc1-c1cc(F)c(F)c(N2CCN(C(=O)OC(C)(C)C)CC2)c1,KSWHSQKUUYLZOT-UHFFFAOYSA-N
-rxn:4:209494:223504,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3csc(N4CCS(=O)(=O)CC4)n3)cc2[N+](=O)[O-])CC1,TXIPWPSXBOYXJX-UHFFFAOYSA-N
-rxn:4:211097:223823,CC(C)(C)OC(=O)N1CCC(n2cc(-c3ccc4c(c3)C3CC(c5ccc(Cl)cc5)=NN3C3(CCCC3)O4)cn2)CC1,PEYYQWWUMGIGPN-UHFFFAOYSA-N
-rxn:4:212521:223257,CONC(=O)c1ccc(-c2cnc(OC3CCN(S(=O)(=O)CCC(F)(F)F)C3)nc2)cc1,IPEVTQOCKCUBIR-UHFFFAOYSA-N
-rxn:4:212526:225338,N#CC1CCN(CCOc2ccc([N+](=O)[O-])cc2-c2ccc(F)c(COCC(F)(F)F)c2)CC1,VTDPVPDUDKFTAE-UHFFFAOYSA-N
-rxn:4:212532:222447,COc1ccc2c(c1-c1cnn(CC3CN(C(=O)c4cccc(OC(F)(F)F)c4)C3)c1)N=C(NC(=O)OC(C)(C)C)C2,IVFSLDYMOZNSIW-UHFFFAOYSA-N
-rxn:4:212547:224318,CCOCCN1CCC(Oc2ncc(-c3ccc(C(=O)N4CCN(C)CC4)c(F)c3)cn2)CC1,YDWNXPOTHQLMRX-UHFFFAOYSA-N
-rxn:4:212581:222598,Cc1cc(-c2ccc(CSC3=NCCN3S(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc(C)c1S(=O)(=O)NC1CCCC1,YITWBWFBLBCIBM-UHFFFAOYSA-N
-rxn:4:212616:223972,CC1CCCCN1c1ccc(-c2cncc(C(=O)OCC(=O)N3CCN(c4ccccc4F)CC3)c2)c(C(F)(F)F)c1,FGNVHCZDKQOYCG-UHFFFAOYSA-N
-rxn:4:212620:223561,CC(C)(C)OC(=O)N(c1ccccc1)c1ccc(-c2cc(F)ccc2CC(=O)N2CCC(COc3ncccn3)CC2)cc1,UJBQADLOCSEUMX-UHFFFAOYSA-N
-rxn:4:212622:222713,COc1ccc(S(=O)(=O)NC(C)(C)C)c(-c2cnc(OCC3CCCN(C(=O)Cc4ccc(F)cc4)C3)nc2)c1,HSEGZTMFPKAODA-UHFFFAOYSA-N
-rxn:4:212622:223822,CC(C)(C)COC(=O)c1ccc(C(F)(F)F)cc1-c1cnc(OCC2CCCN(C(=O)Cc3ccc(F)cc3)C2)nc1,MIILKFSIQWAXIT-UHFFFAOYSA-N
-rxn:4:212631:226118,CCC(C)Oc1ccc(-c2cncc(C(=O)N3CCC(COc4ncccc4C(F)(F)F)CC3)c2)cc1C,KDXMGNNKKNQQAD-UHFFFAOYSA-N
-rxn:4:212631:226374,O=C(c1cncc(-c2cncnc2C2CCCCC2)c1)N1CCC(COc2ncccc2C(F)(F)F)CC1,BIDDMUDPNMRLNP-UHFFFAOYSA-N
-rxn:4:212646:222848,CCc1cc(-c2cnn(C)c2CN(C(=O)OC(C)(C)C)C2CCOCC2)cc(C2CCCNC2)n1,UZPVIUDGBNGKSN-UHFFFAOYSA-N
-rxn:4:212649:226496,CCN(CC)c1cc(F)c(-c2cnc(OCC3CCCN(C(=O)C(C)(C)CC)C3)nc2)cn1,JYTVOKHJWKNXNX-UHFFFAOYSA-N
-rxn:4:212650:225518,CCCCCOc1ncc(C)cc1-c1cnc(OCC2CCCN(C(=O)CC(C)(C)C)C2)nc1,GYCVNNXZDVGXEB-UHFFFAOYSA-N
-rxn:4:212657:223918,COc1ccccc1CN1CCCC(COc2ncc(-c3cc(C(=O)N(C)C4CCCCC4)ccc3F)cn2)C1,WWCQYNATPFLQNY-UHFFFAOYSA-N
-rxn:4:212685:225975,COC(=O)c1ccc(N2CCN(S(=O)(=O)c3ccc(-c4ccnc(N5CCOCC5)c4Cl)cc3)CC2)c([N+](=O)[O-])c1,BTAUPCYSOYTGBZ-UHFFFAOYSA-N
-rxn:4:212691:226715,CN(C(=O)c1ccc(-c2cnn(C(=O)OC(C)(C)C)c2)nc1)C1CCN(C(=O)OC(C)(C)C)CC1,NISFYICCKSOXEF-UHFFFAOYSA-N
-rxn:4:212691:227330,COC(=O)c1ccc(-c2ccc(C(=O)N(C)C3CCN(C(=O)OC(C)(C)C)CC3)cn2)c(C)c1,XWROPGJVJNZRJY-UHFFFAOYSA-N
-rxn:4:212710:225172,Cc1ncnc(OCC2CCN(C(=O)Cc3ccc(-c4cc(CN5CCOCC5)ccc4F)cc3)CC2)c1C,DPJZOUOCNKGUNQ-UHFFFAOYSA-N
-rxn:4:212723:222890,CCOc1ccc(-c2noc(C3CCN(S(=O)(=O)c4ccc(-c5cc(OC)nc(C6CCCNC6)c5)cc4)CC3)n2)cc1,RNURXFJGUBPVLG-UHFFFAOYSA-N
-rxn:4:212729:223508,COc1ccc(-c2noc(C3CCCN(S(=O)(=O)c4ccc(-c5ccc(N6CCN(S(=O)(=O)c7ccc(Cl)cc7)CC6)nc5)cc4)C3)n2)cc1OC,DDXIHHWPWQYKLO-UHFFFAOYSA-N
-rxn:4:212738:223591,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cc(N4CCN(C(=O)OC(C)(C)C)CC4)ccc3F)cc2N2CCOCC2)CC1,XKDSJSRVPGFXEU-UHFFFAOYSA-N
-rxn:4:212738:224273,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cc4ncccc4n3C(=O)OC(C)(C)C)cc2N2CCOCC2)CC1,VTIJMVIJIBQXSH-UHFFFAOYSA-N
-rxn:4:212738:224468,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cc(-c4ccsc4)cc(C(C)(C)C)c3)cc2N2CCOCC2)CC1,MGHMDAWSARPYIZ-UHFFFAOYSA-N
-rxn:4:212740:226640,Cc1ccn(-c2cncc(-c3cc(CN4CCCCC4)cc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)c2)n1,MBDCVTZQZYNUHD-UHFFFAOYSA-N
-rxn:4:212771:224958,CN(C)CCN(C(=O)C1=COCCO1)c1nc2ccc(-c3cccc(OCC4CCCCO4)c3)cc2s1,RSMORQVCRQAHTM-UHFFFAOYSA-N
-rxn:4:212799:225048,Cc1cc(N2CCN(C)CC2)ccc1-c1ccc2nc(N(CCN(C)C)C(=O)C3CCCCC3)sc2c1,RNIJTKNYWHURRZ-UHFFFAOYSA-N
-rxn:4:212814:223289,CNS(=O)(=O)c1ccccc1-c1c2c(nn1C(=O)OC(C)(C)C)C(C)(C)N(C(=O)OC(C)(C)C)C2,AARZYNGCKPEQQD-UHFFFAOYSA-N
-rxn:4:212814:227857,Cn1ccc2cccc(-c3c4c(nn3C(=O)OC(C)(C)C)C(C)(C)N(C(=O)OC(C)(C)C)C4)c21,BLSIAIOOCBHKIQ-UHFFFAOYSA-N
-rxn:4:212930:223995,CN1CCN(c2cc(-c3ccc(C(=O)N4CCN=C4SCc4cccnc4)cc3)cc(C(F)(F)F)c2)CC1,LMXHATYISBWMFV-UHFFFAOYSA-N
-rxn:4:212992:222817,COc1ccc(S(=O)(=O)NC2CC2)cc1-c1cnc(OCC2CCCN(S(=O)(=O)C3CC3)C2)nc1,NLXDWOGMSMZARL-UHFFFAOYSA-N
-rxn:4:213003:222700,O=C(c1cc(C2CC2)on1)N1CCC(Oc2ccncc2-c2ccc(C(F)(F)F)cc2C2CCCNC2)C1,LAYDNMGSELPLEU-UHFFFAOYSA-N
-rxn:4:213010:225898,CC(C)(C)OC(=O)N1CCO[C@H](Cn2cc(-c3cnn(CCN4CCOCC4)c3)cn2)C1,WRPZLRSOWPLTOY-FQEVSTJZSA-N
-rxn:4:213074:223174,CCS(=O)(=O)Nc1ccc(-c2nccn2CC2CCN(C(=O)OC(C)(C)C)CC2)cc1,FWRPFGYVWHCUAV-UHFFFAOYSA-N
-rxn:4:213076:222677,CC(C)N(C(C)C)S(=O)(=O)c1ccc(-n2cc(-c3ccc(F)cc3CNC(=O)OC(C)(C)C)cn2)cc1,ZWOWJILDQDZDKV-UHFFFAOYSA-N
-rxn:4:213076:223570,CC(C)N(C(C)C)S(=O)(=O)c1ccc(-n2cc(-c3c(F)ncc4c3ccn4[Si](C(C)C)(C(C)C)C(C)C)cn2)cc1,XDKYLMPPCVTKRG-UHFFFAOYSA-N
-rxn:4:213080:223156,CCNC(=O)c1ccc(F)c(-c2cncc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)c1,YNWZJHRDYYAOLC-UHFFFAOYSA-N
-rxn:4:213104:226123,COCc1ccc(-c2cccnc2OC2CCN(C(=O)CN3C(=O)CCC3=O)CC2)cc1C1CC1,NAJXIDONSGOAPU-UHFFFAOYSA-N
-rxn:4:213123:225217,CC1CCCN(c2cc(F)c(-c3ccccc3CC(=O)N3CCN(c4ccnc(C(F)(F)F)c4)C(=O)C3)cn2)C1,ASAQKBHOTMZDCN-UHFFFAOYSA-N
-rxn:4:213124:222622,CCC(C)c1cc(-c2cnc(N(CC(C)C)C3CCCCC3)c([N+](=O)[O-])c2)cc(C2CCCNC2)n1,YSFKGPBXYWBSSY-UHFFFAOYSA-N
-rxn:4:213127:222812,CC(C)(C)OC(=O)Nc1cc(-c2ccnc(CN3CCN(C(=O)OC(C)(C)C)CC3)c2)cnc1Cl,ZJZMNHWQVBLWTD-UHFFFAOYSA-N
-rxn:4:213132:225203,Cc1cc(C2CC2)c(C(F)(F)F)cc1-c1cnc(OCC2CCCN(C(=O)C(C)(C)C)C2)nc1,KXSVALHCTKTCEK-UHFFFAOYSA-N
-rxn:4:213134:226540,CCOC(=O)c1ccc(F)c(-c2cnc(OC3CCN(C(=O)C(C)(C)CC)CC3)nc2)c1,PSEVXYFCFNZSRM-UHFFFAOYSA-N
-rxn:4:213137:222471,CCOC(=O)c1nc(N2CCN(C(C)C)CC2)ccc1-c1ccccc1CNc1ccc(C(=O)OC)cc1,LBIRAQHJDBJHJA-UHFFFAOYSA-N
-rxn:4:213191:223178,CONC(=O)c1ccc(F)c(-c2ccc(C(=O)N3CCCN(C(=O)OC(C)(C)C)CC3)cn2)c1,YHDBVZPQGYUHIQ-UHFFFAOYSA-N
-rxn:4:213203:223842,Cc1ccc(OCC2CCN(S(=O)(=O)c3ccc(-c4cc(F)c(F)cc4S(=O)(=O)N4CCC(C)CC4)cc3)CC2)nn1,RQODDIIPNTXBNQ-UHFFFAOYSA-N
-rxn:4:213223:224127,CCN1CCN(C(C)c2ccc(-c3ccc(OC)cc3C(=O)N3CCC(Cn4ccnc4C)CC3)cc2)CC1,NPASVNHOFAFARJ-UHFFFAOYSA-N
-rxn:4:213237:222486,CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1c1ncc(-c2ccc(-c3cncc(-c4cncc(C5CCCCN5)c4)c3)cc2)[nH]1,APKIEXFVEXGBCY-ACEFPKFPSA-N
-rxn:4:213237:225799,CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1c1ncc(-c2ccc(-c3cncc(OC4CCOCC4)c3)cc2)[nH]1,UUZVLOYDXZOGON-DEOSSOPVSA-N
-rxn:4:213259:223183,CNS(=O)(=O)c1ccc(-c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)C(C)(C)C3)cn2)c(C)c1,FCHHSSRNFRZLHY-UHFFFAOYSA-N
-rxn:4:213262:223790,CN(C)c1ccc(C(=S)N2CCN(C(=S)c3ccc(-c4cncc(C5CCCN5C(=O)OC(C)(C)C)c4)cc3)CC2)cc1,GEVWMWUYTXHCQR-UHFFFAOYSA-N
-rxn:4:213265:223832,COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1-c1ccc(C(=O)N2CCC(N3CCC(Oc4nccs4)CC3)CC2)o1,RNYZFLJNPZQTBM-UHFFFAOYSA-N
-rxn:4:213275:222807,COc1ccc(S(=O)(=O)N2CCC(c3nc(-c4ccccc4-c4cc(C(=O)NC5CC5)cc([N+](=O)[O-])c4)no3)CC2)cc1,WONDILUVIOVOHB-UHFFFAOYSA-N
-rxn:4:213281:228695,CN(C)Cc1cc(-c2cccnc2OC2CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)CC2)cs1,SHGHVUNLIPLKMM-UHFFFAOYSA-N
-rxn:4:213349:224174,CCN(C(=O)OC(C)(C)C)c1ccc(-c2nn(Cc3ccccc3)c3c2CN(C(=O)OC(C)(C)C)C3)cc1,FDHZTNMCJYIRJE-UHFFFAOYSA-N
-rxn:4:213354:224782,CN1CCN(c2cc(-c3ccc(CN4CC5CC(C4)N5C(=O)OC(C)(C)C)nc3)cc(F)c2F)CC1,SPRDTDZWMOKXMD-UHFFFAOYSA-N
-rxn:4:213360:224621,C#CCn1c(=NC(=O)c2ccc(N3C(=O)CCC3=O)cc2)sc2cc(-c3ccc(OCCN4CCSCC4)cc3)ccc21,HFALKJKSUFEAIR-UHFFFAOYSA-N
-rxn:4:213380:226555,CCCOc1cc(-c2ccc(-n3c(SCC(=O)N4CCCCC4)nc4c(c3=O)SCC4)cc2)c(F)cc1F,YABSIBYUVYNPFW-UHFFFAOYSA-N
-rxn:4:213388:226016,CC(C)(C)OC(=O)N1CCC(Cn2ccc3c(-c4ccc(OCC(F)(F)F)cc4Cl)ccnc32)CC1,GAKQFNAYYLHSHP-UHFFFAOYSA-N
-rxn:4:213396:224774,O=C(Cn1ccc2cc(-c3ccc(N4CCCC4)c(C(F)(F)F)c3)ccc21)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1,DZJVUKQQQIZHPV-UHFFFAOYSA-N
-rxn:4:213414:226243,CCOC(=O)Cc1ccc(-c2ccc3[nH]c(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4C)cc3c2)cc1,ZVZSLVZZLBPPTM-UHFFFAOYSA-N
-rxn:4:213424:225517,CN(C)CCCOc1cccc(-c2ccc(C(=O)N3CCC(COc4cc5c(nn4)CCCC5)CC3)cc2)c1,LSNZKWWWCCPVSG-UHFFFAOYSA-N
-rxn:4:213451:228919,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5cc(Cl)cnc5SC)cc43)C(=O)N2c2ccc(CC)cc2)cc1,QSENVKRWKZZRSS-UHFFFAOYSA-N
-rxn:4:213473:223812,CC(=O)N1CCc2c(sc3nc(SCc4ccc(-c5cc(F)cc(CN6CCC7(CC6)OCCO7)c5)cc4)n(-c4ccccc4C)c(=O)c23)C1,DAVFQGTZCJZVGS-UHFFFAOYSA-N
-rxn:4:213474:228200,CC(C)(C)OC(=O)N1CC2(CC2)C[C@H]1c1ncc(-c2ccc3c(c2)C(F)(F)c2cc(-c4ccnn4C4CCCC4)ccc2-3)[nH]1,OGGMWUHPYXOYJW-PMERELPUSA-N
-rxn:4:213474:228201,CC(C)(C)OC(=O)N1CC2(CC2)C[C@H]1c1ncc(-c2ccc3c(c2)C(F)(F)c2cc(-c4cnc(C5CCC5)nc4)ccc2-3)[nH]1,VIPAGMLOFJGGPY-LJAQVGFWSA-N
-rxn:4:213474:228349,CC(C)(C)OC(=O)N1CC2(CC2)C[C@H]1c1ncc(-c2ccc3c(c2)C(F)(F)c2cc(-c4cnn(C5CCOC5)c4)ccc2-3)[nH]1,KNXVVTIKTJIXQI-IZCXSWDTSA-N
-rxn:4:213474:228701,CC(C)(C)OC(=O)N1CC2(CC2)C[C@H]1c1ncc(-c2ccc3c(c2)C(F)(F)c2cc(-c4cnc(C5CC5)nc4)ccc2-3)[nH]1,CGDCOWXZBOATEH-NDEPHWFRSA-N
-rxn:4:213474:228703,CC(C)(C)OC(=O)N1CC2(CC2)C[C@H]1c1ncc(-c2ccc3c(c2)C(F)(F)c2cc(-c4cnn(C5CCC5)c4)ccc2-3)[nH]1,MHXNIKASQJTURI-LJAQVGFWSA-N
-rxn:4:213474:228879,CC(C)(C)OC(=O)N1CC2(CC2)C[C@H]1c1ncc(-c2ccc3c(c2)C(F)(F)c2cc(-c4ccnn4C4COC4)ccc2-3)[nH]1,VKYONAUOCSEFFV-NDEPHWFRSA-N
-rxn:4:213474:229057,CC(C)(C)OC(=O)N1CC2(CC2)C[C@H]1c1ncc(-c2ccc3c(c2)C(F)(F)c2cc(-c4cnn(C5CC5)c4)ccc2-3)[nH]1,RPGQWDHQWBRVIG-NDEPHWFRSA-N
-rxn:4:213474:229064,CC(C)(C)OC(=O)N1CC2(CC2)C[C@H]1c1ncc(-c2ccc3c(c2)C(F)(F)c2cc(-c4ccnn4C4CC4)ccc2-3)[nH]1,TZWUMTSRDMISAA-NDEPHWFRSA-N
-rxn:4:213474:229080,CC(C)(C)OC(=O)N1CC2(CC2)C[C@H]1c1ncc(-c2ccc3c(c2)C(F)(F)c2cc(-c4cnc(C5CC5)s4)ccc2-3)[nH]1,HRJPBIVQNLREAH-SANMLTNESA-N
-rxn:4:213627:222545,CC(=O)N1CCCC1CCc1cnc(-c2ccc(C(C)(C)NC(=O)OC(C)(C)C)cc2)cn1,HWLNLGSLDZFNQS-UHFFFAOYSA-N
-rxn:4:213657:224991,CC(C)(C)OC(=O)N1C[C@@H](n2cc(-c3cc(C4CC4)nc(N4CCCC4)c3)cn2)CO1,ZASKZUPELLTDIC-LJQANCHMSA-N
-rxn:4:213657:225943,CC(C)(C)OC(=O)N1C[C@@H](n2cc(-c3ccc(C(=O)N4CCOCC4)s3)cn2)CO1,JKJQMNLANLAQFL-OAHLLOKOSA-N
-rxn:4:213663:224755,CC(C)(C)OC(=O)N1CC(c2ncc(-c3cc(C(=O)N4CCOCC4)ccc3F)cn2)C1,SYAQCCHQICKIBP-UHFFFAOYSA-N
-rxn:4:213764:223940,CC(C)(C)OC(=O)N1CCC(c2cnc(-c3ccc4c(c3)OCCN4C(=O)OC(C)(C)C)cn2)C1,WTNBMMXXXZRVJW-UHFFFAOYSA-N
-rxn:4:213792:223576,Cc1c(S(=O)(=O)c2ccc(-c3cccc(OC4CCN(C(=O)OC(C)(C)C)CC4)c3)cc2)nnn1-c1cccc(C(F)(F)F)c1,GLPOUSFARBUKBV-UHFFFAOYSA-N
-rxn:4:213798:223812,CC(C)(C)OC(=O)N1CCOC(c2cnc(-c3cc(F)cc(CN4CCC5(CC4)OCCO5)c3)cn2)C1,GERXUDZQYVUQRW-UHFFFAOYSA-N
-rxn:4:213800:225984,CC(C)(C)OC(=O)N1CCOCC1c1cc(-c2cnc(Cl)c(N3CCOCC3)c2)ncn1,LMHBPKKVKWKYTO-UHFFFAOYSA-N
-rxn:4:213801:225325,CCOC(=O)c1cc(-c2cncc(C3CN(C(=O)OC(C)(C)C)CCO3)n2)cc([N+](=O)[O-])c1,MOUAKMLTOUNBCC-UHFFFAOYSA-N
-rxn:4:213801:225875,CC(C)(C)OC(=O)N1CCOC(c2cncc(-c3ccc(N4CCOCC4)cc3Cl)n2)C1,COUVQTOINSJFBI-UHFFFAOYSA-N
-rxn:4:213805:225665,CC(C)(C)OC(=O)N1CCOC(c2ncc(-c3ccc(Cl)cc3N3CCCCC3)cn2)C1,ZGQBJXLSOYYZTB-UHFFFAOYSA-N
-rxn:4:213822:222546,Cc1nccc(OC2CCN(C(=O)c3cc(-c4ccc(OCCNC5CCCCC5)c(F)c4)ccc3Cl)C2)n1,SLZZSWOKUICNQN-UHFFFAOYSA-N
-rxn:4:213846:223640,CCOC12C(=O)c3cc(F)cc(-c4cccc(C(=O)N5CCN(S(=O)(=O)N(C)C)CC5)c4)c3C(=O)C1C2(C)C,NAYFGMKEMSNWIP-UHFFFAOYSA-N
-rxn:4:213880:223062,CC(C)(C)OC(=O)N1CCN(c2cnccc2-c2cnc(C3CCNCC3)cc2F)CC1,PZJSFWDNNVTMBB-UHFFFAOYSA-N
-rxn:4:213895:222584,CC(C)(C)OC(=O)N1CCCCC1c1ncc(-c2ccc(OCCCN3CCNCC3)c(F)c2)cn1,ZCWSTNYRWYSDTD-UHFFFAOYSA-N
-rxn:4:213898:223945,CC(C)(C)C(=O)N1CCC(Oc2ncc(-c3ccc(OCCCN4CCOCC4)c(F)c3)cn2)CC1,XVTAOJPLANRLFY-UHFFFAOYSA-N
-rxn:4:213901:223818,CC(C)(C)OC(=O)N1CCN(c2nc(Cl)ccc2-c2c(F)cc(F)c3c2ccn3C(=O)OC(C)(C)C)CC1,UHCAGDKEOOQHOJ-UHFFFAOYSA-N
-rxn:4:213902:224718,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3ccc(OCCN4CCOCC4)nc3)cc2F)CC1,WWXPVMIRRQZTHH-UHFFFAOYSA-N
-rxn:4:213906:222695,Cc1ccc(-c2ccc(S(=O)(=O)N3CCC(Cn4cccn4)CC3)cc2)cc1S(=O)(=O)NC1CCCC1,UVSDRKRLEZIWCW-UHFFFAOYSA-N
-rxn:4:213940:224805,CCOC(=O)c1cc(-c2cnn(C)c2C2CCCN(C(=O)OC(C)(C)C)C2)cc(C(F)(F)F)c1,AHWQHUOQTXOMIG-UHFFFAOYSA-N
-rxn:4:213950:223490,Cc1ccc(-c2cnc(OC3CCN(S(=O)(=O)C4CCCCC4)C3)nc2)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,GOGQOGPDIZBBHK-UHFFFAOYSA-N
-rxn:4:213970:222537,Cc1ccc(S(=O)(=O)N2CCC(Oc3ncc(-c4cc(C5CCCC5)nc(C5CCCNC5)c4)cn3)CC2)cc1,XJEIBICJSMFEAW-UHFFFAOYSA-N
-rxn:4:213985:226417,Cc1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)c(-c2cc(Cl)cc(N3CCCC3)c2)c1,OFPOAKPQVOZDRY-UHFFFAOYSA-N
-rxn:4:214014:225938,O=C(c1cncc(-c2cc(C(F)(F)F)ncc2C2CC2)c1)N1CCCSCC1CN1CCCC1,HCUKCJZEMWKSST-UHFFFAOYSA-N
-rxn:4:214016:224782,CN1CCN(c2cc(-c3ccc(-c4ccc(=O)n(CC(=O)N5CCCCCC5)n4)cc3)cc(F)c2F)CC1,UPUJSOCYXGBWLF-UHFFFAOYSA-N
-rxn:4:214024:224213,O=C(C1CCC(F)(F)CC1)N1CCC(Oc2ncc(-c3cc(F)ccc3OCc3cccc(F)c3)cn2)CC1,XQAASSIHOCFJPM-UHFFFAOYSA-N
-rxn:4:214033:226912,Cc1cc(CC(C)C)cc(-c2cc(C3=N[C@@H](C(C)C)CO3)nc(C3=N[C@@H](C(C)C)CO3)c2)c1,UQIPIRYYODDWIU-CLJLJLNGSA-N
-rxn:4:214033:228415,CC(C)[C@H]1COC(c2cc(-c3cc(F)ccc3C(F)F)cc(C3=N[C@@H](C(C)C)CO3)n2)=N1,MTBIZSWHKYKRJE-NHCUHLMSSA-N
-rxn:4:214056:222694,CC(=O)N1CCN(C2=NC(=O)C(=Cc3ccc(-c4ccccc4-c4cccc(S(=O)(=O)NC5CCCCC5)c4)o3)S2)CC1,WQHFJRBCOKEJMX-UHFFFAOYSA-N
-rxn:4:214061:222538,c1ccc([C@H]2COC(c3cc(-c4cc(C5CCCC5)nc(C5CCNCC5)c4)cc(C4=N[C@@H](c5ccccc5)CO4)n3)=N2)cc1,YPEGCHZGONRMNP-LQFQNGICSA-N
-rxn:4:214062:227251,CCCOc1ccc(F)cc1-c1ccc(CN2CCN(CC)CC2)c(N2CCOCC2)c1,XKGGKTIKASWRIL-UHFFFAOYSA-N
-rxn:4:214064:223177,CS(=O)(=O)NCc1ccc(-c2ccc(CN3CCN(S(C)(=O)=O)CC3)c(N3CCOCC3)c2)cc1,RLNKWMYQHYXABP-UHFFFAOYSA-N
-rxn:4:214064:228106,CCC(C)c1ncc(-c2ccc(CN3CCN(S(C)(=O)=O)CC3)c(N3CCOCC3)c2)cn1,ZZTJYQDQOUUAPJ-UHFFFAOYSA-N
-rxn:4:214074:223255,CONC(=O)c1cccc(-c2ccc(S(=O)(=O)n3nc(C)c(S(=O)(=O)N4CCCC(C)C4)c3C)cc2)c1,BOGVGGHPJKQMIO-UHFFFAOYSA-N
-rxn:4:214075:224483,O=C1CN(C2CCN(Cc3ccc(-c4ccc(OCCN5CCCCC5)cc4)cc3)CC2)C(=O)N1c1ccccc1,MHMBIXVPFDRHPE-UHFFFAOYSA-N
-rxn:4:214082:228201,CC(C)N1CCN(Cc2ccc(-c3cnc(C4CCC4)nc3)cc2N2CCOCC2)CC1,XOMPNTIVJUOCBH-UHFFFAOYSA-N
-rxn:4:214162:222933,CC(C)(C)OC(=O)Nc1ncc(-c2ccc3[nH]c(C(=O)N4CCN(CC(F)(F)F)CC4)cc3c2)cn1,MBVBCAJBZXJULY-UHFFFAOYSA-N
-rxn:4:214183:224552,CC(C)(C)OC(=O)N1CC(c2ncn3cc(-c4cc(F)cc(COC5CCCCC5)c4)ccc23)C1,QQBOEMITUSGKRR-UHFFFAOYSA-N
-rxn:4:214274:223079,CC(C)NS(=O)(=O)c1cccc(-c2cccc3c2cnn3C2CCN(C(=O)OC(C)(C)C)CC2)c1,ATCVYSNMEPOWNY-UHFFFAOYSA-N
-rxn:4:214304:223826,CC(C)(C)OC(=O)N1CCc2c(c(-c3ccc(Oc4ccc(OC(F)(F)F)cc4)cc3)nn2C2CCOCC2)C1,XKJMLFZNYOVYTI-UHFFFAOYSA-N
-rxn:4:214317:223490,COc1cccc(-n2cc(-c3nc(-c4ccc(-c5ccc(C)c(S(=O)(=O)N6CCN(C(=O)OC(C)(C)C)CC6)c5)cc4)no3)c3ccccc3c2=O)c1,WNRQXASSPATOMU-UHFFFAOYSA-N
-rxn:4:214339:223992,COc1ccc(CN2C(=O)CCC(n3c(=O)n(C)c4cc(-c5ccc(C)c(S(=O)(=O)N6CCN(C)CC6)c5)ccc43)C2=O)cc1,YSCSVKKELQVMFC-UHFFFAOYSA-N
-rxn:4:214366:223960,CCN1CCN(C(=O)c2cc(-c3ccccc3CCC(=O)N3C4CCC3c3cncnc3C4)ccc2F)CC1,WESQOSVSYGETGM-UHFFFAOYSA-N
-rxn:4:214729:222628,c1ncc(N2CCN(CC3CC3)CC2)cc1-c1cc(C2CCC2)nc(C2CCCNC2)c1,ACONDMGYHOPZLQ-UHFFFAOYSA-N
-rxn:4:214745:224009,COc1ccc(-c2ccc(C#N)c(N3CCC(N(C)C)CC3)c2)cc1S(=O)(=O)N1CCOCC1,GRYKGVVUTWBYSH-UHFFFAOYSA-N
-rxn:4:214758:223748,Cn1cc(-c2cc(C(=O)N3CCCC3)cc(-c3cc(N4CCCCC4)cc(N4CCCCC4)c3)c2)cn1,UAFMDOVXEVITRH-UHFFFAOYSA-N
-rxn:4:214830:223595,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc(N4CCOC(C(=O)N5CCSCC5)C4)nc3)cc2F)CC1,LCITTYYWQBEAOA-UHFFFAOYSA-N
-rxn:4:214835:222916,O=C(NC1=NCCS1)c1cccc(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCOCC3)C2)c1,QHSCIWKOGGPMBU-UHFFFAOYSA-N
-rxn:4:214837:224915,Cc1cc(N2CCCCC2C)ccc1-c1cnc(N2CCOC(C(=O)N3CCSCC3)C2)c(Cl)c1,HZKVEUPQLIHPRU-UHFFFAOYSA-N
-rxn:4:214838:223994,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cnc(N2CCOC(C(=O)N3CCOCC3)C2)c(F)c1,LJEPINVFUQVTHS-UHFFFAOYSA-N
-rxn:4:214851:223972,CC1CCCCN1c1ccc(-c2cncc(C(=O)N3CCCN(C4CCC4)CC3)c2)c(C(F)(F)F)c1,LUZHBJXKKYZIQC-UHFFFAOYSA-N
-rxn:4:214862:225319,O=C(c1cncc(-c2cc(F)c(F)c(N3CCOCC3)c2)c1)N1CCCN(C2CCSC2)CC1,QAEGTOFQKDUFDX-UHFFFAOYSA-N
-rxn:4:214862:225361,O=C(c1cncc(-c2cn(C3CCCC3)nc2C(F)(F)F)c1)N1CCCN(C2CCSC2)CC1,PFUINGKWIJIEHM-UHFFFAOYSA-N
-rxn:4:214862:226719,CCOC(=O)c1cnc(Cl)c(-c2cncc(C(=O)N3CCCN(C4CCSC4)CC3)c2)c1,LRDQYLBGESLPHZ-UHFFFAOYSA-N
-rxn:4:214865:223071,CCS(=O)(=O)NCc1ccc(-c2cccnc2N2CCCC(C(=O)N3CCOCC3)C2)cc1,BCKBCNHPLXUAMY-UHFFFAOYSA-N
-rxn:4:214870:227275,CCCOc1c(F)cccc1-c1cc(Cl)cnc1N1CCCC(C(=O)N2CCOCC2)C1,KUZCAVRNPLWCGD-UHFFFAOYSA-N
-rxn:4:214871:223595,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(N4CCCC(C(=O)N5CCOCC5)C4)c(Cl)c3)cc2F)CC1,JPUMPMJRCYCMNT-UHFFFAOYSA-N
-rxn:4:214871:227249,CCCOc1ccc(Cl)c(-c2cnc(N3CCCC(C(=O)N4CCOCC4)C3)c(Cl)c2)c1,RCBBCGPVQJPVQU-UHFFFAOYSA-N
-rxn:4:214872:223028,CCCNC(=O)c1ccc(F)c(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCCCC3)C2)c1,JKSLTFFQBXOQJB-UHFFFAOYSA-N
-rxn:4:214873:226231,CCCCOc1ncc(-c2cnc(N3CCCC(C(=O)N4CCOCC4)C3)c(F)c2)cc1C,WHTDEOVTUBSDRW-UHFFFAOYSA-N
-rxn:4:214873:226554,CCCOc1cc(F)c(-c2cnc(N3CCCC(C(=O)N4CCOCC4)C3)c(F)c2)cc1F,AEEZKNAPLVRTNL-UHFFFAOYSA-N
-rxn:4:214874:223650,CC(C)(C)OC(=O)N1CCN(c2ccccc2-c2cnc(N3CCOC(C(=O)N4CCCCC4)C3)c(F)c2)CC1,FRKDLCBNANBQBC-UHFFFAOYSA-N
-rxn:4:214875:223755,CC1CCN(CCCOc2ccc(-c3cnc(N4CCCC(C(=O)N5CCSCC5)C4)c(F)c3)cc2F)CC1,CSMJSSPFRCSOKJ-UHFFFAOYSA-N
-rxn:4:215060:222636,C[C@@H](NC(=O)OC(C)(C)C)c1ccc(-c2ncn3c2CN(C(=O)OC(C)(C)C)CC3)cc1,AHHLJKOSPVZHME-MRXNPFEDSA-N
-rxn:4:215075:225231,CC1CCCCN1c1cc(-c2cnn(C3CC4CCC(C3)N4CC(F)(F)F)c2)cnc1Cl,NBXCPGZQSPMBNS-UHFFFAOYSA-N
-rxn:4:215097:225280,COc1nc(OC)c([Si](C)(C)C)cc1-c1ncc2n1C(C)CN(C(=O)OC(C)(C)C)C2,GASSMNHVDCKPEN-UHFFFAOYSA-N
-rxn:4:215102:225232,CC1CCN(c2cc(-c3cn4c(n3)CCN(C(=O)OC(C)(C)C)CC4)cnc2Cl)CC1,GBRBAGHMWITFMU-UHFFFAOYSA-N
-rxn:4:215110:224167,Cc1nc(-c2ccc(CN(C)C(=O)OC(C)(C)C)cc2)c2n1CCN(C(=O)OC(C)(C)C)C2,HHRCWZFYYVGHDP-UHFFFAOYSA-N
-rxn:4:215148:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2ncc3n2CC(C)(C)N(C(=O)OC(C)(C)C)C3)cc1,LSUFMLJKDUKUHI-UHFFFAOYSA-N
-rxn:4:215170:227024,CC(c1cccc(-c2cncc(C(=O)N3CC(N4C(=O)C5CC=CCC5C4=O)C3)c2)c1)N(C)C,KYZQRTJKSPUDGW-UHFFFAOYSA-N
-rxn:4:215189:224718,CC(C)(C)C(=O)N1CCN(c2nc3ccc(-c4ccc(OCCN5CCOCC5)nc4)cc3s2)CC1,LTCCISJXXWEDGY-UHFFFAOYSA-N
-rxn:4:215198:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3ccc4nc(N5CCOC(C(=O)N6CCOCC6)C5)sc4c3)c2Cl)CC1,RYAAKCKKLHQTKX-UHFFFAOYSA-N
-rxn:4:215234:223830,CCN1CCN(S(=O)(=O)c2cc(-c3ccc4oc(C(=O)N5CCC(c6nc7ccccc7[nH]6)CC5)c(C)c4c3)ccc2C)CC1,YHDRBKJINJDIMM-UHFFFAOYSA-N
-rxn:4:215300:222983,OC1CCN(Cc2cccc(-c3ccc4c(c3)C3CC(c5ccco5)=NN3C3(CCN(Cc5ccccc5)CC3)O4)c2)C1,AWGLHYJAQJUJME-UHFFFAOYSA-N
-rxn:4:215310:224997,CC(=O)OC1=C2C(=Nc3c(c(=O)n(C)c(=O)n3C)C2c2ccc(-c3ccc(C(=O)N4CCCCC4)cc3)cc2)c2ccccc21,WKBGMHUTORJVJP-UHFFFAOYSA-N
-rxn:4:215673:223573,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cnc(N4CCC(F)(F)C4)c(C#N)c3)cc2)CC1,DXMVQYLVPFJJMG-UHFFFAOYSA-N
-rxn:4:215708:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cnc(C(=O)N4CCOCC4)nc3)ccn2)CC1,QLLMQKUNZMGLJJ-UHFFFAOYSA-N
-rxn:4:215780:224312,CN1CCN(C(=O)c2cc(-c3cnc(N4CCC(F)(F)CC4)c(C#N)c3)ccc2F)CC1,CSAMQQPTXZNQRT-UHFFFAOYSA-N
-rxn:4:215842:223490,Cc1ccc(-c2c(C)nn(C(=O)N3CCOCC3)c2C)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,AFVIVQFGOKHIND-UHFFFAOYSA-N
-rxn:4:215896:223500,CN1CCN(c2ccc([N+](=O)[O-])cc2-c2ccc(F)c(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)CC1,VDYVADLWPDYBDD-UHFFFAOYSA-N
-rxn:4:215905:223534,Cc1nc(N2CCOCC2)c(C#N)c(C)c1-c1cc(OC2CCN(C(=O)OC(C)(C)C)CC2)ncc1F,DLPYEJGTGCGJIA-UHFFFAOYSA-N
-rxn:4:215906:222679,COc1ccc(NC(=O)OC(C)(C)C)cc1-c1cncc(S(=O)(=O)N2CCN(C)CC2)c1,PWDMKPRDFWKQPS-UHFFFAOYSA-N
-rxn:4:215907:224376,CN1CCN(S(=O)(=O)c2cccc(-c3ccc(S(=O)(=O)N4CCN(C)CC4)nc3)c2)CC1,DNUBRRQWIJWFIE-UHFFFAOYSA-N
-rxn:4:218653:222432,COc1ccc(N2CC(C(=O)N3CC(Cn4cc(-c5ccc(S(=O)(=O)NC6CCCCC6)c6ccccc56)cn4)C3)CC2=O)cc1,OPUDZXPBKGYLQL-UHFFFAOYSA-N
-rxn:4:218707:227318,Cc1ccc(S(=O)(=O)N2CCN(C(=O)CC(C)n3nc(C)c(-c4cnc(CC(C)C)c(Cl)c4)c3C)CC2)cc1,DIOLNDKUDQYYKO-UHFFFAOYSA-N
-rxn:4:218710:228996,CCc1cc(-c2ccc(C3=NN(C(=O)CN4CCN(CC)C(=O)C4=O)C(c4ccc(C)cc4)C3)cc2)ccn1,ZFBQSYHBFDGGHF-UHFFFAOYSA-N
-rxn:4:218711:227234,CCOc1cccc(-c2cc([N+](=O)[O-])ccc2N2CCC(N3CCN(C(=O)OC(C)(C)C)CC3)CC2)c1C#N,CXOZPIBTAWJHGP-UHFFFAOYSA-N
-rxn:4:218714:223482,Cc1cc(C)c(S(=O)(=O)N2CCN(C(=O)CCn3nc(C)c(-c4ccc(OC(F)(F)F)c(S(=O)(=O)N5CCC6(CC5)OCCO6)c4)c3C)CC2)c(C)c1,WGCLRLWDIQOZET-UHFFFAOYSA-N
-rxn:4:218832:223787,CN1CCN(CCCOc2ccc(-c3cnc(OCC4CCCN(C(=O)c5cscn5)C4)nc3)cc2F)CC1,FXGUDCFFDOVXKX-UHFFFAOYSA-N
-rxn:4:218846:227014,CC(C)CSc1cccc(-c2cnc(OC3CCN(C(=O)CN4C(=O)CCC4=O)C3)nc2)c1,JGFPPXRGLJLZNN-UHFFFAOYSA-N
-rxn:4:218846:228311,CCCc1ncc(-c2cnc(OC3CCN(C(=O)CN4C(=O)CCC4=O)C3)nc2)c(Cl)n1,KQQWHGVXZPPJLQ-UHFFFAOYSA-N
-rxn:4:218856:222706,N#Cc1ccc(OC2CCN(C(=O)c3cncc(-c4cc(C5CCNCC5)ccc4C(F)(F)F)c3)CC2)nc1,RADHRAFMURMJLG-UHFFFAOYSA-N
-rxn:4:218899:225296,N#Cc1ccc(S(=O)(=O)N2CCC(Oc3ncc(-c4ccc(S(=O)(=O)N5CCCC5)cc4)cn3)CC2)cc1,DAPIJMOKJRYVPK-UHFFFAOYSA-N
-rxn:4:218919:224667,Cc1cc(=O)n(CC(=O)N2CCC(Oc3ccncc3-c3ccc(Cl)c(CN4CCN(C)CC4)c3)C2)cn1,FTXRAQREWSLDEM-UHFFFAOYSA-N
-rxn:4:218983:226253,CCCOc1cc(OC)cc(-c2ccc(OC)cc2C(=O)N2CCN(c3ccc(C(F)(F)F)nn3)CC2)c1,VXDQKPCXAJCBHU-UHFFFAOYSA-N
-rxn:4:219013:224221,CC1CN(c2c(-c3c(OCc4ccccc4)ccc(F)c3F)cncc2[N+](=O)[O-])CCN1C(=O)OC(C)(C)C,NDFVFQMWOLQZAY-UHFFFAOYSA-N
-rxn:4:219026:224788,CCCCOc1ncc(C(F)(F)F)cc1-c1cnn(C)c1C(=O)N1CCN(C(=O)OC(C)(C)C)C(C)C1,AUYOZPSMPAUDOT-UHFFFAOYSA-N
-rxn:4:219026:227596,CC1CN(C(=O)c2c(-c3cnc(N4CCCC4)nc3)cnn2C)CCN1C(=O)OC(C)(C)C,GRFYHTYXJZRBPK-UHFFFAOYSA-N
-rxn:4:219027:224061,CCCC1CCC(c2ccc(-c3cnn(C)c3C(=O)N3CCN(C(=O)OC(C)(C)C)CC3C)c(F)c2)CC1,IAWFXVHRENQCHN-UHFFFAOYSA-N
-rxn:4:219049:223929,COc1ccc(-c2cc(N3CCN(C(=O)c4ccc(-c5cnc6c(c5)CCN(C(=O)OC(C)(C)C)C6)o4)CC3)ncn2)cc1,ILKKUVPVPSHQGS-UHFFFAOYSA-N
-rxn:4:219053:224252,CC1CCCN(C(=O)c2ccc(-c3cncc(-c4cnn(C5CCN(C(=O)OC(C)(C)C)CC5)c4)c3)cc2F)C1,KZGNQSCRIRKGSR-UHFFFAOYSA-N
-rxn:4:219076:223812,COc1ccc(Cl)cc1C(=O)N1CCCN(c2cc(-c3ccc(-c4cc(F)cc(CN5CCC6(CC5)OCCO6)c4)cc3)n[nH]2)CC1,HZQORUOKPYNHDS-UHFFFAOYSA-N
-rxn:4:219155:225883,Cc1cnc(OCC23CCCC2CN(C(=O)c2cncc(-c4cnc(C5CCOCC5)c(Cl)c4)c2)C3)nc1,SLSVKASMDKMPAF-UHFFFAOYSA-N
-rxn:4:219182:225977,COc1ccc(-c2cc(Cl)cnc2N2CCOCC2)c(C(=O)N2CCN(C(=O)c3cc4n(n3)CCCC4)CC2)c1,KPYFRGROIGXLDT-UHFFFAOYSA-N
-rxn:4:219405:222916,CC(C)(C)OC(=O)N1CCN(c2ccnc(-c3cccc(C(=O)NC4=NCCS4)c3)n2)CC1,LGUPKTWXXNNOCB-UHFFFAOYSA-N
-rxn:4:219418:223992,COc1cc(N2CCN(C(=O)c3cncc(-c4ccc(C)c(S(=O)(=O)N5CCN(C)CC5)c4)c3)CC2=O)ccn1,IBMSRECOZNJFIM-UHFFFAOYSA-N
-rxn:4:219431:224593,CC1CCN(Cc2cc(-c3ccccc3S(=O)(=O)N3CCC(n4cc(C5CC5)nn4)C3)ccc2F)CC1,HLRGINAGWIBGTQ-UHFFFAOYSA-N
-rxn:4:219434:222694,Cc1cnc(OC2CCN(C(=O)c3cncc(-c4cccc(S(=O)(=O)NC5CCCCC5)c4)c3)CC2)nc1,IXUYVIKUFPHPAQ-UHFFFAOYSA-N
-rxn:4:219469:222546,CSc1ncc(-c2ccc(OCCNC3CCCCC3)c(F)c2)c(N2CCCN(S(=O)(=O)C3CC3)CC2)n1,WUEYBVDZPPPCLO-UHFFFAOYSA-N
-rxn:4:219469:226473,CSc1ncc(-c2cccnc2OCCN(C)C)c(N2CCCN(S(=O)(=O)C3CC3)CC2)n1,RNPZDRJFUMZSOG-UHFFFAOYSA-N
-rxn:4:219471:226474,CSc1ncc(-c2cncc(OCCN(C)C)c2)c(N2CCOC(C(=O)N3CCCC3)C2)n1,WUHJVPOWKOTTAA-UHFFFAOYSA-N
-rxn:4:219473:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2cnc(N3CCOC(C(=O)N4CCCC4)C3)nc2OC)CC1,WXOKFZLIOMIXRJ-UHFFFAOYSA-N
-rxn:4:219485:223482,COc1ccc(-n2nnc(-c3nc(-c4ccc(-c5ccc(OC(F)(F)F)c(S(=O)(=O)N6CCC7(CC6)OCCO7)c5)cc4)cs3)c2C)cc1,MNDCWOVWRKXBPR-UHFFFAOYSA-N
-rxn:4:219498:223787,COc1nc(N2CCOC(C(=O)N3CCOCC3)C2)ncc1-c1ccc(OCCCN2CCN(C)CC2)c(F)c1,KNSPBGIKVFRVMT-UHFFFAOYSA-N
-rxn:4:219500:226303,CCCC(=O)c1ccc(Cl)c(-c2cnc(N3CCCC(C(=O)N4CCSCC4)C3)c(C#N)c2)c1,CQDYKHUJIMBDDP-UHFFFAOYSA-N
-rxn:4:219501:227292,CSc1ncc(-c2ccc(F)c(CN(C)C)c2)c(N2CCOC(C(=O)N3CCOCC3)C2)n1,ATDJKYTWJBFTLT-UHFFFAOYSA-N
-rxn:4:219534:222634,O=C(c1cncc(-c2ccc(OCCNC3CCCC3)c(F)c2)c1)N1CCC(n2nc(C3CC3)ccc2=O)CC1,HOQVCXWESXRLAZ-UHFFFAOYSA-N
-rxn:4:219537:224501,CN1CCCCC1COc1ccc(-c2ccccc2S(=O)(=O)N2CCN(c3ccc(C4CC4)nn3)CC2)cc1,OCARJIRPBGRDLH-UHFFFAOYSA-N
-rxn:4:219655:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(CC(=O)N2C3CCC2CC(n2cncn2)C3)cc1,PYUNXNBVDFIYTB-UHFFFAOYSA-N
-rxn:4:219666:223951,CN1CCN(CCOc2ccc(-c3cccc(C(=O)N4CCN(S(=O)(=O)c5cccc6nonc56)CC4)c3)cc2F)CC1,MRFVZNKXOHTRFG-UHFFFAOYSA-N
-rxn:4:219750:222581,COc1ccc(-c2ccc(S(=O)(=O)NC(C)C)c3ccccc23)c(C(=O)N2CCCc3cnc(N4CCOCC4)nc32)c1,IUYKFHGSZVBHKK-UHFFFAOYSA-N
-rxn:4:219856:223592,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc(C(=O)N4CCC(n5ccnn5)CC4)o3)c(Cl)c2)CC1,SXNVVXLRSZEIBJ-UHFFFAOYSA-N
-rxn:4:219859:223591,CC(C)(C)OC(=O)N1CCN(c2ccc(F)c(-c3ccc(C(=O)N4CCC(n5nccn5)CC4)o3)c2)CC1,OIRGBAZOVNSXQW-UHFFFAOYSA-N
-rxn:4:219880:223832,COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1-c1cnc(SC)nc1N1CCN(S(C)(=O)=O)CC1,WHJHRSCIRBXWHJ-UHFFFAOYSA-N
-rxn:4:219904:223054,CC(c1ccc(-c2cnc(C3CCN(S(=O)(=O)N(C)C)CC3)cn2)s1)N1CCC(O)C1,OJHODIQOVLFOIX-UHFFFAOYSA-N
-rxn:4:219910:223594,Cn1ccnc(N2CCC(Oc3ccncc3-c3cc(Cl)cc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)C2)c1=O,UNVAKHZWIANFFC-UHFFFAOYSA-N
-rxn:4:219931:225519,CCOC(=O)CCc1ccc(-c2cnc(N3CCCN(S(=O)(=O)C4CC4)CC3)nc2)cc1,USJOOCJWDMDBMA-UHFFFAOYSA-N
-rxn:4:219955:222894,CCCCS(=O)(=O)Nc1cccc(-c2cnc(N3CCOC(C(=O)N4CCSCC4)C3)nc2)c1,CFULOFKFUKEWER-UHFFFAOYSA-N
-rxn:4:219959:223084,O=C(C1CN(c2ncc(-c3cnc(N4CCC(O)CC4)nc3)cn2)CCO1)N1CCOCC1,BXBFVHBFPYAULE-UHFFFAOYSA-N
-rxn:4:219991:224085,CN1C(=O)CN(C2CCN(C(=O)c3cncc(-c4cccc(OCc5ccccc5C#N)c4)c3)CC2)C1=O,CVEWOTVCNREUSK-UHFFFAOYSA-N
-rxn:4:220531:223636,CC(C)(C)OC(=O)N1CCCC(c2ccc(-c3cnc(N4CCC(c5noc6cc(F)ccc56)CC4)nc3)cc2)C1,WWRJWTAOUFZVKO-UHFFFAOYSA-N
-rxn:4:221129:226502,CCOC(=O)C1CCN(c2nc3c(S(=O)(=O)c4ccc(-c5ccn(C(=O)OC(C)(C)C)c5)cc4)nnn3c3ccccc23)CC1,NPAHLFBVFOIYHH-UHFFFAOYSA-N
-rxn:4:221150:223992,Cc1ccc(-c2cnc(OCC3CCCN(c4cccc(C#N)n4)C3)nc2)cc1S(=O)(=O)N1CCN(C)CC1,LQRXAPJFNAWVON-UHFFFAOYSA-N
-rxn:4:221172:223812,Cn1nc(C(=O)N2CCC(COc3ncc(-c4cc(F)cc(CN5CCC6(CC5)OCCO6)c4)cn3)CC2)ccc1=O,WPXGNDJZHLFFBV-UHFFFAOYSA-N
-rxn:4:221175:227215,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4ccc(OCCOC)cc4)cn3)C2)C(=O)C1=O,RQEKDMIYXHNWTR-UHFFFAOYSA-N
-rxn:4:221176:223592,Cc1nc(N2CCCC(COc3ncc(-c4ccc(N5CCN(C(=O)OC(C)(C)C)CC5)cc4Cl)cn3)C2)cc(C(F)(F)F)n1,TUXFFZGYGHHRNS-UHFFFAOYSA-N
-rxn:4:221180:224772,Cc1cc(C(=O)N2CCC(COc3ncc(-c4ccc(C(=O)N5CCOCC5)cc4Cl)cn3)CC2)nn1C,JTAYEDIRQOAHIX-UHFFFAOYSA-N
-rxn:4:221190:223493,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccc(C(=O)N2CCN(c3ccc(-c4noc(C5CC5)n4)cn3)CC2)o1,FBDACHZXLOLFNU-UHFFFAOYSA-N
-rxn:4:221202:226554,CCCOc1cc(F)c(-c2ccccc2C(=O)N2CCN(Cc3nncn3C3CCCCC3)CC2)cc1F,NWCWJLUQSLFXCS-UHFFFAOYSA-N
-rxn:4:221287:223659,CC(C)(C)OC(=O)N1CCC(Cn2cc(-c3cnc(N4CC(Cn5cc(Cl)cn5)C4)c(C#N)c3)cn2)CC1,HJWWUBDPUIHYPK-UHFFFAOYSA-N
-rxn:4:221322:223844,CN(C(=O)c1cncc(-c2ccc(S(=O)(=O)N3CCCC3)cc2C(F)(F)F)c1)C1CN(c2cnccn2)C1,QEUXVIULOKQYGC-UHFFFAOYSA-N
-rxn:4:221352:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cnc(OC4CCN(c5nc(C6CC6)ns5)CC4)nc3)c2Cl)CC1,KAXJNSQTTMYMAS-UHFFFAOYSA-N
-rxn:4:221395:224620,CC(C)(C)[Si](C)(C)OCc1ccc(-c2cnc(N3CCC(Cn4cnc(C5CC5)cc4=O)CC3)nc2)cn1,VYMSKANIVLTPGE-UHFFFAOYSA-N
-rxn:4:221399:224406,CN(C)c1ccc(N2CCN(Cc3ccccc3-c3ccc(F)c(S(=O)(=O)N4CCOCC4)c3)CC2)nn1,PPQMOYZHIABOFK-UHFFFAOYSA-N
-rxn:4:221404:224089,CC1CCN(CCOc2ccc(-c3cccc(CN4CCN(c5ccnc(N(C)C)n5)CC4)c3)cc2)CC1,KEXAEPYCFMRWFS-UHFFFAOYSA-N
-rxn:4:221413:222751,Cc1ccc(-c2ccc(C(=O)N3CCN(c4cc(N5CCOCC5)ncn4)CC3)o2)cc1NC(=O)OC(C)(C)C,QYXHZJXRMSISBA-UHFFFAOYSA-N
-rxn:4:221423:222926,Cc1nc(N2CCCC(O)C2)ncc1-c1ccccc1CN1CCN(c2ccc(N3CCOCC3)nn2)CC1,KLMQBTXEDXNEQS-UHFFFAOYSA-N
-rxn:4:221427:222988,Cc1cc(-c2ccccc2CN2CCN(c3cc(N4CCOCC4)ncn3)CC2)cc(C2CCNCC2)n1,BPXDRHUKKOWJEF-UHFFFAOYSA-N
-rxn:4:221437:225115,CCOc1c(Cl)cc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCCCCC5)nn4)CC3)o2)cc1OC(C)C,VANCTVAUHFJVGE-UHFFFAOYSA-N
-rxn:4:221437:226530,CCOC(=O)c1cccc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCCCCC5)nn4)CC3)o2)c1F,IYVYSWNNJDXSKU-UHFFFAOYSA-N
-rxn:4:221446:226382,Cc1cc(N2CCOCC2)nc(N2CCN(Cc3ccc(-c4cnc(C5CCCCC5)nc4)cc3)CC2)n1,SMCBYFVKYHPESM-UHFFFAOYSA-N
-rxn:4:221447:223699,Cc1cc(N2CCN(Cc3ccc(-c4ccc(S(=O)(=O)N5CCOCC5)cc4C(F)(F)F)cc3)CC2)nc(N2CCOCC2)n1,LTUWFPYOCCNDLH-UHFFFAOYSA-N
-rxn:4:221452:226984,CCCOCc1ccc(-c2cccc(C(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)c2)cc1,WIRCLWPGSYKXOK-UHFFFAOYSA-N
-rxn:4:221454:225893,COCCOc1c(Cl)ccc(-c2ccccc2C(=O)N2CCN(c3ccc(N4CCCCCC4)nn3)CC2)c1F,FCFNHUNSHIZGQT-UHFFFAOYSA-N
-rxn:4:221498:223886,CC(C)(C)OC(=O)N1CCN(c2ncnc3[nH]cc(-c4cccc5c4CCN(C(=O)OC(C)(C)C)C5)c23)CC1,SRJKTWWNTAAZKU-UHFFFAOYSA-N
-rxn:4:221521:222633,Cc1nc2c(c(N3CCCC(COc4ncc(-c5ccc(C(=O)NCCN6CCCC6)cc5)cn4)C3)n1)CCC2,FBHQJIIJBLDYHC-UHFFFAOYSA-N
-rxn:4:221521:222730,CCCc1cc(-c2cnc(OCC3CCCN(c4nc(C)nc5c4CCC5)C3)nc2)cc(C2CCNCC2)n1,LNNCGCJXGFUYAZ-UHFFFAOYSA-N
-rxn:4:221544:223777,COCCn1c(=O)c2c(nc3n(-c4ccc(-c5ccc6c(c5F)CCN(C(=O)OC(C)(C)C)C6)cc4)c(C)cn23)n(C)c1=O,BAGKSQZFIQMMLS-UHFFFAOYSA-N
-rxn:4:221608:223497,CC(c1ccc(-c2cncc(C(=O)N3CCC(n4ccnn4)CC3)c2)cc1)N1CCC(O[Si](C)(C)C(C)(C)C)CC1,KKYIVNVMSFKMEN-UHFFFAOYSA-N
-rxn:4:221621:223958,CCN1CCN(C(=O)c2ccc(-c3cc(C(F)(F)F)cnc3N3CCN(c4ccncn4)CC3)cc2F)CC1,UEMYIMRNNNKZSU-UHFFFAOYSA-N
-rxn:4:221641:223497,CC(c1ccc(-c2cnc(N3CCC(n4nc(C5CC5)ccc4=O)CC3)nc2)cc1)N1CCC(O[Si](C)(C)C(C)(C)C)CC1,BPOGBCKOFDVVSI-UHFFFAOYSA-N
-rxn:4:221641:224120,Cc1cc(-c2cnc(N3CCC(n4nc(C5CC5)ccc4=O)CC3)nc2)ccc1CO[Si](C)(C)C(C)(C)C,SVRBJHGXWLTPPZ-UHFFFAOYSA-N
-rxn:4:221746:223670,Cn1c(=O)n(Cc2ccc(-c3cccnc3N3CCN(C(=O)OC(C)(C)C)CC3)cc2)c(=O)c2c1nc1n2CCN1c1ccccc1,OESLCJPCGUJVQM-UHFFFAOYSA-N
-rxn:4:221836:223669,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(N4CCCN(C5=NS(=O)(=O)c6ccccc65)CC4)nc3)cn2)CC1,IRPBIKZMJHDVOR-UHFFFAOYSA-N
-rxn:4:221836:223892,CN1CCN(CCCOc2ccc(-c3cnc(N4CCCN(C5=NS(=O)(=O)c6ccccc65)CC4)nc3)cc2)CC1,FFGFPPZABIUZOF-UHFFFAOYSA-N
-rxn:4:221920:223239,CCOc1ccc(-c2cncc(C3CCCN3)c2)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N3CCN(C)CC3)n2)CC1,ZSLIKSCJSBCGOY-UHFFFAOYSA-N
-rxn:4:221965:223118,CCCC(=O)Nc1cccc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCN(CC)CC5)nn4)CC3)cc2)c1,CQGISTORMHSRTP-UHFFFAOYSA-N
-rxn:4:221977:224423,CCC[C@H]1CC[C@H](c2ccc(-c3cnc(OCC4CCCN(c5nccn6nc(C7CC7)cc56)C4)nc3)cc2)CC1,XAXPPSKPWJQQJZ-PECFQXNXSA-N
-rxn:4:221979:225231,CCc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cnc(Cl)c(N7CCCCC7C)c6)cc5)no4)C3C2=O)cc1,CVHUVLUHZWZYJM-UHFFFAOYSA-N
-rxn:4:221985:225975,Cn1cc(-c2nc3cnc(-c4ccnc(N5CCOCC5)c4Cl)cc3n2[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cn1,GYGMMSHUDNEFFI-HXUWFJFHSA-N
-rxn:4:222021:224087,Cc1ncnc(N(C)CC2CCN(c3ncc(-c4cccc(OCCN5CCCCCC5)c4)cn3)CC2)c1F,CDRMMTUEQROFTN-UHFFFAOYSA-N
-rxn:4:222044:224011,Cc1ccn(-c2ccc(N3CCN(S(=O)(=O)c4ccc(-c5ccc(S(=O)(=O)N6CCN(C)CC6)c(F)c5)cc4)CC3)nn2)n1,DZKMQOWBGHEPRM-UHFFFAOYSA-N
-rxn:4:222062:222869,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(F)c(C(=O)NCC(C)C)c4)cc3)CC2)n1,IGKAFKMDLFZALM-UHFFFAOYSA-N
-rxn:4:222108:225884,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C7COCCO7)c(F)c6)cc5)no4)C3C2=O)cc1F,XFEISBSBEAYYOR-UHFFFAOYSA-N
-rxn:4:222112:222628,Cc1nc2ccc(OCC3CCN(c4ncc(-c5cc(C6CCC6)nc(C6CCCNC6)c5)cn4)CC3)nn2c1C,VOCXZQRCJIQJCK-UHFFFAOYSA-N
-rxn:4:222113:223926,CC1CN(C(=O)Cn2cnc3c(nnn3-c3ccc(-c4ccc(CN5CCC6(CC5)OCCO6)cc4)cc3)c2=O)CC(C)O1,HGVUGLYYDRBAEO-UHFFFAOYSA-N
-rxn:4:222126:222798,Cc1cc(S(=O)(=O)NC(C)(C)C)ccc1-c1ccc(Cn2c(CN3CCN(C)CC3)nc3c2c(=O)n(C)c(=O)n3C)cc1,QUJOYZZHPAGRLM-UHFFFAOYSA-N
-rxn:4:222192:224168,CCN(C(=O)OC(C)(C)C)c1cccc(-c2cnc(N3CCN(c4nc(C5CC5)nc5c4CCC5)CC3)nc2)c1,YLWGIJLELWJHER-UHFFFAOYSA-N
-rxn:4:222328:223834,Cc1cc(N2CCN(c3ncc(-c4cc(C)c(S(=O)(=O)N5CCN(C)CC5)c(C)c4)cn3)CC2)nc(N(C)C)n1,YWUSTZLBYRNLRX-UHFFFAOYSA-N
-rxn:4:222329:223542,CN1CCN(S(=O)(=O)c2cc(-c3cnc(N4CCN(c5nccc(N6CCCC6)n5)CC4)nc3)ccc2OC(F)(F)F)CC1,GEEZSUOJNFIMIU-UHFFFAOYSA-N
-rxn:4:222355:223689,CCN1CCN(S(=O)(=O)c2cc(-c3cnc(N4CCN(c5ccc6nc(C)cn6n5)CC4)nc3)ccc2OC)CC1,CRLVPHDHYKFXJN-UHFFFAOYSA-N
-rxn:4:222380:223893,CCN1CCN(CCOc2cccc(-c3cnc(N4CC5CN(c6ncnc7c6ncn7CC)CC5C4)nc3)c2)CC1,HTPAGBZQOFGHCW-UHFFFAOYSA-N
-rxn:4:222630:218588,N#Cc1ccccc1S(=O)(=O)N1CCC(COc2ncc(-c3cc(C4CCC4)nc(C4CCNCC4)c3)cn2)CC1,GYBSVWDIFIGTPY-UHFFFAOYSA-N
-rxn:4:222741:174644,COc1ccc(C=C2Oc3cc(OS(=O)(=O)c4ccc(-c5cc(C6CC6)nc(C6CCCNC6)c5)cc4)ccc3C2=O)cc1,MOLPGIGIIJEXMJ-UHFFFAOYSA-N
-rxn:4:222741:219000,O=c1cccnn1CCN1CCN(S(=O)(=O)c2ccc(-c3cc(C4CC4)nc(C4CCCNC4)c3)cc2)CC1,JKJVXYJZHYCPIR-UHFFFAOYSA-N
-rxn:4:222860:219959,CCCCNC(=O)c1ccc(F)c(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)nc2)c1,DNMMOACSDVTAEB-UHFFFAOYSA-N
-rxn:4:222881:184093,CC(C)c1ccc(CN(C(=O)c2ccc(-c3ccc(C(=O)NC(C)(C)C)cc3F)cc2)C2CCS(=O)(=O)C2)cc1,IJXSZDFIPQUTCI-UHFFFAOYSA-N
-rxn:4:222910:174436,CCCNS(=O)(=O)c1ccc(-c2cc(CC3(C(=O)OC(C)(C)C)CC3)ccc2Cl)c(C)c1,UFFSVVZZUBGIHC-UHFFFAOYSA-N
-rxn:4:222910:185027,CCCNS(=O)(=O)c1ccc(-c2cccc(SC3CN(C(=O)OC(C)(C)C)C3)c2)c(C)c1,NTFOJYRVDRYOJZ-UHFFFAOYSA-N
-rxn:4:222940:184884,CC(C)(C)NS(=O)(=O)c1cncc(-c2cc(OC(F)(F)F)ccc2/C=N/S(=O)C(C)(C)C)c1,SGKLFSGUMDHPEZ-RPPGKUMJSA-N
-rxn:4:222971:184093,CC(C)c1ccc(CN(C(=O)c2ccc(-c3ccc(NC(=O)C(C)(C)C)cc3)cc2)C2CCS(=O)(=O)C2)cc1,CJKIYSFKITZVEC-UHFFFAOYSA-N
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-rxn:5:178467:228877:226662,CCOC(=O)C1=Cc2cc(-c3ccc(N4CCN(C)CC4)s3)cc(-c3ccnn3C3CC3F)c2OC1,NBYVWIJWZRYAQY-UHFFFAOYSA-N
-rxn:5:178556:223002:226331,N#CC1(c2ccc(-c3ccc(-c4ccc(C5CCNCC5)cc4F)c(COc4ccc5c(c4)C(=O)CCC5)c3)c(F)c2)CC1,ULMNIXHNEQIAPL-UHFFFAOYSA-N
-rxn:5:179629:225798:226583,COc1ccc(-c2ccc(OC3CCOCC3)nc2)c(S(C)(=O)=O)c1-c1ccc(CN2CCOCC2)s1,WCFBXYSMXXIHPL-UHFFFAOYSA-N
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-rxn:5:181907:225472:226686,Cc1cc(-c2cccc(N3CCCCC3C)c2)c(-c2c(C)cnn2C2CCCCO2)c(C2OCCO2)c1,FSCYIHLFHYCHLT-UHFFFAOYSA-N
-rxn:5:181907:225607:223139,Cc1cc(-c2ccc(C(C)N3CCCCC3)s2)c(-c2ccc(C3CCNCC3)nc2)c(C2OCCO2)c1,UNGOVLNEUDGLAT-UHFFFAOYSA-N
-rxn:5:181907:225633:225607,Cc1cc(-c2ccc(N3CCCCCC3)nc2)c(-c2ccc(C(C)N3CCCCC3)s2)c(C2OCCO2)c1,VYYBHGIWRJBNIQ-UHFFFAOYSA-N
-rxn:5:181907:225639:225436,Cc1cc(-c2cccnc2N2CCC(C)CC2)c(-c2ccc(CN3CCCCC3)cc2)c(C2OCCO2)c1,NXFKWHAWRGGJMB-UHFFFAOYSA-N
-rxn:5:181907:226374:225805,Cc1cc(-c2cncnc2C2CCCCC2)c(-c2ccc(C(C)N3CCOCC3)s2)c(C2OCCO2)c1,GQERJOCLOCYBBF-UHFFFAOYSA-N
-rxn:5:181908:223056:226686,Cc1cc(-c2ccc(N3CCC(O)CC3)nc2)c(-c2c(C)cnn2C2CCCCO2)cc1C1OCCO1,BVGYPNRICKGOAM-UHFFFAOYSA-N
-rxn:5:181908:225407:225607,Cc1cc(-c2ccc(C3CCCCCC3)cc2)c(-c2ccc(C(C)N3CCCCC3)s2)cc1C1OCCO1,JTJGYKVFTWAUJX-UHFFFAOYSA-N
-rxn:5:181908:225470:222958,Cc1ccc(-c2cc(C3OCCO3)c(C)cc2-c2ccc(N3CCC(C)CC3)cc2)cc1C1CCNCC1,MQEZMXDRHVYNGM-UHFFFAOYSA-N
-rxn:5:181908:225633:225470,Cc1cc(-c2ccc(N3CCCCCC3)nc2)c(-c2ccc(N3CCC(C)CC3)cc2)cc1C1OCCO1,PIHJZNSQBSRPCI-UHFFFAOYSA-N
-rxn:5:181908:225641:225470,Cc1cc(-c2ccnc(N3CCCC(C)C3)c2)c(-c2ccc(N3CCC(C)CC3)cc2)cc1C1OCCO1,CPYSRMYQIPMSQC-UHFFFAOYSA-N
-rxn:5:181908:225652:225639,Cc1cc(-c2cncc(N3CCCC(C)C3)c2)c(-c2cccnc2N2CCC(C)CC2)cc1C1OCCO1,PSPODCXULAYIBP-UHFFFAOYSA-N
-rxn:5:181908:225656:226330,Cc1cc(-c2cncc(N3CCCCC3C)c2)c(-c2ccc(C(C)N3CCCC3)s2)cc1C1OCCO1,WGYHEHQRSQRMAV-UHFFFAOYSA-N
-rxn:5:181908:226069:225607,Cc1cc(-c2cccc(C3CCCCC3)c2)c(-c2ccc(C(C)N3CCCCC3)s2)cc1C1OCCO1,AAUHSYYKAMABPQ-UHFFFAOYSA-N
-rxn:5:182010:222981:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(C2CCOCC2)c(-c2ccnc(NC3CCCCC3)c2)c1,CYFGNMRLMFTNDG-UHFFFAOYSA-N
-rxn:5:182012:223133:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2ccccc2N2CCNCC2)cc1C1CCCOC1,ZFMQYCJOXBVJHP-UHFFFAOYSA-N
-rxn:5:182012:223135:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2cccnc2C2CCCNC2)cc1C1CCCOC1,LJNXUMZVSPIESI-UHFFFAOYSA-N
-rxn:5:182012:226686:225464,Cc1cnn(C2CCCCO2)c1-c1ccc(-c2cccc(N3CCCC(C)C3)c2)c(C2CCCOC2)c1,FLVLJBNMKBHVMI-UHFFFAOYSA-N
-rxn:5:183228:225584:225451,CC1(C)CCc2cc(-c3ccc(C(=O)N4CCCC4)cc3)cc(-c3ccc(SC4CCCCC4)cc3)c2O1,IYPTXJCDJQGQFF-UHFFFAOYSA-N
-rxn:5:188867:223062:226662,CC(C)OC(=O)c1cc(-c2ccc(N3CCN(C)CC3)s2)ncc1-c1cnc(C2CCNCC2)cc1F,KRZVTHHHIGSBMF-UHFFFAOYSA-N
-rxn:5:188867:223063:226661,CC(C)OC(=O)c1cc(-c2cc(N3CCN(C)CC3)cs2)ncc1-c1cc(F)nc(C2CCNCC2)c1,PVYXWPLSYJGWJZ-UHFFFAOYSA-N
-rxn:5:188867:226583:223002,CC(C)OC(=O)c1cc(-c2ccc(C3CCNCC3)cc2F)ncc1-c1ccc(CN2CCOCC2)s1,PLBRRFYNWODIHL-UHFFFAOYSA-N
-rxn:5:188867:226662:223061,CC(C)OC(=O)c1cc(-c2cc(C3CCNCC3)ncc2F)ncc1-c1ccc(N2CCN(C)CC2)s1,YJRPHHHALQTBGI-UHFFFAOYSA-N
-rxn:5:188867:226662:223062,CC(C)OC(=O)c1cc(-c2cnc(C3CCNCC3)cc2F)ncc1-c1ccc(N2CCN(C)CC2)s1,FYLHGCNTGAWXNL-UHFFFAOYSA-N
-rxn:5:188867:226662:223063,CC(C)OC(=O)c1cc(-c2cc(F)nc(C3CCNCC3)c2)ncc1-c1ccc(N2CCN(C)CC2)s1,LDKOURKHTPLLBH-UHFFFAOYSA-N
-rxn:5:188867:226662:223064,CC(C)OC(=O)c1cc(-c2ccc(C3CCNCC3)nc2F)ncc1-c1ccc(N2CCN(C)CC2)s1,XNEXOFYLCFCMHR-UHFFFAOYSA-N
-rxn:5:188930:223135:225639,COC(=O)c1cc(S(N)(=O)=O)c(-c2cccnc2C2CCCNC2)cc1-c1cccnc1N1CCC(C)CC1,MJKGNUGFHKYAAB-UHFFFAOYSA-N
-rxn:5:188930:225808:227560,COC(=O)c1cc(S(N)(=O)=O)c(-c2cc(OC3CCCC3)ncc2F)cc1-c1ccc(OC)c(C(F)F)c1,GOXPHAHCLSTBND-UHFFFAOYSA-N
-rxn:5:189001:223062:225874,COC(=O)C1(c2nc(-c3ccc(F)c(N4CCOCC4)c3)ccc2-c2cnc(C3CCNCC3)cc2F)CC1,YFUTUAGSWVGEHS-UHFFFAOYSA-N
-rxn:5:189001:223065:226679,COC(=O)C1(c2nc(-c3cnc(N4CCCC4)cc3F)ccc2-c2ccc(N3CCNCC3)cc2F)CC1,QKCDJVIBPVDLMW-UHFFFAOYSA-N
-rxn:5:189001:223131:223065,COC(=O)C1(c2nc(-c3ccc(N4CCNCC4)cc3F)ccc2-c2ccc(N3CCNCC3)cc2)CC1,LNGXOMDWEIHGCX-UHFFFAOYSA-N
-rxn:5:189001:223131:225601,COC(=O)C1(c2nc(-c3ccc(C4(C#N)CCC4)cc3F)ccc2-c2ccc(N3CCNCC3)cc2)CC1,SZHLIRJEWURRNV-UHFFFAOYSA-N
-rxn:5:189001:223294:225879,COC(=O)C1(c2nc(-c3ccc(N4CCOCC4)cc3F)ccc2-c2csc(N3CCNCC3)n2)CC1,XQBFRUPKNYJHSV-UHFFFAOYSA-N
-rxn:5:189001:225589:223061,COC(=O)C1(c2nc(-c3cc(C4CCNCC4)ncc3F)ccc2-c2ccc(CN3CCSCC3)cc2)CC1,ABPDHAUWKOWSRL-UHFFFAOYSA-N
-rxn:5:189001:225870:225980,COC(=O)C1(c2nc(-c3cc(N4CCOCC4)ncc3F)ccc2-c2cc(F)cc(N3CCOCC3)c2)CC1,SQETXTMGMSUOEY-UHFFFAOYSA-N
-rxn:5:189001:225874:223061,COC(=O)C1(c2nc(-c3cc(C4CCNCC4)ncc3F)ccc2-c2ccc(F)c(N3CCOCC3)c2)CC1,VYGUUCUSRHZXOL-UHFFFAOYSA-N
-rxn:5:189001:225879:223061,COC(=O)C1(c2nc(-c3cc(C4CCNCC4)ncc3F)ccc2-c2ccc(N3CCOCC3)cc2F)CC1,SINFMNMYEARGFQ-UHFFFAOYSA-N
-rxn:5:189001:225879:223065,COC(=O)C1(c2nc(-c3ccc(N4CCNCC4)cc3F)ccc2-c2ccc(N3CCOCC3)cc2F)CC1,COSBOJZYWXZQCB-UHFFFAOYSA-N
-rxn:5:189001:225978:223065,COC(=O)C1(c2nc(-c3ccc(N4CCNCC4)cc3F)ccc2-c2ccc(N3CCOCC3)nc2F)CC1,YJUXSUQKZZYKOT-UHFFFAOYSA-N
-rxn:5:189001:226583:225980,COC(=O)C1(c2nc(-c3cc(N4CCOCC4)ncc3F)ccc2-c2ccc(CN3CCOCC3)s2)CC1,YTCLWTVQYWEONE-UHFFFAOYSA-N
-rxn:5:189001:226583:225982,COC(=O)C1(c2nc(-c3cnc(N4CCOCC4)cc3F)ccc2-c2ccc(CN3CCOCC3)s2)CC1,WZKLORZMMNJOPV-UHFFFAOYSA-N
-rxn:5:189001:226662:223065,COC(=O)C1(c2nc(-c3ccc(N4CCNCC4)cc3F)ccc2-c2ccc(N3CCN(C)CC3)s2)CC1,QWYAUQXJSQJERG-UHFFFAOYSA-N
-rxn:5:189078:226330:223058,CCN(C)C(=O)c1cc(-c2ccc(C(C)N3CCCC3)s2)ccc1-c1cc(F)nc(C2CCCNC2)c1,WWYPGQMJHIIDJV-UHFFFAOYSA-N
-rxn:5:189079:226662:223063,CCN(C)C(=O)c1ccc(-c2cc(F)nc(C3CCNCC3)c2)c(-c2ccc(N3CCN(C)CC3)s2)c1,CVCAJWPPTWQKPP-UHFFFAOYSA-N
-rxn:5:189207:225655:225797,CC1CCN(c2cncc(-c3ccc(-c4ccc(C(C)(C)C)c([N+](=O)[O-])c4)c(C(=O)ON4C(=O)CCC4=O)c3)c2)CC1,YPZKTJZTAOAVDM-UHFFFAOYSA-N
-rxn:5:189320:225978:223133,CC(C)(C)OC(=O)c1cnc(-c2ccccc2N2CCNCC2)c(-c2ccc(N3CCOCC3)nc2F)c1,XSLZIUBXBMXQHT-UHFFFAOYSA-N
-rxn:5:189320:225982:223132,CC(C)(C)OC(=O)c1cnc(-c2cccc(N3CCNCC3)c2)c(-c2cnc(N3CCOCC3)cc2F)c1,FYYUYXOPPDOJDR-UHFFFAOYSA-N
-rxn:5:189322:223105:226598,CNS(=O)(=O)c1cc(-c2cnc(-c3cc(OC(C)C)c(F)cc3F)c(C(=O)OC(C)(C)C)c2)c(F)cc1C,OEHHSMUYISZAHW-UHFFFAOYSA-N
-rxn:5:189337:226842:222981,COc1c(-c2cncc(C(=O)C(F)(F)F)c2)cc(C(=O)N(C)C)cc1-c1ccnc(NC2CCCCC2)c1,PGZMDIOVTVKWSI-UHFFFAOYSA-N
-rxn:5:189449:225451:227073,COc1cc(-c2ccc(-c3ccc(SC4CCCCC4)cc3)c(C(=O)N3CC(OC)C3)c2)cc(C2CC2)c1,XSTBKSAIIVFXQC-UHFFFAOYSA-N
-rxn:5:189538:223062:223294,CC(C)N(C)C(=O)c1ccc(-c2cnc(C3CCNCC3)cc2F)c(-c2csc(N3CCNCC3)n2)c1,RHOSIFWESSYZBQ-UHFFFAOYSA-N
-rxn:5:189662:227509:225515,CC(C)Oc1cc(-c2cnc(-c3cccc4c3OCC(C)(C)CO4)c(OCC3CCOCC3)c2)cnc1F,BOUQBXRSZHXNPD-UHFFFAOYSA-N
-rxn:5:189664:225437:227052,CC(C)(C)Sc1ccc(-c2cc(-c3cccc(CN4CCCCC4)c3)ccc2CC(=O)N2CCCC2)cc1,GYJYITANFLBXPF-UHFFFAOYSA-N
-rxn:5:189665:223000:227113,Cc1cc(F)c(C2CC2)cc1-c1cc(-c2ccc(C3CCCNC3)c(F)c2)cnc1OCC1CCOCC1,SNNPXYLIZRDKKD-UHFFFAOYSA-N
-rxn:5:189667:225453:226067,CC(C)(C)[S@](=O)/N=C/c1cc(-c2ccc(C3=CCCCC3)cc2)cc(-c2cccc(SC3CCCCC3)c2)c1,SNKFVGYOICJKBC-VEPRTGNQSA-N
-rxn:5:189669:225499:226064,CC(C)(C)S(=O)/N=C/c1ccc(-c2ccc(C3CCCCC3)cc2F)c(-c2ccc(C3CCCCC3)cc2)c1,IMEYBQKJBGJHJJ-HWLOXFRGSA-N
-rxn:5:189671:226064:226069,CC(C)(C)S(=O)/N=C/c1c(-c2ccc(C3CCCCC3)cc2)cccc1-c1cccc(C2CCCCC2)c1,XMUAHAXRFHTCKC-YRRMYEEHSA-N
-rxn:5:189673:225499:223203,CC(C)(C)S(=O)/N=C/c1ccc(-c2ccc(C3CCCCC3)cc2F)cc1-c1cccc(C2(O)CCC2)c1,XKIMHXOBQGLRIH-FADJLKOXSA-N
-rxn:5:189673:225499:226915,CC(C)(C)S(=O)/N=C/c1ccc(-c2ccc(C3CCCCC3)cc2F)cc1-c1ccc(C2CCCC2)cc1,YHCTTXXUFYRMRL-GOJREDGKSA-N
-rxn:5:189676:223061:227662,Cc1ccc(-c2ccc(CC(=O)N3CCCC3)cc2-c2cc(C3CCNCC3)ncc2F)c(C(F)(F)F)c1,XQCQHPAKHOBBOK-UHFFFAOYSA-N
-rxn:5:189676:225453:227029,CC(C)(C#N)c1ccccc1-c1ccc(CC(=O)N2CCCC2)cc1-c1cccc(SC2CCCCC2)c1,FMJLMYMDAXYUFU-UHFFFAOYSA-N
-rxn:5:189826:223011:223058,CC(C)Oc1cc2cn[nH]c2cc1-c1cc(-c2cc(F)nc(C3CCCNC3)c2)ccc1CC(=O)N1CCOCC1,PUMGYYLZOCOJMB-UHFFFAOYSA-N
-rxn:5:189826:226328:225931,Cc1cc(-c2ccc(CC(=O)N3CCOCC3)c(-c3ccc(C(C)(C)C#N)c(F)c3)c2)cc(S(=O)(=O)N(C)C)c1,ZWPTWDHSXPLKDL-UHFFFAOYSA-N
-rxn:5:189826:226330:228231,CC(c1ccc(-c2cc(-c3ccc(N(C)C)cc3F)ccc2CC(=O)N2CCOCC2)s1)N1CCCC1,DZSRRQKQJGXJBZ-UHFFFAOYSA-N
-rxn:5:189827:223063:228567,CCC(C)c1sccc1-c1ccc(CC(=O)N2CCOCC2)cc1-c1cc(F)nc(C2CCNCC2)c1,ZPEKHDZLEUJJOQ-UHFFFAOYSA-N
-rxn:5:189827:227907:223062,CCC(C)c1cncc(-c2cc(CC(=O)N3CCOCC3)ccc2-c2cnc(C3CCNCC3)cc2F)c1,YBQQPVGNQGMLKD-UHFFFAOYSA-N
-rxn:5:189827:228567:223063,CCC(C)c1sccc1-c1cc(CC(=O)N2CCOCC2)ccc1-c1cc(F)nc(C2CCNCC2)c1,LTFSRGTZGIKJKP-UHFFFAOYSA-N
-rxn:5:189829:225453:227935,CCc1cc(-c2cc(C(=O)N3CCCC3)cc(-c3cccc(SC4CCCCC4)c3)c2OC)ccc1OC,MQPLKJRLCWYSFQ-UHFFFAOYSA-N
-rxn:5:189952:227316:223061,COc1c(-c2cc(F)nc(CC(C)C)c2)cc(C(=O)N2CCOCC2)cc1-c1cc(C2CCNCC2)ncc1F,ISLPBOXWLOZCJP-UHFFFAOYSA-N
-rxn:5:190000:225451:227348,COc1ccc(-c2ccc(CC(=O)N3CCCCC3)c(-c3ccc(SC4CCCCC4)cc3)c2)c(C)c1OC,GMKKYMANSAGZEE-UHFFFAOYSA-N
-rxn:5:190001:225453:227364,COc1ccc(-c2ccc(CC(=O)N3CCCCC3)cc2-c2cccc(SC3CCCCC3)c2)c(OC)c1C,YKMITJGUACSGQZ-UHFFFAOYSA-N
-rxn:5:190001:225499:225671,O=C(Cc1ccc(-c2cc(C3CCCCC3)ncc2F)c(-c2ccc(C3CCCCC3)cc2F)c1)N1CCCCC1,FUIKMRUBBDNKQT-UHFFFAOYSA-N
-rxn:5:190001:226060:227045,CC(C)(C)Sc1cccc(-c2ccc(CC(=O)N3CCCCC3)cc2-c2cc(C3CC3)cc(C3CC3)c2)c1,QSMVZQGHNZBMJS-UHFFFAOYSA-N
-rxn:5:190127:228181:225453,COCc1cc(F)ccc1-c1ccc(-c2cccc(SC3CCCCC3)c2)c(C(=O)N2CCC(OC)CC2)c1,MUKDKPWSYKRYKX-UHFFFAOYSA-N
-rxn:5:190128:225407:225886,COC1CCN(C(=O)c2ccc(-c3ccc(C4CCCCCC4)cc3)c(-c3ccc4c(ccn4S(C)(=O)=O)c3)c2)CC1,PVKLPMCGYBOLHV-UHFFFAOYSA-N
-rxn:5:190128:225976:223112,COC1CCN(C(=O)c2ccc(-c3ccnc(N4CCOCC4)c3F)c(-c3c(C(C)C)ccc4[nH]ncc34)c2)CC1,BCFVVZWOAAHILC-UHFFFAOYSA-N
-rxn:5:190128:225980:223112,COC1CCN(C(=O)c2ccc(-c3cc(N4CCOCC4)ncc3F)c(-c3c(C(C)C)ccc4[nH]ncc34)c2)CC1,XGKSYQSBNIKGHZ-UHFFFAOYSA-N
-rxn:5:190131:225440:225886,COc1c(-c2ccc(C3(C#N)CCCC3)cc2)cc(C(=O)N2CCCCC2)cc1-c1ccc2c(ccn2S(C)(=O)=O)c1,DJBWXQCWILWKRS-UHFFFAOYSA-N
-rxn:5:190132:225453:228179,COCc1cc(F)cc(-c2cc(-c3cccc(SC4CCCCC4)c3)ccc2C(=O)N2CCC(OC)CC2)c1,YBNAPTPPYHKWBG-UHFFFAOYSA-N
-rxn:5:190132:226190:227935,CCc1cc(-c2cc(-c3ccc(C4CCCC4)cc3F)ccc2C(=O)N2CCC(OC)CC2)ccc1OC,MMFHMJSTSNMCRZ-UHFFFAOYSA-N
-rxn:5:190194:222960:227907,CCC(C)c1cncc(-c2c(CN3CCC(OC)CC3)cccc2-c2cc(C)cc(C3CCNCC3)c2)c1,HUDTVVOPZMMSIK-UHFFFAOYSA-N
-rxn:5:190194:222987:227810,CCC(C)c1ccc(-c2c(CN3CCC(OC)CC3)cccc2-c2ccc(C3CCNCC3)nc2C)cc1,QAHMJBYEVRNEGC-UHFFFAOYSA-N
-rxn:5:190194:222987:227818,CCC(C)c1cccc(-c2c(CN3CCC(OC)CC3)cccc2-c2ccc(C3CCNCC3)nc2C)c1,BXTBIWNUCLTQQT-UHFFFAOYSA-N
-rxn:5:190194:225589:227973,COc1c(C)cc(-c2c(CN3CCC(OC)CC3)cccc2-c2ccc(CN3CCSCC3)cc2)cc1C,DVSFRRSYINBSMQ-UHFFFAOYSA-N
-rxn:5:190194:225638:228562,CCC(C)c1csc(-c2c(CN3CCC(OC)CC3)cccc2-c2ccc(N3CCC(C)CC3)nc2)c1,HLQZXOCWSFXCIW-UHFFFAOYSA-N
-rxn:5:190194:225655:228562,CCC(C)c1csc(-c2c(CN3CCC(OC)CC3)cccc2-c2cncc(N3CCC(C)CC3)c2)c1,UHARZCZZKCEGKI-UHFFFAOYSA-N
-rxn:5:190194:225655:228567,CCC(C)c1sccc1-c1c(CN2CCC(OC)CC2)cccc1-c1cncc(N2CCC(C)CC2)c1,PISCFCKBUZQVRS-UHFFFAOYSA-N
-rxn:5:190194:226150:227575,COc1ccc(OC)c(-c2c(CN3CCC(OC)CC3)cccc2-c2cccc(SC3CCCC3)c2)c1F,KHBTUSSEDKVLLI-UHFFFAOYSA-N
-rxn:5:190194:226427:227907,CCC(C)c1cncc(-c2c(CN3CCC(OC)CC3)cccc2-c2cc(N3CCC(C)CC3)cs2)c1,ZMUTXDFCLHXOKI-UHFFFAOYSA-N
-rxn:5:190194:227078:225453,COc1ccc(C2CC2)c(-c2cccc(CN3CCC(OC)CC3)c2-c2cccc(SC3CCCCC3)c2)c1,DUCNNLXSBSWVII-UHFFFAOYSA-N
-rxn:5:190194:227810:222987,CCC(C)c1ccc(-c2cccc(CN3CCC(OC)CC3)c2-c2ccc(C3CCNCC3)nc2C)cc1,UOISSDXOKBWPHX-UHFFFAOYSA-N
-rxn:5:190194:227907:226427,CCC(C)c1cncc(-c2cccc(CN3CCC(OC)CC3)c2-c2cc(N3CCC(C)CC3)cs2)c1,YSWCKUITAJIJLU-UHFFFAOYSA-N
-rxn:5:190194:228562:225652,CCC(C)c1csc(-c2cccc(CN3CCC(OC)CC3)c2-c2cncc(N3CCCC(C)C3)c2)c1,NYLDPYUKDQPBAD-UHFFFAOYSA-N
-rxn:5:190194:228567:225655,CCC(C)c1sccc1-c1cccc(CN2CCC(OC)CC2)c1-c1cncc(N2CCC(C)CC2)c1,MUJPDPKAUOPFON-UHFFFAOYSA-N
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-rxn:5:190195:225976:226794,CN(Cc1ccc(-c2ccnc(N3CCOCC3)c2F)c(-c2cnc(N3CCSCC3)nc2)c1)C1CCOCC1,FYZJKEBNVOUJBR-UHFFFAOYSA-N
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-rxn:5:190740:223058:225454,CCOC(=O)c1cnc2c(C)cc(-c3cc(F)nc(C4CCCNC4)c3)cc2c1-c1ccc(C2=CCN(C)CC2)cc1,FITWTCMCOBRORS-UHFFFAOYSA-N
-rxn:5:190740:223063:225454,CCOC(=O)c1cnc2c(C)cc(-c3cc(F)nc(C4CCNCC4)c3)cc2c1-c1ccc(C2=CCN(C)CC2)cc1,DFTDINHBKABRMK-UHFFFAOYSA-N
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-rxn:5:190740:225607:226438,CCOC(=O)c1cnc2c(C)cc(-c3ccc(C(C)N4CCCCC4)s3)cc2c1-c1cnc(C2CCCC2)cc1F,JOXQZBVDDUPLLS-UHFFFAOYSA-N
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-rxn:5:190740:225640:225671,CCOC(=O)c1cnc2c(C)cc(-c3ccnc(N4CCCCC4C)c3)cc2c1-c1cc(C2CCCCC2)ncc1F,ZWOHETXPXYOHEV-UHFFFAOYSA-N
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-rxn:5:190742:223062:225454,CCOC(=O)c1cnc2c(C)ccc(-c3cnc(C4CCNCC4)cc3F)c2c1-c1ccc(C2=CCN(C)CC2)cc1,OABDENUVSYTYHW-UHFFFAOYSA-N
-rxn:5:190742:223063:225454,CCOC(=O)c1cnc2c(C)ccc(-c3cc(F)nc(C4CCNCC4)c3)c2c1-c1ccc(C2=CCN(C)CC2)cc1,XAZPYVZMQYERIQ-UHFFFAOYSA-N
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-rxn:5:190742:225636:222994,CCOC(=O)c1cnc2c(C)ccc(-c3ccnc(N4CCC(C)CC4)c3)c2c1-c1cccc(N2CCC(O)CC2)c1,GKHAKSRBJSEBPB-UHFFFAOYSA-N
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-rxn:5:190742:225674:225636,CCOC(=O)c1cnc2c(C)ccc(-c3cnc(C4CCCCC4)cc3F)c2c1-c1ccnc(N2CCC(C)CC2)c1,VEOFXNQUXAVOSQ-UHFFFAOYSA-N
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-rxn:5:190742:225849:222994,CCOC(=O)c1cnc2c(C)ccc(-c3cnc(N4CCCCC4)cc3F)c2c1-c1cccc(N2CCC(O)CC2)c1,XOQQEISARZWFLX-UHFFFAOYSA-N
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-rxn:5:191026:228515:226067,CCc1cccc(C)c1-c1ccc2c(c1)N(c1ccc(C)c(-c3ccc(C4=CCCCC4)cc3)c1)C=C(C(=O)OC)S2(=O)=O,WUIIDDRIJAFCIE-UHFFFAOYSA-N
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-rxn:5:193331:223136:226686,Cc1cnn(C2CCCCO2)c1-c1cc(-c2ccncc2C2CCCNC2)ccc1CN1CCOCC1,STLMHXWAMIIORZ-UHFFFAOYSA-N
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-rxn:5:193382:223002:227086,O=S(=O)(c1ccc(-c2ccc(C3CCNCC3)cc2F)cc1-c1ccnc(C2CCCC2)c1)N1CCOCC1,HNQXCRFKDXOSNR-UHFFFAOYSA-N
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-rxn:5:193382:223139:225926,O=S(=O)(c1ccc(-c2cc(-c3ccc(C4CCNCC4)nc3)ccc2S(=O)(=O)N2CCOCC2)cc1)N1CCC1,DBMIQCIVZBLIMW-UHFFFAOYSA-N
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-rxn:5:193382:225661:225879,Cc1cc(N2CCOCC2)ccc1-c1ccc(S(=O)(=O)N2CCOCC2)c(-c2ccc(N3CCOCC3)cc2F)c1,XEFTYTVQRZPOAK-UHFFFAOYSA-N
-rxn:5:193382:225833:227387,O=S(=O)(c1ccc(-c2ccnc(N3CCCCC3)c2F)cc1-c1ccnc(N2CCCC2)c1)N1CCOCC1,UKFZRAJFEBDOAZ-UHFFFAOYSA-N
-rxn:5:193382:225926:223137,O=S(=O)(c1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3cncc(C4CCCNC4)c3)c2)cc1)N1CCC1,ILSOLCAZJHPKMO-UHFFFAOYSA-N
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-rxn:5:193382:227656:223142,O=S(=O)(c1ccc(-c2cc(N3CCOCC3)cs2)cc1-c1ccc(C2CCCNC2)nc1)N1CCOCC1,ZUUYAAGUQNMUOC-UHFFFAOYSA-N
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-rxn:5:193465:225453:225618,C[C@H]1CCCN1C(=O)c1cccc(-c2cccc(OC3CCCCO3)c2)c1-c1cccc(SC2CCCCC2)c1,KKXRSQKXVQPGTH-CPMFFWQLSA-N
-rxn:5:193506:223146:223289,CNS(=O)(=O)c1ccccc1-c1cc(-c2cccc(C3CNCCO3)c2)ccc1S(=O)(=O)N1CCC(=O)CC1,UAASVQWQUDDXSK-UHFFFAOYSA-N
-rxn:5:193506:223148:223384,CNC(=O)c1ccc(-c2cc(-c3ccccc3C3CNCCO3)ccc2S(=O)(=O)N2CCC(=O)CC2)cn1,OOUQPOPEBRYLQN-UHFFFAOYSA-N
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-rxn:5:193506:223312:226661,CN1CCN(c2csc(-c3cc(-c4ccc(C5CNC5)cc4)ccc3S(=O)(=O)N3CCC(=O)CC3)c2)CC1,HQWQJVVMUZFEEP-UHFFFAOYSA-N
-rxn:5:193506:225607:223201,CC(c1ccc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3ccccc3C3CCNC3)c2)s1)N1CCCCC1,QYUMEFGGDATTLX-UHFFFAOYSA-N
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-rxn:5:193506:228115:226457,CC(C)Oc1ccc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3ccc(C4CCOC4)c(F)c3)c2)cn1,VMWVTNOGXZEZOR-UHFFFAOYSA-N
-rxn:5:193537:222409:222405,COc1ccc(-c2c(CN3CCCCC3)cccc2-c2cccc(C3NC(=O)NC3=O)c2)cc1S(N)(=O)=O,CWFALQAVJAULPQ-UHFFFAOYSA-N
-rxn:5:193540:226849:225816,COc1nccc(-c2ccc(CN3CCCCC3)c(-c3cc(C4CC4)ccc3C(F)(F)F)c2)c1C(F)(F)F,RPBRFHRBUHRAEK-UHFFFAOYSA-N
-rxn:5:193542:226686:226663,Cc1cnn(C2CCCCO2)c1-c1cccc(CN2CCCCC2)c1-c1ccc(N2CCSCC2)nc1,UUDSSYYMZDMAKC-UHFFFAOYSA-N
-rxn:5:193748:223062:226590,CC1CCCN(C(=O)c2cc(-c3cnc(C4CCNCC4)cc3F)ccc2-c2ccc(OC3CCOC3)nc2)C1,YMYAVSCFMDYIGY-UHFFFAOYSA-N
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-rxn:5:193754:223183:227048,CNS(=O)(=O)c1ccc(-c2cccc(C(=O)N3CCC(C)CC3)c2-c2ccc(C(=O)C(C)C)cc2)c(C)c1,SFGPNLRJUWQIDH-UHFFFAOYSA-N
-rxn:5:193754:225445:225886,CC1CCN(C(=O)c2cccc(-c3ccccc3OC3CCCCC3)c2-c2ccc3c(ccn3S(C)(=O)=O)c2)CC1,NIYYYWUALXWPHQ-UHFFFAOYSA-N
-rxn:5:193755:223284:226761,CSc1ccc(-c2c(C(=O)N3CCCC(C)C3)cccc2-c2ccc(NS(C)(=O)=O)cc2)c(C(F)(F)F)c1,VAVRUPBWOGEZOM-UHFFFAOYSA-N
-rxn:5:193756:225818:227093,CC1CCCCN1C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2C2CC2)cc1-c1cccnc1C1CCCC1,QCTIDZJAYHZVGW-UHFFFAOYSA-N
-rxn:5:193756:225849:226747,CCc1ncc(-c2cc(-c3cnc(N4CCCCC4)cc3F)ccc2C(=O)N2CCCCC2C)cc1C(F)(F)F,KMPCPLDBKPMZLS-UHFFFAOYSA-N
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-rxn:5:193756:227094:226664,CC1CCCCN1C(=O)c1ccc(-c2cnccc2C2CCCC2)cc1-c1cc(N2CCCC2)ncc1F,MQTFCDJHJBHRHG-UHFFFAOYSA-N
-rxn:5:193756:227387:225613,CC1CCCCN1C(=O)c1ccc(-c2ccnc(N3CCCC3)c2)cc1-c1ccnc(OC2CCCCC2)c1,MWDKWDWGIMDYDL-UHFFFAOYSA-N
-rxn:5:193756:227512:226745,CCc1ncc(C(F)(F)F)cc1-c1cc(-c2cc(C(=O)OC)ncc2C)ccc1C(=O)N1CCCCC1C,REVXVSLENDBAPM-UHFFFAOYSA-N
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-rxn:5:193808:225453:227349,COc1cc(C)cc(-c2ccc(-c3cccc(SC4CCCCC4)c3)cc2CN2CCC(C)CC2)c1OC,SWPMMOIGTWHREH-UHFFFAOYSA-N
-rxn:5:193866:223063:227302,Cc1cc(-c2cc(C3(N4CCC(=O)CC4)CC3)ccc2-c2cc(F)nc(C3CCNCC3)c2)cnc1OC(C)C,KHRNDJRXFDQLJW-UHFFFAOYSA-N
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-rxn:5:196791:225655:225976,CC1CCN(c2cncc(-c3cccc(N4CCOCC4=O)c3-c3ccnc(N4CCOCC4)c3F)c2)CC1,QTPSGGRGFSGIPB-UHFFFAOYSA-N
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-rxn:5:196795:225652:226158,CC1CCCN(c2cncc(-c3cc(N4CCOCC4=O)ccc3-c3ccccc3N3CCCCC3)c2)C1,QHFDJICXZIULFG-UHFFFAOYSA-N
-rxn:5:196873:225438:226686,Cc1cnn(C2CCCCO2)c1-c1cc(N2CCOCC2)ccc1-c1ccc(C(C)N2CCCC2)cc1,WECPYZFBYUUINX-UHFFFAOYSA-N
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-rxn:5:196969:226197:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(C2CCCCC2)ncc1-c1ccc(C2CCCOC2)cc1,PQUYUCDVWILEJG-UHFFFAOYSA-N
-rxn:5:196969:226686:225884,Cc1cnn(C2CCCCO2)c1-c1cnc(C2CCCCC2)cc1-c1ccc(C2COCCO2)c(F)c1,CAVHPSWWNXBGCU-UHFFFAOYSA-N
-rxn:5:196970:223063:223064,Fc1cc(-c2c(C3CCCCC3)ccnc2-c2ccc(C3CCNCC3)nc2F)cc(C2CCNCC2)n1,SUQALQVUJQCXJT-UHFFFAOYSA-N
-rxn:5:196970:225462:222960,Cc1cc(-c2nccc(C3CCCCC3)c2-c2cccc(N3CCC(C)CC3)c2)cc(C2CCNCC2)c1,FHSFCXWPUGCJOO-UHFFFAOYSA-N
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-rxn:5:196978:222990:226686,Cc1cnn(C2CCCCO2)c1-c1cc(-c2ccc(N3CCC(O)CC3)cc2)ccc1N1CCCCC1,XJYKQQXCJQBGRO-UHFFFAOYSA-N
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-rxn:5:196978:226176:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2ccncc2C2CCCCC2)ccc1N1CCCCC1,HHICVRCTAPRZCT-UHFFFAOYSA-N
-rxn:5:196979:225832:223137,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2cncc(C3CCCNC3)c2)cc(N2CCCCC2)c1,IYQMNRDSHGYBRJ-UHFFFAOYSA-N
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-rxn:5:197876:225450:228261,CSc1ccc(F)c(C)c1-c1cc2c(cc1-c1ccc(C(=O)C3CCCC3)cc1)S(=O)(=O)N(C(C)(C)C)C2=O,BSJDSXOLQCRGKY-UHFFFAOYSA-N
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-rxn:5:197876:226191:228219,CC(C)c1cc(F)c(-c2cc3c(cc2-c2cc(C4CCCC4)ccc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cn1,QDBFJZXWYGEQMJ-UHFFFAOYSA-N
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-rxn:5:197876:227048:226914,Cc1cc(CC(C)C)ccc1-c1cc2c(cc1-c1ccc(C(=O)C(C)C)cc1)S(=O)(=O)N(C(C)(C)C)C2=O,YBINLOQLMBBSBW-UHFFFAOYSA-N
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-rxn:5:197876:227810:225451,CCC(C)c1ccc(-c2cc3c(cc2-c2ccc(SC4CCCCC4)cc2)C(=O)N(C(C)(C)C)S3(=O)=O)cc1,XBTJINWCHHNIJL-UHFFFAOYSA-N
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-rxn:5:197876:227823:226129,CC(C)(C)c1ccccc1-c1cc2c(cc1-c1cccc(CN3CCCC3)c1)C(=O)N(C(C)(C)C)S2(=O)=O,VPKGNWSAMLENSC-UHFFFAOYSA-N
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-rxn:5:197876:227830:226176,CC1(c2ccc(-c3cc4c(cc3-c3ccncc3C3CCCCC3)C(=O)N(C(C)(C)C)S4(=O)=O)cc2)CC1,PPBYENRNTDBINL-UHFFFAOYSA-N
-rxn:5:197876:227989:225450,CC#Cc1ccc(F)c(-c2cc3c(cc2-c2ccc(C(=O)C4CCCC4)cc2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,MVPZLAILBNQCQF-UHFFFAOYSA-N
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-rxn:5:227933:178295:227328,CCc1ccc(OC)cc1-c1ccc(-c2cc(F)cc(OC(C)C)c2)cc1C1(C(=O)OC)CCC(=O)CC1,FBXNSKPYTSOUJY-UHFFFAOYSA-N
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-rxn:4:173572:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2cc(COC(C)(C)C)cc(COC(C)(C)C)c2)cc1,VWXWXUBJFFELSL-UHFFFAOYSA-N
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-rxn:4:178597:226363,Cn1ccnc1-c1ccc(-c2ccc(OC(=O)C3OC4OC(C)(C)OC4C4OC(C)(C)OC34)cc2)cc1,MSHZYTWMRFLFEN-UHFFFAOYSA-N
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-rxn:4:182372:224087,CO[C@H]1CC[C@]2(CC1)Cc1ccc(-c3cccc(OCCN4CCCCCC4)c3)cc1C2=O,NPRSTKALMOEUAP-UAHYGDRYSA-N
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-rxn:4:183272:227540,COc1c(F)cc(SC)cc1-c1ccc2c(c1)OCCOCCOCCOCCOCCO2,OBBLOYUHQBBIOM-UHFFFAOYSA-N
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-rxn:4:183273:225648,Cc1ccc(-c2ncc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cn2)cc1,NHVYYOGXRYJNOU-UHFFFAOYSA-N
-rxn:4:183273:228843,Cc1cc(F)cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1Cl,WLOQRCJCBPQJIV-UHFFFAOYSA-N
-rxn:4:183273:229314,Cc1ncsc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,HIBQIYXPVRGAGR-UHFFFAOYSA-N
-rxn:4:183274:226627,Cc1nn(-c2cccnc2)cc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCOCCO2,NEKXCZYFXZQUGM-UHFFFAOYSA-N
-rxn:4:183520:224372,CCOC(=O)Cc1c(-c2cc(C(=O)N3CCCC3)cc([N+](=O)[O-])c2)cc(C#N)cc1C(F)(F)F,NMUNNVPFYHOZJM-UHFFFAOYSA-N
-rxn:4:183521:222928,CCOC(=O)Cc1cc(C#N)cc(C(F)(F)F)c1-c1cnc(N2CCC(O)CC2)nc1C,FHIQXSDRLLRICB-UHFFFAOYSA-N
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-rxn:4:183605:224161,COC(=O)c1cc(OCC2CC2)c(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)C3)cc1[N+](=O)[O-],MEADDXILPMIQMS-UHFFFAOYSA-N
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-rxn:4:183646:227754,O=C(ON1C(=O)CCC1=O)c1ccc(-c2c(Cl)cccc2C(F)(F)F)cc1OCC(F)(F)F,VKSJNWGWPUYHTA-UHFFFAOYSA-N
-rxn:4:183666:225212,COC(=O)C(Oc1cccc([N+](=O)[O-])c1-c1cc(F)cc(N2CCN(C)CC2)c1)C(C)C,AVDXLAYZHZZETK-UHFFFAOYSA-N
-rxn:4:183723:222806,CCCNC(=O)c1cc(-c2ccc(OC(F)(F)F)cc2OCCN2CCCC2)cc([N+](=O)[O-])c1,OPXDHVSCNYBGOQ-UHFFFAOYSA-N
-rxn:4:183731:226244,CCCCOc1cccc(F)c1-c1ccc(OC(F)(F)F)cc1OCCN1CCC(F)(F)C1,IWASPRYLYCKAJX-UHFFFAOYSA-N
-rxn:4:183772:226843,O=C(COc1cc(OC(F)(F)F)ccc1-c1ccc(C(=O)C(F)(F)F)nc1)N1CCCC(F)(F)C1,GEYGANDXQYYTRW-UHFFFAOYSA-N
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-rxn:4:183826:223079,CC(C)NS(=O)(=O)c1cccc(-c2cccc(CN(C(=O)OC(C)(C)C)C3CC3)c2Cl)c1,HQYNFFZVIRSLLN-UHFFFAOYSA-N
-rxn:4:183839:223084,COC(=O)C1CCCCN1C(=O)COc1ccc(-c2cnc(N3CCC(O)CC3)nc2)cc1,YVUZBSOGGFIUON-UHFFFAOYSA-N
-rxn:4:183878:225557,COC(=O)C1(c2ccc(-c3cc(Cl)cc(OCC4CN(C(=O)OC(C)(C)C)C4)c3)cc2)CC1,YITMUTHGLMNJRC-UHFFFAOYSA-N
-rxn:4:183892:226794,COC(=O)c1cc(OCCN2CCC(F)(F)CC2)cc(-c2cnc(N3CCSCC3)nc2)c1,FXKIOHWBDFHLCY-UHFFFAOYSA-N
-rxn:4:183892:227426,COC(=O)c1cc(OCCN2CCC(F)(F)CC2)cc(-c2ccc(C3CCCO3)nc2)c1,SDJREBICXLWMJT-UHFFFAOYSA-N
-rxn:4:183915:223693,CC1CCN(CCOc2ccc(OC(F)(F)F)cc2-c2cc(O[Si](C)(C)C(C)(C)C)cc(C(F)(F)F)c2F)CC1,PVHPBIALKJFKFQ-UHFFFAOYSA-N
-rxn:4:183928:224075,CC(c1ccc(-c2ccc3ccn([Si](C)(C)C(C)(C)C)c3c2)cc1)N(C(=O)OC(C)(C)C)C1CC1,QKLHQHNNGBVWTB-UHFFFAOYSA-N
-rxn:4:183941:223274,CCCCN(C1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(-c2ccc(C(=O)NC)cc2Cl)cc1,QJBNZCAXIPYYEL-UHFFFAOYSA-N
-rxn:4:183984:222637,Cc1cc(-c2ccc(C(C)NC(=O)OC(C)(C)C)cc2)ccc1CN(C(=O)OC(C)(C)C)C(C)C,PFQWSFPYONJAAW-UHFFFAOYSA-N
-rxn:4:183984:224727,COC(=O)c1cc(-c2ccc(CN(C(=O)OC(C)(C)C)C(C)C)c(C)c2)cc(OC(C)(C)C)n1,DOYJHVVUQRAFHM-UHFFFAOYSA-N
-rxn:4:183985:222905,CC(C)[Si](Oc1ccc(-c2cccnc2NC(=O)OC(C)(C)C)c(C#N)c1)(C(C)C)C(C)C,BCENAQAAKZQFHQ-UHFFFAOYSA-N
-rxn:4:183990:222707,CCOc1ccc(N(C(=O)c2cccc(-c3ccnc(CNC(=O)OC(C)(C)C)c3F)c2)C2C=CS(=O)(=O)C2)cc1,DZXZWVZZNNPURB-UHFFFAOYSA-N
-rxn:4:184010:223923,CCOc1ccc(-c2ccc(F)c(C(=O)N(C)C3CCCCC3)c2)cc1S(=O)(=O)N(CC)C1CCCCC1,QDZPOBUMCWMEFM-UHFFFAOYSA-N
-rxn:4:184064:227048,Cc1ccc(CN(C(=O)OC(C)(C)C)C2CCCC2)c(-c2ccc(C(=O)C(C)C)cc2)c1,GELMIOKHOFBUQN-UHFFFAOYSA-N
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-rxn:4:185433:225325,CCOC(=O)c1cc(-c2cc(C3CC3)cc(C3CCN(C(=O)OC(C)(C)C)CC3)c2)cc([N+](=O)[O-])c1,BBEDSYDPRYTLGK-UHFFFAOYSA-N
-rxn:4:185435:223815,CC(C)(C)c1ccc(C(=O)N(c2ccc(-c3ccc(Cl)c(CN4CCC5(CC4)OCCO5)c3)cc2)C2C=CS(=O)(=O)C2)cc1,DHQZSCNDMGQSGM-UHFFFAOYSA-N
-rxn:4:185440:222920,Cc1cc(S(=O)(=O)NC2CC2)ccc1-c1ccc(S(=O)(=O)N2CCC(O[Si](C)(C)C(C)(C)C)CC2)cc1F,HIHFZFVMLMODHL-UHFFFAOYSA-N
-rxn:4:185440:223748,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3cc(N4CCCCC4)cc(N4CCCCC4)c3)c(F)c2)CC1,BYLRUXTWJZWJGL-UHFFFAOYSA-N
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-rxn:4:186704:223896,COC(=O)c1ccc(-c2cccc(OC)c2C(=O)N(C(C)C)C(C)C)c(CN2CCC2)c1,YLYZCHIMDQZENL-UHFFFAOYSA-N
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-rxn:4:186942:222439,COC(=O)c1ccc(CN2CCCC2)c(-c2ccc(S(=O)(=O)NC3CCCCC3)cc2C(F)(F)F)c1,FWBYQXSRPHBNGW-UHFFFAOYSA-N
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-rxn:4:187010:223528,CC(C)c1ccccc1Oc1c(C#N)cccc1-c1ccc(F)c(CN2CCN(C(=O)OC(C)(C)C)CC2)c1,DICMGQJIPKACAH-UHFFFAOYSA-N
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-rxn:4:187134:222820,COc1ccc(-c2ccc(S(=O)(=O)NC(C)(C)C)c(F)c2)c(OC)c1C(=O)N1CCOCC1,AJOKXZGXRLSFEM-UHFFFAOYSA-N
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-rxn:4:187212:223895,CCN1CCN(CCOc2ccc(-c3ccc(C4CN(C(=O)OC(C)(C)C)C4)cc3F)cc2)CC1,ZOMMMXRBVCZOEK-UHFFFAOYSA-N
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-rxn:4:187372:224885,CCCC1CCCCN1C(=O)c1cccc(-c2ccccc2CN2CCC(C)CC2)c1F,COZLASCUTUBORS-UHFFFAOYSA-N
-rxn:4:187389:225923,Cc1cc(CC(=O)N2CCCC(C(F)(F)F)C2)ccc1-c1cnc(OC2CCCC2)nc1Cl,VNXUHKZFVINSAA-UHFFFAOYSA-N
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-rxn:4:187428:222944,COC(=O)c1cc(-c2ccc(S(=O)(=O)NC3CC3)cc2F)ccc1CN1CCCCC1C,URSJMJXBWVRSNK-UHFFFAOYSA-N
-rxn:4:187437:222867,Cc1ccc(C2CN(C(=O)OC(C)(C)C)C2)c(-c2ccc(NC(=O)OC(C)(C)C)cc2)c1,BOAXGGNWIHTWQL-UHFFFAOYSA-N
-rxn:4:187462:223789,COC(=O)c1cc(O[Si](C)(C)C(C)(C)C)cc(-c2ccc(C3SCCN3S(=O)(=O)c3ccc(OC)cc3)cc2)c1,QHTKSZFJLAKMAM-UHFFFAOYSA-N
-rxn:4:187466:223743,COc1ccc(C2SCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1-c1ccc(C)c(OCCCN2CCC(C)CC2)c1,CDDJWTWHIWEEST-UHFFFAOYSA-N
-rxn:4:187504:226844,O=C(c1cc(-c2ccc(OCCN3CCC4(CC3)OCCO4)c(F)c2)ccn1)C(F)(F)F,HYZUHPQKOGDBBX-UHFFFAOYSA-N
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-rxn:4:187557:223832,COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1-c1ccc([C@H]2CCCC(=O)N2C(=O)OC(C)(C)C)cc1,CHGQPKNQEKJTSZ-RUZDIDTESA-N
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-rxn:4:187570:225571,COC(=O)c1ccc(-c2c(C)cc(OCC(=O)N3CCC(C)CC3)cc2C)c(C2CC2)c1,FFLYJILAJOAQCO-UHFFFAOYSA-N
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-rxn:4:187636:222522,COc1ccc(-c2ccccc2Oc2ccc(C(=O)N3CCCCC3C)cc2)cc1S(=O)(=O)N1CCC(O)CC1,ZHPGIHGTHSWXOV-UHFFFAOYSA-N
-rxn:4:187659:222868,CC(C)(C)OC(=O)Nc1ccccc1-c1ccc(C2(C)CCN(C(=O)OC(C)(C)C)CC2)cc1,PPPJPBCCASODTM-UHFFFAOYSA-N
-rxn:4:187695:222773,CC(C)(C)[Si](C)(C)OC1CCN(c2cc(F)cc(-c3ccc(C(=O)NC4CCOCC4)cc3)c2)CC1,ABCNCDGDAWFUHG-UHFFFAOYSA-N
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-rxn:4:187891:223839,COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1ccc(C=C2Oc3cc(OC(=O)N(C)C)ccc3C2=O)cc1,CAQSIDIZYJWTKT-UHFFFAOYSA-N
-rxn:4:187933:223572,CC1CCN(C(=O)COc2ccc3ccccc3c2-c2ccc(S(=O)(=O)N3CCC(C)CC3)c3ccccc23)CC1,CIBRCTJGIUPLDE-UHFFFAOYSA-N
-rxn:4:187963:224497,CCN1CCN(Cc2ccc(-c3ccc4c(c3)CN(C(C)c3ccc(OC)c(OC)c3)C(=O)CO4)cc2)CC1,OOAWKCXYCKWJBB-UHFFFAOYSA-N
-rxn:4:187969:222694,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3cccc(S(=O)(=O)NC4CCCCC4)c3)cccc21,QIQDLDZOMONRLP-UHFFFAOYSA-N
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-rxn:4:187972:224612,O=C1OC2(CCN(C(=O)CCc3ccccc3-c3ccc(OCCN4CCOCC4)cc3)CC2)c2ccccc21,YLDXXDWOGRBVON-UHFFFAOYSA-N
-rxn:4:187996:228847,Cc1cc(Cl)cc(F)c1-c1ccc2c(c1)OC(C1CCN(C(=O)OC(C)(C)C)CC1)CC2=O,XRSOLEWHVNKUIH-UHFFFAOYSA-N
-rxn:4:187999:228811,COc1cc(-c2cc(SC)ccc2F)cc2c1OC1(CCN(C(=O)OC(C)(C)C)CC1)CC2=O,VVIVIQBUTLDIJH-UHFFFAOYSA-N
-rxn:4:188172:223589,Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1cc(F)cc(OC(F)F)c1[N+](=O)[O-],SAIKDFRBGAUOJE-UHFFFAOYSA-N
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-rxn:4:189500:224773,Cc1cc(-c2cc(N3CCCC3=O)ccc2OC(F)(F)F)ccc1S(=O)(=O)N1CCCC1,YFGRTZXBEFAEJK-UHFFFAOYSA-N
-rxn:4:189605:224493,COc1ccc(-c2ccc(CO[Si](C)(C)C(C)(C)C)cc2)cc1C=C1N=C(SC)SC1=O,VBIPMDVDGJWNTP-UHFFFAOYSA-N
-rxn:4:189702:224667,CN1CCN(Cc2cc(-c3ccc(C(=O)N4CCC(S(C)(=O)=O)C4)o3)ccc2Cl)CC1,ZTULJTZMRJVCQB-UHFFFAOYSA-N
-rxn:4:189704:223832,COC(=O)C1CC(=O)N(c2ccccc2-c2cc(S(=O)(=O)N3CCC(C)CC3)ccc2OC)C1,FXWZOBIPJFXDLF-UHFFFAOYSA-N
-rxn:4:189730:224650,O=C(c1cc(C(F)(F)F)ccc1-c1cc(F)ccc1OCC1CCOCC1)N1CCCC1,NDIHWYABJGFEHL-UHFFFAOYSA-N
-rxn:4:189811:223533,COc1ccc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)cc2F)cc1C1(C#N)CCCC1,KZIXFOXMXGVGKV-UHFFFAOYSA-N
-rxn:4:189918:224485,CC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2ccc([N+](=O)[O-])c(OC3CCCCC3)c2)c1,UOWCCIDFXHBQKD-UHFFFAOYSA-N
-rxn:4:189922:224254,COC(=O)c1cnc(C2CCOCC2)cc1-c1ccc(F)c(C(=O)N2CCCC(C)C2)c1,FHIKGWQLEFKISY-UHFFFAOYSA-N
-rxn:4:189972:225898,O=S(=O)(c1ccc(-c2cnn(CCN3CCOCC3)c2)cc1C(F)(F)F)N1CCOCC1,IZKSPAVZCVOFHA-UHFFFAOYSA-N
-rxn:4:190085:224269,CC(C)(C)OC(=O)n1cc(-c2cccc(C(F)(F)F)c2C(=O)N2CCC(F)(F)CC2)c2ccncc21,IZXLYGLNWLQZAT-UHFFFAOYSA-N
-rxn:4:190102:222514,COc1ccc(-c2ccc(CCN3CCC(F)CC3)cc2)cc1S(=O)(=O)NC1CCCCC1,CYZVABGLCDKNEU-UHFFFAOYSA-N
-rxn:4:190130:224827,COC(=O)c1ccc(OC(F)(F)F)cc1-c1ccc(Cl)c(CCN2CCCC(F)(F)C2)c1,QDBDTKMMJGKNIO-UHFFFAOYSA-N
-rxn:4:190140:224792,COC(=O)c1cc(F)c(N2CCCCC2)cc1-c1cc(C(F)(F)F)cnc1SCC(C)C,VQUFPRVHLATCLB-UHFFFAOYSA-N
-rxn:4:190159:223689,CCN1CCN(S(=O)(=O)c2cc(-c3cc(S(C)(=O)=O)ccc3CN3CCC(F)(F)C3)ccc2OC)CC1,BBHXINYXVKMWSB-UHFFFAOYSA-N
-rxn:4:190161:224575,COc1c(Cl)cc(C(=O)N2CCCC(F)(F)C2)cc1-c1ccc(N2CCC(C)CC2)cc1C#N,YRDBQFGGKBVIFX-UHFFFAOYSA-N
-rxn:4:190162:223078,CCNS(=O)(=O)c1ccc(-c2cc(C(=O)N3CCC(F)(F)CC3)cc(Cl)c2OC)c(C)c1,AENDRSGQJZXQJB-UHFFFAOYSA-N
-rxn:4:190204:224128,CN(Cc1ccc(-c2ccc(C(=O)N(C)C3CCCCC3)cc2)cc1F)C1CCOCC1,PDMVNMFPXYKEOL-UHFFFAOYSA-N
-rxn:4:190235:223888,CCC(=O)C1CCCN(c2c(F)cccc2-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CCC3)C1=O,NAJBBLFIHLEAEA-UHFFFAOYSA-N
-rxn:4:190320:223977,COc1ccc(-c2cc(C(F)(F)F)ccc2C(=O)OC(C)(C)C)c(C(=O)N2CCCCC2C)c1,GODLFQSKEBFGQT-UHFFFAOYSA-N
-rxn:4:190322:222723,CCS(=O)(=O)N1CCC(c2ccc(-c3cccc(NS(=O)(=O)N4CCOCC4)c3)cc2)CC1,MABJGTYVHJYOOB-UHFFFAOYSA-N
-rxn:4:190343:225192,CC1CCCCN1Cc1cc(C(F)(F)F)ccc1-c1cc(OC2CCCCC2)ncc1F,NSFSYRKQMWEQKH-UHFFFAOYSA-N
-rxn:4:190366:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3ccc(C4CCCN4CC4CCC4)cc3)cc2)CC1,OGECAZDXPQJQEU-UHFFFAOYSA-N
-rxn:4:190379:222826,COc1cc(S(=O)(=O)N2CCCC(C)C2)ccc1-c1cccc(S(=O)(=O)N2CCNCC2)c1,XZGFASHZEWAZDU-UHFFFAOYSA-N
-rxn:4:190443:222788,COc1cc(C)c(-c2ccc(NC(=O)OC(C)(C)C)cc2F)cc1S(=O)(=O)N1CCCCC1C,NVQANWGARJKBSB-UHFFFAOYSA-N
-rxn:4:190669:222585,COCCN1Cc2cc(-c3ccccc3C(=O)NCCN3CCOCC3)c(F)cc2C1=O,LTSURFSDIXZUEX-UHFFFAOYSA-N
-rxn:4:190791:224203,COc1cc(C(=O)N2CCCCC2)ccc1-c1ccc(C(=O)N2CC3CC3C2)cc1OC,CBCGZNOIWQABQT-UHFFFAOYSA-N
-rxn:4:190847:224486,CC(C)N(C(=O)c1cccc(-c2csc3c2CN(C(=O)OC(C)(C)C)CC3)c1)C(C)C,JEFYVDANHQKNPI-UHFFFAOYSA-N
-rxn:4:190927:222740,CC(C)c1cc(-c2ccc3c(c2)CCN(C(=O)OC(C)(C)C)C3=O)cc(C2CCCNC2)n1,TUCYZWORMNXKCU-UHFFFAOYSA-N
-rxn:4:190952:222751,Cc1ccc(-c2ccc3c(c2)CCN(C(=O)OC(C)(C)C)C3)cc1NC(=O)OC(C)(C)C,OHBFGHQDQDHBOJ-UHFFFAOYSA-N
-rxn:4:190953:223788,CC(C)(C)OC(=O)N1CCc2ccc(-c3ccc(OC4CN(C(=O)OC(C)(C)C)C4)cc3)cc2C1,AQUQCTFJYIOAMG-UHFFFAOYSA-N
-rxn:4:190962:223523,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc(CC(=O)N4C5CCC4CC(F)C5)cc3)c3ccccc23)CC1,GHPGKBTXKHRJBB-UHFFFAOYSA-N
-rxn:4:190973:223698,Cc1cccc(CC(=O)N2CCc3cc(-c4ccc(OC(F)(F)F)c(S(=O)(=O)N5CCCC5)c4)ccc32)c1,ZFPRZILQMXECIO-UHFFFAOYSA-N
-rxn:4:190975:223047,CC(C)(C)OC(=O)N1CCC(F)(F)c2cc(-c3cc(F)cc(C(=O)NC4CC4)c3)ccc21,LBMFZZJDGMHCSV-UHFFFAOYSA-N
-rxn:4:190976:223673,CC(C)(C)OC(=O)N1Cc2ccc(-c3cccc(COc4cc(C(F)(F)F)ccc4Cl)c3)cc2C(F)(F)C1,ILRRCTFRJAAWKB-UHFFFAOYSA-N
-rxn:4:190985:224009,COc1ccc(-c2cccc(C(=O)N3C4CCC3CC(OC)C4)c2)cc1S(=O)(=O)N1CCOCC1,DQVFQHXNVQEXSV-UHFFFAOYSA-N
-rxn:4:190986:222940,CC(C)(C)NS(=O)(=O)c1cncc(-c2cccc3c2OCCN(C(=O)OC(C)(C)C)C3)c1,QHWPVIJISDDAGW-UHFFFAOYSA-N
-rxn:4:191037:222935,Cc1cc2c(c(-c3ccc(CNS(=O)(=O)N(C)C)cc3)c1)CN(C(=O)OC(C)(C)C)CC2,WPCQKFYKWZTYDH-UHFFFAOYSA-N
-rxn:4:191041:224570,CC(c1ccc(-c2cccc(C(=O)N3C4CCC3CC(S(C)(=O)=O)C4)c2)cc1)N1CCN(C)CC1,IMFLAHBGPFKJEA-UHFFFAOYSA-N
-rxn:4:191055:225453,CC(C)(C)OC(=O)N1Cc2ccc(-c3cccc(SC4CCCCC4)c3)cc2C2(CC2)C1,ZHRCCAKRODWGNU-UHFFFAOYSA-N
-rxn:4:191073:224736,CC(C)COc1cc(C(F)(F)F)ccc1-c1ccc2c(c1)C1(CCN(C(=O)OC(C)(C)C)C1)OC2,YYXYSOUQNBBNSD-UHFFFAOYSA-N
-rxn:4:191087:224082,CCC(C(=O)OC(C)(C)C)c1cccc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CCC3(C)C)c1,GCXOTGQUWGESNI-UHFFFAOYSA-N
-rxn:4:191088:222912,CC(C)CNS(=O)(=O)c1ccc(-c2ccc3c(c2)C(C)(C)CCN3C(=O)OC(C)(C)C)cc1,QNFQTRWNLUGMNA-UHFFFAOYSA-N
-rxn:4:191088:223930,Cc1cc2c(cnn2C(=O)OC(C)(C)C)cc1-c1ccc2c(c1)C(C)(C)CCN2C(=O)OC(C)(C)C,FANZRXPCEHACCD-UHFFFAOYSA-N
-rxn:4:191091:222971,CC(C)(C)OC(=O)N1Cc2c(-c3ccc(NC(=O)C(C)(C)C)cc3)cccc2C(C)(C)C1,ZTURIQOUSMOXTI-UHFFFAOYSA-N
-rxn:4:191124:222789,CC(C)(C)OC(=O)Nc1ccc(F)cc1-c1ccc2c(c1)C1(CC2)CCN(C(=O)OC(C)(C)C)CC1,IQDWENOLMVWRFF-UHFFFAOYSA-N
-rxn:4:191124:227001,CC(C)(C)OC(=O)N1CCC2(CCc3ccc(-c4cccc(SCC5CC5)c4)cc32)CC1,HTDJNYHNDJECJH-UHFFFAOYSA-N
-rxn:4:191125:223482,CC(C)(C)OC(=O)N1CCC2(CCc3cc(-c4ccc(OC(F)(F)F)c(S(=O)(=O)N5CCC6(CC5)OCCO6)c4)ccc32)CC1,FLVDZKQUMCKPLI-UHFFFAOYSA-N
-rxn:4:191172:224845,CC1=CC(C)(C)N2C(=O)C(=O)c3cc(OC(=O)c4ccc(-c5cc(C(C)(C)C)cc(C(C)(C)C)c5)cc4)cc1c32,WQSRALAWFPQVOX-UHFFFAOYSA-N
-rxn:4:191173:224847,CC1=CC(C)(C)N2C(=O)C(=O)c3cc(OC(=O)c4cccc(-c5cc(C(C)(C)C)ccc5C(C)(C)C)c4)cc1c32,MFFUADLSBVAMNJ-UHFFFAOYSA-N
-rxn:4:191195:222593,Cc1cccc(NS(=O)(=O)c2ccc(-c3cc4c(c5c3CCC5)N(C(=O)OC(C)(C)C)C(C)(C)C(=O)C4C)cc2)c1,ZJAYERQTEMEYCT-UHFFFAOYSA-N
-rxn:4:191388:223502,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2F)CC1,WVVNAZAUYRNFRZ-UHFFFAOYSA-N
-rxn:4:191580:223501,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3c(C(F)F)cccc3[N+](=O)[O-])cc2Cl)CC1,RZNSYWFDQCJONA-UHFFFAOYSA-N
-rxn:4:193132:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3cc(OC(C)(C)C)ncc3C)cc21,BKLSEVUZDLKWDY-UHFFFAOYSA-N
-rxn:4:193249:223530,CC(C)(C)OC(=O)N1CCN(Cc2ccc(F)cc2-c2ccc(C(=O)N3CCSCC3)c(F)c2)CC1,WPPVSSBKSOFGKC-UHFFFAOYSA-N
-rxn:4:193270:222598,Cc1cc(-c2cc(F)c(S(=O)(=O)N3CCCC3)cc2F)cc(C)c1S(=O)(=O)NC1CCCC1,PWHIQNWUIUBJFM-UHFFFAOYSA-N
-rxn:4:193285:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2cc(C(=O)N3CCOCC3)cc(F)c2F)cc1,XTBIXSYXVKDHRB-UHFFFAOYSA-N
-rxn:4:193385:224010,COc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1ccc(S(=O)(=O)N2CCOCC2)c(F)c1,HGOHSFTYLJOASD-UHFFFAOYSA-N
-rxn:4:193423:223530,CC(C)(C)OC(=O)N1CCN(Cc2ccc(F)cc2-c2ccccc2C(=O)N2CCCCC2)CC1,MAKFFNXOVJGDMU-UHFFFAOYSA-N
-rxn:4:193475:223790,CC(C)(C)OC(=O)N1CCCC1c1cncc(-c2ccc(F)cc2CN2CCC(=O)CC2)c1,IPNVZKGXMQALDE-UHFFFAOYSA-N
-rxn:4:193566:222604,COc1ccc(-c2ccc(S(=O)(=O)N3CCCC3)c(C)c2)cc1S(=O)(=O)NC1CCCC1,JKPQTCRZOMMXKR-UHFFFAOYSA-N
-rxn:4:193615:223904,Cc1cc(-c2cccc(C3CN(C(=O)OC(C)(C)C)C3)c2)cc(F)c1C(=O)N1CCOCC1,FSUOQOLWHVHMDI-UHFFFAOYSA-N
-rxn:4:193633:222801,Cc1ccc(-c2ccc(C)c(S(=O)(=O)N3CCC(F)(F)C3)c2)cc1S(=O)(=O)NC(C)(C)C,NFRHCRHEHVAAJG-UHFFFAOYSA-N
-rxn:4:193708:223590,Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1-c1ccc(-c2ccc(C=C3SC(=S)N(C)C3=O)o2)cc1,ZDOUAIARBSKQJS-UHFFFAOYSA-N
-rxn:4:193745:224010,COc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1cc(C2CC2)ccc1N1CCOCC1,QVCLEJBZMZUBGB-UHFFFAOYSA-N
-rxn:4:193751:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2ccc(Cl)cc2C(=O)N2CCCC(C)C2)cc1,BQDKEMXEQZWUDI-UHFFFAOYSA-N
-rxn:4:193772:223951,CC1CCCCN1C(=O)c1ccc(-c2ccc(OCCN3CCN(C)CC3)c(F)c2)c(F)c1,HYLYFKMNLBKANW-UHFFFAOYSA-N
-rxn:4:193816:223689,CCN1CCN(S(=O)(=O)c2cc(-c3cc(F)ccc3CN3CCC(C)CC3)ccc2OC)CC1,MEHBEWGFABLEKC-UHFFFAOYSA-N
-rxn:4:193846:224248,Cc1cc(-c2ccc(C(=O)N3CCC(C)CC3)c(Cl)c2)cc(C)c1S(=O)(=O)N1CCCC1,BZRAOIWTCWILBI-UHFFFAOYSA-N
-rxn:4:193909:226324,O=C1C(=Cc2ccc(-c3cccnc3OC3CCCC3)o2)SC(=S)N1C1CCCCC1,ROKJKQJKDITULW-UHFFFAOYSA-N
-rxn:4:193952:224317,CN1CCN(C(=O)c2ccc(-c3ccc(CN4CCC5(CC4)OCCO5)cc3)c(F)c2)CC1,QOZFBUHYSRJSRU-UHFFFAOYSA-N
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-rxn:4:206215:223813,O=C(c1ncc(Cl)cc1-c1ccc(CN2CCC3(CC2)OCCO3)c(F)c1)N1CCCC1,KSBJVDIMSSTYCK-UHFFFAOYSA-N
-rxn:4:206338:222465,O=[N+]([O-])c1ccc(N2CCCC2)c(-c2cc(C3CCCCC3)nc(C3CCCNC3)c2)c1,MIAFZRQPBQNHAF-UHFFFAOYSA-N
-rxn:4:206586:223784,CCN1CCN(CCOc2ccc(-c3ccc(N4CCOCC4)c(OC)n3)cc2F)CC1,CBVKIGJPSPWODK-UHFFFAOYSA-N
-rxn:4:206876:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3ccc(-c4csc(N5CCOCC5)n4)cc3)c2Cl)CC1,KIRABFRWKOIUQT-UHFFFAOYSA-N
-rxn:4:206929:223811,CN1CCN(Cc2ccc(F)cc2-c2ccc(CN3CCC4(CC3)OCCO4)c(Cl)c2)CC1,ISURIFMAKIXKMV-UHFFFAOYSA-N
-rxn:4:206944:224485,CC1CCN(S(=O)(=O)c2ccc(-c3ccn([Si](C(C)C)(C(C)C)C(C)C)c3)nc2)CC1,IMESNNMTXAVSRL-UHFFFAOYSA-N
-rxn:4:206999:222604,COc1ccc(-c2cnc(OC3CCN(C)CC3)c(C)c2)cc1S(=O)(=O)NC1CCCC1,ASUWBZUTVYHMHW-UHFFFAOYSA-N
-rxn:4:207005:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3ccc(-c4csc(N5CCCCC5)n4)cc3)c2Cl)CC1,ACCLBMULBDCFPM-UHFFFAOYSA-N
-rxn:4:207061:224322,CC1CCN(S(=O)(=O)c2ccc(-c3cccc(S(=O)(=O)N4CCCN(C)CC4)c3)cc2)CC1,NIHPOBOTJVLAFL-UHFFFAOYSA-N
-rxn:4:207081:225518,CCCCCOc1ncc(C)cc1-c1cncc(C(=O)N2CC3(COC(C)(C)OC3)C2)c1,MTKPSWCFOPIAQE-UHFFFAOYSA-N
-rxn:4:207086:222389,Cc1cc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)cc(C)c1S(=O)(=O)N1CCN(C)CC1,ONJMBBXSLQJYII-UHFFFAOYSA-N
-rxn:4:207464:223748,CCn1ncc(-c2cc(N3CCCCC3)cc(N3CCCCC3)c2)c1C12COC(C)C1O2,NWIITJFUCDDYCM-UHFFFAOYSA-N
-rxn:4:207602:223480,CC(=O)c1sc2nc(-c3ccc(-c4cc(C)c(S(=O)(=O)N5CCN(C(=O)OC(C)(C)C)CC5)c(C)c4)cc3)cn2c1C,ZALCBCHTQQSSPX-UHFFFAOYSA-N
-rxn:4:207736:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1ccc(OC2CC3CCC(C2)N3C)nc1,XGZWZXNGCGHIBX-UHFFFAOYSA-N
-rxn:4:207765:224127,CCN1CCN(C(C)c2ccc(-c3c(C(F)(F)F)c(C)cc4c3cnn4C3CCCCO3)cc2)CC1,QMJRJFDPWQITBM-UHFFFAOYSA-N
-rxn:4:207779:222923,Cc1ccc(-c2ccc(S(=O)(=O)N3CCN4CCC3CC4)cc2)cc1S(=O)(=O)NC1CC1,PEVSXUCGRHFZHH-UHFFFAOYSA-N
-rxn:4:207830:224582,CN1C(=O)C(=C2SC(=O)N(Cc3ccccc3)C2=O)c2cc(-c3cccc(N4CCN(C5CC5)CC4)c3)ccc21,HAEOBPHACKYCAT-UHFFFAOYSA-N
-rxn:4:207851:224769,Cc1cccc(N2C(=O)N(c3ccc(-c4ccc(N5CCCC5)cc4C(F)(F)F)cc3)C3CS(=O)(=O)CC32)c1,DGWWPMIQGXDAIY-UHFFFAOYSA-N
-rxn:4:207854:225634,Cc1cc(-c2ccc3c(c2)CCN3C2CCN(C3CCC3)CC2)cnc1N1CCCCC1,CDOCGQUNPXYKDD-UHFFFAOYSA-N
-rxn:4:207890:222839,Cc1c(-c2ccc(NCC3CCCCC3)nc2)cnn1CC12CC3CC(CC(C3)C1)C2,NXJTUGPLRTYRNY-UHFFFAOYSA-N
-rxn:4:209216:223595,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(N4CCOCC4)s3)cc2F)CC1,RPMPJYVUQKFUJX-UHFFFAOYSA-N
-rxn:4:209221:223492,Cc1cc(-c2ccnc(N3CCSC3)c2)ccc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,JRULSITVQYKZNW-UHFFFAOYSA-N
-rxn:4:209639:223670,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2cnc(N3CCOCC3)c(F)c2)CC1,DOUNWWHPASGMMV-UHFFFAOYSA-N
-rxn:4:209765:223522,CC1=NN(c2ccc(-c3cc(F)cc(N4CCC(O[Si](C)(C)C(C)(C)C)CC4)c3)cc2)C(=O)CC1,RBYZKGGTCBXWNU-UHFFFAOYSA-N
-rxn:4:210072:223497,CC(c1ccc(-c2ccnc3[nH]c(C(F)(F)F)cc23)cc1)N1CCC(O[Si](C)(C)C(C)(C)C)CC1,BEPJKCDRLBBKBM-UHFFFAOYSA-N
-rxn:4:210935:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cccc4sc(N5CCCCC5)nc34)c2Cl)CC1,QDVYACSSDCKCFN-UHFFFAOYSA-N
-rxn:4:210974:222466,c1cnc(N2CC3CCCC3C2)c(-c2cc(C3CCCCC3)nc(C3CCNCC3)c2)c1,SUEAVFIUSNXYRH-UHFFFAOYSA-N
-rxn:4:211042:224884,CC1CCN(Cc2cccc(-c3cccc4c3CN(C3CCC(=O)N(C)C3=O)C4=O)c2)CC1,BGHXVVDLTZIADS-UHFFFAOYSA-N
-rxn:4:211073:222639,C[C@H](NC(=O)OC(C)(C)C)c1ccc(-c2ccc3c(c2)N2CCCCC2=C(C#N)S3(=O)=O)cc1,ARMPJTIKPDRESM-KRWDZBQOSA-N
-rxn:4:211099:222537,Cc1ccc(C2=NN3C(C2)c2cc(-c4cc(C5CCCC5)nc(C5CCCNC5)c4)ccc2OC32CCCC2)cc1,GWTLBUNPEJGZOB-UHFFFAOYSA-N
-rxn:4:211101:223712,COc1ccc(-c2ccc3c(c2)C2CC(c4ccc(C)cc4)=NN2C2(CCC(C)CC2)O3)cc1C12CC3CC(CC(C3)C1)C2,OCCVFSZFANBBIG-UHFFFAOYSA-N
-rxn:4:211101:226382,Cc1ccc(C2=NN3C(C2)c2cc(-c4cnc(C5CCCCC5)nc4)ccc2OC32CCC(C)CC2)cc1,GKCRRLZWPPLYED-UHFFFAOYSA-N
-rxn:4:212523:224741,COc1cc(C2OCCO2)cc(OC)c1-c1ccc(C(=O)N2CCN=C2SCc2ccc([N+](=O)[O-])cc2)o1,AYBQXPRJMHPMPL-UHFFFAOYSA-N
-rxn:4:212561:222846,N#Cc1ccc(C2CCCNC2)cc1-c1cccc(C(=O)N2CCN=C2SCc2ccc([N+](=O)[O-])cc2)c1,RJZHHRMYLMTDQW-UHFFFAOYSA-N
-rxn:4:212562:224258,CC1CCCCN1C(=O)c1ccc(-c2ccc(C(=O)N3CCN=C3SCc3ccc([N+](=O)[O-])cc3)cc2)c(Cl)c1,NMRBIAZLSGHKEA-UHFFFAOYSA-N
-rxn:4:212581:222988,Cc1cc(-c2ccc(CSC3=NCCN3S(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc(C2CCNCC2)n1,KVVRZKAALZXQOC-UHFFFAOYSA-N
-rxn:4:212584:224279,CC(C)N(Cc1nn(C)cc1-c1ccc2c(c1)ncn2C(=O)OC(C)(C)C)C(=O)OC(C)(C)C,ZHWTXWYGWBFZHE-UHFFFAOYSA-N
-rxn:4:212593:223288,CNS(=O)(=O)c1cccc(-c2ccc(C(=O)N(C)C3CN(C(=O)OC(C)(C)C)C3)cn2)c1,GOCZFZGNLDVNET-UHFFFAOYSA-N
-rxn:4:212595:225345,COc1ccc(S(=O)(=O)N(C)C)cc1-c1ccc(-c2ccc(C(=S)N3CCN(CCC#N)CC3)o2)cc1,UQSWPEUKAQRCNL-UHFFFAOYSA-N
-rxn:4:212606:223049,CC(C)CC(=O)N1CCCC(COc2ncc(-c3ccc(C(=O)NC4CC4)cc3F)cn2)C1,NNBUUHSMIRYJBC-UHFFFAOYSA-N
-rxn:4:212637:225906,CON(C)C(=O)c1cc(F)cc(-c2ccc(C(=O)N(C)C3CCN(C(=O)OC(C)(C)C)C3)cn2)c1,QHVGMZPRFRRMRS-UHFFFAOYSA-N
-rxn:4:212639:223888,CC(C)(C)OC(=O)N1CCN(C(=O)Cc2cncc(-c3ccc4c(c3)N(C(=O)OC(C)(C)C)CCC4)c2)CC1,YYXFFAAZARJSOH-UHFFFAOYSA-N
-rxn:4:212667:225190,COc1ccc(S(=O)(=O)N2CCCC(COc3ncc(-c4ccc(N5CCOCC5)cc4OC)cn3)C2)cc1,FKZNEMRPQBCAHN-UHFFFAOYSA-N
-rxn:4:212673:223493,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1cnc(OC2CCN(C(=O)c3ccccc3Oc3ccccc3)C2)nc1,CIFFUVKWMMYNQP-UHFFFAOYSA-N
-rxn:4:212685:222702,COC(=O)c1ccc(N2CCN(S(=O)(=O)c3ccc(-c4cc(C5CCCNC5)ccc4C(F)(F)F)cc3)CC2)c([N+](=O)[O-])c1,OOKWZCITRIJVDI-UHFFFAOYSA-N
-rxn:4:212701:223900,CC(C)(C)[Si](C)(C)OCCc1ccc(-c2ccc(-c3cnc(SCC(=O)N4CCN(c5ccccc5F)CC4)o3)cc2)cc1F,VVLOMTGNFJNHMT-UHFFFAOYSA-N
-rxn:4:212722:223671,Cc1ccc(S(=O)(=O)N(Cc2ccc(-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)cc2)C(=O)N2CCN(C)CC2)cc1,LMDQXEDUKUHTIH-UHFFFAOYSA-N
-rxn:4:212729:225227,COc1ccc(-c2noc(C3CCCN(S(=O)(=O)c4ccc(-c5cnc(N6CCC(C)CC6)c(Cl)c5)cc4)C3)n2)cc1OC,ORPJPCJFGSDNKI-UHFFFAOYSA-N
-rxn:4:212736:223140,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccnc(C4CCCNC4)c3)cc2N2CCCC2)CC1,BCNAYHJQTGRRIL-UHFFFAOYSA-N
-rxn:4:212736:226803,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cnn(-c4ccnc(Cl)c4)c3)cc2N2CCCC2)CC1,CSMTYAHQVICEGH-UHFFFAOYSA-N
-rxn:4:212736:226804,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cnn(-c4ccnc(F)c4)c3)cc2N2CCCC2)CC1,NCXHZERJKCLMGH-UHFFFAOYSA-N
-rxn:4:212736:226821,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc(-c4cscn4)nc3F)cc2N2CCCC2)CC1,VVIARFUEZSBOSB-UHFFFAOYSA-N
-rxn:4:212736:226822,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cnc(-c4cccs4)nc3Cl)cc2N2CCCC2)CC1,GVJUTRVXLFFEHJ-UHFFFAOYSA-N
-rxn:4:212737:226803,CC(C)(C)OC(=O)N1CCN(c2cc(CN3CCOCC3)cc(-c3cnn(-c4ccnc(Cl)c4)c3)c2)CC1,QLFWBWCRYBAUTR-UHFFFAOYSA-N
-rxn:4:212739:226803,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cnn(-c4ccnc(Cl)c4)c3)cc2N2CCCCC2)CC1,MQCBEIPIQUCIDE-UHFFFAOYSA-N
-rxn:4:212739:226804,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cnn(-c4ccnc(F)c4)c3)cc2N2CCCCC2)CC1,JQRKAPYNXIUYHL-UHFFFAOYSA-N
-rxn:4:212768:222913,CCOC(=O)c1nc(-c2ccc(CNS(=O)(=O)C3CC3)cc2)n2c1CN(C(=O)OC(C)(C)C)CC2,PLLCCBGGDKEHOR-UHFFFAOYSA-N
-rxn:4:212797:223838,CN(C)S(=O)(=O)N1CCN(c2ccc(-c3ccc4c(c3)sc(=NC(=O)CSCC(=O)N3CCc5ccccc53)n4C)cc2)CC1,FSSRRJAYMJNVIK-UHFFFAOYSA-N
-rxn:4:212814:224902,COc1cc(-c2c3c(nn2C(=O)OC(C)(C)C)C(C)(C)N(C(=O)OC(C)(C)C)C3)ccc1-c1ccccc1,RBFSOGUIHOAFKO-UHFFFAOYSA-N
-rxn:4:212814:228571,CN(C)c1ccc(-c2c3c(nn2C(=O)OC(C)(C)C)C(C)(C)N(C(=O)OC(C)(C)C)C3)cc1,UCXUBHZMMPNQTI-UHFFFAOYSA-N
-rxn:4:212814:228601,CC(=O)c1ccccc1-c1c2c(nn1C(=O)OC(C)(C)C)C(C)(C)N(C(=O)OC(C)(C)C)C2,UNBHLBCTQOPJRK-UHFFFAOYSA-N
-rxn:4:212814:229091,CC(=O)c1occc1-c1c2c(nn1C(=O)OC(C)(C)C)C(C)(C)N(C(=O)OC(C)(C)C)C2,JQSKKDXJLBLMLC-UHFFFAOYSA-N
-rxn:4:212830:223005,CN(C(=O)c1cc2cc(-c3ccc(C4CCNCC4)c(Cl)c3)ccc2[nH]1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1,CJVCHNRGSXEENL-XMMPIXPASA-N
-rxn:4:212888:222545,CN(Cc1ncc(-c2ccc(C(C)(C)NC(=O)OC(C)(C)C)cc2)cn1)C(=O)OC(C)(C)C,BNMNDHKXPCZJLU-UHFFFAOYSA-N
-rxn:4:212903:224566,COC(=O)C1(c2ccc(-c3cnn(C)c3CN(C)C(=O)OC(C)(C)C)cc2)CCCC1,VJKKMXSKJHUVCE-UHFFFAOYSA-N
-rxn:4:212917:224325,COC(=O)CN1CCC(Cn2cc(-c3ccc(C4=CCN(S(C)(=O)=O)CC4)cc3)cn2)CC1,BRISCGRTQIBHKX-UHFFFAOYSA-N
-rxn:4:212938:225286,CCC(=O)N1CCCC(COc2ncc(-c3cc(F)ncc3C(=O)OC(C)(C)C)cn2)C1,MZLDDDDSEYNEPL-UHFFFAOYSA-N
-rxn:4:212970:223776,Cc1nc(OC2CN(C(=O)OC(C)(C)C)C2)ncc1-c1ccc2c(c1)CN(C(=O)OC(C)(C)C)CCO2,OTDBRMLWGLOUNV-UHFFFAOYSA-N
-rxn:4:212984:223754,CC1CCN(CCCOc2ccc(-c3cnccc3OC3CCN(C(=O)c4ccc(C(F)(F)F)nc4)C3)cc2Cl)CC1,KVGDLBOPFBEYDP-UHFFFAOYSA-N
-rxn:4:212989:225709,CN(C)CCCOc1ccc(-c2ncc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)s2)cn1,AATITTDZOKLFKQ-UHFFFAOYSA-N
-rxn:4:213044:225218,CC1CCCN(c2ncc(-c3cnc(OC4CCN(C(=O)OC(C)(C)C)CC4)nc3)cc2Cl)C1,GMGPAWRSHOCWEP-UHFFFAOYSA-N
-rxn:4:213053:223028,CCCNC(=O)c1ccc(F)c(-c2cnc(OCC3CCCN(C(=O)C4CC(F)(F)C4)C3)nc2)c1,FZHMZBCRCFYEBH-UHFFFAOYSA-N
-rxn:4:213097:223675,CC(C)(C)OC(=O)N1CCC(C#N)(c2ccc(-c3cc(OCc4ccccc4)c(C(F)(F)F)cc3Cl)cn2)CC1,UVZKYQCVFXFCHH-UHFFFAOYSA-N
-rxn:4:213123:222814,CC(C)(C)OC(=O)Nc1nccc(-c2ccccc2CC(=O)N2CCN(c3ccnc(C(F)(F)F)c3)C(=O)C2)c1F,LHUWBZBVSBWMNF-UHFFFAOYSA-N
-rxn:4:213123:223153,CCNC(=O)c1cc(-c2ccccc2CC(=O)N2CCN(c3ccnc(C(F)(F)F)c3)C(=O)C2)ccc1Cl,ZZEJXYNGLUCKTA-UHFFFAOYSA-N
-rxn:4:213123:226563,COC(=O)Cc1ccc(-c2ccccc2CC(=O)N2CCN(c3ccnc(C(F)(F)F)c3)C(=O)C2)cc1F,KQXODQAXMWWOKW-UHFFFAOYSA-N
-rxn:4:213125:225977,CC(C)(C)OC(=O)N1CCN(Cc2cccc(-c3cc(Cl)cnc3N3CCOCC3)n2)CC1,ONCOGYIHJIJUQG-UHFFFAOYSA-N
-rxn:4:213126:222812,CC(C)(C)OC(=O)Nc1cc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)cn2)cnc1Cl,QWJZVPFAIBVMDP-UHFFFAOYSA-N
-rxn:4:213126:226511,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cc(Cl)cnc3OCC3CC3)nc2)CC1,IFVFHVDTTVYABF-UHFFFAOYSA-N
-rxn:4:213131:225975,CC(C)(C)C(=O)N1CCC(COc2ncc(-c3ccnc(N4CCOCC4)c3Cl)cn2)CC1,ZRCDJWSGFQVCDT-UHFFFAOYSA-N
-rxn:4:213135:226231,CCCCOc1ncc(-c2cnc(OC3CCN(C(=O)CC(C)(C)C)CC3)nc2)cc1C,IMNPMMFAXAZKRJ-UHFFFAOYSA-N
-rxn:4:213136:224874,c1cc(COC2CCCCC2)cc(-c2cnc(OCC3CCCN(CC4CCCO4)C3)nc2)c1,LZJRAMIBHPGWAU-UHFFFAOYSA-N
-rxn:4:213138:227376,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3cncc(N4CCCC4)c3)cnc2F)CC1,SSKJFYPHBWYJNE-UHFFFAOYSA-N
-rxn:4:213174:222708,Cc1ccc(OCC2CCN(C(=O)c3ccc(-c4ccc(S(=O)(=O)NC(=O)CC(C)C)cc4)cc3)CC2)nn1,DHFUEOOLGTWFCI-UHFFFAOYSA-N
-rxn:4:213202:222849,Cc1ccc(OCC2CCN(S(=O)(=O)c3ccccc3-c3ccc(C4CCNCC4)c(C#N)c3)CC2)nn1,QLLJMXCSEKLJQQ-UHFFFAOYSA-N
-rxn:4:213202:225215,Cc1ccc(OCC2CCN(S(=O)(=O)c3ccccc3-c3ccnc(N4CCC(C)CC4)c3Cl)CC2)nn1,XMHKYFJSIBTUFV-UHFFFAOYSA-N
-rxn:4:213222:225226,CC1CCN(c2cc(-c3ccc(C(=O)N4CCN(Cc5nc(C(C)(C)C)cs5)CC4)o3)c(F)cn2)CC1,UUOGYFFTMIMZBY-UHFFFAOYSA-N
-rxn:4:213225:223809,CC(C)(C)OC(=O)N1CCC[C@H]1c1ncc(-c2ccc(-c3cc(N4CCOCC4)cc(N4CCOCC4)c3)cc2)[nH]1,ZEMMVPACLKFCJQ-LJAQVGFWSA-N
-rxn:4:213226:222819,CC(C)(C)OC(=O)N1CCC[C@H]1c1ncc(-c2cccc(-c3ccc(NC(=O)N4CCOCC4)nc3)c2)[nH]1,QFTSAUQTLPFFLO-QHCPKHFHSA-N
-rxn:4:213248:224125,COc1ccc(-c2ccc(CN3CCN(C4CC4)CC3)cc2)c(C(=O)N2CCC(c3nnc(C(C)C)o3)CC2)c1,XIBLFAUXKBXOTH-UHFFFAOYSA-N
-rxn:4:213265:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1ccc(C(=O)N2CCC(N3CCC(Oc4nccs4)CC3)CC2)o1,ZVTTYDONFCETHP-UHFFFAOYSA-N
-rxn:4:213289:224621,CC(C)(C)OC(=O)N1CCC(c2nc(C(C)(C)C)ncc2-c2ccc(OCCN3CCSCC3)cc2)CC1,SBWKQDNGHFBODG-UHFFFAOYSA-N
-rxn:4:213292:222827,O=C1CC(N2CCN(CC=Cc3ccccc3)CC2)C(=O)N1c1ccc(-c2cc(F)c(S(=O)(=O)NC3CC3)cc2F)cc1,FHMJCEFSWPXWJD-UHFFFAOYSA-N
-rxn:4:213320:223139,COC(=O)c1nc(-c2ccc(C3CCNCC3)nc2)n2c1CN(C(=O)OC(C)(C)C)CC2,OOUXNAVAFXEPNK-UHFFFAOYSA-N
-rxn:4:213387:223948,COC(=O)c1cc(C(=O)OC(C)(C)C)cc(-c2ccc3c(c2)ncn3CC2CCN(C(=O)OC(C)(C)C)CC2)c1,FNUQUUYAEGSVSW-UHFFFAOYSA-N
-rxn:4:213387:224720,CC(C)(C)OC(=O)N1CCC(Cn2cnc3cc(-c4cn(C(=O)OC(C)(C)C)nc4C4CC4)ccc32)CC1,YKHGVVPAKZMBHY-UHFFFAOYSA-N
-rxn:4:213412:227937,CC(C)CS(=O)(=O)C1CCN(C(=O)c2c3ccc(-c4cccc(SC(C)C)c4)cc3nn2C)CC1,MDCCRXUCRIPEEJ-UHFFFAOYSA-N
-rxn:4:213480:226498,CCN(CC)c1ncc(-c2cncc(C(=O)OC[C@H]3CN(C)[C@@H]4Cc5c[nH]c6cccc(c56)[C@@]4(OC)C3)c2)cc1Cl,IUSSOYCMWBYCKP-UCKIBBKRSA-N
-rxn:4:213581:223595,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(OCCN4CCOCC4)nc3)cc2F)CC1,JQGFCFPIFVQTAF-UHFFFAOYSA-N
-rxn:4:213617:223898,CC(C)N(C(=O)OC(C)(C)C)c1ccc(-c2ccc(C(=O)N3CCC(Oc4nncs4)CC3)o2)cc1,XTVUHVWCJYYALS-UHFFFAOYSA-N
-rxn:4:213721:224740,CN(C(C)(C)C)S(=O)(=O)c1cccc(-c2ccn(C3CCN(C(=O)OC(C)(C)C)C3)n2)c1,VEPLICVEVSGKIZ-UHFFFAOYSA-N
-rxn:4:213758:224917,Cc1cc(N2CCC(C)CC2)ccc1-c1cnc(CCC2CCCCN2S(C)(=O)=O)cn1,VBBLIEMZBMXSLL-UHFFFAOYSA-N
-rxn:4:213766:225977,CC(C)(C)OC(=O)N1CCN(c2nc(-c3cc(Cl)cnc3N3CCOCC3)co2)CC1,CHEUDVFPMJUQGC-UHFFFAOYSA-N
-rxn:4:213799:225882,CC(C)(C)OC(=O)N1CCOC(c2cc(-c3cnc(Cl)c(C4CCOCC4)c3)ncn2)C1,VPYJRICZCONBBF-UHFFFAOYSA-N
-rxn:4:213805:222546,CC(C)(C)OC(=O)N1CCOC(c2ncc(-c3ccc(OCCNC4CCCCC4)c(F)c3)cn2)C1,ONXPLKQMHNBENP-UHFFFAOYSA-N
-rxn:4:213805:223940,CC(C)(C)OC(=O)N1CCOC(c2ncc(-c3ccc4c(c3)OCCN4C(=O)OC(C)(C)C)cn2)C1,CQRLKAVKYIBKLB-UHFFFAOYSA-N
-rxn:4:213806:222541,O=C(NCCN1CCCCC1)c1ccc(-c2ccc(-c3ccc(=O)n(CC(=O)N4CCCC4)n3)cc2)cc1,MYVLYMHFTPYOQJ-UHFFFAOYSA-N
-rxn:4:213843:225734,CCCCOc1cc(-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3=O)c2)cc(Cl)c1F,XJIPNAYDKQVCPW-UHFFFAOYSA-N
-rxn:4:213858:222684,O=C(Cn1nc(-c2ccc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)cc2)ccc1=O)N1CCSCC1,AFOZVPIUDYQMKJ-UHFFFAOYSA-N
-rxn:4:213872:222853,OC1CCN(Cc2ccc(-c3cnn(CC4CN(CC5CCCCC5)C4)c3)cc2)CC1,YJXINTQEWBTKBA-UHFFFAOYSA-N
-rxn:4:213875:224408,CC(C)(C)OC(=O)N1CCN(c2cccc(-c3cc(C(F)(F)F)nn3C(=O)OC(C)(C)C)n2)CC1,UEJVDXGTTZEVJY-UHFFFAOYSA-N
-rxn:4:213887:225984,CC(C)(C)OC(=O)N1CCC(c2cnc(-c3cnc(Cl)c(N4CCOCC4)c3)nc2)CC1,RFGQTFKWZAWYCE-UHFFFAOYSA-N
-rxn:4:213898:222546,CC(C)(C)C(=O)N1CCC(Oc2ncc(-c3ccc(OCCNC4CCCCC4)c(F)c3)cn2)CC1,IYCURKRVDXUWGS-UHFFFAOYSA-N
-rxn:4:213902:226663,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3ccc(N4CCSCC4)nc3)cc2F)CC1,SAGFUMNLOBWFMZ-UHFFFAOYSA-N
-rxn:4:213928:223970,Cc1nccc(OC2CCCN(C(=O)c3ccccc3-c3ccc(C)c(S(=O)(=O)N4CCC(C)CC4)c3)C2)n1,QCBNAMYPMOWNIY-UHFFFAOYSA-N
-rxn:4:213932:226236,CCCCOc1ncc(C)cc1-c1cnc(N2CCOC(C(=O)N3CCCC3)C2)c(C(F)(F)F)c1,URCAPXPWZYRWBA-UHFFFAOYSA-N
-rxn:4:213942:224712,CC(=O)OC(OC(C)=O)c1ccc(-c2cn(C3CCN(C(=O)OC(C)(C)C)CC3)nc2C)cc1,KFFKANMBYZFUFJ-UHFFFAOYSA-N
-rxn:4:213969:222406,CCNC(=S)Nc1cccc(-c2ccc(C(=O)N3CCC(N4CC(=O)N(C5CC5)C4=O)CC3)o2)c1,QEDSSTIHOKKKAT-UHFFFAOYSA-N
-rxn:4:213990:224274,Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1-c1cc2cnccc2n1C(=O)OC(C)(C)C,LKEQHNJWILLRJK-UHFFFAOYSA-N
-rxn:4:213999:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2cnc(C3CCN(C(=O)OC(C)(C)C)CC3C)nc2)cc1,INIPWTFWMFHEHV-UHFFFAOYSA-N
-rxn:4:214012:222624,CC(C)Cc1cc(-c2ccccc2S(=O)(=O)N2CCC(S(=O)(=O)c3nccn3C)CC2)cc(C2CCNCC2)n1,NODPXOMFPJACTD-UHFFFAOYSA-N
-rxn:4:214012:225859,Cn1ccnc1S(=O)(=O)C1CCN(S(=O)(=O)c2ccccc2-c2cnc(N3CCCCC3)c(Cl)c2)CC1,MPQBMLZLYWDQTL-UHFFFAOYSA-N
-rxn:4:214018:225361,CC(=O)N1N=C(c2ccc(-c3cn(C4CCCC4)nc3C(F)(F)F)cc2)CC1c1ccc(N(C)C)cc1,FRAWJSJTIFHMJT-UHFFFAOYSA-N
-rxn:4:214036:225306,COc1cc(F)c([Si](C)(C)C)c(F)c1-c1ccc(C2=NN(S(C)(=O)=O)C(c3ccc(N(C)C)cc3)C2)cc1,KNHJMBLMVHPSFO-UHFFFAOYSA-N
-rxn:4:214042:224153,O=C(c1ccc(-c2cc(N3CCCC3)cc(N3CCCC3)c2)o1)N1CCC(N2CC(=O)N(c3ccccc3)C2=O)CC1,YYNJWLNVQDFQBA-UHFFFAOYSA-N
-rxn:4:214059:223594,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)cc(-c3ccc(N4CCC5(CC4)CN(C(=O)OC(C)(C)C)C5)nc3)c2)CC1,JYFHZMQKFBIMGJ-UHFFFAOYSA-N
-rxn:4:214064:222944,CS(=O)(=O)N1CCN(Cc2ccc(-c3ccc(S(=O)(=O)NC4CC4)cc3F)cc2N2CCOCC2)CC1,ZOOIHIVHLRWIEA-UHFFFAOYSA-N
-rxn:4:214069:222702,Cc1ccc(S(=O)(=O)N2CCCC(c3nc(-c4ccc(-c5cc(C6CCCNC6)ccc5C(F)(F)F)cc4)no3)C2)cc1,QRRINHZCJRWUJT-UHFFFAOYSA-N
-rxn:4:214125:223507,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccccc2-c2nn(C(=O)OC(C)(C)C)c3ccc([N+](=O)[O-])cc23)CC1,PSJVBXKSAHRMCP-UHFFFAOYSA-N
-rxn:4:214180:224161,CC(C)(C)OC(=O)N1Cc2ccc(-c3ccc4cc(C5CN(C(=O)OC(C)(C)C)C5)nn4c3)cc2C1,XPAKASMOWPCGSR-UHFFFAOYSA-N
-rxn:4:214212:223954,O=C1CCN(CCOc2ccc(-c3ccc(C(=O)N4CCN(C(=O)c5cc6ccccc6[nH]5)CC4)o3)cc2F)CC1,RINKNVWKWIYFSO-UHFFFAOYSA-N
-rxn:4:214275:222912,CC(C)CNS(=O)(=O)c1ccc(-c2ccc3[nH]nc(C4CCN(C(=O)OC(C)(C)C)CC4)c3c2)cc1,GUFNQPPMPYEDPN-UHFFFAOYSA-N
-rxn:4:214276:225906,CON(C)C(=O)c1cc(F)cc(-c2cnc3[nH]c(C4CCN(C(=O)OC(C)(C)C)CC4)cc3c2)c1,AOKXZYQETHPDEV-UHFFFAOYSA-N
-rxn:4:214323:226247,CCOc1ccc(-c2ccc3ccn(CC(=O)N4CCN(C5CCS(=O)(=O)C5)CC4)c3c2)c(OCC)c1,GRMGVCOCQIIGRX-UHFFFAOYSA-N
-rxn:4:214384:224323,Cc1cc(-c2cnc(OC3CCCN(C(=O)C45CC6CC(CC(C6)C4)C5)C3)nc2)cc(C)c1S(=O)(=O)N1CCCC1,HRLZBVWXCYUEJU-UHFFFAOYSA-N
-rxn:4:214390:222948,CCOc1ccc(C2=NN3C(C2)c2cc(-c4cnc(N5CCC(O)CC5)nc4Cl)ccc2OC32CCN(C(C)=O)CC2)cc1,IYYJDMTYPPKOSB-UHFFFAOYSA-N
-rxn:4:214630:224321,CC1CCN(S(=O)(=O)c2cccc(-c3c(C4CC4)n[nH]c3C(=O)N3CCOCC3)c2)CC1,QIINUBULRWKRTK-UHFFFAOYSA-N
-rxn:4:214710:224009,CCN1CCN(S(=O)(=O)c2cncc(-c3ccc(OC)c(S(=O)(=O)N4CCOCC4)c3)c2)CC1,WOOIZMUYMMUXHJ-UHFFFAOYSA-N
-rxn:4:214731:222468,CC(C)(C)OC(=O)Nc1ccc2cc(-c3cccnc3N3CCN(S(=O)(=O)C4CC4)CC3)ccc2c1,BFBRWJRPPYKGTF-UHFFFAOYSA-N
-rxn:4:214743:223815,CN(C)C1CCN(c2cccc(-c3ccc(Cl)c(CN4CCC5(CC4)OCCO5)c3)c2C#N)CC1,WIXONVLGPCKYEI-UHFFFAOYSA-N
-rxn:4:214796:223576,CC(C)(C)OC(=O)N1CCC(Oc2cccc(-c3ccnc(N4CCN(Cc5ccccc5)CC4)c3)c2)CC1,ABORKCOKAQOLET-UHFFFAOYSA-N
-rxn:4:214818:225531,CCN(CC)Cc1cc(F)ccc1-c1cnc(N2CCN(C(=O)C3CCCO3)CC2)c(Cl)c1,CZZUCBXQBUKYHT-UHFFFAOYSA-N
-rxn:4:214829:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cccnc3N3CCOC(C(=O)N4CCSCC4)C3)c2Cl)CC1,ANFHBRNIAMPHKT-UHFFFAOYSA-N
-rxn:4:214835:226236,CCCCOc1ncc(C)cc1-c1cc(Cl)cnc1N1CCOC(C(=O)N2CCOCC2)C1,NXBORPVKPDMTAQ-UHFFFAOYSA-N
-rxn:4:214835:227213,CCCCSc1cncc(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCOCC3)C2)c1,IVRWGKYCGMZYRI-UHFFFAOYSA-N
-rxn:4:214880:226255,CCCCOc1ccc(Cl)cc1-c1cnc(N2CCOC(C(=O)N3CCOCC3)C2)c(C)c1,DOADGPMLOQNEBA-UHFFFAOYSA-N
-rxn:4:215063:223898,CC(C)N(C(=O)OC(C)(C)C)c1ccc(-c2cn3c(n2)CN(C(=O)OC(C)(C)C)CC3)cc1,TZZLLXHUVVDDFV-UHFFFAOYSA-N
-rxn:4:215068:224167,CN(Cc1ccc(-c2cc3n(n2)CCCN3C(=O)OC(C)(C)C)cc1)C(=O)OC(C)(C)C,VBNUVOKOKLQYCW-UHFFFAOYSA-N
-rxn:4:215099:224733,C[C@@H]1Cn2ncc(-c3ccc(OC(F)F)c(OC4CCC4)c3)c2CN1C(=O)OC(C)(C)C,VNFSDVWSJMTQGB-CQSZACIVSA-N
-rxn:4:215104:222919,CC(C)(C)NS(=O)(=O)c1ccc(-c2ncn3c2CCN(C(=O)OC(C)(C)C)CC3)cc1,RBOAQFGGBAGARM-UHFFFAOYSA-N
-rxn:4:215108:222902,COC(=O)CNC(=O)c1cccc(-c2c3c(nn2C)CN(C(=O)OC(C)(C)C)CC3)c1,NFOINQFCHPCDEN-UHFFFAOYSA-N
-rxn:4:215108:222945,CC(C)NS(=O)(=O)c1ccc(-c2c3c(nn2C)CN(C(=O)OC(C)(C)C)CC3)cc1F,PCPLGXWHQGDYMP-UHFFFAOYSA-N
-rxn:4:215146:224431,Cc1cccc(CN(C(C)C)C(C)C)c1-c1cc(-n2nc(C(F)(F)F)c3c2CC(C)(C)CC3=O)ccc1C#N,JRSFVKZDYWSHOV-UHFFFAOYSA-N
-rxn:4:215170:228096,O=C(c1cncc(-c2ccc(OCCF)cc2)c1)N1CC(N2C(=O)C3CC=CCC3C2=O)C1,FFMIDMNPWIUVOV-UHFFFAOYSA-N
-rxn:4:215184:222817,COc1ccc(S(=O)(=O)NC2CC2)cc1-c1ccccc1S(=O)(=O)N1C2CCC1CC(n1cccn1)C2,VJFJGNGZQPJFSB-UHFFFAOYSA-N
-rxn:4:215188:222524,O=C1N(c2ccc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCC(O)CC3)cc2)C2CS(=O)(=O)CC2N1c1ccc([N+](=O)[O-])cc1,CFQYQCUKNAZVSG-UHFFFAOYSA-N
-rxn:4:215830:223520,CC(c1ccc(-c2c(C(=O)N3CCC(F)(F)CC3)cnn2C)cc1)N1CCN(C(=O)OC(C)(C)C)CC1,PKPQFDYZEZKICL-UHFFFAOYSA-N
-rxn:4:215900:224405,CN1CCN(S(=O)(=O)c2ccc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCCC3)nc2)CC1,NOJZEIVNCAWQCZ-UHFFFAOYSA-N
-rxn:4:215904:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3ccc(N4CCN(S(C)(=O)=O)CC4)nc3)cc2)CC1,LNMWVTVDJUIQOB-UHFFFAOYSA-N
-rxn:4:215906:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3cncc(S(=O)(=O)N4CCN(C)CC4)c3)cc2)CC1,ZHEJVVGHPOLPLV-UHFFFAOYSA-N
-rxn:4:217026:223526,CN1CC(c2cnc(-c3ccc(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)cc3)cn2)C1,LISIKYJHOHALJH-UHFFFAOYSA-N
-rxn:4:217083:223595,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(N4CCSCC4)nc3)cc2F)CC1,ZIYQJCTXYGMVMO-UHFFFAOYSA-N
-rxn:4:217792:223593,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3csc4c(N5CCOCC5)nc(Cl)nc34)cc2Cl)CC1,MNAZMRPABOVUCG-UHFFFAOYSA-N
-rxn:4:217792:223595,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3csc4c(N5CCOCC5)nc(Cl)nc34)cc2F)CC1,GBYHJPWWLFTKSE-UHFFFAOYSA-N
-rxn:4:217889:222805,OC1CCN(c2cc(-c3cnc(N4C5CCC4CC(=C4CC4)C5)nc3)cc(F)c2F)CC1,QHICSGSDCDMSBA-UHFFFAOYSA-N
-rxn:4:218568:224061,CCCC1CCC(c2ccc(-c3cnn(CC4CN(C(=O)c5ccc(OC(C)C)nc5)C4)c3)c(F)c2)CC1,PAMDCKWPGPZLNT-UHFFFAOYSA-N
-rxn:4:218587:224741,COc1cc(C2OCCO2)cc(OC)c1-c1cnc(OCC2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)nc1,PJYHZLUOOFTWRO-UHFFFAOYSA-N
-rxn:4:218587:225859,N#Cc1ccc(S(=O)(=O)N2CCC(COc3ncc(-c4cnc(N5CCCCC5)c(Cl)c4)cn3)CC2)cc1,PHFLLWMKJAGTHZ-UHFFFAOYSA-N
-rxn:4:218589:223558,N#Cc1ccc(S(=O)(=O)N2CCCC(COc3ncc(-c4ccc5c(c4)CCN(C(=O)OCc4ccccc4)C5)cn3)C2)cc1,XLUJREJNDIVIGU-UHFFFAOYSA-N
-rxn:4:218603:224050,CCc1cc(-c2cnc(OCC3CCCN(C(=O)CN4C(=O)CCC4=O)C3)nc2)ccc1OCc1ccccc1,XCMGFAMTMPQYFP-UHFFFAOYSA-N
-rxn:4:218618:225186,COc1ccc(CCC(=O)N2CCC(n3ccnn3)CC2)cc1-c1ccc(F)c(CN2CCSCC2)c1,XSBODQZEOYXUMN-UHFFFAOYSA-N
-rxn:4:218668:223636,CC(C)(C)OC(=O)N1CCCC(c2ccc(-c3cccnc3OC3CCN(C(=O)CN4CCN(c5ccccc5)C4=O)C3)cc2)C1,QKHCOKUVNCMPJZ-UHFFFAOYSA-N
-rxn:4:218676:227109,Cc1cc(Cl)c(C2CC2)cc1-c1c(C)nn(CCC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c1C,PXAGINXJXLCQKI-UHFFFAOYSA-N
-rxn:4:218696:225323,Cc1nn(C(C)CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c(C)c1-c1cc(C(F)(F)F)c2c(cnn2C)c1,JFUDVKAJHVBZMQ-UHFFFAOYSA-N
-rxn:4:218704:222809,Cc1cc(Cl)ccc1OCC(=O)N1CCCN(c2cc(-c3ccc(-c4cc(Cl)ncc4NC(=O)OC(C)(C)C)cc3)n[nH]2)CC1,JUPSHRPMIQWHTH-UHFFFAOYSA-N
-rxn:4:218704:223823,Cc1cc(Cl)ccc1OCC(=O)N1CCCN(c2cc(-c3ccc(-c4cnn(C5CCN(C(=O)OC(C)(C)C)CC5)c4)cc3)n[nH]2)CC1,FWHATVFDIUYZTE-UHFFFAOYSA-N
-rxn:4:218748:223682,O=C(Cn1ccc2ccccc21)N1CCC(COc2ncc(-c3c(C(F)(F)F)ccc4c3cnn4C3CCCCO3)cn2)CC1,VRDLWVVRDUUMCX-UHFFFAOYSA-N
-rxn:4:218768:226619,COc1ccc(CCC(=O)N2Cc3cnc(N4CCOCC4)nc3C2)cc1-c1cnc(N2CCCC2)nc1C,CCXWUIYYTXPHDE-UHFFFAOYSA-N
-rxn:4:218778:226949,Cc1ccc2nccc(-c3cc(Cl)cc4c3nc(N3CC5(CN(C(=O)OC(C)(C)C)C5)C3)n4Cc3cc(C)c(F)c(C)c3)c2c1,KWLICZNNFJXFFY-UHFFFAOYSA-N
-rxn:4:218806:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccccc3CCC(=O)N3CC(n4ccnn4)C3)c(F)c2)CC1,PWWOWJGKWSDEIM-RQNOJGIXSA-N
-rxn:4:218807:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccccc3CCC(=O)N3CC(n4nccn4)C3)c(F)c2)CC1,OCXBLCUOIJBQRJ-RQNOJGIXSA-N
-rxn:4:218824:226014,COc1ccc(S(=O)(=O)OC)cc1-c1cnc(N2CC(CN(C)S(=O)(=O)C3CC3)C2)nc1,JLBQCWLYNCYIFA-UHFFFAOYSA-N
-rxn:4:218846:228677,CC(C)Cn1cc(-c2cnc(OC3CCN(C(=O)CN4C(=O)CCC4=O)C3)nc2)cn1,KKLMFBZJLBZWRG-UHFFFAOYSA-N
-rxn:4:218846:228964,COC(=O)c1ncc(-c2cnc(OC3CCN(C(=O)CN4C(=O)CCC4=O)C3)nc2)s1,KVCYBMRUZPOIBS-UHFFFAOYSA-N
-rxn:4:218867:223170,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3cnc(C4CCCNC4)nc3)c2)no1,CLFVHNSOFUKURK-UHFFFAOYSA-N
-rxn:4:218867:225218,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3cnc(N4CCCC(C)C4)c(Cl)c3)c2)no1,JHQJQLKRZWCABS-UHFFFAOYSA-N
-rxn:4:218867:225975,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3ccnc(N4CCOCC4)c3Cl)c2)no1,NREPGOFVZDRZOV-UHFFFAOYSA-N
-rxn:4:218867:227386,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3cnn(C4CCCCC4)c3)c2)no1,COXOBCDPGCPUHP-UHFFFAOYSA-N
-rxn:4:218868:225828,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3cnc(N4CCCCCC4)nc3)cc2)no1,OZJFAZOJJSWOPP-UHFFFAOYSA-N
-rxn:4:218877:224633,COc1ccc(CN2CCOCC2)cc1-c1cnc(OC2CCCN(C(=O)CN3CCOC3=O)C2)nc1,OTIWIYKUCFYEOY-UHFFFAOYSA-N
-rxn:4:218887:224251,Cc1oncc1C(=O)N1CCC(COc2ncc(-c3ccc(C(=O)N4CCCC(C)C4)cc3F)cn2)CC1,UFRPPFGOPXPYTK-UHFFFAOYSA-N
-rxn:4:218914:223641,CCc1cc2c(cc1F)cc(-c1cnc(OCC3CCN(Cc4csc(C)n4)CC3)nc1)n2C(=O)OC(C)(C)C,ZERVFMSNGZFERH-UHFFFAOYSA-N
-rxn:4:218948:228147,CCCc1cc(-c2cnc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)nc2)cnc1Cl,XVUVOOLLKGSSJR-UHFFFAOYSA-N
-rxn:4:218967:222710,COc1ccc(S(=O)(=O)NC(C)(C)C)cc1-c1cccnc1OC1CCN(C(=O)c2cn(C)nc2OC)CC1,LOCZCEUWEJEVHL-UHFFFAOYSA-N
-rxn:4:218976:223810,Cc1cc(-c2cnc(OC3CCN(C4CCN(CC(F)(F)F)C4=O)CC3)nc2)cc(C)c1S(=O)(=O)N1CCC(C)CC1,UDAXAEOBWCRVOO-UHFFFAOYSA-N
-rxn:4:218992:222826,CS(=O)(=O)N1CCC(C(=O)N2CC(Cn3cc(-c4cccc(S(=O)(=O)N5CCNCC5)c4)cn3)C2)CC1,BFUZMZRQVRAYIJ-UHFFFAOYSA-N
-rxn:4:219053:225177,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cncc(-c4ccc(CN5CCSCC5)c(F)c4)c3)cn2)CC1,VCYISZOUHFMQEY-UHFFFAOYSA-N
-rxn:4:219053:225186,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cncc(-c4ccc(F)c(CN5CCSCC5)c4)c3)cn2)CC1,UHNZFSNBQAPBMH-UHFFFAOYSA-N
-rxn:4:219053:225320,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cncc(-c4ccc(N5CCOCC5)c(F)c4F)c3)cn2)CC1,AVDJTILMSRGVHA-UHFFFAOYSA-N
-rxn:4:219053:225596,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cncc(-c4ccc(Cl)c(CN5CCCC5)c4)c3)cn2)CC1,CMBSYKBKSCPVPY-UHFFFAOYSA-N
-rxn:4:219053:225872,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cncc(-c4cc(F)c(F)c(N5CCCC5)c4)c3)cn2)CC1,FCDSZGCQACYEQM-UHFFFAOYSA-N
-rxn:4:219061:222824,Cc1cc(F)c(-c2cnc(OC3CCCN(C(=O)C4CCN(S(C)(=O)=O)CC4)C3)nc2)cc1S(=O)(=O)NC(C)C,QGGLCWQOVAZDQQ-UHFFFAOYSA-N
-rxn:4:219061:226528,CCOC(=O)c1ccc(-c2cnc(OC3CCCN(C(=O)C4CCN(S(C)(=O)=O)CC4)C3)nc2)c(Cl)c1,HQSJTBWPYUNGLJ-UHFFFAOYSA-N
-rxn:4:219093:222684,CCC(=O)C1=C(c2ccc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)cc2)N(C(=O)CC)n2cnnc2S1,FBXTUCAKUDCATQ-UHFFFAOYSA-N
-rxn:4:219315:223650,CC(C)(C)OC(=O)N1CCN(c2ccccc2-c2cnc(N3CCC(COc4ccc(F)cn4)C3)nc2)CC1,ZVNQLPATTBADAB-UHFFFAOYSA-N
-rxn:4:219340:224321,CC1CCN(S(=O)(=O)c2cccc(-c3ccc(C(=O)N4CCC(n5cc(C6CC6)nn5)C4)o3)c2)CC1,RMQJCNHDXSCQSG-UHFFFAOYSA-N
-rxn:4:219360:224170,Cc1nnsc1C(=O)N1CCC(Oc2ncccc2-c2ccc(OCCCN3CCCC3)c(Cl)c2)CC1,FSRIFBXIJRJULS-UHFFFAOYSA-N
-rxn:4:219360:224171,Cc1nnsc1C(=O)N1CCC(Oc2ncccc2-c2ccc(OCCCN3CCCC3)c(F)c2)CC1,REXYWSJIZSHMAS-UHFFFAOYSA-N
-rxn:4:219360:224290,Cc1nnsc1C(=O)N1CCC(Oc2ncccc2-c2ccc(Cl)cc2OCCN2CCOCC2)CC1,OKLGSYGAYUYQDE-UHFFFAOYSA-N
-rxn:4:219381:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3cnc(SC)nc3N3CCN(S(=O)(=O)C4CC4)CC3)cc2)CC1,BNOGALSRCOJNAS-HZCBDIJESA-N
-rxn:4:219402:225975,CC(C)(C)OC(=O)N1CCN(c2cnc(-c3ccnc(N4CCOCC4)c3Cl)cn2)CC1,FCNZETCPXXNICP-UHFFFAOYSA-N
-rxn:4:219403:222485,Cc1cccc(NC(=O)c2ccc(-c3cnn(CC4CN(C5CCN(C6CC6)C5=O)C4)c3)cc2F)c1C,MWKZZGJVYYMVPP-UHFFFAOYSA-N
-rxn:4:219405:223682,CC(C)(C)OC(=O)N1CCN(c2ccnc(-c3c(C(F)(F)F)ccc4c3cnn4C3CCCCO3)n2)CC1,XNTXLQWNBZZPFR-UHFFFAOYSA-N
-rxn:4:219410:224076,CC(C)(C)[Si](C)(C)n1ccc2cc(-c3cnc(OC4CCN(S(=O)(=O)N5CCOCC5)C4)nc3)ccc21,YKPZVIPRSNVJAA-UHFFFAOYSA-N
-rxn:4:219410:224711,CCCCOc1ccc(C(F)(F)F)cc1-c1cnc(OC2CCN(S(=O)(=O)N3CCOCC3)C2)nc1,DSOMEJHTKNJOGA-UHFFFAOYSA-N
-rxn:4:219465:223595,Cc1cc(OCC2CCCN(c3ncc(-c4ccc(N5CCN(C(=O)OC(C)(C)C)CC5)c(F)c4)cn3)C2)ccn1,ZDZBOVQAAOHXFK-UHFFFAOYSA-N
-rxn:4:219467:222546,Cc1cccc(OCC2CCCN(c3ncc(-c4ccc(OCCNC5CCCCC5)c(F)c4)cn3)C2)n1,BDVZAKCUIVNUSL-UHFFFAOYSA-N
-rxn:4:219473:223787,COc1nc(N2CCOC(C(=O)N3CCCC3)C2)ncc1-c1ccc(OCCCN2CCN(C)CC2)c(F)c1,SSZWFCTWOIZAOI-UHFFFAOYSA-N
-rxn:4:219494:224402,CCN(CC)S(=O)(=O)c1cc(F)c(F)cc1-c1cnccc1OC1CCN(c2cc(C)nc(C3CC3)n2)C1,JMBDVFXXZRAECH-UHFFFAOYSA-N
-rxn:4:219498:226262,CCCCOc1cccc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)nc2OC)c1Cl,ITZJCKQEFBDDEX-UHFFFAOYSA-N
-rxn:4:219501:222877,CSc1ncc(-c2ccc(C(=O)NC(C)(C)C)c(Cl)c2)c(N2CCOC(C(=O)N3CCOCC3)C2)n1,CPVXWEXKGFLBBW-UHFFFAOYSA-N
-rxn:4:219501:223110,CSc1ncc(-c2ccc(CNC(C)(C)C)cc2)c(N2CCOC(C(=O)N3CCOCC3)C2)n1,BBVYYKWWXCATLQ-UHFFFAOYSA-N
-rxn:4:219530:226307,COCc1cc(C)cc(-c2cnc(OC3CCN(C4CCN(C5CC5)C4=O)CC3)nc2)c1OC,WXKXCBCAUUZSQI-UHFFFAOYSA-N
-rxn:4:219531:225709,CSc1ncc(-c2ccc(OCCCN(C)C)nc2)c(N2CCOC(C(=O)N3CCCCC3)C2)n1,YSKOIEGFRHNPLN-UHFFFAOYSA-N
-rxn:4:219542:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3cccc(C(=O)N4CCCC(N(C)c5ncc(C)cn5)C4)c3)cc2)CC1,BYWISQZZTQKHMM-UHFFFAOYSA-N
-rxn:4:219565:225292,Cc1cc(C)c(C#N)c(N2CCCN(S(=O)(=O)c3ccc(-c4ccc(OC(C)C)c(C(F)(F)F)c4)cc3)CC2)n1,IMHQRQPMAKNFES-UHFFFAOYSA-N
-rxn:4:219623:224718,O=C(c1ccc(-c2ccc(OCCN3CCOCC3)nc2)o1)N1CCN(S(=O)(=O)c2cccc3nsnc23)CC1,WKFYQFAJQZWKPY-UHFFFAOYSA-N
-rxn:4:219653:222888,CC(C)(C)OC(=O)N1CCN(c2nc3ccc(-c4ccc(CN5CCNCC5)c(Cl)c4)nc3s2)CC1,HPCMJLXWQSLNRL-UHFFFAOYSA-N
-rxn:4:219653:224377,CN1CCN(S(=O)(=O)c2ccc(-c3ccc4nc(N5CCN(C(=O)OC(C)(C)C)CC5)sc4n3)cc2)CC1,MAOVXNBHUDJNRO-UHFFFAOYSA-N
-rxn:4:219678:222987,Cc1nc(C2CCNCC2)ccc1-c1ccccc1S(=O)(=O)N1CC2CN(c3ccc(C#N)cn3)CC2C1,SDWIAXORUJICQB-UHFFFAOYSA-N
-rxn:4:219689:225177,CC(C)(C)OC(=O)N1CCN(c2ccc3ncc(-c4ccc(CN5CCSCC5)c(F)c4)n3c2)CC1,RENLURCQLZPEKR-UHFFFAOYSA-N
-rxn:4:219691:226663,CC(C)(C)OC(=O)N1CCCC(c2cc(Cl)n3ncc(-c4ccc(N5CCSCC5)nc4)c3n2)C1,QCTDKEBMJYRGDI-UHFFFAOYSA-N
-rxn:4:219704:224718,CC(C)(C)OC(=O)N1CCN(c2cnc3ccc(-c4ccc(OCCN5CCOCC5)nc4)cc3n2)CC1,ODBTZOQCOLHQBX-UHFFFAOYSA-N
-rxn:4:219704:225889,CC(C)(C)OC(=O)N1CCN(c2cnc3ccc(-c4ccnn4COCC[Si](C)(C)C)cc3n2)CC1,YQKVMYCOJLONJK-UHFFFAOYSA-N
-rxn:4:219742:222877,CC(C)(C)NC(=O)c1ccc(-c2cncc(C(=O)N3CCC(Cn4nc5c(cc4=O)CCC5)CC3)c2)cc1Cl,XWXHYHLPGQEDER-UHFFFAOYSA-N
-rxn:4:219745:223945,COc1ccc(-c2ccc(OCCCN3CCOCC3)c(F)c2)c(C(=O)N2CCC(n3cnc4ncccc4c3=O)CC2)c1,VQMLECLLALGUGP-UHFFFAOYSA-N
-rxn:4:219764:224300,COc1cc(C(=O)N2CCSCC2)ccc1-c1c(Cl)cc2c(N3CC4CCC(C3)N4C(=O)OC(C)(C)C)nc(F)nc2c1F,PLMIXWKGNCRAMD-UHFFFAOYSA-N
-rxn:4:219780:225221,CC(=O)N1CCc2c(c(N3CCCc4cc(-c5cc(N6CCCC(C)C6)ncc5F)c(C(F)F)cc43)nn2C2CCOCC2)C1,CMLQGBWCIQIQCB-UHFFFAOYSA-N
-rxn:4:219862:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3cnc(N4CC(Oc5ccnc(C)c5)C4)nc3)cc21,OCOFNTSTYRXIBZ-UHFFFAOYSA-N
-rxn:4:219867:224178,CCN1CCN(c2ncc(-c3cccc(OCCN4CCN(C)CC4)c3)cc2[N+](=O)[O-])CC1,AXEAPQMKCGILEV-UHFFFAOYSA-N
-rxn:4:219880:224374,COc1ccc(S(=O)(=O)N2CCCC2)cc1-c1cnc(SC)nc1N1CCN(S(C)(=O)=O)CC1,VRCBUBUIVPDSKH-UHFFFAOYSA-N
-rxn:4:219931:224163,Cc1c(-c2cnc(N3CCCN(S(=O)(=O)C4CC4)CC3)nc2)ccc2c1cnn2C1CCCCO1,QXZDICJEHUAFPY-UHFFFAOYSA-N
-rxn:4:219955:223814,O=C(C1CN(c2ncc(-c3ccc(CN4CCC5(CC4)OCCO5)cc3F)cn2)CCO1)N1CCSCC1,GMPCMPBDPIIQJJ-UHFFFAOYSA-N
-rxn:4:220150:224251,CC1CCCN(C(=O)c2ccc(-c3ccc4c(N5CC(C(=O)N6CCSCC6)CC5=O)[nH]nc4c3)c(F)c2)C1,QWHITJDFMACMTI-UHFFFAOYSA-N
-rxn:4:220398:223687,CN1CCN(c2ncc(-c3cnc(N4CCN(C(=O)OC(C)(C)C)CC4)nc3)cc2[N+](=O)[O-])CC1,LRBLLCVXGLILJS-UHFFFAOYSA-N
-rxn:4:220404:224325,CN1CCN(C(=O)c2cnn(C)c2-c2ccc(C3=CCN(S(C)(=O)=O)CC3)cc2)CC1,ZMSWUTGYHIOLGE-UHFFFAOYSA-N
-rxn:4:220430:222740,CC(C)c1cc(-c2cnc(N3CCCN(C4CCSC4)CC3)nc2)cc(C2CCCNC2)n1,RHMHAGCKSBFYTQ-UHFFFAOYSA-N
