diff --git "a/B1WBY8_molecules.csv" "b/B1WBY8_molecules.csv"
--- "a/B1WBY8_molecules.csv"
+++ "b/B1WBY8_molecules.csv"
@@ -1,86083 +1,3 @@
-Molecule_ID,SMILES,InChI_Key
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-0A235759FD62F196_03093E23EDE2ABD8_6026_UN,CC(C)C1=NC(=C[NH]1)[S](=O)(=O)NCC2=CC=C(C=C2)N3CC=CC3,COFASFZRSUYMFQ-UHFFFAOYSA-N
-0A8B910974EE5087_20E71EAC818E0888_6041_UN,O=[N](=O)C1=C(C2=C(N=C1)C=CC(=C2)F)NC[C@H]4[C@H](C3=NC=C[N]3C)OCCC4,IIQZDZPSNWBIMY-KPZWWZAWSA-N
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-rxn:4:173372:223279,FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1ccc(-c2cnc(C3CCCN3)nc2)cc1,FQCIYWFZYNLAIX-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:4:173392:223598,CCCCOc1ccc(C(=O)OC)cc1-c1ccc(OCCN2CCC3(CC2)OCCO3)c(F)c1,RETHSXXZIARDSB-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:4:173517:223179,CONC(=O)c1cc(-c2ccc(C(F)(F)F)cc2OC2(C(=O)OC(C)(C)C)CC2)ccc1F,WTXGIYPDJKIYBF-UHFFFAOYSA-N
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-rxn:4:173548:223570,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc(OCc4ccccc4)cc3C(=O)OC(C)(C)C)c(F)ncc21,FGHAWAHNHLIDTD-UHFFFAOYSA-N
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-rxn:4:173704:222441,COc1cccc2c(-c3ccc(C(=O)Nc4ccc(C(C)(C)C)cc4)cc3)ccc(O[Si](C(C)C)(C(C)C)C(C)C)c12,ZEYLSHQEBVHTOL-UHFFFAOYSA-N
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-rxn:4:173723:223969,CC1CCN(c2ccc(C(F)(F)F)cc2-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)CC1,NQBAAZXQEQHOAK-UHFFFAOYSA-N
-rxn:4:173802:223103,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)s1,HOGNAVPLVTUVCZ-UHFFFAOYSA-N
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-rxn:4:173802:224257,CC1CCCCN1C(=O)c1ccc(Cl)c(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)c1,YZRKASVSSDCRKO-UHFFFAOYSA-N
-rxn:4:173802:225179,O=S(=O)(OC(c1ccc(-c2cccc(Cl)c2CN2CCOCC2)cc1)C(F)(F)F)C(F)(F)F,LLCITJGXTSENSW-UHFFFAOYSA-N
-rxn:4:173802:225380,O=S(=O)(OC(c1ccc(-c2ccc(C(F)(F)F)cc2C(F)(F)F)cc1)C(F)(F)F)C(F)(F)F,CNLOTDUVKRPVQN-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:4:173806:226844,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:4:173807:226844,O=C(c1cc(-c2cccc(OC(C(F)(F)F)C(F)(F)F)c2C(F)(F)F)ccn1)C(F)(F)F,WQPOFUBZLDFMAM-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:4:173809:226844,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:4:173810:226844,O=C(c1cc(-c2ccc(C(F)(F)F)c(OC(C(F)(F)F)C(F)(F)F)c2)ccn1)C(F)(F)F,ZCAVXRSJUROLEB-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:4:173922:223568,COC(=O)Cc1ccc(-c2cnc3c(ccn3[Si](C(C)C)(C(C)C)C(C)C)c2Cl)cc1C(=O)OC,MAEVQWKMALUXMZ-UHFFFAOYSA-N
-rxn:4:174100:223977,COC(=O)C(C)(C(=O)OC)c1ccc(-c2cc(C(F)(F)F)ccc2C(=O)OC(C)(C)C)cc1,CPVWDUZXCIWGMC-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:4:174166:222725,CCNS(=O)(=O)c1ccc(-c2cc(C(C)C)cc(C(=O)OC)c2OC(F)F)c(C(F)(F)F)c1,IEWWJMSEFSDCSO-UHFFFAOYSA-N
-rxn:4:174246:224008,COC(=O)c1cc(-c2ccccc2OC(F)(F)F)ccc1-c1cc(C(=O)N2CCOCC2)cc([N+](=O)[O-])c1,GDLNXLBYYMIRAO-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:4:174407:224880,COC(=O)C1(c2cccc(-c3ccccc3CN3CCCCCC3)c2)CC(OC)(OC)C1,VUHURGSIFDMVJO-UHFFFAOYSA-N
-rxn:4:174429:222639,C[C@H](NC(=O)OC(C)(C)C)c1ccc(-c2cccc(OC(C)(C)C(=O)OC(C)(C)C)c2)cc1,HCOPCNSDXPYBTR-SFHVURJKSA-N
-rxn:4:174431:224609,CC(C)Oc1cc(C(=O)OC(C)(C)C)cc(-c2cnccc2C(=O)N(C(C)C)C(C)C)c1,YDLFFVBSTTVEQZ-UHFFFAOYSA-N
-rxn:4:174493:226844,CC1(C)COC(CCCC(=O)c2ccc(Cl)c(-c3ccnc(C(=O)C(F)(F)F)c3)c2)OC1,BVCQZEKBTYMYNF-UHFFFAOYSA-N
-rxn:4:174518:224160,CC(C)[Si](Oc1ccc(F)c(-c2ccc3c(c2)CCN3C(=O)OC(C)(C)C)c1)(C(C)C)C(C)C,PSPVTHHKFIAODZ-UHFFFAOYSA-N
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-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:4:174663:223279,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:4:174663:226844,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:4:174857:223559,CCSCC(=O)c1cccc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)c1,CVVKIMZPMHJWAG-UHFFFAOYSA-N
-rxn:4:174868:223559,COC(=O)CCc1cc(F)ccc1-c1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)OC(C)(C)C,ADRXFHVQQPQPCZ-UHFFFAOYSA-N
-rxn:4:175090:222606,CC(C)(C)NC(=O)c1c(-c2ccc(C(OS(C)(=O)=O)C(F)(F)F)cc2)cccc1C(F)(F)F,SSQMWWJZPQJAAI-UHFFFAOYSA-N
-rxn:4:175339:223898,CC(C)N(C(=O)OC(C)(C)C)c1ccc(-c2ccc(F)cc2OC(=O)OC(C)(C)C)cc1,BXZBVXKMBKCWKF-UHFFFAOYSA-N
-rxn:4:175490:223712,CCOC(=O)C(C)(C)c1ccc(-c2ccc(OC)c(C34CC5CC(CC(C5)C3)C4)c2)cc1,BJNXCUBPQYXNMI-UHFFFAOYSA-N
-rxn:4:175798:223787,COC(=O)c1cc(-c2ccccc2C(F)(F)F)ccc1-c1ccc(OCCCN2CCN(C)CC2)c(F)c1,YPJWEGOPQRGPMG-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:4:175827:224598,COC(=O)c1cc(F)c(OC2CCCC2)cc1-c1ccc(N2CCC(C)CC2)cc1OC,DPBPTNZJHQOPDC-UHFFFAOYSA-N
-rxn:4:176018:224423,CCC[C@H]1CC[C@H](c2ccc(-c3cc(OC)c(OCC4CCCCC4)cc3F)cc2)CC1,VVDHONGIDFCIBR-AFARHQOCSA-N
-rxn:4:176093:223923,CN(C(=O)c1cc(-c2cccc(Cl)c2CO[Si](C)(C)C(C)(C)C)ccc1F)C1CCCCC1,FYJNSCYGYSXCJR-UHFFFAOYSA-N
-rxn:4:176105:222913,CC(C)(C)[Si](C)(C)Oc1ccc(-c2ccc(CNS(=O)(=O)C3CC3)cc2)c(C(F)(F)F)c1,ADSZOTHEIHJAFA-UHFFFAOYSA-N
-rxn:4:176146:223583,COC(=O)c1ccc2c(-c3cc(-c4ccc(OC(F)(F)F)cc4)cc(C(C)(C)C)c3)cn(C(=O)OC(C)(C)C)c2c1,FXVSIDPKVKKHDO-UHFFFAOYSA-N
-rxn:4:176168:223934,CC(C)[Si](c1c(F)cc(-c2cc3ccc(F)cc3n2C(=O)OC(C)(C)C)cc1F)(C(C)C)C(C)C,OMKQQRJXQNGZIP-UHFFFAOYSA-N
-rxn:4:176168:225287,CC(C)[Si](c1c(F)cc(-c2cc(Cl)ncc2C(=O)OC(C)(C)C)cc1F)(C(C)C)C(C)C,PWSUINARCCWWPN-UHFFFAOYSA-N
-rxn:4:176182:223523,CCN1CCN(S(=O)(=O)c2ccc(-c3ccccc3-c3c(C(C)C)cc(C(C)C)cc3C(C)C)c3ccccc23)CC1,MIDIQENDNROIBR-UHFFFAOYSA-N
-rxn:4:176290:222630,O=C1C(=Cc2ccc(-c3cc(C4CCC4)nc(C4CCNCC4)c3)cc2)Oc2cc(OS(=O)(=O)c3ccc(F)cc3)ccc21,STEYVEYCKFDNSK-UHFFFAOYSA-N
-rxn:4:176294:224485,CC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2cccc(C=C3Oc4cc(OC(=O)C(C)(C)C)ccc4C3=O)c2)c1,HNUWLBWSAJERFR-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:4:176322:223179,CCC1(CC)CC(C)(C)c2c1cc1c(c2-c2ccc(F)c(C(=O)NOC)c2)C(C)(C)CC1(CC)CC,ZHADPDTVTNFZMQ-UHFFFAOYSA-N
-rxn:4:176412:222389,O=S(=O)(Oc1cccc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)c1)C(F)(F)F,HNQFCTIMBSQCTJ-UHFFFAOYSA-N
-rxn:4:177354:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3ccc(C4CC4)cc3C(=O)OC)c2)CC1,FXRDMEZTCVAADU-UHFFFAOYSA-N
-rxn:4:177374:223753,Cc1ccc(-c2ccc(OCC3OCCO3)c(F)c2)cc1OCCCN1CCN(C)CC1,YOFRTWRCUJYOOL-UHFFFAOYSA-N
-rxn:4:178382:222829,CNS(=O)(=O)c1ccc(-c2cc(C(C)(C)C)c(C(C)(C)C)c(C(C)(C)C)c2)c(C(F)(F)F)c1,RBDZPYBHSMZGRP-UHFFFAOYSA-N
-rxn:4:178384:227091,c1ncc(C2CCCC2)cc1-c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1,POVZKBYKZWAREW-UHFFFAOYSA-N
-rxn:4:178384:228252,COc1ccc(C)c(F)c1-c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1,ZHGSTONAMWINMG-UHFFFAOYSA-N
-rxn:4:178384:228427,COc1ccc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c(F)c1Cl,JRAOLEFBLFKPDF-UHFFFAOYSA-N
-rxn:4:178384:228822,Cc1ccc(Cl)c(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c1F,YOJHFEQSZHOSFR-UHFFFAOYSA-N
-rxn:4:178597:223315,Cc1ccc2[nH]ncc2c1-c1ccc(OC(=O)C2OC3OC(C)(C)OC3C3OC(C)(C)OC23)cc1,DJFXKWCABXZHNB-UHFFFAOYSA-N
-rxn:4:179309:223559,CC(=O)c1ccc(Cl)c(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)c1C(F)(F)F,LIZLFEQNKHNAOS-UHFFFAOYSA-N
-rxn:4:180792:224426,CCOC1CCC2(CC1)Cc1ccc(-c3cc(C4CCCCC4)cc(C4CC4)c3)cc1C2=O,SFBZKPKNLDMDMT-UHFFFAOYSA-N
-rxn:4:180965:223492,Cc1cc(-c2cc(F)cc(C(F)F)c2Cl)ccc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,DGFFVLGQZKXHPB-UHFFFAOYSA-N
-rxn:4:182359:223902,COC1CCC2(CC1)Oc1ccc(-c3ccc(OCCN4CCC(C)CC4)c(F)c3)cc1C2=O,SLRQLYNHAJZJGL-UHFFFAOYSA-N
-rxn:4:182374:222545,CC(=O)c1cc2c(cc1-c1ccc(C(C)(C)NC(=O)OC(C)(C)C)cc1)C(C)(C)CCC2(C)C,UFVKNBGKJWXGAJ-UHFFFAOYSA-N
-rxn:4:182374:224609,CC(=O)c1cc2c(cc1-c1cnccc1C(=O)N(C(C)C)C(C)C)C(C)(C)CCC2(C)C,GOEPNXSCRVQEAE-UHFFFAOYSA-N
-rxn:4:182376:225390,CO[C@H]1[C@H](C)C[C@@]2(Cc3ccc(-c4cc(CC(C)C)cc(C5CC5)c4)cc3C2=O)C[C@@H]1C,BXHSIUPEKXWEJO-IAQFBUBBSA-N
-rxn:4:182901:223481,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3ccc4c(c3F)CCC4)c(F)c2)CC1,NKUDJQSQWFOHLQ-UHFFFAOYSA-N
-rxn:4:183272:223279,c1cc2c(cc1-c1cnc(C3CCCN3)nc1)OCCOCCOCCOCCOCCO2,MZYFOELDBATMFY-UHFFFAOYSA-N
-rxn:4:183272:228181,COCc1cc(F)ccc1-c1ccc2c(c1)OCCOCCOCCOCCOCCO2,TXVOUAQNBIMRES-UHFFFAOYSA-N
-rxn:4:183273:223179,CONC(=O)c1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)ccc1F,YPEZQNPELACRQE-UHFFFAOYSA-N
-rxn:4:183273:223279,c1cc2c(cc1-c1cnc(C3CCCN3)nc1)OCCOCCOCCOCCOCCOCCO2,RXHWTNUDQYWMJO-UHFFFAOYSA-N
-rxn:4:183273:224574,Cc1cnn(-c2ccc(C3CC3)c(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)c2)c1,GOUGUXSMJKSBAN-UHFFFAOYSA-N
-rxn:4:183273:226844,O=C(c1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)ccn1)C(F)(F)F,JKWCPECYNCBQNL-UHFFFAOYSA-N
-rxn:4:183273:229289,Cc1cscc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,BFFADQSKXYMOLU-UHFFFAOYSA-N
-rxn:4:183274:223179,CONC(=O)c1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCOCCO3)ccc1F,XHACTJUTOONZNM-UHFFFAOYSA-N
-rxn:4:183274:223279,c1cc2c(cc1-c1cnc(C3CCCN3)nc1)OCCOCCOCCOCCOCCOCCOCCO2,JWIJQCNHRJWGES-UHFFFAOYSA-N
-rxn:4:183274:226844,O=C(c1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCOCCO3)ccn1)C(F)(F)F,HZSGHUSIRWEWDL-UHFFFAOYSA-N
-rxn:4:183274:228833,Cc1ccc(F)c(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCOCCO3)c1F,YGXHNRFESVMTKJ-UHFFFAOYSA-N
-rxn:4:183274:229138,Fc1cc(Cl)ccc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCOCCO2,YSQVKRCEXPORKL-UHFFFAOYSA-N
-rxn:4:183668:222685,Cc1cc(F)c(NC(=O)OC(C)(C)C)cc1-c1ccc(C(=O)C(C#N)C(=O)OC(C)(C)C)cc1,YISRARMUFSQISS-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:4:183695:223179,CONC(=O)c1cc(-c2cc(OC(F)(F)F)ccc2OCC(=O)N2CCCC2)ccc1F,VMWJUMUREBJGHR-UHFFFAOYSA-N
-rxn:4:183695:225548,CCOC(=O)c1ccc(CC)cc1-c1cc(OC(F)(F)F)ccc1OCC(=O)N1CCCC1,NIGRTCLFQHTYQU-UHFFFAOYSA-N
-rxn:4:183696:223179,CONC(=O)c1cc(-c2ccc(OC(F)(F)F)cc2OCC(=O)N2CCCC2)ccc1F,CTWFRHJXJDJWCH-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:4:183704:223179,CONC(=O)c1cc(-c2ccc(OC[C@@H]3CCCN3C(=O)OC(F)(F)F)c(F)c2)ccc1F,ZRIAEBHELOOUDX-AWEZNQCLSA-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:4:183729:223179,CONC(=O)c1cc(-c2cc(OC(F)(F)F)ccc2OCC(=O)N2CCOCC2)ccc1F,AMQGTOSKCOKVPJ-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:4:183730:223179,CONC(=O)c1cc(-c2ccc(OC(F)(F)F)cc2OCC(=O)N2CCOCC2)ccc1F,CFIULXBERKYNMC-UHFFFAOYSA-N
-rxn:4:183730:224371,COC(=O)C1CCN(c2ncc(-c3ccc(OC(F)(F)F)cc3OCC(=O)N3CCOCC3)cn2)CC1,OOENTQZEDBXYAI-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:4:183731:226844,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:4:183750:226844,O=C(c1cc(-c2cc(OC(F)(F)F)ccc2OCCN2CCOCC2)ccn1)C(F)(F)F,FCOCSZHJSKAULU-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:4:183752:226844,CCOC(=O)CCN1C(=O)C(=Cc2cccc(-c3ccnc(C(=O)C(F)(F)F)c3)c2)SC1=S,RJBTWEAYOZNXNG-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:4:183769:226844,O=C(COc1ccc(OC(F)(F)F)cc1-c1ccnc(C(=O)C(F)(F)F)c1)N1CCCCC1,MHAFHDAMFXULMF-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:4:183772:226844,O=C(COc1cc(OC(F)(F)F)ccc1-c1ccnc(C(=O)C(F)(F)F)c1)N1CCCC(F)(F)C1,MUAUINMXUMWPLH-UHFFFAOYSA-N
-rxn:4:183796:224269,COC(=O)c1ccc(-c2cn(C(=O)OC(C)(C)C)c3cnccc23)cc1N(C)C(=O)OC(C)(C)C,GQALDQZZXSCGTJ-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:4:183801:226844,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:4:183803:226844,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:4:183809:223179,CONC(=O)c1cc(-c2cc(OC(F)(F)F)ccc2OCCN2CCCC(F)(F)C2)ccc1F,KPETZYZTZHYEQW-UHFFFAOYSA-N
-rxn:4:183833:223492,C#Cc1ccc(-c2ccc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c(C)c2)cc1OC1CN(C(=O)OC(C)(C)C)C1,QECKNNJRHZMAOF-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:4:183834:226844,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:4:183836:226844,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:4:183839:223179,CONC(=O)c1cc(-c2ccc(OCC(=O)N3CCCCC3C(=O)OC)cc2)ccc1F,GNAUACAVFPGLPN-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:4:183877:223179,CONC(=O)c1cc(-c2c(Cl)cccc2OCC2CN(C(=O)OC(C)(C)C)C2)ccc1F,UZURFHOVGDWYPC-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:4:183880:225353,COC(=O)c1ccc(-c2ccc(OCC3CN(C(=O)OC(C)(C)C)C3)c(F)c2)cc1C(F)(F)F,IXJGEMUXDZMVJS-UHFFFAOYSA-N
-rxn:4:183880:226004,COc1cc(OC(F)(F)F)cc(-c2ccc(OCC3CN(C(=O)OC(C)(C)C)C3)c(F)c2)c1,TZWNEFHHOGEVBH-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:4:183881:226844,CC(C)(C)OC(=O)N1CC(COc2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)c(F)c2)C1,YOCUINMQPLFLIY-UHFFFAOYSA-N
-rxn:4:183882:226844,CC(C)(C)OC(=O)N1CC(COc2ccc(F)c(-c3ccnc(C(=O)C(F)(F)F)c3)c2)C1,KOZZCTQQQOWXSG-UHFFFAOYSA-N
-rxn:4:183883:223179,CONC(=O)c1cc(-c2ccc(OCCC3CCN(CC(F)(F)F)CC3)cc2)ccc1F,KUMGMNSMIDAXTB-UHFFFAOYSA-N
-rxn:4:183884:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2cccc(F)c2OCC2CN(C(=O)OC(C)(C)C)C2)cc1,LLSZAJAKZMVYLH-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:4:183885:223179,CONC(=O)c1cc(-c2ccccc2OCCCN2CCCC(C(F)(F)F)C2)ccc1F,WYOVURXCGZYUEV-UHFFFAOYSA-N
-rxn:4:183885:226844,O=C(c1cc(-c2ccccc2OCCCN2CCCC(C(F)(F)F)C2)ccn1)C(F)(F)F,BXYZHTKCXONYSM-UHFFFAOYSA-N
-rxn:4:183886:223179,CONC(=O)c1cc(-c2ccccc2OCCCN2CCC(C(F)(F)F)CC2)ccc1F,NCRAWJMXWCAHCD-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:4:183893:223179,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:4:183894:223179,CONC(=O)c1cc(-c2cccc(F)c2OCCCN2CCC(C(F)(F)F)CC2)ccc1F,FYUBQEZRNXYFBF-UHFFFAOYSA-N
-rxn:4:183894:224290,Fc1cccc(-c2ccc(Cl)cc2OCCN2CCOCC2)c1OCCCN1CCC(C(F)(F)F)CC1,DERLEGRIVKXFRK-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:4:183894:226844,O=C(c1cc(-c2cccc(F)c2OCCCN2CCC(C(F)(F)F)CC2)ccn1)C(F)(F)F,YESQVPXRZIWYKE-UHFFFAOYSA-N
-rxn:4:183894:227554,COC(=O)c1c(F)cccc1-c1cccc(F)c1OCCCN1CCC(C(F)(F)F)CC1,YQBMISSWJKAZRW-UHFFFAOYSA-N
-rxn:4:183900:225568,COC(=O)C(C)(C)c1ccc(-c2cc(F)ccc2CN(C(=O)OC(C)(C)C)C(C)C)cc1,PPNGMADWMBZSCV-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:4:183909:226844,COc1ccc(OC2CN(C(=O)OC(C)(C)C)C2)cc1-c1ccnc(C(=O)C(F)(F)F)c1,LWENLWGPNKOQIQ-UHFFFAOYSA-N
-rxn:4:183911:226844,CC1CCCCN1CCOc1cc(OC(F)(F)F)ccc1-c1ccnc(C(=O)C(F)(F)F)c1,AICXYTFHOZQRJL-UHFFFAOYSA-N
-rxn:4:183912:223279,CC1CCN(CCOc2cc(OC(F)(F)F)ccc2-c2cnc(C3CCCN3)nc2)CC1,WOPDBYOQGVVFGE-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:4:183914:226844,CC1CCCN(CCOc2ccc(OC(F)(F)F)cc2-c2ccnc(C(=O)C(F)(F)F)c2)C1,GNGQEDSMZXJEGU-UHFFFAOYSA-N
-rxn:4:183915:224827,COC(=O)c1ccc(OC(F)(F)F)cc1-c1cc(OC(F)(F)F)ccc1OCCN1CCC(C)CC1,MWECNLYDUAGONE-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:4:183921:222639,CC(=O)Oc1ccc(N(C(C)=O)S(=O)(=O)c2ccc(-c3ccc([C@H](C)NC(=O)OC(C)(C)C)cc3)cc2)c(C)c1,FUKJETNKXYSSOD-FQEVSTJZSA-N
-rxn:4:183931:226499,Cc1cc(CN(C(=O)OC(C)(C)C)C2CC2)cc(-c2cccn2C(=O)OC(C)(C)C)c1,LKLFUPOXEXDZSJ-UHFFFAOYSA-N
-rxn:4:183935:224279,COc1cc(C(=O)N(C(C)C)C(C)C)c(-c2ccc3c(c2)ncn3C(=O)OC(C)(C)C)cc1OC,JZXYFUPAOLJUQK-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:4:183941:223179,CCCCN(C1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(-c2ccc(F)c(C(=O)NOC)c2)cc1,WRDOFCHEILSKEM-UHFFFAOYSA-N
-rxn:4:183941:226844,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:4:183943:226844,CC(C)(C)OC(=O)N1CC(CS(=O)(=O)c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2)C1,KDVOQYGIPCGSDL-UHFFFAOYSA-N
-rxn:4:183944:226844,CC(C)(C)OC(=O)N1CC(CS(=O)(=O)c2cccc(-c3ccnc(C(=O)C(F)(F)F)c3)c2)C1,MRAIPSGPTMPYPE-UHFFFAOYSA-N
-rxn:4:183958:226844,CC(C)(C)OC(=O)N1CCC(COc2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2)C1,YWASVMQVXPQMSA-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:4:183963:225876,Cc1cccc(OCC2CN(C(=O)OC(C)(C)C)C2)c1-c1cc(Cl)ccc1N1CCOCC1,PBIIASHWJRPCMR-UHFFFAOYSA-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:4:183965:226844,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:4:183969:223135,CCOC(=O)C1CCN(S(=O)(=O)c2ccc(-c3cccnc3C3CCCNC3)c(OC)c2)CC1,MUAAKAHTXOFCMR-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:4:183983:225564,COC(=O)C(C)(C)c1cccc(-c2ccc(C)c(CN(C(=O)OC(C)(C)C)C(C)C)c2)c1,QFZGJOVNUWUFPB-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:4:183989:226844,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:4:183993:226844,Cc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1CN(C(=O)OC(C)(C)C)C1CCC1,NQHYCLBRFQAEEP-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:4:183996:226844,CC(C)(C)OC(=O)N(Cc1cc(-c2ccnc(C(=O)C(F)(F)F)c2)ccc1Cl)C1CCCC1,LGZFMUURQAPILV-UHFFFAOYSA-N
-rxn:4:183997:223279,CC(C)(C)OC(=O)N(Cc1cccc(Cl)c1-c1cnc(C2CCCN2)nc1)C1CCCC1,BTSYXYUQSPHJQM-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:4:184001:222792,COC(=O)C1(c2ccc(-c3cc(NC(=O)OC(C)(C)C)ccc3F)cc2Cl)CCN(C(=O)OC(C)(C)C)C1,LDVQDDYJDQDPPI-UHFFFAOYSA-N
-rxn:4:184014:223179,CONC(=O)c1cc(-c2cccc(OCC3CCN(C(=O)OC(C)(C)C)CC3)c2)ccc1F,QKGJGHQDSLSRHW-UHFFFAOYSA-N
-rxn:4:184014:226844,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:4:184016:226844,CC(C)(C)OC(=O)N1CCC(OCc2ccccc2-c2ccnc(C(=O)C(F)(F)F)c2)CC1,RZJCNOOAVKBGIG-UHFFFAOYSA-N
-rxn:4:184017:223179,CONC(=O)c1cc(-c2ccc(OCC3CCN(C(=O)OC(C)(C)C)CC3)cc2)ccc1F,IUEBYVVKMWBHJY-UHFFFAOYSA-N
-rxn:4:184017:223279,CC(C)(C)OC(=O)N1CCC(COc2ccc(-c3cnc(C4CCCN4)nc3)cc2)CC1,HZTRKRZHKCRYKJ-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:4:184019:223279,Cc1cc(OCC2CN(C(=O)OC(C)(C)C)C2)cc(C)c1-c1cnc(C2CCCN2)nc1,HXCALOIKCBVEGT-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:4:184022:226844,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:4:184024:226844,CC(C)(C)OC(=O)N1CCCC(COc2cc(Cl)cc(-c3ccnc(C(=O)C(F)(F)F)c3)c2)C1,REQMESXBCRGMQB-UHFFFAOYSA-N
-rxn:4:184025:223279,CC(C)(C)OC(=O)N1CCC(COc2cc(-c3cnc(C4CCCN4)nc3)ccc2Cl)CC1,YQFPKIKEFXILBK-UHFFFAOYSA-N
-rxn:4:184027:224268,CC(C)(C)OC(=O)N1CCC(COc2ccc(-c3ccc4c(cnn4C(=O)OC(C)(C)C)c3)cc2F)CC1,QHYFKFPBOFUWDB-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:4:184055:223685,COc1cc(-c2ccc(OC(F)(F)F)c(OCc3cccnc3)c2)ccc1OC1CCN(C(=O)OC(C)(C)C)CC1,PCPSITWMWBWMLB-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:4:184062:223179,CONC(=O)c1cc(-c2ccc(CN(C(=O)OC(C)(C)C)C3CCCC3)cc2C)ccc1F,ADIGWRILDKKLGJ-UHFFFAOYSA-N
-rxn:4:184064:223179,CONC(=O)c1cc(-c2cc(C)ccc2CN(C(=O)OC(C)(C)C)C2CCCC2)ccc1F,RSVHUMWWOYEDJO-UHFFFAOYSA-N
-rxn:4:184069:223279,COc1ccc(-c2cnc(C3CCCN3)nc2)c(C(=O)N2CCC(S(=O)(=O)CC(C)C)CC2)c1,LZOBUEJSSOJCPF-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:4:184072:223279,CC(C)(C)OC(=O)N1CCCC(CS(=O)(=O)c2ccc(-c3cnc(C4CCCN4)nc3)cc2)C1,BZLAMIDFBFDCSB-UHFFFAOYSA-N
-rxn:4:184085:223279,Cc1c(OCC2CCN(C(=O)OC(C)(C)C)CC2)cccc1-c1cnc(C2CCCN2)nc1,RJQAVAZBWSVNJO-UHFFFAOYSA-N
-rxn:4:184085:226773,COC(=O)c1c(Cl)ccc(-c2cccc(OCC3CCN(C(=O)OC(C)(C)C)CC3)c2C)c1F,OYHRIVBAOFABMX-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:4:184095:223279,CC(C)(C)[Si](C)(C)OC[C@H]1CCCN1S(=O)(=O)c1ccc(-c2cnc(C3CCCN3)nc2)cc1,QFIMPHJHIHQUHG-FKHAVUOCSA-N
-rxn:4:184095:228960,CC(C)(C)[Si](C)(C)OC[C@H]1CCCN1S(=O)(=O)c1ccc(-c2cc(Cl)cc(F)c2F)cc1,FSTZGGLFPSRJDT-GOSISDBHSA-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:4:184100:223179,CONC(=O)c1cc(-c2cc(C)cc(CN(C(=O)OC(C)(C)C)C3CCC(C)(C)CC3)c2)ccc1F,ZTVQCPUFOSVTNY-UHFFFAOYSA-N
-rxn:4:184100:223279,Cc1cc(CN(C(=O)OC(C)(C)C)C2CCC(C)(C)CC2)cc(-c2cnc(C3CCCN3)nc2)c1,JYGSJLRPAZUUOT-UHFFFAOYSA-N
-rxn:4:184165:222606,CC(=O)Oc1c(-c2cccc(C(F)(F)F)c2C(=O)NC(C)(C)C)cc(N(C(C)=O)S(=O)(=O)c2ccc(Cl)cc2)c2ccccc12,BCNMIYPNMAJFHL-UHFFFAOYSA-N
-rxn:4:184208:223179,CONC(=O)c1cc(-c2ccc(CN(C(=O)OC(C)(C)C)C3CCCC3)c3ccccc23)ccc1F,LWODFFXKFOIVMF-UHFFFAOYSA-N
-rxn:4:184222:226115,CC(C)CC(=O)c1cccc(-c2ccc(CN(C(=O)OC(C)(C)C)C3CCCCC3)c3ccccc23)c1,CTSJSDZEEDBHPY-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:4:184227:226844,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:4:184232:223279,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:4:184413:223899,CCOC(=O)c1cc(C#N)cc(C(F)F)c1-c1ccc(C(=O)N(C(C)C)C(C)C)cc1OC,FQVAUFVXEYUEDB-UHFFFAOYSA-N
-rxn:4:184606:223787,CCOc1cc(C(=O)OC)c([N+](=O)[O-])cc1-c1ccc(OCCCN2CCN(C)CC2)c(F)c1,PATBRDSMDJMSTP-UHFFFAOYSA-N
-rxn:4:184617:223638,CCOC(OCC)c1ccc(-c2cccc(C3CCCN(C(=O)OC(C)(C)C)C3)c2)cn1,PZAGIWLBASDLET-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:4:184748:226844,O=C(c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1OCC(F)(F)F)N1CCC1(F)F,XNDHAGPMPWUPAR-UHFFFAOYSA-N
-rxn:4:184764:224431,COC(=O)c1cc(-c2c(C)cccc2CN(C(C)C)C(C)C)n(C(=O)OC(C)(C)C)c1,FKIAIUAJACNKQI-UHFFFAOYSA-N
-rxn:4:184889:225361,COC(=O)C1CN(Cc2ccc(-c3cn(C4CCCC4)nc3C(F)(F)F)cc2C(F)(F)F)C1,TVKAEXAWXQQRQC-UHFFFAOYSA-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:4:184908:223598,COc1ccc(OCC(=O)N2CCCC2)c(-c2ccc(OCCN3CCC4(CC3)OCCO4)c(F)c2)c1,XLJJSXCJPZRITF-UHFFFAOYSA-N
-rxn:4:184908:224591,COc1ccc(OCC(=O)N2CCCC2)c(-c2ccc(Cl)c(CN3CCC(C)CC3)c2)c1,VUXKQRGJWZKENB-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:4:184930:223179,CONC(=O)c1cc(-c2cc(C(F)(F)F)ccc2OCC(=O)N2CCOCC2)ccc1F,VRYLNJUDFPTWJZ-UHFFFAOYSA-N
-rxn:4:184930:224258,CC1CCCCN1C(=O)c1ccc(-c2cc(C(F)(F)F)ccc2OCC(=O)N2CCOCC2)c(Cl)c1,XNZFNVHWTWZTEJ-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:4:184931:226844,COC(=O)CN1C(=O)C(=Cc2ccc(OC)c(-c3ccnc(C(=O)C(F)(F)F)c3)c2)SC1=S,VWVKHTDCJVUUIG-UHFFFAOYSA-N
-rxn:4:185002:226844,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:4:185004:223179,CONC(=O)c1cc(-c2cc(C(F)(F)F)ccc2OCC(=O)N2CCCCC2)ccc1F,FOFFAPUCWXUMMQ-UHFFFAOYSA-N
-rxn:4:185004:225110,CC(C)(C)OC(=O)Oc1ccc(-c2cc(C(F)(F)F)ccc2OCC(=O)N2CCCCC2)cc1,FAEOYXDXYVHIPK-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:4:185005:223179,CONC(=O)c1cc(-c2ccc(OCC(=O)N3CCCC(C(F)(F)F)C3)cc2)ccc1F,KJGGETWKIXLXKH-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:4:185019:222545,CC(C)N(C(=O)Cc1ccc(-c2ccc(C(C)(C)NC(=O)OC(C)(C)C)cc2)cc1)C(C)C,XDCGAJPVVSEOPC-UHFFFAOYSA-N
-rxn:4:185020:224162,CC(C)N(C(=O)Cc1ccccc1-c1ccc2c(c1)N(C(=O)OC(C)(C)C)CC2)C(C)C,RGKJDPDZWSTLRW-UHFFFAOYSA-N
-rxn:4:185055:222929,OC1CCN(c2cc(-c3cccc(F)c3OCCCN3CCCC(F)(F)C3)cnc2Cl)CC1,XPLSPTFBXPUPJE-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:4:185058:226844,CC(C)(C)OC(=O)N1CC(Oc2cc(F)c(F)cc2-c2ccnc(C(=O)C(F)(F)F)c2)C1,AZXNLUOJLUKAII-UHFFFAOYSA-N
-rxn:4:185061:223179,CONC(=O)c1cc(-c2cc(Cl)cc(F)c2OCCN2CCCC(C(F)(F)F)C2)ccc1F,MCHAFRBLIZYNFR-UHFFFAOYSA-N
-rxn:4:185061:223279,Fc1cc(Cl)cc(-c2cnc(C3CCCN3)nc2)c1OCCN1CCCC(C(F)(F)F)C1,DHMBFLUYABPXFJ-UHFFFAOYSA-N
-rxn:4:185062:223179,CONC(=O)c1cc(-c2cc(Cl)cc(F)c2OCCN2CCC(C(F)(F)F)CC2)ccc1F,VHJWIGXSYKMZNL-UHFFFAOYSA-N
-rxn:4:185092:222715,COC1CCN(CCOc2cccc(-c3cc(Cl)c(F)c(NC(=O)OC(C)(C)C)c3)c2)CC1,ZGUUHYLCSHWLRC-UHFFFAOYSA-N
-rxn:4:185107:222814,CC(C)S(=O)(=O)c1ncc(-c2ccnc(NC(=O)OC(C)(C)C)c2F)cc1C(=O)OC(C)(C)C,GSQIDFLVFVDIRP-UHFFFAOYSA-N
-rxn:4:185107:226020,CC(C)S(=O)(=O)c1ncc(-c2ccc(OC(F)(F)C(F)F)cc2)cc1C(=O)OC(C)(C)C,VFIZVFUDUBWMFZ-UHFFFAOYSA-N
-rxn:4:185111:222546,COC(=O)C1CCN(C(=O)Cc2ccc(F)cc2-c2ccc(OCCNC3CCCCC3)c(F)c2)CC1,OQOBGJDUXCZILT-UHFFFAOYSA-N
-rxn:4:185111:223179,CONC(=O)c1cc(-c2cc(F)ccc2CC(=O)N2CCC(C(=O)OC)CC2)ccc1F,ULMFIAHMFLAPCA-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:4:185113:226844,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:4:185114:226844,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:4:185115:226844,O=C(CS(=O)(=O)c1ccccc1-c1ccnc(C(=O)C(F)(F)F)c1)N1CCCC(C(F)(F)F)C1,RPCXLFNOMRFRRK-UHFFFAOYSA-N
-rxn:4:185117:223179,CONC(=O)c1cc(-c2cccc(S(=O)(=O)CC(=O)N3CCCC(C(F)(F)F)C3)c2)ccc1F,ALNPIUSEDDFNLN-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:4:185143:223179,CONC(=O)c1cc(-c2ccc(N(C(=O)CC(C)C)C3C=CS(=O)(=O)C3)cc2)ccc1F,WDEYQLCKIVILIX-UHFFFAOYSA-N