-rxn:4:220430:225210,Cc1nc(N2CCC(C)CC2)ncc1-c1cnc(N2CCCN(C3CCSC3)CC2)nc1,SDOMXNZBACUSKQ-UHFFFAOYSA-N
-rxn:4:220432:222389,Cc1cc(C)nc(N2CCN(c3ccc(-c4cc(C5CCNCC5)nc(C5CCNCC5)c4)cc3)CC2)n1,KCDUDMFIZGSLSN-UHFFFAOYSA-N
-rxn:4:220549:223502,Cc1cn2c(nc3c2c(=O)n(Cc2ccc(-c4ccc(C(=O)N5CCN(C(=O)OC(C)(C)C)CC5)c(F)c4)cc2)c(=O)n3C)o1,CQDLCCBSSVKLAY-UHFFFAOYSA-N
-rxn:4:220926:223533,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cnc4ccc(N5CCCC5)nn34)c(F)c2)CC1,QAUXAXAEJPHCRS-UHFFFAOYSA-N
-rxn:4:220935:223528,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3cnc4ccc(N5CCOCC5)nn34)ccc2F)CC1,PASBLONEDSUKAF-UHFFFAOYSA-N
-rxn:4:220935:223532,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)cc(-c3cnc4ccc(N5CCOCC5)nn34)c2)CC1,CRGLETHNJIVMGC-UHFFFAOYSA-N
-rxn:4:221098:222977,Cc1ccc(C(=O)NC2CC2)cc1-c1cnc(OCC2CCN(C(=O)c3cn(C)nc3C(F)F)CC2)nc1,LYVFUJPDQKZURX-UHFFFAOYSA-N
-rxn:4:221152:223532,Cc1nnsc1C(=O)N1CCCC(COc2ncc(-c3cc(F)cc(CN4CCN(C(=O)OC(C)(C)C)CC4)c3)cn2)C1,POMORHHAGCHLQO-UHFFFAOYSA-N
-rxn:4:221173:225172,Cn1nc(C(=O)N2CCCC(COc3ncc(-c4cc(CN5CCOCC5)ccc4F)cn3)C2)ccc1=O,OALACVADGCQDIH-UHFFFAOYSA-N
-rxn:4:221175:222692,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4ccc(F)c(C(=O)Nc5ccccn5)c4)cn3)C2)C(=O)C1=O,FWLLPFYKMLBZNQ-UHFFFAOYSA-N
-rxn:4:221175:224196,CCN1CCN(Cc2cc(F)cc(-c3cnc(OC4CCN(C(=O)N5CCN(CC)C(=O)C5=O)C4)nc3)c2)CC1,WPKBHFQEFIKICB-UHFFFAOYSA-N
-rxn:4:221175:227213,CCCCSc1cncc(-c2cnc(OC3CCN(C(=O)N4CCN(CC)C(=O)C4=O)C3)nc2)c1,PDZANVGHRWCDBO-UHFFFAOYSA-N
-rxn:4:221194:223227,CC(C)c1nc(S(=O)(=O)N2CCC(Oc3ncc(-c4ccc(C(C)NC5CC5)s4)cn3)CC2)cn1C,FWNKWCVSPVDVGZ-UHFFFAOYSA-N
-rxn:4:221196:223812,Cc1c(C(=O)N2CCCC(Oc3ncc(-c4cc(F)cc(CN5CCC6(CC5)OCCO6)c4)cn3)C2)cnn1-c1ccccc1,BEONXHSKUUPDAF-UHFFFAOYSA-N
-rxn:4:221209:223118,CCCC(=O)Nc1cccc(-c2ccc(CCN3CCN(c4cc(N5CCOCC5)nc(C)n4)CC3)cc2)c1,JJXBAZDFDCDALM-UHFFFAOYSA-N
-rxn:4:221240:223031,CCNC(=O)c1ccc(-c2cnc(OCC3CCCN(Cc4c5c(nn4C)CCC5)C3)nc2)c(OC)c1,WETCTFQKCYXZSF-UHFFFAOYSA-N
-rxn:4:221249:225186,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc4c(-c5ccc(F)c(CN6CCSCC6)c5)cnn4c3)cc2)CC1,VYLZBIDMHZZWCC-UHFFFAOYSA-N
-rxn:4:221249:225320,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc4c(-c5ccc(N6CCOCC6)c(F)c5F)cnn4c3)cc2)CC1,OHVHMWXEVASTGM-UHFFFAOYSA-N
-rxn:4:221267:223812,CCCCCn1c(=O)c2c(nc3n2CCCN3c2ccc(-c3cc(F)cc(CN4CCC5(CC4)OCCO5)c3)cc2)n(C)c1=O,XNPDHTIAARSKBW-UHFFFAOYSA-N
-rxn:4:221267:225347,CCCCCn1c(=O)c2c(nc3n2CCCN3c2ccc(-c3cnc(OC(C)C)c(C(F)(F)F)c3)cc2)n(C)c1=O,MPUUPGUBXLOJTQ-UHFFFAOYSA-N
-rxn:4:221369:224196,CCN1CCN(Cc2cc(F)cc(-c3cnc(OC4CCCN(C(=O)c5ccc(=O)n(C)n5)C4)nc3)c2)CC1,PSRYXFCUQVTPDI-UHFFFAOYSA-N
-rxn:4:221380:222828,Cn1c(C(F)(F)F)nn(C2CCN(C(=O)c3cncc(-c4cc(F)c(F)cc4S(=O)(=O)NC4CC4)c3)CC2)c1=O,RISBCGAPKJRHGS-UHFFFAOYSA-N
-rxn:4:221391:224372,CSc1ncc(-c2cc(C(=O)N3CCCC3)cc([N+](=O)[O-])c2)c(N2CCC(N(C)c3ccccn3)CC2)n1,OZGHYLGIFOXQRZ-UHFFFAOYSA-N
-rxn:4:221392:224718,Cc1nc(C)c(F)c(OCC2CCN(c3ncc(-c4ccc(OCCN5CCOCC5)nc4)cn3)CC2)n1,LKHRZXJEYCOJFE-UHFFFAOYSA-N
-rxn:4:221393:225341,CCOc1ccc(OC(F)(F)F)c(-c2cncc(C(=O)N3CCCN(S(=O)(=O)c4cnn(C)c4)CC3)c2)c1,BIVWSQJUMONCGG-UHFFFAOYSA-N
-rxn:4:221393:225358,COC(=O)c1cc(-c2cncc(C(=O)N3CCCN(S(=O)(=O)c4cnn(C)c4)CC3)c2)cc(C(F)(F)F)c1,GGDDUSXACIAETM-UHFFFAOYSA-N
-rxn:4:221395:223786,CN1CCN(CCCOc2ccc(-c3cnc(N4CCC(Cn5cnc(C6CC6)cc5=O)CC4)nc3)cc2Cl)CC1,QWHFOEWZOLNECM-UHFFFAOYSA-N
-rxn:4:221395:223867,CC1CCN(CCCOc2cccc(-c3cnc(N4CCC(Cn5cnc(C6CC6)cc5=O)CC4)nc3)c2)CC1,PBPPRXKRVFENMQ-UHFFFAOYSA-N
-rxn:4:221395:224127,CCN1CCN(C(C)c2ccc(-c3cnc(N4CCC(Cn5cnc(C6CC6)cc5=O)CC4)nc3)cc2)CC1,CWUKGYKMOGLAAG-UHFFFAOYSA-N
-rxn:4:221395:224431,Cc1cccc(CN(C(C)C)C(C)C)c1-c1cnc(N2CCC(Cn3cnc(C4CC4)cc3=O)CC2)nc1,SYBQMAALCDUHPA-UHFFFAOYSA-N
-rxn:4:221427:224287,CCN(CC)S(=O)(=O)c1c(C)cc(-c2ccccc2CN2CCN(c3cc(N4CCOCC4)ncn3)CC2)cc1C,XJQBAGIAAXXJOU-UHFFFAOYSA-N
-rxn:4:221433:223170,Cc1cc(N2CCCC2)nc(N2CCN(C(=O)c3ccc(-c4cnc(C5CCCNC5)nc4)cc3)CC2)n1,FYLRDVUBNFINKY-UHFFFAOYSA-N
-rxn:4:221437:226843,O=C(c1ccc(-c2ccc(C(=O)C(F)(F)F)nc2)o1)N1CCN(c2ccc(N3CCCCCC3)nn2)CC1,HVEKPJRCKZLWGV-UHFFFAOYSA-N
-rxn:4:221448:223135,Cc1nc(N2CCOCC2)cc(N2CCN(Cc3ccc(-c4cccnc4C4CCCNC4)cc3)CC2)n1,XDTXJQTVLKXASL-UHFFFAOYSA-N
-rxn:4:221448:224759,Cc1nc(N2CCOCC2)cc(N2CCN(Cc3ccc(-c4cc(F)cc(C(=O)N5CCOCC5)c4)cc3)CC2)n1,KCXVYLYUXAICRR-UHFFFAOYSA-N
-rxn:4:221449:222723,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccc(NS(=O)(=O)N5CCOCC5)c4)cc3)CC2)n1,MJRBDFYYSREYOC-UHFFFAOYSA-N
-rxn:4:221499:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3ccc4ccn(CC(=O)N5CCN(c6ncccn6)CC5)c4c3)cc2)CC1,YXSMZMRJJJHUTL-UHFFFAOYSA-N
-rxn:4:221520:225276,CCCOc1cc(-c2cnc(N3CCC(COc4cc5c(nn4)CCCC5)CC3)nc2)ccc1C(F)(F)F,MQGXGSHCUJNBAW-UHFFFAOYSA-N
-rxn:4:221522:222634,COc1ccc2c(=O)n(CC3CCN(c4ncc(-c5ccc(OCCNC6CCCC6)c(F)c5)cn4)CC3)cnc2c1,PTGIZEHERCMDMW-UHFFFAOYSA-N
-rxn:4:221528:225212,CC(C)c1sc(-c2cc(F)cc(N3CCN(C)CC3)c2)nc1C(=O)N1CCN(c2nc3ccccc3n2C)CC1,XSELQHHAAGCHEL-UHFFFAOYSA-N
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-rxn:5:177445:226424:225833,CC(C)=CCOc1ccc(-c2cc(N3CCCC(C)C3)cs2)cc1-c1ccnc(N2CCCCC2)c1F,BNEGKSOWIVJCPI-UHFFFAOYSA-N
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-rxn:5:177732:223139:225631,CN1CCN(c2ccc(-c3cc(C(=O)OC(C)(C)C)ccc3-c3ccc(C4CCNCC4)nc3)cc2)CC1,WPFIGPOAQFZJBH-UHFFFAOYSA-N
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-rxn:5:177733:225982:226794,CC(C)(C)OC(=O)c1cc(-c2cnc(N3CCSCC3)nc2)cc(-c2cnc(N3CCOCC3)cc2F)c1,CQSQQJWOIQYWDI-UHFFFAOYSA-N
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-rxn:5:180402:223189:226068,Cc1cc(C(C)(C)C)cc(C)c1-c1cc(-c2ccc(NS(C)(=O)=O)cc2F)ccc1C(=O)C1CCCCC1,WKADZYGBBPRBSU-UHFFFAOYSA-N
-rxn:5:180662:223000:227770,COC(=O)C1=Cc2cc(-c3cnc(OC)c([N+](=O)[O-])c3)cc(-c3ccc(C4CCCNC4)c(F)c3)c2OC1,FMFJTKHFTTVELY-UHFFFAOYSA-N
-rxn:5:180662:225595:226794,COC(=O)C1=Cc2cc(-c3cnc(N4CCSCC4)nc3)cc(-c3ccc(F)c(CN4CCCC4)c3)c2OC1,MAVDZWDVABZCDI-UHFFFAOYSA-N
-rxn:5:180662:225849:226794,COC(=O)C1=Cc2cc(-c3cnc(N4CCSCC4)nc3)cc(-c3cnc(N4CCCCC4)cc3F)c2OC1,QDUZWAQAUQVGTJ-UHFFFAOYSA-N
-rxn:5:180662:225872:226794,COC(=O)C1=Cc2cc(-c3cnc(N4CCSCC4)nc3)cc(-c3cc(F)c(F)c(N4CCCC4)c3)c2OC1,FGGMQGQBHXGQBV-UHFFFAOYSA-N
-rxn:5:180662:225978:226794,COC(=O)C1=Cc2cc(-c3cnc(N4CCSCC4)nc3)cc(-c3ccc(N4CCOCC4)nc3F)c2OC1,VONKSRORNOTRPD-UHFFFAOYSA-N
-rxn:5:180662:226144:223147,COC(=O)C1=Cc2cc(-c3ccc(C4CNCCO4)cc3)cc(-c3ccc(C#C[Si](C)(C)C)cc3)c2OC1,BHCXIORXLYLBJA-UHFFFAOYSA-N
-rxn:5:180662:226412:226794,COC(=O)C1=Cc2cc(-c3cnc(N4CCSCC4)nc3)cc(-c3cc(F)cc(N4CCCC4)c3)c2OC1,BBHLJODEUGFRAF-UHFFFAOYSA-N
-rxn:5:180662:226658:226794,COC(=O)C1=Cc2cc(-c3cnc(N4CCSCC4)nc3)cc(-c3ccc(N4CCCC4)nc3F)c2OC1,PTTFJYFDUPGEEA-UHFFFAOYSA-N
-rxn:5:180662:226794:225872,COC(=O)C1=Cc2cc(-c3cc(F)c(F)c(N4CCCC4)c3)cc(-c3cnc(N4CCSCC4)nc3)c2OC1,WJLOPMSMQRTRSV-UHFFFAOYSA-N
-rxn:5:180662:226794:225978,COC(=O)C1=Cc2cc(-c3ccc(N4CCOCC4)nc3F)cc(-c3cnc(N4CCSCC4)nc3)c2OC1,IJIFHYGEKIBHTN-UHFFFAOYSA-N
-rxn:5:180662:226794:226679,COC(=O)C1=Cc2cc(-c3cnc(N4CCCC4)cc3F)cc(-c3cnc(N4CCSCC4)nc3)c2OC1,GOGUOAUJEZNRLS-UHFFFAOYSA-N
-rxn:5:181904:222956:226425,Cc1ccc(-c2ccc(C3OCCO3)c(C)c2-c2ccc(N3CCCCC3C)s2)c(C2CCCNC2)c1,IYQAOZUKKLVFFJ-UHFFFAOYSA-N
-rxn:5:181905:222996:223058,Cc1ccc(-c2cc(F)nc(C3CCCNC3)c2)c(C2OCCO2)c1-c1ccc(F)cc1C1CCCNC1,KFAYCDOQVQBJCF-UHFFFAOYSA-N
-rxn:5:181905:225466:225832,Cc1ccc(-c2c(C)nn(C3CCCCO3)c2C)c(C2OCCO2)c1-c1ccc(N2CCCCC2C)cc1,QLKSXAGVLVKFIY-UHFFFAOYSA-N
-rxn:5:181906:225453:225633,Cc1ccc(-c2cccc(SC3CCCCC3)c2)c(C2OCCO2)c1-c1ccc(N2CCCCCC2)nc1,IUQTXBIVFJOMSF-UHFFFAOYSA-N
-rxn:5:181906:225832:223136,Cc1ccc(-c2c(C)nn(C3CCCCO3)c2C)c(C2OCCO2)c1-c1ccncc1C1CCCNC1,KZYYVCJXGOAXIE-UHFFFAOYSA-N
-rxn:5:181907:222980:225656,Cc1cc(-c2ccc(CN3CCNCC3)cc2)c(-c2cncc(N3CCCCC3C)c2)c(C2OCCO2)c1,GZFPLAGECIZPLQ-UHFFFAOYSA-N
-rxn:5:181907:222986:223007,Cc1cc(-c2cc(C)nc(C3CCCNC3)c2)c(-c2cc(F)cc(C3CCNCC3)c2)c(C2OCCO2)c1,UBODNSJTQJNFFK-UHFFFAOYSA-N
-rxn:5:181907:225462:225653,Cc1cc(-c2cccc(N3CCC(C)CC3)c2)c(-c2ccc(N3CCCCC3C)nc2)c(C2OCCO2)c1,MIZWQDQUMZBMSS-UHFFFAOYSA-N
-rxn:5:181907:225470:225438,Cc1cc(-c2ccc(N3CCC(C)CC3)cc2)c(-c2ccc(C(C)N3CCCC3)cc2)c(C2OCCO2)c1,PSYNPVWLQHKVRO-UHFFFAOYSA-N
-rxn:5:181907:225472:225638,Cc1cc(-c2cccc(N3CCCCC3C)c2)c(-c2ccc(N3CCC(C)CC3)nc2)c(C2OCCO2)c1,XXEFWNCWYVAGHR-UHFFFAOYSA-N
-rxn:5:181907:225653:225655,Cc1cc(-c2ccc(N3CCCCC3C)nc2)c(-c2cncc(N3CCC(C)CC3)c2)c(C2OCCO2)c1,QALBNYIZABNFKV-UHFFFAOYSA-N
-rxn:5:181907:225655:225655,Cc1cc(-c2cncc(N3CCC(C)CC3)c2)c(-c2cncc(N3CCC(C)CC3)c2)c(C2OCCO2)c1,FTMYOKZTXJPGIH-UHFFFAOYSA-N
-rxn:5:181907:225832:227610,Cc1cc(-c2c(C)nn(C3CCCCO3)c2C)c(-c2ccn(C3CCCCO3)n2)c(C2OCCO2)c1,KPAJARWQUKZEJX-UHFFFAOYSA-N
-rxn:5:181907:226425:225438,Cc1cc(-c2ccc(N3CCCCC3C)s2)c(-c2ccc(C(C)N3CCCC3)cc2)c(C2OCCO2)c1,XDZCKVLTLZRVNE-UHFFFAOYSA-N
-rxn:5:181908:222958:222956,Cc1ccc(-c2cc(C3OCCO3)c(C)cc2-c2ccc(C)c(C3CCNCC3)c2)c(C2CCCNC2)c1,UAOLXNBJVFIKIY-UHFFFAOYSA-N
-rxn:5:181908:222959:225655,Cc1cc(-c2cc(C)c(C3OCCO3)cc2-c2cncc(N3CCC(C)CC3)c2)ccc1C1CCNCC1,QTSWKTWGNNPRHO-UHFFFAOYSA-N
-rxn:5:181908:222998:225674,Cc1cc(-c2cc(F)cc(C3CCCNC3)c2)c(-c2cnc(C3CCCCC3)cc2F)cc1C1OCCO1,QIRFKHKDFZSAKP-UHFFFAOYSA-N
-rxn:5:181908:223007:222956,Cc1ccc(-c2cc(C3OCCO3)c(C)cc2-c2cc(F)cc(C3CCNCC3)c2)c(C2CCCNC2)c1,HHIXVXJOZWGYCP-UHFFFAOYSA-N
-rxn:5:181908:223141:225832,Cc1cc(-c2cncc(C3CCNCC3)c2)c(-c2c(C)nn(C3CCCCO3)c2C)cc1C1OCCO1,KIUBVXSIMBDVSW-UHFFFAOYSA-N
-rxn:5:181908:225466:225633,Cc1cc(-c2ccc(N3CCCCC3C)cc2)c(-c2ccc(N3CCCCCC3)nc2)cc1C1OCCO1,ASJOOIRLIVYHDH-UHFFFAOYSA-N
-rxn:5:181908:225656:225438,Cc1cc(-c2cncc(N3CCCCC3C)c2)c(-c2ccc(C(C)N3CCCC3)cc2)cc1C1OCCO1,AUDPAYJGCZEXQJ-UHFFFAOYSA-N
-rxn:5:181908:225677:222957,Cc1cc(-c2cc(C3OCCO3)c(C)cc2-c2ccc(C3CCCCC3)nc2F)cc(C2CCCNC2)c1,UJXXBUZIZPEEKO-UHFFFAOYSA-N
-rxn:5:181908:225832:222957,Cc1cc(-c2cc(C3OCCO3)c(C)cc2-c2c(C)nn(C3CCCCO3)c2C)cc(C2CCCNC2)c1,RXUFVEXTUVHBIT-UHFFFAOYSA-N
-rxn:5:181908:225884:226652,Cc1cc(-c2cc(C3OCCO3)c(C)cc2-c2ccc(C3COCCO3)c(F)c2)n(C2CCCCO2)n1,UOLVDTVTZNIPAM-UHFFFAOYSA-N
-rxn:5:181908:227611:225607,Cc1cc(-c2ccnn2C2CCCCO2)c(-c2ccc(C(C)N3CCCCC3)s2)cc1C1OCCO1,SSSNTCXSDCSYPC-UHFFFAOYSA-N
-rxn:5:182010:225451:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(C2CCOCC2)c(-c2ccc(SC3CCCCC3)cc2)c1,OZPJLOYJHDFHDR-UHFFFAOYSA-N
-rxn:5:182010:226028:225812,Cc1cc(-c2ccc(C3CCOCC3)c(-c3ccc(C(F)(F)F)c(C#N)c3F)c2)c(F)c(OC(C)C)c1F,OCHNUIYEKSXBHM-UHFFFAOYSA-N
-rxn:5:182011:222958:225466,Cc1ccc(-c2ccc(C3CCOCC3)cc2-c2ccc(N3CCCCC3C)cc2)cc1C1CCNCC1,ZXULHAKOZAULME-UHFFFAOYSA-N
-rxn:5:182011:222960:225636,Cc1cc(-c2ccc(C3CCOCC3)cc2-c2ccnc(N3CCC(C)CC3)c2)cc(C2CCNCC2)c1,ARGPEZVJWLOGJQ-UHFFFAOYSA-N
-rxn:5:182012:225832:225453,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2cccc(SC3CCCCC3)c2)c(C2CCCOC2)c1,MUAOYDCTMJYRQK-UHFFFAOYSA-N
-rxn:5:182012:225832:225988,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2c(F)cc(C3OCCO3)cc2F)c(C2CCCOC2)c1,ALAZSESICLKWMI-UHFFFAOYSA-N
-rxn:5:182013:223001:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(-c2cc(C3CCCNC3)ccc2F)cc1C1CCOCC1,WRQSAPVLMYEJQV-UHFFFAOYSA-N
-rxn:5:182013:225636:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(-c2ccnc(N3CCC(C)CC3)c2)cc1C1CCOCC1,QZGUWNDRXYBCBO-UHFFFAOYSA-N
-rxn:5:183189:225832:227119,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2cc(C3CCCCC3)cs2)cc2c1OC(C)(C)OC2,YPGIQQNFHMEJQS-UHFFFAOYSA-N
-rxn:5:183189:226183:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc2c(c(-c3cnccc3C3CCCCC3)c1)OC(C)(C)OC2,BKBSPUKLLKVQBS-UHFFFAOYSA-N
-rxn:5:188930:223139:226794,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccc(C3CCNCC3)nc2)cc1-c1cnc(N2CCSCC2)nc1,CCXLOWVCFXFKOA-UHFFFAOYSA-N
-rxn:5:188931:226177:226177,COC(=O)c1cc(-c2ccnc(C3CCCCC3)c2)cc(S(N)(=O)=O)c1-c1ccnc(C2CCCCC2)c1,RFSYBXAESUMFME-UHFFFAOYSA-N
-rxn:5:188931:226182:225674,COC(=O)c1cc(-c2cccnc2C2CCCCC2)cc(S(N)(=O)=O)c1-c1cnc(C2CCCCC2)cc1F,GVCNXCVPZNHLDZ-UHFFFAOYSA-N
-rxn:5:188931:226374:226177,COC(=O)c1cc(-c2cncnc2C2CCCCC2)cc(S(N)(=O)=O)c1-c1ccnc(C2CCCCC2)c1,DHUPRAGMXDIXMJ-UHFFFAOYSA-N
-rxn:5:189001:225879:225980,COC(=O)C1(c2nc(-c3cc(N4CCOCC4)ncc3F)ccc2-c2ccc(N3CCOCC3)cc2F)CC1,FCAQPZINRXHAGQ-UHFFFAOYSA-N
-rxn:5:189001:225976:225976,COC(=O)C1(c2nc(-c3ccnc(N4CCOCC4)c3F)ccc2-c2ccnc(N3CCOCC3)c2F)CC1,DKNDTYPUDAAWSO-UHFFFAOYSA-N
-rxn:5:189001:225980:225879,COC(=O)C1(c2nc(-c3ccc(N4CCOCC4)cc3F)ccc2-c2cc(N3CCOCC3)ncc2F)CC1,KIPKCOIRTBLAAL-UHFFFAOYSA-N
-rxn:5:189083:225601:223058,CCN(C)C(=O)c1cccc(-c2ccc(C3(C#N)CCC3)cc2F)c1-c1cc(F)nc(C2CCCNC2)c1,QLFXYGMEKYXYHH-UHFFFAOYSA-N
-rxn:5:189083:225601:223063,CCN(C)C(=O)c1cccc(-c2ccc(C3(C#N)CCC3)cc2F)c1-c1cc(F)nc(C2CCNCC2)c1,LRJVZWRHUSZWEN-UHFFFAOYSA-N
-rxn:5:189083:225603:223063,CCN(C)C(=O)c1cccc(-c2cccc(C3(C#N)CCC3)c2F)c1-c1cc(F)nc(C2CCNCC2)c1,REWZQVMZIKIABJ-UHFFFAOYSA-N
-rxn:5:189207:226366:228877,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccnc(N3CCCCC3)c2)ccc1-c1ccnn1C1CC1F,FLTKVUATMIWWBH-UHFFFAOYSA-N
-rxn:5:189209:223354:226783,CNC(=O)c1ccc(-c2cc(C(=O)ON3C(=O)CCC3=O)cc(-c3c(OC)cc(F)c(F)c3OC)c2)cc1,YMESDCBDACHXGD-UHFFFAOYSA-N
-rxn:5:189209:226188:225622,Cc1cc([Si](C)(C)C)c(C)cc1-c1cc(C(=O)ON2C(=O)CCC2=O)cc(-c2ccccc2OC2CCCCO2)c1,DDEFLOVMLSBQJC-UHFFFAOYSA-N
-rxn:5:189212:226974:223062,CC1(C)OCc2cc(-c3cc(C(=O)ON4C(=O)CCC4=O)ccc3-c3cnc(C4CCNCC4)cc3F)ccc21,QVLBEIKKBDFRQT-UHFFFAOYSA-N
-rxn:5:189320:223065:226664,CC(C)(C)OC(=O)c1cnc(-c2cc(N3CCCC3)ncc2F)c(-c2ccc(N3CCNCC3)cc2F)c1,UOUAHRWXRSSQMX-UHFFFAOYSA-N
-rxn:5:189320:225833:225589,CC(C)(C)OC(=O)c1cnc(-c2ccc(CN3CCSCC3)cc2)c(-c2ccnc(N3CCCCC3)c2F)c1,ZAWYJCQDEIUVSE-UHFFFAOYSA-N
-rxn:5:189320:225833:225598,CC(C)(C)OC(=O)c1cnc(-c2cccc(CN3CCSCC3)c2)c(-c2ccnc(N3CCCCC3)c2F)c1,SBTGIOKLYCMSDG-UHFFFAOYSA-N
-rxn:5:189320:225833:226414,CC(C)(C)OC(=O)c1cnc(-c2ccc(C3=NCCCO3)cc2)c(-c2ccnc(N3CCCCC3)c2F)c1,FTOCPJPRHFIEJH-UHFFFAOYSA-N
-rxn:5:189320:225834:225589,CC(C)(C)OC(=O)c1cnc(-c2ccc(CN3CCSCC3)cc2)c(-c2cc(N3CCCCC3)ncc2F)c1,SLVNAEDNDCLIPH-UHFFFAOYSA-N
-rxn:5:189320:225834:225598,CC(C)(C)OC(=O)c1cnc(-c2cccc(CN3CCSCC3)c2)c(-c2cc(N3CCCCC3)ncc2F)c1,NFMPPRFTIAMWOZ-UHFFFAOYSA-N
-rxn:5:189320:225834:226414,CC(C)(C)OC(=O)c1cnc(-c2ccc(C3=NCCCO3)cc2)c(-c2cc(N3CCCCC3)ncc2F)c1,GWGTYIKXUFWILS-UHFFFAOYSA-N
-rxn:5:189320:225849:225589,CC(C)(C)OC(=O)c1cnc(-c2ccc(CN3CCSCC3)cc2)c(-c2cnc(N3CCCCC3)cc2F)c1,QAEKKBVVCMCBNK-UHFFFAOYSA-N
-rxn:5:189320:225872:226663,CC(C)(C)OC(=O)c1cnc(-c2ccc(N3CCSCC3)nc2)c(-c2cc(F)c(F)c(N3CCCC3)c2)c1,UGNVEUIPNSXUDQ-UHFFFAOYSA-N
-rxn:5:189320:225879:226663,CC(C)(C)OC(=O)c1cnc(-c2ccc(N3CCSCC3)nc2)c(-c2ccc(N3CCOCC3)cc2F)c1,MXGNOFLWPUHWHE-UHFFFAOYSA-N
-rxn:5:189320:226658:225598,CC(C)(C)OC(=O)c1cnc(-c2cccc(CN3CCSCC3)c2)c(-c2ccc(N3CCCC3)nc2F)c1,DOEUGJUVROFAHR-UHFFFAOYSA-N
-rxn:5:189320:226664:223065,CC(C)(C)OC(=O)c1cnc(-c2ccc(N3CCNCC3)cc2F)c(-c2cc(N3CCCC3)ncc2F)c1,POFDOGRTVYWANF-UHFFFAOYSA-N
-rxn:5:189320:226664:225588,CC(C)(C)OC(=O)c1cnc(-c2ccccc2CN2CCSCC2)c(-c2cc(N3CCCC3)ncc2F)c1,PLFOPBXNRIKZCF-UHFFFAOYSA-N
-rxn:5:189322:225872:226663,CC(C)(C)OC(=O)c1cc(-c2cc(F)c(F)c(N3CCCC3)c2)cnc1-c1ccc(N2CCSCC2)nc1,WLSGRNPILSGISC-UHFFFAOYSA-N
-rxn:5:189322:226663:225834,CC(C)(C)OC(=O)c1cc(-c2ccc(N3CCSCC3)nc2)cnc1-c1cc(N2CCCCC2)ncc1F,UTCQPRMPEYSPON-UHFFFAOYSA-N
-rxn:5:189322:226663:225849,CC(C)(C)OC(=O)c1cc(-c2ccc(N3CCSCC3)nc2)cnc1-c1cnc(N2CCCCC2)cc1F,XZKPYJACZUNQGT-UHFFFAOYSA-N
-rxn:5:189322:226663:225872,CC(C)(C)OC(=O)c1cc(-c2ccc(N3CCSCC3)nc2)cnc1-c1cc(F)c(F)c(N2CCCC2)c1,DJWNEUYHTLQMEG-UHFFFAOYSA-N
-rxn:5:189322:226794:225679,CC(C)(C)OC(=O)c1cc(-c2cnc(N3CCSCC3)nc2)cnc1-c1ccc(N2CCCCC2)cc1F,VBSITWPBLDXBTR-UHFFFAOYSA-N
-rxn:5:189323:223065:226664,CC(C)(C)OC(=O)c1cc(-c2cc(N3CCCC3)ncc2F)ncc1-c1ccc(N2CCNCC2)cc1F,LSZURGXHGJYZDT-UHFFFAOYSA-N
-rxn:5:189323:225679:226663,CC(C)(C)OC(=O)c1cc(-c2ccc(N3CCSCC3)nc2)ncc1-c1ccc(N2CCCCC2)cc1F,VJGKDTBDWSCGPR-UHFFFAOYSA-N
-rxn:5:189323:226663:225679,CC(C)(C)OC(=O)c1cc(-c2ccc(N3CCCCC3)cc2F)ncc1-c1ccc(N2CCSCC2)nc1,FJNZIPNDHMNDBO-UHFFFAOYSA-N
-rxn:5:189334:222995:226664,CC(C)(C)OC(=O)c1ncc(-c2cccc(N3CCCC(O)C3)c2)cc1-c1cc(N2CCCC2)ncc1F,JNCQWTQNTZBAII-UHFFFAOYSA-N
-rxn:5:189334:223065:226664,CC(C)(C)OC(=O)c1ncc(-c2ccc(N3CCNCC3)cc2F)cc1-c1cc(N2CCCC2)ncc1F,MKDLDIYSCYZFOK-UHFFFAOYSA-N
-rxn:5:189334:223143:225833,CC(C)(C)OC(=O)c1ncc(-c2cccc(N3CCC(O)C3)c2)cc1-c1ccnc(N2CCCCC2)c1F,BMRGFWSGQRSFSL-UHFFFAOYSA-N
-rxn:5:189334:223143:225834,CC(C)(C)OC(=O)c1ncc(-c2cccc(N3CCC(O)C3)c2)cc1-c1cc(N2CCCCC2)ncc1F,GCKJRWKWGKKQNS-UHFFFAOYSA-N
-rxn:5:189334:223144:225833,CC(C)(C)OC(=O)c1ncc(-c2ccc(N3CCC(O)C3)cc2)cc1-c1ccnc(N2CCCCC2)c1F,OAPHVZDLHPCTJD-UHFFFAOYSA-N
-rxn:5:189334:225589:225833,CC(C)(C)OC(=O)c1ncc(-c2ccc(CN3CCSCC3)cc2)cc1-c1ccnc(N2CCCCC2)c1F,FNNISRMUFBPSHS-UHFFFAOYSA-N
-rxn:5:189334:226431:225833,CC(C)(C)OC(=O)c1ncc(-c2ccc(N3CCCC3)c(F)c2)cc1-c1ccnc(N2CCCCC2)c1F,IUDLMOODIKTKQW-UHFFFAOYSA-N
-rxn:5:189334:226431:225976,CC(C)(C)OC(=O)c1ncc(-c2ccc(N3CCCC3)c(F)c2)cc1-c1ccnc(N2CCOCC2)c1F,WCODUMISNFPPAO-UHFFFAOYSA-N
-rxn:5:189334:226664:223065,CC(C)(C)OC(=O)c1ncc(-c2cc(N3CCCC3)ncc2F)cc1-c1ccc(N2CCNCC2)cc1F,SCUKBXDHJXKLEA-UHFFFAOYSA-N
-rxn:5:189666:226058:226062,CC(C)c1cc(-c2ccc(/C=N/[S@](=O)C(C)(C)C)cc2-c2c(C(C)C)cccc2C(C)C)cc(C(C)C)c1,SABDHUPWHSBTBY-XVNZLDRSSA-N
-rxn:5:189667:222413:225803,Cc1cc(S(N)(=O)=O)ccc1-c1cc(/C=N/[S@@](=O)C(C)(C)C)cc(-c2ccnc(OC3CCOCC3)c2)c1,HLMLOZWQRMVKHC-GLQYLJCDSA-N
-rxn:5:189667:225450:227045,CC(C)(C)Sc1cccc(-c2cc(/C=N/[S@@](=O)C(C)(C)C)cc(-c3ccc(C(=O)C4CCCC4)cc3)c2)c1,LNIAZDVGJJYFBD-QPKYBZRNSA-N
-rxn:5:189673:226611:226768,CCc1ccc(C(F)(F)F)cc1-c1ccc(/C=N/S(=O)C(C)(C)C)c(-c2ccc(SC)c(C(F)(F)F)c2)c1,WVZGSONPKXFZEE-QNVXDBMFSA-N
-rxn:5:189674:225450:227045,CC(C)(C)Sc1cccc(-c2ccc(/C=N/S(=O)C(C)(C)C)c(-c3ccc(C(=O)C4CCCC4)cc3)c2)c1,WVZWQNKYKVQROF-PPOKSSTKSA-N
-rxn:5:189676:225451:227349,COc1cc(C)cc(-c2ccc(CC(=O)N3CCCC3)cc2-c2ccc(SC3CCCCC3)cc2)c1OC,QLIBVXYKVVZSBD-UHFFFAOYSA-N
-rxn:5:189676:225976:225849,O=C(Cc1ccc(-c2cnc(N3CCCCC3)cc2F)c(-c2ccnc(N3CCOCC3)c2F)c1)N1CCCC1,GMNHWGSUSUVCPG-UHFFFAOYSA-N
-rxn:5:189676:226771:226794,COC(=O)c1cc(F)c(F)cc1-c1cc(CC(=O)N2CCCC2)ccc1-c1cnc(N2CCSCC2)nc1,RZVWMGJPOADEGL-UHFFFAOYSA-N
-rxn:5:189826:225439:225886,CC(c1cccc(-c2cc(-c3ccc4c(ccn4S(C)(=O)=O)c3)ccc2CC(=O)N2CCOCC2)c1)N1CCCC1,SUESIOGLQQXZBS-UHFFFAOYSA-N
-rxn:5:189826:226772:223294,COC(=O)c1cc(F)c(-c2cc(-c3csc(N4CCNCC4)n3)ccc2CC(=O)N2CCOCC2)c(F)c1,GMVHXPWDRCHEHS-UHFFFAOYSA-N
-rxn:5:189826:227696:223294,COC(=O)c1ccc(-c2cc(-c3csc(N4CCNCC4)n3)ccc2CC(=O)N2CCOCC2)c(F)n1,CSJTZRKMUBEIBW-UHFFFAOYSA-N
-rxn:5:189909:225976:225976,Fc1c(-c2ccc(-c3ccnc(N4CCOCC4)c3F)c(CCN3CCOCC3)c2)ccnc1N1CCOCC1,VDKXVCBPGOYHCD-UHFFFAOYSA-N
-rxn:5:189909:226395:226644,c1cc(-c2cncc(N3CCCCC3)c2)c(CCN2CCOCC2)cc1-c1cncc(N2CCOCC2)c1,ZYFXSKRIEZCKTG-UHFFFAOYSA-N
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-rxn:5:189952:225637:226139,COc1c(-c2ccccc2N2CCN(C)CC2)cc(C(=O)N2CCOCC2)cc1-c1cc(C2CC2)cnc1C1CC1,SXMFGYZCNHHCLL-UHFFFAOYSA-N
-rxn:5:189952:227968:226366,COc1c(-c2ccnc(N3CCCCC3)c2)cc(C(=O)N2CCOCC2)cc1-c1cnccc1C1CCC1,RQYIUTKQABBDES-UHFFFAOYSA-N
-rxn:5:190000:225625:226920,Cc1ccc(C(C)(C)C)cc1-c1ccc(CC(=O)N2CCCCC2)c(-c2cc(OC3CCCC3)ccc2F)c1,JTBHCGYDPCLSTL-UHFFFAOYSA-N
-rxn:5:190000:226190:227052,CC(C)(C)Sc1ccc(-c2ccc(CC(=O)N3CCCCC3)c(-c3ccc(C4CCCC4)cc3F)c2)cc1,JPSAMRDOUMLIIN-UHFFFAOYSA-N
-rxn:5:190000:226319:226062,CC(C)c1cc(-c2ccc(CC(=O)N3CCCCC3)c(-c3ccc(C(=O)N4CCC4)cc3)c2)cc(C(C)C)c1,XUWRBICAAJTNQW-UHFFFAOYSA-N
-rxn:5:190000:227045:227103,CC(C)(C)Sc1cccc(-c2cc(-c3sccc3C3CCCCC3)ccc2CC(=O)N2CCCCC2)c1,OXCWVDPDUZWBAM-UHFFFAOYSA-N
-rxn:5:190000:227668:226794,COc1c(F)cc(-c2cc(-c3cnc(N4CCSCC4)nc3)ccc2CC(=O)N2CCCCC2)c(C)c1F,NEUKBMLQMMUJET-UHFFFAOYSA-N
-rxn:5:190000:227675:226794,COc1cc(-c2cc(-c3cnc(N4CCSCC4)nc3)ccc2CC(=O)N2CCCCC2)c(F)c(F)c1C,QHMZZSWFNJHQMX-UHFFFAOYSA-N
-rxn:5:190000:228146:225453,CCc1cncc(-c2cc(-c3cccc(SC4CCCCC4)c3)ccc2CC(=O)N2CCCCC2)c1OC,RQPBPSASHSKIAQ-UHFFFAOYSA-N
-rxn:5:190001:223294:227415,CC(C)(C)c1ccc(-c2ccc(CC(=O)N3CCCCC3)cc2-c2csc(N3CCNCC3)n2)c(F)n1,NHFWEVLSSSVBHC-UHFFFAOYSA-N
-rxn:5:190001:225451:227592,COc1cc(F)cc(-c2ccc(CC(=O)N3CCCCC3)cc2-c2ccc(SC3CCCCC3)cc2)c1OC,PDCUPRYMVXLQBC-UHFFFAOYSA-N
-rxn:5:190001:226150:227053,CC(C)(C)Oc1cccc(-c2ccc(CC(=O)N3CCCCC3)cc2-c2cccc(SC3CCCC3)c2)c1,KJRVPMJDNJYTNG-UHFFFAOYSA-N
-rxn:5:190001:226794:227668,COc1c(F)cc(-c2ccc(CC(=O)N3CCCCC3)cc2-c2cnc(N3CCSCC3)nc2)c(C)c1F,GWSZPXDXENMNEM-UHFFFAOYSA-N
-rxn:5:190001:226794:227675,COc1cc(-c2ccc(CC(=O)N3CCCCC3)cc2-c2cnc(N3CCSCC3)nc2)c(F)c(F)c1C,SSGGMAOACOVAGH-UHFFFAOYSA-N
-rxn:5:190001:227415:223294,CC(C)(C)c1ccc(-c2cc(CC(=O)N3CCCCC3)ccc2-c2csc(N3CCNCC3)n2)c(F)n1,JQBJSUQHEYTLAL-UHFFFAOYSA-N
-rxn:5:190001:227668:226794,COc1c(F)cc(-c2cc(CC(=O)N3CCCCC3)ccc2-c2cnc(N3CCSCC3)nc2)c(C)c1F,HKGPATVHSRQUFG-UHFFFAOYSA-N
-rxn:5:190001:227675:226794,COc1cc(-c2cc(CC(=O)N3CCCCC3)ccc2-c2cnc(N3CCSCC3)nc2)c(F)c(F)c1C,VDUARVTYWKFGPJ-UHFFFAOYSA-N
-rxn:5:190097:226794:226769,COC(=O)c1cc(F)c(F)c(-c2ccc(-c3cnc(N4CCSCC4)nc3)cc2CCN2CCCCC2)c1,ZWEJWOJNBLUFNG-UHFFFAOYSA-N
-rxn:5:190097:226794:226771,COC(=O)c1cc(F)c(F)cc1-c1ccc(-c2cnc(N3CCSCC3)nc2)cc1CCN1CCCCC1,WYYXVJSCNDUSFB-UHFFFAOYSA-N
-rxn:5:190097:226794:226772,COC(=O)c1cc(F)c(-c2ccc(-c3cnc(N4CCSCC4)nc3)cc2CCN2CCCCC2)c(F)c1,YDVKQIZWLAXKAE-UHFFFAOYSA-N
-rxn:5:190127:223007:228541,COC1CCN(C(=O)c2cc(-c3cc(F)cc(C4CCNCC4)c3)ccc2-c2ccc3c(c2)COC3)CC1,DEGRNXMYLRBIME-UHFFFAOYSA-N
-rxn:5:190128:227349:226150,COc1cc(C)cc(-c2ccc(C(=O)N3CCC(OC)CC3)cc2-c2cccc(SC3CCCC3)c2)c1OC,PTIUCJWQTYGDLQ-UHFFFAOYSA-N
-rxn:5:190131:226062:225886,COc1c(-c2cc(C(C)C)cc(C(C)C)c2)cc(C(=O)N2CCCCC2)cc1-c1ccc2c(ccn2S(C)(=O)=O)c1,LVGWCQPKBBKELY-UHFFFAOYSA-N
-rxn:5:190131:226794:228323,CCOc1nccc(-c2cc(C(=O)N3CCCCC3)cc(-c3cnc(N4CCSCC4)nc3)c2OC)c1F,SFCJKIXYSDWLHH-UHFFFAOYSA-N
-rxn:5:190131:228323:226794,CCOc1nccc(-c2cc(C(=O)N3CCCCC3)cc(-c3cnc(N4CCSCC4)nc3)c2OC)c1F,SFCJKIXYSDWLHH-UHFFFAOYSA-N
-rxn:5:190132:225407:228558,CCSc1cccc(-c2cc(-c3ccc(C4CCCCCC4)cc3)ccc2C(=O)N2CCC(OC)CC2)c1,GHGKCLVAQBEBSA-UHFFFAOYSA-N
-rxn:5:190132:225886:225407,COC1CCN(C(=O)c2ccc(-c3ccc4c(ccn4S(C)(=O)=O)c3)cc2-c2ccc(C3CCCCCC3)cc2)CC1,PKLMVTXTGMZQNP-UHFFFAOYSA-N
-rxn:5:190194:227935:225590,CCc1cc(-c2cccc(CN3CCC(OC)CC3)c2-c2ccc(CN3CCCC3)c(F)c2)ccc1OC,ZXKVVWCVIPONED-UHFFFAOYSA-N
-rxn:5:190195:227666:223294,CC(=O)c1ccc(-c2ccc(CN(C)C3CCOCC3)cc2-c2csc(N3CCNCC3)n2)c(F)c1F,NAVZLLXETJHIJJ-UHFFFAOYSA-N
-rxn:5:190195:227666:226794,CC(=O)c1ccc(-c2ccc(CN(C)C3CCOCC3)cc2-c2cnc(N3CCSCC3)nc2)c(F)c1F,WWCHXGBRUUCBBK-UHFFFAOYSA-N
-rxn:5:190197:227666:226794,CC(=O)c1ccc(-c2cc(-c3cnc(N4CCSCC4)nc3)ccc2CN(C)C2CCOCC2)c(F)c1F,VLMRTRIGXIAKPX-UHFFFAOYSA-N
-rxn:5:190198:223294:227666,CC(=O)c1ccc(-c2cccc(-c3csc(N4CCNCC4)n3)c2CN(C)C2CCOCC2)c(F)c1F,HAYXRJBPDURBCC-UHFFFAOYSA-N
-rxn:5:190199:222417:223065,CC(C)c1[nH]c(=O)ncc1-c1ccc(-c2ccc(N3CCNCC3)cc2F)cc1CN(C)C1CCOCC1,NBJQWGILFMASOH-UHFFFAOYSA-N
-rxn:5:190199:223113:223062,CN(Cc1cc(-c2cnc(C3CCNCC3)cc2F)ccc1-c1ccc2c(c1)C(C)(C)C(=O)N2)C1CCOCC1,MJWHVQXGDLCMDP-UHFFFAOYSA-N
-rxn:5:190199:225881:222417,CC(C)c1[nH]c(=O)ncc1-c1ccc(-c2ccc(C3CCOCC3)nc2F)c(CN(C)C2CCOCC2)c1,XLSZSFXGLKLBQU-UHFFFAOYSA-N
-rxn:5:190199:227667:223294,CC(=O)c1ccc(F)c(-c2ccc(-c3csc(N4CCNCC4)n3)cc2CN(C)C2CCOCC2)c1F,XGNCAJWJEMUYKT-UHFFFAOYSA-N
-rxn:5:190200:223294:227666,CC(=O)c1ccc(-c2cc(CN(C)C3CCOCC3)cc(-c3csc(N4CCNCC4)n3)c2)c(F)c1F,IANWAMCSTKHHJS-UHFFFAOYSA-N
-rxn:5:190200:227381:225803,CN(Cc1cc(-c2cnc(C3CCCC3)nc2)cc(-c2ccnc(OC3CCOCC3)c2)c1)C1CCOCC1,QEWSXDFLFSDQBC-UHFFFAOYSA-N
-rxn:5:190201:222417:226571,CC1CN(CCc2cc(-c3cnc(=O)[nH]c3C(C)C)ccc2-c2cnn(CC3CCOCC3)c2)CCO1,NCIHMEAGSBLVPD-UHFFFAOYSA-N
-rxn:5:190231:227346:228211,CCCc1cc(F)c(-c2cc(C(=O)N3CCOC(C)C3)cc(-c3cc(N4CCCC4)cs3)c2OC)c(F)c1,QPFOSRJDWNWBQA-UHFFFAOYSA-N
-rxn:5:190264:226910:227052,CCC(C)(C)c1ccc(-c2cc(CC(=O)N3CCC(C)CC3)ccc2-c2ccc(SC(C)(C)C)cc2)cc1,LLZNFJHUJCGWOP-UHFFFAOYSA-N
-rxn:5:190265:225445:225886,CC1CCCN(C(=O)Cc2ccc(-c3ccc4c(ccn4S(C)(=O)=O)c3)c(-c3ccccc3OC3CCCCC3)c2)C1,MXCKLDATFMSBPT-UHFFFAOYSA-N
-rxn:5:190265:225834:228577,CC#Cc1cncc(-c2ccc(CC(=O)N3CCCC(C)C3)cc2-c2cc(N3CCCCC3)ncc2F)c1,UMSZFAOSSYVRJG-UHFFFAOYSA-N
-rxn:5:190265:225849:228577,CC#Cc1cncc(-c2ccc(CC(=O)N3CCCC(C)C3)cc2-c2cnc(N3CCCCC3)cc2F)c1,KAJGJYJERJBWQV-UHFFFAOYSA-N
-rxn:5:190265:225886:225447,CC1CCCN(C(=O)Cc2ccc(-c3ccc(OC4CCCCC4)cc3)c(-c3ccc4c(ccn4S(C)(=O)=O)c3)c2)C1,ISUJCPHHNXICOV-UHFFFAOYSA-N
-rxn:5:190265:226179:225886,CC1CCCN(C(=O)Cc2ccc(-c3ccc4c(ccn4S(C)(=O)=O)c3)c(-c3cncc(C4CCCCC4)c3)c2)C1,OZFZBGCHULSEQN-UHFFFAOYSA-N
-rxn:5:190265:227906:223006,CCC(C)c1ncccc1-c1cc(CC(=O)N2CCCC(C)C2)ccc1-c1ccc(F)c(C2CCNCC2)c1,OIDHYERXUIRMMY-UHFFFAOYSA-N
-rxn:5:190265:228577:225833,CC#Cc1cncc(-c2cc(CC(=O)N3CCCC(C)C3)ccc2-c2ccnc(N3CCCCC3)c2F)c1,QUJWVVZMTBWMTL-UHFFFAOYSA-N
-rxn:5:190265:228577:225849,CC#Cc1cncc(-c2cc(CC(=O)N3CCCC(C)C3)ccc2-c2cnc(N3CCCCC3)cc2F)c1,QKXLFXTYRVCAOU-UHFFFAOYSA-N
-rxn:5:190308:225886:225445,CC1CCCN(CCc2cc(-c3ccc4c(ccn4S(C)(=O)=O)c3)ccc2-c2ccccc2OC2CCCCC2)C1,SWDLFYWMBCVPTN-UHFFFAOYSA-N
-rxn:5:190309:225886:225453,CC1CCCCN1CCc1cc(-c2ccc3c(ccn3S(C)(=O)=O)c2)ccc1-c1cccc(SC2CCCCC2)c1,RIGOXUVTABWWGB-UHFFFAOYSA-N
-rxn:5:190335:226216:225654,COc1ccc2ncc(-c3cc(C(=O)N4CCCCC4C)cc(-c4ccc(N5CCCC(C)C5)nc4)c3OC)cc2c1,SAZSCCCQVGRFNP-UHFFFAOYSA-N
-rxn:5:190336:225498:227922,CCc1cc(OC)ccc1-c1cc(C(=O)N2CCCC(C)C2)cc(-c2cc(C3CCCCC3)ccc2F)c1OC,BKTRTQWXODSGNK-UHFFFAOYSA-N
-rxn:5:190418:223138:227352,COC(=O)c1ccc(C)cc1-c1ccc(N2C(=O)CC(Cc3ccc(-c4ccnc(C5CCNCC5)c4)cc3)C2=O)c(C)c1,HTPCAEKHAJAIQF-UHFFFAOYSA-N
-rxn:5:190459:225462:225886,CC1CCN(c2cccc(-c3ccccc3C(=O)N3CCSC(c4ccccc4-c4ccc5c(ccn5S(C)(=O)=O)c4)CC3)c2)CC1,XNWCHDDPQPJNRE-UHFFFAOYSA-N
-rxn:5:190459:226588:226042,O=C(c1ccccc1-c1cc(OC2CCC2)ncc1F)N1CCSC(c2ccccc2-c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1,BXKVBYMZUGMHIG-UHFFFAOYSA-N
-rxn:5:190484:225440:227861,N#CC1(c2ccc(-c3cccc(C(=O)N4CCC(c5ccccc5-c5cnc6c(c5)CCCC6)S(=O)(=O)CC4)c3)cc2)CCCC1,YPRVIQMUBRCCRY-UHFFFAOYSA-N
-rxn:5:190484:225450:226183,O=C(c1ccc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4cnccc4C4CCCCC4)S(=O)(=O)CC3)c2)cc1)C1CCCC1,WSKIMVAQJCKPMZ-UHFFFAOYSA-N
-rxn:5:190484:226059:228713,CC(C)c1ccc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4ccn(C(C)(C)C)n4)S(=O)(=O)CC3)c2)c(C(C)C)c1,ZHKJGWUGHJKDBB-UHFFFAOYSA-N
-rxn:5:190484:226068:226974,Cc1cc(C(C)(C)C)cc(C)c1-c1cccc(C(=O)N2CCC(c3ccccc3-c3ccc4c(c3)COC4(C)C)S(=O)(=O)CC2)c1,WAWMXXALAGOOPW-UHFFFAOYSA-N
-rxn:5:190484:226179:228504,O=C(c1cccc(-c2cncc(C3CCCCC3)c2)c1)N1CCC(c2ccccc2-c2cccc3c2CCC3)S(=O)(=O)CC1,GCUBUONHKADHET-UHFFFAOYSA-N
-rxn:5:190484:227449:227438,O=C(c1cccc(-c2ccc(C3CCOCC3)s2)c1)N1CCC(c2ccccc2-c2ccnc(C3CCOC3)c2)S(=O)(=O)CC1,ODSQWIRMHQEHLF-UHFFFAOYSA-N
-rxn:5:190484:227944:226969,CC(C)(C)c1cncc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4ccc5c(c4)CCCC5=O)S(=O)(=O)CC3)c2)c1,XJSZAUQTUZZHOB-UHFFFAOYSA-N
-rxn:5:190484:228021:227103,CC(=O)c1cc(C)cc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4sccc4C4CCCCC4)S(=O)(=O)CC3)c2)c1,SGCBGELYCUQCPZ-UHFFFAOYSA-N
-rxn:5:190484:228586:226176,CC(C)c1ncccc1-c1cccc(C(=O)N2CCC(c3ccccc3-c3ccncc3C3CCCCC3)S(=O)(=O)CC2)c1,JFAYSLVMZQODGH-UHFFFAOYSA-N
-rxn:5:190484:228929:227103,O=C(c1cccc(-c2cncc(C(F)F)c2)c1)N1CCC(c2ccccc2-c2sccc2C2CCCCC2)S(=O)(=O)CC1,PQMKXFDUXMDECF-UHFFFAOYSA-N
-rxn:5:190532:225607:225833,CCOC(=O)c1sc2c(-c3ccc(C(C)N4CCCCC4)s3)nccc2c1-c1ccnc(N2CCCCC2)c1F,FJYPVSJVXUPYNR-UHFFFAOYSA-N
-rxn:5:190532:225607:225834,CCOC(=O)c1sc2c(-c3ccc(C(C)N4CCCCC4)s3)nccc2c1-c1cc(N2CCCCC2)ncc1F,KHQMFHCMMNTGSM-UHFFFAOYSA-N
-rxn:5:190532:225943:225833,CCOC(=O)c1sc2c(-c3ccc(C(=O)N4CCOCC4)s3)nccc2c1-c1ccnc(N2CCCCC2)c1F,SJNVJKOUFQIXOP-UHFFFAOYSA-N
-rxn:5:190532:225943:225834,CCOC(=O)c1sc2c(-c3ccc(C(=O)N4CCOCC4)s3)nccc2c1-c1cc(N2CCCCC2)ncc1F,VIPXTAMMTPXSAQ-UHFFFAOYSA-N
-rxn:5:190532:225943:225849,CCOC(=O)c1sc2c(-c3ccc(C(=O)N4CCOCC4)s3)nccc2c1-c1cnc(N2CCCCC2)cc1F,JTHIEYKVNRZQRC-UHFFFAOYSA-N
-rxn:5:190645:225607:225671,CCOC(=O)c1cnc2ccc(-c3ccc(C(C)N4CCCCC4)s3)cc2c1-c1cc(C2CCCCC2)ncc1F,OVWHTSLAMZEPNQ-UHFFFAOYSA-N
-rxn:5:190649:225607:225671,CCOC(=O)c1cnc2cc(-c3ccc(C(C)N4CCCCC4)s3)ccc2c1-c1cc(C2CCCCC2)ncc1F,BKAGNCSVISZPPK-UHFFFAOYSA-N
-rxn:5:190651:225633:223054,CCOC(=O)c1cc(-c2ccc(N3CCCCCC3)nc2)c2nccc(-c3ccc(C(C)N4CCC(O)C4)s3)c2c1,MVAXFCJJPNMKPJ-UHFFFAOYSA-N
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-rxn:5:190740:226429:225834,CCOC(=O)c1cnc2c(C)cc(-c3ccc(N4CCCC(C)C4)s3)cc2c1-c1cc(N2CCCCC2)ncc1F,YSESRQIVUGXXIW-UHFFFAOYSA-N
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-rxn:5:190742:226429:225834,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(N4CCCC(C)C4)s3)c2c1-c1cc(N2CCCCC2)ncc1F,XUBNANKEJDDOMZ-UHFFFAOYSA-N
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-rxn:5:190744:225833:225808,CCOC(=O)c1cnc2c(-c3ccnc(N4CCCCC4)c3F)c(C)ccc2c1-c1cc(OC2CCCC2)ncc1F,NNZCREYNGXMHLM-UHFFFAOYSA-N
-rxn:5:190744:225849:225633,CCOC(=O)c1cnc2c(-c3cnc(N4CCCCC4)cc3F)c(C)ccc2c1-c1ccc(N2CCCCCC2)nc1,HGZZBEGCBPQQGO-UHFFFAOYSA-N
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-rxn:5:190798:225453:226582,CN(C)C(=O)c1ccc(-c2ccc3c(c2)c(-c2cccc(SC4CCCCC4)c2)cn3C(=O)OC(C)(C)C)c(F)c1,DDMRPOHCRYUYNF-UHFFFAOYSA-N
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-rxn:5:190859:227579:226601,CCOc1c(F)cc(-c2ccc3c(c2-c2c(OC(C)C)ccc(F)c2F)CCN3C(=O)OC(C)(C)C)cc1F,CYXIHEJODKTIMK-UHFFFAOYSA-N
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-rxn:5:190859:228514:225451,CC(C)(C)OC(=O)N1CCc2c1ccc(-c1cccc(C3CC3)c1)c2-c1ccc(SC2CCCCC2)cc1,YJVYOLSHTWYOQJ-UHFFFAOYSA-N
-rxn:5:190998:226347:227048,COC(=O)c1cc(-c2ccc(C(=O)C(C)C)cc2)ccc1N1Cc2cc(-c3cc(C)c(F)cc3OC(C)C)ccc2OCC1=O,COSZZULEODPNEF-UHFFFAOYSA-N
-rxn:5:190998:227387:227387,COC(=O)c1cc(-c2ccnc(N3CCCC3)c2)ccc1N1Cc2cc(-c3ccnc(N4CCCC4)c3)ccc2OCC1=O,IWHUULXEMZBIPQ-UHFFFAOYSA-N
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-rxn:5:191026:227815:225449,CCC(C)c1ccccc1-c1ccc2c(c1)N(c1ccc(C)c(-c3cccc(OC4CCCCC4)c3)c1)C=C(C(=O)OC)S2(=O)=O,YNARKBKABDRCAU-UHFFFAOYSA-N
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-rxn:5:191049:228177:226141,COCc1ccc(F)cc1-c1ccc2c(c1)CN(c1cc(OC)c(-c3ccccc3OC3CCCC3)cc1OC)C(=O)CO2,HDLZWIOJCQSYFF-UHFFFAOYSA-N
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-rxn:5:193226:222982:226425,CC1CCCCN1c1ccc(-c2cc(C(=O)N3CCOCC3)ccc2-c2ccc(CN3CC[C@@H](O)C3)cc2)s1,FJHGEWODSWOYQZ-IQHZPMLTSA-N
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-rxn:5:193226:226794:223061,O=C(c1ccc(-c2cnc(N3CCSCC3)nc2)c(-c2cc(C3CCNCC3)ncc2F)c1)N1CCOCC1,YTEWFYAYHAGTFF-UHFFFAOYSA-N
-rxn:5:193227:223065:225982,O=C(c1cc(-c2ccc(N3CCNCC3)cc2F)cc(-c2cnc(N3CCOCC3)cc2F)c1)N1CCOCC1,BTXUEYODADQFKZ-UHFFFAOYSA-N
-rxn:5:193229:223141:226644,O=C(c1cccc(-c2cncc(C3CCNCC3)c2)c1-c1cncc(N2CCOCC2)c1)N1CCOCC1,DQLSMJYBVYVYDQ-UHFFFAOYSA-N
-rxn:5:193230:225849:226664,O=C(c1ccc(-c2cnc(N3CCCCC3)cc2F)cc1-c1cc(N2CCCC2)ncc1F)N1CCOCC1,SWLDBDDJXNETKA-UHFFFAOYSA-N
-rxn:5:193333:226686:223135,Cc1cnn(C2CCCCO2)c1-c1ccc(CN2CCOCC2)cc1-c1cccnc1C1CCCNC1,VQPHVKRSSJULQX-UHFFFAOYSA-N
-rxn:5:193333:226686:226069,Cc1cnn(C2CCCCO2)c1-c1ccc(CN2CCOCC2)cc1-c1cccc(C2CCCCC2)c1,QDTGISICHQJPKD-UHFFFAOYSA-N
-rxn:5:193333:226686:227386,Cc1cnn(C2CCCCO2)c1-c1ccc(CN2CCOCC2)cc1-c1cnn(C2CCCCC2)c1,DAULYKXHNITCAV-UHFFFAOYSA-N
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-rxn:5:193382:223240:222988,Cc1cc(-c2cc(-c3ccc(C4CCNC4)nc3)ccc2S(=O)(=O)N2CCOCC2)cc(C2CCNCC2)n1,WGBJSSIVWPJOBM-UHFFFAOYSA-N
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-rxn:5:193382:225636:222956,Cc1ccc(-c2cc(-c3ccnc(N4CCC(C)CC4)c3)ccc2S(=O)(=O)N2CCOCC2)c(C2CCCNC2)c1,XUCFRDZIFNYCQY-UHFFFAOYSA-N
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-rxn:5:193461:225499:226452,O=C(c1ccc(-c2ccc(C3CCCCC3)cc2F)cc1-c1ccc(C2OCCCO2)cc1)N1CCCCC1,ALQDNSOSSJIGRU-UHFFFAOYSA-N
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-rxn:5:193506:225600:229148,O=C1CCN(S(=O)(=O)c2ccc(-c3cccnc3OC3CCCCC3)cc2-c2cnn(CCF)c2)CC1,TZXUNXJZDYEVMX-UHFFFAOYSA-N
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-rxn:5:193711:226582:225985,CN(C)C(=O)c1ccc(-c2ccc(N3C(=O)C(=Cc4ccccc4-c4cccc(N5CCCS5(=O)=O)c4)SC3=S)cc2)c(F)c1,XLSNJDFVTYDOQA-UHFFFAOYSA-N
-rxn:5:193748:223134:225636,CC1CCN(c2cc(-c3ccc(-c4cnccc4C4CCCNC4)cc3C(=O)N3CCCC(C)C3)ccn2)CC1,NMCNDNLINPLZAL-UHFFFAOYSA-N
-rxn:5:193748:226794:227702,COC(=O)c1cnc(F)c(-c2ccc(-c3cnc(N4CCSCC4)nc3)cc2C(=O)N2CCCC(C)C2)c1,QVYSRHXFYXZAID-UHFFFAOYSA-N
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-rxn:5:193749:223189:227714,CC1CCCCN1C(=O)c1cc(-c2ccc(NS(C)(=O)=O)cc2F)ccc1-c1ccc(SC(F)(F)F)cc1,RPOUQSFVYLNMOX-UHFFFAOYSA-N
-rxn:5:193749:226761:223286,CSc1ccc(-c2ccc(-c3cccc(NS(C)(=O)=O)c3)c(C(=O)N3CCCCC3C)c2)c(C(F)(F)F)c1,PJLNWABMUAVBPK-UHFFFAOYSA-N
-rxn:5:193753:225439:225886,CC(c1cccc(-c2cc(C(=O)N3CCCCC3C)cc(-c3ccc4c(ccn4S(C)(=O)=O)c3)c2)c1)N1CCCC1,NCHOLENVAHKHIV-UHFFFAOYSA-N
-rxn:5:193753:225799:225703,COC(=O)c1cc2cc(-c3cc(C(=O)N4CCCCC4C)cc(-c4cncc(OC5CCOCC5)c4)c3)ccc2s1,VBEZFUZDWDUWAV-UHFFFAOYSA-N
-rxn:5:193754:226191:223285,CC1CCN(C(=O)c2cccc(-c3cc(C4CCCC4)ccc3F)c2-c2ccccc2NS(C)(=O)=O)CC1,VPUCSJCLIMJGRM-UHFFFAOYSA-N
-rxn:5:193755:225666:225886,CC1CCCN(C(=O)c2cccc(-c3cc(F)cc(N4CCCCC4)c3)c2-c2ccc3c(ccn3S(C)(=O)=O)c2)C1,FIUWCWPUZNELOM-UHFFFAOYSA-N
-rxn:5:193755:225985:227510,CC1CCCN(C(=O)c2cccc(-c3cccc(N4CCCS4(=O)=O)c3)c2-c2ccc(OC(C)C)nc2F)C1,GGAKPGOVMAPERA-UHFFFAOYSA-N
-rxn:5:193755:226059:227045,CC1CCCN(C(=O)c2cccc(-c3ccc(C(C)C)cc3C(C)C)c2-c2cccc(SC(C)(C)C)c2)C1,BCLVSZDRQWGROL-UHFFFAOYSA-N
-rxn:5:193756:223082:227065,CNS(=O)(=O)c1c(C)cc(-c2ccc(C(=O)N3CCCCC3C)c(-c3cccc(C(=O)C(C)C)c3)c2)cc1C,FBXCNHPMAGTEJB-UHFFFAOYSA-N
-rxn:5:193756:226324:225613,CC1CCCCN1C(=O)c1ccc(-c2cccnc2OC2CCCC2)cc1-c1ccnc(OC2CCCCC2)c1,GGNBSHKCLWYYQY-UHFFFAOYSA-N
-rxn:5:193808:226686:228349,Cc1cnn(C2CCCCO2)c1-c1ccc(-c2cnn(C3CCOC3)c2)c(CN2CCC(C)CC2)c1,DJIQOJXDZLYZAW-UHFFFAOYSA-N
-rxn:5:193809:223186:226686,Cc1cnn(C2CCCCO2)c1-c1cc(-c2cnn(C3CCCCO3)c2)ccc1CN1CCC(C)CC1,ZMYMLMXVYSGUJR-UHFFFAOYSA-N
-rxn:5:193809:223190:225514,CNS(=O)(=O)c1ccc(F)cc1-c1ccc(CN2CCC(C)CC2)c(-c2cccc3c2OCC2(CC2)CO3)c1,WMMPDXCDCMRJFR-UHFFFAOYSA-N
-rxn:5:193809:223241:226686,Cc1cnn(C2CCCCO2)c1-c1cc(-c2cncc(C3CCNC3)c2)ccc1CN1CCC(C)CC1,XOZXGUFKUUSQHZ-UHFFFAOYSA-N
-rxn:5:193809:225944:227185,CC1CCN(Cc2ccc(-c3c(F)cc(F)c(OC(C)C)c3F)cc2-c2ccc3c(c2)N(C)CCO3)CC1,FDOKYMXROOSIDN-UHFFFAOYSA-N
-rxn:5:193809:226686:226919,Cc1cnn(C2CCCCO2)c1-c1ccc(CN2CCC(C)CC2)c(-c2cccc(C3CCCC3)c2)c1,REWKEUUGQXYKMR-UHFFFAOYSA-N
-rxn:5:193866:226212:228181,COCc1cc(F)ccc1-c1cc(C2(N3CCC(=O)CC3)CC2)ccc1-c1ccc2c(c1)CCC2=NOC,QTNPRPAJSKUNNA-UHFFFAOYSA-N
-rxn:5:193867:225407:228003,CSc1cc(C)c(-c2cc(-c3ccc(C4CCCCCC4)cc3)cc(C3(N4CCC(=O)CC4)CC3)c2)c(C)c1,KJHPTXTTXOBGGB-UHFFFAOYSA-N
-rxn:5:193867:225453:227935,CCc1cc(-c2cc(-c3cccc(SC4CCCCC4)c3)cc(C3(N4CCC(=O)CC4)CC3)c2)ccc1OC,CQOKCDQKSZFWGB-UHFFFAOYSA-N
-rxn:5:193867:225498:228148,COc1cccc(-c2cc(-c3cc(C4CCCCC4)ccc3F)cc(C3(N4CCC(=O)CC4)CC3)c2)c1OC,HRDUZVAAEZGEAL-UHFFFAOYSA-N
-rxn:5:193867:226144:228415,C[Si](C)(C)C#Cc1ccc(-c2cc(-c3cc(F)ccc3C(F)F)cc(C3(N4CCC(=O)CC4)CC3)c2)cc1,MUXQHHIAWFPZRB-UHFFFAOYSA-N
-rxn:5:193867:226190:228148,COc1cccc(-c2cc(-c3ccc(C4CCCC4)cc3F)cc(C3(N4CCC(=O)CC4)CC3)c2)c1OC,IEUGZNDPIQMLFV-UHFFFAOYSA-N
-rxn:5:193867:227045:227075,COc1cc(-c2cc(-c3cccc(SC(C)(C)C)c3)cc(C3(N4CCC(=O)CC4)CC3)c2)cc(C(C)C)c1,OGOMIZJAXFTJPQ-UHFFFAOYSA-N
-rxn:5:193868:226137:228369,Cc1ccc([N+](=O)[O-])cc1-c1ccc(-c2cc(C3CC3)cnc2C(C)C)cc1C(=O)N1CC(C)OC(C)C1,CRTXIECNXBEEGP-UHFFFAOYSA-N
-rxn:5:193869:223135:222420,Cc1cc(-c2cccnc2C2CCCNC2)c(S(=O)(=O)N2CCCCC2)cc1-c1ccccc1S(N)(=O)=O,VDYVPYRXFDPKCS-UHFFFAOYSA-N
-rxn:5:193869:225674:227412,Cc1cc(-c2cnc(C3CCCCC3)cc2F)c(S(=O)(=O)N2CCCCC2)cc1-c1cnc(C(C)(C)C)cc1F,IQMPNRWJCWMZLL-UHFFFAOYSA-N
-rxn:5:193869:227390:228381,Cc1cc(-c2ccnn2C2CCCCC2)c(S(=O)(=O)N2CCCCC2)cc1-c1c(F)cc(C#N)cc1F,LBLMOZOAODEPFQ-UHFFFAOYSA-N
-rxn:5:193870:227045:227052,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2ccc(SC(C)(C)C)cc2)cc1-c1cccc(SC(C)(C)C)c1,PPJGRCDWODNFRR-UHFFFAOYSA-N
-rxn:5:193870:228253:226762,CSc1cc(-c2cc(-c3ccc(P(C)(C)=O)cc3)c(C)cc2S(=O)(=O)N2CCCCC2)cc(C(F)(F)F)c1,UBRSRWYRBFHDFM-UHFFFAOYSA-N
-rxn:5:193870:228615:225814,CSc1ccc(C)cc1-c1cc(-c2cccc(C3(C(F)(F)F)CC3)c2)c(S(=O)(=O)N2CCCCC2)cc1C,SAVHDNGLHMISTB-UHFFFAOYSA-N
-rxn:5:193871:226150:227349,COc1cc(C)cc(-c2ccc(C(=O)N3CCC4(CC3)CC4)cc2-c2cccc(SC3CCCC3)c2)c1OC,MOPZLUJAOOAHTI-UHFFFAOYSA-N
-rxn:5:193889:225587:225820,Cc1cc(C)c(S(=O)(=O)c2cccc(-c3cccc(CN4CCOCC4)c3)c2C)c(-c2c(C3CC3)cccc2C(F)(F)F)n1,ZLFFAXZUUWDUSO-UHFFFAOYSA-N
-rxn:5:193912:222988:226427,Cc1cc(-c2ccc(N3C(=O)CS(=O)C(c4ccc(-c5cc(N6CCC(C)CC6)cs5)cc4)C3=O)cc2)cc(C2CCNCC2)n1,RFDXENACMUEIJD-UHFFFAOYSA-N
-rxn:5:193967:225661:225610,Cc1cc(N2CCOCC2)ccc1-c1ccc(CN2CCC3(CC2)OCCO3)c(-c2ccn(C(=O)c3ccccc3)c2)c1,PACLCEOTCNMRPO-UHFFFAOYSA-N
-rxn:5:193968:223016:227207,COC(=O)c1cc(-c2ccc(-c3cccc4c3OCCC4=O)c(CN3CCC4(CC3)OCCO4)c2)cc2[nH]ccc12,QTXUPWKWIUJUAZ-UHFFFAOYSA-N
-rxn:5:193968:227352:227995,COC(=O)c1ccc(C)cc1-c1ccc(-c2cc(C)cc(C)c2OC)c(CN2CCC3(CC2)OCCO3)c1,VTMSWTUHXRHVBK-UHFFFAOYSA-N
-rxn:5:193972:223056:229058,Cc1cc(-c2ccc(N3CCC(O)CC3)nc2)c(S(=O)(=O)N2CCCCCC2)cc1-c1cccnc1C#N,GVWNEIHUKNDACW-UHFFFAOYSA-N
-rxn:5:193972:223343:227045,Cc1cc(-c2ccc3c(c2)NC(=O)C3)c(S(=O)(=O)N2CCCCCC2)cc1-c1cccc(SC(C)(C)C)c1,SVDFTKYEACLWSW-UHFFFAOYSA-N
-rxn:5:193972:225794:229058,Cc1cc(-c2cnc(OC3CCCCC3)nc2)c(S(=O)(=O)N2CCCCCC2)cc1-c1cccnc1C#N,SJAXKHNYOUYCIT-UHFFFAOYSA-N
-rxn:5:193972:226572:228597,Cc1cc(-c2cnc(OC3CCCC3)nc2)c(S(=O)(=O)N2CCCCCC2)cc1-c1c(C)cccc1C#N,PSHBRLXYPZGVJW-UHFFFAOYSA-N
-rxn:5:193972:226794:228716,Cc1cc(-c2cnc(N3CCSCC3)nc2)c(S(=O)(=O)N2CCCCCC2)cc1-c1cnc(C#N)c(C)c1,DBCJDMWSORGXDR-UHFFFAOYSA-N
-rxn:5:193972:226794:228752,Cc1cc(-c2cnc(N3CCSCC3)nc2)c(S(=O)(=O)N2CCCCCC2)cc1-c1cc(F)ccc1C#N,HUUPPVDNYRDLOT-UHFFFAOYSA-N
-rxn:5:193972:227052:227971,Cc1cc(-c2ccc(SC(C)(C)C)cc2)c(S(=O)(=O)N2CCCCCC2)cc1-c1cnccc1C(C)(C)C,MOOUCNVEILEABQ-UHFFFAOYSA-N
-rxn:5:193972:227052:227998,Cc1cc(-c2ccc(SC(C)(C)C)cc2)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc(F)cc1C1CC1,WXVOAFVUDVPLFT-UHFFFAOYSA-N
-rxn:5:193972:227300:228866,COCc1noc(C)c1-c1cc(S(=O)(=O)N2CCCCCC2)c(-c2cncc(OC3CCC3)c2)cc1C,DCOSIPWTRGGJKF-UHFFFAOYSA-N
-rxn:5:193972:227808:226059,Cc1cc(-c2ccc3c(c2)CCCC3)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc(C(C)C)cc1C(C)C,TUGLZEGGSSSWRW-UHFFFAOYSA-N
-rxn:5:193972:228261:227717,CSc1ccc(F)c(C)c1-c1cc(C)c(-c2ccc(F)cc2OC(F)F)cc1S(=O)(=O)N1CCCCCC1,WPTHCHVEASFBTP-UHFFFAOYSA-N
-rxn:5:194058:223065:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc2[nH]cc(OS(=O)(=O)[O-])c2cc1-c1ccc(N2CCNCC2)cc1F,IZDKHIBTSNNLSU-UHFFFAOYSA-M
-rxn:5:194688:225988:226881,COc1cc(-c2c(F)c(F)c(OC)c(F)c2F)cc2c1OCC(=O)N(c1ccc(-c3c(F)cc(C4OCCO4)cc3F)cc1)C2,BZWMICIIAZSHDH-UHFFFAOYSA-N
-rxn:5:194767:225636:226203,CC1CCN(c2cc(-c3ccc(-c4ccc5c(cnn5C5CC5)c4)c(C(=O)N4CCCC5(C4)OC(=O)c4ccccc45)c3)ccn2)CC1,NXXHZPVNPFPSHE-UHFFFAOYSA-N
-rxn:5:194767:225834:226664,O=C1OC2(CCCN(C(=O)c3cc(-c4cc(N5CCCCC5)ncc4F)ccc3-c3cc(N4CCCC4)ncc3F)C2)c2ccccc21,BIUJGZYTJKDINW-UHFFFAOYSA-N
-rxn:5:194767:226664:225976,O=C1OC2(CCCN(C(=O)c3cc(-c4cc(N5CCCC5)ncc4F)ccc3-c3ccnc(N4CCOCC4)c3F)C2)c2ccccc21,YQAWCHQNXOPAKE-UHFFFAOYSA-N
-rxn:5:196188:225832:225638,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2ccc(N3CCC(C)CC3)nc2)ccc1C1=NOCC1,JDYKJPCVHDGGIW-UHFFFAOYSA-N
-rxn:5:196408:223131:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(C2=NOCCO2)c(-c2ccc(N3CCNCC3)cc2)c1,VUNXPNSMIBAPAP-UHFFFAOYSA-N
-rxn:5:196408:225466:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(C2=NOCCO2)c(-c2ccc(N3CCCCC3C)cc2)c1,NHZOPYXIRQHIEO-UHFFFAOYSA-N
-rxn:5:196408:225832:226432,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2ccc(C3CCCC3)nc2F)ccc1C1=NOCCO1,IIVDPMABNONNAZ-UHFFFAOYSA-N
-rxn:5:196408:225832:226663,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2ccc(N3CCSCC3)nc2)ccc1C1=NOCCO1,UEKHCABFSGWTAR-UHFFFAOYSA-N
-rxn:5:196408:225832:227103,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2sccc2C2CCCCC2)ccc1C1=NOCCO1,DKTBAIRMICMCTO-UHFFFAOYSA-N
-rxn:5:196533:225600:226733,CN(C)S(=O)(=O)c1ccc(C2CC(=O)N(c3ccc(-c4cccnc4OC4CCCCC4)cc3)C2=O)cc1,ZQASNCACFQOABZ-UHFFFAOYSA-N
-rxn:5:196670:225466:225832,Cc1nn(C2CCCCO2)c(C)c1-c1nccc(-c2ccc(N3CCCCC3C)cc2)c1C1CCCC1,NQVWDNRAWHQXLC-UHFFFAOYSA-N
-rxn:5:196789:223065:226664,O=C1COCCN1c1ccc(-c2ccc(N3CCNCC3)cc2F)cc1-c1cc(N2CCCC2)ncc1F,AXSONJAUSLPEJV-UHFFFAOYSA-N
-rxn:5:196789:227612:225617,O=C1COCCN1c1ccc(-c2cnn(C3CCCCO3)c2)cc1-c1ccc(OC2CCCCO2)cc1,WLSNVEBDNAHPTC-UHFFFAOYSA-N
-rxn:5:196858:222956:222981,Cc1ccc(-c2cnc(C3CCOCC3)cc2-c2ccnc(NC3CCCCC3)c2)c(C2CCCNC2)c1,MSTQMBFLYPEFEQ-UHFFFAOYSA-N
-rxn:5:196873:226174:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(N2CCOCC2)ccc1-c1ccc(C2CCCCC2)nc1,IQMGZBNGLVGASC-UHFFFAOYSA-N
-rxn:5:196970:225832:223135,Cc1nn(C2CCCCO2)c(C)c1-c1c(C2CCCCC2)ccnc1-c1cccnc1C1CCCNC1,XECZCEOFVHPNRG-UHFFFAOYSA-N
-rxn:5:196977:226179:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(N2CCCCC2)ccc1-c1cncc(C2CCCCC2)c1,VIKQOTSQZUFZJZ-UHFFFAOYSA-N
-rxn:5:196978:225499:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2ccc(C3CCCCC3)cc2F)ccc1N1CCCCC1,HSGULGWOVWHHIT-UHFFFAOYSA-N
-rxn:5:196978:225832:226179,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(N2CCCCC2)c(-c2cncc(C3CCCCC3)c2)c1,NHOWCRAIENESDZ-UHFFFAOYSA-N
-rxn:5:196979:225832:223139,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2ccc(C3CCNCC3)nc2)cc(N2CCCCC2)c1,KGNKMTNCBXGKIQ-UHFFFAOYSA-N
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-rxn:4:175933:224316,CN1CCN(C(=O)c2cc(F)cc(-c3ccc(C4(C(=O)OC(C)(C)C)CC4)cc3)c2)CC1,GCMVFUJCQOEEJD-UHFFFAOYSA-N
-rxn:4:175937:223699,COc1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2C(F)(F)F)cc1OCC1CCOCC1,GXLSZMGXHASMOH-UHFFFAOYSA-N
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-rxn:4:176287:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccccc3C=C3Oc4cc(OS(=O)(=O)c5ccc(F)cc5)ccc4C3=O)c(F)c2)CC1,SZHOJWQKISYSBV-DIVCQZSQSA-N
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-rxn:4:178597:224894,CCc1ccc(-c2cncc(-c3ccc(OC(=O)C4OC5OC(C)(C)OC5C5OC(C)(C)OC45)cc3)c2)cc1,PDEJRJXEQNRWLJ-UHFFFAOYSA-N
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-rxn:4:179897:223926,FC(F)(F)c1ccc(C2OCCO2)c(-c2ccc(CN3CCC4(CC3)OCCO4)cc2)c1,DEKBVPDURNDYTL-UHFFFAOYSA-N
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-rxn:4:182371:223474,CC(C)c1cc(-c2ccc(OCc3ccccc3)c(C34CC5CC(CC(C5)C3)C4)c2)cc2c1OC(C)(C)CC2,CFTBPOCLIJFMTE-UHFFFAOYSA-N
-rxn:4:182372:224483,CO[C@H]1CC[C@]2(CC1)Cc1ccc(-c3ccc(OCCN4CCCCC4)cc3)cc1C2=O,FHPOWOHKPSHEDL-XBTDCMMSSA-N
-rxn:4:182376:224100,CO[C@H]1[C@H](C)C[C@@]2(Cc3ccc(-c4ccccc4OCCN4CCC(C)CC4)cc3C2=O)C[C@@H]1C,HBQRCHQTLHRCRO-ILXGQIOTSA-N
-rxn:4:183120:223542,CN1CCN(S(=O)(=O)c2cc(-c3ccc4c(c3)C(=O)C(C)(C)S4)ccc2OC(F)(F)F)CC1,DGWICQYGGPUWIA-UHFFFAOYSA-N
-rxn:4:183218:222523,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc3c(c2)C(F)C(C)(C)S3(=O)=O)c(C(F)(F)F)c1,PJCHOMRJYTWDOM-UHFFFAOYSA-N
-rxn:4:183273:223325,Cc1n[nH]c2cccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)c12,MFDXCDIOMIDEAC-UHFFFAOYSA-N
-rxn:4:183273:225976,Fc1c(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)ccnc1N1CCOCC1,ZAADSBVJMLFFJZ-UHFFFAOYSA-N
-rxn:4:183273:228822,Cc1ccc(Cl)c(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1F,ZKVHMIQOWBPKOL-UHFFFAOYSA-N
-rxn:4:183274:226500,CC(C)COc1ncc(Cl)cc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCOCCO2,DTNXBAHCRRYWQP-UHFFFAOYSA-N
-rxn:4:183274:229184,Fc1ncc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCOCCO3)cc1Cl,PXYKNLXETLXEHV-UHFFFAOYSA-N
-rxn:4:183533:224962,CCOC(=O)Cc1ccc(-c2ccccc2COC2CCOCC2)c(C(F)(F)F)c1C#N,MICBSVVCWZWTPI-UHFFFAOYSA-N
-rxn:4:183534:222871,CCOC(=O)Cc1cc(C(F)(F)F)c(-c2ccc(C(=O)NCC(C)C)c(Cl)c2)cc1C#N,ZJXNBPQQHQPQJF-UHFFFAOYSA-N
-rxn:4:183583:223070,COC(=O)C(C(=O)OC)c1ccc(-c2csc(NC(=O)OC(C)(C)C)c2)cc1[N+](=O)[O-],XHVJPABFOHDAMV-UHFFFAOYSA-N
-rxn:4:183702:222607,COC(=O)c1cc(OCc2ccccc2)c(-c2ccc(NC3CCN(S(C)(=O)=O)CC3)cc2)cc1[N+](=O)[O-],UJXIDBZHLRWGPV-UHFFFAOYSA-N
-rxn:4:183716:224255,CCOC(=O)c1ccc(N(CC)CC)c(-c2cc(F)cc(C(=O)N3CCCC(C)C3)c2)c1,YBISCFHPUVBRFJ-UHFFFAOYSA-N
-rxn:4:183726:222524,CCCOc1cc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC(O)CC2)ccc1C(=O)ON1C(=O)CCC1=O,QXOOJSPHGJAMAV-UHFFFAOYSA-N
-rxn:4:183739:222702,CCOc1cc(S(=O)(=O)N(CC)CC)ccc1-c1cc(C2CCCNC2)ccc1C(F)(F)F,NHENXPXEEWPCER-UHFFFAOYSA-N
-rxn:4:183746:223658,COC(=O)CSC1CCN(C(=O)c2ccccc2-c2ccc(S(=O)(=O)N3CCOCC3)c3ccccc23)C1,YGYLPCSFLNUMOA-UHFFFAOYSA-N
-rxn:4:183750:224738,FC(F)(F)Oc1ccc(OCCN2CCOCC2)c(-c2cc(OCC3CC3)cc(C(F)(F)F)c2)c1,VBKPEUVGQOHJNH-UHFFFAOYSA-N
-rxn:4:183763:222913,CC(C)(C)OC(=O)ON(c1ccc(F)cc1-c1ccc(CNS(=O)(=O)C2CC2)cc1)C1CC1,NGSQPYINDNZLML-UHFFFAOYSA-N
-rxn:4:183769:226842,O=C(COc1ccc(OC(F)(F)F)cc1-c1cncc(C(=O)C(F)(F)F)c1)N1CCCCC1,NVNFFRQKQVNHJC-UHFFFAOYSA-N
-rxn:4:183784:224301,CCN(CC)C(=O)COc1cc(C)c(-c2cc(O[Si](C)(C)C(C)(C)C)cc(F)c2F)c(C)c1,OWHPOBKZSBFAEB-UHFFFAOYSA-N
-rxn:4:183792:224373,CCN(Cc1cccc(F)c1-c1ccc(OC)c(S(=O)(=O)N2CCCC2)c1)C(=O)OC(C)(C)C,CJSOECMMFJCHNK-UHFFFAOYSA-N
-rxn:4:183799:223841,COC(=O)c1cc(OCCN2CCOCC2)cc(-c2cc(S(=O)(=O)N3CCN(C)CC3)c(C)cc2F)c1,ZRSPGCDOJVIBKX-UHFFFAOYSA-N
-rxn:4:183828:225310,CC(C)(C)OC(=O)N(Cc1cc(F)cc(-c2cc(C(F)(F)F)c(Cl)cc2C2CC2)c1)C1CC1,DPXUYHXDQBJLJJ-UHFFFAOYSA-N
-rxn:4:183837:225744,COC(=O)C1CCN(C(=O)COc2ccc(-c3cncc(C(=O)OC(C)(C)C)c3)cc2)CC1,JWKSGWPYJKQBCI-UHFFFAOYSA-N
-rxn:4:183875:223563,COc1cc(COc2c(C)cc(-c3ccc(OCC4CN(C(=O)OC(C)(C)C)C4)c(Cl)c3)cc2C)cc(OC)c1,ZTNPOLVAMIZNMG-UHFFFAOYSA-N
-rxn:4:183902:223078,CCNS(=O)(=O)c1ccc(-c2cccc(F)c2OCCCN2CCC(OC)CC2)c(C)c1,FLEXSPITNRSPFR-UHFFFAOYSA-N
-rxn:4:183914:223992,Cc1ccc(-c2cc(OC(F)(F)F)ccc2OCCN2CCCC(C)C2)cc1S(=O)(=O)N1CCN(C)CC1,XOQFKAJCAAPXAQ-UHFFFAOYSA-N
-rxn:4:183915:223944,Cc1c(Cl)cc2c(cnn2C2CCCCO2)c1-c1cc(OC(F)(F)F)ccc1OCCN1CCC(C)CC1,WWSCBIRGZKQPCA-UHFFFAOYSA-N
-rxn:4:183928:223105,CNS(=O)(=O)c1cc(-c2ccc(C(C)N(C(=O)OC(C)(C)C)C3CC3)cc2)c(F)cc1C,URIKDQGOAXFVHF-UHFFFAOYSA-N
-rxn:4:183930:222867,Cc1ccc(CN(C(=O)OC(C)(C)C)C2CC2)c(-c2ccc(NC(=O)OC(C)(C)C)cc2)c1,UYCUEFLWGVBDQB-UHFFFAOYSA-N
-rxn:4:183931:223556,Cc1cc(CN(C(=O)OC(C)(C)C)C2CC2)cc(-c2ccc3c(c2)c2ccccc2n3C(=O)OC(C)(C)C)c1,AWNUTSZLQPWZEB-UHFFFAOYSA-N
-rxn:4:183937:223182,CCNS(=O)(=O)c1ccc(-c2cc(F)ccc2CN(C(=O)OC(C)(C)C)C2CCC2)cc1,FOTZZPMXZMCBHG-UHFFFAOYSA-N
-rxn:4:183959:222651,Cc1cc(-c2cc(C(=O)NC3CCCCC3)ccc2F)ccc1OCC1CN(C(=O)OC(C)(C)C)C1,HOJHPSAPTZZCHY-UHFFFAOYSA-N
-rxn:4:183966:225294,CCN1CCN(c2ncc(-c3cc(Cl)cc(OCC4CCN(C(=O)OC(C)(C)C)C4)c3)cn2)CC1,BEBFDQBWZKMRCF-UHFFFAOYSA-N
-rxn:4:183967:224677,CC(C)(C)OC(=O)N1CCC(COc2cc(-c3ccc(Cl)c(C(=O)N4CCCCC4)c3)ccc2Cl)C1,JXYGDZWHLIQDBR-UHFFFAOYSA-N
-rxn:4:183980:225312,CCOc1cc(C=C2N=C(c3ccc(-c4cnc(N5CCCN(C)CC5)nc4)cc3)OC2=O)ccc1OC(C)=O,NUHVNQRDVMJISS-UHFFFAOYSA-N
-rxn:4:183985:223881,Cc1ccc2cc(-c3ccc(O[Si](C(C)C)(C(C)C)C(C)C)cc3C#N)n(C(=O)OC(C)(C)C)c2c1,AMBXKWZZSFAYBX-UHFFFAOYSA-N
-rxn:4:183994:226893,CC(C)(C)OC(=O)N(Cc1ccc(-c2cc(Cl)c(C(F)(F)F)cc2F)cc1)C1CCCC1,OYLSNPMJRODFIB-UHFFFAOYSA-N
-rxn:4:184031:225593,CC(C)(C)OC(=O)N1CCCC(COc2cc(F)cc(-c3cc(F)cc(CN4CCCC4)c3)c2)C1,MUDHEOFVWDOLGM-UHFFFAOYSA-N
-rxn:4:184054:222907,CC(C)CS(=O)(=O)C1CCN(C(=O)Cc2ccc(-c3ccncc3NC(=O)OC(C)(C)C)cc2)CC1,HTMCAWIFEZCTMR-UHFFFAOYSA-N
-rxn:4:184055:222975,COc1cc(-c2ccc(C(=O)NC3CC3)cc2C)ccc1OC1CCN(C(=O)OC(C)(C)C)CC1,ZZQWEDHMPMMHNL-UHFFFAOYSA-N
-rxn:4:184061:223022,COCCNC(=O)c1ccc(-c2ccc(N3CC(C(=O)OC(C)C(=O)c4ccc(C)cc4)CC3=O)cc2)cc1,KMLIJIVDQHIEAE-UHFFFAOYSA-N
-rxn:4:184077:225346,COc1ccc(-c2ccccc2CCC(=O)N2CCC(Oc3cc(C)oc(=O)c3)CC2)cc1S(=O)(=O)N(C)C,RCMZYQCSXAWZJO-UHFFFAOYSA-N
-rxn:4:184085:223602,Cc1c(OCC2CCN(C(=O)OC(C)(C)C)CC2)cccc1-c1ccnc(N2CCN(C(=O)OC(C)(C)C)CC2)c1Cl,BPOGJGGXCSBGQW-UHFFFAOYSA-N
-rxn:4:184096:224862,CC(C)Oc1ccc2ccccc2c1-c1ccc(CN(C(=O)OC(C)(C)C)C2CCC(C)(C)CC2)cc1,HLQCFLNJIZKBAX-UHFFFAOYSA-N
-rxn:4:184098:224485,CC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2cccc(CN(C(=O)c3ccc(C(C)(C)C)cc3)C3CCS(=O)(=O)C3)c2)c1,PYAJETCBPMRVBB-UHFFFAOYSA-N
-rxn:4:184099:224921,Cc1ccc(-c2ccc(-c3ccc(C(C)N(C(=O)OC(C)(C)C)C4CCC(C)(C)CC4)cc3)cc2F)cc1,INQIVSQAJHVGNO-UHFFFAOYSA-N
-rxn:4:184099:226155,CC(=O)c1cc(-c2ccc(C(C)N(C(=O)OC(C)(C)C)C3CCC(C)(C)CC3)cc2)cc(C2CC2)c1,SJIJOZATJHNTLO-UHFFFAOYSA-N
-rxn:4:184099:227883,CCOCc1ccc(-c2ccc(C(C)N(C(=O)OC(C)(C)C)C3CCC(C)(C)CC3)cc2)cc1,DTPOJOZFXNKTDT-UHFFFAOYSA-N
-rxn:4:184099:228572,Cc1ccc(-c2ccc(C(C)N(C(=O)OC(C)(C)C)C3CCC(C)(C)CC3)cc2)cc1C#N,SPWBWNNSDSIZAA-UHFFFAOYSA-N
-rxn:4:184099:228643,Cc1ccc(-c2ccc(C(C)N(C(=O)OC(C)(C)C)C3CCC(C)(C)CC3)cc2)c(C)c1Cl,DSSDWLYKODASCA-UHFFFAOYSA-N
-rxn:4:184100:225564,COC(=O)C(C)(C)c1cccc(-c2cc(C)cc(CN(C(=O)OC(C)(C)C)C3CCC(C)(C)CC3)c2)c1,CPNDESMAQVNQIP-UHFFFAOYSA-N
-rxn:4:184123:224645,COc1cc(C(=O)N2CCCC2)ccc1-c1c(F)cccc1OCCCCN1C(=O)c2ccccc2C1=O,KZZIRTDCFQDXED-UHFFFAOYSA-N
-rxn:4:184208:224706,CCOC(=O)c1cn2cc(-c3ccc(CN(C(=O)OC(C)(C)C)C4CCCC4)c4ccccc34)c(C)cc2n1,KDLVWYUZAIPVDH-UHFFFAOYSA-N
-rxn:4:184208:226546,COC(=O)c1cccc(-c2ccc(CN(C(=O)OC(C)(C)C)C3CCCC3)c3ccccc23)c1OC,QZVFZGHZRNULRM-UHFFFAOYSA-N
-rxn:4:184210:223638,Cc1ccc2nc(-c3ccc(-c4cccc(C5CCCN(C(=O)OC(C)(C)C)C5)c4)cc3)cc(C(=O)OC(C)C(=O)c3ccccc3)c2c1,PFQPJCBEGRIQHJ-UHFFFAOYSA-N
-rxn:4:184222:224969,Cc1cc(-c2ccc(CN(C(=O)OC(C)(C)C)C3CCCCC3)c3ccccc23)ccc1C(=O)OC(C)(C)C,AFLICMZBRNAGOK-UHFFFAOYSA-N
-rxn:4:184225:226237,CC(=O)c1c(C)oc2ccc(N(C(=O)C3CCCCC3)S(=O)(=O)c3ccc(-c4ccccc4OCCN(C)C)cc3)cc12,DPZCUFQXAUDXGX-UHFFFAOYSA-N
-rxn:4:184235:222838,CCCC(=O)N(c1ccc2oc3c(c2c1)CCCC3)S(=O)(=O)c1ccc(-c2ccc(CNC(=O)C(C)(C)C)cc2)cc1,HXZHGRZHKMAGRE-UHFFFAOYSA-N
-rxn:4:184278:224018,N#Cc1cc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCOCC2)ccc1OC(C(F)(F)F)C(F)(F)F,UVQOXSYTUOZWKI-UHFFFAOYSA-N
-rxn:4:184304:223599,COC(=O)c1cnc(OCC(F)(F)F)c(-c2cc3cc(C(F)(F)F)ccc3n2C(=O)OC(C)(C)C)c1,JMLMALINMXKDLA-UHFFFAOYSA-N
-rxn:4:184367:223683,CCOC(=O)Cc1cc(F)c(-c2cnc(OC3CCN(C(=O)OC(C)(C)C)C3)nc2)cc1C#N,OFKWJOOYGIQQEA-UHFFFAOYSA-N
-rxn:4:184448:224827,COC(=O)Cc1c(C#N)ccc(C(F)(F)F)c1-c1cc(OC(F)(F)F)ccc1C(=O)OC,OXMMOLSIVIZMSM-UHFFFAOYSA-N
-rxn:4:184459:224686,COC(=O)Cc1cc(C(F)(F)F)c(-c2ccc(C(=O)N3CCCCC3)cc2F)cc1C#N,VWGVIESGMRUMDW-UHFFFAOYSA-N
-rxn:4:184495:224402,CCOC(=O)c1cc(-c2cc(F)c(F)cc2S(=O)(=O)N(CC)CC)c(C(F)(F)F)cc1C#N,QSIJJQAZLZXVMY-UHFFFAOYSA-N
-rxn:4:184639:223916,CCOC(=O)Cc1c(C)ccc(-c2ccc(C(=O)N3CCN(C(C)C)CC3)cc2)c1C#N,PJKOJYUWFWUNEO-UHFFFAOYSA-N
-rxn:4:184908:224827,COC(=O)c1ccc(OC(F)(F)F)cc1-c1cc(OC)ccc1OCC(=O)N1CCCC1,CQVFAUYZDZUEHP-UHFFFAOYSA-N
-rxn:4:184931:225003,COC(=O)CN1C(=O)C(=Cc2ccc(OC)c(-c3ccc(N4CCCCC4)cc3OC)c2)SC1=S,OAEZVFODVBEJBP-UHFFFAOYSA-N
-rxn:4:184946:224082,CCC(C(=O)OC(C)(C)C)c1cccc(-c2cccc(CN(C)C(=O)OC(C)(C)C)c2Cl)c1,WAXUNIUBRMEWMO-UHFFFAOYSA-N
-rxn:4:184984:222537,CC(C)Sc1ncc(-c2cc(C3CCCC3)nc(C3CCCNC3)c2)cc1C(=O)OC(C)(C)C,JTBPIBSAHWZXDK-UHFFFAOYSA-N
-rxn:4:185012:222657,O=C(NC1CCCCC1)c1cc(-c2cccc(C(=O)N3CC(S(=O)(=O)Cc4ccco4)C3)c2)ccc1F,IJHMCBGNQCTCKL-UHFFFAOYSA-N
-rxn:4:185017:222589,COc1ccc(-c2ccc(OCCN3CCC(O)CC3)c(Cl)c2)c(CN(C)CC2CCC2)c1,HYPBGKGFVHONEA-UHFFFAOYSA-N
-rxn:4:185026:222825,CC(C)(C)NS(=O)(=O)c1ccc(Cl)cc1-c1ccc(SC2CN(C(=O)OC(C)(C)C)C2)cc1,UDUXZCGYSOREBS-UHFFFAOYSA-N
-rxn:4:185044:225109,CC(C)(C)OC(=O)Oc1cccc(-c2cc(Cl)cc(OC3CN(C(=O)OC(C)(C)C)C3)c2)c1,FVSKOTXTVRETQX-UHFFFAOYSA-N
-rxn:4:185047:224163,Cc1c(-c2cccc(CN3CCCCC3)c2OCC(F)(F)F)ccc2c1cnn2C1CCCCO1,SYDLGCFPUSGFAQ-UHFFFAOYSA-N
-rxn:4:185058:224762,CC(C)(C)OC(=O)N1CC(Oc2cc(F)c(F)cc2-c2ccc(C(=O)N3CCOCC3)c(F)c2)C1,MLUSZSTXXITQJV-UHFFFAOYSA-N
-rxn:4:185062:226339,N#Cc1cc(Cl)c(C2CC2)c(-c2cc(Cl)cc(F)c2OCCN2CCC(C(F)(F)F)CC2)c1,CGRWKWYFKCWKON-UHFFFAOYSA-N
-rxn:4:185067:222575,Cc1ccc(NC(=O)c2ccc(-c3cccc(CN4CCC(F)(F)CC4)c3OCC(F)(F)F)cc2)c(Cl)c1,IDJNCGBUTYJHHO-UHFFFAOYSA-N
-rxn:4:185114:225564,COC(=O)C(C)(C)c1cccc(-c2ccc(S(=O)(=O)CC(=O)N3CCC(C(F)(F)F)CC3)cc2)c1,IBJKXIMMAYWZKR-UHFFFAOYSA-N
-rxn:4:185115:223253,CCCCNc1ncc(-c2ccccc2S(=O)(=O)CC(=O)N2CCCC(C(F)(F)F)C2)cn1,NSMQHMNZQFIOSX-UHFFFAOYSA-N
-rxn:4:185118:226485,COCCOc1cc(-c2cccc(S(=O)(=O)CC(=O)N3CCC(C(F)(F)F)CC3)c2)ccc1Cl,OSNWKLXLBYVHFP-UHFFFAOYSA-N
-rxn:4:185134:223835,COC(=O)C1CCN(CCc2ccc(-c3cc(S(=O)(=O)N4CCC(C)CC4)c(C)cc3F)cc2)CC1,LBKLNJMLUCUYMO-UHFFFAOYSA-N
-rxn:4:185162:222976,Cc1cc(-c2ccc(C(F)(F)F)cc2C2CN(C(=O)OC(C)(C)C)C2)ccc1C(=O)NC1CC1,QYRKJYLWGLFJDJ-UHFFFAOYSA-N
-rxn:4:185162:225901,Cc1nn(C(=O)OC(C)(C)C)cc1-c1ccc(C(F)(F)F)cc1C1CN(C(=O)OC(C)(C)C)C1,FROFPMHDFUBORQ-UHFFFAOYSA-N
-rxn:4:185166:226843,CC(C)(C)OC(=O)N1CC(c2ccc(C(F)(F)F)c(-c3ccc(C(=O)C(F)(F)F)nc3)c2)C1,VJSFGPRKBXOQNS-UHFFFAOYSA-N
-rxn:4:185293:225319,O=C(c1ccccc1-c1cc(F)c(F)c(N2CCOCC2)c1)N(Cc1ccccc1F)C1CCS(=O)(=O)C1,HIMSVVBMVGRYLB-UHFFFAOYSA-N
-rxn:4:185303:225001,CCOc1ccc(-c2ccc(CN3CCCC(F)C3)cc2)cc1S(=O)(=O)N(C)C1CCCCC1,DLJKWTHCIZIWKR-UHFFFAOYSA-N
-rxn:4:185305:224423,CCC[C@H]1CC[C@H](c2ccc(-c3ccc(S(=O)(=O)N4CCCCC4CC)cc3OCC)cc2)CC1,CUXBGUWAWCGBID-OOZDBRQBSA-N
-rxn:4:185307:222703,CCCOc1cc(S(=O)(=O)N2CCCC(C)C2)ccc1-c1ccc(C(F)(F)F)c(C2CCNCC2)c1,ZORMEKDPJLCINA-UHFFFAOYSA-N
-rxn:4:185310:224421,CC(C)c1cc(C(C)C)c(-c2ccc(SC3CCN(C(=O)OC(C)(C)C)CC3)cc2)c(C(C)C)c1,LBOWKBSFJKEGDK-UHFFFAOYSA-N
-rxn:4:185317:223901,CC1CCN(CCOc2ccc(-c3cc(C4CN(C(=O)OC(C)(C)C)C4)ccc3C3CC3)cc2Cl)CC1,QWQNRLSKBZQOKY-UHFFFAOYSA-N
-rxn:4:185334:224286,COc1ccc(S(=O)(=O)N2CCSC2c2cc(-c3ccc(OCCN4CCOCC4)c(Cl)c3)ccc2OC)cc1,MJCWMSRMUFOIHC-UHFFFAOYSA-N
-rxn:4:185350:222676,CC(C)CS(=O)(=O)C1CCN(C(=O)c2cccc(-c3cc(F)ccc3CNC(=O)OC(C)(C)C)c2)CC1,BTCZYBGMZFDRSQ-UHFFFAOYSA-N
-rxn:4:185351:224272,CC(C)CS(=O)(=O)C1CCN(C(=O)c2ccccc2-c2cc3ccncc3n2C(=O)OC(C)(C)C)CC1,JBLKHVPTABPZDD-UHFFFAOYSA-N
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-rxn:4:185353:226175,Cc1cc(N2CCCC2)ccc1-c1ccc(CC(=O)N2CCC(S(=O)(=O)C(C)(C)C)C2)cc1,YEUBWAOHRCCBGM-UHFFFAOYSA-N
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-rxn:4:185626:227754,CC(C)(C)OC(=O)N1CCC[C@H]1[C@@]1(c2ccccc2)Cc2c(cc(F)cc2-c2c(Cl)cccc2C(F)(F)F)O1,VGBXBASIRZZTBS-SVEHJYQDSA-N
-rxn:4:185724:223755,CC1CCN(CCCOc2ccc(-c3cc(OCC(F)F)ccc3[N+](=O)[O-])cc2F)CC1,BFIRVICRDLHVAX-UHFFFAOYSA-N
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-rxn:4:187004:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(OCC(=O)N2CCC(F)(F)CC2)cc1,URAZKTXGXCKOQP-UHFFFAOYSA-N
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-rxn:4:187063:224501,CCOc1ccc(-c2ccc(OCC3CCCCN3C)cc2)cc1C(=O)N1CCOCC1,FBZLEUNJLXYTEI-UHFFFAOYSA-N
-rxn:4:187078:224059,COC(=O)c1cc(CN2CCOCC2)cc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2OC)c1,JETJHIVWDVPBSI-UHFFFAOYSA-N
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-rxn:4:187189:224751,CC(C)(C)OC(=O)N1CC(c2ccc(-c3ccc(F)c(C(=O)N4CCOCC4)c3)cc2)C1,ZBMGWGNHDLPRQH-UHFFFAOYSA-N
-rxn:4:187216:222759,COC(=O)c1cc(CN2CCC(F)CC2)cc(-c2cc(C)cc(NC(=O)OC(C)(C)C)c2)c1,QWUSMUNUSYWCLE-UHFFFAOYSA-N
-rxn:4:187219:222922,CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(F)c(C2CN(C(=O)OC(C)(C)C)C2)c1,DEHGOYZDWOWFIM-UHFFFAOYSA-N
-rxn:4:187247:223034,COC(=O)c1cc(CN2CCC(F)(F)CC2)cc(-c2cncc(C(=O)NC(C)(C)C)c2)c1,KEBQRNRYUFDLQB-UHFFFAOYSA-N
-rxn:4:187295:222636,Cc1ccc(C(=O)N(C(C)C)C(C)C)c(-c2ccc([C@@H](C)NC(=O)OC(C)(C)C)cc2)c1,ARYATPWTSHSSHM-HXUWFJFHSA-N
-rxn:4:187318:225061,COC(=O)c1ccc(-c2ccc(N3CCC(C)CC3)cc2F)c(CN2CCOC(C)C2)c1,JLHSOBVIWCQLJP-UHFFFAOYSA-N
-rxn:4:187352:222648,Cc1cc(C)c(-c2cnc([Si](C(C)C)(C(C)C)C(C)C)s2)cc1NC(=O)OC(C)(C)C,ABSYOUCHOYFNKV-UHFFFAOYSA-N
-rxn:4:187353:223941,CC(C)[Si](c1nc(-c2ccc3c(c2)CC(=O)N3C(=O)OC(C)(C)C)co1)(C(C)C)C(C)C,URMPDEIONAPKMY-UHFFFAOYSA-N
-rxn:4:187368:225182,CCN(C(=O)c1ccc(-c2ccnc(OC3CCCCC3)c2Cl)c(Cl)c1)C1CCCCC1,VZFHLNOKFLVCJQ-UHFFFAOYSA-N
-rxn:4:187373:223997,COc1cc(S(=O)(=O)N2CCCCC2)c(OC)cc1-c1cc(C)c(S(=O)(=O)N2CCOCC2)c(C)c1,KBKGLHOMLFUDCF-UHFFFAOYSA-N
-rxn:4:187378:223787,CC1CCCN(C(=O)CS(=O)(=O)c2ccccc2-c2ccc(OCCCN3CCN(C)CC3)c(F)c2)C1,JNTMENKIINYLJO-UHFFFAOYSA-N
-rxn:4:187430:225264,COC(=O)c1cc(CN2CCCC(C)C2)cc(-c2ccc(C(=O)OC)c(C(=O)OC)c2)c1,JUJHYYBRKLJWAM-UHFFFAOYSA-N
-rxn:4:187470:224959,COc1ccc(C=C2SC(=S)N(c3ccc(-c4ccc(OCC5CCCCO5)cc4)cc3)C2=O)c(OC)c1,ZPTNSSYHUGSODU-UHFFFAOYSA-N
-rxn:4:187483:224820,CCC1CCCCN1S(=O)(=O)c1ccc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)c(OC)c1,WTANMGDFEXSKAW-UHFFFAOYSA-N
-rxn:4:187492:224485,CC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2cccc(C3CN(C(=O)OC(C)(C)C)CCO3)c2)c1,KARAXPDLQOZYJL-UHFFFAOYSA-N
-rxn:4:187498:225919,COCc1cc(C(F)(F)F)ccc1-c1cc(OC)c(C(=O)N2CCC(C)CC2)c(OC)c1,APFHZEBLCOQCEY-UHFFFAOYSA-N
-rxn:4:187501:224760,CC(C)Oc1cccc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)c1CN1CCCC(F)(F)C1,MTARPCPXJCDDCG-UHFFFAOYSA-N
-rxn:4:187502:223712,COc1ccc(-c2cccc(OC(C)C)c2CN2CCC(F)(F)CC2)cc1C12CC3CC(CC(C3)C1)C2,QESKOONFTAVYBM-UHFFFAOYSA-N
-rxn:4:187505:222952,CC(C)(C)OC(=O)N1CCOC(c2ccc(-c3cccc(NC(=O)C(F)(F)F)c3F)cc2Cl)C1,QNVBOSHSGNGVPP-UHFFFAOYSA-N
-rxn:4:187522:222538,O=C(c1ccc(CN2CCOCC2)cc1)c1ccc(-c2cc(C3CCCC3)nc(C3CCNCC3)c2)c(F)c1,QLAKHVAJHFLCRS-UHFFFAOYSA-N
-rxn:4:187547:223891,CCN(C(=O)c1ccc(-c2c(F)ccc3c2ccn3[Si](C)(C)C(C)(C)C)c(C)c1)C1CCCCC1,UZSPVWIVEFPZAU-UHFFFAOYSA-N
-rxn:4:187560:226014,COc1ccc(S(=O)(=O)OC)cc1-c1ccc(C2CCCN(C(=O)OC(C)(C)C)C2=O)cc1,PUZNUHXBTLVNLM-UHFFFAOYSA-N
-rxn:4:187587:226299,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3ccc(OCC4CC4)cc3Cl)cc2Cl)CC1,HUQCOAROXBWQMZ-UHFFFAOYSA-N
-rxn:4:187589:225264,COC(=O)c1ccc(-c2cc(C3CCCN(C(=O)OC(C)(C)C)C3)ccc2F)cc1C(=O)OC,YOOAVGUPQJAUJD-UHFFFAOYSA-N
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-rxn:4:187625:224414,CC1CCN(Cc2c(OC(C)C)cccc2-c2ccc(C(F)(F)C(F)(F)C(F)(F)F)nc2)CC1,AXADYPVMLNNQMT-UHFFFAOYSA-N
-rxn:4:187662:223888,Cc1cc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CCC3)cc(C2CCN(C(=O)OC(C)(C)C)CC2)c1,CXOMLXVRXRXLLV-UHFFFAOYSA-N
-rxn:4:187735:223969,CCOC(=O)CN1C(=O)Cc2cc(-c3cc(C(F)(F)F)ccc3N3CCC(C)CC3)ccc21,MDSXKDBXIQQDKR-UHFFFAOYSA-N
-rxn:4:187753:223832,CCOC(=O)C(=O)c1c[nH]c2ccc(C)c(-c3cc(S(=O)(=O)N4CCC(C)CC4)ccc3OC)c12,FCPFOHMUVXIBLH-UHFFFAOYSA-N
-rxn:4:187933:223832,COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1-c1c(OCC(=O)N2CCC(C)CC2)ccc2ccccc12,FFZIUQFFZDOJBA-UHFFFAOYSA-N
-rxn:4:187938:224126,CCN1CCN(C(C)c2cccc(-c3ccc(CN4C=Cc5cc(OC)c(OC)cc5CC4=O)cc3)c2)CC1,FVGLGQUPIZJAFY-UHFFFAOYSA-N
-rxn:4:187944:226283,CC(C)COc1ccc(F)c(-c2ccc3c(c2)OCCCC3OCCN2CCOCC2)c1,DDFGNQKNTMFIBI-UHFFFAOYSA-N
-rxn:4:187945:223489,COC(=O)C1=Cc2cc(-c3ccc(S(=O)(=O)N4CCC(O[Si](C)(C)C(C)(C)C)CC4)cc3)ccc2N(CC(C)C)CCC1,APTDRUFEERZCMA-UHFFFAOYSA-N
-rxn:4:187948:222730,CCCc1cc(-c2ccc(OC)cc2C(=O)N2C3CCC2CC(S(C)(=O)=O)C3)cc(C2CCNCC2)n1,RRHHYVMDAOFBIU-UHFFFAOYSA-N
-rxn:4:187955:222715,CC(C)(C)OC(=O)Nc1cc(-c2ccccc2C=C2Oc3cc(OC(=O)N4CCOCC4)ccc3C2=O)cc(Cl)c1F,AWCRWWBCVGOHEN-UHFFFAOYSA-N
-rxn:4:187973:225725,CCOC(=O)c1ccc(C#N)c(-c2ccccc2C(=O)N2C3CCC2CC(S(=O)(=O)c2ccccc2)C3)c1,IRHJTJJMZXXQQD-UHFFFAOYSA-N
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-rxn:4:188176:223812,O=[N+]([O-])c1cc(-c2cc(F)cc(CN3CCC4(CC3)OCCO4)c2)cc(F)c1OC(F)F,UYAZGAKCLLCOCS-UHFFFAOYSA-N
-rxn:4:188375:223559,COC(=O)Cc1nc(Cl)ccc1-c1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)OC(C)(C)C,KTQLPFJLZVNDHI-UHFFFAOYSA-N
-rxn:4:188376:223559,COC(=O)Cc1cnc(Cl)cc1-c1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)OC(C)(C)C,WDBITEHWAPPDKW-UHFFFAOYSA-N
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-rxn:4:188643:223784,CCN1CCN(CCOc2ccc(-c3c(C)cc([N+](=O)[O-])cc3OC(F)F)cc2F)CC1,FXXZTTFRKVNWFQ-UHFFFAOYSA-N
-rxn:4:188922:223835,COC(=O)c1cc(-c2cc(S(=O)(=O)N3CCC(C)CC3)c(C)cc2F)ccc1S(N)(=O)=O,VOSVLSQUGSHZCC-UHFFFAOYSA-N
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-rxn:4:189605:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3ccc(OC)c(C=C4N=C(SC)SC4=O)c3)cc2)CC1,CPVRKWZQESSWIX-UHFFFAOYSA-N
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-rxn:4:189973:225162,O=C(c1ccc(-c2cc(C(F)(F)F)cc(S(=O)(=O)N3CCOCC3)c2)cc1Cl)N1CCCC1,YOVNTRNLMQZBGA-UHFFFAOYSA-N
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-rxn:4:190048:224061,CCCC1CCC(c2ccc(-c3ccc(C(F)(F)F)cc3C(=O)N3CCCCC3)c(F)c2)CC1,IMDVCFRZEYLGQF-UHFFFAOYSA-N
-rxn:4:190072:224566,COC(=O)C1(c2ccc(-c3ccc(Cl)c(C(=O)N4CCCCC4C(F)(F)F)c3)cc2)CCCC1,UZDMABBIGPFYJW-UHFFFAOYSA-N
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-rxn:4:190167:222915,O=C(NC1=NCCS1)c1ccc(-c2cc(CN3CCC(F)(F)CC3)cc(C(F)(F)F)c2)cc1,HIIHGCJSXIIDJE-UHFFFAOYSA-N
-rxn:4:190199:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3ccc(Cl)cc3CN(C)C3CCOCC3)c2)CC1,RCBFBRMZQJUUIJ-UHFFFAOYSA-N
-rxn:4:190246:223580,COC(=O)c1ccc2c(c1)cc(-c1ccc(C3=NC(=Cc4ccc(OC)cc4)C(=O)O3)cc1)n2C(=O)OC(C)(C)C,ICVIAMIMOWLTKF-UHFFFAOYSA-N
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-rxn:4:194456:224321,CC1CCN(S(=O)(=O)c2cccc(-c3ccc(S(=O)(=O)N4CC5CC4CS5)cc3)c2)CC1,ZLKKVTAAYKJTAS-UHFFFAOYSA-N
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-rxn:4:202603:225524,CCCCCOc1cc(Cl)ccc1-c1ccccc1C1C(C(=O)OC)=C(C)N=C2SC(CC)C(=O)N21,JCUCQQQMYBUEND-UHFFFAOYSA-N
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-rxn:4:203915:224916,Cc1cc(N2CCCC(C)C2)ccc1-c1ccccc1S(=O)(=O)N1CCC(N2C(=O)COC2=O)C1,ZFZAGOKHBDLHRU-UHFFFAOYSA-N
-rxn:4:203972:223062,CC(=O)N1CCN(S(=O)(=O)c2ccc(-c3cnc(C4CCNCC4)cc3F)c(C)c2)CC1,JAWXHLNXMWUFQW-UHFFFAOYSA-N
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-rxn:4:204054:226665,O=C(c1ccc(-c2cnc(C3CCCOC3)nc2)o1)N1CCCN(C2CCOC2)CC1,GORWCKQFMVQAOO-UHFFFAOYSA-N
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-rxn:4:204125:224760,Cc1ccc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(S(=O)(=O)N5CCCCC5)cc4)cc3)CC2)cc1Cl,MLSXBQUSNRLMLH-UHFFFAOYSA-N
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-rxn:4:204128:225271,COC(=O)c1cc(OC)c(OC)cc1-c1ccc(C(=O)N2C(=S)C(c3ccccc3)=NC23CCCC3)cc1,CFSYARRGGCZUPT-UHFFFAOYSA-N
-rxn:4:204131:225829,CC1CCN(c2ncc(-c3ccc(CN4CCC(N5CCOCC5)CC4)cc3)cn2)CC1,LRKFJNVCMKJZTI-UHFFFAOYSA-N
-rxn:4:204134:223176,CS(=O)(=O)NCc1cccc(-c2ccccc2S(=O)(=O)N2CCCN(C3CCOC3)CC2)c1,GNEALFZVSLZKJA-UHFFFAOYSA-N
-rxn:4:204168:226179,CC1CCN(Cc2ccc(-c3cncc(C4CCCCC4)c3)cc2N2CCOCC2)CC1,HNNIZIPTQAAICD-UHFFFAOYSA-N
-rxn:4:204172:226015,COc1ccc(-c2ccc(CN3CCC(C)CC3)c(N3CCCCC3)c2)c(OC(F)(F)F)c1,QZMORASNJVBZFR-UHFFFAOYSA-N
-rxn:4:204397:223522,COC(OC)c1ncnc2ccc(-c3cc(F)cc(N4CCC(O[Si](C)(C)C(C)(C)C)CC4)c3)cc12,VSQWWVBVAVAQNZ-UHFFFAOYSA-N
-rxn:4:204543:223810,Cc1cc(-c2c(C)ccc3c2cnn3C(=O)OC(C)(C)C)cc(C)c1S(=O)(=O)N1CCC(C)CC1,ZAEFKAIFKBZQQL-UHFFFAOYSA-N
-rxn:4:204564:223597,CCSc1nc2c(c(=O)n1-c1ccc(-c3ccc(OCCN4CCC5(CC4)OCCO5)c(Cl)c3)cc1)SCC2,KUMBFFPHFQMISY-UHFFFAOYSA-N
-rxn:4:204602:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2cnc3c(c2)CCCN3C(=O)OC(C)(C)C)cc1,ASKXWRZICLZYPJ-UHFFFAOYSA-N
-rxn:4:204642:224321,CC1CCN(S(=O)(=O)c2cccc(-c3ccc4c(c3)CCN4C(=O)CN3CCOCC3)c2)CC1,FVYVFGVOGKFYPB-UHFFFAOYSA-N
-rxn:4:204644:222845,CC(c1ccc(-c2cnc3c(c2)CN(C(=O)OC(C)(C)C)CCO3)cc1)N1CCNCC1,MJHLSFJRCLHABE-UHFFFAOYSA-N
-rxn:4:204681:222823,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc3c(n2)N(C(=O)OC(C)(C)C)CC3(C)C)c(F)c1,MPIFSJVUDCOCFG-UHFFFAOYSA-N
-rxn:4:204700:223180,CONC(=O)c1ccc(-c2ccc(C(=O)N3CC(N4C(=O)C5CC=CCC5C4=O)C3)o2)cc1F,RETFOHVVULOQCU-UHFFFAOYSA-N
-rxn:4:204700:223831,COc1ccc(-c2ccc(C(=O)N3CC(N4C(=O)C5CC=CCC5C4=O)C3)o2)cc1S(=O)(=O)N1CCC(C)CC1,YUTFCZASULZVLF-UHFFFAOYSA-N
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-rxn:4:204723:223125,CC(C)NC(=O)c1ccc(-c2ccc(N3C(=NC(=O)C(C)C)SC4CS(=O)(=O)CC43)cc2)cc1,RNSPPKMTDOQBQB-UHFFFAOYSA-N
-rxn:4:204740:226538,CCOC(=O)c1cc(Cl)ccc1-c1ccc2c(c1)C(=C1SC(=S)N(CC(C)C)C1=O)C(=O)N2CC,LKBRARRXQJDFDE-UHFFFAOYSA-N
-rxn:4:204740:227744,CCN1C(=O)C(=C2SC(=S)N(CC(C)C)C2=O)c2cc(-c3ccc(Cl)c(C(F)(F)F)c3)ccc21,KCLMCLPLKHKGSZ-UHFFFAOYSA-N
-rxn:4:204764:228203,CC(C)c1ccc(-c2ccc(S(=O)(=O)N3CC(N4C(=O)C5CC=CCC5C4=O)C3)cc2)c(Cl)n1,SYDOKJQHZINUCC-UHFFFAOYSA-N
-rxn:4:204793:224300,COc1cc(C(=O)N2CCSCC2)ccc1-c1ccc2oc(=O)c(C(=O)N3CCN(c4cccc(Cl)c4)CC3)cc2c1,VPETVSGZOMICOE-UHFFFAOYSA-N
-rxn:4:204803:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3ccc4c(c3)sc(=NC(=O)c3ccc(C(C)(C)C)cc3)n4C)cc21,WSWSPUIKTNRHAB-UHFFFAOYSA-N
-rxn:4:204804:226718,COc1nc(OC)c(-c2ccccc2S(=O)(=O)N2C3CCC2CC(N2C(=O)CCC2=O)C3)cc1SC,XIUMVTYUNKTKSB-UHFFFAOYSA-N
-rxn:4:204804:228610,CC(C)(C)c1ccc(-c2ccccc2S(=O)(=O)N2C3CCC2CC(N2C(=O)CCC2=O)C3)s1,NEBKPUSTRMSFHI-UHFFFAOYSA-N
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-rxn:4:205967:223872,CCN(C(=O)c1cccc(-c2cc([N+](=O)[O-])ccc2N2CC(F)(F)C2)c1)C1CCCCC1,GAFRSKORIDEWQD-UHFFFAOYSA-N
-rxn:4:206397:223490,Cc1ccc(-c2cc(C#N)cc(N3CCOCC3)c2)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,GIKOWBRAZMWWRK-UHFFFAOYSA-N
-rxn:4:206434:223670,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2cnc(Cl)cc2C(=O)N2CCOCC2)CC1,FRNWZHPDLMOSLS-UHFFFAOYSA-N
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-rxn:4:206697:222432,CS(=O)(=O)N1CCCC(c2ncc(-c3ccc(S(=O)(=O)NC4CCCCC4)c4ccccc34)s2)C1,TTYYEVNFOPDZTB-UHFFFAOYSA-N
-rxn:4:206718:223786,Cc1cc(C(=O)N2CCOCC2)ncc1-c1ccc(OCCCN2CCN(C)CC2)c(Cl)c1,FQHUJLLSMMFIHW-UHFFFAOYSA-N
-rxn:4:206767:225361,O=[N+]([O-])c1cc(F)c(-c2cn(C3CCCC3)nc2C(F)(F)F)cc1N1CCCC(F)(F)C1,AVZVHXZIPMFLSG-UHFFFAOYSA-N
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-rxn:4:206945:224645,COc1cc(C(=O)N2CCCC2)ccc1-c1sc(C2CCCN(S(C)(=O)=O)C2)nc1C,WFZHSOGDAIEGIO-UHFFFAOYSA-N
-rxn:4:206959:224392,Cc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1cccc(N2CCN(S(C)(=O)=O)CC2)c1,ZOVJQFKEUJVHLG-UHFFFAOYSA-N
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-rxn:4:206977:224760,CN1CCN(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCCCC4)cc3)cc2F)CC1,FFMKNXOTQUFKOA-UHFFFAOYSA-N
-rxn:4:206987:224584,Cc1cc(N2CCC(F)(F)CC2)c(-c2cccc(C(=O)N3CCC(C)CC3)c2)cc1[N+](=O)[O-],GXPOVCZETCQDHJ-UHFFFAOYSA-N
-rxn:4:207052:223699,CCN1CCN(c2cccc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3C(F)(F)F)c2C)CC1,GCBKEPKIMLWXKU-UHFFFAOYSA-N
-rxn:4:207081:225091,CCCCOc1c(OC)ccc(-c2cncc(C(=O)N3CC4(COC(C)(C)OC4)C3)c2)c1F,WXYYSEBRYWFTNU-UHFFFAOYSA-N
-rxn:4:207092:225124,CC1(C)COC(c2ccc(C3=NC(C)(C)CO3)c(-c3ccnc(OCC4CCOCC4)c3)c2)=N1,HENGLLNYUSDUJQ-UHFFFAOYSA-N
-rxn:4:207279:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3nc(C(F)(F)F)n4cc(C(F)(F)F)cc(Cl)c34)c2)CC1,WRJFLSABDGCXAI-UHFFFAOYSA-N
-rxn:4:207390:222524,CCn1ncc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC(O)CC2)c1C12COCC1O2,KZWZUFPUCKKPRH-UHFFFAOYSA-N
-rxn:4:207811:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3ccc4c(C5=CCN(C(C)C)CC5)c[nH]c4c3)cc2)CC1,DLEPPKFMXXQDNO-UHFFFAOYSA-N
-rxn:4:207829:224485,CC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2ccc(N3C(=O)N(c4ccc(F)cc4)C4CS(=O)(=O)CC43)cc2)c1,NYTJCFQSIOLFBJ-UHFFFAOYSA-N
-rxn:4:207846:222756,CCN1C(=O)C(=C2SC(=S)N(C3CCCC3)C2=O)c2cc(-c3cccc(CNC(=O)c4cccs4)c3)ccc21,WUOWXPVQCSXJJW-UHFFFAOYSA-N
-rxn:4:207856:225653,CC(C)N1CCN(C2CCCc3cc(-c4ccc(N5CCCCC5C)nc4)ccc32)CC1,NEDXECBCPPZJDH-UHFFFAOYSA-N
-rxn:4:207890:222859,Cc1c(-c2ccc(C(=O)NCCN(C)C)cc2)cnn1CC12CC3CC(CC(C3)C1)C2,KPVKBPLTKAVHGF-UHFFFAOYSA-N
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-rxn:4:207959:222928,Cc1ccc(C2=NN3C(C2)c2cc(-c4cnc(N5CCC(O)CC5)nc4C)ccc2OC3C2CCCCC2)cc1,CHQDZMUNJUTTCQ-UHFFFAOYSA-N
-rxn:4:209216:223593,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(N4CCOCC4)s3)cc2Cl)CC1,PURFQTGPQPOHLW-UHFFFAOYSA-N
-rxn:4:209428:223532,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)cc(-c3ccc(N4CCCC4)cn3)c2)CC1,UDIDFCKGUSNVLZ-UHFFFAOYSA-N
-rxn:4:210473:223536,Cn1ncc(-c2cc(F)c(F)c(N3CCN(C(=O)OC(C)(C)C)CC3)c2)c1C12COCC1O2,XYMDJXBRYNGHPM-UHFFFAOYSA-N
-rxn:4:210681:223534,CC(C)(C)OC(=O)N1CCC(Oc2cc(-c3ccc(C4=CSC5=NCCN45)cc3)c(F)cn2)CC1,VLKHKCAUEKWUTM-UHFFFAOYSA-N
-rxn:4:210681:223788,CC(C)(C)OC(=O)N1CC(Oc2ccc(-c3ccc(C4=CSC5=NCCN45)cc3)cc2)C1,DIVNUQFHHWUMLC-UHFFFAOYSA-N
-rxn:4:211060:223954,CN1CCN(C2CCCc3cc(-c4ccc(OCCN5CCC(=O)CC5)c(F)c4)ccc32)CC1,WWRJSCSNKCOMBS-UHFFFAOYSA-N
-rxn:4:211089:222514,COc1ccc(-c2ccc3c(c2)N2CCCCCC2=C(C#N)S3(=O)=O)cc1S(=O)(=O)NC1CCCCC1,YXMNRQYQXKOXRD-UHFFFAOYSA-N
-rxn:4:211098:223823,CC(C)(C)OC(=O)N1CCC(n2cc(-c3ccc4c(c3)C3CC(c5ccc(F)cc5)=NN3C3(CCCC3)O4)cn2)CC1,NXQZEZALXHMMBO-UHFFFAOYSA-N
-rxn:4:211100:224255,CC1CCC2(CC1)Oc1ccc(-c3cc(F)cc(C(=O)N4CCCC(C)C4)c3)cc1C1CC(c3ccc(Cl)cc3)=NN12,DJAVBNCOBFJGSV-UHFFFAOYSA-N
-rxn:4:211101:224883,Cc1ccc(C2=NN3C(C2)c2cc(-c4ccc(C(C)N5CCCCC5)cc4)ccc2OC32CCC(C)CC2)cc1,XZJAALJMRJTFQB-UHFFFAOYSA-N
-rxn:4:212511:223670,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2cnn(CC3CN(C(=O)CCC(F)(F)F)C3)c2)CC1,CKQFPIYUVGSMGM-UHFFFAOYSA-N
-rxn:4:212521:223151,N#CCNC(=O)c1ccc(-c2cnc(OC3CCN(S(=O)(=O)CCC(F)(F)F)C3)nc2)cc1,XSMHGUUEMAJJKI-UHFFFAOYSA-N
-rxn:4:212594:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cnc(OC4CCN(C(=O)CSC5CCCC5)C4)nc3)c2Cl)CC1,XCCSUZUBDKXSAX-UHFFFAOYSA-N
-rxn:4:212605:223080,CC(C)NS(=O)(=O)c1ccc(-c2cn(C)nc2OCC2CCN(C(=O)OC(C)(C)C)C2)cc1,MUYRDUZIZVRDEC-UHFFFAOYSA-N
-rxn:4:212609:222813,CC(C)(C)OC(=O)Nc1ncc(-c2nccn2CC2CCN(C(=O)OCc3ccccc3)CC2)cc1Cl,CWABFIXYNVWMMF-UHFFFAOYSA-N
-rxn:4:212628:226096,CC(C)CCOc1cccc(-c2cnc(OC3CCCN(C(=O)Cc4cccc(C(F)(F)F)c4)C3)nc2)c1,JBSAPKXYDAMCHT-UHFFFAOYSA-N
-rxn:4:212650:226088,CCN(CC)Cc1ccc(-c2cnc(OCC3CCCN(C(=O)CC(C)(C)C)C3)nc2)cc1,QDXHIKXXNUGWDK-UHFFFAOYSA-N
-rxn:4:212651:223926,CC(C)(C)OC(=O)N1CCN(Cc2cc([N+](=O)[O-])ccc2-c2ccc(CN3CCC4(CC3)OCCO4)cc2)CC1,NNSVKUHMVGEBQD-UHFFFAOYSA-N
-rxn:4:212664:225309,COc1ccccc1S(=O)(=O)N1CCC(COc2ncc(-c3cc(C4CC4)cc(C(F)(F)F)c3Cl)cn2)CC1,KXWACBNVBHQSMX-UHFFFAOYSA-N
-rxn:4:212677:224741,COc1cc(C2OCCO2)cc(OC)c1-c1ccc(CC(=O)N2CCC(COc3ccc(C)nn3)CC2)cc1,OFHPDLNDYNREKP-UHFFFAOYSA-N
-rxn:4:212678:223812,Cc1cnc(OCC2CCCN(C(=O)Cc3ccccc3-c3cc(F)cc(CN4CCC5(CC4)OCCO5)c3)C2)nc1,UAZQUXHPUACTRC-UHFFFAOYSA-N
-rxn:4:212685:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3ccc(S(=O)(=O)N4CCN(c5ccc(C(=O)OC)cc5[N+](=O)[O-])CC4)cc3)c2)CC1,CEULPZXGULNXOG-UHFFFAOYSA-N
-rxn:4:212691:225984,CN(C(=O)c1ccc(-c2cnc(Cl)c(N3CCOCC3)c2)nc1)C1CCN(C(=O)OC(C)(C)C)CC1,JGDYNFMFSMBXOY-UHFFFAOYSA-N
-rxn:4:212749:224439,Cc1ccc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)C(C)C3)c(N3CCCCC3)c2)cc1OCc1ccccc1,YRAPDQRNHMMRTM-UHFFFAOYSA-N
-rxn:4:212784:223637,CCOC(=O)N1CCN(C(=O)Cn2ccc3cc(-c4ccccc4C4CCCN(C(=O)OC(C)(C)C)C4)ccc32)CC1,QNJJYULZSSSWRE-UHFFFAOYSA-N
-rxn:4:212791:224158,CCOC(=O)c1nn2c(c1-c1ccc3c(ccn3C(=O)OC(C)(C)C)c1)CN(C(=O)OC(C)(C)C)CCC2,RLYHSMFLKDUNBQ-UHFFFAOYSA-N
-rxn:4:212814:226567,COC(=O)C(=O)c1ccc(-c2c3c(nn2C(=O)OC(C)(C)C)C(C)(C)N(C(=O)OC(C)(C)C)C3)cc1,NQSOMDCOGZQZDQ-UHFFFAOYSA-N
-rxn:4:212824:225898,COc1cc(C(=O)N2CCN(c3nc4ccc(-c5cnn(CCN6CCOCC6)c5)cc4s3)CC2)cc(OC)c1OC,OYMVDTUHBMSYNH-UHFFFAOYSA-N
-rxn:4:212831:224765,COC(=O)CN1C(CN2CCOCC2)=Nc2ccc(-c3cc(C(F)(F)F)ccc3N3CCCC3)cc2C1c1ccccc1,HRAIJBHBBKVFBT-UHFFFAOYSA-N
-rxn:4:212839:223064,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4ccc(C5CCNCC5)nc4F)ccn23)CC1,GYJOSRAJARPUBL-UHFFFAOYSA-N
-rxn:4:212839:227445,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4cnc(Cl)c(C5CCC5)c4)ccn23)CC1,PMLMHYLJGFCIFF-UHFFFAOYSA-N
-rxn:4:212888:223889,CN(Cc1ncc(-c2cccc3c2CN(C(=O)OC(C)(C)C)CC3)cn1)C(=O)OC(C)(C)C,JDNHTYXLLNPVER-UHFFFAOYSA-N
-rxn:4:212927:224394,Cc1ccc(-c2ccc(OCc3nc(C#N)c(N4CCOCC4)o3)cc2)cc1S(=O)(=O)N1CCOCC1,WTNBTYGKFSRQOL-UHFFFAOYSA-N
-rxn:4:212966:223938,CC(C)(C)OC(=O)N1CCC(Oc2ncc(-c3cc4cc(Cl)ccc4n3C(=O)OC(C)(C)C)cn2)C1,HQVJDYCVZYLBKP-UHFFFAOYSA-N
-rxn:4:212987:224853,CCOC(=O)c1c(-c2ccc(C3CCC(C)(C)CC3)cc2)c(CN2CCCCC2)nn1C,IBSZBSVCBPESLI-UHFFFAOYSA-N
-rxn:4:213002:228967,Cn1cc(-c2cnccc2OC2CCN(C(=O)CN3C(=O)CCC3=O)C2)c(C(F)F)n1,KUXGBQKJZXRZBO-UHFFFAOYSA-N
-rxn:4:213005:224483,COc1cnc(OC2CCN(C(=O)c3ccc(-c4ccc(OCCN5CCCCC5)cc4)o3)CC2)nc1,OMYRLYGFECLAAK-UHFFFAOYSA-N
-rxn:4:213007:224801,CCCOc1cc(-c2cnc(OC3CCN(C(=O)c4ccc(OC)c(F)c4)C3)nc2)cc(C(F)(F)F)c1F,XMWWRBTWZLUNDS-UHFFFAOYSA-N
-rxn:4:213011:225977,CC(C)C(=O)N1CCCC(COc2ncc(-c3cc(Cl)cnc3N3CCOCC3)cn2)C1,YSHXSNFQDHRSFC-UHFFFAOYSA-N
-rxn:4:213012:226009,COc1cc(OC(F)(F)F)ccc1-c1cnc(OC2CCN(C(=O)CC(C)C)CC2)nc1,FOEGDTJPDFKHPG-UHFFFAOYSA-N
-rxn:4:213040:224018,Cc1nc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCOCC2)cnc1OC1CCN(C(=O)OC(C)(C)C)C1,BEAZCBURBHTFPB-UHFFFAOYSA-N
-rxn:4:213042:225163,CC(C)(C)OC(=O)N1CCCC(Oc2cnc(-c3ccccc3C(=O)N3CCOCC3)cn2)C1,BHVQAZTZZMYHDJ-UHFFFAOYSA-N
-rxn:4:213045:225526,CCN(CC)C(=O)c1cccc(-c2cnc(OCC3CCCN(C(=O)C4CCC4)C3)nc2)c1,NFDQYZYLLPENJN-UHFFFAOYSA-N
-rxn:4:213051:224286,O=C(c1ccc(-c2ccc(OCCN3CCOCC3)c(Cl)c2)o1)N1CCCC(Cc2nc(C3CC3)no2)C1,HRBMVNKNWMQZEI-UHFFFAOYSA-N
-rxn:4:213071:224167,CN(Cc1ccc(-c2ccn(CC3CCN(C(=O)OC(C)(C)C)CC3)n2)cc1)C(=O)OC(C)(C)C,RLASIYARUANOPI-UHFFFAOYSA-N
-rxn:4:213078:225556,CC(C)(C)OC(=O)c1cccc(-c2cnn(C3CCN(C(=O)OC(C)(C)C)CC3)c2C(F)F)c1,ILLWLSIHOPNMBI-UHFFFAOYSA-N
-rxn:4:213080:224387,Cc1cn(-c2ccc(-c3cncc(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c3)c(C(F)(F)F)c2)cn1,SWFUJJFQUJNHOQ-UHFFFAOYSA-N
-rxn:4:213097:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2ccc(C3(C#N)CCN(C(=O)OC(C)(C)C)CC3)nc2)cc1,FWLVKMFGXHSEGO-UHFFFAOYSA-N
-rxn:4:213100:222448,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cc(C(=O)NCc4ccccc4)cc([N+](=O)[O-])c3)c(C(F)(F)F)n2)CC1,CETQTJYHHANCIM-UHFFFAOYSA-N
-rxn:4:213104:224541,O=C(CN1C(=O)CCC1=O)N1CCC(Oc2ncccc2-c2ccccc2OCc2cccc(Cl)c2)CC1,TXZGQMLAUZAOAB-UHFFFAOYSA-N
-rxn:4:213123:222497,O=C(Nc1ccc(-c2ccccc2CC(=O)N2CCN(c3ccnc(C(F)(F)F)c3)C(=O)C2)cc1Cl)OCc1ccccc1,IEWKJHBRDQIYHI-UHFFFAOYSA-N
-rxn:4:213123:226113,CC(C)CC(=O)c1ccc(-c2ccccc2CC(=O)N2CCN(c3ccnc(C(F)(F)F)c3)C(=O)C2)cc1,VNUCZTUBEGXBPP-UHFFFAOYSA-N
-rxn:4:213123:226420,O=C(Cc1ccccc1-c1ccc(F)c(N2CCCC2)c1)N1CCN(c2ccnc(C(F)(F)F)c2)C(=O)C1,KKMKCWCVMSQBRJ-UHFFFAOYSA-N
-rxn:4:213129:226235,CCCCOc1ccc(-c2cn(C3CCN(C(=O)OC(C)(C)C)CC3)c(OC)n2)c(C)n1,YPANPBGUGHYOJH-UHFFFAOYSA-N
-rxn:4:213132:223028,CCCNC(=O)c1ccc(F)c(-c2cnc(OCC3CCCN(C(=O)C(C)(C)C)C3)nc2)c1,ZSADRYAOIXTLEI-UHFFFAOYSA-N
-rxn:4:213139:225215,CC1CCN(c2nccc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)c([N+](=O)[O-])c3)c2Cl)CC1,GSRYVYPHZJRVMX-UHFFFAOYSA-N
-rxn:4:213139:226844,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2[N+](=O)[O-])CC1,OCQZMXFSDKYZKN-UHFFFAOYSA-N
-rxn:4:213157:222542,Cc1ccc(-c2cncc(C(=O)N3CC(Oc4cc(C)n(C5CC5)c(=O)c4)C3)c2)cc1OCCCN1CCNCC1,AWDFMNNFBBVRPS-UHFFFAOYSA-N
-rxn:4:213160:223540,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1cnc(OC2CCN(S(=O)(=O)c3ccccc3OC)CC2)nc1,BXAHNGCJKOTDPP-UHFFFAOYSA-N
-rxn:4:213178:223812,Cc1cc(C(=O)N2CCCC(COc3ncc(-c4cc(F)cc(CN5CCC6(CC5)OCCO6)c4)cn3)C2)c(C)o1,HDKKSKOUAVCVQR-UHFFFAOYSA-N
-rxn:4:213186:224337,O=C(C1CC(=O)N(c2cccc(-c3cnc(C(F)(F)F)c(C4CCCCC4)c3)c2)C1)N1CC(Oc2cccnc2)C1,ARRGKJKPOMIURR-UHFFFAOYSA-N
-rxn:4:213192:223003,CC(=O)N1CCN(c2cc(C(=O)OC(C)(C)C)cc(-c3ccc(Cl)c(C4CCNCC4)c3)n2)CC1,FNTFUFPBQCHUBA-UHFFFAOYSA-N
-rxn:4:213195:223834,Cc1cc(-c2cnc(OCC3CCN(C(=O)C4CCOCC4)CC3)nc2)cc(C)c1S(=O)(=O)N1CCN(C)CC1,CRUSJJAZFHNGGM-UHFFFAOYSA-N
-rxn:4:213203:222621,Cc1ccc(OCC2CCN(S(=O)(=O)c3ccc(-c4cc(CC(C)C)nc(C5CCCNC5)c4)cc3)CC2)nn1,MHAKOBZPUVWNHU-UHFFFAOYSA-N
-rxn:4:213220:228166,CCOc1cc(Cl)cc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)C(C)C3)c([N+](=O)[O-])c2)c1,AAGZRSJGMWOZKX-UHFFFAOYSA-N
-rxn:4:213222:223991,CC(C)(C)c1csc(CN2CCN(C(=O)c3ccc(-c4c(F)cc(F)c(O[Si](C)(C)C(C)(C)C)c4F)o3)CC2)n1,ARHZDMUMLQOVNT-UHFFFAOYSA-N
-rxn:4:213229:227628,CC1CN(c2cc(-c3cnc(C4CCC4)nc3Cl)cc(F)c2[N+](=O)[O-])CCN1C(=O)OC(C)(C)C,SUKYIBKKZMMTMT-UHFFFAOYSA-N
-rxn:4:213237:223278,CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1c1ncc(-c2ccc(-c3cnn(C4CCNCC4)c3)cc2)[nH]1,HUPUSSBNTPGFQM-QFIPXVFZSA-N
-rxn:4:213247:224322,CC1CCN(S(=O)(=O)c2ccc(-c3cnn(CC4CN(C(=O)C5(c6ccccc6)CCOCC5)C4)c3)cc2)CC1,MZKCWRUCICIDIL-UHFFFAOYSA-N
-rxn:4:213250:225170,CC(C)(C)c1ccc(C(=O)N2CCC(Oc3ncc(-c4cc(F)ccc4CN4CCOCC4)cn3)C2)cc1,UXWVVIJGCJEMON-UHFFFAOYSA-N
-rxn:4:213263:225746,CN(C)c1ccc(C(=S)N2CCN(C(=S)c3cccc(-c4cccnc4C(=O)OC(C)(C)C)c3)CC2)cc1,UVNCDBCKRWNPPI-UHFFFAOYSA-N
-rxn:4:213265:224620,CC(C)(C)[Si](C)(C)OCc1ccc(-c2ccc(C(=O)N3CCC(N4CCC(Oc5nccs5)CC4)CC3)o2)cn1,CVGSKCCCUBKHCC-UHFFFAOYSA-N
-rxn:4:213320:226322,COC(=O)c1nc(-c2ccc(C(=O)N(C)C)cc2C)n2c1CN(C(=O)OC(C)(C)C)CC2,SVOSZLQMMQEISK-UHFFFAOYSA-N
-rxn:4:213336:224862,COC(=O)c1nc(-c2c(OC(C)C)ccc3ccccc23)n2c1CCN(C(=O)OC(C)(C)C)CC2,FYFQRKIWELVAJD-UHFFFAOYSA-N
-rxn:4:213359:224917,Cc1cc(N2CCC(C)CC2)ccc1-c1ccc(-n2c(SCC(=O)N3CCCC3)nc3c(c2=O)SCC3)cc1,WZNBGHDMQYLBCQ-UHFFFAOYSA-N
-rxn:4:213383:224327,CCOc1ccc(C(=O)N2CCN(c3nc4ccc(-c5cccc(S(=O)(=O)N6CCCC(C)C6)c5)cc4s3)CC2)cc1,BGTCKMJPLDNJCW-UHFFFAOYSA-N
-rxn:4:213387:223498,CC(C)(C)OC(=O)N1CCC(Cn2cnc3cc(-c4ccc(C(=O)N5CCCN(C(=O)OC(C)(C)C)CC5)cc4)ccc32)CC1,JBJBRVXJDFFGTA-UHFFFAOYSA-N
-rxn:4:213406:222451,CCS(=O)(=O)c1ccccc1C(=O)N1CCN(c2nc3ccc(-c4ccc(S(=O)(=O)NCc5ccc(OC)cc5)cc4)cc3s2)CC1,IRAIWNULLNCMPK-UHFFFAOYSA-N
-rxn:4:213406:225896,CCS(=O)(=O)c1ccccc1C(=O)N1CCN(c2nc3ccc(-c4cc(OCCOC)c(F)cc4F)cc3s2)CC1,PRNMNOREPNQSRO-UHFFFAOYSA-N
-rxn:4:213415:225566,CC1(COc2ccc(-c3ccc(-n4c(SCC(=O)N5CCCCCC5)nc5c(c4=O)SCC5)cc3)cc2)COC1,CYVRMTNSTUZYDH-UHFFFAOYSA-N
-rxn:4:213453:222503,CC(C)C1N=C2c3ccccc3N=C(SCC(=O)c3ccc(-c4cc(F)cc(C(=O)NCc5ccc(F)cc5)c4)cc3)N2C1=O,MHNCVHRPLJDZMX-UHFFFAOYSA-N
-rxn:4:213453:223239,CC(C)C1N=C2c3ccccc3N=C(SCC(=O)c3ccc(-c4cncc(C5CCCN5)c4)cc3)N2C1=O,VGCJIIDTNZKCSN-UHFFFAOYSA-N
-rxn:4:213588:223689,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(C(=O)N4CC(Cn5ccnc5)C4)o3)ccc2OC)CC1,QAMMCKZQKSMSOM-UHFFFAOYSA-N
-rxn:4:213652:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1ccccc1S(=O)(=O)N1CCC(Oc2cnsn2)C1,RLMJKCIPWWZBGX-UHFFFAOYSA-N
-rxn:4:213664:222723,CCC(=O)N1CCC(Oc2ncc(-c3cccc(NS(=O)(=O)N4CCOCC4)c3)cn2)CC1,ZASXCALMIVEQMF-UHFFFAOYSA-N
-rxn:4:213787:222546,COc1cc(N2CCN(C(=O)c3ccc(-c4ccc(OCCNC5CCCCC5)c(F)c4)o3)CC2=O)ccn1,VIITWWRZHRTWIX-UHFFFAOYSA-N
-rxn:4:213800:222684,CC(C)(C)OC(=O)N1CCOCC1c1cc(-c2ccc(OCCN3CCNCC3)c(Cl)c2)ncn1,NQDWJSYCKFIDIV-UHFFFAOYSA-N
-rxn:4:213803:223945,CC(C)(C)OC(=O)N1CCOCC1c1ncc(-c2ccc(OCCCN3CCOCC3)c(F)c2)cn1,GGNAHFBJGFWDCR-UHFFFAOYSA-N
-rxn:4:213805:225436,CC(C)(C)OC(=O)N1CCOC(c2ncc(-c3ccc(CN4CCCCC4)cc3)cn2)C1,GELFBZVGCHCHIO-UHFFFAOYSA-N
-rxn:4:213849:223927,C[Si](C)(C)CCOCn1c(-c2cnc(OC3CCN(C(=O)C4CCCO4)CC3)nc2)cc2cccnc21,CRQGGGQBJRPNGE-UHFFFAOYSA-N
-rxn:4:213849:224196,CCN1CCN(Cc2cc(F)cc(-c3cnc(OC4CCN(C(=O)C5CCCO5)CC4)nc3)c2)CC1,QDOXDZYDFJSLBU-UHFFFAOYSA-N
-rxn:4:213880:223059,CC(C)(C)OC(=O)N1CCN(c2cnccc2-c2ccc(N3CCNCC3)cc2Cl)CC1,RVQUJERVCUUPBX-UHFFFAOYSA-N
-rxn:4:213884:223872,CCN(C(=O)c1cccc(-c2nccc(C3CCN(C(=O)OC(C)(C)C)CC3)n2)c1)C1CCCCC1,CMMPCUPVOLJRPI-UHFFFAOYSA-N
-rxn:4:213888:223649,CC(C)(C)OC(=O)N1CCN(c2cccc(-c3cncc(C4CCCN(C(=O)OC(C)(C)C)C4)n3)c2)CC1,WLTZNOWHIYHKLP-UHFFFAOYSA-N
-rxn:4:213893:222584,CC(C)(C)OC(=O)N1CCN(c2cncc(-c3ccc(OCCCN4CCNCC4)c(F)c3)c2)CC1,CPLSUTSERCTNKO-UHFFFAOYSA-N
-rxn:4:213901:226728,CC(C)(C)OC(=O)N1CCN(c2nc(Cl)ccc2-c2ccc(OCC(F)F)cc2F)CC1,QEOIKLCRVCYNIA-UHFFFAOYSA-N
-rxn:4:213910:223285,CS(=O)(=O)Nc1ccccc1-c1cccnc1OC1CCN(S(=O)(=O)N2CCOCC2)C1,YIQFCXWAOSEINL-UHFFFAOYSA-N
-rxn:4:213927:222634,Cc1cc(OC2CCN(C(=O)c3ccc(-c4ccc(OCCNC5CCCC5)c(F)c4)o3)CC2)nc(C)n1,CONUFQKPDNJZRJ-UHFFFAOYSA-N
-rxn:4:213946:224175,COc1ccc(C(=O)OCC(C)(C)C)c(-c2cnn(C3CCN(C(=O)OC(C)(C)C)CC3C)c2)c1,FCDXIUKUMAHRKO-UHFFFAOYSA-N
-rxn:4:213972:223670,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)c(C(F)(F)F)c2)CC1,WYLHDZKWDFFIHN-UHFFFAOYSA-N
-rxn:4:213994:226529,CCOC(=O)c1ccc(Cl)c(-c2cncc(N3CCN(C(=O)OC(C)(C)C)C[C@H]3C)c2)c1,VNQKJTPWETWXHQ-MRXNPFEDSA-N
-rxn:4:214000:227006,CC(C)COc1cccc(-c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3C)c(F)c2)c1,SDYJXKGGCIGXAQ-UHFFFAOYSA-N
-rxn:4:214002:224485,Cc1nccn1CC1CCN(S(=O)(=O)c2ccc(-c3ccn([Si](C(C)C)(C(C)C)C(C)C)c3)cc2)CC1,ROLALKCCTFSVFM-UHFFFAOYSA-N
-rxn:4:214014:224187,O=C(c1cncc(-c2ccc(OCCN3CCCCC3)cc2F)c1)N1CCCSCC1CN1CCCC1,ZHPLNEUTYMOGTL-UHFFFAOYSA-N
-rxn:4:214026:226981,CCCCCCc1ccsc1-c1cc(C(F)(F)F)cnc1N1CCCC(C(=O)N2CCOCC2)C1,GFWDVEDPCTXYOJ-UHFFFAOYSA-N
-rxn:4:214033:222601,CC(C)[C@H]1COC(c2cc(-c3cccc4sc(NC(=O)OC(C)(C)C)nc34)cc(C3=N[C@@H](C(C)C)CO3)n2)=N1,QJFOCHQMMCMTJA-FGZHOGPDSA-N
-rxn:4:214033:226643,CC(C)[C@H]1COC(c2cc(-c3ccc(N4CCOCC4)nc3)cc(C3=N[C@@H](C(C)C)CO3)n2)=N1,ZWYXYZIOEJDYNP-DHIUTWEWSA-N
-rxn:4:214033:227626,CC(C)[C@H]1COC(c2cc(-c3cnc(C4CCOC4)nc3)cc(C3=N[C@@H](C(C)C)CO3)n2)=N1,HHODALAPTHFSAM-NKDCDXMNSA-N
-rxn:4:214033:227863,CC(C)[C@H]1COC(c2cc(-c3ccc4c(c3)CCCO4)cc(C3=N[C@@H](C(C)C)CO3)n2)=N1,IBLOFPAUHJJFOM-DHIUTWEWSA-N
-rxn:4:214064:228562,CCC(C)c1csc(-c2ccc(CN3CCN(S(C)(=O)=O)CC3)c(N3CCOCC3)c2)c1,JWNLWCPUBYKKBL-UHFFFAOYSA-N
-rxn:4:214180:222826,CC(C)(C)OC(=O)N1CC(c2cc3ccc(-c4cccc(S(=O)(=O)N5CCNCC5)c4)cn3n2)C1,KEPFLJXUBDBZHO-UHFFFAOYSA-N
-rxn:4:214229:224161,CC(C)(C)OC(=O)N1Cc2ccc(-c3cnn(C4CC5CCC(C4)N5C(=O)OC(C)(C)C)c3)cc2C1,RXXLFADDTJOXRN-UHFFFAOYSA-N
-rxn:4:214254:222636,CC(C)[Si](C(C)C)(C(C)C)n1ncc2cc(-c3ccc([C@@H](C)NC(=O)OC(C)(C)C)cc3)cnc21,FTRRGBVVOBXEHJ-OAQYLSRUSA-N
-rxn:4:214254:222647,Cc1cc(-c2cnc3c(cnn3[Si](C(C)C)(C(C)C)C(C)C)c2)c(C)cc1NC(=O)OC(C)(C)C,FRJPRIKMTHQVPF-UHFFFAOYSA-N
-rxn:4:214349:225059,CC1CCN(c2ccc(-c3ccc(C(=O)N4CCC(Cn5nc6c(cc5=O)CCCC6)CC4)cc3)c(Cl)c2)CC1,CAIQNMZCNZONJK-UHFFFAOYSA-N
-rxn:4:214367:222426,COc1cc2c3cnn(Cc4cccc(-c5ccc6c(c5)C5(CCN(C(=O)OC(C)(C)C)CC5)C(=O)N6)c4)c(=O)c3n(C)c2cc1OC,AHMFXXMDRJJZAJ-UHFFFAOYSA-N
-rxn:4:214569:223712,COc1ccc(-c2c(C3CC3)cnn2S(=O)(=O)N(C)C)cc1C12CC3CC(CC(C3)C1)C2,OQLVKOOHZXYHCU-UHFFFAOYSA-N
-rxn:4:214628:223983,CCN1CCN(S(=O)(=O)c2ccccc2-c2ccc(C(=O)N3CCN(c4nccs4)C(=O)C3)o2)CC1,XBPWUDFTQIQQIB-UHFFFAOYSA-N
-rxn:4:214706:223994,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cnc(CC2CCCN(S(C)(=O)=O)C2)cn1,JHWIAACKASOQRI-UHFFFAOYSA-N
-rxn:4:214709:224726,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)N(CC)CC)c(C)c3)cn2)CC1,HJSVNBAPPBISHM-UHFFFAOYSA-N
-rxn:4:214777:224828,CCOc1cc(OC(F)(F)F)cc(-c2cc(N3CCN(C(C)C)CC3)c([N+](=O)[O-])cc2F)c1F,FGCJQGQELWKPQI-UHFFFAOYSA-N
-rxn:4:214818:224196,CCN1CCN(Cc2cc(F)cc(-c3cnc(N4CCN(C(=O)C5CCCO5)CC4)c(Cl)c3)c2)CC1,CXOZHLBXONXFAR-UHFFFAOYSA-N
-rxn:4:214835:225724,CN(C)CCOc1ccc(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCOCC3)C2)cc1F,VMWNJYALZYMCKJ-UHFFFAOYSA-N
-rxn:4:214837:222546,O=C(C1CN(c2ncc(-c3ccc(OCCNC4CCCCC4)c(F)c3)cc2Cl)CCO1)N1CCSCC1,SKLAEIQRVQASEL-UHFFFAOYSA-N
-rxn:4:214837:223595,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(N4CCOC(C(=O)N5CCSCC5)C4)c(Cl)c3)cc2F)CC1,PBJLPASQSMHMOP-UHFFFAOYSA-N
-rxn:4:214838:225518,CCCCCOc1ncc(C)cc1-c1cnc(N2CCOC(C(=O)N3CCOCC3)C2)c(F)c1,RPIFUERDJIBETJ-UHFFFAOYSA-N
-rxn:4:214862:222486,O=C(c1cncc(-c2cncc(-c3cncc(C4CCCCN4)c3)c2)c1)N1CCCN(C2CCSC2)CC1,VOQQMYLMRFVOIQ-UHFFFAOYSA-N
-rxn:4:214871:222801,Cc1ccc(-c2cnc(N3CCCC(C(=O)N4CCOCC4)C3)c(Cl)c2)cc1S(=O)(=O)NC(C)(C)C,HHKMJNDEMTYZAI-UHFFFAOYSA-N
-rxn:4:214872:222916,O=C(NC1=NCCS1)c1cccc(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCCCC3)C2)c1,SOIJHYIJVBEKIZ-UHFFFAOYSA-N
-rxn:4:214872:227252,CCCOc1cc(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCCCC3)C2)ccc1Cl,WPSGZBWXJHTWQE-UHFFFAOYSA-N
-rxn:4:214873:223988,O=C(C1CCCN(c2ncc(-c3ccc(Oc4cccc(C(F)(F)F)c4)nc3)cc2F)C1)N1CCOCC1,PTFRUAFQIOJNJR-UHFFFAOYSA-N
-rxn:4:214874:226293,O=C(C1CN(c2ncc(-c3ccc(OCC4CC4)c(Cl)c3)cc2F)CCO1)N1CCCCC1,NONGEMVWMIGVFD-UHFFFAOYSA-N
-rxn:4:214890:226719,CCOC(=O)c1cnc(Cl)c(-c2cncc(C(=O)N3CCCN(C4CCSCC4)CC3)c2)c1,KFRPFAIDVATKQB-UHFFFAOYSA-N
-rxn:4:215054:225129,CC(C)(C)OC(=O)c1ccc(-c2ncn3c2CCN(C(=O)OC(C)(C)C)C3=O)c(F)c1,QWVZLFLSJNIZGA-UHFFFAOYSA-N
-rxn:4:215056:222453,O=C1CCCN2N=C(SCc3ccc(-c4ccc(C(=O)Nc5ccccc5C(F)(F)F)cc4)cc3)SC2=N1,QUEAXIXLEBCXDM-UHFFFAOYSA-N
-rxn:4:215056:222923,Cc1ccc(-c2ccc(CSC3=NN4CCCC(=O)N=C4S3)cc2)cc1S(=O)(=O)NC1CC1,SSJDOIWBGHXPPY-UHFFFAOYSA-N
-rxn:4:215062:224712,CC(=O)OC(OC(C)=O)c1ccc(-c2ncc3n2CCN(C(=O)OC(C)(C)C)C3)cc1,CXHTXXWUKBALEH-UHFFFAOYSA-N
-rxn:4:215067:223840,COc1ccc(-c2n[nH]c3c2CN(C(=O)OC(C)(C)C)C3C)cc1S(=O)(=O)N1CCN(C)CC1,ZIHHYELNLREDMN-UHFFFAOYSA-N
-rxn:4:215097:223582,COC(=O)c1ccc2cc(-c3ncc4n3C(C)CN(C(=O)OC(C)(C)C)C4)n(C(=O)OC(C)(C)C)c2c1,QZGRKYKPNKHRRF-UHFFFAOYSA-N
-rxn:4:215102:223898,CC(C)N(C(=O)OC(C)(C)C)c1ccc(-c2cn3c(n2)CCN(C(=O)OC(C)(C)C)CC3)cc1,QNBXFVJTRBTLIQ-UHFFFAOYSA-N
-rxn:4:215106:223941,Cc1nn2c(c1-c1ccc3c(c1)CC(=O)N3C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)CC2,AKVPTDXOTIAWAA-UHFFFAOYSA-N
-rxn:4:215157:222439,O=C(c1ccccc1-c1ccc(S(=O)(=O)NC2CCCCC2)cc1C(F)(F)F)N1CCC(n2cnc3ccccc32)C1,AKIPERAAROCZIC-UHFFFAOYSA-N
-rxn:4:215215:223042,CC(C)NC(=O)c1ccc(-c2ccc3ccc(N4CCOC(C(=O)N5CCCC5)C4)nc3c2)cc1Cl,VUHVNMXUCCMXCY-UHFFFAOYSA-N
-rxn:4:215231:222882,Cc1nc2ccc(-c3cc(F)ccc3C(=O)NC(C)(C)C)cc2c(=O)n1CC1CCCN(C(C)C)C1,LRSZYHLWFNQGBU-UHFFFAOYSA-N
-rxn:4:215232:223777,CC(C)(C)OC(=O)N1CCc2c(ccc(-c3ccc4ccc(N5CCCC(C(=O)N6CCOCC6)C5)nc4c3)c2F)C1,XPOGRXIJZZRIGD-UHFFFAOYSA-N
-rxn:4:215296:225721,CCCN1CCC2(CC1)Oc1ccc(-c3ccc(C(=O)N(CC)CC)nc3)cc1C1CC(c3ccccc3)=NN12,DOWQDUCEUMXODH-UHFFFAOYSA-N
-rxn:4:215302:224321,CC1CCN(S(=O)(=O)c2cccc(-c3ccc4c(c3)C3CC(c5ccc(Cl)cc5)=NN3C3(CCN(Cc5ccccc5)CC3)O4)c2)CC1,GVEUEUPFCWXLRY-UHFFFAOYSA-N
-rxn:4:215710:223957,CC(C)(C)[Si](C)(C)OCc1c(F)cc(-c2cnc(N3CCC(F)(F)C3)c([N+](=O)[O-])c2)cc1F,VYECDOVKLHJBIJ-UHFFFAOYSA-N
-rxn:4:215766:222584,Cn1ncc(C(=O)N2CCOCC2)c1-c1ccc(OCCCN2CCNCC2)c(F)c1,MCDVIAHCYXTTCB-UHFFFAOYSA-N
-rxn:4:215907:224011,CN1CCN(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCN(C)CC4)c(F)c3)cn2)CC1,CXRDFHRZAUEQDB-UHFFFAOYSA-N
-rxn:4:215966:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3nc(C4CC4)cc(N4CCC(C)CC4)n3)cc2)CC1,BNOXCYLEVOOZOZ-UHFFFAOYSA-N
-rxn:4:215990:222923,Cc1ccc(-c2ccc(N3CCN(C4CCN(C)CC4)CC3)cc2)cc1S(=O)(=O)NC1CC1,PYYHVAVYZSWPBK-UHFFFAOYSA-N
-rxn:4:216196:224362,CCN(CC)S(=O)(=O)c1ccc(OC)c(-c2cnc(N3CC4CCCC4C3)c(C#N)c2)c1,ZQKUVBHFOXMJFT-UHFFFAOYSA-N
-rxn:4:216244:223596,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)ccc2-c2ccc(N3C(=O)CC(n4cnc5ccccc54)C3=O)cc2)CC1,FNYZXAWPWILMOX-UHFFFAOYSA-N
-rxn:4:216579:223541,Cn1nc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC3(CC2)OCCO3)cc1S(N)(=O)=O,DYLJBARKUFWQOL-UHFFFAOYSA-N
-rxn:4:218578:222552,CC(C)(C)OC(=O)N1CCC(CC#N)(n2cc(-c3ccc(C(=O)NCc4ccccc4)c(F)c3)cn2)CC1,AHTZBDRUWGYOKE-UHFFFAOYSA-N
-rxn:4:218664:225977,CN(C)c1ccc(C(=O)N2CCCC(COc3ncc(-c4cc(Cl)cnc4N4CCOCC4)cn3)C2)cc1,BQEDKAZOILQBQC-UHFFFAOYSA-N
-rxn:4:218675:222460,COc1cc(NS(=O)(=O)c2ccc(-c3cncc(C(=O)N4CCC(COc5cc(C6CCC6)ncn5)CC4)c3)cc2)ccc1F,MBWCMHVPTHYPFK-UHFFFAOYSA-N
-rxn:4:218686:222512,CN1CCN(CC#CCOC2CCN(c3ccncc3-c3cc(C(=O)Nc4ccccc4)cc([N+](=O)[O-])c3)CC2)CC1,BEOJWMOKMPZEHE-UHFFFAOYSA-N
-rxn:4:218695:222458,Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCn3nc(C)c(-c4cc(C(=O)Nc5cccc([N+](=O)[O-])c5)ccc4F)c3C)CC2)cc1,AKGWEWKRZGQDPL-UHFFFAOYSA-N
-rxn:4:218769:224120,Cc1cc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCCC4)CC3)c2)ccc1CO[Si](C)(C)C(C)(C)C,HZSSRPWQPFPIKO-UHFFFAOYSA-N
-rxn:4:218867:225633,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3ccc(N4CCCCCC4)nc3)c2)no1,HVWWSIXQBFRJEA-UHFFFAOYSA-N
-rxn:4:218878:224404,O=C(c1cncc(-c2ccc(S(=O)(=O)N3CCOCC3)c(F)c2)c1)N1CCC(COc2ncccn2)CC1,RZPMONZSCPETKE-UHFFFAOYSA-N
-rxn:4:218885:223753,Cc1ccc(-c2cnc(OCC3CCN(C(=O)c4scnc4C)CC3)nc2)cc1OCCCN1CCN(C)CC1,BYKBZUOAMIQWDR-UHFFFAOYSA-N
-rxn:4:218886:224818,Cc1ncsc1C(=O)N1CCCC(COc2ncc(-c3ccc(S(=O)(=O)N4CCSCC4)cc3)cn2)C1,AHZVHKRHKQLKBW-UHFFFAOYSA-N
-rxn:4:218887:222634,Cc1oncc1C(=O)N1CCC(COc2ncc(-c3ccc(OCCNC4CCCC4)c(F)c3)cn2)CC1,MTWWMMYDOAHHLQ-UHFFFAOYSA-N
-rxn:4:218894:223529,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cnc(N4CCC(COc5ccncc5Cl)CC4)c(C#N)c3)cc2F)CC1,QJNXHCWNIPQVQS-UHFFFAOYSA-N
-rxn:4:218896:223812,O=C(c1cncc(F)c1)N1CCCC(COc2ncc(-c3cc(F)cc(CN4CCC5(CC4)OCCO5)c3)cn2)C1,KMXOHLIQRDLSLQ-UHFFFAOYSA-N
-rxn:4:218896:224682,O=C(c1cncc(F)c1)N1CCCC(COc2ncc(-c3ccc(C(=O)N4CCCCC4)c(Cl)c3)cn2)C1,WNCFAHHBKNOGCN-UHFFFAOYSA-N
-rxn:4:218900:224376,CN1CCN(S(=O)(=O)c2cccc(-c3cnn(CC4CN(C(=O)c5cccc(N(C)C)c5)C4)c3)c2)CC1,ALDAYTIXQXJIJJ-UHFFFAOYSA-N
-rxn:4:218919:224256,Cc1cc(=O)n(CC(=O)N2CCC(Oc3ccncc3-c3ccc(Cl)c(C(=O)N4CCCCC4C)c3)C2)cn1,ZTKZVKOVLIZHLB-UHFFFAOYSA-N
-rxn:4:218943:224618,CN(c1cnc(-c2ccnc(CO[Si](C)(C)C(C)(C)C)c2)cn1)C1CCN(C(=O)OC(C)(C)C)C1,FLCYXMWAWMMDTK-UHFFFAOYSA-N
-rxn:4:218972:224171,Cc1nc(C)c(C(=O)N2CCCC(COc3ncc(-c4ccc(OCCCN5CCCC5)c(F)c4)cn3)C2)s1,SBOKHLMBMUVOHI-UHFFFAOYSA-N
-rxn:4:218972:224759,Cc1nc(C)c(C(=O)N2CCCC(COc3ncc(-c4cc(F)cc(C(=O)N5CCOCC5)c4)cn3)C2)s1,BMXMIQUVUGKFIQ-UHFFFAOYSA-N
-rxn:4:218973:222584,CCc1cnc(OC2CCN(C(=O)c3cncc(-c4ccc(OCCCN5CCNCC5)c(F)c4)c3)CC2)nc1,ARZLPCOGGXMJLY-UHFFFAOYSA-N
-rxn:4:218975:223999,Cc1cccnc1OCC1CCN(c2ncc(-c3cc(S(=O)(=O)N4CCC(C)CC4)ccc3F)cc2C#N)CC1,ZFJIVPMSHDARIN-UHFFFAOYSA-N
-rxn:4:219033:225170,O=C(Cc1ccc(-c2cc(F)ccc2CN2CCOCC2)cc1)N1CCN(c2ccc(C3CC3)nn2)CC1,HVTCABGNKOMZJV-UHFFFAOYSA-N
-rxn:4:219073:222911,COC(=O)c1cc(NC(C)=O)cc(-c2ccc(C(=O)N3CCN(c4ccc([N+](=O)[O-])c(N5CCCC5)c4)CC3)cc2)c1,GGKIMIIORVJSHI-UHFFFAOYSA-N
-rxn:4:219100:225001,CC(=O)Cn1c(-c2ccc(CN3CCCC(F)C3)cc2)nc2c1c(=O)n(CCC(C)C)c(=O)n2C,FTWMCHXKUNMWHQ-UHFFFAOYSA-N
-rxn:4:219144:224498,CCN1CCN(Cc2ccccc2-c2cnc(OC3CCN(CCN4C(=O)c5ccccc5C4=O)CC3)nc2)CC1,CWBLBEVFZGYBMA-UHFFFAOYSA-N
-rxn:4:219268:223832,COc1ccc(-c2cc(S(=O)(=O)N3CCC(C)CC3)ccc2OC)c(C(=O)N2CC(n3nccn3)C2)c1,QUSOUJVNULQZFO-UHFFFAOYSA-N
-rxn:4:219269:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1ccccc1S(=O)(=O)N1CC(Cn2cncn2)C1,RKXGLAJJSHQZLO-UHFFFAOYSA-N
-rxn:4:219364:223644,CCOC(=O)C1CCCN(C(=O)c2ccc(-c3cncc(C(=O)N4CCCC(Oc5ncc(Cl)cn5)C4)c3)cc2)C1,WQDNLTRXFBCNAE-UHFFFAOYSA-N
-rxn:4:219377:223812,CCn1ccnc1N1CCN(C(=O)c2ccc(-c3cc(F)cc(CN4CCC5(CC4)OCCO5)c3)o2)CC1,HIGKBLDURNMLGE-UHFFFAOYSA-N
-rxn:4:219381:222583,CSc1ncc(-c2ccc(C(=O)NCCN3CCOCC3)cc2)c(N2CCN(S(=O)(=O)C3CC3)CC2)n1,WKQGRQHEEDKPPY-UHFFFAOYSA-N
-rxn:4:219402:224607,CC(C)(C)OC(=O)N1CCN(c2cnc(-c3ccc(C(=O)OCC[Si](C)(C)C)cc3)cn2)CC1,ZYLNVKQNBBDSCU-UHFFFAOYSA-N
-rxn:4:219403:223754,CC1CCN(CCCOc2ccc(-c3cnn(CC4CN(C5CCN(C6CC6)C5=O)C4)c3)cc2Cl)CC1,ZQHDCLCKUCQMDW-UHFFFAOYSA-N
-rxn:4:219405:225090,CCOCc1cc(OC)c(-c2nccc(N3CCN(C(=O)OC(C)(C)C)CC3)n2)c(OC)c1,HUMSIDJVTUJJNA-UHFFFAOYSA-N
-rxn:4:219407:224718,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3ccc(OCCN4CCOCC4)nc3)cn2)CC1,UHGQDRWCOTVGLV-UHFFFAOYSA-N
-rxn:4:219410:223175,CCS(=O)(=O)Nc1cccc(-c2cnc(OC3CCN(S(=O)(=O)N4CCOCC4)C3)nc2)c1,XJPWBBIOVSQKBG-UHFFFAOYSA-N
-rxn:4:219418:224371,COC(=O)C1CCN(c2ncc(-c3cncc(C(=O)N4CCN(c5ccnc(OC)c5)C(=O)C4)c3)cn2)CC1,YZXVAIYOFHGKCX-UHFFFAOYSA-N
-rxn:4:219431:223481,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3ccccc3S(=O)(=O)N3CCC(n4cc(C5CC5)nn4)C3)c(F)c2)CC1,CGCXYLJPLRVSGU-UHFFFAOYSA-N
-rxn:4:219436:222769,N#Cc1cc(-c2ccc(C(=O)NC3CCCC3)c(F)c2)cnc1N1CCOC(C(=O)N2CCOCC2)C1,FJHWXVQQZZGZPK-UHFFFAOYSA-N
-rxn:4:219455:226521,COc1cc(OC)c(-c2n[nH]c(C3CCN(C(=O)OC(C)(C)C)CC3C)n2)c(OC)c1,LYIWGXOGLCWETR-UHFFFAOYSA-N
-rxn:4:219471:227480,CCCOc1nccc(-c2cnc(SC)nc2N2CCOC(C(=O)N3CCCC3)C2)c1Cl,CVERLFVMHQWZKF-UHFFFAOYSA-N
-rxn:4:219475:224593,CC1CCN(Cc2cc(-c3cccnc3OC3CCN(C(=O)c4ccc(=O)n(C)n4)CC3)ccc2F)CC1,JHTGLQGUBMNFHA-UHFFFAOYSA-N
-rxn:4:219489:222516,Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1ccc(S(=O)(=O)Nc2cccc(Cl)c2C)cc1,PIZALRFSEDGPDI-UHFFFAOYSA-N
-rxn:4:219498:228329,CCOc1cc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)nc2OC)c(Cl)cn1,DAICMZZWPNNVAN-UHFFFAOYSA-N
-rxn:4:219517:224573,CC1CCCCN1c1ccc(-c2cnc(OCC3CCCN(C4CCN(C)C4=O)C3)nc2)c(C#N)c1,VNOUMDUWXVKGHF-UHFFFAOYSA-N
-rxn:4:219532:222575,COc1nc(N2CCCC(C(=O)N3CCSCC3)C2)ncc1-c1ccc(C(=O)Nc2ccc(C)cc2Cl)cc1,AMSQCYAQBGGZLO-UHFFFAOYSA-N
-rxn:4:219535:223697,Cn1cc(S(=O)(=O)N2CCCN(C(=O)c3ccccc3-c3ccc(S(=O)(=O)N4CCCCC4)cc3C(F)(F)F)CC2)cn1,IBOMQSXUDWXRCG-UHFFFAOYSA-N
-rxn:4:219547:223812,O=C(c1cccc(-c2cc(F)cc(CN3CCC4(CC3)OCCO4)c2)c1)N1CCN(c2cc(-c3ccc(Cl)cc3)n[nH]2)CC1,IZUZKJPOOQZIAF-UHFFFAOYSA-N
-rxn:4:219552:226249,CCCCOc1cc(Cl)cc(-c2cnc(N3CCC(C(=O)N4CCC(F)(F)CC4)CC3)nc2OC)c1,OESUYUONQKSHBT-UHFFFAOYSA-N
-rxn:4:219627:226223,CCOCCOc1ccccc1-c1nnc(N2CC3CCC(C2)N3C(=O)OC(C)(C)C)s1,WUGJOZIRKHBXJQ-UHFFFAOYSA-N
-rxn:4:219653:224373,COc1ccc(-c2ccc3nc(N4CCN(C(=O)OC(C)(C)C)CC4)sc3n2)cc1S(=O)(=O)N1CCCC1,JQRAVAOCMVCTKK-UHFFFAOYSA-N
-rxn:4:219689:225982,CC(C)(C)OC(=O)N1CCN(c2ccc3ncc(-c4cnc(N5CCOCC5)cc4F)n3c2)CC1,PNAPTOPDLNTTIG-UHFFFAOYSA-N
-rxn:4:219704:222428,COc1ccc(CNS(=O)(=O)c2c(C)cc(-c3ccc4ncc(N5CCN(C(=O)OC(C)(C)C)CC5)nc4c3)cc2C)cc1,DQVCKTJKDCRQLX-UHFFFAOYSA-N
-rxn:4:219707:225313,CN1CCN(c2ccc(-c3c(Cl)cc4c(N5CCN(C(=O)OC(C)(C)C)CC5)ncnc4c3F)c(F)n2)CC1,ATSYHRLKRGEKIL-UHFFFAOYSA-N
-rxn:4:219727:223491,COc1ccc(-n2nc(-c3nc(-c4cccc(-c5cc(N6CCN(C(=O)OC(C)(C)C)CC6)cc(C(F)(F)F)c5)c4)no3)c3ccccc3c2=O)cc1,LZDNHEBCTNPHAN-UHFFFAOYSA-N
-rxn:4:219742:226037,COc1c(C(F)(F)F)ccc(-c2cncc(C(=O)N3CCC(Cn4nc5c(cc4=O)CCC5)CC3)c2)c1F,BTBQQUUOXNTBPO-UHFFFAOYSA-N
-rxn:4:219750:225109,COc1ccc(-c2cccc(OC(=O)OC(C)(C)C)c2)c(C(=O)N2CCCc3cnc(N4CCOCC4)nc32)c1,UODWWRNWKFVHPH-UHFFFAOYSA-N
-rxn:4:219766:225182,O=C(c1cncc(-c2ccnc(OC3CCCCC3)c2Cl)c1)N1CCC(Cn2nc3c(cc2=O)CCCC3)CC1,JRYXDLXAIXDNJQ-UHFFFAOYSA-N
-rxn:4:219904:222583,CN(C)S(=O)(=O)N1CCC(c2cnc(-c3ccc(C(=O)NCCN4CCOCC4)cc3)cn2)CC1,MFZZOOMNNBIATB-UHFFFAOYSA-N
-rxn:4:219904:224320,Cc1ccc(S(=O)(=O)N2CCCCC2)cc1-c1cnc(C2CCN(S(=O)(=O)N(C)C)CC2)cn1,UJOVTRDXUUIPSP-UHFFFAOYSA-N
-rxn:4:219931:224377,CN1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCCN(S(=O)(=O)C5CC5)CC4)nc3)cc2)CC1,LGBNAOORHBTELO-UHFFFAOYSA-N
-rxn:4:219950:222394,CSc1ncc(-c2ccc(C(=O)N[C@H]3CC[C@H](O)CC3)cc2)c(N2CCN(C3CCC3)CC2)n1,NYVBMRHVJKDAPO-AQYVVDRMSA-N
-rxn:4:219959:223096,CC(=O)Nc1ccc([N+](=O)[O-])c(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)nc2)c1,BSZZUZOTIKVZPA-UHFFFAOYSA-N
-rxn:4:219975:227613,O=C(C1CN(c2ncc(-c3cnn(C4CCOCC4)c3)cn2)CCO1)N1CCCCC1,QPIPEZIJOLGOTA-UHFFFAOYSA-N
-rxn:4:219995:223712,COc1ccc(-c2cccc(N3CCN(c4ccnc(C5CC5)n4)CC3)c2)cc1C12CC3CC(CC(C3)C1)C2,KQQBIJRSXOZNID-UHFFFAOYSA-N
-rxn:4:220118:223790,CC(C)(C)OC(=O)N1CCCC1c1cncc(-c2ccc3nc(OC4CCN(c5ncc(F)cn5)CC4)sc3c2)c1,LVTJBCRTKLDDCE-UHFFFAOYSA-N
-rxn:4:220124:222709,CC(C)(C)NC(=O)c1cc(-c2ccc(Cl)c(C(=O)N3C4CCC3CC(n3ccnn3)C4)c2)cc([N+](=O)[O-])c1,MNZYTCOSZFJKES-UHFFFAOYSA-N
-rxn:4:220133:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1ccccc1S(=O)(=O)N1C2CCC1CC(n1nccn1)C2,GGGJUHRTDWYNIC-UHFFFAOYSA-N
-rxn:4:220221:225172,CN1CCN(C(=O)c2cc3n(n2)CC(c2ccc(-c4cc(CN5CCOCC5)ccc4F)cc2)OC3)CC1,AIOJESHHUKILJH-UHFFFAOYSA-N
-rxn:4:220394:222607,CN1CCN(c2ncc(-c3ccc(NC4CCN(S(C)(=O)=O)CC4)cc3)cc2C#N)CC1,LMWAVNSWYATSFV-UHFFFAOYSA-N
-rxn:4:220525:223490,Cc1ccc(Cn2c(-c3ccc(C)c(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c3)nc3c2c(=O)n(C)c(=O)n3C)cc1,JPXKFNFZZNVZSL-UHFFFAOYSA-N
-rxn:4:220532:225189,Cc1cc(N2N=NC3C(=O)N(c4ccc(F)cc4)C(=O)C32)ccc1-c1cccc(CN2C(=O)CCC2=O)c1,QQWBKJDZEYZKLC-UHFFFAOYSA-N
-rxn:4:220533:224666,CN1CCN(Cc2cc(-c3cnc(N4CC(N5CC6CCCC6C5)C4)nc3)ccc2F)CC1,SRUWVWQHGOQFJB-UHFFFAOYSA-N
-rxn:4:220533:225296,O=S(=O)(c1ccc(-c2cnc(N3CC(N4CC5CCCC5C4)C3)nc2)cc1)N1CCCC1,XYEPTWAZVQTFGR-UHFFFAOYSA-N
-rxn:4:221097:224196,CCN1CCN(Cc2cc(F)cc(-c3cnc(OC4CCN(C(=O)CCc5c(C)n[nH]c5C)C4)nc3)c2)CC1,MXQPOMNPFKCYCY-UHFFFAOYSA-N
-rxn:4:221098:226521,COc1cc(OC)c(-c2cnc(OCC3CCN(C(=O)c4cn(C)nc4C(F)F)CC3)nc2)c(OC)c1,MARRRIUAUYXXTE-UHFFFAOYSA-N
-rxn:4:221110:222621,CC(C)Cc1cc(-c2cnc(N3CCC(OCC#CCN4CCN(C)CC4)CC3)nc2)cc(C2CCCNC2)n1,AODJOTFYUCANNN-UHFFFAOYSA-N
-rxn:4:221110:228890,CN1CCN(CC#CCOC2CCN(c3ncc(-c4cnc(F)c(C#N)c4)cn3)CC2)CC1,VQZYJYOBEAHPGD-UHFFFAOYSA-N
-rxn:4:221127:225048,CCOC(=O)C1CCN(c2nc3c(S(=O)(=O)c4ccc(-c5ccc(N6CCN(C)CC6)cc5C)cc4)nnn3c3ccsc23)CC1,PAEWRGPAIVTWQO-UHFFFAOYSA-N
-rxn:4:221152:224081,Cc1nnsc1C(=O)N1CCCC(COc2ncc(-c3ccccc3CCO[Si](C)(C)C(C)(C)C)cn2)C1,CJMRKTNQZHQQIM-UHFFFAOYSA-N
-rxn:4:221155:224171,N#Cc1ccncc1N1CCCC(COc2ncc(-c3ccc(OCCCN4CCCC4)c(F)c3)cn2)C1,XFDRBHDICMHWQE-UHFFFAOYSA-N
-rxn:4:221173:224759,Cn1nc(C(=O)N2CCCC(COc3ncc(-c4cc(F)cc(C(=O)N5CCOCC5)c4)cn3)C2)ccc1=O,QMDRSXUZCALVIZ-UHFFFAOYSA-N
-rxn:4:221175:222608,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4ccc(S(=O)(=O)Nc5cccc(Cl)c5)cc4)cn3)C2)C(=O)C1=O,PCVJOAYCRASDPW-UHFFFAOYSA-N
-rxn:4:221175:223642,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4cn(S(=O)(=O)c5ccc(C)cc5)c5ccccc45)cn3)C2)C(=O)C1=O,OXFWAKFPEDZGSE-UHFFFAOYSA-N
-rxn:4:221178:224620,CC(C)(C)[Si](C)(C)OCc1ccc(-c2cnc(N3CCC(COc4ccc(C5CC5)nn4)CC3)nc2)cn1,IMWFVLHZTSEUTM-UHFFFAOYSA-N
-rxn:4:221178:224647,CC(C)(C)[Si](C)(C)Oc1ccc(F)c(-c2cnc(N3CCC(COc4ccc(C5CC5)nn4)CC3)nc2)c1,WXZYPSCUAZIGIC-UHFFFAOYSA-N
-rxn:4:221179:223520,CC(c1ccc(-c2cnc(OCC3CCCN(c4ccnc(C5CC5)n4)C3)nc2)cc1)N1CCN(C(=O)OC(C)(C)C)CC1,LGMURMIITHZLJF-UHFFFAOYSA-N
-rxn:4:221180:225898,Cc1cc(C(=O)N2CCC(COc3ncc(-c4cnn(CCN5CCOCC5)c4)cn3)CC2)nn1C,HOQUGKNYYXAZGZ-UHFFFAOYSA-N
-rxn:4:221181:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnc(OCC4CCCN(C(=O)c5cc(C)n(C)n5)C4)nc3)c(F)c2)CC1,NCVPYSGIMSUEFD-PECFQXNXSA-N
-rxn:4:221194:223139,CC(C)c1nc(S(=O)(=O)N2CCC(Oc3ncc(-c4ccc(C5CCNCC5)nc4)cn3)CC2)cn1C,RXDVOCQPRUTGRU-UHFFFAOYSA-N
-rxn:4:221195:223812,O=C(c1ccc(-c2cc(F)cc(CN3CCC4(CC3)OCCO4)c2)cc1)N1CCC(Cn2nc(-n3cccn3)ccc2=O)CC1,ZTUDEQHBLXNDTF-UHFFFAOYSA-N
-rxn:4:221199:223699,O=C(Cn1nc(-c2ccc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3C(F)(F)F)cc2)ccc1=O)N1CCN(c2ccccn2)CC1,JIDDIIKEUWAPQO-UHFFFAOYSA-N
-rxn:4:221233:223916,Cc1cn2nc(OCC3CCN(C(=O)c4cncc(-c5ccc(C(=O)N6CCN(C(C)C)CC6)cc5)c4)CC3)ccc2n1,HDZNFZIPCZJJLX-UHFFFAOYSA-N
-rxn:4:221233:223945,Cc1cn2nc(OCC3CCN(C(=O)c4cncc(-c5ccc(OCCCN6CCOCC6)c(F)c5)c4)CC3)ccc2n1,IBPUKTOTUQHCQY-UHFFFAOYSA-N
-rxn:4:221252:223062,CCC1CCCCN1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(-c2cnc(C3CCNCC3)cc2F)cc1,BXVAJFDIRMMSJG-UHFFFAOYSA-N
-rxn:4:221266:224819,CCOC(=O)Cn1c(=O)c2c(nc3n(-c4ccc(-c5ccc(S(=O)(=O)N6CCOCC6)cc5)cc4)c(C)c(C)n23)n(C)c1=O,CTCXMUJLTSJOCW-UHFFFAOYSA-N
-rxn:4:221270:225984,CCOCCn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3cnc(Cl)c(N4CCOCC4)c3)cc2)n(C)c1=O,UKVIKFAXYLWGRQ-UHFFFAOYSA-N
-rxn:4:221311:223503,Cc1cnn(CC2CN(c3ncc(-c4c(F)cc(OC5CCN(C(=O)OC(C)(C)C)CC5)cc4F)cc3C#N)C2)c1,YLLIAJJOMUWZBP-UHFFFAOYSA-N
-rxn:4:221342:223595,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(N4CCC(COc5cnccn5)CC4)nc3)cc2F)CC1,MJMYXKMUGJMFCN-UHFFFAOYSA-N
-rxn:4:221353:223946,CCN(C(=O)OC(C)(C)C)c1ccc(-c2cncc(C(=O)N3CCC(n4cc(C5CC5)nn4)C3)c2)c(Cl)c1,ZMWCUNAQHWIQDP-UHFFFAOYSA-N
-rxn:4:221367:222546,Cc1cnc(OCC2CCCN(c3ncc(-c4ccc(OCCNC5CCCCC5)c(F)c4)cn3)C2)nc1,CQVQFUKEWUZDIL-UHFFFAOYSA-N
-rxn:4:221373:224759,Cc1n[nH]c(C)c1C(=O)N1CCCC(Oc2ncc(-c3cc(F)cc(C(=O)N4CCOCC4)c3)cn2)C1,AUPFRBLNBMKKHG-UHFFFAOYSA-N
-rxn:4:221391:224125,CSc1ncc(-c2ccc(CN3CCN(C4CC4)CC3)cc2)c(N2CCC(N(C)c3ccccn3)CC2)n1,XEAJGPKXKUNLCR-UHFFFAOYSA-N
-rxn:4:221395:223809,O=c1cc(C2CC2)ncn1CC1CCN(c2ncc(-c3cc(N4CCOCC4)cc(N4CCOCC4)c3)cn2)CC1,VVKAHYCKGUWXGV-UHFFFAOYSA-N
-rxn:4:221403:224155,CN1CCN(c2cc(-c3ccccc3CN3CCN(c4nccc(N(C)C)n4)CC3)cc(C3CC3)c2)CC1,QWBLGAVVLRRKDE-UHFFFAOYSA-N
-rxn:4:221409:222630,CN(C)c1nccc(N2CCN(Cc3ccc(-c4cc(C5CCC5)nc(C5CCNCC5)c4)cc3)CC2)n1,DZGFYBJECAVCPS-UHFFFAOYSA-N
-rxn:4:221420:224828,CCOc1cc(OC(F)(F)F)cc(-c2ccccc2C(=O)N2CCN(c3ccc(N4CCOCC4)nn3)CC2)c1F,LXYSFGCZEFFSJD-UHFFFAOYSA-N
-rxn:4:221422:225212,CN1CCN(c2cc(F)cc(-c3ccc(Cl)c(C(=O)N4CCN(c5ccc(N6CCOCC6)nn5)CC4)c3)c2)CC1,MGZIDVPXUGRSAF-UHFFFAOYSA-N
-rxn:4:221422:226236,CCCCOc1ncc(C)cc1-c1ccc(Cl)c(C(=O)N2CCN(c3ccc(N4CCOCC4)nn3)CC2)c1,QQLMZFBJUKUULE-UHFFFAOYSA-N
-rxn:4:221440:224853,Cc1cc(N2CCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C5CCC(C)(C)CC5)cc4)cc3)CC2)n1,XIDGTIOWEJHZOR-UHFFFAOYSA-N
-rxn:4:221441:224374,COc1ccc(S(=O)(=O)N2CCCC2)cc1-c1cccc(CN2CCN(c3nc(C)cc(N4CCOCC4)n3)CC2)c1,VGCABJJGUHPARH-UHFFFAOYSA-N
-rxn:4:221443:224759,Cc1nc(N2CCOCC2)cc(N2CCN(Cc3cccc(-c4cc(F)cc(C(=O)N5CCOCC5)c4)c3)CC2)n1,OLCIGTCHPPSGGU-UHFFFAOYSA-N
-rxn:4:221445:223180,CONC(=O)c1ccc(-c2cccc(CN3CCN(c4cc(C)nc(N5CCOCC5)n4)CC3)c2)cc1F,SGUXJBVUWJVQBF-UHFFFAOYSA-N
-rxn:4:221446:223140,Cc1cc(N2CCOCC2)nc(N2CCN(Cc3ccc(-c4ccnc(C5CCCNC5)c4)cc3)CC2)n1,OCEOQMYSWFOMHY-UHFFFAOYSA-N
-rxn:4:221447:226182,Cc1cc(N2CCN(Cc3ccc(-c4cccnc4C4CCCCC4)cc3)CC2)nc(N2CCOCC2)n1,PLXIMNDBDKEWSS-UHFFFAOYSA-N
-rxn:4:221448:223178,CONC(=O)c1ccc(F)c(-c2ccc(CN3CCN(c4cc(N5CCOCC5)nc(C)n4)CC3)cc2)c1,ASQQLSFGTSWXPY-UHFFFAOYSA-N
-rxn:4:221449:222833,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccc(NC(=O)CCC(C)C)c4)cc3)CC2)n1,XWPDGQVONVEGNM-UHFFFAOYSA-N
-rxn:4:221451:225174,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccccc3-c3ccc(F)cc3CN3CCOCC3)CC2)n1,XRNWDKALMHCJCA-UHFFFAOYSA-N
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-rxn:4:221492:223830,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(C(=O)N4CCC(c5nnc6ccc(OC)nn56)CC4)o3)ccc2C)CC1,JWYATLDEMMSDJG-UHFFFAOYSA-N
-rxn:4:221498:224666,CN1CCN(Cc2cc(-c3c[nH]c4ncnc(N5CCN(C(=O)OC(C)(C)C)CC5)c34)ccc2F)CC1,GORPHCMCEICLAS-UHFFFAOYSA-N
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-rxn:4:221596:223592,COCn1nc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2Cl)nc1N1CCN(C)CC1,JJEBRLKVUFTMPY-UHFFFAOYSA-N