-rxn:4:185143:225996,CCOc1ncc(C(F)(F)F)cc1-c1ccc(N(C(=O)CC(C)C)C2C=CS(=O)(=O)C2)cc1,UEMFMYWLVWJOOF-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:4:185145:224476,CCOC(=O)C1CCCN(S(=O)(=O)c2ccc(-c3ccc4c(c3)ncn4C3CCCCC3)cc2)C1,XCVWNAKMSISRHH-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:4:185147:223179,CONC(=O)c1cc(-c2ccccc2S(=O)(=O)N2CC(S(=O)(=O)CC(C)C)C2)ccc1F,SCUIVEIRVMXGMF-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:4:185148:225936,CC(C)c1ncc(C(F)(F)F)cc1-c1ccc(S(=O)(=O)C2CN(C(=O)OC(C)(C)C)C2)cc1,RFBWEGCQVMLKLU-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:4:185149:223179,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:4:185161:222929,CC(C)(C)OC(=O)N1CC(c2ccc(C(F)(F)F)cc2-c2cnc(Cl)c(N3CCC(O)CC3)c2)C1,CKAVCTMYFGIQNK-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:4:185162:225665,CC(C)(C)OC(=O)N1CC(c2cc(C(F)(F)F)ccc2-c2ccc(Cl)cc2N2CCCCC2)C1,FXPWUOSNBXBYPF-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:4:185163:223078,CCNS(=O)(=O)c1ccc(-c2cc(C3CN(C(=O)OC(C)(C)C)C3)cc(C(F)(F)F)c2)c(C)c1,NDXYSWMZLWSLBL-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:4:185165:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3ccc(C(F)(F)F)c(C4CN(C(=O)OC(C)(C)C)C4)c3)c2Cl)CC1,GXPDUSHTYAFQFS-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:4:185172:224501,CN1CCCCC1COc1ccc(-c2ccc(C(=O)N3CCCC3CS(=O)(=O)c3ccccc3)o2)cc1,ZPTGVVZXDVMYFS-UHFFFAOYSA-N
-rxn:4:185179:224188,CC(C)N(C(=O)c1ccc(-c2ccc(CN(C(=O)c3ccc(F)cc3)C3CCS(=O)(=O)C3)o2)c(Cl)c1)C(C)C,HQPFVEGIBROBNL-UHFFFAOYSA-N
-rxn:4:185199:225664,COC(=O)c1cc(CN2CCC(OC)CC2)cc(-c2ccc(N3CCCCC3)cc2Cl)c1,RITOAZVMUKIVFV-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:4:185207:226844,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2Cl)C1,MVPCEJZRBBZHKX-UHFFFAOYSA-N
-rxn:4:185210:223179,CCOc1cccc(-c2ccc(F)c(C(=O)NOC)c2)c1CN1CCCC(C(F)(F)F)C1,OJBPMSBQPWQKJA-UHFFFAOYSA-N
-rxn:4:185212:226844,CC(C)(C)OC(=O)N1C(Cc2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2)COS1(=O)=O,PUGAPKKHIXKDDI-UHFFFAOYSA-N
-rxn:4:185224:226844,COc1cc(-c2ccnc(C(=O)C(F)(F)F)c2)cc(OC)c1C(=O)N1CCC(C(F)(F)F)CC1,ZLBDGJDAGXTJQU-UHFFFAOYSA-N
-rxn:4:185236:226844,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:4:185244:223179,CONC(=O)c1cc(-c2cccc(C(=O)N(CC(C)C)C3CCS(=O)(=O)C3)c2)ccc1F,AMSKRBZMWSBNAR-UHFFFAOYSA-N
-rxn:4:185244:224489,CC(C)CN(C(=O)c1cccc(-c2cc(F)ccc2CN(C(C)C)C(C)C)c1)C1CCS(=O)(=O)C1,CQNRMNXJGKEOLD-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:4:185246:226844,CC(C)(C)OC(=O)N1CCC(=O)C1Cc1cccc(-c2ccnc(C(=O)C(F)(F)F)c2)c1,PWKQBHMSPYVKLL-UHFFFAOYSA-N
-rxn:4:185266:227757,CC(C)CN(C1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(-c2cc(Cl)cc(C(F)(F)F)c2)cc1,YACQRMVCSDKBEP-UHFFFAOYSA-N
-rxn:4:185267:223140,CCOC(=O)C1CCN(S(=O)(=O)c2cc(C)cc(-c3ccnc(C4CCCNC4)c3)c2)CC1,WLYFALDNOXPTFW-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:4:185268:226844,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:4:185282:224792,CC(C)CSc1ncc(C(F)(F)F)cc1-c1cccc(CN(C(=O)c2ccccc2Cl)C2CCS(=O)(=O)C2)c1,SYPFKFOHADDMQC-UHFFFAOYSA-N
-rxn:4:185289:222920,Cc1cc(S(=O)(=O)NC2CC2)ccc1-c1cccc(CN(C(=O)c2ccccc2F)C2CCS(=O)(=O)C2)c1,JUXCNQUFJJJKBK-UHFFFAOYSA-N
-rxn:4:185289:223480,Cc1cc(-c2cccc(CN(C(=O)c3ccccc3F)C3CCS(=O)(=O)C3)c2)cc(C)c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,RXCYFOVVMXKGJT-UHFFFAOYSA-N
-rxn:4:185289:224760,O=C(c1ccccc1F)N(Cc1cccc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)c1)C1CCS(=O)(=O)C1,MXBBSAABIQFTMI-UHFFFAOYSA-N
-rxn:4:185293:224485,CC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2ccccc2C(=O)N(Cc2ccccc2F)C2CCS(=O)(=O)C2)c1,AIPMGMLHVGWVES-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:4:185308:224356,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3cc4sc(Cl)cc4n3C(=O)OC(C)(C)C)cc2)CC1,FLKXIIZQVXFWDE-UHFFFAOYSA-N
-rxn:4:185309:225899,Cc1cc(-c2cccc(OC3CCN(C(=O)OC(C)(C)C)CC3)c2)n(C(=O)OC(C)(C)C)n1,LJGDHQCDWADQGK-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:4:185320:223179,CONC(=O)c1cc(-c2ccc(OC3CCN(C(=O)OC(C)(C)C)CC3)c(Cl)c2)ccc1F,QFJMNRVUIAMNKE-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:4:185321:225767,CC(C)COc1c(F)cc(-c2cc(OC3CCN(C(=O)OC(C)(C)C)CC3)ccc2Cl)cc1F,MFRNEELPJWQKHV-UHFFFAOYSA-N
-rxn:4:185322:223279,CC(C)(C)OC(=O)N1CCC(Oc2cc(-c3cnc(C4CCCN4)nc3)ccc2Cl)CC1,KGABACBPMTXTOD-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:4:185343:226844,COc1cc(C=C2SC(=S)N(c3cccc(-c4ccnc(C(=O)C(F)(F)F)c4)c3)C2=O)cc(OC)c1OC,GCAWGLYLNWWLJM-UHFFFAOYSA-N
-rxn:4:185345:223899,COc1cc(C(=O)N(C(C)C)C(C)C)ccc1-c1ccc(S(=O)(=O)c2nc(-c3ccc(F)cc3)oc2S(=O)(=O)C(C)C)cc1,XETXFAWBLDVOFC-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:4:185355:223525,CC(C)(C)OC(=O)N1CCC(C(=O)c2cccc(-c3cccc(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c3)c2)CC1,NRAMPQCEIODGOL-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:4:185367:222818,COC(=O)c1cc(-c2cc(C(C)C)ccc2OCC(=O)N2CCC(C)CC2)c(F)cc1NC(C)=O,JMLZYJUVFZXJTF-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:4:185371:223179,CONC(=O)c1cc(-c2ccc(CC3CCN(C(=O)OC(C)(C)C)CC3)cc2)ccc1F,LVHRYBSRXYCKCD-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:4:185377:226844,CC(C)(C)OC(=O)N1CCC(S(=O)(=O)c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2)CC1,YADCMTRKLCZMPU-UHFFFAOYSA-N
-rxn:4:185378:223179,CONC(=O)c1cc(-c2cccc(S(=O)(=O)C3CCN(C(=O)OC(C)(C)C)CC3)c2)ccc1F,CJRUCJSITNLFPB-UHFFFAOYSA-N
-rxn:4:185378:223279,CC(C)(C)OC(=O)N1CCC(S(=O)(=O)c2cccc(-c3cnc(C4CCCN4)nc3)c2)CC1,NDMWITUJQGEMAO-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:4:185379:223279,CC(C)(C)OC(=O)N1CCC(C(F)(F)c2cccc(-c3cnc(C4CCCN4)nc3)c2)CC1,USCGOYZPCZKCRW-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:4:185382:223507,CC(C)(C)OC(=O)N1CCC(c2cc(-c3ccccc3S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)ccc2C(F)(F)F)CC1,TYTLSHZVHNHEKD-UHFFFAOYSA-N
-rxn:4:185384:227079,CC(C)Cc1ccc(F)c(-c2ccc(C(F)(F)F)cc2C2CCCN(C(=O)OC(C)(C)C)C2)c1,MJHFBJQEWJLZJE-UHFFFAOYSA-N
-rxn:4:185385:223507,CC(C)(C)OC(=O)N1CCC(c2ccc(C(F)(F)F)c(-c3ccccc3S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)CC1,NCRJTTIOZOKFEV-UHFFFAOYSA-N
-rxn:4:185385:223638,CC(C)(C)OC(=O)N1CCC(c2ccc(C(F)(F)F)c(-c3cccc(C4CCCN(C(=O)OC(C)(C)C)C4)c3)c2)CC1,WOBSNPPGZIKHCB-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:4:185405:223279,CC(C)(C)OC(=O)N1CCC(c2ccc(C3CC3)cc2-c2cnc(C3CCCN3)nc2)C1,YJLQEYMEIOHCHG-UHFFFAOYSA-N
-rxn:4:185408:224272,CC(C)(C)OC(=O)N1CCC(c2cc(-c3cc4ccncc4n3C(=O)OC(C)(C)C)ccc2C2CC2)C1,RDHYNFIQBNLENS-UHFFFAOYSA-N
-rxn:4:185415:225826,CN1CCN(c2cncc(-c3ccc(N(C(=O)CC4CCCCC4)C4C=CS(=O)(=O)C4)cc3)c2)CC1,GYONKOQPGLJYHA-UHFFFAOYSA-N
-rxn:4:185419:223179,CONC(=O)c1cc(-c2cc(C3CN(C(=O)OC(C)(C)C)CCO3)ccc2C2CC2)ccc1F,RKZMRTZVNJNRLJ-UHFFFAOYSA-N
-rxn:4:185428:223279,CC1CCN(C(=O)COc2ccc(C(C)(C)C)cc2-c2cnc(C3CCCN3)nc2)CC1,ZSMTUMYSOYAVLH-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:4:185435:223179,CONC(=O)c1cc(-c2ccc(N(C(=O)c3ccc(C(C)(C)C)cc3)C3C=CS(=O)(=O)C3)cc2)ccc1F,GYTWDLCRQGAOOI-UHFFFAOYSA-N
-rxn:4:185435:226844,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:4:185437:223279,CC(C)(C)[Si](C)(C)OC1CCN(Cc2cc(F)ccc2-c2cnc(C3CCCN3)nc2)CC1,HFCUFCYAJBYXHH-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:4:185438:224443,Cc1cc(OCc2ccccc2)ccc1-c1ccc(S(=O)(=O)N2CCC(O[Si](C)(C)C(C)(C)C)CC2)cc1,NZWBOEADIJFAHF-UHFFFAOYSA-N
-rxn:4:185440:224011,CN1CCN(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCC(O[Si](C)(C)C(C)(C)C)CC4)cc3F)cc2F)CC1,DQGOWKOYSNKFLX-UHFFFAOYSA-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:4:185453:222843,Cc1ccc(-c2cccc3c2cc(OS(=O)(=O)C(F)(F)F)n3CC(F)(F)F)c(C(=O)NC(C)(C)C)c1,SWCANSFIOKZXRK-UHFFFAOYSA-N
-rxn:4:185491:223569,CON=CC(C)C(=O)c1ccc2c(-c3cnc4c(ccn4[Si](C(C)C)(C(C)C)C(C)C)c3F)c(OC)ccc2c1,VHBGAJVXWPWDNG-UHFFFAOYSA-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:4:185544:226844,COC1CC2CCC(C1)N2C(=O)CCc1ccccc1-c1ccnc(C(=O)C(F)(F)F)c1,NKPNDGWFIHEAQG-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:4:185555:222759,CC(=O)c1c(C)oc2ccc(N(C(C)=O)S(=O)(=O)c3ccc(-c4cc(C)cc(NC(=O)OC(C)(C)C)c4)cc3)cc12,DAUPPOXSJJOKSH-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:4:185601:225992,Cc1c(C(=O)N(Cc2ccccc2F)C2CCS(=O)(=O)C2)oc2cc(-c3cn(CC(C)C)nc3C(F)(F)F)ccc12,TVLVWAPXNVITRQ-UHFFFAOYSA-N
-rxn:4:185646:224420,Cc1ccc(C(=O)N(c2ccc3oc4c(c3c2)CCCC4)S(=O)(=O)c2ccc(-c3cc4c(cc3C)C(C)(C)CCC4(C)C)cc2)cc1,PXYGNCXDRYGWFP-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:4:186043:223992,CCOC(=O)c1ncc(C(F)(F)F)cc1-c1ccc(C)c(S(=O)(=O)N2CCN(C)CC2)c1,BMITUVRSHSCJQD-UHFFFAOYSA-N
-rxn:4:186235:222389,O=[N+]([O-])c1c(F)cc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)cc1OCC1CC1,VRIPVOVXFJMFON-UHFFFAOYSA-N
-rxn:4:186276:222546,CCOC(=O)c1cc(C)c(-c2ccc(OCCNC3CCCCC3)c(F)c2)cc1[N+](=O)[O-],SPAHEWHDZYPPHN-UHFFFAOYSA-N
-rxn:4:186463:222389,CN(C[C@H]1CO1)S(=O)(=O)c1ccccc1-c1cc(C2CCNCC2)nc(C2CCNCC2)c1,BMVZOHPYYNELCM-NRFANRHFSA-N
-rxn:4:186463:222465,CN(C[C@H]1CO1)S(=O)(=O)c1ccccc1-c1cc(C2CCCCC2)nc(C2CCCNC2)c1,RRTATIVJUWWVKT-IAXKEJLGSA-N
-rxn:4:186463:222466,CN(C[C@H]1CO1)S(=O)(=O)c1ccccc1-c1cc(C2CCCCC2)nc(C2CCNCC2)c1,IRBWHEXMQUOYTR-QFIPXVFZSA-N
-rxn:4:186463:222537,CN(C[C@H]1CO1)S(=O)(=O)c1ccccc1-c1cc(C2CCCC2)nc(C2CCCNC2)c1,XUXJFENZOVDEEI-QWAKEFERSA-N
-rxn:4:186463:222538,CN(C[C@H]1CO1)S(=O)(=O)c1ccccc1-c1cc(C2CCCC2)nc(C2CCNCC2)c1,TWXYZTUDTFPJRP-NRFANRHFSA-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:4:186580:223784,CCC(C)c1cc(-c2ccc(OCCN3CCN(CC)CC3)c(F)c2)c(C(=O)OC)cn1,PKBGYADJDOLGSI-UHFFFAOYSA-N
-rxn:4:186599:223599,COC(=O)C(c1ccc(F)c(-c2cc3cc(C(F)(F)F)ccc3n2C(=O)OC(C)(C)C)c1)N(C)C,DOJNMLAOAOSNOV-UHFFFAOYSA-N
-rxn:4:186646:223574,COc1ccccc1Oc1ccc(-c2cccc(CN3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1[N+](=O)[O-],GIKHPBKNACCBPQ-UHFFFAOYSA-N
-rxn:4:186808:223498,Cc1cccc(C(=O)ON=Cc2ccc(-c3ccc(C(=O)N4CCCN(C(=O)OC(C)(C)C)CC4)cc3)cc2)c1,ZDXSDZNWBXJATD-UHFFFAOYSA-N
-rxn:4:186910:224775,CC(C)(C)S(=O)/N=C/c1cc(C(F)(F)F)ccc1-c1cnc(C(F)(F)F)c(C2CCCC2)c1,OHNTVOQTAFJMJW-IURWMYGYSA-N
-rxn:4:186921:223179,CONC(=O)c1cc(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCOCC3)c2)ccc1F,QRXNHLCMUSCFKH-UHFFFAOYSA-N
-rxn:4:186922:226844,O=C(c1cc(-c2ccc(S(=O)(=O)N3CCOCC3)c(OC(F)(F)F)c2)ccn1)C(F)(F)F,ILCYMZDMSYHQSP-UHFFFAOYSA-N
-rxn:4:186963:224082,CCC(C(=O)OC(C)(C)C)c1cccc(-c2ccc(OC)cc2/C=N/S(=O)C(C)(C)C)c1,YBGCVMZDIGZUOF-WPWMEQJKSA-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:4:187026:226844,O=C1CCN(S(=O)(=O)c2cc(-c3ccnc(C(=O)C(F)(F)F)c3)ccc2OC(F)(F)F)CC1,XKYYKQPUYBFSKH-UHFFFAOYSA-N
-rxn:4:187027:223179,CONC(=O)c1cc(-c2cc(OC(F)(F)F)cc(C(=O)N3CCC(F)(F)CC3)c2)ccc1F,JXJLGHURGZPBCV-UHFFFAOYSA-N
-rxn:4:187046:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1cc(CN2CCC2)ccc1OC(C)C,GWZNAUJJLSGPAK-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:4:187094:226844,O=C(c1cc(-c2ccc(CN3CCC(F)(F)CC3)c(OC(F)(F)F)c2)ccn1)C(F)(F)F,FFBVLOVWNGJVEX-UHFFFAOYSA-N
-rxn:4:187095:223179,CONC(=O)c1cc(-c2cc(OC(F)(F)F)cc(C(=O)N3CCOC(C)C3)c2)ccc1F,UYVGJIQNJOFWHC-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:4:187101:222545,CC(C)N(Cc1cc(-c2ccc(C(C)(C)NC(=O)OC(C)(C)C)cc2)ccc1F)C(C)C,SAZNUQADQSGSPO-UHFFFAOYSA-N
-rxn:4:187103:223568,Cc1c(-c2cnc3c(ccn3[Si](C(C)C)(C(C)C)C(C)C)c2Cl)cccc1N(C)C(=O)OC(C)(C)C,FMJAPPWTQKVECF-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:4:187144:223179,CONC(=O)c1cc(-c2cc(CC(=O)N3CCCC(C(F)(F)F)C3)ccc2Cl)ccc1F,DDEMLFAZSVQPFZ-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:4:187146:223179,CONC(=O)c1cc(-c2ccc(F)cc2CC(=O)N2CCCC(C(F)(F)F)C2)ccc1F,RYIMPLPCSWOMLB-UHFFFAOYSA-N
-rxn:4:187146:225731,CCOC(=O)c1ccc(-c2ccc(F)cc2CC(=O)N2CCCC(C(F)(F)F)C2)c(OC)c1,PQVUHYSUPBDNNO-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:4:187148:223179,CONC(=O)c1cc(-c2ccc(CC(=O)N3CCCC(C(F)(F)F)C3)cc2F)ccc1F,ZQRMVYBBQFLJJD-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:4:187151:223179,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:4:187152:223179,CONC(=O)c1cc(-c2cc(F)ccc2CC(=O)N2CCC(C(F)(F)F)CC2)ccc1F,GQFJCPOHCZKTJS-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:4:187153:223179,CONC(=O)c1cc(-c2ccc(S(=O)(=O)CC(=O)N3CCCC(F)(F)C3)cc2)ccc1F,XAQOKULXEWDOGJ-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:4:187155:226844,O=C(CS(=O)(=O)c1ccccc1-c1ccnc(C(=O)C(F)(F)F)c1)N1CCCC(F)(F)C1,NSOJQHIJNIZINH-UHFFFAOYSA-N
-rxn:4:187156:226844,O=C(CS(=O)(=O)c1ccccc1-c1ccnc(C(=O)C(F)(F)F)c1)N1CCC(F)(F)CC1,KISFTURZNRFWPG-UHFFFAOYSA-N
-rxn:4:187157:223179,CONC(=O)c1cc(-c2cccc(S(=O)(=O)CC(=O)N3CCCC(F)(F)C3)c2)ccc1F,IDTQHKKGMIXZAW-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:4:187158:223179,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:4:187190:223504,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cccc(C4CN(C(=O)OC(C)(C)C)C4)c3)cc2[N+](=O)[O-])CC1,CWCUPXQSIWKASH-UHFFFAOYSA-N
-rxn:4:187190:223579,CC1CN(C(=O)OC(C)(C)C)CCN1c1ccc(-c2cccc(C3CN(C(=O)OC(C)(C)C)C3)c2)cc1,PALUUAGZMVOTFM-UHFFFAOYSA-N
-rxn:4:187213:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2ccc(C3CN(C(=O)OC(C)(C)C)C3)c(F)c2)cc1,ZXBNLKNEVZUXDS-UHFFFAOYSA-N
-rxn:4:187226:225762,CC(C)COc1cc(-c2ccc(N(C(=O)C(C)C)C3C=CS(=O)(=O)C3)cc2)cc(Cl)c1F,UFNXRTFLCYLFDF-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:4:187270:226844,O=C(c1cc(-c2ccc(C(F)(F)F)cc2CN2CCCC(C(F)(F)F)C2)ccn1)C(F)(F)F,ASMUVWMFDXFYAG-UHFFFAOYSA-N
-rxn:4:187276:223179,CONC(=O)c1cc(-c2cc(C(F)(F)F)cc(S(=O)(=O)N3CCC(C(F)(F)F)CC3)c2)ccc1F,VLLOFAUEEPGVRF-UHFFFAOYSA-N
-rxn:4:187285:222717,Cc1cc(-c2ccc(C(=O)N(C(C)C)C(C)C)cc2C)c(S(=O)(=O)NC(C)(C)C)cc1F,MBMAVXOQGLGGJV-UHFFFAOYSA-N
-rxn:4:187287:222545,Cc1cccc(C(=O)N(C(C)C)C(C)C)c1-c1ccc(C(C)(C)NC(=O)OC(C)(C)C)cc1,QXQZWAYLMYJCDG-UHFFFAOYSA-N
-rxn:4:187287:222646,Cc1cc(NC(=O)OC(C)(C)C)cc(C)c1-c1c(C)cccc1C(=O)N(C(C)C)C(C)C,QIAWZLSADRNFDM-UHFFFAOYSA-N
-rxn:4:187287:223898,Cc1cccc(C(=O)N(C(C)C)C(C)C)c1-c1ccc(N(C(=O)OC(C)(C)C)C(C)C)cc1,TUWGVAZRSSPBJU-UHFFFAOYSA-N
-rxn:4:187303:222828,COC1CCN(CCc2cc(F)ccc2-c2cc(F)c(F)cc2S(=O)(=O)NC2CC2)CC1,YFEGOBOZLBAGCW-UHFFFAOYSA-N
-rxn:4:187311:222634,CC1CCCN(CCOc2c(F)cc(Cl)cc2-c2ccc(OCCNC3CCCC3)c(F)c2)C1,XGDLRLQFDGPTJP-UHFFFAOYSA-N
-rxn:4:187313:222741,CCOc1ccc(-c2cc(C3CC3)nc(C3CCCNC3)c2)cc1S(=O)(=O)N1CCCCC1,NALSCWLSGHNMDO-UHFFFAOYSA-N
-rxn:4:187327:223167,CC(C)(C)OC(=O)N1[C@@H](c2cccc(-c3ccnc(N4CCNCC4)c3)c2)COS1(=O)=O,WRSPQQNRVHOHRI-LJQANCHMSA-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:4:187336:226844,COc1cc(-c2ccnc(C(=O)C(F)(F)F)c2)cc(OC)c1C(=O)N1CCCC(F)(F)C1,ILXJRAZWHJQSFE-UHFFFAOYSA-N
-rxn:4:187388:223179,CONC(=O)c1cc(-c2ccc(CC(=O)N3CCC(C(F)(F)F)CC3)cc2C)ccc1F,GVAAEDWCSVQGHK-UHFFFAOYSA-N
-rxn:4:187389:223179,CONC(=O)c1cc(-c2ccc(CC(=O)N3CCCC(C(F)(F)F)C3)cc2C)ccc1F,IBEYJIMDFIWADE-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:4:187422:223946,CCN(C(=O)OC(C)(C)C)c1ccc(-c2cc(C(=O)OC)c(C)c(N(C)C3CCCC3)c2)c(Cl)c1,ICSNUHHSEDRSQG-UHFFFAOYSA-N
-rxn:4:187427:225223,COC(=O)c1cc(-c2cnc(N3CCC(C)CC3)cc2F)ccc1CN1CCCC(C)C1,OUWRJRNQFXFDDU-UHFFFAOYSA-N
-rxn:4:187430:222645,COC(=O)c1cc(CN2CCCC(C)C2)cc(-c2cccc(OCCN3CCC(O)CC3)c2)c1,IFHMEDRFWDLWMR-UHFFFAOYSA-N
-rxn:4:187440:224371,COC(=O)C1CCN(c2ncc(-c3coc(C4CCCN(C(=O)OC(C)(C)C)C4)c3)cn2)CC1,HDEAXQPZSGGRSN-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:4:187488:223901,CCOc1ccc(-c2ccc(OCCN3CCC(C)CC3)c(Cl)c2)cc1S(=O)(=O)N1CCC(C)CC1,RBCNPFLEWWATHC-UHFFFAOYSA-N
-rxn:4:187499:222742,COc1cc(-c2cc(C3CCNCC3)nc(C3CC3)c2)cc(OC)c1C(=O)N1CCCC(C)C1,NRNRGJKNMYGJOD-UHFFFAOYSA-N
-rxn:4:187503:223179,CONC(=O)c1cc(-c2ccc(OCCN3CCC4(CC3)OCCO4)c(Cl)c2)ccc1F,ULXUQJPOMDQXHM-UHFFFAOYSA-N
-rxn:4:187504:223179,CONC(=O)c1cc(-c2ccc(OCCN3CCC4(CC3)OCCO4)c(F)c2)ccc1F,UVTFAHOJGBGQOD-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:4:187537:223179,CONC(=O)c1cc(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)ccc1F,NHRXQUJPRMTMBJ-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:4:187554:224413,COc1cc(C(F)(F)F)cc(C(F)(F)F)c1-c1cccc(C(=O)N2CCC(S(=O)(=O)C(C)(C)C)C2)c1,JDOZWIVKMNZLSE-UHFFFAOYSA-N
-rxn:4:187555:226844,O=C(CCc1ccccc1-c1ccnc(C(=O)C(F)(F)F)c1)N1CCC2(CC1)OCCS2,FOCQJZMUANZRGL-UHFFFAOYSA-N
-rxn:4:187557:223904,CC(C)(C)OC(=O)N1CC(c2cccc(-c3ccc([C@H]4CCCC(=O)N4C(=O)OC(C)(C)C)cc3)c2)C1,RMFAUASDQZMGBX-RUZDIDTESA-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:4:187561:223846,Cc1cc(-c2ccc(Cl)c(C(=O)N3CCC(S(=O)(=O)C(C)(C)C)C3)c2)cc(C2CC3CCC2(C)C3(C)C)c1,QVEQUERMWASTFL-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:4:187569:225278,COC(=O)c1ccc(C(=O)OC)c(-c2cc(C)ccc2OCC(=O)N2C(C)CCCC2C)c1,YJTACUFFPAAAJL-UHFFFAOYSA-N
-rxn:4:187580:223179,CONC(=O)c1cc(-c2ccc(C3CCN(C(=O)OC(C)(C)C)CC3C)o2)ccc1F,HIEHPAPGQQYBGP-UHFFFAOYSA-N
-rxn:4:187581:223179,CONC(=O)c1cc(-c2coc(C3CCN(C(=O)OC(C)(C)C)CC3C)c2)ccc1F,SPFJNRTTWWYSFB-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:4:187583:226844,CC(C)(C)OC(=O)N1CCC(c2cc(-c3ccnc(C(=O)C(F)(F)F)c3)ccc2Cl)CC1,SYSBPYLBPQGLLZ-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:4:187588:226844,CC(C)(C)OC(=O)N1CCC(F)(c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2)CC1,NZHKHJWKEYEMNI-UHFFFAOYSA-N
-rxn:4:187589:226765,COC(=O)c1ccc(-c2cc(C3CCCN(C(=O)OC(C)(C)C)C3)ccc2F)c(F)c1F,VKVYUYAYCZEZGH-UHFFFAOYSA-N
-rxn:4:187590:223932,CC(C)(C)OC(=O)N1CCCC(c2ccc(-c3cc4c(Cl)cccc4n3C(=O)OC(C)(C)C)c(F)c2)C1,FHWTUPKDZBIORJ-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:4:187626:226844,CCOc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1S(=O)(=O)N1CC(C)CC(C)C1,VWAZEASCXDATLY-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:4:187631:226844,CC(C)(C)OC(=O)N1CCC(=Cc2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2)CC1,PCBIYBBFPIEYMC-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:4:187633:226062,CC(C)c1cc(-c2cccc(C3(C)CN(C(=O)OC(C)(C)C)CCO3)c2)cc(C(C)C)c1,POICNTOFXPTQBI-UHFFFAOYSA-N
-rxn:4:187634:226512,O=C(C1CCCCC1)N(c1ccc(-c2ccncc2OCC2CCO2)cc1)C1C=CS(=O)(=O)C1,QPEGCZUJULBWFC-UHFFFAOYSA-N
-rxn:4:187634:226586,O=C(C1CCCCC1)N(c1ccc(-c2ccnc(OC3CCOC3)c2)cc1)C1C=CS(=O)(=O)C1,XCTUKRGJMYMDTN-UHFFFAOYSA-N
-rxn:4:187643:226844,O=C(CCc1ccccc1-c1ccnc(C(=O)C(F)(F)F)c1)N1CCC2(CC1)OCCCO2,IEZZXDCWGUHDQG-UHFFFAOYSA-N
-rxn:4:187648:226844,CC(C)(C)OC(=O)N1CCCC(C)(c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2)C1=O,QHNURJFOVSOUJW-UHFFFAOYSA-N
-rxn:4:187659:226844,CC(C)(C)OC(=O)N1CCC(C)(c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2)CC1,CGPCNSFJLNBPHW-UHFFFAOYSA-N
-rxn:4:187663:225665,Cc1cc(-c2ccc(Cl)cc2N2CCCCC2)ccc1C1CCCN(C(=O)OC(C)(C)C)C1,RQMCPEGWGATKIX-UHFFFAOYSA-N
-rxn:4:187670:225233,CC1CCCN(c2cc(-c3cc(Cl)cc(C4CCN(C(=O)OC(C)(C)C)CC4C)c3)cnc2Cl)C1,IHDANIIVYZMRMV-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:4:187681:223279,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:4:187690:226844,O=C(c1cccc(CN2CCC3(CC2)OCCO3)c1)c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)c(F)c1,URHXPALFOMSVDM-UHFFFAOYSA-N
-rxn:4:187727:223687,CCCC(=O)Oc1c[nH]c2ccc(-c3cnc(N4CCN(C(=O)OC(C)(C)C)CC4)nc3)c(Cl)c12,BGLWSQDAJGSOCG-UHFFFAOYSA-N
-rxn:4:187811:223946,CCN(C(=O)OC(C)(C)C)c1ccc(-c2ccc3c(C(F)F)cn(C(=O)OC(C)(C)C)c3c2)c(Cl)c1,KVYVZDZRMQWDJX-UHFFFAOYSA-N
-rxn:4:187828:226762,CSc1cc(-c2ccc3c(c2)S(=O)(=O)N(CC(=O)OC(C)(C)C)C3=O)cc(C(F)(F)F)c1,LMBRWMSIDFXYMI-UHFFFAOYSA-N
-rxn:4:187878:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3ccc4cc(N(C)C(=O)OC(C)(C)C)ccc4c3)cc21,HLZWZHILQHRNHH-UHFFFAOYSA-N
-rxn:4:187918:223673,COc1cc(-c2cccc(COc3cc(C(F)(F)F)ccc3Cl)c2)cc2c1OCCN(C(=O)OC(C)(C)C)C2,AHKBTFBIMYGTLX-UHFFFAOYSA-N
-rxn:4:187939:222630,O=C(c1cc2ccccc2oc1=O)N(c1ccc(-c2cc(C3CCC3)nc(C3CCNCC3)c2)cc1)C1C=CS(=O)(=O)C1,HYVXCLQDMXHGBN-UHFFFAOYSA-N
-rxn:4:187943:223179,CONC(=O)c1cc(-c2ccc(OC)c3c2CCN(C(=O)OC(C)(C)C)CC3)ccc1F,KGZFVPRJNDKRAQ-UHFFFAOYSA-N
-rxn:4:187943:226844,COc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)c2c1CCN(C(=O)OC(C)(C)C)CC2,KWBIHJRTRRVHMV-UHFFFAOYSA-N
-rxn:4:187948:226889,COc1ccc(-c2cc(Cl)cc(C(F)(F)F)c2F)c(C(=O)N2C3CCC2CC(S(C)(=O)=O)C3)c1,PWAWMTMGBJRNEN-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:4:187968:223896,COc1cccc(-c2ccc3c(ccn3[Si](C(C)C)(C(C)C)C(C)C)c2)c1C(=O)N(C(C)C)C(C)C,NMRBAKBOEYRBFU-UHFFFAOYSA-N
-rxn:4:187970:223872,CCN(C(=O)c1cccc(-c2cn([Si](C(C)C)(C(C)C)C(C)C)c3ccccc23)c1)C1CCCCC1,ZDEBTJKCPFXWEJ-UHFFFAOYSA-N
-rxn:4:187985:223279,CC(C)(C)OC(=O)N1CCC2(c3ccc(-c4cnc(C5CCCN5)nc4)cc3)CCOCC12,FFFZARMLHWUOTP-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:4:188005:226844,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:4:188013:226844,O=C(Oc1ccc(N2C(=O)C3C4CCC(C4)C3C2=O)cc1)c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1,WWHYBMPRMLBGIC-UHFFFAOYSA-N
-rxn:4:188014:226844,O=C(Oc1ccccc1N1C(=O)C2C3CCC(C3)C2C1=O)c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1,ZVRWOCWYIYKXBH-UHFFFAOYSA-N
-rxn:4:188927:223885,CCS(=O)(=O)c1cc(C(F)(F)F)cnc1-c1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2,APGGSVLBYNBGHW-UHFFFAOYSA-N
-rxn:4:189176:222725,CCNS(=O)(=O)c1ccc(-c2c(C(F)(F)F)ccc(F)c2C(=O)N(C)C)c(C(F)(F)F)c1,HVMBECPEBPTNTN-UHFFFAOYSA-N
-rxn:4:189357:222513,COC(=O)c1cc(S(N)(=O)=O)c(-c2cc(S(=O)(=O)NC3CCCCC3)ccc2OC)cc1C,GIVONPKYKOIFQG-UHFFFAOYSA-N
-rxn:4:189357:223786,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccc(OCCCN3CCN(C)CC3)c(Cl)c2)cc1C,KSYIQRSZAHWOBV-UHFFFAOYSA-N
-rxn:4:189643:223527,CCN(C)S(=O)(=O)c1ccc(-c2ccc(F)cc2CN2CCN(C(=O)OC(C)(C)C)CC2)c(C)c1,YBPZUMOZGOLLFA-UHFFFAOYSA-N
-rxn:4:189712:222606,CN(C)S(=O)(=O)c1cc(-c2cccc(C(F)(F)F)c2C(=O)NC(C)(C)C)cc(C(C)(F)F)c1,FKMXYVSOXUIJEQ-UHFFFAOYSA-N
-rxn:4:189712:224174,CCN(C(=O)OC(C)(C)C)c1ccc(-c2cc(C(C)(F)F)cc(S(=O)(=O)N(C)C)c2)cc1,RLXQARVOHJMDOG-UHFFFAOYSA-N
-rxn:4:189810:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3ccc(C(=O)OC)c(N4CCCC4)c3)cc2)CC1,LZDFTCOZTCGJAM-UHFFFAOYSA-N
-rxn:4:189835:223696,O=S(=O)(c1ccc(-c2cc(CN3CCCC3)cc(C(F)(F)F)c2)cc1)N1CCC2(CC1)OCCO2,HRVFVIJOKQFWFN-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:4:189888:226844,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:4:189973:222851,CCc1cc(-c2cc(C(F)(F)F)cc(S(=O)(=O)N3CCOCC3)c2)cc(C2CCNCC2)n1,DQGFRNJZVBPGCP-UHFFFAOYSA-N
-rxn:4:189973:225977,O=S(=O)(c1cc(-c2cc(Cl)cnc2N2CCOCC2)cc(C(F)(F)F)c1)N1CCOCC1,LISZXCAHLPKSPY-UHFFFAOYSA-N
-rxn:4:189998:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3ccc(C)cc3/C=N/S(=O)C(C)(C)C)cc21,FSVHHFINGSGPEL-UXHLAJHPSA-N
-rxn:4:190018:222810,CN(C(=O)c1ccccc1-c1cc(NC(=O)OC(C)(C)C)ncc1Cl)C1CCS(=O)(=O)C1,SBJGJCBVWIPKDD-UHFFFAOYSA-N
-rxn:4:190019:224609,CC(C)N(C(=O)c1ccncc1-c1cccc(C(=O)N(C)C2CCS(=O)(=O)C2)c1)C(C)C,MDLNZCPQQLJSBQ-UHFFFAOYSA-N
-rxn:4:190143:224322,COC1CCN(C(=O)c2cccc(-c3ccc(S(=O)(=O)N4CCC(C)CC4)cc3)c2F)CC1,XCKNPDGORCSGLO-UHFFFAOYSA-N
-rxn:4:190168:224080,COC(=O)c1cc(F)c(N2CCC(F)(F)CC2)cc1-c1ccc(OCCCN2CCCCC2)cc1,REUDQXLTJKLHNT-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:4:190171:226844,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:4:190173:226844,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:4:190173:227508,COC(=O)c1cc(-c2cc(S(=O)(=O)N3CCC(C(F)(F)F)CC3)c(F)cc2F)cc(C)n1,CPTJFUGWAJMYBX-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:4:190175:226844,O=C(c1cc(-c2cc(S(=O)(=O)N3CCCCC3C(F)(F)F)c(F)cc2F)ccn1)C(F)(F)F,SGCGRJYYJUCDHQ-UHFFFAOYSA-N
-rxn:4:190180:223179,CONC(=O)c1cc(-c2cc(C(F)(F)F)cc(S(=O)(=O)N3CCC(F)(F)CC3)c2)ccc1F,NPFWLJFXBLBQKC-UHFFFAOYSA-N
-rxn:4:190180:226844,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:4:190214:224327,COc1cc(S(=O)(=O)N2CCCCC2)ccc1-c1cccc(S(=O)(=O)N2CCCC(C)C2)c1,HPLKPRHRYFNQST-UHFFFAOYSA-N
-rxn:4:190276:225205,Cc1cc(C(F)(F)F)c(C2CC2)cc1-c1ccc(C(=O)N(C)C2(C)CCS(=O)(=O)C2)cc1,SQRGINJNOKUFAW-UHFFFAOYSA-N
-rxn:4:190304:223832,COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1-c1ccc(CCN2CCC(C)CC2)cc1,LVGNQMZDSOFUNB-UHFFFAOYSA-N
-rxn:4:190304:223958,CCN1CCN(C(=O)c2ccc(-c3ccc(CCN4CCC(C)CC4)cc3)cc2F)CC1,KPNBUFNQTLDZGV-UHFFFAOYSA-N
-rxn:4:190320:224777,COc1ccc(-c2cnc(C3CCCC3)c(C(F)(F)F)c2)c(C(=O)N2CCCCC2C)c1,HWSGGPLRYIDJDV-UHFFFAOYSA-N