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-rxn:4:222168:225005,CC(c1cccc(-c2cnc(N3CCN(c4cc(C5CCOCC5)ncn4)CC3)nc2)c1)N1CCOCC1,MCWXBTOQFLKYRI-UHFFFAOYSA-N
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-rxn:4:222331:224462,c1cc(N2CCOCC2)nc(N2CCN(c3ncc(-c4ccc(C5CCN(C6CC6)CC5)cc4)cn3)CC2)n1,SKTIUZJNPLJFFV-UHFFFAOYSA-N
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-rxn:5:177190:226583:222991,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCCC(O)C3)cc2)c(-c2ccc(CN3CCOCC3)s2)c1,UAYQHOFUJUQNDJ-UHFFFAOYSA-N
-rxn:5:177729:222994:226664,CC(C)(C)OC(=O)c1ccc(-c2cccc(N3CCC(O)CC3)c2)cc1-c1cc(N2CCCC2)ncc1F,UJMQZYUDYLWMHZ-UHFFFAOYSA-N
-rxn:5:177729:225439:223133,CC(c1cccc(-c2ccc(C(=O)OC(C)(C)C)c(-c3ccccc3N3CCNCC3)c2)c1)N1CCCC1,GZRKLMVSJHMKJJ-UHFFFAOYSA-N
-rxn:5:177732:223056:222990,CC(C)(C)OC(=O)c1ccc(-c2ccc(N3CCC(O)CC3)nc2)c(-c2ccc(N3CCC(O)CC3)cc2)c1,SOPXNJXWBNUVEN-UHFFFAOYSA-N
-rxn:5:177732:223056:222994,CC(C)(C)OC(=O)c1ccc(-c2ccc(N3CCC(O)CC3)nc2)c(-c2cccc(N3CCC(O)CC3)c2)c1,QIQLBFYFHODCBO-UHFFFAOYSA-N
-rxn:5:177733:222994:223056,CC(C)(C)OC(=O)c1cc(-c2ccc(N3CCC(O)CC3)nc2)cc(-c2cccc(N3CCC(O)CC3)c2)c1,CSUNLMCMBFYGKI-UHFFFAOYSA-N
-rxn:5:177734:223294:225980,Cc1cc(-c2csc(N3CCNCC3)n2)c(-c2cc(N3CCOCC3)ncc2F)cc1C(=O)OC(C)C,VZOGRZWNDJUBSU-UHFFFAOYSA-N
-rxn:5:177734:225980:223294,Cc1cc(-c2cc(N3CCOCC3)ncc2F)c(-c2csc(N3CCNCC3)n2)cc1C(=O)OC(C)C,RJZBSEVBTXJTLE-UHFFFAOYSA-N
-rxn:5:177735:223294:225980,Cc1cc(C(=O)OC(C)C)cc(-c2csc(N3CCNCC3)n2)c1-c1cc(N2CCOCC2)ncc1F,YYQRIDUGNUMXPX-UHFFFAOYSA-N
-rxn:5:177735:223294:225982,Cc1cc(C(=O)OC(C)C)cc(-c2csc(N3CCNCC3)n2)c1-c1cnc(N2CCOCC2)cc1F,JBKUBDWOCZYMIF-UHFFFAOYSA-N
-rxn:5:177735:226085:225450,Cc1cc(C(=O)OC(C)C)cc(-c2ccc3c(c2)CCC(C)(C)O3)c1-c1ccc(C(=O)C2CCCC2)cc1,XMIJIXGZCQOMFQ-UHFFFAOYSA-N
-rxn:5:177735:226663:225976,Cc1cc(C(=O)OC(C)C)cc(-c2ccc(N3CCSCC3)nc2)c1-c1ccnc(N2CCOCC2)c1F,LHAWGTJZEVKQKX-UHFFFAOYSA-N
-rxn:5:177736:225808:223294,CC(C)(C)OC(=O)c1ccc(-c2csc(N3CCNCC3)n2)c(-c2cc(OC3CCCC3)ncc2F)c1,CLWWBRZXGJEYSY-UHFFFAOYSA-N
-rxn:5:177736:225976:226649,CC(C)(C)OC(=O)c1ccc(-c2cccnc2N2CCOCC2)c(-c2ccnc(N3CCOCC3)c2F)c1,CUQKOIKSAUABEL-UHFFFAOYSA-N
-rxn:5:177738:225499:226150,COc1cc(-c2cccc(SC3CCCC3)c2)c(-c2ccc(C3CCCCC3)cc2F)cc1OC1CCC1,DDMQKVXBYZKOKQ-UHFFFAOYSA-N
-rxn:5:177739:223061:226794,CC(C)(C)OC(=O)c1cccc(-c2cc(C3CCNCC3)ncc2F)c1-c1cnc(N2CCSCC2)nc1,GSUIYSRVCNAEIJ-UHFFFAOYSA-N
-rxn:5:177739:223064:225438,CC(c1ccc(-c2c(C(=O)OC(C)(C)C)cccc2-c2ccc(C3CCNCC3)nc2F)cc1)N1CCCC1,KZPRPTJQEPITNJ-UHFFFAOYSA-N
-rxn:5:177850:227299:222981,CCOc1ccc(-c2cc(F)cc(CN(C)C)c2)c(C2OCCO2)c1-c1ccnc(NC2CCCCC2)c1,BCUBDHNCZYXUDH-UHFFFAOYSA-N
-rxn:5:177891:223285:223142,CS(=O)(=O)Nc1ccccc1-c1ccccc1C(=O)SC1CS(=O)(=O)CC1c1ccc(C2CCCNC2)nc1,TZYYOKHKOSHLHE-UHFFFAOYSA-N
-rxn:5:177891:223295:227438,CS(=O)(=O)Nc1cncc(-c2ccccc2C(=O)SC2CS(=O)(=O)CC2c2ccnc(C3CCOC3)c2)c1,RZBREFLDTINORR-UHFFFAOYSA-N
-rxn:5:177891:225798:228307,CON(C)c1cc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2ccc(OC3CCOCC3)nc2)ccn1,BSRUBOGGPIZGJZ-UHFFFAOYSA-N
-rxn:5:177891:226583:227654,O=C(SC1CS(=O)(=O)CC1c1ccc(C2OCCO2)nc1)c1ccccc1-c1ccc(CN2CCOCC2)s1,NLNHZQJIIDYTJF-UHFFFAOYSA-N
-rxn:5:177891:226586:226444,Cc1nc(C2CCCO2)ccc1C1CS(=O)(=O)CC1SC(=O)c1ccccc1-c1ccnc(OC2CCOC2)c1,CJCZZCSCDXFTLG-UHFFFAOYSA-N
-rxn:5:177891:227437:223147,O=C(SC1CS(=O)(=O)CC1c1ccc(C2CNCCO2)cc1)c1ccccc1-c1ccnc(C2CCCO2)c1,PQFRPKRIBQQIJY-UHFFFAOYSA-N
-rxn:5:177891:227438:225943,O=C(SC1CS(=O)(=O)CC1c1ccc(C(=O)N2CCOCC2)s1)c1ccccc1-c1ccnc(C2CCOC2)c1,YBBBWJYBYGMHSH-UHFFFAOYSA-N
-rxn:5:177891:227449:226649,O=C(SC1CS(=O)(=O)CC1c1cccnc1N1CCOCC1)c1ccccc1-c1ccc(C2CCOCC2)s1,MTTGTVJVMCRCFY-UHFFFAOYSA-N
-rxn:5:177891:228097:227613,CN(C)Cc1cncc(-c2ccccc2C(=O)SC2CS(=O)(=O)CC2c2cnn(C3CCOCC3)c2)c1,FTPKFEFVODGKDO-UHFFFAOYSA-N
-rxn:5:177891:228631:225799,O=C(SC1CS(=O)(=O)CC1c1cncc(OC2CCOCC2)c1)c1ccccc1-c1ccsc1C1CCC1,QNJIVNYDOAZNTF-UHFFFAOYSA-N
-rxn:5:178117:225499:227592,COc1cc(F)cc(-c2ccc(-c3ccc(C4CCCCC4)cc3F)cc2OCC2CCOCC2)c1OC,ZDSSXUFXJFIIEK-UHFFFAOYSA-N
-rxn:5:178119:225814:223286,Cc1cc(C(=O)OC(C)(C)C)cc(-c2cccc(C3(C(F)(F)F)CC3)c2)c1-c1cccc(NS(C)(=O)=O)c1,LHXSTAPITOBSET-UHFFFAOYSA-N
-rxn:5:178122:225447:227045,CC(C)(C)Sc1cccc(-c2cc(-c3ccc(OC4CCCCC4)cc3)ccc2COC2CCCCO2)c1,XBXPCMDIAKQTOA-UHFFFAOYSA-N
-rxn:5:178225:225407:227018,CC(C)(C#N)c1ccc(-c2c(OCC3CCCCC3)cccc2-c2ccc(C3CCCCCC3)cc2)cc1,JVQYJVFKAIZQBL-UHFFFAOYSA-N
-rxn:5:178225:225499:227587,COc1cc(-c2c(OCC3CCCCC3)cccc2-c2ccc(C3CCCCC3)cc2F)cc(F)c1OC,UYLMEMDEVBBICR-UHFFFAOYSA-N
-rxn:5:178295:223189:227810,CCC(C)c1ccc(-c2ccc(-c3ccc(NS(C)(=O)=O)cc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc1,UAWINCSJWSCEQZ-UHFFFAOYSA-N
-rxn:5:178295:223242:226144,COC(=O)C1(c2cc(-c3ccc(C#C[Si](C)(C)C)cc3)ccc2-c2ccnc(C3CCNC3)c2)CCC(=O)CC1,IMOWYCTWNUZCOD-UHFFFAOYSA-N
-rxn:5:178295:223271:227831,CCc1c(C)cc(-c2ccc(-c3ccc(F)c(NC(C)=O)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc1C,CENDVCQCRBTWLW-UHFFFAOYSA-N
-rxn:5:178295:225451:228796,COC(=O)C1(c2cc(-c3cc(OC)ccc3F)ccc2-c2ccc(SC3CCCCC3)cc2)CCC(=O)CC1,FZWZUNYYIHXYDO-UHFFFAOYSA-N
-rxn:5:178295:225453:227927,CCC(=O)c1cccc(-c2ccc(-c3cccc(SC4CCCCC4)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,YZNBQXQBDATEHS-UHFFFAOYSA-N
-rxn:5:178295:225498:228505,CCCc1ccc(-c2ccc(-c3cc(C4CCCCC4)ccc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc1,NPOYIPSXIBCFER-UHFFFAOYSA-N
-rxn:5:178295:225886:226060,COC(=O)C1(c2cc(-c3cc(C4CC4)cc(C4CC4)c3)ccc2-c2ccc3c(ccn3S(C)(=O)=O)c2)CCC(=O)CC1,LDUUBVYHWQPNFQ-UHFFFAOYSA-N
-rxn:5:178295:226061:223421,CNC(C)c1ccc(-c2ccc(-c3cc(C(C)C)cc(C4CC4)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)s1,KDNXEYZJHIUBKD-UHFFFAOYSA-N
-rxn:5:178295:226085:227810,CCC(C)c1ccc(-c2ccc(-c3ccc4c(c3)CCC(C)(C)O4)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc1,AZOYOLWVVQRJAP-UHFFFAOYSA-N
-rxn:5:178295:226150:227076,CCC(C)c1ccc(F)c(-c2ccc(-c3cccc(SC4CCCC4)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,ORSYWTUABJPSJN-UHFFFAOYSA-N
-rxn:5:178295:226211:225451,COC(=O)C1(c2cc(-c3ccc(SC4CCCCC4)cc3)ccc2-c2ccc3c(c2)CCN3C(C)=O)CCC(=O)CC1,HHQISKUFVMTMKJ-UHFFFAOYSA-N
-rxn:5:178295:226341:225453,COC(=O)C1(c2cc(-c3cccc(SC4CCCCC4)c3)ccc2-c2cc(C(C)C)c(F)cc2OC)CCC(=O)CC1,GNFWGZVINWWBGF-UHFFFAOYSA-N
-rxn:5:178295:226579:227940,CCc1cc(SC)cc(-c2ccc(-c3cc(F)cc(C(=O)N(C)C)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,XZFLBWKPIQVOHH-UHFFFAOYSA-N
-rxn:5:178295:226907:228431,COC(=O)C1(c2cc(-c3cc(F)cc(F)c3SC)ccc2-c2cccc3c2CCC32CC2)CCC(=O)CC1,DUWBLWGAASGKFG-UHFFFAOYSA-N
-rxn:5:178295:226916:228177,COCc1ccc(F)cc1-c1ccc(-c2cccc(C3=CCCC3)c2)c(C2(C(=O)OC)CCC(=O)CC2)c1,SEOMZPUCOFVIIR-UHFFFAOYSA-N
-rxn:5:178295:226919:228179,COCc1cc(F)cc(-c2ccc(-c3cccc(C4CCCC4)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,GMLSNJSGAALEOU-UHFFFAOYSA-N
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-rxn:5:180749:223007:225799,O=C(c1ccc(-c2cncc(OC3CCOCC3)c2)cc1)c1cc2c(cc1-c1cc(F)cc(C3CCNCC3)c1)OCCO2,NNAWHHNTNLLIAJ-UHFFFAOYSA-N
-rxn:5:180749:223007:225803,O=C(c1ccc(-c2ccnc(OC3CCOCC3)c2)cc1)c1cc2c(cc1-c1cc(F)cc(C3CCNCC3)c1)OCCO2,NSNJNOUBKFLIAA-UHFFFAOYSA-N
-rxn:5:180749:225514:223062,O=C(c1ccc(-c2cnc(C3CCNCC3)cc2F)cc1)c1cc2c(cc1-c1cccc3c1OCC1(CC1)CO3)OCCO2,HBIWMYCMLJNQNL-UHFFFAOYSA-N
-rxn:5:180749:225798:223002,O=C(c1ccc(-c2ccc(C3CCNCC3)cc2F)cc1)c1cc2c(cc1-c1ccc(OC3CCOCC3)nc1)OCCO2,JWWYCQAKUKEHNF-UHFFFAOYSA-N
-rxn:5:180749:225798:223007,O=C(c1ccc(-c2cc(F)cc(C3CCNCC3)c2)cc1)c1cc2c(cc1-c1ccc(OC3CCOCC3)nc1)OCCO2,KJKCHTKPOSIOQE-UHFFFAOYSA-N
-rxn:5:180749:225798:223062,O=C(c1ccc(-c2cnc(C3CCNCC3)cc2F)cc1)c1cc2c(cc1-c1ccc(OC3CCOCC3)nc1)OCCO2,IOMMGADPOGLKDJ-UHFFFAOYSA-N
-rxn:5:180749:225798:223064,O=C(c1ccc(-c2ccc(C3CCNCC3)nc2F)cc1)c1cc2c(cc1-c1ccc(OC3CCOCC3)nc1)OCCO2,PLTUAEWYEKMXGR-UHFFFAOYSA-N
-rxn:5:180749:225799:223002,O=C(c1ccc(-c2ccc(C3CCNCC3)cc2F)cc1)c1cc2c(cc1-c1cncc(OC3CCOCC3)c1)OCCO2,XTCMILWQSMQSNP-UHFFFAOYSA-N
-rxn:5:181621:225466:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2ccc(N3CCCCC3C)cc2)cc(C2OCCO2)c1,RMWFBGFZNNOFDH-UHFFFAOYSA-N
-rxn:5:181624:222958:225607,Cc1ccc(-c2ccc(C3OCCO3)c(-c3ccc(C(C)N4CCCCC4)s3)c2)cc1C1CCNCC1,ZFFUSYKJZQGNLD-UHFFFAOYSA-N
-rxn:5:181630:225832:225469,Cc1nn(C2CCCCO2)c(C)c1-c1cccc(C2OCCO2)c1-c1ccc(N2CCCC(C)C2)cc1,MDNQEOGESUJXHM-UHFFFAOYSA-N
-rxn:5:181904:222959:225466,Cc1cc(-c2ccc(C3OCCO3)c(C)c2-c2ccc(N3CCCCC3C)cc2)ccc1C1CCNCC1,GBWKKZVHRXDRIZ-UHFFFAOYSA-N
-rxn:5:181904:225988:226686,Cc1cnn(C2CCCCO2)c1-c1c(-c2c(F)cc(C3OCCO3)cc2F)ccc(C2OCCO2)c1C,MCUGFCVHPVYKMJ-UHFFFAOYSA-N
-rxn:5:181905:225438:226686,Cc1ccc(-c2c(C)cnn2C2CCCCO2)c(C2OCCO2)c1-c1ccc(C(C)N2CCCC2)cc1,RCLYGKGNHSDCSB-UHFFFAOYSA-N
-rxn:5:181905:225453:225805,Cc1ccc(-c2ccc(C(C)N3CCOCC3)s2)c(C2OCCO2)c1-c1cccc(SC2CCCCC2)c1,CTSSHHRGBPNXBU-UHFFFAOYSA-N
-rxn:5:181905:225462:225832,Cc1ccc(-c2c(C)nn(C3CCCCO3)c2C)c(C2OCCO2)c1-c1cccc(N2CCC(C)CC2)c1,ZPOYCDLHJIEFFM-UHFFFAOYSA-N
-rxn:5:181905:225607:226186,Cc1ccc(-c2ccccc2C2CCOCC2)c(C2OCCO2)c1-c1ccc(C(C)N2CCCCC2)s1,LHHZBGVVNBRQSH-UHFFFAOYSA-N
-rxn:5:181906:222994:225653,Cc1ccc(-c2cccc(N3CCC(O)CC3)c2)c(C2OCCO2)c1-c1ccc(N2CCCCC2C)nc1,PPGRHDFTUTYSLO-UHFFFAOYSA-N
-rxn:5:181906:222998:226686,Cc1ccc(-c2cc(F)cc(C3CCCNC3)c2)c(C2OCCO2)c1-c1c(C)cnn1C1CCCCO1,WHKODSGYQTWJNG-UHFFFAOYSA-N
-rxn:5:181906:225453:225636,Cc1ccc(-c2cccc(SC3CCCCC3)c2)c(C2OCCO2)c1-c1ccnc(N2CCC(C)CC2)c1,HSNGVQJQWKNNAA-UHFFFAOYSA-N
-rxn:5:181906:225832:226183,Cc1ccc(-c2c(C)nn(C3CCCCO3)c2C)c(C2OCCO2)c1-c1cnccc1C1CCCCC1,WEKKHHAWLDYFAG-UHFFFAOYSA-N
-rxn:5:181907:222958:225439,Cc1cc(-c2ccc(C)c(C3CCNCC3)c2)c(-c2cccc(C(C)N3CCCC3)c2)c(C2OCCO2)c1,VDUUDEKGPOBCQH-UHFFFAOYSA-N
-rxn:5:181907:222994:225639,Cc1cc(-c2cccc(N3CCC(O)CC3)c2)c(-c2cccnc2N2CCC(C)CC2)c(C2OCCO2)c1,KTXWSUSMJUDEAI-UHFFFAOYSA-N
-rxn:5:181907:223186:225832,Cc1cc(-c2cnn(C3CCCCO3)c2)c(-c2c(C)nn(C3CCCCO3)c2C)c(C2OCCO2)c1,NPDPHPURFCWJGS-UHFFFAOYSA-N
-rxn:5:181907:225470:225656,Cc1cc(-c2ccc(N3CCC(C)CC3)cc2)c(-c2cncc(N3CCCCC3C)c2)c(C2OCCO2)c1,RSBCSNHUKJQMJH-UHFFFAOYSA-N
-rxn:5:181907:225633:225462,Cc1cc(-c2ccc(N3CCCCCC3)nc2)c(-c2cccc(N3CCC(C)CC3)c2)c(C2OCCO2)c1,ASOJRHAPIUGURO-UHFFFAOYSA-N
-rxn:5:181907:225832:225514,Cc1cc(-c2c(C)nn(C3CCCCO3)c2C)c(-c2cccc3c2OCC2(CC2)CO3)c(C2OCCO2)c1,BWAMGNCMTIGHAX-UHFFFAOYSA-N
-rxn:5:181907:226330:225514,Cc1cc(-c2ccc(C(C)N3CCCC3)s2)c(-c2cccc3c2OCC2(CC2)CO3)c(C2OCCO2)c1,ZZYGUFVMOTZNNL-UHFFFAOYSA-N
-rxn:5:181908:222998:222960,Cc1cc(-c2cc(C3OCCO3)c(C)cc2-c2cc(F)cc(C3CCCNC3)c2)cc(C2CCNCC2)c1,GCFNYOSFFHORLW-UHFFFAOYSA-N
-rxn:5:181908:225407:225654,Cc1cc(-c2ccc(C3CCCCCC3)cc2)c(-c2ccc(N3CCCC(C)C3)nc2)cc1C1OCCO1,ZZCSALKWBIOQPN-UHFFFAOYSA-N
-rxn:5:181908:225465:225985,Cc1cc(-c2cccc(C3CCN(C)CC3)c2)c(-c2cccc(N3CCCS3(=O)=O)c2)cc1C1OCCO1,SWVDMGFYVPUFJJ-UHFFFAOYSA-N
-rxn:5:181908:225633:225407,Cc1cc(-c2ccc(N3CCCCCC3)nc2)c(-c2ccc(C3CCCCCC3)cc2)cc1C1OCCO1,INBNNDSQEHPYOH-UHFFFAOYSA-N
-rxn:5:181908:225638:225641,Cc1cc(-c2ccc(N3CCC(C)CC3)nc2)c(-c2ccnc(N3CCCC(C)C3)c2)cc1C1OCCO1,ZVFJPHBQIXQZKM-UHFFFAOYSA-N
-rxn:5:181908:225652:222957,Cc1cc(-c2cc(C3OCCO3)c(C)cc2-c2cncc(N3CCCC(C)C3)c2)cc(C2CCCNC2)c1,UODLCRDDAZPDOJ-UHFFFAOYSA-N
-rxn:5:181908:225683:222996,Cc1cc(-c2ccc(C3CCCOC3)nc2C)c(-c2ccc(F)cc2C2CCCNC2)cc1C1OCCO1,SKGVTDOZDNEROA-UHFFFAOYSA-N
-rxn:5:181908:226330:225985,Cc1cc(-c2ccc(C(C)N3CCCC3)s2)c(-c2cccc(N3CCCS3(=O)=O)c2)cc1C1OCCO1,MFRUXIIUYAPACN-UHFFFAOYSA-N
-rxn:5:181908:226427:225451,Cc1cc(-c2cc(N3CCC(C)CC3)cs2)c(-c2ccc(SC3CCCCC3)cc2)cc1C1OCCO1,CQAWBCKNDNSGDG-UHFFFAOYSA-N
-rxn:5:182010:222957:225636,Cc1cc(-c2cc(-c3ccnc(N4CCC(C)CC4)c3)ccc2C2CCOCC2)cc(C2CCCNC2)c1,LUEHRPRILQJGEA-UHFFFAOYSA-N
-rxn:5:182010:225832:223140,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2ccnc(C3CCCNC3)c2)ccc1C1CCOCC1,UKBUNDCGEUFWIZ-UHFFFAOYSA-N
-rxn:5:182010:225832:227119,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2cc(C3CCCCC3)cs2)ccc1C1CCOCC1,QRTFOYWLLDBQPT-UHFFFAOYSA-N
-rxn:5:182012:222959:225394,Cc1cc(-c2ccc(-c3cc(C4CCC4)cc(C4CC4)c3)c(C3CCCOC3)c2)ccc1C1CCNCC1,RFVBNXYBFBXOEW-UHFFFAOYSA-N
-rxn:5:182012:225832:223137,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2cncc(C3CCCNC3)c2)c(C2CCCOC2)c1,NONPFDQJFWYZJD-UHFFFAOYSA-N
-rxn:5:182012:226686:225466,Cc1cnn(C2CCCCO2)c1-c1ccc(-c2ccc(N3CCCCC3C)cc2)c(C2CCCOC2)c1,BHLMTWCAZYSSDM-UHFFFAOYSA-N
-rxn:5:183189:223137:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc2c(c(-c3cncc(C4CCCNC4)c3)c1)OC(C)(C)OC2,GASGPDGQWABTOM-UHFFFAOYSA-N
-rxn:5:183189:225470:226686,Cc1cnn(C2CCCCO2)c1-c1cc2c(c(-c3ccc(N4CCC(C)CC4)cc3)c1)OC(C)(C)OC2,KOPXOHUQIFUMEQ-UHFFFAOYSA-N
-rxn:5:183189:226186:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc2c(c(-c3ccccc3C3CCOCC3)c1)OC(C)(C)OC2,QGFDMBMXNSFYHV-UHFFFAOYSA-N
-rxn:5:183228:226686:226686,Cc1cnn(C2CCCCO2)c1-c1cc2c(c(-c3c(C)cnn3C3CCCCO3)c1)OC(C)(C)CC2,GZJOTHCLGWADQX-UHFFFAOYSA-N
-rxn:5:188459:225834:226180,COC(=O)c1cc([N+](=O)[O-])c(-c2cc(N3CCCCC3)ncc2F)cc1-c1cc(C)nc(C2CCCC2)c1,GKQCCRVOMKIGCQ-UHFFFAOYSA-N
-rxn:5:188867:226583:223064,CC(C)OC(=O)c1cc(-c2ccc(C3CCNCC3)nc2F)ncc1-c1ccc(CN2CCOCC2)s1,CLLDINWBGZRYIG-UHFFFAOYSA-N
-rxn:5:188868:225639:225976,CC1CCN(c2ncccc2-c2c(C(=O)OC(C)C)ccnc2-c2ccnc(N3CCOCC3)c2F)CC1,DJJPFJLUZYLLAB-UHFFFAOYSA-N
-rxn:5:188930:223056:223135,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccc(N3CCC(O)CC3)nc2)cc1-c1cccnc1C1CCCNC1,LTYNBWIFUPPMSL-UHFFFAOYSA-N
-rxn:5:188930:223139:225639,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccc(C3CCNCC3)nc2)cc1-c1cccnc1N1CCC(C)CC1,RBZBXYMNKXKSCG-UHFFFAOYSA-N
-rxn:5:188930:226382:225671,COC(=O)c1cc(S(N)(=O)=O)c(-c2cnc(C3CCCCC3)nc2)cc1-c1cc(C2CCCCC2)ncc1F,BCHLURQBNRZKMK-UHFFFAOYSA-N
-rxn:5:189001:223065:227656,COC(=O)C1(c2nc(-c3cc(N4CCOCC4)cs3)ccc2-c2ccc(N3CCNCC3)cc2F)CC1,JZLAACNBDGSYEV-UHFFFAOYSA-N
-rxn:5:189001:223065:227657,COC(=O)C1(c2nc(-c3ccc(N4CCOCC4)s3)ccc2-c2ccc(N3CCNCC3)cc2F)CC1,ODRRLGGTGKVRHF-UHFFFAOYSA-N
-rxn:5:189207:226645:227977,COc1cc(C)c(-c2ccc(-c3ccnc(N4CCOCC4)c3)cc2C(=O)ON2C(=O)CCC2=O)cc1C,MNOFFBZQFVMZJM-UHFFFAOYSA-N
-rxn:5:189208:225985:228151,COC(=O)c1cccc(-c2cc(-c3cccc(N4CCCS4(=O)=O)c3)ccc2C(=O)ON2C(=O)CCC2=O)c1,QCVWPNQIZHDDQZ-UHFFFAOYSA-N
-rxn:5:189211:227085:225576,N#Cc1cc(-c2c(C(=O)ON3C(=O)CCC3=O)cccc2-c2ccc(C3CCCC3)nc2)ccc1N1CCCC1,RTEVTUQVSAIBDO-UHFFFAOYSA-N
-rxn:5:189212:226395:226046,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccnc(C(F)(F)C(F)(F)F)c2)c(-c2cncc(N3CCCCC3)c2)c1,QBMFOSHYRCOMIE-UHFFFAOYSA-N
-rxn:5:189319:226663:225462,CC1CCN(c2cccc(-c3ccc(-c4ccc(N5CCSCC5)nc4)c(C(=O)OC(C)(C)C)n3)c2)CC1,HUKHWJUYKFCXFV-UHFFFAOYSA-N
-rxn:5:189319:226663:225470,CC1CCN(c2ccc(-c3ccc(-c4ccc(N5CCSCC5)nc4)c(C(=O)OC(C)(C)C)n3)cc2)CC1,RMMFHHDFUOIWMV-UHFFFAOYSA-N
-rxn:5:189320:225879:223294,CC(C)(C)OC(=O)c1cnc(-c2csc(N3CCNCC3)n2)c(-c2ccc(N3CCOCC3)cc2F)c1,CUMSACFHDWRHNZ-UHFFFAOYSA-N
-rxn:5:189320:225982:226649,CC(C)(C)OC(=O)c1cnc(-c2cccnc2N2CCOCC2)c(-c2cnc(N3CCOCC3)cc2F)c1,HVEVBALGIQYTQW-UHFFFAOYSA-N
-rxn:5:189322:226794:225808,CC(C)(C)OC(=O)c1cc(-c2cnc(N3CCSCC3)nc2)cnc1-c1cc(OC2CCCC2)ncc1F,FVODLMFCXJAWDE-UHFFFAOYSA-N
-rxn:5:189448:226663:223061,COC1CN(C(=O)c2ccc(-c3ccc(N4CCSCC4)nc3)c(-c3cc(C4CCNCC4)ncc3F)c2)C1,SRWAKZBWZLMKKG-UHFFFAOYSA-N
-rxn:5:189449:226152:226150,COc1cc(C2CC2)cc(-c2ccc(-c3cccc(SC4CCCC4)c3)cc2C(=O)N2CC(OC)C2)c1C,NSEYSLLZVKLXDG-UHFFFAOYSA-N
-rxn:5:189538:225453:226182,CC(C)N(C)C(=O)c1ccc(-c2cccc(SC3CCCCC3)c2)c(-c2cccnc2C2CCCCC2)c1,IUPHWFBUQQFXGP-UHFFFAOYSA-N
-rxn:5:189667:225407:225498,CC(C)(C)[S@](=O)/N=C/c1cc(-c2ccc(C3CCCCCC3)cc2)cc(-c2cc(C3CCCCC3)ccc2F)c1,RXDRKNKGYMFAKA-DTCQMPEUSA-N
-rxn:5:189667:225499:223286,CC(C)(C)[S@](=O)/N=C/c1cc(-c2cccc(NS(C)(=O)=O)c2)cc(-c2ccc(C3CCCCC3)cc2F)c1,BLIHPLMLFNUIGB-VQAYXTAGSA-N
-rxn:5:189668:225499:227052,CC(C)(C)Sc1ccc(-c2ccc(CC(=O)N3CCCC3)c(-c3ccc(C4CCCCC4)cc3F)c2)cc1,WVAZWGVHUNNBFM-UHFFFAOYSA-N
-rxn:5:189669:225450:227045,CC(C)(C)Sc1cccc(-c2cc(/C=N/S(=O)C(C)(C)C)ccc2-c2ccc(C(=O)C3CCCC3)cc2)c1,FEKIPYAJIIQVEJ-PPOKSSTKSA-N
-rxn:5:189670:225407:223286,CC(C)(C)S(=O)/N=C/c1cc(-c2ccc(C3CCCCCC3)cc2)ccc1-c1cccc(NS(C)(=O)=O)c1,QIAXYJAPUROPGR-WEMUVCOSSA-N
-rxn:5:189672:225407:226919,CC(C)(C)S(=O)/N=C/c1cccc(-c2ccc(C3CCCCCC3)cc2)c1-c1cccc(C2CCCC2)c1,JHBBGEJFZKAMIK-YRRMYEEHSA-N
-rxn:5:189674:226069:227103,CC(C)(C)S(=O)/N=C/c1ccc(-c2sccc2C2CCCCC2)cc1-c1cccc(C2CCCCC2)c1,DVMAZYBIPUSRTD-PPFNPFNJSA-N
-rxn:5:189676:225451:227053,CC(C)(C)Oc1cccc(-c2ccc(CC(=O)N3CCCC3)cc2-c2ccc(SC3CCCCC3)cc2)c1,CHFLOBPUOYJSLI-UHFFFAOYSA-N
-rxn:5:189718:225980:228119,CC(C)Sc1ccc(-c2cc([N+](=O)[O-])c(OC3CCOCC3)cc2-c2cc(N3CCOCC3)ncc2F)cn1,ZCYSHSNYZRPQHM-UHFFFAOYSA-N
-rxn:5:189718:228681:226591,CC(C)Oc1ccc(-c2cc([N+](=O)[O-])c(OC3CCOCC3)cc2-c2ccnn2CC2CC2)c(F)c1F,ZEBCILFJRMYYHM-UHFFFAOYSA-N
-rxn:5:189826:223252:223294,O=C(Cc1ccc(-c2csc(N3CCNCC3)n2)cc1-c1cc(F)c2c(c1)NCCO2)N1CCOCC1,HJMARXSUFOEKGF-UHFFFAOYSA-N
-rxn:5:189826:227907:223063,CCC(C)c1cncc(-c2cc(-c3cc(F)nc(C4CCNCC4)c3)ccc2CC(=O)N2CCOCC2)c1,MGQRZCBWEVDYRK-UHFFFAOYSA-N
-rxn:5:189829:225453:227568,COc1cc(F)c(-c2cc(C(=O)N3CCCC3)cc(-c3cccc(SC4CCCCC4)c3)c2OC)c(OC)c1,UGMLWMRQQQBVGW-UHFFFAOYSA-N
-rxn:5:189952:223113:225803,COc1c(-c2ccnc(OC3CCOCC3)c2)cc(C(=O)N2CCOCC2)cc1-c1ccc2c(c1)C(C)(C)C(=O)N2,FXNLYBDFCVNNAH-UHFFFAOYSA-N
-rxn:5:189952:225978:222417,COc1c(-c2ccc(N3CCOCC3)nc2F)cc(C(=O)N2CCOCC2)cc1-c1cnc(=O)[nH]c1C(C)C,BGNMTWBYQBHOMF-UHFFFAOYSA-N
-rxn:5:189952:225980:227376,COc1c(-c2cncc(N3CCCC3)c2)cc(C(=O)N2CCOCC2)cc1-c1cc(N2CCOCC2)ncc1F,VEUOTVTYTDQBSI-UHFFFAOYSA-N
-rxn:5:190000:225886:225439,CC(c1cccc(-c2ccc(CC(=O)N3CCCCC3)c(-c3ccc4c(ccn4S(C)(=O)=O)c3)c2)c1)N1CCCC1,KGHXNSMCWFMUEE-UHFFFAOYSA-N
-rxn:5:190000:226450:223065,CC1(c2cccc(-c3cc(-c4ccc(N5CCNCC5)cc4F)ccc3CC(=O)N3CCCCC3)c2)OCCO1,GCSQCJMYSOLJGA-UHFFFAOYSA-N
-rxn:5:190000:227029:225407,CC(C)(C#N)c1ccccc1-c1cc(-c2ccc(C3CCCCCC3)cc2)ccc1CC(=O)N1CCCCC1,NEGGWMGKYYOMFG-UHFFFAOYSA-N
-rxn:5:190000:227592:226159,COc1cc(F)cc(-c2cc(-c3cccc(N4CCCCC4)c3)ccc2CC(=O)N2CCCCC2)c1OC,BMOFIYTZSGGACG-UHFFFAOYSA-N
-rxn:5:190000:227941:225453,COCc1cc(C)cc(-c2cc(-c3cccc(SC4CCCCC4)c3)ccc2CC(=O)N2CCCCC2)c1,MCWCSITUAHCOCW-UHFFFAOYSA-N
-rxn:5:190001:227820:225453,CC(C)(C)c1ccc(-c2cc(CC(=O)N3CCCCC3)ccc2-c2cccc(SC3CCCCC3)c2)cc1,QHDITBUAGCEOEK-UHFFFAOYSA-N
-rxn:5:190127:225451:228155,COc1ccc(-c2ccc(-c3ccc(SC4CCCCC4)cc3)cc2C(=O)N2CCC(OC)CC2)cc1OC,ZLASKCLZSGMVFA-UHFFFAOYSA-N
-rxn:5:190128:228472:226130,COC1CCN(C(=O)c2ccc(-c3ccc(C(F)(F)F)nc3)c(-c3ccc(CN4CCCC4)cc3)c2)CC1,YSASPJBQMRPKJQ-UHFFFAOYSA-N
-rxn:5:190131:225924:228408,COc1cc(F)c(-c2cc(C(=O)N3CCCCC3)cc(-c3ccc(S(=O)(=O)N(C)C)cc3C)c2OC)cc1F,WHQJFLDDQMVFPQ-UHFFFAOYSA-N
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-rxn:5:190131:226154:227052,COc1cc(C(C)(C)C)ccc1-c1cc(C(=O)N2CCCCC2)cc(-c2ccc(SC(C)(C)C)cc2)c1OC,GISCMFVHVPJUAJ-UHFFFAOYSA-N
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-rxn:5:190194:225453:227069,COc1ccc(-c2c(CN3CCC(OC)CC3)cccc2-c2cccc(SC3CCCCC3)c2)c(C(C)C)c1,QWYKLTZXZDHZMK-UHFFFAOYSA-N
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-rxn:5:190194:228562:225799,CCC(C)c1csc(-c2cccc(CN3CCC(OC)CC3)c2-c2cncc(OC3CCOCC3)c2)c1,YECLSBCLSLPLCV-UHFFFAOYSA-N
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-rxn:5:190484:226589:227108,CC(C)c1cnc(C(F)F)cc1-c1cccc(C(=O)N2CCC(c3ccccc3-c3cc(C4CCC4)ccc3F)S(=O)(=O)CC2)c1,WGIYXFCVRRXOAH-UHFFFAOYSA-N
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-rxn:5:190484:227625:228437,O=C(c1cccc(-c2cnc(C3CCCO3)nc2)c1)N1CCC(c2ccccc2-c2ccc(C(F)F)cc2F)S(=O)(=O)CC1,ALZJBSUDKFSUBT-UHFFFAOYSA-N
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-rxn:5:190743:223008:223056,CCOC(=O)c1cnc2c(C)c(-c3cc(C4CCNCC4)ccc3F)ccc2c1-c1ccc(N2CCC(O)CC2)nc1,JJLHLPLNBZEHRK-UHFFFAOYSA-N
-rxn:5:190743:223008:225613,CCOC(=O)c1cnc2c(C)c(-c3cc(C4CCNCC4)ccc3F)ccc2c1-c1ccnc(OC2CCCCC2)c1,ABGSDXGXMMSXIR-UHFFFAOYSA-N
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-rxn:5:190744:223006:225636,CCOC(=O)c1cnc2c(-c3ccc(F)c(C4CCNCC4)c3)c(C)ccc2c1-c1ccnc(N2CCC(C)CC2)c1,WOESFKWYVAEEQS-UHFFFAOYSA-N
-rxn:5:190744:223006:225639,CCOC(=O)c1cnc2c(-c3ccc(F)c(C4CCNCC4)c3)c(C)ccc2c1-c1cccnc1N1CCC(C)CC1,XOSANZFZVYMJTP-UHFFFAOYSA-N
-rxn:5:190744:225633:225976,CCOC(=O)c1cnc2c(-c3ccc(N4CCCCCC4)nc3)c(C)ccc2c1-c1ccnc(N2CCOCC2)c1F,JSSAJKHTBPLTDH-UHFFFAOYSA-N
-rxn:5:190744:225655:222994,CCOC(=O)c1cnc2c(-c3cncc(N4CCC(C)CC4)c3)c(C)ccc2c1-c1cccc(N2CCC(O)CC2)c1,HDLFADJYHYOSOA-UHFFFAOYSA-N
-rxn:5:190744:225976:225976,CCOC(=O)c1cnc2c(-c3ccnc(N4CCOCC4)c3F)c(C)ccc2c1-c1ccnc(N2CCOCC2)c1F,DSHGMNIXGYVGTO-UHFFFAOYSA-N
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-rxn:5:190799:226059:225450,CC(C)c1ccc(-c2c(-c3ccc(C(=O)C4CCCC4)cc3)ccc3c2ccn3C(=O)OC(C)(C)C)c(C(C)C)c1,PDVBCMAEOBPHRT-UHFFFAOYSA-N
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-rxn:5:190859:228218:226794,CC(C)(C)OC(=O)N1CCc2c1ccc(-c1cc(C3CC3)ncc1F)c2-c1cnc(N2CCSCC2)nc1,FMUIXJKBZBYOOU-UHFFFAOYSA-N
-rxn:5:190993:225655:225976,CC1CCN(c2cncc(-c3ccc4c(c3)CN(CCc3ccc(-c5ccnc(N6CCOCC6)c5F)cc3)C(=O)CO4)c2)CC1,HFDRLTPQHAITLT-UHFFFAOYSA-N
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-rxn:5:191026:227909:227591,CCC(C)c1cc(-c2ccc3c(c2)N(c2ccc(C)c(-c4ccc(C(F)F)cc4OC)c2)C=C(C(=O)OC)S3(=O)=O)ccn1,VJLHUKZWVDMXOS-UHFFFAOYSA-N
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-rxn:5:191049:227927:225407,CCC(=O)c1cccc(-c2ccc3c(c2)CN(c2cc(OC)c(-c4ccc(C5CCCCCC5)cc4)cc2OC)C(=O)CO3)c1,XSWBFENFKHBLDO-UHFFFAOYSA-N
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-rxn:5:193052:223294:223065,O=C(c1ccc(-c2csc(N3CCNCC3)n2)cc1-c1ccc(N2CCNCC2)cc1F)N1CCCC1,LNXWHQYLINNAPS-UHFFFAOYSA-N
-rxn:5:193157:225438:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(CN2CCCC2)c(-c2ccc(C(C)N3CCCC3)cc2)c1,UAOGYMBBWJBJDG-UHFFFAOYSA-N
-rxn:5:193225:223294:223065,O=C(c1cc(-c2csc(N3CCNCC3)n2)ccc1-c1ccc(N2CCNCC2)cc1F)N1CCOCC1,XSHFYZWRMTZCGF-UHFFFAOYSA-N
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-rxn:5:193231:223062:225514,O=C(c1ccc(-c2cnc(C3CCNCC3)cc2F)cc1-c1cccc2c1OCC1(CC1)CO2)N1CCSCC1,AEQFSUCFVRZXJA-UHFFFAOYSA-N
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-rxn:5:193231:226664:226371,Cc1cc(N2CCCC2)ncc1-c1cc(-c2cc(N3CCCC3)ncc2F)ccc1C(=O)N1CCSCC1,CEKKQDGVGJZZKV-UHFFFAOYSA-N
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-rxn:5:193331:225590:226740,N#Cc1c(-c2cc(-c3ccc(CN4CCCC4)c(F)c3)ccc2CN2CCOCC2)cccc1C(F)(F)F,MPUOMCIVAOSSKQ-UHFFFAOYSA-N
-rxn:5:193331:225803:223113,CC1(C)C(=O)Nc2ccc(-c3cc(-c4ccnc(OC5CCOCC5)c4)ccc3CN3CCOCC3)cc21,SWFIDRLQSQUHBM-UHFFFAOYSA-N
-rxn:5:193331:227803:226583,CN(C)S(=O)(=O)n1nccc1-c1ccc(CN2CCOCC2)c(-c2ccc(CN3CCOCC3)s2)c1,LLKRHZJEDVWEQL-UHFFFAOYSA-N
-rxn:5:193333:226686:223134,Cc1cnn(C2CCCCO2)c1-c1ccc(CN2CCOCC2)cc1-c1cnccc1C1CCCNC1,QSZSUTNRJOCIRW-UHFFFAOYSA-N
-rxn:5:193333:226686:223138,Cc1cnn(C2CCCCO2)c1-c1ccc(CN2CCOCC2)cc1-c1ccnc(C2CCNCC2)c1,LPVGPFMDMJANGU-UHFFFAOYSA-N
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-rxn:5:193756:228236:225652,CC1CCCN(c2cncc(-c3cc(-c4ccnc(F)c4C4CC4)ccc3C(=O)N3CCCCC3C)c2)C1,APSBBXITFLGFAP-UHFFFAOYSA-N
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-rxn:5:193871:227343:223004,COC(=O)c1cc(C)cc(-c2cc(C(=O)N3CCC4(CC3)CC4)ccc2-c2ccc(C3CCNCC3)c(F)c2)c1,QMUABPBGYCHYOP-UHFFFAOYSA-N
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-rxn:4:175925:223693,CC(=O)c1cc(-c2cc(O[Si](C)(C)C(C)(C)C)cc(C(F)(F)F)c2F)ccc1OC(=O)c1ccccc1C,GXBSUOGVKAQFQR-UHFFFAOYSA-N
-rxn:4:176044:222913,CC(C)OC(=O)c1cc(C2(C)OCCO2)ccc1-c1ccc(CNS(=O)(=O)C2CC2)cc1,CMIYHUXFXGZKFP-UHFFFAOYSA-N
-rxn:4:176110:223828,CCN1CCN(c2cc(-c3cc(C(=O)OC(C)(C)C)cc(-c4ccccc4Cl)c3)cc(C(F)(F)F)c2)CC1,KVLZMDGLZUTYHC-UHFFFAOYSA-N
-rxn:4:176131:222647,Cc1cc(-c2cc(SC(C)(C)C)cc(SC(C)(C)C)c2)c(C)cc1NC(=O)OC(C)(C)C,FWUNEODBODROGP-UHFFFAOYSA-N
-rxn:4:176168:224835,CC(C)[Si](c1c(F)cc(-c2cc(C(F)(F)F)nn2S(=O)(=O)N(C)C)cc1F)(C(C)C)C(C)C,FMIAOUISOJJNNV-UHFFFAOYSA-N
-rxn:4:176170:223754,CC1CCN(CCCOc2ccc(-c3ccccc3-c3ccccc3OCC3CCCCC3)cc2Cl)CC1,RRBWQCFSMDTYDM-UHFFFAOYSA-N
-rxn:4:176182:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3ccccc3-c3c(C(C)C)cc(C(C)C)cc3C(C)C)cc2)CC1,JRPJHIKRECWSMW-UHFFFAOYSA-N
-rxn:4:176196:222869,CCOC(=O)C1=Cc2cc(-c3ccc(F)c(C(=O)NCC(C)C)c3)ccc2OC1C(F)(F)F,YORBITXBUFWIOV-UHFFFAOYSA-N
-rxn:4:176313:225047,Cc1cc(-c2ccc(COc3ccc4c(c3)OC(=CC3=Cc5ccccc5OC3C)C4=O)cc2)cnc1N1CCC(C)CC1,YADGGYZJFNUVOF-UHFFFAOYSA-N
-rxn:4:176692:223650,CC(=O)c1cc(-c2ccccc2N2CCN(C(=O)OC(C)(C)C)CC2)ccc1OC(F)(F)F,BOIKHOKHSGUDAN-UHFFFAOYSA-N
-rxn:4:176727:223784,CCN1CCN(CCOc2ccc(-c3cc(F)c(C(F)(F)F)c(C(=O)OC)c3)cc2F)CC1,UNSSNTLQIQFMHT-UHFFFAOYSA-N
-rxn:4:177178:223683,COC(=O)C(C)c1cc(-c2cnc(OC3CCN(C(=O)OC(C)(C)C)C3)nc2)ccc1F,GERHFUVZJSXNOB-UHFFFAOYSA-N
-rxn:4:177465:223712,COC(=O)C1OC1(C)c1ccccc1-c1ccc(OC)c(C23CC4CC(CC(C4)C2)C3)c1,IDBDFVYDWCOZQW-UHFFFAOYSA-N
-rxn:4:177755:223693,CC(C)(C)OC(=O)c1cc(-c2cc(O[Si](C)(C)C(C)(C)C)cc(C(F)(F)F)c2F)cc(Cl)c1F,OQBONDTWEJGJMX-UHFFFAOYSA-N
-rxn:4:178293:224728,COC(=O)C1(c2ccccc2-c2cc(OC)ncc2C(=O)OC(C)(C)C)CCC(=O)CC1,ZCXXRINPDVTSFX-UHFFFAOYSA-N
-rxn:4:178296:224082,CCC(C(=O)OC(C)(C)C)c1cccc(-c2cc(C3(C(=O)OC)CCC(=O)CC3)ccc2F)c1,XSTQXERFXJYVBM-UHFFFAOYSA-N
-rxn:4:178369:223636,CC(C)c1cc(C(C)C)c(-c2ccc(C3CCCN(C(=O)OC(C)(C)C)C3)cc2)c(C(C)C)c1,DGUJWLYHLQVEQD-UHFFFAOYSA-N
-rxn:4:178381:223750,CC(C)(C)c1cc(C(C)(C)C)c(-c2ccc3cccnc3c2O[Si](C)(C)C(C)(C)C)c(C(C)(C)C)c1,FOEHJXKDSIYQPL-UHFFFAOYSA-N
-rxn:4:178381:224967,COC(=O)c1cc(-c2c(C(C)(C)C)cc(C(C)(C)C)cc2C(C)(C)C)cc(C(C)(C)C)c1,VSPZOEGKSUEHDX-UHFFFAOYSA-N
-rxn:4:178384:225126,Fc1ccc(OCC2CCCO2)c(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c1,IIWDCRUFGKHMJZ-UHFFFAOYSA-N
-rxn:4:178384:226769,COC(=O)c1cc(F)c(F)c(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c1,XBSZGOUQFLGADS-UHFFFAOYSA-N
-rxn:4:178477:223536,COC(=O)c1cc2cc(-c3cc(F)c(F)c(N4CCN(C(=O)OC(C)(C)C)CC4)c3)ccc2cc1OC,QGYUZYQPZCDLNH-UHFFFAOYSA-N
-rxn:4:178496:223579,CCOC(=O)C1CCC(=O)c2cc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4C)cc3)ccc21,WFJMKAHVFRYQMC-UHFFFAOYSA-N
-rxn:4:178594:223564,COc1cc(OC)cc(OCc2c(C)cc(-c3cc(Cl)c(OCC45CC6CC(CC(C6)C4)C5)cc3F)cc2C)c1,MFEIIJGEZPQZNR-UHFFFAOYSA-N
-rxn:4:178597:225476,Cc1ccc(-c2ccc(-c3ccc(OC(=O)C4OC5OC(C)(C)OC5C5OC(C)(C)OC45)cc3)cn2)cc1,BHFBJULRJGXLDI-UHFFFAOYSA-N
-rxn:4:178597:225854,Cc1nn(-c2ccccc2F)cc1-c1ccc(OC(=O)C2OC3OC(C)(C)OC3C3OC(C)(C)OC23)cc1,MQUWACRVLVUEGL-UHFFFAOYSA-N
-rxn:4:178597:226505,CC(C)COc1ncc(-c2ccc(OC(=O)C3OC4OC(C)(C)OC4C4OC(C)(C)OC34)cc2)cc1Cl,UDEXYDJLNWLPFM-UHFFFAOYSA-N
-rxn:4:178703:223533,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cc(F)cc(F)c3OC(F)(F)F)c(F)c2)CC1,XALPPMSRYQKGQQ-UHFFFAOYSA-N
-rxn:4:179638:223501,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3ccc(C4CC4)c(C(F)(F)F)c3)cc2Cl)CC1,GQHNZZSHIBQRGL-UHFFFAOYSA-N
-rxn:4:179846:223590,Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1-c1ccc(OC2CCOC2)cc1F,SYMFRCWIKZMERF-UHFFFAOYSA-N
-rxn:4:179929:224011,CN1CCN(S(=O)(=O)c2ccc(-c3cc(F)c(C4OCCO4)cc3C(F)(F)F)cc2F)CC1,XTZDJKWHWMSUJV-UHFFFAOYSA-N
-rxn:4:180772:223712,CCC1(CC)CCc2cc(-c3ccc(OC)c(C45CC6CC(CC(C6)C4)C5)c3)ccc2C1=O,KATGCQYMGPDWPO-UHFFFAOYSA-N
-rxn:4:180815:224741,COc1ccc(-c2c(OC)cc(C3OCCO3)cc2OC)cc1C12CC3CC(CC(C3)C1)C2,ANATXSPRNVYVMT-UHFFFAOYSA-N
-rxn:4:181040:223533,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc(C(F)(F)F)c(F)c3F)c(F)c2)CC1,GGGRLQRDPRDMPU-UHFFFAOYSA-N
-rxn:4:181376:223500,Cc1c(F)ccc(-c2ccc(F)c(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)c1C(F)(F)F,MPAUHZQMFPZPLM-UHFFFAOYSA-N
-rxn:4:181768:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1ccc(C2=CC(=O)C=CC2=O)cc1,LMPLSPXXJWFNIQ-UHFFFAOYSA-N
-rxn:4:182300:223608,O=S(=O)(c1cc(-c2ccc3c(c2)CC(C2OCCO2)O3)ccc1OC(F)(F)F)N1CCOCC1,IWXJSBLCFKOGOF-UHFFFAOYSA-N
-rxn:4:182354:222546,COc1ccc(-c2ccc(OCCNC3CCCCC3)c(F)c2)c2c1OC1(CCCC1)C2,JWYUPZGFJNVTMH-UHFFFAOYSA-N
-rxn:4:182372:222704,CO[C@H]1CC[C@]2(CC1)Cc1ccc(-c3ccc(C4CCNCC4)c(C(F)(F)F)c3)cc1C2=O,PSBFFNWDLLMGCG-WVPZODRTSA-N
-rxn:4:182372:224153,CO[C@H]1CC[C@]2(CC1)Cc1ccc(-c3cc(N4CCCC4)cc(N4CCCC4)c3)cc1C2=O,XMHLZYXLWCKNBI-XQESHEEFSA-N
-rxn:4:182372:224187,CO[C@H]1CC[C@]2(CC1)Cc1ccc(-c3ccc(OCCN4CCCCC4)cc3F)cc1C2=O,LOSCLCZFSHGHIX-RSIILCRJSA-N
-rxn:4:182372:224624,CO[C@H]1CC[C@]2(CC1)Cc1ccc(-c3cc(Cl)ccc3C(=O)OCC(C)(C)C)cc1C2=O,APOTZGPMDOWWLA-DXKIZBQOSA-N
-rxn:4:182376:224187,CO[C@H]1[C@H](C)C[C@@]2(Cc3ccc(-c4ccc(OCCN5CCCCC5)cc4F)cc3C2=O)C[C@@H]1C,PPTIHFAEJIJZLF-CAKCGFARSA-N
-rxn:4:182566:223504,Cc1c(F)c(F)c(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c([N+](=O)[O-])c2)c(F)c1F,DQEVUJYWCXFUQF-UHFFFAOYSA-N
-rxn:4:183273:227493,CC(C)Cc1nc(Cl)ncc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,FZYTYCJZEADLRX-UHFFFAOYSA-N
-rxn:4:183273:229250,Cc1cncc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)n1,LDUCXSCGNPIERQ-UHFFFAOYSA-N
-rxn:4:183273:229274,Clc1ncc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cn1,WMHZFQHKDPECHW-UHFFFAOYSA-N
-rxn:4:183274:223364,Fc1c[nH]c2ncc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCOCCO4)cc12,RAWFRKSDQMYSPP-UHFFFAOYSA-N
-rxn:4:183274:223371,Clc1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCOCCO3)c2cn[nH]c2c1,QHIDDJKMJZNIIT-UHFFFAOYSA-N
-rxn:4:183274:227832,Cc1cc(C2CC2)ccc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCOCCO2,RXYXIRSMLMXBNJ-UHFFFAOYSA-N
-rxn:4:183274:229030,Cc1ccc(F)cc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCOCCO2,PLFCYVQSYJPRNI-UHFFFAOYSA-N
-rxn:4:183519:225332,CCOC(=O)Cc1cc(C(F)(F)F)c(C#N)cc1-c1cc(OC(F)(F)F)ccc1OCC,YYNHCJOZHAEQBL-UHFFFAOYSA-N
-rxn:4:183525:225287,CCOC(=O)Cc1ccc(C(F)(F)F)c(-c2cc(Cl)ncc2C(=O)OC(C)(C)C)c1C#N,SZHPSFQZUVRUGW-UHFFFAOYSA-N
-rxn:4:183542:224728,CCOC(=O)Cc1cc(-c2cc(OC)ncc2C(=O)OC(C)(C)C)c(C#N)cc1C(F)(F)F,GWJNGKIJBGLZPJ-UHFFFAOYSA-N
-rxn:4:183553:223992,CCOC(=O)Cc1c(OC)cc(C#N)cc1-c1ccc(C)c(S(=O)(=O)N2CCN(C)CC2)c1,YOIDAQHLEWSXSA-UHFFFAOYSA-N
-rxn:4:183573:223823,CCOC(=O)Cc1cc(-c2cnn(C3CCN(C(=O)OC(C)(C)C)CC3)c2)c(OC)cc1C#N,JSFWILLEYKMMAH-UHFFFAOYSA-N
-rxn:4:183597:225380,CN(C)C(=O)COc1ccc(OC(F)(F)F)cc1-c1ccc(C(F)(F)F)cc1C(F)(F)F,FYGQETXJRVVHTM-UHFFFAOYSA-N
-rxn:4:183610:224974,CN1CCN(Cc2ccccc2-c2cc(OC(F)(F)F)ccc2OCC(=O)N2CCC2)CC1,KJQAPAZWTRDYAE-UHFFFAOYSA-N
-rxn:4:183636:225043,CCN(CC)C(=O)c1ccc(-c2ccc(OC3CCCCC3)c(F)c2)c(OC(F)(F)F)c1,YXDHPZSSEAOOJC-UHFFFAOYSA-N
-rxn:4:183669:223009,COC(=O)CSC1CCN(C(=O)c2ccc(-c3cc(Cl)cc(C4CCNCC4)c3)o2)C1,QLCJPYYPCPWADK-UHFFFAOYSA-N
-rxn:4:183704:226712,COCCOc1ccc(-c2ccc(OC[C@@H]3CCCN3C(=O)OC(F)(F)F)c(F)c2)c(F)n1,NGWZOHCMYHTJHA-AWEZNQCLSA-N
-rxn:4:183752:224429,CCOC(=O)CCN1C(=O)C(=Cc2cccc(-c3ccc4cc(OCC(C)C)ccc4c3)c2)SC1=S,HTZCIQYTCMWCLV-UHFFFAOYSA-N
-rxn:4:183752:225761,CCOC(=O)CCN1C(=O)C(=Cc2cccc(-c3ccc(CC(C)C)cc3[N+](=O)[O-])c2)SC1=S,NGFNWHDRPWTEOE-UHFFFAOYSA-N
-rxn:4:183766:223532,CCN(Cc1cccc(-c2cc(F)cc(CN3CCN(C(=O)OC(C)(C)C)CC3)c2)c1)c1cccc(OC(F)F)c1,FBMNPDMYYFLHNM-UHFFFAOYSA-N
-rxn:4:183770:227479,CCCOc1ccc(-c2ccc(OC(F)(F)F)cc2OCC(=O)N2CCCCC2)c(F)n1,WUQKPDHYRQJKBS-UHFFFAOYSA-N
-rxn:4:183801:222646,Cc1cc(-c2c(C)cc(NC(=O)OC(C)(C)C)cc2C)cc(N(CC(F)(F)F)C(=O)OC(C)(C)C)c1,UULNLXVHYVLGSF-UHFFFAOYSA-N
-rxn:4:183801:223938,Cc1cc(-c2cc3cc(Cl)ccc3n2C(=O)OC(C)(C)C)cc(N(CC(F)(F)F)C(=O)OC(C)(C)C)c1,SOPUNXQIOLQGCI-UHFFFAOYSA-N
-rxn:4:183828:224798,CC(C)Oc1ccc(OC(F)(F)F)cc1-c1cc(F)cc(CN(C(=O)OC(C)(C)C)C2CC2)c1,PBRYXJOLKUSUQS-UHFFFAOYSA-N
-rxn:4:183832:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2c(F)cccc2CN(C(=O)OC(C)(C)C)C2CC2)cc1,IJFPZVSMTMOQFI-UHFFFAOYSA-N
-rxn:4:183839:223932,COC(=O)C1CCCCN1C(=O)COc1ccc(-c2cc3c(Cl)cccc3n2C(=O)OC(C)(C)C)cc1,VTXOBFDAAWLTAA-UHFFFAOYSA-N
-rxn:4:183869:223508,O=C(Cc1ccc(-c2ccc(N3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)nc2)cc1)N1CCC(OCC2CC2)C1,WBTRIJAPQHOBPP-UHFFFAOYSA-N
-rxn:4:183881:223079,CC(C)NS(=O)(=O)c1cccc(-c2ccc(OCC3CN(C(=O)OC(C)(C)C)C3)cc2F)c1,DCKFAJMQRVDGRO-UHFFFAOYSA-N
-rxn:4:183892:227464,CCCCSc1ncc(-c2cc(OCCN3CCC(F)(F)CC3)cc(C(=O)OC)c2)cn1,CERBLNBUENDMHP-UHFFFAOYSA-N
-rxn:4:183903:224485,CC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2cnc(C#C[Si](C)(C)C)c(OC(=O)OC(C)(C)C)c2)c1,YSHAYBOYSFYWRL-UHFFFAOYSA-N
-rxn:4:183910:226021,COC(=O)c1cc(OCCN2CCOC(C)C2)cc(-c2cc(Cl)ccc2OCC(F)(F)F)c1,FTFMERNASXBJQO-UHFFFAOYSA-N
-rxn:4:183912:222507,COc1ccc(NC(=O)c2ccc(F)c(-c3ccc(OC(F)(F)F)cc3OCCN3CCC(C)CC3)c2)cc1,VVVDYDWKPCELIZ-UHFFFAOYSA-N
-rxn:4:183913:222931,CC1CCCCN1CCOc1ccc(OC(F)(F)F)cc1-c1cnc(Cl)c(N2CCCCC2O)c1,JBQKHAPTTLKFPG-UHFFFAOYSA-N
-rxn:4:183923:222857,COc1cc(-c2ccc(OCC(=O)N(c3ccccc3)C3C=CS(=O)(=O)C3)cc2)cc(C2CCNCC2)c1,VRHHRDBPVOXQMU-UHFFFAOYSA-N
-rxn:4:183937:223187,CONS(=O)(=O)c1cccc(-c2cc(F)ccc2CN(C(=O)OC(C)(C)C)C2CCC2)c1,UXNXKJHGQXXEOG-UHFFFAOYSA-N
-rxn:4:183961:225301,CC(C)(C)OC(=O)N1CCC[C@H]1COc1ccc(-c2cc(OC3CCOCC3)ncc2F)cc1,JNIJUPGVJHBQAR-IBGZPJMESA-N
-rxn:4:183970:222601,CCOC(=O)C1CCN(S(=O)(=O)c2cc(-c3cccc4sc(NC(=O)OC(C)(C)C)nc34)ccc2OC)CC1,YFBYDNBJOYJEAF-UHFFFAOYSA-N
-rxn:4:183983:222867,Cc1ccc(-c2ccc(NC(=O)OC(C)(C)C)cc2)cc1CN(C(=O)OC(C)(C)C)C(C)C,BVKLBQCOXOVAKL-UHFFFAOYSA-N
-rxn:4:183985:223050,CC(C)NC(=O)c1cc(F)cc(-c2ccc(O[Si](C(C)C)(C(C)C)C(C)C)cc2C#N)c1,CNGZECIKJBEKSI-UHFFFAOYSA-N
-rxn:4:183998:224973,CN1CCN(Cc2cccc(-c3ccc(CN(C(=O)OC(C)(C)C)C4CCCC4)c(F)c3)c2)CC1,SERSJEDPVURPPM-UHFFFAOYSA-N
-rxn:4:184016:223079,CC(C)NS(=O)(=O)c1cccc(-c2ccccc2COC2CCN(C(=O)OC(C)(C)C)CC2)c1,LQKRTDHCBYNMMF-UHFFFAOYSA-N
-rxn:4:184047:225994,CCSc1ncc(C(F)(F)F)cc1-c1ccc(C(=O)N(Cc2ccc(OC)cc2)C2CCS(=O)(=O)C2)cc1,NWALGDPJKDIZAU-UHFFFAOYSA-N
-rxn:4:184058:224572,CC1CCCN(c2ccc(-c3ccc(S(=O)(=O)N4CCCC(COCc5ccccc5)C4)cc3)c(C#N)c2)C1,LCQHYEROXJGUIP-UHFFFAOYSA-N
-rxn:4:184062:223284,Cc1cc(CN(C(=O)OC(C)(C)C)C2CCCC2)ccc1-c1ccc(NS(C)(=O)=O)cc1,HWUAUAFCKWAAQD-UHFFFAOYSA-N
-rxn:4:184094:222487,COc1ccc(CNC(=O)c2ccc(-c3ccccc3C(=O)N(Cc3ccc(C(C)C)cc3)C3CCS(=O)(=O)C3)cn2)cc1,RXVNJQJOSBXDBK-UHFFFAOYSA-N
-rxn:4:184096:228003,CSc1cc(C)c(-c2ccc(CN(C(=O)OC(C)(C)C)C3CCC(C)(C)CC3)cc2)c(C)c1,ZAPQYQAGDSMVEK-UHFFFAOYSA-N
-rxn:4:184096:228871,COC(=O)c1ccsc1-c1ccc(CN(C(=O)OC(C)(C)C)C2CCC(C)(C)CC2)cc1,KZLLBYMRIFEEAS-UHFFFAOYSA-N
-rxn:4:184099:228574,Cc1ccc(-c2ccc(C(C)N(C(=O)OC(C)(C)C)C3CCC(C)(C)CC3)cc2)c(C#N)c1,ODNLLOUSCVPVAQ-UHFFFAOYSA-N
-rxn:4:184176:224146,COc1cc(C(=O)c2nccc3cc(OC)c(OC)cc23)c(-c2c(C)cc(O[Si](C)(C)C(C)(C)C)cc2C)cc1OC,KUTGAXVPOKZSBF-UHFFFAOYSA-N
-rxn:4:184187:225122,COC(=O)C1=CN(c2cc(OC)c(OC)c(OC)c2)c2cc(-c3cncc(O[Si](C)(C)C(C)(C)C)c3)ccc2S1(=O)=O,IJMXRRNUMXTZGB-UHFFFAOYSA-N
-rxn:4:184219:227490,CC(C)(C)OC(=O)n1c(-c2cnc(OC(C)(C)C)nc2)cc2cc(O[Si](C)(C)C(C)(C)C)ccc21,JLMSKQNRJLFOAL-UHFFFAOYSA-N
-rxn:4:184220:223530,CC(=O)c1c(C)oc2ccc(N(C(=O)c3ccc(C)cc3)S(=O)(=O)c3ccc(-c4cc(F)ccc4CN4CCN(C(=O)OC(C)(C)C)CC4)cc3)cc12,VCORXPIQZUZQMT-UHFFFAOYSA-N
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-rxn:4:184275:224824,N#Cc1cccc(-c2cc(C3OCCO3)cc(C(F)(F)F)c2)c1OC(C(F)(F)F)C(F)(F)F,INELUKJIYIVNMO-UHFFFAOYSA-N
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-rxn:4:186968:223541,O=S(=O)(c1cc(F)c(F)cc1-c1ccccc1CCCN1CCC(F)(F)C1)N1CCC2(CC1)OCCO2,XFXKGJNWPYUMHS-UHFFFAOYSA-N
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-rxn:4:187081:222684,O=[N+]([O-])c1cc(F)c(OCC2CCCCC2)c(-c2ccc(OCCN3CCNCC3)c(Cl)c2)c1,BXPLITDQZXSNMU-UHFFFAOYSA-N
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-rxn:4:187162:223776,CC(C)(C)OC(=O)N1CCOc2ccc(-c3ccc(C(=O)CC4SC(=O)N(c5ccccc5)C4=O)cc3)cc2C1,DIGGHVIOOHALKK-UHFFFAOYSA-N
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-rxn:4:187276:228432,CSc1c(Cl)ccc(-c2cc(C(F)(F)F)cc(S(=O)(=O)N3CCC(C(F)(F)F)CC3)c2)c1F,NAWCKOWDYIKMRA-UHFFFAOYSA-N
-rxn:4:187288:224399,CC1CN(CCCc2ccccc2-c2ccc(N3CCOCC3)cc2C(F)(F)F)CCO1,NGZHFQSBCOBDFL-UHFFFAOYSA-N
-rxn:4:187297:222718,COC1CCN(CCc2ccc(-c3cc(S(=O)(=O)N4CCNCC4)ccc3C)cc2)CC1,BELXHXYHCYOUQK-UHFFFAOYSA-N
-rxn:4:187307:225004,Cc1cc(OCC2CCCCC2)c(-c2ccc(CN3CCC(=O)CC3)cc2)cc1[N+](=O)[O-],WJSRFIHRVSWBGK-UHFFFAOYSA-N
-rxn:4:187359:224396,COC(OC)C1CCN(c2ccc(-c3ccc(S(=O)(=O)N4CCOCC4)c(C)c3)cc2)CC1,QLSAMVLDGJAGFR-UHFFFAOYSA-N
-rxn:4:187373:222721,COc1cc(S(=O)(=O)N2CCCCC2)c(OC)cc1-c1cc(C2CCNCC2)nc(C(F)(F)F)c1,CMNMJPDQAVIYJG-UHFFFAOYSA-N
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-rxn:4:187409:224771,Cc1ccc(-c2ccc(OCC(=O)N3C(C)CCCC3C)cc2)cc1S(=O)(=O)N1CCCC1,XMUXWIQSPSVISA-UHFFFAOYSA-N
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-rxn:4:187483:223077,CCC1CCCCN1S(=O)(=O)c1ccc(-c2ccc(S(=O)(=O)NC3CC3)cc2)c(OC)c1,JKOMUTBPJBABIP-UHFFFAOYSA-N
-rxn:4:187507:223797,CC(C)(C)OC(=O)N1CCOC(c2ccc(F)c(-c3ccccc3COc3cccc(C(F)(F)F)c3)c2)C1,AMUPRIWZISLTRS-UHFFFAOYSA-N
-rxn:4:187515:223993,Cc1cc(-c2cccc(C(=O)c3cccc(CN4CCSCC4)c3)c2)ccc1S(=O)(=O)N1CCN(C)CC1,CVKZKFXKVFSXJB-UHFFFAOYSA-N
-rxn:4:187538:224008,O=C(c1cc(-c2ccc(Cl)c(C(=O)N3CCOC(c4ccc(C(F)(F)F)cc4)C3)c2)cc([N+](=O)[O-])c1)N1CCOCC1,CSXCCWNZTBISHM-UHFFFAOYSA-N
-rxn:4:187543:224590,COc1cc(-c2ccc(CN3CCC(C)CC3)cc2F)cc(OC)c1CN1CCCC(C)C1,UWLVRXMAAPOYCV-UHFFFAOYSA-N
-rxn:4:187543:224669,COc1cc(-c2ccc(CN3CCN(C)CC3)cc2F)cc(OC)c1CN1CCCC(C)C1,RRJRGCHFNWAASU-UHFFFAOYSA-N
-rxn:4:187546:223740,CCN(C(=O)c1cc(-c2cc(O[Si](C)(C)C(C)(C)C)cc3ccccc23)ccc1C)C1CCCCC1,YOVAKBHBIGHNDO-UHFFFAOYSA-N
-rxn:4:187552:223139,CCOc1ccc(-c2ccc(C3CCNCC3)nc2)cc1S(=O)(=O)N1CC(C)OC(C)C1,QLKPHBOPNHTDOY-UHFFFAOYSA-N
-rxn:4:187555:224349,O=C(CCc1ccccc1-c1ccc(N2CCCCC2)c(C(F)(F)F)c1)N1CCC2(CC1)OCCS2,JTMQDIXVJSTRGA-UHFFFAOYSA-N
-rxn:4:187555:225176,O=C(CCc1ccccc1-c1ccc(CN2CCOCC2)c(Cl)c1)N1CCC2(CC1)OCCS2,XWJITTZUPHCANT-UHFFFAOYSA-N
-rxn:4:187561:223287,CNS(=O)(=O)c1ccc(-c2ccc(Cl)c(C(=O)N3CCC(S(=O)(=O)C(C)(C)C)C3)c2)cc1,ZJWDOQVSEOPAHM-UHFFFAOYSA-N
-rxn:4:187576:222919,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccccc2C2CCCN(C(=O)OC(C)(C)C)C2)cc1,OYCKQQHGLWWLPT-UHFFFAOYSA-N
-rxn:4:187579:225560,CC1CN(C(=O)OC(C)(C)C)CCC1c1coc(-c2cccc(COC3CCOC3)c2)c1,FQCPGZJSVZGQKX-UHFFFAOYSA-N
-rxn:4:187590:224966,CC(C)(C)OC(=O)N1CCCC(c2ccc(-c3ccc(OCC4CCOCC4)cc3)c(F)c2)C1,VXOQMNGHRYJAGS-UHFFFAOYSA-N
-rxn:4:187590:226526,COC(=O)c1ccc(OC)c(-c2ccc(C3CCCN(C(=O)OC(C)(C)C)C3)cc2F)c1,KJOXLDUGDCFEJA-UHFFFAOYSA-N
-rxn:4:187616:224399,O=C(c1ccccc1-c1ccc(N2CCOCC2)cc1C(F)(F)F)N1CCC(S(=O)(=O)c2ccc(F)cc2)CC1,LQVZHQDMVKNKDA-UHFFFAOYSA-N
-rxn:4:187621:224410,CN(CC1CCCCC1)C1(c2ccc(-c3ccc(OCC(F)(F)F)c(C(F)(F)F)c3)cc2)CC1,MGISRVWNXGJEAB-UHFFFAOYSA-N
-rxn:4:187634:223148,O=C(C1CCCCC1)N(c1ccc(-c2ccccc2C2CNCCO2)cc1)C1C=CS(=O)(=O)C1,WCQFOUWGZQYPJL-UHFFFAOYSA-N
-rxn:4:187657:223679,CCN1CCN(S(=O)(=O)c2c(C)cc(-c3cc(C)c(C)cc3S(=O)(=O)N(CC)C3CCCCC3)cc2C)CC1,YERJNQJVXGFXHD-UHFFFAOYSA-N
-rxn:4:187659:225756,COC(=O)c1cc(-c2ccc(C3(C)CCN(C(=O)OC(C)(C)C)CC3)cc2)c(C(C)C)cn1,JCAQWRAOMSAYTG-UHFFFAOYSA-N
-rxn:4:187677:223255,CONC(=O)c1cccc(-c2ccc(C3CC34CCN(C(=O)OC(C)(C)C)CC4)cc2)c1,LMSPFKQFJZMJAI-UHFFFAOYSA-N
-rxn:4:187841:223811,COC(=O)c1ccc(CN2C(=O)C(=O)c3cc(-c4ccc(CN5CCC6(CC5)OCCO6)c(Cl)c4)ccc32)cc1,ORGATROUCVBGBG-UHFFFAOYSA-N
-rxn:4:187910:224318,CSC1CC2CCC(C1)N2C(=O)Cc1ccc(-c2ccc(C(=O)N3CCN(C)CC3)c(F)c2)cc1,OZCCQMZOVRLNRB-UHFFFAOYSA-N
-rxn:4:187916:224458,COc1cc(OC)c(C23CCN(C)CC2O3)c(OC)c1-c1ccc(C(C)N2CCC(C)CC2)cc1,ANAAWIJGJDEXBG-UHFFFAOYSA-N
-rxn:4:187944:223498,CC(C)(C)OC(=O)N1CCCN(C(=O)c2ccc(-c3ccc4c(c3)OCCCC4OCCN3CCOCC3)cc2)CC1,GRSHVHKRHVCMAH-UHFFFAOYSA-N
-rxn:4:187946:223158,CCNC(=O)c1ccc(-c2c(OC)ccc3c2CCN(C(=O)OC(C)(C)C)[C@@H]3C)cc1F,JDELFRBUTDFBNG-OAHLLOKOSA-N
-rxn:4:187948:224622,COc1ccc(-c2ccn(C(=O)OCc3ccccc3)c2)c(C(=O)N2C3CCC2CC(S(C)(=O)=O)C3)c1,XHLCBZAWXJPXIL-UHFFFAOYSA-N
-rxn:4:187950:223811,O=C(c1ccc(-c2ccc(CN3CCC4(CC3)OCCO4)c(Cl)c2)o1)N1C2CCC1CC(S(=O)(=O)c1ccccc1)C2,WIEBLXXGXOTBEZ-UHFFFAOYSA-N
-rxn:4:187961:225113,COC(=O)Cc1cc2c(n1-c1ccc(-c3cccc(C(=O)OOC(C)(C)C)c3)cc1)CC(C)(C)CC2=O,HBXWDHMXGHSDRD-UHFFFAOYSA-N
-rxn:4:187970:222619,CC(C)[Si](C(C)C)(C(C)C)n1cc(-c2ccc(CNC(=O)C3CCCCC3)cc2)c2ccccc21,VWRXBKNMUIJVGY-UHFFFAOYSA-N
-rxn:4:187973:222987,Cc1nc(C2CCNCC2)ccc1-c1ccccc1C(=O)N1C2CCC1CC(S(=O)(=O)c1ccccc1)C2,GNGGAALRXQETQP-UHFFFAOYSA-N
-rxn:4:187991:224825,CON(C)C(=O)c1cc(-c2ccccc2C(=O)Oc2ccc(N3C(=O)C4CCC(C)CC4C3=O)cc2)cc([N+](=O)[O-])c1,NOKUPMNHRFTUKK-UHFFFAOYSA-N
-rxn:4:188022:225998,COC(=O)c1cc(-c2ccc3oc4c(c(=O)c3c2)C(c2ccc(OC)cc2)N(CC2CCCO2)C4=O)cc([N+](=O)[O-])c1,PDWKRIFBCCISER-UHFFFAOYSA-N
-rxn:4:188177:222389,O=[N+]([O-])c1cc(OC(F)F)c(F)cc1-c1cc(C2CCNCC2)nc(C2CCNCC2)c1,IUVTVVJQEJNJKH-UHFFFAOYSA-N
-rxn:4:188464:222466,COC(=O)c1cc(F)c(-c2cc(C3CCCCC3)nc(C3CCNCC3)c2)cc1[N+](=O)[O-],QAIYKCJENTXISM-UHFFFAOYSA-N
-rxn:4:188497:222654,O=C(NC1CCCCC1)c1cc(-c2ccnc(C(F)(F)C(F)(F)C(F)(F)F)c2)ccc1Cl,GSHDEZDHUOXVRX-UHFFFAOYSA-N
-rxn:4:188592:223540,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1ccc(OC)c(C#N)c1OC,SMPQBJFDXXOIDR-UHFFFAOYSA-N
-rxn:4:188681:223892,CN1CCN(CCCOc2ccc(-c3ccc(OC(F)(F)F)c(S(N)(=O)=O)c3)cc2)CC1,NRNWARSKRPGKRS-UHFFFAOYSA-N
-rxn:4:189060:223534,CN(C)CC(=O)c1ccc(-c2cc(OC3CCN(C(=O)OC(C)(C)C)CC3)ncc2F)cc1,ARVBDHQEOAITEB-UHFFFAOYSA-N
-rxn:4:189500:222629,CC(C)(C)c1cc(-c2cc(N3CCCC3=O)ccc2OC(F)(F)F)cc(C2CCCNC2)n1,IQRQXJSXEGSUJP-UHFFFAOYSA-N
-rxn:4:189594:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3cc(C=C4N=C(SC)SC4=O)ccc3OC)cc2)CC1,XHTLPMRJSNTLSV-AQYVVDRMSA-N
-rxn:4:189652:222524,O=S(=O)(c1cc(F)c(F)cc1-c1cncc(OCC2CCOCC2)c1)N1CCC(O)CC1,HTZDYUYFCBVCOO-UHFFFAOYSA-N
-rxn:4:189704:223971,COC(=O)C1CC(=O)N(c2ccccc2-c2cc(N3CCC(C)CC3)cc(C(F)(F)F)c2)C1,SLBNRWFRMUZNJI-UHFFFAOYSA-N
-rxn:4:189716:222647,COC(=O)C1CCC(=O)N1c1ccc(-c2cc(C)c(NC(=O)OC(C)(C)C)cc2C)cc1,MATFTKZFBNKIQA-UHFFFAOYSA-N
-rxn:4:189756:225106,CCN(CC)C(=O)c1ccc(-c2ccc(C(F)(F)F)c(F)c2C(=O)N2CCCC2)cc1Cl,XGUFXGCGECRLQA-UHFFFAOYSA-N
-rxn:4:189767:225619,O=C(c1c(-c2ccc(Cl)cc2OC2CCCC2)cccc1C(F)(F)F)N1CCC(F)(F)C1,AEMLVIKSPIREKJ-UHFFFAOYSA-N
-rxn:4:189799:223557,Cc1cc(S(=O)(=O)N(C)C2CC2)ccc1-c1c(F)ccc2c1ccn2[Si](C(C)C)(C(C)C)C(C)C,JHPRYSYHMYCPIM-UHFFFAOYSA-N
-rxn:4:189803:223689,CCN1CCN(S(=O)(=O)c2cc(-c3cc(C(=O)OC)ccc3N3CCCC3)ccc2OC)CC1,WAXWQVFVTLVYFK-UHFFFAOYSA-N
-rxn:4:189885:224276,CC(C)(C)OC(=O)n1cc(-c2c(C(F)(F)F)ccc(F)c2C(=O)N2CCOCC2)c2ncccc21,FWBOKOPFSLQYOO-UHFFFAOYSA-N
-rxn:4:189997:223888,Cc1ccc(/C=N/S(=O)C(C)(C)C)c(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CCC3)c1,VWYOIBNIVLSHKC-WPWMEQJKSA-N
-rxn:4:190015:222622,CCC(C)c1cc(-c2cc(S(=O)(=O)N3CCOCC3)ccc2OC)cc(C2CCCNC2)n1,YWHOCSHIAZSDFN-UHFFFAOYSA-N
-rxn:4:190120:222695,Cc1ccc(-c2cc(S(C)(=O)=O)ccc2CN2CCCC2)cc1S(=O)(=O)NC1CCCC1,NHNLEMIOQBUBPA-UHFFFAOYSA-N
-rxn:4:190120:223499,CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(-c3cc(S(C)(=O)=O)ccc3CN3CCCC3)ccc2Cl)CC1,XUNVJLDXSALQQJ-UHFFFAOYSA-N
-rxn:4:190143:223640,CCOC12C(=O)c3cc(F)cc(-c4cccc(C(=O)N5CCC(OC)CC5)c4F)c3C(=O)C1C2(C)C,RWHQSYVYVDQKMY-UHFFFAOYSA-N
-rxn:4:190156:222700,COc1ccc(S(=O)(=O)N2CCC(=O)CC2)cc1-c1ccc(C(F)(F)F)cc1C1CCCNC1,RLZVSTFHELXYEW-UHFFFAOYSA-N
-rxn:4:190159:225299,Cc1cc(-c2cc(S(C)(=O)=O)ccc2CN2CCC(F)(F)C2)cc(C)c1S(=O)(=O)N(C)C,OFLXMFFRXUTWEU-UHFFFAOYSA-N
-rxn:4:190163:222801,Cc1ccc(-c2ccc(S(=O)(=O)N3CCCC(C(F)(F)F)C3)cc2)cc1S(=O)(=O)NC(C)(C)C,VMRXJVDBBPZMDF-UHFFFAOYSA-N
-rxn:4:190165:225395,CC(C)(C)c1cc(-c2cc(C(F)(F)F)cc(S(=O)(=O)N3CCCCC3)c2)cc(C2CC2)c1,WDMMXWJIRKOLLY-UHFFFAOYSA-N
-rxn:4:190167:223669,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cc(CN4CCC(F)(F)CC4)cc(C(F)(F)F)c3)cn2)CC1,MOJBOUBDHWSSFS-UHFFFAOYSA-N
-rxn:4:190174:225271,COC(=O)c1cc(OC)c(OC)cc1-c1cc(S(=O)(=O)N2CCCC(C(F)(F)F)C2)c(F)cc1F,ZDTBWOGCYPLWSH-UHFFFAOYSA-N
-rxn:4:190188:223902,COc1cc(-c2ccc(OCCN3CCC(C)CC3)c(F)c2)ccc1CN1CCCCC1,OBWZMKIFSADTRL-UHFFFAOYSA-N
-rxn:4:190213:222538,COc1ccc(S(=O)(=O)N2CCCCC2)cc1-c1cc(C2CCCC2)nc(C2CCNCC2)c1,VLHQSBVVMOSGOY-UHFFFAOYSA-N
-rxn:4:190218:223810,CCC(=O)C1CCCN(c2cccc(-c3cc(C)c(S(=O)(=O)N4CCC(C)CC4)c(C)c3)c2)C1=O,DXCLPCWOYWLGOS-UHFFFAOYSA-N
-rxn:4:190235:222725,CCNS(=O)(=O)c1ccc(-c2cccc(F)c2N2CCCC(C(=O)CC)C2=O)c(C(F)(F)F)c1,ZXOVAWKKEJDUQA-UHFFFAOYSA-N
-rxn:4:190267:224633,COc1ccc(CN2CCOCC2)cc1-c1ccc(F)cc1CC(=O)N1CCC(C)CC1,SIWLWEDZPUQYIY-UHFFFAOYSA-N
-rxn:4:190301:223939,Cc1cc(C(C)(C)O[Si](C)(C)C)ncc1-c1ccc2c(c1)N(C(=O)OC(C)(C)C)CCO2,JLUCZSAGWOCQRN-UHFFFAOYSA-N
-rxn:4:190326:224458,CC1CCN(C(C)c2ccc(-c3ccc(C4CCN(C(=O)C5CC5)CC4)cc3)cc2)CC1,QIMSNPYPBDQPQY-UHFFFAOYSA-N
-rxn:4:190327:222695,Cc1ccc(-c2cc(S(C)(=O)=O)ccc2CN2CCCCC2)cc1S(=O)(=O)NC1CCCC1,QAYWRYSJUMYZMN-UHFFFAOYSA-N
-rxn:4:190328:224366,Cc1cc(S(=O)(=O)N(C)C2CCCC2)ccc1-c1ccc(OC(F)(F)F)c(OCC2CC2)c1,NAINJFXBYWYNRK-UHFFFAOYSA-N
-rxn:4:190340:222935,CC(c1cccc(-c2ccc(CNS(=O)(=O)N(C)C)cc2)c1)N1CCC(C(F)(F)F)CC1,FLEVWEALYNNYCA-UHFFFAOYSA-N
-rxn:4:190343:222819,CC1CCCCN1Cc1cc(C(F)(F)F)ccc1-c1ccc(NC(=O)N2CCOCC2)nc1,CQVHAWZTLGAVBB-UHFFFAOYSA-N
-rxn:4:190345:222829,CNS(=O)(=O)c1ccc(-c2ccc(C(F)(F)F)cc2CN2CCC(C)CC2)c(C(F)(F)F)c1,CASUTLMTGKPWRV-UHFFFAOYSA-N
-rxn:4:190363:223811,COc1ccc(-c2ccc(CN3CCC4(CC3)OCCO4)c(Cl)c2)c(CN2CCC(C)CC2)c1,RZONLAWIXKMCNA-UHFFFAOYSA-N
-rxn:4:190375:224317,COc1ccc(-c2ccc(C(=O)N3CCN(C)CC3)cc2F)cc1S(=O)(=O)N1CCCC(C)C1,VJSZXFOSZOVGCM-UHFFFAOYSA-N
-rxn:4:190396:223079,CC(C)NS(=O)(=O)c1cccc(-c2cccc(N3CCCC(C(=O)C(C)C)C3=O)c2F)c1,KQIXJXZIEVPTOG-UHFFFAOYSA-N
-rxn:4:190410:223582,COC(=O)c1ccc2cc(-c3ccc(C4CCN(C(=O)C(C)C)CC4)cc3)n(C(=O)OC(C)(C)C)c2c1,OIGNRANPCYHSIL-UHFFFAOYSA-N
-rxn:4:190448:223669,Cc1cccc(N2CCCC(C(=O)C(C)C)C2=O)c1-c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1,XDYZSEXXHMSDLV-UHFFFAOYSA-N
-rxn:4:190487:223761,COc1cc(S(=O)(=O)N2CC(C)CC(C)C2)c(C)cc1-c1ccc(C2CCCN2C(=O)OC(C)(C)C)cc1,HNASEWSBSDUOCI-UHFFFAOYSA-N
-rxn:4:190488:223837,COc1cc(C)c(-c2ccc(Oc3ccc(OC(F)(F)F)cc3)nc2)cc1S(=O)(=O)N1CC(C)CC(C)C1,KUQDSIKFWMWGPP-UHFFFAOYSA-N
-rxn:4:190490:223682,Cc1ccccc1C1CCN(C(=O)c2ccccc2-c2c(C(F)(F)F)ccc3c2cnn3C2CCCCO2)CCS1,LPLAEWBGUKTBLS-UHFFFAOYSA-N
-rxn:4:190728:224176,CCOC(=O)c1[nH]c2c(c1-c1ccc(OCCSC3CCOCC3)cc1)CCC(F)(F)C2,RAKDJRCIWWOTGN-UHFFFAOYSA-N
-rxn:4:190817:224819,COC(=O)CN1C(=O)C(C)(C)c2cc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)ccc21,OYPCLLUUPFFYMG-UHFFFAOYSA-N
-rxn:4:190818:223693,CCOC(=O)c1cnc2cc(C)cc(C)c2c1-c1cc(O[Si](C)(C)C(C)(C)C)cc(C(F)(F)F)c1F,IJDCJUMIJVZEDM-UHFFFAOYSA-N
-rxn:4:190823:222823,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)C3=O)c(F)c1,ZUILTXNJYGKMIJ-UHFFFAOYSA-N
-rxn:4:190826:224160,CC(C)(C)OC(=O)N1Cc2ccc(-c3ccc4c(c3)CCN4C(=O)OC(C)(C)C)cc2C1=O,FGHZBBRIIWOLCG-UHFFFAOYSA-N
-rxn:4:190869:224716,CN(C(=O)OC(C)(C)C)c1ccc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)C(=O)CO3)cn1,ZLJZWJZSESOIHK-UHFFFAOYSA-N
-rxn:4:190897:224319,CSC1CC2CCC(C1)N2C(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2C)o1,XDNQDPVLZINZRZ-UHFFFAOYSA-N
-rxn:4:190926:224646,CC(C)(C)OC(=O)N1CCC(=O)c2ccc(-c3ccc(OC4CCOCC4)c(C#N)c3)cc21,MLGWVONIPGYFKE-UHFFFAOYSA-N
-rxn:4:191006:222804,COC1CC2CCC(C1)N2S(=O)(=O)c1ccc(-c2ccc(NC3CCS(=O)(=O)CC3)cc2)cc1,AYGZIRUAOZGPSL-UHFFFAOYSA-N
-rxn:4:191031:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2ccc3c(c2)CCN(C(=O)OC(C)(C)C)CC3)cc1,POOWTIGSQIQSMY-UHFFFAOYSA-N
-rxn:4:191033:224970,CC(C)(C)OC(=O)N1CCCc2ccc(-c3ccc(S[Si](C)(C)C(C)(C)C)cc3)cc2C1,XFKIMALLULLKCU-UHFFFAOYSA-N
-rxn:4:191034:222785,CC(C)(C)OC(=O)Nc1cc(-c2ccc3c(c2)CCCN(C(=O)OC(C)(C)C)C3)ccc1F,YYTMFYNUXMFFGI-UHFFFAOYSA-N
-rxn:4:191040:224485,CC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2ccc3cc(OC(=O)N4CCCCCC4)ccc3c2)c1,VFZWBCYLUMONQY-UHFFFAOYSA-N
-rxn:4:191041:225155,CS(=O)(=O)C1CC2CCC(C1)N2C(=O)c1cccc(-c2ccc(C(=O)N3CCOCC3)cc2)c1,JTPLOUZNMPNQOX-UHFFFAOYSA-N
-rxn:4:191055:225568,COC(=O)C(C)(C)c1ccc(-c2ccc3c(c2)C2(CC2)CN(C(=O)OC(C)(C)C)C3)cc1,AQDNSHOODBDCJQ-UHFFFAOYSA-N
-rxn:4:191057:222635,C[C@H](NC(=O)OC(C)(C)C)c1cccc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC32CC2)c1,IWUCLQGYGSXUGX-IBGZPJMESA-N
-rxn:4:191057:224566,COC(=O)C1(c2ccc(-c3ccc4c(c3)CN(C(=O)OC(C)(C)C)CC43CC3)cc2)CCCC1,AMILJOOFSUTZGK-UHFFFAOYSA-N
-rxn:4:191062:226583,CS(=O)(=O)C1CC2CCC(C1)N2S(=O)(=O)c1ccccc1-c1ccc(CN2CCOCC2)s1,FHECQCJABCNYGL-UHFFFAOYSA-N
-rxn:4:191078:223886,COc1cc(C)c(-c2cccc3c2CCN(C(=O)OC(C)(C)C)C3)cc1S(=O)(=O)N1CCCc2ccccc21,WWGHJJRKYPFAHD-UHFFFAOYSA-N
-rxn:4:191087:222913,CC(C)(C)OC(=O)N1CCC(C)(C)c2ccc(-c3ccc(CNS(=O)(=O)C4CC4)cc3)cc21,SJPVZEKJCMSMQT-UHFFFAOYSA-N
-rxn:4:191092:225389,CCC(C)c1cc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)C(C)(C)C3)cc(C2CC2)c1,CNSMIQSXQWXUHB-UHFFFAOYSA-N
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-rxn:4:203833:223151,N#CCNC(=O)c1ccc(-c2ccc(C(=O)N3CCC(N4C(=O)CSC4=O)CC3)o2)cc1,FDYFVKQWDKJLEW-UHFFFAOYSA-N
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-rxn:4:203914:224672,CCN1CCN(c2ccc(-c3ccc(S(=O)(=O)N4CCN(C)CC4)cc3C(F)(F)F)c(Cl)c2)CC1,XOXWGNPSKGVKQD-UHFFFAOYSA-N
-rxn:4:203932:223784,CCN1CCN(CCOc2ccc(-c3cc([N+](=O)[O-])c(OC)cc3N3CCC(C)CC3)cc2F)CC1,BFNIOAMSLDEMKA-UHFFFAOYSA-N
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-rxn:4:203936:222826,COc1ccc(-c2cccc(S(=O)(=O)N3CCNCC3)c2)cc1S(=O)(=O)N1CCN(C)CC1,GYXXVJXUPHKDMX-UHFFFAOYSA-N
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-rxn:4:204111:225367,O=C1C(=Cc2ccc(-c3ccc(-c4cnc(N5CCC(F)(F)CC5)nc4)cc3)o2)SC(=S)N1N1CCOCC1,FZBVALMRCOMULD-UHFFFAOYSA-N
-rxn:4:204112:222722,O=S(=O)(c1cccc(-c2ccc(CN3CCCC3)c(N3CCCCC3)c2)c1)N1CCC(O)CC1,CZRKCYKXASRNHX-UHFFFAOYSA-N
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-rxn:4:204163:222864,CC(C)NCCOc1ccc(-c2ccc(C(=O)N3C(=S)C(c4ccccc4)=NC34CCCCC4)cc2)cc1F,HBTMXANAKOKZCP-UHFFFAOYSA-N
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-rxn:4:204171:223084,CC1CCCN(Cc2ccc(-c3cnc(N4CCC(O)CC4)nc3)cc2N2CCCCC2)C1,VKCSNFWUQRTFGU-UHFFFAOYSA-N
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-rxn:4:204507:222636,C[C@@H](NC(=O)OC(C)(C)C)c1ccc(-c2nc3c(s2)CN(C(=O)OC(C)(C)C)CC3)cc1,IEFAOOPYZLYPLA-OAHLLOKOSA-N
-rxn:4:204576:223562,CCn1c(=NC(=O)C(C)C)sc2cc(-c3ccc(CC4CCN(C(=O)OC(C)(C)C)CC4)cc3)ccc21,PDUBFIWTLIEKMX-UHFFFAOYSA-N
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-rxn:4:204865:226888,CC1CCN(C(=O)C2=CN(c3cccc(-c4cc(Cl)c(F)c(C(F)(F)F)c4)c3)c3ccccc3S2(=O)=O)CC1,PCACWEAVLJXADP-UHFFFAOYSA-N
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-rxn:4:204955:226123,COCc1ccc(-c2ccc3c(c2)C2CC(c4ccc(OC)cc4)=NN2C(C2CCCCC2)O3)cc1C1CC1,YPXKJABDHFNJMG-UHFFFAOYSA-N
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-rxn:4:206195:223660,Cc1cc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)s2)cnc1C(=O)N1CCC1,SVIMQPIASXWVFG-UHFFFAOYSA-N
-rxn:4:206531:223960,CCN1CCN(C(=O)c2cc(-c3cc(F)c([N+](=O)[O-])c(N4CCOCC4)c3)ccc2F)CC1,IKYUWGGZOPVAPJ-UHFFFAOYSA-N
-rxn:4:206544:224127,CCN1CCN(C(C)c2ccc(-c3cnc(N4CCOCC4)cc3C(F)(F)F)cc2)CC1,LTSSOEBRVHMBPZ-UHFFFAOYSA-N
-rxn:4:206640:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3cccc(N4CCCC(F)(F)C4)c3C#N)c2)CC1,CRKHYXSDEFYIHY-UHFFFAOYSA-N
-rxn:4:206641:223814,N#Cc1cccc(-c2ccc(CN3CCC4(CC3)OCCO4)cc2F)c1N1CCCC(F)(F)C1,OCABSTFFVQGCGX-UHFFFAOYSA-N
-rxn:4:206645:223501,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3ccc(C#N)c(N4CCCC(F)(F)C4)c3)cc2Cl)CC1,WNNVLLPUZLGBGX-UHFFFAOYSA-N
-rxn:4:206681:222466,CN1CCN(Cc2occc2-c2cc(C3CCCCC3)nc(C3CCNCC3)c2)CC1,YQTUULYGSKGROI-UHFFFAOYSA-N
-rxn:4:206742:224654,CC(C)(C)[Si](C)(C)Oc1cc(-c2cc(N3CCCC(F)(F)C3)ccc2[N+](=O)[O-])ccc1F,YJQNOLFTXIQUKJ-UHFFFAOYSA-N
-rxn:4:206777:223594,COC1CCN(c2cccc(-c3cc(Cl)cc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)n2)CC1,STFJDXGUUVXHQJ-UHFFFAOYSA-N
-rxn:4:206918:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3c(Cl)cccc3CN3CCN(C)CC3)c2)CC1,QOYHMFLIPGYHRD-UHFFFAOYSA-N
-rxn:4:206936:222588,Cc1cc([N+](=O)[O-])c(N2CCCCC2)cc1-c1ccc(OCCN2CCC(O)CC2)c(F)c1,HLOHPMNTRBNIPZ-UHFFFAOYSA-N
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-rxn:4:207022:222817,COc1ccc(S(=O)(=O)NC2CC2)cc1-c1ccc(C)c(F)c1C(=O)N1CCN(C)CC1,QDVBVTSINGHFQC-UHFFFAOYSA-N
-rxn:4:207058:224377,Cc1cc(-c2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)ccc1S(=O)(=O)N1CCN(C)CC1,HADTXXJXLBCNDZ-UHFFFAOYSA-N
-rxn:4:207080:222899,CCCCNS(=O)(=O)c1ccc(-c2cncc(C(=O)N3CCC4(CC3)OCCCO4)c2)cc1,OXESIMPBQVCRJM-UHFFFAOYSA-N
-rxn:4:207080:222952,O=C(c1cncc(-c2cccc(NC(=O)C(F)(F)F)c2F)c1)N1CCC2(CC1)OCCCO2,CQGLXJMUFGLLNS-UHFFFAOYSA-N
-rxn:4:207442:223531,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc(N4CC5CC5C4)c([N+](=O)[O-])c3)cc2Cl)CC1,FTYAOWIJSXWYBK-UHFFFAOYSA-N
-rxn:4:207635:223687,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3ccc4[nH]c(C(=O)N5CCOCC5)cc4c3)cn2)CC1,UKMTYODHRDJZRV-UHFFFAOYSA-N
-rxn:4:207725:224379,CN1CCN(S(=O)(=O)c2ccccc2-c2ccc3[nH]c(C(=O)N4CCC(F)(F)CC4)cc3c2)CC1,OSEKKEIQKHTSRY-UHFFFAOYSA-N
-rxn:4:207759:224005,CC(=O)N=C1SC2CS(=O)(=O)CC2N1c1ccc(-c2cnc(Cl)c(-c3ccccc3C(F)(F)F)c2)cc1Cl,NJAQHGCBIGMXMT-UHFFFAOYSA-N
-rxn:4:207795:225280,COc1nc(OC)c([Si](C)(C)C)cc1-c1cncc(C(=O)N2C3CCC2CC(=C2CC2)C3)c1,WRTMIYRJTLDQMJ-UHFFFAOYSA-N
-rxn:4:207818:222555,CCN1C(=O)C(=C2SC(=S)N(C(C)C)C2=O)c2cc(-c3ccc(C(=O)Nc4ccc(OC)cc4)cc3)ccc21,OPDIGWLKUAQRBL-UHFFFAOYSA-N
-rxn:4:207818:224753,CCN1C(=O)C(=C2SC(=S)N(C(C)C)C2=O)c2cc(-c3cc(S(=O)(=O)N4CCCC4)ccc3C)ccc21,NAZVOGXLFSCCGU-UHFFFAOYSA-N
-rxn:4:207847:225003,COc1cc(N2CCCCC2)ccc1-c1cccc(N2C(=O)N(c3ccc(C)cc3)C3CS(=O)(=O)CC32)c1,FYLGFQYRVJQLRS-UHFFFAOYSA-N
-rxn:4:207854:224885,CC1CCN(Cc2ccccc2-c2ccc3c(c2)CCN3C2CCN(C3CCC3)CC2)CC1,GEODJAAZTMQAGI-UHFFFAOYSA-N
-rxn:4:207857:225920,Cc1ccc(OCC(F)(F)F)c(-c2ccc(C(=O)N3C4CCC3CC3(C4)CN(C)C(=O)C(C)O3)o2)c1,IGKISSAAJZAJMH-UHFFFAOYSA-N
-rxn:4:209221:223536,CC(C)(C)OC(=O)N1CCN(c2cc(-c3ccnc(N4CCSC4)c3)cc(F)c2F)CC1,WFYPGJJLRIAHIW-UHFFFAOYSA-N
-rxn:4:209222:223536,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cccc(N4CCSC4)n3)cc(F)c2F)CC1,PVMCTGOMQKAHCE-UHFFFAOYSA-N
-rxn:4:209223:223531,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cc(N4CCSC4)ccn3)cc2Cl)CC1,VQGZYIFUTVWVDG-UHFFFAOYSA-N
-rxn:4:209239:223527,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)ccc2-c2cncc(C3=NCCC3)c2)CC1,LXOLXUQKVJKJQQ-UHFFFAOYSA-N
-rxn:4:209239:223530,CC(C)(C)OC(=O)N1CCN(Cc2ccc(F)cc2-c2cncc(C3=NCCC3)c2)CC1,DYYBAEPKUBNVRJ-UHFFFAOYSA-N
-rxn:4:209242:223528,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3cnccc3N3CCSC3)ccc2F)CC1,BMYRHHGBPKKFQA-UHFFFAOYSA-N
-rxn:4:209242:223529,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cnccc3N3CCSC3)cc2F)CC1,PYKFFKHEDWEGAI-UHFFFAOYSA-N
-rxn:4:209243:223536,CC(C)(C)OC(=O)N1CCN(c2cc(-c3ccc(N4CCSC4)nc3)cc(F)c2F)CC1,CJRZHKWNYQRUQD-UHFFFAOYSA-N
-rxn:4:209244:223536,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cccnc3N3CCSC3)cc(F)c2F)CC1,LCWAAGOJDCUTSP-UHFFFAOYSA-N
-rxn:4:209628:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cnccc3N3CCOCC3)c2Cl)CC1,BPTHUJDZVLUMGR-UHFFFAOYSA-N
-rxn:4:209640:223505,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(-c3cc(F)cnc3N3CCOCC3)cc2)CC1,ULCXJFOGACFFJO-UHFFFAOYSA-N
-rxn:4:209843:223689,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(N4CCN(C)CC4)cc3)ccc2OC)CC1,CDDMHWNAWXGZEX-UHFFFAOYSA-N
-rxn:4:210681:223596,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)ccc2-c2ccc(C3=CSC4=NCCN34)cc2)CC1,FIPBOQDFWLYHKY-UHFFFAOYSA-N
-rxn:4:210794:223840,COc1ccc(-c2ccc(C3CN4CCSC4=N3)cc2)cc1S(=O)(=O)N1CCN(C)CC1,KUHAKCZMLVLMQC-UHFFFAOYSA-N
-rxn:4:211068:223557,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc4c(c3)N3CCCC3=C(C#N)S4(=O)=O)c(F)ccc21,IHSFDKQMTHXAOE-UHFFFAOYSA-N
-rxn:4:211101:222621,Cc1ccc(C2=NN3C(C2)c2cc(-c4cc(CC(C)C)nc(C5CCCNC5)c4)ccc2OC32CCC(C)CC2)cc1,BIXUUCAKSWCREN-UHFFFAOYSA-N
-rxn:4:212521:223271,CC(=O)Nc1cc(-c2cnc(OC3CCN(S(=O)(=O)CCC(F)(F)F)C3)nc2)ccc1F,PHAXDWZHHOKHGP-UHFFFAOYSA-N
-rxn:4:212539:223888,CCN(Cc1c(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CCC3)cnn1C)C(=O)OC(C)(C)C,IACOEHGTEQMOHM-UHFFFAOYSA-N
-rxn:4:212545:224680,O=C(c1ccc(F)c(-c2cnn(CC3CN(S(=O)(=O)c4ccccc4OC(F)(F)F)C3)c2)c1)N1CCCCC1,AKQNDBKPVCSSSE-UHFFFAOYSA-N
-rxn:4:212584:222945,CC(C)NS(=O)(=O)c1ccc(-c2cn(C)nc2CN(C(=O)OC(C)(C)C)C(C)C)cc1F,QOXQEPXFDJENJJ-UHFFFAOYSA-N
-rxn:4:212597:224251,Cc1cccc(OCC(=O)N2CCC(Oc3ncc(-c4ccc(C(=O)N5CCCC(C)C5)cc4F)cn3)C2)c1,UJLWEDAWYJGODG-UHFFFAOYSA-N
-rxn:4:212608:225172,CC(=O)OC(C)(C)C(=O)N1CCCC(Oc2ncc(-c3cc(CN4CCOCC4)ccc3F)cn2)C1,VULSKPNDXDGXIB-UHFFFAOYSA-N
-rxn:4:212629:223814,O=C(c1cncc(-c2ccc(CN3CCC4(CC3)OCCO4)cc2F)c1)N1CCC(COc2cccc(C(F)(F)F)n2)CC1,CKLLCZAPVVDOAF-UHFFFAOYSA-N
-rxn:4:212649:225875,CCC(C)(C)C(=O)N1CCCC(COc2ncc(-c3ccc(N4CCOCC4)cc3Cl)cn2)C1,ALJOJTGUKVSLQP-UHFFFAOYSA-N
-rxn:4:212650:224196,CCN1CCN(Cc2cc(F)cc(-c3cnc(OCC4CCCN(C(=O)CC(C)(C)C)C4)nc3)c2)CC1,RRJKSUFNESAQIZ-UHFFFAOYSA-N
-rxn:4:212650:226554,CCCOc1cc(F)c(-c2cnc(OCC3CCCN(C(=O)CC(C)(C)C)C3)nc2)cc1F,POXFDBICXGRRAF-UHFFFAOYSA-N
-rxn:4:212679:222622,CCC(C)c1cc(-c2ccccc2CCC(=O)N2CCC(Oc3ncc(C)cn3)CC2)cc(C2CCCNC2)n1,CRAUIPTXOUDNTQ-UHFFFAOYSA-N
-rxn:4:212694:229175,COCCN1C(=O)CN(C2CCN(C(=O)c3ccccc3-c3ccnc(Cl)c3F)CC2)C1=O,DOLGVTMVUIIQBH-UHFFFAOYSA-N
-rxn:4:212711:223140,CC(C)(C)c1ccc(OCC2CCN(C(=O)c3ccc(-c4ccnc(C5CCCNC5)c4)o3)CC2)nn1,WGENPYNALLDWLP-UHFFFAOYSA-N
-rxn:4:212728:225223,COc1cc(OC)cc(-c2noc(C3CCN(S(=O)(=O)c4ccc(-c5cnc(N6CCC(C)CC6)cc5F)cc4)CC3)n2)c1,GXGMFEVLTUQKHT-UHFFFAOYSA-N
-rxn:4:212729:225947,COc1ccc(-c2noc(C3CCCN(S(=O)(=O)c4ccc(-c5cnc(N6CCN(C)CC6)nc5)cc4)C3)n2)cc1OC,ZBKGMRATRWHTSE-UHFFFAOYSA-N
-rxn:4:212730:223810,COc1ccc(-c2noc(C3CCCN(S(=O)(=O)c4ccc(-c5cc(C)c(S(=O)(=O)N6CCC(C)CC6)c(C)c5)cc4)C3)n2)c(OC)c1,CKGOCUUQIQNJMS-UHFFFAOYSA-N
-rxn:4:212737:226804,CC(C)(C)OC(=O)N1CCN(c2cc(CN3CCOCC3)cc(-c3cnn(-c4ccnc(F)c4)c3)c2)CC1,UPUCCCGFLOBZJC-UHFFFAOYSA-N
-rxn:4:212738:224179,CN1CCN(CCOc2ccc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)c(N4CCOCC4)c3)cc2)CC1,HVUZGEFRHFFYLR-UHFFFAOYSA-N
-rxn:4:212739:228302,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cc(C#N)nc(C#N)c3)cc2N2CCCCC2)CC1,UCHFVRNEUHZAIJ-UHFFFAOYSA-N
-rxn:4:212798:222637,CC(NC(=O)OC(C)(C)C)c1ccc(-c2ccc(COc3cccc4c3C(=O)N(N(C)c3ncc(C(F)(F)F)cc3Cl)C4=O)cc2)cc1,RKWPJFKYSROQMH-UHFFFAOYSA-N
-rxn:4:212799:225113,CN(C)CCN(C(=O)C1CCCCC1)c1nc2ccc(-c3cccc(C(=O)OOC(C)(C)C)c3)cc2s1,MECJLNSIQBERAQ-UHFFFAOYSA-N
-rxn:4:212814:226992,CCOC(C)c1ccc(-c2c3c(nn2C(=O)OC(C)(C)C)C(C)(C)N(C(=O)OC(C)(C)C)C3)cc1,VPAALLKYYPHFEZ-UHFFFAOYSA-N
-rxn:4:212847:222543,CC(C)(C)OC(=O)NC1(c2ccc(-c3ccc(C(=O)CSc4ncc5c(n4)-c4ccccc4N(Cc4ccc(F)cc4)S5(=O)=O)cc3)cc2)CC1,LFGPSNXJUCNRHX-UHFFFAOYSA-N
-rxn:4:212907:224782,CN1CCN(c2cc(-c3cnc(OC4CCN(C(=O)CC5CC5)C4)nc3)cc(F)c2F)CC1,XBHREMNTMJKKTL-UHFFFAOYSA-N
-rxn:4:212920:224325,COCCN1CCC(Oc2ncc(-c3ccc(C4=CCN(S(C)(=O)=O)CC4)cc3)cn2)CC1,KSPKXRPCGGNRNW-UHFFFAOYSA-N
-rxn:4:212944:225124,CCOC(=O)N1CCN(c2ncc(C(F)(F)F)cc2-c2ccnc(OCC3CCOCC3)c2)CC1,ZPCFSHHDBOZVNL-UHFFFAOYSA-N
-rxn:4:212988:222546,CC(C)(C)OC(=O)N1CCN(C(=O)c2csc(-c3ccc(OCCNC4CCCCC4)c(F)c3)n2)CC1,SBUNZZSRHADHKZ-UHFFFAOYSA-N
-rxn:4:212991:223074,O=S(=O)(Nc1cccc(-c2cnc(OCC3CCN(S(=O)(=O)C4CC4)CC3)nc2)c1)C1CC1,WBWMUYDPQKEVFN-UHFFFAOYSA-N
-rxn:4:212992:226268,CCCOc1c(SC)cccc1-c1cnc(OCC2CCCN(S(=O)(=O)C3CC3)C2)nc1,FTQAKXBIVNQVQB-UHFFFAOYSA-N
-rxn:4:212993:226448,CCOC(=O)C1(C)CCN(C(=O)c2ncc(-c3cnc(Cl)c(C4CCCC4)c3)cn2)CC1,IWSMFTNYQCPYHW-UHFFFAOYSA-N
-rxn:4:213013:225875,CCC(C)C(=O)N1CCC(Oc2ncc(-c3ccc(N4CCOCC4)cc3Cl)cn2)CC1,PIQYDZKJDAYFSV-UHFFFAOYSA-N
-rxn:4:213037:224759,CC(C)CCN1CCC(Oc2ncc(-c3cc(F)cc(C(=O)N4CCOCC4)c3)cn2)CC1,HJBUUWKDJXVEBC-UHFFFAOYSA-N
-rxn:4:213045:222634,O=C(C1CCC1)N1CCCC(COc2ncc(-c3ccc(OCCNC4CCCC4)c(F)c3)cn2)C1,KWBIWVHQQBPYOG-UHFFFAOYSA-N
-rxn:4:213065:224765,O=C(c1ccc(C(F)(F)F)cc1)N1CCCC(Oc2ncc(-c3cc(C(F)(F)F)ccc3N3CCCC3)cn2)C1,QMOMQCAMQLBNJJ-UHFFFAOYSA-N
-rxn:4:213075:225977,CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(-c3cc(Cl)cnc3N3CCOCC3)n2)CC1,WFTIYLWNKRSJIP-UHFFFAOYSA-N
-rxn:4:213080:225218,CC1CCCN(c2ncc(-c3cncc(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c3)cc2Cl)C1,OKEOGMGIMWAHIO-UHFFFAOYSA-N
-rxn:4:213098:222610,CC(C)(C)OC(=O)Nc1cc(-c2cc(C#N)cc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)cc([N+](=O)[O-])c1,XLROJJLUFYRNSY-UHFFFAOYSA-N
-rxn:4:213123:223095,CC(=O)Nc1cccc(-c2ccccc2CC(=O)N2CCN(c3ccnc(C(F)(F)F)c3)C(=O)C2)c1[N+](=O)[O-],RUBGPKHUXVUXAD-UHFFFAOYSA-N
-rxn:4:213123:226240,COC(=O)CCc1ccc(-c2ccccc2CC(=O)N2CCN(c3ccnc(C(F)(F)F)c3)C(=O)C2)cc1,HNVGBIQCEKIEEK-UHFFFAOYSA-N
-rxn:4:213131:224592,CC(C)(C)C(=O)N1CCC(COc2ncc(-c3cc(C4(C#N)CCCCC4)ccc3F)cn2)CC1,MZFLNGYVYJCYKF-UHFFFAOYSA-N
-rxn:4:213131:226554,CCCOc1cc(F)c(-c2cnc(OCC3CCN(C(=O)C(C)(C)C)CC3)nc2)cc1F,NVYQWADESBEJGX-UHFFFAOYSA-N
-rxn:4:213132:222546,CC(C)(C)C(=O)N1CCCC(COc2ncc(-c3ccc(OCCNC4CCCCC4)c(F)c3)cn2)C1,QQCWSEGIHBQSMJ-UHFFFAOYSA-N
-rxn:4:213138:223168,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3cccnc3N3CCNCC3)cnc2F)CC1,UZAKUPUGZGZXFS-UHFFFAOYSA-N
-rxn:4:213157:224328,Cc1cc(OC2CN(C(=O)c3cncc(-c4cccc(S(=O)(=O)N5CCCCC5C)c4)c3)C2)cc(=O)n1C1CC1,KBBYLCRKDHSFMB-UHFFFAOYSA-N
-rxn:4:213170:222656,O=C(NC1CCCCC1)c1ccc(-c2cccc(S(=O)(=O)N3CCN(CCc4ccccn4)CC3)c2)cc1F,CJGDYXXNPZJNBZ-UHFFFAOYSA-N
-rxn:4:213192:228863,COCCn1cc(-c2cc(C(=O)OC(C)(C)C)cc(N3CCN(C(C)=O)CC3)n2)cn1,BTUIITFOOBZSSL-UHFFFAOYSA-N
-rxn:4:213204:224773,Cc1cnc(OCC2CCCN(S(=O)(=O)c3ccccc3-c3ccc(S(=O)(=O)N4CCCC4)c(C)c3)C2)nc1,SEGOYDCIQQXCFI-UHFFFAOYSA-N
-rxn:4:213215:222616,CC(C)(C)c1cc(-c2cnc(OCC3CCN(CC4CCOCC4)CC3)nc2)cc(C2CCNCC2)c1,TUKGFTFOQZVOGN-UHFFFAOYSA-N
-rxn:4:213215:223255,CONC(=O)c1cccc(-c2cnc(OCC3CCN(CC4CCOCC4)CC3)nc2)c1,MCIWGHZGRRFQPH-UHFFFAOYSA-N
-rxn:4:213216:226776,COC(=O)c1cc(-c2cnc(OCC3CCCN(CC4CCCCO4)C3)nc2)cc(Cl)c1F,CEZZYTBXTNZOQU-UHFFFAOYSA-N
-rxn:4:213217:226333,CCN1CCN(c2ncc(-c3cccc(C(=O)N4CCC4)c3)cc2C(=O)OC(C)(C)C)CC1,GKAUCTOAWNBHFC-UHFFFAOYSA-N
-rxn:4:213219:222555,CCN1CCN(c2ccc(-c3ccc(C(=O)Nc4ccc(OC)cc4)cc3)c(C(=O)OC(C)(C)C)n2)CC1,JNMHHWGGDIFSCH-UHFFFAOYSA-N
-rxn:4:213219:224732,CCN1CCN(c2ccc(-c3ccc(S(=O)(=O)OCC(C)(C)C)cc3)c(C(=O)OC(C)(C)C)n2)CC1,ZQSHDGGMSAVSOO-UHFFFAOYSA-N
-rxn:4:213223:224255,COc1ccc(-c2cc(F)cc(C(=O)N3CCCC(C)C3)c2)c(C(=O)N2CCC(Cn3ccnc3C)CC2)c1,FOTQUGFCFPJLJI-UHFFFAOYSA-N
-rxn:4:213253:222399,CS(=O)(=O)N1CCC(C(=O)N2CCC(Oc3ccncc3-c3cccc(C(=O)Nc4nc[nH]n4)c3)C2)CC1,BQRTXSNHQJJHIF-UHFFFAOYSA-N
-rxn:4:213262:225640,CC1CCCCN1c1cc(-c2ccc(C(=S)N3CCN(C(=S)c4ccc(N(C)C)cc4)CC3)cc2)ccn1,PHGKKFPPRYRJPY-UHFFFAOYSA-N
-rxn:4:213263:222628,CN(C)c1ccc(C(=S)N2CCN(C(=S)c3cccc(-c4cc(C5CCC5)nc(C5CCCNC5)c4)c3)CC2)cc1,KNHKUVZOFCHFCB-UHFFFAOYSA-N
-rxn:4:213265:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1ccc(C(=O)N2CCC(N3CCC(Oc4nccs4)CC3)CC2)o1,VKBDMUYBZFMXAQ-UHFFFAOYSA-N
-rxn:4:213266:224082,CCC(C(=O)OC(C)(C)C)c1cccc(-c2cc(C(=O)OC(C)(C)C)cc(N3CCN(C(C)C)CC3)n2)c1,NSUCLVYOLRAOBL-UHFFFAOYSA-N
-rxn:4:213271:225086,COc1ccc(-c2ccc(OCCCN(C)C)c(Cl)c2)c(C(=O)N2CCC(N3CC(=O)N(C4CC4)C3=O)CC2)c1,BQRQGXWSGGSOLM-UHFFFAOYSA-N
-rxn:4:213277:223835,COc1ccc(S(=O)(=O)N2CCC(c3nc(-c4cccc(-c5cc(S(=O)(=O)N6CCC(C)CC6)c(C)cc5F)c4)no3)CC2)cc1,WYSGXUUGFKKWEI-UHFFFAOYSA-N
-rxn:4:213281:223177,CS(=O)(=O)NCc1ccc(-c2cccnc2OC2CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)CC2)cc1,PUKYSIBYWALMFP-UHFFFAOYSA-N
-rxn:4:213282:223160,CCNC(=O)c1ccc(-c2cccc(N3CC(C(=O)N4CCC(Oc5ccncc5)CC4)CC3=O)c2)c(F)c1,CPXOHGOYYMRXJW-UHFFFAOYSA-N
-rxn:4:213289:224082,CCC(C(=O)OC(C)(C)C)c1cccc(-c2cnc(C(C)(C)C)nc2C2CCN(C(=O)OC(C)(C)C)CC2)c1,VRQOHUPAQBMMSM-UHFFFAOYSA-N
-rxn:4:213336:227768,COC(=O)c1nc(-c2cccn2S(=O)(=O)N(C)C)n2c1CCN(C(=O)OC(C)(C)C)CC2,OVLPVERGTBNTGX-UHFFFAOYSA-N
-rxn:4:213337:225220,CCCCC(=O)N1CCN(c2nc3ccc(-c4cnc(N5CCCCC5C)c(Cl)c4)cc3s2)CC1,BPKSQGKUSGVLKV-UHFFFAOYSA-N
-rxn:4:213337:225222,CCCCC(=O)N1CCN(c2nc3ccc(-c4cc(N5CCCCC5C)ncc4F)cc3s2)CC1,LTWJTNQQCBEZLK-UHFFFAOYSA-N
-rxn:4:213337:225231,CCCCC(=O)N1CCN(c2nc3ccc(-c4cnc(Cl)c(N5CCCCC5C)c4)cc3s2)CC1,ZKYPGNQEOSHPPP-UHFFFAOYSA-N
-rxn:4:213348:223884,CC(=O)N1CCN(C(=O)CCn2ccc3c(-c4ccc5c(c4)CCN(C(=O)OC(C)(C)C)C5)cccc32)CC1,IWNQTOJYSMBBLQ-UHFFFAOYSA-N
-rxn:4:213353:226090,CCN(CC)Cc1cccc(-c2cnccc2OC2CCN(C(=O)CN3C(=O)c4ccccc4C3=O)C2)c1,LSJRDFIBISSDFI-UHFFFAOYSA-N
-rxn:4:213380:225274,COCCOc1c(F)cc(-c2ccc(-n3c(SCC(=O)N4CCCCC4)nc4c(c3=O)SCC4)cc2)c(C)c1F,BAZPWGWQARXLCC-UHFFFAOYSA-N
-rxn:4:213406:224316,CCS(=O)(=O)c1ccccc1C(=O)N1CCN(c2nc3ccc(-c4cc(F)cc(C(=O)N5CCN(C)CC5)c4)cc3s2)CC1,RPEUGWVQPUKEFZ-UHFFFAOYSA-N
-rxn:4:213440:223759,COc1cc(COc2ccc(-c3ccc4ccn(CC(=O)N5CCN(C(=O)C6COc7ccccc7O6)CC5)c4c3)cc2)cc(OC)c1,VZLWGAGAVWMTCJ-UHFFFAOYSA-N
-rxn:4:213453:223150,CC(C)C1N=C2c3ccccc3N=C(SCC(=O)c3ccc(-c4ccnc(NCCN(C)C)c4)cc3)N2C1=O,YLNRBJAAISDPOV-UHFFFAOYSA-N
-rxn:4:213458:222771,COc1ccc(-c2ccc(F)c(C(=O)NC3CCCC3)c2)cc1[C@@H]1[C@@H](C(C)=O)N2c3ccccc3C=C[C@@H]2C1(C#N)C#N,WRWGEPRHJXEXGB-WRVRXEDSSA-N
-rxn:4:213626:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2cnn(C3CN(C(=O)OC(C)(C)C)C3)c2)cc1,MBSPVGULYXVXGR-UHFFFAOYSA-N
-rxn:4:213632:222821,CC(C)(C)NS(=O)(=O)c1cc(-c2nccn2C2CN(C(=O)OC(C)(C)C)C2)ccc1F,NSHXTVQGWBXXRR-UHFFFAOYSA-N
-rxn:4:213657:222945,CC(C)NS(=O)(=O)c1ccc(-c2cnn([C@H]3CON(C(=O)OC(C)(C)C)C3)c2)cc1F,GNEPSQCKOCDYGB-MRXNPFEDSA-N
-rxn:4:213679:224018,O=S(=O)(c1ccc(Cl)cc1)N1CC(Cn2cc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCOCC3)cn2)C1,COGHDZTWCSMDEF-UHFFFAOYSA-N
-rxn:4:213687:224321,COCCN1CCN(c2ccc(-c3cccc(S(=O)(=O)N4CCC(C)CC4)c3)cn2)CC1,WNJNRBJIXXIYBV-UHFFFAOYSA-N
-rxn:4:213687:224379,COCCN1CCN(c2ccc(-c3ccccc3S(=O)(=O)N3CCN(C)CC3)cn2)CC1,XIWIRNMHEQOZMC-UHFFFAOYSA-N
-rxn:4:213737:223505,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCC(Oc5ccncn5)C4)cc3)cc2)CC1,JUZOJDMIPSGYMC-UHFFFAOYSA-N
-rxn:4:213757:224486,CC(C)N(C(=O)c1cccc(-c2cccc(CC3CCN(S(=O)(=O)N(C)C)C3)n2)c1)C(C)C,IIVRWEJMKNGDJV-UHFFFAOYSA-N
-rxn:4:213759:223576,CC(C)(C)OC(=O)N1CCC(Oc2cccc(-c3cnc(C4CCCN4C(=O)OC(C)(C)C)cn3)c2)CC1,JFTWNALTXUSEOQ-UHFFFAOYSA-N
-rxn:4:213777:223838,CCOC(=O)c1nc(N2CCN(C)CC2)ccc1-c1ccc(N2CCN(S(=O)(=O)N(C)C)CC2)cc1,ARBHIMRWZMKICV-UHFFFAOYSA-N
-rxn:4:213798:225170,CC(C)(C)OC(=O)N1CCOC(c2cnc(-c3cc(F)ccc3CN3CCOCC3)cn2)C1,JNIPNONRRXVFLY-UHFFFAOYSA-N
-rxn:4:213801:225882,CC(C)(C)OC(=O)N1CCOC(c2cncc(-c3cnc(Cl)c(C4CCOCC4)c3)n2)C1,DRRMPZAEBGYXMD-UHFFFAOYSA-N
-rxn:4:213802:225805,CC(c1ccc(-c2cccnc2OC2CCN(S(=O)(=O)N(C)C)CC2)s1)N1CCOCC1,MNYBSPCVICRATQ-UHFFFAOYSA-N
-rxn:4:213838:223079,CC(C)NS(=O)(=O)c1cccc(-c2c[nH]nc2C2CCN(C(=O)OC(C)(C)C)CC2)c1,MRGKKRFVRLZQFE-UHFFFAOYSA-N
-rxn:4:213839:223812,CC(C)(C)OC(=O)N1CCC(n2ccnc2-c2cc(F)cc(CN3CCC4(CC3)OCCO4)c2)CC1,NWALSPVFEBELMA-UHFFFAOYSA-N
-rxn:4:213852:224280,CC(C)(C)OC(=O)N1CCc2sc(-c3ccc(CN4CCC(Oc5ncc(F)cn5)CC4)cc3)cc2C1,HKHGBONRVKOGGI-UHFFFAOYSA-N
-rxn:4:213880:223065,CC(C)(C)OC(=O)N1CCN(c2cnccc2-c2ccc(N3CCNCC3)cc2F)CC1,PIPGXMQNPMBDOU-UHFFFAOYSA-N
-rxn:4:213883:224368,Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)sc1-c1cnc(Cl)c(N(C)C(=O)OC(C)(C)C)c1,ASKVQCKNJYURJS-UHFFFAOYSA-N
-rxn:4:213900:224755,CC(C)(C)OC(=O)N1CCCC(c2ncc(-c3cc(C(=O)N4CCOCC4)ccc3F)cn2)C1,AKNMLRBHLKQPQS-UHFFFAOYSA-N
-rxn:4:213902:222916,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3cccc(C(=O)NC4=NCCS4)c3)cc2F)CC1,BUGBWRMABLVRDU-UHFFFAOYSA-N
-rxn:4:213910:223176,CS(=O)(=O)NCc1cccc(-c2cccnc2OC2CCN(S(=O)(=O)N3CCOCC3)C2)c1,ZCHJIUGUUMSYNP-UHFFFAOYSA-N
-rxn:4:213937:225165,COc1cc(N2CCN(S(=O)(=O)c3ccccc3-c3ccc(N4CCOCC4)c(OC)c3)CC2=O)ccn1,IVJKUAJGKMWIKL-UHFFFAOYSA-N
-rxn:4:213947:223784,CCN1CCN(CCOc2ccc(-c3ccn(C4CCN(C(=O)OC(C)(C)C)CC4C)n3)cc2F)CC1,PMULZIMFRTVXQZ-UHFFFAOYSA-N
-rxn:4:213954:222799,Cc1cc(-c2cnccc2OC2CCN(C3CCN(C4CC4)C3=O)C2)ccc1S(=O)(=O)NC(C)(C)C,LVMJFMBLDIJJAV-UHFFFAOYSA-N
-rxn:4:213971:226231,CCCCOc1ncc(-c2cc(C(F)(F)F)cnc2N2CCOC(C(=O)N3CCOCC3)C2)cc1C,FQZWNZQVWPYCOI-UHFFFAOYSA-N
-rxn:4:213972:225518,CCCCCOc1ncc(C)cc1-c1cnc(N2CCOC(C(=O)N3CCOCC3)C2)c(C(F)(F)F)c1,KQPZTUJZSREVEI-UHFFFAOYSA-N
-rxn:4:213973:223802,O=C(C1CN(c2ncc(C(F)(F)F)cc2-c2cccc(OCc3ccc(C(F)(F)F)cc3)c2)CCO1)N1CCSCC1,NLFZTKZAKQGJDB-UHFFFAOYSA-N
-rxn:4:213983:223025,CCCNC(=O)c1cc(-c2cnc(C3CCN(C(=O)OC(C)(C)C)CC3C)cn2)ccc1Cl,APGFNFWWGKTWQF-UHFFFAOYSA-N
-rxn:4:213985:223970,Cc1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)c(-c2ccc(C)c(S(=O)(=O)N3CCC(C)CC3)c2)c1,ADMDIAOLSIOBEJ-UHFFFAOYSA-N
-rxn:4:213996:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3cnccc3N3CCN(C(=O)OC(C)(C)C)CC3C)c2)CC1,SVYPUIOEZPDHJW-UHFFFAOYSA-N
-rxn:4:213998:226282,CC(C)COc1cccc(-c2cncc(N3CCN(C(=O)OC(C)(C)C)C(C)C3)c2)c1F,KBCCCQMQMADIJZ-UHFFFAOYSA-N
-rxn:4:214033:225470,CC1CCN(c2ccc(-c3cc(C4=N[C@@H](C(C)C)CO4)nc(C4=N[C@@H](C(C)C)CO4)c3)cc2)CC1,AZBNLAMCCPCDHA-KAYWLYCHSA-N
-rxn:4:214033:227918,CC(C)[C@H]1COC(c2cc(-c3ccc(SC4CC4)cc3)cc(C3=N[C@@H](C(C)C)CO3)n2)=N1,KGUXHAAZGQXHSW-DNQXCXABSA-N
-rxn:4:214033:228373,CC(C)[C@H]1COC(c2cc(-c3ccc(Cl)c(C#N)c3F)cc(C3=N[C@@H](C(C)C)CO3)n2)=N1,QJOMFUKDYRKERB-NHCUHLMSSA-N
-rxn:4:214033:228437,CC(C)[C@H]1COC(c2cc(-c3ccc(C(F)F)cc3F)cc(C3=N[C@@H](C(C)C)CO3)n2)=N1,SEVJVWYBUUDOJO-NHCUHLMSSA-N
-rxn:4:214036:222911,COC(=O)c1cc(NC(C)=O)cc(-c2ccc(C3=NN(S(C)(=O)=O)C(c4ccc(N(C)C)cc4)C3)cc2)c1,ZJXQGXXCCYRDAM-UHFFFAOYSA-N
-rxn:4:214043:223896,COc1cccc(-c2ccccc2-c2noc(C3CCCN(S(=O)(=O)c4ccc(Cl)cc4)C3)n2)c1C(=O)N(C(C)C)C(C)C,BSYONINTANQKGE-UHFFFAOYSA-N
-rxn:4:214046:224171,C[C@@H]1CN(c2ccc(-c3ccc(OCCCN4CCCC4)c(F)c3)cn2)[C@@H](C)CN1C(=O)OC(C)(C)C,KMCDCKGNMGMSFA-FCHUYYIVSA-N
-rxn:4:214051:224334,CC(C)c1sc(-c2ccnc(-c3ccccc3C(F)(F)F)c2)nc1C(=O)N1CCN(C2CCS(=O)(=O)C2)CC1,CDPSMUIHLPCZHY-UHFFFAOYSA-N
-rxn:4:214058:222601,COC1CCN(C2CCN(C(=O)c3cncc(-c4cccc5sc(NC(=O)OC(C)(C)C)nc45)c3)CC2)CC1,QLTAVJWXULCLQF-UHFFFAOYSA-N
-rxn:4:214059:225758,CC(C)(C)OC(=O)c1cnccc1-c1ccc(N2CCC3(CC2)CN(C(=O)OC(C)(C)C)C3)nc1,XZXHJKOLNRHHNS-UHFFFAOYSA-N
-rxn:4:214063:224288,Cc1cc(C(=O)CN2CCN(C)CC2)c(C)n1-c1ccc(-c2ccc(N(C)C(=O)OC(C)(C)C)cc2Cl)cc1,PAEAAHOIXQFIMP-UHFFFAOYSA-N
-rxn:4:214081:223474,O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1C(=S)C(c2ccc(-c3ccc(OCc4ccccc4)c(C45CC6CC(CC(C6)C4)C5)c3)cc2)=NC12CCCCCC2,NKPMHAPHLHKROM-UHFFFAOYSA-N
-rxn:4:214082:227381,CC(C)N1CCN(Cc2ccc(-c3cnc(C4CCCC4)nc3)cc2N2CCOCC2)CC1,YLTJZTVYBPMIGL-UHFFFAOYSA-N
-rxn:4:214085:227478,COC(OC)c1cncc(-c2ccc(C=C3N=C(C4CCCCC4)N(c4cc([N+](=O)[O-])ccc4C)C3=O)cc2)c1,UQTKZCBICAXYEP-UHFFFAOYSA-N
-rxn:4:214086:227381,CC(C)N1CCN(Cc2ccc(-c3cnc(C4CCCC4)nc3)cc2N2CCCCC2)CC1,CHJMMSBLYIGDAB-UHFFFAOYSA-N
-rxn:4:214153:224174,CCN(C(=O)OC(C)(C)C)c1ccc(-c2cnn3c2OC[C@H](N(C)C(=O)OC(C)(C)C)C3)cc1,BZTNWWXFAUTQLC-LJQANCHMSA-N
-rxn:4:214155:223590,Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1-c1ccccc1CCC(=O)N1CCc2ncncc2C1,MWKCAPMJQFURQA-UHFFFAOYSA-N
-rxn:4:214194:225170,CC(Oc1nn(C)c2ccc(-c3cc(F)ccc3CN3CCOCC3)cc12)C(=O)N1CCOCC1,OMKAOFJHFUPTJL-UHFFFAOYSA-N
-rxn:4:214201:223663,CC(C)(C)OC(=O)N1C2CC1CN(c1ccc(-c3cc(OCc4ccccc4)cc(OC(F)(F)F)c3)cn1)C2,BKKUPRXFRDKHMZ-UHFFFAOYSA-N
-rxn:4:214273:223946,CCN(C(=O)OC(C)(C)C)c1ccc(-c2ccc3ncn(C4CCN(C(=O)OC(C)(C)C)CC4)c3c2)c(Cl)c1,YIEOOMNHFGQWDI-UHFFFAOYSA-N
-rxn:4:214276:224197,CCN1CCN(Cc2ccc(-c3cnc4[nH]c(C5CCN(C(=O)OC(C)(C)C)CC5)cc4c3)cc2F)CC1,TZMYXDWEGSFMHD-UHFFFAOYSA-N
-rxn:4:214291:223098,CC(=O)NS(=O)(=O)c1ccc(-c2ccc3nc([C@@H]4[C@H]5CC[C@H](C5)N4C(=O)OC(C)(C)C)[nH]c3c2)cc1,YOYXFEOYVPUDRY-YYDVJCTNSA-N
-rxn:4:214296:225329,CC(C)(C)OC(=O)N1CCN(c2ccnc3ccc(-c4ccc(OCC(F)(F)F)c(C#N)c4)cc23)CC1,FWNAPTNFZNXTOT-UHFFFAOYSA-N
-rxn:4:214337:224316,CN1CCN(C(=O)c2cc(F)cc(-c3cccc(CN4CCC(N(C)C5=NS(=O)(=O)c6ccccc65)CC4)c3)c2)CC1,RPTAYYQPOWJMTJ-UHFFFAOYSA-N
-rxn:4:214349:223899,COc1cc(C(=O)N(C(C)C)C(C)C)ccc1-c1ccc(C(=O)N2CCC(Cn3nc4c(cc3=O)CCCC4)CC2)cc1,RUMIESKHEAXSPH-UHFFFAOYSA-N
-rxn:4:214353:222697,CC(C)(C)[Si](C)(C)O[C@H]1CC[C@H](n2cc(-c3ccc(Cl)c(C(=O)N4CCC(O)CC4)c3)c3cnc(Cl)nc32)CC1,NJRYVLXWOAMOQE-AQYVVDRMSA-N
-rxn:4:214389:225227,CC(=O)N1CCc2c([nH]c3ccccc23)C12C(=O)N(CCC(C)C)c1ccc(-c3cnc(N4CCC(C)CC4)c(Cl)c3)cc12,GUINYCLBGPSAOG-UHFFFAOYSA-N
-rxn:4:214618:222584,CC(=O)N1CCC(Cc2cnc(-c3ccc(OCCCN4CCNCC4)c(F)c3)cn2)C1,AFZXBKIVNUDQGT-UHFFFAOYSA-N
-rxn:4:214626:222514,COc1ccc(-c2ccc(N3CCN(C(=O)C(F)(F)F)CC3)nc2)cc1S(=O)(=O)NC1CCCCC1,ZMVFXVDMSPZOFO-UHFFFAOYSA-N
-rxn:4:214630:223991,CC(C)(C)[Si](C)(C)Oc1c(F)cc(F)c(-c2c(C3CC3)n[nH]c2C(=O)N2CCOCC2)c1F,HDXJUTURZXMYRC-UHFFFAOYSA-N
-rxn:4:214630:224620,CC(C)(C)[Si](C)(C)OCc1ccc(-c2c(C3CC3)n[nH]c2C(=O)N2CCOCC2)cn1,CXUAJODEUJAARN-UHFFFAOYSA-N
-rxn:4:214654:222693,CN1CCC(Oc2ncc([N+](=O)[O-])cc2-c2ccc(S(=O)(=O)NC3CCCCC3)cc2)CC1,RHCHZEWVJDULJZ-UHFFFAOYSA-N
-rxn:4:214705:224618,CC(C)(C)[Si](C)(C)OCc1cc(-c2cnc(CC3CCN(S(C)(=O)=O)CC3)cn2)ccn1,OGWZMGKTMQTMJN-UHFFFAOYSA-N
-rxn:4:214706:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cnc(CC2CCCN(S(C)(=O)=O)C2)cn1,QIFPGYFWEIMANV-UHFFFAOYSA-N
-rxn:4:214707:222935,CN(C)S(=O)(=O)NCc1ccc(-c2cnn(C3CCN(S(=O)(=O)C4CC4)CC3)c2)cc1,ANIXZLXNRABLEU-UHFFFAOYSA-N
-rxn:4:214731:222847,N#Cc1cc(-c2cccnc2N2CCN(S(=O)(=O)C3CC3)CC2)cc(C2CCCNC2)c1,ILQITFWVWXTTLC-UHFFFAOYSA-N
-rxn:4:214745:224247,CC1CCN(C(=O)c2ccc(-c3ccc(C#N)c(N4CCC(N(C)C)CC4)c3)c(F)c2)CC1,MRZLGYSOBWSBJN-UHFFFAOYSA-N
-rxn:4:214747:224193,CCN1CCN(Cc2cc(-c3cccc(C#N)c3N3CCC(N(C)C)CC3)ccc2F)CC1,UMLAYRDEDDSLMO-UHFFFAOYSA-N
-rxn:4:214752:222622,CCC(C)c1cc(-c2nc(C(=O)N3CCN(C(C)C)CC3)ccc2F)cc(C2CCCNC2)n1,WKIPMXLYSYETFX-UHFFFAOYSA-N
-rxn:4:214753:222950,CONS(=O)(=O)c1cc(-c2cnc(C(=O)N3CCN(C(C)C)CC3)c(Cl)c2)ccc1OC,REIRPEKYYJLJMF-UHFFFAOYSA-N
-rxn:4:214772:224325,CS(=O)(=O)N1CC=C(c2ccc(-c3cnc(CC4CCCN(S(C)(=O)=O)CC4)cn3)cc2)CC1,CUXFCCDWLRKZMQ-UHFFFAOYSA-N
-rxn:4:214778:225190,COc1cc(N2CCOCC2)ccc1-c1cnc(N2CCN(C(C)C)CC2)cc1C(F)(F)F,QWYNMHINNROGGC-UHFFFAOYSA-N
-rxn:4:214802:222580,O=C(C1CN(c2ncccc2-c2ccc(S(=O)(=O)NC3CC3)c3ccccc23)CCO1)N1CCCC1,GOGCLPFQAFVHLE-UHFFFAOYSA-N
-rxn:4:214820:225550,CCCCC(=O)c1ccc(-c2cnc(N3CCOC(C(=O)N4CCCC4)C3)c(F)c2)cc1F,JALCEHFGZAHJOD-UHFFFAOYSA-N
-rxn:4:214821:225056,CC1CCCN(c2ccc(-c3cnc(N4CCCN(S(=O)(=O)C5CC5)CC4)c(F)c3)c(F)c2)C1,VNEINIDILBGMRG-UHFFFAOYSA-N
-rxn:4:214835:227252,CCCOc1cc(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCOCC3)C2)ccc1Cl,MNPCXYATRDCVRF-UHFFFAOYSA-N
-rxn:4:214838:222586,O=C(NCCc1ccc(F)cc1)c1ccc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)c(F)c2)s1,OHWPYWISAOAEHR-UHFFFAOYSA-N
-rxn:4:214839:227212,CCCCOc1ncccc1-c1cnc(N2CCOC(C(=O)N3CCSCC3)C2)c(F)c1,WRZATAKARCCBHG-UHFFFAOYSA-N
-rxn:4:214851:225542,CCCCCc1ccc(-c2cncc(C(=O)N3CCCN(C4CCC4)CC3)c2)c(F)c1F,VPXVYDHUHLZKDB-UHFFFAOYSA-N
-rxn:4:214862:226514,CCc1cnc(C(=O)OC)cc1-c1cncc(C(=O)N2CCCN(C3CCSC3)CC2)c1,RHYXTRRCXNPAOA-UHFFFAOYSA-N
-rxn:4:214870:223241,O=C(C1CCCN(c2ncc(Cl)cc2-c2cncc(C3CCNC3)c2)C1)N1CCOCC1,LNOAPHZLRANOHL-UHFFFAOYSA-N
-rxn:4:214872:226232,CN(C)CCOc1cccc(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCCCC3)C2)c1,NNNQDMPOGSOJRH-UHFFFAOYSA-N
-rxn:4:214875:222893,CCOC(=O)c1n[nH]c2cc(-c3cnc(N4CCCC(C(=O)N5CCSCC5)C4)c(F)c3)ccc12,BGNAMCIPPBKHNG-UHFFFAOYSA-N
-rxn:4:214880:227218,Cc1cc(-c2ccccc2OCCCF)cnc1N1CCOC(C(=O)N2CCOCC2)C1,PLGGXILKUYJOBM-UHFFFAOYSA-N
-rxn:4:214890:225600,O=C(c1cncc(-c2cccnc2OC2CCCCC2)c1)N1CCCN(C2CCSCC2)CC1,YUMAXLLTMMXCSE-UHFFFAOYSA-N
-rxn:4:214897:225289,CC(C)Oc1ccc(C(F)(F)F)cc1-c1ccc(N2C(=O)CC(N3CCN(c4ccccc4)CC3)C2=O)cc1,MONXWFGEADHZHM-UHFFFAOYSA-N
-rxn:4:214995:222605,CCOC(=O)C1CCc2c(-c3cc(S(=O)(=O)NC4CCCC4)ccc3OC)nnn2C1,KQWSXWRQRVCKDF-UHFFFAOYSA-N
-rxn:4:215056:224668,CCN1CCN(c2cc(F)cc(-c3ccc(CSC4=NN5CCCC(=O)N=C5S4)cc3)c2)CC1,ZXBOZTSERJZIKC-UHFFFAOYSA-N
-rxn:4:215066:223948,COC(=O)c1cc(C(=O)OC(C)(C)C)cc(-c2cnn3c2N(C(=O)OC(C)(C)C)CCC3)c1,LJQHXSDKUFXQOM-UHFFFAOYSA-N
-rxn:4:215106:223582,COC(=O)c1ccc2cc(-c3c(C)nn4c3CN(C(=O)OC(C)(C)C)CC4)n(C(=O)OC(C)(C)C)c2c1,ZIOKSUMMBDWOIW-UHFFFAOYSA-N
-rxn:4:215189:224740,CN(C(C)(C)C)S(=O)(=O)c1cccc(-c2ccc3nc(N4CCN(C(=O)C(C)(C)C)CC4)sc3c2)c1,DZVLVIYQBJYVHY-UHFFFAOYSA-N
-rxn:4:215195:224780,O=C(c1cc2n(n1)CC(c1ccc(-c3ccc(C4CCOC4)c(C(F)(F)F)c3)cc1)OC2)N1CCOCC1,ZDTOIWLKMUDGSX-UHFFFAOYSA-N
-rxn:4:215219:225257,CCOC(=O)COc1cc(F)cc(-c2ccc3ccc(N4CCOC(C(=O)N5CCOCC5)C4)nc3c2)c1,SKEAYQSKHKMGFQ-UHFFFAOYSA-N
-rxn:4:215288:225529,CCN(CC)Cc1ccc(-c2ccc(N3C(=O)CC(N4CCc5c([nH]c6ccc(OC)cc56)C4)C3=O)cc2)cc1F,RWYOEIPEIFGJSU-UHFFFAOYSA-N
-rxn:4:215295:224329,CC(C)(C)OC(=O)N1CCC2(CC1)c1ccccc1CCn1c(-c3ccc(C(=O)N4CCC(=O)CC4)c(F)c3)cnc12,HPOYRDDAYYXCCP-UHFFFAOYSA-N
-rxn:4:215298:222999,CC(C)CC(=O)N1CCc2c([nH]c3ccccc23)C12C(=O)N(C)c1ccc(-c3cc(Cl)cc(C4CCCNC4)c3)cc12,RUBBHZNIVPSAIO-UHFFFAOYSA-N
-rxn:4:215303:223645,CCCN1CCC2(CC1)Oc1ccc(-c3cccc(C(=O)N4CCCC(C(=O)OCC)C4)c3)cc1C1CC(c3ccc4ccccc4c3)=NN12,HLEOCHJVMLJKSF-UHFFFAOYSA-N
-rxn:4:215509:223594,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)cc(-c3ccc(N4CC(C#N)C4)nc3)c2)CC1,BZTWZKULRNQOLL-UHFFFAOYSA-N
-rxn:4:215772:223594,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)cc(-c3cncc(N4CCC(C#N)CC4)c3)c2)CC1,DOEIARURWJGWGC-UHFFFAOYSA-N
-rxn:4:215772:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cncc(N4CCC(C#N)CC4)c3)c2Cl)CC1,SWEYPJDFCOVSEA-UHFFFAOYSA-N
-rxn:4:215824:223842,COC1CCN(c2ncc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCC(C)CC3)cn2)CC1,HDCMIVUHJWXGFV-UHFFFAOYSA-N
-rxn:4:215849:224247,CC1CCN(C(=O)c2ccc(-c3cn(C)nc3CN3CCC(F)(F)CC3)c(F)c2)CC1,AFIBNUKERMOSDS-UHFFFAOYSA-N
-rxn:4:215861:223521,CC(c1cccc(-c2cnc(Cl)c(C(=O)N3CCN(C)CC3)c2)c1)N1CCN(C(=O)OC(C)(C)C)CC1,CEKVFVWYPGBBCB-UHFFFAOYSA-N
-rxn:4:215897:224780,Cc1nn(S(=O)(=O)N2CCOCC2)c(C)c1-c1ccc(C2CCOC2)c(C(F)(F)F)c1,MDBKINJBXRDQLL-UHFFFAOYSA-N
-rxn:4:215900:223994,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1ccc(S(=O)(=O)N2CCN(C)CC2)cn1,XWJCQSGEMKLCTA-UHFFFAOYSA-N
-rxn:4:215911:224267,CN1CCN(c2cc(-c3cccc(N4CCC5(CC4)OCCO5)c3)c(F)cc2[N+](=O)[O-])CC1,XEYQFAPMHWETJQ-UHFFFAOYSA-N
-rxn:4:215945:223840,COc1ccc(-c2cc(N3CCC(N(C)C)CC3)ccn2)cc1S(=O)(=O)N1CCN(C)CC1,XWRDGSQBOVNWQG-UHFFFAOYSA-N
-rxn:4:215953:223993,Cc1cc(-c2ccc(N3CCC(N(C)C)CC3)nc2)ccc1S(=O)(=O)N1CCN(C)CC1,WXMNDVRFBOKKIP-UHFFFAOYSA-N
-rxn:4:215957:223834,Cc1cc(-c2cccnc2N2CCC(N(C)C)CC2)cc(C)c1S(=O)(=O)N1CCN(C)CC1,VHVXYLNPQOTZQV-UHFFFAOYSA-N
-rxn:4:215960:224392,Cc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1cc([N+](=O)[O-])c(C)cc1N1CCN(C)CC1,AHCHXHYXRRXERL-UHFFFAOYSA-N
-rxn:4:215970:224596,COc1cc(N2CCCCC2C)ccc1-c1cnc(SC)nc1N1CCC2(CC1)OCCO2,YGSKHWDQPPWROH-UHFFFAOYSA-N
-rxn:4:216263:223528,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3ccc4nc(N5CCCC5)nc(-c5ccccc5)c4c3)ccc2F)CC1,ODSBURABLVLUGJ-UHFFFAOYSA-N
-rxn:4:216354:224421,CC(=O)N1CCC2(CC1)Oc1ccc(-c3c(C(C)C)cc(C(C)C)cc3C(C)C)cc1C1CC(c3ccccc3)=NN12,RYDIQDWJPRXYDM-UHFFFAOYSA-N
-rxn:4:217040:223498,CC(C)(C)OC(=O)N1CCCN(C(=O)c2ccc(-c3c[nH]c(N4CCOCC4)n3)cc2)CC1,SQOFHFQQRKDTPS-UHFFFAOYSA-N
-rxn:4:217154:223491,Cc1nnc(-c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)cc(C(F)(F)F)c2)n1C1CCCCC1,LXJSHVSMLJLTSG-UHFFFAOYSA-N
-rxn:4:217848:223695,O=S(=O)(c1cccc(-c2nn(C3CCCCO3)c3c(Cl)ccnc23)c1)N1CCC2(CC1)OCCO2,ZHASYBMNKSHEIK-UHFFFAOYSA-N
-rxn:4:217860:223902,CC1CCN(CCOc2ccc(-c3cc4n(n3)CC(=O)N(C(C)C)CC4)cc2F)CC1,RVWPKEPJVFRZDK-UHFFFAOYSA-N
-rxn:4:217907:226832,CN1CCC2(CC1)Oc1ccc(-c3cccnc3OCC(F)(F)F)cc1C1CC(c3ccc(Cl)cc3)=NN12,SWSRZINMUHNBPA-UHFFFAOYSA-N
-rxn:4:218569:222629,COCc1cn(C2CCN(C(=O)Cc3ccc(-c4cc(C5CCCNC5)nc(C(C)(C)C)c4)cc3)C2)nn1,CAOJHAVRHDDLFA-UHFFFAOYSA-N
-rxn:4:218589:222778,CC(C)(C)OC(=O)NCc1cncc(-c2cnc(OCC3CCCN(S(=O)(=O)c4ccc(C#N)cc4)C3)nc2)c1,RZSNCIQMJDTLHS-UHFFFAOYSA-N
-rxn:4:218607:222429,COc1ccc(C(=O)N2CCCC(COc3ncc(-c4ccc(CNC(=O)c5ccc(F)cc5C(F)(F)F)cc4)cn3)C2)cn1,VJLXZWSOGNCGPI-UHFFFAOYSA-N
-rxn:4:218618:224395,COc1ccc(CCC(=O)N2CCC(n3ccnn3)CC2)cc1-c1cc(N2CCOCC2)cc(C(F)(F)F)c1,WYSCSMFQGMBQST-UHFFFAOYSA-N
-rxn:4:218668:225080,COC(=O)C1CCc2cc(-c3cccnc3OC3CCN(C(=O)CN4CCN(c5ccccc5)C4=O)C3)ccc2O1,JXMXAYUDNDNKEX-UHFFFAOYSA-N
-rxn:4:218765:223498,Cn1c(SCC(=O)c2ccc(-c3ccc(C(=O)N4CCCN(C(=O)OC(C)(C)C)CC4)cc3)cc2)nc2c1c(=O)n(Cc1ccccc1)c(=O)n2C,GDWXTNYCURBUSK-UHFFFAOYSA-N
-rxn:4:218785:222402,CCCNC(=O)Nc1ccc(-c2ccc3c(c2)-c2nnc(SCC)nc2OC(c2ccc(OC)c(OC)c2)N3C(C)=O)cc1,YRGZZLMTSCAAOG-UHFFFAOYSA-N
-rxn:4:218785:224971,CCSc1nnc2c(n1)OC(c1ccc(OC)c(OC)c1)N(C(C)=O)c1ccc(-c3ccc(CN4CCN(C)CC4)cc3)cc1-2,OAOKYQVSSPNXFW-UHFFFAOYSA-N
-rxn:4:218786:225281,CC(C)(C)OC(=O)c1cc(-c2cccc3c4c([nH]c23)CCN(C(=O)CCC(=O)N2CCN(S(C)(=O)=O)CC2)C4)cc(Cl)n1,JEAICENPSUAWER-UHFFFAOYSA-N
-rxn:4:218802:223683,CC(C)(C)OC(=O)Cn1nnc(-c2cccc(-c3cnc(OC4CCN(C(=O)OC(C)(C)C)C4)nc3)c2)n1,LDNGEXIPZCGTKV-UHFFFAOYSA-N
-rxn:4:218814:222584,CC(C)(C)OC(=O)Cn1nnn(-c2cccc(-c3ccc(OCCCN4CCNCC4)c(F)c3)c2)c1=O,GIALIJZWWZLQJR-UHFFFAOYSA-N
-rxn:4:218824:224597,CN(CC1CN(c2ncc(-c3cc(C4CC4)cc(N4CCOCC4)c3)cn2)C1)S(=O)(=O)C1CC1,LAKMOGLOEVNEQQ-UHFFFAOYSA-N
-rxn:4:218867:225798,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3ccc(OC4CCOCC4)nc3)c2)no1,IIKRYWJYVSHANR-UHFFFAOYSA-N
-rxn:4:218867:226366,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3ccnc(N4CCCCC4)c3)c2)no1,LFUFYAWWCIPQFU-UHFFFAOYSA-N
-rxn:4:218868:226069,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3cccc(C4CCCCC4)c3)cc2)no1,COTHIWOVDHNDAJ-UHFFFAOYSA-N
-rxn:4:218885:223787,Cc1ncsc1C(=O)N1CCC(COc2ncc(-c3ccc(OCCCN4CCN(C)CC4)c(F)c3)cn2)CC1,HPUQBZRDNFKMMS-UHFFFAOYSA-N
-rxn:4:218888:224777,Cc1oncc1C(=O)N1CCCC(COc2ncc(-c3cnc(C4CCCC4)c(C(F)(F)F)c3)cn2)C1,UBIPYECWUDSQHU-UHFFFAOYSA-N
-rxn:4:218945:226792,CC(C)(C)OC(=O)N1CCN(c2c(-c3cnc(N4CCOCC4)nc3)cncc2[N+](=O)[O-])CC1,FUIGNKILPOPSLC-UHFFFAOYSA-N
-rxn:4:218968:222921,Cc1cc(S(=O)(=O)NC(C)C)ccc1-c1cncc(C(=O)N2CCCC(Cc3nc(C4CC4)no3)C2)c1,ZXMLVABZQXMVHD-UHFFFAOYSA-N
-rxn:4:218977:224367,CC(C)COc1cc(-c2cnn(CC3CN(C(=O)c4ccc(N5C(=O)CCC5=O)cc4)C3)c2)ccc1OC(F)(F)F,NDFHLFQWFDBVNV-UHFFFAOYSA-N
-rxn:4:218991:222426,Cn1cc(-c2ccc3c(c2)C2(CCN(C(=O)OC(C)(C)C)CC2)C(=O)N3)c(CN2CCN(C(=O)OC(C)(C)C)CC2)n1,YPCCCJDYSCWUTI-UHFFFAOYSA-N
-rxn:4:218992:224298,CS(=O)(=O)N1CCC(C(=O)N2CC(Cn3cc(-c4ccc(Sc5ccc([N+](=O)[O-])cc5)cc4)cn3)C2)CC1,DVICPXLKJOYJMB-UHFFFAOYSA-N
-rxn:4:218993:224592,Cc1nc(C)c(CN2CCC(COc3ncc(-c4cc(C5(C#N)CCCCC5)ccc4F)cn3)CC2)s1,YYGUCVPPIPTSOT-UHFFFAOYSA-N
-rxn:4:218994:224462,Cc1nc(C)c(CN2CCCC(COc3ncc(-c4ccc(C5CCN(C6CC6)CC5)cc4)cn3)C2)s1,RMOTTZOENFXGHA-UHFFFAOYSA-N
-rxn:4:218999:225613,C[C@H]1CN(C(=O)OC(C)(C)C)CCN1c1ncc(-c2ccnc(OC3CCCCC3)c2)cc1C#N,AUUQRAWTRNXRPP-IBGZPJMESA-N
-rxn:4:219053:222889,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cncc(-c4cc(F)cc(CN5CCNCC5)c4)c3)cn2)CC1,SCUUENOOXVWDPF-UHFFFAOYSA-N
-rxn:4:219053:224290,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cncc(-c4ccc(Cl)cc4OCCN4CCOCC4)c3)cn2)CC1,NCYKYHFMHKRMTP-UHFFFAOYSA-N
-rxn:4:219061:228974,CS(=O)(=O)N1CCC(C(=O)N2CCCC(Oc3ncc(-c4cnn(S(C)(=O)=O)c4)cn3)C2)CC1,NOISABFXFDIQHE-UHFFFAOYSA-N
-rxn:4:219071:222700,Cc1ccc(-c2cc(C(=O)N3CCN(S(=O)(=O)c4ccc(-c5ccc(C(F)(F)F)cc5C5CCCNC5)cc4)CC3)n[nH]2)cc1,BLOUQSPMPKQXIQ-UHFFFAOYSA-N
-rxn:4:219107:225979,CCC(=O)C1=C(c2ccc(-c3cnc(N4CCOCC4)c(Cl)c3)cc2)N(C(=O)CC)n2c(C)nnc2S1,QOKQYOHHJXPFMY-UHFFFAOYSA-N
-rxn:4:219120:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cncc(C(=O)N4CC5CCCC5(COc5ncc(F)cn5)C4)c3)c2Cl)CC1,CKMLCEMHKSROPE-UHFFFAOYSA-N
-rxn:4:219125:225344,CC(C)Oc1ncc(C(F)(F)F)cc1-c1ccccc1CCC(=O)N1C2CCC1CC(n1nccn1)C2,PWVIFGGJUQLVTM-UHFFFAOYSA-N
-rxn:4:219128:222870,CC(C)CNC(=O)c1cc(F)cc(-c2cnc(OCC3CCN(Cc4nc5c(s4)CCC5)CC3)nc2)c1,IYVACZMZFJYDPU-UHFFFAOYSA-N
-rxn:4:219239:223728,CCCCCC1CCC(c2ccc(-c3cncc(C(=O)N4CCC(Oc5cnsn5)C4)c3)c(F)c2)CC1,RGPRKNWNYLFKIX-UHFFFAOYSA-N
-rxn:4:219265:223480,Cc1cc(-c2ccc(CSc3nnc(C(C)C)n3N)cc2)cc(C)c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,PYNCRTJYVQUSDL-UHFFFAOYSA-N
-rxn:4:219371:223884,CC(C)(C)OC(=O)N1CCC(n2cnnc2-c2ccc3c(c2)CCN(C(=O)OC(C)(C)C)C3)CC1,AEBSCEVHZYIIDH-UHFFFAOYSA-N
-rxn:4:219383:223904,CC(C)(C)OC(=O)N1CC(c2cccc(-c3cnc(OCC4CCCN(c5ccncc5Cl)C4)nc3)c2)C1,MQAMKCDJOVNXFZ-UHFFFAOYSA-N
-rxn:4:219384:223904,CC(C)(C)OC(=O)N1CC(c2cccc(-c3cnc(N4CCC(COc5ccncc5Cl)CC4)nc3)c2)C1,BOMMNJQTWMPWHF-UHFFFAOYSA-N
-rxn:4:219405:222634,CC(C)(C)OC(=O)N1CCN(c2ccnc(-c3ccc(OCCNC4CCCC4)c(F)c3)n2)CC1,ZWESTOKFAFAHMJ-UHFFFAOYSA-N
-rxn:4:219414:222546,N#Cc1cc(-c2ccc(OCCNC3CCCCC3)c(F)c2)cnc1N1CCOC(C(=O)N2CCCC2)C1,ZNFVBDSNWPENBW-UHFFFAOYSA-N
-rxn:4:219414:224672,CCN1CCN(c2ccc(-c3cnc(N4CCOC(C(=O)N5CCCC5)C4)c(C#N)c3)c(Cl)c2)CC1,WHYYYJILUCUCCJ-UHFFFAOYSA-N
-rxn:4:219433:223506,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cccc(-c3ccc(C(=O)N4CCN(c5ccc(C6CC6)nn5)CC4)o3)c2)CC1,AYBGEHITDILJOJ-UHFFFAOYSA-N
-rxn:4:219436:228361,CN(C)c1cc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)c(C#N)c2)c(F)cn1,MCBOZFIEXJSUTP-UHFFFAOYSA-N
-rxn:4:219452:226728,Cc1nc(-c2ccc(OCC(F)F)cc2F)n(C2CCN(C(=O)OC(C)(C)C)CC2)n1,CUJDYGJSBSHPRV-UHFFFAOYSA-N
-rxn:4:219454:225769,Cc1c(-c2cc(OCC3CC3)c(F)cc2F)nnn1C1CCN(C(=O)OC(C)(C)C)CC1,OASNRGSMVUOFGJ-UHFFFAOYSA-N
-rxn:4:219464:223501,Cc1cccnc1OCC1CCN(c2ncc(-c3ccc(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c(Cl)c3)cn2)CC1,OFKTXHSSOMRPOD-UHFFFAOYSA-N
-rxn:4:219464:223527,Cc1cccnc1OCC1CCN(c2ncc(-c3ccc(F)cc3CN3CCN(C(=O)OC(C)(C)C)CC3)cn2)CC1,KRBRKWOSZDKTBU-UHFFFAOYSA-N
-rxn:4:219473:226236,CCCCOc1ncc(C)cc1-c1cnc(N2CCOC(C(=O)N3CCCC3)C2)nc1OC,UZNKEJDACVTBPE-UHFFFAOYSA-N
-rxn:4:219500:225160,N#Cc1cc(-c2ccc(Cl)c(C(=O)N3CCCC3)c2)cnc1N1CCCC(C(=O)N2CCSCC2)C1,LDHJJKRXKPKZRU-UHFFFAOYSA-N
-rxn:4:219521:225379,Cn1nc(C2CCN(C(=O)c3ccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)o3)CC2)n(C2CC2)c1=O,OICGPKQFIUGAFB-UHFFFAOYSA-N
-rxn:4:219530:224796,CC(C)(C)COS(=O)(=O)c1cncc(-c2cnc(OC3CCN(C4CCN(C5CC5)C4=O)CC3)nc2)c1,OLKSNYRYROUEIA-UHFFFAOYSA-N
-rxn:4:219530:225752,COC(=O)c1cnc(C(C)C)c(-c2cnc(OC3CCN(C4CCN(C5CC5)C4=O)CC3)nc2)c1,KSDRCIWASKGPJT-UHFFFAOYSA-N
-rxn:4:219531:223038,CSc1ncc(-c2ccc(Cl)c(C(=O)NC(C)C)c2)c(N2CCOC(C(=O)N3CCCCC3)C2)n1,OEQLMLVOUBKOOG-UHFFFAOYSA-N
-rxn:4:219538:225890,C[Si](C)(C)CCOCn1cc(-c2cnc(N3CCC(C(=O)N4CCC(F)(F)CC4)CC3)c(C#N)c2)cn1,NRYUFASZGRIOSZ-UHFFFAOYSA-N
-rxn:4:219565:226374,Cc1cc(C)c(C#N)c(N2CCCN(S(=O)(=O)c3ccc(-c4cncnc4C4CCCCC4)cc3)CC2)n1,MBLPAROYYPKLGM-UHFFFAOYSA-N
-rxn:4:219623:224598,COc1cc(N2CCC(C)CC2)ccc1-c1ccc(C(=O)N2CCN(S(=O)(=O)c3cccc4nsnc34)CC2)o1,WRAOOGKDQOOKAE-UHFFFAOYSA-N
-rxn:4:219624:224669,CN1CCN(Cc2ccc(-c3ccc(C(=O)N4CCN(S(=O)(=O)c5cccc6nonc56)CC4)o3)c(F)c2)CC1,HDDRAYSGTVJLNZ-UHFFFAOYSA-N
-rxn:4:219688:224718,CC(C)(C)OC(=O)N1CCC(c2nc3ccc(-c4ccc(OCCN5CCOCC5)nc4)cn3n2)CC1,NMTQFMKWQBTOBD-UHFFFAOYSA-N
-rxn:4:219689:223059,CC(C)(C)OC(=O)N1CCN(c2ccc3ncc(-c4ccc(N5CCNCC5)cc4Cl)n3c2)CC1,NFALNWXCYROKNG-UHFFFAOYSA-N
-rxn:4:219689:223065,CC(C)(C)OC(=O)N1CCN(c2ccc3ncc(-c4ccc(N5CCNCC5)cc4F)n3c2)CC1,TUMZVAVTQYHBLB-UHFFFAOYSA-N
-rxn:4:219689:223929,CC(C)(C)OC(=O)N1CCN(c2ccc3ncc(-c4cnc5c(c4)CCN(C(=O)OC(C)(C)C)C5)n3c2)CC1,FEBJSBOAGVIHCO-UHFFFAOYSA-N
-rxn:4:219690:225898,CC(C)(C)OC(=O)N1CCC(n2nnc3cc(F)c(-c4cnn(CCN5CCOCC5)c4)cc32)CC1,JONUNPARKGNKDK-UHFFFAOYSA-N
-rxn:4:219692:224718,CC(C)(C)OC(=O)N1CCC(n2cc(-c3ccc(OCCN4CCOCC4)nc3)c3cnc(Cl)nc32)CC1,WQSNWFPSMPORNN-UHFFFAOYSA-N
-rxn:4:219704:223059,CC(C)(C)OC(=O)N1CCN(c2cnc3ccc(-c4ccc(N5CCNCC5)cc4Cl)cc3n2)CC1,UGDSVUKSAVXIQG-UHFFFAOYSA-N
-rxn:4:219704:223065,CC(C)(C)OC(=O)N1CCN(c2cnc3ccc(-c4ccc(N5CCNCC5)cc4F)cc3n2)CC1,KBKADUMIRFIDBY-UHFFFAOYSA-N
-rxn:4:219706:223065,CC(C)(C)OC(=O)N1CCN(c2ncnc3cc(-c4ccc(N5CCNCC5)cc4F)c(Cl)cc23)CC1,LWFYCZYGZMKSPW-UHFFFAOYSA-N
-rxn:4:219707:224718,CC(C)(C)OC(=O)N1CCN(c2ncnc3c(F)c(-c4ccc(OCCN5CCOCC5)nc4)c(Cl)cc23)CC1,DIHIZBXPEVXKQS-UHFFFAOYSA-N
-rxn:4:219750:225295,COc1ccc(-c2ccccc2S(=O)(=O)N2CCCC2)c(C(=O)N2CCCc3cnc(N4CCOCC4)nc32)c1,NAXAAKMWPFJXKQ-UHFFFAOYSA-N
-rxn:4:219750:225984,COc1ccc(-c2cnc(Cl)c(N3CCOCC3)c2)c(C(=O)N2CCCc3cnc(N4CCOCC4)nc32)c1,OMWMVJKPOJZZLP-UHFFFAOYSA-N
-rxn:4:219758:222859,CN(C)CCNC(=O)c1ccc(-c2ccccc2CC(=O)N2CCN(c3cc4c(nn3)CCCC4)CC2)cc1,IJOXNYQAUAIXBL-UHFFFAOYSA-N
-rxn:4:219766:226505,CC(C)COc1ncc(-c2cncc(C(=O)N3CCC(Cn4nc5c(cc4=O)CCCC5)CC3)c2)cc1Cl,BEYWMRFDLMQXDN-UHFFFAOYSA-N
-rxn:4:219824:223592,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc(C(=O)N4CC(n5ccnn5)C4)o3)c(Cl)c2)CC1,GKPFXXXNGUJMKL-UHFFFAOYSA-N
-rxn:4:219843:223594,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)cc(-c3cnn(CC4CN(c5ccncc5Cl)C4)c3)c2)CC1,BUIBCWZUVAGNRG-UHFFFAOYSA-N
-rxn:4:219843:223596,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)ccc2-c2cnn(CC3CN(c4ccncc4Cl)C3)c2)CC1,OSRGGCXOGZIDSO-UHFFFAOYSA-N
-rxn:4:219845:223637,CC(C)(C)OC(=O)N1CCCC(c2ccccc2-c2cnn(CC3CN(c4ncc(Cl)cc4F)C3)c2)C1,FBUCGSROEFQKHU-UHFFFAOYSA-N
-rxn:4:219845:223638,CC(C)(C)OC(=O)N1CCCC(c2cccc(-c3cnn(CC4CN(c5ncc(Cl)cc5F)C4)c3)c2)C1,ZAKDKBNIHWZJOF-UHFFFAOYSA-N
-rxn:4:219861:223669,Cc1c(C(=O)N2CC(n3nccn3)C2)cccc1-c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1,WZZKSSDXZBJRNS-UHFFFAOYSA-N
-rxn:4:219877:223592,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccccc3CN3CCN(c4cnsn4)CC3)c(Cl)c2)CC1,COEVOKOFYJJCAO-UHFFFAOYSA-N
-rxn:4:219879:223594,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)cc(-c3cccc(CN4CCN(c5cnsn5)CC4)c3)c2)CC1,YJJOORGLQVMCRF-UHFFFAOYSA-N
-rxn:4:219896:223592,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cccc(C(=O)N4CCC(n5nccn5)CC4)c3)c(Cl)c2)CC1,CSAGWWWUMIVKCX-UHFFFAOYSA-N
-rxn:4:219896:223594,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)cc(-c3cccc(C(=O)N4CCC(n5nccn5)CC4)c3)c2)CC1,PLLFLLSOMFTMSQ-UHFFFAOYSA-N
-rxn:4:219896:223596,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)ccc2-c2cccc(C(=O)N3CCC(n4nccn4)CC3)c2)CC1,YKTLVSLNMATSBN-UHFFFAOYSA-N
-rxn:4:219937:222395,Cn1cnc(S(=O)(=O)N2CCOC(c3cccc(-c4cccc(C(=O)NC5CCC(O)CC5)c4)n3)C2)c1,KAFOSGDABPAOTI-UHFFFAOYSA-N
-rxn:4:219955:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2cnc(N3CCOC(C(=O)N4CCSCC4)C3)nc2)CC1,OCKPIIHVGLOODZ-UHFFFAOYSA-N
-rxn:4:220118:223670,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2ccc3nc(OC4CCN(c5ncc(F)cn5)CC4)sc3c2)CC1,CMCMCQLGTREONV-UHFFFAOYSA-N
-rxn:4:220136:222817,COc1ccc(S(=O)(=O)NC2CC2)cc1-c1ccc2ncnc(N3CCN(S(=O)(=O)C4CC4)CC3)c2c1,LHTQAWKGRJFNSW-UHFFFAOYSA-N
-rxn:4:220421:223636,CC(C)(C)OC(=O)N1CCCC(c2ccc(-c3cnc(N4CCN(c5cccc(Cl)c5)CC4)nc3)cc2)C1,ALIIMZLQKQZVBX-UHFFFAOYSA-N
-rxn:4:220422:223636,CC(C)(C)OC(=O)N1CCCC(c2ccc(-c3cnc(N4CCN(c5ccc(Cl)cc5)CC4)nc3)cc2)C1,BJZNKAJRWDUOBM-UHFFFAOYSA-N
-rxn:4:220533:224880,c1ccc(-c2cnc(N3CC(N4CC5CCCC5C4)C3)nc2)c(CN2CCCCCC2)c1,KDZBLTIQNLAHJY-UHFFFAOYSA-N
-rxn:4:220788:223532,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)cc(-c3cnc(N4CCOCC4)nn3)c2)CC1,ORISPSGKIINPOI-UHFFFAOYSA-N
-rxn:4:220935:223529,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cnc4ccc(N5CCOCC5)nn34)cc2F)CC1,XIONZMILIOBOLB-UHFFFAOYSA-N
-rxn:4:221107:225313,Cc1ncn(CC(=O)N2CCCC(COc3ncc(-c4ccc(N5CCN(C)CC5)nc4F)cn3)C2)c(=O)c1C,DJKVJUVOUIWNRC-UHFFFAOYSA-N
-rxn:4:221114:227625,CCOc1ccc(-c2cnc(C3CCCO3)nc2)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N3CCCC3)n2)CC1,QBPPHVKBZVYJQR-UHFFFAOYSA-N
-rxn:4:221117:224757,O=C(c1cc(Cl)cc(-c2ccc3nc(N(CCN4CCOCC4)C(=O)c4cnccn4)sc3c2)c1)N1CCOCC1,DSNXUXORZXJUKW-UHFFFAOYSA-N
-rxn:4:221117:224759,O=C(c1cc(F)cc(-c2ccc3nc(N(CCN4CCOCC4)C(=O)c4cnccn4)sc3c2)c1)N1CCOCC1,FEEWNVQKLNLNTR-UHFFFAOYSA-N
-rxn:4:221143:223577,CC(C)c1noc(CN2CC(Cn3cc(-c4ccc(OC5CCN(C(=O)OC(C)(C)C)CC5)cc4)cn3)C2)n1,QJIXWZSMUKNJBD-UHFFFAOYSA-N
-rxn:4:221163:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(OC)cc3C(=O)N3CC(c4nc(-c5ncccn5)no4)C3)c(F)c2)CC1,MBRZTDISXPVXQT-YHBQERECSA-N
-rxn:4:221175:224101,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4cccc(OCCN5CCC(C)CC5)c4)cn3)C2)C(=O)C1=O,PTYBOKQQZBTPAT-UHFFFAOYSA-N
-rxn:4:221175:224460,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4cc(C5CC5)cc(N5CCCCC5)c4)cn3)C2)C(=O)C1=O,KSMQLCVPUKLQIR-UHFFFAOYSA-N
-rxn:4:221175:224725,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4ccc(C)c(S(=O)(=O)N(CC)CC)c4)cn3)C2)C(=O)C1=O,BLSYYHGSNOSTAX-UHFFFAOYSA-N
-rxn:4:221175:225869,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4ccc(N5CCOCC5)c(Cl)c4)cn3)C2)C(=O)C1=O,GMOHBMSONJSDAT-UHFFFAOYSA-N
-rxn:4:221179:223953,COCCN1CCN(c2cc(F)cc(-c3cnc(OCC4CCCN(c5ccnc(C6CC6)n5)C4)nc3)c2)CC1,UKBLEWWSZZMKQV-UHFFFAOYSA-N
-rxn:4:221191:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3cnc(OCC4CCCN(c5cc(C)nc(C6CC6)n5)C4)nc3)cc2)CC1,ZDUKCMIJLWFJLO-UHFFFAOYSA-N
-rxn:4:221193:224759,CN1CCN(C(=O)N2CCCC(COc3ncc(-c4cc(F)cc(C(=O)N5CCOCC5)c4)cn3)C2)CC1,HRVCIZWCKFLJBS-UHFFFAOYSA-N
-rxn:4:221193:227917,CCc1ccc(OC)c(-c2cnc(OCC3CCCN(C(=O)N4CCN(C)CC4)C3)nc2)c1,GQOYYNKFNAORGL-UHFFFAOYSA-N
-rxn:4:221194:225359,COc1cc(-c2cnc(OC3CCN(S(=O)(=O)c4cn(C)c(C(C)C)n4)CC3)nc2)c(C(F)(F)F)cc1OC,ITULGERGDJHBAH-UHFFFAOYSA-N
-rxn:4:221205:226545,CCCOc1c(Cl)ccc(-c2ccc(CCN3CCN(c4ccnc(N5CCOCC5)n4)CC3)cc2)c1F,GMGKLTCVBLMROA-UHFFFAOYSA-N
-rxn:4:221230:224647,CC(C)(C)[Si](C)(C)Oc1ccc(F)c(-c2cnc(OCC3CCCN(c4nc5c(cc4C#N)CCC5)C3)nc2)c1,BBBDGBJFZNYUTR-UHFFFAOYSA-N
-rxn:4:221232:225977,N#Cc1cc2c(nc1N1CCCC(COc3ncc(-c4cc(Cl)cnc4N4CCOCC4)cn3)C1)CCOC2,JCCMDNOQNZSSCD-UHFFFAOYSA-N
-rxn:4:221249:225188,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc4c(-c5ccc(Cl)c(CN6CCOCC6)c5)cnn4c3)cc2)CC1,WJGKOPAIYQCXQX-UHFFFAOYSA-N
-rxn:4:221263:223065,CCOC(=O)Cn1c(=O)c2c(nc3n2CCCN3c2ccc(-c3ccc(N4CCNCC4)cc3F)cc2)n(C)c1=O,DTTGSINXAILFTI-UHFFFAOYSA-N
-rxn:4:221267:222713,CCCCCn1c(=O)c2c(nc3n2CCCN3c2ccc(-c3cc(OC)ccc3S(=O)(=O)NC(C)(C)C)cc2)n(C)c1=O,NBVHPMQONNRFBX-UHFFFAOYSA-N
-rxn:4:221360:223997,Cc1cc(-c2cnc(OC3CCCN(S(=O)(=O)c4cn(C)cn4)C3)nc2)cc(C)c1S(=O)(=O)N1CCOCC1,UIOCVDONLXPYJZ-UHFFFAOYSA-N
-rxn:4:221380:224161,Cn1c(C(F)(F)F)nn(C2CCN(C(=O)c3cncc(-c4ccc5c(c4)CN(C(=O)OC(C)(C)C)C5)c3)CC2)c1=O,GQAQNZJWWJQKTF-UHFFFAOYSA-N
-rxn:4:221380:226237,CN(C)CCOc1ccccc1-c1cncc(C(=O)N2CCC(n3nc(C(F)(F)F)n(C)c3=O)CC2)c1,PHJCUEDVMZNNAF-UHFFFAOYSA-N
-rxn:4:221395:222638,CC(NC(=O)OC(C)(C)C)c1cccc(-c2cnc(N3CCC(Cn4cnc(C5CC5)cc4=O)CC3)nc2)c1,HFVLSFCRNALGNA-UHFFFAOYSA-N
-rxn:4:221395:223490,Cc1ccc(-c2cnc(N3CCC(Cn4cnc(C5CC5)cc4=O)CC3)nc2)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,LKEVVBMGGLABME-UHFFFAOYSA-N
-rxn:4:221418:223638,Cc1ccccc1-c1ccc(N2CCN(C(=O)c3cncc(-c4cccc(C5CCCN(C(=O)OC(C)(C)C)C5)c4)c3)CC2)nn1,WSVJMBZYIORHNE-UHFFFAOYSA-N
-rxn:4:221418:223812,Cc1ccccc1-c1ccc(N2CCN(C(=O)c3cncc(-c4cc(F)cc(CN5CCC6(CC5)OCCO6)c4)c3)CC2)nn1,LRDNPSYARFMZJU-UHFFFAOYSA-N
-rxn:4:221422:223585,COc1ccc(CN(C)S(=O)(=O)c2ccccc2-c2ccc(Cl)c(C(=O)N3CCN(c4ccc(N5CCOCC5)nn4)CC3)c2)cc1,XBZXKDFBEBARMU-UHFFFAOYSA-N
-rxn:4:221423:222783,CC(C)(C)OC(=O)Nc1cc(-c2ccccc2CN2CCN(c3ccc(N4CCOCC4)nn3)CC2)ccc1Cl,KBJCEZCYYAJBKZ-UHFFFAOYSA-N
-rxn:4:221441:223028,CCCNC(=O)c1ccc(F)c(-c2cccc(CN3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)c2)c1,GKBLSPBNXKLFMW-UHFFFAOYSA-N
-rxn:4:221448:223602,Cc1nc(N2CCOCC2)cc(N2CCN(Cc3ccc(-c4ccnc(N5CCN(C(=O)OC(C)(C)C)CC5)c4Cl)cc3)CC2)n1,WNQHNZSBVDXDJK-UHFFFAOYSA-N
-rxn:4:221449:223176,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccc(CNS(C)(=O)=O)c4)cc3)CC2)n1,LYWQBMLHOLRTEX-UHFFFAOYSA-N
-rxn:4:221449:224819,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(S(=O)(=O)N5CCOCC5)cc4)cc3)CC2)n1,VIYTUOINNCGJJH-UHFFFAOYSA-N
-rxn:4:221456:224343,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cncc(-c5cccc(C(F)(F)F)c5)c4)cc3)CC2)n1,SMCATYWVSGKELI-UHFFFAOYSA-N
-rxn:4:221528:224669,CC(C)c1sc(-c2ccc(CN3CCN(C)CC3)cc2F)nc1C(=O)N1CCN(c2nc3ccccc3n2C)CC1,FECJLDGUNBOVKF-UHFFFAOYSA-N
-rxn:4:221563:222777,CC(C)CCn1c(=O)c2c(nc3n2CCCN3c2ccc(-c3ccc(CN4CCC(O)CC4)c(Cl)c3)cc2)n(C)c1=O,FFXDUFGYUYRMEO-UHFFFAOYSA-N
-rxn:4:221614:224767,COCn1nc(-c2cccc(C(=O)N3CCOCC3)c2F)nc1N1CCCN(C)CC1,SVIVMIYEEIDEAY-UHFFFAOYSA-N
-rxn:4:221641:222723,O=c1ccc(C2CC2)nn1C1CCN(c2ncc(-c3cccc(NS(=O)(=O)N4CCOCC4)c3)cn2)CC1,ZLQFLXGORFMSFK-UHFFFAOYSA-N
-rxn:4:221730:223696,Cc1nc2cc(F)ccc2c(=O)n1CC1CCN(c2ncc(-c3ccc(S(=O)(=O)N4CCC5(CC4)OCCO5)cc3)cn2)CC1,VXLAINZZDULLNP-UHFFFAOYSA-N
-rxn:4:221780:224180,CN1CCN(CCOc2ccccc2-c2ccc(Cn3c(=O)c4c(nc5n4CCCN5C4CCCCC4)n(C)c3=O)cc2)CC1,JGBAVHXELCOCFK-UHFFFAOYSA-N
-rxn:4:221935:224285,N#Cc1nccnc1N1CCCC(COc2ncc(-c3ccc(OCCN4CCOCC4)cc3F)cn2)C1,QHRZCLSYKJVXBO-UHFFFAOYSA-N
-rxn:4:221949:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3cncc(C(=O)N4CCCC(Cc5nc(-c6cnccn6)no5)C4)c3)c2)CC1,CPHALCIIOOUJQT-UHFFFAOYSA-N
-rxn:4:221977:223929,CC(C)(C)OC(=O)N1CCc2cc(-c3cnc(OCC4CCCN(c5nccn6nc(C7CC7)cc56)C4)nc3)cnc2C1,UHICAUGRYUPCFF-UHFFFAOYSA-N
-rxn:4:221981:224485,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5cccc(-c6ccn([Si](C(C)C)(C(C)C)C(C)C)c6)c5)no4)C3C2=O)cc1,RGIIYSHMPBXBTQ-UHFFFAOYSA-N
-rxn:4:222031:223835,Cc1cc(F)c(-c2cc(C(F)(F)F)cnc2N2CCN(c3ccnc(N(C)C)n3)CC2)cc1S(=O)(=O)N1CCC(C)CC1,RFQSGPKBKBKNJU-UHFFFAOYSA-N
-rxn:4:222039:225052,CC1CCCCN1c1cc(F)cc(-c2ccc(-n3cnnn3)c(C(=O)N3CCN(C4CCS(=O)(=O)C4)CC3)c2)c1,RKTQHIGZRGPORX-UHFFFAOYSA-N
-rxn:4:222046:225295,CCc1c(C)nc(C2CC2)nc1N1CCN(c2ncc(-c3ccccc3S(=O)(=O)N3CCCC3)cn2)CC1,PGACBCLBIVOSLN-UHFFFAOYSA-N
-rxn:4:222054:223696,CN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(S(=O)(=O)N6CCC7(CC6)OCCO7)cc5)o4)CC3)nn2)CC1,PNQFEVYTPMSSIB-UHFFFAOYSA-N
-rxn:4:222108:223062,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cnc(C7CCNCC7)cc6F)cc5)no4)C3C2=O)cc1F,JMIWJWXXXFHTNY-UHFFFAOYSA-N
-rxn:4:222123:223538,O=C1C2N=NN(Cc3nc(-c4ccc(-c5ccnc6c5cc(C(F)F)n6S(=O)(=O)c5ccccc5)cc4)no3)C2C(=O)N1c1ccc2c(c1)CCC2,PLCYSCWBFVYTIU-UHFFFAOYSA-N
-rxn:4:222286:223754,CC1CCN(CCCOc2ccc(-c3ccccc3C(=O)N3CCN(c4cc(-n5cncn5)ncn4)CC3)cc2Cl)CC1,MZSCDKDMCWLYHI-UHFFFAOYSA-N
-rxn:4:222320:223748,CN(C)c1ccnc(N2CCN(c3ncc(-c4cc(N5CCCCC5)cc(N5CCCCC5)c4)cn3)CC2)n1,AVSNFABVUHYGQQ-UHFFFAOYSA-N
-rxn:4:222331:223835,Cc1cc(F)c(-c2cnc(N3CCN(c4nccc(N5CCOCC5)n4)CC3)nc2)cc1S(=O)(=O)N1CCC(C)CC1,JLSCUSSBOTZZSX-UHFFFAOYSA-N
-rxn:4:222334:225281,Cc1cc(N2CCCC2)nc(N2CCN(c3ncc(-c4cc(Cl)nc(C(=O)OC(C)(C)C)c4)cn3)CC2)n1,YEEWVVXVMZQSPC-UHFFFAOYSA-N
-rxn:4:222335:225312,Cc1cc(N2CCN(c3ncc(-c4cnc(N5CCCN(C)CC5)nc4)cn3)CC2)nc(N2CCCC2)n1,CXUJYIROYORWJV-UHFFFAOYSA-N
-rxn:4:222337:222981,Cc1cc(N2CCOCC2)nc(N2CCN(c3ncc(-c4ccnc(NC5CCCCC5)c4)cn3)CC2)n1,NLDHZESJQXWACP-UHFFFAOYSA-N
-rxn:4:222339:223076,Cc1nc(N2CCN(C)CC2)cc(N2CCN(c3cncc(-c4cccc(S(=O)(=O)NC5CC5)c4)c3)CC2)n1,UTURPIBQETVIGY-UHFFFAOYSA-N
-rxn:4:222389:215782,CCN1CCN(c2nc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)cs2)CC1,ZWULOCMEZJLMIV-UHFFFAOYSA-N
-rxn:4:222432:215898,CS(=O)(=O)N1CCC(c2cnc(-c3ccc(S(=O)(=O)NC4CCCCC4)c4ccccc34)cn2)CC1,CXDOKFACYZJRQS-UHFFFAOYSA-N
-rxn:4:222461:187969,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3c(F)cc(F)c4sc(NC(=O)OC(C)(C)C)nc34)cccc21,LLPGRWPYSZIBSZ-UHFFFAOYSA-N
-rxn:4:222543:187053,CC(C)N(C(=O)c1cccc(F)c1-c1ccc(C2(NC(=O)OC(C)(C)C)CC2)cc1)C(C)C,KQIDZESAFJKIHF-UHFFFAOYSA-N
-rxn:4:222581:187573,CC(C)NS(=O)(=O)c1ccc(-c2cccc(C3CCN(C(=O)OC(C)(C)C)CC3)c2)c2ccccc12,RIAJQVQQGYREJT-UHFFFAOYSA-N
-rxn:4:222623:204931,CCC(C)c1cc(-c2ccc3c(c2)C2CC(c4ccc(OC)cc4)=NN2C(c2ccc(Cl)cc2)O3)cc(C2CCNCC2)n1,ROKMLHSSBOYMCP-UHFFFAOYSA-N
-rxn:4:222751:215054,Cc1ccc(-c2ncn3c2CCN(C(=O)OC(C)(C)C)C3=O)cc1NC(=O)OC(C)(C)C,RHGHZOYLDWZQKL-UHFFFAOYSA-N
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-rxn:4:222811:185493,COC(=O)c1ccc2c(-c3cc(Cl)nc(NC(=O)OC(C)(C)C)c3)cn(C(=O)OC(C)(C)C)c2c1,GXYOWDOBPHIKIV-UHFFFAOYSA-N
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-rxn:5:177733:226444:225466,Cc1nc(C2CCCO2)ccc1-c1cc(C(=O)OC(C)(C)C)cc(-c2ccc(N3CCCCC3C)cc2)c1,YXYUFJABOQULRZ-UHFFFAOYSA-N
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-rxn:5:177737:225976:226679,CC(C)(C)OC(=O)c1cc(-c2cnc(N3CCCC3)cc2F)ccc1-c1ccnc(N2CCOCC2)c1F,ODYGEJKJZKSDMW-UHFFFAOYSA-N
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-rxn:5:177737:226794:225978,CC(C)(C)OC(=O)c1cc(-c2ccc(N3CCOCC3)nc2F)ccc1-c1cnc(N2CCSCC2)nc1,QFCPXLNIWFNVHM-UHFFFAOYSA-N
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-rxn:5:178467:225870:223294,CCOC(=O)C1=Cc2cc(-c3csc(N4CCNCC4)n3)cc(-c3cc(F)cc(N4CCOCC4)c3)c2OC1,ZDMXUMMECUUPHE-UHFFFAOYSA-N
-rxn:5:178467:225976:225849,CCOC(=O)C1=Cc2cc(-c3cnc(N4CCCCC4)cc3F)cc(-c3ccnc(N4CCOCC4)c3F)c2OC1,HCAHWUVEGMFMGL-UHFFFAOYSA-N
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-rxn:5:178467:225978:228292,CCOC(=O)C1=Cc2cc(-c3ccnc4c3OCCO4)cc(-c3ccc(N4CCOCC4)nc3F)c2OC1,GPWRAANZUJKZJF-UHFFFAOYSA-N
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-rxn:5:178556:225602:226139,N#CC1(c2ccc(F)c(-c3ccc(-c4cc(C5CC5)cnc4C4CC4)cc3COc3ccc4c(c3)C(=O)CCC4)c2)CCC1,WREHOROWZOMTKB-UHFFFAOYSA-N
-rxn:5:179418:222958:225805,Cc1ccc(-c2cc(CS(C)(=O)=O)ccc2-c2ccc(C(C)N3CCOCC3)s2)cc1C1CCNCC1,PNOYDXRIVUHSOP-UHFFFAOYSA-N
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-rxn:5:179418:225805:225623,CC(c1ccc(-c2cc(CS(C)(=O)=O)ccc2-c2cccc(OC3CCOCC3)c2)s1)N1CCOCC1,ZEWJINQQSJNTNR-UHFFFAOYSA-N
-rxn:5:179629:227657:225607,COc1ccc(-c2ccc(N3CCOCC3)s2)c(S(C)(=O)=O)c1-c1ccc(C(C)N2CCCCC2)s1,CKHCBMJEXNIROP-UHFFFAOYSA-N
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-rxn:5:180421:225470:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(CC2CCCCC2)cc1-c1ccc(N2CCC(C)CC2)cc1,CNIUHOSRYKJADT-UHFFFAOYSA-N
-rxn:5:180422:222960:225438,Cc1cc(-c2ccc(CC3CCCCC3)cc2-c2ccc(C(C)N3CCCC3)cc2)cc(C2CCNCC2)c1,VNKPOBNPNSQZKK-UHFFFAOYSA-N
-rxn:5:180506:226850:225655,COc1cc(-c2cc(C(C)(C)C)cc(C3OCCO3)c2-c2cncc(N3CCC(C)CC3)c2)cc(C(F)(F)F)n1,JIOYINLLOVMUEX-UHFFFAOYSA-N
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-rxn:5:180662:222988:227710,COC(=O)C1=Cc2cc(-c3ccc(OS(C)(=O)=O)cc3)cc(-c3cc(C)nc(C4CCNCC4)c3)c2OC1,JWOBGTXQMKHIJX-UHFFFAOYSA-N
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-rxn:5:181624:225832:222989,Cc1cc(N2CCNCC2)ccc1-c1cc(-c2c(C)nn(C3CCCCO3)c2C)ccc1C1OCCO1,ZTHMQHUZPTXGSU-UHFFFAOYSA-N
-rxn:5:181624:225832:226686,Cc1cnn(C2CCCCO2)c1-c1cc(-c2c(C)nn(C3CCCCO3)c2C)ccc1C1OCCO1,DIOXNTGRFVADDJ-UHFFFAOYSA-N