-rxn:4:190330:223582,COC(=O)c1ccc2cc(-c3ccc(C4CCCN4S(=O)(=O)C(C)C)cc3)n(C(=O)OC(C)(C)C)c2c1,OSSGACCSNVMXMX-UHFFFAOYSA-N
-rxn:4:190354:223179,CONC(=O)c1cc(-c2cc(C)cc(S(=O)(=O)N3CCC(C(F)(F)F)CC3)c2)ccc1F,WYSLMGFDPFNLHI-UHFFFAOYSA-N
-rxn:4:190356:223179,CONC(=O)c1cc(-c2cc(C(=O)N3CCC4(CC3)CC4)ccc2C(F)(F)F)ccc1F,LJJRCGWHWJVJPF-UHFFFAOYSA-N
-rxn:4:190357:226844,O=C(c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)c(C(F)(F)F)c1)N1CCC2(CC1)CC2,GFILJSFKDLZTSX-UHFFFAOYSA-N
-rxn:4:190379:224619,COc1cc(S(=O)(=O)N2CCCC(C)C2)ccc1-c1ccc(OCCN2CCCC2)c(F)c1,DUMXNXGVYOZITL-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:4:190452:226844,COc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1S(=O)(=O)N1CCC2(CC1)OCCO2,KNYSVGCHUHRKNC-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:4:190823:223818,CC(C)(C)OC(=O)N1Cc2cc(-c3c(F)cc(F)c4c3ccn4C(=O)OC(C)(C)C)ccc2C1=O,ZKFMMQSGOHKSDU-UHFFFAOYSA-N
-rxn:4:190857:223774,COc1cccc2c1cc(-c1cc3c(s1)CN(C(=O)OC(C)(C)C)CC3)n2C(=O)OC(C)(C)C,BVMVXQNWELYHJH-UHFFFAOYSA-N
-rxn:4:190870:222912,CC(C)CNS(=O)(=O)c1ccc(-c2ccc3c(c2)OCC(=O)N3C(=O)OC(C)(C)C)cc1,XSDGRSBQRISQLW-UHFFFAOYSA-N
-rxn:4:190893:223520,Cc1ccc2cc(-c3ccc(C(C)N4CCN(C(=O)OC(C)(C)C)CC4)cc3)n(C(=O)OC(C)(C)C)c2c1,WOENLGLFMCMMDU-UHFFFAOYSA-N
-rxn:4:190932:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2ccc3c(c2)C(=O)CN(C(=O)OC(C)(C)C)C3)cc1,BUWCINSBSSPFFI-UHFFFAOYSA-N
-rxn:4:190955:222635,C[C@H](NC(=O)OC(C)(C)C)c1cccc(-c2cccc3c2CN(C(=O)OC(C)(C)C)CC3)c1,DIVWIBNVSACJHO-SFHVURJKSA-N
-rxn:4:191008:222918,CC(C)(C)NS(=O)(=O)c1cccc(-c2ccc3c(c2)C(=O)N(C(=O)OC(C)(C)C)C3(C)C)c1,PVULLXMPJCMVLT-UHFFFAOYSA-N
-rxn:4:191031:222637,CC(NC(=O)OC(C)(C)C)c1ccc(-c2ccc3c(c2)CCN(C(=O)OC(C)(C)C)CC3)cc1,PMBMQSUFFYOEBO-UHFFFAOYSA-N
-rxn:4:191041:223179,CONC(=O)c1cc(-c2cccc(C(=O)N3C4CCC3CC(S(C)(=O)=O)C4)c2)ccc1F,HZKJRKWEIRQKDV-UHFFFAOYSA-N
-rxn:4:191042:223492,Cc1cc(-c2ccc3c(c2)C(=O)C2(C3)CN(C(=O)OC(C)(C)C)C2)ccc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,WBYKFENHSWMTRX-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:4:191063:226844,CC(C)(C)OC(=O)N1CC2(CC(=O)c3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3O2)C1,VDTLEQYONGRMKS-UHFFFAOYSA-N
-rxn:4:191071:226844,O=C1COc2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2CN1CCC1=CCCCC1,GYBOCKMZJLTCCV-UHFFFAOYSA-N
-rxn:4:191087:223881,Cc1ccc2cc(-c3ccc4c(c3)N(C(=O)OC(C)(C)C)CCC4(C)C)n(C(=O)OC(C)(C)C)c2c1,UPHVETYMJPUABO-UHFFFAOYSA-N
-rxn:4:191087:225744,CC(C)(C)OC(=O)c1cncc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CCC3(C)C)c1,VDLRNNREKCIOFF-UHFFFAOYSA-N
-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
-rxn:4:191105:223279,CC(C)(C)OC(=O)N1CCC2(C=Cc3cccc(-c4cnc(C5CCCN5)nc4)c32)CC1,JFFIMDPMOXLRAZ-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:4:191118:223636,CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)c1ccc(-c3ccc(C4CCCN(C(=O)OC(C)(C)C)C4)cc3)cc12,SACMUOJCKPDEDF-UHFFFAOYSA-N
-rxn:4:191121:228449,CSc1cc(-c2ccc3c(c2F)C(=O)C2(CCN(C(=O)OC(C)(C)C)CC2)C3)c(F)cc1Cl,PHRVSTPQAZDFJS-UHFFFAOYSA-N
-rxn:4:191125:223279,CC(C)(C)OC(=O)N1CCC2(CCc3cc(-c4cnc(C5CCCN5)nc4)ccc32)CC1,LQSCVJWVJZDVEP-UHFFFAOYSA-N
-rxn:4:191126:223634,CCN(Cc1ccccc1)C(=O)c1cc(-c2ccc3c(c2)C(=O)CC2(CCN(C(=O)OC(C)(C)C)CC2)O3)ccc1F,HEFXMEPOCYKCHX-UHFFFAOYSA-N
-rxn:4:191126:223669,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc4c(c3)C(=O)CC3(CCN(C(=O)OC(C)(C)C)CC3)O4)cn2)CC1,USGXWPFKAPQDNE-UHFFFAOYSA-N
-rxn:4:191129:223279,CC(C)(C)OC(=O)N1CCC2(CCc3cc(-c4cnc(C5CCCN5)nc4)ccc3O2)CC1,PAPFZQKUPQERCW-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:4:191136:226844,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:4:191138:223279,CCc1ccccc1N1C(=O)C2C(c3ccc(-c4cnc(C5CCCN5)nc4)cc3)OC3(C(=O)c4ccccc4C3=O)C2C1=O,NBEIDJNQQDIWEB-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:4:191173:224647,CC1=CC(C)(C)N2C(=O)C(=O)c3cc(OC(=O)c4cccc(-c5cc(O[Si](C)(C)C(C)(C)C)ccc5F)c4)cc1c32,VEIBZKKFIJBLLF-UHFFFAOYSA-N
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-rxn:4:199692:226539,CCOC(=O)c1ccc(Cl)cc1-c1ccc(OC2CCN(C(=O)OC(C)(C)C)CC2)c(C#N)c1,ZWLHURJREBULEC-UHFFFAOYSA-N
-rxn:4:199694:223279,COc1ccc(-c2cnc(C3CCCN3)nc2)cc1CCC(=O)N1CCC(N2C(=O)CSC2=O)C1,ZUNLLDHASRTVFQ-UHFFFAOYSA-N
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-rxn:4:199790:224010,COc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1cc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)ccc1OC,FFQJHHMFFKUHAB-UHFFFAOYSA-N
-rxn:4:199790:224698,COc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1cnc(Cl)c(-c2ccccc2OC)c1,GULCQMOMUXVKQT-UHFFFAOYSA-N
-rxn:4:199790:225350,COC(=O)c1cc(C(F)(F)F)ccc1-c1cc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)ccc1OC,LSPXAQWYZHNOEC-UHFFFAOYSA-N
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-rxn:4:199828:223279,CN(Cc1c(Cl)cccc1-c1cnc(C2CCCN2)nc1)C1CCN(C(=O)OC(C)(C)C)CC1,LQEIBTDWUUWELC-UHFFFAOYSA-N
-rxn:4:199829:223279,CC1CN(CCc2cc(-c3cnc(C4CCCN4)nc3)ccc2Cl)CCN1C(=O)OC(C)(C)C,ZKSWFNYOLVGNFQ-UHFFFAOYSA-N
-rxn:4:199831:223279,C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1CCc1cc(-c2cnc(C3CCCN3)nc2)ccc1F,WQDJTHODDBSAPX-FKSKYRLFSA-N
-rxn:4:199832:223279,CC1CN(CCc2cc(F)ccc2-c2cnc(C3CCCN3)nc2)CCN1C(=O)OC(C)(C)C,MMKSDUSZHFXMFX-UHFFFAOYSA-N
-rxn:4:199846:223506,CCOc1ccc(-c2cccc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1S(=O)(=O)N1CCN(c2ccccc2OC)CC1,RQGNLBSPJSHCPW-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:4:199848:226844,CCOc1cc(S(=O)(=O)N2CCN(c3ccccc3OC)CC2)ccc1-c1ccnc(C(=O)C(F)(F)F)c1,WFSQHOBIJCZOTP-UHFFFAOYSA-N
-rxn:4:199849:226844,C[C@@H]1CN(S(=O)(=O)c2cc(-c3ccnc(C(=O)C(F)(F)F)c3)cc(C(F)(F)F)c2)CCN1C(=O)OC(C)(C)C,JGLVGFHSBVMRAP-CQSZACIVSA-N
-rxn:4:199851:223279,O=C1C(=Cc2ccc(-c3ccc(-c4cnc(C5CCCN5)nc4)cc3)o2)SC(=S)N1CCCN1CCOCC1,KMQQQRYVNHKQBK-UHFFFAOYSA-N
-rxn:4:199862:223279,CCCOc1ccc(-c2cnc(C3CCCN3)nc2)cc1S(=O)(=O)N1CCN(c2cccc(Cl)c2C)CC1,CMWNKHFBDMZHSG-UHFFFAOYSA-N
-rxn:4:199863:223175,CCCOc1cc(S(=O)(=O)N2CCN(c3ccc(C)c(Cl)c3)CC2)ccc1-c1cccc(NS(=O)(=O)CC)c1,IWFGMQUCVGIKAT-UHFFFAOYSA-N
-rxn:4:199865:223179,CONC(=O)c1cc(-c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)C[C@@H]3c3ccc(Cl)cc3)cc2)ccc1F,ZMZNGAPJFOFSQY-AREMUKBSSA-N
-rxn:4:199866:223179,CONC(=O)c1cc(-c2ccc(-c3ccc(C=C(C(=O)N4CCOCC4)C(=O)N4CCOCC4)o3)cc2)ccc1F,CNDMAWLBSCQBHP-UHFFFAOYSA-N
-rxn:4:199866:223279,O=C(C(=Cc1ccc(-c2ccc(-c3cnc(C4CCCN4)nc3)cc2)o1)C(=O)N1CCOCC1)N1CCOCC1,QRUYJJZAXNOHBO-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:4:199869:223179,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:4:199870:222729,CCCOc1cc(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)ccc1-c1cc(CCC)nc(C2CCCNC2)c1,MMYSUWQKPDUCCO-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:4:199873:223279,CC(C)(C)OC(=O)N1CCC(C(=O)N2CCCC2c2ccc(-c3cnc(C4CCCN4)nc3)cc2)CC1,GIVXWWQUHOCMPF-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
-rxn:4:199874:223279,CC(C)(C)OC(=O)N1CCCC(C(=O)N2CCCC2c2ccc(-c3cnc(C4CCCN4)nc3)cc2)C1,ONRLGJOEMMOOGI-UHFFFAOYSA-N
-rxn:4:199878:223279,CC1CN(Cc2cc(-c3cnc(C4CCCN4)nc3)cc(C(C)(C)C)c2)CCN1C(=O)OC(C)(C)C,PRVPHVOHOJJWNW-UHFFFAOYSA-N
-rxn:4:199879:223279,C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1cc(-c2cnc(C3CCCN3)nc2)cc(C(C)(C)C)c1,VVRQYACMFPTABV-VGOKPJQXSA-N
-rxn:4:199881:223279,COc1cc(C(=O)N2C(=S)C(c3ccc(-c4cnc(C5CCCN5)nc4)cc3)=NC23CCCCCC3)cc(OC)c1OC,LBOANXRCNGAGOU-UHFFFAOYSA-N
-rxn:4:199882:223179,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:4:199882:223279,C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)CN1Cc1cc(-c2cnc(C3CCCN3)nc2)cc(C(C)(C)C)c1,XIMQABMGFOWUQL-CFNLWSCMSA-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
-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
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-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:4:199999:223256,COC(=O)Nc1ccc(-c2ccc3c(=NC(=O)OC(C)(C)C)n(C(=O)OC(C)(C)C)ccc3c2)cc1,AXJVMHXBUKNPMK-UHFFFAOYSA-N
-rxn:4:199999:224357,COc1nc2ccc(C(F)(F)F)cc2cc1-c1ccc2c(=NC(=O)OC(C)(C)C)n(C(=O)OC(C)(C)C)ccc2c1,MKYFCCCAJQKZRV-UHFFFAOYSA-N
-rxn:4:199999:227718,CC(C)(C)OC(=O)N=c1c2ccc(-c3ccc(OC(F)F)cc3F)cc2ccn1C(=O)OC(C)(C)C,VFUWLFSTWLGWAP-UHFFFAOYSA-N
-rxn:4:199999:227720,CC(C)(C)OC(=O)N=c1c2ccc(-c3ccc(OC(F)F)cc3Cl)cc2ccn1C(=O)OC(C)(C)C,VJXHFKSWDHLIBX-UHFFFAOYSA-N
-rxn:4:200023:223279,O=C(COc1cccc2c1CCN(Cc1ccc(-c3cnc(C4CCCN4)nc3)cc1)C2=O)N1CCOCC1,QEMAMSYABPULFF-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:4:200031:226844,CC(=O)N1CCc2cc(-c3ccnc(C(=O)C(F)(F)F)c3)cc(S(=O)(=O)CCC(=O)N3CCc4ccccc4C3)c21,UUEPYSYCWLATDN-UHFFFAOYSA-N
-rxn:4:200039:223279,COc1ccc(-c2cnc(C3CCCN3)nc2)cc1CCC(=O)N1CCC(N2CCc3ccccc3C2)C1,IEJDKCKDWZNAQK-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
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-rxn:4:200043:223279,CN(C(=O)OC(C)(C)C)C1CCN(Cc2ccc(-c3cnc(C4CCCN4)nc3)c3ccccc23)CC1,CYZAOQGGIWFAOT-UHFFFAOYSA-N
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-rxn:4:200048:223279,CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(-c4cnc(C5CCCN5)nc4)cc3)[n+](C)c3ccccc32)C1,SPDOCLDRHQXYBU-UHFFFAOYSA-N
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-rxn:4:200056:223279,O=C(OCCN1C(=O)c2cccc3c(N4CCOCC4)ccc(c23)C1=O)c1cccc(-c2cnc(C3CCCN3)nc2)c1,BXGHUAIDEQFLOC-UHFFFAOYSA-N
-rxn:4:200056:226844,O=C(OCCN1C(=O)c2cccc3c(N4CCOCC4)ccc(c23)C1=O)c1cccc(-c2ccnc(C(=O)C(F)(F)F)c2)c1,QEDDKRNQWCYJQH-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
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-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
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-rxn:4:200065:223279,O=C(OCCN1C(=O)c2cccc3c(N4CCCCC4)ccc(c23)C1=O)c1ccc(-c2cnc(C3CCCN3)nc2)cc1,VAFKGMAUMUTTNO-UHFFFAOYSA-N
-rxn:4:200158:223916,COC(=O)C(C(=O)OC)c1ncc(-c2ccc(C(=O)N3CCN(C(C)C)CC3)cc2)cn1,SMJZBYAJZVEDHM-UHFFFAOYSA-N
-rxn:4:200217:223772,COc1ccc2cc(-c3cnc(C(C#N)C(=O)OC(C)(C)C)c(F)c3)n(C(=O)OC(C)(C)C)c2c1,ZEQBKLGHSUCTMQ-UHFFFAOYSA-N
-rxn:4:200217:224566,COC(=O)C1(c2ccc(-c3cnc(C(C#N)C(=O)OC(C)(C)C)c(F)c3)cc2)CCCC1,RQHNEKMOQGTENN-UHFFFAOYSA-N
-rxn:4:200277:223832,COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1-c1cc([N+](=O)[O-])ccc1OCCN1CCCC1,KPUFTXCHGKKCHT-UHFFFAOYSA-N
-rxn:4:200280:224374,CCC(=O)N1CCN=C1SCc1ccc(-c2cc(S(=O)(=O)N3CCCC3)ccc2OC)cc1,RGIYPGSGHUJGFF-UHFFFAOYSA-N
-rxn:4:200283:224285,O=[N+]([O-])c1ccc(OCCN2CCC(F)(F)C2)c(-c2ccc(OCCN3CCOCC3)cc2F)c1,XZRHFVNAGLPUFM-UHFFFAOYSA-N
-rxn:4:200338:223531,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc(OC4CN(C(=O)OC(C)(C)C)C4)nc3)cc2Cl)CC1,BYGJGLSJCJMSJB-UHFFFAOYSA-N
-rxn:4:200339:223179,CONC(=O)c1cc(-c2cc([N+](=O)[O-])ccc2OCCN2CCCC(F)(F)C2)ccc1F,HFCLWPPDKHMMOX-UHFFFAOYSA-N
-rxn:4:200385:223179,CONC(=O)c1cc(-c2cc(F)ccc2CC(=O)N2CCN(CC(F)(F)F)CC2)ccc1F,YEMQSAWECVNBHV-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:4:200424:222546,COC(=O)CCN1CCN(c2ccc(-c3ccc(OCCNC4CCCCC4)c(F)c3)cc2)CC1,VLNAKQWQMRVCRR-UHFFFAOYSA-N
-rxn:4:200433:223179,CCOC(=O)N1CCN(S(=O)(=O)c2ccc(-c3ccc(F)c(C(=O)NOC)c3)cc2)CC1,IRTAGHUYYLMZAZ-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:4:200439:223179,CONC(=O)c1cc(-c2cc(CCN3CCN(CC(F)(F)F)CC3)ccc2F)ccc1F,UWWLLOITSWVWMF-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:4:200440:226844,CCN1CCN(C(=O)c2cc(OC(F)(F)F)cc(-c3ccnc(C(=O)C(F)(F)F)c3)c2)CC1,XHIUUNGMALZJJQ-UHFFFAOYSA-N
-rxn:4:200443:223279,COc1c(Cl)cc(C(=O)N2CCN(CC(F)(F)F)CC2)cc1-c1cnc(C2CCCN2)nc1,KLAWIPDBZQRSQK-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:4:200483:223179,CCN1CCN(Cc2ccc(-c3ccc(F)c(C(=O)NOC)c3)cc2OC(F)(F)F)CC1,UMOBPUOKPDLULT-UHFFFAOYSA-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:4:200493:226844,O=C(Cc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1)N1CC(CN2C(=O)CCC2=O)C1,QZNDEPFCZUNLAV-UHFFFAOYSA-N
-rxn:4:200515:223179,CONC(=O)c1cc(-c2ccc(CSC3=NCCN3C(=O)C3CCCC3)cc2)ccc1F,BXHIGXCUIIVSIL-UHFFFAOYSA-N
-rxn:4:200515:226844,O=C(C1CCCC1)N1CCN=C1SCc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1,ZUQVUOLTORCCQJ-UHFFFAOYSA-N
-rxn:4:200518:226844,CCN1CCN(C(=O)c2cc(C(=O)OC)cc(-c3ccnc(C(=O)C(F)(F)F)c3)c2)CC1,XZFITUQTCTYHAL-UHFFFAOYSA-N
-rxn:4:200520:223179,CONC(=O)c1cc(-c2ccc(CCC(=O)N3CCC(N4C(=O)CSC4=O)C3)cc2)ccc1F,OFQKMRJDTOVRDO-UHFFFAOYSA-N
-rxn:4:200520:226844,O=C(CCc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1)N1CCC(N2C(=O)CSC2=O)C1,RIYUYUIVJJIFSO-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:4:200560:226844,CC(C)(C)OC(=O)N1CCN(Cc2occc2-c2ccnc(C(=O)C(F)(F)F)c2)CC1,RNKHIBIDNFCQQL-UHFFFAOYSA-N
-rxn:4:200564:223179,CONC(=O)c1cc(-c2cccc(C(=O)N3CCC(CSC4=NCCS4)CC3)c2)ccc1F,JMTDZADREJWEQO-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:4:200573:223179,CONC(=O)c1cc(-c2ccc(Cl)c(C(=O)N3CCC(CSC4=NCCS4)CC3)c2)ccc1F,XJQRUILAAPQNTA-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:4:200595:226844,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)nc2)CC1,UEPANAAMCDMUMK-UHFFFAOYSA-N
-rxn:4:200596:223818,CC(C)(C)OC(=O)N1CCC(Oc2cccc(-c3c(F)cc(F)c4c3ccn4C(=O)OC(C)(C)C)n2)CC1,WZWBQYNNUGLDSN-UHFFFAOYSA-N
-rxn:4:200596:225526,CCN(CC)C(=O)c1cccc(-c2cccc(OC3CCN(C(=O)OC(C)(C)C)CC3)n2)c1,JPHLRVYCCOUWIN-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:4:200604:226844,CC(C)(C)OC(=O)N1CCC[C@@H](Oc2cncc(-c3ccnc(C(=O)C(F)(F)F)c3)c2)C1,UOMKDNLPWLTHSL-MRXNPFEDSA-N
-rxn:4:200609:226844,CC(C)N1CCN(Cc2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2OC(F)(F)F)CC1,WEBUPWIXUHSLLI-UHFFFAOYSA-N
-rxn:4:200620:222718,Cc1cc(OCC2CCN(C(=O)c3ccc(-c4cc(S(=O)(=O)N5CCNCC5)ccc4C)o3)CC2)ccn1,VSLAHLKIEXOGNZ-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:4:200639:222426,CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)Nc1ccc(-c3cccnc3OC3CCN(C(=O)c4cccc(C(F)(F)F)c4)CC3)cc12,DAXIYWNPBKBYEV-UHFFFAOYSA-N
-rxn:4:200643:223651,Cc1nc(C2CCN(C(=O)OC(C)(C)C)C2)ccc1-c1ccc(C(=O)C2CCN(C(=O)OC(C)(C)C)CC2)cn1,WKSFJJJFUZSVSH-UHFFFAOYSA-N
-rxn:4:200643:225940,CC(C)(C)OC(=O)N1CCC(C(=O)c2ccc(-c3cc(C(F)(F)F)cnc3C3CC3)nc2)CC1,QUCHHBMKOCPSFK-UHFFFAOYSA-N
-rxn:4:200643:226844,CC(C)(C)OC(=O)N1CCC(C(=O)c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)nc2)CC1,AQFJJXVBJPSKND-UHFFFAOYSA-N
-rxn:4:200645:223279,O=C(C1CCCCC1)N1CCN=C1SCc1ccc(-c2cnc(C3CCCN3)nc2)cc1,XKKJVFRSZITPQO-UHFFFAOYSA-N
-rxn:4:200645:226844,O=C(C1CCCCC1)N1CCN=C1SCc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1,SCEQZOGPFYDWHA-UHFFFAOYSA-N
-rxn:4:200646:225938,CC(C)CS(=O)(=O)C1CCN(C(=O)c2cncc(-c3cc(C(F)(F)F)ncc3C3CC3)c2)CC1,BDKHVYNUFXPACB-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:4:200650:225901,Cc1nn(C(=O)OC(C)(C)C)cc1-c1ccccc1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1,PLFCDSGMYMFQOD-UHFFFAOYSA-N
-rxn:4:200651:223279,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3cnc(C4CCCN4)nc3)cc2)CC1,GHJORKNGGFHMLS-UHFFFAOYSA-N
-rxn:4:200652:226844,CC(C)(C)OC(=O)N1CCC(C#N)(c2cccc(-c3ccnc(C(=O)C(F)(F)F)c3)c2)CC1,HLOJBKPAGLNCAH-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:4:200658:223179,CONC(=O)c1cc(-c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c(Cl)c2)ccc1F,BUOHDESCVWKWJP-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:4:200659:226844,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)c(F)c2)CC1,VLQIMMNJCLZKJZ-UHFFFAOYSA-N
-rxn:4:200671:226844,O=C(CCc1ccccc1-c1ccnc(C(=O)C(F)(F)F)c1)N1CCC(N2C(=O)COC2=O)CC1,CZHPXWCNUASAAM-UHFFFAOYSA-N
-rxn:4:200695:223179,CONC(=O)c1cc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)cc2)ccc1F,ZVMCGHVOKJLJCK-UHFFFAOYSA-N
-rxn:4:200698:224249,COC(=O)c1cc(-c2cc(C(=O)N3CCCC(C)C3)ccc2F)ccc1CN1CCN(C(C)C)CC1,AAIZJABJBREUEZ-UHFFFAOYSA-N
-rxn:4:200698:224617,COC(=O)c1cc(-c2ccc(OCCN3CCCC3)c(Cl)c2)ccc1CN1CCN(C(C)C)CC1,VEQNGYVWYXWTHD-UHFFFAOYSA-N
-rxn:4:200699:223835,COC(=O)c1ccc(-c2cc(S(=O)(=O)N3CCC(C)CC3)c(C)cc2F)c(CN2CCN(C(C)C)CC2)c1,UFAPIFBKJRLGQI-UHFFFAOYSA-N
-rxn:4:200699:224587,COC(=O)c1ccc(-c2ccc(CN3CCC(C)CC3)c(F)c2)c(CN2CCN(C(C)C)CC2)c1,XWGGHKSMEAQJAW-UHFFFAOYSA-N
-rxn:4:200699:224829,COC(=O)c1ccc(-c2ccc(C(=O)OC)c(OC(F)(F)F)c2)c(CN2CCN(C(C)C)CC2)c1,QAIVCTAMHPOXQH-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:4:200700:223279,CC(C)(C)OC(=O)N1CCN(Cc2cc(Cl)cc(-c3cnc(C4CCCN4)nc3)c2)CC1,FFHMFUMZVRJJCR-UHFFFAOYSA-N
-rxn:4:200702:223279,CC(C)(C)OC(=O)N1CCN(Cc2ccc(Cl)c(-c3cnc(C4CCCN4)nc3)c2)CC1,DNVSCWDVKDKOTA-UHFFFAOYSA-N
-rxn:4:200704:223179,CONC(=O)c1cc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)c(Cl)c2)ccc1F,XRKPXCZLEVZCCA-UHFFFAOYSA-N
-rxn:4:200705:222426,CC(C)(C)OC(=O)N1CCN(Cc2cccc(-c3ccc4c(c3)C3(CCN(C(=O)OC(C)(C)C)CC3)C(=O)N4)c2Cl)CC1,MFLGXQKRXXCMPU-UHFFFAOYSA-N
-rxn:4:200708:222787,CC(C)(C)OC(=O)Nc1ccc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)cc2F)c(Cl)c1,HUDACZRQBBSBPX-UHFFFAOYSA-N
-rxn:4:200708:223279,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cnc(C4CCCN4)nc3)c(F)c2)CC1,OBBUGBJJTHUSNS-UHFFFAOYSA-N
-rxn:4:200708:224277,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccnc4c3ccn4C(=O)OC(C)(C)C)c(F)c2)CC1,KHQKSZSKJBDDHH-UHFFFAOYSA-N
-rxn:4:200709:223253,CCCCNc1ncc(-c2ccc(F)c(CN3CCN(C(=O)OC(C)(C)C)CC3)c2)cn1,AVOUCIQGVUFKOF-UHFFFAOYSA-N
-rxn:4:200710:224552,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)cc(-c3cc(F)cc(COC4CCCCC4)c3)c2)CC1,FWUMTKQQBIJBPX-UHFFFAOYSA-N
-rxn:4:200710:224834,CN(C)S(=O)(=O)n1cc(-c2cc(F)cc(CN3CCN(C(=O)OC(C)(C)C)CC3)c2)c(C(F)(F)F)n1,NGAACCXQQNMCOR-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:4:200716:223179,CCOC(=O)N1CCN(S(=O)(=O)c2cc(C)c(C)cc2-c2ccc(F)c(C(=O)NOC)c2)CC1,ZTNZVAWTBVEZJS-UHFFFAOYSA-N
-rxn:4:200717:223179,CCOC(=O)N1CCN(S(=O)(=O)c2cc(C)c(-c3ccc(F)c(C(=O)NOC)c3)cc2C)CC1,FKNSZOZERVBCGY-UHFFFAOYSA-N
-rxn:4:200717:226844,CCOC(=O)N1CCN(S(=O)(=O)c2cc(C)c(-c3ccnc(C(=O)C(F)(F)F)c3)cc2C)CC1,FUDAXOQUQALHNZ-UHFFFAOYSA-N
-rxn:4:200720:223179,CONC(=O)c1cc(-c2ccc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cc2)ccc1F,TZSHIXBSMKHPFY-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:4:200722:223179,CONC(=O)c1cc(-c2ccc(S(=O)(=O)C3CCN(C(=O)OC(C)(C)C)CC3)nc2)ccc1F,JBHLUPXOHBYXRH-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:4:200724:223179,CONC(=O)c1cc(-c2ccc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c(Cl)c2)ccc1F,YMJYBYJXPYNAAK-UHFFFAOYSA-N
-rxn:4:200724:223279,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(-c3cnc(C4CCCN4)nc3)cc2Cl)CC1,JBRPEDPIELUDAE-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:4:200727:226844,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2F)CC1,LXPKPFCWTQETOM-UHFFFAOYSA-N
-rxn:4:200728:223279,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cc(-c3cnc(C4CCCN4)nc3)ccc2F)CC1,KUAPEUNTFXFHFZ-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:4:200731:223279,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:4:200740:223179,CONC(=O)c1cc(-c2cc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c(F)cc2F)ccc1F,QXTDPOCMXJEWOU-UHFFFAOYSA-N
-rxn:4:200749:226844,O=C(c1cc(-c2ccc(S(=O)(=O)ON=C3CCN(S(=O)(=O)c4ccccc4)CC3)cc2)ccn1)C(F)(F)F,ADALPRVOALCCMN-UHFFFAOYSA-N
-rxn:4:200755:226844,COc1cc(-c2ccnc(C(=O)C(F)(F)F)c2)cc(C2CCCN(C(=O)OC(C)(C)C)C2)n1,HWZNTSWQZFMQNK-UHFFFAOYSA-N
-rxn:4:200761:223279,COc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1-c1cnc(C2CCCN2)nc1,ZUEDWJVEMWBBJN-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:4:200787:223279,C[C@H]1CN(C(=O)c2ccc(-c3cnc(C4CCCN4)nc3)c(Cl)c2)CCN1C(=O)OC(C)(C)C,NBWIVMCUXDCXKV-BJQOMGFOSA-N
-rxn:4:200790:223179,CONC(=O)c1cc(-c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)[C@H](C)C3)cc2F)ccc1F,PEPADSXFVAHCHC-OAHLLOKOSA-N
-rxn:4:200799:226844,O=C(CCc1ccccc1-c1ccnc(C(=O)C(F)(F)F)c1)N1CCC(N2C(=O)COCC2=O)CC1,RULLRHZDUJBPPR-UHFFFAOYSA-N
-rxn:4:200800:224010,COc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1ccccc1S(=O)(=O)N1CCC(COc2ccnc(C)c2)CC1,TVWRMQQAVXHILC-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:4:200807:226844,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:4:200812:223179,CONC(=O)c1cc(-c2ccccc2CCC(=O)N2CCCN(C3CCC3)CC2)ccc1F,YZCFCBWJMZJKLO-UHFFFAOYSA-N
-rxn:4:200813:223279,CC(c1ccc(-c2cnc(C3CCCN3)nc2)cc1)N1CCN(C(=O)OC(C)(C)C)CC1,DGYPRJUWDNFZMY-UHFFFAOYSA-N
-rxn:4:200816:223279,C[C@@H]1CN(Cc2ccc(-c3cnc(C4CCCN4)nc3)cc2)CCN1C(=O)OC(C)(C)C,QZQVBPLIJFIEAD-ZZWBGTBQSA-N
-rxn:4:200817:223538,CC(c1ccccc1-c1ccnc2c1cc(C(F)F)n2S(=O)(=O)c1ccccc1)N1CCN(C(=O)OC(C)(C)C)CC1,ULBLHQBCEOHELH-UHFFFAOYSA-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:4:200821:226844,CC(C)(C)OC(=O)N1CCCN(S(=O)(=O)c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2)CC1,RNKGHYIXALBIJN-UHFFFAOYSA-N
-rxn:4:200822:224152,CC(C)(C)OC(=O)N1CCCN(S(=O)(=O)c2cccc(-c3cc(-c4cncnc4)cc(C(C)(C)C)c3)c2)CC1,UDTCQGQPBKTWIG-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:4:200823:223179,CONC(=O)c1cc(-c2ccc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c(C)c2)ccc1F,QXGCIUIQVQWRFV-UHFFFAOYSA-N
-rxn:4:200825:224280,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1cc2c(s1)CCN(C(=O)OC(C)(C)C)C2,ZBYOUEDBSNEGBL-UHFFFAOYSA-N
-rxn:4:200845:222426,CC(C)(C)OC(=O)N1CCN(c2cc(-c3ccc4c(c3)C3(CCN(C(=O)OC(C)(C)C)CC3)C(=O)N4)cc(C3CC3)c2)CC1,RHZAJAQVBORYBL-UHFFFAOYSA-N
-rxn:4:200845:224161,CC(C)(C)OC(=O)N1CCN(c2cc(-c3ccc4c(c3)CN(C(=O)OC(C)(C)C)C4)cc(C3CC3)c2)CC1,UPKAWEBICWQCLP-UHFFFAOYSA-N
-rxn:4:200846:222929,CC(C)(C)OC(=O)N1CCN(c2cc(C3CC3)ccc2-c2cnc(Cl)c(N3CCC(O)CC3)c2)CC1,MSSZQOHWGSVPOS-UHFFFAOYSA-N
-rxn:4:200846:223279,CC(C)(C)OC(=O)N1CCN(c2cc(C3CC3)ccc2-c2cnc(C3CCCN3)nc2)CC1,BTAGTLYZCCWJAF-UHFFFAOYSA-N
-rxn:4:200862:224819,CCOc1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1S(=O)(=O)N1CCN(c2ccc(C)c(Cl)c2)CC1,GUFIAZNNRPLMKG-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:4:200866:223279,CC1CN(C(=O)OC(C)(C)C)CCN1C(C)c1cccc(-c2cnc(C3CCCN3)nc2)c1,HQXPUECMORXNBR-UHFFFAOYSA-N
-rxn:4:200867:223279,CC1CN(C(=O)OC(C)(C)C)CCN1C(C)c1ccccc1-c1cnc(C2CCCN2)nc1,AUHIDEUYFVZYSO-UHFFFAOYSA-N
-rxn:4:200868:223179,CONC(=O)c1cc(-c2ccccc2C(C)N2CCN(C(=O)OC(C)(C)C)C(C)C2)ccc1F,AUECEQQHHCVZJN-UHFFFAOYSA-N
-rxn:4:200868:225568,COC(=O)C(C)(C)c1ccc(-c2ccccc2C(C)N2CCN(C(=O)OC(C)(C)C)C(C)C2)cc1,AMMXGGQGIMSPLY-UHFFFAOYSA-N
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-rxn:4:201103:223279,O=C(CCc1ccccc1-c1cnc(C2CCCN2)nc1)N1CC(N2C(=O)C3CC=CCC3C2=O)C1,FVIHRNHTAIUMDO-UHFFFAOYSA-N
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-rxn:4:201572:223839,CCOC(=O)c1nc(-c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2OC)sc1N1CCOCC1,SNNNTILWJBZEPK-UHFFFAOYSA-N
-rxn:4:201644:222426,CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)Nc1ccc(-c3cc(C4CN(C(=O)OC(C)(C)C)C4)on3)cc12,BBWABTCQBRGMKK-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:4:201704:226844,O=C(c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)o1)N1CC(CN2C(=O)CCC2=O)C1,YQCUJGWHTXCKDM-UHFFFAOYSA-N
-rxn:4:201760:226844,O=C(Cc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1)N1CC(N2C(=O)CSC2=O)C1,FANCCPDPEMYZFX-UHFFFAOYSA-N
-rxn:4:201765:226844,O=C(c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1)N1CC(CN2C(=O)COC2=O)C1,NDBXPARXMKCNBY-UHFFFAOYSA-N
-rxn:4:201776:223823,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cnc(C4CCN(C(=O)OC(C)(C)C)C4)s3)cn2)CC1,HJTUXAKCEQAOIP-UHFFFAOYSA-N
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-rxn:4:201817:223842,COC(=O)c1nc(N2CCC(C(F)(F)F)CC2)ccc1-c1cc(F)c(F)cc1S(=O)(=O)N1CCC(C)CC1,FQHFRHCNXRTDBN-UHFFFAOYSA-N
-rxn:4:201842:223892,COC(=O)c1nc(N2CCC(OC)CC2)ccc1-c1ccc(OCCCN2CCN(C)CC2)cc1,LAELQMPWALPDCG-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:4:201862:223279,COc1cc(N2CCC(C(F)(F)F)CC2)c(-c2cnc(C3CCCN3)nc2)cc1[N+](=O)[O-],ZHCXMPPTUXTABE-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:4:201907:226844,O=C(Cc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1)N1CCC(N2C(=O)COC2=O)C1,QCOIDKLBDVJLSJ-UHFFFAOYSA-N