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-rxn:5:181904:222959:225407,Cc1cc(-c2ccc(C3OCCO3)c(C)c2-c2ccc(C3CCCCCC3)cc2)ccc1C1CCNCC1,BPHRYRNBFZCVTI-UHFFFAOYSA-N
-rxn:5:181904:226652:225439,Cc1cc(-c2ccc(C3OCCO3)c(C)c2-c2cccc(C(C)N3CCCC3)c2)n(C2CCCCO2)n1,RICYYYLQQNNASD-UHFFFAOYSA-N
-rxn:5:181905:225407:225805,Cc1ccc(-c2ccc(C(C)N3CCOCC3)s2)c(C2OCCO2)c1-c1ccc(C2CCCCCC2)cc1,JUUFRRXFADFQGR-UHFFFAOYSA-N
-rxn:5:181905:225453:225832,Cc1ccc(-c2c(C)nn(C3CCCCO3)c2C)c(C2OCCO2)c1-c1cccc(SC2CCCCC2)c1,DLZDZKBGSQAILK-UHFFFAOYSA-N
-rxn:5:181905:225654:226686,Cc1ccc(-c2c(C)cnn2C2CCCCO2)c(C2OCCO2)c1-c1ccc(N2CCCC(C)C2)nc1,GHWCGSWTSLAAKT-UHFFFAOYSA-N
-rxn:5:181906:225407:225453,Cc1ccc(-c2ccc(C3CCCCCC3)cc2)c(C2OCCO2)c1-c1cccc(SC2CCCCC2)c1,QRZHYDXHNBFAKP-UHFFFAOYSA-N
-rxn:5:181906:225407:226571,Cc1ccc(-c2ccc(C3CCCCCC3)cc2)c(C2OCCO2)c1-c1cnn(CC2CCOCC2)c1,PLUVKGHZJWLKMZ-UHFFFAOYSA-N
-rxn:5:181906:225439:226686,Cc1ccc(-c2cccc(C(C)N3CCCC3)c2)c(C2OCCO2)c1-c1c(C)cnn1C1CCCCO1,NHKBXLDSAKVBLY-UHFFFAOYSA-N
-rxn:5:181906:225451:225470,Cc1ccc(-c2ccc(SC3CCCCC3)cc2)c(C2OCCO2)c1-c1ccc(N2CCC(C)CC2)cc1,YYKBTRUMEXYYDP-UHFFFAOYSA-N
-rxn:5:181906:225655:225656,Cc1ccc(-c2cncc(N3CCC(C)CC3)c2)c(C2OCCO2)c1-c1cncc(N2CCCCC2C)c1,JEQBVSSYASTLBO-UHFFFAOYSA-N
-rxn:5:181906:225832:226159,Cc1ccc(-c2c(C)nn(C3CCCCO3)c2C)c(C2OCCO2)c1-c1cccc(N2CCCCC2)c1,FMBPXGJKDDRAOI-UHFFFAOYSA-N
-rxn:5:181907:222981:225636,Cc1cc(-c2ccnc(NC3CCCCC3)c2)c(-c2ccnc(N3CCC(C)CC3)c2)c(C2OCCO2)c1,OXDQKGNUOGTANH-UHFFFAOYSA-N
-rxn:5:181907:225462:222981,Cc1cc(-c2cccc(N3CCC(C)CC3)c2)c(-c2ccnc(NC3CCCCC3)c2)c(C2OCCO2)c1,NFEJLSHHQGPQIY-UHFFFAOYSA-N
-rxn:5:181907:225633:226425,Cc1cc(-c2ccc(N3CCCCCC3)nc2)c(-c2ccc(N3CCCCC3C)s2)c(C2OCCO2)c1,DYPWUJQTNXEUFL-UHFFFAOYSA-N
-rxn:5:181907:226158:225607,Cc1cc(-c2ccccc2N2CCCCC2)c(-c2ccc(C(C)N3CCCCC3)s2)c(C2OCCO2)c1,HAIKMYDKHXZRHF-UHFFFAOYSA-N
-rxn:5:181907:226686:225472,Cc1cc(-c2c(C)cnn2C2CCCCO2)c(-c2cccc(N3CCCCC3C)c2)c(C2OCCO2)c1,LWPUVFQZZKDLCZ-UHFFFAOYSA-N
-rxn:5:181908:222956:225462,Cc1ccc(-c2cc(C)c(C3OCCO3)cc2-c2cccc(N3CCC(C)CC3)c2)c(C2CCCNC2)c1,OVHFELIOLXSQTE-UHFFFAOYSA-N
-rxn:5:181908:222985:222996,Cc1cc(-c2ccc(C3CCCNC3)nc2C)c(-c2ccc(F)cc2C2CCCNC2)cc1C1OCCO1,PWNOGYNDCAYWKQ-UHFFFAOYSA-N
-rxn:5:181908:225394:225638,Cc1cc(-c2cc(C3CCC3)cc(C3CC3)c2)c(-c2ccc(N3CCC(C)CC3)nc2)cc1C1OCCO1,VSPDQVPIRDCVMR-UHFFFAOYSA-N
-rxn:5:181908:225407:225784,Cc1cc(-c2ccc(C3CCCCCC3)cc2)c(-c2ccc(CN3CCOCC3)nc2)cc1C1OCCO1,QBIIJIGWOQUAPI-UHFFFAOYSA-N
-rxn:5:181908:225451:226654,Cc1cc(-c2ccc(SC3CCCCC3)cc2)c(-c2csc(N3CCC(C)CC3)n2)cc1C1OCCO1,SYYVAXWHTKMSMD-UHFFFAOYSA-N
-rxn:5:181908:225453:222956,Cc1ccc(-c2cc(C3OCCO3)c(C)cc2-c2cccc(SC3CCCCC3)c2)c(C2CCCNC2)c1,VZWJBTJGRSTUOQ-UHFFFAOYSA-N
-rxn:5:181908:225453:225655,Cc1cc(-c2cccc(SC3CCCCC3)c2)c(-c2cncc(N3CCC(C)CC3)c2)cc1C1OCCO1,SWLWZNLZJCHJLT-UHFFFAOYSA-N
-rxn:5:181908:225633:226425,Cc1cc(-c2ccc(N3CCCCCC3)nc2)c(-c2ccc(N3CCCCC3C)s2)cc1C1OCCO1,DYNWZPPBAXJNCL-UHFFFAOYSA-N
-rxn:5:181908:225831:226686,Cc1cc(-c2cnc(N3CCOCC3)c(C)c2)c(-c2c(C)cnn2C2CCCCO2)cc1C1OCCO1,SWUBKZFPJFOTTA-UHFFFAOYSA-N
-rxn:5:181908:225884:222985,Cc1cc(-c2ccc(C3COCCO3)c(F)c2)c(-c2ccc(C3CCCNC3)nc2C)cc1C1OCCO1,FRGSPIBIKUXOFD-UHFFFAOYSA-N
-rxn:5:181908:226364:225607,Cc1cc(-c2ccc(N3CCCCC3)nc2)c(-c2ccc(C(C)N3CCCCC3)s2)cc1C1OCCO1,ZIESORMWRRVRKT-UHFFFAOYSA-N
-rxn:5:182009:222990:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(-c2ccc(N3CCC(O)CC3)cc2)c(C2CCOCC2)c1,SAVADIJOXJWNHX-UHFFFAOYSA-N
-rxn:5:182010:225884:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(C2CCOCC2)c(-c2ccc(C3COCCO3)c(F)c2)c1,DSLPXKMKYCQPEA-UHFFFAOYSA-N
-rxn:5:182010:227449:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(C2CCOCC2)c(-c2ccc(C3CCOCC3)s2)c1,FQKNEMKXRXKINA-UHFFFAOYSA-N
-rxn:5:182012:222960:226654,Cc1cc(-c2ccc(-c3csc(N4CCC(C)CC4)n3)c(C3CCCOC3)c2)cc(C2CCNCC2)c1,QOPHLKWRTYHDMZ-UHFFFAOYSA-N
-rxn:5:183189:225683:225407,Cc1nc(C2CCCOC2)ccc1-c1cc(-c2ccc(C3CCCCCC3)cc2)cc2c1OC(C)(C)OC2,MLLVWEOGBXUIFV-UHFFFAOYSA-N
-rxn:5:183189:225832:226187,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2cccc(C3CCOCC3)c2)cc2c1OC(C)(C)OC2,BZWNWXAEWHFGAM-UHFFFAOYSA-N
-rxn:5:188867:223061:222994,CC(C)OC(=O)c1cc(-c2cccc(N3CCC(O)CC3)c2)ncc1-c1cc(C2CCNCC2)ncc1F,DMIOLMZMQVLQOJ-UHFFFAOYSA-N
-rxn:5:188930:226174:226374,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccc(C3CCCCC3)nc2)cc1-c1cncnc1C1CCCCC1,YGQKEMUJPGRQIU-UHFFFAOYSA-N
-rxn:5:188930:226182:226374,COC(=O)c1cc(S(N)(=O)=O)c(-c2cccnc2C2CCCCC2)cc1-c1cncnc1C1CCCCC1,FFTXZESHJWETPI-UHFFFAOYSA-N
-rxn:5:188930:226649:226330,COC(=O)c1cc(S(N)(=O)=O)c(-c2cccnc2N2CCOCC2)cc1-c1ccc(C(C)N2CCCC2)s1,LUPJHDDTGOAVMV-UHFFFAOYSA-N
-rxn:5:189081:225601:222985,Cc1nc(C2CCCNC2)ccc1-c1ccc(CC(=O)N(C)C)c(-c2ccc(C3(C#N)CCC3)cc2F)c1,GTCABUBVASLYOV-UHFFFAOYSA-N
-rxn:5:189208:223240:227354,CC(C)Oc1cc(-c2cc(-c3ccc(C4CCNC4)nc3)ccc2C(=O)ON2C(=O)CCC2=O)ccc1F,IPGITDYXUMECOM-UHFFFAOYSA-N
-rxn:5:189212:227285:222404,N#Cc1cnc(C2CC2)c(-c2cc(C(=O)ON3C(=O)CCC3=O)ccc2-c2ccc(C3NC(=O)NC3=O)cc2)c1,KTAPEMCLDZUWJJ-UHFFFAOYSA-N
-rxn:5:189319:223065:226664,CC(C)(C)OC(=O)c1nc(-c2cc(N3CCCC3)ncc2F)ccc1-c1ccc(N2CCNCC2)cc1F,DBMZEWDEFOLNGE-UHFFFAOYSA-N
-rxn:5:189319:225679:223294,CC(C)(C)OC(=O)c1nc(-c2csc(N3CCNCC3)n2)ccc1-c1ccc(N2CCCCC2)cc1F,BWPHAZFXRDTWMC-UHFFFAOYSA-N
-rxn:5:189319:225679:226663,CC(C)(C)OC(=O)c1nc(-c2ccc(N3CCSCC3)nc2)ccc1-c1ccc(N2CCCCC2)cc1F,HMPXATXHFSFJIG-UHFFFAOYSA-N
-rxn:5:189319:225872:226663,CC(C)(C)OC(=O)c1nc(-c2ccc(N3CCSCC3)nc2)ccc1-c1cc(F)c(F)c(N2CCCC2)c1,QTUNEDLMDSPZGU-UHFFFAOYSA-N
-rxn:5:189319:226664:223065,CC(C)(C)OC(=O)c1nc(-c2ccc(N3CCNCC3)cc2F)ccc1-c1cc(N2CCCC2)ncc1F,BYNWQXRSIODEFV-UHFFFAOYSA-N
-rxn:5:189320:223065:223294,CC(C)(C)OC(=O)c1cnc(-c2csc(N3CCNCC3)n2)c(-c2ccc(N3CCNCC3)cc2F)c1,WNEQOFSVPSSZMW-UHFFFAOYSA-N
-rxn:5:189320:223065:225976,CC(C)(C)OC(=O)c1cnc(-c2ccnc(N3CCOCC3)c2F)c(-c2ccc(N3CCNCC3)cc2F)c1,WHNIOBLVFGEKBH-UHFFFAOYSA-N
-rxn:5:189320:225978:223131,CC(C)(C)OC(=O)c1cnc(-c2ccc(N3CCNCC3)cc2)c(-c2ccc(N3CCOCC3)nc2F)c1,OXUAFVBGYCELBX-UHFFFAOYSA-N
-rxn:5:189321:223065:226664,CC(C)(C)OC(=O)c1nc(-c2ccc(N3CCNCC3)cc2F)ccc1-c1cc(N2CCCC2)ncc1F,BYNWQXRSIODEFV-UHFFFAOYSA-N
-rxn:5:189321:225872:226663,CC(C)(C)OC(=O)c1nc(-c2cc(F)c(F)c(N3CCCC3)c2)ccc1-c1ccc(N2CCSCC2)nc1,MWSMSFCIXGHIBH-UHFFFAOYSA-N
-rxn:5:189321:226664:223065,CC(C)(C)OC(=O)c1nc(-c2cc(N3CCCC3)ncc2F)ccc1-c1ccc(N2CCNCC2)cc1F,DBMZEWDEFOLNGE-UHFFFAOYSA-N
-rxn:5:189322:222980:226137,CC(C)c1ncc(C2CC2)cc1-c1ncc(-c2ccc(CN3CCNCC3)cc2)cc1C(=O)OC(C)(C)C,UVRCQPRYUPIICZ-UHFFFAOYSA-N
-rxn:5:189322:223294:225976,CC(C)(C)OC(=O)c1cc(-c2csc(N3CCNCC3)n2)cnc1-c1ccnc(N2CCOCC2)c1F,BTNDIBRXVYAKRQ-UHFFFAOYSA-N
-rxn:5:189322:226794:225806,CC(C)(C)OC(=O)c1cc(-c2cnc(N3CCSCC3)nc2)cnc1-c1cnc(OC2CCCC2)cc1F,MMOJXGXSLCRDOD-UHFFFAOYSA-N
-rxn:5:189323:223065:225976,CC(C)(C)OC(=O)c1cc(-c2ccnc(N3CCOCC3)c2F)ncc1-c1ccc(N2CCNCC2)cc1F,CJSPXAOLCWMLGO-UHFFFAOYSA-N
-rxn:5:189323:223065:225980,CC(C)(C)OC(=O)c1cc(-c2cc(N3CCOCC3)ncc2F)ncc1-c1ccc(N2CCNCC2)cc1F,XRCCLJSACRWLJT-UHFFFAOYSA-N
-rxn:5:189323:223065:225982,CC(C)(C)OC(=O)c1cc(-c2cnc(N3CCOCC3)cc2F)ncc1-c1ccc(N2CCNCC2)cc1F,PIGJHXFFZUBLEF-UHFFFAOYSA-N
-rxn:5:189323:223065:226794,CC(C)(C)OC(=O)c1cc(-c2cnc(N3CCSCC3)nc2)ncc1-c1ccc(N2CCNCC2)cc1F,QWYQOQGXLRLFOV-UHFFFAOYSA-N
-rxn:5:189323:223294:223065,CC(C)(C)OC(=O)c1cc(-c2ccc(N3CCNCC3)cc2F)ncc1-c1csc(N2CCNCC2)n1,OOTFJZDSYQLKBE-UHFFFAOYSA-N
-rxn:5:189323:223294:225868,CC(C)(C)OC(=O)c1cc(-c2ccc(N3CCOCC3)c(F)c2)ncc1-c1csc(N2CCNCC2)n1,TYSQECALCVCRKE-UHFFFAOYSA-N
-rxn:5:189323:225679:223056,CC(C)(C)OC(=O)c1cc(-c2ccc(N3CCC(O)CC3)nc2)ncc1-c1ccc(N2CCCCC2)cc1F,BYMVLIVRBYSESC-UHFFFAOYSA-N
-rxn:5:189323:225834:222990,CC(C)(C)OC(=O)c1cc(-c2ccc(N3CCC(O)CC3)cc2)ncc1-c1cc(N2CCCCC2)ncc1F,GGSWVRMKJYYUFR-UHFFFAOYSA-N
-rxn:5:189323:225834:223065,CC(C)(C)OC(=O)c1cc(-c2ccc(N3CCNCC3)cc2F)ncc1-c1cc(N2CCCCC2)ncc1F,XPHZWCPTUAMREE-UHFFFAOYSA-N
-rxn:5:189323:225879:226794,CC(C)(C)OC(=O)c1cc(-c2cnc(N3CCSCC3)nc2)ncc1-c1ccc(N2CCOCC2)cc1F,CAWUJOKEZZLIGR-UHFFFAOYSA-N
-rxn:5:189323:225976:223065,CC(C)(C)OC(=O)c1cc(-c2ccc(N3CCNCC3)cc2F)ncc1-c1ccnc(N2CCOCC2)c1F,ACKUWELWTDSVNT-UHFFFAOYSA-N
-rxn:5:189323:225976:226422,CC(C)(C)OC(=O)c1cc(-c2cc(F)ccc2N2CCCC2)ncc1-c1ccnc(N2CCOCC2)c1F,CHZLMEPIKIEUGS-UHFFFAOYSA-N
-rxn:5:189323:225976:226431,CC(C)(C)OC(=O)c1cc(-c2ccc(N3CCCC3)c(F)c2)ncc1-c1ccnc(N2CCOCC2)c1F,WOOZSUBSTLQKEI-UHFFFAOYSA-N
-rxn:5:189323:225976:226664,CC(C)(C)OC(=O)c1cc(-c2cc(N3CCCC3)ncc2F)ncc1-c1ccnc(N2CCOCC2)c1F,HYHXAVYJUFSWHO-UHFFFAOYSA-N
-rxn:5:189323:225978:223056,CC(C)(C)OC(=O)c1cc(-c2ccc(N3CCC(O)CC3)nc2)ncc1-c1ccc(N2CCOCC2)nc1F,OBJDQBRQFCOBDF-UHFFFAOYSA-N
-rxn:5:189323:225980:223065,CC(C)(C)OC(=O)c1cc(-c2ccc(N3CCNCC3)cc2F)ncc1-c1cc(N2CCOCC2)ncc1F,SJBLKNSZGHOJSA-UHFFFAOYSA-N
-rxn:5:189323:225982:223056,CC(C)(C)OC(=O)c1cc(-c2ccc(N3CCC(O)CC3)nc2)ncc1-c1cnc(N2CCOCC2)cc1F,LXQUKWCDOXKHQD-UHFFFAOYSA-N
-rxn:5:189323:225982:223065,CC(C)(C)OC(=O)c1cc(-c2ccc(N3CCNCC3)cc2F)ncc1-c1cnc(N2CCOCC2)cc1F,QNPYGELKOQIMKA-UHFFFAOYSA-N
-rxn:5:189323:226658:223065,CC(C)(C)OC(=O)c1cc(-c2ccc(N3CCNCC3)cc2F)ncc1-c1ccc(N2CCCC2)nc1F,BJYSBFHCSNHVSO-UHFFFAOYSA-N
-rxn:5:189323:226679:222990,CC(C)(C)OC(=O)c1cc(-c2ccc(N3CCC(O)CC3)cc2)ncc1-c1cnc(N2CCCC2)cc1F,MACXARCXRWMPJV-UHFFFAOYSA-N
-rxn:5:189323:226679:222994,CC(C)(C)OC(=O)c1cc(-c2cccc(N3CCC(O)CC3)c2)ncc1-c1cnc(N2CCCC2)cc1F,KMGLNBMMFOZNSW-UHFFFAOYSA-N
-rxn:5:189323:226679:223065,CC(C)(C)OC(=O)c1cc(-c2ccc(N3CCNCC3)cc2F)ncc1-c1cnc(N2CCCC2)cc1F,CBRGXUVMJJZSAY-UHFFFAOYSA-N
-rxn:5:189323:226794:225590,CC(C)(C)OC(=O)c1cc(-c2ccc(CN3CCCC3)c(F)c2)ncc1-c1cnc(N2CCSCC2)nc1,WRDOAEAKPVVIJC-UHFFFAOYSA-N
-rxn:5:189334:222990:225834,CC(C)(C)OC(=O)c1ncc(-c2ccc(N3CCC(O)CC3)cc2)cc1-c1cc(N2CCCCC2)ncc1F,UTUMJVPJWHBVCK-UHFFFAOYSA-N
-rxn:5:189334:222994:225834,CC(C)(C)OC(=O)c1ncc(-c2cccc(N3CCC(O)CC3)c2)cc1-c1cc(N2CCCCC2)ncc1F,KTPLSJICKSDPTE-UHFFFAOYSA-N
-rxn:5:189334:223065:225976,CC(C)(C)OC(=O)c1ncc(-c2ccc(N3CCNCC3)cc2F)cc1-c1ccnc(N2CCOCC2)c1F,LFNDBLORVSXRLZ-UHFFFAOYSA-N
-rxn:5:189334:223065:226658,CC(C)(C)OC(=O)c1ncc(-c2ccc(N3CCNCC3)cc2F)cc1-c1ccc(N2CCCC2)nc1F,FGFVYYZRIQFQQG-UHFFFAOYSA-N
-rxn:5:189334:223065:226679,CC(C)(C)OC(=O)c1ncc(-c2ccc(N3CCNCC3)cc2F)cc1-c1cnc(N2CCCC2)cc1F,PTDJUCDPGQQWLY-UHFFFAOYSA-N
-rxn:5:189334:223294:223065,CC(C)(C)OC(=O)c1ncc(-c2csc(N3CCNCC3)n2)cc1-c1ccc(N2CCNCC2)cc1F,HDYOOOVIUMOGLQ-UHFFFAOYSA-N
-rxn:5:189334:225592:226663,CC(C)(C)OC(=O)c1ncc(-c2cc(F)ccc2CN2CCCC2)cc1-c1ccc(N2CCSCC2)nc1,KQXNGBOWLYGQAO-UHFFFAOYSA-N
-rxn:5:189334:225598:226679,CC(C)(C)OC(=O)c1ncc(-c2cccc(CN3CCSCC3)c2)cc1-c1cnc(N2CCCC2)cc1F,AEKASCQBZGEGPU-UHFFFAOYSA-N
-rxn:5:189334:225666:226663,CC(C)(C)OC(=O)c1ncc(-c2cc(F)cc(N3CCCCC3)c2)cc1-c1ccc(N2CCSCC2)nc1,SIYSWXPWDXGSJJ-UHFFFAOYSA-N
-rxn:5:189334:225868:226664,CC(C)(C)OC(=O)c1ncc(-c2ccc(N3CCOCC3)c(F)c2)cc1-c1cc(N2CCCC2)ncc1F,URPRMDCIQVFMMT-UHFFFAOYSA-N
-rxn:5:189334:225868:226679,CC(C)(C)OC(=O)c1ncc(-c2ccc(N3CCOCC3)c(F)c2)cc1-c1cnc(N2CCCC2)cc1F,BVYSDGNYEVLSHM-UHFFFAOYSA-N
-rxn:5:189334:225976:223065,CC(C)(C)OC(=O)c1ncc(-c2ccnc(N3CCOCC3)c2F)cc1-c1ccc(N2CCNCC2)cc1F,DHWVZVFACOOUPQ-UHFFFAOYSA-N
-rxn:5:189334:225980:223065,CC(C)(C)OC(=O)c1ncc(-c2cc(N3CCOCC3)ncc2F)cc1-c1ccc(N2CCNCC2)cc1F,VBGJJXDMSOSIKB-UHFFFAOYSA-N
-rxn:5:189334:226420:225976,CC(C)(C)OC(=O)c1ncc(-c2ccc(F)c(N3CCCC3)c2)cc1-c1ccnc(N2CCOCC2)c1F,LMQKTODMDKRZJF-UHFFFAOYSA-N
-rxn:5:189334:226431:223056,CC(C)(C)OC(=O)c1ncc(-c2ccc(N3CCCC3)c(F)c2)cc1-c1ccc(N2CCC(O)CC2)nc1,NAXFIJSGFNKVIV-UHFFFAOYSA-N
-rxn:5:189334:226431:225980,CC(C)(C)OC(=O)c1ncc(-c2ccc(N3CCCC3)c(F)c2)cc1-c1cc(N2CCOCC2)ncc1F,WRWXGUGIKHEVCM-UHFFFAOYSA-N
-rxn:5:189334:226658:223065,CC(C)(C)OC(=O)c1ncc(-c2ccc(N3CCCC3)nc2F)cc1-c1ccc(N2CCNCC2)cc1F,VSYHKBJBOQXQRM-UHFFFAOYSA-N
-rxn:5:189334:226663:225592,CC(C)(C)OC(=O)c1ncc(-c2ccc(N3CCSCC3)nc2)cc1-c1cc(F)ccc1CN1CCCC1,UUJDJQZJCQCOIG-UHFFFAOYSA-N
-rxn:5:189334:226663:225868,CC(C)(C)OC(=O)c1ncc(-c2ccc(N3CCSCC3)nc2)cc1-c1ccc(N2CCOCC2)c(F)c1,PGMJKYWJDZZISB-UHFFFAOYSA-N
-rxn:5:189334:226679:223065,CC(C)(C)OC(=O)c1ncc(-c2cnc(N3CCCC3)cc2F)cc1-c1ccc(N2CCNCC2)cc1F,GHFOTQKFPIHEMT-UHFFFAOYSA-N
-rxn:5:189448:226901:227611,COC1CN(C(=O)c2ccc(-c3cccc(S(F)(F)(F)(F)F)c3)c(-c3ccnn3C3CCCCO3)c2)C1,PVJNHPJYKMMUGJ-UHFFFAOYSA-N
-rxn:5:189448:227020:225849,COC1CN(C(=O)c2ccc(-c3cncc(C#CC4CC4)c3)c(-c3cnc(N4CCCCC4)cc3F)c2)C1,NAVSXZOFVSJNLI-UHFFFAOYSA-N
-rxn:5:189538:223145:226037,COc1c(C(F)(F)F)ccc(-c2cc(C(=O)N(C)C(C)C)ccc2-c2ccc(C3CCC(=O)N3)cc2)c1F,LQHJVGCILCYDJV-UHFFFAOYSA-N
-rxn:5:189538:226068:225450,Cc1cc(C(C)(C)C)cc(C)c1-c1ccc(C(=O)N(C)C(C)C)cc1-c1ccc(C(=O)C2CCCC2)cc1,DUUJIUFEILJBED-UHFFFAOYSA-N
-rxn:5:189668:225498:227349,COc1cc(C)cc(-c2ccc(CC(=O)N3CCCC3)c(-c3cc(C4CCCCC4)ccc3F)c2)c1OC,HJONBUHBFKPORD-UHFFFAOYSA-N
-rxn:5:189674:226069:226190,CC(C)(C)S(=O)/N=C/c1ccc(-c2ccc(C3CCCC3)cc2F)cc1-c1cccc(C2CCCCC2)c1,XYUOGSTYDHHNMB-GOJREDGKSA-N
-rxn:5:189718:223383:225879,CC(=O)Nc1ccc(-c2cc(OC3CCOCC3)c([N+](=O)[O-])cc2-c2ccc(N3CCOCC3)cc2F)cn1,UHCLGIMENGQTIG-UHFFFAOYSA-N
-rxn:5:189718:226742:228678,CC(C)Cn1nccc1-c1cc([N+](=O)[O-])c(OC2CCOCC2)cc1-c1ccc(C#N)cc1C(F)(F)F,AELGDVDWTYQCEG-UHFFFAOYSA-N
-rxn:5:189910:227803:227656,CN(C)S(=O)(=O)n1nccc1-c1ccc(-c2cc(N3CCOCC3)cs2)c(CCN2CCOCC2)c1,BQSNGTZJASTCOR-UHFFFAOYSA-N
-rxn:5:189952:225976:223113,COc1c(-c2ccc3c(c2)C(C)(C)C(=O)N3)cc(C(=O)N2CCOCC2)cc1-c1ccnc(N2CCOCC2)c1F,DYGVGHYXDZVWNE-UHFFFAOYSA-N
-rxn:5:190000:223011:223062,CC(C)Oc1cc2cn[nH]c2cc1-c1cc(-c2cnc(C3CCNCC3)cc2F)ccc1CC(=O)N1CCCCC1,MORKDCXIACXMLL-UHFFFAOYSA-N
-rxn:5:190000:223056:227989,CC#Cc1ccc(F)c(-c2ccc(CC(=O)N3CCCCC3)c(-c3ccc(N4CCC(O)CC4)nc3)c2)c1,MOAUYNWMLAEBPB-UHFFFAOYSA-N
-rxn:5:190000:227045:225449,CC(C)(C)Sc1cccc(-c2cc(-c3cccc(OC4CCCCC4)c3)ccc2CC(=O)N2CCCCC2)c1,LOHLNSYURPFCRW-UHFFFAOYSA-N
-rxn:5:190000:227052:226129,CC(C)(C)Sc1ccc(-c2cc(-c3cccc(CN4CCCC4)c3)ccc2CC(=O)N2CCCCC2)cc1,BYHUWUDDNRPDIT-UHFFFAOYSA-N
-rxn:5:190000:227935:225499,CCc1cc(-c2cc(-c3ccc(C4CCCCC4)cc3F)ccc2CC(=O)N2CCCCC2)ccc1OC,NAWOSZVUKUKHEO-UHFFFAOYSA-N
-rxn:5:190001:223056:227989,CC#Cc1ccc(F)c(-c2ccc(CC(=O)N3CCCCC3)cc2-c2ccc(N3CCC(O)CC3)nc2)c1,KAVSCMJOTRZUIV-UHFFFAOYSA-N
-rxn:5:190001:225445:227935,CCc1cc(-c2ccc(CC(=O)N3CCCCC3)cc2-c2ccccc2OC2CCCCC2)ccc1OC,GQPTYHGRBVRRRU-UHFFFAOYSA-N
-rxn:5:190001:226064:227052,CC(C)(C)Sc1ccc(-c2ccc(CC(=O)N3CCCCC3)cc2-c2ccc(C3CCCCC3)cc2)cc1,CSWQVPXOHPYLRG-UHFFFAOYSA-N
-rxn:5:190001:227019:226150,CC(C)(C#N)c1cccc(-c2cc(CC(=O)N3CCCCC3)ccc2-c2cccc(SC3CCCC3)c2)c1,RYOPCCIMSWLFRD-UHFFFAOYSA-N
-rxn:5:190001:227045:226176,CC(C)(C)Sc1cccc(-c2cc(CC(=O)N3CCCCC3)ccc2-c2ccncc2C2CCCCC2)c1,QTWZWMVYSAZIKM-UHFFFAOYSA-N
-rxn:5:190001:227052:226151,Cc1cc(OC(C)C)c(-c2ccc(CC(=O)N3CCCCC3)cc2-c2ccc(SC(C)(C)C)cc2)cc1C,YLXGKOLJHWQZRT-UHFFFAOYSA-N
-rxn:5:190001:227119:227045,CC(C)(C)Sc1cccc(-c2ccc(CC(=O)N3CCCCC3)cc2-c2cc(C3CCCCC3)cs2)c1,GLCKYSIGKMFQJW-UHFFFAOYSA-N
-rxn:5:190127:222957:229015,COC1CCN(C(=O)c2cc(-c3cc(C)cc(C4CCCNC4)c3)ccc2-c2ccsc2C(C)C)CC1,WYQJWODLMNHMAW-UHFFFAOYSA-N
-rxn:5:190127:225453:228157,COc1ccc(-c2ccc(-c3cccc(SC4CCCCC4)c3)cc2C(=O)N2CCC(OC)CC2)c(OC)c1,AUYRFFWLVYACSJ-UHFFFAOYSA-N
-rxn:5:190127:228157:226150,COc1ccc(-c2ccc(-c3cccc(SC4CCCC4)c3)c(C(=O)N3CCC(OC)CC3)c2)c(OC)c1,FXZMOAVVKMIZIZ-UHFFFAOYSA-N
-rxn:5:190127:228555:225451,COCc1ccccc1-c1ccc(-c2ccc(SC3CCCCC3)cc2)c(C(=O)N2CCC(OC)CC2)c1,CYUBCPDYIXTNHP-UHFFFAOYSA-N
-rxn:5:190128:227302:226212,CON=C1CCc2cc(-c3cc(C(=O)N4CCC(OC)CC4)ccc3-c3cnc(OC(C)C)c(C)c3)ccc21,OTLFRDPWIVZMLF-UHFFFAOYSA-N
-rxn:5:190128:227932:226146,COCc1ccc(C)c(-c2ccc(C(=O)N3CCC(OC)CC3)cc2-c2ccc(SC3CCCC3)cc2)c1,YVFBBDZFMFYDDQ-UHFFFAOYSA-N
-rxn:5:190131:223284:227052,COc1c(-c2ccc(NS(C)(=O)=O)cc2)cc(C(=O)N2CCCCC2)cc1-c1ccc(SC(C)(C)C)cc1,FUVMCIVGXPTYEB-UHFFFAOYSA-N
-rxn:5:190131:225453:228506,CCCc1ccccc1-c1cc(C(=O)N2CCCCC2)cc(-c2cccc(SC3CCCCC3)c2)c1OC,FJYJEXAWFCILRC-UHFFFAOYSA-N
-rxn:5:190132:223065:223011,COC1CCN(C(=O)c2ccc(-c3ccc(N4CCNCC4)cc3F)cc2-c2cc3[nH]ncc3cc2OC(C)C)CC1,LCHTXRKQMXILRD-UHFFFAOYSA-N
-rxn:5:190132:225808:223199,COC1CCN(C(=O)c2ccc(-c3cc(OC4CCCC4)ncc3F)cc2-c2cccc(C3CCNC3)c2)CC1,XJELEDNIXLVATB-UHFFFAOYSA-N
-rxn:5:190177:227746:225454,CN1CC=C(c2ccc(-c3ccc(SC4CC(=O)N(c5ccc(-c6cccc(C(F)(F)F)c6F)cc5)C4=O)cc3)cc2)CC1,RVQMZVUHUMFTTD-UHFFFAOYSA-N
-rxn:5:190194:225407:228156,COc1ccc(OC)c(-c2c(CN3CCC(OC)CC3)cccc2-c2ccc(C3CCCCCC3)cc2)c1,KEXGTVNZCIOWAY-UHFFFAOYSA-N
-rxn:5:190194:225453:227568,COc1cc(F)c(-c2c(CN3CCC(OC)CC3)cccc2-c2cccc(SC3CCCCC3)c2)c(OC)c1,ULAYQZGNUUOAIR-UHFFFAOYSA-N
-rxn:5:190194:225515:223312,COC1CCN(Cc2cccc(-c3cccc4c3OCC(C)(C)CO4)c2-c2ccc(C3CNC3)cc2)CC1,PAUBDIMYOWQNJU-UHFFFAOYSA-N
-rxn:5:190194:226778:226069,COc1cc(-c2cccc(CN3CCC(OC)CC3)c2-c2cccc(C3CCCCC3)c2)c(F)c(F)c1OC,QAAHFIHIJYVLLK-UHFFFAOYSA-N
-rxn:5:190194:227205:223010,COC1CCN(Cc2cccc(-c3cccc4c3OCCCO4)c2-c2ccc(C3(O)CCOCC3)cc2)CC1,ZBUICEOMKFMFCL-UHFFFAOYSA-N
-rxn:5:190194:227348:225499,COc1ccc(-c2cccc(CN3CCC(OC)CC3)c2-c2ccc(C3CCCCC3)cc2F)c(C)c1OC,YBEJBDNMUYGEEQ-UHFFFAOYSA-N
-rxn:5:190194:227561:225622,COc1cc(F)c(-c2cccc(CN3CCC(OC)CC3)c2-c2ccccc2OC2CCCCO2)cc1OC,BFEYHTIXDFVZJK-UHFFFAOYSA-N
-rxn:5:190194:227710:223294,COC1CCN(Cc2cccc(-c3ccc(OS(C)(=O)=O)cc3)c2-c2csc(N3CCNCC3)n2)CC1,IAXUHMUMQGNBBK-UHFFFAOYSA-N
-rxn:5:190195:223113:223006,CN(Cc1ccc(-c2ccc3c(c2)C(C)(C)C(=O)N3)c(-c2ccc(F)c(C3CCNCC3)c2)c1)C1CCOCC1,ATXQGVKFPNLBCF-UHFFFAOYSA-N
-rxn:5:190195:223113:227491,CN(Cc1ccc(-c2ccc3c(c2)C(C)(C)C(=O)N3)c(-c2cnc(OC3CCC3)nc2)c1)C1CCOCC1,MQIYSNMHPTWSFZ-UHFFFAOYSA-N
-rxn:5:190196:223058:225436,CN(Cc1ccc(-c2cc(F)nc(C3CCCNC3)c2)cc1-c1ccc(CN2CCCCC2)cc1)C1CCOCC1,ZPSUWMHEVJYZJO-UHFFFAOYSA-N
-rxn:5:190196:225784:223113,CN(Cc1ccc(-c2ccc(CN3CCOCC3)nc2)cc1-c1ccc2c(c1)C(C)(C)C(=O)N2)C1CCOCC1,DVEOVQHLTROSBY-UHFFFAOYSA-N
-rxn:5:190197:226426:226846,COc1nc(C(F)(F)F)ccc1-c1ccc(CN(C)C2CCOCC2)c(-c2ccc(N3CCC(C)CC3)s2)c1,ZDZULFHBYFQETJ-UHFFFAOYSA-N
-rxn:5:190199:223113:225803,CN(Cc1cc(-c2ccnc(OC3CCOCC3)c2)ccc1-c1ccc2c(c1)C(C)(C)C(=O)N2)C1CCOCC1,HHRLCDXQAVHJHD-UHFFFAOYSA-N
-rxn:5:190199:225439:225886,CC(c1cccc(-c2ccc(-c3ccc4c(ccn4S(C)(=O)=O)c3)cc2CN(C)C2CCOCC2)c1)N1CCCC1,NNDWKLZZRABDIH-UHFFFAOYSA-N
-rxn:5:190200:225450:227956,Cc1cc(-c2cc(CN(C)C3CCOCC3)cc(-c3ccc(C(=O)C4CCCC4)cc3)c2)cc(C(C)C)n1,ZKYISTYPEMWHPD-UHFFFAOYSA-N
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-rxn:5:190201:226645:223113,CC1CN(CCc2cc(-c3ccnc(N4CCOCC4)c3)ccc2-c2ccc3c(c2)C(C)(C)C(=O)N3)CCO1,LEJDXULUMKWQCU-UHFFFAOYSA-N
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-rxn:5:190484:227827:227094,Cc1ccc(C2CC2)cc1-c1cccc(C(=O)N2CCC(c3ccccc3-c3cnccc3C3CCCC3)S(=O)(=O)CC2)c1,XWQWXVSYVCNWCS-UHFFFAOYSA-N
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-rxn:5:190650:223064:223054,CCOC(=O)c1cnc2ccc(-c3ccc(C(C)N4CCC(O)C4)s3)cc2c1-c1ccc(C2CCNCC2)nc1F,DDNGQFIXUHZBRT-UHFFFAOYSA-N
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-rxn:5:190740:225601:225794,CCOC(=O)c1cnc2c(C)cc(-c3ccc(C4(C#N)CCC4)cc3F)cc2c1-c1cnc(OC2CCCCC2)nc1,KJAIEDPVUZKJDJ-UHFFFAOYSA-N
-rxn:5:190740:225605:225674,CCOC(=O)c1cnc2c(C)cc(-c3cc(C)cnc3OC3CCCC3)cc2c1-c1cnc(C2CCCCC2)cc1F,LRLVSHWTZGKAKE-UHFFFAOYSA-N
-rxn:5:190740:225656:225671,CCOC(=O)c1cnc2c(C)cc(-c3cncc(N4CCCCC4C)c3)cc2c1-c1cc(C2CCCCC2)ncc1F,SMQKOMCDZXDTDY-UHFFFAOYSA-N
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-rxn:5:190740:225833:225976,CCOC(=O)c1cnc2c(C)cc(-c3ccnc(N4CCCCC4)c3F)cc2c1-c1ccnc(N2CCOCC2)c1F,VRVICEGAXLGYMR-UHFFFAOYSA-N
-rxn:5:190740:225976:225834,CCOC(=O)c1cnc2c(C)cc(-c3ccnc(N4CCOCC4)c3F)cc2c1-c1cc(N2CCCCC2)ncc1F,CDABGLFSWCLECT-UHFFFAOYSA-N
-rxn:5:190740:226426:225834,CCOC(=O)c1cnc2c(C)cc(-c3ccc(N4CCC(C)CC4)s3)cc2c1-c1cc(N2CCCCC2)ncc1F,AMAWFDVRWDKGRH-UHFFFAOYSA-N
-rxn:5:190741:223056:225674,CCOC(=O)c1cnc2c(-c3ccc(N4CCC(O)CC4)nc3)cc(C)cc2c1-c1cnc(C2CCCCC2)cc1F,GGIUQODPBWRTRW-UHFFFAOYSA-N
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-rxn:5:190741:225655:225671,CCOC(=O)c1cnc2c(-c3cncc(N4CCC(C)CC4)c3)cc(C)cc2c1-c1cc(C2CCCCC2)ncc1F,URVHOOJSTPBSLG-UHFFFAOYSA-N
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-rxn:5:190742:222993:225833,CCOC(=O)c1cnc2c(C)ccc(-c3cccc(N4CCCCC4O)c3)c2c1-c1ccnc(N2CCCCC2)c1F,PNPBMBSIOGXYKR-UHFFFAOYSA-N
-rxn:5:190742:223062:223062,CCOC(=O)c1cnc2c(C)ccc(-c3cnc(C4CCNCC4)cc3F)c2c1-c1cnc(C2CCNCC2)cc1F,LEDDVDIWKDXTFA-UHFFFAOYSA-N
-rxn:5:190742:223062:225834,CCOC(=O)c1cnc2c(C)ccc(-c3cnc(C4CCNCC4)cc3F)c2c1-c1cc(N2CCCCC2)ncc1F,CYHYKBNHTQDFGT-UHFFFAOYSA-N
-rxn:5:190742:225601:225794,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(C4(C#N)CCC4)cc3F)c2c1-c1cnc(OC2CCCCC2)nc1,AMLNGJNTVIBJKI-UHFFFAOYSA-N
-rxn:5:190742:225640:225679,CCOC(=O)c1cnc2c(C)ccc(-c3ccnc(N4CCCCC4C)c3)c2c1-c1ccc(N2CCCCC2)cc1F,RLRFZWZMVDWGLM-UHFFFAOYSA-N
-rxn:5:190742:225654:225679,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(N4CCCC(C)C4)nc3)c2c1-c1ccc(N2CCCCC2)cc1F,XFEGXCLYQKOPPY-UHFFFAOYSA-N
-rxn:5:190742:225655:225834,CCOC(=O)c1cnc2c(C)ccc(-c3cncc(N4CCC(C)CC4)c3)c2c1-c1cc(N2CCCCC2)ncc1F,OYRLVALDJZTDFE-UHFFFAOYSA-N
-rxn:5:190742:225656:225671,CCOC(=O)c1cnc2c(C)ccc(-c3cncc(N4CCCCC4C)c3)c2c1-c1cc(C2CCCCC2)ncc1F,ZKAJKULILSNNCG-UHFFFAOYSA-N
-rxn:5:190742:225784:225849,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(CN4CCOCC4)nc3)c2c1-c1cnc(N2CCCCC2)cc1F,MEHBAAYYLSJGHS-UHFFFAOYSA-N
-rxn:5:190742:226428:225833,CCOC(=O)c1cnc2c(C)ccc(-c3cc(N4CCCCC4C)cs3)c2c1-c1ccnc(N2CCCCC2)c1F,JORFCAKBRSZVLK-UHFFFAOYSA-N
-rxn:5:190742:226654:222996,CCOC(=O)c1cnc2c(C)ccc(-c3csc(N4CCC(C)CC4)n3)c2c1-c1ccc(F)cc1C1CCCNC1,HFNARFGFYKMQAU-UHFFFAOYSA-N
-rxn:5:190742:226662:225833,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(N4CCN(C)CC4)s3)c2c1-c1ccnc(N2CCCCC2)c1F,ONITVXRLOZHJCQ-UHFFFAOYSA-N
-rxn:5:190742:226662:225834,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(N4CCN(C)CC4)s3)c2c1-c1cc(N2CCCCC2)ncc1F,HYOFMLDVCXJEKM-UHFFFAOYSA-N
-rxn:5:190743:223062:225454,CCOC(=O)c1cnc2c(C)c(-c3cnc(C4CCNCC4)cc3F)ccc2c1-c1ccc(C2=CCN(C)CC2)cc1,DNFOLNBWWHHBPU-UHFFFAOYSA-N
-rxn:5:190743:223064:225454,CCOC(=O)c1cnc2c(C)c(-c3ccc(C4CCNCC4)nc3F)ccc2c1-c1ccc(C2=CCN(C)CC2)cc1,VFJNDLGCYSXJKF-UHFFFAOYSA-N
-rxn:5:190743:225640:225674,CCOC(=O)c1cnc2c(C)c(-c3ccnc(N4CCCCC4C)c3)ccc2c1-c1cnc(C2CCCCC2)cc1F,WDJDVIMJPXUVHT-UHFFFAOYSA-N
-rxn:5:190743:225674:225605,CCOC(=O)c1cnc2c(C)c(-c3cnc(C4CCCCC4)cc3F)ccc2c1-c1cc(C)cnc1OC1CCCC1,AEDTUDINSOOIKP-UHFFFAOYSA-N
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-rxn:5:190743:225976:225652,CCOC(=O)c1cnc2c(C)c(-c3ccnc(N4CCOCC4)c3F)ccc2c1-c1cncc(N2CCCC(C)C2)c1,TUVRBURQUQULQX-UHFFFAOYSA-N
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-rxn:5:190744:223056:225671,CCOC(=O)c1cnc2c(-c3ccc(N4CCC(O)CC4)nc3)c(C)ccc2c1-c1cc(C2CCCCC2)ncc1F,JBHUEPZZPUAGTA-UHFFFAOYSA-N
-rxn:5:190744:223056:225870,CCOC(=O)c1cnc2c(-c3ccc(N4CCC(O)CC4)nc3)c(C)ccc2c1-c1cc(F)cc(N2CCOCC2)c1,BKKZBSNGKXKGRI-UHFFFAOYSA-N
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-rxn:5:190744:223064:225588,CCOC(=O)c1cnc2c(-c3ccc(C4CCNCC4)nc3F)c(C)ccc2c1-c1ccccc1CN1CCSCC1,BUXWTVTVFSLLMW-UHFFFAOYSA-N
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-rxn:5:190744:225976:225639,CCOC(=O)c1cnc2c(-c3ccnc(N4CCOCC4)c3F)c(C)ccc2c1-c1cccnc1N1CCC(C)CC1,AMEAZSGBDQCWEB-UHFFFAOYSA-N
-rxn:5:190744:225976:225641,CCOC(=O)c1cnc2c(-c3ccnc(N4CCOCC4)c3F)c(C)ccc2c1-c1ccnc(N2CCCC(C)C2)c1,QXMPUIHKMQPECC-UHFFFAOYSA-N
-rxn:5:190797:226064:225451,CC(C)(C)OC(=O)n1ccc2c(-c3ccc(SC4CCCCC4)cc3)cc(-c3ccc(C4CCCCC4)cc3)cc21,VNJBNPMYWHBRIG-UHFFFAOYSA-N
-rxn:5:190832:226649:223062,CCOC(=O)c1cnc2cc(C)c(-c3cccnc3N3CCOCC3)c(C)c2c1-c1cnc(C2CCNCC2)cc1F,OVDOSAHGEOWERH-UHFFFAOYSA-N
-rxn:5:190859:225451:227824,CC(C)(C)OC(=O)N1CCc2c1ccc(-c1ccc(SC3CCCCC3)cc1)c2-c1ccc(C2CCC2)cc1,HJHSVAXSKIXCED-UHFFFAOYSA-N
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-rxn:5:190859:228214:226794,CC(C)(C)OC(=O)N1CCc2c1ccc(-c1cnc(C3CC3)cc1F)c2-c1cnc(N2CCSCC2)nc1,RESAAACCYLCCJX-UHFFFAOYSA-N
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-rxn:5:191049:227935:225437,CCc1cc(-c2ccc3c(c2)CN(c2cc(OC)c(-c4cccc(CN5CCCCC5)c4)cc2OC)C(=O)CO3)ccc1OC,ZSSPIQSEEFNKPL-UHFFFAOYSA-N
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-rxn:5:193227:223065:223061,O=C(c1cc(-c2ccc(N3CCNCC3)cc2F)cc(-c2cc(C3CCNCC3)ncc2F)c1)N1CCOCC1,HIPCZHZPDFNOQK-UHFFFAOYSA-N
-rxn:5:193229:223141:226395,O=C(c1cccc(-c2cncc(C3CCNCC3)c2)c1-c1cncc(N2CCCCC2)c1)N1CCOCC1,ZKRLPHFZSSJGNH-UHFFFAOYSA-N
-rxn:5:193331:226064:226686,Cc1cnn(C2CCCCO2)c1-c1cc(-c2ccc(C3CCCCC3)cc2)ccc1CN1CCOCC1,KFHXMYLKDSOXHM-UHFFFAOYSA-N
-rxn:5:193335:225833:225834,Fc1cnc(N2CCCCC2)cc1-c1cccc(-c2ccnc(N3CCCCC3)c2F)c1CN1CCOCC1,ZFUGCEVXALBVEX-UHFFFAOYSA-N
-rxn:5:193337:226686:223136,Cc1cnn(C2CCCCO2)c1-c1ccc(-c2ccncc2C2CCCNC2)c(CN2CCOCC2)c1,CYTJOBFHWBEFPJ-UHFFFAOYSA-N
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-rxn:5:193382:222998:223001,O=S(=O)(c1ccc(-c2cc(F)cc(C3CCCNC3)c2)cc1-c1cc(C2CCCNC2)ccc1F)N1CCOCC1,PNTUGVKOZZAMGD-UHFFFAOYSA-N
-rxn:5:193382:223058:223000,O=S(=O)(c1ccc(-c2cc(F)nc(C3CCCNC3)c2)cc1-c1ccc(C2CCCNC2)c(F)c1)N1CCOCC1,CIMDAVYAMINFJG-UHFFFAOYSA-N
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-rxn:5:193382:223137:226643,O=S(=O)(c1ccc(-c2cncc(C3CCCNC3)c2)cc1-c1ccc(N2CCOCC2)nc1)N1CCOCC1,MEVMKHVPDMYPIX-UHFFFAOYSA-N
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-rxn:5:193382:226415:226649,O=S(=O)(c1ccc(-c2ccccc2N2CCOCC2)cc1-c1cccnc1N1CCOCC1)N1CCOCC1,WRDFNYKTGMTLIH-UHFFFAOYSA-N
-rxn:5:193382:226649:225868,O=S(=O)(c1ccc(-c2cccnc2N2CCOCC2)cc1-c1ccc(N2CCOCC2)c(F)c1)N1CCOCC1,CQFCAPLKYJTWFL-UHFFFAOYSA-N
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-rxn:5:193382:226685:227803,CN(C)S(=O)(=O)n1nccc1-c1cc(-c2cnc(C3CCOCC3)nc2)ccc1S(=O)(=O)N1CCOCC1,SOLTZNBXVRWEOE-UHFFFAOYSA-N
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-rxn:5:193382:227438:225803,O=S(=O)(c1ccc(-c2ccnc(C3CCOC3)c2)cc1-c1ccnc(OC2CCOCC2)c1)N1CCOCC1,ZJMRBPLSZGEPLS-UHFFFAOYSA-N
-rxn:5:193382:228712:225976,O=S(=O)(c1ccc(-c2ccnn2C2CCC2)cc1-c1ccnc(N2CCOCC2)c1F)N1CCOCC1,KEJVPVRXIHIOHL-UHFFFAOYSA-N
-rxn:5:193460:225453:227045,CC(C)(C)Sc1cccc(-c2c(C(=O)N3CCCCC3)cccc2-c2cccc(SC3CCCCC3)c2)c1,PUDKUDSZHJDKDH-UHFFFAOYSA-N
-rxn:5:193463:225453:227592,COc1cc(F)cc(-c2cc(-c3cccc(SC4CCCCC4)c3)ccc2CN2CCC(=O)CC2)c1OC,OTTZBZYKDKTKJG-UHFFFAOYSA-N
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-rxn:5:193506:223288:227449,CNS(=O)(=O)c1cccc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3ccc(C4CCOCC4)s3)c2)c1,KYEABOKXUKYYMM-UHFFFAOYSA-N
-rxn:5:193506:223311:223148,O=C1CCN(S(=O)(=O)c2ccc(-c3cccc(C4CNC4)c3)cc2-c2ccccc2C2CNCCO2)CC1,CBUJTJMUQFKHJC-UHFFFAOYSA-N
-rxn:5:193506:223311:226661,CN1CCN(c2csc(-c3cc(-c4cccc(C5CNC5)c4)ccc3S(=O)(=O)N3CCC(=O)CC3)c2)CC1,OSFFHTDXLNLOQM-UHFFFAOYSA-N
-rxn:5:193506:226452:226330,CC(c1ccc(-c2cc(-c3ccc(C4OCCCO4)cc3)ccc2S(=O)(=O)N2CCC(=O)CC2)s1)N1CCCC1,UQMYJIZYXHEIAM-UHFFFAOYSA-N
-rxn:5:193506:226662:223147,CN1CCN(c2ccc(-c3ccc(S(=O)(=O)N4CCC(=O)CC4)c(-c4ccc(C5CNCCO5)cc4)c3)s2)CC1,KKVZDCFYBRSPEL-UHFFFAOYSA-N
-rxn:5:193506:226665:223288,CNS(=O)(=O)c1cccc(-c2cc(-c3cnc(C4CCCOC4)nc3)ccc2S(=O)(=O)N2CCC(=O)CC2)c1,ULBVXTPDJJNOBJ-UHFFFAOYSA-N
-rxn:5:193506:227654:223295,CS(=O)(=O)Nc1cncc(-c2cc(-c3ccc(C4OCCO4)nc3)ccc2S(=O)(=O)N2CCC(=O)CC2)c1,GDGWUFAZJKPJKR-UHFFFAOYSA-N
-rxn:5:193506:227972:225935,CC(C)c1cc(-c2cc(-c3cncc(C4CCC4)c3)ccc2S(=O)(=O)N2CCC(=O)CC2)cc(C(F)(F)F)n1,ZIYWBTVTLZMMGK-UHFFFAOYSA-N
-rxn:5:193539:226174:226686,Cc1cnn(C2CCCCO2)c1-c1cc(CN2CCCCC2)ccc1-c1ccc(C2CCCCC2)nc1,RZGHTYGWRKMVRB-UHFFFAOYSA-N
-rxn:5:193681:222987:227076,CCC(C)c1ccc(F)c(-c2ccc(-c3ccc(C4CCNCC4)nc3C)cc2OC2CCN(C)CC2)c1,PARHWTGHTYKHHM-UHFFFAOYSA-N
-rxn:5:193710:225462:227518,COc1ccc(-c2ccc(C=C3SC(=S)N(c4cccc(-c5cccc(N6CCC(C)CC6)c5)c4)C3=O)cc2)c(F)c1C#N,CEOALBFXAVIFQW-UHFFFAOYSA-N
-rxn:5:193748:225684:226767,COc1ccc(C(F)(F)F)c(-c2ccc(-c3ccc(C4CCOCC4)nc3C)cc2C(=O)N2CCCC(C)C2)c1,KHAANHPLGKONOB-UHFFFAOYSA-N
-rxn:5:193750:226856:227131,COc1cnc(C(F)(F)F)cc1-c1ccc(-c2cccc(C3CCOC3)c2)c(C(=O)N2CCC(C)CC2)c1,IUKNQROOKIGPNE-UHFFFAOYSA-N
-rxn:5:193752:225886:225455,Cc1ccc(N2CCCCC2)cc1-c1cc(C(=O)N2CCCC(C)C2)ccc1-c1ccc2c(ccn2S(C)(=O)=O)c1,LDXVAZXDMPQWNR-UHFFFAOYSA-N
-rxn:5:193752:227052:226058,CC1CCCN(C(=O)c2ccc(-c3ccc(SC(C)(C)C)cc3)c(-c3c(C(C)C)cccc3C(C)C)c2)C1,VMTBXPYXSQZDDE-UHFFFAOYSA-N
-rxn:5:193753:225814:225886,CC1CCCCN1C(=O)c1cc(-c2cccc(C3(C(F)(F)F)CC3)c2)cc(-c2ccc3c(ccn3S(C)(=O)=O)c2)c1,CPCDJBGEUJOXKZ-UHFFFAOYSA-N
-rxn:5:193755:223286:226062,CC1CCCN(C(=O)c2cccc(-c3cccc(NS(C)(=O)=O)c3)c2-c2cc(C(C)C)cc(C(C)C)c2)C1,TXAXPPRCSBGPLO-UHFFFAOYSA-N
-rxn:5:193755:225886:225679,CC1CCCN(C(=O)c2cccc(-c3ccc4c(ccn4S(C)(=O)=O)c3)c2-c2ccc(N3CCCCC3)cc2F)C1,LFLOEPUUOXJHMG-UHFFFAOYSA-N
-rxn:5:193755:225934:227946,CC1CCCN(C(=O)c2cccc(-c3cnc(C(F)(F)F)c(C4CC4)c3)c2-c2ccc(C(C)(C)C)nc2)C1,OQOLHIOGIIEMOY-UHFFFAOYSA-N
-rxn:5:193756:225652:227413,CC1CCCN(c2cncc(-c3ccc(C(=O)N4CCCCC4C)c(-c4cnc(C5CCC5)cc4F)c3)c2)C1,YOHPUSOFBNOZGI-UHFFFAOYSA-N
-rxn:5:193756:225656:226176,CC1CCCCN1C(=O)c1ccc(-c2cncc(N3CCCCC3C)c2)cc1-c1ccncc1C1CCCCC1,YJELPIGUISRABT-UHFFFAOYSA-N
-rxn:5:193756:225656:226611,CCc1ccc(C(F)(F)F)cc1-c1cc(-c2cncc(N3CCCCC3C)c2)ccc1C(=O)N1CCCCC1C,PZYPQTYDZSSPSY-UHFFFAOYSA-N
-rxn:5:193756:225656:227089,CC1CCCCN1C(=O)c1ccc(-c2cncc(N3CCCCC3C)c2)cc1-c1ccncc1C1CCCC1,COFGNVGUGIKTMX-UHFFFAOYSA-N
-rxn:5:193756:226842:226338,CC1CCCCN1C(=O)c1ccc(-c2cncc(C(=O)C(F)(F)F)c2)cc1-c1ccnc(OC2CCCC2)c1,WJMRQULBXKGDQA-UHFFFAOYSA-N
-rxn:5:193756:226843:226366,CC1CCCCN1C(=O)c1ccc(-c2ccc(C(=O)C(F)(F)F)nc2)cc1-c1ccnc(N2CCCCC2)c1,OOZFJJJNGOUVPG-UHFFFAOYSA-N
-rxn:5:193756:226849:225600,COc1nccc(-c2ccc(C(=O)N3CCCCC3C)c(-c3cccnc3OC3CCCCC3)c2)c1C(F)(F)F,GINPWTLZXVPHPB-UHFFFAOYSA-N
-rxn:5:193756:226849:226611,CCc1ccc(C(F)(F)F)cc1-c1cc(-c2ccnc(OC)c2C(F)(F)F)ccc1C(=O)N1CCCCC1C,DBWYNAMLMXFGMD-UHFFFAOYSA-N
-rxn:5:193756:227377:226843,CC1CCCCN1C(=O)c1ccc(-c2cncnc2C2CCCC2)cc1-c1ccc(C(=O)C(F)(F)F)nc1,HPLJNFRLCJDAOG-UHFFFAOYSA-N
-rxn:5:193756:227387:226338,CC1CCCCN1C(=O)c1ccc(-c2ccnc(N3CCCC3)c2)cc1-c1ccnc(OC2CCCC2)c1,AKTOYWYCBSZGOX-UHFFFAOYSA-N
-rxn:5:193756:227935:225453,CCc1cc(-c2ccc(C(=O)N3CCCCC3C)c(-c3cccc(SC4CCCCC4)c3)c2)ccc1OC,QPADQCMIHBWHAP-UHFFFAOYSA-N
-rxn:5:193756:227960:225806,CC1CCCCN1C(=O)c1ccc(-c2ccncc2C2CCC2)cc1-c1cnc(OC2CCCC2)cc1F,YCYHINQUCRLJFZ-UHFFFAOYSA-N
-rxn:5:193809:225453:227349,COc1cc(C)cc(-c2cc(-c3cccc(SC4CCCCC4)c3)ccc2CN2CCC(C)CC2)c1OC,VXHULUUGXLJSMP-UHFFFAOYSA-N
-rxn:5:193809:227390:226183,CC1CCN(Cc2ccc(-c3ccnn3C3CCCCC3)cc2-c2cnccc2C2CCCCC2)CC1,JENZLGLCMAFBGE-UHFFFAOYSA-N
-rxn:5:193866:226067:227561,COc1cc(F)c(-c2cc(C3(N4CCC(=O)CC4)CC3)ccc2-c2ccc(C3=CCCCC3)cc2)cc1OC,HFSRDVIGXYMEGE-UHFFFAOYSA-N
-rxn:5:193866:226319:227377,O=C1CCN(C2(c3ccc(-c4ccc(C(=O)N5CCC5)cc4)c(-c4cncnc4C4CCCC4)c3)CC2)CC1,KLFDMJQCIIYGAT-UHFFFAOYSA-N
-rxn:5:193866:227045:226150,CC(C)(C)Sc1cccc(-c2ccc(C3(N4CCC(=O)CC4)CC3)cc2-c2cccc(SC3CCCC3)c2)c1,ZRQJHCOKOMYNAN-UHFFFAOYSA-N
-rxn:5:193866:227045:227059,COc1ccc(-c2cc(C3(N4CCC(=O)CC4)CC3)ccc2-c2cccc(SC(C)(C)C)c2)cc1C(C)C,ILXAFEICHIOGRT-UHFFFAOYSA-N
-rxn:5:193866:228344:226144,C[Si](C)(C)C#Cc1ccc(-c2cc(C3(N4CCC(=O)CC4)CC3)ccc2-c2ccc(SC(F)F)cc2)cc1,XEQGDNWGMNGVOL-UHFFFAOYSA-N
-rxn:5:193867:225437:228621,CSc1cc(C)ccc1-c1cc(-c2cccc(CN3CCCCC3)c2)cc(C2(N3CCC(=O)CC3)CC2)c1,JWQQAMZITDQJNT-UHFFFAOYSA-N
-rxn:5:193867:225886:226772,COC(=O)c1cc(F)c(-c2cc(-c3ccc4c(ccn4S(C)(=O)=O)c3)cc(C3(N4CCC(=O)CC4)CC3)c2)c(F)c1,LCDZOFDECQZYLP-UHFFFAOYSA-N
-rxn:5:193868:223362:226450,C/C(=N\O)c1ccc(-c2ccc(-c3cccc(C4(C)OCCO4)c3)c(C(=O)N3CC(C)OC(C)C3)c2)cc1,VZHHCCIKXWJVHV-WEMUVCOSSA-N
-rxn:5:193869:226794:227031,Cc1cc(-c2cnc(N3CCSCC3)nc2)c(S(=O)(=O)N2CCCCC2)cc1-c1ccc(C2CC2)cc1C#N,NVRNMQLAGZKTSB-UHFFFAOYSA-N
-rxn:5:193869:226794:227036,Cc1cc(-c2cnc(N3CCSCC3)nc2)c(S(=O)(=O)N2CCCCC2)cc1-c1cc(C2CC2)ccc1C#N,WNZUQURWMGDHPB-UHFFFAOYSA-N
-rxn:5:193870:222420:223146,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cccc(C3CNCCO3)c2)cc1-c1ccccc1S(N)(=O)=O,PPIPYXWPSGHVMY-UHFFFAOYSA-N
-rxn:5:193870:225814:228808,CSc1cc(F)cc(-c2cc(-c3cccc(C4(C(F)(F)F)CC4)c3)c(C)cc2S(=O)(=O)N2CCCCC2)c1,ALARFODHGJCCCQ-UHFFFAOYSA-N
-rxn:5:193870:227909:226328,CCC(C)c1cc(-c2cc(-c3ccc(C(C)(C)C#N)c(F)c3)c(S(=O)(=O)N3CCCCC3)cc2C)ccn1,RIPOCURETFMITI-UHFFFAOYSA-N
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-rxn:5:194791:226466:227722,CN1C(=O)COc2cc(-c3ccccc3N3C(=O)C4C(c5ccc(-c6cccc(SC(F)(F)F)c6)cc5)OC5(C(=O)c6ccccc6C5=O)C4C3=O)ccc21,VGSATCVDRZSUHG-UHFFFAOYSA-N
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-rxn:5:196870:225462:226686,Cc1cnn(C2CCCCO2)c1-c1cc(-c2cccc(N3CCC(C)CC3)c2)cc(N2CCOCC2)c1,XAHXDAWZCSQVAN-UHFFFAOYSA-N
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-rxn:5:196873:225823:226898,Cc1nn(S(=O)(=O)N(C)C)cc1-c1cc(N2CCOCC2)ccc1-c1cc(C(C)C)cc(C(F)(F)F)c1,LYLYJQIXKFKZLY-UHFFFAOYSA-N
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-rxn:5:196977:226686:222981,Cc1cnn(C2CCCCO2)c1-c1ccc(N2CCCCC2)cc1-c1ccnc(NC2CCCCC2)c1,DXOUQUFEDPLEAY-UHFFFAOYSA-N
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-rxn:5:197876:225499:227052,CC(C)(C)Sc1ccc(-c2cc3c(cc2-c2ccc(C4CCCCC4)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1,HOGHDXQTZLQLAG-UHFFFAOYSA-N
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-rxn:5:197876:226058:226181,CC(C)c1cccc(C(C)C)c1-c1cc2c(cc1-c1ccc(C3=CCCCC3)nc1)C(=O)N(C(C)(C)C)S2(=O)=O,BQPKQOOZJPNXMN-UHFFFAOYSA-N
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-rxn:5:197876:227106:227048,Cc1cc(F)c(-c2cc3c(cc2-c2ccc(C(=O)C(C)C)cc2)C(=O)N(C(C)(C)C)S3(=O)=O)cc1C1CC1,UBLOQPHFOIPZMS-UHFFFAOYSA-N
-rxn:5:197876:227297:225453,CN(C)Cc1ccc(F)c(-c2cc3c(cc2-c2cccc(SC4CCCCC4)c2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,IPTLVLAPMPPDDW-UHFFFAOYSA-N
-rxn:5:197876:227413:226058,CC(C)c1cccc(C(C)C)c1-c1cc2c(cc1-c1cnc(C3CCC3)cc1F)S(=O)(=O)N(C(C)(C)C)C2=O,TULXNZYPDCTWAX-UHFFFAOYSA-N
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-rxn:5:197876:227830:226412,CC1(c2ccc(-c3cc4c(cc3-c3cc(F)cc(N5CCCC5)c3)C(=O)N(C(C)(C)C)S4(=O)=O)cc2)CC1,ZAURQYSFLGGRQM-UHFFFAOYSA-N
-rxn:5:197876:227900:226182,CC(C#N)c1ccccc1-c1cc2c(cc1-c1cccnc1C1CCCCC1)C(=O)N(C(C)(C)C)S2(=O)=O,LRUBLQUIAGCMIV-UHFFFAOYSA-N
-rxn:5:197876:227944:225814,CC(C)(C)c1cncc(-c2cc3c(cc2-c2cccc(C4(C(F)(F)F)CC4)c2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,OHMWWTYQLSMGMH-UHFFFAOYSA-N
-rxn:5:197876:227970:226190,CC(C)(C)c1cnccc1-c1cc2c(cc1-c1ccc(C3CCCC3)cc1F)C(=O)N(C(C)(C)C)S2(=O)=O,ZNDCMJIGLBZLJB-UHFFFAOYSA-N
-rxn:5:197876:228261:225440,CSc1ccc(F)c(C)c1-c1cc2c(cc1-c1ccc(C3(C#N)CCCC3)cc1)C(=O)N(C(C)(C)C)S2(=O)=O,DRDADKWXIUFJGL-UHFFFAOYSA-N
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-rxn:5:199279:225811:225584,CN1CCc2c(cc(-c3ccc(C(=O)N4CCCC4)cc3)cc2-c2ccc(C3(C(F)(F)F)CC3)cc2)C1=O,SKBAPMWLLFBDQD-UHFFFAOYSA-N
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-rxn:4:173802:225115,CCOc1c(Cl)cc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)cc1OC(C)C,IYBCJQKFUKEPHA-UHFFFAOYSA-N
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-rxn:4:178597:227072,COc1cc(C2CC2)ccc1-c1ccc(OC(=O)C2OC3OC(C)(C)OC3C3OC(C)(C)OC23)cc1,FXRXZGOLVMYYII-UHFFFAOYSA-N
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-rxn:4:178597:228931,COc1nc(F)ccc1-c1ccc(OC(=O)C2OC3OC(C)(C)OC3C3OC(C)(C)OC23)cc1,JAXPBGLZLPBFJQ-UHFFFAOYSA-N
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-rxn:4:180499:223712,COc1ccc(-c2ccc(C3CC3)cc2C2CCCOC2)cc1C12CC3CC(CC(C3)C1)C2,FDKDHEPPSQVQHD-UHFFFAOYSA-N
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-rxn:4:180815:225320,COc1ccc(-c2ccc(N3CCOCC3)c(F)c2F)cc1C12CC3CC(CC(C3)C1)C2,KKCFBQMWWAKKOD-UHFFFAOYSA-N
-rxn:4:181769:223845,CN1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2cccc(C3=CC(=O)C=CC3=O)c2)CC1,XBOLUNBDCFUVOE-UHFFFAOYSA-N
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-rxn:4:183271:223103,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc3c(c2)OCCOCCOCCOCCO3)s1,TZIXHEMAYOVBEY-UHFFFAOYSA-N
-rxn:4:183272:226330,CC(c1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCO3)s1)N1CCCC1,CVEJTOWEXQQWPP-UHFFFAOYSA-N
-rxn:4:183274:223468,c1nc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCOCCO3)c[nH]1,JTNVOLYIPPWCHG-UHFFFAOYSA-N
-rxn:4:183274:228003,CSc1cc(C)c(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCOCCO3)c(C)c1,HGNMEJRBXRHQAV-UHFFFAOYSA-N
-rxn:4:183499:223952,CCOC(=O)Cc1cc(-c2ccc(OCCN3CCN(C)CC3)c(Cl)c2)c(C#N)c(C(F)F)c1,LXEUHWKMUSABLT-UHFFFAOYSA-N
-rxn:4:183500:224621,CCOC(=O)Cc1cc(C#N)cc(-c2ccc(OCCN3CCSCC3)cc2)c1C(F)F,QITYDRHYUONRIO-UHFFFAOYSA-N
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-rxn:4:183752:223225,CCNC(=O)c1ccccc1-c1cccc(C=C2SC(=S)N(CCC(=O)OCC)C2=O)c1,FOBIPPGBJWFYNF-UHFFFAOYSA-N
-rxn:4:183818:224486,CC(C)N(C(=O)c1cccc(-c2ccccc2CN(C(=O)OC(C)(C)C)C2CC2)c1)C(C)C,VWKHZULPOGPNQF-UHFFFAOYSA-N
-rxn:4:183823:225205,Cc1cc(C(F)(F)F)c(C2CC2)cc1-c1ccc(Cl)c(CN(C(=O)OC(C)(C)C)C2CC2)c1,YFNKERCBGRVBLS-UHFFFAOYSA-N
-rxn:4:183828:222918,CC(C)(C)NS(=O)(=O)c1cccc(-c2cc(F)cc(CN(C(=O)OC(C)(C)C)C3CC3)c2)c1,WTVUZMWVJULESR-UHFFFAOYSA-N
-rxn:4:183833:224668,C#Cc1ccc(-c2cc(F)cc(N3CCN(CC)CC3)c2)cc1OC1CN(C(=O)OC(C)(C)C)C1,LBBGUJILRUFSAT-UHFFFAOYSA-N
-rxn:4:183836:223136,CCN(C(=O)COc1ccc(-c2ccncc2C2CCCNC2)cc1)C1CCS(=O)(=O)C1,GGQCBXCLUPAFSN-UHFFFAOYSA-N
-rxn:4:183871:222606,CC(C)(C)NC(=O)c1c(-c2cccc(OCC3CN(C(=O)OC(C)(C)C)C3)c2)cccc1C(F)(F)F,MKCCOGMAFASBOR-UHFFFAOYSA-N
-rxn:4:183876:222389,CC(C)(C)OC(=O)N1CC(COc2ccc(Cl)cc2-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)C1,OSTFUNQZMBHDFP-UHFFFAOYSA-N
-rxn:4:183898:225128,COC(=O)C1(c2ccc(F)c(-c3ccccc3OCCCN3CCC(OC)CC3)c2)CC1,UHNPMYFRMFONPG-UHFFFAOYSA-N
-rxn:4:183930:223098,CC(=O)NS(=O)(=O)c1ccc(-c2cc(C)ccc2CN(C(=O)OC(C)(C)C)C2CC2)cc1,ZQNPTXLBZCXENC-UHFFFAOYSA-N
-rxn:4:183934:224619,COC(=O)C1CCN(CCCc2ccccc2-c2ccc(OCCN3CCCC3)c(F)c2)CC1,GWZGEWQXYPETCF-UHFFFAOYSA-N
-rxn:4:183958:223490,Cc1ccc(-c2ccc(OCC3CCN(C(=O)OC(C)(C)C)C3)cc2)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,ZNJUZBQGWXRMPD-UHFFFAOYSA-N
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-rxn:4:187352:223904,CC(C)[Si](c1ncc(-c2cccc(C3CN(C(=O)OC(C)(C)C)C3)c2)s1)(C(C)C)C(C)C,IZAVHNVLBQUBDZ-UHFFFAOYSA-N
-rxn:4:187374:224796,CC1CCN(C(=O)CS(=O)(=O)c2cccc(-c3cncc(S(=O)(=O)OCC(C)(C)C)c3)c2)CC1,YHQVXGHHYIZXMH-UHFFFAOYSA-N
-rxn:4:187379:224587,CC1CCN(Cc2ccc(-c3ccccc3S(=O)(=O)CC(=O)N3CCC(C)CC3)cc2F)CC1,GJHLACFIRPYFSU-UHFFFAOYSA-N
-rxn:4:187388:223750,Cc1cc(CC(=O)N2CCC(C(F)(F)F)CC2)ccc1-c1ccc2cccnc2c1O[Si](C)(C)C(C)(C)C,ZPOMJBVDDYTHSJ-UHFFFAOYSA-N
-rxn:4:187411:224732,CCN(C1CCCCC1)S(=O)(=O)c1ccc(-c2ccc(S(=O)(=O)OCC(C)(C)C)cc2)cc1,VKXTWSRTQRYGGT-UHFFFAOYSA-N
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-rxn:4:187418:222918,CC(C)(C)NS(=O)(=O)c1cccc(-c2cccc(C3CCN(C(=O)OC(C)(C)C)C3)c2)c1,JBSCMTQPJOIZQL-UHFFFAOYSA-N
-rxn:4:187421:222759,Cc1cc(NC(=O)OC(C)(C)C)cc(-c2cc(C3CN(C(=O)OC(C)(C)C)C3)ccc2C)c1,CXCWGUSVHHAQTB-UHFFFAOYSA-N
-rxn:4:187428:225087,COC(=O)c1cc(-c2ccc(OCCCN(C)C)c(F)c2)ccc1CN1CCCCC1C,VHEDHKUKDMGLBE-UHFFFAOYSA-N
-rxn:4:187495:222945,CC(C)NS(=O)(=O)c1ccc(-c2ccc(C3=CCN(C(=O)OC(C)(C)C)CC3)cc2)cc1F,CCORFBCPTUOGBB-UHFFFAOYSA-N
-rxn:4:187495:226714,CC(C)(C)OC(=O)N1CC=C(c2ccc(-c3ccnn3C(=O)OC(C)(C)C)cc2)CC1,QIVWRNZTDJEITG-UHFFFAOYSA-N
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-rxn:4:187544:225200,COc1cc(-c2ccc(F)c(OC3CCCC3)c2F)cc(OC)c1CN1CCCCC1C,POCVZMHUNBTJHB-UHFFFAOYSA-N
-rxn:4:187572:223079,CC(C)NS(=O)(=O)c1cccc(-c2ccc(C3CCCN(C(=O)OC(C)(C)C)C3)cc2)c1,JDHMAMOZHVSKSI-UHFFFAOYSA-N
-rxn:4:187579:223093,CC1CN(C(=O)OC(C)(C)C)CCC1c1coc(-c2cncc(NS(=O)(=O)C(C)C)c2)c1,AFLZVKCPWFHQBX-UHFFFAOYSA-N
-rxn:4:187579:224179,CC1CN(C(=O)OC(C)(C)C)CCC1c1coc(-c2ccc(OCCN3CCN(C)CC3)cc2)c1,AMPSTSAOYGXZGA-UHFFFAOYSA-N
-rxn:4:187587:224277,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3ccnc4c3ccn4C(=O)OC(C)(C)C)cc2Cl)CC1,RTMFSHJYGIEQIK-UHFFFAOYSA-N
-rxn:4:187587:225105,CCN(CC)C(=O)c1ccc(-c2ccc(C3CCN(C(=O)OC(C)(C)C)CC3)c(Cl)c2)cc1F,KQWFVBSMCJVZIF-UHFFFAOYSA-N
-rxn:4:187598:223187,CONS(=O)(=O)c1cccc(-c2ccccc2C(=O)N2CC(S(=O)(=O)C3CCCCC3)C2)c1,KZWIWQFRBWHXNY-UHFFFAOYSA-N
-rxn:4:187627:223646,CCC1CCCCN1S(=O)(=O)c1cc(-c2ccc(OC3CCN(C(=O)OC(C)(C)C)C3)cc2)c(C)cc1OC,XKFQRIINBQDUJN-UHFFFAOYSA-N
-rxn:4:187634:222740,CC(C)c1cc(-c2ccc(N(C(=O)C3CCCCC3)C3C=CS(=O)(=O)C3)cc2)cc(C2CCCNC2)n1,WXGWURLLEARYDO-UHFFFAOYSA-N
-rxn:4:187634:222892,COc1cc(N2CCNCC2)ccc1-c1ccc(N(C(=O)C2CCCCC2)C2C=CS(=O)(=O)C2)cc1,UFKSZOOWOXNWDB-UHFFFAOYSA-N
-rxn:4:187655:223712,COc1ccc(-c2cc(CN(C)C3CCCC3)cc(C(C)(C)C)c2)cc1C12CC3CC(CC(C3)C1)C2,BOQGNLVOHCGNAF-UHFFFAOYSA-N
-rxn:4:187659:226061,CC(C)c1cc(-c2ccc(C3(C)CCN(C(=O)OC(C)(C)C)CC3)cc2)cc(C2CC2)c1,DBMCCHSIDQKDKI-UHFFFAOYSA-N
-rxn:4:187677:225390,CC(C)Cc1cc(-c2ccc(C3CC34CCN(C(=O)OC(C)(C)C)CC4)cc2)cc(C2CC2)c1,UHEDLFFXRPSDBA-UHFFFAOYSA-N
-rxn:4:187681:223181,CCNS(=O)(=O)c1cccc(-c2cc(C)cc(C3CCN(C(=O)OC(C)(C)C)CC3C)c2)c1,GLZMUOYCZWIHCT-UHFFFAOYSA-N
-rxn:4:187689:226842,O=C(c1ccc(CN2CCC3(CC2)OCCO3)cc1)c1ccc(-c2cncc(C(=O)C(F)(F)F)c2)cc1F,LAHFONVYXDRPLM-UHFFFAOYSA-N
-rxn:4:187885:223872,CCN(C(=O)c1cccc(-c2cc(F)c3c(c2)CN(Cc2ccc(OC)cc2OC)C3=O)c1)C1CCCCC1,LGPVFTDKYRGTFF-UHFFFAOYSA-N
-rxn:4:187896:222638,COc1ccc2cc(C(=O)C(C)=CN(C)C)ccc2c1-c1cccc(C(C)NC(=O)OC(C)(C)C)c1,XMZMHQPHHKLANQ-UHFFFAOYSA-N
-rxn:4:187942:223775,COc1ccc2c(c1)c(-c1cccc3c1cc([Si](C)(C)C)n3C(=O)OC(C)(C)C)cn2C(=O)OC(C)(C)C,JLOIOKOJKFGIAY-UHFFFAOYSA-N
-rxn:4:187948:224152,COc1ccc(-c2cc(-c3cncnc3)cc(C(C)(C)C)c2)c(C(=O)N2C3CCC2CC(S(C)(=O)=O)C3)c1,HUTNEMRZEBLNIR-UHFFFAOYSA-N
-rxn:4:187968:223649,CC(C)[Si](C(C)C)(C(C)C)n1ccc2cc(-c3cccc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)ccc21,XGGFWAAWQVYAFI-UHFFFAOYSA-N
-rxn:4:187969:222685,Cc1cc(F)c(NC(=O)OC(C)(C)C)cc1-c1cccc2c1ccn2[Si](C(C)C)(C(C)C)C(C)C,GASWWVVBIHNHFP-UHFFFAOYSA-N
-rxn:4:187970:224485,CC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2cn([Si](C(C)C)(C(C)C)C(C)C)c3ccccc23)c1,ZAFXDBIKAMEMCO-UHFFFAOYSA-N
-rxn:4:187971:222714,CC(C)[Si](C(C)C)(C(C)C)n1ccc2ccc(-c3cc(NC(=O)OC(C)(C)C)cc(F)c3F)cc21,HKWPQUXRNROIMJ-UHFFFAOYSA-N
-rxn:4:188002:223947,CCN(C(=O)OC(C)(C)C)c1ccc(-c2ccc(C(=O)Oc3ccc4c(c3C)OC(=Cc3cn(C)c5ccccc35)C4=O)cc2)c(F)c1,YJBXUPKUCREPGU-UHFFFAOYSA-N
-rxn:4:188014:222705,O=C(Oc1ccccc1N1C(=O)C2C3CCC(C3)C2C1=O)c1ccc(-c2cc(C3CCNCC3)cc(C(F)(F)F)c2)cc1,KZOPIMXFEUBGCB-UHFFFAOYSA-N
-rxn:4:188014:226843,O=C(Oc1ccccc1N1C(=O)C2C3CCC(C3)C2C1=O)c1ccc(-c2ccc(C(=O)C(F)(F)F)nc2)cc1,QJZPWHLFRUYTHD-UHFFFAOYSA-N
-rxn:4:188021:225359,COc1cc(-c2ccc3oc4c(c(=O)c3c2)C(c2ccc(SC)cc2)N(CC2CCCO2)C4=O)c(C(F)(F)F)cc1OC,BTEWWINNPCJQIM-UHFFFAOYSA-N
-rxn:4:188267:223498,COC(=O)c1cc(F)c(C#N)c(-c2ccc(C(=O)N3CCCN(C(=O)OC(C)(C)C)CC3)cc2)c1,WCOCLUIHEZSPIJ-UHFFFAOYSA-N
-rxn:4:189005:223786,CC(C)Oc1ncc(-c2ccc(OCCCN3CCN(C)CC3)c(Cl)c2)cc1C(F)(F)F,KDFZYHCNVUOUGG-UHFFFAOYSA-N
-rxn:4:189213:222604,COc1ccc(-c2ccc(C(=O)ON3C(=O)CCC3=O)cc2F)cc1S(=O)(=O)NC1CCCC1,ITXDYKHMOJALLY-UHFFFAOYSA-N
-rxn:4:189517:223928,CC(C)(C)OC(=O)N1CCc2ncc(-c3cc(C(F)(F)F)cc(S(=O)(=O)N4CC(F)(F)C4)c3)cc2C1,NGDBPKGZKNQOGS-UHFFFAOYSA-N
-rxn:4:189576:223536,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cc(OC4CCCC4)c([N+](=O)[O-])cc3F)cc(F)c2F)CC1,KKZWTTCTERQKJT-UHFFFAOYSA-N
-rxn:4:189576:223888,CC(C)(C)OC(=O)N1CCCc2ccc(-c3cc(OC4CCCC4)c([N+](=O)[O-])cc3F)cc21,AVJZNMMLCMOUSX-UHFFFAOYSA-N
-rxn:4:189987:223902,COc1cc(-c2ccc(OCCN3CCC(C)CC3)c(F)c2)ccc1CN1CCOCC1,VCIGDOGTUYMBSV-UHFFFAOYSA-N
-rxn:4:190019:224677,CN(C(=O)c1cccc(-c2ccc(Cl)c(C(=O)N3CCCCC3)c2)c1)C1CCS(=O)(=O)C1,ITFXDUMRTFKAOK-UHFFFAOYSA-N
-rxn:4:190020:223568,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(Cl)c(-c3ccc(C(=O)N(C)C4CCS(=O)(=O)C4)cc3)cnc21,NIWYQRXYGQVEEZ-UHFFFAOYSA-N
-rxn:4:190072:224686,O=C(c1ccc(-c2ccc(Cl)c(C(=O)N3CCCCC3C(F)(F)F)c2)c(F)c1)N1CCCCC1,JXZBDMTXSUBAEL-UHFFFAOYSA-N
-rxn:4:190111:222538,CCS(=O)(=O)N1CCCC1c1ccc(-c2cc(C3CCCC3)nc(C3CCNCC3)c2)cc1,JAKGXGMNHNGKPR-UHFFFAOYSA-N
-rxn:4:190129:222821,CC(C)(C)NS(=O)(=O)c1cc(-c2ccc(Cl)c(CCN3CCC(F)(F)CC3)c2)ccc1F,LRGRFPOIZKBFDR-UHFFFAOYSA-N
-rxn:4:190173:223487,COc1ccc(N(c2ccc(OC)cc2)c2ccc(-c3cc(S(=O)(=O)N4CCC(C(F)(F)F)CC4)c(F)cc3F)cc2)cc1,AOXDUCLRGZIAFZ-UHFFFAOYSA-N
-rxn:4:190180:227052,CC(C)(C)Sc1ccc(-c2cc(C(F)(F)F)cc(S(=O)(=O)N3CCC(F)(F)CC3)c2)cc1,ISAMBLHUDBLLKF-UHFFFAOYSA-N
-rxn:4:190181:223814,COc1ccc(-c2ccc(CN3CCC4(CC3)OCCO4)cc2F)cc1CN1CCCCC1,ZCDADAKLTQUQIT-UHFFFAOYSA-N
-rxn:4:190207:224162,CN(Cc1cc(F)cc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CC3)c1)C1CCOCC1,SIOFCJQRKJMKQX-UHFFFAOYSA-N
-rxn:4:190225:224732,COc1ccc(-c2ccc(S(=O)(=O)OCC(C)(C)C)cc2)c(CN2CCCC(F)(F)C2)c1,ADLHEHGLTIVXTD-UHFFFAOYSA-N
-rxn:4:190252:224485,CC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2ccccc2C(=O)N(C)C2CCCCC2)c1,ZPFVGTBKCUXUGV-UHFFFAOYSA-N
-rxn:4:190274:222890,COc1cc(-c2cc(C)c(S(=O)(=O)N3CCOCC3)cc2OC)cc(C2CCCNC2)n1,XMZSOWIZFJGGSA-UHFFFAOYSA-N
-rxn:4:190277:223970,Cc1cc(CC(=O)N2CCCC(F)(F)C2)ccc1-c1ccc(C)c(S(=O)(=O)N2CCC(C)CC2)c1,LMNWNSYOSWRBGC-UHFFFAOYSA-N
-rxn:4:190374:224497,CCN1CCN(Cc2ccc(-c3ccc(OC)c(S(=O)(=O)N4CCCCC4C)c3)cc2)CC1,UFJQPIQRRNBGFQ-UHFFFAOYSA-N
-rxn:4:190375:224827,COC(=O)c1ccc(OC(F)(F)F)cc1-c1ccc(OC)c(S(=O)(=O)N2CCCC(C)C2)c1,PYBQUIVZSDGRFW-UHFFFAOYSA-N
-rxn:4:190389:224421,COC1CCN(S(=O)(=O)c2cc(C)cc(-c3c(C(C)C)cc(C(C)C)cc3C(C)C)c2)CC1,ZPROOPDHNUENLZ-UHFFFAOYSA-N
-rxn:4:190426:222685,Cc1cc(F)c(NC(=O)OC(C)(C)C)cc1-c1ccc(C2CCN(S(=O)(=O)C(C)C)CC2)cc1,MQYYZYOXIRLRMJ-UHFFFAOYSA-N
-rxn:4:190426:224059,COc1c(-c2ccc(C3CCN(S(=O)(=O)C(C)C)CC3)cc2)cc(C(C)(C)C)cc1C(C)(C)C,WDSRWMXBZFJBOF-UHFFFAOYSA-N
-rxn:4:190428:222540,CC(C)(C)c1cc(CN2CCC(F)(F)C2)cc(-c2cccc(C(=O)NCCN3CCCCC3)c2)c1,DEJPESAPPHAUKO-UHFFFAOYSA-N
-rxn:4:190437:224318,CN1CCN(C(=O)c2ccc(-c3ccccc3-c3cccc(C(=O)N4CCC(F)(F)CC4)c3)cc2F)CC1,LPKFNNFIZBJBGL-UHFFFAOYSA-N
-rxn:4:190438:224329,O=C1CCN(C(=O)c2ccc(-c3ccc(C4CCN(CC5CCC5)CC4)cc3)cc2F)CC1,CAPRZNSBOZEPFL-UHFFFAOYSA-N
-rxn:4:190446:223098,CC(=O)NS(=O)(=O)c1ccc(-c2ccc(N3CCCC(C(=O)C(C)C)C3=O)cc2C)cc1,FDCDGKZNZGIQAF-UHFFFAOYSA-N
-rxn:4:190478:223893,CCN1CCN(CCOc2cccc(-c3cccc(C(=O)N4CCCCC(c5ccccc5)C4)c3)c2)CC1,BKSXNUYIXSFUHC-UHFFFAOYSA-N
-rxn:4:190485:224420,Cc1cc2c(cc1-c1cccc(C(=O)N3CCC(c4ccccc4F)S(=O)(=O)CC3)c1)C(C)(C)CCC2(C)C,BZEHMJIVOKLJGY-UHFFFAOYSA-N
-rxn:4:190493:222740,CC(C)c1cc(-c2ccccc2S(=O)(=O)N2CCC(c3ccccc3)S(=O)(=O)CC2)cc(C2CCCNC2)n1,KUOTVHIMPMAPRK-UHFFFAOYSA-N
-rxn:4:190600:223688,CCOC(=O)c1[nH]c2cc(Cl)c(F)cc2c1-c1cc(S(=O)(=O)N2CCN(CC)CC2)ccc1OC,RLYBPLMWINMCON-UHFFFAOYSA-N
-rxn:4:190865:222899,CCCCNS(=O)(=O)c1ccc(-c2ccc3c(c2)C(=O)C(=O)N3CC(=O)C(C)(C)C)cc1,RSXDDMQFHQTNAZ-UHFFFAOYSA-N
-rxn:4:190902:222598,Cc1cc(-c2cccc3c2OCCN3C(=O)OC(C)(C)C)cc(C)c1S(=O)(=O)NC1CCCC1,VJPMJPXOLWTORN-UHFFFAOYSA-N
-rxn:4:190907:222607,CS(=O)(=O)N1CCC(Nc2ccc(-c3ccc4cc(OC(=O)N5CCOCC5)ccc4c3)cc2)CC1,DLGBQVPEUAYRQW-UHFFFAOYSA-N
-rxn:4:190926:224863,CC(C)N(Cc1ccccc1-c1ccc2c(c1)N(C(=O)OC(C)(C)C)CCC2=O)C(C)C,YTHWRYWPYUOHRN-UHFFFAOYSA-N
-rxn:4:190958:224796,CC(C)(C)COS(=O)(=O)c1cncc(-c2cccc3c2N(C(=O)OC(C)(C)C)CCC3)c1,MFBRCLOLHJFBMG-UHFFFAOYSA-N
-rxn:4:190963:224751,CC(C)(C)OC(=O)N1CCc2c(cc(F)cc2-c2ccc(F)c(C(=O)N3CCOCC3)c2)C1,ASISHOAPKKZQLV-UHFFFAOYSA-N
-rxn:4:190968:224730,CC(C)COc1ccc(C(F)(F)F)cc1-c1cc2c(cc1F)CN(C(=O)OC(C)(C)C)CC2,YIIYUYNDXBQBSR-UHFFFAOYSA-N
-rxn:4:190972:225221,CC1CCCN(c2cc(-c3ccc(C(=O)N4C5CCC4CC(S(C)(=O)=O)C5)o3)c(F)cn2)C1,FNPZHTURBHOLFK-UHFFFAOYSA-N
-rxn:4:190977:222646,Cc1cc(NC(=O)OC(C)(C)C)cc(C)c1-c1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2(F)F,MAUGPYGYPCNBPK-UHFFFAOYSA-N
-rxn:4:191008:223059,CC(C)(C)OC(=O)N1C(=O)c2cc(-c3ccc(N4CCNCC4)cc3Cl)ccc2C1(C)C,USZHRLLWPUWXAI-UHFFFAOYSA-N
-rxn:4:191012:223683,COc1ccc(-c2cnc(OC3CCN(C(=O)OC(C)(C)C)C3)nc2)cc1S(=O)(=O)N1c2ccccc2CC1C,MVBIMCBMRAJDDZ-UHFFFAOYSA-N
-rxn:4:191030:223579,CC1CN(C(=O)OC(C)(C)C)CCN1c1ccc(-c2ccc3c(c2)C(C)(C)N(C(=O)OC(C)(C)C)C3)cc1,AHMMDMBGHZFZGC-UHFFFAOYSA-N
-rxn:4:191032:223098,CC(=O)NS(=O)(=O)c1ccc(-c2cc3c(s2)C(C)(C)N(C(=O)OC(C)(C)C)CC3)cc1,WCEFTQYLYAJVKF-UHFFFAOYSA-N
-rxn:4:191055:225160,CC(C)(C)OC(=O)N1Cc2ccc(-c3ccc(Cl)c(C(=O)N4CCCC4)c3)cc2C2(CC2)C1,PPUSXBAEQCBWKI-UHFFFAOYSA-N
-rxn:4:191056:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2ccc3c(c2)C(C)N(C(=O)OC(C)(C)C)CCO3)cc1,CBLDKNKIERCIRP-UHFFFAOYSA-N
-rxn:4:191062:224846,CCC1CCC(c2ccc(-c3ccccc3S(=O)(=O)N3C4CCC3CC(S(C)(=O)=O)C4)cc2)CC1,JCIYSMKQSBSAIE-UHFFFAOYSA-N
-rxn:4:191062:225617,CS(=O)(=O)C1CC2CCC(C1)N2S(=O)(=O)c1ccccc1-c1ccc(OC2CCCCO2)cc1,AWUIJHDMZKTQBY-UHFFFAOYSA-N
-rxn:4:191087:224845,CC(C)(C)OC(=O)N1CCC(C)(C)c2ccc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)cc21,FJCCPQPJZPLKNC-UHFFFAOYSA-N
-rxn:4:191089:223624,Cc1cc(C(C)(C)C)ccc1OCc1cccc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3(C)C)c1,MURNVZDXRBOKHN-UHFFFAOYSA-N
-rxn:4:191091:224566,COC(=O)C1(c2ccc(-c3cccc4c3CN(C(=O)OC(C)(C)C)CC4(C)C)cc2)CCCC1,YGYGRSSDFJRRBA-UHFFFAOYSA-N
-rxn:4:191099:222523,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc3c(c2)C(=O)C2(CCN(C(=O)OC(C)(C)C)CC2)O3)c(C(F)(F)F)c1,MFOGJLDSCZHCCJ-UHFFFAOYSA-N
-rxn:4:191122:225128,COC(=O)C1(c2ccc(F)c(-c3ccc4c(c3)C(C)=CC(C)(C)N4S(=O)(=O)c3ccc(OC)cc3)c2)CC1,UUXXSVQCBPLDIM-UHFFFAOYSA-N
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-rxn:4:202318:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(-c2nc(S(=O)(=O)c3ccc(C)cc3)c(N3CCOCC3)o2)cc1,RIOHAHJOXAGDBH-UHFFFAOYSA-N
-rxn:4:202328:223191,CNS(=O)(=O)c1ccc(-c2ccccc2S(=O)(=O)N2CCC(N3CCC(OC)CC3)CC2)cc1F,HJRKLRGUIIBELZ-UHFFFAOYSA-N
-rxn:4:202471:222545,COc1c(-c2ccc(C(C)(C)NC(=O)OC(C)(C)C)cc2)ccc2c1cnn2C(=O)OC(C)(C)C,LOTVRJPDRIPMHL-UHFFFAOYSA-N
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-rxn:4:202567:224307,CCCC(=O)N=C1SC2CS(=O)(=O)CC2N1c1ccc(-c2c(F)cc(O[Si](C)(C)C(C)(C)C)cc2F)cc1,CXLCJDHUEJLFKD-UHFFFAOYSA-N
-rxn:4:202599:226730,CCC1SC2=NC(C)=C(C(=O)OC)C(c3cccc(-c4cnc(OC5CCC5)nc4Cl)c3)N2C1=O,GDRPUCTXMXTSDZ-UHFFFAOYSA-N
-rxn:4:202620:223580,COC(=O)c1ccc2c(c1)cc(-c1ccc3c(C(C)(C)C)nn(C(=O)OC(C)(C)C)c3c1)n2C(=O)OC(C)(C)C,UMNIZJIDEFYREH-UHFFFAOYSA-N
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-rxn:4:202681:224647,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(F)c(-c3cc(O[Si](C)(C)C(C)(C)C)ccc3F)cnc21,ORYTVRJHESCCTF-UHFFFAOYSA-N
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-rxn:4:202738:224760,CCc1ccc(N2C(=O)N(Cc3ccc(-c4ccc(S(=O)(=O)N5CCCCC5)cc4)cc3F)c3ccccc3S2(=O)=O)cc1,MXIHIOXBABXMMI-UHFFFAOYSA-N
-rxn:4:202756:226558,CCCCN1C(=O)C(=C2SC(=S)N(C3CCCCC3)C2=O)c2cc(-c3ccc(F)c(OCCC)c3F)ccc21,GPDOYHDTWCZTLO-UHFFFAOYSA-N
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-rxn:4:202819:224022,COc1ccc(C2=NN3C(C2)c2cc(-c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)ccc2OC3c2ccc(C(C)C)cc2)cc1,JYHTYYZTZXPVQZ-UHFFFAOYSA-N
-rxn:4:203047:223482,CN(C)C(=S)Oc1cncc(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)c1,YVCNEZZQRUIWDF-UHFFFAOYSA-N
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-rxn:4:203566:223923,COC(=O)c1[nH]c(C2CCOCC2)nc1-c1ccc(F)c(C(=O)N(C)C2CCCCC2)c1,NLUDHHKBSDHCCW-UHFFFAOYSA-N
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-rxn:4:203758:226021,O=[N+]([O-])c1c(F)cc(-c2cc(Cl)ccc2OCC(F)(F)F)cc1N1CCC(C(F)(F)F)CC1,GTOWCTXEKUYXII-UHFFFAOYSA-N
-rxn:4:203783:224337,COc1cc(N2CCC(F)(F)CC2)c(-c2cnc(C(F)(F)F)c(C3CCCCC3)c2)cc1[N+](=O)[O-],XOWHVCJECMDWSM-UHFFFAOYSA-N
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-rxn:4:203835:223557,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc(C4=NN(S(C)(=O)=O)C(c5ccco5)C4)cc3)c(F)ccc21,YNNCUKZYOYQXBO-UHFFFAOYSA-N
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-rxn:4:203856:223904,CCN1CCN(Cc2ccc(-c3cccc(C4CN(C(=O)OC(C)(C)C)C4)c3)cc2)CC1,PAXUBCCPORBZIX-UHFFFAOYSA-N
-rxn:4:203880:224364,CC(C)COc1cc(OC(F)(F)F)cc(-c2cccc(CC3CCCN(S(C)(=O)=O)C3)n2)c1,OLVBGVNOXSDWPX-UHFFFAOYSA-N
-rxn:4:203897:224376,CCS(=O)(=O)N1CCN(c2cccc(-c3cccc(S(=O)(=O)N4CCN(C)CC4)c3)c2)CC1,WCMMXZUNNMHHQM-UHFFFAOYSA-N
-rxn:4:203921:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cccnc1OC1CCC(N(C)C)CC1,DQFJYXHIRUQMGY-UHFFFAOYSA-N
-rxn:4:203934:222826,COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cccc(S(=O)(=O)N2CCNCC2)c1,WVOLPIMZNJXEAD-UHFFFAOYSA-N
-rxn:4:203970:225189,CN(C)C1CCN(C(=O)c2cc(-c3cccc(CN4C(=O)CCC4=O)c3)ccc2F)CC1,SBDFCBNLOWKUHQ-UHFFFAOYSA-N
-rxn:4:203999:224398,Cc1cc(F)c(-c2ccc(N3CCN(CC(C)C)CC3)cc2)cc1S(=O)(=O)N1CCCC1,BDIDXBHFKIMDJB-UHFFFAOYSA-N
-rxn:4:204011:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3ccc(S(=O)(=O)N4CCC(N(C)C)CC4)cc3)cc2)CC1,GAPZUQANBOAXEJ-UHFFFAOYSA-N
-rxn:4:204012:222629,CN(C)C1CCN(S(=O)(=O)c2cccc(-c3cc(C4CCCNC4)nc(C(C)(C)C)c3)c2)CC1,AYOJVPIKRCABLP-UHFFFAOYSA-N
-rxn:4:204012:225218,CC1CCCN(c2ncc(-c3cccc(S(=O)(=O)N4CCC(N(C)C)CC4)c3)cc2Cl)C1,VQBQJEFOEHHZHJ-UHFFFAOYSA-N
-rxn:4:204018:225112,CCOc1cc(-c2ccc(CN3CCN(S(C)(=O)=O)C(C)C3)cc2)cc(Cl)c1OC(C)C,DGWQOHQGJOJZLM-UHFFFAOYSA-N
-rxn:4:204025:222442,CN1CCN(Cc2ccc(-c3ccc(S(=O)(=O)NC4CCCC4)c4ccccc34)cc2S(C)(=O)=O)CC1,LBBYEJAHWLISAI-UHFFFAOYSA-N
-rxn:4:204028:224781,C[C@H]1CN(S(C)(=O)=O)CCN1Cc1cccc(-c2ccc(C3CCCO3)c(C(F)(F)F)c2)c1,YGUFWOFFEDSSGA-NVHKAFQKSA-N
-rxn:4:204031:224842,CC(C)S(=O)(=O)N1CCN(c2ccccc2-c2ccc3c(c2)C(C)(C)CCC3(C)C)CC1,FIVLSMATLILSRS-UHFFFAOYSA-N
-rxn:4:204038:224153,CN(C)C1CCN(c2ccc(-c3cc(N4CCCC4)cc(N4CCCC4)c3)cc2C(F)(F)F)CC1,WWPNYDJCRKXBMV-UHFFFAOYSA-N
-rxn:4:204039:224496,CCN1CCN(Cc2cccc(-c3cccc(N4CCC(N(C)C)CC4)c3C(F)(F)F)c2)CC1,KDQKBEQUIFNSFB-UHFFFAOYSA-N
-rxn:4:204039:225370,COC(=O)c1cc(-c2cccc(N3CCC(N(C)C)CC3)c2C(F)(F)F)cc(C(F)(F)F)n1,LDPYUMCCJPKBKB-UHFFFAOYSA-N
-rxn:4:204060:222629,CC(C)(C)c1cc(-c2cncc(C(=O)N3CCSC(c4ccccc4Cl)CC3)c2)cc(C2CCCNC2)n1,WPHANMBGDLWADB-UHFFFAOYSA-N
-rxn:4:204060:223823,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cncc(C(=O)N4CCSC(c5ccccc5Cl)CC4)c3)cn2)CC1,KEGOHKFHZQASEN-UHFFFAOYSA-N
-rxn:4:204064:224188,Cc1cccc(C(=O)N2CCN(C(C)C)CC2)c1-c1ccc(C(=O)N(C(C)C)C(C)C)cc1Cl,VXBLOQIKUHAUPH-UHFFFAOYSA-N
-rxn:4:204097:222615,CC(C)Cc1cc(-c2ccccc2C(C)N2CCN(C(C)C)CC2)cc(C2CCNCC2)c1,YRHUVZVBPIPLID-UHFFFAOYSA-N
-rxn:4:204114:227499,CCN(C)c1cc(-c2ccc(C(=O)N3CCCN(C4CCSCC4)CC3)o2)cnc1Cl,FNENVZMDZHAUON-UHFFFAOYSA-N
-rxn:4:204115:226014,COc1ccc(S(=O)(=O)OC)cc1-c1ccccc1S(=O)(=O)N1CCCN(C2CCC2)CC1,YAZPIWSOPJHWOI-UHFFFAOYSA-N
-rxn:4:204117:223180,CONC(=O)c1ccc(-c2cccc(C(=O)N3CCCN(C4CCSC4)CC3)c2)cc1F,MPAQGLGMPFZWKA-UHFFFAOYSA-N
-rxn:4:204134:223182,CCNS(=O)(=O)c1ccc(-c2ccccc2S(=O)(=O)N2CCCN(C3CCOC3)CC2)cc1,PLABUBPJRAOORT-UHFFFAOYSA-N
-rxn:4:204146:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(CN2CCCCC2)c(N2CCCCC2)c1,CFZHMWVWHHVFTR-UHFFFAOYSA-N
-rxn:4:204159:222699,Cc1cc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c(C)cc1-c1ccc(C2CCCNC2)c(C(F)(F)F)c1,XAHMBOOTRTYWNF-UHFFFAOYSA-N
-rxn:4:204160:224283,Cc1cc(-c2cnc(OC(C)(C)C)nc2OC(C)(C)C)c(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)cc1C,BGJQQTUNKSDIAL-UHFFFAOYSA-N
-rxn:4:204161:222824,Cc1ccc(C(=O)N2C(=S)C(c3ccc(-c4cc(S(=O)(=O)NC(C)C)c(C)cc4F)cc3)=NC23CCCC3)cc1,NMXFCYGIVFUUHC-UHFFFAOYSA-N
-rxn:4:204163:225318,O=C(c1ccc(-c2c(F)cc(N3CCOCC3)cc2F)cc1)N1C(=S)C(c2ccccc2)=NC12CCCCC2,HFSRJRYKSFCVLJ-UHFFFAOYSA-N
-rxn:4:204163:225883,O=C(c1ccc(-c2cnc(C3CCOCC3)c(Cl)c2)cc1)N1C(=S)C(c2ccccc2)=NC12CCCCC2,MFUWXKRNOQJLML-UHFFFAOYSA-N
-rxn:4:204165:222771,O=C(NC1CCCC1)c1cc(-c2ccc(C3=NC4(CCCCC4)N(C(=O)c4ccc(F)cc4)C3=S)cc2)ccc1F,FETSGUCSSUKQGI-UHFFFAOYSA-N
-rxn:4:204166:226382,CC1CCCCN1Cc1ccc(-c2cnc(C3CCCCC3)nc2)cc1N1CCOCC1,CMZQFIAIASFELI-UHFFFAOYSA-N
-rxn:4:204174:222773,Cc1ccc(N2CCN(S(=O)(=O)c3cc(C)c(-c4ccc(C(=O)NC5CCOCC5)cc4)cc3C)CC2)cc1Cl,XFIHYKQJQGOUNB-UHFFFAOYSA-N
-rxn:4:204417:224168,CCN(C(=O)OC(C)(C)C)c1cccc(-c2nc3c(s2)CN(C(=O)OC(C)(C)C)C3)c1,GGZSLBFGNDOVMW-UHFFFAOYSA-N
-rxn:4:204496:222797,Cc1ccc(S(=O)(=O)NC(C)(C)C)c(-c2nc3c(s2)C(=O)CN(C(=O)OC(C)(C)C)C3)c1,UBDDMSRWNYQOKP-UHFFFAOYSA-N
-rxn:4:204509:224082,CCC(C(=O)OC(C)(C)C)c1cccc(-c2nc3c(s2)CCN(C(=O)OC(C)(C)C)C3)c1,IJJWBRTWSVLDTK-UHFFFAOYSA-N
-rxn:4:204568:223823,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cc(Cl)c4cccnc4c3OC(=O)N3CCOCC3)cn2)CC1,KIFNGASTSAKKJV-UHFFFAOYSA-N
-rxn:4:204572:224485,CC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2ccc3n2CCN(C(=O)OC(C)(C)C)C3)c1,LLSOKCIEWKFPHJ-UHFFFAOYSA-N
-rxn:4:204665:223489,Cc1sc2nc(SCc3cccc(-c4ccc(S(=O)(=O)N5CCC(O[Si](C)(C)C(C)(C)C)CC5)cc4)c3)n(C)c(=O)c2c1C,LZGCVYAQQORCOD-UHFFFAOYSA-N
-rxn:4:204681:223542,CN1CCN(S(=O)(=O)c2cc(-c3ccc4c(n3)N(C(=O)OC(C)(C)C)CC4(C)C)ccc2OC(F)(F)F)CC1,ZPNRTISKUGVOGW-UHFFFAOYSA-N
-rxn:4:204682:224082,CCC(C(=O)OC(C)(C)C)c1cccc(-c2nc(C)cc3c2CN(C(=O)OC(C)(C)C)CC3)c1,OVMAAQBGNIQYQZ-UHFFFAOYSA-N
-rxn:4:204700:222432,O=C(c1ccc(-c2ccc(S(=O)(=O)NC3CCCCC3)c3ccccc23)o1)N1CC(N2C(=O)C3CC=CCC3C2=O)C1,IBIIBXWFQJSLNE-UHFFFAOYSA-N
-rxn:4:204753:225203,Cc1cc(C2CC2)c(C(F)(F)F)cc1-c1ccc(N2C(=NC(=O)c3ccccc3)SC3CS(=O)(=O)CC32)cc1,XBMXNSXVBORAPJ-UHFFFAOYSA-N
-rxn:4:204764:224916,Cc1cc(N2CCCC(C)C2)ccc1-c1ccc(S(=O)(=O)N2CC(N3C(=O)C4CC=CCC4C3=O)C2)cc1,UBSSKWSTQLRVMO-UHFFFAOYSA-N
-rxn:4:204764:226547,COC(=O)c1cc(-c2ccc(S(=O)(=O)N3CC(N4C(=O)C5CC=CCC5C4=O)C3)cc2)ccc1OC,RNZVSBISSFGKKA-UHFFFAOYSA-N
-rxn:4:204780:226340,N#Cc1cc(-c2ccc(S(=O)(=O)N3CC(N4CC5CCCC5C4)C3)cc2)c(Cl)c(C2CC2)c1,OVYIYDWFNNVURR-UHFFFAOYSA-N
-rxn:4:204797:222519,CC(C)(C)OC(=O)Nc1ccc(C(F)(F)F)cc1-c1cccc(N2C=C(C(=O)N3CCCC3)S(=O)(=O)c3ccc(Cl)cc32)c1,KXWYVYSDLXPWFH-UHFFFAOYSA-N
-rxn:4:204816:227368,CCN1C(=O)C(=C2SC(=S)N(C(C)c3ccccc3)C2=O)c2cc(-c3ccc(Cl)c(OC4CC4)c3)ccc21,CQSAEYYJIHCUPZ-UHFFFAOYSA-N
-rxn:4:204955:222887,COc1ccc(C2=NN3C(C2)c2cc(-c4cccc(C(=O)N5CCNCC5)c4)ccc2OC3C2CCCCC2)cc1,WSGBEGYGXIPBPK-UHFFFAOYSA-N
-rxn:4:206342:223669,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cccc(C(=O)N4CCSCC4)n3)cn2)CC1,PVYRNTJOYRFEOU-UHFFFAOYSA-N
-rxn:4:206357:223592,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccncc3C(=O)N3CCSCC3)c(Cl)c2)CC1,SNAJEZWKDNWGOF-UHFFFAOYSA-N
-rxn:4:206545:224677,O=C(c1cc(-c2c(C(F)(F)F)cc(N3CCOCC3)nc2Cl)ccc1Cl)N1CCCCC1,ZSAPPNIMLGETCO-UHFFFAOYSA-N
-rxn:4:206610:223532,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)cc(-c3cnc(F)c(C(=O)N4CCCCC4)c3)c2)CC1,YYKYTFVITDDTMR-UHFFFAOYSA-N
-rxn:4:206652:223598,O=C(c1ncc(-c2ccc(OCCN3CCC4(CC3)OCCO4)c(F)c2)cc1Cl)N1CCCC(F)(F)C1,HLJWKJJYTDLCAL-UHFFFAOYSA-N
-rxn:4:206709:223491,CC(C)(C)OC(=O)N1CCN(c2cc(-c3ccc(S(=O)(=O)N4CCCCC4)nc3)cc(C(F)(F)F)c2)CC1,SMOZMUCMKXEPIX-UHFFFAOYSA-N
-rxn:4:206714:223838,CN(C)S(=O)(=O)N1CCN(c2ccc(-c3ccc(C4CCCN4S(C)(=O)=O)nc3)cc2)CC1,CWDHOIWDGHQNTH-UHFFFAOYSA-N
-rxn:4:206718:223697,Cc1cc(C(=O)N2CCOCC2)ncc1-c1ccc(S(=O)(=O)N2CCCCC2)cc1C(F)(F)F,RDIOCBAACHOBSL-UHFFFAOYSA-N
-rxn:4:206752:222799,Cc1cc(-c2cc([N+](=O)[O-])ccc2N2CCC(F)(F)CC2)ccc1S(=O)(=O)NC(C)(C)C,SGBGMLUNLGEILJ-UHFFFAOYSA-N
-rxn:4:206784:222465,CN(c1ccc(-c2cc(C3CCCCC3)nc(C3CCCNC3)c2)cn1)C1CCOCC1,ATIPCNDRPZCCNE-UHFFFAOYSA-N
-rxn:4:206858:223916,CC1CCCN(c2cc(-c3ccc(C(=O)N4CCN(C(C)C)CC4)cc3)ccc2C#N)C1,QOYVANJSRNFIIG-UHFFFAOYSA-N
-rxn:4:206873:224770,Cc1cc(-c2cc(F)c(Cl)cc2C(=O)N2CCN(C)CC2)cc(S(=O)(=O)N2CCCC2)c1,AELLVXGBVXHDDP-UHFFFAOYSA-N
-rxn:4:206915:222465,CC1CCN(Cc2ncccc2-c2cc(C3CCCCC3)nc(C3CCCNC3)c2)CC1,AOLZLUCBLATGSZ-UHFFFAOYSA-N
-rxn:4:206985:223695,CN1CCN(c2ccc(-c3cccc(S(=O)(=O)N4CCC5(CC4)OCCO5)c3)cc2C(F)(F)F)CC1,PYPUFJWMWZBTOP-UHFFFAOYSA-N
-rxn:4:206992:224320,Cc1ccc(S(=O)(=O)N2CCCCC2)cc1-c1cncc(C(=O)N2CCC3(CC2)CC3(F)F)c1,TZYGVCPIAWMXDX-UHFFFAOYSA-N
-rxn:4:207045:223830,CCN1CCN(S(=O)(=O)c2cc(-c3cnc(N(C)C4CCCCC4)c(C)c3)ccc2C)CC1,HAVGTDZURZQAQD-UHFFFAOYSA-N
-rxn:4:207057:224819,Cc1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1S(=O)(=O)N1CCN(C)CC1,LJNCKKXDXBSVBY-UHFFFAOYSA-N
-rxn:4:207059:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C,FRLGQXWOMCCVFV-UHFFFAOYSA-N
-rxn:4:207064:224374,COc1ccc(S(=O)(=O)N2CCCC2)cc1-c1cc(C)c(Cl)cc1S(=O)(=O)N1CCN(C)CC1,QBSYBHPMPLYYGG-UHFFFAOYSA-N
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-rxn:4:213242:222742,O=[N+]([O-])c1cccc(C2CC(c3ccc(-c4cc(C5CCNCC5)nc(C5CC5)c4)cc3)=NN2S(=O)(=O)c2ccccc2)c1,STLKHEPIJSFXMA-UHFFFAOYSA-N
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-rxn:4:213259:222912,CC(C)CNS(=O)(=O)c1ccc(-c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)C(C)(C)C3)cn2)cc1,TVMISQXUVRBBRK-UHFFFAOYSA-N
-rxn:4:213261:224203,COc1cc(C(=O)N2CCCCC2)ccc1-c1ccc(CN2CCN(CC(F)(F)F)CC2)c(N2CCOCC2)c1,QGRRPSYYZINRRP-UHFFFAOYSA-N
-rxn:4:213263:222389,CN(C)c1ccc(C(=S)N2CCN(C(=S)c3cccc(-c4cc(C5CCNCC5)nc(C5CCNCC5)c4)c3)CC2)cc1,YESAFVWRPUCQAS-UHFFFAOYSA-N
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-rxn:4:213266:228311,CCCc1ncc(-c2cc(C(=O)OC(C)(C)C)cc(N3CCN(C(C)C)CC3)n2)c(Cl)n1,ZTKANQCEOHWEBP-UHFFFAOYSA-N
-rxn:4:213268:224891,C[C@H]1C[C@@H](c2nc(-c3ccc(-c4cc(N5CCCC5)ccc4C4CC4)cc3)c[nH]2)N(C(=O)OC(C)(C)C)C1,RHJKUPVYIXHPPV-LGGPFLRQSA-N
-rxn:4:213269:222975,COc1ccc(-c2ccc(C(=O)NC3CC3)cc2C)c(C(=O)N2CCC(n3nc(C4CC4)ccc3=O)CC2)c1,UKNGYOMHXACNEA-UHFFFAOYSA-N
-rxn:4:213278:222524,COc1cccc(-c2noc(C3CCCN(S(=O)(=O)c4ccc(-c5cc(F)c(F)cc5S(=O)(=O)N5CCC(O)CC5)cc4)C3)n2)c1,COCONKLZTCWNEL-UHFFFAOYSA-N
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-rxn:4:213372:222616,CC(C)(C)c1cc(-c2cccnc2OC2CCN(C(=O)Cn3ccc4ccccc43)CC2)cc(C2CCNCC2)c1,CHMYMKULSMNOIV-UHFFFAOYSA-N
-rxn:4:213380:225565,O=C(CSc1nc2c(c(=O)n1-c1ccc(-c3cccc(OCC4CCCO4)c3)cc1)SCC2)N1CCCCC1,PMXVKDSANOBJAP-UHFFFAOYSA-N
-rxn:4:213388:223692,CC(C)(C)OC(=O)N1CCC(Cn2ccc3c(-c4cc(OCc5cccnc5)c(Cl)cc4C(F)(F)F)ccnc32)CC1,WXSUQUXLRZTGKM-UHFFFAOYSA-N
-rxn:4:213392:222860,CCCCNC(=O)c1ccc(F)c(-c2cnc(OCC3CCCN(Cc4ccc5c(c4)OCCO5)C3)nc2)c1,ABPPCSUIKBBVDT-UHFFFAOYSA-N
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-rxn:4:213395:226025,O=C(Cn1ccc2ccc(-c3cnc(OC4CCOC4)nc3Cl)cc21)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1,KMQMNFVHQKUGBE-UHFFFAOYSA-N
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-rxn:4:213723:223812,CCN1CCN(C(=O)Cc2cncc(-c3cc(F)cc(CN4CCC5(CC4)OCCO5)c3)c2)CC1,FGBMVNXUCAWPOH-UHFFFAOYSA-N
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-rxn:4:213881:222843,Cc1ccc(-c2cnc(C3CCN(C(=O)OC(C)(C)C)CC3)cn2)c(C(=O)NC(C)(C)C)c1,JJXFSFJEIKWPCD-UHFFFAOYSA-N
-rxn:4:213893:225998,COC(=O)c1cc(-c2cncc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)cc([N+](=O)[O-])c1,GPEMRTKHFWZSBO-UHFFFAOYSA-N
-rxn:4:213894:225898,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnn(CCN4CCOCC4)c3)cn2)CC1,YSDRWWGKNSGTSY-UHFFFAOYSA-N
-rxn:4:213900:223999,CC1CCN(S(=O)(=O)c2ccc(F)c(-c3cnc(C4CCCN(C(=O)OC(C)(C)C)C4)nc3)c2)CC1,QTJFSEXNFIQYRI-UHFFFAOYSA-N
-rxn:4:213904:222465,O=C(c1cncc(-c2cc(C3CCCCC3)nc(C3CCCNC3)c2)c1)N1CCN(Cc2ccccc2)CC1,TXEIZRUXUBCLRZ-UHFFFAOYSA-N
-rxn:4:213923:222711,COc1ccc(-c2ccc([N+](=O)[O-])c(N3CCN(Cc4ccccc4)CC3)c2)cc1S(=O)(=O)NC(C)(C)C,DDWJFIBDAOOSFU-UHFFFAOYSA-N
-rxn:4:213932:223670,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2cnc(N3CCOC(C(=O)N4CCCC4)C3)c(C(F)(F)F)c2)CC1,YTEFBMJMRPMRHJ-UHFFFAOYSA-N
-rxn:4:213937:224742,COc1cc(N2CCN(S(=O)(=O)c3ccccc3-c3cc(C4OCCO4)c(OC)cc3OC)CC2=O)ccn1,HOYHRAXZDCBHRV-UHFFFAOYSA-N
-rxn:4:213944:222912,CC(C)CNS(=O)(=O)c1ccc(-c2cnc(C3CCN(C(=O)OC(C)(C)C)CC3C)[nH]2)cc1,ZDDSWOCCDIYWHG-UHFFFAOYSA-N
-rxn:4:213955:223881,Cc1ccc2cc(-c3cnc(OC4CCN(C(=O)C5CC=CCC5)CC4)nc3)n(C(=O)OC(C)(C)C)c2c1,JZTBHLSRZSXMBN-UHFFFAOYSA-N
-rxn:4:213967:224182,Cc1cc(-c2cccnc2OC2CCN(C(=O)c3cccn(C)c3=O)CC2)ccc1OCCN1CCOCC1,HSSXAHZBTHUYJR-UHFFFAOYSA-N
-rxn:4:213972:224759,O=C(c1cc(F)cc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)c(C(F)(F)F)c2)c1)N1CCOCC1,KQVZZMHEDGYQPM-UHFFFAOYSA-N
-rxn:4:213972:227249,CCCOc1ccc(Cl)c(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)c(C(F)(F)F)c2)c1,GTINGFJMIBADRI-UHFFFAOYSA-N
-rxn:4:213974:222787,CC(C)(C)OC(=O)Nc1ccc(-c2cccc(N3CCCN(C(=O)OC(C)(C)C)CC3)n2)c(Cl)c1,VEQVWUGRSXXNMG-UHFFFAOYSA-N
-rxn:4:213990:225286,Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1-c1cc(F)ncc1C(=O)OC(C)(C)C,RDFMMWQHSOYIAT-UHFFFAOYSA-N
-rxn:4:213991:223606,O=S(=O)(c1ccc(-c2cnc(OC3CCN(CC4CCCOC4)CC3)nc2)cc1F)N1CCC2(CC1)OCCO2,NGSUEWJQCUAVSW-UHFFFAOYSA-N
-rxn:4:214006:222622,CCC(C)c1cc(-c2ccc(OC)cc2C(=O)N2CCCC(c3cnn(C)c3)C2)cc(C2CCCNC2)n1,UJYDKYXMKALNSH-UHFFFAOYSA-N
-rxn:4:214011:223001,Cc1nn(S(=O)(=O)c2ccc(-c3cc(C4CCCNC4)ccc3F)cc2)c(C)c1S(=O)(=O)N1CCCC1,GOFOQGXUEHVCRT-UHFFFAOYSA-N
-rxn:4:214026:229143,O=C(C1CCCN(c2ncc(C(F)(F)F)cc2-c2ccc(F)c(Cl)c2)C1)N1CCOCC1,ZLNNWUJGENGJBH-UHFFFAOYSA-N
-rxn:4:214027:227246,CCCOc1cccc(-c2cnc(N3CCCC(C(=O)N4CCOCC4)C3)c(C(F)(F)F)c2)c1F,LTIJWOXSDZQOEJ-UHFFFAOYSA-N
-rxn:4:214028:225518,CCCCCOc1ncc(C)cc1-c1cc(C(F)(F)F)cnc1N1CCOC(C(=O)N2CCCCC2)C1,XHLGOXINDUFXGL-UHFFFAOYSA-N
-rxn:4:214033:225653,CC(C)[C@H]1COC(c2cc(-c3ccc(N4CCCCC4C)nc3)cc(C3=N[C@@H](C(C)C)CO3)n2)=N1,JJZUCZNBKQSVFQ-UCAJRPBESA-N
-rxn:4:214033:228292,CC(C)[C@H]1COC(c2cc(-c3ccnc4c3OCCO4)cc(C3=N[C@@H](C(C)C)CO3)n2)=N1,BIXBKDNSYBCBMN-WOJBJXKFSA-N
-rxn:4:214067:222699,Cc1ccc(S(=O)(=O)N2CCC(c3nc(-c4ccc(-c5ccc(C6CCCNC6)c(C(F)(F)F)c5)cc4)no3)CC2)cc1,AWELYGHOPOEQSN-UHFFFAOYSA-N
-rxn:4:214159:223958,CCN1CCN(C(=O)c2ccc(-c3cccc(CSc4nc5c(cc4C#N)CN(C)CC5)c3)cc2F)CC1,MTIFTYNYRIIOCR-UHFFFAOYSA-N
-rxn:4:214181:223812,CCCC(=O)N1CCN(c2nc3ccc(-c4cc(F)cc(CN5CCC6(CC5)OCCO6)c4)cc3s2)CC1,BEIICOLBUZNUKV-UHFFFAOYSA-N
-rxn:4:214235:224800,CC(C)Oc1cc(-c2ccc(CC(=O)N3C4CCC3CC(n3ccnc3)C4)cc2)ccc1OC(F)(F)F,PHRQSCAGNXDXDD-UHFFFAOYSA-N
-rxn:4:214293:224969,Cc1cc(-c2c3c(nn2-c2c(C)cccc2C)CN(C(=O)OC(C)(C)C)C3)ccc1C(=O)OC(C)(C)C,XTROVUOLQODEOA-UHFFFAOYSA-N
-rxn:4:214338:223069,CCCS(=O)(=O)Nc1cccc(-c2cccc3c2n(C)c(=O)n3C2CCC(=O)N(Cc3ccc(OC)cc3)C2=O)c1,ZYVJYWAKKUZACH-UHFFFAOYSA-N
-rxn:4:214389:224727,COC(=O)c1cc(-c2ccc3c(c2)C2(C(=O)N3CCC(C)C)c3[nH]c4ccccc4c3CCN2C(C)=O)cc(OC(C)(C)C)n1,OTBAESWPASOPAH-UHFFFAOYSA-N
-rxn:4:214597:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3ccc(C(=O)N4CCC(c5ncon5)C4)o3)c2Cl)CC1,NRWHCQQMMIGPBL-UHFFFAOYSA-N
-rxn:4:214609:223670,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2cncc(C(=O)N3CCC(C#N)CC3)c2)CC1,KPTPPPCNRSLZJY-UHFFFAOYSA-N
-rxn:4:214630:222722,O=C(c1[nH]nc(C2CC2)c1-c1cccc(S(=O)(=O)N2CCC(O)CC2)c1)N1CCOCC1,PNCNDICWBPBQEL-UHFFFAOYSA-N
-rxn:4:214676:223754,CC1CCN(CCCOc2ccc(-c3cncc(CC(=O)N4CCN(C)CC4)c3)cc2Cl)CC1,RPAFNSLKVDVTIK-UHFFFAOYSA-N
-rxn:4:214678:224718,CCN1CCN(C(=O)c2cc(-c3ccc(OCCN4CCOCC4)nc3)cnc2Cl)CC1,BRUPGHMPUIWDJX-UHFFFAOYSA-N
-rxn:4:214698:223835,CCCc1nc(N2CCN(C)CC2)sc1-c1cc(S(=O)(=O)N2CCC(C)CC2)c(C)cc1F,RJQZZAWJDBLSMU-UHFFFAOYSA-N
-rxn:4:214709:222819,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc(NC(=O)N4CCOCC4)nc3)cn2)CC1,XFHMWTDYRJEONG-UHFFFAOYSA-N
-rxn:4:214772:222607,CS(=O)(=O)N1CCCC(Cc2cnc(-c3ccc(NC4CCN(S(C)(=O)=O)CC4)cc3)cn2)CC1,PZVHBMSNMBKQMC-UHFFFAOYSA-N
-rxn:4:214820:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cnc(N4CCOC(C(=O)N5CCCC5)C4)c(F)c3)ccn2)CC1,GHDMILOZALLLMH-UHFFFAOYSA-N
-rxn:4:214830:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(N4CCOC(C(=O)N5CCSCC5)C4)nc3)c(F)c2)CC1,SETZQDCPBMDVRJ-RSSXGHEXSA-N
-rxn:4:214830:225093,CCCOc1c(Cl)cc(-c2ccc(N3CCOC(C(=O)N4CCSCC4)C3)nc2)cc1OCC,NUJOFNIMWZHSGM-UHFFFAOYSA-N
-rxn:4:214835:222634,O=C(C1CN(c2ncc(Cl)cc2-c2ccc(OCCNC3CCCC3)c(F)c2)CCO1)N1CCOCC1,CUFZZVBFIWNQPE-UHFFFAOYSA-N
-rxn:4:214836:225760,CCN(C)C(=O)c1ccc(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCSCC3)C2)c(F)c1,COKRLDKQCOLROI-UHFFFAOYSA-N
-rxn:4:214839:224396,Cc1cc(-c2cnc(N3CCOC(C(=O)N4CCSCC4)C3)c(F)c2)ccc1S(=O)(=O)N1CCOCC1,IKMQDTUNAQIAJS-UHFFFAOYSA-N
-rxn:4:214839:226088,CCN(CC)Cc1ccc(-c2cnc(N3CCOC(C(=O)N4CCSCC4)C3)c(F)c2)cc1,ZMMIFOKEJAAJFN-UHFFFAOYSA-N
-rxn:4:214859:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1ccc(S(=O)(=O)N2CCCC(c3ccn(C)n3)C2)cc1,MLKSPUIQMIRTRV-UHFFFAOYSA-N
-rxn:4:214862:222952,O=C(c1cncc(-c2cccc(NC(=O)C(F)(F)F)c2F)c1)N1CCCN(C2CCSC2)CC1,DUPJSVLADGPKPV-UHFFFAOYSA-N
-rxn:4:214862:224569,O=C(c1cncc(-c2cc(F)cc(OCC3CCCCC3)c2)c1)N1CCCN(C2CCSC2)CC1,MAPNACRFIUBLOZ-UHFFFAOYSA-N
-rxn:4:214867:223676,Cc1cc(-c2cc(OCc3ccccc3)cc(C(F)(F)F)c2F)cnc1N1CCOC(C(=O)N2CCCC2)C1,YEHNKASHKQEGQU-UHFFFAOYSA-N
-rxn:4:214868:225093,CCCOc1c(Cl)cc(-c2cccnc2N2CCOC(C(=O)N3CCCCC3)C2)cc1OCC,PIDGFRLCMMZUPN-UHFFFAOYSA-N
-rxn:4:214871:227464,CCCCSc1ncc(-c2cnc(N3CCCC(C(=O)N4CCOCC4)C3)c(Cl)c2)cn1,ZKBRUNVVXXOPRS-UHFFFAOYSA-N
-rxn:4:214874:227252,CCCOc1cc(-c2cnc(N3CCOC(C(=O)N4CCCCC4)C3)c(F)c2)ccc1Cl,JJXURCDEPLDWCO-UHFFFAOYSA-N
-rxn:4:214882:224133,Cc1ccc(OCc2ccc(F)cc2)c(-c2ccc(N3CCC(C(=O)N4CCC(F)(F)CC4)CC3)nc2)c1,SUTZCTWLMJEYKI-UHFFFAOYSA-N
-rxn:4:215054:224719,CC(C)c1nn(C(=O)OC(C)(C)C)cc1-c1ncn2c1CCN(C(=O)OC(C)(C)C)C2=O,PARXYWNEAMPCGW-UHFFFAOYSA-N
-rxn:4:215061:224301,CC(C)(C)OC(=O)N1CCc2[nH]nc(-c3cc(O[Si](C)(C)C(C)(C)C)cc(F)c3F)c2C1,ZVKPAXQDSSBPHM-UHFFFAOYSA-N
-rxn:4:215066:222825,CC(C)(C)NS(=O)(=O)c1ccc(Cl)cc1-c1cnn2c1N(C(=O)OC(C)(C)C)CCC2,NHEBBDDREWDDIB-UHFFFAOYSA-N
-rxn:4:215075:224801,CCCOc1cc(-c2cnn(C3CC4CCC(C3)N4CC(F)(F)F)c2)cc(C(F)(F)F)c1F,YKRNDSMZXBVEFG-UHFFFAOYSA-N
-rxn:4:215097:223898,CC(C)N(C(=O)OC(C)(C)C)c1ccc(-c2ncc3n2C(C)CN(C(=O)OC(C)(C)C)C3)cc1,YZPRWUWJPVRKEP-UHFFFAOYSA-N
-rxn:4:215106:222545,Cc1nn2c(c1-c1ccc(C(C)(C)NC(=O)OC(C)(C)C)cc1)CN(C(=O)OC(C)(C)C)CC2,PNVQFMREFBOGLD-UHFFFAOYSA-N
-rxn:4:215153:223994,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1ccc(CN2CCC3CN(c4ccccn4)CC32)o1,HZHQNGVLDJPSDG-UHFFFAOYSA-N
-rxn:4:215189:222919,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc3nc(N4CCN(C(=O)C(C)(C)C)CC4)sc3c2)cc1,WUKSRZDFMPRYEJ-UHFFFAOYSA-N
-rxn:4:215192:223595,CCn1c(C2CC(=O)N(c3ccccc3-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)c(F)c3)C2)nc2ccccc21,LHZZIVVDBQECNJ-UHFFFAOYSA-N
-rxn:4:215219:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3ccc4ccc(N5CCOC(C(=O)N6CCOCC6)C5)nc4c3)c2Cl)CC1,XBCHLBDIMDJRIW-UHFFFAOYSA-N
-rxn:4:215304:222538,Cc1ccc(C2=NN3C(C2)c2cc(-c4cc(C5CCCC5)nc(C5CCNCC5)c4)ccc2OC32CCN(Cc3ccccc3)CC2)cc1,ISXFOMOHFXAYPG-UHFFFAOYSA-N
-rxn:4:215304:223084,Cc1ccc(C2=NN3C(C2)c2cc(-c4cnc(N5CCC(O)CC5)nc4)ccc2OC32CCN(Cc3ccccc3)CC2)cc1,UIJJKQTXESSWAY-UHFFFAOYSA-N
-rxn:4:215851:223776,CC(C)(C)OC(=O)N1CCOc2ccc(-c3nc(C4CC4)cc(N4CCOCC4)n3)cc2C1,CUBNLUHOVVDUIS-UHFFFAOYSA-N
-rxn:4:215877:222466,CCN1CCN(c2cncc(-c3cc(C4CCCCC4)nc(C4CCNCC4)c3)c2)CC1,SVIJKGJYHCLDNX-UHFFFAOYSA-N
-rxn:4:215886:224307,CC1CCN(c2ncc(-c3c(F)cc(O[Si](C)(C)C(C)(C)C)cc3F)cc2[N+](=O)[O-])CC1,YFUZMHDZJXKIMC-UHFFFAOYSA-N
-rxn:4:215922:223832,COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1-c1c(C(=O)N2CCCCC2C)cnn1C,FOSURYDOTOKWDE-UHFFFAOYSA-N
-rxn:4:215990:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(N2CCN(C3CCN(C)CC3)CC2)cc1,ULOCVEXTYFGKDD-UHFFFAOYSA-N
-rxn:4:216267:225123,Cn1ncc(C(=O)N2CCCC3CCCCC32)c1-c1ccncc1OCC1CCCCO1,IAHKFVRGHTWPCD-UHFFFAOYSA-N
-rxn:4:217087:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cnc(Cl)nc3N3CCOCC3)ccn2)CC1,ISQDYFIUSDUGQQ-UHFFFAOYSA-N
-rxn:4:217839:223540,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1ccc2[nH]nc(N3CCOCC3)c2c1,VBRHIPOOCUHTOX-UHFFFAOYSA-N
-rxn:4:217905:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1ccc2c(c1)C1CC(c3ccc(C)o3)=NN1C1(CCN(C)CC1)O2,UCYRSUPDXIFMMD-UHFFFAOYSA-N
-rxn:4:217905:223523,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc4c(c3)C3CC(c5ccc(C)o5)=NN3C3(CCN(C)CC3)O4)c3ccccc23)CC1,FKAQLXZHFLXDPO-UHFFFAOYSA-N
-rxn:4:217905:226064,Cc1ccc(C2=NN3C(C2)c2cc(-c4ccc(C5CCCCC5)cc4)ccc2OC32CCN(C)CC2)o1,XVEUMGPOMFIQKC-UHFFFAOYSA-N
-rxn:4:218551:223766,CN(Cc1nn(C)c(C#N)c1-c1cc2cc(C#N)ccc2n1C(=O)OC(C)(C)C)C(=O)OC(C)(C)C,XPEUNESMJLTBTD-UHFFFAOYSA-N
-rxn:4:218557:224056,CCC[C@H]1CC[C@H](c2ccc(-c3ccc(OC)c(CCC(=O)N4CC(n5ccnn5)C4)c3)c(F)c2)CC1,ZNFDQDLELFRMFE-HZCBDIJESA-N
-rxn:4:218581:224370,CC(C)OC(=O)c1ccc(C(F)(F)F)cc1-c1cnc(OCC2CCN(C(=O)Cc3cccnc3)CC2)nc1,WMBSIBRXAHKWAK-UHFFFAOYSA-N
-rxn:4:218587:225597,N#Cc1ccc(S(=O)(=O)N2CCC(COc3ncc(-c4ccc(OC5CCCCC5)nc4)cn3)CC2)cc1,UFRIGQOJBOXWRJ-UHFFFAOYSA-N
-rxn:4:218587:225633,N#Cc1ccc(S(=O)(=O)N2CCC(COc3ncc(-c4ccc(N5CCCCCC5)nc4)cn3)CC2)cc1,VTMLGAKTHGHTDE-UHFFFAOYSA-N
-rxn:4:218587:225794,N#Cc1ccc(S(=O)(=O)N2CCC(COc3ncc(-c4cnc(OC5CCCCC5)nc4)cn3)CC2)cc1,SQTBGQNTMUZRAH-UHFFFAOYSA-N
-rxn:4:218620:223532,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)cc(-c3cnc(OCC4CCCN(Cc5csc(C6CC6)n5)C4)nc3)c2)CC1,GIUONYPBFIZMDH-UHFFFAOYSA-N
-rxn:4:218621:222854,COc1ccc(C2CCCNC2)cc1-c1cnc(OC2CCN(S(=O)(=O)CCN3C(=O)CCCC3=O)C2)nc1,PEORDBDEWMYHJJ-UHFFFAOYSA-N
-rxn:4:218664:224853,CN(C)c1ccc(C(=O)N2CCCC(COc3ncc(-c4ccc(C5CCC(C)(C)CC5)cc4)cn3)C2)cc1,JGNINNKEKHFSLW-UHFFFAOYSA-N
-rxn:4:218702:222623,CCC(C)c1cc(-c2ccc(-c3cc(N4CCCN(C(=O)C(C)Oc5ccccc5)CC4)[nH]n3)cc2)cc(C2CCNCC2)n1,GXTFKYQJWVNREU-UHFFFAOYSA-N
-rxn:4:218769:223142,O=C(CN1CCN(C(=O)Cn2ccc3cc(-c4ccc(C5CCCNC5)nc4)ccc32)CC1)N1CCCC1,YBCRDXSBZHAWDD-UHFFFAOYSA-N
-rxn:4:218777:223992,Cc1ccc(-c2c(C)nn(C(C)CC(=O)N3CCN(S(=O)(=O)c4ccc5ccccc5c4)CC3)c2C)cc1S(=O)(=O)N1CCN(C)CC1,SJCAJKHTGHKCCV-UHFFFAOYSA-N
-rxn:4:218786:222830,CS(=O)(=O)N1CCN(C(=O)CCC(=O)N2CCc3[nH]c4c(-c5ccccc5CNc5ccccc5)cccc4c3C2)CC1,PHGVUBHXMLQSCL-UHFFFAOYSA-N
-rxn:4:218847:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1cnc(OC2CCN(C(=O)c3cccnc3OC)C2)nc1,RZMBQZUQYFBXPD-UHFFFAOYSA-N
-rxn:4:218852:224056,CCC[C@H]1CC[C@H](c2ccc(-c3ccc(CC(=O)N4CC(n5cc(C6CC6)nn5)C4)cc3)c(F)c2)CC1,QKPFQLWGHCDJKV-AFARHQOCSA-N
-rxn:4:218867:223972,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3ccc(N4CCCCC4C)cc3C(F)(F)F)c2)no1,AVRSBROKCGRIIZ-UHFFFAOYSA-N
-rxn:4:218867:225407,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3ccc(C4CCCCCC4)cc3)c2)no1,CCTKWRRJWBGFNW-UHFFFAOYSA-N
-rxn:4:218867:225685,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3cnc(Cl)c(C4CCCCC4)c3)c2)no1,RHPQXQBOZDOUOL-UHFFFAOYSA-N
-rxn:4:218868:225798,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3ccc(OC4CCOCC4)nc3)cc2)no1,HODGTZQWBLYXBL-UHFFFAOYSA-N
-rxn:4:218892:222546,Cc1ccc(OCC2CCN(C(=O)c3cncc(-c4ccc(OCCNC5CCCCC5)c(F)c4)c3)C2)nn1,LZXQQUVENWQIDZ-UHFFFAOYSA-N
-rxn:4:218898:223812,O=C(c1ccncc1F)N1CCC(COc2ncc(-c3cc(F)cc(CN4CCC5(CC4)OCCO5)c3)cn2)CC1,NPJJTVBVQJXJRH-UHFFFAOYSA-N
-rxn:4:218903:222685,Cc1cc(F)c(NC(=O)OC(C)(C)C)cc1-c1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)c(C#N)c1,VWEVVKXARLUNMT-UHFFFAOYSA-N
-rxn:4:218916:224377,Cc1cc(CN2CCCC(COc3ncc(-c4ccc(S(=O)(=O)N5CCN(C)CC5)cc4)cn3)C2)on1,WZENDSSWCSIRBN-UHFFFAOYSA-N
-rxn:4:218944:228794,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3ccc([Si](C)(C)C)s3)cc2[N+](=O)[O-])CC1,BZSWKTIEVZBMQW-UHFFFAOYSA-N
-rxn:4:218971:224198,CCN1CCN(Cc2ccc(-c3cnc(OCC4CCN(C(=O)c5sc(C)nc5C)CC4)nc3)c(F)c2)CC1,OOLWWSCDSSGWLK-UHFFFAOYSA-N
-rxn:4:218983:222849,COc1ccc(-c2ccc(C3CCNCC3)c(C#N)c2)c(C(=O)N2CCN(c3ccc(C(F)(F)F)nn3)CC2)c1,YXNDRYVLKLZOKV-UHFFFAOYSA-N
-rxn:4:218983:222930,COc1ccc(-c2cnc(Cl)c(N3CCCC(O)C3)c2)c(C(=O)N2CCN(c3ccc(C(F)(F)F)nn3)CC2)c1,QDBHPDHEXILTLL-UHFFFAOYSA-N
-rxn:4:218991:224082,CCC(C(=O)OC(C)(C)C)c1cccc(-c2cn(C)nc2CN2CCN(C(=O)OC(C)(C)C)CC2)c1,DANLHGMWXJPONL-UHFFFAOYSA-N
-rxn:4:219002:224672,CCN1CCN(c2ccc(-c3cnc(OCC4CCCN(C(=O)c5cccn(C)c5=O)C4)nc3)c(Cl)c2)CC1,PHBANNFWDDMQMB-UHFFFAOYSA-N
-rxn:4:219044:224056,CCC[C@H]1CC[C@H](c2ccc(-c3cncc(C(=O)N4CCC(Cn5ccnc5C(C)C)CC4)c3)c(F)c2)CC1,YBOSAWHBXREYPO-YOCNBXQISA-N
-rxn:4:219053:223085,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cncc(-c4cnc(Cl)c(N5CCC(O)C5)c4)c3)cn2)CC1,ULDKSMRQIBSCDE-UHFFFAOYSA-N
-rxn:4:219064:222676,COc1ccc(-c2cc(N3CCN(C(=O)c4ccccc4-c4cc(F)ccc4CNC(=O)OC(C)(C)C)CC3)[nH]n2)cc1,MDMNFGZKALRTKZ-UHFFFAOYSA-N
-rxn:4:219072:224022,O=C(Cc1nnc(-c2cccc(-c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)c2)o1)N1CCN(C2CCCCC2)CC1,IVVQFEDKGVIINJ-UHFFFAOYSA-N
-rxn:4:219072:226182,O=C(Cc1nnc(-c2cccc(-c3cccnc3C3CCCCC3)c2)o1)N1CCN(C2CCCCC2)CC1,LIANNQZHPNZAHC-UHFFFAOYSA-N
-rxn:4:219073:223915,Cc1cc(-c2ccc(C(=O)N3CCN(c4ccc([N+](=O)[O-])c(N5CCCC5)c4)CC3)cc2)cnc1N(C)C(=O)c1ccccc1,AUOHIXWFXFCHAS-UHFFFAOYSA-N
-rxn:4:219079:222522,COc1ccc(-c2ccc(-c3cc(N4CCCN(C(=O)Cc5cccc(C)c5)CC4)[nH]n3)cc2)cc1S(=O)(=O)N1CCC(O)CC1,HDCAVEVRFIIBGI-UHFFFAOYSA-N
-rxn:4:219120:224617,O=C(c1cncc(-c2ccc(OCCN3CCCC3)c(Cl)c2)c1)N1CC2CCCC2(COc2ncc(F)cn2)C1,GSVREJYCAGDBMW-UHFFFAOYSA-N
-rxn:4:219135:226506,COc1ccc(N2C(=O)C3N=NN(Cc4ccc(OC)c(-c5cc(OCC6CC6)ncc5F)c4)C3C2=O)cc1,NICTYBBOFZZVAB-UHFFFAOYSA-N
-rxn:4:219155:223069,CCCS(=O)(=O)Nc1cccc(-c2cncc(C(=O)N3CC4CCCC4(COc4ncc(C)cn4)C3)c2)c1,PWSKOQDPBRDGIV-UHFFFAOYSA-N
-rxn:4:219157:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(OC)cc3C(=O)N3CCN(C(=O)c4cnn5ccccc45)CC3)c(F)cc2C)CC1,CTGYAMUKTOJVJE-UHFFFAOYSA-N
-rxn:4:219182:222757,COc1ccc(-c2ccc(CNC(=O)c3cccs3)cc2)c(C(=O)N2CCN(C(=O)c3cc4n(n3)CCCC4)CC2)c1,IFGWMXJURWEUFN-UHFFFAOYSA-N
-rxn:4:219184:222937,CCCN1CCN(C(=O)c2cc3n(n2)CC(c2ccc(-c4ccc(C(=O)NCC(F)(F)F)cc4)cc2)OC3)CC1,VIVFSHYRXZKMNN-UHFFFAOYSA-N
-rxn:4:219242:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2cnnn2C2CN(C(=O)OC(C)(C)C)C2)cc1,LISZTORXRBKXJN-UHFFFAOYSA-N
-rxn:4:219281:223493,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1c(C(=O)N2CCN(CC(F)(F)F)CC2)cnn1C,TYRRPSVENILOEG-UHFFFAOYSA-N
-rxn:4:219292:223761,CC(C)(C)OC(=O)N1CCCC1c1ccc(-c2cnc(OC3CCN(C(=O)c4ccccn4)C3)nc2)cc1,BMNCSHCQMZXJEO-UHFFFAOYSA-N
-rxn:4:219320:224100,CC1CCN(CCOc2ccccc2-c2cnccc2OC2CCN(c3nccc(C(F)(F)F)n3)C2)CC1,PANKOAZOPNBQRM-UHFFFAOYSA-N
-rxn:4:219452:226714,Cc1nc(-c2ccnn2C(=O)OC(C)(C)C)n(C2CCN(C(=O)OC(C)(C)C)CC2)n1,ITONTEHULQFZFN-UHFFFAOYSA-N
-rxn:4:219457:222454,CC1CN(C(=O)OC(C)(C)C)CCC1n1cc(-c2ccccc2NC(=O)c2cccc(C(F)(F)F)c2)nn1,RNKRZDUCJRLWLG-UHFFFAOYSA-N
-rxn:4:219469:223028,CCCNC(=O)c1ccc(F)c(-c2cnc(SC)nc2N2CCCN(S(=O)(=O)C3CC3)CC2)c1,IHSHAZHZMXTCEQ-UHFFFAOYSA-N
-rxn:4:219471:225728,CCCCOc1ccc(-c2cnc(SC)nc2N2CCOC(C(=O)N3CCCC3)C2)c(F)c1F,VCOHBRZCJKCYQR-UHFFFAOYSA-N
-rxn:4:219489:224676,Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1ccccc1C(=O)N1CCN(C)CC1,FDWZUCNXNPDSHW-UHFFFAOYSA-N
-rxn:4:219500:228970,N#Cc1cc(-c2ccc(C(F)(F)F)s2)cnc1N1CCCC(C(=O)N2CCSCC2)C1,HCMZMWJKVYZTCS-UHFFFAOYSA-N
-rxn:4:219506:224163,Cc1c(-c2ccc(S(=O)(=O)N3CCCN(S(=O)(=O)c4c[nH]cn4)CC3)cc2)ccc2c1cnn2C1CCCCO1,ZYCRJMSHDZVSLN-UHFFFAOYSA-N
-rxn:4:219530:223762,COC(=O)c1c(-c2cnc(OC3CCN(C4CCN(C5CC5)C4=O)CC3)nc2)c(C)n(Cc2ccccc2)c1C,LTQFHQNVURBMTA-UHFFFAOYSA-N
-rxn:4:219530:224731,CC(C)(C)COS(=O)(=O)c1cccc(-c2cnc(OC3CCN(C4CCN(C5CC5)C4=O)CC3)nc2)c1,CUNWKZYPVSVPQH-UHFFFAOYSA-N
-rxn:4:219534:224627,CN(C)C1CN(C(=O)c2ccc(-c3cncc(C(=O)N4CCC(n5nc(C6CC6)ccc5=O)CC4)c3)cc2)C1,VCSPCPZNTDHBGR-UHFFFAOYSA-N
-rxn:4:219552:222610,COc1nc(N2CCC(C(=O)N3CCC(F)(F)CC3)CC2)ncc1-c1cc(NC(=O)OC(C)(C)C)cc([N+](=O)[O-])c1,XLMNOYFVABAFNV-UHFFFAOYSA-N
-rxn:4:219562:225223,CC1CCN(c2cc(F)c(-c3cncc(C(=O)N4CCC(N5CC(=O)N(c6ccccc6)C5=O)CC4)c3)cn2)CC1,NTXJJHBRDYFKMG-UHFFFAOYSA-N
-rxn:4:219569:223714,COc1cc(N2CCC(N3CCN(C)CC3)CC2)c(-c2ccc3cc(OCc4ccccc4)ccc3c2)cc1[N+](=O)[O-],LUUQBJFDYRQERL-UHFFFAOYSA-N
-rxn:4:219569:224259,COc1cc(N2CCC(N3CCN(C)CC3)CC2)c(-c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)cc1[N+](=O)[O-],YTEYTFBMEDTJOJ-UHFFFAOYSA-N
-rxn:4:219653:225982,CC(C)(C)OC(=O)N1CCN(c2nc3ccc(-c4cnc(N5CCOCC5)cc4F)nc3s2)CC1,DZSMKKMNEDKRKJ-UHFFFAOYSA-N
-rxn:4:219667:224375,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccccc2C(=O)N2CCN(S(=O)(=O)c3cccc4nsnc34)CC2)cc1,QFAMREJYMQZDEE-UHFFFAOYSA-N
-rxn:4:219689:222887,CC(C)(C)OC(=O)N1CCN(c2ccc3ncc(-c4cccc(C(=O)N5CCNCC5)c4)n3c2)CC1,XXAFPMFMRKXKCE-UHFFFAOYSA-N
-rxn:4:219707:222741,CC(C)(C)OC(=O)N1CCN(c2ncnc3c(F)c(-c4cc(C5CC5)nc(C5CCCNC5)c4)c(Cl)cc23)CC1,PUUKZYAFVNNUBW-UHFFFAOYSA-N
-rxn:4:219742:224974,CN1CCN(Cc2ccccc2-c2cncc(C(=O)N3CCC(Cn4nc5c(cc4=O)CCC5)CC3)c2)CC1,GZWLVWOLKZBHEQ-UHFFFAOYSA-N
-rxn:4:219750:222573,COc1ccc(-c2cc(F)cc(C(=O)NCC3CCCCC3)c2)c(C(=O)N2CCCc3cnc(N4CCOCC4)nc32)c1,SJPSTEIQMMZFEA-UHFFFAOYSA-N
-rxn:4:219764:228849,Cc1cc(-c2c(Cl)cc3c(N4CC5CCC(C4)N5C(=O)OC(C)(C)C)nc(F)nc3c2F)cc(Cl)c1F,NYSVHWIPBQVILK-UHFFFAOYSA-N
-rxn:4:219766:222700,O=C(c1cncc(-c2ccc(C(F)(F)F)cc2C2CCCNC2)c1)N1CCC(Cn2nc3c(cc2=O)CCCC3)CC1,VBELXORURFOBEC-UHFFFAOYSA-N
-rxn:4:219825:223594,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)cc(-c3ccc(C(=O)N4CC(n5nccn5)C4)o3)c2)CC1,PPDMMBSTIWHBPH-UHFFFAOYSA-N
-rxn:4:219916:223504,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(N4CCC(C#N)(c5ccccc5)CC4)nc3)cc2[N+](=O)[O-])CC1,LKHIKWDJJFIQFG-UHFFFAOYSA-N
-rxn:4:219991:224371,COC(=O)C1CCN(c2ncc(-c3cncc(C(=O)N4CCC(N5CC(=O)N(C)C5=O)CC4)c3)cn2)CC1,UTXPGXSVSLSPPH-UHFFFAOYSA-N
-rxn:4:220040:223529,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3nc4n(n3)CCN(C(=O)OC(C)(C)C)C4)cc2F)CC1,OALATNLTJMFHID-UHFFFAOYSA-N
-rxn:4:220049:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cn(CCN4CCOCC4)c4ncnc(Cl)c34)ccn2)CC1,OWOREYXEDYPRAA-UHFFFAOYSA-N
-rxn:4:220070:222912,CC(C)CNS(=O)(=O)c1ccc(-c2nc3n(n2)CCCN(C(=O)OC(C)(C)C)C3)cc1,AXWNGTIGRGNVEC-UHFFFAOYSA-N
-rxn:4:220114:223695,O=C(c1ccc(-c2cccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)o1)N1CCC(c2nnc3ccccn23)CC1,FFTTUUCBOPTHMO-UHFFFAOYSA-N
-rxn:4:220141:222658,Cn1nc2cc(-c3cc(F)cc(C(=O)NC4CCCCC4)c3)ccc2c1C(=O)N1CCC(N2C(=O)CSC2=O)C1,NQZXYOCPGRERSF-UHFFFAOYSA-N
-rxn:4:220158:224773,Cc1cc(-c2ccccc2S(=O)(=O)N2CC3CN(c4cnccn4)CC3C2)ccc1S(=O)(=O)N1CCCC1,MJFAGDFAKJSTMW-UHFFFAOYSA-N
-rxn:4:220205:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc4nc(N5CCOC(C(=O)N6CCOCC6)C5)ncc4c3)c2)CC1,JEBZLUCNTSIMOP-UHFFFAOYSA-N
-rxn:4:220222:222546,Cc1ccc(-c2ccc(OCCNC3CCCCC3)c(F)c2)cc1C(=O)N1CCN(c2cc3c(nn2)CCC3)CC1,SAXLASWDUJJOBV-UHFFFAOYSA-N
-rxn:4:220429:222926,Cc1nc(N2CCCC(O)C2)ncc1-c1cnc(N2CCCN(C3CCOC3)CC2)nc1,OIAXLJRSNKGXJC-UHFFFAOYSA-N
-rxn:4:220429:224431,Cc1cccc(CN(C(C)C)C(C)C)c1-c1cnc(N2CCCN(C3CCOC3)CC2)nc1,NJQSHGJUYCMGEZ-UHFFFAOYSA-N
-rxn:4:220429:224915,Cc1cc(N2CCCCC2C)ccc1-c1cnc(N2CCCN(C3CCOC3)CC2)nc1,ABNLNCODNOCGTI-UHFFFAOYSA-N
-rxn:4:220429:224975,CCN1CCN(c2ccc(-c3cnc(N4CCCN(C5CCOC5)CC4)nc3)cc2)CC1,RPGKVROUEDLHNS-UHFFFAOYSA-N
-rxn:4:220533:224886,CC1CCN(Cc2ccc(-c3cnc(N4CC(N5CC6CCCC6C5)C4)nc3)cc2)CC1,GBEJSHUEGPWANQ-UHFFFAOYSA-N
-rxn:4:220533:225061,CC1CCN(c2ccc(-c3cnc(N4CC(N5CC6CCCC6C5)C4)nc3)c(F)c2)CC1,ZJKNCAYDIGIVPT-UHFFFAOYSA-N
-rxn:4:221103:222907,Cc1cc(=O)n(CC(=O)N2CCCC(COc3ncc(-c4ccncc4NC(=O)OC(C)(C)C)cn3)C2)cn1,ZPIJNDGZXXLUSM-UHFFFAOYSA-N
-rxn:4:221111:224688,O=C1CCN(Cc2ccc(-c3cccc(N4CC(C(=O)N5CCN(CCn6ccnc6)CC5)CC4=O)c3)cc2Cl)CC1,ACWBSKKTLBPHOG-UHFFFAOYSA-N
-rxn:4:221114:225335,CCOc1cc(OC(F)(F)F)ccc1-c1ccc(OCC)c(S(=O)(=O)N2CCN(c3nc(C)cc(N4CCCC4)n3)CC2)c1,ONPJFMNKXOWEIH-UHFFFAOYSA-N
-rxn:4:221163:223522,COc1ccc(-c2cc(F)cc(N3CCC(O[Si](C)(C)C(C)(C)C)CC3)c2)c(C(=O)N2CC(c3nc(-c4ncccn4)no3)C2)c1,OQYMUSHJLGYIKJ-UHFFFAOYSA-N
-rxn:4:221169:224396,Cc1cc(-c2cnc(OCC3CCCN(S(=O)(=O)c4cnn(C)c4)C3)nc2)ccc1S(=O)(=O)N1CCOCC1,MEBNZDXSJYAPEJ-UHFFFAOYSA-N
-rxn:4:221205:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(CCN2CCN(c3ccnc(N4CCOCC4)n3)CC2)cc1,DLLDLGLJRFALBR-UHFFFAOYSA-N
-rxn:4:221249:222929,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc4c(-c5cnc(Cl)c(N6CCC(O)CC6)c5)cnn4c3)cc2)CC1,JYKSNKMXPWOPQD-UHFFFAOYSA-N
-rxn:4:221249:225943,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc4c(-c5ccc(C(=O)N6CCOCC6)s5)cnn4c3)cc2)CC1,NRTNIJMWMWXYRB-UHFFFAOYSA-N
-rxn:4:221257:222611,COC(=O)Cn1c(C)cn2c3c(=O)n(Cc4ccc(-c5cc(S(=O)(=O)N6CCNCC6)ccc5OC)cc4)c(=O)n(C)c3nc12,IAYSOZXMAQABKI-UHFFFAOYSA-N
-rxn:4:221309:223596,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)ccc2-c2ccc(C(=O)N3CC(c4nc(-c5cnccn5)no4)C3)o2)CC1,FSEWTWVPFIQQKS-UHFFFAOYSA-N
-rxn:4:221353:224377,CN1CCN(S(=O)(=O)c2ccc(-c3cncc(C(=O)N4CCC(n5cc(C6CC6)nn5)C4)c3)cc2)CC1,RKZVPVOTXOVUNC-UHFFFAOYSA-N
-rxn:4:221382:224627,CN(C)C1CN(C(=O)c2ccc(-c3cncc(C(=O)N4CCN(c5ccc(C6CC6)nn5)CC4)c3)cc2)C1,XLUAIQPAGUEQTB-UHFFFAOYSA-N
-rxn:4:221389:222582,Cc1ncnc(N2CCCC(COc3ncc(-c4cccc(C(=O)NCCN5CCOCC5)c4)cn3)C2)c1C,BSEZVPVYUUONRM-UHFFFAOYSA-N
-rxn:4:221391:222628,CSc1ncc(-c2cc(C3CCC3)nc(C3CCCNC3)c2)c(N2CCC(N(C)c3ccccn3)CC2)n1,PQHFWRAZFQKLPD-UHFFFAOYSA-N
-rxn:4:221395:222629,CC(C)(C)c1cc(-c2cnc(N3CCC(Cn4cnc(C5CC5)cc4=O)CC3)nc2)cc(C2CCCNC2)n1,PCNSXASBRCFUIY-UHFFFAOYSA-N
-rxn:4:221398:222546,CN1CCN(C(=O)N2CCC(Oc3ncc(-c4ccc(OCCNC5CCCCC5)c(F)c4)cn3)CC2)CC1,ZLCALZPGFLSSEX-UHFFFAOYSA-N
-rxn:4:221432:223835,Cc1cc(N2CCCC2)nc(N2CCN(C(=O)c3cccc(-c4cc(S(=O)(=O)N5CCC(C)CC5)c(C)cc4F)c3)CC2)n1,POLKDFINARCPCZ-UHFFFAOYSA-N
-rxn:4:221439:224163,Cc1c(-c2ccc(Cl)c(C(=O)N3CCN(c4ccc(N5CCCCC5)nn4)CC3)c2)ccc2c1cnn2C1CCCCO1,QZEBWZWSMPXYJK-UHFFFAOYSA-N
-rxn:4:221443:226577,Cc1nc(N2CCOCC2)cc(N2CCN(Cc3cccc(-c4cc(Cl)cc(C(=O)N(C)C)c4)c3)CC2)n1,HQRZLURZNJIXLW-UHFFFAOYSA-N
-rxn:4:221444:223134,Cc1cc(N2CCOCC2)nc(N2CCN(Cc3ccccc3-c3cnccc3C3CCCNC3)CC2)n1,CKIFMBMJXHLESD-UHFFFAOYSA-N
-rxn:4:221447:222985,Cc1cc(N2CCN(Cc3ccc(-c4ccc(C5CCCNC5)nc4C)cc3)CC2)nc(N2CCOCC2)n1,NKECBCWXONHVBX-UHFFFAOYSA-N
-rxn:4:221449:222844,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccc(NC(=O)C5CCCC5)c4)cc3)CC2)n1,MEEZTMMGAMIEIP-UHFFFAOYSA-N
-rxn:4:221478:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3cnn(CC4CN(C(=O)c5ccc6nccnc6c5)C4)c3)c2)CC1,AHMBBIXQPGPLHX-UHFFFAOYSA-N
-rxn:4:221594:223489,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CC(Cn5ncccc5=O)C4)nc3)cc2)CC1,WCFFVUVIPGGYSF-UHFFFAOYSA-N
-rxn:4:221727:222462,CC(C)(C)OC(=O)Nc1nc2cc(F)c(-c3cncc(C(=O)N4CCN(c5cc6c(nn5)CCCC6)CC4)c3)c(F)c2s1,LZQDUVNNJMFIRP-UHFFFAOYSA-N
-rxn:4:221727:224022,O=C(c1cncc(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c1)N1CCN(c2cc3c(nn2)CCCC3)CC1,OPROKCMSXNEIPS-UHFFFAOYSA-N
-rxn:4:221740:223529,CC(=O)Cn1c(=O)c2c(nc3n2CCCN3c2ccc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)c(F)c3)cc2)n(C)c1=O,VFIKNOXVVYULLC-UHFFFAOYSA-N
-rxn:4:221744:223534,CC(=O)Cn1c(=O)c2c(nc3n(-c4ccc(-c5cc(OC6CCN(C(=O)OC(C)(C)C)CC6)ncc5F)cc4)c(C)c(C)n23)n(C)c1=O,SAIDEUYBBGETAU-UHFFFAOYSA-N
-rxn:4:221914:224160,CCOC(=O)N1CCN(C(=O)c2nnn(-c3ccc(-c4ccc5c(c4)CCN5C(=O)OC(C)(C)C)cc3)n2)CC1,LAIAPQRQLDDHDT-UHFFFAOYSA-N
-rxn:4:221937:223812,Cn1cc(C(=O)N2CCC(COc3ncc(-c4cc(F)cc(CN5CCC6(CC5)OCCO6)c4)cn3)CC2)nn1,FLLMLGHCQKQJMM-UHFFFAOYSA-N
-rxn:4:221980:225876,CC(C)(C)OC(=O)N1CCN(c2cc(=O)n3nc(-c4cncc(-c5cc(Cl)ccc5N5CCOCC5)c4)sc3n2)CC1,OMCYGYJUMVMKLP-UHFFFAOYSA-N
-rxn:4:221982:223180,CONC(=O)c1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C(C)C)cc6)C(=O)C54)n3)cc2)cc1F,QLXCYBICNIGOBN-UHFFFAOYSA-N
-rxn:4:221999:223640,CCOC12C(=O)c3cc(F)cc(-c4cnc(N(C)C5CN(c6cnccn6)C5)c(C#N)c4)c3C(=O)C1C2(C)C,JNYGHZFFQKHBGV-UHFFFAOYSA-N
-rxn:4:222039:222629,CC(C)(C)c1cc(-c2ccc(-n3cnnn3)c(C(=O)N3CCN(C4CCS(=O)(=O)C4)CC3)c2)cc(C2CCCNC2)n1,VOMWGIAKKNMNFY-UHFFFAOYSA-N
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-rxn:4:222820:219242,CC(C)(C)NS(=O)(=O)c1ccc(-c2cnnn2C2CN(C(=O)OC(C)(C)C)C2)cc1F,GRVVIPLYCBNYTE-UHFFFAOYSA-N
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-rxn:4:223670:218901,COCCc1nsc(N2CCN(c3cccc(-c4cccnc4N4CCN(C(=O)OC(C)(C)C)CC4)c3)CC2)n1,SEJFDEWHSHJYQT-UHFFFAOYSA-N
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-rxn:5:177182:225976:226654,CCOC(=O)c1cc(C)cc(-c2csc(N3CCC(C)CC3)n2)c1-c1ccnc(N2CCOCC2)c1F,DUCZOVBCYJRPSQ-UHFFFAOYSA-N
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-rxn:5:177373:227803:226583,CN(C)S(=O)(=O)n1nccc1-c1cc(-c2ccc(CN3CCOCC3)s2)ccc1OCC1OCCO1,PPHXOYIAGQBCIV-UHFFFAOYSA-N
-rxn:5:177729:223138:223054,CC(c1ccc(-c2cc(-c3ccnc(C4CCNCC4)c3)ccc2C(=O)OC(C)(C)C)s1)N1CCC(O)C1,LRFYHUBMSSTIBM-UHFFFAOYSA-N
-rxn:5:177730:225453:225453,CC(C)(C)OC(=O)c1cc(-c2cccc(SC3CCCCC3)c2)ccc1-c1cccc(SC2CCCCC2)c1,CAGSXUNREDSCMQ-UHFFFAOYSA-N
-rxn:5:177731:225438:226645,CC(c1ccc(-c2cc(-c3ccnc(N4CCOCC4)c3)ccc2C(=O)OC(C)(C)C)cc1)N1CCCC1,WYBALNVLZNSGOH-UHFFFAOYSA-N
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-rxn:5:177732:223065:225439,CC(c1cccc(-c2cc(C(=O)OC(C)(C)C)ccc2-c2ccc(N3CCNCC3)cc2F)c1)N1CCCC1,KAIXPJBJGNXONW-UHFFFAOYSA-N
-rxn:5:177732:225438:226658,CC(c1ccc(-c2ccc(C(=O)OC(C)(C)C)cc2-c2ccc(N3CCCC3)nc2F)cc1)N1CCCC1,FGVDDOXQMBWHNO-UHFFFAOYSA-N
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-rxn:5:177734:226464:225871,COc1ccc2c(c1-c1cc(C)c(C(=O)OC(C)C)cc1-c1cccc(N3C(=O)C=CC3=O)c1)OCCO2,CVOBHXKVHKHZTR-UHFFFAOYSA-N
-rxn:5:177734:226746:225945,CCc1cnc(C(F)(F)F)cc1-c1cc(C)c(C(=O)OC(C)C)cc1-c1ccc(C#CC(F)(F)F)c(F)c1,NHASPSPSTVLIHG-UHFFFAOYSA-N
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-rxn:5:177891:225633:226335,N#Cc1cc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2ccc(N3CCCCCC3)nc2)ccc1C1COC1,FRSUWVDZDWBKAD-UHFFFAOYSA-N
-rxn:5:177891:225886:225803,CS(=O)(=O)n1ccc2cc(-c3ccccc3C(=O)SC3CS(=O)(=O)CC3c3ccnc(OC4CCOCC4)c3)ccc21,JDQIHVFTWUIIAL-UHFFFAOYSA-N
-rxn:5:177891:226452:227438,O=C(SC1CS(=O)(=O)CC1c1ccnc(C2CCOC2)c1)c1ccccc1-c1ccc(C2OCCCO2)cc1,UUULSEOIEQZJIV-UHFFFAOYSA-N
-rxn:5:177891:226665:225943,O=C(SC1CS(=O)(=O)CC1c1ccc(C(=O)N2CCOCC2)s1)c1ccccc1-c1cnc(C2CCCOC2)nc1,ISOLSRJPBCATFZ-UHFFFAOYSA-N
-rxn:5:177891:227403:227654,O=C(SC1CS(=O)(=O)CC1c1ccc(C2OCCO2)nc1)c1ccccc1-c1ccc(N2CCCCC2)s1,ILEHKRABVPUQAN-UHFFFAOYSA-N
-rxn:5:177891:227449:226335,N#Cc1cc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2ccc(C3CCOCC3)s2)ccc1C1COC1,PDAIHSQMUDAPEA-UHFFFAOYSA-N
-rxn:5:177891:227656:223200,O=C(SC1CS(=O)(=O)CC1c1ccc(C2CCNC2)cc1)c1ccccc1-c1cc(N2CCOCC2)cs1,ASJDJVJOCUWQAL-UHFFFAOYSA-N
-rxn:5:177891:227657:226590,O=C(SC1CS(=O)(=O)CC1c1ccc(OC2CCOC2)nc1)c1ccccc1-c1ccc(N2CCOCC2)s1,PRWOIUKUKJDMAE-UHFFFAOYSA-N
-rxn:5:178118:222958:227507,Cc1ccc(-c2ccc(-c3cccc(C=C[N+](=O)[O-])c3)cc2OCC2CCCCO2)cc1C1CCNCC1,PQIJIAIYLQOILS-UHFFFAOYSA-N
-rxn:5:178118:226583:227803,CN(C)S(=O)(=O)n1nccc1-c1ccc(-c2ccc(CN3CCOCC3)s2)c(OCC2CCCCO2)c1,WULUQVDCVUTOQX-UHFFFAOYSA-N
-rxn:5:178122:225448:227592,COc1cc(F)cc(-c2cc(-c3cc(C)ccc3OC3CCCC3)ccc2COC2CCCCO2)c1OC,GPRZXOUDWSHFMG-UHFFFAOYSA-N
-rxn:5:178122:227349:225498,COc1cc(C)cc(-c2ccc(COC3CCCCO3)c(-c3cc(C4CCCCC4)ccc3F)c2)c1OC,KZVOPLDAMWEECV-UHFFFAOYSA-N
-rxn:5:178224:226031:222990,OC1CCN(c2ccc(-c3cc(OCC4CCCCC4)cc(-c4ccc(C(F)(F)F)cc4C(F)F)c3)cc2)CC1,HXOVUODSXYAJHN-UHFFFAOYSA-N
-rxn:5:178295:222404:227969,COC(=O)C1(c2cc(-c3ccnc(C)c3C3CC3)ccc2-c2ccc(C3NC(=O)NC3=O)cc2)CCC(=O)CC1,QOXJRURDPCXPGV-UHFFFAOYSA-N
-rxn:5:178295:222405:223247,COC(=O)C1(c2cc(-c3cc4c(C)n[nH]c4cc3F)ccc2-c2cccc(C3NC(=O)NC3=O)c2)CCC(=O)CC1,UCWJMMVAGRBJTA-UHFFFAOYSA-N
-rxn:5:178295:223354:227052,CNC(=O)c1ccc(-c2ccc(-c3ccc(SC(C)(C)C)cc3)cc2C2(C(=O)OC)CCC(=O)CC2)cc1,RRPHJCAHXGDAON-UHFFFAOYSA-N
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-rxn:5:178295:225499:228506,CCCc1ccccc1-c1ccc(-c2ccc(C3CCCCC3)cc2F)c(C2(C(=O)OC)CCC(=O)CC2)c1,QZTHZHBAQJVSHG-UHFFFAOYSA-N
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-rxn:5:178295:226084:228616,COC(=O)C1(c2cc(-c3ccc(SC)cc3C)ccc2-c2ccc3c(c2)C(=O)CCCC3)CCC(=O)CC1,FEWJVCIKYOIFAM-UHFFFAOYSA-N
-rxn:5:178295:226085:228178,COCc1ccc(F)c(-c2ccc(-c3ccc4c(c3)CCC(C)(C)O4)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,NDZRTNNBFUDNIG-UHFFFAOYSA-N
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-rxn:5:178295:226158:227940,CCc1cc(SC)cc(-c2ccc(-c3ccccc3N3CCCCC3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,ZVDDDOGFEGSYRM-UHFFFAOYSA-N
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-rxn:5:178467:226587:223141,CCOC(=O)C1=Cc2cc(-c3cncc(C4CCNCC4)c3)cc(-c3cnc(OC4CCC4)cc3F)c2OC1,PGCBSJODAKATLM-UHFFFAOYSA-N
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-rxn:5:178467:228879:226662,CCOC(=O)C1=Cc2cc(-c3ccc(N4CCN(C)CC4)s3)cc(-c3ccnn3C3COC3)c2OC1,XJEGHOKMZHHAJI-UHFFFAOYSA-N
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-rxn:5:180422:225784:226686,Cc1cnn(C2CCCCO2)c1-c1cc(CC2CCCCC2)ccc1-c1ccc(CN2CCOCC2)nc1,SFZHRQAHMKSDSV-UHFFFAOYSA-N
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-rxn:5:180662:225679:226794,COC(=O)C1=Cc2cc(-c3cnc(N4CCSCC4)nc3)cc(-c3ccc(N4CCCCC4)cc3F)c2OC1,NSIRBTGHIUNHFQ-UHFFFAOYSA-N
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-rxn:5:180662:225985:223281,COC(=O)C1=Cc2cc(-c3ccc(C4(O)COC4)nc3)cc(-c3cccc(N4CCCS4(=O)=O)c3)c2OC1,TVHKIXIOWOSWKZ-UHFFFAOYSA-N
-rxn:5:181628:225832:225394,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2cc(C3CCC3)cc(C3CC3)c2)c(C2OCCO2)c1,FDKGUQCVMRZYSE-UHFFFAOYSA-N
-rxn:5:181904:222960:222987,Cc1cc(-c2ccc(C3OCCO3)c(C)c2-c2ccc(C3CCNCC3)nc2C)cc(C2CCNCC2)c1,GLUBQIJCWYKHTA-UHFFFAOYSA-N
-rxn:5:181905:225394:225684,Cc1ccc(-c2ccc(C3CCOCC3)nc2C)c(C2OCCO2)c1-c1cc(C2CCC2)cc(C2CC2)c1,FNHIHGNFYIJHLZ-UHFFFAOYSA-N
-rxn:5:181905:225439:226330,Cc1ccc(-c2ccc(C(C)N3CCCC3)s2)c(C2OCCO2)c1-c1cccc(C(C)N2CCCC2)c1,PCHGSTDVGGUPHW-UHFFFAOYSA-N
-rxn:5:181905:225587:225656,Cc1ccc(-c2cncc(N3CCCCC3C)c2)c(C2OCCO2)c1-c1cccc(CN2CCOCC2)c1,DZLVTFYFEPSBLK-UHFFFAOYSA-N
-rxn:5:181906:225805:226179,Cc1ccc(-c2ccc(C(C)N3CCOCC3)s2)c(C2OCCO2)c1-c1cncc(C2CCCCC2)c1,YALHZSVIWCVZER-UHFFFAOYSA-N
-rxn:5:181906:225832:223131,Cc1ccc(-c2c(C)nn(C3CCCCO3)c2C)c(C2OCCO2)c1-c1ccc(N2CCNCC2)cc1,PUBGFXKLJYMQIT-UHFFFAOYSA-N
-rxn:5:181906:226330:226686,Cc1ccc(-c2ccc(C(C)N3CCCC3)s2)c(C2OCCO2)c1-c1c(C)cnn1C1CCCCO1,IUNPDLZBHWNSIM-UHFFFAOYSA-N
-rxn:5:181907:225407:225656,Cc1cc(-c2ccc(C3CCCCCC3)cc2)c(-c2cncc(N3CCCCC3C)c2)c(C2OCCO2)c1,VPUSJBGOIRHLKJ-UHFFFAOYSA-N
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-rxn:5:181907:225653:225683,Cc1cc(-c2ccc(N3CCCCC3C)nc2)c(-c2ccc(C3CCCOC3)nc2C)c(C2OCCO2)c1,PEOGJNXDLQVVEC-UHFFFAOYSA-N
-rxn:5:181907:225656:225461,Cc1cc(-c2cncc(N3CCCCC3C)c2)c(-c2ccc(N3CCCCC3)cc2C)c(C2OCCO2)c1,UQBBZXKVKREJOZ-UHFFFAOYSA-N
-rxn:5:181907:226686:225439,Cc1cc(-c2c(C)cnn2C2CCCCO2)c(-c2cccc(C(C)N3CCCC3)c2)c(C2OCCO2)c1,QUEYIBKXDKBMCZ-UHFFFAOYSA-N
-rxn:5:181908:222956:225655,Cc1ccc(-c2cc(C)c(C3OCCO3)cc2-c2cncc(N3CCC(C)CC3)c2)c(C2CCCNC2)c1,HENQJANYZXJFQH-UHFFFAOYSA-N
-rxn:5:181908:222987:225438,Cc1cc(-c2ccc(C3CCNCC3)nc2C)c(-c2ccc(C(C)N3CCCC3)cc2)cc1C1OCCO1,WNCZQIMIOCILBR-UHFFFAOYSA-N
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-rxn:5:181908:225438:225640,Cc1cc(-c2ccc(C(C)N3CCCC3)cc2)c(-c2ccnc(N3CCCCC3C)c2)cc1C1OCCO1,PEKCGRVUIBNEHP-UHFFFAOYSA-N
-rxn:5:181908:225451:225466,Cc1cc(-c2ccc(SC3CCCCC3)cc2)c(-c2ccc(N3CCCCC3C)cc2)cc1C1OCCO1,JGECLXHWPBYMSN-UHFFFAOYSA-N
-rxn:5:181908:225466:225634,Cc1cc(-c2ccc(N3CCCCC3C)cc2)c(-c2cnc(N3CCCCC3)c(C)c2)cc1C1OCCO1,MPRKMWSPZDKZCN-UHFFFAOYSA-N
-rxn:5:181908:225470:222960,Cc1cc(-c2cc(C3OCCO3)c(C)cc2-c2ccc(N3CCC(C)CC3)cc2)cc(C2CCNCC2)c1,VODNBQIFFVANIM-UHFFFAOYSA-N
-rxn:5:181908:225514:222985,Cc1cc(-c2cccc3c2OCC2(CC2)CO3)c(-c2ccc(C3CCCNC3)nc2C)cc1C1OCCO1,AOBKMGFCUQHNED-UHFFFAOYSA-N
-rxn:5:181908:225641:223056,Cc1cc(-c2ccnc(N3CCCC(C)C3)c2)c(-c2ccc(N3CCC(O)CC3)nc2)cc1C1OCCO1,XRWKVKHMQODZRM-UHFFFAOYSA-N
-rxn:5:181908:225805:222960,Cc1cc(-c2cc(C3OCCO3)c(C)cc2-c2ccc(C(C)N3CCOCC3)s2)cc(C2CCNCC2)c1,DDSBFTZPIDNCHS-UHFFFAOYSA-N
-rxn:5:181908:226686:225435,Cc1cc(-c2c(C)cnn2C2CCCCO2)c(-c2ccccc2CN2CCCCC2)cc1C1OCCO1,HKTHZSNMQDKIQK-UHFFFAOYSA-N
-rxn:5:182009:225832:226447,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2ccnc(C3CCOCC3)c2)cc1C1CCOCC1,AGFSUJVZTCEGHA-UHFFFAOYSA-N
-rxn:5:182010:226185:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(C2CCOCC2)c(-c2ccc(C3CCOCC3)cc2)c1,YNARTLLYRNWMBM-UHFFFAOYSA-N
-rxn:5:182011:225653:222958,Cc1ccc(-c2cc(C3CCOCC3)ccc2-c2ccc(N3CCCCC3C)nc2)cc1C1CCNCC1,PSWJDXFZPOPVIB-UHFFFAOYSA-N
-rxn:5:182013:225805:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(-c2ccc(C(C)N3CCOCC3)s2)cc1C1CCOCC1,BNLXFBKJHTUXDV-UHFFFAOYSA-N
-rxn:5:182013:225832:225988,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2c(F)cc(C3OCCO3)cc2F)c(C2CCOCC2)c1,CQULURUBQPOLCG-UHFFFAOYSA-N
-rxn:5:182013:225880:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2cc(C3CCOCC3)ncc2F)cc1C1CCOCC1,SLXPOHJHSPOLKG-UHFFFAOYSA-N
-rxn:5:188374:225943:225976,COC(=O)Cc1cc(-c2ccnc(N3CCOCC3)c2F)ncc1-c1ccc(C(=O)N2CCOCC2)s1,ATVZWSNYXSCING-UHFFFAOYSA-N
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-rxn:5:188375:225943:225978,COC(=O)Cc1nc(-c2ccc(N3CCOCC3)nc2F)ccc1-c1ccc(C(=O)N2CCOCC2)s1,NPISPGGKXUHWFX-UHFFFAOYSA-N
-rxn:5:188376:225943:225982,COC(=O)Cc1cnc(-c2cnc(N3CCOCC3)cc2F)cc1-c1ccc(C(=O)N2CCOCC2)s1,CFGROBQCVDOSIK-UHFFFAOYSA-N
-rxn:5:188867:225943:225976,CC(C)OC(=O)c1cc(-c2ccnc(N3CCOCC3)c2F)ncc1-c1ccc(C(=O)N2CCOCC2)s1,SGSIUDFFVYJDAC-UHFFFAOYSA-N
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-rxn:5:189827:223294:227703,COC(=O)c1cc(-c2ccc(CC(=O)N3CCOCC3)cc2-c2csc(N3CCNCC3)n2)cnc1F,USZIMJGTMNMBJA-UHFFFAOYSA-N
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-rxn:5:189952:226187:227821,CCc1c(C)cc(C)cc1-c1cc(C(=O)N2CCOCC2)cc(-c2cccc(C3CCOCC3)c2)c1OC,FDGISDHAQYMHMJ-UHFFFAOYSA-N
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-rxn:5:190001:223284:226059,CC(C)c1ccc(-c2ccc(CC(=O)N3CCCCC3)cc2-c2ccc(NS(C)(=O)=O)cc2)c(C(C)C)c1,UCGQJDXLDQXJQL-UHFFFAOYSA-N
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-rxn:5:190127:226069:227592,COc1cc(F)cc(-c2ccc(-c3cccc(C4CCCCC4)c3)cc2C(=O)N2CCC(OC)CC2)c1OC,FYFFJDVRMKTXPZ-UHFFFAOYSA-N
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-rxn:5:190128:227932:225451,COCc1ccc(C)c(-c2ccc(C(=O)N3CCC(OC)CC3)cc2-c2ccc(SC3CCCCC3)cc2)c1,QOMKNUQOAUMRIW-UHFFFAOYSA-N
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-rxn:5:190743:223058:225639,CCOC(=O)c1cnc2c(C)c(-c3cc(F)nc(C4CCCNC4)c3)ccc2c1-c1cccnc1N1CCC(C)CC1,FLNSFMGUMWCYNL-UHFFFAOYSA-N
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-rxn:5:190744:223056:225982,CCOC(=O)c1cnc2c(-c3ccc(N4CCC(O)CC4)nc3)c(C)ccc2c1-c1cnc(N2CCOCC2)cc1F,RFOBMLPHOBSMSL-UHFFFAOYSA-N
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-rxn:5:190744:223062:225639,CCOC(=O)c1cnc2c(-c3cnc(C4CCNCC4)cc3F)c(C)ccc2c1-c1cccnc1N1CCC(C)CC1,OIYXPHAMTYXKMS-UHFFFAOYSA-N
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-rxn:5:190744:225639:223006,CCOC(=O)c1cnc2c(-c3cccnc3N3CCC(C)CC3)c(C)ccc2c1-c1ccc(F)c(C2CCNCC2)c1,DVFQNTIMORONFD-UHFFFAOYSA-N
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-rxn:5:190744:225833:223062,CCOC(=O)c1cnc2c(-c3ccnc(N4CCCCC4)c3F)c(C)ccc2c1-c1cnc(C2CCNCC2)cc1F,HZGNYQIWTHGXDL-UHFFFAOYSA-N
-rxn:5:190744:225833:223063,CCOC(=O)c1cnc2c(-c3ccnc(N4CCCCC4)c3F)c(C)ccc2c1-c1cc(F)nc(C2CCNCC2)c1,YBQYYXJYZAPRJB-UHFFFAOYSA-N
-rxn:5:190744:225834:225638,CCOC(=O)c1cnc2c(-c3cc(N4CCCCC4)ncc3F)c(C)ccc2c1-c1ccc(N2CCC(C)CC2)nc1,DNXQYCKVDSMUJL-UHFFFAOYSA-N
-rxn:5:190744:225849:223063,CCOC(=O)c1cnc2c(-c3cnc(N4CCCCC4)cc3F)c(C)ccc2c1-c1cc(F)nc(C2CCNCC2)c1,DVPMCTWRLWFJSO-UHFFFAOYSA-N
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-rxn:5:190798:225450:226068,Cc1cc(C(C)(C)C)cc(C)c1-c1ccc2c(c1)c(-c1ccc(C(=O)C3CCCC3)cc1)cn2C(=O)OC(C)(C)C,VZNPVYPQOSUANW-UHFFFAOYSA-N
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-rxn:5:191026:227833:226919,CCc1cc(C)cc(C)c1-c1ccc2c(c1)N(c1ccc(C)c(-c3cccc(C4CCCC4)c3)c1)C=C(C(=O)OC)S2(=O)=O,YFXODYMBZPGODB-UHFFFAOYSA-N
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-rxn:5:191049:228555:225498,COCc1ccccc1-c1ccc2c(c1)CN(c1cc(OC)c(-c3cc(C4CCCCC4)ccc3F)cc1OC)C(=O)CO2,GTBLOGBOHWYRHG-UHFFFAOYSA-N
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-rxn:5:193756:225834:227408,CC1CCCCN1C(=O)c1ccc(-c2cc(N3CCCCC3)ncc2F)cc1-c1cc(C2CCC2)ncc1F,AZLWQLGUVNIMBZ-UHFFFAOYSA-N
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-rxn:5:193756:226779:226438,CC1CCCCN1C(=O)c1ccc(-c2ccc(C(=O)C(F)(F)F)cc2)cc1-c1cnc(C2CCCC2)cc1F,FJLDJFYJADLANS-UHFFFAOYSA-N
-rxn:5:193756:226842:227025,CCc1ncc(C2CC2)cc1-c1cc(-c2cncc(C(=O)C(F)(F)F)c2)ccc1C(=O)N1CCCCC1C,CDNJJEQLVDQERL-UHFFFAOYSA-N
-rxn:5:193808:226150:226152,COc1cc(C2CC2)cc(-c2ccc(-c3cccc(SC4CCCC4)c3)cc2CN2CCC(C)CC2)c1C,BDEUFTARVDRPEP-UHFFFAOYSA-N
-rxn:5:193808:226452:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(-c2ccc(C3OCCCO3)cc2)cc1CN1CCC(C)CC1,HFUCWHINUUEHDX-UHFFFAOYSA-N
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-rxn:5:193866:227307:223058,Cc1ccc(-c2ccc(C3(N4CCC(=O)CC4)CC3)cc2-c2cc(F)nc(C3CCCNC3)c2)c(OC(C)C)n1,WCVUCYJBINKDRP-UHFFFAOYSA-N
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-rxn:5:193866:228148:226190,COc1cccc(-c2ccc(C3(N4CCC(=O)CC4)CC3)cc2-c2ccc(C3CCCC3)cc2F)c1OC,WWAKBIPYIUAFRA-UHFFFAOYSA-N
-rxn:5:193866:228155:226150,COc1ccc(-c2ccc(C3(N4CCC(=O)CC4)CC3)cc2-c2cccc(SC3CCCC3)c2)cc1OC,NWULIGVJCCJGAZ-UHFFFAOYSA-N
-rxn:5:193866:228615:225451,CSc1ccc(C)cc1-c1ccc(C2(N3CCC(=O)CC3)CC2)cc1-c1ccc(SC2CCCCC2)cc1,AFHZIYBWZNJCDU-UHFFFAOYSA-N
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-rxn:5:193869:228415:223018,Cc1cc(-c2cc(F)ccc2C(F)F)c(S(=O)(=O)N2CCCCC2)cc1-c1ccc2c(c1)NC(=O)C(C)(C)O2,ZOJZLXYXQOPCBZ-UHFFFAOYSA-N
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-rxn:5:193870:223148:226661,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cc(N3CCN(C)CC3)cs2)cc1-c1ccccc1C1CNCCO1,AXPNMDMTJXRACC-UHFFFAOYSA-N
-rxn:5:193870:225986:227449,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2ccc(C3CCOCC3)s2)cc1-c1ccccc1N1CCCS1(=O)=O,LPWPQNACYBCYKW-UHFFFAOYSA-N
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-rxn:5:193870:226794:223362,C/C(=N\O)c1ccc(-c2cc(-c3cnc(N4CCSCC4)nc3)c(C)cc2S(=O)(=O)N2CCCCC2)cc1,ZAXQNPZLBZQKTR-NJZRLIGZSA-N
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-rxn:5:193870:228597:225794,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cnc(OC3CCCCC3)nc2)cc1-c1c(C)cccc1C#N,AGTBBJWEHVIRTQ-UHFFFAOYSA-N
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-rxn:5:193872:226137:225886,CC(C)c1ncc(C2CC2)cc1-c1ccc(C(=O)N2CCC3(CC2)CC3)cc1-c1ccc2c(ccn2S(C)(=O)=O)c1,MAYAPWJVFOKGOJ-UHFFFAOYSA-N
-rxn:5:193968:222994:228468,Cc1c(-c2ccc(-c3cccc(N4CCC(O)CC4)c3)cc2CN2CCC3(CC2)OCCO3)cncc1[N+](=O)[O-],WNAIIIIVTZIEOW-UHFFFAOYSA-N
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-rxn:5:194733:227718:225803,O=C(c1cc(-c2ccc(OC(F)F)cc2F)ccc1-c1ccnc(OC2CCOCC2)c1)N1C2CCC1CC(=C1CC1)C2,WSNVDYOIEKUDHO-UHFFFAOYSA-N
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-rxn:4:177289:223588,Cc1cc(-c2ccc(F)cc2OCC(C)C)cnc1N1CCN(C(=O)OC(C)(C)C)CC1,MBGATVUCSCUPER-UHFFFAOYSA-N
-rxn:4:177745:223539,COc1ccc(-c2ccc(F)c(C(=O)OC(C)(C)C)c2)cc1S(=O)(=O)N1CCC2(CC1)OCCO2,ARWOSOZYPKIUGN-UHFFFAOYSA-N
-rxn:4:177757:223594,CC(C)(C)OC(=O)c1cc(F)c(-c2cc(Cl)cc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1F,QOTSKHROEBJJDL-UHFFFAOYSA-N
-rxn:4:178179:223583,COC(=O)c1ccc2c(-c3cccc(C4(C(=O)OC)CCCC4)c3)cn(C(=O)OC(C)(C)C)c2c1,BLHHVBWBDOAGSS-UHFFFAOYSA-N
-rxn:4:178224:223712,COc1ccc(-c2cc(Cl)cc(OCC3CCCCC3)c2)cc1C12CC3CC(CC(C3)C1)C2,VOIUPNKSBBBNEQ-UHFFFAOYSA-N
-rxn:4:178265:223689,CCN1CCN(S(=O)(=O)c2cc(-c3cc(C(=O)OC)cc(C4CCOCC4)c3)ccc2OC)CC1,NCIFBZOHMMPQFY-UHFFFAOYSA-N
-rxn:4:178330:224458,COC(=O)C1(c2ccc(-c3ccc(C(C)N4CCC(C)CC4)cc3)cc2)CC2(C1)OCCO2,ZAXLEOUMKDNDLC-UHFFFAOYSA-N
-rxn:4:178371:224168,CCN(C(=O)OC(C)(C)C)c1cccc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2OC)c1,CVYIJSZCWWQHOX-UHFFFAOYSA-N
-rxn:4:178382:222907,CC(C)(C)OC(=O)Nc1cnccc1-c1cc(C(C)(C)C)c(C(C)(C)C)c(C(C)(C)C)c1,QHXZDGQALMCLAH-UHFFFAOYSA-N
-rxn:4:178384:228376,N#Cc1c(F)cc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)cc1F,ZEOSADLGKIVWCY-UHFFFAOYSA-N
-rxn:4:178384:228400,COc1c(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)ccc(F)c1F,ORPBAFJNDQSQTE-UHFFFAOYSA-N
-rxn:4:178384:228824,Cc1cc(F)c(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c(F)c1,ZSMVBSHOISGGPN-UHFFFAOYSA-N
-rxn:4:178594:225499,Fc1cc(C2CCCCC2)ccc1-c1cc(Cl)c(OCC23CC4CC(CC(C4)C2)C3)cc1F,QOKDOYUALGMNJB-UHFFFAOYSA-N
-rxn:4:178597:226360,Cn1nccc1-c1cccc(-c2ccc(OC(=O)C3OC4OC(C)(C)OC4C4OC(C)(C)OC34)cc2)c1,MJLVSLRPDKDKGO-UHFFFAOYSA-N
-rxn:4:178597:227101,Cc1cc(-c2ccc(OC(=O)C3OC4OC(C)(C)OC4C4OC(C)(C)OC34)cc2)c(Cl)cc1C1CC1,AEVNUDRHUQZXCO-UHFFFAOYSA-N
-rxn:4:178597:227161,Cc1c2cc(-c3ccc(OC(=O)C4OC5OC(C)(C)OC5C5OC(C)(C)OC45)cc3)ccc2nn1C,NLQQDRVGALOIIV-UHFFFAOYSA-N
-rxn:4:178597:227618,Cc1cn(-c2ccc(-c3ccc(OC(=O)C4OC5OC(C)(C)OC5C5OC(C)(C)OC45)cc3)s2)cn1,HXERUEDAYNTVJQ-UHFFFAOYSA-N
-rxn:4:178597:229223,Cc1csc(C)c1-c1ccc(OC(=O)C2OC3OC(C)(C)OC3C3OC(C)(C)OC23)cc1,JJYQNMLEKAFIAU-UHFFFAOYSA-N
-rxn:4:178734:223592,C#Cc1cccc(C(F)(F)F)c1-c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cc1Cl,NYHAJFAAHNACTQ-UHFFFAOYSA-N
-rxn:4:178926:223491,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cc(C(F)F)cc(C(F)F)c3)cc(C(F)(F)F)c2)CC1,YYKHPTHLXUMNCS-UHFFFAOYSA-N
-rxn:4:180391:223841,Cc1cc(F)c(-c2cc(C3CC3)ccc2C2CCCO2)cc1S(=O)(=O)N1CCN(C)CC1,KKQSRCISCZDRLC-UHFFFAOYSA-N
-rxn:4:180496:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(C2CC2)c(C2CCOCC2)c1,KBLATSMKIQWKAE-UHFFFAOYSA-N
-rxn:4:180503:222389,c1cc(C2CCCOC2)c(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)cc1C1CC1,CLDBEQPCDHCGKT-UHFFFAOYSA-N
-rxn:4:180724:224409,COC(=O)C1(C)Cc2ccc(-c3cc(OCC(F)(F)F)cc(C(F)(F)F)c3)cc2C(=O)O1,BWYCVSJMZODEGX-UHFFFAOYSA-N
-rxn:4:180743:223594,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)cc(-c3cc4c(cc3C(=O)c3ccccc3)OCCO4)c2)CC1,HPIGPZSTNPGHBP-UHFFFAOYSA-N
-rxn:4:180815:222857,COc1cc(-c2ccc(OC)c(C34CC5CC(CC(C5)C3)C4)c2)cc(C2CCNCC2)c1,AYLLJJGOISLLSW-UHFFFAOYSA-N
-rxn:4:181342:223539,COc1ccc(-c2ccc(C(F)(F)F)c(C)c2)cc1S(=O)(=O)N1CCC2(CC1)OCCO2,MRYBZLHGMYYXJB-UHFFFAOYSA-N
-rxn:4:181765:223845,CN1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2ccccc2C2CC(F)(F)C2(F)F)CC1,DPIXRDRVMLGUIS-UHFFFAOYSA-N
-rxn:4:181768:223785,CCN1CCN(CCOc2ccc(-c3ccc(C4=CC(=O)C=CC4=O)cc3)cc2Cl)CC1,PAYVXJRFBUSALM-UHFFFAOYSA-N
-rxn:4:182108:222389,c1cc(C2CCCCCCC2)ccc1-c1cc(C2CCNCC2)nc(C2CCNCC2)c1,GTVFSPFUYKEALW-UHFFFAOYSA-N
-rxn:4:182359:222826,COC1CCC2(CC1)Oc1ccc(-c3cccc(S(=O)(=O)N4CCNCC4)c3)cc1C2=O,DAWJXYNTFPSABU-UHFFFAOYSA-N
-rxn:4:182367:224970,CC(C)(C)[Si](C)(C)Sc1ccc(-c2ccc3c(c2)C(=O)C2(CCC(C(F)F)CC2)C3)cc1,XKUOBWHDAFCERH-UHFFFAOYSA-N
-rxn:4:182368:222694,O=C1c2cc(-c3cccc(S(=O)(=O)NC4CCCCC4)c3)ccc2CC12CCC(C(F)(F)F)CC2,DIXVLIRNNXZDFW-UHFFFAOYSA-N
-rxn:4:182368:222926,Cc1nc(N2CCCC(O)C2)ncc1-c1ccc2c(c1)C(=O)C1(CCC(C(F)(F)F)CC1)C2,HHEXJLDLSXQWDC-UHFFFAOYSA-N
-rxn:4:182372:222698,CO[C@H]1CC[C@]2(CC1)Cc1ccc(-c3ccc(C(=O)N4CCC(O)CC4)c(Cl)c3)cc1C2=O,AJRGMHOFOOJFEF-GBWRQWNLSA-N
-rxn:4:182372:224061,CCCC1CCC(c2ccc(-c3ccc4c(c3)C(=O)[C@]3(CC[C@H](OC)CC3)C4)c(F)c2)CC1,ABCXEVYIWCXALN-XMEYNNHPSA-N
-rxn:4:182372:224490,CO[C@H]1CC[C@]2(CC1)Cc1ccc(-c3ccccc3OCCN3CCCCC3)cc1C2=O,GCKSYDBMVUYHIU-UEZMCPDZSA-N
-rxn:4:182372:224588,CO[C@H]1CC[C@]2(CC1)Cc1ccc(-c3cc(F)cc(CN4CCC(C)CC4)c3)cc1C2=O,UWHLVAPYMJZCDK-FCMXBYMOSA-N
-rxn:4:182374:224128,CC(=O)c1cc2c(cc1-c1ccc(C(=O)N(C)C3CCCCC3)cc1)C(C)(C)CCC2(C)C,DIEMYWARUUSOBH-UHFFFAOYSA-N
-rxn:4:182375:225050,CC1CCN(c2cc(F)cc(-c3ccc4c(c3)C(=O)CC(C3COCC(C)(C)C3)O4)c2)CC1,ZWBSMTAMOWWLPA-UHFFFAOYSA-N
-rxn:4:182376:224087,CO[C@H]1[C@H](C)C[C@@]2(Cc3ccc(-c4cccc(OCCN5CCCCCC5)c4)cc3C2=O)C[C@@H]1C,MCAKIOFVCSJQDD-ILXGQIOTSA-N
-rxn:4:182376:224424,CCCC1CCC(c2ccc(-c3ccc4c(c3)C(=O)[C@@]3(C4)C[C@@H](C)[C@H](OC)[C@@H](C)C3)cc2)CC1,FCYNWGKIMDXTIU-LUONIEAZSA-N
-rxn:4:182376:224874,CO[C@H]1[C@H](C)C[C@@]2(Cc3ccc(-c4cccc(COC5CCCCC5)c4)cc3C2=O)C[C@@H]1C,VZSLVXWHGWKXKR-CAKCGFARSA-N
-rxn:4:182376:225679,CO[C@H]1[C@H](C)C[C@@]2(Cc3ccc(-c4ccc(N5CCCCC5)cc4F)cc3C2=O)C[C@@H]1C,PFAOXBFAEOTEAV-CCMMMYSXSA-N
-rxn:4:183270:223580,COC(=O)c1ccc2c(c1)cc(-c1cc3c(cc1C)C(C)(C)CCC3(C)C)n2C(=O)OC(C)(C)C,OAZJQTQBLWEINK-UHFFFAOYSA-N
-rxn:4:183270:223636,Cc1cc2c(cc1-c1ccc(C3CCCN(C(=O)OC(C)(C)C)C3)cc1)C(C)(C)CCC2(C)C,JKOGPOLXEPJCLE-UHFFFAOYSA-N
-rxn:4:183270:223866,Cc1cc2c(cc1-c1ccccc1CN1C(C)(C)CCCC1(C)C)C(C)(C)CCC2(C)C,ISNDKQRPZFUROD-UHFFFAOYSA-N
-rxn:4:183271:222450,COc1ccc(CNS(=O)(=O)c2cccc(-c3ccc4c(c3)OCCOCCOCCOCCO4)c2)cc1,PGUJAMNQINNGNV-UHFFFAOYSA-N
-rxn:4:183272:225952,Cc1nc(N2CCOCC2)ncc1-c1ccc2c(c1)OCCOCCOCCOCCOCCO2,NNWZXHBVAJQQQV-UHFFFAOYSA-N
-rxn:4:183272:225976,Fc1c(-c2ccc3c(c2)OCCOCCOCCOCCOCCO3)ccnc1N1CCOCC1,NJRDIQPPSPKWQS-UHFFFAOYSA-N
-rxn:4:183274:226623,c1cncc(-c2ncc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCOCCO4)cn2)c1,VOGPRDOOZHOVSP-UHFFFAOYSA-N
-rxn:4:183274:228820,Cc1ccc(F)c(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCOCCO3)c1Cl,XMQUAUZXKDIHDL-UHFFFAOYSA-N
-rxn:4:183510:223602,CCOC(=O)Cc1cc(-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2Cl)c(C(F)F)cc1C#N,YVMGDONEIPQDEK-UHFFFAOYSA-N
-rxn:4:183554:223540,CCOC(=O)Cc1cc(C#N)cc(OC)c1-c1cc(S(=O)(=O)N2CCC3(CC2)OCCO3)ccc1OC,HYDKHCUQDRNWAA-UHFFFAOYSA-N
-rxn:4:183666:223840,COC(=O)C(Oc1cccc([N+](=O)[O-])c1-c1ccc(OC)c(S(=O)(=O)N2CCN(C)CC2)c1)C(C)C,HGAPAGGQQMPKOT-UHFFFAOYSA-N
-rxn:4:183669:223670,COC(=O)CSC1CCN(C(=O)c2ccc(-c3cccnc3N3CCN(C(=O)OC(C)(C)C)CC3)o2)C1,ILANWSOOPXRKNT-UHFFFAOYSA-N
-rxn:4:183686:224372,CON(C)C(=O)c1cc(OCC2CC2)cc(-c2cc(C(=O)N3CCCC3)cc([N+](=O)[O-])c2)c1,KNZANJJNHYFTMM-UHFFFAOYSA-N
-rxn:4:183729:224275,CC(C)(C)OC(=O)n1nc(-c2cc(OC(F)(F)F)ccc2OCC(=O)N2CCOCC2)c2ccccc21,RUQQDRLAGRLBQX-UHFFFAOYSA-N
-rxn:4:183769:224002,O=C(COc1ccc(OC(F)(F)F)cc1-c1cnc(-c2ccccc2C(F)(F)F)c(Cl)c1)N1CCCCC1,MZUSERKDPGNFOO-UHFFFAOYSA-N
-rxn:4:183769:226715,CC(C)(C)OC(=O)n1cc(-c2cc(OC(F)(F)F)ccc2OCC(=O)N2CCCCC2)cn1,OCTWTZKXTPOQTQ-UHFFFAOYSA-N
-rxn:4:183770:223686,CC(C)(C)[Si](C)(C)Oc1ccc(-c2ccc(OC(F)(F)F)cc2OCC(=O)N2CCCCC2)cc1OC(F)(F)F,CSLQRJZAIGBMJU-UHFFFAOYSA-N
-rxn:4:183832:223080,CC(C)NS(=O)(=O)c1ccc(-c2c(F)cccc2CN(C(=O)OC(C)(C)C)C2CC2)cc1,OZMYMZONJYSPCS-UHFFFAOYSA-N
-rxn:4:183842:225918,CCOC(=O)c1cc(-c2ccc(OC(F)(F)F)cc2OCCN2CCOC(C)C2)c(F)cc1Cl,OWZRARFTWCYDGI-UHFFFAOYSA-N
-rxn:4:183911:226526,COC(=O)c1ccc(OC)c(-c2ccc(OC(F)(F)F)cc2OCCN2CCCCC2C)c1,GCQDTPYQXJJMDH-UHFFFAOYSA-N
-rxn:4:183934:223598,COC(=O)C1CCN(CCCc2ccccc2-c2ccc(OCCN3CCC4(CC3)OCCO4)c(F)c2)CC1,SXGRYSCYIMUMQL-UHFFFAOYSA-N
-rxn:4:183985:223052,CC(C)NC(=O)c1cccc(-c2ccc(O[Si](C(C)C)(C(C)C)C(C)C)cc2C#N)c1F,NAAAZAPYANXLJJ-UHFFFAOYSA-N
-rxn:4:184004:225773,COc1ccc(CCN2C(=O)C(=Cc3ccc(-c4cc(C(=O)OC(C)C)ccc4F)cc3)SC2=S)cc1OC,NQXYEGRKAUTKEX-UHFFFAOYSA-N
-rxn:4:184014:223163,CCNC(=O)c1cccc(-c2cccc(OCC3CCN(C(=O)OC(C)(C)C)CC3)c2)c1F,NRLZQBMWJAKCKL-UHFFFAOYSA-N
-rxn:4:184014:224764,CC(C)(C)OC(=O)N1CCC(COc2cccc(-c3ccc(C(=O)N4CCOCC4)cc3F)c2)CC1,MLMIFTNRFPBYGQ-UHFFFAOYSA-N
-rxn:4:184025:224255,CC1CCCN(C(=O)c2cc(F)cc(-c3ccc(Cl)c(OCC4CCN(C(=O)OC(C)(C)C)CC4)c3)c2)C1,OXSZHNLIYWDBQL-UHFFFAOYSA-N
-rxn:4:184027:224885,CC1CCN(Cc2ccccc2-c2ccc(OCC3CCN(C(=O)OC(C)(C)C)CC3)c(F)c2)CC1,SWAWDLVASWIGTC-UHFFFAOYSA-N
-rxn:4:184029:224036,CC(C)(C)OC(=O)N1CCC(COc2cccc(-c3ccc(-c4ccc(C(C)(C)C)cc4)cc3)c2F)CC1,CSOIEOUEVFWLIV-UHFFFAOYSA-N
-rxn:4:184031:223084,CC(C)(C)OC(=O)N1CCCC(COc2cc(F)cc(-c3cnc(N4CCC(O)CC4)nc3)c2)C1,GJYUVIMDAKUXCG-UHFFFAOYSA-N
-rxn:4:184034:223958,CCOC(=O)C1CCN(S(=O)(=O)c2cc(-c3ccc(C(=O)N4CCN(CC)CC4)c(F)c3)c(C)cc2OC)CC1,NMHLJSRBBRAWAK-UHFFFAOYSA-N
-rxn:4:184034:224703,CCOC(=O)C1CCN(S(=O)(=O)c2cc(-c3cc(C4CCCC4)cc(C(F)(F)F)c3)c(C)cc2OC)CC1,ISHBBZVCLIGRJB-UHFFFAOYSA-N
-rxn:4:184043:224648,COc1ccc(CN(C(=O)c2ccccc2-c2ccc(O[Si](C)(C)C(C)(C)C)cc2Cl)C2CCS(=O)(=O)C2)cc1,HXDCPAYRFFOLQS-UHFFFAOYSA-N
-rxn:4:184054:224270,CC(C)CS(=O)(=O)C1CCN(C(=O)Cc2ccc(-c3cn(C(=O)OC(C)(C)C)c4ncccc34)cc2)CC1,CHRUDUOZUGEHJK-UHFFFAOYSA-N
-rxn:4:184062:227038,COc1ccc(C(C)C)cc1-c1ccc(CN(C(=O)OC(C)(C)C)C2CCCC2)cc1C,MFYNBVVKIBJYAH-UHFFFAOYSA-N
-rxn:4:184066:224470,COCCOc1ccc2cc(-c3c(Cl)cccc3CN(C(=O)OC(C)(C)C)C3CCCCC3)ccc2c1,JVTBJKHJPJJYDR-UHFFFAOYSA-N
-rxn:4:184070:224732,COC(=O)C1(c2ccc(-c3ccc(S(=O)(=O)OCC(C)(C)C)cc3)cc2C)CCN(C(=O)OC(C)(C)C)C1,JGUKEPUMVZIVHC-UHFFFAOYSA-N
-rxn:4:184076:223624,Cc1cc(C(C)(C)C)ccc1OCc1cccc(-c2ccccc2CCC(=O)N2CCC(S(=O)(=O)c3ccccc3)CC2)c1,HFHZWMXXUSWUKK-UHFFFAOYSA-N
-rxn:4:184089:223623,COc1ccc(CN(C2CCCCC2)S(=O)(=O)c2ccc(-c3ccccc3COc3ccc(C(C)(C)C)cc3C)cc2)cc1,UEKLVQFRRFGAHK-UHFFFAOYSA-N
-rxn:4:184096:223289,CNS(=O)(=O)c1ccccc1-c1ccc(CN(C(=O)OC(C)(C)C)C2CCC(C)(C)CC2)cc1,GZRWVTVLQMRJIA-UHFFFAOYSA-N
-rxn:4:184099:223656,Cc1cc2c(-c3ccc(C(C)N(C(=O)OC(C)(C)C)C4CCC(C)(C)CC4)cc3)ccnc2n1S(=O)(=O)c1ccccc1,WLWLFYPHAXWNNI-UHFFFAOYSA-N
-rxn:4:184099:224102,CC(c1ccc(-c2cccc(C(=O)OCc3ccccc3)c2)cc1)N(C(=O)OC(C)(C)C)C1CCC(C)(C)CC1,UPDXOROCKVBRHS-UHFFFAOYSA-N
-rxn:4:184100:226059,Cc1cc(CN(C(=O)OC(C)(C)C)C2CCC(C)(C)CC2)cc(-c2ccc(C(C)C)cc2C(C)C)c1,TWARPBDJZMBTPT-UHFFFAOYSA-N
-rxn:4:184132:222679,COC(=O)c1cc(-c2cc(NC(=O)OC(C)(C)C)ccc2OC)cc2c1ccn2CC(=O)OC(C)(C)C,LAPIXXUAYUGNPS-UHFFFAOYSA-N
-rxn:4:184136:224490,CCOC(=O)c1cc2cc(-c3ccccc3OCCN3CCCCC3)ccc2n1C(=O)OC(C)(C)C,CMIFIBLWGGQPOV-UHFFFAOYSA-N
-rxn:4:184181:225328,CCCSc1ncc(C(F)(F)F)cc1-c1ccc(CN(C(=O)OC(C)(C)C)C(C)C)c2ccccc12,HGLPAFBVOODNKN-UHFFFAOYSA-N
-rxn:4:184191:223977,CC(C)(C)OC(=O)c1ccc(C(F)(F)F)cc1-c1ccc2c(c1)C(=O)C(=O)N2CCCOc1ccc(C(C)(C)C)cc1,MTQOXXALFHYGKJ-UHFFFAOYSA-N
-rxn:4:184217:224863,COc1cccc(CN(C(=O)c2oc3ccc(-c4ccccc4CN(C(C)C)C(C)C)cc3c2C)C2CCS(=O)(=O)C2)c1,HYHZVLBACLHMFU-UHFFFAOYSA-N
-rxn:4:184221:223541,COC(=O)c1c(-c2ccccc2)c2cc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCC4(CC3)OCCO4)ccc2c(=O)n1Cc1ccc(S(C)(=O)=O)cc1,SMEFPDQCCPAZES-UHFFFAOYSA-N
-rxn:4:184387:223969,COC(=O)Cc1cc(C#N)c(C(F)F)cc1-c1cc(C(F)(F)F)ccc1N1CCC(C)CC1,LTORVTKBJGGBRT-UHFFFAOYSA-N
-rxn:4:184432:223505,CCOC(=O)c1ccc(C(F)F)c(-c2ccc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cc2)c1C#N,YJKHTRHISKUMOU-UHFFFAOYSA-N
-rxn:4:184476:224080,CCOC(=O)c1cc(C#N)cc(C(F)(F)F)c1-c1ccc(OCCCN2CCCCC2)cc1,BHWBAFZWBFSZIW-UHFFFAOYSA-N
-rxn:4:184513:223491,CCCCOC(=O)c1ccnc(Cl)c1-c1cc(N2CCN(C(=O)OC(C)(C)C)CC2)cc(C(F)(F)F)c1,PAEXTRYIJZZHGZ-UHFFFAOYSA-N
-rxn:4:184680:222722,CCN(Cc1ccc(-c2cccc(S(=O)(=O)N3CCC(O)CC3)c2)c(F)c1)CC(F)(F)F,KZHHXKPSSCWORU-UHFFFAOYSA-N
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-rxn:4:184695:222798,Cc1cc(S(=O)(=O)NC(C)(C)C)ccc1-c1cc(OC(F)(F)F)cc(C(=O)ON2C(=O)CCC2=O)c1,UZNSIFCPPMNYPY-UHFFFAOYSA-N
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-rxn:4:184894:223972,CCOC(=O)CN1C(=O)C(=Cc2cccc(-c3ccc(N4CCCCC4C)cc3C(F)(F)F)c2)SC1=S,CKCLHPACDFGQHA-UHFFFAOYSA-N
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-rxn:4:185030:224563,Cc1ccc(-c2ccc(OCCCN3CCC(F)(F)CC3)cc2)c(O[Si](C)(C)C(C)(C)C)c1,ANKWQJPMSZSUNQ-UHFFFAOYSA-N
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-rxn:4:185415:224242,O=C(CC1CCCCC1)N(c1ccc(-c2ccc(OCc3ccc(Cl)cc3)cc2F)cc1)C1C=CS(=O)(=O)C1,OAKXSFDXOJSBHU-UHFFFAOYSA-N
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-rxn:4:185448:225208,Cc1nc(N2CCCC(C)C2)ncc1-c1cc(C2CCOCC2)cc(C2CCN(C(=O)OC(C)(C)C)CC2)c1,VMZKGIMBHDZBFR-UHFFFAOYSA-N
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-rxn:4:186352:223828,CCN1CCN(c2cc(-c3ccc(CN(C)C)c(OC(F)(F)F)c3)cc(C(F)(F)F)c2)CC1,IMKZUUJDRSFQDI-UHFFFAOYSA-N
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-rxn:4:186720:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2cc(OC(F)F)cc(C(=O)N3CCCC3)c2)cc1,AWBWPPDJVRWKOI-UHFFFAOYSA-N
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-rxn:4:186941:224008,O=C(CCc1ccc(-c2cc(C(=O)N3CCOCC3)cc([N+](=O)[O-])c2)cc1)N1CCOCC1,BSOBAYPUPCXSEO-UHFFFAOYSA-N
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-rxn:4:186992:222887,O=C(CS(=O)(=O)c1ccccc1-c1cccc(C(=O)N2CCNCC2)c1)N1CCOCC1,PPSPESUMFXCNMG-UHFFFAOYSA-N
-rxn:4:187023:223079,CC(C)NS(=O)(=O)c1cccc(-c2cc(OC(F)F)cc(C(=O)N3CCC(F)(F)CC3)c2)c1,OHYYLOPHLHWHIE-UHFFFAOYSA-N
-rxn:4:187064:224370,CCOc1cc(S(=O)(=O)N2CCCC2)ccc1-c1cc(C(F)(F)F)ccc1C(=O)OC(C)C,IBAVGPIMENDSAI-UHFFFAOYSA-N
-rxn:4:187074:224591,COC(=O)c1ccc(-c2ccc(Cl)c(CN3CCC(C)CC3)c2)cc1CN1CCOCC1,BYVKQXJUVGZXFH-UHFFFAOYSA-N
-rxn:4:187093:224289,CN(C(=O)OC(C)(C)C)c1ccc(-c2ccc(S(=O)(=O)N3CCCCC3)c(OC(F)(F)F)c2)c(F)c1,XJQQEENAYSGMNA-UHFFFAOYSA-N
-rxn:4:187094:225893,COCCOc1c(Cl)ccc(-c2ccc(CN3CCC(F)(F)CC3)c(OC(F)(F)F)c2)c1F,GHKQHMAHNPESBB-UHFFFAOYSA-N
-rxn:4:187135:223671,COc1cc(-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)cc(OC)c1C(=O)N1CCOCC1,LCQXFKYFXKHEAI-UHFFFAOYSA-N
-rxn:4:187143:222614,O=C(Cc1ccc(Cl)c(-c2ccc(S(=O)(=O)NC3CC3)cc2C(F)(F)F)c1)N1CCC(C(F)(F)F)CC1,UASPTCNWOMGDNF-UHFFFAOYSA-N
-rxn:4:187146:226302,CCOC(=O)c1ccc(-c2ccc(F)cc2CC(=O)N2CCCC(C(F)(F)F)C2)c(C)c1,ZYDBKUFQWZVZLU-UHFFFAOYSA-N
-rxn:4:187156:225333,O=C(CS(=O)(=O)c1ccccc1-c1ccc(COCC(F)(F)F)c(F)c1)N1CCC(F)(F)CC1,KMVOQYIGWVFZEJ-UHFFFAOYSA-N
-rxn:4:187167:223635,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3ncccc3CO[Si](C)(C)C(C)(C)C)cc2)CC1,AWSWAHUAOWDVQD-UHFFFAOYSA-N
-rxn:4:187168:223569,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(F)c(-c3ccncc3CO[Si](C)(C)C(C)(C)C)cnc21,IZGDTGLZHMXPIY-UHFFFAOYSA-N
-rxn:4:187209:224884,COC(=O)C1CCN(Cc2ccc(-c3cccc(CN4CCC(C)CC4)c3)cc2F)CC1,GPPWYXKPGYFEQI-UHFFFAOYSA-N
-rxn:4:187221:222886,CC(C)(C)OC(=O)N1CC(c2ccc(F)cc2-c2ccc(N3CCNCC3)cc2C#N)C1,MXCZMTIAUQYHKH-UHFFFAOYSA-N
-rxn:4:187222:222886,CC(C)(C)OC(=O)N1CC(c2cc(F)ccc2-c2ccc(N3CCNCC3)cc2C#N)C1,QDOMXUCNBDZGRC-UHFFFAOYSA-N
-rxn:4:187251:225363,O=C(c1ccc(-c2ccc(F)c(CCN3CCCC(C(F)(F)F)C3)c2)cn1)N1CC(F)(F)C1,HDENFEBJDZRTEF-UHFFFAOYSA-N
-rxn:4:187276:228756,CSc1ccc(-c2cc(C(F)(F)F)cc(S(=O)(=O)N3CCC(C(F)(F)F)CC3)c2)c(C)n1,TYVVGYKVFQLKNE-UHFFFAOYSA-N
-rxn:4:187286:223888,Cc1ccc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CCC3)c(C(=O)N(C(C)C)C(C)C)c1,FMPICHWTERAFGX-UHFFFAOYSA-N
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-rxn:4:187323:225571,COC(=O)c1ccc(-c2ccc(CN3CCC(C)CC3)c(OC(F)(F)F)c2)c(C2CC2)c1,BBCISIHQRXLJPE-UHFFFAOYSA-N
-rxn:4:187325:225294,CCN1CCN(c2ncc(-c3cc(N4CCC(OC)CC4)c(F)cc3C(=O)OC)cn2)CC1,QFYMMIKXGFXINT-UHFFFAOYSA-N
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-rxn:4:187378:224481,CC1CCCN(C(=O)CS(=O)(=O)c2ccccc2-c2ccc(OCCCN3CCCC3)cc2)C1,BEDWWATXNGBYMU-UHFFFAOYSA-N
-rxn:4:187417:222823,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccccc2C2CCN(C(=O)OC(C)(C)C)C2)c(F)c1,WZIMBZPDOSBBGG-UHFFFAOYSA-N
-rxn:4:187433:223572,COC(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCC(C)CC3)c3ccccc23)c(CN2CCCC(C)C2)c1,ATOAXRRWZPZVQW-UHFFFAOYSA-N
-rxn:4:187479:222826,CCOc1cccc(-c2cccc(S(=O)(=O)N3CCNCC3)c2)c1CN1CCC(C)CC1,KQYLQEGSLTUAMG-UHFFFAOYSA-N
-rxn:4:187480:224738,CCOc1cccc(-c2cc(OCC3CC3)cc(C(F)(F)F)c2)c1CN1CCCC(C)C1,YOKZWSCZKITTCG-UHFFFAOYSA-N
-rxn:4:187484:222905,CCOc1ccc(-c2cccnc2NC(=O)OC(C)(C)C)cc1S(=O)(=O)N1CCCCC1C,FICKBDFCZFNPCE-UHFFFAOYSA-N
-rxn:4:187496:223970,Cc1ccc(-c2ccc(C3COCCN3C(=O)OC(C)(C)C)cc2)cc1S(=O)(=O)N1CCC(C)CC1,HVEBKSJTNPPDNL-UHFFFAOYSA-N
-rxn:4:187505:226555,CCCOc1cc(-c2ccc(C3CN(C(=O)OC(C)(C)C)CCO3)c(Cl)c2)c(F)cc1F,RCHHLNPUBVSNKU-UHFFFAOYSA-N
-rxn:4:187548:223916,CCN(C(=O)c1cc(C)cc(-c2ccc(C(=O)N3CCN(C(C)C)CC3)cc2)c1)C1CCCCC1,OWYHCBZOFWJCHR-UHFFFAOYSA-N
-rxn:4:187554:224722,CN(C(=O)OC(C)(C)C)c1cc(-c2cccc(C(=O)N3CCC(S(=O)(=O)C(C)(C)C)C3)c2)ccn1,VNLQDLWELJESLR-UHFFFAOYSA-N
-rxn:4:187561:222918,CC(C)(C)NS(=O)(=O)c1cccc(-c2ccc(Cl)c(C(=O)N3CCC(S(=O)(=O)C(C)(C)C)C3)c2)c1,CSUREYYFEMFJFQ-UHFFFAOYSA-N
-rxn:4:187561:222919,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc(Cl)c(C(=O)N3CCC(S(=O)(=O)C(C)(C)C)C3)c2)cc1,ZLXWBJLBGYMGMM-UHFFFAOYSA-N
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-rxn:4:187561:226910,CCC(C)(C)c1ccc(-c2ccc(Cl)c(C(=O)N3CCC(S(=O)(=O)C(C)(C)C)C3)c2)cc1,VQEYDQPERAVQFK-UHFFFAOYSA-N
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-rxn:4:187571:222899,CCCCNS(=O)(=O)c1ccc(-c2ccc(C3CCN(C(=O)OC(C)(C)C)CC3)cc2)cc1,BDLDNKXJCQWSEU-UHFFFAOYSA-N
-rxn:4:187573:223888,CC(C)(C)OC(=O)N1CCC(c2cccc(-c3ccc4c(c3)N(C(=O)OC(C)(C)C)CCC4)c2)CC1,COZYFHAODWBSNU-UHFFFAOYSA-N
-rxn:4:187575:222945,CC(C)NS(=O)(=O)c1ccc(-c2cccc(C3CCCN(C(=O)OC(C)(C)C)C3)c2)cc1F,BWBUBXXHXRZVSO-UHFFFAOYSA-N
-rxn:4:187576:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2ccccc2C2CCCN(C(=O)OC(C)(C)C)C2)cc1,BOHAVJZNMCHETE-UHFFFAOYSA-N
-rxn:4:187588:222823,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc(C3(F)CCN(C(=O)OC(C)(C)C)CC3)cc2)c(F)c1,RQMZMYKNIOTKOE-UHFFFAOYSA-N
-rxn:4:187589:224883,CC(c1ccc(-c2cc(C3CCCN(C(=O)OC(C)(C)C)C3)ccc2F)cc1)N1CCCCC1,VGHUYXWGAZNSLM-UHFFFAOYSA-N
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-rxn:4:187597:223239,O=C(c1cccc(-c2cncc(C3CCCN3)c2)c1)N1CC(S(=O)(=O)C2CCCCC2)C1,ISZZJWRNQNPVFV-UHFFFAOYSA-N
-rxn:4:187607:224394,Cc1ccc(-c2ccc(C(=O)c3cccc(CN4CCCCC4)c3)cc2F)cc1S(=O)(=O)N1CCOCC1,SRAULNGAMUJAML-UHFFFAOYSA-N
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-rxn:4:187687:222747,O=C(NCC1CCCO1)c1ccc(-c2ccc(C(=O)c3ccccc3CN3CCC4(CC3)OCCO4)cc2)cc1,HAWNIBXPHDMSKC-UHFFFAOYSA-N
-rxn:4:187691:224501,CN1CCCCC1COc1ccc(-c2ccc(C(=O)c3cccc(CN4CCC5(CC4)OCCO5)c3)c(F)c2)cc1,NDOWRXODEOYCKQ-UHFFFAOYSA-N
-rxn:4:187695:226421,CC(C)(C)[Si](C)(C)OC1CCN(c2cc(F)cc(-c3ccc(Cl)cc3N3CCCC3)c2)CC1,GXPOJYPFKPTNML-UHFFFAOYSA-N
-rxn:4:187809:222613,CCCCCN1C(=O)C(=O)c2cc(-c3ccc(S(=O)(=O)NCCC)cc3C(F)(F)F)cc(C)c21,SOCPUGRANUCHTB-UHFFFAOYSA-N
-rxn:4:187810:224593,COC(=O)c1cc(-c2ccc(F)c(CN3CCC(C)CC3)c2)cc2c1CCN2CC1CC1,SFESQOWDVFKUKC-UHFFFAOYSA-N
-rxn:4:187853:222545,Cc1ccc(OCCN2C(=O)C(=O)c3cc(-c4ccc(C(C)(C)NC(=O)OC(C)(C)C)cc4)ccc32)cc1,VLCPPKKZRYKZJH-UHFFFAOYSA-N
-rxn:4:187912:224932,COc1ccc(CN(C)C(C)C)cc1-c1ccc(OC)c2c1CN(C(=O)OC(C)(C)C)CC2,ZNJYEFWSKNLPTJ-UHFFFAOYSA-N
-rxn:4:187922:224258,CCOc1cccc(CN2Cc3cc(-c4ccc(C(=O)N5CCCCC5C)cc4Cl)ccc3OCC2=O)c1,SIAYKKFCODDYRM-UHFFFAOYSA-N
-rxn:4:187934:224323,COc1ccc(CN2Cc3cc(-c4cc(C)c(S(=O)(=O)N5CCCC5)c(C)c4)ccc3OCC2=O)c(OC)c1,TWLSBBGYNJFXNS-UHFFFAOYSA-N
-rxn:4:187950:225805,CC(c1ccc(-c2ccc(C(=O)N3C4CCC3CC(S(=O)(=O)c3ccccc3)C4)o2)s1)N1CCOCC1,LSLOSXUVEIMVNP-UHFFFAOYSA-N
-rxn:4:187961:225128,COC(=O)Cc1cc2c(n1-c1ccc(-c3cc(C4(C(=O)OC)CC4)ccc3F)cc1)CC(C)(C)CC2=O,DMBMIPGKGMAILB-UHFFFAOYSA-N
-rxn:4:187968:222707,CC(C)[Si](C(C)C)(C(C)C)n1ccc2cc(-c3ccnc(CNC(=O)OC(C)(C)C)c3F)ccc21,QFEKQFZXMWXBJT-UHFFFAOYSA-N
-rxn:4:187970:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2cn([Si](C(C)C)(C(C)C)C(C)C)c3ccccc23)cc1,MQDDIQNCTPGTTD-UHFFFAOYSA-N
-rxn:4:187971:223873,CC1CCN(C(=O)CCc2ccccc2-c2ccc3ccn([Si](C(C)C)(C(C)C)C(C)C)c3c2)CC1,QMPRMWIXQRXUQV-UHFFFAOYSA-N
-rxn:4:187973:223055,Cc1nc(N2CCNCC2)ccc1-c1ccccc1C(=O)N1C2CCC1CC(S(=O)(=O)c1ccccc1)C2,DBNRPCKNZFXASN-UHFFFAOYSA-N
-rxn:4:187985:223830,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(C45CCOCC4N(C(=O)OC(C)(C)C)CC5)cc3)ccc2C)CC1,NKQZPLKMCSSIHE-UHFFFAOYSA-N
-rxn:4:187996:224529,CC(C)(C)OC(=O)N1CCC(C2CC(=O)c3ccc(-c4ccc(COc5ccc(Cl)cc5)cc4)cc3O2)CC1,KVEWZBWJSWTZFY-UHFFFAOYSA-N
-rxn:4:188013:223881,Cc1ccc2cc(-c3ccc(C(=O)Oc4ccc(N5C(=O)C6C7CCC(C7)C6C5=O)cc4)cc3)n(C(=O)OC(C)(C)C)c2c1,NMYPJCVXARQRQK-UHFFFAOYSA-N
-rxn:4:188026:224078,CC(C)c1ccc(C2c3c(oc4ccc(-c5cccc6c5ccn6[Si](C)(C)C(C)(C)C)cc4c3=O)C(=O)N2CC2CCCO2)cc1,BHNNKMHWOGVUJY-UHFFFAOYSA-N
-rxn:4:188615:223594,CCOc1ccc(F)c([N+](=O)[O-])c1-c1cc(Cl)cc(N2CCN(C(=O)OC(C)(C)C)CC2)c1,VMGXTKAKJJWQJP-UHFFFAOYSA-N
-rxn:4:189341:222466,CN(C(=O)c1ccc(-c2cc(C3CCCCC3)nc(C3CCNCC3)c2)cc1F)C1CC1,DJPJHFFGOAMAFO-UHFFFAOYSA-N
-rxn:4:189345:222466,CN(C(=O)c1ccc(-c2cc(C3CCCCC3)nc(C3CCNCC3)c2)c(F)c1)C1CC1,QYGFPYSDRWYTCM-UHFFFAOYSA-N
-rxn:4:189389:224821,O=C1C=CC(=NOC(=O)c2ccc(-c3ccc(F)c(S(=O)(=O)N4CCCC4)c3)cc2)C=C1,RMWICSXAXQZVKN-UHFFFAOYSA-N
-rxn:4:189452:223832,COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1-c1cc(F)c(C(=O)N2CCC2)cc1OC,DWHXSQTVNHZHAH-UHFFFAOYSA-N
-rxn:4:189580:222715,CC(C)(C)OC(=O)Nc1cc(-c2cnc(OC3CCCC3)c(C(F)(F)F)c2)cc(Cl)c1F,IUHYIKQEXPOISJ-UHFFFAOYSA-N
-rxn:4:189650:223828,CCN1CCN(c2cc(-c3cnc(C(=O)OC(C)(C)C)c(C)c3)cc(C(F)(F)F)c2)CC1,GYWJJPWTIFDPTI-UHFFFAOYSA-N
-rxn:4:189677:223490,Cc1ccc(-c2cnc(OCC3CCOCC3)c(F)c2)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,WHUCSBIQSOYUEW-UHFFFAOYSA-N
-rxn:4:189769:223698,COC(c1cccc(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCCC3)c2)n1)C(C)(C)C,KIUHROHAEKIEBN-UHFFFAOYSA-N
-rxn:4:189801:223474,COc1cc(-c2ccc(OCc3ccccc3)c(C34CC5CC(CC(C5)C3)C4)c2)ccc1C(=O)N1CCCC1,HMONZLLCRMVDER-UHFFFAOYSA-N
-rxn:4:189849:224594,CC(=O)N1CCCCC1c1ccccc1-c1ccc(C(=O)C(C)N2C(=O)CCC2=O)cc1,YAHMPAYSZKVHPS-UHFFFAOYSA-N
-rxn:4:189869:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2ccc(C(=O)N3CCSCC3)cc2C(F)(F)F)cc1,PTPWYFGBOMUSLO-UHFFFAOYSA-N
-rxn:4:189886:222821,CC(C)(C)NS(=O)(=O)c1cc(-c2ccc(C(F)(F)F)c(F)c2C(=O)N2CCOCC2)ccc1F,VLQQPGGHGPVVHK-UHFFFAOYSA-N
-rxn:4:189888:226477,CCCCOc1ncc(Cl)cc1-c1ccc(S(=O)(=O)N2CCC(F)(F)C2)c(C(F)(F)F)c1,QFSXVYRRESCTRQ-UHFFFAOYSA-N
-rxn:4:189918:222542,Cc1ccc(-c2ccc([N+](=O)[O-])c(OC3CCCCC3)c2)cc1OCCCN1CCNCC1,OHLVJYMDVRWOMM-UHFFFAOYSA-N
-rxn:4:189918:222636,C[C@@H](NC(=O)OC(C)(C)C)c1ccc(-c2ccc([N+](=O)[O-])c(OC3CCCCC3)c2)cc1,WXFSMYFZAKQZBQ-QGZVFWFLSA-N
-rxn:4:189989:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3cccc(CN4CCOCC4)c3OC)c2)CC1,RTPVPYHRZAVZDC-UHFFFAOYSA-N
-rxn:4:189990:222545,Cc1ccc(/C=N/[S@](=O)C(C)(C)C)cc1-c1ccc(C(C)(C)NC(=O)OC(C)(C)C)cc1,SPLHJADJTCQDAA-NYGSHHGDSA-N
-rxn:4:190033:222935,C#Cc1ccc(-c2ccc(CNS(=O)(=O)N(C)C)cc2)cc1N1CCCC(C(F)(F)F)C1,VBMMTHLUUUNDRQ-UHFFFAOYSA-N
-rxn:4:190052:225118,COC(=O)c1cc(-c2ccc(C(F)(F)F)c(C(=O)N3CCCCC3)c2)ccc1OC(C)C,OYQGTQCELPYLPJ-UHFFFAOYSA-N
-rxn:4:190052:225290,CC(C)Oc1cc(-c2ccc(C(F)(F)F)c(C(=O)N3CCCCC3)c2)cc(C(F)(F)F)c1,ZZAXPBJJGBECIA-UHFFFAOYSA-N
-rxn:4:190056:224821,O=C(Cc1cc(F)ccc1-c1ccc(F)c(S(=O)(=O)N2CCCC2)c1)N1CCCC(F)(F)C1,VLRSVGZEENCXAT-UHFFFAOYSA-N
-rxn:4:190120:223599,CC(C)(C)OC(=O)n1c(-c2cc(S(C)(=O)=O)ccc2CN2CCCC2)cc2cc(C(F)(F)F)ccc21,SRLWONZOERPKCJ-UHFFFAOYSA-N
-rxn:4:190275:225293,COc1cc(C)c(-c2ccc(C(F)(F)F)c(OC(C)C)c2)cc1S(=O)(=O)N1CCOCC1,PDFRSPMNDDVYHO-UHFFFAOYSA-N
-rxn:4:190322:224350,CCS(=O)(=O)N1CCC(c2ccc(-c3cnc(C4CCCCC4)c(C(F)(F)F)c3)cc2)CC1,FGHGTIJNQQDSDX-UHFFFAOYSA-N
-rxn:4:190325:222604,COc1ccc(-c2ccc(CN3CCCCC3)c(S(C)(=O)=O)c2)cc1S(=O)(=O)NC1CCCC1,YPRIUXOYYSLFBP-UHFFFAOYSA-N
-rxn:4:190330:222809,CC(C)S(=O)(=O)N1CCCC1c1ccc(-c2cc(Cl)ncc2NC(=O)OC(C)(C)C)cc1,WGMMEBIHIBUJNO-UHFFFAOYSA-N
-rxn:4:190377:224248,COc1ccc(-c2ccc(C(=O)N3CCC(C)CC3)c(Cl)c2)cc1S(=O)(=O)N1CCC(C)CC1,ILYGKZOFHMUFDG-UHFFFAOYSA-N
-rxn:4:190379:224326,COc1cc(S(=O)(=O)N2CCCC(C)C2)ccc1-c1ccc(S(=O)(=O)N2CCCCC2)c(C)c1,QMHFCDQGDCLNCC-UHFFFAOYSA-N
-rxn:4:190387:223499,CCC(=O)C1CCCN(c2cccc(C)c2-c2ccc(Cl)c(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)C1=O,DTTDABYTVJLQJH-UHFFFAOYSA-N
-rxn:4:190410:224082,CCC(C(=O)OC(C)(C)C)c1cccc(-c2ccc(C3CCN(C(=O)C(C)C)CC3)cc2)c1,UTASJDISSHNTGO-UHFFFAOYSA-N
-rxn:4:190426:224488,CC(C)N(C(=O)c1ccc(-c2ccc(C3CCN(S(=O)(=O)C(C)C)CC3)cc2)cc1)C(C)C,XADIZAKLKMXOGI-UHFFFAOYSA-N
-rxn:4:190487:225977,COc1cc(S(=O)(=O)N2CC(C)CC(C)C2)c(C)cc1-c1cc(Cl)cnc1N1CCOCC1,GLFLWJRJEUHVLO-UHFFFAOYSA-N
-rxn:4:190496:222773,CC1CCN(Cc2cc(-c3ccc(C(=O)NC4CCOCC4)cc3)cc(C(C)(C)C)c2)CC1,QLOOGWJNJMKJSS-UHFFFAOYSA-N
-rxn:4:190599:224175,COC(=O)CN1C(=O)C(=O)c2cc(-c3cc(OC)ccc3C(=O)OCC(C)(C)C)ccc21,WLMNUSKHWAJARF-UHFFFAOYSA-N
-rxn:4:190782:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3ccc4c(ccn4C(=O)OC(C)(C)C)c3)cc21,IRDCOXBLPXHYFS-UHFFFAOYSA-N
-rxn:4:190828:224719,CC(C)c1nn(C(=O)OC(C)(C)C)cc1-c1ccc2c(c1)N(C(=O)OC(C)(C)C)C(=O)C2,BTBZBQZYLCRYFG-UHFFFAOYSA-N
-rxn:4:190855:224420,Cc1cc2c(cc1-c1scc3c1CCN(C(=O)OC(C)(C)C)C3)C(C)(C)CCC2(C)C,NEKMQOVRUKFHPT-UHFFFAOYSA-N
-rxn:4:190871:224936,COc1ccc(-c2ccc(CC(=O)OC(C)(C)C)cc2)c2c1CCN(C(=O)C(F)(F)F)CC2,ITFRVHJVBMOMKU-UHFFFAOYSA-N
-rxn:4:190927:222823,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc3c(c2)CCN(C(=O)OC(C)(C)C)C3=O)c(F)c1,VILFXLVJNGMVED-UHFFFAOYSA-N
-rxn:4:190930:223536,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cccc4c3CN(C(=O)OC(C)(C)C)CC4=O)cc(F)c2F)CC1,LJBPOEOWMRVYML-UHFFFAOYSA-N
-rxn:4:190957:223994,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cccc2c1CCCN2C(=O)OC(C)(C)C,WEOSCUVDLIQSPB-UHFFFAOYSA-N
-rxn:4:190960:224721,Cc1nn(CC(=O)OC(C)(C)C)c(C)c1-c1ccc2c(c1)C(C)N(C(=O)OC(C)(C)C)C2,DSPXQNXVAJHEQR-UHFFFAOYSA-N
-rxn:4:190978:222912,CC(C)CNS(=O)(=O)c1ccc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CCS3(=O)=O)cc1,IWAUGCKEBCWGCM-UHFFFAOYSA-N
-rxn:4:191008:223098,CC(=O)NS(=O)(=O)c1ccc(-c2ccc3c(c2)C(=O)N(C(=O)OC(C)(C)C)C3(C)C)cc1,BRQIMPKAQINUDA-UHFFFAOYSA-N
-rxn:4:191045:224409,FC(F)(F)COc1cc(-c2ccc(CN3CCC(C(F)(F)F)CC3)c3ccccc23)cc(C(F)(F)F)c1,OFWNUUFQYSNSDV-UHFFFAOYSA-N
-rxn:4:191057:222918,CC(C)(C)NS(=O)(=O)c1cccc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC32CC2)c1,XWZVXPDBAJMJIQ-UHFFFAOYSA-N
-rxn:4:191059:224369,CCC1CCCCN1C(=O)c1cc2cc(-c3cc(S(=O)(=O)N(CC)CC)c(C)cc3F)ccc2oc1=O,ZBBVGUDUIODAKB-UHFFFAOYSA-N
-rxn:4:191088:222936,CCC(=O)NS(=O)(=O)c1ccc(-c2ccc3c(c2)C(C)(C)CCN3C(=O)OC(C)(C)C)cc1,LWJVYGLWNTYOTR-UHFFFAOYSA-N
-rxn:4:191097:224728,COc1cc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)c(C(=O)OC(C)(C)C)cn1,FLJMPEYFZXNECL-UHFFFAOYSA-N
-rxn:4:191121:224737,CC(C)COc1ccc(-c2ccc3c(c2F)C(=O)C2(CCN(C(=O)OC(C)(C)C)CC2)C3)c(C(F)(F)F)c1,BFPMWEZIUWXQLD-UHFFFAOYSA-N
-rxn:4:191124:223788,CC(C)(C)OC(=O)N1CCC2(CCc3ccc(-c4ccc(OC5CN(C(=O)OC(C)(C)C)C5)cc4)cc32)CC1,AKZTUAJUMGELBD-UHFFFAOYSA-N
-rxn:4:191124:227272,COCc1ccc(OC)c(-c2ccc3c(c2)C2(CC3)CCN(C(=O)OC(C)(C)C)CC2)c1,MDEXWNCIFLYCBV-UHFFFAOYSA-N
-rxn:4:191125:223098,CC(=O)NS(=O)(=O)c1ccc(-c2ccc3c(c2)CCC32CCN(C(=O)OC(C)(C)C)CC2)cc1,OVYWGXSSBNQLMD-UHFFFAOYSA-N
-rxn:4:191129:224272,CC(C)(C)OC(=O)N1CCC2(CCc3cc(-c4cc5ccncc5n4C(=O)OC(C)(C)C)ccc3O2)CC1,MJDVPOLQSFMZJP-UHFFFAOYSA-N
-rxn:4:191129:226021,CC(C)(C)OC(=O)N1CCC2(CCc3cc(-c4cc(Cl)ccc4OCC(F)(F)F)ccc3O2)CC1,XKLQYZTVADUNLS-UHFFFAOYSA-N
-rxn:4:191130:227014,CC(C)CSc1cccc(-c2ccc3c(c2)OC2(CC3)CCN(C(=O)OC(C)(C)C)CC2)c1,KYIUAMKAQGPGGY-UHFFFAOYSA-N
-rxn:4:191204:223799,CN1C(=O)C(S(=O)(=O)c2ccc(C(C)(C)C)cc2)C2CC1(C)Oc1ccc(-c3ccc(C(F)(F)F)c(OCc4ccccc4)c3)cc12,YDHADBNOQXRMNU-UHFFFAOYSA-N
-rxn:4:193282:224399,O=C(c1c(F)cc(-c2ccc(N3CCOCC3)cc2C(F)(F)F)cc1Cl)N1CCSCC1,GGRAXWXPAKLELY-UHFFFAOYSA-N
-rxn:4:193295:224763,O=C(c1ccc(Cl)cc1-c1cccc(N2CCC(F)(F)C2)c1C(F)(F)F)N1CCOCC1,FSEUPCOPKRKUHU-UHFFFAOYSA-N
-rxn:4:193408:224573,CC1CCCCN1c1ccc(-c2cc(F)cc(F)c2S(=O)(=O)N2CCOCC2)c(C#N)c1,CPHHBQRNWQNTDF-UHFFFAOYSA-N
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-rxn:4:202674:222675,COc1cc(-c2cnc3c(ccn3[Si](C(C)C)(C(C)C)C(C)C)c2)ccc1NC(=O)OC(C)(C)C,ZIPIFZBVGHLQTI-UHFFFAOYSA-N
-rxn:4:202675:223491,CC(C)[Si](C(C)C)(C(C)C)n1cc(-c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)cc(C(F)(F)F)c2)c2cccnc21,LKHUMHGTZFZOPS-UHFFFAOYSA-N
-rxn:4:202676:222545,CC(C)[Si](C(C)C)(C(C)C)n1ccc2ncc(-c3ccc(C(C)(C)NC(=O)OC(C)(C)C)cc3)cc21,ZPJYYEQWXMZZRL-UHFFFAOYSA-N
-rxn:4:202677:222647,Cc1cc(-c2ccnc3c2ccn3[Si](C(C)C)(C(C)C)C(C)C)c(C)cc1NC(=O)OC(C)(C)C,XSUXXEUMBBZNAM-UHFFFAOYSA-N
-rxn:4:202679:222725,CCNS(=O)(=O)c1ccc(-c2cc3ccn([Si](C(C)C)(C(C)C)C(C)C)c3c(Cl)n2)c(C(F)(F)F)c1,XWHAXLIMSGPPBO-UHFFFAOYSA-N
-rxn:4:202690:224607,CC1Oc2ccc(-c3ccc(C(=O)OCC[Si](C)(C)C)cc3)cc2CN(CCc2ccc(S(N)(=O)=O)cc2)C1=O,PNTZZARYEQTSAE-UHFFFAOYSA-N
-rxn:4:202703:223471,CCCN1C(=O)C(=C2SC(=S)N(CC3CCCO3)C2=O)c2cc(-c3cnn[nH]3)ccc21,RNHKQBVQDGBUCN-UHFFFAOYSA-N
-rxn:4:202714:223975,CC(C)(C)OC(=O)N1CCCC(c2cncc3ccc(-c4cn(C(=O)OC(C)(C)C)c5ccc(Cl)nc45)cc23)C1,OIFUJSCOJZDBKK-UHFFFAOYSA-N
-rxn:4:202734:223508,O=S(=O)(c1ccc(Cl)cc1)N1CCN(c2ccc(-c3ccc(S(=O)(=O)N4CCN(S(=O)(=O)c5ccc6ccccc6c5)CC4)cc3)cn2)CC1,YMNQCYVWBSGJSQ-UHFFFAOYSA-N
-rxn:4:202740:222842,COc1ccc(-c2cccc(C(=O)NC3CCCC3)c2)c(C(=O)N2CCC(N3CCc4sccc4C3)CC2)c1,CYKUVDLARPDILO-UHFFFAOYSA-N
-rxn:4:202753:224647,COc1cccc(CN2C(=O)C3(SCC(=O)N3c3ccc(-c4cc(O[Si](C)(C)C(C)(C)C)ccc4F)cc3)c3ccccc32)c1,CRADICFWMPETGD-UHFFFAOYSA-N
-rxn:4:202761:225047,COc1ccc(C2C3C(=O)N(c4ccc(-c5cnc(N6CCC(C)CC6)c(C)c5)cc4)C(=O)C3ON2c2ccccc2C)cc1,GZGLSQUUANEZNY-UHFFFAOYSA-N
-rxn:4:202796:224759,CC(=O)OCc1c(-c2cc(F)cc(C(=O)N3CCOCC3)c2)cccc1N1CCn2c(cc3c2CC(C)(C)C3)C1=O,FUBGQJGEVQWLLZ-UHFFFAOYSA-N
-rxn:4:202811:222526,O=C(N1CCC(Oc2ncccc2-c2cc3cc(OCc4ccccc4)ccc3[nH]2)CC1)C12CC3CC(CC(C3)C1)C2,ZOUILFGOOMROJT-UHFFFAOYSA-N
-rxn:4:202832:223541,N#CSc1ccc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC3(CC2)OCCO3)cc1[N+](=O)[O-],NTEUVAIOLAKIHY-UHFFFAOYSA-N
-rxn:4:203107:223541,CN(C)S(=O)(=O)Oc1cncc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC3(CC2)OCCO3)c1,UTCDRZSZANDZTI-UHFFFAOYSA-N
-rxn:4:203219:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2ccnc(C(=O)ON3C(=O)CCC3=O)c2)cc1,RPGCTXDGODAIBR-UHFFFAOYSA-N
-rxn:4:203221:223995,CN1CCN(c2cc(-c3cc(C(=O)ON4C(=O)CCC4=O)ccn3)cc(C(F)(F)F)c2)CC1,NSQFHASNFMERGA-UHFFFAOYSA-N
-rxn:4:203243:224306,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccc(C(F)(F)F)cc2OC2CCCC2)cnc1Cl,ACJQVUFSJKNESH-UHFFFAOYSA-N
-rxn:4:203593:224797,CCCCOc1c(F)c(F)c(-c2cc(C(=O)N3CCSCC3)cc([N+](=O)[O-])c2)c(F)c1F,FZEWFIYXVXTQLY-UHFFFAOYSA-N
-rxn:4:203633:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3cc(CN4CCOCC4)cc([N+](=O)[O-])c3)cc2)CC1,KYJVCAJAAOXVKY-UHFFFAOYSA-N
-rxn:4:203670:223728,CCCCCC1CCC(c2ccc(-c3ccc(N(C)C4CCCC4)c(C#N)c3)c(F)c2)CC1,BKCHZGWYSKZXLQ-UHFFFAOYSA-N
-rxn:4:203694:222915,N#Cc1ccc(-c2ccc(C(=O)NC3=NCCS3)cc2)cc1N1CCC(C(F)(F)F)CC1,XIKPXBAESAWUFX-UHFFFAOYSA-N
-rxn:4:203712:225199,O=S(=O)(c1ccc(-c2cc(F)c(OC3CCCC3)c(F)c2)cc1)N1C=CC(C(F)(F)F)=NCC1,GKFNHYRMGLSZIO-UHFFFAOYSA-N
-rxn:4:203739:223537,CC(C)(C)OC(=O)n1c(-c2ccc(N3CCN(CC(F)(F)F)CC3)cc2)cc2cc(OC(F)(F)F)ccc21,BTLYEWDWWXTUMR-UHFFFAOYSA-N
-rxn:4:203768:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3cnc(N(C)C(=O)C(C)(C)C)c(C)c3)cc21,STTUMQVZVCFPES-UHFFFAOYSA-N
-rxn:4:203825:225203,Cc1cc(C2CC2)c(C(F)(F)F)cc1-c1ccc(C(=O)N2CCN(S(C)(=O)=O)CC2)cc1,QBLGIQICSOUMRY-UHFFFAOYSA-N
-rxn:4:203873:224394,CCN1CCN(Cc2cccc(F)c2-c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)CC1,PITWYNLUFRNDAH-UHFFFAOYSA-N
-rxn:4:203889:224591,COC(=O)c1ccc(-c2ccc(Cl)c(CN3CCC(C)CC3)c2)cc1N1CCN(C)CC1,YKYUMECOIDFFCW-UHFFFAOYSA-N
-rxn:4:203905:224155,CCN1CCN(c2cc(-c3cc(C4CC4)cc(N4CCN(C)CC4)c3)cc(C(F)(F)F)c2)CC1,LATHEWQELRQHKH-UHFFFAOYSA-N
-rxn:4:203956:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2ccc(C(=O)N3CCN(C(C)C)CC3)cc2)cc1,KKBINEZWRQCEMO-UHFFFAOYSA-N
-rxn:4:203972:223008,CC(=O)N1CCN(S(=O)(=O)c2ccc(-c3cc(C4CCNCC4)ccc3F)c(C)c2)CC1,WRSCDCDXJKHMAD-UHFFFAOYSA-N
-rxn:4:203972:225732,CCOC(=O)Cc1ccc(-c2ccc(S(=O)(=O)N3CCN(C(C)=O)CC3)cc2C)cc1F,ZUEXOAKQDVYYBR-UHFFFAOYSA-N
-rxn:4:203986:223174,CCS(=O)(=O)Nc1ccc(-c2ccc(Cl)c(C(=O)N3CCC(N4C(=O)CSC4=O)CC3)c2)cc1,QMTOOCXTLXYLPQ-UHFFFAOYSA-N
-rxn:4:203986:226485,COCCOc1cc(-c2ccc(Cl)c(C(=O)N3CCC(N4C(=O)CSC4=O)CC3)c2)ccc1Cl,SKJYVWJTXVIWGK-UHFFFAOYSA-N
-rxn:4:204010:225289,CC(C)Oc1ccc(C(F)(F)F)cc1-c1cccc(CC2CCCN(S(C)(=O)=O)CC2)n1,HPDGMPUFUIAYTA-UHFFFAOYSA-N
-rxn:4:204011:225112,CCOc1cc(-c2ccc(S(=O)(=O)N3CCC(N(C)C)CC3)cc2)cc(Cl)c1OC(C)C,JLJIIPSCMVYFIY-UHFFFAOYSA-N
-rxn:4:204026:224306,CN1CCN(Cc2ccc(S(C)(=O)=O)cc2-c2ccc(C(F)(F)F)cc2OC2CCCC2)CC1,MYCINTMIFPSRLI-UHFFFAOYSA-N
-rxn:4:204063:225338,Cc1cc(C(=O)N2CCN(C(C)C)CC2)ccc1-c1ccc(F)c(COCC(F)(F)F)c1,VFHVXBXCZUWKHS-UHFFFAOYSA-N
-rxn:4:204091:223743,Cc1ccc(-c2ccc(CN3CCC(N(C)C)CC3)cc2C)cc1OCCCN1CCC(C)CC1,RSLDODBZEFCUKT-UHFFFAOYSA-N
-rxn:4:204113:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(CN2CCCCC2)c(N2CCCC2)c1,FZGKSRLUBZAQBY-UHFFFAOYSA-N
-rxn:4:204114:222935,CN(C)S(=O)(=O)NCc1ccc(-c2ccc(C(=O)N3CCCN(C4CCSCC4)CC3)o2)cc1,MJBPBQHPXQVTAM-UHFFFAOYSA-N
-rxn:4:204135:223180,CONC(=O)c1ccc(-c2ccccc2S(=O)(=O)N2CCCN(C3CCSC3)CC2)cc1F,MQTOMYCPNNQJHY-UHFFFAOYSA-N
-rxn:4:204135:223189,CS(=O)(=O)Nc1ccc(-c2ccccc2S(=O)(=O)N2CCCN(C3CCSC3)CC2)c(F)c1,ZZTGIVDEYVTIMR-UHFFFAOYSA-N
-rxn:4:204137:222638,CC(NC(=O)OC(C)(C)C)c1cccc(-c2ccc(CN3CCC(F)(F)CC3)c(N3CCOCC3)c2)c1,JBPGZTYTIKTXMO-UHFFFAOYSA-N
-rxn:4:204164:225281,CC(C)(C)OC(=O)c1cc(-c2ccc(C3=NC4(CCCCC4)N(C(=O)c4ccc(Cl)cc4)C3=S)cc2)cc(Cl)n1,WJUMWEOOUUBQEG-UHFFFAOYSA-N
-rxn:4:204165:224601,O=C(c1ccc(F)cc1)N1C(=S)C(c2ccc(-c3ccc4c(cnn4C4CCCCO4)c3)cc2)=NC12CCCCC2,AJENZNLIAWJBCB-UHFFFAOYSA-N
-rxn:4:204167:222875,CC1CCCN(Cc2ccc(-c3cc(C(=O)NC(C)(C)C)ccc3F)cc2N2CCOCC2)C1,IMWGDEPDPHVCQI-UHFFFAOYSA-N
-rxn:4:204170:223184,CC1CCCCN1Cc1ccc(-c2cnc(N3CCNCC3)nc2)cc1N1CCCCC1,ZHHLLMDFIRXDLE-UHFFFAOYSA-N
-rxn:4:204171:225677,CC1CCCN(Cc2ccc(-c3ccc(C4CCCCC4)nc3F)cc2N2CCCCC2)C1,CSNIBTHTVYOKCS-UHFFFAOYSA-N
-rxn:4:204511:224082,CCC(C(=O)OC(C)(C)C)c1cccc(-c2ccc3c(n2)CCN3C(=O)OC(C)(C)C)c1,CJOZZAWDWAPYKD-UHFFFAOYSA-N
-rxn:4:204600:222770,CC(C)(C)OC(=O)N1CCc2ccc(-c3ccc(C(=O)NC4CCCC4)c(Cl)c3)nc2C1,APEYVFSBAGRZIY-UHFFFAOYSA-N
-rxn:4:204643:225273,CCCOc1cc(C(F)(F)F)ccc1-c1cncc(C(=O)N2C3CCC2CC(SC)C3)c1,MWTSUBJPRZZVET-UHFFFAOYSA-N
-rxn:4:204740:224280,CCN1C(=O)C(=C2SC(=S)N(CC(C)C)C2=O)c2cc(-c3cc4c(s3)CCN(C(=O)OC(C)(C)C)C4)ccc21,ZFHYUIJJQOFHKJ-UHFFFAOYSA-N
-rxn:4:204744:225338,O=C(c1ccccc1-c1ccc(F)c(COCC(F)(F)F)c1)N1CC(N2C(=O)C3CC=CCC3C2=O)C1,YYJWIBGIAZLVBP-UHFFFAOYSA-N
-rxn:4:204756:226773,COC(=O)c1c(Cl)ccc(-c2ccc(C(=O)N3CC(N4CC5CCCC5C4)C3)cc2)c1F,PKMYBBGZFLVBNF-UHFFFAOYSA-N
-rxn:4:204766:223777,CC(C)(C)OC(=O)N1CCc2c(ccc(-c3ccc(S(=O)(=O)N4CCn5cccc5C4c4ccc(Cl)cc4)cc3)c2F)C1,IOPHAGVXYKJJIU-UHFFFAOYSA-N
-rxn:4:204780:226017,COc1cc(-c2ccc(S(=O)(=O)N3CC(N4CC5CCCC5C4)C3)cc2)ccc1OC(F)(F)F,VNIYNYGQUMDCIJ-UHFFFAOYSA-N
-rxn:4:204804:222987,Cc1nc(C2CCNCC2)ccc1-c1ccccc1S(=O)(=O)N1C2CCC1CC(N1C(=O)CCC1=O)C2,WJAUZOLGIYRBKG-UHFFFAOYSA-N
-rxn:4:204816:222895,CCCCS(=O)(=O)Nc1ccc(-c2ccc3c(c2)C(=C2SC(=S)N(C(C)c4ccccc4)C2=O)C(=O)N3CC)cc1,NBXCRWCULATBNI-UHFFFAOYSA-N
-rxn:4:204825:224490,Cc1ccc(Cl)cc1N1C(=O)N(Cc2ccc(-c3ccccc3OCCN3CCCCC3)cc2F)c2ccccc2S1(=O)=O,NBJNPMJMVMJYHV-UHFFFAOYSA-N
-rxn:4:204839:223527,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)ccc2-c2cccc(C3C4C(=O)N(c5ccccc5)C(=O)C4ON3c3ccccc3)c2)CC1,JUAHQXZHHBYVFJ-UHFFFAOYSA-N
-rxn:4:204866:225869,CC1CCN(C(=O)C2=CN(c3ccc(-c4ccc(N5CCOCC5)c(Cl)c4)cc3)c3ccccc3S2(=O)=O)CC1,UXQABXFKLBPPDK-UHFFFAOYSA-N
-rxn:4:204874:225054,CC1CCCCN1c1ccc(-c2ccc(C3OC4(C(=O)c5ccccc5C4=O)C4C(=O)N(c5cccc([N+](=O)[O-])c5)C(=O)C34)cc2)c(Cl)c1,JTWHOWMKVBWOTP-UHFFFAOYSA-N
-rxn:4:206181:223637,CC(C)(C)OC(=O)N1CCCC(c2ccccc2-c2ccc(N3CCCC3)c(C#N)c2)C1,JAWKULOYWCTIOD-UHFFFAOYSA-N
-rxn:4:206239:223489,Cc1nccn1S(=O)(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCC(O[Si](C)(C)C(C)(C)C)CC3)cc2)cc1,BQVUGFPYPQRPRS-UHFFFAOYSA-N
-rxn:4:206464:224498,CCN1CCN(Cc2ccccc2-c2cc(N3CCC(F)(F)C3)c([N+](=O)[O-])cc2F)CC1,JNTHIQJUIAEQFQ-UHFFFAOYSA-N
-rxn:4:206709:223832,COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1-c1ccc(S(=O)(=O)N2CCCCC2)nc1,HNIWRUXCDOIPSP-UHFFFAOYSA-N
-rxn:4:206731:223644,CCOC(=O)C1CCCN(C(=O)c2ccc(-c3cccc(N4CCCCC4C(F)(F)F)n3)cc2)C1,VOJGOPFCVOQYOI-UHFFFAOYSA-N
-rxn:4:206797:224392,Cc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1ccc(C2CN(S(C)(=O)=O)CCO2)nc1,YAHRUWQWHBHFKO-UHFFFAOYSA-N
-rxn:4:206898:223493,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1cn(C2CCCCO2)c(C(C)C)n1,XPAITEFJOQSZAY-UHFFFAOYSA-N
-rxn:4:206898:223920,CC(C)c1nc(-c2ccc(C(=O)N(C)C3CCCCC3)cc2Cl)cn1C1CCCCO1,IWHUCFKIXDMKDH-UHFFFAOYSA-N
-rxn:4:206939:222705,Cc1cc(N2CCCCC2)c(-c2cc(C3CCNCC3)cc(C(F)(F)F)c2)cc1[N+](=O)[O-],VYOQPBYFPLVUFK-UHFFFAOYSA-N
-rxn:4:206959:222466,CS(=O)(=O)N1CCN(c2cccc(-c3cc(C4CCCCC4)nc(C4CCNCC4)c3)c2)CC1,SAFGKVPNCRMSJZ-UHFFFAOYSA-N
-rxn:4:206961:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1cncc(S(=O)(=O)N2CCCC(C)C2)c1,RTPNEJCSLMGTDC-UHFFFAOYSA-N
-rxn:4:206963:222522,COc1ccc(-c2ccccc2N2CCN(S(C)(=O)=O)CC2)cc1S(=O)(=O)N1CCC(O)CC1,GHHXFUAEZPCPPP-UHFFFAOYSA-N
-rxn:4:206964:222522,COc1ccc(-c2ccc(C3CCN(S(C)(=O)=O)CC3)nc2)cc1S(=O)(=O)N1CCC(O)CC1,ZQUKBTKLTXZYSH-UHFFFAOYSA-N
-rxn:4:206976:224819,CN1CCN(S(=O)(=O)c2ccc(F)c(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)c2)CC1,YQCLTZGWSKVIKU-UHFFFAOYSA-N
-rxn:4:206978:222721,CC1CCN(c2ncc(C(F)(F)F)cc2-c2cc(C3CCNCC3)nc(C(F)(F)F)c2)CC1,YDDRCJFTHNQSIB-UHFFFAOYSA-N
-rxn:4:207381:223500,COC(=O)c1c[nH]c2nc(C)c(-c3ccc(F)c(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c3)cc12,YNGDJMPKDDMOLV-UHFFFAOYSA-N
-rxn:4:207450:223492,Cc1cc(-c2ccc3c(=O)n(CC4CC4)cnc3c2)ccc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,SSXFZFHIVWZLQY-UHFFFAOYSA-N
-rxn:4:207770:226112,CCN1C(=O)C(=C2C(=O)N(CC)c3ccc(-c4ccc(OCC5CC5)cc4C)cc32)SC1=S,OEHFAQDRBSOYRM-UHFFFAOYSA-N
-rxn:4:207828:223689,CCN1CCN(S(=O)(=O)c2cc(-c3cccc(N4C(=O)N(c5ccc(F)cc5)C5CS(=O)(=O)CC54)c3)ccc2OC)CC1,XUKPRPPNWZMTPF-UHFFFAOYSA-N
-rxn:4:207854:225995,N#Cc1ccc(OC(F)(F)F)c(-c2ccc3c(c2)CCN3C2CCN(C3CCC3)CC2)c1,YCHTZPLJDUVUHD-UHFFFAOYSA-N
-rxn:4:207857:224345,CC1OC2(CC3CCC(C2)N3C(=O)c2ccc(-c3cc(-c4ccccn4)cc(C(F)(F)F)c3)o2)CN(C)C1=O,GRDZSBVGHXQHEW-UHFFFAOYSA-N
-rxn:4:207857:227886,CCCOc1ccccc1-c1ccc(C(=O)N2C3CCC2CC2(C3)CN(C)C(=O)C(C)O2)o1,RYZXHHJOEJERJG-UHFFFAOYSA-N
-rxn:4:207959:225683,Cc1ccc(C2=NN3C(C2)c2cc(-c4ccc(C5CCCOC5)nc4C)ccc2OC3C2CCCCC2)cc1,HPBXDOBPVMFRKY-UHFFFAOYSA-N
-rxn:4:207965:223078,CCNS(=O)(=O)c1ccc(-c2ccc3c(c2)C2CC(c4ccc(OC)cc4)=NN2C2(CCC(C)CC2)O3)c(C)c1,DBWADSIFUHAGSU-UHFFFAOYSA-N
-rxn:4:207968:223498,CC(C)(C)OC(=O)N1CCCN(C(=O)c2ccc(-c3ccc(C(=O)N4CCc5c6n(c7ccccc57)C(=O)CCC64)cc3)cc2)CC1,ZNCZIFVYGNUHSA-UHFFFAOYSA-N
-rxn:4:209639:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cnc(N4CCOCC4)c(F)c3)ccn2)CC1,OWWPIIMRJFUUQZ-UHFFFAOYSA-N
-rxn:4:210784:223498,CN1CCc2c(cc([N+](=O)[O-])cc2-c2ccc(C(=O)N3CCCN(C(=O)OC(C)(C)C)CC3)cc2)C1,HBMKPOYAZAANSB-UHFFFAOYSA-N
-rxn:4:210794:223669,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc(C4CN5CCSC5=N4)cc3)cn2)CC1,JDIQXEUEYYMKRD-UHFFFAOYSA-N
-rxn:4:210794:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3ccc(C4CN5CCSC5=N4)cc3)ccn2)CC1,WRHWUACVVRFGDB-UHFFFAOYSA-N
-rxn:4:210995:223696,CC1Oc2ccc(-c3ccc(S(=O)(=O)N4CCC5(CC4)OCCO5)cc3)cc2CN(c2nccs2)C1=O,DNUSLDPOHAYUKR-UHFFFAOYSA-N
-rxn:4:211060:224569,CN1CCN(C2CCCc3cc(-c4cc(F)cc(OCC5CCCCC5)c4)ccc32)CC1,MABLTMVZBLVDQQ-UHFFFAOYSA-N
-rxn:4:211060:224687,CN1CCN(C2CCCc3cc(-c4cc(F)cc(CN5CCC(=O)CC5)c4)ccc32)CC1,SDMUPMATWBEKQZ-UHFFFAOYSA-N
-rxn:4:211100:222987,Cc1nc(C2CCNCC2)ccc1-c1ccc2c(c1)C1CC(c3ccc(Cl)cc3)=NN1C1(CCC(C)CC1)O2,FCMWNYIDANGKDP-UHFFFAOYSA-N
-rxn:4:211100:225852,CC1CCC2(CC1)Oc1ccc(-c3cnc(C4CCCCC4)nc3Cl)cc1C1CC(c3ccc(Cl)cc3)=NN12,NXCVFERNEPUJNN-UHFFFAOYSA-N
-rxn:4:211101:226652,Cc1ccc(C2=NN3C(C2)c2cc(-c4cc(C)nn4C4CCCCO4)ccc2OC32CCC(C)CC2)cc1,CFEDASIPSPYAEC-UHFFFAOYSA-N
-rxn:4:212491:223946,CCN(C(=O)OC(C)(C)C)c1ccc(-c2ccc3c(c2)C2CN(C)CCN2CC3)c(Cl)c1,PVNOIYNEGKUGBS-UHFFFAOYSA-N
-rxn:4:212542:222875,CCOCC(=O)N1CCCC(Oc2ncc(-c3cc(C(=O)NC(C)(C)C)ccc3F)cn2)C1,WLXLRWDNUMUNNC-UHFFFAOYSA-N
-rxn:4:212565:223944,Cc1c(Cl)cc2c(cnn2C2CCCCO2)c1-c1ccc(C(=O)N2CCN=C2SCc2cccc([N+](=O)[O-])c2)cc1,VZJIBJHDWVAISQ-UHFFFAOYSA-N
-rxn:4:212580:224064,CC1CCCCN1c1cc(-c2cnn(CC3CN(S(=O)(=O)Cc4ccc(C(F)(F)F)cc4)C3)c2)cc(C2CC2)c1,NJMNIUFBDVVRFI-UHFFFAOYSA-N
-rxn:4:212587:222622,CCOc1ccc(S(=O)(=O)N2CC(Cn3cc(-c4cc(C(C)CC)nc(C5CCCNC5)c4)cn3)C2)cc1,QJHOMKIOHQVZAR-UHFFFAOYSA-N
-rxn:4:212603:225535,CCN(CC)Cc1cc(-c2ccc(CSC3=NCCN3C(=O)c3cccc([N+](=O)[O-])c3C)cc2)ccc1Cl,WOOHRGRUMJTGPX-UHFFFAOYSA-N
-rxn:4:212616:225833,O=C(OCC(=O)N1CCN(c2ccccc2F)CC1)c1cncc(-c2ccnc(N3CCCCC3)c2F)c1,VQGMGSLRLFYPSG-UHFFFAOYSA-N
-rxn:4:212626:225794,N#Cc1ccnc(OCC2CCN(S(=O)(=O)c3ccc(-c4cnc(OC5CCCCC5)nc4)cc3)CC2)c1,NYBSSAQJEQJMDN-UHFFFAOYSA-N
-rxn:4:212626:225852,N#Cc1ccnc(OCC2CCN(S(=O)(=O)c3ccc(-c4cnc(C5CCCCC5)nc4Cl)cc3)CC2)c1,POUJLIFPOIRDPJ-UHFFFAOYSA-N
-rxn:4:212626:225923,N#Cc1ccnc(OCC2CCN(S(=O)(=O)c3ccc(-c4cnc(OC5CCCC5)nc4Cl)cc3)CC2)c1,HZHUTRPUHMURDW-UHFFFAOYSA-N
-rxn:4:212627:225852,N#Cc1ccnc(OCC2CCCN(S(=O)(=O)c3ccc(-c4cnc(C5CCCCC5)nc4Cl)cc3)C2)c1,KVZMGXIMUGUATO-UHFFFAOYSA-N
-rxn:4:212628:226127,CCOc1ccc(C(C)C)cc1-c1cnc(OC2CCCN(C(=O)Cc3cccc(C(F)(F)F)c3)C2)nc1,KFPYDXZLQFONMJ-UHFFFAOYSA-N
-rxn:4:212634:223993,Cc1cc(-c2cn(C)nc2CN(C(=O)OC(C)(C)C)C2CCCC2)ccc1S(=O)(=O)N1CCN(C)CC1,REXJQUPKLJEVSL-UHFFFAOYSA-N
-rxn:4:212646:227881,CCCOc1ccc(-c2cnn(C)c2CN(C(=O)OC(C)(C)C)C2CCOCC2)cc1,LWFOGQAOEMVBTE-UHFFFAOYSA-N
-rxn:4:212649:225431,CCOc1ccc(C(C)(C)C)cc1-c1cnc(OCC2CCCN(C(=O)C(C)(C)CC)C2)nc1,GWYNMJLSDQIANQ-UHFFFAOYSA-N
-rxn:4:212649:226726,CCC(C)(C)C(=O)N1CCCC(COc2ncc(-c3ccccc3OCC(F)(F)F)cn2)C1,MJGMYAPBONETCE-UHFFFAOYSA-N
-rxn:4:212654:223901,CCn1c(-c2ccc(-c3ccc(OCCN4CCC(C)CC4)c(Cl)c3)cc2)cnc1SCC(=O)N1CCCCC1,ZXBYFPMNDYYFKB-UHFFFAOYSA-N
-rxn:4:212659:222673,CCOc1ccc(CN2CCC(Oc3ncc(-c4cc(C(=O)NC5CCCCC5)ccc4Cl)cn3)CC2)cc1,AUAYFVXSMIAIAX-UHFFFAOYSA-N
-rxn:4:212660:222796,COc1cccc(CN2CCC(COc3ncc(-c4cc(S(=O)(=O)NC(C)(C)C)ccc4C)cn3)CC2)c1,BWZGAKFAEOPPBR-UHFFFAOYSA-N
-rxn:4:212662:222709,COc1ccc(CN2CCCC(COc3ncc(-c4cc(C(=O)NC(C)(C)C)cc([N+](=O)[O-])c4)cn3)C2)cc1,UKYPSWFWGXCCKC-UHFFFAOYSA-N
-rxn:4:212666:225319,COc1ccc(S(=O)(=O)N2CCC(COc3ncc(-c4cc(F)c(F)c(N5CCOCC5)c4)cn3)CC2)cc1,GOODJLXZQGFKRI-UHFFFAOYSA-N
-rxn:4:212680:222868,Cc1ccc(OCC2CCN(C(=O)Cc3ccc(F)cc3-c3ccccc3NC(=O)OC(C)(C)C)CC2)nn1,QOOBVGOPXIXMMJ-UHFFFAOYSA-N
-rxn:4:212720:224903,COc1ccc(-c2ccc(C(=O)N(C)C3CCCN(C(=O)OC(C)(C)C)CC3)cn2)cc1-c1ccccc1,CAFDFSVRCPIGTI-UHFFFAOYSA-N
-rxn:4:212731:222891,COc1cc(OC)cc(-c2noc(C3CCCN(S(=O)(=O)c4ccc(-c5cc(OC)nc(C6CCNCC6)c5)cc4)C3)n2)c1,WALFDPFOVOWCEB-UHFFFAOYSA-N
-rxn:4:212771:225980,CN(C)CCN(C(=O)C1=COCCO1)c1nc2ccc(-c3cc(N4CCOCC4)ncc3F)cc2s1,BWYMFFVMHMQKJD-UHFFFAOYSA-N
-rxn:4:212775:224249,COCCn1c(=NC(=O)CN2C(=O)CCC2=O)sc2cc(-c3cc(C(=O)N4CCCC(C)C4)ccc3F)ccc21,JYBMSZUVNINYOR-UHFFFAOYSA-N
-rxn:4:212782:224589,COC(=O)Cn1c(=NC(=O)c2ccccc2-c2ccc(F)cc2CN2CCC(C)CC2)sc2cc(S(N)(=O)=O)ccc21,CAGYMZFKEHRXMF-UHFFFAOYSA-N
-rxn:4:212814:226968,CC(C)(C)OC(=O)N1Cc2c(nn(C(=O)OC(C)(C)C)c2-c2ccc3c(c2)OC(C)(C)C3)C1(C)C,DBAZBGDHUYHKLT-UHFFFAOYSA-N
-rxn:4:212814:227874,Cc1cc(-c2c3c(nn2C(=O)OC(C)(C)C)C(C)(C)N(C(=O)OC(C)(C)C)C3)cc2ccoc12,GYNQYCWKZNTPRH-UHFFFAOYSA-N
-rxn:4:212831:223540,COC(=O)CN1C(CN2CCOCC2)=Nc2ccc(-c3cc(S(=O)(=O)N4CCC5(CC4)OCCO5)ccc3OC)cc2C1c1ccccc1,DPIIPYDKCOIHIR-UHFFFAOYSA-N
-rxn:4:212839:224291,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4ccc(OCCN5CCOCC5)c(F)c4)ccn23)CC1,JMMIHPWORJLEKF-UHFFFAOYSA-N
-rxn:4:212902:223939,CN(Cc1nn(C)cc1-c1ccc2c(c1)N(C(=O)OC(C)(C)C)CCO2)C(=O)OC(C)(C)C,VCSSLZNJOZKBSH-UHFFFAOYSA-N
-rxn:4:212911:223481,CCn1c(SCc2ccc(-c3ccc(S(=O)(=O)N4CCC(O[Si](C)(C)C(C)(C)C)CC4)cc3F)cc2)nnc1-c1ccco1,WKZJMHSPLOTNKO-UHFFFAOYSA-N
-rxn:4:212999:224372,CSc1ncccc1C(=O)N1CCC(Oc2ncccc2-c2cc(C(=O)N3CCCC3)cc([N+](=O)[O-])c2)C1,KMFBJWSHJCOGGD-UHFFFAOYSA-N
-rxn:4:213038:225287,CC(C)(C)OC(=O)c1cnc(Cl)cc1-c1c[nH]c(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1,CULIFNFLSJSOCK-UHFFFAOYSA-N
-rxn:4:213053:226231,CCCCOc1ncc(-c2cnc(OCC3CCCN(C(=O)C4CC(F)(F)C4)C3)nc2)cc1C,ZTZDTFITQQDCQN-UHFFFAOYSA-N
-rxn:4:213062:224060,COc1c(C(C)(C)C)cc(-c2cnc(OC3CCN(C(=O)Cc4ccc(F)cc4F)CC3)nc2)cc1C(C)(C)C,BFJHDSJECYUTKN-UHFFFAOYSA-N
-rxn:4:213077:226266,COC(=O)CCc1ccccc1-c1cn(C2CCN(C(=O)OC(C)(C)C)CC2)nc1C(F)F,IZTPFTISXRKCTN-UHFFFAOYSA-N
-rxn:4:213088:223184,CC(C)(C)OC(=O)N1CCN(c2cccc(-c3cnc(N4CCNCC4)nc3)c2C#N)CC1,RVESVMJVEMYLKV-UHFFFAOYSA-N
-rxn:4:213097:223059,CC(C)(C)OC(=O)N1CCC(C#N)(c2ccc(-c3ccc(N4CCNCC4)cc3Cl)cn2)CC1,QFGFEUNXOBIRQZ-UHFFFAOYSA-N
-rxn:4:213097:223521,CC(c1cccc(-c2ccc(C3(C#N)CCN(C(=O)OC(C)(C)C)CC3)nc2)c1)N1CCN(C(=O)OC(C)(C)C)CC1,WMCJOEUUWVBJIX-UHFFFAOYSA-N
-rxn:4:213106:224256,COc1ccc(-c2ccc(Cl)c(C(=O)N3CCCCC3C)c2)c(C(=O)N2CCCC(Oc3ccncn3)C2)c1,MBZZDUVQGGSQDH-UHFFFAOYSA-N
-rxn:4:213116:222582,O=C(NCCN1CCOCC1)c1cccc(-c2cnc(OCC3CCCN(S(=O)(=O)c4ccc(F)cc4)C3)nc2)c1,PKVVNRRFLHZSBD-UHFFFAOYSA-N
-rxn:4:213123:226175,Cc1cc(N2CCCC2)ccc1-c1ccccc1CC(=O)N1CCN(c2ccnc(C(F)(F)F)c2)C(=O)C1,KBFRACHZMWOSJZ-UHFFFAOYSA-N
-rxn:4:213123:226273,CCN(C)C(=O)c1ccc(-c2ccccc2CC(=O)N2CCN(c3ccnc(C(F)(F)F)c3)C(=O)C2)cc1,CXSFPFTWLBSZPQ-UHFFFAOYSA-N
-rxn:4:213135:222471,COC(=O)c1ccc(NCc2ccccc2-c2cnc(OC3CCN(C(=O)CC(C)(C)C)CC3)nc2)cc1,GVHPSEOLITWMHO-UHFFFAOYSA-N
-rxn:4:213142:223184,CC(C)(C)OC(=O)N1CCN(c2cccc(-c3cnc(N4CCNCC4)nc3)c2[N+](=O)[O-])CC1,JDVPNBMCXDEJKG-UHFFFAOYSA-N
-rxn:4:213162:223070,COc1ccc(S(=O)(=O)N2CCC(Oc3ncc(-c4csc(NC(=O)OC(C)(C)C)c4)cn3)CC2)cc1F,XHPQUIGRGAWPFH-UHFFFAOYSA-N
-rxn:4:213192:225975,CC(=O)N1CCN(c2cc(C(=O)OC(C)(C)C)cc(-c3ccnc(N4CCOCC4)c3Cl)n2)CC1,NVWQSMIZZGJJJT-UHFFFAOYSA-N
-rxn:4:213203:222854,COc1ccc(C2CCCNC2)cc1-c1ccc(S(=O)(=O)N2CCC(COc3ccc(C)nn3)CC2)cc1,IGXRJLTZDCJMIH-UHFFFAOYSA-N
-rxn:4:213223:222695,COc1ccc(-c2ccc(C)c(S(=O)(=O)NC3CCCC3)c2)c(C(=O)N2CCC(Cn3ccnc3C)CC2)c1,XMABOYXOAWGTDA-UHFFFAOYSA-N
-rxn:4:213246:225158,Cc1ccc(=O)n(CC2CCN(C(=O)Cc3ccc(-c4ccc(C(=O)N5CCSCC5)cc4)cc3)CC2)n1,ITUFNRHZPUNMPN-UHFFFAOYSA-N
-rxn:4:213320:224777,COC(=O)c1nc(-c2cnc(C3CCCC3)c(C(F)(F)F)c2)n2c1CN(C(=O)OC(C)(C)C)CC2,GKRYZNQOWNKJDH-UHFFFAOYSA-N
-rxn:4:213336:225555,COC(=O)c1nc(-c2ccc(C(=O)OC(C)(C)C)cc2)n2c1CCN(C(=O)OC(C)(C)C)CC2,YRWVWQWDUQIWIG-UHFFFAOYSA-N
-rxn:4:213337:225898,CCCCC(=O)N1CCN(c2nc3ccc(-c4cnn(CCN5CCOCC5)c4)cc3s2)CC1,RUCLUIQTORGZOG-UHFFFAOYSA-N
-rxn:4:213360:223917,C#CCn1c(=NC(=O)c2ccc(N3C(=O)CCC3=O)cc2)sc2cc(-c3cc(F)cc(C(=O)N(C)C4CCCCC4)c3)ccc21,LUFDLTUBRSJRPY-UHFFFAOYSA-N
-rxn:4:213360:224595,C#CCn1c(=NC(=O)c2ccc(N3C(=O)CCC3=O)cc2)sc2cc(-c3ccc(N4CCCC(C)C4)cc3OC)ccc21,FIYHYTRITKFAIX-UHFFFAOYSA-N
-rxn:4:213384:223491,COc1ccc2cc(C(=O)N3CCC(Oc4ncccc4-c4cc(N5CCN(C(=O)OC(C)(C)C)CC5)cc(C(F)(F)F)c4)CC3)[nH]c2c1,GLIWDQFZLVLUQM-UHFFFAOYSA-N
-rxn:4:213393:223681,COc1cc(OC)cc(C(=O)N2CCN(c3nc4ccc(-c5cc6cc([N+](=O)[O-])ccc6n5C(=O)OC(C)(C)C)cc4s3)CC2)c1,NOQUVWMBEOSSLQ-UHFFFAOYSA-N
-rxn:4:213395:225357,CCOc1cc(-c2ccc3ccn(CC(=O)N4CCN(S(=O)(=O)c5ccc(F)cc5)CC4)c3c2)c(F)c(C(F)(F)F)c1,HKSMRYLRRFWHPR-UHFFFAOYSA-N
-rxn:4:213415:225744,CC(C)(C)OC(=O)c1cncc(-c2ccc(-n3c(SCC(=O)N4CCCCCC4)nc4c(c3=O)SCC4)cc2)c1,HOMMYWVDOINXGM-UHFFFAOYSA-N
-rxn:4:213631:224416,FC(F)CN1CCCC(Cn2cc(-c3cnc(C(F)(F)C(F)(F)C(F)(F)F)nc3)cn2)C1,PSMYTCYCSLFXTP-UHFFFAOYSA-N
-rxn:4:213692:225830,Cc1nc(N2CCCCC2)ncc1-c1cnn(C(C)C(=O)N2CCC(C(F)(F)F)CC2)c1,GTVKIHGHJMEZNO-UHFFFAOYSA-N
-rxn:4:213708:223570,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3cccc(C(=O)N4CCC(Oc5ncc(Cl)cn5)C4)c3)c(F)ncc21,RTPHEYWKBKETFH-UHFFFAOYSA-N
-rxn:4:213758:224810,CS(=O)(=O)N1CCCCC1CCc1cnc(-c2cnc(N3CCCC3)c(C(F)(F)F)c2)cn1,LLVFRHYHYWJNOL-UHFFFAOYSA-N
-rxn:4:213764:224364,CC(C)COc1cc(OC(F)(F)F)cc(-c2cnc(C3CCN(C(=O)OC(C)(C)C)C3)cn2)c1,MCHSTFISVHEQRG-UHFFFAOYSA-N
-rxn:4:213798:222546,CC(C)(C)OC(=O)N1CCOC(c2cnc(-c3ccc(OCCNC4CCCCC4)c(F)c3)cn2)C1,GXODBAAXBAQLOR-UHFFFAOYSA-N
-rxn:4:213805:222684,CC(C)(C)OC(=O)N1CCOC(c2ncc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)cn2)C1,INXUIQWUXIBHFY-UHFFFAOYSA-N
-rxn:4:213829:224969,Cc1cc(-c2cnc(OC3CCCN(C(=O)c4ccc(F)c(F)c4F)C3)nc2)ccc1C(=O)OC(C)(C)C,BORWJNNJHRJUAG-UHFFFAOYSA-N
-rxn:4:213836:222936,CCC(=O)NS(=O)(=O)c1ccc(-c2ccnn2C2CCCN(C(=O)OC(C)(C)C)C2)cc1,AXTNXCJICNUPNG-UHFFFAOYSA-N
-rxn:4:213846:225260,CCN(CC)S(=O)(=O)c1ccc(-c2cccc(C(=O)N3CCN(S(=O)(=O)N(C)C)CC3)c2)cc1,MDHFXHFXNZVSOX-UHFFFAOYSA-N
-rxn:4:213849:224280,CC(C)(C)OC(=O)N1CCc2sc(-c3cnc(OC4CCN(C(=O)C5CCCO5)CC4)nc3)cc2C1,AFUPWZQUNVFNKU-UHFFFAOYSA-N
-rxn:4:213849:224999,CC(c1ccc(-c2cnc(OC3CCN(C(=O)C4CCCO4)CC3)nc2)cc1)N1CCOCC1,FCMKZUIGTDFVKX-UHFFFAOYSA-N
-rxn:4:213863:224376,CN1CCN(S(=O)(=O)c2cccc(-c3ccc(S(=O)(=O)N4CCCC(Oc5ncccn5)C4)cc3)c2)CC1,QBESDNCGYAMKMJ-UHFFFAOYSA-N
-rxn:4:213872:224883,CC(c1ccc(-c2cnn(CC3CN(CC4CCCCC4)C3)c2)cc1)N1CCCCC1,PVKUFTMMTYZMLX-UHFFFAOYSA-N
-rxn:4:213892:222889,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2cc(F)cc(CN3CCNCC3)c2)CC1,PRPCGXYFFDETBK-UHFFFAOYSA-N
-rxn:4:213892:223080,CC(C)NS(=O)(=O)c1ccc(-c2cccnc2N2CCN(C(=O)OC(C)(C)C)CC2)cc1,LAWKFAZDLUZPAV-UHFFFAOYSA-N
-rxn:4:213892:225215,CC1CCN(c2nccc(-c3cccnc3N3CCN(C(=O)OC(C)(C)C)CC3)c2Cl)CC1,FDIKYZRNNMVGHR-UHFFFAOYSA-N
-rxn:4:213929:222546,Cc1cc(C)nc(OC2CCCN(C(=O)c3ccc(-c4ccc(OCCNC5CCCCC5)c(F)c4)o3)C2)n1,IOJXUWQHFYLYFZ-UHFFFAOYSA-N
-rxn:4:213929:224819,Cc1cc(C)nc(OC2CCCN(C(=O)c3ccc(-c4ccc(S(=O)(=O)N5CCOCC5)cc4)o3)C2)n1,ZWAJTKCRRKVXCR-UHFFFAOYSA-N
-rxn:4:213933:223538,O=S(=O)(C1CC1)N1CCCN(c2ncc(C(F)(F)F)cc2-c2ccnc3c2cc(C(F)F)n3S(=O)(=O)c2ccccc2)CC1,ZFNRIXMRNZPKQG-UHFFFAOYSA-N
-rxn:4:213971:222873,O=C(C1CN(c2ncc(C(F)(F)F)cc2-c2ccc(NC(=O)n3cccc3)cc2)CCO1)N1CCOCC1,WZYBYQKAXDZXSO-UHFFFAOYSA-N
-rxn:4:213974:226655,CC(C)(C)OC(=O)N1CCCN(c2cccc(-c3cc(Cl)cnc3N3CCCC3)n2)CC1,NHIDHILSCYERFO-UHFFFAOYSA-N
-rxn:4:213980:223528,CC1CN(C(=O)OC(C)(C)C)CCC1c1nccc(-c2ccc(F)c(CN3CCN(C(=O)OC(C)(C)C)CC3)c2)n1,FOFFKKISFZBMBX-UHFFFAOYSA-N
-rxn:4:213983:223098,CC(=O)NS(=O)(=O)c1ccc(-c2cnc(C3CCN(C(=O)OC(C)(C)C)CC3C)cn2)cc1,ZXGLIFYHEHWNRT-UHFFFAOYSA-N
-rxn:4:213990:226844,Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1-c1ccnc(C(=O)C(F)(F)F)c1,KYIZNLDVHLHJID-UHFFFAOYSA-N
-rxn:4:213995:222817,COc1ccc(S(=O)(=O)NC2CC2)cc1-c1ccc(N2CCN(C)CC2)nc1C(=O)OC(C)(C)C,HZCPAAZQMXACRA-UHFFFAOYSA-N
-rxn:4:213999:224681,CC1CN(C(=O)OC(C)(C)C)CCC1c1ncc(-c2ccc(C(=O)N3CCCCC3)c(F)c2)cn1,LDMJPPCWCAMKAG-UHFFFAOYSA-N
-rxn:4:214001:222499,Cc1ccc(S(=O)(=O)NCc2ccccc2)cc1-c1cnc(N2CCN(C(=O)OC(C)(C)C)C(C)C2)c(F)c1,PEOOPZWXWMQEOK-UHFFFAOYSA-N
-rxn:4:214026:225116,CCCCOc1c(F)c(C)cc(-c2cc(C(F)(F)F)cnc2N2CCCC(C(=O)N3CCOCC3)C2)c1F,XCFFKEGLFNNEBV-UHFFFAOYSA-N
-rxn:4:214027:227464,CCCCSc1ncc(-c2cnc(N3CCCC(C(=O)N4CCOCC4)C3)c(C(F)(F)F)c2)cn1,CCBGKPUCCGGETL-UHFFFAOYSA-N
-rxn:4:214033:223167,CC(C)[C@H]1COC(c2cc(-c3ccnc(N4CCNCC4)c3)cc(C3=N[C@@H](C(C)C)CO3)n2)=N1,PBUZBEXICYRLPQ-DHIUTWEWSA-N
-rxn:4:214033:223239,CC(C)[C@H]1COC(c2cc(-c3cncc(C4CCCN4)c3)cc(C3=N[C@@H](C(C)C)CO3)n2)=N1,PRLWDJBISSRRMN-BPAKYRGESA-N
-rxn:4:214043:224319,Cc1cc(S(=O)(=O)N2CCCCC2)ccc1-c1ccccc1-c1noc(C2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)n1,RHFFRUXMUJXTLP-UHFFFAOYSA-N
-rxn:4:214061:224022,c1ccc([C@H]2COC(c3cc(-c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)cc(C4=N[C@@H](c5ccccc5)CO4)n3)=N2)cc1,ZZIVUAZFKRRSNJ-KSORSMJYSA-N
-rxn:4:214064:228306,CC(C)Sc1ncc(-c2ccc(CN3CCN(S(C)(=O)=O)CC3)c(N3CCOCC3)c2)cn1,NLDWOJNICHXYLK-UHFFFAOYSA-N
-rxn:4:214074:222517,Cc1nn(S(=O)(=O)c2ccc(-c3ccc(F)c(C(=O)Nc4ccc(F)c(Cl)c4)c3)cc2)c(C)c1S(=O)(=O)N1CCCC(C)C1,QKQCBDYAVRFHKL-UHFFFAOYSA-N
-rxn:4:214074:223135,Cc1nn(S(=O)(=O)c2ccc(-c3cccnc3C3CCCNC3)cc2)c(C)c1S(=O)(=O)N1CCCC(C)C1,CEVQMLDIIOWFJQ-UHFFFAOYSA-N
-rxn:4:214085:224451,Cc1ccc(COc2ccccc2-c2ccc(C=C3N=C(C4CCCCC4)N(c4cc([N+](=O)[O-])ccc4C)C3=O)cc2)cc1,GCEAHJDKCVNAGS-UHFFFAOYSA-N
-rxn:4:214086:227094,CC(C)N1CCN(Cc2ccc(-c3cnccc3C3CCCC3)cc2N2CCCCC2)CC1,ASRWVXXUNQCGNZ-UHFFFAOYSA-N
-rxn:4:214147:222834,CCC(CC)NC(=O)c1ccc(-c2nc(C(F)(F)F)c3n2CCN(C(=O)OC(C)(C)C)C3)cc1,VUUCVUISIKJHTN-UHFFFAOYSA-N
-rxn:4:214147:224482,CC(C)(C)OC(=O)N1CCn2c(-c3cccc(OCCCN4CCCC4)c3)nc(C(F)(F)F)c2C1,ROXFFEJVNTZGNN-UHFFFAOYSA-N
-rxn:4:214183:223889,CC(C)(C)OC(=O)N1CCc2cccc(-c3ccc4c(C5CN(C(=O)OC(C)(C)C)C5)ncn4c3)c2C1,BFTFAHOSUQSKDR-UHFFFAOYSA-N
-rxn:4:214202:224190,COc1ccc(-c2cnc([C@@H]3[C@H]4CC[C@H](C4)N3C(=O)OC(C)(C)C)nc2)cc1O[Si](C)(C)C(C)(C)C,LWIVWIVTZONXBT-LEEZEASISA-N
-rxn:4:214257:225304,CC(C)(C)OC(=O)N1CC2CCC(C1)N2c1ccc(-c2cc(C(F)(F)F)cnc2C(C)(C)C)cn1,VWHNPAGJKAUZOG-UHFFFAOYSA-N
-rxn:4:214273:223652,COc1ccc(Cl)c2cc(-c3ccc4ncn(C5CCN(C(=O)OC(C)(C)C)CC5)c4c3)n(C(=O)OC(C)(C)C)c12,AOTMDXBYRGWONN-UHFFFAOYSA-N
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-rxn:4:214683:222604,CCN1CCN(C(=O)c2ncc(-c3ccc(OC)c(S(=O)(=O)NC4CCCC4)c3)cc2Cl)CC1,DHLPISDANKIUGP-UHFFFAOYSA-N
-rxn:4:214706:224376,CN1CCN(S(=O)(=O)c2cccc(-c3cnc(CC4CCCN(S(C)(=O)=O)C4)cn3)c2)CC1,OLCVMJOHVNPDSR-UHFFFAOYSA-N
-rxn:4:214710:224198,CCN1CCN(Cc2ccc(-c3cncc(S(=O)(=O)N4CCN(CC)CC4)c3)c(F)c2)CC1,OJQPTRBRDYHCNI-UHFFFAOYSA-N
-rxn:4:214741:223998,CC1CCN(S(=O)(=O)c2ccc(-c3ccc(C(=O)N4CCN(C(C)C)CC4)cn3)cc2F)CC1,VBKULVMUZBKQOF-UHFFFAOYSA-N
-rxn:4:214742:224192,CCN1CCN(Cc2ccc(F)cc2-c2cc(N3CCC(N(C)C)CC3)ccc2C#N)CC1,HXNKJPJDAIJMIK-UHFFFAOYSA-N
-rxn:4:214781:223670,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2cccc(C(=O)N3CCN(c4ccccn4)CC3)c2)CC1,VBFSBWDKBOFKRN-UHFFFAOYSA-N
-rxn:4:214791:222704,Cc1nc(N2CCN(CC3CC3)CC2)ccc1-c1ccc(C2CCNCC2)c(C(F)(F)F)c1,KTNBLAQDQQYKSV-UHFFFAOYSA-N
-rxn:4:214805:223605,O=[N+]([O-])c1cc(C(F)(F)F)ccc1Oc1ccc(-c2ccc(N3CCCN(S(=O)(=O)C4CC4)CC3)nc2)cc1,ATXOHOUWJBOVFF-UHFFFAOYSA-N
-rxn:4:214835:226477,CCCCOc1ncc(Cl)cc1-c1cc(Cl)cnc1N1CCOC(C(=O)N2CCOCC2)C1,AXVNZBGXIZISNL-UHFFFAOYSA-N
-rxn:4:214835:227230,CCCOc1ncc(C)cc1-c1cc(Cl)cnc1N1CCOC(C(=O)N2CCOCC2)C1,FLPXZGGRSJXAIV-UHFFFAOYSA-N
-rxn:4:214837:227211,CCCCSc1ccc(-c2cnc(N3CCOC(C(=O)N4CCSCC4)C3)c(Cl)c2)cn1,JABSCJFMFDBZKO-UHFFFAOYSA-N
-rxn:4:214837:227212,CCCCOc1ncccc1-c1cnc(N2CCOC(C(=O)N3CCSCC3)C2)c(Cl)c1,QHFJOZTUZCXKLC-UHFFFAOYSA-N
-rxn:4:214838:225162,O=C(c1ccc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)c(F)c2)cc1Cl)N1CCCC1,HZYZSSSLQAWRMP-UHFFFAOYSA-N
-rxn:4:214838:227213,CCCCSc1cncc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)c(F)c2)c1,QBMGWMMRQPFLQW-UHFFFAOYSA-N
-rxn:4:214853:222828,N#Cc1c(-c2cc(F)c(F)cc2S(=O)(=O)NC2CC2)cccc1N1CCN(C2CCCC2)CC1,MKMHMJFLTIZCEJ-UHFFFAOYSA-N
-rxn:4:214862:224594,CC(=O)N1CCCCC1c1ccccc1-c1cncc(C(=O)N2CCCN(C3CCSC3)CC2)c1,XOELHHUOSUXLDR-UHFFFAOYSA-N
-rxn:4:214866:222619,O=C(NCc1ccc(-c2ccc(N3CCCC(C(=O)N4CCOCC4)C3)nc2)cc1)C1CCCCC1,AYKADNFULAFTQB-UHFFFAOYSA-N
-rxn:4:214867:224672,CCN1CCN(c2ccc(-c3cnc(N4CCOC(C(=O)N5CCCC5)C4)c(C)c3)c(Cl)c2)CC1,XPBVCUGVUZEUSS-UHFFFAOYSA-N
-rxn:4:214871:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cnc(N4CCCC(C(=O)N5CCOCC5)C4)c(Cl)c3)c2Cl)CC1,WISFBTZBOCMKOG-UHFFFAOYSA-N
-rxn:4:214886:227594,COC(=O)c1c(Cl)cccc1-c1cnc(N2CCC(C(=O)N3CCC(F)(F)CC3)CC2)c(F)c1,OKJZDGJTQROESE-UHFFFAOYSA-N
-rxn:4:214950:223526,CCOC(=O)c1ncn2cc(-c3ccc(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)cc3)cnc12,BGILHNUBBLNOCV-UHFFFAOYSA-N
-rxn:4:215027:224082,CCC(C(=O)OC(C)(C)C)c1cccc(-c2cnn3c2N(C(=O)OC(C)(C)C)CC3)c1,MMXKAVCGCQXLSG-UHFFFAOYSA-N
-rxn:4:215063:224599,CC(C)(C)OC(=O)N1CCn2cc(-c3cc(C(=O)C4CCCCC4)ccc3F)nc2C1,FXBAEMWZSVAFJA-UHFFFAOYSA-N
-rxn:4:215064:224736,CC(C)COc1cc(C(F)(F)F)ccc1-c1nc2c([nH]1)CN(C(=O)OC(C)(C)C)CC2,XKHQEMJFRZPGRK-UHFFFAOYSA-N
-rxn:4:215098:222898,COC(=O)CNC(=O)c1ccc(-c2nn(C)c3c2CN(C(=O)OC(C)(C)C)CC3)cc1,FKOPDHJSFJHKHH-UHFFFAOYSA-N
-rxn:4:215101:225365,CC(C)Oc1c(F)c(F)c(-c2ncc3n2CCN(C(=O)OC(C)(C)C)CC3)c(F)c1F,JNBUDQIBUVRLMK-UHFFFAOYSA-N
-rxn:4:215170:226355,COc1cc(Cl)c(-c2cncc(C(=O)N3CC(N4C(=O)C5CC=CCC5C4=O)C3)c2)cc1C1CC1,MZVDDWIAXHAMAF-UHFFFAOYSA-N
-rxn:4:215182:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc2[nH]c(C(=O)N3CCN(C(C)C)CC3)cc2c1,SDCIPAWKSOFQAY-UHFFFAOYSA-N
-rxn:4:215183:222602,CC(C)Cc1cc(-c2cncc(C(=O)N3CC(N4CCc5ccccc5C4)C3)c2)c(S(=O)(=O)NC(C)(C)C)s1,ZEAWCTIICLTPLT-UHFFFAOYSA-N
-rxn:4:215270:223481,COc1ccc2ncc3c(-c4cccc(-c5ccc(S(=O)(=O)N6CCC(O[Si](C)(C)C(C)(C)C)CC6)cc5F)c4)nn(-c4ccccc4)c3c2c1,DWNLUWDNXSRBGV-UHFFFAOYSA-N
-rxn:4:215300:226330,CC(c1ccc(-c2ccc3c(c2)C2CC(c4ccco4)=NN2C2(CCN(Cc4ccccc4)CC2)O3)s1)N1CCCC1,FNEDGUHTFCFYSH-UHFFFAOYSA-N
-rxn:4:215300:226427,CC1CCN(c2csc(-c3ccc4c(c3)C3CC(c5ccco5)=NN3C3(CCN(Cc5ccccc5)CC3)O4)c2)CC1,JFEPLCHYJUSDEL-UHFFFAOYSA-N
-rxn:4:215301:225652,CC1CCCN(c2cncc(-c3ccc4c(c3)C3CC(c5ccccc5)=NN3C3(CCN(Cc5ccccc5)CC3)O4)c2)C1,CKAJQALPGLBQMU-UHFFFAOYSA-N
-rxn:4:215304:224849,Cc1ccc(C2=NN3C(C2)c2cc(-c4cc(C5CCCC5)cc(C5CC5)c4)ccc2OC32CCN(Cc3ccccc3)CC2)cc1,CEQQYQQIZOKLGJ-UHFFFAOYSA-N
-rxn:4:215309:225116,CCCCOc1c(F)c(C)cc(-c2cccc3c2C(=O)N2CCC[C@H]2c2c(C(=O)OC(C)(C)C)ncn2-3)c1F,JBRQKCALFUNOAF-NRFANRHFSA-N
-rxn:4:215682:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cnc(N4CCCC4)c([N+](=O)[O-])c3)ccn2)CC1,BJMMRVDKHNCLON-UHFFFAOYSA-N
-rxn:4:215891:224325,CN1CCN(c2ccc([N+](=O)[O-])c(-c3ccc(C4=CCN(S(C)(=O)=O)CC4)cc3)c2)CC1,INQQSAWMKMOFCF-UHFFFAOYSA-N
-rxn:4:215896:224325,CN1CCN(c2ccc([N+](=O)[O-])cc2-c2ccc(C3=CCN(S(C)(=O)=O)CC3)cc2)CC1,HLAFEHLQJVGDTB-UHFFFAOYSA-N
-rxn:4:215908:222624,CC(C)Cc1cc(-c2cncc(N3CCN(S(C)(=O)=O)CC3)c2)cc(C2CCNCC2)n1,JCKPVHBHCIINAS-UHFFFAOYSA-N
-rxn:4:215941:223784,CCN1CCN(CCOc2ccc(-c3ccncc3N3CCC(N(C)C)CC3)cc2F)CC1,JCSSUJZSNHQXCR-UHFFFAOYSA-N
-rxn:4:215966:223523,CCN1CCN(S(=O)(=O)c2ccc(-c3nc(C4CC4)cc(N4CCC(C)CC4)n3)c3ccccc23)CC1,UVZVDGZSFMDGAD-UHFFFAOYSA-N
-rxn:4:215987:222466,CC1CCCCN1c1cc(C(C)(C)C)nc(-c2cc(C3CCCCC3)nc(C3CCNCC3)c2)n1,AWTCAXKQFTTXIH-UHFFFAOYSA-N
-rxn:4:216216:222716,CC(=O)N1C2CCC1CC(n1cc(-c3ccc(S(=O)(=O)NC4CCCC4)c(F)c3)cn1)C2,JPDBKKMFLFAZRL-UHFFFAOYSA-N
-rxn:4:216343:222466,Cc1ccc(C2=NN3C(C2)c2cc(-c4cc(C5CCCCC5)nc(C5CCNCC5)c4)ccc2OC3c2ccncc2)cc1,WETREBCKMDFGMY-UHFFFAOYSA-N
-rxn:4:217209:223694,CCN1CCN(S(=O)(=O)c2cc(-c3nc(C)cc(N4CCCC(C)C4)n3)c(F)cc2C)CC1,UHCLWDKNVPHSPJ-UHFFFAOYSA-N
-rxn:4:217824:223481,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3nccc4cnn(C5CCCCO5)c34)c(F)c2)CC1,NNCHFZAELKZOCW-UHFFFAOYSA-N
-rxn:4:218580:224733,Cc1noc(C)c1CCC(=O)N1CCC(Oc2ncc(-c3ccc(OC(F)F)c(OC4CCC4)c3)cn2)C1,CTHKOBDESYMHBZ-UHFFFAOYSA-N
-rxn:4:218588:225217,CC1CCCN(c2cc(F)c(-c3cnc(OCC4CCN(S(=O)(=O)c5ccccc5C#N)CC4)nc3)cn2)C1,SUGZKUBBLATXJB-UHFFFAOYSA-N
-rxn:4:218588:225634,Cc1cc(-c2cnc(OCC3CCN(S(=O)(=O)c4ccccc4C#N)CC3)nc2)cnc1N1CCCCC1,UKZPRILXXHGGNL-UHFFFAOYSA-N
-rxn:4:218588:225639,CC1CCN(c2ncccc2-c2cnc(OCC3CCN(S(=O)(=O)c4ccccc4C#N)CC3)nc2)CC1,PURXHCGXFLHWCX-UHFFFAOYSA-N
-rxn:4:218590:222754,COc1ccc(C(=O)NC(C)(C)C)c(-c2cnc(OCC3CCCN(S(=O)(=O)c4ccccc4C#N)C3)nc2)c1,AHOWCWTWYDJFJJ-UHFFFAOYSA-N
-rxn:4:218605:224325,COc1ncccc1C(=O)N1CCC(COc2ncc(-c3ccc(C4=CCN(S(C)(=O)=O)CC4)cc3)cn2)CC1,CCEJKKHRVNIYAP-UHFFFAOYSA-N
-rxn:4:218621:225313,CN1CCN(c2ccc(-c3cnc(OC4CCN(S(=O)(=O)CCN5C(=O)CCCC5=O)C4)nc3)c(F)n2)CC1,CNGYXBYAIIPALM-UHFFFAOYSA-N
-rxn:4:218666:225947,CN1CCN(c2ncc(-c3cncc(C(=O)N4CCC(COc5ccc(C(C)(C)C)nn5)C4)c3)cn2)CC1,NLRWGJMZAXNMGV-UHFFFAOYSA-N
-rxn:4:218666:225975,CC(C)(C)c1ccc(OCC2CCN(C(=O)c3cncc(-c4ccnc(N5CCOCC5)c4Cl)c3)C2)nn1,KUQRZVYCNSXRFG-UHFFFAOYSA-N
-rxn:4:218668:225171,O=C(CN1CCN(c2ccccc2)C1=O)N1CCC(Oc2ncccc2-c2cc(F)cc(CN3CCOCC3)c2)C1,QGTPXLCCYOZAGT-UHFFFAOYSA-N
-rxn:4:218682:223080,CC(=O)N1CCC(C(=O)N2CCCC(COc3ncc(-c4ccc(S(=O)(=O)NC(C)C)cc4)cn3)C2)CC1,FHTIVQLXKGBVKU-UHFFFAOYSA-N
-rxn:4:218682:223752,CC(=O)N1CCC(C(=O)N2CCCC(COc3ncc(-c4ccccc4CN4C(=O)c5ccccc5C4=O)cn3)C2)CC1,DMWUYDYWBQYDMX-UHFFFAOYSA-N
-rxn:4:218705:225877,CC(Oc1ccc(Cl)cc1)C(=O)N1CCCN(c2cc(-c3ccc(-c4ccc(Cl)cc4N4CCOCC4)cc3)n[nH]2)CC1,OTLKUQDYCLCUSO-UHFFFAOYSA-N
-rxn:4:218711:226637,CC(C)(C)OC(=O)N1CCN(C2CCN(c3ccc([N+](=O)[O-])cc3-c3cccnc3-c3cncnc3)CC2)CC1,RGTSZHXRCWSNNC-UHFFFAOYSA-N
-rxn:4:218713:225347,Cc1ccc(S(=O)(=O)N2CCN(C(=O)CC(C)n3nc(C)c(-c4cnc(OC(C)C)c(C(F)(F)F)c4)c3C)CC2)cc1C,JTMUUANMEIUAJB-UHFFFAOYSA-N
-rxn:4:218787:226510,CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C2CCCCC2)c1=NC(=O)c1cccc(-c2ccnc(OCC(C)C)c2Cl)c1,VNHDJONRRZNHKF-UHFFFAOYSA-N
-rxn:4:218824:222582,CN(CC1CN(c2ncc(-c3cccc(C(=O)NCCN4CCOCC4)c3)cn2)C1)S(=O)(=O)C1CC1,CVQNSAJPWAJLKB-UHFFFAOYSA-N
-rxn:4:218868:225043,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3ccc(OC4CCCCC4)c(F)c3)cc2)no1,JDQGFOBWUJWWSV-UHFFFAOYSA-N
-rxn:4:218878:223900,CC(C)(C)[Si](C)(C)OCCc1ccc(-c2cncc(C(=O)N3CCC(COc4ncccn4)CC3)c2)cc1F,UEDDEYVLNFURLC-UHFFFAOYSA-N
-rxn:4:218917:227465,COCCOc1cncc(-c2cnc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)nc2)c1,ZBJVTJGAUMFRRR-UHFFFAOYSA-N
-rxn:4:218944:227445,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3cnc(Cl)c(C4CCC4)c3)cc2[N+](=O)[O-])CC1,FXDLYSKNKLBCQL-UHFFFAOYSA-N
-rxn:4:218964:225050,CC(=O)N1CCC(C(=O)N2CC(Cn3cc(-c4cc(F)cc(N5CCC(C)CC5)c4)cn3)C2)CC1,JLILBKQPVDMBPU-UHFFFAOYSA-N
-rxn:4:218991:222933,Cn1cc(-c2cnc(NC(=O)OC(C)(C)C)nc2)c(CN2CCN(C(=O)OC(C)(C)C)CC2)n1,XJHJKYHQENQWSW-UHFFFAOYSA-N
-rxn:4:219011:224497,CCN1CCN(Cc2ccc(-c3cnc(N(C)C4CCN(C(=O)OC(C)(C)C)CC4)cn3)cc2)CC1,UEAQITNLACJKBC-UHFFFAOYSA-N
-rxn:4:219016:225301,CN(c1ncccc1C(F)(F)F)C1CCCN(C(=O)c2cncc(-c3cc(OC4CCOCC4)ncc3F)c2)C1,JXLPYCIDBXISIZ-UHFFFAOYSA-N
-rxn:4:219061:226356,COc1cc(-c2cnc(OC3CCCN(C(=O)C4CCN(S(C)(=O)=O)CC4)C3)nc2)c(Cl)cc1C1CC1,HVKBJWBQCHDOQL-UHFFFAOYSA-N
-rxn:4:219073:225161,O=C(c1ccc(-c2ccc(F)c(C(=O)N3CCCC3)c2)cc1)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCC3)c2)CC1,GLZSDBKIZSPFNA-UHFFFAOYSA-N
-rxn:4:219120:224196,CCN1CCN(Cc2cc(F)cc(-c3cncc(C(=O)N4CC5CCCC5(COc5ncc(F)cn5)C4)c3)c2)CC1,AWQCMNRSOHNGPW-UHFFFAOYSA-N
-rxn:4:219174:225867,O=C(CCc1ccccc1-c1cnc(Cl)c(N2CCCCC2)c1)N1CCCc2cnc(N3CCOCC3)nc21,MZCRHWXOTXKINI-UHFFFAOYSA-N
-rxn:4:219175:226237,CN(C)CCOc1ccccc1-c1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)N(C)C4CCCCC4)cc3n2)cc1,LATPACGFRCQYRL-UHFFFAOYSA-N
-rxn:4:219193:223503,COc1ccc(C2=NN(c3nc(-c4ccccc4)c4cc(Cl)ccc4n3)C(c3ccc(-c4c(F)cc(OC5CCN(C(=O)OC(C)(C)C)CC5)cc4F)cc3)C2)cc1,GFHKGFZIMVETPZ-UHFFFAOYSA-N
-rxn:4:219239:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cncc(C(=O)N4CCC(Oc5cnsn5)C4)c3)c(F)c2)CC1,RGPRKNWNYLFKIX-FPCUACJBSA-N
-rxn:4:219243:223530,CC(C)(C)OC(=O)N1CCN(Cc2ccc(F)cc2-c2ncn(C3CN(C(=O)OC(C)(C)C)C3)n2)CC1,MQWMJXUKHJPEGC-UHFFFAOYSA-N
-rxn:4:219334:223098,CC(=O)NS(=O)(=O)c1ccc(-c2nnc(N3CCN(C(=O)OC(C)(C)C)CC3)s2)cc1,PKLNJRDGIVFKFE-UHFFFAOYSA-N
-rxn:4:219363:224155,CN1CCN(c2cc(-c3cnccc3OC3CCN(S(=O)(=O)c4cnn(C)c4)C3)cc(C3CC3)c2)CC1,QBIIRTFZTDAAEK-UHFFFAOYSA-N
-rxn:4:219370:225563,CC(C)(C)OCc1ccc(F)cc1-c1cnn(C2CCCN(C(=O)OC(C)(C)C)C2)n1,FUFFOHOCJCUOCA-UHFFFAOYSA-N
-rxn:4:219371:223527,CC(C)(C)OC(=O)N1CCC(n2cnnc2-c2ccc(F)cc2CN2CCN(C(=O)OC(C)(C)C)CC2)CC1,QUWTVNCEEPVGQZ-UHFFFAOYSA-N
-rxn:4:219381:226495,CCN(CC)c1cc(-c2cnc(SC)nc2N2CCN(S(=O)(=O)C3CC3)CC2)c(F)cn1,YRGJKZHGOOJAIR-UHFFFAOYSA-N
-rxn:4:219388:223540,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1ccc(C(=O)N2CCCN(S(=O)(=O)c3c[nH]cn3)CC2)o1,NOXZKLFSDXDHDQ-UHFFFAOYSA-N
-rxn:4:219402:223945,CC(C)(C)OC(=O)N1CCN(c2cnc(-c3ccc(OCCCN4CCOCC4)c(F)c3)cn2)CC1,GSBJVYCQEZLDAG-UHFFFAOYSA-N
-rxn:4:219404:223650,CC(C)(C)OC(=O)N1CCN(c2cncc(-c3ccccc3N3CCN(C(=O)OC(C)(C)C)CC3)n2)CC1,IOQKPAUYYSTYAL-UHFFFAOYSA-N
-rxn:4:219414:227480,CCCOc1nccc(-c2cnc(N3CCOC(C(=O)N4CCCC4)C3)c(C#N)c2)c1Cl,IHNGNWOOAJERFV-UHFFFAOYSA-N
-rxn:4:219431:222759,Cc1cc(NC(=O)OC(C)(C)C)cc(-c2ccccc2S(=O)(=O)N2CCC(n3cc(C4CC4)nn3)C2)c1,OVGWMYOPWRVTQQ-UHFFFAOYSA-N
-rxn:4:219433:222702,O=C(c1ccc(-c2cc(C3CCCNC3)ccc2C(F)(F)F)o1)N1CCN(c2ccc(C3CC3)nn2)CC1,FJIAOTGOBGIEDX-UHFFFAOYSA-N
-rxn:4:219436:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cnc(N4CCOC(C(=O)N5CCOCC5)C4)c(C#N)c3)c2Cl)CC1,WKGACTXORHFWTH-UHFFFAOYSA-N
-rxn:4:219462:225127,Cc1cc(-c2cnc(OC3CCCN(S(=O)(=O)N4CCCC4)C3)nc2)c(F)c(OCC(C)C)c1F,WMWWIOXLRXBSGL-UHFFFAOYSA-N
-rxn:4:219473:226231,CCCCOc1ncc(-c2cnc(N3CCOC(C(=O)N4CCCC4)C3)nc2OC)cc1C,SKMBCLJKPNYHHV-UHFFFAOYSA-N
-rxn:4:219478:225764,CCCOc1c(F)c(C)cc(-c2ccc(Cl)c(C(=O)N3CCC(S(=O)(=O)c4nncn4C)CC3)c2)c1F,ZQBGDDVVRVFZLO-UHFFFAOYSA-N
-rxn:4:219516:226183,CN1CC(CN2CCC(Oc3ncc(-c4cnccc4C4CCCCC4)cn3)CC2)CC1=O,OWCULGDPLWUEND-UHFFFAOYSA-N
-rxn:4:219517:226554,CCCOc1cc(F)c(-c2cnc(OCC3CCCN(C4CCN(C)C4=O)C3)nc2)cc1F,DQKQPSGKKWFZJX-UHFFFAOYSA-N
-rxn:4:219531:227110,CSc1ncc(-c2cc(C3CC3)c(C)cc2Cl)c(N2CCOC(C(=O)N3CCCCC3)C2)n1,XUABBRZNEPZAIY-UHFFFAOYSA-N
-rxn:4:219552:228094,CCCOc1cncc(-c2cnc(N3CCC(C(=O)N4CCC(F)(F)CC4)CC3)nc2OC)c1,IRZVPQYJSOAFSI-UHFFFAOYSA-N
-rxn:4:219560:223584,COc1ccc(CN(C)S(=O)(=O)c2ccc(-c3ccccc3C(=O)N3CCCN(S(=O)(=O)c4cn(C)c(C)n4)CC3)cc2)cc1,XYJRKFFNKTVUPS-UHFFFAOYSA-N
-rxn:4:219565:226182,Cc1cc(C)c(C#N)c(N2CCCN(S(=O)(=O)c3ccc(-c4cccnc4C4CCCCC4)cc3)CC2)n1,MAERQDPDVVVVBK-UHFFFAOYSA-N
-rxn:4:219653:222684,CC(C)(C)OC(=O)N1CCN(c2nc3ccc(-c4ccc(OCCN5CCNCC5)c(Cl)c4)nc3s2)CC1,IYLDHMSAZBMDDU-UHFFFAOYSA-N
-rxn:4:219653:225882,CC(C)(C)OC(=O)N1CCN(c2nc3ccc(-c4cnc(Cl)c(C5CCOCC5)c4)nc3s2)CC1,IVVNFAHPIVVSOF-UHFFFAOYSA-N
-rxn:4:219654:224712,CC(=O)OC(OC(C)=O)c1ccc(-c2cc3c(N4CCN(C(=O)OC(C)(C)C)CC4)ncnc3s2)cc1,FVZZQCNGUQXUBR-UHFFFAOYSA-N
-rxn:4:219687:225984,CC(C)(C)OC(=O)N1CCC(n2nnc3ccc(-c4cnc(Cl)c(N5CCOCC5)c4)cc32)CC1,NRIMOHYUSSHLSI-UHFFFAOYSA-N
-rxn:4:219689:224192,CCN1CCN(Cc2ccc(F)cc2-c2cnc3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)cn23)CC1,ABKZXDPWDKBJOE-UHFFFAOYSA-N
-rxn:4:219697:224015,Cc1cc(F)c(-c2ccc(CC(=O)N3Cc4cnc(N5CCOCC5)nc4C3)cc2)cc1S(=O)(=O)N1CCOCC1,SYGNOKJVUVRVCG-UHFFFAOYSA-N
-rxn:4:219697:224672,CCN1CCN(c2ccc(-c3ccc(CC(=O)N4Cc5cnc(N6CCOCC6)nc5C4)cc3)c(Cl)c2)CC1,HDWDHLIYTCZBMU-UHFFFAOYSA-N
-rxn:4:219750:222729,CCCc1cc(-c2ccc(OC)cc2C(=O)N2CCCc3cnc(N4CCOCC4)nc32)cc(C2CCCNC2)n1,QLAPWLDMRMGPQE-UHFFFAOYSA-N
-rxn:4:219907:222584,Cc1c(C(=O)N2CCOCC2)nnn1-c1ccc(-c2ccc(OCCCN3CCNCC3)c(F)c2)cc1,LVSISNSYLDFKFI-UHFFFAOYSA-N
-rxn:4:219917:222792,CC(C)(C)OC(=O)Nc1ccc(F)c(-c2ccccc2S(=O)(=O)N2CCN(c3ncc(F)cn3)C(=O)C2)c1,OFSMOUKHJOPLLL-UHFFFAOYSA-N
-rxn:4:219959:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)nc2)CC1,MYIGOKATNUSGSR-UHFFFAOYSA-N
-rxn:4:219959:226183,O=C(C1CN(c2ncc(-c3cnccc3C3CCCCC3)cn2)CCO1)N1CCOCC1,XDRDUURKJBXPRW-UHFFFAOYSA-N
-rxn:4:220137:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc2nc(N3CCN(S(=O)(=O)C4CC4)CC3)ncc2c1,AAXNSIUPBVOWFL-UHFFFAOYSA-N
-rxn:4:220159:223689,CCN1CCN(S(=O)(=O)c2cc(-c3ccc4nc(N5CCC(c6nnc(C7CC7)o6)CC5)sc4c3)ccc2OC)CC1,CRFDPADONWNYDZ-UHFFFAOYSA-N
-rxn:4:220162:224161,CSc1ncc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)C3)c(N2CC(N3CC4CCCC4C3)C2)n1,BSRIRALNWNVGIN-UHFFFAOYSA-N
-rxn:4:220209:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccccc1S(=O)(=O)N1CCCc2cnc(N3CCOCC3)nc21,BCHZHBIPCILUSZ-UHFFFAOYSA-N
-rxn:4:220223:226016,CC1CCN(C(=O)c2nnn3c2COC(c2ccc(-c4ccc(OCC(F)(F)F)cc4Cl)cc2)C3)CC1,QXMLCHVKVXEPEQ-UHFFFAOYSA-N
-rxn:4:220268:224485,Cc1cc(C)c(C)c(C2=NON3N(C(=O)c4ccccc4-c4ccn([Si](C(C)C)(C(C)C)C(C)C)c4)c4ccccc4N23)c1C,YISOYPJYQQTODI-UHFFFAOYSA-N
-rxn:4:220430:222538,c1nc(N2CCCN(C3CCSC3)CC2)ncc1-c1cc(C2CCCC2)nc(C2CCNCC2)c1,MLBUMHSKWAWJNW-UHFFFAOYSA-N
-rxn:4:220430:223846,Cc1cc(-c2cnc(N3CCCN(C4CCSC4)CC3)nc2)cc(C2CC3CCC2(C)C3(C)C)c1,JQCZPBNIZOLBQC-UHFFFAOYSA-N
-rxn:4:220461:223844,CC(C)C(=O)N1CCn2nc(-c3ccc(S(=O)(=O)N4CCCC4)cc3C(F)(F)F)nc2C1,PVTODSWDXKRISE-UHFFFAOYSA-N
-rxn:4:220540:225219,Cc1cc(C)cc(N2C(=O)C3N=NN(c4ccc(-c5cnc(N6CCCCC6C)cc5F)cc4)C3C2=O)c1,ROCXWMPYFAUQNF-UHFFFAOYSA-N
-rxn:4:220546:222602,CC(C)Cc1cc(-c2ccc(N3CCN(c4ncnc5c4CCC5)CC3)cc2)c(S(=O)(=O)NC(C)(C)C)s1,JXRAGJFRDOSPFO-UHFFFAOYSA-N
-rxn:4:221117:223591,CC(C)(C)OC(=O)N1CCN(c2ccc(F)c(-c3ccc4nc(N(CCN5CCOCC5)C(=O)c5cnccn5)sc4c3)c2)CC1,RHBAHXNIQCBZEL-UHFFFAOYSA-N
-rxn:4:221148:223590,Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1-c1cnc(OCC2CCCN(c3ncccc3C#N)C2)nc1,PFTHPPRHCXSREK-UHFFFAOYSA-N
-rxn:4:221148:224376,CN1CCN(S(=O)(=O)c2cccc(-c3cnc(OCC4CCCN(c5ncccc5C#N)C4)nc3)c2)CC1,YWKAOAPVKAHCAX-UHFFFAOYSA-N
-rxn:4:221172:224649,Cn1nc(C(=O)N2CCC(COc3ncc(-c4cc(F)ccc4OCC4CCCCO4)cn3)CC2)ccc1=O,CUNVDCAVVLOKPP-UHFFFAOYSA-N
-rxn:4:221173:225054,CC1CCCCN1c1ccc(-c2cnc(OCC3CCCN(C(=O)c4ccc(=O)n(C)n4)C3)nc2)c(Cl)c1,CEXSICGAPLSBKS-UHFFFAOYSA-N
-rxn:4:221175:224664,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4cc(F)cc(CN5CCN(C)CC5)c4)cn3)C2)C(=O)C1=O,IINNHQVVFKPYIU-UHFFFAOYSA-N
-rxn:4:221176:225750,CCN(CC)c1cc(-c2cnc(OCC3CCCN(c4cc(C(F)(F)F)nc(C)n4)C3)nc2)cc(F)c1F,DICUWCGWTVLEBW-UHFFFAOYSA-N
-rxn:4:221177:224732,CC(C)(C)COS(=O)(=O)c1ccc(-c2cnc(N3CCC(COc4cc(C5CC5)ncn4)CC3)nc2)cc1,ZLGMCAKTINUODY-UHFFFAOYSA-N
-rxn:4:221179:222582,O=C(NCCN1CCOCC1)c1cccc(-c2cnc(OCC3CCCN(c4ccnc(C5CC5)n4)C3)nc2)c1,PBJQKXZZOBVFKT-UHFFFAOYSA-N
-rxn:4:221179:223926,c1cc(N2CCCC(COc3ncc(-c4ccc(CN5CCC6(CC5)OCCO6)cc4)cn3)C2)nc(C2CC2)n1,SWDQZFUNJOLWKB-UHFFFAOYSA-N
-rxn:4:221179:224088,c1cc(N2CCCC(COc3ncc(-c4ccc(OCCN5CCCCCC5)cc4)cn3)C2)nc(C2CC2)n1,AODLIIOCCKJOAX-UHFFFAOYSA-N
-rxn:4:221179:224199,CC(=O)N1CCN(Cc2ccc(-c3cnc(OCC4CCCN(c5ccnc(C6CC6)n5)C4)nc3)cc2)CC1,KRGQNPPUOITJOR-UHFFFAOYSA-N
-rxn:4:221179:224587,CC1CCN(Cc2ccc(-c3cnc(OCC4CCCN(c5ccnc(C6CC6)n5)C4)nc3)cc2F)CC1,JBAJYRYJGRGYJN-UHFFFAOYSA-N
-rxn:4:221191:222540,Cc1cc(N2CCCC(COc3ncc(-c4cccc(C(=O)NCCN5CCCCC5)c4)cn3)C2)nc(C2CC2)n1,RRTHXRKFPKOTIZ-UHFFFAOYSA-N
-rxn:4:221206:226507,CC(C)COc1cc(-c2ccc(CCN3CCN(c4cc(N5CCOCC5)ncn4)CC3)cc2)c(F)cn1,KQVJGQYPDRLFGE-UHFFFAOYSA-N
-rxn:4:221227:224251,CC1CCCN(C(=O)c2ccc(-c3cnc(OCC4CCCN(C(=O)c5ccc6nccnc6c5)C4)nc3)c(F)c2)C1,QPMSKLDIIQHNMA-UHFFFAOYSA-N
-rxn:4:221228:222674,O=C(NC1CCCCC1)c1cccc(-c2cnc(OCC3CCN(C(=O)c4cnc5ccccc5n4)CC3)nc2)c1F,HRDGGQRGNKWKJT-UHFFFAOYSA-N
-rxn:4:221230:224609,CC(C)N(C(=O)c1ccncc1-c1cnc(OCC2CCCN(c3nc4c(cc3C#N)CCC4)C2)nc1)C(C)C,BDVUDAINJGSCCX-UHFFFAOYSA-N
-rxn:4:221232:222524,N#Cc1cc2c(nc1N1CCCC(COc3ncc(-c4cc(F)c(F)cc4S(=O)(=O)N4CCC(O)CC4)cn3)C1)CCOC2,IQTCAPMIVZVPKH-UHFFFAOYSA-N
-rxn:4:221232:224820,N#Cc1cc2c(nc1N1CCCC(COc3ncc(-c4cccc(S(=O)(=O)N5CCOCC5)c4)cn3)C1)CCOC2,YGVWJPOYVXLRCF-UHFFFAOYSA-N
-rxn:4:221250:226507,CC(C)COc1cc(-c2ccc(C3=NN(C(=O)CN4CCCCC4)C(c4nc5ccccc5[nH]4)C3)cc2)c(F)cn1,LSEWNADKEIJTKZ-UHFFFAOYSA-N
-rxn:4:221347:223504,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(OCC4CCN(c5ncc(F)cn5)CC4)nc3)cc2[N+](=O)[O-])CC1,PYFFNKHNZZMDRW-UHFFFAOYSA-N
-rxn:4:221348:223977,CC(C)(C)OC(=O)c1ccc(C(F)(F)F)cc1-c1cnc(OCC2CCCN(c3ncc(F)cn3)C2)nc1,PDAYODHDZOXWGO-UHFFFAOYSA-N
-rxn:4:221372:222772,CN(C)c1cnnc(N2CCN(C(=O)c3ccc(-c4ccc(Cl)c(C(=O)NC5CCCC5)c4)o3)CC2)c1,DKXWJWDAOCZZRK-UHFFFAOYSA-N
-rxn:4:221373:224291,Cc1n[nH]c(C)c1C(=O)N1CCCC(Oc2ncc(-c3ccc(OCCN4CCOCC4)c(F)c3)cn2)C1,TWSKPVSPRBWSBW-UHFFFAOYSA-N
-rxn:4:221380:224742,COc1cc(OC)c(C2OCCO2)cc1-c1cncc(C(=O)N2CCC(n3nc(C(F)(F)F)n(C)c3=O)CC2)c1,JCUATZFDMXNSMC-UHFFFAOYSA-N
-rxn:4:221394:224732,CC(C)(C)COS(=O)(=O)c1ccc(-c2cnc(N3CCC(Cn4nc(C5CC5)ccc4=O)CC3)nc2)cc1,LOBZDKGZQDMKJJ-UHFFFAOYSA-N
-rxn:4:221402:222537,CN(C)c1nccc(N2CCN(Cc3ccccc3-c3cc(C4CCCC4)nc(C4CCCNC4)c3)CC2)n1,LRJVMYFALJYJBA-UHFFFAOYSA-N
-rxn:4:221440:222658,Cc1cc(N2CCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(F)cc(C(=O)NC5CCCCC5)c4)cc3)CC2)n1,DDUNLDABOZWJLX-UHFFFAOYSA-N
-rxn:4:221440:227278,Cc1cc(N2CCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C5(C#N)CC5)nc4)cc3)CC2)n1,INZHBVWNHWIKBC-UHFFFAOYSA-N
-rxn:4:221440:227285,Cc1cc(N2CCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(C#N)cnc4C4CC4)cc3)CC2)n1,RVJPNABSCXOENT-UHFFFAOYSA-N
-rxn:4:221443:226513,COC(=O)c1cc(C#N)cc(-c2cccc(CN3CCN(c4cc(N5CCOCC5)nc(C)n4)CC3)c2)c1,DABIPGAUBMKBDN-UHFFFAOYSA-N
-rxn:4:221449:222770,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C(=O)NC5CCCC5)c(Cl)c4)cc3)CC2)n1,JVXCGZWRKFFADP-UHFFFAOYSA-N
-rxn:4:221451:226311,CCCOc1ccc(C)c(F)c1-c1ccccc1C(=O)N1CCN(c2nc(C)cc(N3CCCCC3)n2)CC1,FIHRYHQBNUDQOB-UHFFFAOYSA-N
-rxn:4:221731:224258,CC1CCCCN1C(=O)c1ccc(-c2cnc(N3CCC(Cn4nc5c(cc4=O)CCCC5)CC3)nc2)c(Cl)c1,VGXWMDQBCRHYHV-UHFFFAOYSA-N
-rxn:4:221779:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1ccc(S(=O)(=O)c2nnn3c2nc(N2CCC4(CC2)OCCO4)c2ccccc23)cc1,SCUNHRCLTJCAGB-UHFFFAOYSA-N
-rxn:4:221910:223606,CN(C)/C=N/c1nc(-c2ccc(-c3ccc(S(=O)(=O)N4CCC5(CC4)OCCO5)c(F)c3)cc2)c(C#N)c(C#N)c1C#N,GJKUXAHVEJWJBI-XZYGTATASA-N
-rxn:4:221910:224316,CN(C)/C=N/c1nc(-c2ccc(-c3cc(F)cc(C(=O)N4CCN(C)CC4)c3)cc2)c(C#N)c(C#N)c1C#N,PTBOHLPFSOPIAF-FABQOPTDSA-N
-rxn:4:221932:223959,CCN1CCN(C(=O)c2cc(-c3cnn(CC4CN(c5nc(OC)nc(OC)n5)C4)c3)ccc2Cl)CC1,QYRRHFFSXKQZLM-UHFFFAOYSA-N
-rxn:4:221935:223531,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cnc(OCC4CCCN(c5nccnc5C#N)C4)nc3)cc2Cl)CC1,FIYYYCQXZKOERH-UHFFFAOYSA-N
-rxn:4:221937:223787,CN1CCN(CCCOc2ccc(-c3cnc(OCC4CCN(C(=O)c5cn(C)nn5)CC4)nc3)cc2F)CC1,ZLDDPQYELKOBEZ-UHFFFAOYSA-N
-rxn:4:221939:222723,Cn1ncnc1CN1CCC(COc2ncc(-c3cccc(NS(=O)(=O)N4CCOCC4)c3)cn2)CC1,PUXCNOXMJPLMOI-UHFFFAOYSA-N
-rxn:4:221977:223776,CC(C)(C)OC(=O)N1CCOc2ccc(-c3cnc(OCC4CCCN(c5nccn6nc(C7CC7)cc56)C4)nc3)cc2C1,OEQHQQOUEORNLI-UHFFFAOYSA-N
-rxn:4:221981:226715,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5cccc(-c6cnn(C(=O)OC(C)(C)C)c6)c5)no4)C3C2=O)cc1,ALEZBHHHCLGQFF-UHFFFAOYSA-N
-rxn:4:221986:222934,CCNC(=O)c1cc(-c2ccc(Cn3c(CN4CCN(CC)CC4)nc4c3c(=O)n(C)c(=O)n4C)cc2)cc([N+](=O)[O-])c1,VAJMVHBJPFDSMV-UHFFFAOYSA-N
-rxn:4:222029:224768,CN(C)c1ccnc(N2CCN(c3ncc(C(F)(F)F)cc3-c3cc(F)c(C(=O)N4CCCC4)c(F)c3)CC2)n1,ZSANDZQSIPAGND-UHFFFAOYSA-N
-rxn:4:222046:224321,CCc1c(C)nc(C2CC2)nc1N1CCN(c2ncc(-c3cccc(S(=O)(=O)N4CCC(C)CC4)c3)cn2)CC1,KGYSVARILDMKDJ-UHFFFAOYSA-N
-rxn:4:222055:224819,Cc1cc(C)n(-c2ccc(N3CCN(S(=O)(=O)c4cccc(-c5ccc(S(=O)(=O)N6CCOCC6)cc5)c4)CC3)nn2)n1,MJSNYCMIBNKYCE-UHFFFAOYSA-N
-rxn:4:222062:227960,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccncc4C4CCC4)cc3)CC2)n1,FZHCNHBZOZJYDT-UHFFFAOYSA-N
-rxn:4:222062:229011,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C5CC5)s4)cc3)CC2)n1,VIERVOHRRKLLHZ-UHFFFAOYSA-N
-rxn:4:222108:225982,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cnc(N7CCOCC7)cc6F)cc5)no4)C3C2=O)cc1F,TYKPNUOASSHCMF-UHFFFAOYSA-N
-rxn:4:222123:226843,O=C1C2N=NN(Cc3nc(-c4ccc(-c5ccc(C(=O)C(F)(F)F)nc5)cc4)no3)C2C(=O)N1c1ccc2c(c1)CCC2,TTXWWUQQJIPQOY-UHFFFAOYSA-N
-rxn:4:222155:222465,c1nc(C2CC2)cc(N2CCN(c3ncc(-c4cc(C5CCCCC5)nc(C5CCCNC5)c4)cn3)CC2)n1,FIXKLBSJIDFMKL-UHFFFAOYSA-N
-rxn:4:222162:223493,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1cnc(N2CCN(c3cc(C4CCC4)ncn3)CC2)nc1,AYZUFKAKQQRGMO-UHFFFAOYSA-N
-rxn:4:222162:223810,Cc1cc(-c2cnc(N3CCN(c4cc(C5CCC5)ncn4)CC3)nc2)cc(C)c1S(=O)(=O)N1CCC(C)CC1,UGEYCOORFKTJLX-UHFFFAOYSA-N
-rxn:4:222228:223596,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)ccc2-c2ccc3nc(N4CCN(c5ccc6nccn6n5)CC4)sc3c2)CC1,MZYKFODKYIQEMW-UHFFFAOYSA-N
-rxn:4:222307:225196,CCc1nnc2ccc(N3CC4CN(C(=O)c5cncc(-c6cc(Cl)c(F)c(OC7CCCC7)c6)c5)CC4C3)nn12,HNQZKXAFLJMJBJ-UHFFFAOYSA-N
-rxn:4:222329:222807,O=C(NC1CC1)c1cc(-c2cnc(N3CCN(c4nccc(N5CCCC5)n4)CC3)nc2)cc([N+](=O)[O-])c1,BYFOUYWGIOTSMM-UHFFFAOYSA-N
-rxn:4:222331:222522,COc1ccc(-c2cnc(N3CCN(c4nccc(N5CCOCC5)n4)CC3)nc2)cc1S(=O)(=O)N1CCC(O)CC1,IFKYHJKOSMBNFN-UHFFFAOYSA-N
-rxn:4:222331:223489,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCN(c5nccc(N6CCOCC6)n5)CC4)nc3)cc2)CC1,QCACEEPORWBLLN-UHFFFAOYSA-N
-rxn:4:222339:224818,Cc1nc(N2CCN(C)CC2)cc(N2CCN(c3cncc(-c4ccc(S(=O)(=O)N5CCSCC5)cc4)c3)CC2)n1,DANYIKKDCBMCSN-UHFFFAOYSA-N
-rxn:4:222351:224321,CC1CCN(S(=O)(=O)c2cccc(-c3cnc(N4CCN(c5ccc6nc(C(C)(C)C)cn6n5)CC4)nc3)c2)CC1,ASRMAVQKJBRTQH-UHFFFAOYSA-N
-rxn:4:222360:223539,COCCn1cnc2c(N3CCN(c4ncc(-c5ccc(OC)c(S(=O)(=O)N6CCC7(CC6)OCCO7)c5)cn4)CC3)ncnc21,SKGWLGVQGLHXMI-UHFFFAOYSA-N
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-rxn:4:222633:206797,CS(=O)(=O)N1CCOC(c2ccc(-c3ccc(C(=O)NCCN4CCCC4)cc3)cn2)C1,LLNAXNRPDBUXGN-UHFFFAOYSA-N
-rxn:4:222670:184099,CC(c1ccc(-c2cccc(C(=O)Nc3ccccc3Cl)c2)cc1)N(C(=O)OC(C)(C)C)C1CCC(C)(C)CC1,SSLFJKGMWXGGDS-UHFFFAOYSA-N
-rxn:4:222782:184985,Cc1cc(-c2ccc(OCC3CN(C(=O)C(C)C)C3)cc2)cnc1NC(=O)OC(C)(C)C,JJEHLLGSXCPDBC-UHFFFAOYSA-N
-rxn:4:222790:174656,CC(C)[Si](C#Cc1cccc2cccc(-c3cc(Cl)cc(NC(=O)OC(C)(C)C)c3)c12)(C(C)C)C(C)C,OZPLEBUZBPJEQA-UHFFFAOYSA-N
-rxn:4:222810:174522,CC(C)[Si](C#Cc1ccc(-c2cc(NC(=O)OC(C)(C)C)ncc2Cl)cc1)(C(C)C)C(C)C,JEIGWINCBJYNHA-UHFFFAOYSA-N
-rxn:4:222812:174656,CC(C)[Si](C#Cc1cccc2cccc(-c3cnc(Cl)c(NC(=O)OC(C)(C)C)c3)c12)(C(C)C)C(C)C,DFSGUWBXQYBYIT-UHFFFAOYSA-N
-rxn:4:222901:174525,CCCOc1c(-c2ccc(CNS(=O)(=O)CCC)cc2)cc(C(C)(C)C)cc1C(C)(C)C,KUQDOTGIJZVJDD-UHFFFAOYSA-N
-rxn:4:222941:187418,CONS(=O)(=O)c1c(C)cc(-c2cccc(C3CCN(C(=O)OC(C)(C)C)C3)c2)cc1C,RAYPVJJYLCKHIU-UHFFFAOYSA-N
-rxn:4:223071:215216,CCS(=O)(=O)NCc1ccc(-c2ccc3nc(N4CCCC(C(=O)N5CCOCC5)C4)sc3c2)cc1,FLWYBRBBGCDXCJ-UHFFFAOYSA-N
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-rxn:4:223091:174522,CC(C)[Si](C#Cc1ccc(-c2cnc(NC(=O)OC(C)(C)C)s2)cc1)(C(C)C)C(C)C,YAGXKEQQRCYUBI-UHFFFAOYSA-N
-rxn:4:223093:174526,Cc1c(-c2cncc(NS(=O)(=O)C(C)C)c2)ccc(O[Si](C(C)C)(C(C)C)C(C)C)c1Cl,SFQVKJHLOPLDIG-UHFFFAOYSA-N
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-rxn:5:176556:225943:223062,O=C(c1ccc(-c2cc(-c3cnc(C4CCNCC4)cc3F)ccc2OCC2CO2)s1)N1CCOCC1,QISWZOASSFPHJP-UHFFFAOYSA-N
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-rxn:5:176993:225607:223061,CCCC(=O)c1ccc(-c2cc(C3CCNCC3)ncc2F)c(-c2ccc(C(C)N3CCCCC3)s2)c1,FCCYJKHZLUWYTJ-UHFFFAOYSA-N
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-rxn:5:177181:225601:223058,CC(C)OC(=O)c1ccc(-c2ccc(C3(C#N)CCC3)cc2F)c(-c2cc(F)nc(C3CCCNC3)c2)c1,NCPITOBGYDWANS-UHFFFAOYSA-N
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-rxn:5:177190:222960:225805,CCS(=O)(=O)Cc1ccc(-c2ccc(C(C)N3CCOCC3)s2)c(-c2cc(C)cc(C3CCNCC3)c2)c1,VGGIXRACFDLOCG-UHFFFAOYSA-N
-rxn:5:177190:225805:226426,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCC(C)CC3)s2)c(-c2ccc(C(C)N3CCOCC3)s2)c1,YEVWVUZDFDZZSA-UHFFFAOYSA-N
-rxn:5:177191:223063:225601,N#CC1(c2ccc(-c3ccc(CC(=O)C4CC4)c(-c4cc(F)nc(C5CCNCC5)c4)c3)c(F)c2)CCC1,IJFKVQXGPLSSEW-UHFFFAOYSA-N
-rxn:5:177191:225603:223062,N#CC1(c2cccc(-c3cc(-c4cnc(C5CCNCC5)cc4F)ccc3CC(=O)C3CC3)c2F)CCC1,DKVZTXRWLGNFNC-UHFFFAOYSA-N
-rxn:5:177192:222987:225926,CCOC(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCC3)cc2)c(-c2ccc(C3CCNCC3)nc2C)c1C,ZQMFKEGZBXVRNS-UHFFFAOYSA-N
-rxn:5:177193:222987:223065,CCOC(=O)c1cc(C)c(-c2ccc(C3CCNCC3)nc2C)cc1-c1ccc(N2CCNCC2)cc1F,HIXOBNWTJZUTEX-UHFFFAOYSA-N
-rxn:5:177373:225881:223001,Fc1ccc(C2CCCNC2)cc1-c1ccc(OCC2OCCO2)c(-c2ccc(C3CCOCC3)nc2F)c1,VGYJYIKYZVRSPE-UHFFFAOYSA-N
-rxn:5:177373:227803:225881,CN(C)S(=O)(=O)n1nccc1-c1cc(-c2ccc(C3CCOCC3)nc2F)ccc1OCC1OCCO1,ZZMQCCAXUPKHPU-UHFFFAOYSA-N
-rxn:5:177729:223133:225438,CC(c1ccc(-c2cc(-c3ccccc3N3CCNCC3)ccc2C(=O)OC(C)(C)C)cc1)N1CCCC1,ZGUXTOXJCDAWKP-UHFFFAOYSA-N
-rxn:5:177729:225451:226146,CC(C)(C)OC(=O)c1ccc(-c2ccc(SC3CCCCC3)cc2)cc1-c1ccc(SC2CCCC2)cc1,MKHOKMWEJTWZNZ-UHFFFAOYSA-N
-rxn:5:177730:223131:223054,CC(c1ccc(-c2ccc(-c3ccc(N4CCNCC4)cc3)cc2C(=O)OC(C)(C)C)s1)N1CCC(O)C1,SZNUOKUKOPKEKH-UHFFFAOYSA-N
-rxn:5:177730:225394:226150,CC(C)(C)OC(=O)c1cc(-c2cc(C3CCC3)cc(C3CC3)c2)ccc1-c1cccc(SC2CCCC2)c1,PSZZKTVTUBENCH-UHFFFAOYSA-N
-rxn:5:177731:226794:225849,CC(C)(C)OC(=O)c1ccc(-c2cnc(N3CCCCC3)cc2F)cc1-c1cnc(N2CCSCC2)nc1,JJEVBXBIOSTEEJ-UHFFFAOYSA-N
-rxn:5:177732:222959:225671,Cc1cc(-c2ccc(C(=O)OC(C)(C)C)cc2-c2cc(C3CCCCC3)ncc2F)ccc1C1CCNCC1,PCCLSFHAUMBGIJ-UHFFFAOYSA-N
-rxn:5:177732:223061:226663,CC(C)(C)OC(=O)c1ccc(-c2cc(C3CCNCC3)ncc2F)c(-c2ccc(N3CCSCC3)nc2)c1,NTNZIDBWWCIIEB-UHFFFAOYSA-N
-rxn:5:177732:225439:223139,CC(c1cccc(-c2ccc(C(=O)OC(C)(C)C)cc2-c2ccc(C3CCNCC3)nc2)c1)N1CCCC1,JYLOZLVWSRVEJY-UHFFFAOYSA-N
-rxn:5:177733:226649:223054,CC(c1ccc(-c2cc(C(=O)OC(C)(C)C)cc(-c3cccnc3N3CCOCC3)c2)s1)N1CCC(O)C1,PBVNGSXEGLHABR-UHFFFAOYSA-N
-rxn:5:177734:223132:226662,Cc1cc(-c2cccc(N3CCNCC3)c2)c(-c2ccc(N3CCN(C)CC3)s2)cc1C(=O)OC(C)C,YBJHHJISLIAYDT-UHFFFAOYSA-N
-rxn:5:177734:225601:222405,Cc1cc(-c2ccc(C3(C#N)CCC3)cc2F)c(-c2cccc(C3NC(=O)NC3=O)c2)cc1C(=O)OC(C)C,WBRHSFMGWBJGAD-UHFFFAOYSA-N
-rxn:5:177735:225590:226794,Cc1cc(C(=O)OC(C)C)cc(-c2ccc(CN3CCCC3)c(F)c2)c1-c1cnc(N2CCSCC2)nc1,HIGLOVMHCOZFPZ-UHFFFAOYSA-N
-rxn:5:177735:225872:226794,Cc1cc(C(=O)OC(C)C)cc(-c2cc(F)c(F)c(N3CCCC3)c2)c1-c1cnc(N2CCSCC2)nc1,ATXZHRROUGYVBT-UHFFFAOYSA-N
-rxn:5:177735:225874:226794,Cc1cc(C(=O)OC(C)C)cc(-c2ccc(F)c(N3CCOCC3)c2)c1-c1cnc(N2CCSCC2)nc1,FXBOMWMFVCMWBM-UHFFFAOYSA-N
-rxn:5:177735:226794:225872,Cc1cc(C(=O)OC(C)C)cc(-c2cnc(N3CCSCC3)nc2)c1-c1cc(F)c(F)c(N2CCCC2)c1,XGPBTEHSNZSKMP-UHFFFAOYSA-N
-rxn:5:177736:223064:225978,CC(C)(C)OC(=O)c1ccc(-c2ccc(N3CCOCC3)nc2F)c(-c2ccc(C3CCNCC3)nc2F)c1,PCWJWPMBQKFGMI-UHFFFAOYSA-N
-rxn:5:177736:225982:225834,CC(C)(C)OC(=O)c1ccc(-c2cc(N3CCCCC3)ncc2F)c(-c2cnc(N3CCOCC3)cc2F)c1,SEOQVYMHECPZIL-UHFFFAOYSA-N
-rxn:5:177737:225976:226661,CN1CCN(c2csc(-c3ccc(-c4ccnc(N5CCOCC5)c4F)c(C(=O)OC(C)(C)C)c3)c2)CC1,ZPLVTSRQXVJDFM-UHFFFAOYSA-N
-rxn:5:177850:225986:223240,CCOc1ccc(-c2ccccc2N2CCCS2(=O)=O)c(C2OCCO2)c1-c1ccc(C2CCNC2)nc1,FXJVOMLIDWITSX-UHFFFAOYSA-N
-rxn:5:177850:227710:225976,CCOc1ccc(-c2ccc(OS(C)(=O)=O)cc2)c(C2OCCO2)c1-c1ccnc(N2CCOCC2)c1F,MFGFLQRJXAUIMM-UHFFFAOYSA-N
-rxn:5:177851:226883:226838,CCOc1c(-c2cnc(C#N)c(C(F)(F)F)c2)cc(C2OCCO2)cc1-c1c(F)ccc(C(F)(F)F)c1F,ZZEJZNIBDAYJIT-UHFFFAOYSA-N
-rxn:5:177891:223295:226649,CS(=O)(=O)Nc1cncc(-c2ccccc2C(=O)SC2CS(=O)(=O)CC2c2cccnc2N2CCOCC2)c1,LLCCOJISJAJAQF-UHFFFAOYSA-N
-rxn:5:177891:225805:228690,CCOc1cncc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2ccc(C(C)N3CCOCC3)s2)c1,CVEPFAMCUUSMBM-UHFFFAOYSA-N
-rxn:5:177891:225943:226645,O=C(SC1CS(=O)(=O)CC1c1ccnc(N2CCOCC2)c1)c1ccccc1-c1ccc(C(=O)N2CCOCC2)s1,KXZREYHYMABLOV-UHFFFAOYSA-N
-rxn:5:177891:226583:226447,O=C(SC1CS(=O)(=O)CC1c1ccnc(C2CCOCC2)c1)c1ccccc1-c1ccc(CN2CCOCC2)s1,AAIHMSUWBXHNQQ-UHFFFAOYSA-N
-rxn:5:177891:226645:223148,O=C(SC1CS(=O)(=O)CC1c1ccccc1C1CNCCO1)c1ccccc1-c1ccnc(N2CCOCC2)c1,LTHRXGXIOKQLNO-UHFFFAOYSA-N
-rxn:5:177891:226645:225803,O=C(SC1CS(=O)(=O)CC1c1ccnc(OC2CCOCC2)c1)c1ccccc1-c1ccnc(N2CCOCC2)c1,OBUCTFWDRPLBEW-UHFFFAOYSA-N
-rxn:5:177891:226645:227438,O=C(SC1CS(=O)(=O)CC1c1ccnc(C2CCOC2)c1)c1ccccc1-c1ccnc(N2CCOCC2)c1,TZFCXQMQHPJESN-UHFFFAOYSA-N
-rxn:5:177891:227438:226662,CN1CCN(c2ccc(C3CS(=O)(=O)CC3SC(=O)c3ccccc3-c3ccnc(C4CCOC4)c3)s2)CC1,IBESAPAQSGCTDS-UHFFFAOYSA-N
-rxn:5:177891:227656:225831,Cc1cc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2cc(N3CCOCC3)cs2)cnc1N1CCOCC1,ZJBMCWIPGNAZSN-UHFFFAOYSA-N
-rxn:5:177891:228681:226765,COC(=O)c1ccc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2ccnn2CC2CC2)c(F)c1F,UXWIJCBASMZSLN-UHFFFAOYSA-N
-rxn:5:177891:228878:226645,O=C(SC1CS(=O)(=O)CC1c1ccnc(N2CCOCC2)c1)c1ccccc1-c1cnn(C2COC2)c1,DQWRSRVUDPTLIF-UHFFFAOYSA-N
-rxn:5:178117:227449:227803,CN(C)S(=O)(=O)n1nccc1-c1ccc(-c2ccc(C3CCOCC3)s2)cc1OCC1CCOCC1,NBKZTIJYKCJLLN-UHFFFAOYSA-N
-rxn:5:178117:227505:225831,Cc1cc(-c2ccc(-c3ccc(/C=C/[N+](=O)[O-])cc3)cc2OCC2CCOCC2)cnc1N1CCOCC1,ZJDZGMQTPUMLNQ-DHZHZOJOSA-N
-rxn:5:178118:226152:225451,COc1cc(C2CC2)cc(-c2ccc(-c3ccc(SC4CCCCC4)cc3)cc2OCC2CCCCO2)c1C,XCDTUOQOUQPGGF-UHFFFAOYSA-N
-rxn:5:178121:226030:228349,COc1c(F)cc(-c2c(OCC3CCOCC3)cccc2-c2cnn(C3CCOC3)c2)cc1C(F)(F)F,WRODUJKWQCNJNR-UHFFFAOYSA-N
-rxn:5:178122:225437:226907,c1cc(CN2CCCCC2)cc(-c2ccc(COC3CCCCO3)c(-c3cccc4c3CCC43CC3)c2)c1,SBOHJDLZBJSMHL-UHFFFAOYSA-N
-rxn:5:178122:225453:227349,COc1cc(C)cc(-c2cc(-c3cccc(SC4CCCCC4)c3)ccc2COC2CCCCO2)c1OC,GSMUBEWHCUJNCC-UHFFFAOYSA-N
-rxn:5:178122:225499:227045,CC(C)(C)Sc1cccc(-c2cc(-c3ccc(C4CCCCC4)cc3F)ccc2COC2CCCCO2)c1,IWAJWPULPXBPKN-UHFFFAOYSA-N
-rxn:5:178122:225927:225880,CN(C)c1ccc(C(F)(F)F)cc1-c1ccc(COC2CCCCO2)c(-c2cc(C3CCOCC3)ncc2F)c1,VFUPTRUGKPNPPR-UHFFFAOYSA-N
-rxn:5:178224:225448:227562,COc1ccc(F)c(-c2cc(OCC3CCCCC3)cc(-c3cc(C)ccc3OC3CCCC3)c2)c1OC,AJPDTYUZILNMAB-UHFFFAOYSA-N
-rxn:5:178225:225451:227588,COc1cc(F)cc(OC)c1-c1c(OCC2CCCCC2)cccc1-c1ccc(SC2CCCCC2)cc1,VVGGVDYYGXJKJO-UHFFFAOYSA-N
-rxn:5:178295:222988:223068,COC(=O)C1(c2cc(-c3ccc4[nH]c(C(F)(F)F)cc4c3)ccc2-c2cc(C)nc(C3CCNCC3)c2)CCC(=O)CC1,FLWBAJKKWMLBBX-UHFFFAOYSA-N
-rxn:5:178295:222995:229225,CCn1cc(-c2ccc(-c3cccc(N4CCCC(O)C4)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)cn1,QHLVRVKPYJYDTP-UHFFFAOYSA-N
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-rxn:5:178295:223145:228200,COC(=O)C1(c2cc(-c3ccnn3C3CCCC3)ccc2-c2ccc(C3CCC(=O)N3)cc2)CCC(=O)CC1,MJTFJCOPUSVTMA-UHFFFAOYSA-N
-rxn:5:178295:223421:226069,CNC(C)c1ccc(-c2ccc(-c3cccc(C4CCCCC4)c3)cc2C2(C(=O)OC)CCC(=O)CC2)s1,DQKMAISIJJDDSP-UHFFFAOYSA-N
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-rxn:5:178295:225453:229206,CCc1cc(-c2ccc(-c3cccc(SC4CCCCC4)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)cs1,MBPNEGOZQFFVLL-UHFFFAOYSA-N
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-rxn:5:178295:226061:228560,CCSc1ccccc1-c1ccc(-c2cc(C(C)C)cc(C3CC3)c2)c(C2(C(=O)OC)CCC(=O)CC2)c1,CHWSGOMWQDTAGK-UHFFFAOYSA-N
-rxn:5:178295:226062:228567,CCC(C)c1sccc1-c1ccc(-c2cc(C(C)C)cc(C(C)C)c2)c(C2(C(=O)OC)CCC(=O)CC2)c1,SUQCAMKRTJAVOH-UHFFFAOYSA-N
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-rxn:5:178295:226767:228991,CCCc1sccc1-c1ccc(-c2cc(OC)ccc2C(F)(F)F)c(C2(C(=O)OC)CCC(=O)CC2)c1,HDOXCGMQIDMWPD-UHFFFAOYSA-N
-rxn:5:178295:226911:227834,CCc1cc(C)cc(CC)c1-c1ccc(-c2ccc(C3CC3)c(C)c2)cc1C1(C(=O)OC)CCC(=O)CC1,OMLGLSZMROKNIC-UHFFFAOYSA-N
-rxn:5:178295:226913:226191,CCc1cc(-c2ccc(-c3cc(C4CCCC4)ccc3F)cc2C2(C(=O)OC)CCC(=O)CC2)cc(C2CC2)c1,VAYBOISEVRYTHR-UHFFFAOYSA-N
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-rxn:5:178295:226974:227808,COC(=O)C1(c2cc(-c3ccc4c(c3)CCCC4)ccc2-c2ccc3c(c2)COC3(C)C)CCC(=O)CC1,NHCYVBZYEURNAS-UHFFFAOYSA-N
-rxn:5:178295:227057:228189,CCSc1ccc(F)c(-c2ccc(-c3cccc(OC)c3C3CC3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,FJXSDXGOBUMFRE-UHFFFAOYSA-N
-rxn:5:178295:227069:228178,COCc1ccc(F)c(-c2ccc(-c3ccc(OC)cc3C(C)C)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,DGQDNHUVGBCHFN-UHFFFAOYSA-N
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-rxn:5:178295:227591:226971,COC(=O)C1(c2cc(-c3ccc4c(c3)CCCOC4)ccc2-c2ccc(C(F)F)cc2OC)CCC(=O)CC1,PUSHNBDBNAQWJP-UHFFFAOYSA-N
-rxn:5:178295:227706:228173,CCOc1cc(F)ccc1-c1ccc(-c2cc(OC)cnc2C(F)F)c(C2(C(=O)OC)CCC(=O)CC2)c1,ORIFNIZRBSWSPD-UHFFFAOYSA-N
-rxn:5:178295:227813:226907,CCc1cccc(CC)c1-c1ccc(-c2cccc3c2CCC32CC2)cc1C1(C(=O)OC)CCC(=O)CC1,CWLQALVYMNWPGY-UHFFFAOYSA-N
-rxn:5:178295:227813:227705,CCc1cccc(CC)c1-c1ccc(-c2cnc(C(F)F)cc2OC)cc1C1(C(=O)OC)CCC(=O)CC1,FEFWZZKGTDTJEF-UHFFFAOYSA-N
-rxn:5:178295:227831:228002,CCc1c(C)cc(-c2ccc(-c3sccc3C3CCCC3)cc2C2(C(=O)OC)CCC(=O)CC2)cc1C,UOFMXXUTYJGREA-UHFFFAOYSA-N
-rxn:5:178295:228108:227045,CCc1ncc(C#N)cc1-c1ccc(-c2cccc(SC(C)(C)C)c2)cc1C1(C(=O)OC)CCC(=O)CC1,HEIMQEYOIPGPNY-UHFFFAOYSA-N
-rxn:5:178295:228177:225514,COCc1ccc(F)cc1-c1ccc(-c2cccc3c2OCC2(CC2)CO3)cc1C1(C(=O)OC)CCC(=O)CC1,DPWJADBUQQHNJJ-UHFFFAOYSA-N
-rxn:5:178295:228248:226910,CCC(C)(C)c1ccc(-c2ccc(-c3ccc(C(C)=O)cc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc1,REYWABXDCRDESW-UHFFFAOYSA-N
-rxn:5:178295:228274:227077,CCC(C)c1ccc(-c2ccc(-c3cc(SC)c(C)cc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)c1,OSCKATKESNFMJC-UHFFFAOYSA-N
-rxn:5:178295:228447:227313,CCC(C)c1cc(-c2ccc(-c3cccc(C(F)F)c3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)cn1,IBPVCDUACXZVTE-UHFFFAOYSA-N
-rxn:5:178295:228562:226341,CCC(C)c1csc(-c2ccc(-c3cc(C(C)C)c(F)cc3OC)cc2C2(C(=O)OC)CCC(=O)CC2)c1,LEVQPCUYOSKZSB-UHFFFAOYSA-N
-rxn:5:178295:228567:227119,CCC(C)c1sccc1-c1ccc(-c2cc(C3CCCCC3)cs2)cc1C1(C(=O)OC)CCC(=O)CC1,JIJLQMYGZBDSEI-UHFFFAOYSA-N
-rxn:5:178295:229183:225985,COC(=O)C1(c2cc(-c3cccc(N4CCCS4(=O)=O)c3)ccc2-c2cc(F)ncc2F)CCC(=O)CC1,ZOBWZCLARYPFCF-UHFFFAOYSA-N
-rxn:5:178313:225451:228002,CC(C)(C)[Si](C)(C)Oc1ccc(-c2ccc(SC3CCCCC3)cc2)c(-c2sccc2C2CCCC2)c1,JXPAZMMAPBTQDX-UHFFFAOYSA-N
-rxn:5:178313:226190:225453,CC(C)(C)[Si](C)(C)Oc1ccc(-c2ccc(C3CCCC3)cc2F)c(-c2cccc(SC3CCCCC3)c2)c1,KVGIFBBSSZSVLT-UHFFFAOYSA-N
-rxn:5:178313:226191:225451,CC(C)(C)[Si](C)(C)Oc1ccc(-c2cc(C3CCCC3)ccc2F)c(-c2ccc(SC3CCCCC3)cc2)c1,DKERQXNTZCSFEJ-UHFFFAOYSA-N
-rxn:5:178313:226907:225407,CC(C)(C)[Si](C)(C)Oc1ccc(-c2cccc3c2CCC32CC2)c(-c2ccc(C3CCCCCC3)cc2)c1,AVAJUUKLZPFKBW-UHFFFAOYSA-N
-rxn:5:178314:226918:225394,CC(C)(C)[Si](C)(C)Oc1cc(-c2ccc(C3=CCCC3)cc2)ccc1-c1cc(C2CCC2)cc(C2CC2)c1,IBGCLKPWCLPGJB-UHFFFAOYSA-N
-rxn:5:178315:226469:226444,Cc1nc(C2CCCO2)ccc1-c1cc(O[Si](C)(C)C(C)(C)C)cc(-c2ccc3c(c2)N(C)C(=O)CO3)c1,RNAKCUWHAOWYSO-UHFFFAOYSA-N
-rxn:5:178353:223002:223138,Cc1cc(OS(=O)(=O)c2cc(C)c(-c3ccc(C4CCNCC4)cc3F)cc2C)ccc1-c1ccnc(C2CCNCC2)c1,REQBSIBSSVPEGE-UHFFFAOYSA-N
-rxn:5:178353:223062:223142,Cc1cc(OS(=O)(=O)c2cc(C)c(-c3cnc(C4CCNCC4)cc3F)cc2C)ccc1-c1ccc(C2CCCNC2)nc1,YNKJIMWQNOBZRK-UHFFFAOYSA-N
-rxn:5:178353:223064:223140,Cc1cc(OS(=O)(=O)c2cc(C)c(-c3ccc(C4CCNCC4)nc3F)cc2C)ccc1-c1ccnc(C2CCCNC2)c1,QRVFIKXXJGWMQH-UHFFFAOYSA-N
-rxn:5:178353:223135:223062,Cc1cc(OS(=O)(=O)c2cc(C)c(-c3cccnc3C3CCCNC3)cc2C)ccc1-c1cnc(C2CCNCC2)cc1F,FDHASFQSIATNBM-UHFFFAOYSA-N
-rxn:5:178353:226139:223063,Cc1cc(OS(=O)(=O)c2cc(C)c(-c3cc(C4CC4)cnc3C3CC3)cc2C)ccc1-c1cc(F)nc(C2CCNCC2)c1,HRNGRMDOYGGBCM-UHFFFAOYSA-N
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-rxn:5:178466:223061:223063,CC(C)OC(=O)c1sc2cc(-c3cc(C4CCNCC4)ncc3F)ccc2c1-c1cc(F)nc(C2CCNCC2)c1,VCNOWJATPHWFMF-UHFFFAOYSA-N
-rxn:5:178466:223061:223065,CC(C)OC(=O)c1sc2cc(-c3cc(C4CCNCC4)ncc3F)ccc2c1-c1ccc(N2CCNCC2)cc1F,ZZQNIYYMAMLLRJ-UHFFFAOYSA-N
-rxn:5:178466:223061:225653,CC(C)OC(=O)c1sc2cc(-c3cc(C4CCNCC4)ncc3F)ccc2c1-c1ccc(N2CCCCC2C)nc1,NMRVWJAHRGALEP-UHFFFAOYSA-N
-rxn:5:178466:223061:225671,CC(C)OC(=O)c1sc2cc(-c3cc(C4CCNCC4)ncc3F)ccc2c1-c1cc(C2CCCCC2)ncc1F,IPIFSLIJELIFLF-UHFFFAOYSA-N
-rxn:5:178466:223061:225674,CC(C)OC(=O)c1sc2cc(-c3cc(C4CCNCC4)ncc3F)ccc2c1-c1cnc(C2CCCCC2)cc1F,DFVUCIJCQYGBEJ-UHFFFAOYSA-N
-rxn:5:178466:223061:225806,CC(C)OC(=O)c1sc2cc(-c3cc(C4CCNCC4)ncc3F)ccc2c1-c1cnc(OC2CCCC2)cc1F,DNYJUIFNEJGFES-UHFFFAOYSA-N
-rxn:5:178466:223061:225880,CC(C)OC(=O)c1sc2cc(-c3cc(C4CCNCC4)ncc3F)ccc2c1-c1cc(C2CCOCC2)ncc1F,JGJXOGZAKVZAIN-UHFFFAOYSA-N
-rxn:5:178466:223062:222980,CC(C)OC(=O)c1sc2cc(-c3cnc(C4CCNCC4)cc3F)ccc2c1-c1ccc(CN2CCNCC2)cc1,KVMJHRQVFAUMRD-UHFFFAOYSA-N
-rxn:5:178466:223062:223062,CC(C)OC(=O)c1sc2cc(-c3cnc(C4CCNCC4)cc3F)ccc2c1-c1cnc(C2CCNCC2)cc1F,DCOZPTWIQRXOPM-UHFFFAOYSA-N
-rxn:5:178466:223062:225601,CC(C)OC(=O)c1sc2cc(-c3cnc(C4CCNCC4)cc3F)ccc2c1-c1ccc(C2(C#N)CCC2)cc1F,PSWLBSCZKLXHFM-UHFFFAOYSA-N
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-rxn:5:178466:223064:225980,CC(C)OC(=O)c1sc2cc(-c3ccc(C4CCNCC4)nc3F)ccc2c1-c1cc(N2CCOCC2)ncc1F,ITKZIPZQCVDRES-UHFFFAOYSA-N
-rxn:5:178466:223065:225833,CC(C)OC(=O)c1sc2cc(-c3ccc(N4CCNCC4)cc3F)ccc2c1-c1ccnc(N2CCCCC2)c1F,CFUCFHGLJGOFDA-UHFFFAOYSA-N
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-rxn:5:181907:225653:226686,Cc1cc(-c2ccc(N3CCCCC3C)nc2)c(-c2c(C)cnn2C2CCCCO2)c(C2OCCO2)c1,PKVIHVVLJONCCA-UHFFFAOYSA-N
-rxn:5:181907:226330:225684,Cc1cc(-c2ccc(C(C)N3CCCC3)s2)c(-c2ccc(C3CCOCC3)nc2C)c(C2OCCO2)c1,KCOKEMONYBOGFT-UHFFFAOYSA-N
-rxn:5:181908:225453:225656,Cc1cc(-c2cccc(SC3CCCCC3)c2)c(-c2cncc(N3CCCCC3C)c2)cc1C1OCCO1,RCRFERNNYYAXQX-UHFFFAOYSA-N
-rxn:5:181908:225466:225656,Cc1cc(-c2ccc(N3CCCCC3C)cc2)c(-c2cncc(N3CCCCC3C)c2)cc1C1OCCO1,DZOSMYKQEOSCEN-UHFFFAOYSA-N
-rxn:5:181908:225514:225641,Cc1cc(-c2cccc3c2OCC2(CC2)CO3)c(-c2ccnc(N3CCCC(C)C3)c2)cc1C1OCCO1,PKFFTSITJVSWAP-UHFFFAOYSA-N
-rxn:5:181908:225607:227611,Cc1cc(-c2ccc(C(C)N3CCCCC3)s2)c(-c2ccnn2C2CCCCO2)cc1C1OCCO1,MKJXSNKYAIUNCE-UHFFFAOYSA-N
-rxn:5:181908:225653:225466,Cc1cc(-c2ccc(N3CCCCC3C)nc2)c(-c2ccc(N3CCCCC3C)cc2)cc1C1OCCO1,AKGSOEIEZGMYNZ-UHFFFAOYSA-N
-rxn:5:181908:225805:226174,Cc1cc(-c2ccc(C(C)N3CCOCC3)s2)c(-c2ccc(C3CCCCC3)nc2)cc1C1OCCO1,HHJVJXMNRIIXRO-UHFFFAOYSA-N
-rxn:5:181908:225831:225677,Cc1cc(-c2cnc(N3CCOCC3)c(C)c2)c(-c2ccc(C3CCCCC3)nc2F)cc1C1OCCO1,KOSBGOGHGGJJHY-UHFFFAOYSA-N
-rxn:5:181908:226059:225832,Cc1cc(-c2ccc(C(C)C)cc2C(C)C)c(-c2c(C)nn(C3CCCCO3)c2C)cc1C1OCCO1,ZOIBZGSUYPZTPD-UHFFFAOYSA-N
-rxn:5:181908:226428:222996,Cc1cc(-c2cc(N3CCCCC3C)cs2)c(-c2ccc(F)cc2C2CCCNC2)cc1C1OCCO1,KWKKVQDPVYZAFE-UHFFFAOYSA-N
-rxn:5:182009:225832:223148,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2ccccc2C2CNCCO2)cc1C1CCOCC1,KIFDCWVBOVHERO-UHFFFAOYSA-N
-rxn:5:182010:225832:226176,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2ccncc2C2CCCCC2)ccc1C1CCOCC1,FTJHSKYSXJAGIY-UHFFFAOYSA-N
-rxn:5:182011:226685:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(C2CCOCC2)ccc1-c1cnc(C2CCOCC2)nc1,HJXVVMFQHXUHIL-UHFFFAOYSA-N
-rxn:5:182012:225470:222959,Cc1cc(-c2ccc(-c3ccc(N4CCC(C)CC4)cc3)cc2C2CCCOC2)ccc1C1CCNCC1,CCJAMVCGTJFIMI-UHFFFAOYSA-N
-rxn:5:182012:225677:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(-c2ccc(C3CCCCC3)nc2F)cc1C1CCCOC1,QDDYFRHOPVYLTI-UHFFFAOYSA-N
-rxn:5:182012:226686:225641,Cc1cnn(C2CCCCO2)c1-c1ccc(-c2ccnc(N3CCCC(C)C3)c2)c(C2CCCOC2)c1,HVQILWIMRMWNNK-UHFFFAOYSA-N
-rxn:5:182013:225784:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(-c2ccc(CN3CCOCC3)nc2)cc1C1CCOCC1,IFJUXWZHMBFTIU-UHFFFAOYSA-N
-rxn:5:188867:225601:223058,CC(C)OC(=O)c1cc(-c2cc(F)nc(C3CCCNC3)c2)ncc1-c1ccc(C2(C#N)CCC2)cc1F,CASMSMOHOGFWLE-UHFFFAOYSA-N
-rxn:5:188867:225602:223058,CC(C)OC(=O)c1cc(-c2cc(F)nc(C3CCCNC3)c2)ncc1-c1cc(C2(C#N)CCC2)ccc1F,MVIHDWNCZOZSMR-UHFFFAOYSA-N
-rxn:5:188867:225602:223063,CC(C)OC(=O)c1cc(-c2cc(F)nc(C3CCNCC3)c2)ncc1-c1cc(C2(C#N)CCC2)ccc1F,UNWDIEKEQPYRNW-UHFFFAOYSA-N
-rxn:5:188867:225603:223063,CC(C)OC(=O)c1cc(-c2cc(F)nc(C3CCNCC3)c2)ncc1-c1cccc(C2(C#N)CCC2)c1F,OYZXWMRIFMJNTI-UHFFFAOYSA-N
-rxn:5:188867:225976:225784,CC(C)OC(=O)c1cc(-c2ccc(CN3CCOCC3)nc2)ncc1-c1ccnc(N2CCOCC2)c1F,WLUYHIRJLRBETH-UHFFFAOYSA-N
-rxn:5:188868:223062:225440,CC(C)OC(=O)c1ccnc(-c2ccc(C3(C#N)CCCC3)cc2)c1-c1cnc(C2CCNCC2)cc1F,FQIWVPXGLMDASI-UHFFFAOYSA-N
-rxn:5:188868:225589:223061,CC(C)OC(=O)c1ccnc(-c2cc(C3CCNCC3)ncc2F)c1-c1ccc(CN2CCSCC2)cc1,UBMOQBJSDJXCPE-UHFFFAOYSA-N
-rxn:5:188868:225589:223062,CC(C)OC(=O)c1ccnc(-c2cnc(C3CCNCC3)cc2F)c1-c1ccc(CN2CCSCC2)cc1,HBMYOTMXBYYIRP-UHFFFAOYSA-N
-rxn:5:188868:225598:223062,CC(C)OC(=O)c1ccnc(-c2cnc(C3CCNCC3)cc2F)c1-c1cccc(CN2CCSCC2)c1,SKEAGGBNDRRMRM-UHFFFAOYSA-N
-rxn:5:188868:225601:223063,CC(C)OC(=O)c1ccnc(-c2cc(F)nc(C3CCNCC3)c2)c1-c1ccc(C2(C#N)CCC2)cc1F,KNLVCNSYLBMPGT-UHFFFAOYSA-N
-rxn:5:188868:226583:223062,CC(C)OC(=O)c1ccnc(-c2cnc(C3CCNCC3)cc2F)c1-c1ccc(CN2CCOCC2)s1,VZKMEUGMKCKFHX-UHFFFAOYSA-N
-rxn:5:188930:226177:226382,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccnc(C3CCCCC3)c2)cc1-c1cnc(C2CCCCC2)nc1,JFJKSGSSPYLTQD-UHFFFAOYSA-N
-rxn:5:188930:226179:226382,COC(=O)c1cc(S(N)(=O)=O)c(-c2cncc(C3CCCCC3)c2)cc1-c1cnc(C2CCCCC2)nc1,BKGHCPFWLNHSSM-UHFFFAOYSA-N
-rxn:5:188930:226330:223240,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccc(C(C)N3CCCC3)s2)cc1-c1ccc(C2CCNC2)nc1,COTMWCGVFUNDOO-UHFFFAOYSA-N
-rxn:5:188930:226382:225677,COC(=O)c1cc(S(N)(=O)=O)c(-c2cnc(C3CCCCC3)nc2)cc1-c1ccc(C2CCCCC2)nc1F,UXPWQTQCOFYKBT-UHFFFAOYSA-N
-rxn:5:188932:225623:226665,COC(=O)c1cc(-c2cnc(C3CCCOC3)nc2)c(S(N)(=O)=O)c(-c2cccc(OC3CCOCC3)c2)c1,ROKAPLWCTNIHHF-UHFFFAOYSA-N
-rxn:5:188932:226649:226645,COC(=O)c1cc(-c2ccnc(N3CCOCC3)c2)c(S(N)(=O)=O)c(-c2cccnc2N2CCOCC2)c1,KBHJVKUFMMYJMZ-UHFFFAOYSA-N
-rxn:5:189001:223006:225601,COC(=O)C1(c2nc(-c3ccc(C4(C#N)CCC4)cc3F)ccc2-c2ccc(F)c(C3CCNCC3)c2)CC1,KVOPQJMECFDBAO-UHFFFAOYSA-N
-rxn:5:189001:223007:226331,COC(=O)C1(c2nc(-c3ccc(C4(C#N)CC4)cc3F)ccc2-c2cc(F)cc(C3CCNCC3)c2)CC1,VDILUUWSFZITPC-UHFFFAOYSA-N
-rxn:5:189001:223062:225603,COC(=O)C1(c2nc(-c3cccc(C4(C#N)CCC4)c3F)ccc2-c2cnc(C3CCNCC3)cc2F)CC1,LVXXNLFQSDNYOP-UHFFFAOYSA-N
-rxn:5:189001:223065:223008,COC(=O)C1(c2nc(-c3cc(C4CCNCC4)ccc3F)ccc2-c2ccc(N3CCNCC3)cc2F)CC1,MVXBTEIGYXPKPV-UHFFFAOYSA-N
-rxn:5:189001:223065:226331,COC(=O)C1(c2nc(-c3ccc(C4(C#N)CC4)cc3F)ccc2-c2ccc(N3CCNCC3)cc2F)CC1,BZAANJUKCARDCC-UHFFFAOYSA-N
-rxn:5:189001:223132:225601,COC(=O)C1(c2nc(-c3ccc(C4(C#N)CCC4)cc3F)ccc2-c2cccc(N3CCNCC3)c2)CC1,WCMSEFRSPTZOOC-UHFFFAOYSA-N
-rxn:5:189001:223138:225601,COC(=O)C1(c2nc(-c3ccc(C4(C#N)CCC4)cc3F)ccc2-c2ccnc(C3CCNCC3)c2)CC1,GWXUOVYEKNRAHD-UHFFFAOYSA-N
-rxn:5:189001:225601:223006,COC(=O)C1(c2nc(-c3ccc(F)c(C4CCNCC4)c3)ccc2-c2ccc(C3(C#N)CCC3)cc2F)CC1,GRXJPVQYAVQDGY-UHFFFAOYSA-N
-rxn:5:189001:225602:223006,COC(=O)C1(c2nc(-c3ccc(F)c(C4CCNCC4)c3)ccc2-c2cc(C3(C#N)CCC3)ccc2F)CC1,ONUWBVPPKXNMHU-UHFFFAOYSA-N
-rxn:5:189001:225602:223062,COC(=O)C1(c2nc(-c3cnc(C4CCNCC4)cc3F)ccc2-c2cc(C3(C#N)CCC3)ccc2F)CC1,WLEKPNPHKUDYPL-UHFFFAOYSA-N
-rxn:5:189001:225603:223006,COC(=O)C1(c2nc(-c3ccc(F)c(C4CCNCC4)c3)ccc2-c2cccc(C3(C#N)CCC3)c2F)CC1,HWGJXHHEGNRCEQ-UHFFFAOYSA-N
-rxn:5:189001:225603:223062,COC(=O)C1(c2nc(-c3cnc(C4CCNCC4)cc3F)ccc2-c2cccc(C3(C#N)CCC3)c2F)CC1,QZFROQLEYFMWPV-UHFFFAOYSA-N
-rxn:5:189001:225603:223138,COC(=O)C1(c2nc(-c3ccnc(C4CCNCC4)c3)ccc2-c2cccc(C3(C#N)CCC3)c2F)CC1,XTNZGQPSVSSITM-UHFFFAOYSA-N
-rxn:5:189001:225603:223294,COC(=O)C1(c2nc(-c3csc(N4CCNCC4)n3)ccc2-c2cccc(C3(C#N)CCC3)c2F)CC1,XVJMUBAEOBGYKA-UHFFFAOYSA-N
-rxn:5:189001:226326:223006,COC(=O)C1(c2nc(-c3ccc(F)c(C4CCNCC4)c3)ccc2-c2cccc(C3(C#N)CC3)c2F)CC1,RHSKVVBBKKOBBM-UHFFFAOYSA-N
-rxn:5:189001:226331:223062,COC(=O)C1(c2nc(-c3cnc(C4CCNCC4)cc3F)ccc2-c2ccc(C3(C#N)CC3)cc2F)CC1,KJUWGFNVWKUUDX-UHFFFAOYSA-N
-rxn:5:189001:226331:223065,COC(=O)C1(c2nc(-c3ccc(N4CCNCC4)cc3F)ccc2-c2ccc(C3(C#N)CC3)cc2F)CC1,FINCIZKYCZFGOA-UHFFFAOYSA-N
-rxn:5:189212:225439:225623,CC(c1cccc(-c2cc(C(=O)ON3C(=O)CCC3=O)ccc2-c2cccc(OC3CCOCC3)c2)c1)N1CCCC1,LKRGDTIJHYDDRM-UHFFFAOYSA-N
-rxn:5:189212:227075:225939,COc1cc(-c2cc(C(=O)ON3C(=O)CCC3=O)ccc2-c2cnc(C(F)(F)F)c(C(C)C)c2)cc(C(C)C)c1,OSUCPATVTOHEPC-UHFFFAOYSA-N
-rxn:5:189319:225447:225450,CC(C)(C)OC(=O)c1nc(-c2ccc(C(=O)C3CCCC3)cc2)ccc1-c1ccc(OC2CCCCC2)cc1,OTYLQLLZRKWOIC-UHFFFAOYSA-N
-rxn:5:189319:225466:226062,CC(C)c1cc(-c2ccc(-c3ccc(N4CCCCC4C)cc3)c(C(=O)OC(C)(C)C)n2)cc(C(C)C)c1,KSSXJTLBJOHDBA-UHFFFAOYSA-N
-rxn:5:189448:227278:223065,COC1CN(C(=O)c2ccc(-c3ccc(C4(C#N)CC4)nc3)c(-c3ccc(N4CCNCC4)cc3F)c2)C1,SZKAOYXWMGIDRQ-UHFFFAOYSA-N
-rxn:5:189540:225453:226215,CO/N=C1\CCc2cc(-c3ccc(-c4cccc(SC5CCCCC5)c4)cc3CN3CC(OC)C3)ccc21,IVHJNLHLPAPZOK-JEIPZWNWSA-N
-rxn:5:189665:226185:227119,c1cc(C2CCOCC2)ccc1-c1cnc(OCC2CCOCC2)c(-c2cc(C3CCCCC3)cs2)c1,XUVRVOIGRSRQEI-UHFFFAOYSA-N
-rxn:5:189666:226069:225499,CC(C)(C)[S@@](=O)/N=C/c1ccc(-c2ccc(C3CCCCC3)cc2F)c(-c2cccc(C3CCCCC3)c2)c1,MTDGHGGZDUZLON-UIAWUEOJSA-N
-rxn:5:189666:226915:225407,CC(C)(C)[S@@](=O)/N=C/c1ccc(-c2ccc(C3CCCCCC3)cc2)c(-c2ccc(C3CCCC3)cc2)c1,SUHQQYGNCVVJEO-WHSVXRIHSA-N
-rxn:5:189673:226067:226067,CC(C)(C)S(=O)/N=C/c1ccc(-c2ccc(C3=CCCCC3)cc2)cc1-c1ccc(C2=CCCCC2)cc1,OQTSYMDWOGXPRJ-YRRMYEEHSA-N
-rxn:5:189676:225976:223294,O=C(Cc1ccc(-c2csc(N3CCNCC3)n2)c(-c2ccnc(N3CCOCC3)c2F)c1)N1CCCC1,HJWPGLBXMMPFRL-UHFFFAOYSA-N
-rxn:5:189829:225453:228155,COc1ccc(-c2cc(C(=O)N3CCCC3)cc(-c3cccc(SC4CCCCC4)c3)c2OC)cc1OC,VPBTXVWJPCSCRT-UHFFFAOYSA-N
-rxn:5:189829:227684:227588,COc1cc(F)cc(OC)c1-c1cc(C(=O)N2CCCC2)cc(-c2cnn(CC3OCCO3)c2)c1OC,IALSJEOFVNLQGZ-UHFFFAOYSA-N
-rxn:5:189829:227711:225814,COc1c(-c2cccc(C3(C(F)(F)F)CC3)c2)cc(C(=O)N2CCCC2)cc1-c1ccc(F)c(OC(F)F)c1,BWCYEBWVZXTWGK-UHFFFAOYSA-N
-rxn:5:189909:226794:225982,Fc1cc(N2CCOCC2)ncc1-c1ccc(-c2cnc(N3CCSCC3)nc2)c(CCN2CCOCC2)c1,KOEZPWQZKQOHDE-UHFFFAOYSA-N
-rxn:5:189910:227379:225980,Fc1cnc(N2CCOCC2)cc1-c1ccc(-c2cccnc2N2CCCC2)cc1CCN1CCOCC1,HOQPMTQZSMKJQQ-UHFFFAOYSA-N
-rxn:5:190000:225499:227348,COc1ccc(-c2ccc(CC(=O)N3CCCCC3)c(-c3ccc(C4CCCCC4)cc3F)c2)c(C)c1OC,MOQNXTIQBMZYIT-UHFFFAOYSA-N
-rxn:5:190000:225886:225438,CC(c1ccc(-c2ccc(CC(=O)N3CCCCC3)c(-c3ccc4c(ccn4S(C)(=O)=O)c3)c2)cc1)N1CCCC1,PGCVZIZJVRVHFM-UHFFFAOYSA-N
-rxn:5:190000:227349:226150,COc1cc(C)cc(-c2cc(-c3cccc(SC4CCCC4)c3)ccc2CC(=O)N2CCCCC2)c1OC,UNRWSRYAXBBLQF-UHFFFAOYSA-N
-rxn:5:190000:227364:225453,COc1ccc(-c2cc(-c3cccc(SC4CCCCC4)c3)ccc2CC(=O)N2CCCCC2)c(OC)c1C,GZZDERGSZQLDGK-UHFFFAOYSA-N
-rxn:5:190000:227562:226067,COc1ccc(F)c(-c2cc(-c3ccc(C4=CCCCC4)cc3)ccc2CC(=O)N2CCCCC2)c1OC,PDNGZEWFZHOVBW-UHFFFAOYSA-N
-rxn:5:190001:225453:227052,CC(C)(C)Sc1ccc(-c2ccc(CC(=O)N3CCCCC3)cc2-c2cccc(SC3CCCCC3)c2)cc1,RYOWQXUEDDOOGN-UHFFFAOYSA-N
-rxn:5:190097:227592:225453,COc1cc(F)cc(-c2ccc(-c3cccc(SC4CCCCC4)c3)c(CCN3CCCCC3)c2)c1OC,AWOKVEMZHXIIPZ-UHFFFAOYSA-N
-rxn:5:190127:226150:227592,COc1cc(F)cc(-c2ccc(-c3cccc(SC4CCCC4)c3)cc2C(=O)N2CCC(OC)CC2)c1OC,RDVZIQBHOPSBGW-UHFFFAOYSA-N
-rxn:5:190127:228558:225407,CCSc1cccc(-c2ccc(-c3ccc(C4CCCCCC4)cc3)c(C(=O)N3CCC(OC)CC3)c2)c1,IKANGWXQEUFUBR-UHFFFAOYSA-N
-rxn:5:190128:225451:227922,CCc1cc(OC)ccc1-c1cc(C(=O)N2CCC(OC)CC2)ccc1-c1ccc(SC2CCCCC2)cc1,BSJFPYIHTSVKSM-UHFFFAOYSA-N
-rxn:5:190131:225821:228710,COc1c(-c2cnc(C(C)C)nc2)cc(C(=O)N2CCCCC2)cc1-c1ccc(C2CC2)c(C(F)(F)F)c1,DZHJVTKKQNMQEM-UHFFFAOYSA-N
-rxn:5:190131:226190:227922,CCc1cc(OC)ccc1-c1cc(C(=O)N2CCCCC2)cc(-c2ccc(C3CCCC3)cc2F)c1OC,MIGCHYLTWLCNOM-UHFFFAOYSA-N