-rxn:4:201908:222701,O=C1CCC(=O)N1CC1CN(S(=O)(=O)c2ccc(-c3cc(C4CCCNC4)cc(C(F)(F)F)c3)cc2)C1,BLDJJNVVXQLRFV-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:4:201908:223936,CC(C)(C)OC(=O)n1c(-c2ccc(S(=O)(=O)N3CC(CN4C(=O)CCC4=O)C3)cc2)cc2c(F)cccc21,SSBPCTNIGDGDRS-UHFFFAOYSA-N
-rxn:4:201925:225312,CN1CCCN(c2ncc(-c3cccc(C4CCCN4C(=O)OC(C)(C)C)n3)cn2)CC1,GEPLOFUXMYCVAP-UHFFFAOYSA-N
-rxn:4:201946:223669,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc(C4CCCN4C(=O)OC(C)(C)C)nc3)cn2)CC1,LBMFSGWVHWEMCG-UHFFFAOYSA-N
-rxn:4:201949:222684,COC(=O)c1ccc(-c2ccc(OCCN3CCNCC3)c(Cl)c2)cc1CN1CCN(C)CC1,KYDBHDRGKOYPKX-UHFFFAOYSA-N
-rxn:4:201950:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2ccc(C3CCN(C(=O)OC(C)(C)C)C3)nc2)cc1,BQUQDQJVURSZLG-UHFFFAOYSA-N
-rxn:4:201950:223885,CC(C)(C)OC(=O)N1CCc2ccc(-c3ccc(C4CCN(C(=O)OC(C)(C)C)C4)nc3)cc2C1,WNZRYRQHUPDYQC-UHFFFAOYSA-N
-rxn:4:201954:224617,COC(=O)c1ccc(-c2ccc(OCCN3CCCC3)c(Cl)c2)c(CN2CCN(C)CC2)c1,NZXMBCUOIXKQMV-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:4:201975:222630,O=C(c1ccco1)N1CCN(S(=O)(=O)c2ccc(-c3cc(C4CCC4)nc(C4CCNCC4)c3)cc2)CC1,HJVZROHOKFZFRF-UHFFFAOYSA-N
-rxn:4:202005:223999,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3cc(S(=O)(=O)N4CCC(C)CC4)ccc3F)c2)CC1,NSCXSCLRJLEAKQ-UHFFFAOYSA-N
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-rxn:4:202018:225296,CC(C)(C)OC(=O)c1nc(N2CCOCC2)ccc1-c1ccc(S(=O)(=O)N2CCCC2)cc1,WOERBRYUIRWYBG-UHFFFAOYSA-N
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-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:4:202077:223699,O=S(=O)(c1ccc(-c2cccnc2OC2CCN(S(=O)(=O)c3ccccc3)CC2)c(C(F)(F)F)c1)N1CCOCC1,GHNMFTYHERPMCR-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
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-rxn:4:202104:223529,CC(C)(C)OC(=O)N1CCC(c2cc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)c(F)c3)ccn2)CC1,QRXCBGLXTMIVKK-UHFFFAOYSA-N
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-rxn:4:202129:223588,Cc1cc(-c2ccc(C3CCN(C(=O)OC(C)(C)C)CC3)nc2F)cnc1N1CCN(C(=O)OC(C)(C)C)CC1,VQCWRQAQWXBBPO-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
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-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:4:202140:226844,CC(C)(C)OC(=O)N1CCN(c2cc(F)cc(-c3ccnc(C(=O)C(F)(F)F)c3)c2)CC1,DLBUTIKWXVXEOE-UHFFFAOYSA-N
-rxn:4:202141:226844,CC(C)N1CCN(Cc2cc(C(F)(F)F)ccc2-c2ccnc(C(=O)C(F)(F)F)c2)CC1,ZHXHBCRHKXNAFQ-UHFFFAOYSA-N
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-rxn:4:202167:226844,O=C(c1cc(-c2ccc(CN3CCCN(S(=O)(=O)C4CC4)CC3)cc2)ccn1)C(F)(F)F,DBLAFUCWPVWBMM-UHFFFAOYSA-N
-rxn:4:202175:223179,CONC(=O)c1cc(-c2ccc(S(=O)(=O)N3CCCC3C(=O)N3CCOCC3)cc2)ccc1F,JUMCUQXEDFTNSD-UHFFFAOYSA-N
-rxn:4:202197:223279,O=C(C1CN(Cc2ccc(-c3cnc(C4CCCN4)nc3)cc2)CCO1)N1CCSCC1,IQQRMJFXXJNGFE-UHFFFAOYSA-N
-rxn:4:202198:223279,O=C(C1CN(Cc2cccc(-c3cnc(C4CCCN4)nc3)c2)CCO1)N1CCSCC1,MUHPEGGILWPLQL-UHFFFAOYSA-N
-rxn:4:202199:223179,CONC(=O)c1cc(-c2ccccc2CN2CCOC(C(=O)N3CCSCC3)C2)ccc1F,DNZRHQQTKDTNLB-UHFFFAOYSA-N
-rxn:4:202201:223279,O=C(C1CN(Cc2cccc(-c3cnc(C4CCCN4)nc3)c2)CCO1)N1CCOCC1,DGBYBPGBKGFYHY-UHFFFAOYSA-N
-rxn:4:202202:226844,O=C(C1CN(Cc2ccccc2-c2ccnc(C(=O)C(F)(F)F)c2)CCO1)N1CCOCC1,AWOXTQMOPUWMQA-UHFFFAOYSA-N
-rxn:4:202204:226844,O=C(C1CC(=O)N(c2cccc(-c3ccnc(C(=O)C(F)(F)F)c3)c2)C1)N1CCC(CF)CC1,BEFKZQLDEGATMH-UHFFFAOYSA-N
-rxn:4:202212:223993,Cc1ccc(S(=O)(=O)N2CCC(Oc3ncccc3-c3ccc(S(=O)(=O)N4CCN(C)CC4)c(C)c3)C2)cc1C,BCOGFCCZCWZEGF-UHFFFAOYSA-N
-rxn:4:202215:224009,COc1ccc(-c2ccc(OC)c(S(=O)(=O)N3CCN(c4ccc(F)cc4)CC3)c2)cc1S(=O)(=O)N1CCOCC1,GFKJSSGELZRASS-UHFFFAOYSA-N
-rxn:4:202227:223888,Cc1cc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CCC3)cc(C2CCCN(C(=O)OC(C)(C)C)C2)n1,LWFQSMCZWPJNKC-UHFFFAOYSA-N
-rxn:4:202229:223773,COc1cccc2cc(-c3cc(N4CCN(C(=O)OC(C)(C)C)CC4)ccc3C)n(C(=O)OC(C)(C)C)c12,WXJGDNXBUDLWLU-UHFFFAOYSA-N
-rxn:4:202229:225876,Cc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1cc(Cl)ccc1N1CCOCC1,CLBIQJUMGAWTDE-UHFFFAOYSA-N
-rxn:4:202230:223502,Cc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)c(-c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c(F)c2)c1,SRTYFPPJSIONPC-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:4:202261:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(-c2nc(S(=O)(=O)N3CCOCC3)c(-c3ccc(Cl)cc3)o2)cc1,GYGWPQUQUCUTBG-UHFFFAOYSA-N
-rxn:4:202261:223699,O=S(=O)(c1ccc(-c2ccc(-c3nc(S(=O)(=O)N4CCOCC4)c(-c4ccc(Cl)cc4)o3)cc2)c(C(F)(F)F)c1)N1CCOCC1,XHIUHPKDRJCLIJ-UHFFFAOYSA-N
-rxn:4:202264:226844,O=C(c1cccc(-c2ccnc(C(=O)C(F)(F)F)c2)c1)N1CCCSCC1CN1CCCC1,FHZDEEJRQQBIBP-UHFFFAOYSA-N
-rxn:4:202268:223279,O=C(C1CN(Cc2ccccc2-c2cnc(C3CCCN3)nc2)CCO1)N1CCCCC1,MXRRUNYABVIIOB-UHFFFAOYSA-N
-rxn:4:202303:222701,COc1cc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c(C)cc1-c1cc(C2CCCNC2)cc(C(F)(F)F)c1,NWOOBXGPSVGGEH-UHFFFAOYSA-N
-rxn:4:202303:223696,COc1cc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c(C)cc1-c1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1,BQDMNEAPJYVJKB-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:4:202315:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3ccccc3S(=O)(=O)N3CCC(Oc4cc(C)n(C)c(=O)c4)CC3)c2)CC1,FLIRPFYOHNTWAV-UHFFFAOYSA-N
-rxn:4:202328:223179,CONC(=O)c1cc(-c2ccccc2S(=O)(=O)N2CCC(N3CCC(OC)CC3)CC2)ccc1F,CNDUBWBNBZJPQP-UHFFFAOYSA-N
-rxn:4:202328:223310,COC1CCN(C2CCN(S(=O)(=O)c3ccccc3-c3ccc(NC4CC4)cc3)CC2)CC1,SWJPXPXZHGZXOM-UHFFFAOYSA-N
-rxn:4:202328:223311,COC1CCN(C2CCN(S(=O)(=O)c3ccccc3-c3cccc(C4CNC4)c3)CC2)CC1,UWRQRROWFBRYFL-UHFFFAOYSA-N
-rxn:4:202328:225461,COC1CCN(C2CCN(S(=O)(=O)c3ccccc3-c3ccc(N4CCCCC4)cc3C)CC2)CC1,GEJUDNBRXYIJSU-UHFFFAOYSA-N
-rxn:4:202328:228519,COC1CCN(C2CCN(S(=O)(=O)c3ccccc3-c3c(C)cc(C)cc3C)CC2)CC1,PBURRZWPMNYTSF-UHFFFAOYSA-N
-rxn:4:202337:223279,Cc1ccc(S(=O)(=O)N2CCOC23CCN(C(=O)c2ccc(-c4cnc(C5CCCN5)nc4)o2)CC3)cc1,BNCKZKFFIRPWQB-UHFFFAOYSA-N
-rxn:4:202338:223279,O=C(c1ccc(-c2cnc(C3CCCN3)nc2)cc1)N1CCC2(CC1)OCCN2S(=O)(=O)c1ccccc1,DEVFHOYRFHPCIH-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:4:202341:223179,CONC(=O)c1cc(-c2cc(CN3CCN(C(C)C)CC3)cc(C(C)(C)C)c2)ccc1F,BRXDNMFGYCAKKB-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:4:202342:226844,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:4:202344:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3ccc(S(=O)(=O)N4CCN(c5c(C)cc(C)cc5C)CC4)cc3OC)c2)CC1,LCGXKUYYKVQPBC-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:4:202351:226844,Cc1cc(S(=O)(=O)N2CCOC23CCN(C(=O)c2ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc2)CC3)ccc1F,ORQMQYLZXFLSML-UHFFFAOYSA-N
-rxn:4:202356:223279,Cc1cc(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)c(C(C)C)cc1-c1cnc(C2CCCN2)nc1,AMJNUHNPNFBFGH-UHFFFAOYSA-N
-rxn:4:202401:223602,CCOC(=O)Cc1ncc2ccc(-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3Cl)cc2n1,OFMJQRUXAOFJCZ-UHFFFAOYSA-N
-rxn:4:202461:223898,CC(C)N(C(=O)OC(C)(C)C)c1ccc(-c2ccc3c(c2)c(C(F)(F)F)nn3C(=O)OC(C)(C)C)cc1,MVAJLMYKQCZIRC-UHFFFAOYSA-N
-rxn:4:202518:223082,CNS(=O)(=O)c1c(C)cc(-c2nc3c(s2)CN(C(=O)OC(C)(C)C)[C@H]3C(C)C)cc1C,MHBMGEVKFKMTJM-SFHVURJKSA-N
-rxn:4:202518:223881,Cc1ccc2cc(-c3nc4c(s3)CN(C(=O)OC(C)(C)C)[C@H]4C(C)C)n(C(=O)OC(C)(C)C)c2c1,PFZXBFAVDGNYIP-QFIPXVFZSA-N
-rxn:4:202518:225758,CC(C)[C@H]1c2nc(-c3ccncc3C(=O)OC(C)(C)C)sc2CN1C(=O)OC(C)(C)C,RJNNGYWDDBMCET-SFHVURJKSA-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:4:202519:226844,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:4:202520:226844,CC(C)(C)OC(=O)N1CCc2c([N+](=O)[O-])ccc(-c3ccnc(C(=O)C(F)(F)F)c3)c2C1,AOTFPMCBXCRRQL-UHFFFAOYSA-N
-rxn:4:202521:226844,CC(C)(C)OC(=O)N1CCc2c(-c3ccnc(C(=O)C(F)(F)F)c3)ccc([N+](=O)[O-])c2C1,OLCRFILFNZJMAB-UHFFFAOYSA-N
-rxn:4:202564:224609,CC(C)N(C(=O)c1ccncc1-c1ccc2c(c1)C(=O)N(C1CN(C(=O)OC(C)(C)C)C1)C2=O)C(C)C,USWHUGPBYFRBBB-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:4:202656:223593,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cc4c(N5CCN(C(=O)OC(C)(C)C)CC5)cccc4s3)cc2Cl)CC1,LHHNKOKZZYNTHD-UHFFFAOYSA-N
-rxn:4:202656:223938,CC(C)(C)OC(=O)N1CCN(c2cccc3sc(-c4cc5cc(Cl)ccc5n4C(=O)OC(C)(C)C)cc23)CC1,SFSILKQDBUCWMH-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:4:202682:226844,CC(C)(C)OC(=O)N1CC2CCC1CN2c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1,BLPINSFLRWSHTC-UHFFFAOYSA-N
-rxn:4:202685:223179,CONC(=O)c1cc(-c2ccc3c(ccn3CCC(=O)N3CCC4(CC3)OCCO4)c2)ccc1F,UCIZJZOHHWPYSF-UHFFFAOYSA-N
-rxn:4:202694:226844,CCN1C(=O)C(=C2SC(=S)N(CCc3ccccc3)C2=O)c2cc(-c3ccnc(C(=O)C(F)(F)F)c3)ccc21,AWCNOJLMPZHDOI-UHFFFAOYSA-N
-rxn:4:202695:223279,CCCN1C(=O)C(=C2SC(=S)N(Cc3ccccc3)C2=O)c2cc(-c3cnc(C4CCCN4)nc3)ccc21,DEBPIOIFBNUPML-UHFFFAOYSA-N
-rxn:4:202698:223279,CCCN1C(=O)C(=C2SC(=S)N(Cc3ccccc3Cl)C2=O)c2cc(-c3cnc(C4CCCN4)nc3)ccc21,WBRMLCQKISPKTJ-UHFFFAOYSA-N
-rxn:4:202708:223279,CCN1C(=O)C(=C2SC(=S)N(Cc3ccc(OC)cc3)C2=O)c2cc(-c3cnc(C4CCCN4)nc3)ccc21,MBLXOSHHVHGPHJ-UHFFFAOYSA-N
-rxn:4:202720:224752,Cc1ccc2ncc(C(=O)N3CCCC3)c(S(=O)(=O)c3ccc(-c4ccc(S(=O)(=O)N5CCCC5)cc4C)cc3)c2c1,OKCCXPRHVNFPSX-UHFFFAOYSA-N
-rxn:4:202726:224561,Cc1c(O[Si](C)(C)C(C)(C)C)cccc1-c1ccc2c(c1)CCN2C1CCN(C(=O)OC(C)(C)C)CC1,ULUQPFWKBCVRMF-UHFFFAOYSA-N
-rxn:4:202754:223279,CC(C)(C)OC(=O)N1CCC(N2CCCc3cc(-c4cnc(C5CCCN5)nc4)ccc32)CC1,YGXQUDPMPTVZCV-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:4:202807:223279,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2cnc(C3CCCN3)nc2)cc1,RYZHYPATIYOXHN-UHFFFAOYSA-N
-rxn:4:202807:224179,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2ccc(OCCN3CCN(C)CC3)cc2)cc1,OXBGKEYMTJETTK-UHFFFAOYSA-N
-rxn:4:202811:223279,O=C(N1CCC(Oc2ncccc2-c2cnc(C3CCCN3)nc2)CC1)C12CC3CC(CC(C3)C1)C2,FCZALPPXRWAXHF-UHFFFAOYSA-N
-rxn:4:203100:223534,CCCOc1ncc(-c2cc(OC3CCN(C(=O)OC(C)(C)C)CC3)ncc2F)c(C)n1,RUAQNLDQAYOUMX-UHFFFAOYSA-N
-rxn:4:203223:223992,Cc1ccc(-c2cncc(C(=O)ON3C(=O)CCC3=O)c2)cc1S(=O)(=O)N1CCN(C)CC1,SUNHJMHGVNSVOV-UHFFFAOYSA-N
-rxn:4:203709:223179,CONC(=O)c1cc(-c2ccc(C(=O)N3CCC(N4C(=O)COC4=O)C3)o2)ccc1F,JVRIPHDRKQSDOH-UHFFFAOYSA-N
-rxn:4:203712:223179,CONC(=O)c1cc(-c2ccc(S(=O)(=O)N3C=CC(C(F)(F)F)=NCC3)cc2)ccc1F,LFOYCVXUVGNOPA-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:4:203731:222442,O=C(c1ccc(-c2ccc(S(=O)(=O)NC3CCCC3)c3ccccc23)o1)N1CC(N2CCCC2)C1,YJCNKVOTBCUBLJ-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:4:203759:226844,O=C(c1cc(-c2cc(N3CCCC(C(F)(F)F)C3)c([N+](=O)[O-])cc2F)ccn1)C(F)(F)F,CCNLIPNTUZWEQD-UHFFFAOYSA-N
-rxn:4:203760:226844,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:4:203790:223179,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:4:203799:222723,CC(=O)N1CCCC(Cc2cccc(-c3cccc(NS(=O)(=O)N4CCOCC4)c3)n2)C1,GWSDRQZARUWUDU-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:4:203841:226844,O=C(c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1)N1CCC(N2C(=O)COC2=O)C1,MYCRRNDKWIZPIN-UHFFFAOYSA-N
-rxn:4:203884:224322,CC1CCN(S(=O)(=O)c2ccc(-c3ccc(CS(=O)(=O)N4CCN(C)CC4)cc3)cc2)CC1,XEQOWWXBGCEIND-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:4:203986:226844,O=C(c1cc(-c2ccnc(C(=O)C(F)(F)F)c2)ccc1Cl)N1CCC(N2C(=O)CSC2=O)CC1,JBNCEVCULVMBNI-UHFFFAOYSA-N
-rxn:4:203987:226844,O=C(c1cc(-c2ccnc(C(=O)C(F)(F)F)c2)ccc1Cl)N1CCC(N2C(=O)COC2=O)CC1,ZCNQZLNBYLZJKH-UHFFFAOYSA-N
-rxn:4:204013:222845,CC(c1ccc(-c2ccccc2S(=O)(=O)N2CCC(N(C)C)CC2)cc1)N1CCNCC1,ZEZYGMAURRZSBJ-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:4:204059:222537,O=S(=O)(c1ccc(-c2cc(C3CCCC3)nc(C3CCCNC3)c2)cc1)N1CCN(c2ccccc2Cl)CC1,MEPARGARKLXZEO-UHFFFAOYSA-N
-rxn:4:204075:227119,CC(=O)N1CCN(S(=O)(=O)c2cc(C)c(-c3cc(C4CCCCC4)cs3)cc2C)CC1,WXGJERXNPNJQRO-UHFFFAOYSA-N
-rxn:4:204082:223179,CONC(=O)c1cc(-c2cccc(C(=O)N3CCC(N4C(=O)COCC4=O)CC3)c2)ccc1F,OCVRVZPTTDYXJE-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:4:204097:224721,Cc1nn(CC(=O)OC(C)(C)C)c(C)c1-c1ccccc1C(C)N1CCN(C(C)C)CC1,ZVNVAEBKDRBBPT-UHFFFAOYSA-N