-rxn:5:190132:222417:226571,COC1CCN(C(=O)c2ccc(-c3cnc(=O)[nH]c3C(C)C)cc2-c2cnn(CC3CCOCC3)c2)CC1,STFOXKJNSREYHR-UHFFFAOYSA-N
-rxn:5:190132:225407:227592,COc1cc(F)cc(-c2cc(-c3ccc(C4CCCCCC4)cc3)ccc2C(=O)N2CCC(OC)CC2)c1OC,DLOZROTUSUNICZ-UHFFFAOYSA-N
-rxn:5:190194:227059:226150,COc1ccc(-c2cccc(CN3CCC(OC)CC3)c2-c2cccc(SC3CCCC3)c2)cc1C(C)C,FCPADIKOYRLGMK-UHFFFAOYSA-N
-rxn:5:190194:227348:226189,COc1ccc(-c2cccc(CN3CCC(OC)CC3)c2-c2ccc(C3CCCC3)c(F)c2)c(C)c1OC,NYQKEAADFUHMOH-UHFFFAOYSA-N
-rxn:5:190195:223056:223113,CN(Cc1ccc(-c2ccc(N3CCC(O)CC3)nc2)c(-c2ccc3c(c2)C(C)(C)C(=O)N3)c1)C1CCOCC1,SETTWTWCNJHMDG-UHFFFAOYSA-N
-rxn:5:190196:223061:223113,CN(Cc1ccc(-c2cc(C3CCNCC3)ncc2F)cc1-c1ccc2c(c1)C(C)(C)C(=O)N2)C1CCOCC1,LHNBRYINBJYWHF-UHFFFAOYSA-N
-rxn:5:190196:226645:223113,CN(Cc1ccc(-c2ccnc(N3CCOCC3)c2)cc1-c1ccc2c(c1)C(C)(C)C(=O)N2)C1CCOCC1,DFHWLRXGKZSZJS-UHFFFAOYSA-N
-rxn:5:190197:225978:222417,CC(C)c1[nH]c(=O)ncc1-c1ccc(CN(C)C2CCOCC2)c(-c2ccc(N3CCOCC3)nc2F)c1,OPQKHEDCWZDIHY-UHFFFAOYSA-N
-rxn:5:190199:227684:223113,CN(Cc1cc(-c2ccc3c(c2)C(C)(C)C(=O)N3)ccc1-c1cnn(CC2OCCO2)c1)C1CCOCC1,MJBUGYNJAMJPAU-UHFFFAOYSA-N
-rxn:5:190199:228148:225499,COc1cccc(-c2ccc(-c3ccc(C4CCCCC4)cc3F)cc2CN(C)C2CCOCC2)c1OC,BEFXJDVANZDPGW-UHFFFAOYSA-N
-rxn:5:190201:226924:226422,Cc1cc(-c2ccc(-c3cc(F)ccc3N3CCCC3)c(CCN3CCOC(C)C3)c2)c(C)c(C2CC2)c1,LNLQSVBTVRAEHX-UHFFFAOYSA-N
-rxn:5:190201:227979:225591,COc1cc(C)cc(C)c1-c1ccc(-c2cc(CN3CCCC3)ccc2F)c(CCN2CCOC(C)C2)c1,DXBHPWXSRJVXBB-UHFFFAOYSA-N
-rxn:5:190231:225818:228126,COc1ccc(-c2cc(C(=O)N3CCOC(C)C3)cc(-c3ccc(C(F)(F)F)cc3C3CC3)c2OC)c(C#N)c1,VOXGYNZAWOWRRR-UHFFFAOYSA-N
-rxn:5:190231:227379:226664,COc1c(-c2cc(N3CCCC3)ncc2F)cc(C(=O)N2CCOC(C)C2)cc1-c1cccnc1N1CCCC1,LNPXIIQDHABFPW-UHFFFAOYSA-N
-rxn:5:190264:225451:228616,CSc1ccc(-c2ccc(CC(=O)N3CCC(C)CC3)cc2-c2ccc(SC3CCCCC3)cc2)c(C)c1,AVOJHRAITPJOLN-UHFFFAOYSA-N
-rxn:5:190264:228620:225453,CSc1ccc(-c2cc(CC(=O)N3CCC(C)CC3)ccc2-c2cccc(SC3CCCCC3)c2)cc1C,OBRVLFZOQFZMME-UHFFFAOYSA-N
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-rxn:5:190265:228497:227660,Cc1ccc(C(F)(F)F)cc1-c1ccc(CC(=O)N2CCCC(C)C2)cc1-c1ccnn1CC(F)(F)F,QNQGITKDJWNFRX-UHFFFAOYSA-N
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-rxn:5:190484:223421:227102,CNC(C)c1ccc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4cc(C(C)(C)C)ccc4F)S(=O)(=O)CC3)c2)s1,JMZMIPQZZZLCAS-UHFFFAOYSA-N
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-rxn:5:190589:223054:225833,CCOC(=O)c1[nH]c2cccc(-c3ccnc(N4CCCCC4)c3F)c2c1-c1ccc(C(C)N2CCC(O)C2)s1,NSWVPOKKVDJENC-UHFFFAOYSA-N
-rxn:5:190589:225607:225808,CCOC(=O)c1[nH]c2cccc(-c3cc(OC4CCCC4)ncc3F)c2c1-c1ccc(C(C)N2CCCCC2)s1,XJWUDWDBIYHERF-UHFFFAOYSA-N
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-rxn:5:190741:223056:225870,CCOC(=O)c1cnc2c(-c3ccc(N4CCC(O)CC4)nc3)cc(C)cc2c1-c1cc(F)cc(N2CCOCC2)c1,MMNYVRSQGKGRQD-UHFFFAOYSA-N
-rxn:5:190741:223064:223062,CCOC(=O)c1cnc2c(-c3ccc(C4CCNCC4)nc3F)cc(C)cc2c1-c1cnc(C2CCNCC2)cc1F,SIATXXYUAIVWSM-UHFFFAOYSA-N
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-rxn:5:190741:225656:225834,CCOC(=O)c1cnc2c(-c3cncc(N4CCCCC4C)c3)cc(C)cc2c1-c1cc(N2CCCCC2)ncc1F,WEAUJIDMJJBFMP-UHFFFAOYSA-N
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-rxn:5:190741:225849:222994,CCOC(=O)c1cnc2c(-c3cnc(N4CCCCC4)cc3F)cc(C)cc2c1-c1cccc(N2CCC(O)CC2)c1,ALOFERATULTTPY-UHFFFAOYSA-N
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-rxn:5:190742:223000:225639,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(C4CCCNC4)c(F)c3)c2c1-c1cccnc1N1CCC(C)CC1,WYVBPJMKYCBHAN-UHFFFAOYSA-N
-rxn:5:190742:223001:225639,CCOC(=O)c1cnc2c(C)ccc(-c3cc(C4CCCNC4)ccc3F)c2c1-c1cccnc1N1CCC(C)CC1,FKBOVSKVQVMPEH-UHFFFAOYSA-N
-rxn:5:190742:223056:223056,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(N4CCC(O)CC4)nc3)c2c1-c1ccc(N2CCC(O)CC2)nc1,DLTWKYUWICQAFN-UHFFFAOYSA-N
-rxn:5:190742:223056:225592,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(N4CCC(O)CC4)nc3)c2c1-c1cc(F)ccc1CN1CCCC1,JQMSUWDYABKNJK-UHFFFAOYSA-N
-rxn:5:190742:223056:225593,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(N4CCC(O)CC4)nc3)c2c1-c1cc(F)cc(CN2CCCC2)c1,SWYSPACSQMHCBI-UHFFFAOYSA-N
-rxn:5:190742:223056:225594,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(N4CCC(O)CC4)nc3)c2c1-c1ccc(F)cc1CN1CCCC1,GZAAQXOVRWNAHP-UHFFFAOYSA-N
-rxn:5:190742:223058:225438,CCOC(=O)c1cnc2c(C)ccc(-c3cc(F)nc(C4CCCNC4)c3)c2c1-c1ccc(C(C)N2CCCC2)cc1,LAOWJYPZWITNAP-UHFFFAOYSA-N
-rxn:5:190742:225602:225794,CCOC(=O)c1cnc2c(C)ccc(-c3cc(C4(C#N)CCC4)ccc3F)c2c1-c1cnc(OC2CCCCC2)nc1,SVLFFGBGFKDFCK-UHFFFAOYSA-N
-rxn:5:190742:225636:225592,CCOC(=O)c1cnc2c(C)ccc(-c3ccnc(N4CCC(C)CC4)c3)c2c1-c1cc(F)ccc1CN1CCCC1,BLJJHUVFTHWTGL-UHFFFAOYSA-N
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-rxn:5:190742:225655:225677,CCOC(=O)c1cnc2c(C)ccc(-c3cncc(N4CCC(C)CC4)c3)c2c1-c1ccc(C2CCCCC2)nc1F,MZEGTCRSJUKWMB-UHFFFAOYSA-N
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-rxn:5:190742:225672:225655,CCOC(=O)c1cnc2c(C)ccc(-c3cc(F)nc(C4CCCCC4)c3)c2c1-c1cncc(N2CCC(C)CC2)c1,MQYANLCBZYMRGF-UHFFFAOYSA-N
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-rxn:5:190742:225833:222995,CCOC(=O)c1cnc2c(C)ccc(-c3ccnc(N4CCCCC4)c3F)c2c1-c1cccc(N2CCCC(O)C2)c1,ORFWJZWEKXSXMD-UHFFFAOYSA-N
-rxn:5:190742:225849:222991,CCOC(=O)c1cnc2c(C)ccc(-c3cnc(N4CCCCC4)cc3F)c2c1-c1ccc(N2CCCC(O)C2)cc1,GMDZTNIHRUJAAP-UHFFFAOYSA-N
-rxn:5:190742:225872:225639,CCOC(=O)c1cnc2c(C)ccc(-c3cc(F)c(F)c(N4CCCC4)c3)c2c1-c1cccnc1N1CCC(C)CC1,BFSOWRUMNFFNKH-UHFFFAOYSA-N
-rxn:5:190742:226571:223062,CCOC(=O)c1cnc2c(C)ccc(-c3cnn(CC4CCOCC4)c3)c2c1-c1cnc(C2CCNCC2)cc1F,XNLGXKVYQQLWIZ-UHFFFAOYSA-N
-rxn:5:190743:223001:225639,CCOC(=O)c1cnc2c(C)c(-c3cc(C4CCCNC4)ccc3F)ccc2c1-c1cccnc1N1CCC(C)CC1,ZKWUAHNCPPMUMC-UHFFFAOYSA-N
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-rxn:5:190832:223056:225833,CCOC(=O)c1cnc2cc(C)c(-c3ccc(N4CCC(O)CC4)nc3)c(C)c2c1-c1ccnc(N2CCCCC2)c1F,WJYFMDHFUVHPAK-UHFFFAOYSA-N
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-rxn:5:191026:228560:226064,CCSc1ccccc1-c1ccc2c(c1)N(c1ccc(C)c(-c3ccc(C4CCCCC4)cc3)c1)C=C(C(=O)OC)S2(=O)=O,FKNIVOFIIZXRJW-UHFFFAOYSA-N
-rxn:5:191049:223065:223065,COc1cc(N2Cc3cc(-c4ccc(N5CCNCC5)cc4F)ccc3OCC2=O)c(OC)cc1-c1ccc(N2CCNCC2)cc1F,WIMVWFADDHVCBB-UHFFFAOYSA-N
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-rxn:5:191049:226913:227052,CCc1cc(-c2ccc3c(c2)CN(c2cc(OC)c(-c4ccc(SC(C)(C)C)cc4)cc2OC)C(=O)CO3)cc(C2CC2)c1,YDOPVLKQKXYMGS-UHFFFAOYSA-N
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-rxn:5:193756:225653:225808,CC1CCCCN1C(=O)c1ccc(-c2ccc(N3CCCCC3C)nc2)cc1-c1cc(OC2CCCC2)ncc1F,PPESXDOKMBSFDH-UHFFFAOYSA-N
-rxn:5:193756:226663:225803,CC1CCCCN1C(=O)c1ccc(-c2ccc(N3CCSCC3)nc2)cc1-c1ccnc(OC2CCOCC2)c1,SZHOTMLJQGJDRL-UHFFFAOYSA-N
-rxn:5:193756:226746:226744,CCc1cnc(C(F)(F)F)cc1-c1ccc(C(=O)N2CCCCC2C)c(-c2cnc(C(F)(F)F)c(CC)c2)c1,QLUMTGFLHZKVTF-UHFFFAOYSA-N
-rxn:5:193756:227025:226664,CCc1ncc(C2CC2)cc1-c1ccc(C(=O)N2CCCCC2C)c(-c2cc(N3CCCC3)ncc2F)c1,FGGBZWHXIUFAHM-UHFFFAOYSA-N
-rxn:5:193756:227960:225592,CC1CCCCN1C(=O)c1ccc(-c2ccncc2C2CCC2)cc1-c1cc(F)ccc1CN1CCCC1,RIPKSGZAMFCRQV-UHFFFAOYSA-N
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-rxn:5:193808:226794:226763,COC(=O)c1c(F)cc(-c2ccc(-c3cnc(N4CCSCC4)nc3)cc2CN2CCC(C)CC2)cc1F,NMPBVWPRDBNEHJ-UHFFFAOYSA-N
-rxn:5:193808:227769:225941,COc1ncc([N+](=O)[O-])cc1-c1ccc(-c2cnc(C3CC3)c(C(F)(F)F)c2)c(CN2CCC(C)CC2)c1,ORGVEFHUZNHIQZ-UHFFFAOYSA-N
-rxn:5:193809:226686:227438,Cc1cnn(C2CCCCO2)c1-c1ccc(CN2CCC(C)CC2)c(-c2ccnc(C3CCOC3)c2)c1,QGGCKGPXMUSIDX-UHFFFAOYSA-N
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-rxn:5:193866:226709:225886,Cc1cc(C(F)(F)F)cc(C)c1-c1ccc(C2(N3CCC(=O)CC3)CC2)cc1-c1ccc2c(ccn2S(C)(=O)=O)c1,NJFNXOBNQNKROT-UHFFFAOYSA-N
-rxn:5:193866:228598:226026,COc1ccc(C)cc1-c1ccc(C2(N3CCC(=O)CC3)CC2)cc1-c1ccc(S(=O)(=O)N(C)C)c(F)c1,GZEWRQKUQLZBIA-UHFFFAOYSA-N
-rxn:5:193866:228616:225453,CSc1ccc(-c2ccc(C3(N4CCC(=O)CC4)CC3)cc2-c2cccc(SC3CCCCC3)c2)c(C)c1,YWNKCRLQBYNFRS-UHFFFAOYSA-N
-rxn:5:193867:226919:227052,CC(C)(C)Sc1ccc(-c2cc(-c3cccc(C4CCCC4)c3)cc(C3(N4CCC(=O)CC4)CC3)c2)cc1,JDPZFIULUNVDMO-UHFFFAOYSA-N
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-rxn:5:193869:227724:226973,Cc1cc(-c2cc(OC(F)F)ccc2F)c(S(=O)(=O)N2CCCCC2)cc1-c1ccc2c(c1)C(C)(C)CO2,WJRMBDPXSUVQHP-UHFFFAOYSA-N
-rxn:5:193870:223148:223311,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cccc(C3CNC3)c2)cc1-c1ccccc1C1CNCCO1,DFPUCBOOUFQYSY-UHFFFAOYSA-N
-rxn:5:193870:225597:228711,Cc1cnc(C#N)c(-c2cc(-c3ccc(OC4CCCCC4)nc3)c(C)cc2S(=O)(=O)N2CCCCC2)c1,VNYNGPVAEFJBTR-UHFFFAOYSA-N
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-rxn:5:193870:226182:228108,CCc1ncc(C#N)cc1-c1cc(-c2cccnc2C2CCCCC2)c(C)cc1S(=O)(=O)N1CCCCC1,IGZDHRKRIJTSTM-UHFFFAOYSA-N
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-rxn:5:193871:227063:227119,Cc1ccc(-c2cc(C(=O)N3CCC4(CC3)CC4)ccc2-c2cc(C3CCCCC3)cs2)c(OC(C)C)c1,CKAZNELKKZRVTB-UHFFFAOYSA-N
-rxn:5:193871:227745:226366,O=C(c1ccc(-c2ccnc(N3CCCCC3)c2)c(-c2ccc(C(F)(F)F)c(F)c2)c1)N1CCC2(CC1)CC2,XVUQLZDYBIDPDB-UHFFFAOYSA-N
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-rxn:5:193872:225470:226710,CC1CCN(c2ccc(-c3ccc(C(=O)N4CCC5(CC4)CC5)cc3-c3ccc(F)c([Si](C)(C)C)c3F)cc2)CC1,IJCGCTJTDQLWJG-UHFFFAOYSA-N
-rxn:5:193932:225886:226069,CC1CC(C)CN(C(=O)c2ccc(-c3cccc(C4CCCCC4)c3)c(-c3ccc4c(ccn4S(C)(=O)=O)c3)c2)C1,PBJCKHUZFHTOTM-UHFFFAOYSA-N
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-rxn:5:193968:227315:227296,CC(C)Cc1cc(F)c(-c2ccc(-c3ccc(OC4CCC4)nc3)c(CN3CCC4(CC3)OCCO4)c2)cn1,QWOPUNYLFROEQY-UHFFFAOYSA-N
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-rxn:5:193972:222988:229058,Cc1cc(-c2cc(C)c(-c3cccnc3C#N)cc2S(=O)(=O)N2CCCCCC2)cc(C2CCNCC2)n1,LDHUDZHESWGDCN-UHFFFAOYSA-N
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-rxn:5:193972:226794:228722,Cc1cc(-c2cnc(N3CCSCC3)nc2)c(S(=O)(=O)N2CCCCCC2)cc1-c1cncc(C#N)c1C,MTCRDFZURAYXFR-UHFFFAOYSA-N
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-rxn:5:193972:228791:226761,CSc1ccc(-c2cc(C)c(-c3ccc(SC)cc3C(F)(F)F)cc2S(=O)(=O)N2CCCCCC2)c(F)c1,OFYAJHIEKNNSPQ-UHFFFAOYSA-N
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-rxn:5:196408:226425:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(C2=NOCCO2)c(-c2ccc(N3CCCCC3C)s2)c1,QMPMCMNNBCXUCT-UHFFFAOYSA-N
-rxn:5:196794:225987:225806,O=C1COCCN1c1cc(-c2ccc(N3CCCS3(=O)=O)cc2)ccc1-c1cnc(OC2CCCC2)cc1F,XMPSZTXLHDVAQU-UHFFFAOYSA-N
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-rxn:5:196869:225832:226179,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(N2CCOCC2)c(-c2cncc(C3CCCCC3)c2)c1,JFHWUKUCQKQZDK-UHFFFAOYSA-N
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-rxn:5:196969:225832:223146,Cc1nn(C2CCCCO2)c(C)c1-c1cnc(C2CCCCC2)cc1-c1cccc(C2CNCCO2)c1,BZJAORPVORMHNB-UHFFFAOYSA-N
-rxn:5:196969:225832:226663,Cc1nn(C2CCCCO2)c(C)c1-c1cnc(C2CCCCC2)cc1-c1ccc(N2CCSCC2)nc1,GIJNLEMFCVLTNK-UHFFFAOYSA-N
-rxn:5:196970:225588:226686,Cc1cnn(C2CCCCO2)c1-c1nccc(C2CCCCC2)c1-c1ccccc1CN1CCSCC1,OJDXURRKBOODEK-UHFFFAOYSA-N
-rxn:5:196971:223064:223006,Fc1ccc(-c2cc(-c3ccc(C4CCNCC4)nc3F)ncc2C2CCCCC2)cc1C1CCNCC1,LPKIQXZUZQROMO-UHFFFAOYSA-N
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-rxn:5:197876:225498:228792,CSc1ccc(-c2cc3c(cc2-c2cc(C4CCCCC4)ccc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1F,PCOGJEPEKVXRDU-UHFFFAOYSA-N
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-rxn:5:197876:226180:223359,CNCc1ccc(-c2cc3c(cc2-c2cc(C)nc(C4CCCC4)c2)S(=O)(=O)N(C(C)(C)C)C3=O)cc1F,LPAJJEJBSWVHAO-UHFFFAOYSA-N
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-rxn:5:197876:226190:223358,CC(=O)Nc1ccc(-c2cc3c(cc2-c2ccc(C4CCCC4)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1,GPDZFPCLKBAYFZ-UHFFFAOYSA-N
-rxn:5:197876:227045:225679,CC(C)(C)Sc1cccc(-c2cc3c(cc2-c2ccc(N4CCCCC4)cc2F)C(=O)N(C(C)(C)C)S3(=O)=O)c1,QQRDHMQQCQKYND-UHFFFAOYSA-N
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-rxn:5:197876:227589:225407,Cc1cc(OC(F)F)cc(-c2cc3c(cc2-c2ccc(C4CCCCCC4)cc2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,PZTOITCVPWYNJK-UHFFFAOYSA-N
-rxn:5:197876:227673:226062,CC(C)c1cc(-c2cc3c(cc2-c2cccc(C(C)(F)F)c2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc(C(C)C)c1,DNNXDOQJGQVMRC-UHFFFAOYSA-N
-rxn:5:197876:227921:226150,COC(C)c1cccc(-c2cc3c(cc2-c2cccc(SC4CCCC4)c2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,ZFHZIRNAKFZLNU-UHFFFAOYSA-N
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-rxn:5:197876:228430:225437,CSc1cc(F)c(-c2cc3c(cc2-c2cccc(CN4CCCCC4)c2)C(=O)N(C(C)(C)C)S3(=O)=O)c(F)c1,LMLIQWRKRNHXEQ-UHFFFAOYSA-N
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-rxn:5:227940:178295:223271,CCc1cc(SC)cc(-c2ccc(-c3ccc(F)c(NC(C)=O)c3)cc2C2(C(=O)OC)CCC(=O)CC2)c1,YKEZSLCHMYVHBA-UHFFFAOYSA-N
-rxn:5:227982:178295:227076,CCC(C)c1ccc(F)c(-c2ccc(-c3cc(C)cc(OC)c3C)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,VSUTYPMDZIQNFL-UHFFFAOYSA-N
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-rxn:4:173704:225466,COc1cccc2c(-c3ccc(N4CCCCC4C)cc3)ccc(O[Si](C(C)C)(C(C)C)C(C)C)c12,IHXIFQDTLHLNII-UHFFFAOYSA-N
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-rxn:4:173905:223695,COC(=O)c1ccc(-c2cccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)cc1COC(C)=O,WPUXVWGAWTUFRQ-UHFFFAOYSA-N
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-rxn:4:180508:224485,CC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2ccc(SC3C(=O)CC(C)(C)CC3=O)cc2)c1,ROAJLOLWGQCQRE-UHFFFAOYSA-N
-rxn:4:180669:223493,CCOc1ccc(-c2cc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)ccc2C)c2ccccc12,JZQXEYVSNQDPHB-UHFFFAOYSA-N
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-rxn:4:180815:224590,COc1ccc(-c2ccc(CN3CCC(C)CC3)cc2F)cc1C12CC3CC(CC(C3)C1)C2,LPXSDCSIYQONNT-UHFFFAOYSA-N
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-rxn:4:182376:225201,CO[C@H]1[C@H](C)C[C@@]2(Cc3ccc(-c4ccc(OC5CCCC5)c(F)c4F)cc3C2=O)C[C@@H]1C,VPLOQIOUVUMLPK-AJYVSHTCSA-N
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-rxn:4:183273:229278,Cn1ncc(Cl)c1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,ZSAIZYOWUVYBGW-UHFFFAOYSA-N
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-rxn:4:183274:229171,Cc1ncc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCOCCO3)c(Cl)n1,XXOPYZKATWDRTL-UHFFFAOYSA-N
-rxn:4:183473:222712,COC(=O)COCc1c(-c2ccc(NC(=O)OC(C)(C)C)c(F)c2F)cccc1[N+](=O)[O-],GGDXJQOBJABEPL-UHFFFAOYSA-N
-rxn:4:183546:223698,CCCCCOc1cc(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCCC3)c2)ccc1C#N,LCWOAIUVHYGUPT-UHFFFAOYSA-N
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-rxn:4:183726:224886,CCCOc1cc(-c2ccc(CN3CCC(C)CC3)cc2)ccc1C(=O)ON1C(=O)CCC1=O,WQPXMXQNVUMZRR-UHFFFAOYSA-N
-rxn:4:183746:226898,COC(=O)CSC1CCN(C(=O)c2ccccc2-c2cn(S(=O)(=O)N(C)C)nc2C)C1,HKBMNKWOOWBORM-UHFFFAOYSA-N
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-rxn:4:183891:222614,O=C(Cc1ccc(OCc2ccccc2)c(-c2ccc(S(=O)(=O)NC3CC3)cc2C(F)(F)F)c1)N1CCC1,MNGIZONLVQJGEE-UHFFFAOYSA-N
-rxn:4:183894:222589,OC1CCN(CCOc2ccc(-c3cccc(F)c3OCCCN3CCC(C(F)(F)F)CC3)cc2Cl)CC1,YEVHDIHTEUGNSB-UHFFFAOYSA-N
-rxn:4:183903:224845,CC(C)(C)OC(=O)Oc1cc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)cnc1C#C[Si](C)(C)C,SNRQFZXBOLXYJG-UHFFFAOYSA-N
-rxn:4:183912:222448,CC1CCN(CCOc2cc(OC(F)(F)F)ccc2-c2cc(C(=O)NCc3ccccc3)cc([N+](=O)[O-])c2)CC1,PLYUGFNKTZNODN-UHFFFAOYSA-N
-rxn:4:183937:223725,CCCCCc1ccc(-c2ccc(-c3cc(F)ccc3CN(C(=O)OC(C)(C)C)C3CCC3)c(F)c2)cc1,REXKKQCQZXXSAK-UHFFFAOYSA-N
-rxn:4:183957:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2cccc(OCC3CCN(C(=O)OC(C)(C)C)C3)c2)cc1,PLJJAVUFNJEDAE-UHFFFAOYSA-N
-rxn:4:183966:224824,CC(C)(C)OC(=O)N1CCC(COc2cc(Cl)cc(-c3cc(C4OCCO4)cc(C(F)(F)F)c3)c2)C1,MWPWGKRRRREADD-UHFFFAOYSA-N
-rxn:4:183983:223556,Cc1ccc(-c2ccc3c(c2)c2ccccc2n3C(=O)OC(C)(C)C)cc1CN(C(=O)OC(C)(C)C)C(C)C,IYSLRJMFLLHWAQ-UHFFFAOYSA-N
-rxn:4:183985:222619,CC(C)[Si](Oc1ccc(-c2ccc(CNC(=O)C3CCCCC3)cc2)c(C#N)c1)(C(C)C)C(C)C,NFWUORUKMZPWIN-UHFFFAOYSA-N
-rxn:4:183985:223556,CC(C)[Si](Oc1ccc(-c2ccc3c(c2)c2ccccc2n3C(=O)OC(C)(C)C)c(C#N)c1)(C(C)C)C(C)C,BBTIYMJWQVAOIT-UHFFFAOYSA-N
-rxn:4:183993:223029,Cc1ccc(-c2ccc(NC(=O)OC(C)C)cc2)cc1CN(C(=O)OC(C)(C)C)C1CCC1,CPZWZABKJPNLJS-UHFFFAOYSA-N
-rxn:4:183993:224678,Cc1ccc(-c2ccc(F)c(C(=O)N3CCCCC3)c2)cc1CN(C(=O)OC(C)(C)C)C1CCC1,TVGXUZGYAPHSSX-UHFFFAOYSA-N
-rxn:4:183993:226111,Cc1ccc(-c2ccccc2COC(C)(C)C)cc1CN(C(=O)OC(C)(C)C)C1CCC1,UBKDOHYRTXHJAZ-UHFFFAOYSA-N
-rxn:4:183994:222823,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc(CN(C(=O)OC(C)(C)C)C3CCCC3)cc2)c(F)c1,IANGRSGRVDMZMD-UHFFFAOYSA-N
-rxn:4:183994:226128,CC(C)(C)OC(=O)N(Cc1ccc(-c2ccc(C(=O)CC3CC3)cc2)cc1)C1CCCC1,PEKMFZXBGKQBFC-UHFFFAOYSA-N
-rxn:4:183995:224847,Cc1cc(CN(C(=O)OC(C)(C)C)C2CCC2)cc(-c2cc(C(C)(C)C)ccc2C(C)(C)C)c1,VTKACQASQOYNNH-UHFFFAOYSA-N
-rxn:4:184003:223676,O=C(Cc1ccc(-c2cc(OCc3ccccc3)cc(C(F)(F)F)c2F)cc1)N1CCC(S(=O)(=O)Cc2ccco2)CC1,SLJPZLLGVRWAQR-UHFFFAOYSA-N
-rxn:4:184004:225334,COc1ccc(CCN2C(=O)C(=Cc3ccc(-c4ccc(F)cc4COCC(F)(F)F)cc3)SC2=S)cc1OC,DURUFPDVSTXHJS-UHFFFAOYSA-N
-rxn:4:184020:227249,CCCOc1ccc(Cl)c(-c2ccc(OC[C@@H]3CCCN3C(=O)OC(C)(C)C)c(C)c2)c1,SSTBOZNBCDQOTP-FQEVSTJZSA-N
-rxn:4:184021:223099,CC(C)(C)OC(=O)N(Cc1cccc(Cl)c1-c1cccc(NC(=O)C(F)(F)F)c1)C1CCOCC1,XWJPNYHIPSSHSC-UHFFFAOYSA-N
-rxn:4:184027:225223,CC1CCN(c2cc(F)c(-c3ccc(OCC4CCN(C(=O)OC(C)(C)C)CC4)c(F)c3)cn2)CC1,OYAVGPBAHKOUFD-UHFFFAOYSA-N
-rxn:4:184027:227991,CC(C)(C)OC(=O)N1CCC(COc2ccc(-c3ccc(Cl)cc3C3CC3)cc2F)CC1,JMWVQFVLHYWKKC-UHFFFAOYSA-N
-rxn:4:184053:223079,CC(C)NS(=O)(=O)c1cccc(-c2cc(CN(C)C(=O)OC(C)(C)C)cc(C(C)(C)C)c2)c1,LYIAVFZWSNKSJU-UHFFFAOYSA-N
-rxn:4:184062:224845,Cc1cc(CN(C(=O)OC(C)(C)C)C2CCCC2)ccc1-c1cc(C(C)(C)C)cc(C(C)(C)C)c1,DIGXUAFAVYLRFQ-UHFFFAOYSA-N
-rxn:4:184062:225557,COC(=O)C1(c2ccc(-c3ccc(CN(C(=O)OC(C)(C)C)C4CCCC4)cc3C)cc2)CC1,JCRPLCTTWMKDJP-UHFFFAOYSA-N
-rxn:4:184063:226115,Cc1cc(-c2cccc(C(=O)CC(C)C)c2)ccc1CN(C(=O)OC(C)(C)C)C1CCCC1,SQBRIRMLCWASID-UHFFFAOYSA-N
-rxn:4:184095:225814,CC(C)(C)[Si](C)(C)OC[C@H]1CCCN1S(=O)(=O)c1ccc(-c2cccc(C3(C(F)(F)F)CC3)c2)cc1,GHLDWEWNMQGBPB-HSZRJFAPSA-N
-rxn:4:184096:228176,COCc1ccc(-c2ccc(CN(C(=O)OC(C)(C)C)C3CCC(C)(C)CC3)cc2)cc1F,JSGASJZDJWHMBZ-UHFFFAOYSA-N
-rxn:4:184096:228640,Cc1c(Cl)ccc(-c2ccc(CN(C(=O)OC(C)(C)C)C3CCC(C)(C)CC3)cc2)c1C,HUWUSYDMUOYUSQ-UHFFFAOYSA-N
-rxn:4:184099:223313,CC(c1ccc(-c2ccc(C3(O)CC3)cc2)cc1)N(C(=O)OC(C)(C)C)C1CCC(C)(C)CC1,VGMYVQUHXXXOGN-UHFFFAOYSA-N
-rxn:4:184099:224075,CC(c1ccc(-c2ccc3ccn([Si](C)(C)C(C)(C)C)c3c2)cc1)N(C(=O)OC(C)(C)C)C1CCC(C)(C)CC1,YJMNYHVOUCQFTB-UHFFFAOYSA-N
-rxn:4:184099:227815,CCC(C)c1ccccc1-c1ccc(C(C)N(C(=O)OC(C)(C)C)C2CCC(C)(C)CC2)cc1,OAHYFNUEDIBMCR-UHFFFAOYSA-N
-rxn:4:184100:224419,Cc1cc(CN(C(=O)OC(C)(C)C)C2CCC(C)(C)CC2)cc(-c2ccc3c(c2)-c2ccccc2C3(C)C)c1,HIQPJMJMXKQGRW-UHFFFAOYSA-N
-rxn:4:184168:222702,CC(C)(C)OC(=O)N(Cc1ccc(-c2cc(C3CCCNC3)ccc2C(F)(F)F)c2ccccc12)C1CC1,IAIZKTOFPDJRIQ-UHFFFAOYSA-N
-rxn:4:184224:222447,COc1ccc2c(c1-c1cc(C)c3nc(-c4ccccc4)cc(C(=O)OC(C)C(=O)c4ccc(C)cc4)c3c1)N=C(NC(=O)OC(C)(C)C)C2,PLMGHTBVNVUXEP-UHFFFAOYSA-N
-rxn:4:184299:222637,CC(NC(=O)OC(C)(C)C)c1ccc(-c2cccc([N+](=O)[O-])c2OCCC(F)(F)F)cc1,USADUFMSSQAGTN-UHFFFAOYSA-N
-rxn:4:184458:224627,COC(=O)Cc1ccc(-c2ccc(C(=O)N3CC(N(C)C)C3)cc2)c(C(F)(F)F)c1C#N,OCQVEQKWKRTOTG-UHFFFAOYSA-N
-rxn:4:184653:224009,CCOC(=O)Cc1cc(-c2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)cc(C#N)c1C,GVPKZJBGVNYWOQ-UHFFFAOYSA-N
-rxn:4:184711:223828,CCOC(=O)C(C)(C)Sc1ncccc1-c1cc(N2CCN(CC)CC2)cc(C(F)(F)F)c1,XQYYGMBKLORBBC-UHFFFAOYSA-N
-rxn:4:184720:223895,CCN1CCN(CCOc2ccc(-c3ccc(OC)c(OCC(=O)N(C)C)c3)cc2)CC1,KMAOALMUZPXQOY-UHFFFAOYSA-N
-rxn:4:184745:222937,O=C(NCC(F)(F)F)c1ccc(-c2ccc(C(=O)N3CCC3(F)F)c(OCC(F)F)c2)cc1,KSDNBHYMRZAZGZ-UHFFFAOYSA-N
-rxn:4:184810:223637,CCCN(CC)Cc1cccc(-c2ccccc2C2CCCN(C(=O)OC(C)(C)C)C2)c1,SFTHKFGBYYNBAO-UHFFFAOYSA-N
-rxn:4:184840:224799,CCN(CC)S(=O)(=O)c1ccc(-c2cc(OC(C)C)cc(OC(F)(F)F)c2)c(C(F)(F)F)c1,MWXHOZFQSXHITA-UHFFFAOYSA-N
-rxn:4:184894:222884,CCOC(=O)CN1C(=O)C(=Cc2cccc(-c3cc(F)cc(C(=O)NC(C)(C)C)c3)c2)SC1=S,GRDXUWZINGHQKR-UHFFFAOYSA-N
-rxn:4:184910:222514,COc1ccc(-c2ccc(OCC3CN(C(=O)C4CC4)C3)cc2)cc1S(=O)(=O)NC1CCCCC1,MOVUEBUWFQPUQD-UHFFFAOYSA-N
-rxn:4:184916:222647,Cc1cc(-c2ccc(C(=O)N3CCC3)c(OCC3CC3)c2)c(C)cc1NC(=O)OC(C)(C)C,YLURUMMSOCWMNL-UHFFFAOYSA-N
-rxn:4:184935:224834,CCN(C(=O)OC(C)(C)C)c1ccc(-c2cn(S(=O)(=O)N(C)C)nc2C(F)(F)F)cc1,YAWREQLKKPCYOJ-UHFFFAOYSA-N
-rxn:4:184964:225043,CN(C(=O)OC(C)(C)C)c1cc(-c2ccc(OC3CCCCC3)c(F)c2)cc(C(F)(F)F)c1,ATNYFNQOLJVHLG-UHFFFAOYSA-N
-rxn:4:185004:225909,CCOc1ccc(-c2cc(C(F)(F)F)ccc2OCC(=O)N2CCCCC2)c(C(F)(F)F)c1,LONCWZTYMLADBN-UHFFFAOYSA-N
-rxn:4:185033:224599,O=C(c1ccc(F)c(-c2ccccc2OCC2CCCN(CC(F)F)C2)c1)C1CCCCC1,RZWIUYORFDFNEC-UHFFFAOYSA-N
-rxn:4:185049:224482,FC(F)(F)C1CCCN(CCOc2ccc(-c3cccc(OCCCN4CCCC4)c3)cc2)C1,KMBZNRABMBXGBR-UHFFFAOYSA-N
-rxn:4:185111:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3cc(F)ccc3CC(=O)N3CCC(C(=O)OC)CC3)c2)CC1,AXKRSBFJAFYBNX-UHFFFAOYSA-N
-rxn:4:185121:224187,CCN1C(=O)C(=Cc2ccc(COc3ccc(-c4ccc(OCCN5CCCCC5)cc4F)cc3)o2)SC1=S,GGGPCUOOYNNTAX-UHFFFAOYSA-N
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-rxn:4:185182:224588,COc1ccc(-c2cc(F)cc(CN3CCC(C)CC3)c2)c(CN(C)CC2CCCC2)c1,MLTQGZXCCNLPRC-UHFFFAOYSA-N
-rxn:4:185249:223600,COc1cc(-c2cn(S(=O)(=O)c3ccc(C)cc3)c3ncc(Cl)cc23)cc(OC)c1CN1CCCCC1C(F)(F)F,XBWYLUAKOKSCIP-UHFFFAOYSA-N
-rxn:4:185296:222931,CCOc1ccc(C=C2SC(=S)N(c3ccccc3-c3cnc(Cl)c(N4CCCCC4O)c3)C2=O)cc1OC,MBMGABSCEMBNLJ-UHFFFAOYSA-N
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-rxn:4:185317:223575,CC(C)(C)OC(=O)N1CCN(Cc2ccccc2-c2cc(C3CN(C(=O)OC(C)(C)C)C3)ccc2C2CC2)CC1,DYLYLOLDPYZEKU-UHFFFAOYSA-N
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-rxn:4:185367:224080,CC1CCN(C(=O)COc2ccc(C(C)C)cc2-c2ccc(OCCCN3CCCCC3)cc2)CC1,DORAMANRVHRXTJ-UHFFFAOYSA-N
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-rxn:4:185401:227555,CCCOc1cc(S(=O)(=O)N2CC(C)CC(C)C2)ccc1-c1ccc(Cl)c(OCC)c1F,JHBGODOSALGDIP-UHFFFAOYSA-N
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-rxn:4:186873:224187,Fc1cc(-c2ccc(OCCN3CCCCC3)cc2F)ccc1OCCN1CCOCC1,JTDRLSXVNALTJJ-UHFFFAOYSA-N
-rxn:4:186909:222918,CC(C)(C)NS(=O)(=O)c1cccc(-c2cc(C(F)(F)F)ccc2/C=N/S(=O)C(C)(C)C)c1,WWTWVPUATJNEAD-VULFUBBASA-N
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-rxn:4:187148:222807,O=C(NC1CC1)c1cc(-c2ccc(CC(=O)N3CCCC(C(F)(F)F)C3)cc2F)cc([N+](=O)[O-])c1,JCEORVGBTRTERA-UHFFFAOYSA-N
-rxn:4:187185:224420,COC(=O)C1(C)CCN(Cc2ccc(-c3cc4c(cc3C)C(C)(C)CCC4(C)C)cc2)C1,CYISAYHHLHDDQO-UHFFFAOYSA-N
-rxn:4:187191:224125,CCCS(=O)(=O)N1CCCC1c1ccc(-c2ccc(CN3CCN(C4CC4)CC3)cc2)cc1,HREYAXPWPPYRNM-UHFFFAOYSA-N
-rxn:4:187202:223103,CC(C)(C)NS(=O)(=O)c1ccc(-c2cc(C3CN(C(=O)OC(C)(C)C)C3)ccc2Cl)s1,KBNQMMWTPLULFI-UHFFFAOYSA-N
-rxn:4:187227:225929,Cc1cc(-c2ccc(Cl)c(CCN3CCC(C(F)(F)F)CC3)c2)ccc1S(=O)(=O)N(C)C,GBIKRIHNILNUSE-UHFFFAOYSA-N
-rxn:4:187245:224659,COC(=O)c1cc(-c2cccc(C(=O)N3CCN(C)CC3)c2)ccc1CN1CCC(F)(F)CC1,KECKGFCOZWJJDD-UHFFFAOYSA-N
-rxn:4:187310:222657,CC1CCCCN1CCOc1c(F)cc(Cl)cc1-c1ccc(F)c(C(=O)NC2CCCCC2)c1,LRDOMILAKAHLHO-UHFFFAOYSA-N
-rxn:4:187352:223572,CC1CCN(S(=O)(=O)c2ccc(-c3cnc([Si](C(C)C)(C(C)C)C(C)C)s3)c3ccccc23)CC1,SCAJJPGOHWJADC-UHFFFAOYSA-N
-rxn:4:187353:223899,COc1cc(C(=O)N(C(C)C)C(C)C)ccc1-c1coc([Si](C(C)C)(C(C)C)C(C)C)n1,QBNNCTUZCBDIEO-UHFFFAOYSA-N
-rxn:4:187403:224552,CCN(Cc1cc(F)cc(-c2cc(F)cc(COC3CCCCC3)c2)c1)C1CCCCC1,JXCQIMZUBWDKIS-UHFFFAOYSA-N
-rxn:4:187406:224462,Cc1cc(-c2ccc(C3CCN(C4CC4)CC3)cc2)ccc1OCC(=O)N1CCC(C)CC1,MIZKKSJMXYJJAU-UHFFFAOYSA-N
-rxn:4:187415:225568,COC(=O)C(C)(C)c1ccc(-c2ccc(C3CCN(C(=O)OC(C)(C)C)CC3)o2)cc1,YZCWNHWEQYDFLD-UHFFFAOYSA-N
-rxn:4:187424:225043,COC(=O)c1ccc(-c2ccc(OC3CCCCC3)c(F)c2)cc1CN1CCCC(C)C1,OAQNVAHHMCAYJP-UHFFFAOYSA-N
-rxn:4:187485:225750,CCOc1cc(S(=O)(=O)N2CCCC(C)C2)ccc1-c1cc(F)c(F)c(N(CC)CC)c1,ZLKLTKXLDFVLFS-UHFFFAOYSA-N
-rxn:4:187489:225914,CCOc1cc(-c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2OCC)cc(C(F)(F)F)c1,CGVXXTANYYEBHK-UHFFFAOYSA-N
-rxn:4:187504:226471,CN(C)CCOc1ccc(-c2ccc(OCCN3CCC4(CC3)OCCO4)c(F)c2)cn1,MAWSZBWIRWVRNF-UHFFFAOYSA-N
-rxn:4:187505:222912,CC(C)CNS(=O)(=O)c1ccc(-c2ccc(C3CN(C(=O)OC(C)(C)C)CCO3)c(Cl)c2)cc1,LEKJWRSBAFMRIS-UHFFFAOYSA-N
-rxn:4:187546:224493,CCN(C(=O)c1cc(-c2ccc(CO[Si](C)(C)C(C)(C)C)cc2)ccc1C)C1CCCCC1,ZZZGGYSNKFIBAE-UHFFFAOYSA-N
-rxn:4:187573:224970,CC(C)(C)OC(=O)N1CCC(c2cccc(-c3ccc(S[Si](C)(C)C(C)(C)C)cc3)c2)CC1,KQENMJVPYJHHED-UHFFFAOYSA-N
-rxn:4:187586:223102,CC(C)(C)NS(=O)(=O)c1sccc1-c1ccc(C2CCCN(C(=O)OC(C)(C)C)C2)c(Cl)c1,SMDHZZAVVBWXMS-UHFFFAOYSA-N
-rxn:4:187589:224089,CC1CCN(CCOc2ccc(-c3cc(C4CCCN(C(=O)OC(C)(C)C)C4)ccc3F)cc2)CC1,YHDRYIZAXKZUSE-UHFFFAOYSA-N
-rxn:4:187592:223098,CC(=O)NS(=O)(=O)c1ccc(-c2cc(C3CCN(C(=O)OC(C)(C)C)CC3)ccc2F)cc1,DTSISJLUVUOCOJ-UHFFFAOYSA-N
-rxn:4:187628:225213,CCOc1cc(S(=O)(=O)N2CC(C)CC(C)C2)ccc1-c1ccc(N2CCN(C)CC2)cc1Cl,KMMSFNQBTFNGJS-UHFFFAOYSA-N
-rxn:4:187633:225199,CC(C)(C)OC(=O)N1CCOC(C)(c2cccc(-c3cc(F)c(OC4CCCC4)c(F)c3)c2)C1,LLEGIZWSEQRWAD-UHFFFAOYSA-N
-rxn:4:187660:222798,Cc1ccc(-c2ccc(S(=O)(=O)NC(C)(C)C)cc2C)c(C2CCCN(C(=O)OC(C)(C)C)C2)c1,SVYVZGZDXUYXRS-UHFFFAOYSA-N
-rxn:4:187681:222936,CCC(=O)NS(=O)(=O)c1ccc(-c2cc(C)cc(C3CCN(C(=O)OC(C)(C)C)CC3C)c2)cc1,IMCYSZYOJLCHTB-UHFFFAOYSA-N
-rxn:4:187808:222759,COCCCN1Cc2cc(-c3cc(C)cc(NC(=O)OC(C)(C)C)c3)ccc2OCC1=O,AQPCAARJZDTUBK-UHFFFAOYSA-N
-rxn:4:187847:223079,CC(C)NS(=O)(=O)c1cccc(-c2cc3c(cc2C(F)F)N(C(=O)OC(C)(C)C)CC3)c1,WHTQAJAUMZOYBP-UHFFFAOYSA-N
-rxn:4:187896:224188,COc1ccc2cc(C(=O)C(C)=CN(C)C)ccc2c1-c1ccc(C(=O)N(C(C)C)C(C)C)cc1Cl,VADJFKFJADLXHY-UHFFFAOYSA-N
-rxn:4:187949:225050,COc1cc(N2Cc3cc(-c4cc(F)cc(N5CCC(C)CC5)c4)ccc3OCC2=O)cc(OC)c1OC,FRVLTWBMCKJRMN-UHFFFAOYSA-N
-rxn:4:187968:224280,CC(C)[Si](C(C)C)(C(C)C)n1ccc2cc(-c3cc4c(s3)CCN(C(=O)OC(C)(C)C)C4)ccc21,GJKNHCBOTVPUQC-UHFFFAOYSA-N
-rxn:4:187971:224168,CCN(C(=O)OC(C)(C)C)c1cccc(-c2ccc3ccn([Si](C(C)C)(C(C)C)C(C)C)c3c2)c1,GJCDDCVEKLIBFJ-UHFFFAOYSA-N
-rxn:4:188027:224682,CC(C)(C)c1ccc(C2c3c(oc4ccc(-c5ccc(C(=O)N6CCCCC6)c(Cl)c5)cc4c3=O)C(=O)N2CC2CCCO2)cc1,XLPTYQNVUZJZRB-UHFFFAOYSA-N
-rxn:4:189167:222546,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc(OCCNC3CCCCC3)c(F)c2)cc1,HIWMGICOUVKRGQ-UHFFFAOYSA-N
-rxn:4:189500:222582,O=C(NCCN1CCOCC1)c1cccc(-c2cc(N3CCCC3=O)ccc2OC(F)(F)F)c1,OZXRAEJBTOGTSL-UHFFFAOYSA-N
-rxn:4:189507:224018,O=S(=O)(c1cc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCOCC2)cc(C(F)(F)F)c1)N1CCC1,GSMHAAPDWYSYBW-UHFFFAOYSA-N
-rxn:4:189678:223999,CC1CCN(S(=O)(=O)c2ccc(F)c(-c3ccc(C(=O)N(C)C4CCCC4F)o3)c2)CC1,SIKSHHPCNUDSAG-UHFFFAOYSA-N
-rxn:4:189734:222721,O=C(c1c(-c2cc(C3CCNCC3)nc(C(F)(F)F)c2)cccc1C(F)(F)F)N1CCCC1,IIMPWMHIGAIDJK-UHFFFAOYSA-N
-rxn:4:189756:222585,O=C(NCCN1CCOCC1)c1ccccc1-c1ccc(C(F)(F)F)c(F)c1C(=O)N1CCCC1,IHDDAESOWXCBEV-UHFFFAOYSA-N
-rxn:4:189965:222849,CCN1C(=O)C(=Cc2cc(-c3ccc(C4CCNCC4)c(C#N)c3)ccc2OC)SC1=S,DODQAQUXVAUNFB-UHFFFAOYSA-N
-rxn:4:189965:223644,CCOC(=O)C1CCCN(C(=O)c2ccc(-c3ccc(OC)c(C=C4SC(=S)N(CC)C4=O)c3)cc2)C1,ZTWMEWMZBYADEQ-UHFFFAOYSA-N
-rxn:4:190007:222675,COc1cc(-c2ccc(CC(=O)N3CCCCC3)c(F)c2)ccc1NC(=O)OC(C)(C)C,JKWAWJKLPRWMTF-UHFFFAOYSA-N
-rxn:4:190058:224953,O=C(Cc1ccc(F)cc1-c1ccc(OCC2CCCCC2)nc1)N1CCC(F)(F)CC1,WBTHVXAWQUQRET-UHFFFAOYSA-N
-rxn:4:190104:222703,COC(=O)c1c(C2CCCCC2)ccnc1-c1ccc(C(F)(F)F)c(C2CCNCC2)c1,CJHSHWHLOKWBEX-UHFFFAOYSA-N
-rxn:4:190110:222631,CC(C)(C)c1cc(-c2ccc(C3CCCN3C(=O)C3CC3)cc2)cc(C2CCNCC2)n1,KMHVICGVRXPIPN-UHFFFAOYSA-N
-rxn:4:190125:224410,COC(=O)c1cc(-c2ccc(OCC(F)(F)F)c(C(F)(F)F)c2)ccc1N1CCCCC1,BKSQZTREVBXDJV-UHFFFAOYSA-N
-rxn:4:190134:222706,COc1cc(-c2cc(C3CCNCC3)ccc2C(F)(F)F)cc(C(=O)N2CCCCC2)c1F,QQBOWMUYHDSDGA-UHFFFAOYSA-N
-rxn:4:190137:222823,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc(CCN3CCC(F)(F)CC3)cc2F)c(F)c1,NBHHBIJUONRMEC-UHFFFAOYSA-N
-rxn:4:190170:225748,FC1(F)CCN(Cc2cc(C(F)(F)F)ccc2-c2ccncc2OCC2CCCO2)CC1,ORVVWKXAOHOWNG-UHFFFAOYSA-N
-rxn:4:190187:223901,COc1cc(CN2CCCCC2)cc(-c2ccc(OCCN3CCC(C)CC3)c(Cl)c2)c1,XFRINEHBWGRVHN-UHFFFAOYSA-N
-rxn:4:190300:224594,COc1ccc(-c2ccccc2C2CCCCN2C(C)=O)cc1C=C1SC(=S)N(c2ccc(F)cc2)C1=O,OXHNHVSRZUVIFA-UHFFFAOYSA-N
-rxn:4:190330:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2ccc(C3CCCN3S(=O)(=O)C(C)C)cc2)cc1,FJDSJDFSUJVIOL-UHFFFAOYSA-N
-rxn:4:190355:223992,Cc1ccc(-c2cc(C(F)(F)F)cc(S(=O)(=O)N3CCC(C)CC3)c2)cc1S(=O)(=O)N1CCN(C)CC1,LONMKOIEELCIDY-UHFFFAOYSA-N
-rxn:4:190375:224885,COc1ccc(-c2ccccc2CN2CCC(C)CC2)cc1S(=O)(=O)N1CCCC(C)C1,VZPQXQFTAGETRI-UHFFFAOYSA-N
-rxn:4:190393:225111,COc1ccc(-c2cc(F)ccc2N2CCCC(C(=O)C(C)C)C2=O)c(F)c1OCC(C)C,CKJCGKZQWRKPQO-UHFFFAOYSA-N
-rxn:4:190433:223730,Cc1cc(-c2ccc(COc3cc(C)ccc3C(C)C)cc2)cc(S(=O)(=O)N2CCCC(C(C)(F)F)C2)c1,BDDHIGILKXYZOD-UHFFFAOYSA-N
-rxn:4:190461:222695,Cc1ccc(-c2ccc(Cl)c(C(=O)N3CCSC(c4ccccc4F)CC3)c2)cc1S(=O)(=O)NC1CCCC1,JUEHFJVIIANVGI-UHFFFAOYSA-N
-rxn:4:190484:224847,CC(C)(C)c1ccc(C(C)(C)C)c(-c2cccc(C(=O)N3CCC(c4ccccc4Cl)S(=O)(=O)CC3)c2)c1,TUOPOYOXSDYXEZ-UHFFFAOYSA-N
-rxn:4:190899:224082,CCC(C(=O)OC(C)(C)C)c1cccc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CCO3)c1,FDWRCIJVPYCQHU-UHFFFAOYSA-N
-rxn:4:190984:224842,CSC1CC2CCC(C1)N2C(=O)c1cccc(-c2ccc3c(c2)C(C)(C)CCC3(C)C)c1,SWJPRFRIMPFZCT-UHFFFAOYSA-N
-rxn:4:191030:222936,CCC(=O)NS(=O)(=O)c1ccc(-c2ccc3c(c2)C(C)(C)N(C(=O)OC(C)(C)C)C3)cc1,GMVMUMBZGDZICK-UHFFFAOYSA-N
-rxn:4:191039:224847,CC(C)(C)OC(=O)N1CC(C)(C)c2cc(-c3cc(C(C)(C)C)ccc3C(C)(C)C)ccc21,WULWOGVPZWOMSE-UHFFFAOYSA-N
-rxn:4:191058:225043,COC(=O)C1CCN(C2CCc3cc(-c4ccc(OC5CCCCC5)c(F)c4)ccc32)CC1,VDTGHBYMCTWDCA-UHFFFAOYSA-N
-rxn:4:191062:222988,Cc1cc(-c2ccccc2S(=O)(=O)N2C3CCC2CC(S(C)(=O)=O)C3)cc(C2CCNCC2)n1,MOTZJKAUGOVKJI-UHFFFAOYSA-N
-rxn:4:191080:225180,COC(=O)C1=CN(c2ccc(C)c(C)c2)c2cc(-c3ccc(C(=O)N4CCCC4)cc3Cl)ccc2S1(=O)=O,GDPKFYBLUPYSMQ-UHFFFAOYSA-N
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-rxn:4:212584:225110,CC(C)N(Cc1nn(C)cc1-c1ccc(OC(=O)OC(C)(C)C)cc1)C(=O)OC(C)(C)C,CYIIXOSBMDEPKG-UHFFFAOYSA-N
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-rxn:4:212694:223805,COCCN1C(=O)CN(C2CCN(C(=O)c3ccccc3-c3ccccc3OCc3ccc(C(F)(F)F)cc3)CC2)C1=O,UNGLOPBJLICZDB-UHFFFAOYSA-N
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-rxn:4:212738:223670,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cccnc3N3CCN(C(=O)OC(C)(C)C)CC3)cc2N2CCOCC2)CC1,NSDUYLOVKLRZBD-UHFFFAOYSA-N
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-rxn:4:213074:225731,CCOC(=O)c1ccc(-c2nccn2CC2CCN(C(=O)OC(C)(C)C)CC2)c(OC)c1,QMSWXILUCNFVNJ-UHFFFAOYSA-N
-rxn:4:213100:225286,CC(C)(C)OC(=O)c1cnc(F)cc1-c1cn(C2CCN(C(=O)OC(C)(C)C)CC2)nc1C(F)(F)F,ZQVADXXNFRNADU-UHFFFAOYSA-N
-rxn:4:213123:226832,O=C(Cc1ccccc1-c1cccnc1OCC(F)(F)F)N1CCN(c2ccnc(C(F)(F)F)c2)C(=O)C1,LBJZXVJLMOQQHE-UHFFFAOYSA-N
-rxn:4:213123:226845,COc1ncc(C(F)(F)F)cc1-c1ccccc1CC(=O)N1CCN(c2ccnc(C(F)(F)F)c2)C(=O)C1,FBTHQPNPFCNXLC-UHFFFAOYSA-N
-rxn:4:213127:225975,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3ccnc(N4CCOCC4)c3Cl)ccn2)CC1,NIFMFHSNVRTMMP-UHFFFAOYSA-N
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-rxn:4:213127:225980,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3cc(N4CCOCC4)ncc3F)ccn2)CC1,CUNKFKHPKYUDJE-UHFFFAOYSA-N
-rxn:4:213127:225984,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3cnc(Cl)c(N4CCOCC4)c3)ccn2)CC1,ZFAZRYCWXRVILW-UHFFFAOYSA-N
-rxn:4:213130:225984,CC(C)(C)OC(=O)N1CCN(Cc2cncc(-c3cnc(Cl)c(N4CCOCC4)c3)c2)CC1,OUOPWRZDULJPDJ-UHFFFAOYSA-N
-rxn:4:213134:222546,CCC(C)(C)C(=O)N1CCC(Oc2ncc(-c3ccc(OCCNC4CCCCC4)c(F)c3)cn2)CC1,WJNSDLGVWYYHEZ-UHFFFAOYSA-N
-rxn:4:213134:224672,CCN1CCN(c2ccc(-c3cnc(OC4CCN(C(=O)C(C)(C)CC)CC4)nc3)c(Cl)c2)CC1,ZDHIZCUXQOSQIZ-UHFFFAOYSA-N
-rxn:4:213135:223048,CC(C)(C)CC(=O)N1CCC(Oc2ncc(-c3cccc(C(=O)NC4CC4)c3F)cn2)CC1,OUSSVELOIXVTQM-UHFFFAOYSA-N
-rxn:4:213135:223945,CC(C)(C)CC(=O)N1CCC(Oc2ncc(-c3ccc(OCCCN4CCOCC4)c(F)c3)cn2)CC1,FPQHMEVSICZWIY-UHFFFAOYSA-N
-rxn:4:213138:223166,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3ccc(N4CCNCC4)nc3)cnc2F)CC1,PYESNYUZMUTZGF-UHFFFAOYSA-N
-rxn:4:213180:222634,Cc1cc(C(=O)N2CCC(COc3ncc(-c4ccc(OCCNC5CCCC5)c(F)c4)cn3)CC2)c(C)o1,HQROANCVPLWVJP-UHFFFAOYSA-N
-rxn:4:213192:226222,CCCCCOc1ccc(-c2cc(C(=O)OC(C)(C)C)cc(N3CCN(C(C)=O)CC3)n2)cn1,BWWCOIZPLJFIIJ-UHFFFAOYSA-N
-rxn:4:213201:224409,Cc1cc(OCC2CCN(S(=O)(=O)c3ccccc3-c3cc(OCC(F)(F)F)cc(C(F)(F)F)c3)CC2)ncn1,HUVAJKHUDSYGAJ-UHFFFAOYSA-N
-rxn:4:213216:225386,O=[N+]([O-])c1cc(C(F)(F)F)c(F)cc1-c1cnc(OCC2CCCN(CC3CCCCO3)C2)nc1,WKBOTFBRXHCSSL-UHFFFAOYSA-N
-rxn:4:213218:224003,C[C@H]1CN(Cc2ccc(-c3cnc(Cl)c(-c4cccc(C(F)(F)F)c4)c3)cn2)CCN1C(=O)OC(C)(C)C,QVQZGKGYPIYSGZ-SFHVURJKSA-N
-rxn:4:213237:223294,CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1c1ncc(-c2ccc(-c3csc(N4CCNCC4)n3)cc2)[nH]1,HQGANDPWPNBRFB-FQEVSTJZSA-N
-rxn:4:213237:226792,CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1c1ncc(-c2ccc(-c3cnc(N4CCOCC4)nc3)cc2)[nH]1,OOYWGSXGLOFFSZ-NRFANRHFSA-N
-rxn:4:213263:225758,CN(C)c1ccc(C(=S)N2CCN(C(=S)c3cccc(-c4ccncc4C(=O)OC(C)(C)C)c3)CC2)cc1,LHGMZGCMEHFMMX-UHFFFAOYSA-N
-rxn:4:213266:223931,CC(C)N1CCN(c2cc(C(=O)OC(C)(C)C)cc(-c3cc4ccc(Cl)cc4n3C(=O)OC(C)(C)C)n2)CC1,GVOUIGCQXYEKCI-UHFFFAOYSA-N
-rxn:4:213269:225172,COc1ccc(-c2cc(CN3CCOCC3)ccc2F)c(C(=O)N2CCC(n3nc(C4CC4)ccc3=O)CC2)c1,STVJUYVYPOJMPW-UHFFFAOYSA-N
-rxn:4:213277:224325,COc1ccc(S(=O)(=O)N2CCC(c3nc(-c4cccc(-c5ccc(C6=CCN(S(C)(=O)=O)CC6)cc5)c4)no3)CC2)cc1,JYNBOJLECQKTGX-UHFFFAOYSA-N
-rxn:4:213281:223869,CCOc1ccc(-c2cccnc2OC2CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)CC2)cc1OCc1ccccc1,CTMOPQQLQZXFFM-UHFFFAOYSA-N
-rxn:4:213281:229038,Cc1ccc(Cl)c(-c2cccnc2OC2CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)CC2)c1,FULCJICEQYOGDX-UHFFFAOYSA-N
-rxn:4:213320:222837,COC(=O)c1nc(-c2cccc(CC(=O)NC(C)(C)C)c2)n2c1CN(C(=O)OC(C)(C)C)CC2,IZDFUCRLRAHROH-UHFFFAOYSA-N
-rxn:4:213320:223181,CCNS(=O)(=O)c1cccc(-c2nc(C(=O)OC)c3n2CCN(C(=O)OC(C)(C)C)C3)c1,BIJWVVUQSYLRCF-UHFFFAOYSA-N
-rxn:4:213336:224881,COC(=O)c1nc(-c2cccc(CN3CCCCCC3)c2)n2c1CCN(C(=O)OC(C)(C)C)CC2,XXADLEPYGCCJDP-UHFFFAOYSA-N
-rxn:4:213380:225747,Cc1ccc(-c2ccc(-n3c(SCC(=O)N4CCCCC4)nc4c(c3=O)SCC4)cc2)n1C(=O)OC(C)(C)C,DYNZNJVATWWIBF-UHFFFAOYSA-N
-rxn:4:213458:222968,COc1ccc(-c2ccc(C(=O)NCC(C)C)cc2)cc1[C@@H]1[C@@H](C(C)=O)N2c3ccccc3C=C[C@@H]2C1(C#N)C#N,JNDRRAHWCPIHKA-XWHIBYANSA-N
-rxn:4:213480:223047,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4cc(F)cc(C(=O)NC5CC5)c4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,DZMYAEFZNJWJAO-VAALAVNJSA-N
-rxn:4:213629:223583,COC(=O)c1ccc2c(-c3ccnn3C3CN(C(=O)OC(C)(C)C)C3)cn(C(=O)OC(C)(C)C)c2c1,YCPBWRWKRWVBOH-UHFFFAOYSA-N
-rxn:4:213693:225826,CC(C(=O)N1CCCC(C(F)(F)F)C1)n1cc(-c2cncc(N3CCN(C)CC3)c2)cn1,VCMCNBQASKVXDM-UHFFFAOYSA-N
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-rxn:4:213765:224793,CC(C)COc1ncc(C(F)(F)F)cc1-c1cncc(C2CCN(C(=O)OC(C)(C)C)C2)n1,KPKCTZSPYQUQRG-UHFFFAOYSA-N
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-rxn:4:213874:224746,CC(=O)N1CCN(c2ccc(-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)cn2)CC1,OGEOJNMPXVJJAH-UHFFFAOYSA-N
-rxn:4:213874:225729,CCCCOc1ccc(F)c(-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)c1F,VKXHHRQGXGHGNP-UHFFFAOYSA-N
-rxn:4:213874:225984,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cnc(Cl)c(N4CCOCC4)c3)ccn2)CC1,QULONVXBKJEIBW-UHFFFAOYSA-N
-rxn:4:213880:225984,CC(C)(C)OC(=O)N1CCN(c2cnccc2-c2cnc(Cl)c(N3CCOCC3)c2)CC1,QHTLRYDNVGUVPI-UHFFFAOYSA-N
-rxn:4:213894:223080,CC(C)NS(=O)(=O)c1ccc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2)cc1,XDTOELJWSLVIEE-UHFFFAOYSA-N
-rxn:4:213910:227477,CCOC(=O)c1cc(-c2cccnc2OC2CCN(S(=O)(=O)N3CCOCC3)C2)ccn1,AGCZZGQVZQMJBI-UHFFFAOYSA-N
-rxn:4:213971:228695,CN(C)Cc1cc(-c2cc(C(F)(F)F)cnc2N2CCOC(C(=O)N3CCOCC3)C2)cs1,NMECOLYBEMHSCA-UHFFFAOYSA-N
-rxn:4:213972:223387,CCOC(=O)c1cc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)c(C(F)(F)F)c2)[nH]n1,GJLQWOPTYBYVQN-UHFFFAOYSA-N
-rxn:4:213972:225102,CCN(CC)C(=O)c1cc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)c(C(F)(F)F)c2)ccc1F,NVWFFCFFQRNTQE-UHFFFAOYSA-N
-rxn:4:213973:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cc(C(F)(F)F)cnc3N3CCOC(C(=O)N4CCSCC4)C3)c2Cl)CC1,CTDGVVPGIQSHTJ-UHFFFAOYSA-N
-rxn:4:213987:226844,Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1ccnc(C(=O)C(F)(F)F)c1,MCTIQIRMRAFUTA-UHFFFAOYSA-N
-rxn:4:214001:225898,CC1CN(c2ncc(-c3cnn(CCN4CCOCC4)c3)cc2F)CCN1C(=O)OC(C)(C)C,RJWSNQPDFZWFFG-UHFFFAOYSA-N
-rxn:4:214027:223968,O=C(C1CCCN(c2ncc(-c3cc(OC(F)(F)F)ccc3-c3ccccc3)cc2C(F)(F)F)C1)N1CCOCC1,YTSJZIDMKOPYKT-UHFFFAOYSA-N
-rxn:4:214029:224393,O=C(C1CCCN(c2ncc(-c3cc(C(F)(F)F)ccc3N3CCOCC3)cc2C(F)(F)F)C1)N1CCSCC1,GVSCFFAZTWPMPE-UHFFFAOYSA-N
-rxn:4:214029:229157,N#Cc1nccc(-c2cnc(N3CCCC(C(=O)N4CCSCC4)C3)c(C(F)(F)F)c2)n1,MOHHLBFIFWHEAE-UHFFFAOYSA-N
-rxn:4:214033:225466,CC(C)[C@H]1COC(c2cc(-c3ccc(N4CCCCC4C)cc3)cc(C3=N[C@@H](C(C)C)CO3)n2)=N1,ZNZCGMPKJBXSMN-UNLZERHLSA-N
-rxn:4:214033:226186,CC(C)[C@H]1COC(c2cc(-c3ccccc3C3CCOCC3)cc(C3=N[C@@H](C(C)C)CO3)n2)=N1,OGXMFUXUGHMERM-CLJLJLNGSA-N
-rxn:4:214033:227817,CC(C)Cc1ccccc1-c1cc(C2=N[C@@H](C(C)C)CO2)nc(C2=N[C@@H](C(C)C)CO2)c1,VLEIKOMOXGFLFG-JWQCQUIFSA-N
-rxn:4:214054:224600,Cc1ccc(-c2cc(F)c(-c3ccccc3S(=O)(=O)N3CCC(N4CC(=O)N(C5CC5)C4=O)CC3)cc2F)cc1,HSQYEWVAVKQOTR-UHFFFAOYSA-N
-rxn:4:214064:229084,CC(C)c1ncsc1-c1ccc(CN2CCN(S(C)(=O)=O)CC2)c(N2CCOCC2)c1,OSOMIXGHXXOPBF-UHFFFAOYSA-N
-rxn:4:214078:225543,CCCCC(=O)c1ccc(F)c(-c2ccc(CN3CCN(CC)CC3)c(N3CCCCC3)c2)c1,WIOSATIOZHKMFO-UHFFFAOYSA-N
-rxn:4:214144:223598,CC(C)(C)OC(=O)N1CCc2c(ncc(C#N)c2-c2ccc(OCCN3CCC4(CC3)OCCO4)c(F)c2)C1,WWHCVHMBZVQCDV-UHFFFAOYSA-N
-rxn:4:214147:223287,CNS(=O)(=O)c1ccc(-c2nc(C(F)(F)F)c3n2CCN(C(=O)OC(C)(C)C)C3)cc1,OSMVVBXAQHUTCK-UHFFFAOYSA-N
-rxn:4:214180:223582,COC(=O)c1ccc2cc(-c3ccc4cc(C5CN(C(=O)OC(C)(C)C)C5)nn4c3)n(C(=O)OC(C)(C)C)c2c1,ROCUJXOXDQVNDL-UHFFFAOYSA-N
-rxn:4:214182:224721,Cc1nn(CC(=O)OC(C)(C)C)c(C)c1-c1ccc2c(c1)c(OC(C)C(=O)N1CCCC1)nn2C,XMZRUGQGXZGQFS-UHFFFAOYSA-N
-rxn:4:214254:224360,COC(=O)c1ccc(-c2cnc3c(cnn3[Si](C(C)C)(C(C)C)C(C)C)c2)n1C(=O)OC(C)(C)C,ZHBAHVQZZINYDG-UHFFFAOYSA-N
-rxn:4:214284:223184,COc1ccc(F)cc1S(=O)(=O)N1C2CCC1CC(n1cc(-c3cnc(N4CCNCC4)nc3)cn1)C2,JPEFIDLWENMQAR-UHFFFAOYSA-N
-rxn:4:214338:225195,COc1ccc(CN2C(=O)CCC(n3c(=O)n(C)c4c(-c5ccc(F)c(OC6CCCCO6)c5)cccc43)C2=O)cc1,FDCGWXAGXDHUNI-UHFFFAOYSA-N
-rxn:4:214644:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2nc(OC(C)C)n(C3CCCCO3)n2)cc1,RLCKTSWHSSIKBX-UHFFFAOYSA-N
-rxn:4:214662:222584,Cn1ncc(C(=O)N2CCC(C(F)(F)F)CC2)c1-c1ccc(OCCCN2CCNCC2)c(F)c1,UEQLGEBARCFYIX-UHFFFAOYSA-N
-rxn:4:214716:222808,CCN1CCN(c2cc(-c3cc(C(=O)NC(C)C)cc([N+](=O)[O-])c3)c(F)cc2[N+](=O)[O-])CC1,DRIJSXHMPUHOGK-UHFFFAOYSA-N
-rxn:4:214752:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1nc(C(=O)N2CCN(C(C)C)CC2)ccc1F,ZCMZTPZLEDFJFN-UHFFFAOYSA-N
-rxn:4:214805:224627,CN(C)C1CN(C(=O)c2ccc(-c3ccc(N4CCCN(S(=O)(=O)C5CC5)CC4)nc3)cc2)C1,XRWRTZLJHPMIGA-UHFFFAOYSA-N
-rxn:4:214818:222916,O=C(NC1=NCCS1)c1cccc(-c2cnc(N3CCN(C(=O)C4CCCO4)CC3)c(Cl)c2)c1,HBHXXGQOBJDCCL-UHFFFAOYSA-N
-rxn:4:214821:223019,N#CCCNC(=O)c1cccc(-c2cnc(N3CCCN(S(=O)(=O)C4CC4)CC3)c(F)c2)c1,HLIDSLZKUIPAQF-UHFFFAOYSA-N
-rxn:4:214830:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2ccc(N3CCOC(C(=O)N4CCSCC4)C3)nc2)CC1,PFSAGHHEZFSGBQ-UHFFFAOYSA-N
-rxn:4:214830:226374,O=C(C1CN(c2ccc(-c3cncnc3C3CCCCC3)cn2)CCO1)N1CCSCC1,ADFDDXHYCQSHGF-UHFFFAOYSA-N
-rxn:4:214830:227390,O=C(C1CN(c2ccc(-c3ccnn3C3CCCCC3)cn2)CCO1)N1CCSCC1,KEWMOZKNOKNKGC-UHFFFAOYSA-N
-rxn:4:214837:226223,CCOCCOc1ccccc1-c1cnc(N2CCOC(C(=O)N3CCSCC3)C2)c(Cl)c1,KUSABIAITIHMDP-UHFFFAOYSA-N
-rxn:4:214839:227465,COCCOc1cncc(-c2cnc(N3CCOC(C(=O)N4CCSCC4)C3)c(F)c2)c1,QTKXKNNUSRBJJV-UHFFFAOYSA-N
-rxn:4:214839:227467,COCCOc1cnccc1-c1cnc(N2CCOC(C(=O)N3CCSCC3)C2)c(F)c1,POKLMUQQDWTNQH-UHFFFAOYSA-N
-rxn:4:214859:223493,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccc(S(=O)(=O)N2CCCC(c3ccn(C)n3)C2)cc1,AFWGOFJMEBBQNB-UHFFFAOYSA-N
-rxn:4:214862:226477,CCCCOc1ncc(Cl)cc1-c1cncc(C(=O)N2CCCN(C3CCSC3)CC2)c1,OVQKLWRJWJMSKX-UHFFFAOYSA-N
-rxn:4:214870:227213,CCCCSc1cncc(-c2cc(Cl)cnc2N2CCCC(C(=O)N3CCOCC3)C2)c1,UKUOFCHAPHUNFM-UHFFFAOYSA-N
-rxn:4:214871:227213,CCCCSc1cncc(-c2cnc(N3CCCC(C(=O)N4CCOCC4)C3)c(Cl)c2)c1,YBGAQMZBTTVINP-UHFFFAOYSA-N
-rxn:4:214873:222851,CCc1cc(-c2cnc(N3CCCC(C(=O)N4CCOCC4)C3)c(F)c2)cc(C2CCNCC2)n1,VFSQNQUONXPUNC-UHFFFAOYSA-N
-rxn:4:214873:227212,CCCCOc1ncccc1-c1cnc(N2CCCC(C(=O)N3CCOCC3)C2)c(F)c1,FVBOWLHPIVGLBY-UHFFFAOYSA-N
-rxn:4:214873:227213,CCCCSc1cncc(-c2cnc(N3CCCC(C(=O)N4CCOCC4)C3)c(F)c2)c1,DGDCXVYOSVHJDO-UHFFFAOYSA-N
-rxn:4:215054:222945,CC(C)NS(=O)(=O)c1ccc(-c2ncn3c2CCN(C(=O)OC(C)(C)C)C3=O)cc1F,MYMZFUMIJJOCFI-UHFFFAOYSA-N
-rxn:4:215066:222752,Cc1cc(NC(=O)OC(C)(C)C)ccc1-c1cnn2c1N(C(=O)OC(C)(C)C)CCC2,SRQHKXXAGMOULB-UHFFFAOYSA-N
-rxn:4:215098:222945,CC(C)NS(=O)(=O)c1ccc(-c2nn(C)c3c2CN(C(=O)OC(C)(C)C)CC3)cc1F,RAASXDOZIGPENE-UHFFFAOYSA-N
-rxn:4:215102:222913,CC(C)(C)OC(=O)N1CCc2nc(-c3ccc(CNS(=O)(=O)C4CC4)cc3)cn2CC1,MWJCOIDTJYJGRR-UHFFFAOYSA-N
-rxn:4:215102:223527,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)ccc2-c2cn3c(n2)CCN(C(=O)OC(C)(C)C)CC3)CC1,JAAXMHADFDCGKW-UHFFFAOYSA-N
-rxn:4:215105:222634,CC(C)(C)OC(=O)N1Cc2c(-c3ccc(OCCNC4CCCC4)c(F)c3)n[nH]c2C1(C)C,MADVLFJRKZVQEF-UHFFFAOYSA-N
-rxn:4:215142:223743,Cc1ccc(-c2ccc3c(ccn3CC(=O)N3CCN(C)CC3)c2)cc1OCCCN1CCC(C)CC1,ACVNPZRLFZPYHF-UHFFFAOYSA-N
-rxn:4:215148:225269,COC(=O)c1ccc(-c2ncc3n2CC(C)(C)N(C(=O)OC(C)(C)C)C3)c(C(=O)OC)c1,IJYGMCKXLIDREM-UHFFFAOYSA-N
-rxn:4:215170:224618,CC(C)(C)[Si](C)(C)OCc1cc(-c2cncc(C(=O)N3CC(N4C(=O)C5CC=CCC5C4=O)C3)c2)ccn1,HJOMUXZXWXHCNF-UHFFFAOYSA-N
-rxn:4:215296:222851,CCCN1CCC2(CC1)Oc1ccc(-c3cc(CC)nc(C4CCNCC4)c3)cc1C1CC(c3ccccc3)=NN12,JMZMHKYGUTXWFG-UHFFFAOYSA-N
-rxn:4:215300:225390,CC(C)Cc1cc(-c2ccc3c(c2)C2CC(c4ccco4)=NN2C2(CCN(Cc4ccccc4)CC2)O3)cc(C2CC2)c1,VMTPHJCDZBKMPK-UHFFFAOYSA-N
-rxn:4:215955:223834,Cc1cc(-c2cnccc2N2CCC(N(C)C)CC2)cc(C)c1S(=O)(=O)N1CCN(C)CC1,BXXXGZNVUJGPIL-UHFFFAOYSA-N
-rxn:4:215970:223491,CSc1ncc(-c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)cc(C(F)(F)F)c2)c(N2CCC3(CC2)OCCO3)n1,MHYXMALNKDRWFV-UHFFFAOYSA-N
-rxn:4:216219:224325,CN1C2CCC1CC(Oc1ncc(-c3ccc(C4=CCN(S(C)(=O)=O)CC4)cc3)cn1)C2,ZOMAWUCTGWOWNE-UHFFFAOYSA-N
-rxn:4:216242:223648,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccccc3N3C(=O)C(=Cc4nc5ccccc5[nH]4)SC3=S)cc2)CC1,YIFGLHGUPUNJAI-UHFFFAOYSA-N
-rxn:4:216319:224325,Cc1cc(C)n(C(=O)C2=C3CCCN3c3cc(-c4ccc(C5=CCN(S(C)(=O)=O)CC5)cc4)ccc3S2(=O)=O)n1,UULLQHJSVZVOBC-UHFFFAOYSA-N
-rxn:4:216351:224364,CCC(=O)N1CCc2c([nH]c3ccccc23)C12C(=O)N(C)c1ccc(-c3cc(OCC(C)C)cc(OC(F)(F)F)c3)cc12,USTNAAYXXZAQCB-UHFFFAOYSA-N
-rxn:4:217040:223528,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3c[nH]c(N4CCOCC4)n3)ccc2F)CC1,WMRBDRBECLFBIE-UHFFFAOYSA-N
-rxn:4:217040:223529,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3c[nH]c(N4CCOCC4)n3)cc2F)CC1,PUIQKZXOKBHLOL-UHFFFAOYSA-N
-rxn:4:217040:223531,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3c[nH]c(N4CCOCC4)n3)cc2Cl)CC1,LPJLRXCACDCKJJ-UHFFFAOYSA-N
-rxn:4:217040:223536,CC(C)(C)OC(=O)N1CCN(c2cc(-c3c[nH]c(N4CCOCC4)n3)cc(F)c2F)CC1,UYIUAPAMCZCTJK-UHFFFAOYSA-N
-rxn:4:217134:223520,CC(c1ccc(-c2cc(N3CCC(F)(F)CC3)ncn2)cc1)N1CCN(C(=O)OC(C)(C)C)CC1,MEMMRXYESWZDST-UHFFFAOYSA-N
-rxn:4:217792:223683,CC(C)(C)OC(=O)N1CCC(Oc2ncc(-c3csc4c(N5CCOCC5)nc(Cl)nc34)cn2)C1,ZPZSUUSEPGZTAS-UHFFFAOYSA-N
-rxn:4:217862:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3ccc4ncc(N5CCOCC5)nc4c3)c2Cl)CC1,ZVLZBDIPEGLJQU-UHFFFAOYSA-N
-rxn:4:217906:224730,CC(C)COc1ccc(C(F)(F)F)cc1-c1ccc2c(c1)C1CC(c3ccccc3)=NN1C1(CCN(C)CC1)O2,JCJMUXVRPANCCY-UHFFFAOYSA-N
-rxn:4:218582:222703,O=C(Cc1cccnc1)N1CCCC(COc2ncc(-c3ccc(C(F)(F)F)c(C4CCNCC4)c3)cn2)C1,QXDRVOFINUIRCT-UHFFFAOYSA-N
-rxn:4:218590:224197,CCN1CCN(Cc2ccc(-c3cnc(OCC4CCCN(S(=O)(=O)c5ccccc5C#N)C4)nc3)cc2F)CC1,VFTCKBCQAHYWPE-UHFFFAOYSA-N
-rxn:4:218600:225984,CC(C)(C)OC(=O)N1CCN(CCn2cc(-c3cnc(Cl)c(N4CCOCC4)c3)cn2)CC1,LRIBACFQUYCVEK-UHFFFAOYSA-N
-rxn:4:218604:225172,COc1ccc(C(=O)N2CCC(COc3ncc(-c4cc(CN5CCOCC5)ccc4F)cn3)CC2)cn1,HKJSCOFPABDBKN-UHFFFAOYSA-N
-rxn:4:218652:227037,CN(CC1CCN(C(=O)OC(C)(C)C)CC1)c1cnc(-c2cc(C#N)ccc2C2CC2)cn1,QTWCSOXSAGJOQW-UHFFFAOYSA-N
-rxn:4:218664:223523,CCN1CCN(S(=O)(=O)c2ccc(-c3cnc(OCC4CCCN(C(=O)c5ccc(N(C)C)cc5)C4)nc3)c3ccccc23)CC1,RIGZAYRDSXGVJZ-UHFFFAOYSA-N
-rxn:4:218682:224759,CC(=O)N1CCC(C(=O)N2CCCC(COc3ncc(-c4cc(F)cc(C(=O)N5CCOCC5)c4)cn3)C2)CC1,MDXLFDOGBWHDAM-UHFFFAOYSA-N
-rxn:4:218687:226888,CC(C)(C)c1ccc(OCC2CCN(C(=O)c3cncc(-c4cc(Cl)c(F)c(C(F)(F)F)c4)c3)CC2)nn1,VRFFHJDCHOKBGU-UHFFFAOYSA-N
-rxn:4:218695:226473,Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCn3nc(C)c(-c4cccnc4OCCN(C)C)c3C)CC2)cc1,AFALYFYCGWVGPV-UHFFFAOYSA-N
-rxn:4:218704:223534,Cc1cc(Cl)ccc1OCC(=O)N1CCCN(c2cc(-c3ccc(-c4cc(OC5CCN(C(=O)OC(C)(C)C)CC5)ncc4F)cc3)n[nH]2)CC1,LVKZKLCFARAMQU-UHFFFAOYSA-N
-rxn:4:218711:223904,CC(C)(C)OC(=O)N1CCN(C2CCN(c3ccc([N+](=O)[O-])cc3-c3cccc(C4CN(C(=O)OC(C)(C)C)C4)c3)CC2)CC1,JULCXXKWWYFIRV-UHFFFAOYSA-N
-rxn:4:218711:226623,CC(C)(C)OC(=O)N1CCN(C2CCN(c3ccc([N+](=O)[O-])cc3-c3cnc(-c4cccnc4)nc3)CC2)CC1,KJQNDYYEMKBAEG-UHFFFAOYSA-N
-rxn:4:218711:227725,CC(C)(C)OC(=O)N1CCN(C2CCN(c3ccc([N+](=O)[O-])cc3-c3cnc(-n4ccnc4)nc3)CC2)CC1,PILJBAKIXNGIES-UHFFFAOYSA-N
-rxn:4:218718:224162,COC(=O)Cc1c(C(=O)OC)nnc2c(-c3ccc(-c4ccc5c(c4)N(C(=O)OC(C)(C)C)CC5)cc3)c(C)nn12,MXCKZJPOVMWVHG-UHFFFAOYSA-N
-rxn:4:218824:225440,CN(CC1CN(c2ncc(-c3ccc(C4(C#N)CCCC4)cc3)cn2)C1)S(=O)(=O)C1CC1,LMIUMMUXOGEMDF-UHFFFAOYSA-N
-rxn:4:218867:224953,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3ccc(OCC4CCCCC4)nc3)c2)no1,BLECSIGMQYGQON-UHFFFAOYSA-N
-rxn:4:218867:226619,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3cnc(N4CCCC4)nc3C)c2)no1,IDGUODRMUSZTGV-UHFFFAOYSA-N
-rxn:4:218867:226649,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3cccnc3N3CCOCC3)c2)no1,QMFNBERCYQNUMO-UHFFFAOYSA-N
-rxn:4:218868:225806,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3cnc(OC4CCCC4)cc3F)cc2)no1,ARKVHJQZWGXLLQ-UHFFFAOYSA-N
-rxn:4:218868:226364,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3ccc(N4CCCCC4)nc3)cc2)no1,NUQFHZQUQOVBKP-UHFFFAOYSA-N
-rxn:4:218876:224714,CCCCOc1ccc(-c2ccc(C(=O)N3CCC(Oc4cncc(N(C)C)n4)C3)o2)cc1C(F)(F)F,KOTNVANZMNIOCW-UHFFFAOYSA-N
-rxn:4:218887:223786,Cc1oncc1C(=O)N1CCC(COc2ncc(-c3ccc(OCCCN4CCN(C)CC4)c(Cl)c3)cn2)CC1,ZSOHJFMQMBFRDL-UHFFFAOYSA-N
-rxn:4:218887:224196,CCN1CCN(Cc2cc(F)cc(-c3cnc(OCC4CCN(C(=O)c5cnoc5C)CC4)nc3)c2)CC1,STRSWFKPNNUATM-UHFFFAOYSA-N
-rxn:4:218914:223533,Cc1nc(CN2CCC(COc3ncc(-c4ccc(CN5CCN(C(=O)OC(C)(C)C)CC5)cc4F)cn3)CC2)cs1,ROLBPOPYOHTMJE-UHFFFAOYSA-N
-rxn:4:218919:224775,Cc1cc(=O)n(CC(=O)N2CCC(Oc3ccncc3-c3cnc(C(F)(F)F)c(C4CCCC4)c3)C2)cn1,SDKHCRVNDVCLLG-UHFFFAOYSA-N
-rxn:4:218944:227121,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3ccc(C(C)(C)C)cc3Cl)cc2[N+](=O)[O-])CC1,ZLQVDGGZQXQGAW-UHFFFAOYSA-N
-rxn:4:218944:227333,CC(C)Oc1ccc(Cl)c(-c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)c([N+](=O)[O-])c2)c1,AEZRNQSTGSZFPM-UHFFFAOYSA-N
-rxn:4:219013:224863,CC1CN(c2c(-c3ccccc3CN(C(C)C)C(C)C)cncc2[N+](=O)[O-])CCN1C(=O)OC(C)(C)C,DRVVVRPQDCOOFK-UHFFFAOYSA-N
-rxn:4:219016:223553,CN(c1ncccc1C(F)(F)F)C1CCCN(C(=O)c2cncc(-c3ccc(-c4ccc(O[Si](C)(C)C(C)(C)C)cc4)cc3)c2)C1,XIXAPQJJQVZXIM-UHFFFAOYSA-N
-rxn:4:219043:224811,CC1CN(Cc2nn(C)cc2-c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)CCN1C(=O)OC(C)(C)C,WFFUMXAUEDUWID-UHFFFAOYSA-N
-rxn:4:219053:223009,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cncc(-c4cc(Cl)cc(C5CCNCC5)c4)c3)cn2)CC1,NKILFIVLOMVLJC-UHFFFAOYSA-N
-rxn:4:219053:225976,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cncc(-c4ccnc(N5CCOCC5)c4F)c3)cn2)CC1,WQQINHZWMYPZPF-UHFFFAOYSA-N
-rxn:4:219062:225232,Cc1nn(C(C)C)c(C)c1S(=O)(=O)N1CCC(Oc2ncccc2-c2cnc(Cl)c(N3CCC(C)CC3)c2)C1,FBDUUMGWBZJJLV-UHFFFAOYSA-N
-rxn:4:219065:223896,COc1ccc(-c2cc(N3CCN(C(=O)c4cccc(-c5cccc(OC)c5C(=O)N(C(C)C)C(C)C)c4)CC3)[nH]n2)cc1,OHSUUEHUCSKZBG-UHFFFAOYSA-N
-rxn:4:219078:227009,CCC(C)Oc1ccccc1-c1ccccc1C(=O)N1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2)CC1,SDQMVECFNHXNHB-UHFFFAOYSA-N
-rxn:4:219088:224458,CCCCn1c(=O)c2c(nc(-c3ccc(C(C)N4CCC(C)CC4)cc3)n2CC(C)=O)n(C)c1=O,RKXKCMOPEZFJAS-UHFFFAOYSA-N
-rxn:4:219134:223969,CC1CCN(c2ccc(C(F)(F)F)cc2-c2ccccc2CC(=O)N2CC3CN(c4ccc(C#N)cn4)CC3C2)CC1,UHIZXYZQMIVLJN-UHFFFAOYSA-N
-rxn:4:219247:223838,Cc1ncsc1C(=O)N1CC(Cn2cc(-c3ccc(N4CCN(S(=O)(=O)N(C)C)CC4)cc3)cn2)C1,ACTCLRQXISKHTN-UHFFFAOYSA-N
-rxn:4:219336:224458,CC1CCN(C(C)c2ccc(-c3cnn(CC4CN(C(=O)N5CCOCC5)C4)c3)cc2)CC1,PRQVDFUPBKYLLL-UHFFFAOYSA-N
-rxn:4:219340:223522,CC(C)(C)[Si](C)(C)OC1CCN(c2cc(F)cc(-c3ccc(C(=O)N4CCC(n5cc(C6CC6)nn5)C4)o3)c2)CC1,OZABFFLKCUKEKO-UHFFFAOYSA-N
-rxn:4:219371:223659,CC(C)(C)OC(=O)N1CCC(Cn2cc(-c3nncn3C3CCN(C(=O)OC(C)(C)C)CC3)cn2)CC1,QWAFOAAIQRPBRP-UHFFFAOYSA-N
-rxn:4:219386:224015,Cc1cc(F)c(-c2cnccc2OC2CCN(C(=O)c3ccc(=O)n(C)n3)C2)cc1S(=O)(=O)N1CCOCC1,CZHGWDRMLWOLQO-UHFFFAOYSA-N
-rxn:4:219402:225877,CC(C)(C)OC(=O)N1CCN(c2cnc(-c3ccc(Cl)cc3N3CCOCC3)cn2)CC1,FCRRYEXVLKQOON-UHFFFAOYSA-N
-rxn:4:219499:225348,COC(=O)c1ccc(C(F)(F)F)cc1-c1cnc(N2CCCC(C(=O)N3CCOCC3)C2)c(C#N)c1,MDTVRRSANRKMOC-UHFFFAOYSA-N
-rxn:4:219524:224367,Cc1cc(C)nc(OC2CCCN(C(=O)c3cncc(-c4ccc(OC(F)(F)F)c(OCC(C)C)c4)c3)C2)n1,PUPJVWPAYGBCFO-UHFFFAOYSA-N
-rxn:4:219565:227657,Cc1cc(C)c(C#N)c(N2CCCN(S(=O)(=O)c3ccc(-c4ccc(N5CCOCC5)s4)cc3)CC2)n1,ZVDAVDRTMYXDDW-UHFFFAOYSA-N
-rxn:4:219621:223974,CC(=O)Cn1c(-c2ccc(N3CCC(C)CC3)cc2C(F)(F)F)nc2c1c(=O)n(Cc1ccccc1Cl)c(=O)n2C,XXMQGNZYKBEHKL-UHFFFAOYSA-N
-rxn:4:219653:225232,CC1CCN(c2cc(-c3ccc4nc(N5CCN(C(=O)OC(C)(C)C)CC5)sc4n3)cnc2Cl)CC1,KFUTXMCRMXCMMU-UHFFFAOYSA-N
-rxn:4:219653:225233,CC1CCCN(c2cc(-c3ccc4nc(N5CCN(C(=O)OC(C)(C)C)CC5)sc4n3)cnc2Cl)C1,HAFLAJRQLSGUJB-UHFFFAOYSA-N
-rxn:4:219653:225978,CC(C)(C)OC(=O)N1CCN(c2nc3ccc(-c4ccc(N5CCOCC5)nc4F)nc3s2)CC1,OZAXDXFXDKOSNS-UHFFFAOYSA-N
-rxn:4:219654:225233,CC1CCCN(c2cc(-c3cc4c(N5CCN(C(=O)OC(C)(C)C)CC5)ncnc4s3)cnc2Cl)C1,NOOYQEUKDHERNB-UHFFFAOYSA-N
-rxn:4:219667:223696,O=C(c1ccccc1-c1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1)N1CCN(S(=O)(=O)c2cccc3nsnc23)CC1,QUWLWZBPSYRFKB-UHFFFAOYSA-N
-rxn:4:219688:225915,CCOc1cc(-c2ccc3nc(C4CCN(C(=O)OC(C)(C)C)CC4)nn3c2)ccc1C(F)(F)F,QXWVVPOXCCZZMP-UHFFFAOYSA-N
-rxn:4:219688:225984,CC(C)(C)OC(=O)N1CCC(c2nc3ccc(-c4cnc(Cl)c(N5CCOCC5)c4)cn3n2)CC1,QEJOBOBETLXXOC-UHFFFAOYSA-N
-rxn:4:219690:223168,CC(C)(C)OC(=O)N1CCC(n2nnc3cc(F)c(-c4cccnc4N4CCNCC4)cc32)CC1,NMDNGLXLJNWVRZ-UHFFFAOYSA-N
-rxn:4:219690:226663,CC(C)(C)OC(=O)N1CCC(n2nnc3cc(F)c(-c4ccc(N5CCSCC5)nc4)cc32)CC1,GWRDHIZRQCEUSM-UHFFFAOYSA-N
-rxn:4:219691:223167,CC(C)(C)OC(=O)N1CCCC(c2cc(Cl)n3ncc(-c4ccnc(N5CCNCC5)c4)c3n2)C1,DBXIYTMNHDIQAO-UHFFFAOYSA-N
-rxn:4:219691:226645,CC(C)(C)OC(=O)N1CCCC(c2cc(Cl)n3ncc(-c4ccnc(N5CCOCC5)c4)c3n2)C1,SQOUJKKMVQGAGD-UHFFFAOYSA-N
-rxn:4:219704:225233,CC1CCCN(c2cc(-c3ccc4ncc(N5CCN(C(=O)OC(C)(C)C)CC5)nc4c3)cnc2Cl)C1,FXVUQSOXILNONO-UHFFFAOYSA-N
-rxn:4:219707:227432,Cc1nc(C2COC2)ccc1-c1c(Cl)cc2c(N3CCN(C(=O)OC(C)(C)C)CC3)ncnc2c1F,XAHIIEMAMHASCW-UHFFFAOYSA-N
-rxn:4:219745:224247,COc1ccc(-c2ccc(C(=O)N3CCC(C)CC3)cc2F)c(C(=O)N2CCC(n3cnc4ncccc4c3=O)CC2)c1,YYCJAQRPYIDQJY-UHFFFAOYSA-N
-rxn:4:219759:225877,CCN1CCN(C(=O)c2cc3n(n2)CC(c2ccc(-c4ccc(Cl)cc4N4CCOCC4)cc2)OC3)CC1,SXDGWMNCDOLAHE-UHFFFAOYSA-N
-rxn:4:219910:223671,Cn1ccnc(N2CCC(Oc3ccncc3-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)C2)c1=O,OGLQETCZWJDTSQ-UHFFFAOYSA-N
-rxn:4:219956:223787,Cc1ncnc(N2CCC(Oc3ccncc3-c3ccc(OCCCN4CCN(C)CC4)c(F)c3)C2)c1C,PHZNTYNOFBVPFA-UHFFFAOYSA-N
-rxn:4:219959:224196,CCN1CCN(Cc2cc(F)cc(-c3cnc(N4CCOC(C(=O)N5CCOCC5)C4)nc3)c2)CC1,USMJXHKBRKBZTJ-UHFFFAOYSA-N
-rxn:4:219959:225716,COCCOCc1cc(F)ccc1-c1cnc(N2CCOC(C(=O)N3CCOCC3)C2)nc1,JFKGXEYUNDGBBJ-UHFFFAOYSA-N
-rxn:4:219959:226256,CCCCOc1cc(F)ccc1-c1cnc(N2CCOC(C(=O)N3CCOCC3)C2)nc1,IRMXPBHTZNEBGF-UHFFFAOYSA-N
-rxn:4:219959:226476,CCCCOc1ncc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)nc2)cc1Cl,QPFGCQSLUWDQMN-UHFFFAOYSA-N
-rxn:4:219959:226477,CCCCOc1ncc(Cl)cc1-c1cnc(N2CCOC(C(=O)N3CCOCC3)C2)nc1,JBYOWRAHNHJPBB-UHFFFAOYSA-N
-rxn:4:219959:226479,CCCCOc1nccc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)nc2)c1Cl,XXULILHODYXCML-UHFFFAOYSA-N
-rxn:4:219959:226484,COCCOc1cc(Cl)ccc1-c1cnc(N2CCOC(C(=O)N3CCOCC3)C2)nc1,ASLOSWKPSYNVLJ-UHFFFAOYSA-N
-rxn:4:219959:226491,COCCOc1cc(Cl)cc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)nc2)c1,AWAPITZGUQABGL-UHFFFAOYSA-N
-rxn:4:219975:226252,CCCCOc1cc(Cl)ccc1-c1cnc(N2CCOC(C(=O)N3CCCCC3)C2)nc1,PZAYMIFABSMLJR-UHFFFAOYSA-N
-rxn:4:219975:226256,CCCCOc1cc(F)ccc1-c1cnc(N2CCOC(C(=O)N3CCCCC3)C2)nc1,ZOICSRZFYDTLSK-UHFFFAOYSA-N
-rxn:4:219975:226257,CCCCOc1ccc(F)cc1-c1cnc(N2CCOC(C(=O)N3CCCCC3)C2)nc1,QWJAOIHFGBTGSG-UHFFFAOYSA-N
-rxn:4:219975:226476,CCCCOc1ncc(-c2cnc(N3CCOC(C(=O)N4CCCCC4)C3)nc2)cc1Cl,BNPWODAYHMFMJZ-UHFFFAOYSA-N
-rxn:4:219975:226479,CCCCOc1nccc(-c2cnc(N3CCOC(C(=O)N4CCCCC4)C3)nc2)c1Cl,YLDXAJHODKKHAX-UHFFFAOYSA-N
-rxn:4:219988:226250,CCCCOc1ccc(Cl)c(-c2cnc(N3CCCC(C(=O)N4CCOCC4)C3)nc2)c1,IALPHSHRTXHEJS-UHFFFAOYSA-N
-rxn:4:219988:226252,CCCCOc1cc(Cl)ccc1-c1cnc(N2CCCC(C(=O)N3CCOCC3)C2)nc1,NMEZVUBAUYQLMB-UHFFFAOYSA-N
-rxn:4:219988:226255,CCCCOc1ccc(Cl)cc1-c1cnc(N2CCCC(C(=O)N3CCOCC3)C2)nc1,IZWGSVVFPQWVKL-UHFFFAOYSA-N
-rxn:4:219988:226256,CCCCOc1cc(F)ccc1-c1cnc(N2CCCC(C(=O)N3CCOCC3)C2)nc1,KTTLRCCVPDWTCW-UHFFFAOYSA-N
-rxn:4:219988:226257,CCCCOc1ccc(F)cc1-c1cnc(N2CCCC(C(=O)N3CCOCC3)C2)nc1,YCSIJZYQMNKNNC-UHFFFAOYSA-N
-rxn:4:219988:226283,CC(C)COc1ccc(F)c(-c2cnc(N3CCCC(C(=O)N4CCOCC4)C3)nc2)c1,YLOHJMFFIXRFLN-UHFFFAOYSA-N
-rxn:4:220209:225219,CC1CCCCN1c1cc(F)c(-c2ccccc2S(=O)(=O)N2CCCc3cnc(N4CCOCC4)nc32)cn1,YVSOBNIZGMZQJD-UHFFFAOYSA-N
-rxn:4:220224:223572,CC1CCN(S(=O)(=O)c2ccc(-c3ccc(C4Cn5nnc(C(=O)N6CCCCCC6)c5CO4)cc3)c3ccccc23)CC1,ONNFNBCXFJQNFB-UHFFFAOYSA-N
-rxn:4:220396:223784,CCN1CCN(CCOc2ccc(-c3cnc(N4CCN(C)C(=O)C4)c([N+](=O)[O-])c3)cc2F)CC1,VOGCGSAMBUCMKG-UHFFFAOYSA-N
-rxn:4:220413:223992,Cc1ccc(-c2cnc(N3CCC(N(C)C)CC3)nc2)cc1S(=O)(=O)N1CCN(C)CC1,CNVGUQVSAZBBHE-UHFFFAOYSA-N
-rxn:4:220413:223993,Cc1cc(-c2cnc(N3CCC(N(C)C)CC3)nc2)ccc1S(=O)(=O)N1CCN(C)CC1,KKBPZXJPUNMIDC-UHFFFAOYSA-N
-rxn:4:220467:223602,CCc1nnc2n1N=C(c1ccc(-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3Cl)cc1)CS2,DMVTZUGMOWCJGV-UHFFFAOYSA-N
-rxn:4:220507:223671,CN1CCN(C(=O)c2cnc3ccc(-c4ccnc(N5CCN(C(=O)OC(C)(C)C)CC5)c4)cn23)CC1,RHHSZUWKOZSNAA-UHFFFAOYSA-N
-rxn:4:220533:224916,Cc1cc(N2CCCC(C)C2)ccc1-c1cnc(N2CC(N3CC4CCCC4C3)C2)nc1,INFNJBZZVRYYSQ-UHFFFAOYSA-N
-rxn:4:221112:223255,CCOc1ccc(-c2cccc(C(=O)NOC)c2)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N(C)C)n2)CC1,OTQNDADNJKNIJD-UHFFFAOYSA-N
-rxn:4:221149:223568,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(Cl)c(-c3cnc(OCC4CCCN(c5ccc(C#N)cn5)C4)nc3)cnc21,SJMWFAHXPHDCDB-UHFFFAOYSA-N
-rxn:4:221175:223717,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4ccccc4COc4cccc5ccccc45)cn3)C2)C(=O)C1=O,URKMKRNDBIQCDT-UHFFFAOYSA-N
-rxn:4:221175:224124,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4cnc(N(C)Cc5ccccc5)c(C)c4)cn3)C2)C(=O)C1=O,ZHNHWGVZFJIGJX-UHFFFAOYSA-N
-rxn:4:221175:227051,CCC(=O)c1ccc(-c2cnc(OC3CCN(C(=O)N4CCN(CC)C(=O)C4=O)C3)nc2)c(C)c1,XYWOIUAVGCIXAT-UHFFFAOYSA-N
-rxn:4:221177:223522,CC(C)(C)[Si](C)(C)OC1CCN(c2cc(F)cc(-c3cnc(N4CCC(COc5cc(C6CC6)ncn5)CC4)nc3)c2)CC1,ATOVICFBLODTIU-UHFFFAOYSA-N
-rxn:4:221178:223522,CC(C)(C)[Si](C)(C)OC1CCN(c2cc(F)cc(-c3cnc(N4CCC(COc5ccc(C6CC6)nn5)CC4)nc3)c2)CC1,IUZWHLLOKWJUJR-UHFFFAOYSA-N
-rxn:4:221179:224127,CCN1CCN(C(C)c2ccc(-c3cnc(OCC4CCCN(c5ccnc(C6CC6)n5)C4)nc3)cc2)CC1,NMHKDOIDKJCQMX-UHFFFAOYSA-N
-rxn:4:221179:224286,Clc1cc(-c2cnc(OCC3CCCN(c4ccnc(C5CC5)n4)C3)nc2)ccc1OCCN1CCOCC1,UUAYXYCWDRROSV-UHFFFAOYSA-N
-rxn:4:221179:224612,c1cc(N2CCCC(COc3ncc(-c4ccc(OCCN5CCOCC5)cc4)cn3)C2)nc(C2CC2)n1,FHBWXTQXRCAWBJ-UHFFFAOYSA-N
-rxn:4:221180:223755,Cc1cc(C(=O)N2CCC(COc3ncc(-c4ccc(OCCCN5CCC(C)CC5)c(F)c4)cn3)CC2)nn1C,QYCWIAYUNBLUPG-UHFFFAOYSA-N
-rxn:4:221190:223682,O=C(c1ccc(-c2c(C(F)(F)F)ccc3c2cnn3C2CCCCO2)o1)N1CCN(c2ccc(-c3noc(C4CC4)n3)cn2)CC1,DTGCKZMCFYJCMA-UHFFFAOYSA-N
-rxn:4:221202:228200,O=C(c1ccccc1-c1ccnn1C1CCCC1)N1CCN(Cc2nncn2C2CCCCC2)CC1,PRTJIBUSUGTQCM-UHFFFAOYSA-N
-rxn:4:221205:222846,N#Cc1ccc(C2CCCNC2)cc1-c1ccc(CCN2CCN(c3ccnc(N4CCOCC4)n3)CC2)cc1,MTFAHHSMKDKUGB-UHFFFAOYSA-N
-rxn:4:221230:222612,N#Cc1cc2c(nc1N1CCCC(COc3ncc(-c4cc(S(=O)(=O)N5CCC(O)CC5)ccc4F)cn3)C1)CCC2,KXGDELLAEPHVQL-UHFFFAOYSA-N
-rxn:4:221232:223177,CS(=O)(=O)NCc1ccc(-c2cnc(OCC3CCCN(c4nc5c(cc4C#N)COCC5)C3)nc2)cc1,JIYXXTRTVMXEPG-UHFFFAOYSA-N
-rxn:4:221238:222603,COc1cc(-c2cccc(N3CCN(CCCn4nc5ccccn5c4=O)CC3)c2)c(Cl)cc1NC(=O)OC(C)(C)C,ABJWVTLUHYCAFV-UHFFFAOYSA-N
-rxn:4:221245:222634,Cc1nc2ccc(OCC3CCN(C(=O)c4cncc(-c5ccc(OCCNC6CCCC6)c(F)c5)c4)CC3)nn2c1C,JFHHRZVZJZDMEN-UHFFFAOYSA-N
-rxn:4:221249:225300,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc4c(-c5ccc(OC6CCOCC6)nc5F)cnn4c3)cc2)CC1,PWMZOGHXJQIVPG-UHFFFAOYSA-N
-rxn:4:221401:223832,COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1-c1cccc(CN2CCN(c3nccc(N(C)C)n3)CC2)c1,LIADNZOEFBWRMS-UHFFFAOYSA-N
-rxn:4:221408:224155,CN1CCN(c2cc(-c3ccc(CN4CCN(c5nccc(N(C)C)n5)CC4)cc3)cc(C3CC3)c2)CC1,WQWVFCFEPWSADC-UHFFFAOYSA-N
-rxn:4:221435:226537,CCOC(=O)c1ccc(-c2cccc(C(=O)N3CCN(c4ccc(N5CCCCC5)nn4)CC3)c2)cc1Cl,DULHGKMVVJIFQE-UHFFFAOYSA-N
-rxn:4:221441:223135,Cc1cc(N2CCOCC2)nc(N2CCN(Cc3cccc(-c4cccnc4C4CCCNC4)c3)CC2)n1,KBWIKJKQPNGWSO-UHFFFAOYSA-N
-rxn:4:221442:222714,Cc1nc(N2CCOCC2)cc(N2CCN(Cc3ccccc3-c3cc(NC(=O)OC(C)(C)C)cc(F)c3F)CC2)n1,HIWOFJXQZWFXDP-UHFFFAOYSA-N
-rxn:4:221444:223114,CCCNC(=O)c1cccc(-c2ccccc2CN2CCN(c3nc(C)cc(N4CCOCC4)n3)CC2)c1,PENDIJHJTNFWOE-UHFFFAOYSA-N
-rxn:4:221447:223842,Cc1cc(N2CCN(Cc3ccc(-c4cc(F)c(F)cc4S(=O)(=O)N4CCC(C)CC4)cc3)CC2)nc(N2CCOCC2)n1,WSOJENKPEWNAKP-UHFFFAOYSA-N
-rxn:4:221492:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(C(=O)N4CCC(c5nnc6ccc(OC)nn56)CC4)o3)c(F)c2)CC1,SPMOYVAVMGWPOF-YHBQERECSA-N
-rxn:4:221520:223975,CC(C)(C)OC(=O)n1cc(-c2cnc(N3CCC(COc4cc5c(nn4)CCCC5)CC3)nc2)c2nc(Cl)ccc21,QEKAYRGISQIMJH-UHFFFAOYSA-N
-rxn:4:221522:223670,COc1ccc2c(=O)n(CC3CCN(c4ncc(-c5cccnc5N5CCN(C(=O)OC(C)(C)C)CC5)cn4)CC3)cnc2c1,FHFDWRHPVYSHOV-UHFFFAOYSA-N
-rxn:4:221633:224011,Cc1ccnc(N2CCN(c3ncc(C(F)(F)F)cc3-c3ccc(S(=O)(=O)N4CCN(C)CC4)c(F)c3)CC2)n1,GHPRBUUHTAIBMF-UHFFFAOYSA-N
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-rxn:5:177191:223002:225601,N#CC1(c2ccc(-c3ccc(CC(=O)C4CC4)c(-c4ccc(C5CCNCC5)cc4F)c3)c(F)c2)CCC1,YDCQPAXCNNRYPW-UHFFFAOYSA-N
-rxn:5:177373:227803:225623,CN(C)S(=O)(=O)n1nccc1-c1cc(-c2cccc(OC3CCOCC3)c2)ccc1OCC1OCCO1,IZTIQEXMLLSTPT-UHFFFAOYSA-N
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-rxn:5:177729:225834:223294,CC(C)(C)OC(=O)c1ccc(-c2cc(N3CCCCC3)ncc2F)cc1-c1csc(N2CCNCC2)n1,XWBXDCAYCCZTLO-UHFFFAOYSA-N
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-rxn:5:177730:225926:226573,Cc1nc(OC(C)(C)C)ncc1-c1ccc(-c2ccc(S(=O)(=O)N3CCC3)cc2)cc1C(=O)OC(C)(C)C,CCOCPARVLMWZAC-UHFFFAOYSA-N
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-rxn:5:177731:223294:223064,CC(C)(C)OC(=O)c1ccc(-c2ccc(C3CCNCC3)nc2F)cc1-c1csc(N2CCNCC2)n1,QEDQJGFZXRDUNO-UHFFFAOYSA-N
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-rxn:5:177734:225591:226794,Cc1cc(-c2cc(CN3CCCC3)ccc2F)c(-c2cnc(N3CCSCC3)nc2)cc1C(=O)OC(C)C,WVOLMPBKHZEFMD-UHFFFAOYSA-N
-rxn:5:177736:225595:226794,CC(C)(C)OC(=O)c1ccc(-c2cnc(N3CCSCC3)nc2)c(-c2ccc(F)c(CN3CCCC3)c2)c1,KKYRVOAPEKLBOR-UHFFFAOYSA-N
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-rxn:5:177891:226324:223295,CS(=O)(=O)Nc1cncc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2cccnc2OC2CCCC2)c1,GCTZCIYPUYSZMW-UHFFFAOYSA-N
-rxn:5:177891:226452:223138,O=C(SC1CS(=O)(=O)CC1c1ccnc(C2CCNCC2)c1)c1ccccc1-c1ccc(C2OCCCO2)cc1,GAYVTVNOURTRFM-UHFFFAOYSA-N
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-rxn:5:178122:227103:227804,O=[N+]([O-])c1cc(-c2cc(-c3sccc3C3CCCCC3)ccc2COC2CCCCO2)c([N+](=O)[O-])s1,ONHNSTUBMTYMLE-UHFFFAOYSA-N
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-rxn:5:178295:225886:226320,COC(=O)C1(c2cc(-c3cc(C4(C#N)CC4)ccc3F)ccc2-c2ccc3c(ccn3S(C)(=O)=O)c2)CCC(=O)CC1,HPLWICJZXMVYQI-UHFFFAOYSA-N
-rxn:5:178295:225886:227199,COC(=O)C1(c2cc(-c3ccc4c(c3)N(C)C(=O)C4)ccc2-c2ccc3c(ccn3S(C)(=O)=O)c2)CCC(=O)CC1,BJZSGRHGBMIYIU-UHFFFAOYSA-N
-rxn:5:178295:226084:228615,COC(=O)C1(c2cc(-c3cc(C)ccc3SC)ccc2-c2ccc3c(c2)C(=O)CCCC3)CCC(=O)CC1,VHGBMQQDCQSWJG-UHFFFAOYSA-N
-rxn:5:178295:226211:227047,COC(=O)C1(c2cc(-c3cccc(SC4CCC4)c3)ccc2-c2ccc3c(c2)CCN3C(C)=O)CCC(=O)CC1,YDHMJOOQDQCYSI-UHFFFAOYSA-N
-rxn:5:178295:226212:228189,CCSc1ccc(F)c(-c2ccc(-c3ccc4c(c3)CCC4=NOC)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,JBZSGWGTYLMSFK-UHFFFAOYSA-N
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-rxn:5:178295:226349:227940,CCc1cc(SC)cc(-c2ccc(-c3cc(F)cc(OC(C)(C)C)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,MNVCKDRQQJYUNE-UHFFFAOYSA-N
-rxn:5:178295:226582:227922,CCc1cc(OC)ccc1-c1ccc(-c2ccc(C(=O)N(C)C)cc2F)c(C2(C(=O)OC)CCC(=O)CC2)c1,RMIKJNVWKUROQD-UHFFFAOYSA-N
-rxn:5:178295:226598:227922,CCc1cc(OC)ccc1-c1ccc(-c2cc(OC(C)C)c(F)cc2F)c(C2(C(=O)OC)CCC(=O)CC2)c1,RQOIMZHXCUWJHT-UHFFFAOYSA-N
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-rxn:5:178295:226925:228178,COCc1ccc(F)c(-c2ccc(-c3cc(C4CC4)cc(C)c3C)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,KVCGPTULOYPIEP-UHFFFAOYSA-N
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-rxn:5:178295:226969:226974,COC(=O)C1(c2cc(-c3ccc4c(c3)COC4(C)C)ccc2-c2ccc3c(c2)CCCC3=O)CCC(=O)CC1,POFJEUYAHMQLBR-UHFFFAOYSA-N
-rxn:5:178295:226974:228181,COCc1cc(F)ccc1-c1ccc(-c2ccc3c(c2)COC3(C)C)c(C2(C(=O)OC)CCC(=O)CC2)c1,VQIYPAREPXWKLC-UHFFFAOYSA-N
-rxn:5:178295:227030:225886,COC(=O)C1(c2cc(-c3ccc4c(ccn4S(C)(=O)=O)c3)ccc2-c2ccc(C#N)cc2C2CC2)CCC(=O)CC1,RBBGITIIGPENFQ-UHFFFAOYSA-N
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-rxn:5:178295:227073:227818,CCC(C)c1cccc(-c2ccc(-c3cc(OC)cc(C4CC4)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,JDEMNBUXYMFJGN-UHFFFAOYSA-N
-rxn:5:178295:227077:225886,CCC(C)c1ccc(-c2ccc(-c3ccc4c(ccn4S(C)(=O)=O)c3)cc2C2(C(=O)OC)CCC(=O)CC2)c(F)c1,YBPOBNHYEXGGCU-UHFFFAOYSA-N
-rxn:5:178295:227108:228564,CCC(C)c1ccc(-c2ccc(-c3cc(C4CCC4)ccc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)s1,NRLJATAOWUELAE-UHFFFAOYSA-N
-rxn:5:178295:227120:227071,COCc1cc(C)c(-c2ccc(-c3ccc(C4CCC4)cc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(C)c1,PBIKHLARQQXVBC-UHFFFAOYSA-N
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-rxn:5:178295:227312:228396,CCC(C)c1ccc(-c2ccc(-c3c(F)cc(OC)cc3F)cc2C2(C(=O)OC)CCC(=O)CC2)c(F)n1,NHKURVIPQOOTHU-UHFFFAOYSA-N
-rxn:5:178295:227346:228268,CCCc1cc(F)c(-c2ccc(-c3ccc(C)c(F)c3SC)cc2C2(C(=O)OC)CCC(=O)CC2)c(F)c1,KOTVKNCOVLDSDT-UHFFFAOYSA-N
-rxn:5:178295:227353:228012,COC(=O)C1(c2cc(-c3cccc(F)c3C3CC3)ccc2-c2c(C)cc(OC)cc2OC)CCC(=O)CC1,HISZKMRQUGJLFY-UHFFFAOYSA-N
-rxn:5:178295:227353:228419,COC(=O)C1(c2cc(-c3cc(F)c(SC)cc3F)ccc2-c2c(C)cc(OC)cc2OC)CCC(=O)CC1,MVDXSNDVHSCFHI-UHFFFAOYSA-N
-rxn:5:178295:227525:228567,CCc1cnc(C(F)F)cc1-c1ccc(-c2ccsc2C(C)CC)cc1C1(C(=O)OC)CCC(=O)CC1,CKZRQUTZUVJREY-UHFFFAOYSA-N
-rxn:5:178295:227568:226916,COC(=O)C1(c2cc(-c3cccc(C4=CCCC4)c3)ccc2-c2c(F)cc(OC)cc2OC)CCC(=O)CC1,IXHIBALKIWBDAS-UHFFFAOYSA-N
-rxn:5:178295:227696:228176,COCc1ccc(-c2ccc(-c3ccc(C(=O)OC)nc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc1F,JBIVBMMPHXTTQO-UHFFFAOYSA-N
-rxn:5:178295:227717:227311,CCC(C)c1cc(F)c(-c2ccc(-c3ccc(F)cc3OC(F)F)c(C3(C(=O)OC)CCC(=O)CC3)c2)cn1,WKFWAGVPAVWTLI-UHFFFAOYSA-N
-rxn:5:178295:227752:227933,CCc1ccc(OC)cc1-c1ccc(-c2ccc(C(F)(F)F)cc2F)c(C2(C(=O)OC)CCC(=O)CC2)c1,RQSBCKRSUCPYKZ-UHFFFAOYSA-N
-rxn:5:178295:227815:226140,CCC(C)c1ccccc1-c1ccc(-c2cc(C(C)(C)C)ccc2OC)cc1C1(C(=O)OC)CCC(=O)CC1,MZTXQMRVETUWPH-UHFFFAOYSA-N
-rxn:5:178295:228137:227591,CCOc1ncc(-c2ccc(-c3ccc(C(F)F)cc3OC)cc2C2(C(=O)OC)CCC(=O)CC2)cc1C,FYDYBBCQVVPDDR-UHFFFAOYSA-N
-rxn:5:178295:228177:226191,COCc1ccc(F)cc1-c1ccc(-c2cc(C3CCCC3)ccc2F)cc1C1(C(=O)OC)CCC(=O)CC1,LUQUQEUOWAOTCY-UHFFFAOYSA-N
-rxn:5:178295:228179:225435,COCc1cc(F)cc(-c2ccc(-c3ccccc3CN3CCCCC3)cc2C2(C(=O)OC)CCC(=O)CC2)c1,FNQIUDFCSHLIIJ-UHFFFAOYSA-N
-rxn:5:178295:228180:225499,COCc1cc(-c2ccc(-c3ccc(C4CCCCC4)cc3F)cc2C2(C(=O)OC)CCC(=O)CC2)ccc1F,ANPRKINNGZHNEM-UHFFFAOYSA-N
-rxn:5:178295:228553:226062,CCSc1ccc(-c2ccc(-c3cc(C(C)C)cc(C(C)C)c3)cc2C2(C(=O)OC)CCC(=O)CC2)cc1,DPPNLCHOPXSFAN-UHFFFAOYSA-N
-rxn:5:178295:228562:226151,CCC(C)c1csc(-c2ccc(-c3cc(C)c(C)cc3OC(C)C)cc2C2(C(=O)OC)CCC(=O)CC2)c1,AIDAUEDSFHZYMW-UHFFFAOYSA-N
-rxn:5:178295:228562:226189,CCC(C)c1csc(-c2ccc(-c3ccc(C4CCCC4)c(F)c3)cc2C2(C(=O)OC)CCC(=O)CC2)c1,ASRBPKHHHXPDJD-UHFFFAOYSA-N
-rxn:5:178295:228567:226753,CCC(C)c1sccc1-c1ccc(-c2ccc(OC)cc2C(F)(F)F)cc1C1(C(=O)OC)CCC(=O)CC1,BPMWHNOXWMDOAQ-UHFFFAOYSA-N
-rxn:5:178295:228759:223007,COC(=O)C1(c2cc(-c3cc(F)cc(C4CCNCC4)c3)ccc2-c2ccc(C(C)=O)nc2)CCC(=O)CC1,SHTPCJORAKLYSV-UHFFFAOYSA-N
-rxn:5:178313:222985:222986,Cc1cc(-c2cc(O[Si](C)(C)C(C)(C)C)ccc2-c2ccc(C3CCCNC3)nc2C)cc(C2CCCNC2)n1,KTUVQURFHSQZKV-UHFFFAOYSA-N
-rxn:5:178313:222985:222988,Cc1cc(-c2cc(O[Si](C)(C)C(C)(C)C)ccc2-c2ccc(C3CCCNC3)nc2C)cc(C2CCNCC2)n1,BKHIJPBNYWGAQX-UHFFFAOYSA-N
-rxn:5:178313:222986:222985,Cc1cc(-c2ccc(O[Si](C)(C)C(C)(C)C)cc2-c2ccc(C3CCCNC3)nc2C)cc(C2CCCNC2)n1,ATANAFSRSHNTNW-UHFFFAOYSA-N
-rxn:5:178313:223062:222987,Cc1nc(C2CCNCC2)ccc1-c1cc(O[Si](C)(C)C(C)(C)C)ccc1-c1cnc(C2CCNCC2)cc1F,VCUZGHVYBPLVOT-UHFFFAOYSA-N
-rxn:5:178313:223064:222987,Cc1nc(C2CCNCC2)ccc1-c1cc(O[Si](C)(C)C(C)(C)C)ccc1-c1ccc(C2CCNCC2)nc1F,KBUMZNPQLIIDNP-UHFFFAOYSA-N
-rxn:5:178313:225451:227048,CC(C)C(=O)c1ccc(-c2cc(O[Si](C)(C)C(C)(C)C)ccc2-c2ccc(SC3CCCCC3)cc2)cc1,APTZOVQWZISCTC-UHFFFAOYSA-N
-rxn:5:178313:227052:225438,CC(c1ccc(-c2cc(O[Si](C)(C)C(C)(C)C)ccc2-c2ccc(SC(C)(C)C)cc2)cc1)N1CCCC1,KIXIMZULRLOUIM-UHFFFAOYSA-N
-rxn:5:178314:225451:223203,CC(C)(C)[Si](C)(C)Oc1cc(-c2ccc(SC3CCCCC3)cc2)ccc1-c1cccc(C2(O)CCC2)c1,QPTRRYOGWILEHV-UHFFFAOYSA-N
-rxn:5:178315:222985:222985,Cc1nc(C2CCCNC2)ccc1-c1cc(O[Si](C)(C)C(C)(C)C)cc(-c2ccc(C3CCCNC3)nc2C)c1,TZMQOKIMZWVGDP-UHFFFAOYSA-N
-rxn:5:178315:222988:223140,Cc1cc(-c2cc(O[Si](C)(C)C(C)(C)C)cc(-c3ccnc(C4CCCNC4)c3)c2)cc(C2CCNCC2)n1,JQUIBAGNXKWGJT-UHFFFAOYSA-N
-rxn:5:178315:225450:225453,CC(C)(C)[Si](C)(C)Oc1cc(-c2ccc(C(=O)C3CCCC3)cc2)cc(-c2cccc(SC3CCCCC3)c2)c1,SGVRJPHWHJTCMM-UHFFFAOYSA-N
-rxn:5:178353:223061:223140,Cc1cc(OS(=O)(=O)c2cc(C)c(-c3cc(C4CCNCC4)ncc3F)cc2C)ccc1-c1ccnc(C2CCCNC2)c1,ACIZCLZJFDSRRL-UHFFFAOYSA-N
-rxn:5:178353:223062:223137,Cc1cc(OS(=O)(=O)c2cc(C)c(-c3cnc(C4CCNCC4)cc3F)cc2C)ccc1-c1cncc(C2CCCNC2)c1,ZJYBCYTUVOZLHF-UHFFFAOYSA-N
-rxn:5:178353:223062:226382,Cc1cc(OS(=O)(=O)c2cc(C)c(-c3cnc(C4CCNCC4)cc3F)cc2C)ccc1-c1cnc(C2CCCCC2)nc1,CFQFONNVUYYGRD-UHFFFAOYSA-N
-rxn:5:178353:223062:226438,Cc1cc(OS(=O)(=O)c2cc(C)c(-c3cnc(C4CCNCC4)cc3F)cc2C)ccc1-c1cnc(C2CCCC2)cc1F,CEKDGWGZKMDLSW-UHFFFAOYSA-N
-rxn:5:178353:223064:223138,Cc1cc(OS(=O)(=O)c2cc(C)c(-c3ccc(C4CCNCC4)nc3F)cc2C)ccc1-c1ccnc(C2CCNCC2)c1,MSIQRDORGMPPFU-UHFFFAOYSA-N
-rxn:5:178353:223135:223064,Cc1cc(OS(=O)(=O)c2cc(C)c(-c3cccnc3C3CCCNC3)cc2C)ccc1-c1ccc(C2CCNCC2)nc1F,HDUQZEYHSOZRSR-UHFFFAOYSA-N
-rxn:5:178353:225671:223294,Cc1cc(OS(=O)(=O)c2cc(C)c(-c3cc(C4CCCCC4)ncc3F)cc2C)ccc1-c1csc(N2CCNCC2)n1,USVBQTHALWNNQR-UHFFFAOYSA-N
-rxn:5:178353:226438:223062,Cc1cc(OS(=O)(=O)c2cc(C)c(-c3cnc(C4CCCC4)cc3F)cc2C)ccc1-c1cnc(C2CCNCC2)cc1F,IANNOPVBHKTWSB-UHFFFAOYSA-N
-rxn:5:178466:222981:225833,CC(C)OC(=O)c1sc2cc(-c3ccnc(NC4CCCCC4)c3)ccc2c1-c1ccnc(N2CCCCC2)c1F,MTRCYVCAEBGENE-UHFFFAOYSA-N
-rxn:5:178466:223006:225849,CC(C)OC(=O)c1sc2cc(-c3ccc(F)c(C4CCNCC4)c3)ccc2c1-c1cnc(N2CCCCC2)cc1F,WJYUZMBYIFJXSE-UHFFFAOYSA-N
-rxn:5:178466:223058:225833,CC(C)OC(=O)c1sc2cc(-c3cc(F)nc(C4CCCNC4)c3)ccc2c1-c1ccnc(N2CCCCC2)c1F,BLIJSSOIPREDNW-UHFFFAOYSA-N
-rxn:5:178466:223058:225834,CC(C)OC(=O)c1sc2cc(-c3cc(F)nc(C4CCCNC4)c3)ccc2c1-c1cc(N2CCCCC2)ncc1F,RUGGHOLXKWOZKV-UHFFFAOYSA-N
-rxn:5:178466:223061:223058,CC(C)OC(=O)c1sc2cc(-c3cc(C4CCNCC4)ncc3F)ccc2c1-c1cc(F)nc(C2CCCNC2)c1,VDQPNXJVRLZERG-UHFFFAOYSA-N
-rxn:5:178466:223061:225679,CC(C)OC(=O)c1sc2cc(-c3cc(C4CCNCC4)ncc3F)ccc2c1-c1ccc(N2CCCCC2)cc1F,ILJMZCQMWQULQL-UHFFFAOYSA-N
-rxn:5:178466:223061:225870,CC(C)OC(=O)c1sc2cc(-c3cc(C4CCNCC4)ncc3F)ccc2c1-c1cc(F)cc(N2CCOCC2)c1,LHGSSIGSLLUKAD-UHFFFAOYSA-N
-rxn:5:178466:223061:225978,CC(C)OC(=O)c1sc2cc(-c3cc(C4CCNCC4)ncc3F)ccc2c1-c1ccc(N2CCOCC2)nc1F,HFBOYZLGWFYXDX-UHFFFAOYSA-N
-rxn:5:178466:223062:223064,CC(C)OC(=O)c1sc2cc(-c3cnc(C4CCNCC4)cc3F)ccc2c1-c1ccc(C2CCNCC2)nc1F,WGWPNYSNLUSKIQ-UHFFFAOYSA-N
-rxn:5:178466:223062:225666,CC(C)OC(=O)c1sc2cc(-c3cnc(C4CCNCC4)cc3F)ccc2c1-c1cc(F)cc(N2CCCCC2)c1,XBECOXUTHCCNGB-UHFFFAOYSA-N
-rxn:5:178466:223063:225656,CC(C)OC(=O)c1sc2cc(-c3cc(F)nc(C4CCNCC4)c3)ccc2c1-c1cncc(N2CCCCC2C)c1,HDTHBZYZSQBOPE-UHFFFAOYSA-N
-rxn:5:178466:223064:225640,CC(C)OC(=O)c1sc2cc(-c3ccc(C4CCNCC4)nc3F)ccc2c1-c1ccnc(N2CCCCC2C)c1,QWPBJEJHAGNGKI-UHFFFAOYSA-N
-rxn:5:178466:223065:223061,CC(C)OC(=O)c1sc2cc(-c3ccc(N4CCNCC4)cc3F)ccc2c1-c1cc(C2CCNCC2)ncc1F,YZLSKPWYAHFYRZ-UHFFFAOYSA-N
-rxn:5:178466:223065:225633,CC(C)OC(=O)c1sc2cc(-c3ccc(N4CCNCC4)cc3F)ccc2c1-c1ccc(N2CCCCCC2)nc1,DHLZWAHQXBMQJZ-UHFFFAOYSA-N
-rxn:5:178466:225640:225976,CC(C)OC(=O)c1sc2cc(-c3ccnc(N4CCCCC4C)c3)ccc2c1-c1ccnc(N2CCOCC2)c1F,BICMGWQXUZBWKD-UHFFFAOYSA-N
-rxn:5:178466:225655:225849,CC1CCN(c2cncc(-c3ccc4c(-c5cnc(N6CCCCC6)cc5F)c(C(=O)OC(C)C)sc4c3)c2)CC1,QANXASIKENODOE-UHFFFAOYSA-N
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-rxn:5:178466:225674:225833,CC(C)OC(=O)c1sc2cc(-c3cnc(C4CCCCC4)cc3F)ccc2c1-c1ccnc(N2CCCCC2)c1F,MJUGNNVKQWGYOT-UHFFFAOYSA-N
-rxn:5:178466:225808:225833,CC(C)OC(=O)c1sc2cc(-c3cc(OC4CCCC4)ncc3F)ccc2c1-c1ccnc(N2CCCCC2)c1F,AJYUCMTZGQMDIY-UHFFFAOYSA-N
-rxn:5:178466:225833:223064,CC(C)OC(=O)c1sc2cc(-c3ccnc(N4CCCCC4)c3F)ccc2c1-c1ccc(C2CCNCC2)nc1F,GJJFMYQLAHNQHV-UHFFFAOYSA-N
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-rxn:5:178466:225980:223064,CC(C)OC(=O)c1sc2cc(-c3cc(N4CCOCC4)ncc3F)ccc2c1-c1ccc(C2CCNCC2)nc1F,XEEHYBWZKBTEAW-UHFFFAOYSA-N
-rxn:5:178466:225982:223063,CC(C)OC(=O)c1sc2cc(-c3cnc(N4CCOCC4)cc3F)ccc2c1-c1cc(F)nc(C2CCNCC2)c1,ZHKGBTRTRXQDPN-UHFFFAOYSA-N
-rxn:5:178467:223061:228193,CCOC(=O)C1=Cc2cc(-c3cnn(C4CCCC4)c3)cc(-c3cc(C4CCNCC4)ncc3F)c2OC1,SWXPAALAMOUNSO-UHFFFAOYSA-N
-rxn:5:178467:223065:227381,CCOC(=O)C1=Cc2cc(-c3cnc(C4CCCC4)nc3)cc(-c3ccc(N4CCNCC4)cc3F)c2OC1,KAHUBYNOEXFXAW-UHFFFAOYSA-N
-rxn:5:178467:223065:228201,CCOC(=O)C1=Cc2cc(-c3cnc(C4CCC4)nc3)cc(-c3ccc(N4CCNCC4)cc3F)c2OC1,WSWNVTFBKDKVSE-UHFFFAOYSA-N
-rxn:5:178467:223136:225834,CCOC(=O)C1=Cc2cc(-c3cc(N4CCCCC4)ncc3F)cc(-c3ccncc3C3CCCNC3)c2OC1,KYKKFODWUUTENJ-UHFFFAOYSA-N
-rxn:5:178467:223136:227503,CCOC(=O)C1=Cc2cc(-c3cc(OC(C)C)ncc3F)cc(-c3ccncc3C3CCCNC3)c2OC1,KLLCKGXJWIDXQN-UHFFFAOYSA-N
-rxn:5:178467:225636:228692,CCOC(=O)C1=Cc2cc(-c3ccc(CN(C)C)s3)cc(-c3ccnc(N4CCC(C)CC4)c3)c2OC1,YNMZAEQYAKGHQA-UHFFFAOYSA-N
-rxn:5:178467:225833:227376,CCOC(=O)C1=Cc2cc(-c3cncc(N4CCCC4)c3)cc(-c3ccnc(N4CCCCC4)c3F)c2OC1,LNLUIHWSXXPYDM-UHFFFAOYSA-N
-rxn:5:178467:225833:227381,CCOC(=O)C1=Cc2cc(-c3cnc(C4CCCC4)nc3)cc(-c3ccnc(N4CCCCC4)c3F)c2OC1,DKRXXEFTBIXVAQ-UHFFFAOYSA-N
-rxn:5:178467:225833:228201,CCOC(=O)C1=Cc2cc(-c3cnc(C4CCC4)nc3)cc(-c3ccnc(N4CCCCC4)c3F)c2OC1,GXTOINXUIMRPOB-UHFFFAOYSA-N
-rxn:5:178467:225834:225639,CCOC(=O)C1=Cc2cc(-c3cccnc3N3CCC(C)CC3)cc(-c3cc(N4CCCCC4)ncc3F)c2OC1,QPCXXRGHQNHMSX-UHFFFAOYSA-N
-rxn:5:178467:225834:228200,CCOC(=O)C1=Cc2cc(-c3ccnn3C3CCCC3)cc(-c3cc(N4CCCCC4)ncc3F)c2OC1,DWVSQQHKHCVUIB-UHFFFAOYSA-N
-rxn:5:178467:225834:228201,CCOC(=O)C1=Cc2cc(-c3cnc(C4CCC4)nc3)cc(-c3cc(N4CCCCC4)ncc3F)c2OC1,URULNXMTHLMPBC-UHFFFAOYSA-N
-rxn:5:178467:225849:227377,CCOC(=O)C1=Cc2cc(-c3cncnc3C3CCCC3)cc(-c3cnc(N4CCCCC4)cc3F)c2OC1,RHLXGVMBRNXLIN-UHFFFAOYSA-N
-rxn:5:178467:225849:228193,CCOC(=O)C1=Cc2cc(-c3cnn(C4CCCC4)c3)cc(-c3cnc(N4CCCCC4)cc3F)c2OC1,ANUVFXATHJCYIS-UHFFFAOYSA-N
-rxn:5:178467:225849:228200,CCOC(=O)C1=Cc2cc(-c3ccnn3C3CCCC3)cc(-c3cnc(N4CCCCC4)cc3F)c2OC1,UNGQMPIBSPBTDA-UHFFFAOYSA-N
-rxn:5:178467:225849:228201,CCOC(=O)C1=Cc2cc(-c3cnc(C4CCC4)nc3)cc(-c3cnc(N4CCCCC4)cc3F)c2OC1,JJOKKSVTBFKFQO-UHFFFAOYSA-N
-rxn:5:178467:226371:223061,CCOC(=O)C1=Cc2cc(-c3cc(C4CCNCC4)ncc3F)cc(-c3cnc(N4CCCC4)cc3C)c2OC1,OYTGAKDPAFJYGB-UHFFFAOYSA-N
-rxn:5:178467:226414:226661,CCOC(=O)C1=Cc2cc(-c3cc(N4CCN(C)CC4)cs3)cc(-c3ccc(C4=NCCCO4)cc3)c2OC1,MEUMPNJKZUAKGW-UHFFFAOYSA-N
-rxn:5:178467:226643:226662,CCOC(=O)C1=Cc2cc(-c3ccc(N4CCN(C)CC4)s3)cc(-c3ccc(N4CCOCC4)nc3)c2OC1,DCYQWJBATSIMDD-UHFFFAOYSA-N
-rxn:5:178467:226664:228193,CCOC(=O)C1=Cc2cc(-c3cnn(C4CCCC4)c3)cc(-c3cc(N4CCCC4)ncc3F)c2OC1,NKUIMPLUFGOCGA-UHFFFAOYSA-N
-rxn:5:178467:226679:226374,CCOC(=O)C1=Cc2cc(-c3cncnc3C3CCCCC3)cc(-c3cnc(N4CCCC4)cc3F)c2OC1,KWDDRJMVNRAHMK-UHFFFAOYSA-N
-rxn:5:178467:226679:226382,CCOC(=O)C1=Cc2cc(-c3cnc(C4CCCCC4)nc3)cc(-c3cnc(N4CCCC4)cc3F)c2OC1,OQKSVDBZCAVLIE-UHFFFAOYSA-N
-rxn:5:178467:226679:227381,CCOC(=O)C1=Cc2cc(-c3cnc(C4CCCC4)nc3)cc(-c3cnc(N4CCCC4)cc3F)c2OC1,GBGCNZHUEUGPBG-UHFFFAOYSA-N
-rxn:5:178467:226679:227390,CCOC(=O)C1=Cc2cc(-c3ccnn3C3CCCCC3)cc(-c3cnc(N4CCCC4)cc3F)c2OC1,CNEWHQHAYAINQK-UHFFFAOYSA-N
-rxn:5:178467:226679:228199,CCOC(=O)C1=Cc2cc(-c3cn(C4CCC4)nc3C)cc(-c3cnc(N4CCCC4)cc3F)c2OC1,LRQOTZZLGCUHDQ-UHFFFAOYSA-N
-rxn:5:178467:226794:226658,CCOC(=O)C1=Cc2cc(-c3ccc(N4CCCC4)nc3F)cc(-c3cnc(N4CCSCC4)nc3)c2OC1,MZGLEYWOSBNNMH-UHFFFAOYSA-N
-rxn:5:178467:227303:226685,CCOC(=O)C1=Cc2cc(-c3cnc(C4CCOCC4)nc3)cc(-c3cccc(CN(C)C)c3F)c2OC1,XFZUOTCXULKINA-UHFFFAOYSA-N
-rxn:5:178467:227909:222981,CCOC(=O)C1=Cc2cc(-c3ccnc(NC4CCCCC4)c3)cc(-c3ccnc(C(C)CC)c3)c2OC1,HGEPULRYAWOSKV-UHFFFAOYSA-N
-rxn:5:178467:228097:223063,CCOC(=O)C1=Cc2cc(-c3cc(F)nc(C4CCNCC4)c3)cc(-c3cncc(CN(C)C)c3)c2OC1,QVNDSTYQQZBJFQ-UHFFFAOYSA-N
-rxn:5:178467:228200:227803,CCOC(=O)C1=Cc2cc(-c3ccnn3S(=O)(=O)N(C)C)cc(-c3ccnn3C3CCCC3)c2OC1,KXUJXNWYLVXFMG-UHFFFAOYSA-N
-rxn:5:178467:228653:223062,CCOC(=O)C1=Cc2cc(-c3cnc(C4CCNCC4)cc3F)cc(-c3cnn4c3CCCC4)c2OC1,GFQKPHRRILIUJQ-UHFFFAOYSA-N
-rxn:5:178556:223141:225603,N#CC1(c2cccc(-c3ccc(-c4cncc(C5CCNCC5)c4)c(COc4ccc5c(c4)C(=O)CCC5)c3)c2F)CCC1,ATFONXCAYXVFCP-UHFFFAOYSA-N
-rxn:5:180267:225461:225985,CSc1cc(C(C)(C)C)cc(-c2ccc(N3CCCCC3)cc2C)c1-c1cccc(N2CCCS2(=O)=O)c1,LBNVTRZDFZVZPJ-UHFFFAOYSA-N
-rxn:5:180421:225595:227804,O=[N+]([O-])c1cc(-c2ccc(CC3CCCCC3)cc2-c2ccc(F)c(CN3CCCC3)c2)c([N+](=O)[O-])s1,IOYJGQOABIUNFS-UHFFFAOYSA-N
-rxn:5:180421:226643:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(CC2CCCCC2)cc1-c1ccc(N2CCOCC2)nc1,RYFQHJSXUPGSSB-UHFFFAOYSA-N
-rxn:5:180421:226685:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(CC2CCCCC2)cc1-c1cnc(C2CCOCC2)nc1,ICIRLNUNLXXUNQ-UHFFFAOYSA-N
-rxn:5:180422:222956:227613,Cc1ccc(-c2ccc(CC3CCCCC3)cc2-c2cnn(C3CCOCC3)c2)c(C2CCCNC2)c1,LPCOLNASTSLSDH-UHFFFAOYSA-N
-rxn:5:180422:225407:226179,c1cc(-c2ccc(C3CCCCCC3)cc2)c(-c2cncc(C3CCCCC3)c2)cc1CC1CCCCC1,IXDOMUZJZJYRBF-UHFFFAOYSA-N
-rxn:5:180422:226186:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(CC2CCCCC2)ccc1-c1ccccc1C1CCOCC1,IYXPJMMYUPVPPQ-UHFFFAOYSA-N
-rxn:5:180662:222998:227506,COC(=O)C1=Cc2cc(-c3cccc(/C=C/[N+](=O)[O-])c3)cc(-c3cc(F)cc(C4CCCNC4)c3)c2OC1,NANPXMKIFNLSPG-VQHVLOKHSA-N
-rxn:5:180662:225881:227507,COC(=O)C1=Cc2cc(-c3cccc(C=C[N+](=O)[O-])c3)cc(-c3ccc(C4CCOCC4)nc3F)c2OC1,HVCIMJJIGVDRRV-UHFFFAOYSA-N
-rxn:5:180662:225976:225849,COC(=O)C1=Cc2cc(-c3cnc(N4CCCCC4)cc3F)cc(-c3ccnc(N4CCOCC4)c3F)c2OC1,GQBOWBIAJLIVGF-UHFFFAOYSA-N
-rxn:5:180662:226148:223135,COC(=O)C1=Cc2cc(-c3cccnc3C3CCCNC3)cc(-c3cccc(C#C[Si](C)(C)C)c3)c2OC1,JMKOZCATLKKJGK-UHFFFAOYSA-N
-rxn:5:180662:226188:223140,COC(=O)C1=Cc2cc(-c3ccnc(C4CCCNC4)c3)cc(-c3cc(C)c([Si](C)(C)C)cc3C)c2OC1,VOXNEBNYCTTWGM-UHFFFAOYSA-N
-rxn:5:181627:225470:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(C2OCCO2)ccc1-c1ccc(N2CCC(C)CC2)cc1,LMXPPDRCGLPESR-UHFFFAOYSA-N
-rxn:5:181628:225832:225439,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2cccc(C(C)N3CCCC3)c2)c(C2OCCO2)c1,JDDQZMIPLIUFKA-UHFFFAOYSA-N
-rxn:5:181903:225407:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(C2(C)OCCO2)cc1-c1ccc(C2CCCCCC2)cc1,KECUMTICYTVGOT-UHFFFAOYSA-N
-rxn:5:181904:225832:225472,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(C2OCCO2)c(C)c1-c1cccc(N2CCCCC2C)c1,JOWSELHRLYLGJQ-UHFFFAOYSA-N
-rxn:5:181905:225394:225639,Cc1ccc(-c2cccnc2N2CCC(C)CC2)c(C2OCCO2)c1-c1cc(C2CCC2)cc(C2CC2)c1,ZZWNKFHWTJQXQW-UHFFFAOYSA-N
-rxn:5:181905:225607:223138,Cc1ccc(-c2ccnc(C3CCNCC3)c2)c(C2OCCO2)c1-c1ccc(C(C)N2CCCCC2)s1,XSWCZKXNFASBDB-UHFFFAOYSA-N
-rxn:5:181906:223056:225472,Cc1ccc(-c2ccc(N3CCC(O)CC3)nc2)c(C2OCCO2)c1-c1cccc(N2CCCCC2C)c1,JSJHZCKEULFBBF-UHFFFAOYSA-N
-rxn:5:181906:225462:225407,Cc1ccc(-c2cccc(N3CCC(C)CC3)c2)c(C2OCCO2)c1-c1ccc(C2CCCCCC2)cc1,URCGXMJHUZURKW-UHFFFAOYSA-N
-rxn:5:181906:225514:225453,Cc1ccc(-c2cccc3c2OCC2(CC2)CO3)c(C2OCCO2)c1-c1cccc(SC2CCCCC2)c1,XVVQBMMCGOQEEE-UHFFFAOYSA-N
-rxn:5:181906:225805:226452,Cc1ccc(-c2ccc(C(C)N3CCOCC3)s2)c(C2OCCO2)c1-c1ccc(C2OCCCO2)cc1,WOBZIBKMQXSRBU-UHFFFAOYSA-N
-rxn:5:181906:225832:223140,Cc1ccc(-c2c(C)nn(C3CCCCO3)c2C)c(C2OCCO2)c1-c1ccnc(C2CCCNC2)c1,QPJVUAALCRSANS-UHFFFAOYSA-N
-rxn:5:181907:223007:225683,Cc1cc(-c2cc(F)cc(C3CCNCC3)c2)c(-c2ccc(C3CCCOC3)nc2C)c(C2OCCO2)c1,YXUMKDONJPQQLE-UHFFFAOYSA-N
-rxn:5:181907:225439:225451,Cc1cc(-c2cccc(C(C)N3CCCC3)c2)c(-c2ccc(SC3CCCCC3)cc2)c(C2OCCO2)c1,NTPMHGWNXSUDJV-UHFFFAOYSA-N
-rxn:5:181907:225641:225514,Cc1cc(-c2ccnc(N3CCCC(C)C3)c2)c(-c2cccc3c2OCC2(CC2)CO3)c(C2OCCO2)c1,RQKWXTPWDXQJFG-UHFFFAOYSA-N
-rxn:5:181907:225653:225514,Cc1cc(-c2ccc(N3CCCCC3C)nc2)c(-c2cccc3c2OCC2(CC2)CO3)c(C2OCCO2)c1,XTENDZKSPLSNRJ-UHFFFAOYSA-N
-rxn:5:181908:222996:226425,Cc1cc(-c2ccc(F)cc2C2CCCNC2)c(-c2ccc(N3CCCCC3C)s2)cc1C1OCCO1,MMVFRUNLQOVDOL-UHFFFAOYSA-N
-rxn:5:181908:225451:223001,Cc1cc(-c2ccc(SC3CCCCC3)cc2)c(-c2cc(C3CCCNC3)ccc2F)cc1C1OCCO1,CGQKFLJLIYURLY-UHFFFAOYSA-N
-rxn:5:181908:225462:225633,Cc1cc(-c2cccc(N3CCC(C)CC3)c2)c(-c2ccc(N3CCCCCC3)nc2)cc1C1OCCO1,MESTZJRAXFLYLD-UHFFFAOYSA-N
-rxn:5:181908:225640:225499,Cc1cc(-c2ccnc(N3CCCCC3C)c2)c(-c2ccc(C3CCCCC3)cc2F)cc1C1OCCO1,XHUUKHXNPXLIMZ-UHFFFAOYSA-N
-rxn:5:182009:222996:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2ccc(F)cc2C2CCCNC2)c(C2CCOCC2)c1,KCIBCUJQXWSDBT-UHFFFAOYSA-N
-rxn:5:182009:225832:226191,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2cc(C3CCCC3)ccc2F)cc1C1CCOCC1,TXXYMUYGDJOMEQ-UHFFFAOYSA-N
-rxn:5:182009:225832:227390,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2ccnn2C2CCCCC2)cc1C1CCOCC1,ACCIVRWJUIHKOI-UHFFFAOYSA-N
-rxn:5:182010:226644:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(C2CCOCC2)c(-c2cncc(N3CCOCC3)c2)c1,ZISJKGRTWRORDT-UHFFFAOYSA-N
-rxn:5:182010:226686:225514,Cc1cnn(C2CCCCO2)c1-c1cc(-c2cccc3c2OCC2(CC2)CO3)ccc1C1CCOCC1,VLSLEQQDLRWRMI-UHFFFAOYSA-N
-rxn:5:182011:222956:226426,Cc1ccc(-c2ccc(C3CCOCC3)cc2-c2ccc(N3CCC(C)CC3)s2)c(C2CCCNC2)c1,DGUJFRXIKWLDSK-UHFFFAOYSA-N
-rxn:5:182011:225466:226686,Cc1cnn(C2CCCCO2)c1-c1cc(C2CCOCC2)ccc1-c1ccc(N2CCCCC2C)cc1,SLQVGYKLRYSOOT-UHFFFAOYSA-N
-rxn:5:182011:225683:222958,Cc1ccc(-c2cc(C3CCOCC3)ccc2-c2ccc(C3CCCOC3)nc2C)cc1C1CCNCC1,UJOVZXVNZBVUGN-UHFFFAOYSA-N
-rxn:5:182012:225469:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(-c2ccc(N3CCCC(C)C3)cc2)cc1C1CCCOC1,CKLXMHYEQKSHAO-UHFFFAOYSA-N
-rxn:5:182012:225832:223132,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2cccc(N3CCNCC3)c2)c(C2CCCOC2)c1,YBXFAOZVFPAFKF-UHFFFAOYSA-N
-rxn:5:182012:225832:223140,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2ccnc(C3CCCNC3)c2)c(C2CCCOC2)c1,REMMIAMEVPTBRD-UHFFFAOYSA-N
-rxn:5:182012:226686:222956,Cc1ccc(-c2ccc(-c3c(C)cnn3C3CCCCO3)cc2C2CCCOC2)c(C2CCCNC2)c1,YOUZYMKMIVMLOG-UHFFFAOYSA-N
-rxn:5:182013:225832:223132,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2cccc(N3CCNCC3)c2)c(C2CCOCC2)c1,AQNRBHJRAROGPR-UHFFFAOYSA-N
-rxn:5:183189:225462:226686,Cc1cnn(C2CCCCO2)c1-c1cc2c(c(-c3cccc(N4CCC(C)CC4)c3)c1)OC(C)(C)OC2,HPSQMRUEFRFVSC-UHFFFAOYSA-N
-rxn:5:188445:226424:226349,COC(=O)c1cc(-c2cc(N3CCCC(C)C3)cs2)cc([N+](=O)[O-])c1-c1cc(F)cc(OC(C)(C)C)c1,BAOLIHXEUSTKOM-UHFFFAOYSA-N
-rxn:5:188867:223061:222983,CC(C)OC(=O)c1cc(-c2cccc(CN3CCC(O)C3)c2)ncc1-c1cc(C2CCNCC2)ncc1F,HKAXCVHDIDWETD-UHFFFAOYSA-N
-rxn:5:188867:225833:225640,CC(C)OC(=O)c1cc(-c2ccnc(N3CCCCC3C)c2)ncc1-c1ccnc(N2CCCCC2)c1F,TVMBOLFDMCWGBW-UHFFFAOYSA-N
-rxn:5:188867:225833:225656,CC(C)OC(=O)c1cc(-c2cncc(N3CCCCC3C)c2)ncc1-c1ccnc(N2CCCCC2)c1F,OGLBBHRPKWILNO-UHFFFAOYSA-N
-rxn:5:188930:225639:226645,COC(=O)c1cc(S(N)(=O)=O)c(-c2cccnc2N2CCC(C)CC2)cc1-c1ccnc(N2CCOCC2)c1,JRUQUINJPFODBO-UHFFFAOYSA-N
-rxn:5:189001:223062:225589,COC(=O)C1(c2nc(-c3ccc(CN4CCSCC4)cc3)ccc2-c2cnc(C3CCNCC3)cc2F)CC1,KMDMVNOIMGKFKT-UHFFFAOYSA-N
-rxn:5:189001:225976:223133,COC(=O)C1(c2nc(-c3ccccc3N3CCNCC3)ccc2-c2ccnc(N3CCOCC3)c2F)CC1,JTFGCBBQJMONFT-UHFFFAOYSA-N
-rxn:5:189001:226053:226328,COC(=O)C1(c2nc(-c3ccc(C(C)(C)C#N)c(F)c3)ccc2-c2ccc(F)c(OC(F)(F)F)c2F)CC1,BOWGBGPNZKRGHM-UHFFFAOYSA-N
-rxn:5:189001:226414:225980,COC(=O)C1(c2nc(-c3cc(N4CCOCC4)ncc3F)ccc2-c2ccc(C3=NCCCO3)cc2)CC1,DWDBXVJNRHCWMQ-UHFFFAOYSA-N
-rxn:5:189001:226679:223065,COC(=O)C1(c2nc(-c3ccc(N4CCNCC4)cc3F)ccc2-c2cnc(N3CCCC3)cc2F)CC1,LFJJLTNTUHFHQG-UHFFFAOYSA-N
-rxn:5:189001:227657:225879,COC(=O)C1(c2nc(-c3ccc(N4CCOCC4)cc3F)ccc2-c2ccc(N3CCOCC3)s2)CC1,CVEPTRXRXMQUJB-UHFFFAOYSA-N
-rxn:5:189209:225799:228530,O=C(ON1C(=O)CCC1=O)c1cc(-c2cncc(OC3CCOCC3)c2)cc(-c2ccc3c(c2)OCC3)c1,RILRJYCETGWKIV-UHFFFAOYSA-N
-rxn:5:189210:225601:227931,N#CC1(c2ccc(-c3cccc(-c4ccccc4OC4CC4)c3C(=O)ON3C(=O)CCC3=O)c(F)c2)CCC1,ZTQHGSZOXFNJOL-UHFFFAOYSA-N
-rxn:5:189210:228704:226067,CCn1nc(C)c(-c2cccc(-c3ccc(C4=CCCCC4)cc3)c2C(=O)ON2C(=O)CCC2=O)c1C,KZZZHRBEPLZRCE-UHFFFAOYSA-N
-rxn:5:189211:225452:228552,CCOc1cccc(-c2c(C(=O)ON3C(=O)CCC3=O)cccc2-c2ccc(OC3C=CCCC3)cc2)c1,LOACBEWVZRTNQS-UHFFFAOYSA-N
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-rxn:5:189319:225438:227403,CC(c1ccc(-c2ccc(-c3ccc(N4CCCCC4)s3)nc2C(=O)OC(C)(C)C)cc1)N1CCCC1,WWJARTGWFHEIER-UHFFFAOYSA-N
-rxn:5:189319:225639:226662,CC1CCN(c2ncccc2-c2ccc(-c3ccc(N4CCN(C)CC4)s3)nc2C(=O)OC(C)(C)C)CC1,KSEJDTIDSKZBGH-UHFFFAOYSA-N
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-rxn:5:189320:225980:226663,CC(C)(C)OC(=O)c1cnc(-c2ccc(N3CCSCC3)nc2)c(-c2cc(N3CCOCC3)ncc2F)c1,BGCPXMVBDPQMIT-UHFFFAOYSA-N
-rxn:5:189320:227376:223054,CC(c1ccc(-c2ncc(C(=O)OC(C)(C)C)cc2-c2cncc(N3CCCC3)c2)s1)N1CCC(O)C1,SBSIXAYCGAGGQJ-UHFFFAOYSA-N
-rxn:5:189321:225438:222995,CC(c1ccc(-c2ccc(-c3cccc(N4CCCC(O)C4)c3)c(C(=O)OC(C)(C)C)n2)cc1)N1CCCC1,JKSGNIPXUPQBEU-UHFFFAOYSA-N
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-rxn:5:189321:225439:223144,CC(c1cccc(-c2ccc(-c3ccc(N4CCC(O)C4)cc3)c(C(=O)OC(C)(C)C)n2)c1)N1CCCC1,MNBBQUNZDVWQQJ-UHFFFAOYSA-N
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-rxn:5:189449:226794:223064,COC1CN(C(=O)c2cc(-c3ccc(C4CCNCC4)nc3F)ccc2-c2cnc(N3CCSCC3)nc2)C1,ZYLULWIUGGZOKA-UHFFFAOYSA-N
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-rxn:5:189665:226450:226446,Cc1nc(C2CCOC2)ccc1-c1cc(-c2cccc(C3(C)OCCO3)c2)cnc1OCC1CCOCC1,NLTWBVKLIMYPAN-UHFFFAOYSA-N
-rxn:5:189671:226064:226064,CC(C)(C)S(=O)/N=C/c1c(-c2ccc(C3CCCCC3)cc2)cccc1-c1ccc(C2CCCCC2)cc1,YTGBKUYDQOFEKT-YRRMYEEHSA-N
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-rxn:5:189718:227124:227559,Cc1ccc(-c2cc([N+](=O)[O-])c(OC3CCOCC3)cc2-c2ccc(C(C)(C)C)cc2F)cc1OC(F)F,JTSQOHAOSXDVNG-UHFFFAOYSA-N
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-rxn:5:189829:225453:228180,COCc1cc(-c2cc(C(=O)N3CCCC3)cc(-c3cccc(SC4CCCCC4)c3)c2OC)ccc1F,HJJNYYDJKMYRAL-UHFFFAOYSA-N
-rxn:5:189829:226649:227562,COc1ccc(F)c(-c2cc(C(=O)N3CCCC3)cc(-c3cccnc3N3CCOCC3)c2OC)c1OC,YTIRYRNGYVQQKB-UHFFFAOYSA-N
-rxn:5:189908:225587:227554,COC(=O)c1c(F)cccc1-c1ncc(-c2cccc(CN3CCOCC3)c2)cc1OCC1CCCCC1,LVDSTXHUMHXXRB-UHFFFAOYSA-N
-rxn:5:189908:226740:223173,N#Cc1c(-c2cnc(-c3ccc4c(c3)C(O)CS4(=O)=O)c(OCC3CCCCC3)c2)cccc1C(F)(F)F,KFTAFYVMYLNNFZ-UHFFFAOYSA-N
-rxn:5:189909:223113:225655,CC1CCN(c2cncc(-c3ccc(-c4ccc5c(c4)C(C)(C)C(=O)N5)c(CCN4CCOCC4)c3)c2)CC1,GPQHITIGEGPBPA-UHFFFAOYSA-N
-rxn:5:189952:225498:227922,CCc1cc(OC)ccc1-c1cc(C(=O)N2CCOCC2)cc(-c2cc(C3CCCCC3)ccc2F)c1OC,SWGFVKRBPDLIDK-UHFFFAOYSA-N
-rxn:5:189952:226644:226664,COc1c(-c2cncc(N3CCOCC3)c2)cc(C(=O)N2CCOCC2)cc1-c1cc(N2CCCC2)ncc1F,KNWDKFRVMKYRAP-UHFFFAOYSA-N
-rxn:5:190001:227525:226215,CCc1cnc(C(F)F)cc1-c1cc(CC(=O)N2CCCCC2)ccc1-c1ccc2c(c1)CC/C2=N\OC,PNRVIGLDPYIZLM-AWQADKOQSA-N
-rxn:5:190127:226069:225886,COC1CCN(C(=O)c2cc(-c3cccc(C4CCCCC4)c3)ccc2-c2ccc3c(ccn3S(C)(=O)=O)c2)CC1,FADFISKSTZOMNR-UHFFFAOYSA-N
-rxn:5:190127:227348:227052,COc1ccc(-c2ccc(-c3ccc(SC(C)(C)C)cc3)c(C(=O)N3CCC(OC)CC3)c2)c(C)c1OC,BUZSMLOEVHMGML-UHFFFAOYSA-N
-rxn:5:190128:223112:225833,COC1CCN(C(=O)c2ccc(-c3c(C(C)C)ccc4[nH]ncc34)c(-c3ccnc(N4CCCCC4)c3F)c2)CC1,LFCMTGGDGPRSIO-UHFFFAOYSA-N
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-rxn:5:190128:227049:227613,CCOc1c(C)cc(-c2ccc(C(=O)N3CCC(OC)CC3)cc2-c2cnn(C3CCOCC3)c2)cc1C,ZJHAKUWQDCVOGB-UHFFFAOYSA-N
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-rxn:5:190131:228326:225631,COc1cc(-c2cc(C(=O)N3CCCCC3)cc(-c3ccc(N4CCN(C)CC4)cc3)c2OC)cc(OC)n1,LHKMJMVVNSUNPL-UHFFFAOYSA-N
-rxn:5:190132:223112:225833,COC1CCN(C(=O)c2ccc(-c3c(C(C)C)ccc4[nH]ncc34)cc2-c2ccnc(N3CCCCC3)c2F)CC1,PHPHHWCSGCUCEE-UHFFFAOYSA-N
-rxn:5:190132:223112:225849,COC1CCN(C(=O)c2ccc(-c3c(C(C)C)ccc4[nH]ncc34)cc2-c2cnc(N3CCCCC3)cc2F)CC1,KWLKIIQIDZQKDD-UHFFFAOYSA-N
-rxn:5:190132:226146:228184,COc1ccc(-c2cc(-c3ccc(SC4CCCC4)cc3)ccc2C(=O)N2CCC(OC)CC2)cc1SC,KYHLXZPZQXRRSC-UHFFFAOYSA-N
-rxn:5:190194:222995:228107,CCC(C)c1ncncc1-c1c(CN2CCC(OC)CC2)cccc1-c1cccc(N2CCCC(O)C2)c1,ZVPCGTCXWPZYTB-UHFFFAOYSA-N
-rxn:5:190194:223011:223065,COC1CCN(Cc2cccc(-c3cc4[nH]ncc4cc3OC(C)C)c2-c2ccc(N3CCNCC3)cc2F)CC1,MSNKRLUVXFSDNX-UHFFFAOYSA-N
-rxn:5:190194:226150:227592,COc1cc(F)cc(-c2c(CN3CCC(OC)CC3)cccc2-c2cccc(SC3CCCC3)c2)c1OC,YVZWEPMIIDDEJL-UHFFFAOYSA-N
-rxn:5:190194:227364:226150,COc1ccc(-c2cccc(CN3CCC(OC)CC3)c2-c2cccc(SC3CCCC3)c2)c(OC)c1C,QNWAYTFKHTUKLR-UHFFFAOYSA-N
-rxn:5:190194:227501:226437,COC1CCN(Cc2cccc(-c3ccc(C=C[N+](=O)[O-])cc3)c2-c2cc(C3CCCC3)ncc2F)CC1,BFVJJTXIZHPYKO-UHFFFAOYSA-N
-rxn:5:190194:227574:225498,COc1c(F)ccc(-c2cccc(CN3CCC(OC)CC3)c2-c2cc(C3CCCCC3)ccc2F)c1OC,REVNMHKDZQQLPF-UHFFFAOYSA-N
-rxn:5:190195:223113:225976,CN(Cc1ccc(-c2ccc3c(c2)C(C)(C)C(=O)N3)c(-c2ccnc(N3CCOCC3)c2F)c1)C1CCOCC1,CDYVDLIGDLQEND-UHFFFAOYSA-N
-rxn:5:190195:226457:227032,CN(Cc1ccc(-c2ccc(C3CCOC3)c(F)c2)c(-c2cccc(C#N)c2C2CC2)c1)C1CCOCC1,AGCSYIDHRFNNMN-UHFFFAOYSA-N
-rxn:5:190195:226571:223113,CN(Cc1ccc(-c2cnn(CC3CCOCC3)c2)c(-c2ccc3c(c2)C(C)(C)C(=O)N3)c1)C1CCOCC1,KWFVRFWTBSJCGX-UHFFFAOYSA-N
-rxn:5:190195:227960:225834,CN(Cc1ccc(-c2ccncc2C2CCC2)c(-c2cc(N3CCCCC3)ncc2F)c1)C1CCOCC1,KQBSNBCSRHFHLN-UHFFFAOYSA-N
-rxn:5:190197:225871:228103,CC(C)Cc1ncc(-c2ccc(CN(C)C3CCOCC3)c(-c3cccc(N4C(=O)C=CC4=O)c3)c2)cn1,CZAYOZHVXPJVFC-UHFFFAOYSA-N
-rxn:5:190198:225439:225886,CC(c1cccc(-c2cccc(-c3ccc4c(ccn4S(C)(=O)=O)c3)c2CN(C)C2CCOCC2)c1)N1CCCC1,IHIMEVMARWQZIY-UHFFFAOYSA-N
-rxn:5:190199:226588:225655,CC1CCN(c2cncc(-c3ccc(-c4cc(OC5CCC5)ncc4F)c(CN(C)C4CCOCC4)c3)c2)CC1,HVMROKZDAZJSMC-UHFFFAOYSA-N
-rxn:5:190199:227967:225588,CN(Cc1cc(-c2ccccc2CN2CCSCC2)ccc1-c1cccnc1C1CCC1)C1CCOCC1,VYFZHWYOYHVCMS-UHFFFAOYSA-N
-rxn:5:190201:223113:223061,CC1CN(CCc2cc(-c3ccc4c(c3)C(C)(C)C(=O)N4)ccc2-c2cc(C3CCNCC3)ncc2F)CCO1,FMMLIQSADKTUMB-UHFFFAOYSA-N
-rxn:5:190201:226686:228879,Cc1cnn(C2CCCCO2)c1-c1ccc(-c2ccnn2C2COC2)c(CCN2CCOC(C)C2)c1,KSGKWHLZCOWFFV-UHFFFAOYSA-N
-rxn:5:190201:227625:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(-c2cnc(C3CCCO3)nc2)cc1CCN1CCOC(C)C1,MCKMJPJGPSJJQL-UHFFFAOYSA-N
-rxn:5:190201:228695:225834,CC1CN(CCc2cc(-c3csc(CN(C)C)c3)ccc2-c2cc(N3CCCCC3)ncc2F)CCO1,ONTNRBCNQBIQPB-UHFFFAOYSA-N
-rxn:5:190231:223112:226753,COc1ccc(-c2cc(C(=O)N3CCOC(C)C3)cc(-c3c(C(C)C)ccc4[nH]ncc34)c2OC)c(C(F)(F)F)c1,LKHISLJNTXGYRA-UHFFFAOYSA-N
-rxn:5:190265:223061:228577,CC#Cc1cncc(-c2ccc(CC(=O)N3CCCC(C)C3)cc2-c2cc(C3CCNCC3)ncc2F)c1,CRAMVJHUTNWBLS-UHFFFAOYSA-N
-rxn:5:190265:223062:228577,CC#Cc1cncc(-c2ccc(CC(=O)N3CCCC(C)C3)cc2-c2cnc(C3CCNCC3)cc2F)c1,HJDRBDGMZCSHJC-UHFFFAOYSA-N
-rxn:5:190265:228577:223062,CC#Cc1cncc(-c2cc(CC(=O)N3CCCC(C)C3)ccc2-c2cnc(C3CCNCC3)cc2F)c1,MOGZUSWUPUAJIB-UHFFFAOYSA-N
-rxn:5:190299:223146:227206,COc1ccc(-c2cccc(C3CNCCO3)c2)cc1C=C1SC(=O)N(c2ccc(-c3ccc4c(c3C)COC4=O)cc2)C1=O,AMAOLTYXLRFAHC-UHFFFAOYSA-N
-rxn:5:190308:225437:225886,CC1CCCN(CCc2cc(-c3cccc(CN4CCCCC4)c3)ccc2-c2ccc3c(ccn3S(C)(=O)=O)c2)C1,OBZRKVNLRRKKNE-UHFFFAOYSA-N
-rxn:5:190308:227587:225453,COc1cc(-c2ccc(-c3cccc(SC4CCCCC4)c3)c(CCN3CCCC(C)C3)c2)cc(F)c1OC,CEBMDAFURZYXJE-UHFFFAOYSA-N
-rxn:5:190309:223286:226761,CSc1ccc(-c2ccc(-c3cccc(NS(C)(=O)=O)c3)cc2CCN2CCCCC2C)c(C(F)(F)F)c1,OPRAWBPZMQFJBI-UHFFFAOYSA-N
-rxn:5:190309:227592:226150,COc1cc(F)cc(-c2ccc(-c3cccc(SC4CCCC4)c3)c(CCN3CCCCC3C)c2)c1OC,ANZXHWJMITZBPM-UHFFFAOYSA-N
-rxn:5:190335:226146:227932,COCc1ccc(C)c(-c2cc(C(=O)N3CCCCC3C)cc(-c3ccc(SC4CCCC4)cc3)c2OC)c1,YMLYGNZVECSUPX-UHFFFAOYSA-N
-rxn:5:190336:226067:225886,COc1c(-c2ccc(C3=CCCCC3)cc2)cc(C(=O)N2CCCC(C)C2)cc1-c1ccc2c(ccn2S(C)(=O)=O)c1,WZRTXNLKXHSRDM-UHFFFAOYSA-N
-rxn:5:190337:225454:226151,COc1c(-c2ccc(C3=CCN(C)CC3)cc2)cc(C(=O)N2CCC(C)CC2)cc1-c1cc(C)c(C)cc1OC(C)C,BPTKBCYZOJMGAC-UHFFFAOYSA-N
-rxn:5:190418:227668:223064,COc1c(F)cc(-c2ccc(CC3CC(=O)N(c4ccc(-c5ccc(C6CCNCC6)nc5F)cc4C)C3=O)cc2)c(C)c1F,GGDZJLCVGFBYDM-UHFFFAOYSA-N
-rxn:5:190459:226183:227758,O=C(c1ccccc1-c1cnccc1C1CCCCC1)N1CCSC(c2ccccc2-c2cc(F)ccc2C(F)(F)F)CC1,ALROIUULYVJFQN-UHFFFAOYSA-N
-rxn:5:190484:225607:228928,CC(c1ccc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4cccnc4C(F)F)S(=O)(=O)CC3)c2)s1)N1CCCCC1,JRVRVCIJMRHYKB-UHFFFAOYSA-N
-rxn:5:190484:226150:228591,CC(C)c1cnccc1-c1ccccc1C1CCN(C(=O)c2cccc(-c3cccc(SC4CCCC4)c3)c2)CCS1(=O)=O,DHTMTFQZNVQFDO-UHFFFAOYSA-N
-rxn:5:190484:226583:223311,O=C(c1cccc(-c2ccc(CN3CCOCC3)s2)c1)N1CCC(c2ccccc2-c2cccc(C3CNC3)c2)S(=O)(=O)CC1,PFUTWLLBJBHOQK-UHFFFAOYSA-N
-rxn:5:190484:227052:225453,CC(C)(C)Sc1ccc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4cccc(SC5CCCCC5)c4)S(=O)(=O)CC3)c2)cc1,WZOCSXFXYGCJHV-UHFFFAOYSA-N
-rxn:5:190484:227052:228653,CC(C)(C)Sc1ccc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4cnn5c4CCCC5)S(=O)(=O)CC3)c2)cc1,WLLLIEGEQDFQPK-UHFFFAOYSA-N
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-rxn:5:190484:227975:227094,C[Si](C)(C)c1cccc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4cnccc4C4CCCC4)S(=O)(=O)CC3)c2)c1,GWRQXZNPGGIHKO-UHFFFAOYSA-N
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-rxn:5:190740:226425:225849,CCOC(=O)c1cnc2c(C)cc(-c3ccc(N4CCCCC4C)s3)cc2c1-c1cnc(N2CCCCC2)cc1F,ORNCGSSGEVKSLL-UHFFFAOYSA-N
-rxn:5:190740:226427:225849,CCOC(=O)c1cnc2c(C)cc(-c3cc(N4CCC(C)CC4)cs3)cc2c1-c1cnc(N2CCCCC2)cc1F,RVOFCZPTLCHVOE-UHFFFAOYSA-N
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-rxn:5:190859:225451:226150,CC(C)(C)OC(=O)N1CCc2c1ccc(-c1ccc(SC3CCCCC3)cc1)c2-c1cccc(SC2CCCC2)c1,RGACVRROSHMPRJ-UHFFFAOYSA-N
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-rxn:5:190859:226912:227045,Cc1cc(CC(C)C)cc(-c2ccc3c(c2-c2cccc(SC(C)(C)C)c2)CCN3C(=O)OC(C)(C)C)c1,HFLOTGJYOOWEFW-UHFFFAOYSA-N
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-rxn:5:192236:223001:226330,COc1cc(-c2ccc(C(C)N3CCCC3)s2)c(S(N)(=O)=O)cc1-c1cc(C2CCCNC2)ccc1F,SGNOUPFEKCFSFA-UHFFFAOYSA-N
-rxn:5:193055:223061:227279,CC(C)n1nc(C2CC2)cc1-c1cc(-c2cc(C3CCNCC3)ncc2F)ccc1C1(C#N)CCCC1,NYPAMQAEOFEQNH-UHFFFAOYSA-N
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-rxn:5:193229:223141:225655,CC1CCN(c2cncc(-c3c(C(=O)N4CCOCC4)cccc3-c3cncc(C4CCNCC4)c3)c2)CC1,ROKAKUOMRIRPPH-UHFFFAOYSA-N
-rxn:5:193338:222988:226085,Cc1cc(-c2cc(CN3CCOCC3)cc(-c3ccc4c(c3)CCC(C)(C)O4)c2)cc(C2CCNCC2)n1,PEDBPOHWNKOWGA-UHFFFAOYSA-N
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-rxn:5:193382:223000:226643,O=S(=O)(c1ccc(-c2ccc(C3CCCNC3)c(F)c2)cc1-c1ccc(N2CCOCC2)nc1)N1CCOCC1,AAOITTAGTPSIPG-UHFFFAOYSA-N
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-rxn:5:193382:223004:226446,Cc1nc(C2CCOC2)ccc1-c1cc(-c2ccc(C3CCNCC3)c(F)c2)ccc1S(=O)(=O)N1CCOCC1,QEHHEKXBNFYXMA-UHFFFAOYSA-N
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-rxn:5:193382:223136:226645,O=S(=O)(c1ccc(-c2ccncc2C2CCCNC2)cc1-c1ccnc(N2CCOCC2)c1)N1CCOCC1,VBHZUEJROUPPDK-UHFFFAOYSA-N
-rxn:5:193382:223148:223142,O=S(=O)(c1ccc(-c2ccccc2C2CNCCO2)cc1-c1ccc(C2CCCNC2)nc1)N1CCOCC1,ZMDIJXJLXUWSTI-UHFFFAOYSA-N
-rxn:5:193382:223148:225868,O=S(=O)(c1ccc(-c2ccccc2C2CNCCO2)cc1-c1ccc(N2CCOCC2)c(F)c1)N1CCOCC1,MPUBUWGRPVRZII-UHFFFAOYSA-N
-rxn:5:193382:223201:226645,O=S(=O)(c1ccc(-c2ccccc2C2CCNC2)cc1-c1ccnc(N2CCOCC2)c1)N1CCOCC1,NOLOSHODHGTMLQ-UHFFFAOYSA-N
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-rxn:5:193382:225684:226643,Cc1nc(C2CCOCC2)ccc1-c1ccc(S(=O)(=O)N2CCOCC2)c(-c2ccc(N3CCOCC3)nc2)c1,RYCOYVOTTUYDSV-UHFFFAOYSA-N
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-rxn:5:193382:225926:226366,O=S(=O)(c1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3ccnc(N4CCCCC4)c3)c2)cc1)N1CCC1,SBZXFYUSVJMRMX-UHFFFAOYSA-N
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-rxn:5:193382:226415:223148,O=S(=O)(c1ccc(-c2ccccc2N2CCOCC2)cc1-c1ccccc1C1CNCCO1)N1CCOCC1,BBTOBGUCBAUYGX-UHFFFAOYSA-N
-rxn:5:193382:226446:222985,Cc1nc(C2CCOC2)ccc1-c1ccc(S(=O)(=O)N2CCOCC2)c(-c2ccc(C3CCCNC3)nc2C)c1,SGMHVMGYVAGOPD-UHFFFAOYSA-N
-rxn:5:193382:226644:223000,O=S(=O)(c1ccc(-c2cncc(N3CCOCC3)c2)cc1-c1ccc(C2CCCNC2)c(F)c1)N1CCOCC1,WIPVGOAXMKDAEX-UHFFFAOYSA-N
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-rxn:5:193540:226686:223146,Cc1cnn(C2CCCCO2)c1-c1ccc(CN2CCCCC2)c(-c2cccc(C3CNCCO3)c2)c1,IWYNGNMMFLLSFM-UHFFFAOYSA-N
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-rxn:5:193756:225940:225671,CC1CCCCN1C(=O)c1ccc(-c2cc(C(F)(F)F)cnc2C2CC2)cc1-c1cc(C2CCCCC2)ncc1F,QUJLVJVKDJSGJS-UHFFFAOYSA-N
-rxn:5:193756:226338:225613,CC1CCCCN1C(=O)c1ccc(-c2ccnc(OC3CCCC3)c2)cc1-c1ccnc(OC2CCCCC2)c1,ILZDHQAGURFAMU-UHFFFAOYSA-N
-rxn:5:193756:226843:225592,CC1CCCCN1C(=O)c1ccc(-c2ccc(C(=O)C(F)(F)F)nc2)cc1-c1cc(F)ccc1CN1CCCC1,BNRDIPRXYALMGS-UHFFFAOYSA-N
-rxn:5:193866:226907:227569,COc1ccc(F)c(OC)c1-c1cc(C2(N3CCC(=O)CC3)CC2)ccc1-c1cccc2c1CCC21CC1,HNYCBBUMAVUYSH-UHFFFAOYSA-N
-rxn:5:193866:227052:226915,CC(C)(C)Sc1ccc(-c2ccc(C3(N4CCC(=O)CC4)CC3)cc2-c2ccc(C3CCCC3)cc2)cc1,SRRAYPGCBJSWJS-UHFFFAOYSA-N
-rxn:5:193866:227562:226916,COc1ccc(F)c(-c2ccc(C3(N4CCC(=O)CC4)CC3)cc2-c2cccc(C3=CCCC3)c2)c1OC,BJXOEIYDHSOXHK-UHFFFAOYSA-N
-rxn:5:193866:227592:225451,COc1cc(F)cc(-c2ccc(C3(N4CCC(=O)CC4)CC3)cc2-c2ccc(SC3CCCCC3)cc2)c1OC,UJLBWUDAKSBRFV-UHFFFAOYSA-N
-rxn:5:193866:228148:226191,COc1cccc(-c2ccc(C3(N4CCC(=O)CC4)CC3)cc2-c2cc(C3CCCC3)ccc2F)c1OC,JQKBJPXWYGITJU-UHFFFAOYSA-N
-rxn:5:193866:228805:225461,CSc1cccc(-c2ccc(C3(N4CCC(=O)CC4)CC3)cc2-c2ccc(N3CCCCC3)cc2C)c1F,YZDRAGJMBOMTEV-UHFFFAOYSA-N
-rxn:5:193867:225886:226769,COC(=O)c1cc(F)c(F)c(-c2cc(-c3ccc4c(ccn4S(C)(=O)=O)c3)cc(C3(N4CCC(=O)CC4)CC3)c2)c1,XIWMMAYOGMXSJJ-UHFFFAOYSA-N
-rxn:5:193867:226069:227045,CC(C)(C)Sc1cccc(-c2cc(-c3cccc(C4CCCCC4)c3)cc(C3(N4CCC(=O)CC4)CC3)c2)c1,ZPWMEDIOIMLZHD-UHFFFAOYSA-N
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-rxn:5:193868:223286:226062,CC1CN(C(=O)c2cc(-c3cccc(NS(C)(=O)=O)c3)ccc2-c2cc(C(C)C)cc(C(C)C)c2)CC(C)O1,PCQJLVSEEGNELW-UHFFFAOYSA-N
-rxn:5:193870:226177:225655,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cncc(N3CCC(C)CC3)c2)cc1-c1ccnc(C2CCCCC2)c1,RYCHKOVNOINIJM-UHFFFAOYSA-N
-rxn:5:193870:227052:226946,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2ccc3c(c2)CCN(C)C3)cc1-c1ccc(SC(C)(C)C)cc1,RYTLDUQRIZHCFV-UHFFFAOYSA-N
-rxn:5:193872:225886:226594,CC(C)Oc1cc(F)c(-c2cc(C(=O)N3CCC4(CC3)CC4)ccc2-c2ccc3c(ccn3S(C)(=O)=O)c2)c(F)c1,DZNYKNPHOLZKHB-UHFFFAOYSA-N
-rxn:5:193932:223006:228269,COc1cc(-c2ccc(C(=O)N3CC(C)CC(C)C3)cc2-c2ccc(F)c(C3CCNCC3)c2)c(F)cc1C,MBOBHXSYUDPSNP-UHFFFAOYSA-N
-rxn:5:193967:225597:228214,Fc1cc(C2CC2)ncc1-c1cc(-c2ccc(OC3CCCCC3)nc2)ccc1CN1CCC2(CC1)OCCO2,CLSXWKMUQWLLTR-UHFFFAOYSA-N
-rxn:5:193967:225887:227768,CN(C)S(=O)(=O)n1cccc1-c1cc(-c2cc3cccc(C(F)(F)F)c3s2)ccc1CN1CCC2(CC1)OCCO2,PYJVGQWQKMATPI-UHFFFAOYSA-N
-rxn:5:193968:226848:226028,COc1ccc(-c2ccc(-c3ccc(C(F)(F)F)c(C#N)c3F)c(CN3CCC4(CC3)OCCO4)c2)c(C(F)(F)F)n1,OJRSANKJHAOZCC-UHFFFAOYSA-N
-rxn:5:193968:227807:227415,CC(C)(C)c1ccc(-c2ccc(-c3cccc4c3CCCC4)cc2CN2CCC3(CC2)OCCO3)c(F)n1,HTQCJZMVTHTSOZ-UHFFFAOYSA-N
-rxn:5:193972:223352:225938,Cc1cc(-c2ccc(NC(C)C)nc2)c(S(=O)(=O)N2CCCCCC2)cc1-c1cc(C(F)(F)F)ncc1C1CC1,MLMSVUMLZGYPOK-UHFFFAOYSA-N
-rxn:5:193972:227940:227718,CCc1cc(SC)cc(-c2cc(C)c(-c3ccc(OC(F)F)cc3F)cc2S(=O)(=O)N2CCCCCC2)c1,QUVZYAKPVLRWAQ-UHFFFAOYSA-N
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-rxn:5:194058:223054:223061,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2cc(C3CCNCC3)ncc2F)s1)N1CCC(O)C1,MMADHZYDEPANJF-UHFFFAOYSA-M
-rxn:5:194058:223054:223063,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2cc(F)nc(C3CCNCC3)c2)s1)N1CCC(O)C1,WRJLXFSHDKOHEW-UHFFFAOYSA-M
-rxn:5:194058:223061:225607,CC(c1ccc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2cc(C3CCNCC3)ncc2F)s1)N1CCCCC1,JNDCDIWGLQQCAD-UHFFFAOYSA-M
-rxn:5:194058:223061:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc2[nH]cc(OS(=O)(=O)[O-])c2cc1-c1cc(C2CCNCC2)ncc1F,NDMMVSSQFYWQRJ-UHFFFAOYSA-M
-rxn:5:194058:223063:225607,CC(c1ccc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2cc(F)nc(C3CCNCC3)c2)s1)N1CCCCC1,ATVCFOPRKBWJDE-UHFFFAOYSA-M
-rxn:5:194058:223064:223054,CC(c1ccc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2ccc(C3CCNCC3)nc2F)s1)N1CCC(O)C1,TUXBFHKBUGJVJE-UHFFFAOYSA-M
-rxn:5:194058:225794:225805,CC(c1ccc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2cnc(OC3CCCCC3)nc2)s1)N1CCOCC1,FNYFDDQCBTUKSZ-UHFFFAOYSA-M
-rxn:5:194058:225805:222988,Cc1cc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2ccc(C(C)N3CCOCC3)s2)cc(C2CCNCC2)n1,WQDBHZSYIWFEIZ-UHFFFAOYSA-M
-rxn:5:194509:226027:222982,CN(C)S(=O)(=O)c1cc(-c2ccc(CN3C(=O)c4ccccc4C3=O)c(-c3ccc(CN4CC[C@@H](O)C4)cc3)c2)ccc1F,UEQGOHKIGBWAES-HHHXNRCGSA-N
-rxn:5:194688:225450:225454,COc1cc(-c2ccc(C3=CCN(C)CC3)cc2)cc2c1OCC(=O)N(c1ccc(-c3ccc(C(=O)C4CCCC4)cc3)cc1)C2,VYQKPTHZJLOOOK-UHFFFAOYSA-N
-rxn:5:194688:226664:223065,COc1cc(-c2ccc(N3CCNCC3)cc2F)cc2c1OCC(=O)N(c1ccc(-c3cc(N4CCCC4)ncc3F)cc1)C2,HTGOQGBNSWEAFK-UHFFFAOYSA-N
-rxn:5:194688:227348:225499,COc1cc(-c2ccc(C3CCCCC3)cc2F)cc2c1OCC(=O)N(c1ccc(-c3ccc(OC)c(OC)c3C)cc1)C2,LVCFEZRKGZDCPT-UHFFFAOYSA-N
-rxn:5:194733:223186:228770,COc1c(C)cncc1-c1ccc(-c2cnn(C3CCCCO3)c2)cc1C(=O)N1C2CCC1CC(=C1CC1)C2,NBEGUSKMXCBKRJ-UHFFFAOYSA-N
-rxn:5:194733:223461:225601,Cc1[nH]ncc1-c1ccc(-c2ccc(C3(C#N)CCC3)cc2F)c(C(=O)N2C3CCC2CC(=C2CC2)C3)c1,AVRFXXHIZKODJB-UHFFFAOYSA-N
-rxn:5:194733:225407:229346,O=C(c1cc(-c2ccc(C3CCCCCC3)cc2)ccc1-c1cnon1)N1C2CCC1CC(=C1CC1)C2,WHVXHVYFTCCXHF-UHFFFAOYSA-N
-rxn:5:194733:226144:223365,C[Si](C)(C)C#Cc1ccc(-c2ccc(-c3cc4[nH]ncc4cc3F)c(C(=O)N3C4CCC3CC(=C3CC3)C4)c2)cc1,UMNYJNIALHBAFA-UHFFFAOYSA-N
-rxn:5:194733:226148:223365,C[Si](C)(C)C#Cc1cccc(-c2ccc(-c3cc4[nH]ncc4cc3F)c(C(=O)N3C4CCC3CC(=C3CC3)C4)c2)c1,OGWGKDURIMLLPE-UHFFFAOYSA-N
-rxn:5:194733:226763:225652,COC(=O)c1c(F)cc(-c2ccc(-c3cncc(N4CCCC(C)C4)c3)c(C(=O)N3C4CCC3CC(=C3CC3)C4)c2)cc1F,IMBDVDLEHLDEOL-UHFFFAOYSA-N
-rxn:5:194733:228714:227370,Cc1cc(C#N)ncc1-c1ccc(-c2ccc(OC3CC3)c(F)c2)c(C(=O)N2C3CCC2CC(=C2CC2)C3)c1,PJYDQXOAIAXXCH-UHFFFAOYSA-N
-rxn:5:194767:225671:227131,O=C1OC2(CCCN(C(=O)c3cc(-c4cc(C5CCCCC5)ncc4F)ccc3-c3cccc(C4CCOC4)c3)C2)c2ccccc21,MXQUKOGYADQBSL-UHFFFAOYSA-N
-rxn:5:194767:225976:223061,O=C1OC2(CCCN(C(=O)c3cc(-c4ccnc(N5CCOCC5)c4F)ccc3-c3cc(C4CCNCC4)ncc3F)C2)c2ccccc21,XOOBTWPLLWNAFE-UHFFFAOYSA-N
-rxn:5:194767:225982:226644,O=C1OC2(CCCN(C(=O)c3cc(-c4cnc(N5CCOCC5)cc4F)ccc3-c3cncc(N4CCOCC4)c3)C2)c2ccccc21,PMEYOCXXCCCAEK-UHFFFAOYSA-N
-rxn:5:194792:226382:222998,O=C1C2C(c3ccc(-c4cnc(C5CCCCC5)nc4)cc3)OC3(C(=O)c4ccccc4C3=O)C2C(=O)N1c1ccc(-c2cc(F)cc(C3CCCNC3)c2)cc1,VTUHVOBWQWCLMM-UHFFFAOYSA-N
-rxn:5:194792:227543:223320,COC(=O)c1cc(-c2ccc(C3OC4(C(=O)c5ccccc5C4=O)C4C(=O)N(c5ccc(-c6cc(C)cc7[nH]ncc67)cc5)C(=O)C34)cc2)ccc1F,XIRVRPZHBNYTLG-UHFFFAOYSA-N
-rxn:5:194792:227573:227376,CCOc1cc(-c2ccc(C3OC4(C(=O)c5ccccc5C4=O)C4C(=O)N(c5ccc(-c6cncc(N7CCCC7)c6)cc5)C(=O)C34)cc2)cc(F)c1F,FVZOYYFZIANIOS-UHFFFAOYSA-N
-rxn:5:196189:225407:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(C2=NCCO2)ccc1-c1ccc(C2CCCCCC2)cc1,KUPZTLIXDFJYCN-UHFFFAOYSA-N
-rxn:5:196198:222983:225936,CC(C)c1ncc(C(F)(F)F)cc1-c1cc(N2C(=O)C=CC2=O)ccc1-c1cccc(CN2CCC(O)C2)c1,WDJZMXDEDKBJOR-UHFFFAOYSA-N
-rxn:5:196408:223061:223010,OC1(c2ccc(-c3ccc(C4=NOCCO4)c(-c4cc(C5CCNCC5)ncc4F)c3)cc2)CCOCC1,VVUDPUTXRFSPFC-UHFFFAOYSA-N
-rxn:5:196408:225683:222960,Cc1cc(-c2ccc(C3=NOCCO3)c(-c3ccc(C4CCCOC4)nc3C)c2)cc(C2CCNCC2)c1,HMUMTSVBDOAREY-UHFFFAOYSA-N
-rxn:5:196793:223010:226413,O=C1COCCN1c1ccc(-c2ccc(C3(O)CCOCC3)cc2)c(-c2cccc(N3CCOCC3)c2)c1,COKVQBHRBQXMLC-UHFFFAOYSA-N
-rxn:5:196793:225622:226137,CC(C)c1ncc(C2CC2)cc1-c1cc(N2CCOCC2=O)ccc1-c1ccccc1OC1CCCCO1,GBFFURXPHSRQTN-UHFFFAOYSA-N
-rxn:5:196794:223139:226583,O=C1COCCN1c1cc(-c2ccc(C3CCNCC3)nc2)ccc1-c1ccc(CN2CCOCC2)s1,RHAILSZDNDLKIK-UHFFFAOYSA-N
-rxn:5:196794:225976:225655,CC1CCN(c2cncc(-c3ccc(-c4ccnc(N5CCOCC5)c4F)cc3N3CCOCC3=O)c2)CC1,AXQSDQSRPWDHTM-UHFFFAOYSA-N
-rxn:5:196794:226794:225833,O=C1COCCN1c1cc(-c2cnc(N3CCSCC3)nc2)ccc1-c1ccnc(N2CCCCC2)c1F,ALQBZTPBKSSDDL-UHFFFAOYSA-N
-rxn:5:196858:222960:225633,Cc1cc(-c2cnc(C3CCOCC3)cc2-c2ccc(N3CCCCCC3)nc2)cc(C2CCNCC2)c1,OSTKRRUIBUWRGX-UHFFFAOYSA-N
-rxn:5:196858:225466:222960,Cc1cc(-c2cc(C3CCOCC3)ncc2-c2ccc(N3CCCCC3C)cc2)cc(C2CCNCC2)c1,BOVSNHJVDXUTDT-UHFFFAOYSA-N
-rxn:5:196871:222990:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(-c2ccc(N3CCC(O)CC3)cc2)c(N2CCOCC2)c1,KPFJMFAZVQYZDY-UHFFFAOYSA-N
-rxn:5:196872:225655:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(N2CCOCC2)c(-c2cncc(N3CCC(C)CC3)c2)c1,HGVGUWRTSVGDPD-UHFFFAOYSA-N
-rxn:5:196916:226898:223140,Cc1nn(S(=O)(=O)N(C)C)cc1-c1cc(-c2ccnc(C3CCCNC3)c2)ccc1N1CCCCC1=O,OZCRBXGZDLBIBX-UHFFFAOYSA-N
-rxn:5:196969:222957:225633,Cc1cc(-c2cnc(C3CCCCC3)cc2-c2ccc(N3CCCCCC3)nc2)cc(C2CCCNC2)c1,ZXIKAGVHMDSPCV-UHFFFAOYSA-N
-rxn:5:196969:226064:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(C2CCCCC2)ncc1-c1ccc(C2CCCCC2)cc1,ZORZATSGYNJGQI-UHFFFAOYSA-N
-rxn:5:196971:225451:226686,Cc1cnn(C2CCCCO2)c1-c1cc(-c2ccc(SC3CCCCC3)cc2)ncc1C1CCCCC1,NDQIBECBOOCSED-UHFFFAOYSA-N
-rxn:5:197876:223354:226146,CNC(=O)c1ccc(-c2cc3c(cc2-c2ccc(SC4CCCC4)cc2)C(=O)N(C(C)(C)C)S3(=O)=O)cc1,FWWZPZRXDZMMCK-UHFFFAOYSA-N
-rxn:5:197876:225436:228616,CSc1ccc(-c2cc3c(cc2-c2ccc(CN4CCCCC4)cc2)S(=O)(=O)N(C(C)(C)C)C3=O)c(C)c1,CRJZFWSNCJMJRC-UHFFFAOYSA-N
-rxn:5:197876:225823:227045,CC(C)c1cc(-c2cc3c(cc2-c2cccc(SC(C)(C)C)c2)C(=O)N(C(C)(C)C)S3(=O)=O)cc(C(F)(F)F)c1,AVFCYQWYHRMGHG-UHFFFAOYSA-N
-rxn:5:197876:226190:227965,Cc1ccnc(C(C)C)c1-c1cc2c(cc1-c1ccc(C3CCCC3)cc1F)S(=O)(=O)N(C(C)(C)C)C2=O,VFNCGLIJLHVZMT-UHFFFAOYSA-N
-rxn:5:197876:226432:227985,CC(C)c1cc(-c2cc3c(cc2-c2ccc(C4CCCC4)nc2F)S(=O)(=O)N(C(C)(C)C)C3=O)ccc1F,GMLYGGCDTSZRCN-UHFFFAOYSA-N
-rxn:5:197876:226610:227052,CCc1cc(-c2cc3c(cc2-c2ccc(SC(C)(C)C)cc2)C(=O)N(C(C)(C)C)S3(=O)=O)cc(C(F)(F)F)c1,XLAZZZDNGJEISN-UHFFFAOYSA-N
-rxn:5:197876:226762:225453,CSc1cc(-c2cc3c(cc2-c2cccc(SC4CCCCC4)c2)C(=O)N(C(C)(C)C)S3(=O)=O)cc(C(F)(F)F)c1,NLUHBSLWQGTRRL-UHFFFAOYSA-N
-rxn:5:197876:226762:225811,CSc1cc(-c2cc3c(cc2-c2ccc(C4(C(F)(F)F)CC4)cc2)C(=O)N(C(C)(C)C)S3(=O)=O)cc(C(F)(F)F)c1,YPALSBHZPJHFEH-UHFFFAOYSA-N
-rxn:5:197876:226762:226183,CSc1cc(-c2cc3c(cc2-c2cnccc2C2CCCCC2)C(=O)N(C(C)(C)C)S3(=O)=O)cc(C(F)(F)F)c1,XWVUHJIZWVZNDV-UHFFFAOYSA-N
-rxn:5:197876:226923:227045,Cc1cc(C2CC2)c(C)cc1-c1cc2c(cc1-c1cccc(SC(C)(C)C)c1)C(=O)N(C(C)(C)C)S2(=O)=O,WKOSJWGHGXMRTI-UHFFFAOYSA-N
-rxn:5:197876:226926:226918,Cc1cc(C(C)(C)C)ccc1-c1cc2c(cc1-c1ccc(C3=CCCC3)cc1)C(=O)N(C(C)(C)C)S2(=O)=O,KTQZQUCUYWMEPL-UHFFFAOYSA-N
-rxn:5:197876:227052:227120,CC(C)(C)Sc1ccc(-c2cc3c(cc2-c2ccc(C4CCC4)cc2F)C(=O)N(C(C)(C)C)S3(=O)=O)cc1,MRWACWYGQXIYQY-UHFFFAOYSA-N
-rxn:5:197876:227065:226321,CC(C)C(=O)c1cccc(-c2cc3c(cc2-c2ccc(SC4CCCC4)nc2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,DTDUYZFBGIEQQN-UHFFFAOYSA-N
-rxn:5:197876:227085:226916,CC(C)(C)N1C(=O)c2cc(-c3cccc(C4=CCCC4)c3)c(-c3ccc(C4CCCC4)nc3)cc2S1(=O)=O,TYIUJBLPUJRRMO-UHFFFAOYSA-N
-rxn:5:197876:227102:226159,CC(C)(C)c1ccc(F)c(-c2cc3c(cc2-c2cccc(N4CCCCC4)c2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,HGLDAUPNRWSSPR-UHFFFAOYSA-N
-rxn:5:197876:227102:227091,CC(C)(C)c1ccc(F)c(-c2cc3c(cc2-c2cncc(C4CCCC4)c2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,YWAVBGDVHJKWAW-UHFFFAOYSA-N
-rxn:5:197876:227319:226926,Cc1cc(C(C)(C)C)ccc1-c1cc2c(cc1-c1cc(CC(C)C)ncc1F)S(=O)(=O)N(C(C)(C)C)C2=O,OEIYGTSRCVUYDI-UHFFFAOYSA-N
-rxn:5:197876:227408:227102,CC(C)(C)c1ccc(F)c(-c2cc3c(cc2-c2cc(C4CCC4)ncc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,ULMIWIVEXAJRCC-UHFFFAOYSA-N
-rxn:5:197876:227610:227999,CC(C)c1ccc(-c2cc3c(cc2-c2ccn(C4CCCCO4)n2)S(=O)(=O)N(C(C)(C)C)C3=O)c(F)c1,IUWIJTYIDLPADB-UHFFFAOYSA-N
-rxn:5:197876:228268:226189,CSc1c(-c2cc3c(cc2-c2ccc(C4CCCC4)c(F)c2)C(=O)N(C(C)(C)C)S3(=O)=O)ccc(C)c1F,FDFHBHVCJHJQBF-UHFFFAOYSA-N
-rxn:5:197876:228344:226179,CC(C)(C)N1C(=O)c2cc(-c3cncc(C4CCCCC4)c3)c(-c3ccc(SC(F)F)cc3)cc2S1(=O)=O,KUBBPJMTBNMKLT-UHFFFAOYSA-N
-rxn:5:197876:228415:226059,CC(C)c1ccc(-c2cc3c(cc2-c2cc(F)ccc2C(F)F)S(=O)(=O)N(C(C)(C)C)C3=O)c(C(C)C)c1,UGFABASXZBOROT-UHFFFAOYSA-N
-rxn:5:197876:228437:226589,CC(C)c1cnc(C(F)F)cc1-c1cc2c(cc1-c1ccc(C(F)F)cc1F)S(=O)(=O)N(C(C)(C)C)C2=O,CDNJRFXJVPJHMZ-UHFFFAOYSA-N
-rxn:5:197876:228447:226428,CC1CCCCN1c1csc(-c2cc3c(cc2-c2cccc(C(F)F)c2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,IFWXCPHXKHSAPE-UHFFFAOYSA-N
-rxn:5:197876:228713:226589,CC(C)c1cnc(C(F)F)cc1-c1cc2c(cc1-c1ccn(C(C)(C)C)n1)S(=O)(=O)N(C(C)(C)C)C2=O,HKPRPQLCNFNGES-UHFFFAOYSA-N
-rxn:5:198558:226662:225805,CC(c1ccc(C2=NS(=O)(=O)c3cc(-c4ccc(N5CCN(C)CC5)s4)ccc32)s1)N1CCOCC1,FIGRUOZVBWZRLQ-UHFFFAOYSA-N
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-rxn:5:227910:178295:227589,CCC(C)c1ccc(-c2ccc(-c3cc(C)cc(OC(F)F)c3)cc2C2(C(=O)OC)CCC(=O)CC2)cn1,WFBZLQSGDBXKCO-UHFFFAOYSA-N
-rxn:5:227933:178295:225625,CCc1ccc(OC)cc1-c1ccc(-c2cc(OC3CCCC3)ccc2F)cc1C1(C(=O)OC)CCC(=O)CC1,ZFMPYTJLPGKLTP-UHFFFAOYSA-N
-rxn:5:227935:178295:227117,CCc1cc(-c2ccc(-c3cc(C4CC4)cc(C)c3F)cc2C2(C(=O)OC)CCC(=O)CC2)ccc1OC,YAAHJSBFMHFEOD-UHFFFAOYSA-N
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-rxn:4:173509:224420,Cc1cc2c(cc1-c1cc(OCC3CC3)cc(C(=O)OC(C)(C)C)c1)C(C)(C)CCC2(C)C,FVTAXUBVJCLDAG-UHFFFAOYSA-N
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-rxn:4:173596:225622,COc1ccc(OC)c(-c2c(C(C)C)cc(C(C)C)cc2C(C)C)c1-c1ccccc1OC1CCCCO1,ZWGQUFWQIGXGMN-UHFFFAOYSA-N
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-rxn:4:173704:222836,COc1cccc2c(-c3ccc(NC(=O)CC(C)(C)C)cc3)ccc(O[Si](C(C)C)(C(C)C)C(C)C)c12,QUWJEBCDNUTGEJ-UHFFFAOYSA-N
-rxn:4:173704:223093,COc1cccc2c(-c3cncc(NS(=O)(=O)C(C)C)c3)ccc(O[Si](C(C)C)(C(C)C)C(C)C)c12,XJYLNDPMDHXHNM-UHFFFAOYSA-N
-rxn:4:173704:224267,COc1cccc2c(-c3cccc(N4CCC5(CC4)OCCO5)c3)ccc(O[Si](C(C)C)(C(C)C)C(C)C)c12,WYWCMJZKAWXRAI-UHFFFAOYSA-N
-rxn:4:173704:224874,COc1cccc2c(-c3cccc(COC4CCCCC4)c3)ccc(O[Si](C(C)C)(C(C)C)C(C)C)c12,IMNRBWGCOGJLFR-UHFFFAOYSA-N
-rxn:4:173704:225394,COc1cccc2c(-c3cc(C4CCC4)cc(C4CC4)c3)ccc(O[Si](C(C)C)(C(C)C)C(C)C)c12,VUHQCDCEBCIXTE-UHFFFAOYSA-N
-rxn:4:173715:222700,FC(F)(F)Oc1ccc(OC(F)(F)C(F)(F)F)c(-c2ccc(C(F)(F)F)cc2C2CCCNC2)c1,VABMPTRJXRXXLH-UHFFFAOYSA-N
-rxn:4:173715:224015,Cc1cc(F)c(-c2cc(OC(F)(F)F)ccc2OC(F)(F)C(F)(F)F)cc1S(=O)(=O)N1CCOCC1,YIZOTMNCIOFSTL-UHFFFAOYSA-N
-rxn:4:173775:222697,CCOC(=O)c1cc(-c2ccc(Cl)c(C(=O)N3CCC(O)CC3)c2)ccc1OC(F)(F)F,QDGMHGSPKWSKQA-UHFFFAOYSA-N
-rxn:4:173789:224285,COC(=O)c1ccc(OCC(F)(F)F)c(-c2ccc(OCCN3CCOCC3)cc2F)c1,MAOMQJRJYCRLFH-UHFFFAOYSA-N
-rxn:4:173802:222674,O=C(NC1CCCCC1)c1cccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)c1F,IHDRKGHRHLJTCD-UHFFFAOYSA-N
-rxn:4:173802:224258,CC1CCCCN1C(=O)c1ccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)c(Cl)c1,XEFGICXFUUIMOD-UHFFFAOYSA-N
-rxn:4:173802:224291,O=S(=O)(OC(c1ccc(-c2ccc(OCCN3CCOCC3)c(F)c2)cc1)C(F)(F)F)C(F)(F)F,XLJJVZOCKOAQGY-UHFFFAOYSA-N
-rxn:4:173802:224668,CCN1CCN(c2cc(F)cc(-c3ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc3)c2)CC1,ZPEUSDMMCFAAIU-UHFFFAOYSA-N
-rxn:4:173802:225330,COC(=O)c1cc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)cc(C(=O)OC)n1,YJQOWJWGNASINO-UHFFFAOYSA-N
-rxn:4:173802:225803,O=S(=O)(OC(c1ccc(-c2ccnc(OC3CCOCC3)c2)cc1)C(F)(F)F)C(F)(F)F,WASRFIKVYLPQSV-UHFFFAOYSA-N
-rxn:4:173979:223834,CCSCC(=O)c1ccc(OC)c(-c2cc(C)c(S(=O)(=O)N3CCN(C)CC3)c(C)c2)c1,YWLIFVIRLHTTMJ-UHFFFAOYSA-N
-rxn:4:174009:224061,CCCC1CCC(c2ccc(-c3ccc(C(=O)C(C(C)=O)C(=O)OC)cc3)c(F)c2)CC1,KCXZPOPGKSJKET-UHFFFAOYSA-N
-rxn:4:174011:222679,CCOC(=O)c1cc(-c2cc(NC(=O)OC(C)(C)C)ccc2OC)c(OCC)c(F)c1F,FVGQGRVKTSFDBA-UHFFFAOYSA-N
-rxn:4:174014:223992,Cc1ccc(-c2ccc(OCC(=O)C3CC3)cc2C(F)(F)F)cc1S(=O)(=O)N1CCN(C)CC1,CBKADJOVVFWIHZ-UHFFFAOYSA-N
-rxn:4:174015:224711,CCCCOc1ccc(C(F)(F)F)cc1-c1ccc(OCC(=O)C2CC2)c(C(F)(F)F)c1,GOZWXPCZOLVOAO-UHFFFAOYSA-N
-rxn:4:174015:224800,CC(C)Oc1cc(-c2ccc(OCC(=O)C3CC3)c(C(F)(F)F)c2)ccc1OC(F)(F)F,XJAVCSQQFCWELU-UHFFFAOYSA-N
-rxn:4:174468:223994,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cc(Cl)ccc1CCO[Si](C)(C)C(C)(C)C,BWIIIGJVWIDUMX-UHFFFAOYSA-N
-rxn:4:174488:223973,CCOC(=O)C(=CC1CCCCC1)c1ccc(-c2ccc(N3CCCC(C)C3)cc2C(F)(F)F)cc1,PEHUBVYQXNONKM-UHFFFAOYSA-N
-rxn:4:174490:225010,CC1(C)COC(CCCC(=O)c2cccc(-c3ccc(F)c(CN4CCCCC4)c3)c2)OC1,KBZUPLDMAPMKAN-UHFFFAOYSA-N
-rxn:4:174491:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2ccc(C(=O)CCCC3OCC(C)(C)CO3)cc2)cc1,GEJVMXTVRABERS-UHFFFAOYSA-N
-rxn:4:174515:223774,COc1cccc2c1cc(-c1ccc(O[Si](C(C)C)(C(C)C)C(C)C)cc1)n2C(=O)OC(C)(C)C,YLXDIWPMVUQLDJ-UHFFFAOYSA-N
-rxn:4:174522:222932,COCCNS(=O)(=O)c1ccc(-c2ccc(C#C[Si](C(C)C)(C(C)C)C(C)C)cc2)cc1,LEVXOIPJQSKOTR-UHFFFAOYSA-N
-rxn:4:174524:226099,CCCCOc1ccc(C)c(-c2cccc(C=Cc3cc(OC)c(C4OCCO4)cc3C(F)(F)F)c2C)c1,DYBXZCBZRLYKFB-UHFFFAOYSA-N
-rxn:4:174528:224732,COc1ccc(C)c(-c2c(C(C)C)cc(C(C)C)cc2C(C)C)c1-c1ccc(S(=O)(=O)OCC(C)(C)C)cc1,PAVVSUZXEWNIAR-UHFFFAOYSA-N
-rxn:4:174545:222846,COC(=O)C12CC(COc3cc(Cl)cc(-c4cc(C5CCCNC5)ccc4C#N)c3)(C1)C2,AOJMJWVKKZKQJZ-UHFFFAOYSA-N
-rxn:4:174570:224458,CCCCCCC1CC(=O)c2cc(-c3ccc(C(C)N4CCC(C)CC4)cc3)ccc2O1,LTEXCXUUONLCGM-UHFFFAOYSA-N
-rxn:4:174602:224378,CCC(=O)Oc1ccc2c(c1)OC(=Cc1cc(-c3cnc(N4CCCCC4)c(C(F)(F)F)c3)ccc1OC)C2=O,BIXXSASXVZLPED-UHFFFAOYSA-N
-rxn:4:174656:222677,CC(C)[Si](C#Cc1cccc2cccc(-c3ccc(F)cc3CNC(=O)OC(C)(C)C)c12)(C(C)C)C(C)C,LMDCKNZIUVFLQQ-UHFFFAOYSA-N
-rxn:4:174656:223690,COC(=O)c1cc(-c2cccc3cccc(C#C[Si](C(C)C)(C(C)C)C(C)C)c23)cn1S(=O)(=O)c1ccc(C)cc1,RSXMQEFAFOTCLF-UHFFFAOYSA-N
-rxn:4:174722:223646,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3cc(F)cc(OCCC(F)(F)F)c3)cc2)C1,MLWDZHPSTLPVNR-UHFFFAOYSA-N
-rxn:4:174892:223812,COC(=O)C(=O)c1ccc(-c2cc(F)cc(CN3CCC4(CC3)OCCO4)c2)cc1OC,IYEJPVVBVLMPKI-UHFFFAOYSA-N
-rxn:4:175090:222619,CS(=O)(=O)OC(c1ccc(-c2ccc(CNC(=O)C3CCCCC3)cc2)cc1)C(F)(F)F,CNQVNSGDUXHMML-UHFFFAOYSA-N
-rxn:4:175249:223500,CCS(=O)(=O)CCc1ccc(-c2ccc(F)c(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1,WBWROFZNPOBKOJ-UHFFFAOYSA-N
-rxn:4:175664:222951,CC(=O)Nc1cc(C(F)(F)F)c(-c2cc(C(F)(F)F)cc(F)c2C(=O)OC(C)(C)C)cn1,PCECNSSOLOLODB-UHFFFAOYSA-N
-rxn:4:175800:223693,COC(=O)c1cc(-c2ccc(C(F)(F)F)cc2)ccc1-c1cc(O[Si](C)(C)C(C)(C)C)cc(C(F)(F)F)c1F,UWMIXWHNESAXPT-UHFFFAOYSA-N
-rxn:4:176124:224804,CC(C)Oc1ccc(-c2ccccc2OC(=O)C2=C(c3ccccc3)S(=O)(=O)CCO2)cc1OC(F)(F)F,RIKJLSPUTRXNCT-UHFFFAOYSA-N
-rxn:4:176131:223911,CCOC(=O)C1(c2ccc(-c3cc(SC(C)(C)C)cc(SC(C)(C)C)c3)cc2)CCOCC1,GOINBBWLPZXGID-UHFFFAOYSA-N
-rxn:4:176131:224059,COc1c(-c2cc(SC(C)(C)C)cc(SC(C)(C)C)c2)cc(C(C)(C)C)cc1C(C)(C)C,ULNUQXFPTCNCIV-UHFFFAOYSA-N
-rxn:4:176131:224120,Cc1cc(-c2cc(SC(C)(C)C)cc(SC(C)(C)C)c2)ccc1CO[Si](C)(C)C(C)(C)C,RJPNCYPGQPXBLZ-UHFFFAOYSA-N
-rxn:4:176242:224320,Cc1ccc(S(=O)(=O)N2CCCCC2)cc1-c1ccccc1C=C1Oc2cc(OC(=O)C3CC3)ccc2C1=O,FSHNSIQDZQPRBJ-UHFFFAOYSA-N
-rxn:4:176290:222633,O=C(NCCN1CCCC1)c1ccc(-c2ccc(C=C3Oc4cc(OS(=O)(=O)c5ccc(F)cc5)ccc4C3=O)cc2)cc1,CCRUUEPTQXIVOV-UHFFFAOYSA-N
-rxn:4:176322:224760,CCC1(CC)CC(C)(C)c2c1cc1c(c2-c2ccc(S(=O)(=O)N3CCCCC3)cc2)C(C)(C)CC1(CC)CC,UBZSDDLOUJKGJE-UHFFFAOYSA-N
-rxn:4:176322:229006,CCC1(CC)CC(C)(C)c2c1cc1c(c2-c2ccc(SC)cc2)C(C)(C)CC1(CC)CC,MBJXNSMZVFQNHM-UHFFFAOYSA-N
-rxn:4:176438:223594,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)cc(-c3ccc(OC(F)(F)C(F)(F)F)cc3Cl)c2)CC1,ABCBMMHAFVEETA-UHFFFAOYSA-N
-rxn:4:176696:223697,CSc1cc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2C(F)(F)F)cc(C(=O)C(F)F)c1F,YGISJNYJJNVSHG-UHFFFAOYSA-N
-rxn:4:176869:223501,CC(F)(F)COc1cc(Cl)ccc1-c1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c(Cl)c1,XQPOFSKIVBFABB-UHFFFAOYSA-N
-rxn:4:177240:224828,CCOc1cc(OC(F)(F)F)cc(-c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2C)c1F,HVEMXYGCCUCIJT-UHFFFAOYSA-N
-rxn:4:177354:223598,COC(=O)c1cc(C2CC2)ccc1-c1ccc(OCCN2CCC3(CC2)OCCO3)c(F)c1,HLAHCXRRFNESDN-UHFFFAOYSA-N
-rxn:4:177366:223499,CCOc1cc(-c2ccc(Cl)c(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)ccc1C(C)(F)F,VRXCEZAAGWLQTB-UHFFFAOYSA-N
-rxn:4:177403:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2cc(OC(F)(F)F)cc(C3OCCO3)c2)cc1,KFPHYYCYBVHNON-UHFFFAOYSA-N
-rxn:4:177452:223597,CSc1cc(-c2ccc(OCCN3CCC4(CC3)OCCO4)c(Cl)c2)cc(OC(C)C)c1F,KEWXFKBKRBVYDX-UHFFFAOYSA-N
-rxn:4:177657:223503,CC(C)(C)OC(=O)N1CCC(Oc2cc(F)c(-c3ccc(OCc4cccc(F)c4F)cc3Cl)c(F)c2)CC1,DVOYKEBUXTZZHM-UHFFFAOYSA-N
-rxn:4:178173:224015,COc1ccc(-c2cc(S(=O)(=O)N3CCOCC3)c(C)cc2F)cc1SC1CCOCC1,KKJLKQBEQSMYPV-UHFFFAOYSA-N
-rxn:4:178292:224496,CCN1CCN(Cc2cccc(-c3cccc(C4(C(=O)OC)CCC(=O)CC4)c3)c2)CC1,GOSHVMPDMNXZHZ-UHFFFAOYSA-N
-rxn:4:178381:222786,CC(C)(C)OC(=O)Nc1cc(F)cc(-c2c(C(C)(C)C)cc(C(C)(C)C)cc2C(C)(C)C)c1,KPGMFKVAVUCUPC-UHFFFAOYSA-N
-rxn:4:178381:223774,COc1cccc2c1cc(-c1c(C(C)(C)C)cc(C(C)(C)C)cc1C(C)(C)C)n2C(=O)OC(C)(C)C,UWYMKGYCMXCRPS-UHFFFAOYSA-N
-rxn:4:178382:225110,CC(C)(C)OC(=O)Oc1ccc(-c2cc(C(C)(C)C)c(C(C)(C)C)c(C(C)(C)C)c2)cc1,IKQGDBCISQFCRR-UHFFFAOYSA-N
-rxn:4:178384:227332,CC(C)Oc1ccc(Cl)cc1-c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1,BDYQTWZWQVHLCQ-UHFFFAOYSA-N
-rxn:4:178384:227555,CCOc1c(Cl)ccc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c1F,TTXARWUHTPOIQF-UHFFFAOYSA-N
-rxn:4:178384:227581,CCOc1c(F)ccc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c1F,WLARRHOQTQMGJZ-UHFFFAOYSA-N
-rxn:4:178384:228275,COc1c(F)cc(C)cc1-c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1,VDISYHAFZAERGT-UHFFFAOYSA-N
-rxn:4:178384:228606,CCc1ccc(F)c(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c1,WEQNGQUNUBEVMC-UHFFFAOYSA-N
-rxn:4:178384:228913,COc1nccc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c1F,YDALKVUYDJLAES-UHFFFAOYSA-N
-rxn:4:178462:223896,CCOC(=O)c1ccc(-c2cccc(OC)c2C(=O)N(C(C)C)C(C)C)c2c1OCCO2,AWYTYANFCCYESM-UHFFFAOYSA-N
-rxn:4:178597:229034,Cc1ccc(F)c(-c2ccc(OC(=O)C3OC4OC(C)(C)OC4C4OC(C)(C)OC34)cc2)c1,MCBYQGHEHNZPEH-UHFFFAOYSA-N
-rxn:4:178597:229256,Cc1noc(C)c1-c1ccc(OC(=O)C2OC3OC(C)(C)OC3C3OC(C)(C)OC23)cc1,LKFCXFVBEOYICE-UHFFFAOYSA-N
-rxn:4:178598:223549,COc1cc2c(cc1OC)C1CCCCC1OC2c1cccc(-c2ccc(COc3c(C(C)C)cccc3C(C)C)cc2)c1,IUKQCROPDKKXBC-UHFFFAOYSA-N
-rxn:4:178810:223500,COC(=O)c1oc(-c2ccc(F)c(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1C,LSOWPLVXRQQNDZ-UHFFFAOYSA-N
-rxn:4:180322:223492,Cc1ccc(-c2ccc(-c3ccc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c(C)c3)c(C(F)(F)F)c2)cc1,LNNFUWABJYSEIH-UHFFFAOYSA-N
-rxn:4:180415:223559,COc1c(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)cc(C)cc1C(C)(C)C,XNVXBJNLVDMIPI-UHFFFAOYSA-N
-rxn:4:180459:222466,c1c(-c2cc(C3CCCCC3)nc(C3CCNCC3)c2)cc(C2CC2)cc1C1CCCC1,LBNGWEIKXCCJAH-UHFFFAOYSA-N
-rxn:4:180493:222585,O=C(NCCN1CCOCC1)c1ccccc1-c1ccc(C2CCCCO2)c(C2CC2)c1,KTMISSHEQJPINR-UHFFFAOYSA-N
-rxn:4:180610:222615,CC(C)Cc1cc(-c2ccc3c(c2)CC(C(=O)C(F)(F)F)C3=O)cc(C2CCNCC2)c1,YJRIBWDGAUSPDV-UHFFFAOYSA-N
-rxn:4:180652:223693,COC(=O)c1ccc(-c2cc(O[Si](C)(C)C(C)(C)C)cc(C(F)(F)F)c2F)c2c1C=CCO2,XWBNMEOFHIHLOD-UHFFFAOYSA-N
-rxn:4:180792:225052,CCOC1CCC2(CC1)Cc1ccc(-c3cc(F)cc(N4CCCCC4C)c3)cc1C2=O,COBCIUMAUMXOJK-UHFFFAOYSA-N
-rxn:4:180815:224595,COc1cc(N2CCCC(C)C2)ccc1-c1ccc(OC)c(C23CC4CC(CC(C4)C2)C3)c1,OPJQKPMSFDWHTP-UHFFFAOYSA-N
-rxn:4:182090:223652,COc1ccc(Cl)c2cc(-c3ccc(C=C4C(=O)OC(C)(C)OC4=O)cc3)n(C(=O)OC(C)(C)C)c12,RVDVCDHHGVZODY-UHFFFAOYSA-N
-rxn:4:182233:223529,COC1CCc2ccc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)c(F)c3)cc21,TXXSAYRJIFUBQB-UHFFFAOYSA-N
-rxn:4:182359:224599,COC1CCC2(CC1)Oc1ccc(-c3cc(C(=O)C4CCCCC4)ccc3F)cc1C2=O,XMGAIBCEGXLIRS-UHFFFAOYSA-N
-rxn:4:182360:222658,O=C(NC1CCCCC1)c1cc(F)cc(-c2ccc3c(c2)C(=O)CC(C2CCCOC2)O3)c1,IBTIKJWFDNWWFF-UHFFFAOYSA-N
-rxn:4:182376:224649,CO[C@H]1[C@H](C)C[C@@]2(Cc3ccc(-c4cc(F)ccc4OCC4CCCCO4)cc3C2=O)C[C@@H]1C,DKAAHSMXKVFNEA-DWHBNZJTSA-N
-rxn:4:182376:225436,CO[C@H]1[C@H](C)C[C@@]2(Cc3ccc(-c4ccc(CN5CCCCC5)cc4)cc3C2=O)C[C@@H]1C,MJCIGGFMTRUVDA-RSQCUOPESA-N
-rxn:4:182848:223497,CC(c1ccc(-c2ccc3c(c2Cl)C(=O)CC3)cc1)N1CCC(O[Si](C)(C)C(C)(C)C)CC1,JJWTWPRBDOROIP-UHFFFAOYSA-N
-rxn:4:183039:223493,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1cc(C)c2c(c1)C(=O)CC2,HPBREDPZGQPZBR-UHFFFAOYSA-N
-rxn:4:183239:223598,CC1(C)COc2cccc(-c3ccc(OCCN4CCC5(CC4)OCCO5)c(F)c3)c2OC1,IPCXDIXLBIJWPG-UHFFFAOYSA-N
-rxn:4:183272:225605,Cc1cnc(OC2CCCC2)c(-c2ccc3c(c2)OCCOCCOCCOCCOCCO3)c1,BPTHMIKRGDQLCH-UHFFFAOYSA-N
-rxn:4:183274:227648,c1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCOCCO3)cc(-c2cncs2)n1,DJAPOPANUNNIAU-UHFFFAOYSA-N
-rxn:4:183379:224971,CN1CCN(Cc2ccc(-c3cc4c(c5c3OC(C)(C)C=C5)OC(C)(C)OC4=O)cc2)CC1,WWOVFZBCVZDHMH-UHFFFAOYSA-N
-rxn:4:183534:225163,CCOC(=O)Cc1cc(C(F)(F)F)c(-c2ccccc2C(=O)N2CCOCC2)cc1C#N,OVVOAYJHSKGTEZ-UHFFFAOYSA-N
-rxn:4:183569:224100,CCOC(=O)Cc1ccc(-c2ccccc2OCCN2CCC(C)CC2)c(C#N)c1OC,VGBUPXMOQSJOTN-UHFFFAOYSA-N
-rxn:4:183599:224364,CON(C)C(=O)c1cc(OCC(F)(F)F)cc(-c2cc(OCC(C)C)cc(OC(F)(F)F)c2)c1,QTPDJJYQYDVCEY-UHFFFAOYSA-N
-rxn:4:183646:223579,CC1CN(C(=O)OC(C)(C)C)CCN1c1ccc(-c2ccc(C(=O)ON3C(=O)CCC3=O)c(OCC(F)(F)F)c2)cc1,SHFABWGONFZAHC-UHFFFAOYSA-N
-rxn:4:183704:225353,COC(=O)c1ccc(-c2ccc(OC[C@@H]3CCCN3C(=O)OC(F)(F)F)c(F)c2)cc1C(F)(F)F,VDAPEUQWXHGDSL-AWEZNQCLSA-N
-rxn:4:183742:222439,O=C(CCCOc1ccc(-c2ccc(S(=O)(=O)NC3CCCCC3)cc2C(F)(F)F)cc1)N1CCCC1,CRDUJGKWCSPJNV-UHFFFAOYSA-N
-rxn:4:183765:223093,COC(=O)CSC1CCN(S(=O)(=O)c2ccccc2-c2cncc(NS(=O)(=O)C(C)C)c2)C1,AZVXSTOEKYWWBU-UHFFFAOYSA-N
-rxn:4:183772:223180,CONC(=O)c1ccc(-c2ccc(OC(F)(F)F)cc2OCC(=O)N2CCCC(F)(F)C2)cc1F,UDEDJTIBERSKRJ-UHFFFAOYSA-N
-rxn:4:183798:225356,CCOc1ccc(C(F)(F)F)c(F)c1-c1ccc(C(=O)N2CCOCC2)c(OCCOC)c1,UEHIFEIGZPIZCC-UHFFFAOYSA-N
-rxn:4:183831:223663,CC(C)(C)OC(=O)N(Cc1ccc(F)cc1-c1cc(OCc2ccccc2)cc(OC(F)(F)F)c1)C1CC1,PSNMHZDTEURWEB-UHFFFAOYSA-N
-rxn:4:183836:226247,CCOc1ccc(-c2ccc(OCC(=O)N(CC)C3CCS(=O)(=O)C3)cc2)c(OCC)c1,VGBXCBXYEQDIJD-UHFFFAOYSA-N
-rxn:4:183837:225716,COCCOCc1cc(F)ccc1-c1ccc(OCC(=O)N2CCC(C(=O)OC)CC2)cc1,OTUYGLXKULUJGD-UHFFFAOYSA-N
-rxn:4:183910:222807,COC(=O)c1cc(OCCN2CCOC(C)C2)cc(-c2cc(C(=O)NC3CC3)cc([N+](=O)[O-])c2)c1,MNHDWUABOFUXQG-UHFFFAOYSA-N
-rxn:4:183913:222898,COC(=O)CNC(=O)c1ccc(-c2cc(OC(F)(F)F)ccc2OCCN2CCCCC2C)cc1,DVAQOSPEXOZEGV-UHFFFAOYSA-N
-rxn:4:183932:226016,Cc1cc(-c2ccc(OCC(F)(F)F)cc2Cl)ccc1CN(C(=O)OC(C)(C)C)C1CC1,AXXJRDDRLPVWDQ-UHFFFAOYSA-N
-rxn:4:183958:223730,Cc1ccc(C(C)C)c(OCc2ccc(-c3ccc(OCC4CCN(C(=O)OC(C)(C)C)C4)cc3)cc2)c1,BGMWSKVBMFAKSC-UHFFFAOYSA-N
-rxn:4:183965:226527,CCOC(=O)c1ccc(F)cc1-c1cc(OCCN2CCCC(C)C2)cc(C(=O)OC)c1,ZCHBWBWBQRXPII-UHFFFAOYSA-N
-rxn:4:183984:224426,Cc1cc(-c2cc(C3CCCCC3)cc(C3CC3)c2)ccc1CN(C(=O)OC(C)(C)C)C(C)C,QDZKDQAYIDMZOG-UHFFFAOYSA-N
-rxn:4:183985:223930,Cc1cc2c(cnn2C(=O)OC(C)(C)C)cc1-c1ccc(O[Si](C(C)C)(C(C)C)C(C)C)cc1C#N,PMVNKKJXVIQTCC-UHFFFAOYSA-N
-rxn:4:184027:225286,CC(C)(C)OC(=O)c1cnc(F)cc1-c1ccc(OCC2CCN(C(=O)OC(C)(C)C)CC2)c(F)c1,XCRCVRXQPXVYTQ-UHFFFAOYSA-N
-rxn:4:184030:224239,CC(C)(C)OC(=O)N1CCC(COc2cccc(F)c2-c2ccc(F)c(F)c2OCc2ccccc2)CC1,TTXHEDJTRXJKHW-UHFFFAOYSA-N
-rxn:4:184034:224244,CCOC(=O)C1CCN(S(=O)(=O)c2cc(-c3ccc(Cl)c(C(=O)N4CCC(C)CC4)c3)c(C)cc2OC)CC1,WZPWIKJNRMJVNU-UHFFFAOYSA-N
-rxn:4:184034:227528,CCOC(=O)C1CCN(S(=O)(=O)c2cc(-c3ccc(C(=O)OC)c(F)c3)c(C)cc2OC)CC1,PDBCWXBPZATYHK-UHFFFAOYSA-N
-rxn:4:184056:223599,COc1cc(OC2CCN(C(=O)OC(C)(C)C)CC2)ccc1-c1cc2cc(C(F)(F)F)ccc2n1C(=O)OC(C)(C)C,POQZIMMLSVJPDW-UHFFFAOYSA-N
-rxn:4:184062:226062,Cc1cc(CN(C(=O)OC(C)(C)C)C2CCCC2)ccc1-c1cc(C(C)C)cc(C(C)C)c1,ZDRFYTNLFPDXIL-UHFFFAOYSA-N
-rxn:4:184063:224645,COc1cc(C(=O)N2CCCC2)ccc1-c1ccc(CN(C(=O)OC(C)(C)C)C2CCCC2)c(C)c1,AAPYBEMQEGMKRI-UHFFFAOYSA-N
-rxn:4:184095:228447,CC(C)(C)[Si](C)(C)OC[C@H]1CCCN1S(=O)(=O)c1ccc(-c2cccc(C(F)F)c2F)cc1,RBQXCLVUPRCXPA-GOSISDBHSA-N
-rxn:4:184096:225553,CC(C)N(C)C(=O)c1ccc(-c2ccc(CN(C(=O)OC(C)(C)C)C3CCC(C)(C)CC3)cc2)cc1,MZLPAKHCCOLMSY-UHFFFAOYSA-N
-rxn:4:184096:227990,CC(C)c1cc(Cl)ccc1-c1ccc(CN(C(=O)OC(C)(C)C)C2CCC(C)(C)CC2)cc1,QHIZMWORZQFIES-UHFFFAOYSA-N
-rxn:4:184096:228174,CC(=O)Oc1ccc(-c2ccc(CN(C(=O)OC(C)(C)C)C3CCC(C)(C)CC3)cc2)cc1,VGQPNGILQBRPMX-UHFFFAOYSA-N
-rxn:4:184099:228624,CSc1cc(-c2ccc(C(C)N(C(=O)OC(C)(C)C)C3CCC(C)(C)CC3)cc2)ccc1C,NIAFDRZUZOBVPO-UHFFFAOYSA-N
-rxn:4:184130:225059,CCCCC(CC)CN1C(=O)c2ccc(-c3ccc(N4CCC(C)CC4)cc3Cl)cc2C1=O,RHAGGADEKVYATC-UHFFFAOYSA-N
-rxn:4:184181:222637,CC(NC(=O)OC(C)(C)C)c1ccc(-c2ccc(CN(C(=O)OC(C)(C)C)C(C)C)c3ccccc23)cc1,KDNCPOANIZLZTQ-UHFFFAOYSA-N
-rxn:4:184213:223637,Cc1ccc(C(=O)C(C)OC(=O)c2cc(-c3ccccc3)nc3ccc(-c4ccccc4C4CCCN(C(=O)OC(C)(C)C)C4)cc23)cc1,CPPLHCSWYGKZLQ-UHFFFAOYSA-N
-rxn:4:184222:224420,Cc1cc2c(cc1-c1ccc(CN(C(=O)OC(C)(C)C)C3CCCCC3)c3ccccc13)C(C)(C)CCC2(C)C,SFZLUYZLGNCFEZ-UHFFFAOYSA-N
-rxn:4:184222:227274,CC(=O)SCc1ccc(-c2ccc(CN(C(=O)OC(C)(C)C)C3CCCCC3)c3ccccc23)cc1,XUWPGFVQYRZYGX-UHFFFAOYSA-N
-rxn:4:184222:227359,COC(=O)c1cccc(-c2ccc(CN(C(=O)OC(C)(C)C)C3CCCCC3)c3ccccc23)c1C,DEKZOMWDSLBEBY-UHFFFAOYSA-N
-rxn:4:184224:223536,Cc1ccc(C(=O)C(C)OC(=O)c2cc(-c3ccccc3)nc3c(C)cc(-c4cc(F)c(F)c(N5CCN(C(=O)OC(C)(C)C)CC5)c4)cc23)cc1,ZZYIVDJBEGANOX-UHFFFAOYSA-N
-rxn:4:184224:223904,Cc1ccc(C(=O)C(C)OC(=O)c2cc(-c3ccccc3)nc3c(C)cc(-c4cccc(C5CN(C(=O)OC(C)(C)C)C5)c4)cc23)cc1,URANAYLWECHFSY-UHFFFAOYSA-N
-rxn:4:184240:224666,CC(C)OCCCN1C(=O)c2oc3ccc(-c4ccc(F)c(CN5CCN(C)CC5)c4)cc3c(=O)c2C1c1ccccc1F,RAFJQZHTURAJHO-UHFFFAOYSA-N
-rxn:4:184328:223842,CCOC(=O)CC(=O)c1ncccc1-c1cc(F)c(F)cc1S(=O)(=O)N1CCC(C)CC1,DOAPCKHGAXIQJG-UHFFFAOYSA-N
-rxn:4:184388:222723,COC(=O)Cc1c(C#N)ccc(C(F)F)c1-c1cccc(NS(=O)(=O)N2CCOCC2)c1,RHQRNQTUHNNOAJ-UHFFFAOYSA-N
-rxn:4:184605:224373,COc1ccc(-c2ccc(OCC(=O)C3CC3)c([N+](=O)[O-])c2)cc1S(=O)(=O)N1CCCC1,VEOCRNCBNNDWBA-UHFFFAOYSA-N
-rxn:4:184724:222651,CN(C(=O)COc1ccc(F)c(-c2cc(C(=O)NC3CCCCC3)ccc2F)c1)C1CC1,UGWQVOJIRZFSOJ-UHFFFAOYSA-N
-rxn:4:184739:225341,CCOc1ccc(OC(F)(F)F)c(-c2cc(C(F)(F)F)ccc2OCC(=O)N2CCC2)c1,WJDVGRHUKHMYQB-UHFFFAOYSA-N
-rxn:4:184820:223583,COC(=O)c1ccc2c(-c3ccc(CCC(=O)OC(C)(C)C)nc3)cn(C(=O)OC(C)(C)C)c2c1,VWTVZKBCRFPKSI-UHFFFAOYSA-N
-rxn:4:184834:222426,CCN(CC)Cc1cc(-c2ccc3c(c2)C2(CCN(C(=O)OC(C)(C)C)CC2)C(=O)N3)cc(C(F)(F)F)c1,RAHWLEDKVNEDEL-UHFFFAOYSA-N
-rxn:4:184882:225220,CC1CCCCN1c1ncc(-c2ccc(CC(=O)N3CCCC3)c(OC(F)(F)F)c2)cc1Cl,NONOMICJHKPGFS-UHFFFAOYSA-N
-rxn:4:184891:226502,CC(C)(C)OC(=O)n1ccc(-c2cc(C(F)(F)F)ccc2OCC(=O)N2CCCC2)c1,FOYUGHINHXGEDR-UHFFFAOYSA-N
-rxn:4:184916:223810,Cc1cc(-c2ccc(C(=O)N3CCC3)c(OCC3CC3)c2)cc(C)c1S(=O)(=O)N1CCC(C)CC1,SIITUSWEFAQRCK-UHFFFAOYSA-N
-rxn:4:184919:222913,CCN(C(=O)c1ccc(-c2ccc(CNS(=O)(=O)C3CC3)cc2)c(C(F)(F)F)c1)C(C)C,LMXIINUNKQEYGZ-UHFFFAOYSA-N
-rxn:4:184922:222524,COC(=O)c1cc(OC2CCCC2)c(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC(O)CC2)cc1[N+](=O)[O-],XGXGQTWMUWSTBS-UHFFFAOYSA-N
-rxn:4:184931:226473,COC(=O)CN1C(=O)C(=Cc2ccc(OC)c(-c3cccnc3OCCN(C)C)c2)SC1=S,FYWOBARJLHYYSH-UHFFFAOYSA-N
-rxn:4:184935:224835,CCN(C(=O)OC(C)(C)C)c1ccc(-c2cc(C(F)(F)F)nn2S(=O)(=O)N(C)C)cc1,MBXFIBDHXFTLFM-UHFFFAOYSA-N
-rxn:4:185071:224621,COc1ccc(S(=O)(=O)C2CN(C(=O)c3ccc(-c4ccc(OCCN5CCSCC5)cc4)o3)C2)cc1,OKQKQVIHGCSDMW-UHFFFAOYSA-N
-rxn:4:185103:224971,CCCOc1ccc(-c2ccc(CN3CCN(C)CC3)cc2)cc1S(=O)(=O)N1CCOCC1,TZPYWEBJZCPHGV-UHFFFAOYSA-N
-rxn:4:185105:222907,CC(C)CS(=O)(=O)C1CN(C(=O)c2ccccc2-c2ccncc2NC(=O)OC(C)(C)C)C1,PMSZXKVFQIVSIL-UHFFFAOYSA-N
-rxn:4:185118:225342,CN(C)C(=O)c1cc(-c2cccc(S(=O)(=O)CC(=O)N3CCC(C(F)(F)F)CC3)c2)cc([N+](=O)[O-])c1,GOHZQRHXEQYWHL-UHFFFAOYSA-N
-rxn:4:185145:222742,CCOC(=O)C1CCCN(S(=O)(=O)c2ccc(-c3cc(C4CCNCC4)nc(C4CC4)c3)cc2)C1,USCCBNSUMHXHLB-UHFFFAOYSA-N
-rxn:4:185145:225641,CCOC(=O)C1CCCN(S(=O)(=O)c2ccc(-c3ccnc(N4CCCC(C)C4)c3)cc2)C1,SZMUIKPNDNBAPC-UHFFFAOYSA-N
-rxn:4:185155:224006,COC(=O)c1ccc(-c2cc3cc(OC(F)(F)F)ccc3nc2OC)cc1CN1CCC(C(F)(F)F)CC1,XZQRJHRZTRTDFE-UHFFFAOYSA-N
-rxn:4:185156:224616,COC(=O)c1cc(-c2ccccc2OCCN2CCOCC2)ccc1CN1CCC(C(F)(F)F)CC1,KQJOIFDGBYNVFK-UHFFFAOYSA-N
-rxn:4:185172:224735,CC(C)COc1cc(-c2ccc(C(=O)N3CCCC3CS(=O)(=O)c3ccccc3)o2)ccc1C(F)(F)F,PNGFGSOROMXTEE-UHFFFAOYSA-N
-rxn:4:185201:224198,CCN1CCN(Cc2ccc(-c3ccc(C4CN(C(=O)OC(C)(C)C)C4)cc3OC)c(F)c2)CC1,FLAMWIWPCVAZBX-UHFFFAOYSA-N
-rxn:4:185224:225898,COc1cc(-c2cnn(CCN3CCOCC3)c2)cc(OC)c1C(=O)N1CCC(C(F)(F)F)CC1,HRHGNHZJMJFJJV-UHFFFAOYSA-N
-rxn:4:185259:223079,CC(C)NS(=O)(=O)c1cccc(-c2cc(C(C)C)ccc2OCC(=O)N2CCCCC2)c1,KMIVPIUJKXBFIT-UHFFFAOYSA-N
-rxn:4:185271:224765,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3cc(C(F)(F)F)ccc3N3CCCC3)cc2Cl)(C(F)(F)F)C1,JFJXOMFYMFLNBF-UHFFFAOYSA-N
-rxn:4:185275:222804,O=C(c1ccccc1)N(Cc1cccc(-c2ccc(NC3CCS(=O)(=O)CC3)cc2)c1)C1CCS(=O)(=O)C1,NLHSTMZPFOONDK-UHFFFAOYSA-N
-rxn:4:185282:222895,CCCCS(=O)(=O)Nc1ccc(-c2cccc(CN(C(=O)c3ccccc3Cl)C3CCS(=O)(=O)C3)c2)cc1,LVOWZNQCZVCWFR-UHFFFAOYSA-N
-rxn:4:185316:223167,CC(C)(C)OC(=O)N1CC(c2ccc(-c3ccnc(N4CCNCC4)c3)c(C3CC3)c2)C1,WBTMEZSONVVZHF-UHFFFAOYSA-N
-rxn:4:185318:223167,CC(C)(C)OC(=O)N1CC(c2cc(-c3ccnc(N4CCNCC4)c3)cc(C3CC3)c2)C1,LMQPXKWRKROSKK-UHFFFAOYSA-N
-rxn:4:185327:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3ccc(C(=O)C(CN4CCOCC4)c4ccccc4)cc3)c2)CC1,QJNOTBMHVXESIB-UHFFFAOYSA-N
-rxn:4:185337:223596,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)ccc2-c2ccccc2S(=O)(=O)N2CCCC2CS(=O)(=O)c2ccccc2)CC1,FSGAYZMLZZNHEV-UHFFFAOYSA-N
-rxn:4:185350:224273,CC(C)CS(=O)(=O)C1CCN(C(=O)c2cccc(-c3cc4ncccc4n3C(=O)OC(C)(C)C)c2)CC1,AMTGBRJHZNVYOV-UHFFFAOYSA-N
-rxn:4:185353:227790,CC(C)(C)S(=O)(=O)C1CCN(C(=O)Cc2ccc(-c3ccc(Cl)nc3C(F)(F)F)cc2)C1,FDRXZTPFTCOVMN-UHFFFAOYSA-N
-rxn:4:185370:226843,CC(CN1C(C)CCCC1C)OC(=O)c1ccc(-c2ccc(C(=O)C(F)(F)F)nc2)cc1,VOHQXGBMMOBPRC-UHFFFAOYSA-N
-rxn:4:185371:226339,CC(C)(C)OC(=O)N1CCC(Cc2ccc(-c3cc(C#N)cc(Cl)c3C3CC3)cc2)CC1,BANLUTIDGCMFMJ-UHFFFAOYSA-N
-rxn:4:185377:226034,COc1c(Cl)cc(-c2ccc(S(=O)(=O)C3CCN(C(=O)OC(C)(C)C)CC3)cc2)cc1C(F)(F)F,BKYDEEPORBUVMP-UHFFFAOYSA-N
-rxn:4:185377:226853,COc1ccc(Cl)c(-c2ccc(S(=O)(=O)C3CCN(C(=O)OC(C)(C)C)CC3)cc2)c1[N+](=O)[O-],AGVTZCOBXJSNKR-UHFFFAOYSA-N
-rxn:4:185402:222513,CCCOc1ccc(-c2cc(S(=O)(=O)NC3CCCCC3)ccc2OC)cc1S(=O)(=O)N1CC(C)CC(C)C1,DVDLTOSIMRFDSQ-UHFFFAOYSA-N
-rxn:4:185417:225389,CCC(C)c1cc(-c2ccc(C(=O)N(c3ccc(C(C)C)cc3)C3C=CS(=O)(=O)C3)cc2)cc(C2CC2)c1,GNHIGAFLRSHFMN-UHFFFAOYSA-N
-rxn:4:185425:222945,COc1ccc(-c2ccc(S(=O)(=O)NC(C)C)c(F)c2)cc1S(=O)(=O)N1CCC(Cc2ccccc2)CC1,DNBYFIYJYZRODG-UHFFFAOYSA-N
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-rxn:4:185433:225564,COC(=O)C(C)(C)c1cccc(-c2cc(C3CC3)cc(C3CCN(C(=O)OC(C)(C)C)CC3)c2)c1,NCLMTUHHMLRAHU-UHFFFAOYSA-N
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-rxn:4:185439:223951,CC1CN(C(=O)OC(C)(C)C)CCC1c1cc(-c2ccc(OCCN3CCN(C)CC3)c(F)c2)cc(C2CC2)c1,BVJNAZFMZSODBK-UHFFFAOYSA-N
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-rxn:4:185543:223078,CCNS(=O)(=O)c1ccc(-c2ccc3c(c2)CCOC3CN(C)C(=O)OC(C)(C)C)c(C)c1,PVDRFCRINQONBJ-UHFFFAOYSA-N
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-rxn:4:186521:223481,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3cc(SCc4ccccc4)c([N+](=O)[O-])cc3F)c(F)c2)CC1,UIPVQSZJPRRMDE-UHFFFAOYSA-N
-rxn:4:186541:225319,O=C(ON1C(=O)CCC1=O)c1c(-c2cc(F)c(F)c(N3CCOCC3)c2)cccc1C(F)(F)F,NPQKABUYRLHSMR-UHFFFAOYSA-N
-rxn:4:186713:224318,CN1CCN(C(=O)c2ccc(-c3ccc(OCC(=O)N4CCCC4)c(F)c3)cc2F)CC1,LLSGDAFZURZRQL-UHFFFAOYSA-N
-rxn:4:186797:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3cc(Cl)ccc3OCC(=O)N3CCOCC3)cc2)CC1,FZDKAVGNQFHESA-YHBQERECSA-N
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-rxn:4:187015:222447,COc1ccc2c(c1-c1cc(OC(F)(F)F)cc(C(=O)N3CCCCC3)c1)N=C(NC(=O)OC(C)(C)C)C2,UVAZMQIOKYBOCQ-UHFFFAOYSA-N
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-rxn:4:187229:226014,COc1ccc(S(=O)(=O)OC)cc1-c1cc(OC)c(S(=O)(=O)N2CCOCC2)cc1OC,QXVMOYVXBHYMHJ-UHFFFAOYSA-N
-rxn:4:187245:225294,CCN1CCN(c2ncc(-c3ccc(CN4CCC(F)(F)CC4)c(C(=O)OC)c3)cn2)CC1,CHELQTNSJLYEBA-UHFFFAOYSA-N
-rxn:4:187250:224619,COC(=O)c1ccc(-c2ccc(OCCN3CCCC3)c(F)c2)c(CN2CCCC(F)(F)C2)c1,HYZZICKVCQEOSU-UHFFFAOYSA-N
-rxn:4:187310:223945,CC1CCCCN1CCOc1c(F)cc(Cl)cc1-c1ccc(OCCCN2CCOCC2)c(F)c1,FFFQOFHGAVQQQG-UHFFFAOYSA-N
-rxn:4:187312:224328,CC1CCN(CCOc2c(F)cc(Cl)cc2-c2cccc(S(=O)(=O)N3CCCCC3C)c2)CC1,XPWUIIYYVCYNBA-UHFFFAOYSA-N
-rxn:4:187313:223999,CCOc1ccc(-c2cc(S(=O)(=O)N3CCC(C)CC3)ccc2F)cc1S(=O)(=O)N1CCCCC1,JADLBJIKJFLECL-UHFFFAOYSA-N
-rxn:4:187349:222705,O=S(=O)(c1ccc(F)cc1)C1CN(S(=O)(=O)c2ccccc2-c2cc(C3CCNCC3)cc(C(F)(F)F)c2)C1,MSEZJRMNLWCCRW-UHFFFAOYSA-N
-rxn:4:187495:222895,CCCCS(=O)(=O)Nc1ccc(-c2ccc(C3=CCN(C(=O)OC(C)(C)C)CC3)cc2)cc1,GPBXNMMQQJOXPQ-UHFFFAOYSA-N
-rxn:4:187505:223539,COc1ccc(-c2ccc(C3CN(C(=O)OC(C)(C)C)CCO3)c(Cl)c2)cc1S(=O)(=O)N1CCC2(CC1)OCCO2,NBSMSBNITKPZKY-UHFFFAOYSA-N
-rxn:4:187506:222918,CC(C)(C)NS(=O)(=O)c1cccc(-c2ccc(C3CN(C(=O)OC(C)(C)C)CCO3)cc2F)c1,KGKFLGDFGMDPKB-UHFFFAOYSA-N
-rxn:4:187511:222543,CC(C)(C)OC(=O)NC1(c2ccc(-c3cccc(C(=O)c4ccc(CN5CCSCC5)cc4)c3)cc2)CC1,VTXCGTFBMMFVAK-UHFFFAOYSA-N
-rxn:4:187571:224621,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3ccc(OCCN4CCSCC4)cc3)cc2)CC1,KPHOPWZRVUTPKH-UHFFFAOYSA-N
-rxn:4:187574:223079,CC(C)NS(=O)(=O)c1cccc(-c2ccccc2C2CCN(C(=O)OC(C)(C)C)CC2)c1,OEZSHIXILPSGCM-UHFFFAOYSA-N
-rxn:4:187587:223904,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3cccc(C4CN(C(=O)OC(C)(C)C)C4)c3)cc2Cl)CC1,XQZPWHDKIKHXGS-UHFFFAOYSA-N
-rxn:4:187588:222918,CC(C)(C)NS(=O)(=O)c1cccc(-c2ccc(C3(F)CCN(C(=O)OC(C)(C)C)CC3)cc2)c1,SJGGKZMGCMTDRH-UHFFFAOYSA-N
-rxn:4:187589:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2cc(C3CCCN(C(=O)OC(C)(C)C)C3)ccc2F)cc1,VWXIECRXXITPPI-UHFFFAOYSA-N
-rxn:4:187592:224970,CC(C)(C)OC(=O)N1CCC(c2ccc(F)c(-c3ccc(S[Si](C)(C)C(C)(C)C)cc3)c2)CC1,KJKVKYSBHWZCPF-UHFFFAOYSA-N
-rxn:4:187597:223221,CC(=O)NCc1cccc(-c2cccc(C(=O)N3CC(S(=O)(=O)C4CCCCC4)C3)c2)c1,UGZIGGDBBRPWEE-UHFFFAOYSA-N
-rxn:4:187643:223226,CCC(=O)Nc1cccc(-c2ccccc2CCC(=O)N2CCC3(CC2)OCCCO3)c1,JDBUOXWVILTEHO-UHFFFAOYSA-N
-rxn:4:187666:223604,Cc1ccc(-c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)cc1C1CCN(C(=O)OC(C)(C)C)CC1,DLMKRSUPIHJQQU-UHFFFAOYSA-N
-rxn:4:187667:224157,Cc1c(-c2cn(C(=O)OC(C)(C)C)c3ccccc23)cccc1C1CCCN(C(=O)OC(C)(C)C)C1,DZXVMZPKTDTPDS-UHFFFAOYSA-N
-rxn:4:187689:223077,O=C(c1ccc(CN2CCC3(CC2)OCCO3)cc1)c1ccc(-c2ccc(S(=O)(=O)NC3CC3)cc2)cc1F,NYUFZKYDSUMMDJ-UHFFFAOYSA-N
-rxn:4:187812:223597,O=C(OCc1ccccc1)N1Cc2ccc(-c3ccc(OCCN4CCC5(CC4)OCCO5)c(Cl)c3)cc2C1,YOEFCJMBJQUELT-UHFFFAOYSA-N
-rxn:4:187822:224188,CC(C)N(C(=O)c1ccc(-c2ccc3c(c2)CN(CC(=O)OC(C)(C)C)C3=O)c(Cl)c1)C(C)C,LNAWQKXKWSQWQG-UHFFFAOYSA-N
-rxn:4:187847:224775,CC(C)(C)OC(=O)N1CCc2cc(-c3cnc(C(F)(F)F)c(C4CCCC4)c3)c(C(F)F)cc21,LNIRGRJPHXWMCG-UHFFFAOYSA-N
-rxn:4:187896:224719,COc1ccc2cc(C(=O)C(C)=CN(C)C)ccc2c1-c1cn(C(=O)OC(C)(C)C)nc1C(C)C,MTIOVUZOCJQBFV-UHFFFAOYSA-N
-rxn:4:187951:223846,Cc1cc(-c2cc(C(C)C)c(S(=O)(=O)Oc3ccc(Cl)c4cccnc34)cc2C)cc(C2CC3CCC2(C)C3(C)C)c1,JDGNHKCKSVODQZ-UHFFFAOYSA-N
-rxn:4:187961:222746,COC(=O)Cc1cc2c(n1-c1ccc(-c3ccc(CNC(=O)OC(C)(C)C)cc3)cc1)CC(C)(C)CC2=O,QNEDOQYCMMROHE-UHFFFAOYSA-N
-rxn:4:187985:224842,CC(C)(C)OC(=O)N1CCC2(c3ccc(-c4ccc5c(c4)C(C)(C)CCC5(C)C)cc3)CCOCC12,CXCFQRAWFAORGS-UHFFFAOYSA-N
-rxn:4:187989:223787,CN1CCN(CCCOc2ccc(-c3ccccc3C(=O)Oc3ccc4c(c3)OC(=Cc3cn(C)c5ccccc35)C4=O)cc2F)CC1,PBUGZMQCFCTRAK-UHFFFAOYSA-N
-rxn:4:188026:226062,CC(C)c1ccc(C2c3c(oc4ccc(-c5cc(C(C)C)cc(C(C)C)c5)cc4c3=O)C(=O)N2CC2CCCO2)cc1,PMINQSNXWGNLBU-UHFFFAOYSA-N
-rxn:4:189333:223562,CN(C)Cc1ccc(-c2ccc(CC3CCN(C(=O)OC(C)(C)C)CC3)cc2)cc1C(F)(F)F,TYSNZPFRCMUOFQ-UHFFFAOYSA-N
-rxn:4:189517:223077,O=S(=O)(NC1CC1)c1ccc(-c2cc(C(F)(F)F)cc(S(=O)(=O)N3CC(F)(F)C3)c2)cc1,UOZUZNJSMSYXFO-UHFFFAOYSA-N
-rxn:4:189627:223845,CN1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2ncccc2OCC2CCOCC2)CC1,TUADIECRAYFEPS-UHFFFAOYSA-N
-rxn:4:189630:223559,COC(=O)c1cc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)cc(C(C)(C)C)n1,GRYITLGTSDZMEJ-UHFFFAOYSA-N
-rxn:4:189811:223832,COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1-c1ccc(OC)c(C2(C#N)CCCC2)c1,VDBCJVHBUQAVOD-UHFFFAOYSA-N
-rxn:4:189849:223526,CC(C(=O)c1ccc(-c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cc2)cc1)N1C(=O)CCC1=O,JGFBECKRGBGRTA-UHFFFAOYSA-N
-rxn:4:189875:224802,COC(OC)c1ccc(-c2cccc(C(F)(F)F)c2C(=O)N2CCOCC2)c(C(F)(F)F)c1,PUQRVXUSIABTSH-UHFFFAOYSA-N
-rxn:4:189938:222604,COc1ccc(-c2cccc(S(=O)(=O)N3CCC(OC)C3)c2)cc1S(=O)(=O)NC1CCCC1,VMYIUOCZQPGYKI-UHFFFAOYSA-N
-rxn:4:189944:223953,COCCN1CCN(c2cc(F)cc(-c3cccc(CS(=O)(=O)N4CCOCC4)c3)c2)CC1,BVTCOVJRJLLSOS-UHFFFAOYSA-N
-rxn:4:189956:224420,COc1cc(-c2cc3c(cc2C)C(C)(C)CCC3(C)C)cc(C(=O)N2CCSCC2)c1F,MEEZANRWXRNKFC-UHFFFAOYSA-N
-rxn:4:190017:224178,COc1cc(S(=O)(=O)N2CCOCC2)ccc1-c1cccc(OCCN2CCN(C)CC2)c1,MWMXHDZOBXUVBA-UHFFFAOYSA-N
-rxn:4:190053:224714,CCCCOc1ccc(-c2cccc(C(F)(F)F)c2C(=O)N2CCCCC2)cc1C(F)(F)F,LBIXUUXIRAQKQK-UHFFFAOYSA-N
-rxn:4:190072:225182,O=C(c1cc(-c2ccnc(OC3CCCCC3)c2Cl)ccc1Cl)N1CCCCC1C(F)(F)F,YDGARYBCDGEZLE-UHFFFAOYSA-N
-rxn:4:190085:225535,CCN(CC)Cc1cc(-c2cccc(C(F)(F)F)c2C(=O)N2CCC(F)(F)CC2)ccc1Cl,LXTGQDVJSCLVLP-UHFFFAOYSA-N
-rxn:4:190164:222447,COc1ccc2c(c1-c1ccccc1S(=O)(=O)N1CCC(C(F)(F)F)CC1)N=C(NC(=O)OC(C)(C)C)C2,VNHMTDCODIDRJM-UHFFFAOYSA-N
-rxn:4:190170:225005,CC(c1cccc(-c2ccc(C(F)(F)F)cc2CN2CCC(F)(F)CC2)c1)N1CCOCC1,FMVUDLWBWMHBTE-UHFFFAOYSA-N
-rxn:4:190174:223965,O=S(=O)(c1cc(-c2ccc(Oc3cccc(C(F)(F)F)c3)cc2)c(F)cc1F)N1CCCC(C(F)(F)F)C1,LNUJAISPNQMNMD-UHFFFAOYSA-N
-rxn:4:190222:222715,COc1ccc(-c2cc(Cl)c(F)c(NC(=O)OC(C)(C)C)c2)c(CN2CCC(F)(F)CC2)c1,BMAFLVUSJOLLDQ-UHFFFAOYSA-N
-rxn:4:190227:222604,COc1ccc(-c2cc(S(C)(=O)=O)ccc2CN2CCOCC2)cc1S(=O)(=O)NC1CCCC1,DJYRIQJEBKOEKD-UHFFFAOYSA-N
-rxn:4:190228:222514,COc1ccc(-c2ccc(C3CCCN3S(=O)(=O)C3CC3)cc2)cc1S(=O)(=O)NC1CCCCC1,VLYNSQOCKLXIHR-UHFFFAOYSA-N
-rxn:4:190228:224676,CN1CCN(C(=O)c2ccccc2-c2ccc(C3CCCN3S(=O)(=O)C3CC3)cc2)CC1,POABTDVFJPOFHF-UHFFFAOYSA-N
-rxn:4:190355:222957,Cc1cc(-c2cc(C(F)(F)F)cc(S(=O)(=O)N3CCC(C)CC3)c2)cc(C2CCCNC2)c1,CEEKQQZVCGLKNN-UHFFFAOYSA-N
-rxn:4:190379:222721,COc1cc(S(=O)(=O)N2CCCC(C)C2)ccc1-c1cc(C2CCNCC2)nc(C(F)(F)F)c1,FMHBZAACBVDWQT-UHFFFAOYSA-N
-rxn:4:190388:222901,CCCS(=O)(=O)NCc1ccc(-c2ccc(C3CCN(S(=O)(=O)C4CC4)CC3)cc2)cc1,NIEPWOGLZDXOHL-UHFFFAOYSA-N
-rxn:4:190394:222719,CC(C)C(=O)C1CCCN(c2cc(-c3cc(C4CCCNC4)nc(C(F)(F)F)c3)ccc2F)C1=O,WMUBAAITSDLTMO-UHFFFAOYSA-N
-rxn:4:190396:223072,CCCNS(=O)(=O)c1ccc(-c2cccc(N3CCCC(C(=O)C(C)C)C3=O)c2F)cc1,HCNCFMGVXLDKGB-UHFFFAOYSA-N
-rxn:4:190426:224663,CC(C)S(=O)(=O)N1CCC(c2ccc(-c3ccc(CN4CCN(C)CC4)c(F)c3)cc2)CC1,PMGHEDVUDJPTHU-UHFFFAOYSA-N
-rxn:4:190448:223567,Cc1cccc(N2CCCC(C(=O)C(C)C)C2=O)c1-c1cc2cc(OC(C)C)ccc2n1C(=O)OC(C)(C)C,ZYBMDUXWCZJKAQ-UHFFFAOYSA-N
-rxn:4:190468:224254,CC1CCCN(C(=O)c2cc(-c3ccc(S(=O)(=O)N4CCSC(c5cc(F)ccc5F)CC4)cc3)ccc2F)C1,VDLSMLQTHGYPGO-UHFFFAOYSA-N
-rxn:4:190487:222700,COc1cc(S(=O)(=O)N2CC(C)CC(C)C2)c(C)cc1-c1ccc(C(F)(F)F)cc1C1CCCNC1,VVZLEYRGWYJDJR-UHFFFAOYSA-N
-rxn:4:190854:224059,COc1c(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)C3)cc(C(C)(C)C)cc1C(C)(C)C,CCMYBDCTFFDPNE-UHFFFAOYSA-N
-rxn:4:190925:224690,COc1ccc(-c2ccc(CN3CCC(=O)CC3)cc2F)c(C(=O)N2C3C=CCC2CC3)c1,JJRIHJNLDYXEQJ-UHFFFAOYSA-N
-rxn:4:190933:224719,CC(C)c1nn(C(=O)OC(C)(C)C)cc1-c1ccc2c(c1)C(C)N(C(=O)OC(C)(C)C)C2=O,XCCYOTAALICDES-UHFFFAOYSA-N
-rxn:4:191001:222785,CC(C)(C)OC(=O)Nc1cc(-c2ccc3c(c2)CN(Cc2ccc(C(F)(F)F)cc2)C(=O)CO3)ccc1F,WPINWDPESBJSST-UHFFFAOYSA-N
-rxn:4:191006:222694,COC1CC2CCC(C1)N2S(=O)(=O)c1ccc(-c2cccc(S(=O)(=O)NC3CCCCC3)c2)cc1,JPUYFNQGUZOMTN-UHFFFAOYSA-N
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-rxn:4:202101:224271,CC1CN(C(=O)OC(C)(C)C)CCC1c1nc(-c2cc3cccnc3n2C(=O)OC(C)(C)C)cs1,NAAHOEHQJNPYFO-UHFFFAOYSA-N
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-rxn:4:202253:224399,CCC1(C)N=C(c2ccc(-c3ccc(N4CCOCC4)cc3C(F)(F)F)cc2)C(=S)N1C(=O)c1ccc(C)cc1,XRILQPZCAIASGP-UHFFFAOYSA-N
-rxn:4:202262:223666,CC(C)(C)[Si](C)(C)OC1CCN(c2ccc(-c3cccc(COc4ccc(OC(F)(F)F)cc4)c3)cn2)C1,XDSWESSDRKFDNS-UHFFFAOYSA-N
-rxn:4:202290:227992,COC1CCN(C2CCN(S(=O)(=O)c3ccc(-c4ccc(C5COC5)cc4)cc3)CC2)C1,NIHGTZYJPNSIPF-UHFFFAOYSA-N
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-rxn:4:202569:224709,CCCC(=O)N=C1SC2CS(=O)(=O)CC2N1c1ccc(-c2c(OC(F)(F)F)ccc3ccccc23)cc1F,LYWORMZKGHRNCT-UHFFFAOYSA-N
-rxn:4:202592:223894,CN1CCN(CCCOc2cccc(-c3c(CO[Si](C)(C)C(C)(C)C)nn4c3CCC4)c2)CC1,PSFMPIGGVWKUSM-UHFFFAOYSA-N
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-rxn:4:202715:224608,COC(=O)c1cc(OCC2CC2)cc(-c2ccc3oc(=O)c(C(=O)N4CCN(c5ccccc5OC)CC4)cc3c2)c1,MSFCPLQVGQLFRT-UHFFFAOYSA-N
-rxn:4:202723:225354,CCOc1cc(-c2ccc(S(=O)(=O)c3c(C(=O)N4CCCCC4)cnc4ccc(Cl)cc34)cc2)cc(C(F)(F)F)c1F,QGVTWMSTIZVVMR-UHFFFAOYSA-N
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-rxn:4:202756:227600,CCCCN1C(=O)C(=C2SC(=S)N(C3CCCCC3)C2=O)c2cc(-c3cnc(-n4cccc4)nc3)ccc21,NSCRHDIOYITNAS-UHFFFAOYSA-N
-rxn:4:202807:225723,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2ccc(OCCN(C)C)c(Cl)c2)cc1,JLVQOPABNDJGSB-UHFFFAOYSA-N
-rxn:4:202988:223520,COC(=O)C(C)n1cc(-c2ccc(C(C)N3CCN(C(=O)OC(C)(C)C)CC3)cc2)cn1,VBLNLOXURGNZCP-UHFFFAOYSA-N
-rxn:4:203048:223526,COC(=O)C(C)c1ncc(-c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cc2)cn1,XUCFIDNBPQVONA-UHFFFAOYSA-N
-rxn:4:203447:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3nc(C(=O)OC(C)(C)C)cn3C)cc21,ZBCSINMIECOTQA-UHFFFAOYSA-N
-rxn:4:203759:224958,O=[N+]([O-])c1cc(F)c(-c2cccc(OCC3CCCCO3)c2)cc1N1CCCC(C(F)(F)F)C1,VMXQRGNMDYBKHQ-UHFFFAOYSA-N
-rxn:4:203786:223562,CC(C)(C)OC(=O)N1CCC(Cc2ccc(-c3cccc(C(=O)N4CC(N5C(=O)CCC5=O)C4)c3)cc2)CC1,KZJCTXYXEXPXQA-UHFFFAOYSA-N
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-rxn:4:203897:224377,CCS(=O)(=O)N1CCN(c2cccc(-c3ccc(S(=O)(=O)N4CCN(C)CC4)cc3)c2)CC1,JGJBPLNFRMBGEK-UHFFFAOYSA-N
-rxn:4:203932:224326,COc1cc(N2CCC(C)CC2)c(-c2ccc(S(=O)(=O)N3CCCCC3)c(C)c2)cc1[N+](=O)[O-],NXFXZBYOPMMJRC-UHFFFAOYSA-N
-rxn:4:203937:222817,COc1ccc(S(=O)(=O)NC2CC2)cc1-c1ccccc1S(=O)(=O)N1CC(N2CCCC2)C1,GPRRUAOGFSQPTO-UHFFFAOYSA-N
-rxn:4:203953:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2ccccc2N2CCN(C(=O)C(C)C)CC2)cc1,CKODDIFSBSLTRS-UHFFFAOYSA-N
-rxn:4:204021:224248,CC1CCN(C(=O)c2ccc(-c3cccc(N4CCN(C(=O)C5CCC5)CC4)c3)cc2Cl)CC1,MCUASVANYYVNHR-UHFFFAOYSA-N
-rxn:4:204027:222695,Cc1ccc(-c2ccccc2CN2CCN(S(C)(=O)=O)C[C@@H]2C)cc1S(=O)(=O)NC1CCCC1,ZXSSZMPUIFFBIO-FQEVSTJZSA-N
-rxn:4:204068:223550,CC(C)c1cccc(C(C)C)c1OCc1ccccc1-c1ccc(N2CCN(C(=O)C(C)(C)C)CC2)cc1,IXMGZTWRJFPJBL-UHFFFAOYSA-N
-rxn:4:204102:223784,CCN1CCN(CCOc2ccc(-c3cc(C)c(S(=O)(=O)N4CCN(CC)CC4)c(C)c3)cc2F)CC1,KRQKAGBSDSCKGD-UHFFFAOYSA-N
-rxn:4:204108:224265,O=C(c1cncc(-c2cc(C3CCCCC3)cc(C(F)(F)F)c2)c1)N1CCC(c2ccccc2)S(=O)(=O)CC1,WJCHVPXGISJHTF-UHFFFAOYSA-N
-rxn:4:204114:223096,CC(=O)Nc1ccc([N+](=O)[O-])c(-c2ccc(C(=O)N3CCCN(C4CCSCC4)CC3)o2)c1,HRNMKEMLCIFWIQ-UHFFFAOYSA-N
-rxn:4:204114:225898,O=C(c1ccc(-c2cnn(CCN3CCOCC3)c2)o1)N1CCCN(C2CCSCC2)CC1,LUGANKCLDQVCGL-UHFFFAOYSA-N
-rxn:4:204130:225198,O=C(c1ccc(F)cc1)N1C(=S)C(c2ccc(-c3c(F)cccc3OC3CCCCO3)cc2)=NC12CCCC2,OIUGUTYRBNPDFB-UHFFFAOYSA-N
-rxn:4:204135:222920,Cc1cc(S(=O)(=O)NC2CC2)ccc1-c1ccccc1S(=O)(=O)N1CCCN(C2CCSC2)CC1,PTAYEIHUMXLRSX-UHFFFAOYSA-N
-rxn:4:204157:223813,Cc1cccc(C)c1N1CCN(S(=O)(=O)c2ccc(-c3ccc(CN4CCC5(CC4)OCCO5)c(F)c3)cc2)CC1,PMCQFBFMJLNBGI-UHFFFAOYSA-N
-rxn:4:204169:227390,CC1CN(Cc2ccc(-c3ccnn3C3CCCCC3)cc2N2CCCCC2)CCO1,IKXWLWZOQVOMTJ-UHFFFAOYSA-N
-rxn:4:204170:226432,CC1CCCCN1Cc1ccc(-c2ccc(C3CCCC3)nc2F)cc1N1CCCCC1,OOXCFSKOUZRDDG-UHFFFAOYSA-N
-rxn:4:204170:226612,CC1CCCCN1Cc1ccc(-c2cnc(N3CCCCC3)nc2)cc1N1CCCCC1,XMXGJOYJRMQHKX-UHFFFAOYSA-N
-rxn:4:204173:222524,Cc1cc(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)ccc1-c1cc(F)c(F)cc1S(=O)(=O)N1CCC(O)CC1,OCURHEZDAPUFJH-UHFFFAOYSA-N
-rxn:4:204174:226007,Cc1ccc(N2CCN(S(=O)(=O)c3cc(C)c(-c4ccc(F)c(OCC(F)(F)F)c4)cc3C)CC2)cc1Cl,UWDCMZHHVWXPCS-UHFFFAOYSA-N
-rxn:4:204544:222639,C[C@H](NC(=O)OC(C)(C)C)c1ccc(-c2ccc3c(n2)N(C(=O)OC(C)(C)C)CCO3)cc1,GDMJLKVGOSWQBA-INIZCTEOSA-N
-rxn:4:204557:222396,CC(C)(C)OC(=O)N1CCOc2cc(-c3ccc(C(=O)NC4CCC(O)CC4)cc3)cnc21,FQIWZKKGRCDKFF-UHFFFAOYSA-N
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-rxn:4:204599:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2ccnc3c2CCN(C(=O)OC(C)(C)C)C3)cc1,UIJZXWBGDXNVBP-UHFFFAOYSA-N
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-rxn:4:204647:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cncc2c1OCCN(C(=O)OC(C)(C)C)C2,IYXSOHBNQAAWFS-UHFFFAOYSA-N
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-rxn:4:204700:225234,O=C(c1ccc(-c2ccc(N3CCCCC3)c(F)c2F)o1)N1CC(N2C(=O)C3CC=CCC3C2=O)C1,JZLMSYUMNFGHLX-UHFFFAOYSA-N
-rxn:4:204816:224421,CCN1C(=O)C(=C2SC(=S)N(C(C)c3ccccc3)C2=O)c2cc(-c3c(C(C)C)cc(C(C)C)cc3C(C)C)ccc21,WBRWQIUMPUYITA-UHFFFAOYSA-N
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-rxn:4:204834:225257,CCOC(=O)COc1cc(F)cc(-c2cccc(N3C=C(C(=O)N4CCCCC4)S(=O)(=O)c4ccc(Cl)cc43)c2)c1,GMIQRXCVKMCNKV-UHFFFAOYSA-N
-rxn:4:204870:225254,Cc1cc(N2C=C(C(=O)N3CCCCC3)S(=O)(=O)c3ccc(F)cc32)ccc1-c1ccc(C(F)(F)F)c2cccnc12,ZNSHNYOGPIKFJF-UHFFFAOYSA-N
-rxn:4:204947:224953,CC12CC(c3ccccc3O1)N(C(=O)c1ccccc1-c1ccc(OCC3CCCCC3)nc1)C(=O)N2c1ccc(Cl)cc1,WCVUAUGPWPFEQG-UHFFFAOYSA-N
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-rxn:4:206613:222719,CN1CCN(C(=O)c2cc(-c3cc(C4CCCNC4)nc(C(F)(F)F)c3)c(Cl)o2)CC1,IKKXHUODPJGLMC-UHFFFAOYSA-N
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-rxn:4:206955:222723,CN1CCN(S(=O)(=O)c2ccc(-c3cccc(NS(=O)(=O)N4CCOCC4)c3)cc2)CC1,CFSDLKHLGDQNHH-UHFFFAOYSA-N
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-rxn:4:207965:223523,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc4c(c3)C3CC(c5ccc(OC)cc5)=NN3C3(CCC(C)CC3)O4)c3ccccc23)CC1,JYSYVEAFMSKTRB-UHFFFAOYSA-N
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-rxn:4:208990:223503,CC(C)(C)OC(=O)N1CCC(Oc2cc(F)c(-c3cnc(C4CCC4)nc3)c(F)c2)CC1,KESNPLWJXWTUHY-UHFFFAOYSA-N
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-rxn:4:209558:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cncc(N4CCOCC4=O)c3)ccn2)CC1,AIKPXNDVBMERAA-UHFFFAOYSA-N
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-rxn:4:211089:222846,N#CC1=C2CCCCCN2c2cc(-c3cc(C4CCCNC4)ccc3C#N)ccc2S1(=O)=O,HHKZMCTZSJNWDC-UHFFFAOYSA-N
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-rxn:4:211101:223186,Cc1ccc(C2=NN3C(C2)c2cc(-c4cnn(C5CCCCO5)c4)ccc2OC32CCC(C)CC2)cc1,FHELJBIKNDNXSM-UHFFFAOYSA-N
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-rxn:4:212526:224582,N#CC1CCN(CCOc2ccc([N+](=O)[O-])cc2-c2cccc(N3CCN(C4CC4)CC3)c2)CC1,JABIFSIBWIQRCF-UHFFFAOYSA-N
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-rxn:4:212685:222538,COC(=O)c1ccc(N2CCN(S(=O)(=O)c3ccc(-c4cc(C5CCCC5)nc(C5CCNCC5)c4)cc3)CC2)c([N+](=O)[O-])c1,GLLOTMAJJAZXJR-UHFFFAOYSA-N
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-rxn:4:212799:224393,CN(C)CCN(C(=O)C1CCCCC1)c1nc2ccc(-c3cc(C(F)(F)F)ccc3N3CCOCC3)cc2s1,XUXNGXVJCGLTFE-UHFFFAOYSA-N
-rxn:4:212814:224419,CC(C)(C)OC(=O)N1Cc2c(nn(C(=O)OC(C)(C)C)c2-c2ccc3c(c2)-c2ccccc2C3(C)C)C1(C)C,USIFKOGEHXOQMF-UHFFFAOYSA-N
-rxn:4:212828:222599,COc1ccc(-c2ccc(C(=O)Nc3cccc(Cl)c3)c(F)c2)c(C(=O)N(Cc2nn(C)c3c2CCC3)C2CCCC2)c1,YAJKWVMGPVRZTD-UHFFFAOYSA-N
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-rxn:4:212927:224406,N#Cc1nc(COc2ccc(-c3ccc(F)c(S(=O)(=O)N4CCOCC4)c3)cc2)oc1N1CCOCC1,REBBQMONHMLRKH-UHFFFAOYSA-N
-rxn:4:212936:224683,CC(=O)OCCN1CCN(c2ccc(-c3cc(F)cc(C(=O)N4CCCCC4)c3)cn2)CC1,UGLWSTMOTBCFKL-UHFFFAOYSA-N
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-rxn:4:213011:225313,CC(C)C(=O)N1CCCC(COc2ncc(-c3ccc(N4CCN(C)CC4)nc3F)cn2)C1,VMUGCDSWJXOLSZ-UHFFFAOYSA-N
-rxn:4:213076:223648,CC(C)N(C(C)C)S(=O)(=O)c1ccc(-n2cc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)cc3)cn2)cc1,AEIRFRQOKWJOBY-UHFFFAOYSA-N
-rxn:4:213080:223646,CC(C)(C)OC(=O)N1CCN(C(=O)c2cncc(-c3ccc(OC4CCN(C(=O)OC(C)(C)C)C4)cc3)c2)CC1,IZHJIEHSXUGWEM-UHFFFAOYSA-N
-rxn:4:213097:225105,CCN(CC)C(=O)c1ccc(-c2ccc(C3(C#N)CCN(C(=O)OC(C)(C)C)CC3)nc2)cc1F,VWNBNFOJNKJFHK-UHFFFAOYSA-N
-rxn:4:213123:224998,O=C(Cc1ccccc1-c1cccc(C(=O)N2CCCCC2)c1)N1CCN(c2ccnc(C(F)(F)F)c2)C(=O)C1,FICMFUZTYROYNC-UHFFFAOYSA-N
-rxn:4:213150:225436,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(-c3ccc(CN4CCCCC4)cc3)cn2)CC1,UMDPHMUFZAADAM-UHFFFAOYSA-N
-rxn:4:213153:225327,CCCOc1ncc(C(F)(F)F)cc1-c1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)cc1[N+](=O)[O-],MGKJBUBUFGHUMY-UHFFFAOYSA-N
-rxn:4:213220:222943,CC1CN(c2ccc(-c3ccc(F)c(S(=O)(=O)NC4CC4)c3)cc2[N+](=O)[O-])CCN1C(=O)OC(C)(C)C,GIQKEUNDZFOUJK-UHFFFAOYSA-N
-rxn:4:213225:222912,CC(C)CNS(=O)(=O)c1ccc(-c2ccc(-c3cnc([C@@H]4CCCN4C(=O)OC(C)(C)C)[nH]3)cc2)cc1,ADDWDYCHNNQTQZ-VWLOTQADSA-N
-rxn:4:213249:222820,CN(C)c1cccc(C(=O)N2CCC(Oc3ncccc3-c3ccc(S(=O)(=O)NC(C)(C)C)c(F)c3)CC2)c1,AINMKQVELOLLFU-UHFFFAOYSA-N
-rxn:4:213253:226199,CC(C)n1ncc2cc(-c3cnccc3OC3CCN(C(=O)C4CCN(S(C)(=O)=O)CC4)C3)ccc21,HDPWMAHUDMGMGJ-UHFFFAOYSA-N
-rxn:4:213266:224351,CC(C)N1CCN(c2cc(C(=O)OC(C)(C)C)cc(-c3ccc(C4CCCCO4)c(C(F)(F)F)c3)n2)CC1,KSAKQUOUDSLIQN-UHFFFAOYSA-N
-rxn:4:213268:223061,C[C@H]1C[C@@H](c2nc(-c3ccc(-c4cc(C5CCNCC5)ncc4F)cc3)c[nH]2)N(C(=O)OC(C)(C)C)C1,ULKHVZSFHGAXCA-QYBDOPJKSA-N
-rxn:4:213268:223064,C[C@H]1C[C@@H](c2nc(-c3ccc(-c4ccc(C5CCNCC5)nc4F)cc3)c[nH]2)N(C(=O)OC(C)(C)C)C1,CNLGLTYKDJZUAS-BVZFJXPGSA-N
-rxn:4:213273:223839,COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cnccc1OC1CCN(C(=O)c2ccc(N3CCOCC3)cc2)C1,XMUWNEOJFJHACC-UHFFFAOYSA-N
-rxn:4:213311:223814,C[Si](C)(C)CCOCn1nc(-c2ccc(CN3CCC4(CC3)OCCO4)cc2F)c2cccnc21,IZUXZKNOMFNGTE-UHFFFAOYSA-N
-rxn:4:213316:223788,CCOC(=O)c1cnn2c(C(F)(F)F)cc(-c3ccc(-c4ccc(OC5CN(C(=O)OC(C)(C)C)C5)cc4)cc3)nc12,SGROUPREFRSRJC-UHFFFAOYSA-N
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-rxn:4:213330:222584,COc1ccc(CCC(=O)N2CCc3ncncc3C2)cc1-c1ccc(OCCCN2CCNCC2)c(F)c1,WPZBAPHVOKHWKJ-UHFFFAOYSA-N
-rxn:4:213334:224760,O=C(c1ccc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)o1)N1CCN(c2nc3ccc(OC(F)(F)F)cc3s2)CC1,UGJKOSKBKLXLGT-UHFFFAOYSA-N
-rxn:4:213339:224742,COc1cc(OC)c(C2OCCO2)cc1-c1ccc2c(C(=O)N3CC(S(=O)(=O)Cc4ccco4)C3)n(C)nc2c1,WMPJJQUMJHTDOM-UHFFFAOYSA-N
-rxn:4:213387:223773,COc1cccc2cc(-c3ccc4c(c3)ncn4CC3CCN(C(=O)OC(C)(C)C)CC3)n(C(=O)OC(C)(C)C)c12,XTUOXZPDCMTNSQ-UHFFFAOYSA-N
-rxn:4:213387:224712,CC(=O)OC(OC(C)=O)c1ccc(-c2ccc3c(c2)ncn3CC2CCN(C(=O)OC(C)(C)C)CC2)cc1,DWPUEEHBBZVRAU-UHFFFAOYSA-N
-rxn:4:213393:224552,COc1cc(OC)cc(C(=O)N2CCN(c3nc4ccc(-c5cc(F)cc(COC6CCCCC6)c5)cc4s3)CC2)c1,CKFJRDDNAHDFME-UHFFFAOYSA-N
-rxn:4:213399:222598,COc1ccccc1N1CCN(C(=O)Cn2ccc3ccc(-c4cc(C)c(S(=O)(=O)NC5CCCC5)c(C)c4)cc32)CC1,GIQYMPJOHREROO-UHFFFAOYSA-N
-rxn:4:213412:227485,CC(C)CS(=O)(=O)C1CCN(C(=O)c2c3ccc(-c4ccccc4OCC(F)F)cc3nn2C)CC1,XAXUBTSSUGQABR-UHFFFAOYSA-N
-rxn:4:213413:224053,Cc1cc(-c2ccc3[nH]c(C(=O)N4CCN(C(=O)OC(C)(C)C)C(C)C4)cc3c2)cc(C)c1OCc1ccccc1,RQXCSQPVNUKNCD-UHFFFAOYSA-N
-rxn:4:213414:227791,CC1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1cc2cc(-c3cnc(Cl)c(C(F)(F)F)c3)ccc2[nH]1,JOUYZIRKGOAJJV-UHFFFAOYSA-N
-rxn:4:213604:222615,CCS(=O)(=O)N1CCC(Oc2ncc(-c3cc(CC(C)C)cc(C4CCNCC4)c3)cn2)C1,HIBKDVOXVCLAQP-UHFFFAOYSA-N
-rxn:4:213664:223812,CCC(=O)N1CCC(Oc2ncc(-c3cc(F)cc(CN4CCC5(CC4)OCCO5)c3)cn2)CC1,VBTXFFPDDDZIFW-UHFFFAOYSA-N
-rxn:4:213756:225984,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3cnc(Cl)c(N4CCOCC4)c3)s2)CC1,UNSVFZYGXWTAHO-UHFFFAOYSA-N
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-rxn:4:213803:224400,CC(C)(C)OC(=O)N1CCOCC1c1ncc(-c2ccc(N3CCOCC3)c(C(F)(F)F)c2)cn1,UGJLPVVZKXZDEC-UHFFFAOYSA-N
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-rxn:4:213813:222546,Cc1ccccc1C(=O)N1CCC(Oc2ncc(-c3ccc(OCCNC4CCCCC4)c(F)c3)cn2)C1,YKDWHVPEAYGXJW-UHFFFAOYSA-N
-rxn:4:213875:223935,CC(C)(C)OC(=O)N1CCN(c2cccc(-c3cc4cccc(F)c4n3C(=O)OC(C)(C)C)n2)CC1,URZBTVACLRAVDC-UHFFFAOYSA-N
-rxn:4:213880:224128,CN(C(=O)c1ccc(-c2ccncc2N2CCN(C(=O)OC(C)(C)C)CC2)cc1)C1CCCCC1,YVMUFKZDPBQFEQ-UHFFFAOYSA-N
-rxn:4:213898:225984,CC(C)(C)C(=O)N1CCC(Oc2ncc(-c3cnc(Cl)c(N4CCOCC4)c3)cn2)CC1,GESHWXAOLUDYQU-UHFFFAOYSA-N
-rxn:4:213902:225975,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3ccnc(N4CCOCC4)c3Cl)cc2F)CC1,RLKLRFRKMLFTMB-UHFFFAOYSA-N
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-rxn:4:213938:222890,COc1cc(-c2ccc(S(=O)(=O)N3CCN(c4ccc(C(F)(F)F)cn4)CC3)cc2)cc(C2CCCNC2)n1,TUJXWGNYDBPOEU-UHFFFAOYSA-N
-rxn:4:213942:225877,Cc1nn(C2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccc(Cl)cc1N1CCOCC1,BQCRASLJIYQVIU-UHFFFAOYSA-N
-rxn:4:213945:223078,CCNS(=O)(=O)c1ccc(-c2cn(C3CCN(C(=O)OC(C)(C)C)CC3C)cn2)c(C)c1,WQUPEOJLWVPMRP-UHFFFAOYSA-N
-rxn:4:213982:226755,COC(=O)c1cc(-c2cc(C3CCN(C(=O)OC(C)(C)C)CC3C)ncn2)c(Cl)cc1F,PDEPRWWUWWDRGE-UHFFFAOYSA-N
-rxn:4:214033:225654,CC1CCCN(c2ccc(-c3cc(C4=N[C@@H](C(C)C)CO4)nc(C4=N[C@@H](C(C)C)CO4)c3)cn2)C1,JNAAMPSZHAUJCG-UCAJRPBESA-N
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-rxn:4:214153:224613,CN(C(=O)OC(C)(C)C)c1cccc(-c2cnn3c2OC[C@H](N(C)C(=O)OC(C)(C)C)C3)c1,KSZKTBVBANENKG-GOSISDBHSA-N
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-rxn:4:214336:226276,COc1ccc(-c2ccc(CN3CCC(N(C)C4=NS(=O)(=O)c5ccccc54)CC3)cc2)cc1CN(C)C,LQDUUOMHSMXFLQ-UHFFFAOYSA-N
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-rxn:4:218587:225674,N#Cc1ccc(S(=O)(=O)N2CCC(COc3ncc(-c4cnc(C5CCCCC5)cc4F)cn3)CC2)cc1,SLICMPWHWWDNCJ-UHFFFAOYSA-N
-rxn:4:218587:225801,N#Cc1ccc(S(=O)(=O)N2CCC(COc3ncc(-c4ccnc(OC5CCCC5)c4Cl)cn3)CC2)cc1,RANSHNKORJYORL-UHFFFAOYSA-N
-rxn:4:218588:225852,N#Cc1ccccc1S(=O)(=O)N1CCC(COc2ncc(-c3cnc(C4CCCCC4)nc3Cl)cn2)CC1,YGOJQWWPYDKELZ-UHFFFAOYSA-N
-rxn:4:218589:222466,N#Cc1ccc(S(=O)(=O)N2CCCC(COc3ncc(-c4cc(C5CCCCC5)nc(C5CCNCC5)c4)cn3)C2)cc1,DGKGVTCTBHYRHK-UHFFFAOYSA-N
-rxn:4:218590:223844,N#Cc1ccccc1S(=O)(=O)N1CCCC(COc2ncc(-c3ccc(S(=O)(=O)N4CCCC4)cc3C(F)(F)F)cn2)C1,DUGVBLMVCWZIRE-UHFFFAOYSA-N
-rxn:4:218603:225550,CCCCC(=O)c1ccc(-c2cnc(OCC3CCCN(C(=O)CN4C(=O)CCC4=O)C3)nc2)cc1F,OFJNHTWIVZWKBG-UHFFFAOYSA-N
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-rxn:4:218754:227991,CC(C)(C)OC(=O)N1CCC(n2c(=O)c3scc(-c4ccc(Cl)cc4C4CC4)c3n(CC#N)c2=O)CC1,MTWLATSXKXZUPM-UHFFFAOYSA-N
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-rxn:4:218772:226417,O=C(CN1CCN(C(=O)Cn2ccc3cc(-c4cc(Cl)cc(N5CCCC5)c4)ccc32)CC1)N1CCOCC1,IQPXZTZAGRPKSJ-UHFFFAOYSA-N
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-rxn:4:218831:223812,O=C(c1cscn1)N1CCC(COc2ncc(-c3cc(F)cc(CN4CCC5(CC4)OCCO5)c3)cn2)CC1,IKQQPUVVIIXTEX-UHFFFAOYSA-N
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-rxn:4:218964:226490,COCCOc1ccc(F)c(-c2cnn(CC3CN(C(=O)C4CCN(C(C)=O)CC4)C3)c2)c1,LXGBMWPBFPTIPN-UHFFFAOYSA-N
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-rxn:4:218972:224672,CCN1CCN(c2ccc(-c3cnc(OCC4CCCN(C(=O)c5sc(C)nc5C)C4)nc3)c(Cl)c2)CC1,QYDALDFTQDYRAT-UHFFFAOYSA-N
-rxn:4:218991:224371,COC(=O)C1CCN(c2ncc(-c3cn(C)nc3CN3CCN(C(=O)OC(C)(C)C)CC3)cn2)CC1,UZLWMDNYMSOZLX-UHFFFAOYSA-N
-rxn:4:218998:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cnc(OCC4CCCN(C(=O)N5CCOCC5)C4)nc3)c2Cl)CC1,CDGAWMSKUVENLY-UHFFFAOYSA-N
-rxn:4:218999:226310,CC(C)COc1cc(-c2cnc(N3CCN(C(=O)OC(C)(C)C)C[C@@H]3C)c(C#N)c2)ccc1F,JQGZRKYHFGXPFH-SFHVURJKSA-N
-rxn:4:219013:223501,CC1CN(c2c(-c3ccc(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c(Cl)c3)cncc2[N+](=O)[O-])CCN1C(=O)OC(C)(C)C,FLBQFFGAPNIRCR-UHFFFAOYSA-N
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-rxn:4:219048:222405,O=C1NC(=O)C(c2cccc(-c3ccc(S(=O)(=O)N4CCC(N(c5ccncn5)C5CC5)CC4)cc3)c2)N1,GDQCEPWRSAYXCO-UHFFFAOYSA-N
-rxn:4:219051:224375,CN(c1cnc(-c2ccc(C(=O)ON3C(=O)CCC3=O)cc2)cn1)C1CCCN(C(=O)OC(C)(C)C)CC1,OINDYHRUXGOAJU-UHFFFAOYSA-N
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-rxn:4:219130:224194,CCN1CCN(Cc2ccc(-c3ccc(C(=O)N4CCN(Cc5nc6cc(OC)ccc6[nH]5)CC4)o3)cc2Cl)CC1,CIXXULBEBBXWHF-UHFFFAOYSA-N
-rxn:4:219134:225524,CCCCCOc1cc(Cl)ccc1-c1ccccc1CC(=O)N1CC2CN(c3ccc(C#N)cn3)CC2C1,BVLVNHVIMJWNTI-UHFFFAOYSA-N
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-rxn:4:219155:224594,CC(=O)N1CCCCC1c1ccccc1-c1cncc(C(=O)N2CC3CCCC3(COc3ncc(C)cn3)C2)c1,XBEGUQLSTPRWTR-UHFFFAOYSA-N
-rxn:4:219187:224865,O=C1c2ccccc2C(=O)N1CCN1CCN(c2nc(-c3ccc(-c4ccc(CCN5CCCCC5)cc4)cc3)cs2)CC1,KRNYUQIXSXVUHQ-UHFFFAOYSA-N
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-rxn:4:219410:228140,CC(c1ccc(-c2cnc(OC3CCN(S(=O)(=O)N4CCOCC4)C3)nc2)s1)N(C)C,LWMAQHDWODKHJB-UHFFFAOYSA-N
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-rxn:4:219456:223121,CC1CN(C(=O)OC(C)(C)C)CCC1n1ncc(-c2ccc(C(=O)NC3CC3)cc2)n1,BGJLQBFABYZMOP-UHFFFAOYSA-N
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-rxn:4:219507:223020,Cn1c(C(F)(F)F)nn(C2CCN(C(=O)c3ccccc3-c3ccc(C(=O)NCCC#N)cc3)CC2)c1=O,WRPJJEXOCAZZDG-UHFFFAOYSA-N
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-rxn:4:219654:225382,CC(C)(C)OC(=O)N1CCN(c2ncnc3sc(-c4cc(C(F)(F)F)ccc4C(F)(F)F)cc23)CC1,CACVZXHFRHRQPX-UHFFFAOYSA-N
-rxn:4:219678:225641,CC1CCCN(c2cc(-c3ccccc3S(=O)(=O)N3CC4CN(c5ccc(C#N)cn5)CC4C3)ccn2)C1,MHJJJWZZMLHHLD-UHFFFAOYSA-N
-rxn:4:219691:223166,CC(C)(C)OC(=O)N1CCCC(c2cc(Cl)n3ncc(-c4ccc(N5CCNCC5)nc4)c3n2)C1,YGMPZQRCUYUBCJ-UHFFFAOYSA-N
-rxn:4:219758:222864,CC(C)NCCOc1ccc(-c2ccccc2CC(=O)N2CCN(c3cc4c(nn3)CCCC4)CC2)cc1F,RJYNOXGTJMCDRH-UHFFFAOYSA-N
-rxn:4:219764:224402,CCN(CC)S(=O)(=O)c1cc(F)c(F)cc1-c1c(Cl)cc2c(N3CC4CCC(C3)N4C(=O)OC(C)(C)C)nc(F)nc2c1F,SPIYSQKBMAMHPB-UHFFFAOYSA-N
-rxn:4:219766:223805,O=C(c1cncc(-c2ccccc2OCc2ccc(C(F)(F)F)cc2)c1)N1CCC(Cn2nc3c(cc2=O)CCCC3)CC1,ZFTXRSLJBLCNSL-UHFFFAOYSA-N
-rxn:4:219874:222514,COc1ccc(-c2ccccc2S(=O)(=O)N2CCC(n3ccnn3)C2)cc1S(=O)(=O)NC1CCCCC1,WBVGSCXNSWPFAS-UHFFFAOYSA-N
-rxn:4:219950:225382,CSc1ncc(-c2cc(C(F)(F)F)ccc2C(F)(F)F)c(N2CCN(C3CCC3)CC2)n1,OJLIEGGLDFBTFN-UHFFFAOYSA-N
-rxn:4:219955:225356,CCOc1ccc(C(F)(F)F)c(F)c1-c1cnc(N2CCOC(C(=O)N3CCSCC3)C2)nc1,VQCGUYDBJAVPRN-UHFFFAOYSA-N
-rxn:4:219975:223491,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cnc(N4CCOC(C(=O)N5CCCCC5)C4)nc3)cc(C(F)(F)F)c2)CC1,OGTOAOUNWFBFHC-UHFFFAOYSA-N
-rxn:4:219988:222634,O=C(C1CCCN(c2ncc(-c3ccc(OCCNC4CCCC4)c(F)c3)cn2)C1)N1CCOCC1,GMNTUXADJXCRTL-UHFFFAOYSA-N
-rxn:4:219988:223532,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)cc(-c3cnc(N4CCCC(C(=O)N5CCOCC5)C4)nc3)c2)CC1,LNSYRBWPYZNZOD-UHFFFAOYSA-N
-rxn:4:220028:223867,COC(=O)Cn1c(-c2cccc(OCCCN3CCC(C)CC3)c2)nc2c1c(=O)n(C)c(=O)n2C,ZJWZVTSTUOLKKI-UHFFFAOYSA-N
-rxn:4:220136:224391,Cc1cc(S(=O)(=O)N2CCOCC2)ccc1-c1ccc2ncnc(N3CCN(S(=O)(=O)C4CC4)CC3)c2c1,FMBLBZXUQDMBHO-UHFFFAOYSA-N
-rxn:4:220149:223828,CCN1CCN(c2cc(-c3ccc4c(N5CC(C(=O)N6CCOCC6)CC5=O)[nH]nc4c3)cc(C(F)(F)F)c2)CC1,UGPFCXDPBNOOJO-UHFFFAOYSA-N
-rxn:4:220159:223830,CCN1CCN(S(=O)(=O)c2cc(-c3ccc4nc(N5CCC(c6nnc(C7CC7)o6)CC5)sc4c3)ccc2C)CC1,HZHJXYJUPYGEDE-UHFFFAOYSA-N
-rxn:4:220169:222619,Cn1c(=O)c2c(nc(-c3ccc(CNC(=O)C4CCCCC4)cc3)n2CC(=O)c2ccc3c(c2)OCCO3)n(C)c1=O,BPXCXCHQVKJHKN-UHFFFAOYSA-N
-rxn:4:220495:222543,CC(=O)C(C)n1c(-c2ccc(C3(NC(=O)OC(C)(C)C)CC3)cc2)nc2c1c(=O)n(C)c(=O)n2C,JEGHKAHIHSYGQX-UHFFFAOYSA-N
-rxn:4:220532:225270,CCCOc1ccc(-c2ccc(N3N=NC4C(=O)N(c5ccc(F)cc5)C(=O)C43)cc2C)cc1C(F)(F)F,JNCUVZOQQQLNGV-UHFFFAOYSA-N
-rxn:4:220536:222461,CC(C)(C)OC(=O)Nc1nc2c(-c3ccc4ncnc(N5CCN(C6CCC6)CC5)c4c3)c(F)cc(F)c2s1,JVHWORRNVJOXRW-UHFFFAOYSA-N
-rxn:4:220935:223594,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)cc(-c3cnc4ccc(N5CCOCC5)nn34)c2)CC1,JHCKUSLIUNNQEP-UHFFFAOYSA-N
-rxn:4:221099:223953,COCCN1CCN(c2cc(F)cc(-c3cnc(OCC4CCCN(C(=O)c5cn(C)nc5C(F)F)C4)nc3)c2)CC1,OHCDDFXPJFJJMU-UHFFFAOYSA-N
-rxn:4:221106:225744,COc1nccnc1N(C)CC1CCN(C(=O)c2cncc(-c3cncc(C(=O)OC(C)(C)C)c3)c2)CC1,QAULWZBWLLZACG-UHFFFAOYSA-N
-rxn:4:221121:222697,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(Cl)c(C(=O)N6CCC(O)CC6)c5)ccc43)CC2)CC1,UQISWSDGHYZHHQ-UHFFFAOYSA-N
-rxn:4:221121:224576,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cnn(-c6ccc(C(C)(C)C)cc6)c5)ccc43)CC2)CC1,IXDNNAMBFSATIM-UHFFFAOYSA-N
-rxn:4:221148:223689,CCN1CCN(S(=O)(=O)c2cc(-c3cnc(OCC4CCCN(c5ncccc5C#N)C4)nc3)ccc2OC)CC1,NNZNHXYVHUOXKH-UHFFFAOYSA-N
-rxn:4:221153:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cnc(N4CCCC(COc5cc(C#N)ccn5)C4)nc3)c2Cl)CC1,BFWJJHKYPXXPLQ-UHFFFAOYSA-N
-rxn:4:221160:223834,Cc1nc(CN2CCCC(COc3ncc(-c4cc(C)c(S(=O)(=O)N5CCN(C)CC5)c(C)c4)cn3)C2)no1,MFYKNKRQOLYPGX-UHFFFAOYSA-N
-rxn:4:221172:223894,CN1CCN(CCCOc2cccc(-c3cnc(OCC4CCN(C(=O)c5ccc(=O)n(C)n5)CC4)nc3)c2)CC1,UPNMLCBUXZYKIT-UHFFFAOYSA-N
-rxn:4:221173:222634,Cn1nc(C(=O)N2CCCC(COc3ncc(-c4ccc(OCCNC5CCCC5)c(F)c4)cn3)C2)ccc1=O,VLMQWPUWHSIAMJ-UHFFFAOYSA-N
-rxn:4:221173:223650,Cn1nc(C(=O)N2CCCC(COc3ncc(-c4ccccc4N4CCN(C(=O)OC(C)(C)C)CC4)cn3)C2)ccc1=O,RDXLBAKGIIRCCB-UHFFFAOYSA-N
-rxn:4:221177:224731,CC(C)(C)COS(=O)(=O)c1cccc(-c2cnc(N3CCC(COc4cc(C5CC5)ncn4)CC3)nc2)c1,LLKDCZJPPDQMIO-UHFFFAOYSA-N
-rxn:4:221177:224796,CC(C)(C)COS(=O)(=O)c1cncc(-c2cnc(N3CCC(COc4cc(C5CC5)ncn4)CC3)nc2)c1,BQFKWHKULSHKSX-UHFFFAOYSA-N
-rxn:4:221178:224796,CC(C)(C)COS(=O)(=O)c1cncc(-c2cnc(N3CCC(COc4ccc(C5CC5)nn4)CC3)nc2)c1,MEQDJXOZZFCGRI-UHFFFAOYSA-N
-rxn:4:221179:223521,CC(c1cccc(-c2cnc(OCC3CCCN(c4ccnc(C5CC5)n4)C3)nc2)c1)N1CCN(C(=O)OC(C)(C)C)CC1,OCEVFZXHKPXXQH-UHFFFAOYSA-N
-rxn:4:221179:224182,Cc1cc(-c2cnc(OCC3CCCN(c4ccnc(C5CC5)n4)C3)nc2)ccc1OCCN1CCOCC1,KVLPTGBPWOBYMY-UHFFFAOYSA-N
-rxn:4:221179:224663,CN1CCN(Cc2ccc(-c3cnc(OCC4CCCN(c5ccnc(C6CC6)n5)C4)nc3)cc2F)CC1,RERBTNZUUCLKIA-UHFFFAOYSA-N
-rxn:4:221180:224650,Cc1cc(C(=O)N2CCC(COc3ncc(-c4cc(F)ccc4OCC4CCOCC4)cn3)CC2)nn1C,ALYNUZQABPSANL-UHFFFAOYSA-N
-rxn:4:221194:223054,CC(C)c1nc(S(=O)(=O)N2CCC(Oc3ncc(-c4ccc(C(C)N5CCC(O)C5)s4)cn3)CC2)cn1C,FEHLKVDCFQLQKF-UHFFFAOYSA-N
-rxn:4:221194:223138,CC(C)c1nc(S(=O)(=O)N2CCC(Oc3ncc(-c4ccnc(C5CCNCC5)c4)cn3)CC2)cn1C,AFBVYNCHUVVUJY-UHFFFAOYSA-N
-rxn:4:221196:223945,Cc1c(C(=O)N2CCCC(Oc3ncc(-c4ccc(OCCCN5CCOCC5)c(F)c4)cn3)C2)cnn1-c1ccccc1,SOLKWPONRYFKJU-UHFFFAOYSA-N
-rxn:4:221221:224378,O=C(c1cncc(-c2cnc(N3CCCCC3)c(C(F)(F)F)c2)c1)N1CCC(COc2ccc3nccn3n2)CC1,RTJBCSDHHMLMDX-UHFFFAOYSA-N
-rxn:4:221247:224767,Cn1c(=O)c2c(SCC(=O)N3CCOCC3)nc(-c3ccc(-c4cccc(C(=O)N5CCOCC5)c4F)cc3)nc2n(C)c1=O,FHRNAJNOZXFGCT-UHFFFAOYSA-N
-rxn:4:221249:222930,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc4c(-c5cnc(Cl)c(N6CCCC(O)C6)c5)cnn4c3)cc2)CC1,VHFMTTFFHBPFLL-UHFFFAOYSA-N
-rxn:4:221249:225685,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc4c(-c5cnc(Cl)c(C6CCCCC6)c5)cnn4c3)cc2)CC1,UFRIYMGOOZZTHL-UHFFFAOYSA-N
-rxn:4:221249:225884,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc4c(-c5ccc(C6COCCO6)c(F)c5)cnn4c3)cc2)CC1,UEKKKXFYHSDPPC-UHFFFAOYSA-N
-rxn:4:221317:223481,CC(C)c1nnc(N2CC(Cn3cc(-c4ccc(S(=O)(=O)N5CCC(O[Si](C)(C)C(C)(C)C)CC5)cc4F)cn3)C2)s1,MJLZETMKVVBODP-UHFFFAOYSA-N
-rxn:4:221394:224376,CN1CCN(S(=O)(=O)c2cccc(-c3cnc(N4CCC(Cn5nc(C6CC6)ccc5=O)CC4)nc3)c2)CC1,JNWZKEKJPQIHHW-UHFFFAOYSA-N
-rxn:4:221394:224796,CC(C)(C)COS(=O)(=O)c1cncc(-c2cnc(N3CCC(Cn4nc(C5CC5)ccc4=O)CC3)nc2)c1,KDVLTRIZLHAXRI-UHFFFAOYSA-N
-rxn:4:221401:224323,Cc1cc(-c2cccc(CN3CCN(c4nccc(N(C)C)n4)CC3)c2)cc(C)c1S(=O)(=O)N1CCCC1,VDLAFQOTJJPUDN-UHFFFAOYSA-N
-rxn:4:221420:222899,CCCCNS(=O)(=O)c1ccc(-c2ccccc2C(=O)N2CCN(c3ccc(N4CCOCC4)nn3)CC2)cc1,FYMVNOBMHMEFGU-UHFFFAOYSA-N
-rxn:4:221447:223140,Cc1cc(N2CCN(Cc3ccc(-c4ccnc(C5CCCNC5)c4)cc3)CC2)nc(N2CCOCC2)n1,PHBPGKXHSIBLIP-UHFFFAOYSA-N
-rxn:4:221449:222826,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccc(S(=O)(=O)N5CCNCC5)c4)cc3)CC2)n1,ZBSQKMKZENKQRR-UHFFFAOYSA-N
-rxn:4:221463:223536,CC(C)(C)OC(=O)N1CCN(c2cc(-c3ccc4nc(SCc5nc6cc([N+](=O)[O-])ccc6[nH]5)[nH]c4c3)cc(F)c2F)CC1,OIVLRXONLJVYNX-UHFFFAOYSA-N
-rxn:4:221521:223595,Cc1nc2c(c(N3CCCC(COc4ncc(-c5ccc(N6CCN(C(=O)OC(C)(C)C)CC6)c(F)c5)cn4)C3)n1)CCC2,OYTWYYQAACKTNM-UHFFFAOYSA-N
-rxn:4:221528:222634,CC(C)c1sc(-c2ccc(OCCNC3CCCC3)c(F)c2)nc1C(=O)N1CCN(c2nc3ccccc3n2C)CC1,WUTZEUODMHAXTR-UHFFFAOYSA-N
-rxn:4:221528:223952,CC(C)c1sc(-c2ccc(OCCN3CCN(C)CC3)c(Cl)c2)nc1C(=O)N1CCN(c2nc3ccccc3n2C)CC1,PHPWBJAZNFGLFM-UHFFFAOYSA-N
-rxn:4:221528:224662,CC(C)c1sc(-c2cc(F)ccc2CN2CCN(C)CC2)nc1C(=O)N1CCN(c2nc3ccccc3n2C)CC1,GUNFIYTZTLABDE-UHFFFAOYSA-N
-rxn:4:221535:225122,Cn1c(=O)c2c(nc(CN3CCOCC3)n2Cc2ccc(-c3cncc(O[Si](C)(C)C(C)(C)C)c3)cc2)n(C)c1=O,VXLHRESCGLCCGK-UHFFFAOYSA-N
-rxn:4:221538:225544,COc1ccc(-c2ccc(Cn3c(CN4CCCCC4C)nc4c3c(=O)n(C)c(=O)n4C)cc2)cc1OCC(C)C,UUMFQMRPZUNMTP-UHFFFAOYSA-N
-rxn:4:221641:223593,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(N4CCC(n5nc(C6CC6)ccc5=O)CC4)nc3)cc2Cl)CC1,ZFCBHZGSTYYYSR-UHFFFAOYSA-N
-rxn:4:221667:223593,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnn(CC4CN(c5ncnc6c5CCC6)C4)c3)cc2Cl)CC1,NFLWRPQKUJLKHP-UHFFFAOYSA-N
-rxn:4:221693:223694,CCN1CCN(S(=O)(=O)c2cc(-c3cnc(N4CC(n5c(C6CC6)nc6ccccc65)C4)nc3)c(F)cc2C)CC1,GFNOKMHTHNAXEG-UHFFFAOYSA-N
-rxn:4:221771:222514,COc1ccc(-c2ccc(Cn3c(=O)c4c(nc5n4CC(C)CN5c4ccccc4)n(C)c3=O)cc2)cc1S(=O)(=O)NC1CCCCC1,LFGNRMRWCAGQQZ-UHFFFAOYSA-N
-rxn:4:221935:223998,CC1CCN(S(=O)(=O)c2ccc(-c3cnc(OCC4CCCN(c5nccnc5C#N)C4)nc3)cc2F)CC1,DMFZKFZPPPCXBN-UHFFFAOYSA-N
-rxn:4:221967:222635,CC(=O)C(C(=O)N(C)C)n1cnc2c(nnn2-c2ccc(-c3cccc([C@H](C)NC(=O)OC(C)(C)C)c3)cc2)c1=O,SWJCBSVXJMYUSN-KEJDIYNNSA-N
-rxn:4:221967:223507,CC(=O)C(C(=O)N(C)C)n1cnc2c(nnn2-c2ccc(-c3ccccc3S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cc2)c1=O,MEROEADLPXUZJV-UHFFFAOYSA-N
-rxn:4:221976:223998,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5cccc(-c6ccc(S(=O)(=O)N7CCC(C)CC7)c(F)c6)c5)no4)C3C2=O)cc1,DCGMJWZHTFFPKH-UHFFFAOYSA-N
-rxn:4:221978:224731,CC(C)(C)COS(=O)(=O)c1cccc(-c2cnc(N3CCC(COc4ccc5nc(C6CC6)cn5n4)CC3)nc2)c1,DLONHNUOFSKVIN-UHFFFAOYSA-N
-rxn:4:221978:224732,CC(C)(C)COS(=O)(=O)c1ccc(-c2cnc(N3CCC(COc4ccc5nc(C6CC6)cn5n4)CC3)nc2)cc1,HAWOFEXUSJYSDV-UHFFFAOYSA-N
-rxn:4:221980:225869,CC(C)(C)OC(=O)N1CCN(c2cc(=O)n3nc(-c4cncc(-c5ccc(N6CCOCC6)c(Cl)c5)c4)sc3n2)CC1,UVJBJFCPBWNWRX-UHFFFAOYSA-N
-rxn:4:221985:222928,Cc1nc(N2CCC(O)CC2)ncc1-c1cc2c(cn1)nc(-c1cnn(C)c1)n2[C@@H]1CCCN(C(=O)OC(C)(C)C)C1,WFFUQCXVPUPYCI-OAQYLSRUSA-N
-rxn:4:222029:225145,CN(C)c1ccnc(N2CCN(c3ncc(C(F)(F)F)cc3-c3ccc(N4CCOCC4)c(C#N)c3)CC2)n1,FCHCZLUEAHEMOW-UHFFFAOYSA-N
-rxn:4:222031:223840,COc1ccc(-c2cc(C(F)(F)F)cnc2N2CCN(c3ccnc(N(C)C)n3)CC2)cc1S(=O)(=O)N1CCN(C)CC1,GQWWXMPOERLKGL-UHFFFAOYSA-N
-rxn:4:222053:224570,CCc1cc(N2CCN(c3ncc(-c4ccc(C(C)N5CCN(C)CC5)cc4)cn3)CC2)nc(C(C)(C)C)n1,FSYOMEBGWCUZMW-UHFFFAOYSA-N
-rxn:4:222056:222695,Cc1ccc(-c2cnc(N3CCN(c4cc(C(C)(C)C)nc(C5CC5)n4)CC3)nc2)cc1S(=O)(=O)NC1CCCC1,JDJWVVFLGHGWBJ-UHFFFAOYSA-N
-rxn:4:222058:222719,Cc1nn(-c2ccc(N3CCN(C(=O)c4cccc(-c5cc(C6CCCNC6)nc(C(F)(F)F)c5)c4)CC3)nn2)c(C)c1C,KPSFHXBHKVSSLS-UHFFFAOYSA-N
-rxn:4:222059:223500,Cc1nn(-c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(F)c(C(=O)N6CCN(C(=O)OC(C)(C)C)CC6)c5)cc4)CC3)nn2)c(C)c1C,PDYKIMXQOILULO-UHFFFAOYSA-N
-rxn:4:222102:222912,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(S(=O)(=O)NCC(C)C)cc6)cc5)no4)C3C2=O)cc1,PEYHNADGRLYREB-UHFFFAOYSA-N
-rxn:4:222108:223029,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(NC(=O)OC(C)C)cc6)cc5)no4)C3C2=O)cc1F,TVPSIAUOMHPBEQ-UHFFFAOYSA-N
-rxn:4:222138:223599,Cn1c(=O)n(CCN2CCOCC2)c(=O)c2c1nc1n2CCCN1c1ccc(-c2cc3cc(C(F)(F)F)ccc3n2C(=O)OC(C)(C)C)cc1,GPNSHBRNWJDSMW-UHFFFAOYSA-N
-rxn:4:222193:225306,COc1cc(F)c([Si](C)(C)C)c(F)c1-c1ccc2c(C(=O)N3Cc4cnc(N5CCOCC5)nc4C3)n(C)nc2c1,FHTHFLVCIGHXPR-UHFFFAOYSA-N
-rxn:4:222210:223481,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CC(n5nccn5)C4)nc3)c(F)c2)CC1,ZGLLRPJGBMFCGX-UHFFFAOYSA-N
-rxn:4:222329:224125,c1cc(N2CCCC2)nc(N2CCN(c3ncc(-c4ccc(CN5CCN(C6CC6)CC5)cc4)cn3)CC2)n1,PJONPTWBENWPOQ-UHFFFAOYSA-N
-rxn:4:222334:224327,Cc1cc(N2CCCC2)nc(N2CCN(c3ncc(-c4cccc(S(=O)(=O)N5CCCC(C)C5)c4)cn3)CC2)n1,CGCUZIHOMJIQMP-UHFFFAOYSA-N
-rxn:4:222334:224975,CCN1CCN(c2ccc(-c3cnc(N4CCN(c5nc(C)cc(N6CCCC6)n5)CC4)nc3)cc2)CC1,DXESNBSGLNUWPH-UHFFFAOYSA-N
-rxn:4:222334:225257,CCOC(=O)COc1cc(F)cc(-c2cnc(N3CCN(c4nc(C)cc(N5CCCC5)n4)CC3)nc2)c1,UDDIDJHHJHCLJY-UHFFFAOYSA-N
-rxn:4:222335:224328,Cc1cc(N2CCN(c3ncc(-c4cccc(S(=O)(=O)N5CCCCC5C)c4)cn3)CC2)nc(N2CCCC2)n1,VRVLPIWWUMFWQN-UHFFFAOYSA-N
-rxn:4:222335:225294,CCN1CCN(c2ncc(-c3cnc(N4CCN(c5cc(C)nc(N6CCCC6)n5)CC4)nc3)cn2)CC1,RDXMLKIXTNNXIS-UHFFFAOYSA-N
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-rxn:5:177891:225886:227449,CS(=O)(=O)n1ccc2cc(-c3ccccc3C(=O)SC3CS(=O)(=O)CC3c3ccc(C4CCOCC4)s3)ccc21,XHEOGXBCIDNJTL-UHFFFAOYSA-N
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-rxn:5:178295:227038:228016,COC(=O)C1(c2cc(-c3cc(C4CCCC4)cs3)ccc2-c2cc(C(C)C)ccc2OC)CCC(=O)CC1,ZXDKKALCZKBIME-UHFFFAOYSA-N
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-rxn:5:178295:227052:226084,COC(=O)C1(c2cc(-c3ccc4c(c3)C(=O)CCCC4)ccc2-c2ccc(SC(C)(C)C)cc2)CCC(=O)CC1,LGSPYCIQXYFFHY-UHFFFAOYSA-N
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-rxn:5:178295:227069:226146,COC(=O)C1(c2cc(-c3ccc(SC4CCCC4)cc3)ccc2-c2ccc(OC)cc2C(C)C)CCC(=O)CC1,ZQAHRPZAMISFSK-UHFFFAOYSA-N
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-rxn:5:178295:228517:226150,CC#Cc1ccccc1-c1ccc(-c2cccc(SC3CCCC3)c2)cc1C1(C(=O)OC)CCC(=O)CC1,CMFLNQVLUIXDOQ-UHFFFAOYSA-N
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-rxn:5:178295:228629:227076,CCC(C)c1ccc(F)c(-c2ccc(-c3ccc(C4CCC4)s3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,JXMJXMIULPGTST-UHFFFAOYSA-N
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-rxn:5:178295:228991:225499,CCCc1sccc1-c1ccc(-c2ccc(C3CCCCC3)cc2F)cc1C1(C(=O)OC)CCC(=O)CC1,REHLWOJWGMSRFW-UHFFFAOYSA-N
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-rxn:5:178315:223082:227664,CNS(=O)(=O)c1c(C)cc(-c2cc(O[Si](C)(C)C(C)(C)C)cc(-c3cc(C)cc(C(F)(F)F)c3)c2)cc1C,PBXJTNMWKATTNW-UHFFFAOYSA-N
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-rxn:5:178368:223135:226794,Cc1cc(S(=O)(=O)Oc2cc(C)c(-c3cnc(N4CCSCC4)nc3)c(C)c2)c(C)cc1-c1cccnc1C1CCCNC1,KOICICMKYVCTGU-UHFFFAOYSA-N
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-rxn:5:181904:222958:225394,Cc1ccc(-c2ccc(C3OCCO3)c(C)c2-c2cc(C3CCC3)cc(C3CC3)c2)cc1C1CCNCC1,DRCPMQRLUZSIDS-UHFFFAOYSA-N
-rxn:5:181905:225472:225653,Cc1ccc(-c2ccc(N3CCCCC3C)nc2)c(C2OCCO2)c1-c1cccc(N2CCCCC2C)c1,LZMVFPPQUMTJOI-UHFFFAOYSA-N
-rxn:5:181906:225633:225656,Cc1ccc(-c2ccc(N3CCCCCC3)nc2)c(C2OCCO2)c1-c1cncc(N2CCCCC2C)c1,GFPMSQOWDDNJFD-UHFFFAOYSA-N
-rxn:5:181907:222957:225438,Cc1cc(-c2cc(C)cc(C3OCCO3)c2-c2ccc(C(C)N3CCCC3)cc2)cc(C2CCCNC2)c1,KMFVTDGTYVZCRN-UHFFFAOYSA-N
-rxn:5:181907:222958:225472,Cc1cc(-c2ccc(C)c(C3CCNCC3)c2)c(-c2cccc(N3CCCCC3C)c2)c(C2OCCO2)c1,PJMOFIYUQNNSLJ-UHFFFAOYSA-N
-rxn:5:181907:222959:225438,Cc1cc(-c2ccc(C3CCNCC3)c(C)c2)c(-c2ccc(C(C)N3CCCC3)cc2)c(C2OCCO2)c1,BZPPKSIKZMEDGO-UHFFFAOYSA-N
-rxn:5:181907:222994:225636,Cc1cc(-c2cccc(N3CCC(O)CC3)c2)c(-c2ccnc(N3CCC(C)CC3)c2)c(C2OCCO2)c1,ISNKSBURUSNCEN-UHFFFAOYSA-N
-rxn:5:181907:225394:225638,Cc1cc(-c2cc(C3CCC3)cc(C3CC3)c2)c(-c2ccc(N3CCC(C)CC3)nc2)c(C2OCCO2)c1,PDTSXIHCPOETRB-UHFFFAOYSA-N
-rxn:5:181907:225439:225684,Cc1cc(-c2cccc(C(C)N3CCCC3)c2)c(-c2ccc(C3CCOCC3)nc2C)c(C2OCCO2)c1,VXWKNGOOJDFWJV-UHFFFAOYSA-N
-rxn:5:181907:225514:226427,Cc1cc(-c2cccc3c2OCC2(CC2)CO3)c(-c2cc(N3CCC(C)CC3)cs2)c(C2OCCO2)c1,RKWPLRFHHZNVCA-UHFFFAOYSA-N
-rxn:5:181907:225636:226686,Cc1cc(-c2ccnc(N3CCC(C)CC3)c2)c(-c2c(C)cnn2C2CCCCO2)c(C2OCCO2)c1,NVTRFXHYAPUQQW-UHFFFAOYSA-N
-rxn:5:181907:225656:225683,Cc1cc(-c2cncc(N3CCCCC3C)c2)c(-c2ccc(C3CCCOC3)nc2C)c(C2OCCO2)c1,YDSDBAUITBHXBZ-UHFFFAOYSA-N
-rxn:5:181908:222981:225462,Cc1cc(-c2ccnc(NC3CCCCC3)c2)c(-c2cccc(N3CCC(C)CC3)c2)cc1C1OCCO1,ZUEVKCSSTYFHFI-UHFFFAOYSA-N
-rxn:5:181908:225514:225655,Cc1cc(-c2cccc3c2OCC2(CC2)CO3)c(-c2cncc(N3CCC(C)CC3)c2)cc1C1OCCO1,UZUDMSJXYBLEFI-UHFFFAOYSA-N
-rxn:5:182009:226427:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(-c2cc(N3CCC(C)CC3)cs2)c(C2CCOCC2)c1,FUXMICSGTAQCOA-UHFFFAOYSA-N
-rxn:5:182010:223147:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(C2CCOCC2)c(-c2ccc(C3CNCCO3)cc2)c1,GEXVRZHNEZLFLA-UHFFFAOYSA-N
-rxn:5:182010:225832:225881,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2ccc(C3CCOCC3)nc2F)ccc1C1CCOCC1,VVTNBHPVJATCND-UHFFFAOYSA-N
-rxn:5:182010:226457:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(C2CCOCC2)c(-c2ccc(C3CCOC3)c(F)c2)c1,HUTKKKKAVXOBGW-UHFFFAOYSA-N
-rxn:5:182010:226686:222985,Cc1cnn(C2CCCCO2)c1-c1cc(-c2ccc(C3CCCNC3)nc2C)ccc1C1CCOCC1,YZMSFCPRRYEULB-UHFFFAOYSA-N
-rxn:5:182011:225832:223131,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(C2CCOCC2)cc1-c1ccc(N2CCNCC2)cc1,OOLJZCROEHSDAC-UHFFFAOYSA-N
-rxn:5:182011:226649:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(C2CCOCC2)ccc1-c1cccnc1N1CCOCC1,VPXWDHNTSTZZFL-UHFFFAOYSA-N
-rxn:5:182012:225439:222960,Cc1cc(-c2ccc(-c3cccc(C(C)N4CCCC4)c3)cc2C2CCCOC2)cc(C2CCNCC2)c1,XWKXSYONGRJYNA-UHFFFAOYSA-N
-rxn:5:182012:225683:222959,Cc1cc(-c2ccc(-c3ccc(C4CCCOC4)nc3C)cc2C2CCCOC2)ccc1C1CCNCC1,AARRNYLDWZYPQA-UHFFFAOYSA-N
-rxn:5:182012:225684:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(-c2ccc(C3CCOCC3)nc2C)cc1C1CCCOC1,KOULGNCBDCWBAC-UHFFFAOYSA-N
-rxn:5:182012:226330:222957,Cc1cc(-c2ccc(-c3ccc(C(C)N4CCCC4)s3)cc2C2CCCOC2)cc(C2CCCNC2)c1,INITWKCXNIXZAR-UHFFFAOYSA-N
-rxn:5:182013:225451:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(-c2ccc(SC3CCCCC3)cc2)cc1C1CCOCC1,GEBFCSJFNVISAP-UHFFFAOYSA-N
-rxn:5:183190:225453:225453,CC1(C)Cc2c(cc(-c3cccc(SC4CCCCC4)c3)cc2-c2cccc(SC3CCCCC3)c2)C1=O,ZPYAJYLTDVTQKU-UHFFFAOYSA-N
-rxn:5:188379:222998:223054,CCOC(=O)c1cc(-c2ccc(C(C)N3CCC(O)C3)s2)ncc1-c1cc(F)cc(C2CCCNC2)c1,BJAKUHOXPZIMHH-UHFFFAOYSA-N
-rxn:5:188460:226428:226395,COC(=O)c1cc([N+](=O)[O-])c(-c2cncc(N3CCCCC3)c2)cc1-c1cc(N2CCCCC2C)cs1,UHOHZFGSRICLKB-UHFFFAOYSA-N
-rxn:5:188596:225834:226330,CCOc1c(-c2cc(N3CCCCC3)ncc2F)cc(-c2ccc(C(C)N3CCCC3)s2)cc1[N+](=O)[O-],XIHSEOQFMDMMOF-UHFFFAOYSA-N
-rxn:5:188867:222998:226662,CC(C)OC(=O)c1cc(-c2ccc(N3CCN(C)CC3)s2)ncc1-c1cc(F)cc(C2CCCNC2)c1,LAIJVIDQZCLSNH-UHFFFAOYSA-N
-rxn:5:188868:225976:226330,CC(C)OC(=O)c1ccnc(-c2ccc(C(C)N3CCCC3)s2)c1-c1ccnc(N2CCOCC2)c1F,BVGRSYQPEORVRM-UHFFFAOYSA-N
-rxn:5:188931:226382:225674,COC(=O)c1cc(-c2cnc(C3CCCCC3)nc2)cc(S(N)(=O)=O)c1-c1cnc(C2CCCCC2)cc1F,IMWKADZYZAGQEU-UHFFFAOYSA-N
-rxn:5:189001:222989:225976,COC(=O)C1(c2nc(-c3ccnc(N4CCOCC4)c3F)ccc2-c2ccc(N3CCNCC3)cc2C)CC1,KBBAFQBJGTWFKY-UHFFFAOYSA-N
-rxn:5:189001:223008:223006,COC(=O)C1(c2nc(-c3ccc(F)c(C4CCNCC4)c3)ccc2-c2cc(C3CCNCC3)ccc2F)CC1,OLFOZYYMMNBTQY-UHFFFAOYSA-N
-rxn:5:189001:223064:223006,COC(=O)C1(c2nc(-c3ccc(F)c(C4CCNCC4)c3)ccc2-c2ccc(C3CCNCC3)nc2F)CC1,IPYVPVJMWGZSFN-UHFFFAOYSA-N
-rxn:5:189001:223131:225980,COC(=O)C1(c2nc(-c3cc(N4CCOCC4)ncc3F)ccc2-c2ccc(N3CCNCC3)cc2)CC1,XQRCRQCPKNMRII-UHFFFAOYSA-N
-rxn:5:189001:223131:225982,COC(=O)C1(c2nc(-c3cnc(N4CCOCC4)cc3F)ccc2-c2ccc(N3CCNCC3)cc2)CC1,ZPFKWBUDWPQJGW-UHFFFAOYSA-N
-rxn:5:189001:225601:223138,COC(=O)C1(c2nc(-c3ccnc(C4CCNCC4)c3)ccc2-c2ccc(C3(C#N)CCC3)cc2F)CC1,OIGNUBCZQVFQRF-UHFFFAOYSA-N
-rxn:5:189001:225980:223008,COC(=O)C1(c2nc(-c3cc(C4CCNCC4)ccc3F)ccc2-c2cc(N3CCOCC3)ncc2F)CC1,KVKKJSPQZFYOEO-UHFFFAOYSA-N
-rxn:5:189001:225980:223131,COC(=O)C1(c2nc(-c3ccc(N4CCNCC4)cc3)ccc2-c2cc(N3CCOCC3)ncc2F)CC1,CQPAFSBDJAHZRW-UHFFFAOYSA-N
-rxn:5:189001:225988:223138,COC(=O)C1(c2nc(-c3ccnc(C4CCNCC4)c3)ccc2-c2c(F)cc(C3OCCO3)cc2F)CC1,XRSUFWPDTPISSV-UHFFFAOYSA-N
-rxn:5:189001:225988:223139,COC(=O)C1(c2nc(-c3ccc(C4CCNCC4)nc3)ccc2-c2c(F)cc(C3OCCO3)cc2F)CC1,RXMNZEGEGHWNPM-UHFFFAOYSA-N
-rxn:5:189001:226663:223065,COC(=O)C1(c2nc(-c3ccc(N4CCNCC4)cc3F)ccc2-c2ccc(N3CCSCC3)nc2)CC1,ITEHSYMULSFELC-UHFFFAOYSA-N
-rxn:5:189207:225931:227907,CCC(C)c1cncc(-c2ccc(-c3cc(C)cc(S(=O)(=O)N(C)C)c3)cc2C(=O)ON2C(=O)CCC2=O)c1,GPKUIPLFUVXIPD-UHFFFAOYSA-N
-rxn:5:189208:225823:226748,COc1cc(C(F)(F)F)ccc1-c1cc(-c2cc(C(C)C)cc(C(F)(F)F)c2)ccc1C(=O)ON1C(=O)CCC1=O,RHBISNAOOJBLRG-UHFFFAOYSA-N
-rxn:5:189209:228117:223004,CC(C)Oc1cncc(-c2cc(C(=O)ON3C(=O)CCC3=O)cc(-c3ccc(C4CCNCC4)c(F)c3)c2)c1,RRUCCQIYZPKUIY-UHFFFAOYSA-N
-rxn:5:189210:228184:226197,COc1ccc(-c2cccc(-c3ccc(C4CCCOC4)cc3)c2C(=O)ON2C(=O)CCC2=O)cc1SC,GMKUDSBMTSLBIO-UHFFFAOYSA-N
-rxn:5:189211:226754:227076,CCOc1c(F)cc(F)c(-c2cccc(C(=O)ON3C(=O)CCC3=O)c2-c2cc(C(C)CC)ccc2F)c1F,SXHHDEKRDZPBRA-UHFFFAOYSA-N
-rxn:5:189319:225652:226662,CC1CCCN(c2cncc(-c3ccc(-c4ccc(N5CCN(C)CC5)s4)nc3C(=O)OC(C)(C)C)c2)C1,HGJNUGLWVHUKDT-UHFFFAOYSA-N
-rxn:5:189319:225655:226662,CC1CCN(c2cncc(-c3ccc(-c4ccc(N5CCN(C)CC5)s4)nc3C(=O)OC(C)(C)C)c2)CC1,DLCXOJHGAVOQLX-UHFFFAOYSA-N
-rxn:5:189320:223064:226663,CC(C)(C)OC(=O)c1cnc(-c2ccc(N3CCSCC3)nc2)c(-c2ccc(C3CCNCC3)nc2F)c1,WGSFJAAGPHICPM-UHFFFAOYSA-N
-rxn:5:189320:223065:226794,CC(C)(C)OC(=O)c1cnc(-c2cnc(N3CCSCC3)nc2)c(-c2ccc(N3CCNCC3)cc2F)c1,LDXYZKNMWSENRR-UHFFFAOYSA-N
-rxn:5:189320:225679:223294,CC(C)(C)OC(=O)c1cnc(-c2csc(N3CCNCC3)n2)c(-c2ccc(N3CCCCC3)cc2F)c1,NFOFIGUTBHINLN-UHFFFAOYSA-N
-rxn:5:189320:225833:226137,CC(C)c1ncc(C2CC2)cc1-c1ncc(C(=O)OC(C)(C)C)cc1-c1ccnc(N2CCCCC2)c1F,IDLYDSKGRXKCDV-UHFFFAOYSA-N
-rxn:5:189320:225978:226644,CC(C)(C)OC(=O)c1cnc(-c2cncc(N3CCOCC3)c2)c(-c2ccc(N3CCOCC3)nc2F)c1,DWWUDPPGOBPBFM-UHFFFAOYSA-N
-rxn:5:189320:225978:226645,CC(C)(C)OC(=O)c1cnc(-c2ccnc(N3CCOCC3)c2)c(-c2ccc(N3CCOCC3)nc2F)c1,FTIKOVGAWLZSFB-UHFFFAOYSA-N
-rxn:5:189320:225980:223132,CC(C)(C)OC(=O)c1cnc(-c2cccc(N3CCNCC3)c2)c(-c2cc(N3CCOCC3)ncc2F)c1,YUHLSXDBEXUQME-UHFFFAOYSA-N
-rxn:5:189320:225980:223133,CC(C)(C)OC(=O)c1cnc(-c2ccccc2N2CCNCC2)c(-c2cc(N3CCOCC3)ncc2F)c1,IFGWUMLAVFBQEX-UHFFFAOYSA-N
-rxn:5:189320:225982:223133,CC(C)(C)OC(=O)c1cnc(-c2ccccc2N2CCNCC2)c(-c2cnc(N3CCOCC3)cc2F)c1,KYCFLFFNOXKKNS-UHFFFAOYSA-N
-rxn:5:189322:226661:225639,CC1CCN(c2ncccc2-c2ncc(-c3cc(N4CCN(C)CC4)cs3)cc2C(=O)OC(C)(C)C)CC1,VTTSCOSHELQTGW-UHFFFAOYSA-N
-rxn:5:189322:226662:225652,CC1CCCN(c2cncc(-c3ncc(-c4ccc(N5CCN(C)CC5)s4)cc3C(=O)OC(C)(C)C)c2)C1,RYYKXKDYPDTVIL-UHFFFAOYSA-N
-rxn:5:189322:226662:225655,CC1CCN(c2cncc(-c3ncc(-c4ccc(N5CCN(C)CC5)s4)cc3C(=O)OC(C)(C)C)c2)CC1,IUDCMQKQNUGEIE-UHFFFAOYSA-N
-rxn:5:189322:227657:225639,CC1CCN(c2ncccc2-c2ncc(-c3ccc(N4CCOCC4)s3)cc2C(=O)OC(C)(C)C)CC1,DPEXPQQUKPSAMI-UHFFFAOYSA-N
-rxn:5:189323:223064:226794,CC(C)(C)OC(=O)c1cc(-c2cnc(N3CCSCC3)nc2)ncc1-c1ccc(C2CCNCC2)nc1F,WPOYDACJDLPGBU-UHFFFAOYSA-N
-rxn:5:189323:225639:226662,CC1CCN(c2ncccc2-c2cnc(-c3ccc(N4CCN(C)CC4)s3)cc2C(=O)OC(C)(C)C)CC1,STDLRIHWKTYIDN-UHFFFAOYSA-N
-rxn:5:189323:225666:223294,CC(C)(C)OC(=O)c1cc(-c2csc(N3CCNCC3)n2)ncc1-c1cc(F)cc(N2CCCCC2)c1,BYADZMIPFQLLEI-UHFFFAOYSA-N
-rxn:5:189323:225834:223056,CC(C)(C)OC(=O)c1cc(-c2ccc(N3CCC(O)CC3)nc2)ncc1-c1cc(N2CCCCC2)ncc1F,OVCGPEJTMDJSJS-UHFFFAOYSA-N
-rxn:5:189323:225834:226794,CC(C)(C)OC(=O)c1cc(-c2cnc(N3CCSCC3)nc2)ncc1-c1cc(N2CCCCC2)ncc1F,BWYVNYZILUKRBX-UHFFFAOYSA-N
-rxn:5:189323:226663:225834,CC(C)(C)OC(=O)c1cc(-c2cc(N3CCCCC3)ncc2F)ncc1-c1ccc(N2CCSCC2)nc1,PARXWAWAYRZIEA-UHFFFAOYSA-N
-rxn:5:189334:223056:225833,CC(C)(C)OC(=O)c1ncc(-c2ccc(N3CCC(O)CC3)nc2)cc1-c1ccnc(N2CCCCC2)c1F,OLUQUIIJFOMIGB-UHFFFAOYSA-N
-rxn:5:189448:225978:226794,COC1CN(C(=O)c2ccc(-c3ccc(N4CCOCC4)nc3F)c(-c3cnc(N4CCSCC4)nc3)c2)C1,GRNBYHVHNXFUOW-UHFFFAOYSA-N
-rxn:5:189448:226438:226794,COC1CN(C(=O)c2ccc(-c3cnc(C4CCCC4)cc3F)c(-c3cnc(N4CCSCC4)nc3)c2)C1,GSOXHVUBLVCPNP-UHFFFAOYSA-N
-rxn:5:189449:225598:228140,COC1CN(C(=O)c2cc(-c3ccc(C(C)N(C)C)s3)ccc2-c2cccc(CN3CCSCC3)c2)C1,NAQBUPGKHBEOCI-UHFFFAOYSA-N
-rxn:5:189449:226794:223065,COC1CN(C(=O)c2cc(-c3ccc(N4CCNCC4)cc3F)ccc2-c2cnc(N3CCSCC3)nc2)C1,YFKQHNOIDFSCMH-UHFFFAOYSA-N
-rxn:5:189449:226794:225980,COC1CN(C(=O)c2cc(-c3cc(N4CCOCC4)ncc3F)ccc2-c2cnc(N3CCSCC3)nc2)C1,VCJDJADPSCRQMS-UHFFFAOYSA-N
-rxn:5:189664:225499:227592,COc1cc(F)cc(-c2cc(-c3ccc(C4CCCCC4)cc3F)ccc2CC(=O)N2CCCC2)c1OC,ZCCCBGYVWSEISP-UHFFFAOYSA-N
-rxn:5:189664:226085:226146,CC1(C)CCc2cc(-c3ccc(CC(=O)N4CCCC4)c(-c4ccc(SC5CCCC5)cc4)c3)ccc2O1,ZVXOXIYTLMTZKD-UHFFFAOYSA-N
-rxn:5:189666:225407:226914,Cc1cc(CC(C)C)ccc1-c1ccc(/C=N/[S@](=O)C(C)(C)C)cc1-c1ccc(C2CCCCCC2)cc1,OBAWUEYVIMJQSU-WWDVYCDYSA-N
-rxn:5:189666:226437:226139,CC(C)(C)[S@@](=O)/N=C/c1ccc(-c2cc(C3CC3)cnc2C2CC2)c(-c2cc(C3CCCC3)ncc2F)c1,PJKLVAYHZSAKQT-KCXVVENJSA-N
-rxn:5:189666:226438:226139,CC(C)(C)[S@@](=O)/N=C/c1ccc(-c2cc(C3CC3)cnc2C2CC2)c(-c2cnc(C3CCCC3)cc2F)c1,GUGDUNYRARPEOV-KCXVVENJSA-N
-rxn:5:189667:225817:222996,CC(C)(C)[S@](=O)/N=C/c1cc(-c2ccc(C(F)(F)F)c(C3CC3)c2)cc(-c2ccc(F)cc2C2CCCNC2)c1,AIZFZLBYIWMWIO-HRRAJUPYSA-N
-rxn:5:189668:225435:227561,COc1cc(F)c(-c2ccc(CC(=O)N3CCCC3)c(-c3ccccc3CN3CCCCC3)c2)cc1OC,QGWPYKBWZNQPND-UHFFFAOYSA-N
-rxn:5:189669:225407:223250,CC(C)(C)S(=O)/N=C/c1ccc(-c2ccc(C3CCCCCC3)cc2)c(-c2ccc3c(c2)NC(=O)CO3)c1,FEJCUZRTZXGPTH-FMFFXOCNSA-N
-rxn:5:189670:226332:226147,Cc1cc(OC(C)C)cc(C)c1-c1ccc(-c2ccccc2C(=O)N2CCC2)cc1/C=N/S(=O)C(C)(C)C,RHGVMTBCDYGLBY-FMFFXOCNSA-N
-rxn:5:189674:226067:225499,CC(C)(C)S(=O)/N=C/c1ccc(-c2ccc(C3CCCCC3)cc2F)cc1-c1ccc(C2=CCCCC2)cc1,CPTZGYYIPGTGKM-HWLOXFRGSA-N
-rxn:5:189718:225937:226188,Cc1cc([Si](C)(C)C)c(C)cc1-c1cc([N+](=O)[O-])c(OC2CCOCC2)cc1-c1cc(C(F)(F)F)ncc1C(C)C,LCZQIJXMTALJRH-UHFFFAOYSA-N
-rxn:5:189908:226068:227766,CCn1nc(C(F)(F)F)cc1-c1ncc(-c2c(C)cc(C(C)(C)C)cc2C)cc1OCC1CCCCC1,WBZXMORYHOCIKR-UHFFFAOYSA-N
-rxn:5:189909:225655:223113,CC1CCN(c2cncc(-c3ccc(-c4ccc5c(c4)C(C)(C)C(=O)N5)cc3CCN3CCOCC3)c2)CC1,TUGSBCZALJIFND-UHFFFAOYSA-N
-rxn:5:189909:226395:223141,c1cc(-c2cncc(N3CCCCC3)c2)c(CCN2CCOCC2)cc1-c1cncc(C2CCNCC2)c1,HAMZILLIJKLRKH-UHFFFAOYSA-N
-rxn:5:189952:225982:227185,COc1c(-c2ccc3c(c2)N(C)CCO3)cc(C(=O)N2CCOCC2)cc1-c1cnc(N2CCOCC2)cc1F,GKEYJHQVQWWJBF-UHFFFAOYSA-N
-rxn:5:189952:226794:226644,COc1c(-c2cnc(N3CCSCC3)nc2)cc(C(=O)N2CCOCC2)cc1-c1cncc(N2CCOCC2)c1,TWQMCTWGJYIXNC-UHFFFAOYSA-N
-rxn:5:190000:226085:227045,CC1(C)CCc2cc(-c3cc(-c4cccc(SC(C)(C)C)c4)ccc3CC(=O)N3CCCCC3)ccc2O1,NDRQWFAPDVAOJE-UHFFFAOYSA-N
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-rxn:5:190000:227506:223140,O=C(Cc1ccc(-c2ccnc(C3CCCNC3)c2)cc1-c1cccc(/C=C/[N+](=O)[O-])c1)N1CCCCC1,JDRKYANJGLLVCJ-SFQUDFHCSA-N
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-rxn:5:190195:223113:226571,CN(Cc1ccc(-c2ccc3c(c2)C(C)(C)C(=O)N3)c(-c2cnn(CC3CCOCC3)c2)c1)C1CCOCC1,VTQDPGITYSSGFS-UHFFFAOYSA-N
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-rxn:5:190201:225784:223113,CC1CN(CCc2cc(-c3ccc(CN4CCOCC4)nc3)ccc2-c2ccc3c(c2)C(C)(C)C(=O)N3)CCO1,FSZKWLNQIIFMIV-UHFFFAOYSA-N
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-rxn:5:190265:225601:225886,CC1CCCN(C(=O)Cc2ccc(-c3ccc4c(ccn4S(C)(=O)=O)c3)c(-c3ccc(C4(C#N)CCC4)cc3F)c2)C1,YZXNWZWAYZAJMH-UHFFFAOYSA-N
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-rxn:5:190265:226432:227899,CCC#Cc1cncc(-c2ccc(CC(=O)N3CCCC(C)C3)cc2-c2ccc(C3CCCC3)nc2F)c1,NNZQTKFYAKWDRN-UHFFFAOYSA-N
-rxn:5:190265:227899:226432,CCC#Cc1cncc(-c2cc(CC(=O)N3CCCC(C)C3)ccc2-c2ccc(C3CCCC3)nc2F)c1,SCCLVMJQYGBSRT-UHFFFAOYSA-N
-rxn:5:190265:227906:223138,CCC(C)c1ncccc1-c1cc(CC(=O)N2CCCC(C)C2)ccc1-c1ccnc(C2CCNCC2)c1,YYKDHBJZNZORDS-UHFFFAOYSA-N
-rxn:5:190265:227909:223061,CCC(C)c1cc(-c2cc(CC(=O)N3CCCC(C)C3)ccc2-c2cc(C3CCNCC3)ncc2F)ccn1,GLQLTFNVGPXQLE-UHFFFAOYSA-N
-rxn:5:190265:228708:225469,CC1CCCN(C(=O)Cc2ccc(-c3ccc(N4CCCC(C)C4)cc3)c(-c3cncnc3C3CC3)c2)C1,CXINPJIVDFRCBB-UHFFFAOYSA-N
-rxn:5:190307:223138:227710,CC1CCN(CCc2cc(-c3ccnc(C4CCNCC4)c3)ccc2-c2ccc(OS(C)(=O)=O)cc2)CC1,JWMFOJNOPBOHKH-UHFFFAOYSA-N
-rxn:5:190307:227710:223138,CC1CCN(CCc2cc(-c3ccc(OS(C)(=O)=O)cc3)ccc2-c2ccnc(C3CCNCC3)c2)CC1,HHLWRIAFOPABJF-UHFFFAOYSA-N
-rxn:5:190309:225453:228155,COc1ccc(-c2ccc(-c3cccc(SC4CCCCC4)c3)cc2CCN2CCCCC2C)cc1OC,FBSYUJIUNYGDDX-UHFFFAOYSA-N
-rxn:5:190336:223062:227907,CCC(C)c1cncc(-c2cc(C(=O)N3CCCC(C)C3)cc(-c3cnc(C4CCNCC4)cc3F)c2OC)c1,BBLUFYDAKBNEGS-UHFFFAOYSA-N
-rxn:5:190336:226150:225886,COc1c(-c2cccc(SC3CCCC3)c2)cc(C(=O)N2CCCC(C)C2)cc1-c1ccc2c(ccn2S(C)(=O)=O)c1,AIPUVASTHOXYNS-UHFFFAOYSA-N
-rxn:5:190337:227052:227922,CCc1cc(OC)ccc1-c1cc(C(=O)N2CCC(C)CC2)cc(-c2ccc(SC(C)(C)C)cc2)c1OC,RMKJIRANBHKQIL-UHFFFAOYSA-N
-rxn:5:190337:228679:227352,COC(=O)c1ccc(C)cc1-c1cc(C(=O)N2CCC(C)CC2)cc(-c2cnn(CC3CC3)c2)c1OC,XJYORBIURBTQBE-UHFFFAOYSA-N
-rxn:5:190404:228393:226053,COc1c(F)cc(F)cc1-c1ccc(C(=O)N2CCSC(c3ccccc3-c3ccc(F)c(OC(F)(F)F)c3F)CC2)o1,CDHUBMBSLRYANK-UHFFFAOYSA-N
-rxn:5:190459:228313:225453,COc1ccc(-c2ccccc2C(=O)N2CCSC(c3ccccc3-c3cccc(SC4CCCCC4)c3)CC2)c(OC)n1,DUYVJWMUTLKMPQ-UHFFFAOYSA-N
-rxn:5:190484:226146:228586,CC(C)c1ncccc1-c1ccccc1C1CCN(C(=O)c2cccc(-c3ccc(SC4CCCC4)cc3)c2)CCS1(=O)=O,WAWQHJRZTCXQSN-UHFFFAOYSA-N
-rxn:5:190484:226150:228586,CC(C)c1ncccc1-c1ccccc1C1CCN(C(=O)c2cccc(-c3cccc(SC4CCCC4)c3)c2)CCS1(=O)=O,USIXJOVZCAZQDF-UHFFFAOYSA-N
-rxn:5:190484:226349:223239,CC(C)(C)Oc1cc(F)cc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4cncc(C5CCCN5)c4)S(=O)(=O)CC3)c2)c1,DIODJPXFIUASET-UHFFFAOYSA-N
-rxn:5:190484:226589:226974,CC(C)c1cnc(C(F)F)cc1-c1cccc(C(=O)N2CCC(c3ccccc3-c3ccc4c(c3)COC4(C)C)S(=O)(=O)CC2)c1,RXXPZTGYHRGAQC-UHFFFAOYSA-N
-rxn:5:190484:227052:228721,CC(C)(C)Sc1ccc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4ccnn4C(C)(C)C)S(=O)(=O)CC3)c2)cc1,MZWZNFUFQBYPRM-UHFFFAOYSA-N
-rxn:5:190484:227449:223200,O=C(c1cccc(-c2ccc(C3CCOCC3)s2)c1)N1CCC(c2ccccc2-c2ccc(C3CCNC3)cc2)S(=O)(=O)CC1,YLEYBJFWOWBSNG-UHFFFAOYSA-N
-rxn:5:190484:227815:227409,CCC(C)c1ccccc1-c1cccc(C(=O)N2CCC(c3ccccc3-c3cc(C(C)(C)C)ncc3F)S(=O)(=O)CC2)c1,USFFJCBQFAZMTA-UHFFFAOYSA-N
-rxn:5:190484:227921:226179,COC(C)c1cccc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4cncc(C5CCCCC5)c4)S(=O)(=O)CC3)c2)c1,VKPZEKITKHJQAH-UHFFFAOYSA-N
-rxn:5:190484:228261:226085,CSc1ccc(F)c(C)c1-c1cccc(C(=O)N2CCC(c3ccccc3-c3ccc4c(c3)CCC(C)(C)O4)S(=O)(=O)CC2)c1,JQUMNPZZUKMOBT-UHFFFAOYSA-N
-rxn:5:190484:228756:226058,CSc1ccc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4c(C(C)C)cccc4C(C)C)S(=O)(=O)CC3)c2)c(C)n1,AVRBQWYFABHKPO-UHFFFAOYSA-N
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-rxn:5:190742:225654:225677,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(N4CCCC(C)C4)nc3)c2c1-c1ccc(C2CCCCC2)nc1F,QMSKWFQKELSICT-UHFFFAOYSA-N
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-rxn:5:190742:226330:225849,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(C(C)N4CCCC4)s3)c2c1-c1cnc(N2CCCCC2)cc1F,JAHXIMNPIWXUHM-UHFFFAOYSA-N
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-rxn:5:190744:225633:225655,CCOC(=O)c1cnc2c(-c3ccc(N4CCCCCC4)nc3)c(C)ccc2c1-c1cncc(N2CCC(C)CC2)c1,DYCAGOWZLUWVKU-UHFFFAOYSA-N
-rxn:5:190744:225636:225677,CCOC(=O)c1cnc2c(-c3ccnc(N4CCC(C)CC4)c3)c(C)ccc2c1-c1ccc(C2CCCCC2)nc1F,FJFYUFTWGJDBQT-UHFFFAOYSA-N
-rxn:5:190744:225641:225666,CCOC(=O)c1cnc2c(-c3ccnc(N4CCCC(C)C4)c3)c(C)ccc2c1-c1cc(F)cc(N2CCCCC2)c1,WSDALGHYBVWYOY-UHFFFAOYSA-N
-rxn:5:190744:225641:225672,CCOC(=O)c1cnc2c(-c3ccnc(N4CCCC(C)C4)c3)c(C)ccc2c1-c1cc(F)nc(C2CCCCC2)c1,WVXCMCZZCHTLJB-UHFFFAOYSA-N
-rxn:5:190744:225652:225671,CCOC(=O)c1cnc2c(-c3cncc(N4CCCC(C)C4)c3)c(C)ccc2c1-c1cc(C2CCCCC2)ncc1F,TZIZPQXHAQOVBM-UHFFFAOYSA-N
-rxn:5:190744:225652:225672,CCOC(=O)c1cnc2c(-c3cncc(N4CCCC(C)C4)c3)c(C)ccc2c1-c1cc(F)nc(C2CCCCC2)c1,BCAPZZXAHKUYDW-UHFFFAOYSA-N
-rxn:5:190744:225671:225636,CCOC(=O)c1cnc2c(-c3cc(C4CCCCC4)ncc3F)c(C)ccc2c1-c1ccnc(N2CCC(C)CC2)c1,DBUBJPBRWHAOJB-UHFFFAOYSA-N
-rxn:5:190744:225671:225652,CCOC(=O)c1cnc2c(-c3cc(C4CCCCC4)ncc3F)c(C)ccc2c1-c1cncc(N2CCCC(C)C2)c1,YLKJVTCRPYKZEF-UHFFFAOYSA-N
-rxn:5:190744:225672:225639,CCOC(=O)c1cnc2c(-c3cc(F)nc(C4CCCCC4)c3)c(C)ccc2c1-c1cccnc1N1CCC(C)CC1,JJOGLFHADXVTQA-UHFFFAOYSA-N
-rxn:5:190744:225677:225636,CCOC(=O)c1cnc2c(-c3ccc(C4CCCCC4)nc3F)c(C)ccc2c1-c1ccnc(N2CCC(C)CC2)c1,YVTTZDBYWSECRE-UHFFFAOYSA-N
-rxn:5:190744:225849:225462,CCOC(=O)c1cnc2c(-c3cnc(N4CCCCC4)cc3F)c(C)ccc2c1-c1cccc(N2CCC(C)CC2)c1,BTPAKCHARNYURA-UHFFFAOYSA-N
-rxn:5:190744:225976:225656,CCOC(=O)c1cnc2c(-c3ccnc(N4CCOCC4)c3F)c(C)ccc2c1-c1cncc(N2CCCCC2C)c1,CKNXBIBUQIKRDH-UHFFFAOYSA-N
-rxn:5:190744:225982:225636,CCOC(=O)c1cnc2c(-c3cnc(N4CCOCC4)cc3F)c(C)ccc2c1-c1ccnc(N2CCC(C)CC2)c1,XZQIHYDNDTZUSE-UHFFFAOYSA-N
-rxn:5:190795:223294:225833,CC(C)(C)OC(=O)n1cc(-c2csc(N3CCNCC3)n2)c2ccc(-c3ccnc(N4CCCCC4)c3F)cc21,ZFHJDTYIINJIMN-UHFFFAOYSA-N
-rxn:5:190796:225451:226069,CC(C)(C)OC(=O)n1cc(-c2ccc(SC3CCCCC3)cc2)c2c(-c3cccc(C4CCCCC4)c3)cccc21,LWKPGOMXJCSQGF-UHFFFAOYSA-N
-rxn:5:190798:226794:225833,CC(C)(C)OC(=O)n1cc(-c2cnc(N3CCSCC3)nc2)c2cc(-c3ccnc(N4CCCCC4)c3F)ccc21,PJMMIHYPQVPJKN-UHFFFAOYSA-N
-rxn:5:190799:225833:226794,CC(C)(C)OC(=O)n1ccc2c(-c3ccnc(N4CCCCC4)c3F)c(-c3cnc(N4CCSCC4)nc3)ccc21,RCOYCQVTQYAJLP-UHFFFAOYSA-N
-rxn:5:190799:226794:225833,CC(C)(C)OC(=O)n1ccc2c(-c3cnc(N4CCSCC4)nc3)c(-c3ccnc(N4CCCCC4)c3F)ccc21,LPJAWAGVWMLVSY-UHFFFAOYSA-N
-rxn:5:190833:223250:228275,COc1c(F)cc(C)cc1-c1ccc(-c2ccc3c(c2)NC(=O)CO3)c2c1CN(C(=O)OC(C)(C)C)C2=O,SUHRLHUURILEFM-UHFFFAOYSA-N
-rxn:5:190859:223058:223112,CC(C)c1ccc2[nH]ncc2c1-c1c(-c2cc(F)nc(C3CCCNC3)c2)ccc2c1CCN2C(=O)OC(C)(C)C,DSFUVSHGKLSGRR-UHFFFAOYSA-N
-rxn:5:190859:223063:222987,Cc1nc(C2CCNCC2)ccc1-c1c(-c2cc(F)nc(C3CCNCC3)c2)ccc2c1CCN2C(=O)OC(C)(C)C,ULLWESGOKPVWEG-UHFFFAOYSA-N
-rxn:5:190859:223112:223064,CC(C)c1ccc2[nH]ncc2c1-c1ccc2c(c1-c1ccc(C3CCNCC3)nc1F)CCN2C(=O)OC(C)(C)C,JLXZNRFVQLGWHQ-UHFFFAOYSA-N
-rxn:5:190859:223112:225674,CC(C)c1ccc2[nH]ncc2c1-c1ccc2c(c1-c1cnc(C3CCCCC3)cc1F)CCN2C(=O)OC(C)(C)C,ZCJIOFHRNFWYIQ-UHFFFAOYSA-N
-rxn:5:190859:223112:225834,CC(C)c1ccc2[nH]ncc2c1-c1ccc2c(c1-c1cc(N3CCCCC3)ncc1F)CCN2C(=O)OC(C)(C)C,DZLXPLYEFNAYHA-UHFFFAOYSA-N
-rxn:5:190859:223112:225849,CC(C)c1ccc2[nH]ncc2c1-c1ccc2c(c1-c1cnc(N3CCCCC3)cc1F)CCN2C(=O)OC(C)(C)C,BERUQNMLYHTUEF-UHFFFAOYSA-N
-rxn:5:190859:225407:228503,CC(C)(C)OC(=O)N1CCc2c1ccc(-c1ccc(C3CCCCCC3)cc1)c2-c1ccc2c(c1)CCC2,UDFFZHCHHOHOOU-UHFFFAOYSA-N
-rxn:5:190859:225834:229049,CC(C)(C)OC(=O)N1CCc2c1ccc(-c1cc(N3CCCCC3)ncc1F)c2-c1cnc2n1CCC2,NUNYSTGYFZYCOD-UHFFFAOYSA-N
-rxn:5:190859:225976:228879,CC(C)(C)OC(=O)N1CCc2c1ccc(-c1ccnc(N3CCOCC3)c1F)c2-c1ccnn1C1COC1,XHXQFAZEZPWRQS-UHFFFAOYSA-N
-rxn:5:190859:225976:229049,CC(C)(C)OC(=O)N1CCc2c1ccc(-c1ccnc(N3CCOCC3)c1F)c2-c1cnc2n1CCC2,QIYSOKCMSFYNGL-UHFFFAOYSA-N
-rxn:5:190859:225980:229048,CC(C)(C)OC(=O)N1CCc2c1ccc(-c1cc(N3CCOCC3)ncc1F)c2-c1cnn2c1CCC2,SOGUEWXHFGCRSA-UHFFFAOYSA-N
-rxn:5:190859:225980:229049,CC(C)(C)OC(=O)N1CCc2c1ccc(-c1cc(N3CCOCC3)ncc1F)c2-c1cnc2n1CCC2,UITVKNIGENHNNT-UHFFFAOYSA-N
-rxn:5:190859:225982:229049,CC(C)(C)OC(=O)N1CCc2c1ccc(-c1cnc(N3CCOCC3)cc1F)c2-c1cnc2n1CCC2,HZXSAEMIVCUEJM-UHFFFAOYSA-N
-rxn:5:190859:226146:225453,CC(C)(C)OC(=O)N1CCc2c1ccc(-c1ccc(SC3CCCC3)cc1)c2-c1cccc(SC2CCCCC2)c1,JBZHWKURLJLOBX-UHFFFAOYSA-N
-rxn:5:190859:226664:228653,CC(C)(C)OC(=O)N1CCc2c1ccc(-c1cc(N3CCCC3)ncc1F)c2-c1cnn2c1CCCC2,JTYAOPQCZFEDLN-UHFFFAOYSA-N
-rxn:5:190859:226664:228879,CC(C)(C)OC(=O)N1CCc2c1ccc(-c1cc(N3CCCC3)ncc1F)c2-c1ccnn1C1COC1,GYEUQPBVFNGFKZ-UHFFFAOYSA-N
-rxn:5:190859:226679:228879,CC(C)(C)OC(=O)N1CCc2c1ccc(-c1cnc(N3CCCC3)cc1F)c2-c1ccnn1C1COC1,REFQRMHEAFRGHB-UHFFFAOYSA-N
-rxn:5:190859:226794:223064,CC(C)(C)OC(=O)N1CCc2c1ccc(-c1cnc(N3CCSCC3)nc1)c2-c1ccc(C2CCNCC2)nc1F,WUZQRGOQLYAPOD-UHFFFAOYSA-N
-rxn:5:190859:226794:225834,CC(C)(C)OC(=O)N1CCc2c1ccc(-c1cnc(N3CCSCC3)nc1)c2-c1cc(N2CCCCC2)ncc1F,GKOHNEYVROQGLN-UHFFFAOYSA-N
-rxn:5:190859:228207:226794,CC(C)(C)OC(=O)N1CCc2c1ccc(-c1cc(C3CC3)cnc1F)c2-c1cnc(N2CCSCC2)nc1,LSFDPRVNJYSUPB-UHFFFAOYSA-N
-rxn:5:190859:228876:225833,CC(C)(C)OC(=O)N1CCc2c1ccc(-c1cnn(C3CC3F)c1)c2-c1ccnc(N2CCCCC2)c1F,JMNPYIHXTPIPHB-UHFFFAOYSA-N
-rxn:5:190998:225982:227960,COC(=O)c1cc(-c2ccncc2C2CCC2)ccc1N1Cc2cc(-c3cnc(N4CCOCC4)cc3F)ccc2OCC1=O,BWZXNPBXVRESQD-UHFFFAOYSA-N
-rxn:5:190998:227066:226153,COC(=O)c1cc(-c2cc(C3CC3)c(OC)cc2C)ccc1N1Cc2cc(-c3cccc(C(=O)C4CC4)c3)ccc2OCC1=O,MMYIKOGUBGDUFR-UHFFFAOYSA-N
-rxn:5:191026:227810:226974,CCC(C)c1ccc(-c2ccc3c(c2)N(c2ccc(C)c(-c4ccc5c(c4)COC5(C)C)c2)C=C(C(=O)OC)S3(=O)=O)cc1,CQQLABNYDVKGGY-UHFFFAOYSA-N
-rxn:5:191026:228606:226068,CCc1ccc(F)c(-c2ccc3c(c2)N(c2ccc(C)c(-c4c(C)cc(C(C)(C)C)cc4C)c2)C=C(C(=O)OC)S3(=O)=O)c1,XNAVKSFLMYLMDO-UHFFFAOYSA-N
-rxn:5:191049:227087:227296,COc1cc(N2Cc3cc(-c4cc(C)cnc4C(C)(C)C)ccc3OCC2=O)c(OC)cc1-c1ccc(OC2CCC2)nc1,MWNJUKKMHUCUHD-UHFFFAOYSA-N
-rxn:5:191049:227561:225449,COc1cc(F)c(-c2ccc3c(c2)CN(c2cc(OC)c(-c4cccc(OC5CCCCC5)c4)cc2OC)C(=O)CO3)cc1OC,WRUAIYBXMVMZBG-UHFFFAOYSA-N
-rxn:5:191049:228178:225407,COCc1ccc(F)c(-c2ccc3c(c2)CN(c2cc(OC)c(-c4ccc(C5CCCCCC5)cc4)cc2OC)C(=O)CO3)c1,UROCNVNWLCDIHV-UHFFFAOYSA-N
-rxn:5:192565:225824:225653,CC1CCCCN1c1ccc(-c2cc(-c3cc(C4CC4)cc(C(F)(F)F)c3)ccc2C2(C#N)CCC2)cn1,PZRWULYEKRTCFL-UHFFFAOYSA-N
-rxn:5:193226:223061:225784,O=C(c1ccc(-c2cc(C3CCNCC3)ncc2F)c(-c2ccc(CN3CCOCC3)nc2)c1)N1CCOCC1,JJWHITUJLXIOAL-UHFFFAOYSA-N
-rxn:5:193226:225655:223006,CC1CCN(c2cncc(-c3ccc(C(=O)N4CCOCC4)cc3-c3ccc(F)c(C4CCNCC4)c3)c2)CC1,PQLCNAKIGIRYFN-UHFFFAOYSA-N
-rxn:5:193226:225834:223061,O=C(c1ccc(-c2cc(N3CCCCC3)ncc2F)c(-c2cc(C3CCNCC3)ncc2F)c1)N1CCOCC1,NUMUXSREUBPCLF-UHFFFAOYSA-N
-rxn:5:193229:226583:223006,O=C(c1cccc(-c2ccc(CN3CCOCC3)s2)c1-c1ccc(F)c(C2CCNCC2)c1)N1CCOCC1,AXTDXDKKFGHXIX-UHFFFAOYSA-N
-rxn:5:193229:226679:226644,O=C(c1cccc(-c2cnc(N3CCCC3)cc2F)c1-c1cncc(N2CCOCC2)c1)N1CCOCC1,RVBMXFMFONIWLO-UHFFFAOYSA-N
-rxn:5:193230:226334:222998,Cc1cc(C(=O)N(C)C)cc(-c2ccc(C(=O)N3CCOCC3)c(-c3cc(F)cc(C4CCCNC4)c3)c2)c1,UHINVSVAVCERTL-UHFFFAOYSA-N
-rxn:5:193231:225834:227490,CC(C)(C)Oc1ncc(-c2cc(-c3cc(N4CCCCC4)ncc3F)ccc2C(=O)N2CCSCC2)cn1,YKGPNXBIYWNKBZ-UHFFFAOYSA-N
-rxn:5:193333:226686:226176,Cc1cnn(C2CCCCO2)c1-c1ccc(CN2CCOCC2)cc1-c1ccncc1C1CCCCC1,PEUHYFRFSVEKKD-UHFFFAOYSA-N
-rxn:5:193336:225803:223113,CC1(C)C(=O)Nc2ccc(-c3c(CN4CCOCC4)cccc3-c3ccnc(OC4CCOCC4)c3)cc21,SQOXRTYJPOVETO-UHFFFAOYSA-N
-rxn:5:193382:222957:227387,Cc1cc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3ccnc(N4CCCC4)c3)c2)cc(C2CCCNC2)c1,OONCKMWAXUXSLL-UHFFFAOYSA-N
-rxn:5:193382:222960:223148,Cc1cc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3ccccc3C3CNCCO3)c2)cc(C2CCNCC2)c1,HZOBCOPLTNQFJP-UHFFFAOYSA-N
-rxn:5:193382:222987:222960,Cc1cc(-c2cc(-c3ccc(C4CCNCC4)nc3C)ccc2S(=O)(=O)N2CCOCC2)cc(C2CCNCC2)c1,NWFBGHBTOFGRKV-UHFFFAOYSA-N
-rxn:5:193382:223001:223140,O=S(=O)(c1ccc(-c2cc(C3CCCNC3)ccc2F)cc1-c1ccnc(C2CCCNC2)c1)N1CCOCC1,AHRIVASQZRKJIX-UHFFFAOYSA-N
-rxn:5:193382:223058:225980,O=S(=O)(c1ccc(-c2cc(F)nc(C3CCCNC3)c2)cc1-c1cc(N2CCOCC2)ncc1F)N1CCOCC1,JDKVLKWHBRRMQR-UHFFFAOYSA-N
-rxn:5:193382:223061:226177,O=S(=O)(c1ccc(-c2cc(C3CCNCC3)ncc2F)cc1-c1ccnc(C2CCCCC2)c1)N1CCOCC1,CBMVCSXBEPRBLY-UHFFFAOYSA-N
-rxn:5:193382:223065:227376,O=S(=O)(c1ccc(-c2ccc(N3CCNCC3)cc2F)cc1-c1cncc(N2CCCC2)c1)N1CCOCC1,BJHJLEJJJSITTI-UHFFFAOYSA-N
-rxn:5:193382:223141:222986,Cc1cc(-c2cc(-c3cncc(C4CCNCC4)c3)ccc2S(=O)(=O)N2CCOCC2)cc(C2CCCNC2)n1,FGYHTTKELQOXQR-UHFFFAOYSA-N
-rxn:5:193382:223148:222958,Cc1ccc(-c2cc(-c3ccccc3C3CNCCO3)ccc2S(=O)(=O)N2CCOCC2)cc1C1CCNCC1,LWVBUZZVKZXRDQ-UHFFFAOYSA-N
-rxn:5:193382:223288:226645,CNS(=O)(=O)c1cccc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3ccnc(N4CCOCC4)c3)c2)c1,GCWPGKGQAXKCAR-UHFFFAOYSA-N
-rxn:5:193382:225834:223378,O=S(=O)(c1ccc(-c2cc(N3CCCCC3)ncc2F)cc1-c1cnc2c(c1)NCCO2)N1CCOCC1,DXUKHDCOWIWYIX-UHFFFAOYSA-N
-rxn:5:193382:225880:222988,Cc1cc(-c2cc(-c3cc(C4CCOCC4)ncc3F)ccc2S(=O)(=O)N2CCOCC2)cc(C2CCNCC2)n1,DEHCTYMDKBLWHZ-UHFFFAOYSA-N
-rxn:5:193382:225880:223200,O=S(=O)(c1ccc(-c2cc(C3CCOCC3)ncc2F)cc1-c1ccc(C2CCNC2)cc1)N1CCOCC1,IJKURDVXRFCPIH-UHFFFAOYSA-N
-rxn:5:193382:226413:223135,O=S(=O)(c1ccc(-c2cccc(N3CCOCC3)c2)cc1-c1cccnc1C1CCCNC1)N1CCOCC1,CLJUNNLMHYWZRZ-UHFFFAOYSA-N
-rxn:5:193382:226583:223286,CS(=O)(=O)Nc1cccc(-c2cc(-c3ccc(CN4CCOCC4)s3)ccc2S(=O)(=O)N2CCOCC2)c1,CPCNVFXWKYBPIS-UHFFFAOYSA-N
-rxn:5:193382:226662:227449,CN1CCN(c2ccc(-c3ccc(S(=O)(=O)N4CCOCC4)c(-c4ccc(C5CCOCC5)s4)c3)s2)CC1,VJIOLVOXBDSOMN-UHFFFAOYSA-N
-rxn:5:193382:226665:223295,CS(=O)(=O)Nc1cncc(-c2cc(-c3cnc(C4CCCOC4)nc3)ccc2S(=O)(=O)N2CCOCC2)c1,AEJAQGLQJSAPFF-UHFFFAOYSA-N
-rxn:5:193382:227437:225640,CC1CCCCN1c1cc(-c2cc(-c3ccnc(C4CCCO4)c3)ccc2S(=O)(=O)N2CCOCC2)ccn1,JAGOTKOFMVNENU-UHFFFAOYSA-N
-rxn:5:193382:227656:223287,CNS(=O)(=O)c1ccc(-c2cc(-c3cc(N4CCOCC4)cs3)ccc2S(=O)(=O)N2CCOCC2)cc1,VZNDQEBQCXDUJO-UHFFFAOYSA-N
-rxn:5:193459:225982:227490,CC(C)(C)Oc1ncc(-c2cc(C(=O)N3CCCCC3)cc(-c3cnc(N4CCOCC4)cc3F)c2)cn1,KHHITRRLIVFGIR-UHFFFAOYSA-N
-rxn:5:193460:227610:226366,O=C(c1cccc(-c2ccn(C3CCCCO3)n2)c1-c1ccnc(N2CCCCC2)c1)N1CCCCC1,VCCCWVCBLMRNGY-UHFFFAOYSA-N
-rxn:5:193463:225407:227052,CC(C)(C)Sc1ccc(-c2cc(-c3ccc(C4CCCCCC4)cc3)ccc2CN2CCC(=O)CC2)cc1,BBEQQVBBQGXRIC-UHFFFAOYSA-N
-rxn:5:193506:228868:223148,COC(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3ccccc3C3CNCCO3)c2)s1,VQTIMDLWSFGLHW-UHFFFAOYSA-N
-rxn:5:193539:223004:226437,Fc1cnc(C2CCCC2)cc1-c1cc(CN2CCCCC2)ccc1-c1ccc(C2CCNCC2)c(F)c1,QNZXDWHOSCNZKB-UHFFFAOYSA-N
-rxn:5:193540:226686:226174,Cc1cnn(C2CCCCO2)c1-c1ccc(CN2CCCCC2)c(-c2ccc(C3CCCCC3)nc2)c1,VNGCVKDSDQYYFF-UHFFFAOYSA-N
-rxn:5:193541:225944:226855,COc1cc(C(F)(F)F)c(-c2cc(CN3CCCCC3)cc(-c3c(F)cc(F)c(OC(C)C)c3F)c2)cn1,WOOGXDIFBMQCDN-UHFFFAOYSA-N
-rxn:5:193598:225833:223011,CC(C)Oc1cc2cn[nH]c2cc1-c1ccc(-c2ccnc(N3CCCCC3)c2F)cc1C(=O)N1CCOC(C)C1,KUSMCOMSPVFKBX-UHFFFAOYSA-N
-rxn:5:193598:225834:223011,CC(C)Oc1cc2cn[nH]c2cc1-c1ccc(-c2cc(N3CCCCC3)ncc2F)cc1C(=O)N1CCOC(C)C1,QYSDCXOYWQDGFU-UHFFFAOYSA-N
-rxn:5:193598:227513:223054,COc1nc(OC)c(-c2ccc(-c3ccc(C(C)N4CCC(O)C4)s3)c(C(=O)N3CCOC(C)C3)c2)cc1C,MIYZRRLTOKGFSD-UHFFFAOYSA-N
-rxn:5:193681:222985:227076,CCC(C)c1ccc(F)c(-c2ccc(-c3ccc(C4CCCNC4)nc3C)cc2OC2CCN(C)CC2)c1,CLIMBJHLCCJHQO-UHFFFAOYSA-N
-rxn:5:193711:223001:227561,COc1cc(F)c(-c2ccccc2C=C2SC(=S)N(c3ccc(-c4cc(C5CCCNC5)ccc4F)cc3)C2=O)cc1OC,NQVBRDCBAGIFBU-UHFFFAOYSA-N
-rxn:5:193749:225607:228155,COc1ccc(-c2ccc(-c3ccc(C(C)N4CCCCC4)s3)cc2C(=O)N2CCCCC2C)cc1OC,ZUFIYKVZATZOHE-UHFFFAOYSA-N
-rxn:5:193749:225886:225407,CC1CCCCN1C(=O)c1cc(-c2ccc3c(ccn3S(C)(=O)=O)c2)ccc1-c1ccc(C2CCCCCC2)cc1,CHIMEGYDFDXDKT-UHFFFAOYSA-N
-rxn:5:193749:227289:226414,CC1CCCCN1C(=O)c1cc(-c2cccnc2OC(C)(C)C)ccc1-c1ccc(C2=NCCCO2)cc1,VEKIWMYETJMQFT-UHFFFAOYSA-N
-rxn:5:193750:225886:225407,CC1CCN(C(=O)c2cc(-c3ccc4c(ccn4S(C)(=O)=O)c3)ccc2-c2ccc(C3CCCCCC3)cc2)CC1,WIQYFTFUHUEMBQ-UHFFFAOYSA-N
-rxn:5:193750:226761:223286,CSc1ccc(-c2ccc(-c3cccc(NS(C)(=O)=O)c3)c(C(=O)N3CCC(C)CC3)c2)c(C(F)(F)F)c1,LNIXYJOZXDJKEI-UHFFFAOYSA-N
-rxn:5:193752:225886:225448,Cc1ccc(OC2CCCC2)c(-c2cc(C(=O)N3CCCC(C)C3)ccc2-c2ccc3c(ccn3S(C)(=O)=O)c2)c1,DIGOQLGTZUVPBX-UHFFFAOYSA-N
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-rxn:5:193755:223011:223062,CC1CCCN(C(=O)c2cccc(-c3cc4[nH]ncc4cc3OC(C)C)c2-c2cnc(C3CCNCC3)cc2F)C1,VRIQKYZROPLBOH-UHFFFAOYSA-N
-rxn:5:193755:223011:223064,CC1CCCN(C(=O)c2cccc(-c3cc4[nH]ncc4cc3OC(C)C)c2-c2ccc(C3CCNCC3)nc2F)C1,QZIUPLKMIZJCGG-UHFFFAOYSA-N
-rxn:5:193756:223136:225819,CC1CCCCN1C(=O)c1ccc(-c2ccncc2C2CCCNC2)cc1-c1cc(C(F)(F)F)ccc1C1CC1,ZKBBRLFILBFBKP-UHFFFAOYSA-N
-rxn:5:193756:225640:222981,CC1CCCCN1C(=O)c1ccc(-c2ccnc(N3CCCCC3C)c2)cc1-c1ccnc(NC2CCCCC2)c1,JCWQYJOTPYABDG-UHFFFAOYSA-N
-rxn:5:193756:225808:225592,CC1CCCCN1C(=O)c1ccc(-c2cc(OC3CCCC3)ncc2F)cc1-c1cc(F)ccc1CN1CCCC1,ZHCQAFRXMNXQNM-UHFFFAOYSA-N
-rxn:5:193756:226588:226437,CC1CCCCN1C(=O)c1ccc(-c2cc(OC3CCC3)ncc2F)cc1-c1cc(C2CCCC2)ncc1F,IKKUPIJLCMNSRP-UHFFFAOYSA-N
-rxn:5:193756:226745:226438,CCc1ncc(C(F)(F)F)cc1-c1ccc(C(=O)N2CCCCC2C)c(-c2cnc(C3CCCC3)cc2F)c1,XHDXEXUQTNEDGH-UHFFFAOYSA-N
-rxn:5:193756:226842:225808,CC1CCCCN1C(=O)c1ccc(-c2cncc(C(=O)C(F)(F)F)c2)cc1-c1cc(OC2CCCC2)ncc1F,XPTQSCPBSRUBNU-UHFFFAOYSA-N
-rxn:5:193807:227390:226067,CC1CCN(Cc2cccc(-c3ccc(C4=CCCCC4)cc3)c2-c2ccnn2C2CCCCC2)CC1,FFHFNHMQDGCMQL-UHFFFAOYSA-N
-rxn:5:193808:223136:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(-c2ccncc2C2CCCNC2)cc1CN1CCC(C)CC1,AQKMMYXEWLBLSG-UHFFFAOYSA-N
-rxn:5:193809:223062:227710,CC1CCN(Cc2ccc(-c3cnc(C4CCNCC4)cc3F)cc2-c2ccc(OS(C)(=O)=O)cc2)CC1,ZXFLDAMSVZMZFY-UHFFFAOYSA-N
-rxn:5:193809:225440:223285,CC1CCN(Cc2ccc(-c3ccc(C4(C#N)CCCC4)cc3)cc2-c2ccccc2NS(C)(=O)=O)CC1,DWHULHVZOUUCPO-UHFFFAOYSA-N
-rxn:5:193866:225886:226777,Cc1cc(-c2cc(C3(N4CCC(=O)CC4)CC3)ccc2-c2ccc3c(ccn3S(C)(=O)=O)c2)cc(OC(F)F)c1F,HYQHFTKGTSFWDL-UHFFFAOYSA-N
-rxn:5:193866:226136:225886,Cc1cc(C#N)c(-c2ccc(C3(N4CCC(=O)CC4)CC3)cc2-c2ccc3c(ccn3S(C)(=O)=O)c2)cc1C1CC1,CNPJIQFRBPLFLK-UHFFFAOYSA-N
-rxn:5:193866:226916:227587,COc1cc(-c2cc(C3(N4CCC(=O)CC4)CC3)ccc2-c2cccc(C3=CCCC3)c2)cc(F)c1OC,JGXQKJSZXWBNKA-UHFFFAOYSA-N
-rxn:5:193866:227021:223065,N#CC1(c2ccc(-c3ccc(C4(N5CCC(=O)CC5)CC4)cc3-c3ccc(N4CCNCC4)cc3F)cc2)CC1,ZFGHGQVWGXFOBJ-UHFFFAOYSA-N
-rxn:5:193866:227045:225440,CC(C)(C)Sc1cccc(-c2ccc(C3(N4CCC(=O)CC4)CC3)cc2-c2ccc(C3(C#N)CCCC3)cc2)c1,JPCSOWFYEPDVFD-UHFFFAOYSA-N
-rxn:5:193867:226144:228182,C[Si](C)(C)C#Cc1ccc(-c2cc(-c3cccc(CC(F)F)c3)cc(C3(N4CCC(=O)CC4)CC3)c2)cc1,CPGHIGSQRHGALG-UHFFFAOYSA-N
-rxn:5:193867:227047:227561,COc1cc(F)c(-c2cc(-c3cccc(SC4CCC4)c3)cc(C3(N4CCC(=O)CC4)CC3)c2)cc1OC,BXMFYDGGEHFTGO-UHFFFAOYSA-N
-rxn:5:193867:227052:227371,COc1c(C)ccc(-c2cc(-c3ccc(SC(C)(C)C)cc3)cc(C3(N4CCC(=O)CC4)CC3)c2)c1OC,SFMQJTWCZLUNOU-UHFFFAOYSA-N
-rxn:5:193869:227718:227052,Cc1cc(-c2ccc(OC(F)F)cc2F)c(S(=O)(=O)N2CCCCC2)cc1-c1ccc(SC(C)(C)C)cc1,YTWRJKFXIOPPNF-UHFFFAOYSA-N
-rxn:5:193870:226748:225929,COc1cc(C(F)(F)F)ccc1-c1cc(-c2ccc(S(=O)(=O)N(C)C)c(C)c2)c(S(=O)(=O)N2CCCCC2)cc1C,BRCDATIHVHTMRM-UHFFFAOYSA-N
-rxn:5:193870:227959:226794,Cc1cnc(C2CC2)c(-c2cc(-c3cnc(N4CCSCC4)nc3)c(S(=O)(=O)N3CCCCC3)cc2C)c1,LFAZOONIXAQAQX-UHFFFAOYSA-N
-rxn:5:193871:223286:227076,CCC(C)c1ccc(F)c(-c2ccc(C(=O)N3CCC4(CC3)CC4)cc2-c2cccc(NS(C)(=O)=O)c2)c1,XBVMMSMSXLHQFY-UHFFFAOYSA-N
-rxn:5:193871:225706:225813,Cc1c(-c2ccc(C(=O)N3CCC4(CC3)CC4)cc2-c2cc3ncn(C(C)C)c3cc2F)cc(F)c(OC(C)C)c1F,XZQKGGSJXKWJHW-UHFFFAOYSA-N
-rxn:5:193872:226155:225886,CC(=O)c1cc(-c2ccc(C(=O)N3CCC4(CC3)CC4)cc2-c2ccc3c(ccn3S(C)(=O)=O)c2)cc(C2CC2)c1,VGNIRHRYINEOAR-UHFFFAOYSA-N
-rxn:5:193892:226332:226325,CC(C)(C#N)c1ccc(-c2ccc(C3SCC(=O)N(c4ccc(-c5ccccc5C(=O)N5CCC5)cc4)C3=O)cc2)c(F)c1,ZGAVHJSQQYDKMW-UHFFFAOYSA-N
-rxn:5:193967:226461:222991,CC(=O)n1ccc2c(-c3ccc(CN4CCC5(CC4)OCCO5)c(-c4ccc(N5CCCC(O)C5)cc4)c3)cncc21,DGHZIVWWVGQISH-UHFFFAOYSA-N
-rxn:5:193972:222420:223138,Cc1cc(-c2ccccc2S(N)(=O)=O)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccnc(C2CCNCC2)c1,VIOSUSOYGCAQBI-UHFFFAOYSA-N
-rxn:5:193972:226974:227589,Cc1cc(OC(F)F)cc(-c2cc(S(=O)(=O)N3CCCCCC3)c(-c3ccc4c(c3)COC4(C)C)cc2C)c1,HSGHRWAWDGRFEC-UHFFFAOYSA-N
-rxn:5:194058:222958:225805,Cc1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2ccc(C(C)N3CCOCC3)s2)cc1C1CCNCC1,RZXUMDVTEVJSDY-UHFFFAOYSA-M
-rxn:5:194058:223054:226571,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2cnn(CC3CCOCC3)c2)s1)N1CCC(O)C1,RYBTVNXFTZDMKE-UHFFFAOYSA-M
-rxn:5:194058:225607:223061,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2cc(C3CCNCC3)ncc2F)s1)N1CCCCC1,SQRSGDJWSFKHPQ-UHFFFAOYSA-M
-rxn:5:194058:225832:223002,Cc1nn(C2CCCCO2)c(C)c1-c1cc2c(OS(=O)(=O)[O-])c[nH]c2cc1-c1ccc(C2CCNCC2)cc1F,KRFZFBJZHSUFMV-UHFFFAOYSA-M
-rxn:5:194733:225888:228492,Cc1nc2cc(-c3ccc(-c4c(F)cc(F)c(F)c4F)c(C(=O)N4C5CCC4CC(=C4CC4)C5)c3)c(F)c(F)c2n1C,IFWOIUZQOUUSBG-UHFFFAOYSA-N
-rxn:5:194733:227356:226334,CCOc1cc(F)c(C)cc1-c1ccc(-c2cc(C)cc(C(=O)N(C)C)c2)c(C(=O)N2C3CCC2CC(=C2CC2)C3)c1,BBIJLQZKKPXIEP-UHFFFAOYSA-N
-rxn:5:194767:223141:227297,CN(C)Cc1ccc(F)c(-c2ccc(-c3cncc(C4CCNCC4)c3)cc2C(=O)N2CCCC3(C2)OC(=O)c2ccccc23)c1,HDCKSBXMOYRXNP-UHFFFAOYSA-N
-rxn:5:194767:226794:227376,O=C1OC2(CCCN(C(=O)c3cc(-c4cnc(N5CCSCC5)nc4)ccc3-c3cncc(N4CCCC4)c3)C2)c2ccccc21,QVMRMBFPDGKDGI-UHFFFAOYSA-N
-rxn:5:194767:227125:227506,O=C1OC2(CCCN(C(=O)c3cc(-c4ccccc4C4CCOC4)ccc3-c3cccc(/C=C/[N+](=O)[O-])c3)C2)c2ccccc21,YTHJCLDPGVFKEJ-XDJHFCHBSA-N
-rxn:5:194767:227316:223006,CC(C)Cc1cc(-c2ccc(-c3ccc(F)c(C4CCNCC4)c3)c(C(=O)N3CCCC4(C3)OC(=O)c3ccccc34)c2)cc(F)n1,OGSHXAXTAFNSDQ-UHFFFAOYSA-N
-rxn:5:194782:225625:228931,COc1nc(F)ccc1-c1ccc(-c2cc(OC3CCCC3)ccc2F)cc1C(=O)N1CCC2(CC1)CC(=O)c1ccccc1O2,BTPRQZKGUPLWFC-UHFFFAOYSA-N
-rxn:5:194782:227199:226325,CN1C(=O)Cc2ccc(-c3ccc(-c4ccc(C(C)(C)C#N)cc4F)c(C(=O)N4CCC5(CC4)CC(=O)c4ccccc4O5)c3)cc21,NQHYQJRSHFMJEQ-UHFFFAOYSA-N
-rxn:5:194792:226415:226445,Cc1nc(-c2ccsc2)ccc1-c1ccc(N2C(=O)C3C(c4ccc(-c5ccccc5N5CCOCC5)cc4)OC4(C(=O)c5ccccc5C4=O)C3C2=O)cc1,MEVIDLNRIPSTDG-UHFFFAOYSA-N
-rxn:5:194792:228727:227912,COc1ncc(C)cc1-c1ccc(C2OC3(C(=O)c4ccccc4C3=O)C3C(=O)N(c4ccc(-c5ccc(C(C)OC)cc5)cc4)C(=O)C23)cc1,PZYCPFZVZLDBJY-UHFFFAOYSA-N
-rxn:5:196408:222957:226652,Cc1cc(-c2cc(-c3cc(C)nn3C3CCCCO3)ccc2C2=NOCCO2)cc(C2CCCNC2)c1,QXWJALHEPWKALP-UHFFFAOYSA-N
-rxn:5:196408:222960:225683,Cc1cc(-c2cc(-c3ccc(C4CCCOC4)nc3C)ccc2C2=NOCCO2)cc(C2CCNCC2)c1,RKWIMXZDOAJUNO-UHFFFAOYSA-N
-rxn:5:196408:225654:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(C2=NOCCO2)c(-c2ccc(N3CCCC(C)C3)nc2)c1,BAHPFOQBAOXMFE-UHFFFAOYSA-N
-rxn:5:196408:225832:222996,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2ccc(F)cc2C2CCCNC2)ccc1C1=NOCCO1,UCIDVUQLWRTQDT-UHFFFAOYSA-N
-rxn:5:196789:223061:226583,O=C1COCCN1c1ccc(-c2cc(C3CCNCC3)ncc2F)cc1-c1ccc(CN2CCOCC2)s1,LTOMNDVNQMXEAJ-UHFFFAOYSA-N
-rxn:5:196789:225834:223065,O=C1COCCN1c1ccc(-c2cc(N3CCCCC3)ncc2F)cc1-c1ccc(N2CCNCC2)cc1F,KEEKOXJLDNPREC-UHFFFAOYSA-N
-rxn:5:196789:225978:226583,O=C1COCCN1c1ccc(-c2ccc(N3CCOCC3)nc2F)cc1-c1ccc(CN2CCOCC2)s1,JGHZVCWEEOPXKV-UHFFFAOYSA-N
-rxn:5:196791:225976:226583,O=C1COCCN1c1cccc(-c2ccnc(N3CCOCC3)c2F)c1-c1ccc(CN2CCOCC2)s1,ALDZBOLIXIIHTN-UHFFFAOYSA-N
-rxn:5:196792:223286:225805,CC(c1ccc(-c2ccc(-c3cccc(NS(C)(=O)=O)c3)c(N3CCOCC3=O)c2)s1)N1CCOCC1,GHMGVQYFLWUHDZ-UHFFFAOYSA-N
-rxn:5:196794:223065:226571,O=C1COCCN1c1cc(-c2ccc(N3CCNCC3)cc2F)ccc1-c1cnn(CC2CCOCC2)c1,CQNFYTZWTCWHFG-UHFFFAOYSA-N
-rxn:5:196858:223064:223006,Fc1ccc(-c2cc(C3CCOCC3)ncc2-c2ccc(C3CCNCC3)nc2F)cc1C1CCNCC1,VKZLBYRRXALQOP-UHFFFAOYSA-N
-rxn:5:196859:223064:223063,Fc1cc(-c2nccc(C3CCOCC3)c2-c2ccc(C3CCNCC3)nc2F)cc(C2CCNCC2)n1,GKSPUZNOSJSOPI-UHFFFAOYSA-N
-rxn:5:196869:225832:223134,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(N2CCOCC2)c(-c2cnccc2C2CCCNC2)c1,KYNNFGSDGHYEAN-UHFFFAOYSA-N
-rxn:5:196970:226686:222996,Cc1cnn(C2CCCCO2)c1-c1c(C2CCCCC2)ccnc1-c1ccc(F)cc1C1CCCNC1,MLAAHJMRQFSRIN-UHFFFAOYSA-N
-rxn:5:196971:225470:225407,CC1CCN(c2ccc(-c3cc(-c4ccc(C5CCCCCC5)cc4)c(C4CCCCC4)cn3)cc2)CC1,NAZJOFKGWRHLGF-UHFFFAOYSA-N
-rxn:5:196971:225653:225657,Cc1cc(-c2cc(-c3ccc(N4CCCCC4C)nc3)ncc2C2CCCCC2)ccc1N1CCOCC1,QHPKGPYBUATQLU-UHFFFAOYSA-N
-rxn:5:196971:226186:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2ccccc2C2CCOCC2)ncc1C1CCCCC1,HXSKYKBWKLBBLB-UHFFFAOYSA-N
-rxn:5:196979:225832:223135,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2cccnc2C2CCCNC2)cc(N2CCCCC2)c1,UTKJPLPNDJUZIX-UHFFFAOYSA-N
-rxn:5:197876:223286:227052,CC(C)(C)Sc1ccc(-c2cc3c(cc2-c2cccc(NS(C)(=O)=O)c2)S(=O)(=O)N(C(C)(C)C)C3=O)cc1,OBNSLRHTUMIMIT-UHFFFAOYSA-N
-rxn:5:197876:225455:227926,Cc1ccc(N2CCCCC2)cc1-c1cc2c(cc1-c1ccc(SC(C)C)cc1)C(=O)N(C(C)(C)C)S2(=O)=O,VDIBWTBTORAHJV-UHFFFAOYSA-N
-rxn:5:197876:225498:226062,CC(C)c1cc(-c2cc3c(cc2-c2cc(C4CCCCC4)ccc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc(C(C)C)c1,YZHRKFGNXFMQTC-UHFFFAOYSA-N
-rxn:5:197876:225498:227912,COC(C)c1ccc(-c2cc3c(cc2-c2cc(C4CCCCC4)ccc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1,ZBHQHLVXIUPVSF-UHFFFAOYSA-N
-rxn:5:197876:225499:227589,Cc1cc(OC(F)F)cc(-c2cc3c(cc2-c2ccc(C4CCCCC4)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,LFNVCDXHZWGJPM-UHFFFAOYSA-N
-rxn:5:197876:225499:227922,CCc1cc(OC)ccc1-c1cc2c(cc1-c1ccc(C3CCCCC3)cc1F)S(=O)(=O)N(C(C)(C)C)C2=O,HONZYYNUSUAKKD-UHFFFAOYSA-N
-rxn:5:197876:225679:228615,CSc1ccc(C)cc1-c1cc2c(cc1-c1ccc(N3CCCCC3)cc1F)S(=O)(=O)N(C(C)(C)C)C2=O,XPCAYHIIPVZNEU-UHFFFAOYSA-N
-rxn:5:197876:226062:227808,CC(C)c1cc(-c2cc3c(cc2-c2ccc4c(c2)CCCC4)C(=O)N(C(C)(C)C)S3(=O)=O)cc(C(C)C)c1,IFOCJJSUZPORNS-UHFFFAOYSA-N
-rxn:5:197876:226069:227108,CC(C)(C)N1C(=O)c2cc(-c3cc(C4CCC4)ccc3F)c(-c3cccc(C4CCCCC4)c3)cc2S1(=O)=O,GQBSKXYHNDBTRB-UHFFFAOYSA-N
-rxn:5:197876:226589:228623,CC(C)c1cnc(C(F)F)cc1-c1cc2c(cc1-c1sccc1C1CCC1)C(=O)N(C(C)(C)C)S2(=O)=O,KYUFMUQBGBLTLR-UHFFFAOYSA-N
-rxn:5:197876:226762:228464,CSc1cc(-c2cc3c(cc2-c2cncc(OC(F)F)c2)C(=O)N(C(C)(C)C)S3(=O)=O)cc(C(F)(F)F)c1,TYVJBSUBARTPCW-UHFFFAOYSA-N
-rxn:5:197876:226920:225407,Cc1ccc(C(C)(C)C)cc1-c1cc2c(cc1-c1ccc(C3CCCCCC3)cc1)C(=O)N(C(C)(C)C)S2(=O)=O,XFNIHQOTSCTMON-UHFFFAOYSA-N
-rxn:5:197876:227045:226190,CC(C)(C)Sc1cccc(-c2cc3c(cc2-c2ccc(C4CCCC4)cc2F)C(=O)N(C(C)(C)C)S3(=O)=O)c1,MCUKXSCCWBAYIB-UHFFFAOYSA-N
-rxn:5:197876:227089:227713,CC(C)(C)N1C(=O)c2cc(-c3cc(F)ccc3OC(F)F)c(-c3ccncc3C3CCCC3)cc2S1(=O)=O,GLJXYCAIOFCBPX-UHFFFAOYSA-N
-rxn:5:197876:227102:226420,CC(C)(C)c1ccc(F)c(-c2cc3c(cc2-c2ccc(F)c(N4CCCC4)c2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,NTWQNYZVLFMDNB-UHFFFAOYSA-N
-rxn:5:197876:227319:226914,Cc1cc(CC(C)C)ccc1-c1cc2c(cc1-c1cc(CC(C)C)ncc1F)S(=O)(=O)N(C(C)(C)C)C2=O,BTJOYAPUESGHTI-UHFFFAOYSA-N
-rxn:5:197876:227820:226174,CC(C)(C)c1ccc(-c2cc3c(cc2-c2ccc(C4CCCCC4)nc2)C(=O)N(C(C)(C)C)S3(=O)=O)cc1,JCKCHAQASZCENO-UHFFFAOYSA-N
-rxn:5:197876:227926:227119,CC(C)Sc1ccc(-c2cc3c(cc2-c2cc(C4CCCCC4)cs2)C(=O)N(C(C)(C)C)S3(=O)=O)cc1,PZJKBSRPINNISN-UHFFFAOYSA-N
-rxn:5:197876:228021:226179,CC(=O)c1cc(C)cc(-c2cc3c(cc2-c2cncc(C4CCCCC4)c2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,OVSMEUMZBAECAC-UHFFFAOYSA-N
-rxn:5:197876:228182:227119,CC(C)(C)N1C(=O)c2cc(-c3cc(C4CCCCC4)cs3)c(-c3cccc(CC(F)F)c3)cc2S1(=O)=O,JYJYLKXCAPNUQG-UHFFFAOYSA-N
-rxn:5:197876:228621:225436,CSc1cc(C)ccc1-c1cc2c(cc1-c1ccc(CN3CCCCC3)cc1)C(=O)N(C(C)(C)C)S2(=O)=O,NNGXUSFUJVHMRC-UHFFFAOYSA-N
-rxn:5:197876:228628:226589,CC(C)c1cnc(C(F)F)cc1-c1cc2c(cc1-c1cc(C3CCC3)cs1)S(=O)(=O)N(C(C)(C)C)C2=O,APDRXSKGWIVRKH-UHFFFAOYSA-N
-rxn:5:227045:190131:227065,COc1c(-c2cccc(SC(C)(C)C)c2)cc(C(=O)N2CCCCC2)cc1-c1cccc(C(=O)C(C)C)c1,ZVQPHCNPCRYCPL-UHFFFAOYSA-N
-rxn:5:227933:178295:227724,CCc1ccc(OC)cc1-c1ccc(-c2cc(OC(F)F)ccc2F)cc1C1(C(=O)OC)CCC(=O)CC1,NWSHAWVTLXRPSK-UHFFFAOYSA-N
-rxn:5:227989:178295:227696,CC#Cc1ccc(F)c(-c2ccc(-c3ccc(C(=O)OC)nc3F)cc2C2(C(=O)OC)CCC(=O)CC2)c1,PBMQROWCDLXZGI-UHFFFAOYSA-N
-rxn:4:173281:224885,CC1CCN(Cc2ccccc2-c2ccc(OC(F)(F)F)cc2OCC(F)(F)C(F)(F)F)CC1,NCMROHSFFFVBTQ-UHFFFAOYSA-N
-rxn:4:173286:223970,COCCOc1cc(OC(F)(F)F)ccc1-c1ccc(C)c(S(=O)(=O)N2CCC(C)CC2)c1,OMMLPSXEAXPFSU-UHFFFAOYSA-N
-rxn:4:173308:223845,COC(=O)c1ccc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCN(C)CC2)c(OCCC(F)(F)F)c1,PRFBJHKPURMQRC-UHFFFAOYSA-N
-rxn:4:173338:222680,COC(=O)C(C(=O)OC)C(=O)c1ccc(-c2cccc(NC(=O)OC(C)(C)C)c2OC)cc1,JKZBQDWECBZLPH-UHFFFAOYSA-N
-rxn:4:173338:222790,COC(=O)C(C(=O)OC)C(=O)c1ccc(-c2cc(Cl)cc(NC(=O)OC(C)(C)C)c2)cc1,NDCHSFSBEYFSBU-UHFFFAOYSA-N
-rxn:4:173338:223768,COC(=O)C(C(=O)OC)C(=O)c1ccc(-c2cn(C(=O)OC(C)(C)C)c3cc(C#N)ccc23)cc1,QUCCSZIOBPNQOS-UHFFFAOYSA-N
-rxn:4:173370:224731,CC(C)(C)COS(=O)(=O)c1cccc(-c2ccc(OCC3CC3)c(OCC(F)(F)F)c2)c1,VYGASVAWEMENJK-UHFFFAOYSA-N
-rxn:4:173404:225277,CCS(=O)(=O)Cc1ccc(OCC(F)(F)F)c(-c2cc(OC)c(C(=O)OC)c(OC)c2)c1,RARSPNSOYFWEBR-UHFFFAOYSA-N
-rxn:4:173445:223943,Cc1cc2c(cnn2C2CCCCO2)c(-c2cc(C(=O)OC(C)(C)C)ccc2OCC(F)F)c1Cl,AEUIBNSODKSMRL-UHFFFAOYSA-N
-rxn:4:173451:225201,CC(C)(C)OC(=O)c1cc(OCC(F)(F)F)ccc1-c1ccc(OC2CCCC2)c(F)c1F,STPWBBNSLOVYQX-UHFFFAOYSA-N
-rxn:4:173533:222912,CC(C)CNS(=O)(=O)c1ccc(-c2ccc(OCC(C)C)cc2C(=O)OC(C)(C)C)cc1,RLEHPWPUOYOXPJ-UHFFFAOYSA-N
-rxn:4:173572:222919,CC(C)(C)NS(=O)(=O)c1ccc(-c2cc(COC(C)(C)C)cc(COC(C)(C)C)c2)cc1,LQQJELVCVHEZAW-UHFFFAOYSA-N
-rxn:4:173596:225390,COc1ccc(OC)c(-c2c(C(C)C)cc(C(C)C)cc2C(C)C)c1-c1cc(CC(C)C)cc(C2CC2)c1,BATQORIQTQYRDS-UHFFFAOYSA-N
-rxn:4:173611:223903,CCOC(=O)COc1ccc2c(c1)OC(=Cc1ccc(-c3ccccc3CCC(=O)N3CCC(=O)CC3)cc1)C2=O,VTJRMGSTBCZMKF-UHFFFAOYSA-N
-rxn:4:173675:224719,Cc1oc2cc(-c3cn(C(=O)OC(C)(C)C)nc3C(C)C)c(OC(=O)C(C)(C)C)cc2c1C(=O)OC(C)C,DQSGQTHESKYRPU-UHFFFAOYSA-N
-rxn:4:173704:222783,COc1cccc2c(-c3ccc(Cl)c(NC(=O)OC(C)(C)C)c3)ccc(O[Si](C(C)C)(C(C)C)C(C)C)c12,CLYAWVORGNQUKD-UHFFFAOYSA-N
-rxn:4:173729:223525,C#Cc1cccc(OCCOC)c1-c1cccc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1,UQFMWOWYUFOMKH-UHFFFAOYSA-N
-rxn:4:173797:224681,COC(=O)c1c(F)cc(-c2ccc(C(=O)N3CCCCC3)c(F)c2)cc1OCC(F)(F)F,NHPLZPSJMFRMHK-UHFFFAOYSA-N
-rxn:4:173802:222858,CN(C)CCNC(=O)c1cccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)c1,GPMFKLWEQZBAME-UHFFFAOYSA-N
-rxn:4:173802:223817,O=C1c2ccccc2C(=O)N1CCn1cc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)cn1,CIQMFQJRUUAIGH-UHFFFAOYSA-N
-rxn:4:173802:224325,CS(=O)(=O)N1CC=C(c2ccc(-c3ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc3)cc2)CC1,KTVMQQXXCCLJBT-UHFFFAOYSA-N
-rxn:4:173802:225523,CCOC(=O)CCc1cccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)c1,VVSVZFXXUGTOPC-UHFFFAOYSA-N
-rxn:4:173802:225808,O=S(=O)(OC(c1ccc(-c2cc(OC3CCCC3)ncc2F)cc1)C(F)(F)F)C(F)(F)F,FBVJAKVEZUMIKP-UHFFFAOYSA-N
-rxn:4:173811:224964,FC(F)(F)c1cc(-c2ccc(COC3CCOCC3)cc2)ccc1OC(C(F)(F)F)C(F)(F)F,FNZZADIHQKCLES-UHFFFAOYSA-N
-rxn:4:173839:223823,COC(=O)CC(=O)Cc1ccc(-c2cnn(C3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1,KHKYCMNIUUHRBH-UHFFFAOYSA-N
-rxn:4:173872:222447,COc1ccc(-c2c(OC)ccc3c2N=C(NC(=O)OC(C)(C)C)C3)cc1OCC(F)(F)C(F)F,RSGUHHBBNVRMQN-UHFFFAOYSA-N
-rxn:4:173872:224394,COc1ccc(-c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)cc1OCC(F)(F)C(F)F,AOVVYCJCBSOIFO-UHFFFAOYSA-N
-rxn:4:173881:223594,CC(=O)CCCSc1ccccc1-c1cc(Cl)cc(N2CCN(C(=O)OC(C)(C)C)CC2)c1,SORMMIBORDJNPZ-UHFFFAOYSA-N
-rxn:4:173953:223529,CCCCCOc1ccc(F)cc1-c1ccc(CN2CCN(C(=O)OC(C)(C)C)CC2)c(F)c1,ZKXGVSBVMUZFFY-UHFFFAOYSA-N
-rxn:4:174009:223583,COC(=O)c1ccc2c(-c3ccc(C(=O)C(C(C)=O)C(=O)OC)cc3)cn(C(=O)OC(C)(C)C)c2c1,JJWYYKRYEOXKLH-UHFFFAOYSA-N
-rxn:4:174009:223686,COC(=O)C(C(C)=O)C(=O)c1ccc(-c2ccc(O[Si](C)(C)C(C)(C)C)c(OC(F)(F)F)c2)cc1,UTFNMQHDINNOLS-UHFFFAOYSA-N
-rxn:4:174016:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3cc(CS(C)(=O)=O)ccc3OCC(F)(F)F)c2)CC1,UUZZJVYRSKTKHM-UHFFFAOYSA-N
-rxn:4:174257:224258,COC(=O)c1ccc(OCC2CCCO2)c(-c2ccc(C(=O)N3CCCCC3C)cc2Cl)c1,YSJPUYPKRTVZDM-UHFFFAOYSA-N
-rxn:4:174407:224882,COC(=O)C1(c2cccc(-c3ccc(CN4CCCCCC4)cc3)c2)CC(OC)(OC)C1,OGVULLLEOKORGT-UHFFFAOYSA-N
-rxn:4:174441:222600,Cc1ccc(-c2ccc3nc(NC(=O)OC(C)(C)C)sc3c2)c(OC2(C(=O)OC(C)(C)C)CC2)c1,RYMCRWNBKSKKLT-UHFFFAOYSA-N
-rxn:4:174485:224426,COc1cc(CO[Si](C)(C)C(C)(C)C)ccc1-c1cc(C2CCCCC2)cc(C2CC2)c1,MOFOAFXUAFCSGU-UHFFFAOYSA-N
-rxn:4:174492:223607,CC(F)(F)c1ccc(-c2cc(-c3cccc(C(F)(F)F)n3)nc(C(F)(F)F)c2)cc1OCCC1CCCCC1,ICLQRWADMACLQD-UHFFFAOYSA-N
-rxn:4:174499:224060,COc1ccc(-c2cc(C(=O)OC(C)(C)C)cc(-c3cc(C(C)(C)C)c(OC)c(C(C)(C)C)c3)c2)c(F)c1,HCDPGKZYVHJVKY-UHFFFAOYSA-N
-rxn:4:174515:223885,CC(C)[Si](Oc1ccc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3)cc1)(C(C)C)C(C)C,RTNAXNUVZYLSAX-UHFFFAOYSA-N
-rxn:4:174522:225279,Cc1nn(C(=O)OC(C)(C)C)c(C)c1-c1ccc(C#C[Si](C(C)C)(C(C)C)C(C)C)cc1,OWKWJMFNDJPPCW-UHFFFAOYSA-N
-rxn:4:174540:223694,CCN1CCN(S(=O)(=O)c2cc(-c3cccc(OCC45CC(C(=O)OC)(C4)C5)c3)c(F)cc2C)CC1,IDLGGASYXLWQIN-UHFFFAOYSA-N
-rxn:4:174565:225178,COC(=O)C12CC(COc3cc(-c4ccc(CN5CCOCC5)cc4F)ccc3C)(C1)C2,KBJGNMBNZDLWKZ-UHFFFAOYSA-N
-rxn:4:174568:222701,COC(=O)c1c(C)oc2cc(-c3cc(C4CCCNC4)cc(C(F)(F)F)c3)c(OC(=O)C(C)C)cc12,AHDLKHKTYOUUDD-UHFFFAOYSA-N
-rxn:4:174647:224539,COC(=O)C1=C(C(=O)OC)C2(OC1c1ccc(-c3ccc(OCc4cccc(F)c4)cc3)cc1)C(=O)c1ccccc1C2=O,YJJPRMIEDYDDIU-UHFFFAOYSA-N
-rxn:4:174757:224891,FC(F)(F)c1cc(OC(F)(F)C(F)(F)F)cc(-c2cc(N3CCCC3)ccc2C2CC2)c1,ZOIWMVJDXKSCEK-UHFFFAOYSA-N
-rxn:4:174915:223482,CCC(=O)c1ccc(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)cc1OC(F)(F)F,SMMVCAZRBZYFBS-UHFFFAOYSA-N
-rxn:4:175061:223785,CCOc1cc(-c2ccc(OCCN3CCN(CC)CC3)c(Cl)c2)cc(F)c1C(=O)OC,HPBIKLHHYJIKOV-UHFFFAOYSA-N
-rxn:4:175095:223638,Cc1ccc(-c2cccc(C3CCCN(C(=O)OC(C)(C)C)C3)c2)cc1OCC(F)(F)C(F)(F)F,NRRILMKHBIXEBK-UHFFFAOYSA-N
-rxn:4:175106:223598,CCCOc1c(OC)cccc1-c1ccc(OCCN2CCC3(CC2)OCCO3)c(F)c1,QQIQQFLELFLUAH-UHFFFAOYSA-N
-rxn:4:175700:223976,CC(C)(C)COS(=O)(=O)c1ccc(-c2cc(OC3CCCC3)cc(OC(F)(F)F)c2)cc1,ZMLVKHBJKTVNDK-UHFFFAOYSA-N
-rxn:4:175718:222602,CC(C)Cc1cc(-c2ccc(OCC(F)F)c(C(C)(C)C)c2)c(S(=O)(=O)NC(C)(C)C)s1,UHJAWIZXBUCCDX-UHFFFAOYSA-N
-rxn:4:175729:224194,CCN1CCN(Cc2ccc(-c3ccc(OCCC4OCCCO4)c(F)c3)cc2Cl)CC1,WBFUONBJCODZAJ-UHFFFAOYSA-N
-rxn:4:175919:222461,CC(C)(C)OC(=O)Nc1nc2c(-c3cc(OCC4CCOCC4)cc(C(F)(F)F)c3)c(F)cc(F)c2s1,SZMHNBWKIBBANL-UHFFFAOYSA-N
-rxn:4:175967:222522,COC(=O)c1cc(-c2cccc(S(C)(=O)=O)c2)ccc1-c1ccc(OC)c(S(=O)(=O)N2CCC(O)CC2)c1,HQSUOHYRFLXENJ-UHFFFAOYSA-N
-rxn:4:176124:222774,O=C(Oc1ccccc1-c1ccc(F)c(CN2CCC(O)CC2)c1)C1=C(c2ccccc2)S(=O)(=O)CCO1,KPMYPBWSCKUSQN-UHFFFAOYSA-N
-rxn:4:176131:224132,CN(C(=O)c1ccccc1-c1cc(SC(C)(C)C)cc(SC(C)(C)C)c1)C1CCCCC1,KRGUHQAHLJACSI-UHFFFAOYSA-N
-rxn:4:176131:224351,CC(C)(C)Sc1cc(SC(C)(C)C)cc(-c2ccc(C3CCCCO3)c(C(F)(F)F)c2)c1,WAOOHXLUSLQYJW-UHFFFAOYSA-N
-rxn:4:176313:224883,CC1Oc2ccccc2C=C1C=C1Oc2cc(OCc3ccc(-c4ccc(C(C)N5CCCCC5)cc4)cc3)ccc2C1=O,MTRUQFFWGVSQKF-UHFFFAOYSA-N
-rxn:4:177104:223559,COC(=O)Cc1ccc(C)c(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)c1,FOTDKNSKOKKCAY-UHFFFAOYSA-N
-rxn:4:177403:223840,COc1ccc(-c2cc(OC(F)(F)F)cc(C3OCCO3)c2)cc1S(=O)(=O)N1CCN(C)CC1,XUEXXPJDHRLZGN-UHFFFAOYSA-N
-rxn:4:177456:223506,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cccc(-c3cc(F)cc(OCC4CCC4)c3)c2)CC1,FXCWGYFEZGIRMM-UHFFFAOYSA-N
-rxn:4:177460:223636,CSc1c(-c2ccc(C3CCCN(C(=O)OC(C)(C)C)C3)cc2)ccc(OC(C)C)c1F,QMDZBGMMOZJTMR-UHFFFAOYSA-N
-rxn:4:177846:223748,CC(C)Oc1ccc(-c2cc(N3CCCCC3)cc(N3CCCCC3)c2)cc1C(C)(F)F,ORKNPUPOIFJHKZ-UHFFFAOYSA-N
-rxn:4:177976:223712,COc1ccc(-c2cc(F)cc(OCC3CCCC3)c2)cc1C12CC3CC(CC(C3)C1)C2,UXTGUGZKQPPTFO-UHFFFAOYSA-N
-rxn:4:178124:223960,CCN1CCN(C(=O)c2cc(-c3ccc(OC)c(OC4CCCC4)c3F)ccc2F)CC1,TWDGGQAJSMPEFO-UHFFFAOYSA-N
-rxn:4:178366:223559,COc1ccc(-c2cc(-c3ccc4c(c3)C(C)=CC(C)(C)N4C(=O)OC(C)(C)C)cc(C(C)(C)C)c2)cc1,KROXGGTXKDQZEO-UHFFFAOYSA-N
-rxn:4:178370:224059,COc1c(-c2cc(C(C)(C)C)c(OC)c(C(C)(C)C)c2)cc(C(C)(C)C)cc1C(C)(C)C,NIVFFCCPUSYCJQ-UHFFFAOYSA-N
-rxn:4:178381:222877,CC(C)(C)NC(=O)c1ccc(-c2c(C(C)(C)C)cc(C(C)(C)C)cc2C(C)(C)C)cc1Cl,VVGBFXFFBMOPBP-UHFFFAOYSA-N
-rxn:4:178381:225272,CCOC(=O)C(F)(F)c1ccc(-c2c(C(C)(C)C)cc(C(C)(C)C)cc2C(C)(C)C)cc1,QGOKQKXLCTULQR-UHFFFAOYSA-N
-rxn:4:178382:224970,CC(C)(C)c1cc(-c2ccc(S[Si](C)(C)C(C)(C)C)cc2)cc(C(C)(C)C)c1C(C)(C)C,BXKCLUBPNGOGMJ-UHFFFAOYSA-N
-rxn:4:178384:224862,CC(C)Oc1ccc2ccccc2c1-c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1,BMPHDHOCXSNYEF-UHFFFAOYSA-N
-rxn:4:178384:227678,CCn1nnc2cc(-c3c(C4CCCCC4)cc(C4CCCCC4)cc3C3CCCCC3)cnc21,IHMGESQEAXETKA-UHFFFAOYSA-N
-rxn:4:178384:228179,COCc1cc(F)cc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c1,DCYFRNNOZARUFV-UHFFFAOYSA-N
-rxn:4:178514:223528,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3ccc(C(=O)CC4OC(=O)c5ccccc54)cc3)ccc2F)CC1,PABZOEXYYSXLOK-UHFFFAOYSA-N
-rxn:4:178594:222857,COc1cc(-c2cc(Cl)c(OCC34CC5CC(CC(C5)C3)C4)cc2F)cc(C2CCNCC2)c1,ZYBOIXYMYTUZJL-UHFFFAOYSA-N
-rxn:4:178597:224999,CC(c1ccc(-c2ccc(OC(=O)C3OC4OC(C)(C)OC4C4OC(C)(C)OC34)cc2)cc1)N1CCOCC1,ZIWHSXJWBSYBGS-UHFFFAOYSA-N
-rxn:4:178597:229031,Cc1ccc(-c2ccc(OC(=O)C3OC4OC(C)(C)OC4C4OC(C)(C)OC34)cc2)c(F)c1,IEFXFNXFRHTTMA-UHFFFAOYSA-N
-rxn:4:178598:224593,COc1cc2c(cc1OC)C1CCCCC1OC2c1cccc(-c2ccc(F)c(CN3CCC(C)CC3)c2)c1,PSRBAADASQZHDZ-UHFFFAOYSA-N
-rxn:4:178895:223575,CC(C)(C)OC(=O)N1CCN(Cc2ccccc2-c2ccc(F)cc2CC(F)(F)F)CC1,ITBLLZOIAUIILW-UHFFFAOYSA-N
-rxn:4:179806:223608,CC(c1ccc(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCOCC3)c2)cc1)S(C)(=O)=O,GIDVAPPYSXVWCN-UHFFFAOYSA-N
-rxn:4:179988:223492,Cc1cc(-c2ccc(OC(C)(C)C)c(F)c2)ccc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,NEDJBLHFOJAKIK-UHFFFAOYSA-N
-rxn:4:180027:223812,COc1c(-c2cc(F)cc(CN3CCC4(CC3)OCCO4)c2)cc(F)cc1C1OCCO1,JNYOJSDAHLDJPE-UHFFFAOYSA-N
-rxn:4:180352:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1ccc(OC2CCS(=O)(=O)CC2)cc1,FRDVHKWKJKUFRP-UHFFFAOYSA-N
-rxn:4:180352:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(OC2CCS(=O)(=O)CC2)cc1,YKXMNCRZPATYLH-UHFFFAOYSA-N
-rxn:4:180485:223557,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3cc(C4CCOCC4)cc(C4CC4)c3)c(F)ccc21,QNHJKKPUANUXLK-UHFFFAOYSA-N
-rxn:4:180490:223847,CCCCCC1CCC(c2ccc(-c3ccc(C4CCOCC4)c(C4CC4)c3)cc2)CC1,DNHOOXMABGVZGC-UHFFFAOYSA-N
-rxn:4:180502:222588,OC1CCN(CCOc2ccc(-c3cc(C4CC4)ccc3C3CCCCO3)cc2F)CC1,KYYUMQVULIFFNL-UHFFFAOYSA-N
-rxn:4:180528:224702,Cc1c(-c2ccc(OC3CCC4(CC3)OCCO4)cc2)cc(F)c(OC2CCCC2)c1F,SVNITCSONLNYTH-UHFFFAOYSA-N
-rxn:4:180691:223814,COc1cc(-c2ccc(CN3CCC4(CC3)OCCO4)cc2F)c2c(c1OC)C(=O)CC2,OLSLSHWBSJXANE-UHFFFAOYSA-N
-rxn:4:180792:225118,CCOC1CCC2(CC1)Cc1ccc(-c3ccc(OC(C)C)c(C(=O)OC)c3)cc1C2=O,UBBHLPWYTHCWCM-UHFFFAOYSA-N
-rxn:4:180815:225217,COc1ccc(-c2cnc(N3CCCC(C)C3)cc2F)cc1C12CC3CC(CC(C3)C1)C2,MMORFIWJYQYAMJ-UHFFFAOYSA-N
-rxn:4:180855:223957,CC(C)(C)c1ccc2c(c1)C1(c3ccccc3-c3ccc(-c4cc(F)c(CO[Si](C)(C)C(C)(C)C)c(F)c4)cc31)c1cc(C(C)(C)C)ccc1-2,IKIKNLXINVRCRJ-UHFFFAOYSA-N
-rxn:4:180977:223526,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3ccc(F)c(F)c3C(F)F)cc2)CC1,ACKVEYHLHRUESR-UHFFFAOYSA-N
-rxn:4:182322:223898,CSc1sc(-c2ccc(N(C(=O)OC(C)(C)C)C(C)C)cc2)c2c1C(=O)CC(C)(C)C2,VFXLRZHORKOQFH-UHFFFAOYSA-N
-rxn:4:182354:223951,COc1ccc(-c2ccc(OCCN3CCN(C)CC3)c(F)c2)c2c1OC1(CCCC1)C2,LUIJANOLMQNDNA-UHFFFAOYSA-N
-rxn:4:182372:223951,CO[C@H]1CC[C@]2(CC1)Cc1ccc(-c3ccc(OCCN4CCN(C)CC4)c(F)c3)cc1C2=O,RJISULHZMMPEDX-UEZMCPDZSA-N
-rxn:4:182372:224176,CO[C@H]1CC[C@]2(CC1)Cc1ccc(-c3ccc(OCCSC4CCOCC4)cc3)cc1C2=O,ZVYCMWIJEMJOBD-UEZMCPDZSA-N
-rxn:4:182376:222701,CO[C@H]1[C@H](C)C[C@@]2(Cc3ccc(-c4cc(C5CCCNC5)cc(C(F)(F)F)c4)cc3C2=O)C[C@@H]1C,XUNMRINTUQVDBJ-NJFFTKJRSA-N
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-rxn:4:183273:226692,Cc1noc(C)c1-c1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)s1,JSXYTHICAJCRGW-UHFFFAOYSA-N
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-rxn:4:183832:222581,CC(C)NS(=O)(=O)c1ccc(-c2c(F)cccc2CN(C(=O)OC(C)(C)C)C2CC2)c2ccccc12,MBABSDPPUKKAEX-UHFFFAOYSA-N
-rxn:4:183861:223506,COC(=O)CN1CCC(COc2cccc(-c3cccc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c3)c2)CC1,YQLVATOTZQSFRK-UHFFFAOYSA-N
-rxn:4:183870:223078,CCNS(=O)(=O)c1ccc(-c2ccc(OCC3CN(C(=O)OC(C)(C)C)C3)cc2)c(C)c1,GRXUGVBRILQEFH-UHFFFAOYSA-N
-rxn:4:183882:224820,CC(C)(C)OC(=O)N1CC(COc2ccc(F)c(-c3cccc(S(=O)(=O)N4CCOCC4)c3)c2)C1,ZXJDJVYHFUABJZ-UHFFFAOYSA-N
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-rxn:4:183894:225979,Fc1cccc(-c2cnc(N3CCOCC3)c(Cl)c2)c1OCCCN1CCC(C(F)(F)F)CC1,RNXUDGXYJRWBEG-UHFFFAOYSA-N
-rxn:4:183902:224817,COC1CCN(CCCOc2c(F)cccc2-c2ccccc2S(=O)(=O)N2CCOCC2)CC1,UAOAKMDYKBBTKM-UHFFFAOYSA-N
-rxn:4:183928:222837,CC(c1ccc(-c2cccc(CC(=O)NC(C)(C)C)c2)cc1)N(C(=O)OC(C)(C)C)C1CC1,UPRNGSSWZPNCQD-UHFFFAOYSA-N
-rxn:4:183969:227413,CCOC(=O)C1CCN(S(=O)(=O)c2ccc(-c3cnc(C4CCC4)cc3F)c(OC)c2)CC1,QKFDWGAENVIDQH-UHFFFAOYSA-N
-rxn:4:183983:225439,Cc1ccc(-c2cccc(C(C)N3CCCC3)c2)cc1CN(C(=O)OC(C)(C)C)C(C)C,KAVZIOVGWBQGLE-UHFFFAOYSA-N
-rxn:4:183986:224276,Cc1cc(-c2cn(C(=O)OC(C)(C)C)c3cccnc23)cc(CN(C(=O)OC(C)(C)C)C(C)C)c1F,ZOMAYWZBKWHXSQ-UHFFFAOYSA-N
-rxn:4:183989:225231,CC1CCCCN1c1cc(-c2cc(F)cc(F)c2CC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)cnc1Cl,SVMPOPXBNUEQTH-VXLWULRPSA-N
-rxn:4:183994:226559,CC(C)(C)OC(=O)c1csc(-c2ccc(CN(C(=O)OC(C)(C)C)C3CCCC3)cc2)c1,RPUFEDCNAULFCE-UHFFFAOYSA-N
-rxn:4:183995:226499,Cc1cc(CN(C(=O)OC(C)(C)C)C2CCC2)cc(-c2cccn2C(=O)OC(C)(C)C)c1,NUTIAJUZKGWZLM-UHFFFAOYSA-N
-rxn:4:184004:226313,CCOC(=O)c1cccc(-c2ccc(C=C3SC(=S)N(CCc4ccc(OC)c(OC)c4)C3=O)cc2)c1C,AZAINHGAKXSAHB-UHFFFAOYSA-N
-rxn:4:184006:225525,CCOC(=O)CCc1ccccc1-c1ccc(N(C(=O)c2ccc(OC)c(OC)c2)C2C=CS(=O)(=O)C2)cc1,VCOPZVBISJWLPG-UHFFFAOYSA-N
-rxn:4:184020:225202,Cc1cc(-c2cc(C3CCC3)cc(C(F)(F)F)c2)ccc1OC[C@@H]1CCCN1C(=O)OC(C)(C)C,NWLIJMCHTBZDGE-DEOSSOPVSA-N
-rxn:4:184049:223598,COc1ccc(-c2ccc(OCCN3CCC4(CC3)OCCO4)c(F)c2)c(C(=O)N2CCC(S(=O)(=O)Cc3ccco3)CC2)c1,NSSYZSXGOQXLGM-UHFFFAOYSA-N
-rxn:4:184061:223176,Cc1ccc(C(=O)C(C)OC(=O)C2CC(=O)N(c3ccc(-c4cccc(CNS(C)(=O)=O)c4)cc3)C2)cc1,TVSBSPBXAXOFOB-UHFFFAOYSA-N
-rxn:4:184065:226308,CCc1cc(-c2ccc(CN(C(=O)OC(C)(C)C)C3CCCCC3)cc2)ccc1C(=O)OC,CVPMFRPPVNGJRA-UHFFFAOYSA-N
-rxn:4:184073:227324,CC(C)Cc1cc(-c2cccc(S(=O)(=O)CC3CCCN(C(=O)OC(C)(C)C)C3)c2)cnc1Cl,OOLDZNYSBICHQJ-UHFFFAOYSA-N
-rxn:4:184096:227043,Cc1cc(OC(C)C)ccc1-c1ccc(CN(C(=O)OC(C)(C)C)C2CCC(C)(C)CC2)cc1,TWMWIEUXDKRMMM-UHFFFAOYSA-N
-rxn:4:184096:228021,CC(=O)c1cc(C)cc(-c2ccc(CN(C(=O)OC(C)(C)C)C3CCC(C)(C)CC3)cc2)c1,BXICJHQEBJTNQU-UHFFFAOYSA-N
-rxn:4:184099:223124,CC(C)NC(=O)c1cccc(-c2ccc(C(C)N(C(=O)OC(C)(C)C)C3CCC(C)(C)CC3)cc2)c1,PBKISLUAMZLCJC-UHFFFAOYSA-N
-rxn:4:184099:224463,CC(=O)c1ccc(-c2ccc(-c3ccc(C(C)N(C(=O)OC(C)(C)C)C4CCC(C)(C)CC4)cc3)cc2)cc1,RHLYXOHJWXZPCW-UHFFFAOYSA-N
-rxn:4:184099:226992,CCOC(C)c1ccc(-c2ccc(C(C)N(C(=O)OC(C)(C)C)C3CCC(C)(C)CC3)cc2)cc1,RSBWDIPONWOIJX-UHFFFAOYSA-N
-rxn:4:184099:227102,CC(c1ccc(-c2cc(C(C)(C)C)ccc2F)cc1)N(C(=O)OC(C)(C)C)C1CCC(C)(C)CC1,SGJKIWGXISAHTJ-UHFFFAOYSA-N
-rxn:4:184100:227029,Cc1cc(CN(C(=O)OC(C)(C)C)C2CCC(C)(C)CC2)cc(-c2ccccc2C(C)(C)C#N)c1,OLBMUZVXMHGLAC-UHFFFAOYSA-N
-rxn:4:184100:228988,Cc1cc(CN(C(=O)OC(C)(C)C)C2CCC(C)(C)CC2)cc(-c2ccc(C)c(C)c2)c1,FZHUYJLXBQLLAL-UHFFFAOYSA-N
-rxn:4:184110:223664,O=C(CN1C(=O)c2ccc(-c3ccc(COc4ccc(OC(F)(F)F)cc4)cc3)cc2C1=O)OCC(=O)c1ccc(Cl)cc1,QZBBPQQIQRWBEA-UHFFFAOYSA-N
-rxn:4:184111:224318,CN1CCN(C(=O)c2ccc(-c3ccc4oc(=O)c(C(=O)OCC(=O)c5ccc([N+](=O)[O-])cc5)cc4c3)cc2F)CC1,DZVIVPWFYVSQLN-UHFFFAOYSA-N
-rxn:4:184125:223885,CC(C)(C)OC(=O)N1CCc2ccc(-c3cc(OCCCN4C(=O)c5ccccc5C4=O)cc(C(F)(F)F)c3)cc2C1,RDWXBXAILQKDTK-UHFFFAOYSA-N
-rxn:4:184170:223728,CCCCCC1CCC(c2ccc(-c3cn(C(=O)OC(C)(C)C)c4ccc(OCc5ccccc5)cc34)c(F)c2)CC1,VAFYXDIXJXEELD-UHFFFAOYSA-N
-rxn:4:184183:224346,COc1ccc(-c2cccnc2-c2cccc(C(F)(F)F)c2)cc1CCC(=O)N1C2CCC1CC(SC)C2,WTTGELXYCNEWHE-UHFFFAOYSA-N
-rxn:4:184188:222912,CC(C)CNS(=O)(=O)c1ccc(-c2ccc(CN(C(=O)OC(C)(C)C)C3CCC3)c3ccccc23)cc1,PIPLGCYDCDTYIQ-UHFFFAOYSA-N
-rxn:4:184234:224415,CC(C)OCCCN1C(=O)c2oc3ccc(-c4ccnc(C(F)(F)C(F)(F)C(F)(F)F)c4)cc3c(=O)c2C1c1ccccc1,GLIKPIVMMKMFQU-UHFFFAOYSA-N
-rxn:4:184380:223916,COC(=O)Cc1ccc(C(F)F)c(C#N)c1-c1ccc(C(=O)N2CCN(C(C)C)CC2)cc1,KPAXFOZFZHRHFK-UHFFFAOYSA-N
-rxn:4:184440:224056,CCC[C@H]1CC[C@H](c2ccc(-c3c(CC(=O)OC)ccc(C(F)(F)F)c3C#N)c(F)c2)CC1,DRAXFWUVGCSQPB-QAQDUYKDSA-N
-rxn:4:184464:223789,COC(=O)Cc1cc(-c2cc(O[Si](C)(C)C(C)(C)C)cc(C(=O)OC)c2)cc(C(F)(F)F)c1C#N,RGISQTDBESUVCM-UHFFFAOYSA-N
-rxn:4:184479:224795,CCOC(=O)c1c(C#N)cc(C(F)(F)F)cc1-c1ccc(F)c(S(=O)(=O)N(CC)CC)c1,VCCXJCWSGPFVOL-UHFFFAOYSA-N
-rxn:4:184489:224765,CCOC(=O)c1cc(C(F)(F)F)c(-c2cc(C(F)(F)F)ccc2N2CCCC2)cc1C#N,KEJVCNYLDUGGBS-UHFFFAOYSA-N
-rxn:4:184537:223498,COC(=O)Cc1cc(C#N)c(OC)c(-c2ccc(C(=O)N3CCCN(C(=O)OC(C)(C)C)CC3)cc2)c1,ZKACHONBYKSTKK-UHFFFAOYSA-N
-rxn:4:184818:223831,CCN(CC)CCc1ccc(F)c(-c2ccc(OC)c(S(=O)(=O)N3CCC(C)CC3)c2)c1,DIQGNNFWMVUTLT-UHFFFAOYSA-N
-rxn:4:184893:223644,CCOC(=O)C1CCCN(C(=O)c2ccc(-c3ccc(S(=O)(=O)C(C[N+](=O)[O-])c4ccccc4)cc3)cc2)C1,GWONNTIFTGJROQ-UHFFFAOYSA-N
-rxn:4:184903:224312,CN1CCN(C(=O)c2cc(-c3ccc(OCCCN4CCCC4)c(Cl)c3)ccc2F)CC1,XQCHVTBIKYJDEX-UHFFFAOYSA-N
-rxn:4:185025:224081,CC(C)(C)OC(=O)N1CC(Oc2ccc(-c3ccccc3CCO[Si](C)(C)C(C)(C)C)cc2)C1,SQMNAAKBHUMVNL-UHFFFAOYSA-N
-rxn:4:185026:224330,CC(C)(C)OC(=O)N1CC(Sc2ccc(-c3ccc(Cl)c(C(=O)N4CCC(=O)CC4)c3)cc2)C1,JVZNGPCHLYOHSY-UHFFFAOYSA-N
-rxn:4:185045:223893,CCN1CCN(CCOc2cccc(-c3cc(OC4CN(C(=O)OC(C)(C)C)C4)ccc3Cl)c2)CC1,DWGTVWWWHZVESW-UHFFFAOYSA-N
-rxn:4:185049:225547,CCCCOc1cc(F)c(C)cc1-c1ccc(OCCN2CCCC(C(F)(F)F)C2)cc1,IPMKMTAPLKNOSE-UHFFFAOYSA-N
-rxn:4:185061:222451,COc1ccc(CNS(=O)(=O)c2ccc(-c3cc(Cl)cc(F)c3OCCN3CCCC(C(F)(F)F)C3)cc2)cc1,WIYNYLVKGBUDLD-UHFFFAOYSA-N
-rxn:4:185062:227009,CCC(C)Oc1ccccc1-c1cc(Cl)cc(F)c1OCCN1CCC(C(F)(F)F)CC1,LDBALTSENMVYDJ-UHFFFAOYSA-N
-rxn:4:185062:227544,COC(=O)c1ccc(F)cc1-c1cc(Cl)cc(F)c1OCCN1CCC(C(F)(F)F)CC1,JAMNMSXVDZNNQU-UHFFFAOYSA-N
-rxn:4:185097:224061,CCCC1CCC(c2ccc(-c3cc(Cl)cc(F)c3OCCN3CCC(OC)CC3)c(F)c2)CC1,PFEXYBBXUOAADK-UHFFFAOYSA-N
-rxn:4:185114:226721,COC(=O)c1cc(-c2ccc(S(=O)(=O)CC(=O)N3CCC(C(F)(F)F)CC3)cc2)cc(OC)n1,HQCNVWSRFLSOBR-UHFFFAOYSA-N
-rxn:4:185115:223165,CC(=O)Nc1ccc(-c2ccccc2S(=O)(=O)CC(=O)N2CCCC(C(F)(F)F)C2)c(Cl)c1C,PGAYTVMXMLALQD-UHFFFAOYSA-N
-rxn:4:185116:223255,CONC(=O)c1cccc(-c2ccccc2S(=O)(=O)CC(=O)N2CCC(C(F)(F)F)CC2)c1,YNLUFEXEVFRYCU-UHFFFAOYSA-N
-rxn:4:185144:222935,CCOC(=O)C1CCN(S(=O)(=O)c2ccc(-c3ccc(CNS(=O)(=O)N(C)C)cc3)cc2)CC1,NNQMPQGHFZSUKY-UHFFFAOYSA-N
-rxn:4:185145:223004,CCOC(=O)C1CCCN(S(=O)(=O)c2ccc(-c3ccc(C4CCNCC4)c(F)c3)cc2)C1,JOLVKCDSEKVZKI-UHFFFAOYSA-N
-rxn:4:185148:223823,CC(C)(C)OC(=O)N1CCC(n2cc(-c3ccc(S(=O)(=O)C4CN(C(=O)OC(C)(C)C)C4)cc3)cn2)CC1,CNVWZXQZSZHOPR-UHFFFAOYSA-N
-rxn:4:185165:226225,COCCOCc1cccc(-c2ccc(C(F)(F)F)c(C3CN(C(=O)OC(C)(C)C)C3)c2)c1,HRLIHZOGYPCVAT-UHFFFAOYSA-N
-rxn:4:185199:222936,CCC(=O)NS(=O)(=O)c1ccc(-c2cc(CN3CCC(OC)CC3)cc(C(=O)OC)c2)cc1,XWTAZUAAGRIRMN-UHFFFAOYSA-N
-rxn:4:185247:222725,CCNS(=O)(=O)c1ccc(-c2cc(OC)c(CN3CCC(C(F)(F)F)CC3)c(OC)c2)c(C(F)(F)F)c1,KSXUXCRLVKXYFV-UHFFFAOYSA-N
-rxn:4:185247:227464,CCCCSc1ncc(-c2cc(OC)c(CN3CCC(C(F)(F)F)CC3)c(OC)c2)cn1,AYXJKDAFZNEBRE-UHFFFAOYSA-N
-rxn:4:185269:222599,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3ccc(C(=O)Nc4cccc(Cl)c4)c(F)c3)cc2)(C(F)(F)F)C1,GCMZAQVIYSMIJH-UHFFFAOYSA-N
-rxn:4:185284:224659,CN1CCN(C(=O)c2cccc(-c3ccccc3C(=O)N(Cc3ccc(Cl)cc3)C3CCS(=O)(=O)C3)c2)CC1,ZDMHABXNQVZXIZ-UHFFFAOYSA-N
-rxn:4:185320:224305,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3ccc(O[Si](C)(C)C(C)(C)C)c(Cl)c3F)cc2Cl)CC1,BEEAHTPSLMGAIF-UHFFFAOYSA-N
-rxn:4:185320:225544,COc1ccc(-c2ccc(OC3CCN(C(=O)OC(C)(C)C)CC3)c(Cl)c2)cc1OCC(C)C,PZDBNXBWHPVTRX-UHFFFAOYSA-N
-rxn:4:185337:224650,O=S(=O)(CC1CCCN1S(=O)(=O)c1ccccc1-c1cc(F)ccc1OCC1CCOCC1)c1ccccc1,XGRAVXOLQOBCAO-UHFFFAOYSA-N
-rxn:4:185346:224842,CC(C)(C#Cc1ncccc1-c1ccc2c(c1)C(C)(C)CCC2(C)C)O[Si](C)(C)C(C)(C)C,PYVUEYXMDRQIPD-UHFFFAOYSA-N
-rxn:4:185353:223263,CNC(=O)c1ccc(F)c(-c2ccc(CC(=O)N3CCC(S(=O)(=O)C(C)(C)C)C3)cc2)c1,SHVXEMLXARQWPM-UHFFFAOYSA-N
-rxn:4:185364:223573,CC(C)N1C(=O)C(=Cc2cc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)cc3)ccc2OCc2ccc(Cl)cc2)SC1=S,FGSJGJWXQOPWBG-UHFFFAOYSA-N
-rxn:4:185377:223927,CC(C)(C)OC(=O)N1CCC(S(=O)(=O)c2ccc(-c3cc4cccnc4n3COCC[Si](C)(C)C)cc2)CC1,ZJTYSUSFXWZGFS-UHFFFAOYSA-N
-rxn:4:185379:223176,CC(C)(C)OC(=O)N1CCC(C(F)(F)c2cccc(-c3cccc(CNS(C)(=O)=O)c3)c2)CC1,BUJNLGNFXOUJIP-UHFFFAOYSA-N
-rxn:4:185381:224747,COc1ccc(-c2ncc(-c3cc(C4CCCN(C(=O)OC(C)(C)C)C4)cc(C(F)(F)F)c3)c(Cl)n2)cc1,VTLJGYKIYKBMMO-UHFFFAOYSA-N
-rxn:4:185382:223591,CC(C)(C)OC(=O)N1CCC(c2cc(-c3cc(N4CCN(C(=O)OC(C)(C)C)CC4)ccc3F)ccc2C(F)(F)F)CC1,FHKMYTYNAMQAMG-UHFFFAOYSA-N
-rxn:4:185384:226746,CCc1cnc(C(F)(F)F)cc1-c1ccc(C(F)(F)F)cc1C1CCCN(C(=O)OC(C)(C)C)C1,IJYAUWHAJALADO-UHFFFAOYSA-N
-rxn:4:185401:222629,CCCOc1cc(S(=O)(=O)N2CC(C)CC(C)C2)ccc1-c1cc(C2CCCNC2)nc(C(C)(C)C)c1,OFHJHVFRCIYCNT-UHFFFAOYSA-N
-rxn:4:185404:227052,CC(C)(C)OC(=O)N1CCC(c2cc(C3CC3)ccc2-c2ccc(SC(C)(C)C)cc2)C1,KXZBGJXHCJJPCF-UHFFFAOYSA-N
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-rxn:4:187592:222919,CC(C)(C)NS(=O)(=O)c1ccc(-c2cc(C3CCN(C(=O)OC(C)(C)C)CC3)ccc2F)cc1,CJQVXTNWAUJYAI-UHFFFAOYSA-N
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-rxn:4:187634:222854,COc1ccc(C2CCCNC2)cc1-c1ccc(N(C(=O)C2CCCCC2)C2C=CS(=O)(=O)C2)cc1,YSYGYXMDVNIIJW-UHFFFAOYSA-N
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-rxn:4:187742:222646,COCCCN1C(=O)C(=O)c2cc(-c3c(C)cc(NC(=O)OC(C)(C)C)cc3C)ccc21,ZWQJLPBJIWFVQZ-UHFFFAOYSA-N
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-rxn:4:187920:223813,CCOc1cc(S(=O)(=O)N2CCc3ccccc3C2)ccc1-c1ccc(CN2CCC3(CC2)OCCO3)c(F)c1,OSKSQDVDUUMSFC-UHFFFAOYSA-N
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-rxn:4:187943:224737,COc1ccc(-c2ccc(OCC(C)C)cc2C(F)(F)F)c2c1CCN(C(=O)OC(C)(C)C)CC2,YADDWAHAWCOFCG-UHFFFAOYSA-N
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-rxn:4:188026:224771,Cc1ccc(-c2ccc3oc4c(c(=O)c3c2)C(c2ccc(C(C)C)cc2)N(CC2CCCO2)C4=O)cc1S(=O)(=O)N1CCCC1,ANCCKLCKQNLPCZ-UHFFFAOYSA-N
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-rxn:4:190122:222633,CN(C(=O)c1cccc(-c2ccc(C(=O)NCCN3CCCC3)cc2)c1)C1CCOCC1,PLSSQHIELFMBKC-UHFFFAOYSA-N
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-rxn:4:201244:223698,COC(=O)c1c(C#N)ccc([N+](=O)[O-])c1-c1ccc(OC(F)(F)F)c(S(=O)(=O)N2CCCC2)c1,MXDVOLHWOYVECP-UHFFFAOYSA-N
-rxn:4:201493:223489,CCOC(=O)c1nn(-c2ccccc2Cl)cc1-c1ccc(S(=O)(=O)N2CCC(O[Si](C)(C)C(C)(C)C)CC2)cc1,YMUAKEPKTZVDGU-UHFFFAOYSA-N
-rxn:4:201598:223941,CN(C(=O)OC(C)(C)C)c1cncc(-c2ccc3c(c2)CC(=O)N3C(=O)OC(C)(C)C)c1,KVPLKVGNQAQNSK-UHFFFAOYSA-N
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-rxn:4:201675:222693,N#CCC(=O)C1CCCN(c2cc(-c3ccc(S(=O)(=O)NC4CCCCC4)cc3)ccc2F)C1=O,NTNBATOCXVADAO-UHFFFAOYSA-N
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-rxn:4:201785:224660,CCOC(=O)C1CCN(c2ccc(-c3ccc(C(=O)N4CCN(C)CC4)cc3)cn2)CC1,XLPBPQRHJGXNFL-UHFFFAOYSA-N
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-rxn:4:201937:225385,Cc1ccc(OCC(=O)N2CCN(C)CC2)c(-c2cc(C(F)(F)F)nc(C(F)(F)F)c2)c1,XNBDQTPRMIWXLX-UHFFFAOYSA-N
-rxn:4:201945:224250,CC1CCCCN1C(=O)c1ccc(F)c(-c2cncc([C@H]3CCCN3C(=O)OC(C)(C)C)c2)c1,PUPYXFCZUZMJGQ-VCUSLETLSA-N
-rxn:4:201967:225799,COc1cc(S(=O)(=O)N2CCN(C(C)=O)CC2)ccc1-c1cncc(OC2CCOCC2)c1,QAAJBWNLVTXTLO-UHFFFAOYSA-N
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-rxn:4:202000:225055,CC1CCCN(c2ccc(-c3ccc(C4COCCN4C(=O)OC(C)(C)C)cn3)c(Cl)c2)C1,AZSGVAUOCQXTCN-UHFFFAOYSA-N
-rxn:4:202003:222720,COc1ccc(CN2CCN(S(C)(=O)=O)CC2)cc1-c1ccc(N2CCNCC2)cc1C(F)(F)F,UXVSHIZWHCEROH-UHFFFAOYSA-N
-rxn:4:202005:222723,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3cccc(NS(=O)(=O)N4CCOCC4)c3)c2)CC1,IOFSAMWKOHKHCK-UHFFFAOYSA-N
-rxn:4:202069:224722,CN(C(=O)OC(C)(C)C)c1cc(-c2cncc(C(=O)N3CCC(S(=O)(=O)C(C)(C)C)C3)c2)ccn1,DJYWWYUTWKXRNT-UHFFFAOYSA-N
-rxn:4:202075:222912,CC(C)CNS(=O)(=O)c1ccc(-c2ccc(C3(C)CCN(C(=O)OC(C)(C)C)C3=O)nc2)cc1,WTNGRAMYYDJDIA-UHFFFAOYSA-N
-rxn:4:202081:224393,O=S(=O)(c1ccc(-c2cc(C(F)(F)F)ccc2N2CCOCC2)cc1)N1CCCC(Oc2ccncc2)C1,YYBZBTKIFLJLHE-UHFFFAOYSA-N
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-rxn:4:202157:224753,Cc1ccc(S(=O)(=O)N2CCCC2)cc1-c1cncc(C(=O)N2CCC(S(=O)(=O)c3ccccc3)CC2)c1,BFBJRVOWZFMKIO-UHFFFAOYSA-N
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-rxn:4:202214:225336,COc1ccc(-c2ccc(COCC(F)(F)F)cc2F)cc1S(=O)(=O)N1CCN(c2ccccc2Cl)CC1,CYXLXDNCEOUIIV-UHFFFAOYSA-N
-rxn:4:202222:222867,CC1CN(C(=O)OC(C)(C)C)CCC1c1ccnc(-c2ccc(NC(=O)OC(C)(C)C)cc2)c1,NAVCSYDSPONCBV-UHFFFAOYSA-N
-rxn:4:202273:223076,O=C(C1CCCN(Cc2cccc(-c3cccc(S(=O)(=O)NC4CC4)c3)c2)C1)N1CCSCC1,RPBNGUYUBHXSJI-UHFFFAOYSA-N
-rxn:4:202290:222420,COC1CCN(C2CCN(S(=O)(=O)c3ccc(-c4ccccc4S(N)(=O)=O)cc3)CC2)C1,CQFNKZVSEAUETF-UHFFFAOYSA-N
-rxn:4:202303:225640,COc1cc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c(C)cc1-c1ccnc(N2CCCCC2C)c1,OOICMQNUCKUJAD-UHFFFAOYSA-N
-rxn:4:202310:227438,O=S(=O)(c1ccc(-c2ccnc(C3CCOC3)c2)cc1)N1CCCSCC1CN1CCOCC1,WCEZBNJOFUHQRB-UHFFFAOYSA-N
-rxn:4:202320:227213,CCCCSc1cncc(-c2cc(F)cc(N3CCN(O[Si](C)(C)C(C)(C)C)CC3)c2)c1,GINMZBNDXUPMSD-UHFFFAOYSA-N
-rxn:4:202329:224195,CCN1CCN(Cc2cc(-c3cc(S(=O)(=O)N4CCN(c5ccc(C)cc5)CC4)c(OC)cc3C)ccc2Cl)CC1,IKECSBJTDWIYIF-UHFFFAOYSA-N
-rxn:4:202345:222477,COc1cc(C)c(-c2cccc(C(=O)NCc3ccc(C)cc3)c2F)cc1S(=O)(=O)N1CCN(c2c(C)cccc2C)CC1,YNRSRFDXPRMYQL-UHFFFAOYSA-N
-rxn:4:202349:223657,Cc1ccc(S(=O)(=O)N2CCOC23CCN(C(=O)c2ccc(-c4cn(S(=O)(=O)c5ccc(C)cc5)c5ccncc45)cc2)CC3)cc1,LDPQMVFHPGGRRE-UHFFFAOYSA-N
-rxn:4:202349:224217,Cc1ccc(S(=O)(=O)N2CCOC23CCN(C(=O)c2ccc(-c4ccc(OCc5ccccc5)c(F)c4F)cc2)CC3)cc1,DYBVXKHKDHMYLB-UHFFFAOYSA-N
-rxn:4:202491:223842,CC1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2cc3c(cc2[N+](=O)[O-])N(C(=O)OC(C)(C)C)CC3)CC1,NTQSGSRJVVYCGR-UHFFFAOYSA-N
-rxn:4:202492:222545,CC(C)(C)OC(=O)Cn1cnc2ccc(-c3ccc(C(C)(C)NC(=O)OC(C)(C)C)cc3)cc2c1=O,XWSWWWCXTLOGNG-UHFFFAOYSA-N
-rxn:4:202501:224485,C#CCn1c(=NC(=O)C(C)(C)C)sc2cc(-c3ccn([Si](C(C)C)(C(C)C)C(C)C)c3)ccc21,ZXBLXMWKKCVINC-UHFFFAOYSA-N
-rxn:4:202569:223728,CCCCCC1CCC(c2ccc(-c3ccc(N4C(=NC(=O)CCC)SC5CS(=O)(=O)CC54)c(F)c3)c(F)c2)CC1,RWTSKHYZMGMVMD-UHFFFAOYSA-N
-rxn:4:202592:225270,CCCOc1ccc(-c2c(CO[Si](C)(C)C(C)(C)C)nn3c2CCC3)cc1C(F)(F)F,KJHXAPZIHNNDGA-UHFFFAOYSA-N
-rxn:4:202598:224689,CCCCN1C(=O)C(=C2SC(=S)N(CC)C2=O)c2cc(-c3ccc(C(=O)N4CCCCC4)cc3Cl)ccc21,LPIHPZXUVSBMRP-UHFFFAOYSA-N
-rxn:4:202599:224999,CCC1SC2=NC(C)=C(C(=O)OC)C(c3cccc(-c4ccc(C(C)N5CCOCC5)cc4)c3)N2C1=O,PLDCPVAEUZJDDR-UHFFFAOYSA-N
-rxn:4:202664:223973,CC1CCCN(c2ccc(-c3ccccc3S(=O)(=O)N3C4CCC3CC(Oc3cccnc3)C4)c(C(F)(F)F)c2)C1,GCVFDWYEDWHQMV-UHFFFAOYSA-N
-rxn:4:202675:222725,CCNS(=O)(=O)c1ccc(-c2cn([Si](C(C)C)(C(C)C)C(C)C)c3ncccc23)c(C(F)(F)F)c1,SWZWMPYIMRJYES-UHFFFAOYSA-N
-rxn:4:202675:224188,CC(C)N(C(=O)c1ccc(-c2cn([Si](C(C)C)(C(C)C)C(C)C)c3ncccc23)c(Cl)c1)C(C)C,ZEDYHKVTVDFXRF-UHFFFAOYSA-N
-rxn:4:202678:224174,CCN(C(=O)OC(C)(C)C)c1ccc(-c2cc3c(ccn3[Si](C(C)C)(C(C)C)C(C)C)cn2)cc1,CFLJLLZLIQIYGH-UHFFFAOYSA-N
-rxn:4:202679:224426,CC(C)[Si](C(C)C)(C(C)C)n1ccc2cc(-c3cc(C4CCCCC4)cc(C4CC4)c3)nc(Cl)c21,XNQUSRMHMHOEAF-UHFFFAOYSA-N
-rxn:4:202681:224652,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(F)c(-c3ccc(Cl)c(O[Si](C)(C)C(C)(C)C)c3)cnc21,RXZLQHPMPJUVBW-UHFFFAOYSA-N
-rxn:4:202736:225895,CCCN1C(=O)C(=C2SC(=S)N(C(C)c3ccccc3)C2=O)c2cc(-c3cc(Cl)c(F)c(OCCOC)c3)ccc21,RXCZMTCRECFTOO-UHFFFAOYSA-N
-rxn:4:202817:223027,CCCNC(=O)c1cc(F)cc(-c2ccc(C(=O)N3C(=O)N(c4cccc(CC)c4)C4(C)CC3c3ccccc3O4)cc2)c1,LUHXOWMGOULEND-UHFFFAOYSA-N
-rxn:4:202818:224155,Cc1ccc(C2Oc3ccc(-c4cc(C5CC5)cc(N5CCN(C)CC5)c4)cc3C3CC(c4ccc(OC(C)C)cc4)=NN32)cc1,VNHDDDGASDUINF-UHFFFAOYSA-N
-rxn:4:202907:223699,COC(=O)c1n[nH]c(C(F)(F)F)c1-c1ccc(S(=O)(=O)N2CCOCC2)cc1C(F)(F)F,MNOWQTKFHFZGKC-UHFFFAOYSA-N
-rxn:4:202947:223540,CCOC(=O)c1ncnc(Cl)c1-c1cc(S(=O)(=O)N2CCC3(CC2)OCCO3)ccc1OC,XYERBCRRRJCJAY-UHFFFAOYSA-N
-rxn:4:202959:223689,CCN1CCN(S(=O)(=O)c2cc(-c3nc(C(=O)OC)ccc3[N+](=O)[O-])ccc2OC)CC1,PELVFHLFKKMGMI-UHFFFAOYSA-N
-rxn:4:203156:223840,COC(=O)C(C)(C)n1ncc(-c2ccc(OC)c(S(=O)(=O)N3CCN(C)CC3)c2)c1F,WIJNCSYKZUJGIU-UHFFFAOYSA-N
-rxn:4:203285:223646,CN(C)Cc1cc([N+](=O)[O-])ccc1-c1ccc(OC2CCN(C(=O)OC(C)(C)C)C2)cc1,WTGIVNQSKFCTNW-UHFFFAOYSA-N
-rxn:4:203443:223635,COC(=O)C(C)n1nc(C)c(-c2ccc(C3CCN(C(=O)OC(C)(C)C)CC3)cc2)c1C,RSORLNQLJSUOMK-UHFFFAOYSA-N
-rxn:4:203465:223885,CC(C)(C)OC(=O)N1CCc2ccc(-c3ccc(OC4CCOCC4)c(C#N)n3)cc2C1,ZBCPUOIEPVRUCZ-UHFFFAOYSA-N
-rxn:4:203542:224770,Cc1cc(-c2cc(C#N)c(C(F)(F)F)cc2N2CCCC2)cc(S(=O)(=O)N2CCCC2)c1,GNOILIQTKLBJIQ-UHFFFAOYSA-N
-rxn:4:203566:222701,COC(=O)c1[nH]c(C2CCOCC2)nc1-c1cc(C2CCCNC2)cc(C(F)(F)F)c1,DDWWMPXQSABYNM-UHFFFAOYSA-N
-rxn:4:203593:224649,O=C(c1cc(-c2cc(F)ccc2OCC2CCCCO2)cc([N+](=O)[O-])c1)N1CCSCC1,JOOSULSBZGMHIC-UHFFFAOYSA-N
-rxn:4:203636:223792,COC(=O)C1CCN(C(=O)c2ccc(-c3ccc([N+](=O)[O-])c(CN4CCOCC4)c3)cc2)CC1,XSKQWYXXRGOROB-UHFFFAOYSA-N
-rxn:4:203638:223712,COc1ccc(-c2ccc(S(=O)(=O)NN3CCOCC3)cc2)cc1C12CC3CC(CC(C3)C1)C2,OPQXNBRMWCOEDG-UHFFFAOYSA-N
-rxn:4:203644:222604,COc1ccc(-c2cccnc2OC2CCN(S(C)(=O)=O)C2)cc1S(=O)(=O)NC1CCCC1,HYZBQLLRBVJIEL-UHFFFAOYSA-N
-rxn:4:203644:222716,CS(=O)(=O)N1CCC(Oc2ncccc2-c2ccc(S(=O)(=O)NC3CCCC3)c(F)c2)C1,WJVPZIDOIHADRZ-UHFFFAOYSA-N
-rxn:4:203668:223992,Cc1ccc(-c2cccnc2OC2COCC2N(C)C)cc1S(=O)(=O)N1CCN(C)CC1,YKKAPKSLCPLNHZ-UHFFFAOYSA-N
-rxn:4:203772:224614,COc1cc(N2CCCCC2)c(-c2ccc(N(C)C(=O)OC(C)(C)C)cc2)cc1[N+](=O)[O-],GIABTGAJROPGQU-UHFFFAOYSA-N
-rxn:4:203777:223895,CCN1CCN(CCOc2ccc(-c3cc(N4CCC(OC)CC4)c([N+](=O)[O-])cc3F)cc2)CC1,BNKQNECEORVZKG-UHFFFAOYSA-N
-rxn:4:203779:222542,CC(=O)N1CCN(C(=O)c2ccc(-c3ccc(C)c(OCCCN4CCNCC4)c3)cc2Cl)CC1,CVJWTQMXSMZSAJ-UHFFFAOYSA-N
-rxn:4:203893:222607,CS(=O)(=O)N1CCC(Nc2ccc(-c3cncc(CC4CCCN(S(C)(=O)=O)C4)c3)cc2)CC1,TZCZVPOFVDILSZ-UHFFFAOYSA-N
-rxn:4:203903:224970,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc(S[Si](C)(C)C(C)(C)C)cc3)cc2F)CC1,XUXWVEHVYKYOLR-UHFFFAOYSA-N
-rxn:4:203907:225125,CN1CCN(Cc2cc(C(F)(F)F)ccc2-c2cc(F)ccc2OCC2CCOC2)CC1,QMRCLFPHUOYMQN-UHFFFAOYSA-N
-rxn:4:203968:222523,CN(C)C1CCN(C(=O)c2ccc(-c3ccc(S(=O)(=O)NC(C)(C)C)cc3C(F)(F)F)c(F)c2)CC1,XEOVNOJKOPOGMN-UHFFFAOYSA-N
-rxn:4:203969:223602,CC(C)N1CCN(C(=O)c2cccc(-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3Cl)c2F)CC1,USEJGICBLDJNMK-UHFFFAOYSA-N
-rxn:4:203972:222958,CC(=O)N1CCN(S(=O)(=O)c2ccc(-c3ccc(C)c(C4CCNCC4)c3)c(C)c2)CC1,LAVBSSDPCXAARC-UHFFFAOYSA-N
-rxn:4:204009:222393,CC(C)N1CCN(Cc2cc(F)cc(-c3cccc(C(=O)N[C@H]4CC[C@H](O)CC4)c3)c2)CC1,BHUGRKIDZAVZFB-DIVCQZSQSA-N
-rxn:4:204015:222604,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(OC)c(S(=O)(=O)NC4CCCC4)c3)ccc2C)CC1,SCROROKWPYYZJB-UHFFFAOYSA-N
-rxn:4:204015:224723,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(S(=O)(=O)N(CC)CC)cc3C)ccc2C)CC1,RSDFIBAXSRCHFX-UHFFFAOYSA-N
-rxn:4:204026:224878,CN1CCN(Cc2ccc(S(C)(=O)=O)cc2-c2ccccc2COC2CCCCC2)CC1,VEBWVGPBZLGEAH-UHFFFAOYSA-N
-rxn:4:204028:225382,C[C@H]1CN(S(C)(=O)=O)CCN1Cc1cccc(-c2cc(C(F)(F)F)ccc2C(F)(F)F)c1,NASXTIFAUWZTJV-AWEZNQCLSA-N
-rxn:4:204033:225291,CC(C)Oc1cc(C(F)(F)F)ccc1-c1ccc(Cl)c(C(=O)N2CCC(N3CCCC3)C2)c1,SMPQHUQZMAIREV-UHFFFAOYSA-N
-rxn:4:204046:226553,COC(=O)c1c(OC)cccc1-c1ccccc1S(=O)(=O)N1CCC(N2C(=O)CSC2=O)CC1,RCVXFHGEIAHEPC-UHFFFAOYSA-N
-rxn:4:204054:222447,COc1ccc2c(c1-c1ccc(C(=O)N3CCCN(C4CCOC4)CC3)o1)N=C(NC(=O)OC(C)(C)C)C2,KVMOIYKKDAJBRQ-UHFFFAOYSA-N
-rxn:4:204054:223903,O=C1CCN(C(=O)CCc2ccccc2-c2ccc(C(=O)N3CCCN(C4CCOC4)CC3)o2)CC1,JBMCPARZXVSFJB-UHFFFAOYSA-N
-rxn:4:204056:225912,CCCOc1c(F)cc(F)c(-c2ccc(CN3CCC(F)(F)C3)c(N3CCCC3)c2)c1F,VYRBVFOODFXENJ-UHFFFAOYSA-N
-rxn:4:204074:226873,CC(=O)N1CCN(S(=O)(=O)c2cc(C)c(C)cc2-c2cccc(Cl)c2OC(F)(F)F)CC1,QCBAAYAQNPTBRU-UHFFFAOYSA-N
-rxn:4:204088:225737,CCCCOc1c(F)ccc(-c2ccccc2-c2ccc(C=C3SC(N4CCOCC4)=NC3=O)o2)c1F,QEINKRDMIIHDQW-UHFFFAOYSA-N
-rxn:4:204100:223103,CC(C)(C)NS(=O)(=O)c1ccc(-c2cccc(C(=O)N3CCCN(C4CCC4)CC3)c2)s1,OZXVVRXVIDDXGY-UHFFFAOYSA-N
-rxn:4:204108:224292,Cc1cc(-c2cncc(C(=O)N3CCC(c4ccccc4)S(=O)(=O)CC3)c2)ccc1S(=O)(=O)OCC(C)(C)C,OPRMQSAPWLNZBC-UHFFFAOYSA-N
-rxn:4:204109:222465,O=C1COCC(=O)N1C1CCN(S(=O)(=O)c2ccccc2-c2cc(C3CCCCC3)nc(C3CCCNC3)c2)CC1,QJUZIHLEJYWCQA-UHFFFAOYSA-N
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-rxn:4:204118:223601,COc1ccc(COc2ncc(-c3ccccc3C(=O)N3CCCN(C4CCSC4)CC3)cc2C(F)(F)F)cc1,OXXKCKCQTXKBOI-UHFFFAOYSA-N
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-rxn:4:206697:224325,CS(=O)(=O)N1CC=C(c2ccc(-c3cnc(C4CCCN(S(C)(=O)=O)C4)s3)cc2)CC1,VGPIRZKMKMKOHJ-UHFFFAOYSA-N
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-rxn:4:206937:223951,Cc1cc([N+](=O)[O-])cc(-c2ccc(OCCN3CCN(C)CC3)c(F)c2)c1N1CCCCC1,CBVHYCXBXKMTLA-UHFFFAOYSA-N
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-rxn:4:209809:223589,Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1nn(C2CCCCC2)cc1C,FLDOWCBIXPODPQ-UHFFFAOYSA-N
-rxn:4:211042:222808,CC(C)NC(=O)c1cc(-c2cccc3c2CN(C2CCC(=O)N(C)C2=O)C3=O)cc([N+](=O)[O-])c1,FKELCKDKKCAOCH-UHFFFAOYSA-N
-rxn:4:211058:224305,CC(C)(C)[Si](C)(C)Oc1ccc(-c2ccc3ccc(N4CCC5(CC4)OCCO5)nc3c2)c(F)c1Cl,QQTXPABVEPMHHW-UHFFFAOYSA-N
-rxn:4:211060:222440,CN1CCN(C2CCCc3cc(-c4ccc(S(=O)(=O)NCc5ccco5)cc4C(F)(F)F)ccc32)CC1,MQQFYNKJVPSSLN-UHFFFAOYSA-N
-rxn:4:211060:224681,CN1CCN(C2CCCc3cc(-c4ccc(C(=O)N5CCCCC5)c(F)c4)ccc32)CC1,UOWIHTUVUJQAAY-UHFFFAOYSA-N
-rxn:4:211101:224884,Cc1ccc(C2=NN3C(C2)c2cc(-c4cccc(CN5CCC(C)CC5)c4)ccc2OC32CCC(C)CC2)cc1,UPNKAIQCUVHASG-UHFFFAOYSA-N
-rxn:4:211101:225639,Cc1ccc(C2=NN3C(C2)c2cc(-c4cccnc4N4CCC(C)CC4)ccc2OC32CCC(C)CC2)cc1,UZLZIMAGTYMGBT-UHFFFAOYSA-N
-rxn:4:212491:223712,COc1ccc(-c2ccc3c(c2)C2CN(C)CCN2CC3)cc1C12CC3CC(CC(C3)C1)C2,CVFNTXMDBYNCDM-UHFFFAOYSA-N
-rxn:4:212512:224193,CCCN(CCC)c1c(-c2ccc(F)c(CN3CCN(CC)CC3)c2)cncc1[N+](=O)[O-],QXJKYNIFUXIHNU-UHFFFAOYSA-N
-rxn:4:212534:223493,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccc(-c2cnc(SCC#N)n2-c2cccc(C(F)(F)F)c2)cc1,NGPJPMLYILBENN-UHFFFAOYSA-N
-rxn:4:212542:224256,CCOCC(=O)N1CCCC(Oc2ncc(-c3ccc(Cl)c(C(=O)N4CCCCC4C)c3)cn2)C1,DBPRSKFEBRYXBF-UHFFFAOYSA-N
-rxn:4:212542:225335,CCOCC(=O)N1CCCC(Oc2ncc(-c3ccc(OC(F)(F)F)cc3OCC)cn2)C1,RBUOJVXZAABEEV-UHFFFAOYSA-N
-rxn:4:212622:223992,Cc1ccc(-c2cnc(OCC3CCCN(C(=O)Cc4ccc(F)cc4)C3)nc2)cc1S(=O)(=O)N1CCN(C)CC1,OCGKVXATCAFXQU-UHFFFAOYSA-N
-rxn:4:212622:224502,CN1CCCCC1COc1cccc(-c2cnc(OCC3CCCN(C(=O)Cc4ccc(F)cc4)C3)nc2)c1,SHCGLKOJOBPURY-UHFFFAOYSA-N
-rxn:4:212624:222848,CCc1cc(-c2ccccc2CCC(=O)N2CCC(Oc3ncc(F)cn3)CC2)cc(C2CCCNC2)n1,IONBDGPTRUSQSP-UHFFFAOYSA-N
-rxn:4:212664:225296,COc1ccccc1S(=O)(=O)N1CCC(COc2ncc(-c3ccc(S(=O)(=O)N4CCCC4)cc3)cn2)CC1,WSHNUXGDLFFCKM-UHFFFAOYSA-N
-rxn:4:212692:223609,CC1CN(C(=O)Cc2cncc(-c3cc4c(c5ccccc35)-c3ccccc3C4(C)C)c2)CCN1C(=O)OC(C)(C)C,JVESEWRXRNZLBV-UHFFFAOYSA-N
-rxn:4:212728:226662,COc1cc(OC)cc(-c2noc(C3CCN(S(=O)(=O)c4ccc(-c5ccc(N6CCN(C)CC6)s5)cc4)CC3)n2)c1,UAPBFXKZTVYHPP-UHFFFAOYSA-N
-rxn:4:212744:225855,CC(C)(C)OC(=O)N1CCN(c2cc(CN3CCC(F)(F)CC3)cc(-c3cnc(-c4cccc(Cl)c4)nc3)c2)CC1,QURZOAHBQULHBJ-UHFFFAOYSA-N
-rxn:4:212757:223480,Cc1cc(-c2nn(COCC[Si](C)(C)C)c3ccc([N+](=O)[O-])cc23)cc(C)c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,FACSDOAPHVCGIE-UHFFFAOYSA-N
-rxn:4:212783:224753,CCOC(=O)N1CCN(C(=O)Cn2ccc3ccc(-c4cc(S(=O)(=O)N5CCCC5)ccc4C)cc32)CC1,WPOWPQJRTXFLSZ-UHFFFAOYSA-N
-rxn:4:212812:222611,CCN(CC)S(=O)(=O)c1ccc2oc(-c3nc(-c4cccc(-c5cc(S(=O)(=O)N6CCNCC6)ccc5OC)c4)no3)c(C)c2c1,GIJWJKUGNQWBAY-UHFFFAOYSA-N
-rxn:4:212814:226676,CC(C)(C)OC(=O)N1Cc2c(nn(C(=O)OC(C)(C)C)c2-c2ccc(-n3cccn3)cc2F)C1(C)C,BLIOKUHEXZRUPB-UHFFFAOYSA-N
-rxn:4:212814:226939,Cc1nccc2ccc(-c3c4c(nn3C(=O)OC(C)(C)C)C(C)(C)N(C(=O)OC(C)(C)C)C4)cc12,KQOABHCCAKLABJ-UHFFFAOYSA-N
-rxn:4:212814:227859,Cn1ccc2ccc(-c3c4c(nn3C(=O)OC(C)(C)C)C(C)(C)N(C(=O)OC(C)(C)C)C4)cc21,ZYFRSVQNRVIDCG-UHFFFAOYSA-N
-rxn:4:212905:224624,CC(C)(C)COC(=O)c1ccc(Cl)cc1-c1ccnc(OC2CN(C(=O)OC(C)(C)C)C2)n1,ADBCIIHMSKHUFK-UHFFFAOYSA-N
-rxn:4:212908:223834,CCOC(=O)N1CCCC(Oc2ncc(-c3cc(C)c(S(=O)(=O)N4CCN(C)CC4)c(C)c3)cn2)C1,SNRNLTUHYSFNFL-UHFFFAOYSA-N
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-rxn:4:212938:222546,CCC(=O)N1CCCC(COc2ncc(-c3ccc(OCCNC4CCCCC4)c(F)c3)cn2)C1,XKOKRSNALNZKCM-UHFFFAOYSA-N
-rxn:4:212944:223698,CCOC(=O)N1CCN(c2ncc(C(F)(F)F)cc2-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCCC3)c2)CC1,CTTNMCZFZYBJBH-UHFFFAOYSA-N
-rxn:4:212988:225877,CC(C)(C)OC(=O)N1CCN(C(=O)c2csc(-c3ccc(Cl)cc3N3CCOCC3)n2)CC1,PZGOFWQAFNUNFX-UHFFFAOYSA-N
-rxn:4:213024:224127,CCN1CCN(C(C)c2ccc(-c3ccccc3C(=O)N3CCCC(Oc4cc(C#N)ccn4)C3)cc2)CC1,RJDKPSOELXIVQN-UHFFFAOYSA-N
-rxn:4:213074:225326,CCOC(=O)c1ccc(-c2nccn2CC2CCN(C(=O)OC(C)(C)C)CC2)c([N+](=O)[O-])c1,SXPWFHSOFVUUNG-UHFFFAOYSA-N
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-rxn:4:213097:222948,CC(C)(C)OC(=O)N1CCC(C#N)(c2ccc(-c3cnc(N4CCC(O)CC4)nc3Cl)cn2)CC1,KGLMZGIFIKMBNI-UHFFFAOYSA-N
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-rxn:4:213111:223866,COc1cccc(C(=O)N2CCC(Oc3ncc(-c4ccccc4CN4C(C)(C)CCCC4(C)C)cn3)CC2)c1,AAGNPVQMAPMDCL-UHFFFAOYSA-N
-rxn:4:213123:223751,O=C(Cc1ccccc1-c1cccc(CN2C(=O)c3ccccc3C2=O)c1)N1CCN(c2ccnc(C(F)(F)F)c2)C(=O)C1,SDEFVMXRWGXMLZ-UHFFFAOYSA-N
-rxn:4:213123:224768,O=C(Cc1ccccc1-c1cc(F)c(C(=O)N2CCCC2)c(F)c1)N1CCN(c2ccnc(C(F)(F)F)c2)C(=O)C1,AKGZYUHPLOTIPT-UHFFFAOYSA-N
-rxn:4:213132:223787,CN1CCN(CCCOc2ccc(-c3cnc(OCC4CCCN(C(=O)C(C)(C)C)C4)nc3)cc2F)CC1,YQDUDMRUKVYDCG-UHFFFAOYSA-N
-rxn:4:213134:222541,CCC(C)(C)C(=O)N1CCC(Oc2ncc(-c3ccc(C(=O)NCCN4CCCCC4)cc3)cn2)CC1,BSDVPXDOAOCJLM-UHFFFAOYSA-N
-rxn:4:213134:223945,CCC(C)(C)C(=O)N1CCC(Oc2ncc(-c3ccc(OCCCN4CCOCC4)c(F)c3)cn2)CC1,BBJZWJBSLMHOCW-UHFFFAOYSA-N
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-rxn:4:213150:222719,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(-c3cc(C4CCCNC4)nc(C(F)(F)F)c3)cn2)CC1,AHSNBTODVYHFGP-UHFFFAOYSA-N
-rxn:4:213150:226825,Cc1cc(C(F)(F)F)c(Cl)cc1-c1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)nc1,RICKEKOYTNXNBJ-UHFFFAOYSA-N
-rxn:4:213158:222624,COc1cc(=O)n(C)cc1C(=O)N1CCC(Oc2ccncc2-c2cc(CC(C)C)nc(C3CCNCC3)c2)C1,VVFCLXNHHDWMFE-UHFFFAOYSA-N
-rxn:4:213168:223945,CC1CCN(C(=O)CSc2ccc(-c3ccc(-c4ccc(OCCCN5CCOCC5)c(F)c4)cc3)nn2)CC1,RJKBXZKWGGVOLB-UHFFFAOYSA-N
-rxn:4:213180:224569,Cc1cc(C(=O)N2CCC(COc3ncc(-c4cc(F)cc(OCC5CCCCC5)c4)cn3)CC2)c(C)o1,ZEAAVEXFHXJOJP-UHFFFAOYSA-N
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-rxn:4:213705:223597,O=C(c1cncc(-c2ccc(OCCN3CCC4(CC3)OCCO4)c(Cl)c2)c1)N1CCC(Oc2ccncc2Cl)C1,NZHFHBUGIUBAGN-UHFFFAOYSA-N
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-rxn:4:213805:224720,CC(C)(C)OC(=O)N1CCOC(c2ncc(-c3cn(C(=O)OC(C)(C)C)nc3C3CC3)cn2)C1,GGKBORUZDKJKDX-UHFFFAOYSA-N
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-rxn:4:213865:224722,Cc1noc(C)c1S(=O)(=O)N1CCC(Oc2ccncc2-c2ccnc(N(C)C(=O)OC(C)(C)C)c2)C1,ZGRSATHVEHVJHK-UHFFFAOYSA-N
-rxn:4:213868:222622,CCC(C)c1cc(-c2cnc(OC3CCCN(S(=O)(=O)c4cccc(Cl)c4)C3)nc2)cc(C2CCCNC2)n1,VSCMLZVSAUUYOS-UHFFFAOYSA-N
-rxn:4:213875:223931,CC(C)(C)OC(=O)N1CCN(c2cccc(-c3cc4ccc(Cl)cc4n3C(=O)OC(C)(C)C)n2)CC1,SXRUWDWBNHQHSM-UHFFFAOYSA-N
-rxn:4:213876:222770,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc(C(=O)NC4CCCC4)c(Cl)c3)nc2)CC1,KMADUBMGJQPNAX-UHFFFAOYSA-N
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-rxn:4:213894:225996,CCOc1ncc(C(F)(F)F)cc1-c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1,DBBMEFFFCCJDRZ-UHFFFAOYSA-N
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-rxn:4:213944:222524,CC1CN(C(=O)OC(C)(C)C)CCC1c1ncc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC(O)CC2)[nH]1,MDDRIQYGZJAIMH-UHFFFAOYSA-N
-rxn:4:213945:225359,COc1cc(-c2cn(C3CCN(C(=O)OC(C)(C)C)CC3C)cn2)c(C(F)(F)F)cc1OC,HBKNLPVUHBLGDM-UHFFFAOYSA-N
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-rxn:4:214003:224959,CN1CC(C(=O)N2CCC(Oc3ncccc3-c3ccc(OCC4CCCCO4)cc3)CC2)CC1=O,CTQMOSJEAUXYSZ-UHFFFAOYSA-N
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-rxn:4:214008:225898,CC(C)c1sc(-c2cnn(CCN3CCOCC3)c2)nc1C(=O)N1CCN(c2ccc(F)cc2)CC1,OAWDALAERWUYKS-UHFFFAOYSA-N
-rxn:4:214010:224773,Cc1cc(-c2ccccc2C(=O)n2nc(C)c(S(=O)(=O)N3CCOCC3)c2C)ccc1S(=O)(=O)N1CCCC1,NUGUDLSTIBMAJL-UHFFFAOYSA-N
-rxn:4:214012:222891,COc1cc(-c2ccccc2S(=O)(=O)N2CCC(S(=O)(=O)c3nccn3C)CC2)cc(C2CCNCC2)n1,QAKCLXJCDDUFPG-UHFFFAOYSA-N
-rxn:4:214012:225883,Cn1ccnc1S(=O)(=O)C1CCN(S(=O)(=O)c2ccccc2-c2cnc(C3CCOCC3)c(Cl)c2)CC1,DMAUQGORTWKUJG-UHFFFAOYSA-N
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-rxn:4:214024:228089,CCCOc1ncccc1-c1cnc(OC2CCN(C(=O)C3CCC(F)(F)CC3)CC2)nc1,ZKCIZPUVBRKGRV-UHFFFAOYSA-N
-rxn:4:214026:222800,Cc1cc(-c2cc(C(F)(F)F)cnc2N2CCCC(C(=O)N3CCOCC3)C2)cc(C)c1S(=O)(=O)NC(C)C,UETHMFNUPGCGKW-UHFFFAOYSA-N
-rxn:4:214027:222657,O=C(NC1CCCCC1)c1cc(-c2cnc(N3CCCC(C(=O)N4CCOCC4)C3)c(C(F)(F)F)c2)ccc1F,AJYKNZIZDVAWDV-UHFFFAOYSA-N
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-rxn:4:214033:225469,CC1CCCN(c2ccc(-c3cc(C4=N[C@@H](C(C)C)CO4)nc(C4=N[C@@H](C(C)C)CO4)c3)cc2)C1,CIFNPEWQAGZLFB-UNLZERHLSA-N
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-rxn:4:214033:226164,CC(C)[C@H]1COC(c2cc(-c3ccc(N4CCCCC4)cc3)cc(C3=N[C@@H](C(C)C)CO3)n2)=N1,HZYCUXGDTCOXNA-CLJLJLNGSA-N
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-rxn:4:214051:223167,CC(C)c1sc(-c2ccnc(N3CCNCC3)c2)nc1C(=O)N1CCN(C2CCS(=O)(=O)C2)CC1,XWXWQVJCAQMYQK-UHFFFAOYSA-N
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-rxn:4:214071:223288,CNS(=O)(=O)c1cccc(-c2cccc(C(=O)N3CCN(S(=O)(=O)N4CCCCCC4)CC3)c2)c1,MYXUCCFNMWECMY-UHFFFAOYSA-N
-rxn:4:214072:224746,CC(=O)N1CCN(c2ccc(-c3cccc(N4C(=O)CC(N5CCN(Cc6ccccc6)CC5)C4=O)c3)cn2)CC1,YEQIVZBMNPPGGG-UHFFFAOYSA-N
-rxn:4:214074:223159,CCNC(=O)c1ccc(-c2ccc(S(=O)(=O)n3nc(C)c(S(=O)(=O)N4CCCC(C)C4)c3C)cc2)cc1Cl,HUGTUPKAEDQUDD-UHFFFAOYSA-N
-rxn:4:214074:225736,CCCOc1c(OC)ccc(-c2ccc(S(=O)(=O)n3nc(C)c(S(=O)(=O)N4CCCC(C)C4)c3C)cc2)c1F,WALUMVNZYBTBDP-UHFFFAOYSA-N
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-rxn:4:214194:224591,CC1CCN(Cc2cc(-c3ccc4c(c3)c(OC(C)C(=O)N3CCOCC3)nn4C)ccc2Cl)CC1,YUCHKSONJAOVDC-UHFFFAOYSA-N
-rxn:4:214201:223520,CC(c1ccc(-c2ccc(N3CC4CC(C3)N4C(=O)OC(C)(C)C)nc2)cc1)N1CCN(C(=O)OC(C)(C)C)CC1,NLYFUWRMMGAICP-UHFFFAOYSA-N
-rxn:4:214201:226538,CCOC(=O)c1cc(Cl)ccc1-c1ccc(N2CC3CC(C2)N3C(=O)OC(C)(C)C)nc1,WLCMMFQUPNZTCK-UHFFFAOYSA-N
-rxn:4:214255:223583,COC(=O)c1ccc2c(-c3cn([Si](C(C)C)(C(C)C)C(C)C)c4ncnc(Cl)c34)cn(C(=O)OC(C)(C)C)c2c1,WHQCCDYNKYTDPB-UHFFFAOYSA-N
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-rxn:4:214288:224411,CN1C(=O)COc2ccc(C(=O)Cn3nc(-c4ccc(-c5ccc(S(=O)(=O)N(C)C)cc5C(F)(F)F)cc4)ccc3=O)cc21,YAABIJYZARLMEJ-UHFFFAOYSA-N
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-rxn:4:214640:224616,O=[N+]([O-])c1cncc(-c2ccccc2OCCN2CCOCC2)c1N1CCC(C(F)(F)F)CC1,IPWAEBMQRRXPQO-UHFFFAOYSA-N
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-rxn:4:214821:224325,CS(=O)(=O)N1CC=C(c2ccc(-c3cnc(N4CCCN(S(=O)(=O)C5CC5)CC4)c(F)c3)cc2)CC1,GILZQBJTQXQLSY-UHFFFAOYSA-N
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-rxn:4:214830:226685,O=C(C1CN(c2ccc(-c3cnc(C4CCOCC4)nc3)cn2)CCO1)N1CCSCC1,CQDQQVZPHWLHHG-UHFFFAOYSA-N
-rxn:4:214839:226474,CN(C)CCOc1cncc(-c2cnc(N3CCOC(C(=O)N4CCSCC4)C3)c(F)c2)c1,JZDSUHGDNRNKOB-UHFFFAOYSA-N
-rxn:4:214873:223240,O=C(C1CCCN(c2ncc(-c3ccc(C4CCNC4)nc3)cc2F)C1)N1CCOCC1,ZHQNJVOTFZQWGT-UHFFFAOYSA-N
-rxn:4:214873:223994,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cnc(N2CCCC(C(=O)N3CCOCC3)C2)c(F)c1,BUXFSZJNDUDGAA-UHFFFAOYSA-N
-rxn:4:214874:223974,CC1CCN(c2ccc(-c3cnc(N4CCOC(C(=O)N5CCCCC5)C4)c(F)c3)c(C(F)(F)F)c2)CC1,NEGXPMLDOJFTAE-UHFFFAOYSA-N
-rxn:4:214881:224411,CN(C)S(=O)(=O)c1ccc(-c2cccnc2N2CCC(C(=O)N3CCC(F)(F)CC3)CC2)c(C(F)(F)F)c1,BAEVTCGZBBJPKY-UHFFFAOYSA-N
-rxn:4:214883:228014,O=C(C1CCN(c2ccncc2-c2cccc(C3CC3)c2Cl)CC1)N1CCC(F)(F)CC1,RHPFSWHBYHFQCO-UHFFFAOYSA-N
-rxn:4:214884:226548,COC(=O)Cc1ccc(-c2cc(Cl)cnc2N2CCC(C(=O)N3CCC(F)(F)CC3)CC2)c(Cl)c1,QOYHRWLHHQZHNO-UHFFFAOYSA-N
-rxn:4:214886:226533,CCOC(=O)c1cc(F)ccc1-c1cnc(N2CCC(C(=O)N3CCC(F)(F)CC3)CC2)c(F)c1,FWBRZTKRXWNDIO-UHFFFAOYSA-N
-rxn:4:214888:226842,O=C(c1cncc(-c2cncc(C(=O)C(F)(F)F)c2)c1)N1CCC2(CC1)OC(=O)N(c1ccccc1)C2=O,INQSDZLKPRPKFO-UHFFFAOYSA-N
-rxn:4:214898:223773,COc1cccc2cc(-c3ccc(N4C(=O)CC(N5CCN(c6cccc(Cl)c6)CC5)C4=O)cc3)n(C(=O)OC(C)(C)C)c12,ZGEFKQALXKTLTP-UHFFFAOYSA-N
-rxn:4:215054:222639,C[C@H](NC(=O)OC(C)(C)C)c1ccc(-c2ncn3c2CCN(C(=O)OC(C)(C)C)C3=O)cc1,SBWCPDFKFMGALX-HNNXBMFYSA-N
-rxn:4:215075:222811,CC(C)(C)OC(=O)Nc1cc(-c2cnn(C3CC4CCC(C3)N4CC(F)(F)F)c2)cc(Cl)n1,LNSSHMSIWFOSIA-UHFFFAOYSA-N
-rxn:4:215097:224059,COc1c(-c2ncc3n2C(C)CN(C(=O)OC(C)(C)C)C3)cc(C(C)(C)C)cc1C(C)(C)C,DQDAHAZSQVZUGG-UHFFFAOYSA-N
-rxn:4:215102:223823,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cn4c(n3)CCN(C(=O)OC(C)(C)C)CC4)cn2)CC1,MQQMQWCEOQODFR-UHFFFAOYSA-N
-rxn:4:215106:222637,Cc1nn2c(c1-c1ccc(C(C)NC(=O)OC(C)(C)C)cc1)CN(C(=O)OC(C)(C)C)CC2,VDUOAGRPLDPFGW-UHFFFAOYSA-N
-rxn:4:215155:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(C(=O)N4CCC(c5nc6ccccc6[nH]5)CC4)o3)c(F)cc2C)CC1,RFKUKUFPNQKXKO-UHFFFAOYSA-N
-rxn:4:215158:222389,CC(C)(C)c1cc(C(F)(F)F)n2nc(-c3cccc(-c4cc(C5CCNCC5)nc(C5CCNCC5)c4)c3)cc2n1,FAEVCPCXSKGEDE-UHFFFAOYSA-N
-rxn:4:215170:224796,CC(C)(C)COS(=O)(=O)c1cncc(-c2cncc(C(=O)N3CC(N4C(=O)C5CC=CCC5C4=O)C3)c2)c1,VSXYTZMERIIYFD-UHFFFAOYSA-N
-rxn:4:215170:225530,CCN(CC)Cc1ccc(F)cc1-c1cncc(C(=O)N2CC(N3C(=O)C4CC=CCC4C3=O)C2)c1,CJWKNMJMQUEGHK-UHFFFAOYSA-N
-rxn:4:215197:222514,COc1ccc(-c2ccccc2S(=O)(=O)N2CCC3CN(c4ccccn4)CC32)cc1S(=O)(=O)NC1CCCCC1,JPIRHPQPWHTPAF-UHFFFAOYSA-N
-rxn:4:215197:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccccc1S(=O)(=O)N1CCC2CN(c3ccccn3)CC21,JBAUYFAKPPRKCT-UHFFFAOYSA-N
-rxn:4:215232:224624,CC(C)(C)COC(=O)c1ccc(Cl)cc1-c1ccc2ccc(N3CCCC(C(=O)N4CCOCC4)C3)nc2c1,ZXJFFSFXCPYVHJ-UHFFFAOYSA-N
-rxn:4:215239:224099,N#Cc1ccccc1CSc1ccc(-c2ccc(N3OC4C(=O)N(C5CCCCC5)C(=O)C4C3c3cccnc3)cc2)cc1,NCLFAOFYUFWIMV-UHFFFAOYSA-N
-rxn:4:215304:224660,Cc1ccc(C2=NN3C(C2)c2cc(-c4ccc(C(=O)N5CCN(C)CC5)cc4)ccc2OC32CCN(Cc3ccccc3)CC2)cc1,VVDUQUGVYUKRNB-UHFFFAOYSA-N
-rxn:4:215304:225394,Cc1ccc(C2=NN3C(C2)c2cc(-c4cc(C5CCC5)cc(C5CC5)c4)ccc2OC32CCN(Cc3ccccc3)CC2)cc1,LUVGINJACIUIBP-UHFFFAOYSA-N
-rxn:4:215310:224618,CC(=O)OC1=C2C(=Nc3c(c(=O)n(C)c(=O)n3C)C2c2ccc(-c3ccnc(CO[Si](C)(C)C(C)(C)C)c3)cc2)c2ccccc21,DRANGPJMOYHPSS-UHFFFAOYSA-N
-rxn:4:215789:222588,O=[N+]([O-])c1cncc(-c2ccc(OCCN3CCC(O)CC3)c(F)c2)c1N1CCCCC1,XXXFRZOVDWUESY-UHFFFAOYSA-N
-rxn:4:215789:223983,CCN1CCN(S(=O)(=O)c2ccccc2-c2cncc([N+](=O)[O-])c2N2CCCCC2)CC1,KQEDGBGNTHSPQH-UHFFFAOYSA-N
-rxn:4:215892:224395,CN1CCN(c2c(-c3cc(N4CCOCC4)cc(C(F)(F)F)c3)cccc2[N+](=O)[O-])CC1,DREUKLFXSQFCPL-UHFFFAOYSA-N
-rxn:4:215899:222695,Cc1ccc(-c2cnc(C3CCCN(S(C)(=O)=O)C3)cn2)cc1S(=O)(=O)NC1CCCC1,BFLATXUISOLOPI-UHFFFAOYSA-N
-rxn:4:215906:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1cncc(S(=O)(=O)N2CCN(C)CC2)c1,SJCBRKCCEPWVGU-UHFFFAOYSA-N
-rxn:4:215940:223755,CC1CCN(CCCOc2ccc(-c3ccc(N4CCC(N(C)C)CC4)cn3)cc2F)CC1,HGXNTPJZEPDCBH-UHFFFAOYSA-N
-rxn:4:215942:223785,CCN1CCN(CCOc2ccc(-c3ncccc3N3CCC(N(C)C)CC3)cc2Cl)CC1,UOWROARIMGEBLQ-UHFFFAOYSA-N
-rxn:4:215970:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3cnc(SC)nc3N3CCC4(CC3)OCCO4)cc2)CC1,HVGIGEYXFHJKOL-UHFFFAOYSA-N
-rxn:4:216231:224649,C=C1CC2CCC(C1)N2c1nc(SC)ncc1-c1cc(F)ccc1OCC1CCCCO1,WSAUCJCFENAUNT-UHFFFAOYSA-N
-rxn:4:217892:222426,Cc1nc(Cl)c2c(C)c(C)n(-c3c(C)cc(-c4ccc5c(c4)C4(CCN(C(=O)OC(C)(C)C)CC4)C(=O)N5)cc3C)c2n1,PDNRGIHFLPUNCA-UHFFFAOYSA-N
-rxn:4:218587:223084,N#Cc1ccc(S(=O)(=O)N2CCC(COc3ncc(-c4cnc(N5CCC(O)CC5)nc4)cn3)CC2)cc1,PMCPQCVBBBECPX-UHFFFAOYSA-N
-rxn:4:218587:223594,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)cc(-c3cnc(OCC4CCN(S(=O)(=O)c5ccc(C#N)cc5)CC4)nc3)c2)CC1,IZHXWURWVAEOLR-UHFFFAOYSA-N
-rxn:4:218587:225296,N#Cc1ccc(S(=O)(=O)N2CCC(COc3ncc(-c4ccc(S(=O)(=O)N5CCCC5)cc4)cn3)CC2)cc1,VUWYJNISZCVBBT-UHFFFAOYSA-N
-rxn:4:218588:225688,N#Cc1ccccc1S(=O)(=O)N1CCC(COc2ncc(-c3cnc(C4CCCCC4)c(Cl)c3)cn2)CC1,UCFVILDITWHDQK-UHFFFAOYSA-N
-rxn:4:218710:223185,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cnc(C5CNCCO5)nc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,UBOJRVSBNPISKN-UHFFFAOYSA-N
-rxn:4:218711:225864,CC(C)(C)OC(=O)N1CCN(C2CCN(c3ccc([N+](=O)[O-])cc3-c3cnc(Cl)c(-c4cccnc4)c3)CC2)CC1,DWUQATVHABJFSZ-UHFFFAOYSA-N
-rxn:4:218711:226813,CC(C)(C)OC(=O)N1CCN(C2CCN(c3ccc([N+](=O)[O-])cc3-c3ccc(-c4cncs4)nc3F)CC2)CC1,MXHURFOXVQFMOT-UHFFFAOYSA-N
-rxn:4:218711:226879,CC(C)(C)OC(=O)N1CCN(C2CCN(c3ccc([N+](=O)[O-])cc3-c3cnn(-c4ncc(Cl)cn4)c3)CC2)CC1,UDGQTFUYHFVOOD-UHFFFAOYSA-N
-rxn:4:218772:223058,O=C(CN1CCN(C(=O)Cn2ccc3cc(-c4cc(F)nc(C5CCCNC5)c4)ccc32)CC1)N1CCOCC1,HBBMNFRHVLXOML-UHFFFAOYSA-N
-rxn:4:218773:226253,CCCOc1cc(OC)cc(-c2ccc(-n3c(SCC(=O)N4CCN(c5ccccc5)CC4)nc4c(c3=O)SCC4)cc2)c1,AKAHJIKKZBKXLA-UHFFFAOYSA-N
-rxn:4:218785:225979,CCSc1nnc2c(n1)OC(c1ccc(OC)c(OC)c1)N(C(C)=O)c1ccc(-c3cnc(N4CCOCC4)c(Cl)c3)cc1-2,XRYZVNSYZCFXFW-UHFFFAOYSA-N
-rxn:4:218786:226472,CN(C)CCOc1cc(-c2cccc3c4c([nH]c23)CCN(C(=O)CCC(=O)N2CCN(S(C)(=O)=O)CC2)C4)ccn1,YESDKPBEIUEXLH-UHFFFAOYSA-N
-rxn:4:218846:222754,COc1ccc(C(=O)NC(C)(C)C)c(-c2cnc(OC3CCN(C(=O)CN4C(=O)CCC4=O)C3)nc2)c1,OONQXFMDHAKQGU-UHFFFAOYSA-N
-rxn:4:218851:224286,CN(c1cnc(-c2ccc(OCCN3CCOCC3)c(Cl)c2)cn1)C1CN(C(=O)OC(C)(C)C)C1,CMRPYWKEBGHBQU-UHFFFAOYSA-N
-rxn:4:218867:225794,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3cnc(OC4CCCCC4)nc3)c2)no1,PVKMHASNZVCIRJ-UHFFFAOYSA-N
-rxn:4:218868:225449,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3cccc(OC4CCCCC4)c3)cc2)no1,YVDRQZDHOCMDJN-UHFFFAOYSA-N
-rxn:4:218868:225825,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3ccc(N4CCN(C)CC4)nc3)cc2)no1,FYAJSKWAXSYHPB-UHFFFAOYSA-N
-rxn:4:218868:226141,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3ccccc3OC3CCCC3)cc2)no1,VYIVWNOWGURADQ-UHFFFAOYSA-N
-rxn:4:218868:226661,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3cc(N4CCN(C)CC4)cs3)cc2)no1,DJUANZIIZBVSRR-UHFFFAOYSA-N
-rxn:4:218945:227517,CC(C)(C)OC(=O)N1CCN(c2c(-c3ccc(OC4COC4)nc3)cncc2[N+](=O)[O-])CC1,XOQSUNDIVYLWCC-UHFFFAOYSA-N
-rxn:4:218948:223550,CC(C)c1cccc(C(C)C)c1OCc1ccccc1-c1cnc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)nc1,DIGNPDFOMYNZDG-UHFFFAOYSA-N
-rxn:4:218968:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3cncc(C(=O)N4CCCC(Cc5nc(C6CC6)no5)C4)c3)c2)CC1,FJKCNPDWTJGWNN-UHFFFAOYSA-N
-rxn:4:218992:222432,CS(=O)(=O)N1CCC(C(=O)N2CC(Cn3cc(-c4ccc(S(=O)(=O)NC5CCCCC5)c5ccccc45)cn3)C2)CC1,FSOQPRQHDNEEDD-UHFFFAOYSA-N
-rxn:4:219012:222947,CN(c1ncc(-c2cnc(N3CCCC(O)C3)nc2Cl)cn1)C1CCCN(C(=O)OC(C)(C)C)C1,YUXCDLFPVJPCGK-UHFFFAOYSA-N
-rxn:4:219028:224964,CC1CN(C(=O)c2cnn(C)c2-c2ccc(COC3CCOCC3)cc2)CCN1C(=O)OC(C)(C)C,LKJAMDROVLJHDC-UHFFFAOYSA-N
-rxn:4:219042:222486,CC1CN(C(=O)OC(C)(C)C)CCN1Cc1nn(C)cc1-c1cncc(-c2cncc(C3CCCCN3)c2)c1,CDGYDCVHXYNHIJ-UHFFFAOYSA-N
-rxn:4:219072:228082,CC(C)CCn1nccc1-c1cccc(-c2nnc(CC(=O)N3CCN(C4CCCCC4)CC3)o2)c1,ZUADDOZVECJPMI-UHFFFAOYSA-N
-rxn:4:219074:222656,COc1cccc(C(=O)N2CCCN(c3cc(-c4ccc(-c5ccc(C(=O)NC6CCCCC6)c(F)c5)cc4)n[nH]3)CC2)c1,XVNWYYYPMQNBHS-UHFFFAOYSA-N
-rxn:4:219096:224794,CCN(CC)S(=O)(=O)c1ccc(F)c(-c2cnn(CC3CN(C(=O)CN4C(=O)c5ccccc5C4=O)C3)c2)c1,MJRYYRSGKHGEBG-UHFFFAOYSA-N
-rxn:4:219107:223885,CCC(=O)C1=C(c2ccc(-c3ccc4c(c3)CN(C(=O)OC(C)(C)C)CC4)cc2)N(C(=O)CC)n2c(C)nnc2S1,NAOAUDJJEQZNPO-UHFFFAOYSA-N
-rxn:4:219184:225984,CCCN1CCN(C(=O)c2cc3n(n2)CC(c2ccc(-c4cnc(Cl)c(N5CCOCC5)c4)cc2)OC3)CC1,LHLYYLKBFOUFHW-UHFFFAOYSA-N
-rxn:4:219336:223927,C[Si](C)(C)CCOCn1c(-c2cnn(CC3CN(C(=O)N4CCOCC4)C3)c2)cc2cccnc21,CFDNXICCLSCMAA-UHFFFAOYSA-N
-rxn:4:219353:222604,COc1ccc(-c2cnc(OC3CCN(S(=O)(=O)N(C)C)CC3)nc2)cc1S(=O)(=O)NC1CCCC1,LACJQPUKHAVRCQ-UHFFFAOYSA-N
-rxn:4:219354:223695,CN(C1CCN(c2ncc(-c3cccc(S(=O)(=O)N4CCC5(CC4)OCCO5)c3)cn2)C1)S(=O)(=O)C1CC1,DURRXMROHRKDRU-UHFFFAOYSA-N
-rxn:4:219371:224624,CC(C)(C)COC(=O)c1ccc(Cl)cc1-c1nncn1C1CCN(C(=O)OC(C)(C)C)CC1,VJOJSEOLMRTEJM-UHFFFAOYSA-N
-rxn:4:219402:222730,CCCc1cc(-c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)cn2)cc(C2CCNCC2)n1,VVPSNSQJFROIAW-UHFFFAOYSA-N
-rxn:4:219406:223675,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cc(OCc4ccccc4)c(C(F)(F)F)cc3Cl)n2)CC1,KEZPSTCPOFEKAZ-UHFFFAOYSA-N
-rxn:4:219407:223100,CNS(=O)(=O)c1ccc(OC)c(-c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2)c1,BLQPUDJSQZLXKS-UHFFFAOYSA-N
-rxn:4:219414:226482,COCCOc1ncc(-c2cnc(N3CCOC(C(=O)N4CCCC4)C3)c(C#N)c2)cc1C,XNVXKAAEQRCHEL-UHFFFAOYSA-N
-rxn:4:219414:227496,CCN(C)c1cc(F)c(-c2cnc(N3CCOC(C(=O)N4CCCC4)C3)c(C#N)c2)cn1,APXPAWIBXZOANC-UHFFFAOYSA-N
-rxn:4:219436:227495,CCN(C)c1cc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)c(C#N)c2)c(F)cn1,WWOPKRIDYXAALN-UHFFFAOYSA-N
-rxn:4:219456:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1cnn(C2CCN(C(=O)OC(C)(C)C)CC2C)n1,SNPZTOPKQCMPFA-UHFFFAOYSA-N
-rxn:4:219471:227470,CCCOc1ncc(-c2cnc(SC)nc2N2CCOC(C(=O)N3CCCC3)C2)c(C)n1,YOCJUNISSGXZPG-UHFFFAOYSA-N
-rxn:4:219488:224619,C[C@H]1CN(C(=O)OC(C)(C)C)CCN1c1ncc(-c2ccc(OCCN3CCCC3)c(F)c2)cn1,KKWVBGJNIAADSL-IBGZPJMESA-N
-rxn:4:219506:225470,CC1CCN(c2ccc(-c3ccc(S(=O)(=O)N4CCCN(S(=O)(=O)c5c[nH]cn5)CC4)cc3)cc2)CC1,SWMQQTNQJLSZQI-UHFFFAOYSA-N
-rxn:4:219516:227491,CN1CC(CN2CCC(Oc3ncc(-c4cnc(OC5CCC5)nc4)cn3)CC2)CC1=O,DQQABNRNBCKERC-UHFFFAOYSA-N
-rxn:4:219530:224732,CC(C)(C)COS(=O)(=O)c1ccc(-c2cnc(OC3CCN(C4CCN(C5CC5)C4=O)CC3)nc2)cc1,BNJOWIBKLGPHHJ-UHFFFAOYSA-N
-rxn:4:219530:225928,Cc1ccc(-c2cnc(OC3CCN(C4CCN(C5CC5)C4=O)CC3)nc2)cc1S(=O)(=O)N(C)C,AYFHTIASRMWGFQ-UHFFFAOYSA-N
-rxn:4:219534:224120,Cc1cc(-c2cncc(C(=O)N3CCC(n4nc(C5CC5)ccc4=O)CC3)c2)ccc1CO[Si](C)(C)C(C)(C)C,NCSVQXIAJLPTAF-UHFFFAOYSA-N
-rxn:4:219534:224618,CC(C)(C)[Si](C)(C)OCc1cc(-c2cncc(C(=O)N3CCC(n4nc(C5CC5)ccc4=O)CC3)c2)ccn1,POGHRNVGYRDDOA-UHFFFAOYSA-N
-rxn:4:219536:224597,Cc1nc(S(=O)(=O)N2CCCN(C(=O)c3ccc(-c4cc(C5CC5)cc(N5CCOCC5)c4)o3)CC2)cn1C,UGDGYRAYDYNOEW-UHFFFAOYSA-N
-rxn:4:219552:229039,COc1nc(N2CCC(C(=O)N3CCC(F)(F)CC3)CC2)ncc1-c1cccc(Cl)c1C,ITLGODXKQQOWHO-UHFFFAOYSA-N
-rxn:4:219562:225201,O=C(c1cncc(-c2ccc(OC3CCCC3)c(F)c2F)c1)N1CCC(N2CC(=O)N(c3ccccc3)C2=O)CC1,FWAFHHPJVFUNKE-UHFFFAOYSA-N
-rxn:4:219565:226491,COCCOc1cc(Cl)cc(-c2ccc(S(=O)(=O)N3CCCN(c4nc(C)cc(C)c4C#N)CC3)cc2)c1,DCSRDHKQUHSFPR-UHFFFAOYSA-N
-rxn:4:219639:222684,CC(C)(C)OC(=O)N1CCC(c2nc3ccc(-c4ccc(OCCN5CCNCC5)c(Cl)c4)cn3n2)C1,IAEKEPRRZLOZET-UHFFFAOYSA-N
-rxn:4:219673:222582,COc1ccc(-c2cccc(C(=O)NCCN3CCOCC3)c2)c(C(=O)N2C3CCC2CC(n2ccnn2)C3)c1,RYNDUDAINFDAMC-UHFFFAOYSA-N
-rxn:4:219845:223589,Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1cnn(CC2CN(c3ncc(Cl)cc3F)C2)c1,IVCWMLOBJGHPKP-UHFFFAOYSA-N
-rxn:4:219856:223695,O=C(c1ccc(-c2cccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)o1)N1CCC(n2ccnn2)CC1,BUDMJUSSBDQLIA-UHFFFAOYSA-N
-rxn:4:219872:222606,COC(=O)c1nc(Cl)c(N2CCN(C)CC2)nc1-c1cccc(C(F)(F)F)c1C(=O)NC(C)(C)C,CHDMKBHKPGLUBD-UHFFFAOYSA-N
-rxn:4:219872:224956,COC(=O)c1nc(Cl)c(N2CCN(C)CC2)nc1-c1cccc(O[Si](C)(C)C(C)(C)C)c1,FTQOEJOCQDEELO-UHFFFAOYSA-N
-rxn:4:219903:223602,CC(C)N1CCN(c2ncc(-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3Cl)cc2[N+](=O)[O-])CC1,UWKYFQAOXWHKLH-UHFFFAOYSA-N
-rxn:4:219903:225114,CC(C)N1CCN(c2ncc(-c3csc(CO[Si](C)(C)C(C)(C)C)c3)cc2[N+](=O)[O-])CC1,ZFALUCLONIALCZ-UHFFFAOYSA-N
-rxn:4:219904:224391,Cc1cc(S(=O)(=O)N2CCOCC2)ccc1-c1cnc(C2CCN(S(=O)(=O)N(C)C)CC2)cn1,SYROZMZUPRRTCX-UHFFFAOYSA-N
-rxn:4:219998:226271,CN(C)C(C#N)c1ccccc1-c1cnc(N2CCC(C(=O)N3CCC(F)(F)CC3)CC2)nc1,VXBHTQICUMBZEZ-UHFFFAOYSA-N
-rxn:4:220034:223941,CC(C)CC(=O)N1CCn2nc(-c3ccc4c(c3)CC(=O)N4C(=O)OC(C)(C)C)nc2C1,ONDJMCRCGYIKKI-UHFFFAOYSA-N
-rxn:4:220125:224606,CCCOc1cc(-c2ccc(Cl)c(C(=O)N3C4CCC3CC(n3cncn3)C4)c2)cc(Cl)c1OC(C)C,PIIHJAYSCNRKEG-UHFFFAOYSA-N
-rxn:4:220131:223180,CONC(=O)c1ccc(-c2cnc(N3CC(N4CC5CCCC5C4)C3)c(C#N)c2)cc1F,VTDDTCOELDKNFF-UHFFFAOYSA-N
-rxn:4:220131:223576,CC(C)(C)OC(=O)N1CCC(Oc2cccc(-c3cnc(N4CC(N5CC6CCCC6C5)C4)c(C#N)c3)c2)CC1,FEYQIQSPSHJFHQ-UHFFFAOYSA-N
-rxn:4:220137:222701,O=S(=O)(C1CC1)N1CCN(c2ncc3cc(-c4cc(C5CCCNC5)cc(C(F)(F)F)c4)ccc3n2)CC1,IRTNBUQGODARIN-UHFFFAOYSA-N
-rxn:4:220194:225207,CCc1ccc(N2C(=O)C3N=NN(c4ccc(-c5cc(C6CC6)cc(C(F)(F)F)c5C)c(C)c4)C3C2=O)cc1,BOWJQNWBNCGJHL-UHFFFAOYSA-N
-rxn:4:220202:223502,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3ccc(Cl)c(C(=O)N4CCC(n5cnc6ncccc6c5=O)CC4)c3)cc2F)CC1,PAJDGEBMFZMOTC-UHFFFAOYSA-N
-rxn:4:220221:222715,CN1CCN(C(=O)c2cc3n(n2)CC(c2ccc(-c4cc(Cl)c(F)c(NC(=O)OC(C)(C)C)c4)cc2)OC3)CC1,SNBKDCXMLKUTHD-UHFFFAOYSA-N
-rxn:4:220221:222819,CN1CCN(C(=O)c2cc3n(n2)CC(c2ccc(-c4ccc(NC(=O)N5CCOCC5)nc4)cc2)OC3)CC1,XVJBGWFBVYEDDT-UHFFFAOYSA-N
-rxn:4:220268:224757,Cc1cc(C)c(C)c(C2=NON3N(C(=O)c4ccccc4-c4cc(Cl)cc(C(=O)N5CCOCC5)c4)c4ccccc4N23)c1C,OMXFNMZDONESDA-UHFFFAOYSA-N
-rxn:4:220413:223523,CCN1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCC(N(C)C)CC4)nc3)c3ccccc23)CC1,ZHCZKUVGXYFTLZ-UHFFFAOYSA-N
-rxn:4:220413:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3cnc(N4CCC(N(C)C)CC4)nc3)cc2)CC1,VMAHAQVPQSNVCX-UHFFFAOYSA-N
-rxn:4:220507:223602,CN1CCN(C(=O)c2cnc3ccc(-c4ccnc(N5CCN(C(=O)OC(C)(C)C)CC5)c4Cl)cn23)CC1,FMFHCXWDEFJMFL-UHFFFAOYSA-N
-rxn:4:220536:222602,CC(C)Cc1cc(-c2ccc3ncnc(N4CCN(C5CCC5)CC4)c3c2)c(S(=O)(=O)NC(C)(C)C)s1,PXYKUVUWIBLWSJ-UHFFFAOYSA-N
-rxn:4:220545:222630,c1cc2c(s1)CCN(C1CCN(c3ncc(-c4cc(C5CCC5)nc(C5CCNCC5)c4)cn3)CC1)C2,LFOKHIIIGFULNX-UHFFFAOYSA-N
-rxn:4:221094:224182,Cc1cc(-c2cnn(CC3CN(C(=O)Cn4cnc(C5CC5)cc4=O)C3)c2)ccc1OCCN1CCOCC1,ZRNXXVGMJCUNNK-UHFFFAOYSA-N
-rxn:4:221110:228726,CN1CCN(CC#CCOC2CCN(c3ncc(-c4ccc(Cl)c(C#N)c4)cn3)CC2)CC1,ADKYKBYISGKBMX-UHFFFAOYSA-N
-rxn:4:221153:222694,N#Cc1ccnc(OCC2CCCN(c3ncc(-c4cccc(S(=O)(=O)NC5CCCCC5)c4)cn3)C2)c1,OFRJVAFFWCCWOS-UHFFFAOYSA-N
-rxn:4:221169:222923,Cc1ccc(-c2cnc(OCC3CCCN(S(=O)(=O)c4cnn(C)c4)C3)nc2)cc1S(=O)(=O)NC1CC1,JCNGGXLLQPFPON-UHFFFAOYSA-N
-rxn:4:221173:223670,Cn1nc(C(=O)N2CCCC(COc3ncc(-c4cccnc4N4CCN(C(=O)OC(C)(C)C)CC4)cn3)C2)ccc1=O,RYQMUTNGQMSGFP-UHFFFAOYSA-N
-rxn:4:221175:223892,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4ccc(OCCCN5CCN(C)CC5)cc4)cn3)C2)C(=O)C1=O,XTDBJGHJCJNTNB-UHFFFAOYSA-N
-rxn:4:221180:224182,Cc1cc(-c2cnc(OCC3CCN(C(=O)c4cc(C)n(C)n4)CC3)nc2)ccc1OCCN1CCOCC1,BLOYRHHPDKLWJE-UHFFFAOYSA-N
-rxn:4:221181:223787,Cc1cc(C(=O)N2CCCC(COc3ncc(-c4ccc(OCCCN5CCN(C)CC5)c(F)c4)cn3)C2)nn1C,YSGYRESTQNETMS-UHFFFAOYSA-N
-rxn:4:221198:222740,CC(C)c1cc(-c2cnc(N3CCC(COc4ccc(C(C)(C)C)nn4)CC3)nc2)cc(C2CCCNC2)n1,MCQPCKYZILLDDM-UHFFFAOYSA-N
-rxn:4:221205:224393,FC(F)(F)c1ccc(N2CCOCC2)c(-c2ccc(CCN3CCN(c4ccnc(N5CCOCC5)n4)CC3)cc2)c1,NMDYSIRFYBHNIW-UHFFFAOYSA-N
-rxn:4:221209:225054,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4ccc(N5CCCCC5C)cc4Cl)cc3)CC2)n1,WVQDBIJJFPWILR-UHFFFAOYSA-N
-rxn:4:221232:223754,CC1CCN(CCCOc2ccc(-c3cnc(OCC4CCCN(c5nc6c(cc5C#N)COCC6)C4)nc3)cc2Cl)CC1,ZROJLNRCLXYALT-UHFFFAOYSA-N
-rxn:4:221240:222787,Cn1nc2c(c1CN1CCCC(COc3ncc(-c4ccc(NC(=O)OC(C)(C)C)cc4Cl)cn3)C1)CCC2,QPUVREZWNLZZHO-UHFFFAOYSA-N
-rxn:4:221244:224803,CC(C)Oc1ccc(OC(F)(F)F)c(-c2ccccc2CC(=O)N2CCC(c3nnc4ccc(C5CC5)nn34)CC2)c1,LZACIVAAGWHADW-UHFFFAOYSA-N
-rxn:4:221249:222699,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc4c(-c5ccc(C6CCCNC6)c(C(F)(F)F)c5)cnn4c3)cc2)CC1,FXLGFZAXJHGTRZ-UHFFFAOYSA-N
-rxn:4:221252:224493,CCC1CCCCN1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(-c2ccc(CO[Si](C)(C)C(C)(C)C)cc2)cc1,PDGMZDFKNRPLCY-UHFFFAOYSA-N
-rxn:4:221254:223683,CC(=O)c1ccc(N2CCN(c3ncnc4c3c(-c3ccccc3)cn4-c3ccc(-c4cnc(OC5CCN(C(=O)OC(C)(C)C)C5)nc4)cc3)CC2)cc1,NLXPGTSTQVHGDW-UHFFFAOYSA-N
-rxn:4:221326:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnn(CC4CN(C(=O)c5cc(C)n(C)n5)C4)c3)c(F)c2)CC1,HFKOHVLBTRSFFD-HCGLCNNCSA-N
-rxn:4:221351:223699,O=c1ccc(C2CC2)nn1CC1CN(c2ncc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3C(F)(F)F)cn2)C1,VCWXTLGDMMAFJC-UHFFFAOYSA-N
-rxn:4:221375:223787,CN1CCN(CCCOc2ccc(-c3cnc(OCC4CCCN(c5cc(=O)n(C)cn5)C4)nc3)cc2F)CC1,FHHLICLBYOBIDL-UHFFFAOYSA-N
-rxn:4:221394:224731,CC(C)(C)COS(=O)(=O)c1cccc(-c2cnc(N3CCC(Cn4nc(C5CC5)ccc4=O)CC3)nc2)c1,LEGQPFAVGSJSQR-UHFFFAOYSA-N
-rxn:4:221395:223994,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cnc(N2CCC(Cn3cnc(C4CC4)cc3=O)CC2)nc1,LSIURUSTRBCWBD-UHFFFAOYSA-N
-rxn:4:221395:224615,O=c1cc(C2CC2)ncn1CC1CCN(c2ncc(-c3cccc(OCCN4CCOCC4)c3)cn2)CC1,FONFSOSQDTVXKB-UHFFFAOYSA-N
-rxn:4:221399:224126,CCN1CCN(C(C)c2cccc(-c3ccccc3CN3CCN(c4ccc(N(C)C)nn4)CC3)c2)CC1,AKUJSTWGYIXPGK-UHFFFAOYSA-N
-rxn:4:221406:222588,CN(C)c1cc(N2CCN(Cc3cccc(-c4ccc(OCCN5CCC(O)CC5)c(F)c4)c3)CC2)ncn1,KTJLSQQLHWMFCH-UHFFFAOYSA-N
-rxn:4:221421:223768,CC(C)(C)OC(=O)n1cc(-c2cccc(C(=O)N3CCN(c4ccc(N5CCOCC5)nn4)CC3)c2)c2ccc(C#N)cc21,LDGUHMXDTBTGAR-UHFFFAOYSA-N
-rxn:4:221425:223056,OC1CCN(c2ccc(-c3cccc(CN4CCN(c5nccc(N6CCOCC6)n5)CC4)c3)cn2)CC1,ARALWCAIBPLKOG-UHFFFAOYSA-N
-rxn:4:221429:222809,CC(C)(C)OC(=O)Nc1cnc(Cl)cc1-c1ccc(CN2CCN(c3nccc(N4CCOCC4)n3)CC2)cc1,DVQHAEHSQNDSMI-UHFFFAOYSA-N
-rxn:4:221432:222846,Cc1cc(N2CCCC2)nc(N2CCN(C(=O)c3cccc(-c4cc(C5CCCNC5)ccc4C#N)c3)CC2)n1,IUJMGNXFMJTOOR-UHFFFAOYSA-N
-rxn:4:221445:222797,Cc1ccc(S(=O)(=O)NC(C)(C)C)c(-c2cccc(CN3CCN(c4cc(C)nc(N5CCOCC5)n4)CC3)c2)c1,ZFHUXWIVVGJQGR-UHFFFAOYSA-N
-rxn:4:221449:227905,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccnc(CC(C)C)c4)cc3)CC2)n1,JYRNECJNFPMOAA-UHFFFAOYSA-N
-rxn:4:221455:222950,CONS(=O)(=O)c1cc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCCCCC5)nn4)CC3)cc2)ccc1OC,SQILJDVKUVJIQV-UHFFFAOYSA-N
-rxn:4:221455:223669,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc(C(=O)N4CCN(c5ccc(N6CCCCCC6)nn5)CC4)cc3)cn2)CC1,ISDHWHVRBCHVJK-UHFFFAOYSA-N
-rxn:4:221455:225187,O=C(c1ccc(-c2cc(Cl)ccc2CN2CCOCC2)cc1)N1CCN(c2ccc(N3CCCCCC3)nn2)CC1,KBWJURPDAQYSGQ-UHFFFAOYSA-N
-rxn:4:221503:223592,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(OCC4CCN(c5cnc6ccccc6n5)CC4)nc3)c(Cl)c2)CC1,VZLPTQUEUMYTDO-UHFFFAOYSA-N
-rxn:4:221507:223520,CC(c1ccc(-c2cnc(OCC3CCCN(c4ncnc5c4CCC5)C3)nc2)cc1)N1CCN(C(=O)OC(C)(C)C)CC1,QCBDAXPNNOWOBU-UHFFFAOYSA-N
-rxn:4:221528:222889,CC(C)c1sc(-c2cc(F)cc(CN3CCNCC3)c2)nc1C(=O)N1CCN(c2nc3ccccc3n2C)CC1,CORZQTOQPSEFPX-UHFFFAOYSA-N
-rxn:4:221561:223789,CCC(C)n1c(C)cn2c3c(=O)n(Cc4ccc(-c5cc(O[Si](C)(C)C(C)(C)C)cc(C(=O)OC)c5)cc4)c(=O)n(C)c3nc12,QWFGOAVGPRUVCP-UHFFFAOYSA-N
-rxn:4:221566:223959,CCc1ccc(N2CCn3c2nc2c3c(=O)n(Cc3ccc(-c4ccc(Cl)c(C(=O)N5CCN(CC)CC5)c4)cc3)c(=O)n2C)cc1,CUKMEOUNYFTFJN-UHFFFAOYSA-N
-rxn:4:221631:223489,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CC(n5nc(-c6ccccc6)ccc5=O)C4)nc3)cc2)CC1,QMHXGWORPHLBAB-UHFFFAOYSA-N
-rxn:4:221702:224590,CC1CCN(Cc2ccc(-c3nc4c(c(=O)n(C)c(=O)n4C)n3CCN3CCOCC3)c(F)c2)CC1,SNICJLRYJSEOSL-UHFFFAOYSA-N
-rxn:4:221736:224656,COc1ccc(-c2cncc(C(=O)N3CC4CN(c5nc(C)nc6c5CCC6)CC4C3)c2)c(F)c1OC1CCCC1,DXSHPLKOCDYJCI-UHFFFAOYSA-N
-rxn:4:221742:223755,CCCn1c(=O)c2c(nc3n2CCCN3c2ccc(-c3ccc(OCCCN4CCC(C)CC4)c(F)c3)cc2)n(C)c1=O,NYQZZZALXNDRNN-UHFFFAOYSA-N
-rxn:4:221792:226011,CC1CN(C2CCCCC2)c2nc3c(c(=O)n(Cc4ccc(-c5cc(F)ccc5OCC(F)(F)F)cc4)c(=O)n3C)n2C1,RWFDZTCYRPRMTH-UHFFFAOYSA-N
-rxn:4:221826:223504,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(N4CCC(n5cnc6ccccc65)C4)nc3)cc2[N+](=O)[O-])CC1,YUHPDZYVSILGLL-UHFFFAOYSA-N
-rxn:4:221836:225210,Cc1nc(N2CCC(C)CC2)ncc1-c1cnc(N2CCCN(C3=NS(=O)(=O)c4ccccc43)CC2)nc1,AZNVPJDPFOAIAV-UHFFFAOYSA-N
-rxn:4:221967:223474,CC(=O)C(C(=O)N(C)C)n1cnc2c(nnn2-c2ccc(-c3ccc(OCc4ccccc4)c(C45CC6CC(CC(C6)C4)C5)c3)cc2)c1=O,ZMWZSIQUVILQIG-UHFFFAOYSA-N
-rxn:4:221971:225204,Cc1c(-c2cnc(OCC3CCN(Cc4nnc5n4CCC5)CC3)nc2)cc(C(F)(F)F)cc1C1CC1,YKJIHYLLKIRANP-UHFFFAOYSA-N
-rxn:4:221980:225883,CC(C)(C)OC(=O)N1CCN(c2cc(=O)n3nc(-c4cncc(-c5cnc(C6CCOCC6)c(Cl)c5)c4)sc3n2)CC1,STNZAMAHIWNMTE-UHFFFAOYSA-N
-rxn:4:222046:224325,CCc1c(C)nc(C2CC2)nc1N1CCN(c2ncc(-c3ccc(C4=CCN(S(C)(=O)=O)CC4)cc3)cn2)CC1,YBKONQSXPSRESC-UHFFFAOYSA-N
-rxn:4:222047:224056,CCC[C@H]1CC[C@H](c2ccc(-c3ccc(-n4cnnn4)cc3C(=O)N3CCN(c4ccc(C)cc4C)CC3)c(F)c2)CC1,NLNQFVKAXATZRR-MCZWQBSQSA-N
-rxn:4:222108:222925,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C7CNC7)c(C(F)(F)F)c6)cc5)no4)C3C2=O)cc1F,HPWCQBZSAHVMPN-UHFFFAOYSA-N
-rxn:4:222113:224789,CCCOc1cc(OC(F)(F)F)cc(-c2ccc(-n3nnc4c(=O)n(CC(=O)N5CC(C)OC(C)C5)cnc43)cc2)c1,QPSNTTFKPMDKPS-UHFFFAOYSA-N
-rxn:4:222123:223115,CC(=O)NCCc1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc7c(c6)CCC7)C(=O)C54)n3)cc2)cc1,GSOSKJYYXCVRIW-UHFFFAOYSA-N
-rxn:4:222153:222389,Cc1nc(C(F)F)cc(N2CCN(c3ncc(-c4cc(C5CCNCC5)nc(C5CCNCC5)c4)cn3)CC2)n1,VNIUVUPQYWHLRD-UHFFFAOYSA-N
-rxn:4:222168:224022,c1nc(C2CCOCC2)cc(N2CCN(c3ncc(-c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)cn3)CC2)n1,ZCICSVDCWRHCCA-UHFFFAOYSA-N
-rxn:4:222330:223697,Cc1nc(C)c(-c2ccc(N3CCN(c4ncc(-c5ccc(S(=O)(=O)N6CCCCC6)cc5C(F)(F)F)cn4)CC3)nn2)s1,BHPDTTSEZSGURP-UHFFFAOYSA-N
-rxn:4:222335:223679,CCN1CCN(S(=O)(=O)c2c(C)cc(-c3cnc(N4CCN(c5cc(C)nc(N6CCCC6)n5)CC4)nc3)cc2C)CC1,HJIPBXUAXIILTP-UHFFFAOYSA-N
-rxn:4:222367:224292,Cc1cc(-c2cnc(N3CCN(c4ncnc5c4ncn5CC4CCCO4)CC3)nc2)ccc1S(=O)(=O)OCC(C)(C)C,ANJJACFYYAZHDI-UHFFFAOYSA-N
-rxn:4:222389:215786,FCC1CCCN(c2ncc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)cn2)C1,FHKWIFUSBIULQT-UHFFFAOYSA-N
-rxn:4:222432:217905,Cc1ccc(C2=NN3C(C2)c2cc(-c4ccc(S(=O)(=O)NC5CCCCC5)c5ccccc45)ccc2OC32CCN(C)CC2)o1,SLKRBSDGRNIMEM-UHFFFAOYSA-N
-rxn:4:222581:207856,CC(C)NS(=O)(=O)c1ccc(-c2ccc3c(c2)CCCC3N2CCN(C(C)C)CC2)c2ccccc12,AGNVNXHPPQGGPI-UHFFFAOYSA-N
-rxn:4:222910:215103,CCCNS(=O)(=O)c1ccc(-c2cn3c(n2)CN(C(=O)OC(C)(C)C)CCC3)c(C)c1,PURGYPFFKYLVHO-UHFFFAOYSA-N
-rxn:4:222940:185353,CC(C)(C)NS(=O)(=O)c1cncc(-c2ccc(CC(=O)N3CCC(S(=O)(=O)C(C)(C)C)C3)cc2)c1,BORGUFNGZAZZFP-UHFFFAOYSA-N
-rxn:4:222942:214064,CS(=O)(=O)N1CCN(Cc2ccc(-c3ccc(S(=O)(=O)NC4CC4)c(F)c3)cc2N2CCOCC2)CC1,AZGCQCFRFVMZMX-UHFFFAOYSA-N
-rxn:4:223071:204756,CCS(=O)(=O)NCc1ccc(-c2ccc(C(=O)N3CC(N4CC5CCCC5C4)C3)cc2)cc1,OEXFQDNLWRQNAO-UHFFFAOYSA-N
-rxn:4:223080:215295,CC(C)NS(=O)(=O)c1ccc(-c2cnc3n2CCc2ccccc2C32CCN(C(=O)OC(C)(C)C)CC2)cc1,IUWWUANKKMDJMP-UHFFFAOYSA-N
-rxn:4:223490:215748,Cc1ccc(-c2csc(-c3cnc(C4CCC4)nc3)n2)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,HKIYYKHPRVMDDR-UHFFFAOYSA-N
-rxn:4:223570:199858,Cc1ccc(Sc2c(C)nn(C(C)(C)C)c2OC(=O)c2ccc(-c3c(F)ncc4c3ccn4[Si](C(C)C)(C(C)C)C(C)C)cc2)cc1,MVISJVTYJAMYFY-UHFFFAOYSA-N
-rxn:4:223830:214167,CCN1CCN(S(=O)(=O)c2cc(-c3cncc(C(=O)OC4CN(c5nc6c(C)cccc6s5)C4)c3)ccc2C)CC1,BLQIRUHUAJEADH-UHFFFAOYSA-N
-rxn:5:176856:225498:225448,COC(=O)c1cc(-c2cc(C)ccc2OC2CCCC2)cc(-c2cc(C3CCCCC3)ccc2F)c1OC,RIOTXCSOZVUZBS-UHFFFAOYSA-N
-rxn:5:177185:225976:223062,CC(C)OC(=O)c1cc(-c2ccnc(N3CCOCC3)c2F)ccc1-c1cnc(C2CCNCC2)cc1F,LDCQRZQELRTYCU-UHFFFAOYSA-N
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-rxn:5:177191:223064:225603,N#CC1(c2cccc(-c3ccc(CC(=O)C4CC4)c(-c4ccc(C5CCNCC5)nc4F)c3)c2F)CCC1,NKMOFKSZFAAMNZ-UHFFFAOYSA-N
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-rxn:5:177891:226181:227507,O=C(SC1CS(=O)(=O)CC1c1cccc(C=C[N+](=O)[O-])c1)c1ccccc1-c1ccc(C2=CCCCC2)nc1,JTCMHQLULGLWNN-UHFFFAOYSA-N
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-rxn:5:178117:227568:225453,COc1cc(F)c(-c2ccc(-c3cccc(SC4CCCCC4)c3)c(OCC3CCOCC3)c2)c(OC)c1,XPAQYUSIDUJROU-UHFFFAOYSA-N
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-rxn:5:178119:226068:226146,Cc1cc(C(C)(C)C)cc(C)c1-c1cc(C(=O)OC(C)(C)C)cc(C)c1-c1ccc(SC2CCCC2)cc1,VXSYSIHYAPYTQF-UHFFFAOYSA-N
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-rxn:5:178224:225498:227562,COc1ccc(F)c(-c2cc(OCC3CCCCC3)cc(-c3cc(C4CCCCC4)ccc3F)c2)c1OC,LKWHMYDNDRQMEL-UHFFFAOYSA-N
-rxn:5:178278:223062:222957,Cc1cc(-c2ccc(OS(=O)(=O)c3cc(C)c(-c4cnc(C5CCNCC5)cc4F)cc3C)cc2)cc(C2CCCNC2)c1,DLVSAZQFAWKCSY-UHFFFAOYSA-N
-rxn:5:178295:223284:227052,COC(=O)C1(c2cc(-c3ccc(SC(C)(C)C)cc3)ccc2-c2ccc(NS(C)(=O)=O)cc2)CCC(=O)CC1,MUADBWJQUFZZFC-UHFFFAOYSA-N
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-rxn:5:178295:225886:227107,COC(=O)C1(c2cc(-c3cc(C)cc(C4CC4)c3F)ccc2-c2ccc3c(ccn3S(C)(=O)=O)c2)CCC(=O)CC1,GRAYSXVQASHFJZ-UHFFFAOYSA-N
-rxn:5:178295:225886:227409,COC(=O)C1(c2cc(-c3cc(C(C)(C)C)ncc3F)ccc2-c2ccc3c(ccn3S(C)(=O)=O)c2)CCC(=O)CC1,CINYPJFYQKDCGZ-UHFFFAOYSA-N
-rxn:5:178295:226084:228625,CCc1ccc(-c2ccc(-c3ccc4c(c3)C(=O)CCCC4)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)c1,LKBHFDLJAJQHNG-UHFFFAOYSA-N
-rxn:5:178295:226085:227821,CCc1c(C)cc(C)cc1-c1ccc(-c2ccc3c(c2)CCC(C)(C)O3)c(C2(C(=O)OC)CCC(=O)CC2)c1,FZVYUUZQIMTUER-UHFFFAOYSA-N
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-rxn:5:178295:226150:228555,COCc1ccccc1-c1ccc(-c2cccc(SC3CCCC3)c2)c(C2(C(=O)OC)CCC(=O)CC2)c1,YGCZJJOPNKFEIR-UHFFFAOYSA-N
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-rxn:5:178295:226461:225440,COC(=O)C1(c2cc(-c3ccc(C4(C#N)CCCC4)cc3)ccc2-c2cncc3c2ccn3C(C)=O)CCC(=O)CC1,NSYKCNDRKGZQFL-UHFFFAOYSA-N
-rxn:5:178295:226959:228177,COCc1ccc(F)cc1-c1ccc(-c2ccc3c(c2)CC(C)(C)O3)c(C2(C(=O)OC)CCC(=O)CC2)c1,TUWDKLXTLMSWGT-UHFFFAOYSA-N
-rxn:5:178295:227040:227808,COC(=O)C1(c2cc(-c3ccc4c(c3)CCCC4)ccc2-c2cc(C)ccc2OC(C)C)CCC(=O)CC1,UKBHBDFWLCQSPW-UHFFFAOYSA-N
-rxn:5:178295:227047:228179,COCc1cc(F)cc(-c2ccc(-c3cccc(SC4CCC4)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,XCODXGDDWLPPCL-UHFFFAOYSA-N
-rxn:5:178295:227054:228279,CCc1cc(F)c(-c2ccc(-c3ccc(C4CC4)c(OC)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)c1,MZXMPSNKGKETAV-UHFFFAOYSA-N
-rxn:5:178295:227065:223189,COC(=O)C1(c2cc(-c3ccc(NS(C)(=O)=O)cc3F)ccc2-c2cccc(C(=O)C(C)C)c2)CCC(=O)CC1,MOGCDXVXMXJKQN-UHFFFAOYSA-N
-rxn:5:178295:227068:223287,CNS(=O)(=O)c1ccc(-c2ccc(-c3ccc(CC(C)C)cc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc1,RTGICXAKEASQIL-UHFFFAOYSA-N
-rxn:5:178295:227073:227819,CCc1cc(CC)cc(-c2ccc(-c3cc(OC)cc(C4CC4)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,ZICALLNVSTYEED-UHFFFAOYSA-N
-rxn:5:178295:227076:225507,CCC(C)c1ccc(F)c(-c2ccc(-c3ccc4c(c3)CCC4C(=O)OC)cc2C2(C(=O)OC)CCC(=O)CC2)c1,GVNYIBAVDOYEBJ-UHFFFAOYSA-N
-rxn:5:178295:227077:227935,CCc1cc(-c2ccc(-c3ccc(C(C)CC)cc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)ccc1OC,VPEUJIURRWJSST-UHFFFAOYSA-N
-rxn:5:178295:227079:223288,CNS(=O)(=O)c1cccc(-c2ccc(-c3cc(CC(C)C)ccc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,VZKQVJYOSRVMSS-UHFFFAOYSA-N
-rxn:5:178295:227079:227821,CCc1c(C)cc(C)cc1-c1ccc(-c2cc(CC(C)C)ccc2F)c(C2(C(=O)OC)CCC(=O)CC2)c1,KYTWGBHXQOSYJZ-UHFFFAOYSA-N
-rxn:5:178295:227314:227935,CCc1cc(-c2ccc(-c3ccc(CC(C)C)nc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)ccc1OC,RKNGORVTAWGCAI-UHFFFAOYSA-N
-rxn:5:178295:227560:228567,CCC(C)c1sccc1-c1ccc(-c2ccc(OC)c(C(F)F)c2)c(C2(C(=O)OC)CCC(=O)CC2)c1,YLLFTZCIMVAJDK-UHFFFAOYSA-N
-rxn:5:178295:227568:227820,COC(=O)C1(c2cc(-c3ccc(C(C)(C)C)cc3)ccc2-c2c(F)cc(OC)cc2OC)CCC(=O)CC1,MVWACAOAQIIIHS-UHFFFAOYSA-N
-rxn:5:178295:227717:227815,CCC(C)c1ccccc1-c1ccc(-c2ccc(F)cc2OC(F)F)c(C2(C(=O)OC)CCC(=O)CC2)c1,KYSODXCNYFERJA-UHFFFAOYSA-N
-rxn:5:178295:227807:227052,COC(=O)C1(c2cc(-c3ccc(SC(C)(C)C)cc3)ccc2-c2cccc3c2CCCC3)CCC(=O)CC1,WIZBSDFGQQQFFC-UHFFFAOYSA-N
-rxn:5:178295:227815:227038,CCC(C)c1ccccc1-c1ccc(-c2cc(C(C)C)ccc2OC)cc1C1(C(=O)OC)CCC(=O)CC1,OZXGROYIXPJCHG-UHFFFAOYSA-N
-rxn:5:178295:227831:226973,CCc1c(C)cc(-c2ccc(-c3ccc4c(c3)C(C)(C)CO4)cc2C2(C(=O)OC)CCC(=O)CC2)cc1C,MHEVSMZQBSAAOG-UHFFFAOYSA-N
-rxn:5:178295:228099:227045,CCN(C)c1cncc(-c2ccc(-c3cccc(SC(C)(C)C)c3)cc2C2(C(=O)OC)CCC(=O)CC2)c1,HRJBTKBYTPHYKA-UHFFFAOYSA-N
-rxn:5:178295:228157:226150,COC(=O)C1(c2cc(-c3cccc(SC4CCCC4)c3)ccc2-c2ccc(OC)cc2OC)CCC(=O)CC1,OAOWUTVZKBATPO-UHFFFAOYSA-N
-rxn:5:178295:228189:227352,CCSc1ccc(F)c(-c2ccc(-c3cc(C)ccc3C(=O)OC)cc2C2(C(=O)OC)CCC(=O)CC2)c1,GMPKCOSUHFQBNK-UHFFFAOYSA-N
-rxn:5:178295:228258:227103,COC(=O)C1(c2cc(-c3sccc3C3CCCCC3)ccc2-c2c(C)ccc(F)c2OC)CCC(=O)CC1,RECCDMVZQRPKQN-UHFFFAOYSA-N
-rxn:5:178295:228412:227076,CCC(C)c1ccc(F)c(-c2ccc(-c3cc(OC)c(F)cc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,XAHPGDOQZNJGKK-UHFFFAOYSA-N
-rxn:5:178295:228515:226215,CCc1cccc(C)c1-c1ccc(-c2ccc3c(c2)CC/C3=N\OC)cc1C1(C(=O)OC)CCC(=O)CC1,SKPTVJWIVHSAGI-VBMGMRCRSA-N
-rxn:5:178295:228567:226067,CCC(C)c1sccc1-c1ccc(-c2ccc(C3=CCCCC3)cc2)cc1C1(C(=O)OC)CCC(=O)CC1,GNPIADBKSRVMOP-UHFFFAOYSA-N
-rxn:5:178295:228567:226762,CCC(C)c1sccc1-c1ccc(-c2cc(SC)cc(C(F)(F)F)c2)cc1C1(C(=O)OC)CCC(=O)CC1,NZLSXZBINUZARZ-UHFFFAOYSA-N
-rxn:5:178313:225407:226971,CC(C)(C)[Si](C)(C)Oc1ccc(-c2ccc(C3CCCCCC3)cc2)c(-c2ccc3c(c2)CCCOC3)c1,IAKXTKCWBNKVQB-UHFFFAOYSA-N
-rxn:5:178313:226146:225498,CC(C)(C)[Si](C)(C)Oc1ccc(-c2ccc(SC3CCCC3)cc2)c(-c2cc(C3CCCCC3)ccc2F)c1,ZVHOOWPEZDUFBZ-UHFFFAOYSA-N
-rxn:5:178313:227066:225499,CC(C)(C)[Si](C)(C)Oc1ccc(-c2cccc(C(=O)C3CC3)c2)c(-c2ccc(C3CCCCC3)cc2F)c1,QTOOYGMTZYFEQX-UHFFFAOYSA-N
-rxn:5:178314:227052:225395,CC(C)(C)Sc1ccc(-c2ccc(-c3cc(C4CC4)cc(C(C)(C)C)c3)c(O[Si](C)(C)C(C)(C)C)c2)cc1,BEGOZLFVFDDBGG-UHFFFAOYSA-N
-rxn:5:178315:222405:225784,CC(C)(C)[Si](C)(C)Oc1cc(-c2ccc(CN3CCOCC3)nc2)cc(-c2cccc(C3NC(=O)NC3=O)c2)c1,OSLYIAUONFQUNO-UHFFFAOYSA-N
-rxn:5:178315:226060:226190,CC(C)(C)[Si](C)(C)Oc1cc(-c2cc(C3CC3)cc(C3CC3)c2)cc(-c2ccc(C3CCCC3)cc2F)c1,KIXCGPCHRPWJRA-UHFFFAOYSA-N
-rxn:5:178466:223006:223062,CC(C)OC(=O)c1sc2cc(-c3ccc(F)c(C4CCNCC4)c3)ccc2c1-c1cnc(C2CCNCC2)cc1F,TZDBHPBYNAXCHS-UHFFFAOYSA-N
-rxn:5:178466:223058:225980,CC(C)OC(=O)c1sc2cc(-c3cc(F)nc(C4CCCNC4)c3)ccc2c1-c1cc(N2CCOCC2)ncc1F,VJFHDFNDXSLEKT-UHFFFAOYSA-N
-rxn:5:178466:223058:226662,CC(C)OC(=O)c1sc2cc(-c3cc(F)nc(C4CCCNC4)c3)ccc2c1-c1ccc(N2CCN(C)CC2)s1,YWKZHUGVFXRLRG-UHFFFAOYSA-N
-rxn:5:178466:223061:223006,CC(C)OC(=O)c1sc2cc(-c3cc(C4CCNCC4)ncc3F)ccc2c1-c1ccc(F)c(C2CCNCC2)c1,BGESMAXCYCZZGN-UHFFFAOYSA-N
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-rxn:5:178466:223061:225593,CC(C)OC(=O)c1sc2cc(-c3cc(C4CCNCC4)ncc3F)ccc2c1-c1cc(F)cc(CN2CCCC2)c1,BNKZJCMHHCYTDP-UHFFFAOYSA-N
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-rxn:5:179396:225987:225805,CC(c1ccc(-c2cc(-c3ccc(N4CCCS4(=O)=O)cc3)ccc2C(=O)C2CC2)s1)N1CCOCC1,WNKVJXJJJSXPLZ-UHFFFAOYSA-N
-rxn:5:180421:222958:225439,Cc1ccc(-c2cc(CC3CCCCC3)ccc2-c2cccc(C(C)N3CCCC3)c2)cc1C1CCNCC1,SJTKANVQGNOREZ-UHFFFAOYSA-N
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-rxn:5:181905:225462:225639,Cc1ccc(-c2cccnc2N2CCC(C)CC2)c(C2OCCO2)c1-c1cccc(N2CCC(C)CC2)c1,RRHGKNQSUQBREM-UHFFFAOYSA-N
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-rxn:5:181906:222981:226686,Cc1ccc(-c2ccnc(NC3CCCCC3)c2)c(C2OCCO2)c1-c1c(C)cnn1C1CCCCO1,WPAXEOWYBDFCMI-UHFFFAOYSA-N
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-rxn:5:182009:226686:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(-c2c(C)cnn2C2CCCCO2)c(C2CCOCC2)c1,QBWKJQWVNJVUEQ-UHFFFAOYSA-N
-rxn:5:182010:225407:225638,CC1CCN(c2ccc(-c3ccc(C4CCOCC4)c(-c4ccc(C5CCCCCC5)cc4)c3)cn2)CC1,VLQRTHPSVYPZJO-UHFFFAOYSA-N
-rxn:5:182012:225438:222959,Cc1cc(-c2ccc(-c3ccc(C(C)N4CCCC4)cc3)cc2C2CCCOC2)ccc1C1CCNCC1,QYCXUWWTJKRRPN-UHFFFAOYSA-N
-rxn:5:182012:225638:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(-c2ccc(N3CCC(C)CC3)nc2)cc1C1CCCOC1,LKERXRAVBCXHNB-UHFFFAOYSA-N
-rxn:5:182012:225832:226364,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2ccc(N3CCCCC3)nc2)c(C2CCCOC2)c1,XQJUJPCSRJOMBW-UHFFFAOYSA-N
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-rxn:5:188932:223139:223147,COC(=O)c1cc(-c2ccc(C3CNCCO3)cc2)c(S(N)(=O)=O)c(-c2ccc(C3CCNCC3)nc2)c1,CXGIQJSFJHCXMO-UHFFFAOYSA-N
-rxn:5:189001:223001:225976,COC(=O)C1(c2nc(-c3ccnc(N4CCOCC4)c3F)ccc2-c2cc(C3CCCNC3)ccc2F)CC1,KXTRWYREZGDDPN-UHFFFAOYSA-N
-rxn:5:189001:223062:225870,COC(=O)C1(c2nc(-c3cc(F)cc(N4CCOCC4)c3)ccc2-c2cnc(C3CCNCC3)cc2F)CC1,ORFYKWTZOQYWQT-UHFFFAOYSA-N
-rxn:5:189001:223062:226431,COC(=O)C1(c2nc(-c3ccc(N4CCCC4)c(F)c3)ccc2-c2cnc(C3CCNCC3)cc2F)CC1,DAKFIZQRJMFLNU-UHFFFAOYSA-N
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-rxn:5:189001:225976:223001,COC(=O)C1(c2nc(-c3cc(C4CCCNC4)ccc3F)ccc2-c2ccnc(N3CCOCC3)c2F)CC1,KASHZHSWAVWHED-UHFFFAOYSA-N
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-rxn:5:189662:222986:227710,Cc1cc(-c2cnc(-c3ccc(OS(C)(=O)=O)cc3)c(OCC3CCOCC3)c2)cc(C2CCCNC2)n1,UBTGGETYHCWMBS-UHFFFAOYSA-N
-rxn:5:189662:227432:225987,Cc1nc(C2COC2)ccc1-c1cnc(-c2ccc(N3CCCS3(=O)=O)cc2)c(OCC2CCOCC2)c1,MFJMUAFBANNPBH-UHFFFAOYSA-N
-rxn:5:189665:222987:227710,Cc1nc(C2CCNCC2)ccc1-c1cnc(OCC2CCOCC2)c(-c2ccc(OS(C)(=O)=O)cc2)c1,LDHMMPXQTHAGSU-UHFFFAOYSA-N
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-rxn:5:189672:226190:225407,CC(C)(C)S(=O)/N=C/c1cccc(-c2ccc(C3CCCC3)cc2F)c1-c1ccc(C2CCCCCC2)cc1,FICRNWVKLDIPRA-HWLOXFRGSA-N
-rxn:5:189673:225407:225407,CC(C)(C)S(=O)/N=C/c1ccc(-c2ccc(C3CCCCCC3)cc2)cc1-c1ccc(C2CCCCCC2)cc1,YUDDXEGVAZLGJC-ACPRRRJJSA-N
-rxn:5:189674:225407:223203,CC(C)(C)S(=O)/N=C/c1ccc(-c2cccc(C3(O)CCC3)c2)cc1-c1ccc(C2CCCCCC2)cc1,CJELUHNFNNWVNI-JWHWKPFMSA-N
-rxn:5:189675:225407:226918,CC(C)(C)S(=O)/N=C/c1cc(-c2ccc(C3=CCCC3)cc2)ccc1-c1ccc(C2CCCCCC2)cc1,DSBUECBSEJQBJG-YRRMYEEHSA-N
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-rxn:5:189718:222421:226374,NS(=O)(=O)c1cncc(-c2cc(OC3CCOCC3)c([N+](=O)[O-])cc2-c2cncnc2C2CCCCC2)c1,PWCUBBCGTOCFKJ-UHFFFAOYSA-N
-rxn:5:189829:226140:227045,COc1ccc(C(C)(C)C)cc1-c1cc(C(=O)N2CCCC2)cc(-c2cccc(SC(C)(C)C)c2)c1OC,XCAWHKBESZBKJU-UHFFFAOYSA-N
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-rxn:5:189952:225784:227316,COc1c(-c2ccc(CN3CCOCC3)nc2)cc(C(=O)N2CCOCC2)cc1-c1cc(F)nc(CC(C)C)c1,GRJXCXCURWMINC-UHFFFAOYSA-N
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-rxn:5:190000:228003:225461,CSc1cc(C)c(-c2cc(-c3ccc(N4CCCCC4)cc3C)ccc2CC(=O)N2CCCCC2)c(C)c1,KZUDBQGJHLKOJO-UHFFFAOYSA-N
-rxn:5:190001:223061:228567,CCC(C)c1sccc1-c1ccc(CC(=O)N2CCCCC2)cc1-c1cc(C2CCNCC2)ncc1F,PUVAPYZULDOISH-UHFFFAOYSA-N
-rxn:5:190001:223062:228567,CCC(C)c1sccc1-c1ccc(CC(=O)N2CCCCC2)cc1-c1cnc(C2CCNCC2)cc1F,IAKSDCQXXZLQKR-UHFFFAOYSA-N
-rxn:5:190001:225440:227052,CC(C)(C)Sc1ccc(-c2ccc(CC(=O)N3CCCCC3)cc2-c2ccc(C3(C#N)CCCC3)cc2)cc1,QQVZKIUUAVGBBN-UHFFFAOYSA-N
-rxn:5:190001:226067:227588,COc1cc(F)cc(OC)c1-c1ccc(CC(=O)N2CCCCC2)cc1-c1ccc(C2=CCCCC2)cc1,HLIWHBCNUBFNSH-UHFFFAOYSA-N
-rxn:5:190127:225453:227371,COc1c(C)ccc(-c2ccc(-c3cccc(SC4CCCCC4)c3)cc2C(=O)N2CCC(OC)CC2)c1OC,NRGGXCFHSANMTI-UHFFFAOYSA-N
-rxn:5:190127:225982:223112,COC1CCN(C(=O)c2cc(-c3cnc(N4CCOCC4)cc3F)ccc2-c2c(C(C)C)ccc3[nH]ncc23)CC1,BISAARZHSBJCBP-UHFFFAOYSA-N
-rxn:5:190128:225453:227917,CCc1ccc(OC)c(-c2cc(C(=O)N3CCC(OC)CC3)ccc2-c2cccc(SC3CCCCC3)c2)c1,AORRVCGTMRIALQ-UHFFFAOYSA-N
-rxn:5:190128:226069:225886,COC1CCN(C(=O)c2ccc(-c3cccc(C4CCCCC4)c3)c(-c3ccc4c(ccn4S(C)(=O)=O)c3)c2)CC1,RAQRRNLBWVKKEP-UHFFFAOYSA-N
-rxn:5:190131:225453:227933,CCc1ccc(OC)cc1-c1cc(C(=O)N2CCCCC2)cc(-c2cccc(SC3CCCCC3)c2)c1OC,ZOGFOCIHTYXHSU-UHFFFAOYSA-N
-rxn:5:190131:225499:227932,COCc1ccc(C)c(-c2cc(C(=O)N3CCCCC3)cc(-c3ccc(C4CCCCC4)cc3F)c2OC)c1,IGOQBMPJOPZWRP-UHFFFAOYSA-N
-rxn:5:190132:226150:228179,COCc1cc(F)cc(-c2cc(-c3cccc(SC4CCCC4)c3)ccc2C(=O)N2CCC(OC)CC2)c1,JCLUTICDPGIPAD-UHFFFAOYSA-N
-rxn:5:190194:225453:226778,COc1cc(-c2c(CN3CCC(OC)CC3)cccc2-c2cccc(SC3CCCCC3)c2)c(F)c(F)c1OC,PIRBNPFVMDURGQ-UHFFFAOYSA-N
-rxn:5:190194:226152:226146,COc1cc(C2CC2)cc(-c2cccc(CN3CCC(OC)CC3)c2-c2ccc(SC3CCCC3)cc2)c1C,IPLXMWIPFPUHFC-UHFFFAOYSA-N
-rxn:5:190194:227574:225618,COc1c(F)ccc(-c2cccc(CN3CCC(OC)CC3)c2-c2cccc(OC3CCCCO3)c2)c1OC,PVMRVQWXNOTETM-UHFFFAOYSA-N
-rxn:5:190195:223113:226364,CN(Cc1ccc(-c2ccc3c(c2)C(C)(C)C(=O)N3)c(-c2ccc(N3CCCCC3)nc2)c1)C1CCOCC1,MCJGWOPDPNNANC-UHFFFAOYSA-N
-rxn:5:190199:222417:226583,CC(C)c1[nH]c(=O)ncc1-c1ccc(-c2ccc(CN3CCOCC3)s2)cc1CN(C)C1CCOCC1,XWYXUNJZUFCVPB-UHFFFAOYSA-N
-rxn:5:190264:227045:227065,CC1CCN(C(=O)Cc2ccc(-c3cccc(C(=O)C(C)C)c3)c(-c3cccc(SC(C)(C)C)c3)c2)CC1,FYENXWNQPMCMOV-UHFFFAOYSA-N
-rxn:5:190265:223062:228567,CCC(C)c1sccc1-c1ccc(CC(=O)N2CCCC(C)C2)cc1-c1cnc(C2CCNCC2)cc1F,CXPFHWVOWDSEGL-UHFFFAOYSA-N
-rxn:5:190265:225886:225464,CC1CCCN(C(=O)Cc2ccc(-c3cccc(N4CCCC(C)C4)c3)c(-c3ccc4c(ccn4S(C)(=O)=O)c3)c2)C1,RLCSLTQFOLMJGU-UHFFFAOYSA-N
-rxn:5:190265:227048:223183,CNS(=O)(=O)c1ccc(-c2ccc(CC(=O)N3CCCC(C)C3)cc2-c2ccc(C(=O)C(C)C)cc2)c(C)c1,NKFXBWTVMLRLLR-UHFFFAOYSA-N
-rxn:5:190265:228567:223061,CCC(C)c1sccc1-c1cc(CC(=O)N2CCCC(C)C2)ccc1-c1cc(C2CCNCC2)ncc1F,KFFQZMXPUXBULM-UHFFFAOYSA-N
-rxn:5:190265:228567:223062,CCC(C)c1sccc1-c1cc(CC(=O)N2CCCC(C)C2)ccc1-c1cnc(C2CCNCC2)cc1F,DFBDBPJOSWDKEZ-UHFFFAOYSA-N
-rxn:5:190309:226150:227561,COc1cc(F)c(-c2ccc(-c3cccc(SC4CCCC4)c3)cc2CCN2CCCCC2C)cc1OC,KUJPOXGPPRVVLB-UHFFFAOYSA-N
-rxn:5:190335:225451:227922,CCc1cc(OC)ccc1-c1cc(C(=O)N2CCCCC2C)cc(-c2ccc(SC3CCCCC3)cc2)c1OC,ITJHKTOHNASUEQ-UHFFFAOYSA-N
-rxn:5:190335:225499:227933,CCc1ccc(OC)cc1-c1cc(C(=O)N2CCCCC2C)cc(-c2ccc(C3CCCCC3)cc2F)c1OC,LJOKIUPGLIXXGH-UHFFFAOYSA-N
-rxn:5:190336:227052:227935,CCc1cc(-c2cc(C(=O)N3CCCC(C)C3)cc(-c3ccc(SC(C)(C)C)cc3)c2OC)ccc1OC,GTVWKGKRUBWTMH-UHFFFAOYSA-N
-rxn:5:190337:225453:227056,COc1cccc(C2CC2)c1-c1cc(C(=O)N2CCC(C)CC2)cc(-c2cccc(SC3CCCCC3)c2)c1OC,OTEFSCYFGJFWJT-UHFFFAOYSA-N
-rxn:5:190459:226058:223286,CC(C)c1cccc(C(C)C)c1-c1ccccc1C(=O)N1CCSC(c2ccccc2-c2cccc(NS(C)(=O)=O)c2)CC1,PIKZWRUUIXMHQG-UHFFFAOYSA-N
-rxn:5:190484:225395:227863,CC(C)(C)c1cc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4ccc5c(c4)CCCO5)S(=O)(=O)CC3)c2)cc(C2CC2)c1,UIIMYEHMPNJCGC-UHFFFAOYSA-N
-rxn:5:190484:226058:227968,CC(C)c1cccc(C(C)C)c1-c1cccc(C(=O)N2CCC(c3ccccc3-c3cnccc3C3CCC3)S(=O)(=O)CC2)c1,CCKXDCTYEBRTJN-UHFFFAOYSA-N
-rxn:5:190484:226062:228582,CC(C)c1cc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4cnccc4C(C)C)S(=O)(=O)CC3)c2)cc(C(C)C)c1,VKJFWUCSZQWVAD-UHFFFAOYSA-N
-rxn:5:190484:227052:227968,CC(C)(C)Sc1ccc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4cnccc4C4CCC4)S(=O)(=O)CC3)c2)cc1,MSWIVEZKQAIZNM-UHFFFAOYSA-N
-rxn:5:190484:227824:226183,O=C(c1cccc(-c2ccc(C3CCC3)cc2)c1)N1CCC(c2ccccc2-c2cnccc2C2CCCCC2)S(=O)(=O)CC1,HCAKDCAKGVPZPY-UHFFFAOYSA-N
-rxn:5:190484:227898:227408,CC(C)Cc1cncc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4cc(C5CCC5)ncc4F)S(=O)(=O)CC3)c2)c1,AINYKPQLEAAKIY-UHFFFAOYSA-N
-rxn:5:190484:227926:226437,CC(C)Sc1ccc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4cc(C5CCCC5)ncc4F)S(=O)(=O)CC3)c2)cc1,AHGVDCBARUGUOB-UHFFFAOYSA-N
-rxn:5:190484:228339:223139,COC(=O)c1cnccc1-c1cccc(C(=O)N2CCC(c3ccccc3-c3ccc(C4CCNCC4)nc3)S(=O)(=O)CC2)c1,WKDWDIYJLMSHNI-UHFFFAOYSA-N
-rxn:5:190484:228616:226137,CSc1ccc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4cc(C5CC5)cnc4C(C)C)S(=O)(=O)CC3)c2)c(C)c1,RRSCFEYLWZJYIP-UHFFFAOYSA-N
-rxn:5:190532:225607:223061,CCOC(=O)c1sc2c(-c3ccc(C(C)N4CCCCC4)s3)nccc2c1-c1cc(C2CCNCC2)ncc1F,ZCMISOYYDISHIA-UHFFFAOYSA-N
-rxn:5:190583:223061:225607,CCOC(=O)c1cc2cc(-c3cc(C4CCNCC4)ncc3F)c(-c3ccc(C(C)N4CCCCC4)s3)cc2[nH]1,UNBZYQORVLYGCS-UHFFFAOYSA-N
-rxn:5:190583:223062:225805,CCOC(=O)c1cc2cc(-c3cnc(C4CCNCC4)cc3F)c(-c3ccc(C(C)N4CCOCC4)s3)cc2[nH]1,AWBBDUGWRFEBHY-UHFFFAOYSA-N
-rxn:5:190583:225607:223061,CCOC(=O)c1cc2cc(-c3ccc(C(C)N4CCCCC4)s3)c(-c3cc(C4CCNCC4)ncc3F)cc2[nH]1,VXIILAYRQLSDES-UHFFFAOYSA-N
-rxn:5:190584:226662:225943,CCOC(=O)c1cc2c(-c3ccc(C(=O)N4CCOCC4)s3)cc(-c3ccc(N4CCN(C)CC4)s3)cc2[nH]1,RUIAZRZJFOQEGV-UHFFFAOYSA-N
-rxn:5:190586:223061:225607,CCOC(=O)c1cc2c(-c3cc(C4CCNCC4)ncc3F)c(-c3ccc(C(C)N4CCCCC4)s3)ccc2[nH]1,JZMVBQRCVZWCJB-UHFFFAOYSA-N
-rxn:5:190587:223058:225805,CCOC(=O)c1cc2c(-c3cc(F)nc(C4CCCNC4)c3)ccc(-c3ccc(C(C)N4CCOCC4)s3)c2[nH]1,SKVVCWYQPJBEAT-UHFFFAOYSA-N
-rxn:5:190588:225805:223058,CCOC(=O)c1cc2c(-c3cc(F)nc(C4CCCNC4)c3)ccc(-c3ccc(C(C)N4CCOCC4)s3)c2[nH]1,SKVVCWYQPJBEAT-UHFFFAOYSA-N
-rxn:5:190589:223058:225607,CCOC(=O)c1[nH]c2cccc(-c3ccc(C(C)N4CCCCC4)s3)c2c1-c1cc(F)nc(C2CCCNC2)c1,QILIWTYZUVQTTI-UHFFFAOYSA-N
-rxn:5:190589:223062:225607,CCOC(=O)c1[nH]c2cccc(-c3ccc(C(C)N4CCCCC4)s3)c2c1-c1cnc(C2CCNCC2)cc1F,DYQUACSMDWTSTE-UHFFFAOYSA-N
-rxn:5:190680:226150:225451,CC(=O)Oc1cn(C(C)=O)c2ccc(-c3cccc(SC4CCCC4)c3)c(-c3ccc(SC4CCCCC4)cc3)c12,JEFBZQYAPODXAL-UHFFFAOYSA-N
-rxn:5:190740:223061:225456,CCOC(=O)c1cnc2c(C)cc(-c3cc(C4CCNCC4)ncc3F)cc2c1-c1ccc(C2CCN(C)CC2)cc1,FORGSUIZFFGMQT-UHFFFAOYSA-N
-rxn:5:190740:223061:225514,CCOC(=O)c1cnc2c(C)cc(-c3cc(C4CCNCC4)ncc3F)cc2c1-c1cccc2c1OCC1(CC1)CO2,KUVMFUDYURNEDM-UHFFFAOYSA-N
-rxn:5:190740:223061:225593,CCOC(=O)c1cnc2c(C)cc(-c3cc(C4CCNCC4)ncc3F)cc2c1-c1cc(F)cc(CN2CCCC2)c1,RXYFKMPXZZDOHC-UHFFFAOYSA-N
-rxn:5:190740:223061:225600,CCOC(=O)c1cnc2c(C)cc(-c3cc(C4CCNCC4)ncc3F)cc2c1-c1cccnc1OC1CCCCC1,OTDJHSDSYOGEKG-UHFFFAOYSA-N
-rxn:5:190740:223061:225666,CCOC(=O)c1cnc2c(C)cc(-c3cc(C4CCNCC4)ncc3F)cc2c1-c1cc(F)cc(N2CCCCC2)c1,ORIWMMSKCALZLW-UHFFFAOYSA-N
-rxn:5:190740:223062:225439,CCOC(=O)c1cnc2c(C)cc(-c3cnc(C4CCNCC4)cc3F)cc2c1-c1cccc(C(C)N2CCCC2)c1,NSBUTQYTVDVJOY-UHFFFAOYSA-N
-rxn:5:190740:223062:225514,CCOC(=O)c1cnc2c(C)cc(-c3cnc(C4CCNCC4)cc3F)cc2c1-c1cccc2c1OCC1(CC1)CO2,BZTBZWIPGGRHDD-UHFFFAOYSA-N
-rxn:5:190740:223062:225633,CCOC(=O)c1cnc2c(C)cc(-c3cnc(C4CCNCC4)cc3F)cc2c1-c1ccc(N2CCCCCC2)nc1,YNEYHNFRXJBZPW-UHFFFAOYSA-N
-rxn:5:190740:223064:223004,CCOC(=O)c1cnc2c(C)cc(-c3ccc(C4CCNCC4)nc3F)cc2c1-c1ccc(C2CCNCC2)c(F)c1,YITADBGXESFFFF-UHFFFAOYSA-N
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-rxn:5:193382:226661:227279,CC(C)n1nc(C2CC2)cc1-c1cc(-c2cc(N3CCN(C)CC3)cs2)ccc1S(=O)(=O)N1CCOCC1,RIZHDXRVJNSQAI-UHFFFAOYSA-N
-rxn:5:193382:227438:225982,O=S(=O)(c1ccc(-c2ccnc(C3CCOC3)c2)cc1-c1cnc(N2CCOCC2)cc1F)N1CCOCC1,IXLCOJLTHGLGEB-UHFFFAOYSA-N
-rxn:5:193382:227803:223138,CN(C)S(=O)(=O)n1nccc1-c1ccc(S(=O)(=O)N2CCOCC2)c(-c2ccnc(C3CCNCC3)c2)c1,QRQQTYRTLNMDHZ-UHFFFAOYSA-N
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-rxn:5:193464:223189:226148,C[Si](C)(C)C#Cc1cccc(-c2cc(-c3ccc(NS(C)(=O)=O)cc3F)ccc2C2(C#N)CCCCC2)c1,RLUNKARWPWKABT-UHFFFAOYSA-N
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-rxn:5:193506:223311:227656,O=C1CCN(S(=O)(=O)c2ccc(-c3cccc(C4CNC4)c3)cc2-c2cc(N3CCOCC3)cs2)CC1,HPCODPHMHKODEL-UHFFFAOYSA-N
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-rxn:5:193506:227507:223138,O=C1CCN(S(=O)(=O)c2ccc(-c3cccc(C=C[N+](=O)[O-])c3)cc2-c2ccnc(C3CCNCC3)c2)CC1,PYDURCWNQMOOAA-UHFFFAOYSA-N
-rxn:5:193537:226181:226686,Cc1cnn(C2CCCCO2)c1-c1cccc(CN2CCCCC2)c1-c1ccc(C2=CCCCC2)nc1,CFUOHHIIMHIEKG-UHFFFAOYSA-N
-rxn:5:193751:225666:225886,CC1CCCN(C(=O)c2cc(-c3ccc4c(ccn4S(C)(=O)=O)c3)ccc2-c2cc(F)cc(N3CCCCC3)c2)C1,WQWPDZJVRGCXGY-UHFFFAOYSA-N
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-rxn:5:193756:226746:227377,CCc1cnc(C(F)(F)F)cc1-c1ccc(C(=O)N2CCCCC2C)c(-c2cncnc2C2CCCC2)c1,LUMJIAIEEZNEPK-UHFFFAOYSA-N
-rxn:5:193756:227352:226164,COC(=O)c1ccc(C)cc1-c1ccc(C(=O)N2CCCCC2C)c(-c2ccc(N3CCCCC3)cc2)c1,JQZRKUWWSJNXLV-UHFFFAOYSA-N
-rxn:5:193756:227512:225834,COC(=O)c1cc(-c2ccc(C(=O)N3CCCCC3C)c(-c3cc(N4CCCCC4)ncc3F)c2)c(C)cn1,RBJOBUNGGQCFLE-UHFFFAOYSA-N
-rxn:5:193808:223062:227506,CC1CCN(Cc2cc(-c3cnc(C4CCNCC4)cc3F)ccc2-c2cccc(/C=C/[N+](=O)[O-])c2)CC1,BMURGTFZZDHGPG-LFIBNONCSA-N
-rxn:5:193809:225451:227587,COc1cc(-c2cc(-c3ccc(SC4CCCCC4)cc3)ccc2CN2CCC(C)CC2)cc(F)c1OC,QYXQQTVXISESAJ-UHFFFAOYSA-N
-rxn:5:193866:225445:228616,CSc1ccc(-c2cc(C3(N4CCC(=O)CC4)CC3)ccc2-c2ccccc2OC2CCCCC2)c(C)c1,NAVXDFQOYWHLJZ-UHFFFAOYSA-N
-rxn:5:193866:226334:225886,Cc1cc(C(=O)N(C)C)cc(-c2ccc(C3(N4CCC(=O)CC4)CC3)cc2-c2ccc3c(ccn3S(C)(=O)=O)c2)c1,XOLOBKSBXHMVIV-UHFFFAOYSA-N
-rxn:5:193866:228003:226129,CSc1cc(C)c(-c2ccc(C3(N4CCC(=O)CC4)CC3)cc2-c2cccc(CN3CCCC3)c2)c(C)c1,NVEYHJRVRRYUCN-UHFFFAOYSA-N
-rxn:5:193866:228435:226211,CSc1ccc(F)c(F)c1-c1ccc(C2(N3CCC(=O)CC3)CC2)cc1-c1ccc2c(c1)CCN2C(C)=O,HOIVLKGUTCITNP-UHFFFAOYSA-N
-rxn:5:193867:223149:225976,CCOc1cc2cn[nH]c2cc1-c1cc(-c2ccnc(N3CCOCC3)c2F)cc(C2(N3CCC(=O)CC3)CC2)c1,WMVGSTJUWYUOHD-UHFFFAOYSA-N
-rxn:5:193867:225886:226750,COc1ccc(C(F)(F)F)cc1-c1cc(-c2ccc3c(ccn3S(C)(=O)=O)c2)cc(C2(N3CCC(=O)CC3)CC2)c1,XOWCKZCXUAZVIF-UHFFFAOYSA-N
-rxn:5:193869:227506:227438,Cc1cc(-c2cccc(/C=C/[N+](=O)[O-])c2)c(S(=O)(=O)N2CCCCC2)cc1-c1ccnc(C2CCOC2)c1,LEFLFRVHEDGQBR-NTEUORMPSA-N
-rxn:5:193870:223148:226427,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cc(N3CCC(C)CC3)cs2)cc1-c1ccccc1C1CNCCO1,LIOZEESXRBWJPY-UHFFFAOYSA-N
-rxn:5:193870:226973:227045,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cccc(SC(C)(C)C)c2)cc1-c1ccc2c(c1)C(C)(C)CO2,YAOLDAMIEBHKHO-UHFFFAOYSA-N
-rxn:5:193932:223287:226059,CNS(=O)(=O)c1ccc(-c2cc(C(=O)N3CC(C)CC(C)C3)ccc2-c2ccc(C(C)C)cc2C(C)C)cc1,WMZDWQSOPQBRRX-UHFFFAOYSA-N
-rxn:5:193932:227052:223284,CC1CC(C)CN(C(=O)c2ccc(-c3ccc(NS(C)(=O)=O)cc3)c(-c3ccc(SC(C)(C)C)cc3)c2)C1,KQCIWEGIPPUSIT-UHFFFAOYSA-N
-rxn:5:193968:227045:225886,CC(C)(C)Sc1cccc(-c2ccc(-c3ccc4c(ccn4S(C)(=O)=O)c3)c(CN3CCC4(CC3)OCCO4)c2)c1,LJHWYOKVWZUSAF-UHFFFAOYSA-N
-rxn:5:193968:227670:225886,CC(F)(F)c1cc(F)cc(-c2ccc(-c3ccc4c(ccn4S(C)(=O)=O)c3)c(CN3CCC4(CC3)OCCO4)c2)c1,BYABMALCDYODKL-UHFFFAOYSA-N
-rxn:5:193972:222420:223146,Cc1cc(-c2ccccc2S(N)(=O)=O)c(S(=O)(=O)N2CCCCCC2)cc1-c1cccc(C2CNCCO2)c1,XHIYFUZLEAPMEX-UHFFFAOYSA-N
-rxn:5:193972:223202:227052,Cc1cc(-c2ccc(C3(O)CCC3)cc2)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc(SC(C)(C)C)cc1,XUCLBFOCSINBNW-UHFFFAOYSA-N
-rxn:5:193972:226059:225886,Cc1cc(-c2ccc(C(C)C)cc2C(C)C)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc2c(ccn2S(C)(=O)=O)c1,BYEZRRDLZJXDKL-UHFFFAOYSA-N
-rxn:5:193972:227901:227045,Cc1cc(-c2ccc(CC(C)C)nc2)c(S(=O)(=O)N2CCCCCC2)cc1-c1cccc(SC(C)(C)C)c1,JPXUTZWNVTXZAL-UHFFFAOYSA-N
-rxn:5:193972:227985:226973,Cc1cc(-c2ccc(F)c(C(C)C)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc2c(c1)C(C)(C)CO2,WTOVIMCBAIVIBW-UHFFFAOYSA-N
-rxn:5:194058:225805:222987,Cc1nc(C2CCNCC2)ccc1-c1cc2[nH]cc(OS(=O)(=O)[O-])c2cc1-c1ccc(C(C)N2CCOCC2)s1,ILPFJLKLTBBIMF-UHFFFAOYSA-M
-rxn:5:194058:225805:226571,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2cnn(CC3CCOCC3)c2)s1)N1CCOCC1,HJBDPYXISXJLBI-UHFFFAOYSA-M
-rxn:5:194782:227838:226374,Cc1ccc(C2CC2)c(-c2ccc(-c3cncnc3C3CCCCC3)c(C(=O)N3CCC4(CC3)CC(=O)c3ccccc3O4)c2)c1,XDNQRMLTSAKOMK-UHFFFAOYSA-N
-rxn:5:194792:226369:227722,Cc1ccccc1-n1cc(-c2ccc(C3OC4(C(=O)c5ccccc5C4=O)C4C(=O)N(c5ccc(-c6cccc(SC(F)(F)F)c6)cc5)C(=O)C34)cc2)cn1,HELKSNWCDVYCLL-UHFFFAOYSA-N
-rxn:5:196188:226330:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(C2=NOCC2)c(-c2ccc(C(C)N3CCCC3)s2)c1,KPDZCHYLEFBCRD-UHFFFAOYSA-N
-rxn:5:196408:225450:223062,O=C(c1ccc(-c2cc(-c3cnc(C4CCNCC4)cc3F)ccc2C2=NOCCO2)cc1)C1CCCC1,OOUZHIBIBPOOBX-UHFFFAOYSA-N
-rxn:5:196408:226686:225633,Cc1cnn(C2CCCCO2)c1-c1cc(-c2ccc(N3CCCCCC3)nc2)ccc1C1=NOCCO1,RWZBKOOJMUZDFE-UHFFFAOYSA-N
-rxn:5:196408:227386:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(C2=NOCCO2)c(-c2cnn(C3CCCCC3)c2)c1,WJSOJNRRQCZONA-UHFFFAOYSA-N
-rxn:5:196670:225832:225514,Cc1nn(C2CCCCO2)c(C)c1-c1ccnc(-c2cccc3c2OCC2(CC2)CO3)c1C1CCCC1,VQMJLRPEDJTFRG-UHFFFAOYSA-N
-rxn:5:196670:225832:225589,Cc1nn(C2CCCCO2)c(C)c1-c1ccnc(-c2ccc(CN3CCSCC3)cc2)c1C1CCCC1,ZXNHNCCQTAIREO-UHFFFAOYSA-N
-rxn:5:196679:225832:225438,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2ccc(C(C)N3CCCC3)cc2)cc1N1CCCC1,UWFYQSDAFUIGCZ-UHFFFAOYSA-N
-rxn:5:196858:223004:225881,Fc1cc(-c2cnc(C3CCOCC3)cc2-c2ccc(C3CCOCC3)nc2F)ccc1C1CCNCC1,OTKFZWUOMYHSOS-UHFFFAOYSA-N
-rxn:5:196869:222985:226686,Cc1cnn(C2CCCCO2)c1-c1cc(-c2ccc(C3CCCNC3)nc2C)ccc1N1CCOCC1,KSDLHEKEWRRPEC-UHFFFAOYSA-N
-rxn:5:196969:225832:226649,Cc1nn(C2CCCCO2)c(C)c1-c1cnc(C2CCCCC2)cc1-c1cccnc1N1CCOCC1,WSVQUZYZBRWTPX-UHFFFAOYSA-N
-rxn:5:196970:225832:223133,Cc1nn(C2CCCCO2)c(C)c1-c1c(C2CCCCC2)ccnc1-c1ccccc1N1CCNCC1,XFHNAHSVHOSHHY-UHFFFAOYSA-N
-rxn:5:196970:225832:226179,Cc1nn(C2CCCCO2)c(C)c1-c1c(C2CCCCC2)ccnc1-c1cncc(C2CCCCC2)c1,YPSWNVXLRYYLMD-UHFFFAOYSA-N
-rxn:5:196971:222957:225439,Cc1cc(-c2cc(-c3cccc(C(C)N4CCCC4)c3)c(C3CCCCC3)cn2)cc(C2CCCNC2)c1,NCQDHTIEWOOXNX-UHFFFAOYSA-N
-rxn:5:196971:222960:225462,Cc1cc(-c2cc(-c3cccc(N4CCC(C)CC4)c3)c(C3CCCCC3)cn2)cc(C2CCNCC2)c1,DQLWBXHRYFVJKS-UHFFFAOYSA-N
-rxn:5:196971:225588:226686,Cc1cnn(C2CCCCO2)c1-c1cc(-c2ccccc2CN2CCSCC2)ncc1C1CCCCC1,GGNPGPCPXMYOEO-UHFFFAOYSA-N
-rxn:5:196971:225814:225931,Cc1cc(-c2cc(-c3cccc(C4(C(F)(F)F)CC4)c3)ncc2C2CCCCC2)cc(S(=O)(=O)N(C)C)c1,KPFGIOIEGHMJJJ-UHFFFAOYSA-N
-rxn:5:196977:225832:223148,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(N2CCCCC2)cc1-c1ccccc1C1CNCCO1,GHSMDHPVYOCLOK-UHFFFAOYSA-N
-rxn:5:197169:225987:226571,N#CC1=Cc2cc(-c3cnn(CC4CCOCC4)c3)cc(-c3ccc(N4CCCS4(=O)=O)cc3)c2OC1,DKCPHUJFLMXKHP-UHFFFAOYSA-N
-rxn:5:197876:223183:227926,CNS(=O)(=O)c1ccc(-c2cc3c(cc2-c2ccc(SC(C)C)cc2)C(=O)N(C(C)(C)C)S3(=O)=O)c(C)c1,JQYMPOAELIIWDE-UHFFFAOYSA-N
-rxn:5:197876:223263:225451,CNC(=O)c1ccc(F)c(-c2cc3c(cc2-c2ccc(SC4CCCCC4)cc2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,NCJNAEFHXDPYHE-UHFFFAOYSA-N
-rxn:5:197876:225671:228616,CSc1ccc(-c2cc3c(cc2-c2cc(C4CCCCC4)ncc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c(C)c1,NJILUYDLZKWMTD-UHFFFAOYSA-N
-rxn:5:197876:225834:227052,CC(C)(C)Sc1ccc(-c2cc3c(cc2-c2cc(N4CCCCC4)ncc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1,YPWHMFBWGITREM-UHFFFAOYSA-N
-rxn:5:197876:225886:226179,CC(C)(C)N1C(=O)c2cc(-c3cncc(C4CCCCC4)c3)c(-c3ccc4c(ccn4S(C)(=O)=O)c3)cc2S1(=O)=O,VDKXCBSKQORMQM-UHFFFAOYSA-N
-rxn:5:197876:225936:227052,CC(C)c1ncc(C(F)(F)F)cc1-c1cc2c(cc1-c1ccc(SC(C)(C)C)cc1)C(=O)N(C(C)(C)C)S2(=O)=O,NEZRHHGHRYOHRH-UHFFFAOYSA-N
-rxn:5:197876:226064:228429,CSc1ccc(F)c(-c2cc3c(cc2-c2ccc(C4CCCCC4)cc2)S(=O)(=O)N(C(C)(C)C)C3=O)c1F,SZRBFZXVZMQYAI-UHFFFAOYSA-N
-rxn:5:197876:226069:228247,CC(=O)c1ccc(F)c(-c2cc3c(cc2-c2cccc(C4CCCCC4)c2)S(=O)(=O)N(C(C)(C)C)C3=O)c1,ZQYPHWMEFHVKFF-UHFFFAOYSA-N
-rxn:5:197876:226191:227830,CC1(c2ccc(-c3cc4c(cc3-c3cc(C5CCCC5)ccc3F)S(=O)(=O)N(C(C)(C)C)C4=O)cc2)CC1,QQCMZNWNAUPFBQ-UHFFFAOYSA-N
-rxn:5:197876:226910:227045,CCC(C)(C)c1ccc(-c2cc3c(cc2-c2cccc(SC(C)(C)C)c2)C(=O)N(C(C)(C)C)S3(=O)=O)cc1,OSTTYYLBWXYKBQ-UHFFFAOYSA-N
-rxn:5:197876:227048:226424,CC1CCCN(c2csc(-c3cc4c(cc3-c3ccc(C(=O)C(C)C)cc3)S(=O)(=O)N(C(C)(C)C)C4=O)c2)C1,QXAJTCVNLZMBMW-UHFFFAOYSA-N
-rxn:5:197876:227076:226062,CCC(C)c1ccc(F)c(-c2cc3c(cc2-c2cc(C(C)C)cc(C(C)C)c2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,XFNRWNWDSBVDAU-UHFFFAOYSA-N
-rxn:5:197876:227076:226189,CCC(C)c1ccc(F)c(-c2cc3c(cc2-c2ccc(C4CCCC4)c(F)c2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,APCYZKRWVVROHH-UHFFFAOYSA-N
-rxn:5:197876:227077:227065,CCC(C)c1ccc(-c2cc3c(cc2-c2cccc(C(=O)C(C)C)c2)C(=O)N(C(C)(C)C)S3(=O)=O)c(F)c1,LFSURCIPLQZVDD-UHFFFAOYSA-N
-rxn:5:197876:227102:226428,CC1CCCCN1c1csc(-c2cc3c(cc2-c2cc(C(C)(C)C)ccc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,JJOJBQNRUXAROM-UHFFFAOYSA-N
-rxn:5:197876:227589:226915,Cc1cc(OC(F)F)cc(-c2cc3c(cc2-c2ccc(C4CCCC4)cc2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,KBZAJVFMFBFVJN-UHFFFAOYSA-N
-rxn:5:197876:227812:226146,CC(C)Cc1cccc(-c2cc3c(cc2-c2ccc(SC4CCCC4)cc2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,ZZVZLRGXRUCLOY-UHFFFAOYSA-N
-rxn:5:197876:227822:226150,Cc1cccc(C(C)C)c1-c1cc2c(cc1-c1cccc(SC3CCCC3)c1)C(=O)N(C(C)(C)C)S2(=O)=O,LFTINIXLWRETDC-UHFFFAOYSA-N
-rxn:5:197876:227968:226069,CC(C)(C)N1C(=O)c2cc(-c3cccc(C4CCCCC4)c3)c(-c3cnccc3C3CCC3)cc2S1(=O)=O,CADNYFCKGGCXQX-UHFFFAOYSA-N
-rxn:5:197876:227970:225811,CC(C)(C)c1cnccc1-c1cc2c(cc1-c1ccc(C3(C(F)(F)F)CC3)cc1)C(=O)N(C(C)(C)C)S2(=O)=O,QTKOXPILORTQMA-UHFFFAOYSA-N
-rxn:5:197876:228417:227119,CC(C)(C)N1C(=O)c2cc(-c3cc(C4CCCCC4)cs3)c(-c3ccc(F)c(C(F)F)c3)cc2S1(=O)=O,CLDLUFVPGWJSAQ-UHFFFAOYSA-N
-rxn:5:197876:228790:225671,CC(C)(C)N1C(=O)c2cc(-c3cc(C4CCCCC4)ncc3F)c(-c3cccc(C(F)F)c3)cc2S1(=O)=O,JJEURTRIODYMLD-UHFFFAOYSA-N
-rxn:5:197876:228800:225450,CSc1ccc(F)cc1-c1cc2c(cc1-c1ccc(C(=O)C3CCCC3)cc1)C(=O)N(C(C)(C)C)S2(=O)=O,FQFGDTLXQKSKAN-UHFFFAOYSA-N
-rxn:5:227909:178295:227558,CCC(C)c1cc(-c2ccc(-c3ccc(OC(F)F)cc3C)cc2C2(C(=O)OC)CCC(=O)CC2)ccn1,AMJSNDNWFVOTNL-UHFFFAOYSA-N
-rxn:5:227933:178295:226762,CCc1ccc(OC)cc1-c1ccc(-c2cc(SC)cc(C(F)(F)F)c2)cc1C1(C(=O)OC)CCC(=O)CC1,FUDRRUOAENWRJC-UHFFFAOYSA-N
-rxn:5:227937:178295:227103,COC(=O)C1(c2cc(-c3sccc3C3CCCCC3)ccc2-c2cccc(SC(C)C)c2)CCC(=O)CC1,IJETUMZDDOUSMT-UHFFFAOYSA-N
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