-rxn:4:204100:223071,CCS(=O)(=O)NCc1ccc(-c2cccc(C(=O)N3CCCN(C4CCC4)CC3)c2)cc1,CCTWUWZFGCXMOO-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:4:204111:226844,O=C1C(=Cc2ccc(-c3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3)o2)SC(=S)N1N1CCOCC1,RUIKZWWCTCABIO-UHFFFAOYSA-N
-rxn:4:204114:223179,CONC(=O)c1cc(-c2ccc(C(=O)N3CCCN(C4CCSCC4)CC3)o2)ccc1F,AOIJEEJGOOEZEU-UHFFFAOYSA-N
-rxn:4:204115:223183,CNS(=O)(=O)c1ccc(-c2ccccc2S(=O)(=O)N2CCCN(C3CCC3)CC2)c(C)c1,CBRANZLHNAWBOE-UHFFFAOYSA-N
-rxn:4:204115:223190,CNS(=O)(=O)c1ccc(F)cc1-c1ccccc1S(=O)(=O)N1CCCN(C2CCC2)CC1,GHFZLDQXILZUNW-UHFFFAOYSA-N
-rxn:4:204115:226844,O=C(c1cc(-c2ccccc2S(=O)(=O)N2CCCN(C3CCC3)CC2)ccn1)C(F)(F)F,QDXOUDCUMVBDMI-UHFFFAOYSA-N
-rxn:4:204117:223179,CONC(=O)c1cc(-c2cccc(C(=O)N3CCCN(C4CCSC4)CC3)c2)ccc1F,XGGZAIBVFGUMCJ-UHFFFAOYSA-N
-rxn:4:204117:226844,O=C(c1cccc(-c2ccnc(C(=O)C(F)(F)F)c2)c1)N1CCCN(C2CCSC2)CC1,VJNBLXDYAWEWJT-UHFFFAOYSA-N
-rxn:4:204121:223279,O=C(c1cc(-c2cnc(C3CCCN3)nc2)ccc1Cl)N1CCCN(C2CCOC2)CC1,ALCGCXSIGAZISI-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:4:204134:223179,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:4:204150:223179,CONC(=O)c1cc(-c2cccc(C(=O)N3CCCN(C4CCSCC4)CC3)c2)ccc1F,VHVFFIMOKDSMIE-UHFFFAOYSA-N
-rxn:4:204153:224421,Cc1ccc(N2CCN(S(=O)(=O)c3ccc(-c4c(C(C)C)cc(C(C)C)cc4C(C)C)c(C)c3)CC2)cc1,RPGFMSXLPYNOTK-UHFFFAOYSA-N
-rxn:4:204157:223608,Cc1cccc(C)c1N1CCN(S(=O)(=O)c2ccc(-c3ccc(OC(F)(F)F)c(S(=O)(=O)N4CCOCC4)c3)cc2)CC1,JRFPJZYYPIZEKW-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:4:204168:226182,CC1CCN(Cc2ccc(-c3cccnc3C3CCCCC3)cc2N2CCOCC2)CC1,QABFRFOGVCZVGN-UHFFFAOYSA-N
-rxn:4:204169:226374,CC1CN(Cc2ccc(-c3cncnc3C3CCCCC3)cc2N2CCCCC2)CCO1,WERBWGQJFRNKFY-UHFFFAOYSA-N
-rxn:4:204170:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(CN2CCCCC2C)c(N2CCCCC2)c1,WEFQXPIZJWPCPA-UHFFFAOYSA-N
-rxn:4:204507:222635,C[C@H](NC(=O)OC(C)(C)C)c1cccc(-c2nc3c(s2)CN(C(=O)OC(C)(C)C)CC3)c1,MLPJEEDEBFUBRQ-HNNXBMFYSA-N
-rxn:4:204514:223499,CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(-c3cnc4c(c3)CN(C(=O)OC(C)(C)C)C4)ccc2Cl)CC1,JAHDPDFMIGBQPL-UHFFFAOYSA-N
-rxn:4:204599:223506,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cccc(-c3ccnc4c3CCN(C(=O)OC(C)(C)C)C4)c2)CC1,LOKNLXSLOUBZJO-UHFFFAOYSA-N
-rxn:4:204606:223520,CC(c1ccc(-c2cc3c(nc2Cl)CN(C(=O)OC(C)(C)C)CC3)cc1)N1CCN(C(=O)OC(C)(C)C)CC1,WKMUFKAZPZXZNR-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:4:204697:226844,COC(=O)C1=C(C)N=C2SC(C)C(=O)N2C1c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1,BGXNURONLHSUIH-UHFFFAOYSA-N
-rxn:4:204700:223279,O=C(c1ccc(-c2cnc(C3CCCN3)nc2)o1)N1CC(N2C(=O)C3CC=CCC3C2=O)C1,GCBXORPOXPAOTP-UHFFFAOYSA-N
-rxn:4:204700:226844,O=C(c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)o1)N1CC(N2C(=O)C3CC=CCC3C2=O)C1,BQEMAEDRMLCTFH-UHFFFAOYSA-N
-rxn:4:204740:226003,CCN1C(=O)C(=C2SC(=S)N(CC(C)C)C2=O)c2cc(-c3cc([N+](=O)[O-])ccc3C(=O)OC)ccc21,VBAWDZLZUXKYSN-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:4:204756:226844,O=C(c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1)N1CC(N2CC3CCCC3C2)C1,BANJIVXTBSYFEH-UHFFFAOYSA-N
-rxn:4:204764:223279,O=C1C2CC=CCC2C(=O)N1C1CN(S(=O)(=O)c2ccc(-c3cnc(C4CCCN4)nc3)cc2)C1,VIOBNQZQZZJRSI-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:4:204772:226844,CCN1C(=O)C(=C2SC(=S)N(Cc3ccccc3)C2=O)c2cc(-c3ccnc(C(=O)C(F)(F)F)c3)ccc21,FDMPMLDXMPVGCU-UHFFFAOYSA-N
-rxn:4:204774:223279,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:4:204780:223179,CONC(=O)c1cc(-c2ccc(S(=O)(=O)N3CC(N4CC5CCCC5C4)C3)cc2)ccc1F,QBLCQAZKVDYYGL-UHFFFAOYSA-N
-rxn:4:204780:226844,O=C(c1cc(-c2ccc(S(=O)(=O)N3CC(N4CC5CCCC5C4)C3)cc2)ccn1)C(F)(F)F,OSEXDTSBSRHVSH-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:4:204804:223179,CONC(=O)c1cc(-c2ccccc2S(=O)(=O)N2C3CCC2CC(N2C(=O)CCC2=O)C3)ccc1F,IZAXRFFGFPSYRC-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:4:204846:226844,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:4:204866:226844,CC1CCN(C(=O)C2=CN(c3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3)c3ccccc3S2(=O)=O)CC1,OOKKZOPZJSXCOI-UHFFFAOYSA-N
-rxn:4:204874:223279,O=C1C2C(c3ccc(-c4cnc(C5CCCN5)nc4)cc3)OC3(C(=O)c4ccccc4C3=O)C2C(=O)N1c1cccc([N+](=O)[O-])c1,QZOXRTOQHDKXBI-UHFFFAOYSA-N
-rxn:4:204874:226844,O=C1C2C(c3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3)OC3(C(=O)c4ccccc4C3=O)C2C(=O)N1c1cccc([N+](=O)[O-])c1,PCJSVKSNAHUIJA-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:4:204875:223279,O=C1C2C(c3ccc(-c4cnc(C5CCCN5)nc4)cc3)OC3(C(=O)c4ccccc4C3=O)C2C(=O)N1c1ccc([N+](=O)[O-])cc1,PAAAGWJKXBOBQO-UHFFFAOYSA-N
-rxn:4:204875:226844,O=C1C2C(c3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3)OC3(C(=O)c4ccccc4C3=O)C2C(=O)N1c1ccc([N+](=O)[O-])cc1,HWJMDEUCFPUJKL-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:4:204893:226844,CC(C)(C)OC(=O)N1C2CCCC1c1sc(-c3ccnc(C(=O)C(F)(F)F)c3)nc1C2,ZMOHECNYIWPXPM-UHFFFAOYSA-N
-rxn:4:204955:225987,COc1ccc(C2=NN3C(C2)c2cc(-c4ccc(N5CCCS5(=O)=O)cc4)ccc2OC3C2CCCCC2)cc1,YPCLLPOFCWHTJI-UHFFFAOYSA-N
-rxn:4:204955:227710,COc1ccc(C2=NN3C(C2)c2cc(-c4ccc(OS(C)(=O)=O)cc4)ccc2OC3C2CCCCC2)cc1,AUJSURBVLKIBKI-UHFFFAOYSA-N
-rxn:4:205126:223480,COC(=O)c1cnc(Cl)c(-c2cc(C)c(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c(C)c2)n1,JEYGAOFVRRESBQ-UHFFFAOYSA-N
-rxn:4:206522:222389,O=S(=O)(c1ccc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)cn1)N1CCSCC1,FURNAGUDEUWQMF-UHFFFAOYSA-N
-rxn:4:206522:222546,O=S(=O)(c1ccc(-c2ccc(OCCNC3CCCCC3)c(F)c2)cn1)N1CCSCC1,GGRJIHZVHSLLLF-UHFFFAOYSA-N
-rxn:4:206797:224188,CC(C)N(C(=O)c1ccc(-c2ccc(C3CN(S(C)(=O)=O)CCO3)nc2)c(Cl)c1)C(C)C,HGIUAHRXYALEMT-UHFFFAOYSA-N
-rxn:4:206846:223671,CC(=O)N1CCCC(c2ccc(-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)cn2)C1,QIWLKSBMZPWLNU-UHFFFAOYSA-N
-rxn:4:206948:224320,Cc1ccc(S(=O)(=O)N2CCCCC2)cc1-c1cccc(S(=O)(=O)N2CCC(C)CC2)n1,CMJAOSWBBISYAD-UHFFFAOYSA-N
-rxn:4:206962:222723,CS(=O)(=O)N1CCCC(c2ccc(-c3cccc(NS(=O)(=O)N4CCOCC4)c3)cn2)C1,SJLYHRWVLQNCTL-UHFFFAOYSA-N
-rxn:4:207028:223505,CC(C)N1CCCC(c2cccc(-c3ccc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)cc3)n2)C1,GCDUWCXROMSULW-UHFFFAOYSA-N
-rxn:4:207070:222628,CN1CCN(c2cc(-c3cc(C4CCC4)nc(C4CCCNC4)c3)cc(C3CC3)c2)CC1,ARXKRSRJHZHPHS-UHFFFAOYSA-N
-rxn:4:207381:223503,COC(=O)c1c[nH]c2nc(C)c(-c3c(F)cc(OC4CCN(C(=O)OC(C)(C)C)CC4)cc3F)cc12,OGWUYVLEQFXQJC-UHFFFAOYSA-N
-rxn:4:207575:222466,CCn1ncc(-c2cc(C3CCCCC3)nc(C3CCNCC3)c2)c1C12CCCCC1O2,KAFVHTFZNCBTEK-UHFFFAOYSA-N
-rxn:4:207635:223577,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3ccc4[nH]c(C(=O)N5CCOCC5)cc4c3)cc2)CC1,PFLJZVBEEVYGKY-UHFFFAOYSA-N
-rxn:4:207759:226031,CC(=O)N=C1SC2CS(=O)(=O)CC2N1c1ccc(-c2ccc(C(F)(F)F)cc2C(F)F)cc1Cl,BSQQACRUUBYZQX-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:4:207779:222905,CC(C)(C)OC(=O)Nc1ncccc1-c1ccc(S(=O)(=O)N2CCN3CCC2CC3)cc1,XWOUDOKIKOZDCT-UHFFFAOYSA-N
-rxn:4:207779:223842,CC1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2ccc(S(=O)(=O)N3CCN4CCC3CC4)cc2)CC1,LRZDQLOBFARQAJ-UHFFFAOYSA-N
-rxn:4:207828:224421,CC(C)c1cc(C(C)C)c(-c2cccc(N3C(=O)N(c4ccc(F)cc4)C4CS(=O)(=O)CC43)c2)c(C(C)C)c1,OAFNLUXVDBDAKQ-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:4:207847:223568,Cc1ccc(N2C(=O)N(c3cccc(-c4cnc5c(ccn5[Si](C(C)C)(C(C)C)C(C)C)c4Cl)c3)C3CS(=O)(=O)CC32)cc1,ZUBLWLCVDSVPNY-UHFFFAOYSA-N
-rxn:4:207854:225638,CC1CCN(c2ccc(-c3ccc4c(c3)CCN4C3CCN(C4CCC4)CC3)cn2)CC1,FBFUUGCBIYLGNG-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:4:209243:223530,CC(C)(C)OC(=O)N1CCN(Cc2ccc(F)cc2-c2ccc(N3CCSC3)nc2)CC1,NFMRQRUAMCRRJE-UHFFFAOYSA-N
-rxn:4:211089:224307,CC(C)(C)[Si](C)(C)Oc1cc(F)c(-c2ccc3c(c2)N2CCCCCC2=C(C#N)S3(=O)=O)c(F)c1,BIRQQIXEXYJUOY-UHFFFAOYSA-N
-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:4:212526:224286,N#CC1CCN(CCOc2ccc([N+](=O)[O-])cc2-c2ccc(OCCN3CCOCC3)c(Cl)c2)CC1,NFVHVRNWLVTHQM-UHFFFAOYSA-N
-rxn:4:212542:225801,CCOCC(=O)N1CCCC(Oc2ncc(-c3ccnc(OC4CCCC4)c3Cl)cn2)C1,HRONHYINPCECFI-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:4:212568:223279,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:4:212569:226844,O=C(CSC1CCCC1)N1CC(Cn2cc(-c3ccnc(C(=O)C(F)(F)F)c3)cn2)C1,JESCVBGTMPKLPL-UHFFFAOYSA-N
-rxn:4:212587:222740,CCOc1ccc(S(=O)(=O)N2CC(Cn3cc(-c4cc(C(C)C)nc(C5CCCNC5)c4)cn3)C2)cc1,RIISLXSIRFVYFF-UHFFFAOYSA-N
-rxn:4:212587:223506,CCOc1ccc(S(=O)(=O)N2CC(Cn3cc(-c4cccc(S(=O)(=O)N5CCN(C(=O)OC(C)(C)C)CC5)c4)cn3)C2)cc1,GANBQOZCJWHWRS-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:4:212597:224777,Cc1cccc(OCC(=O)N2CCC(Oc3ncc(-c4cnc(C5CCCC5)c(C(F)(F)F)c4)cn3)C2)c1,IUJNZNWJPWONQX-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:4:212630:222651,O=C(NC1CCCCC1)c1ccc(F)c(-c2cncc(C(=O)N3CCCC(COc4ncccc4C(F)(F)F)C3)c2)c1,CWFQULRWNAQKIJ-UHFFFAOYSA-N
-rxn:4:212630:225758,CC(C)(C)OC(=O)c1cnccc1-c1cncc(C(=O)N2CCCC(COc3ncccc3C(F)(F)F)C2)c1,POALEIWPWMQAKL-UHFFFAOYSA-N
-rxn:4:212631:224777,O=C(c1cncc(-c2cnc(C3CCCC3)c(C(F)(F)F)c2)c1)N1CCC(COc2ncccc2C(F)(F)F)CC1,YWMUBGNZRFIBLI-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:4:212636:223279,CC(C)(C)OC(=O)N1CCC(CCn2cc(-c3cnc(C4CCCN4)nc3)cn2)CC1,KZSAAZPFBKPEIW-UHFFFAOYSA-N
-rxn:4:212636:226844,CC(C)(C)OC(=O)N1CCC(CCn2cc(-c3ccnc(C(=O)C(F)(F)F)c3)cn2)CC1,FWVHRFDUVQEDIF-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:4:212641:223279,COCCN1C(=O)CN(C2CCN(C(=O)c3ccc(-c4cnc(C5CCCN5)nc4)o3)CC2)C1=O,HXICQLILBJKGIS-UHFFFAOYSA-N
-rxn:4:212645:223179,CONC(=O)c1cc(-c2cn(C)nc2CN(C(=O)OC(C)(C)C)C2CCOCC2)ccc1F,IYTVMZJXQRDLPA-UHFFFAOYSA-N
-rxn:4:212648:223279,Cn1cc(-c2cnc(C3CCCN3)nc2)c(OCC2CCN(C(=O)OC(C)(C)C)CC2)n1,LGXPCEWYBQPNBB-UHFFFAOYSA-N
-rxn:4:212649:223279,CCC(C)(C)C(=O)N1CCCC(COc2ncc(-c3cnc(C4CCCN4)nc3)cn2)C1,BLXUJKVSFXKDGH-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:4:212652:226844,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:4:212665:225984,COc1ccccc1S(=O)(=O)N1CCCC(COc2ncc(-c3cnc(Cl)c(N4CCOCC4)c3)cn2)C1,RNQSSKKJCKMQKH-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:4:212685:223179,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:4:212689:223179,CONC(=O)c1cc(-c2cn(C)nc2CN(C(=O)OC(C)(C)C)C2CCCCC2)ccc1F,ICLSXXDEVALKIG-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:4:212704:223179,CONC(=O)c1cc(-c2cccc(N(C)CC3CCN(C(=O)OC(C)(C)C)CC3)n2)ccc1F,PVHJYWQHAFGMRV-UHFFFAOYSA-N
-rxn:4:212704:223279,CN(CC1CCN(C(=O)OC(C)(C)C)CC1)c1cccc(-c2cnc(C3CCCN3)nc2)n1,LXNRCUOQZNTBIQ-UHFFFAOYSA-N
-rxn:4:212722:223179,CONC(=O)c1cc(-c2ccc(CN(C(=O)N3CCN(C)CC3)S(=O)(=O)c3ccc(C)cc3)cc2)ccc1F,PRPZDZUJNKHZOR-UHFFFAOYSA-N
-rxn:4:212730:224597,COc1ccc(-c2noc(C3CCCN(S(=O)(=O)c4ccc(-c5cc(C6CC6)cc(N6CCOCC6)c5)cc4)C3)n2)c(OC)c1,KISFOHGJYQXMEV-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:4:212734:223179,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:4:212737:223279,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:4:212738:227528,COC(=O)c1ccc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)c(N3CCOCC3)c2)cc1F,YMENMIXAJLZQPH-UHFFFAOYSA-N
-rxn:4:212739:223534,CC(C)(C)OC(=O)N1CCC(Oc2cc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)c(N4CCCCC4)c3)c(F)cn2)CC1,PLBISICMHGDDFK-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:4:212740:223279,CC(C)(C)OC(=O)N1CCN(c2cc(CN3CCCCC3)cc(-c3cnc(C4CCCN4)nc3)c2)CC1,NLDFPXCHDYMERM-UHFFFAOYSA-N
-rxn:4:212740:223659,CC(C)(C)OC(=O)N1CCC(Cn2cc(-c3cc(CN4CCCCC4)cc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)cn2)CC1,NHOKRHZIKLJBLI-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:4:212741:223279,CC1CN(Cc2ccc(-c3cnc(C4CCCN4)nc3)cc2N2CCCC2)CCN1C(=O)OC(C)(C)C,KBZDRFIOCXXCHK-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:4:212742:223279,CC1CN(C(=O)OC(C)(C)C)CCN1Cc1ccc(-c2cnc(C3CCCN3)nc2)cc1N1CCCC1,NHJNPDXFXGPBCP-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:4:212743:223279,CC(C)(C)OC(=O)N1CCC(CN2CCN(c3ccc(-c4cnc(C5CCCN5)nc4)cc3)CC2)CC1,MZYRTGRRQGHKBL-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:4:212744:224279,CC(C)(C)OC(=O)N1CCN(c2cc(CN3CCC(F)(F)CC3)cc(-c3ccc4c(c3)ncn4C(=O)OC(C)(C)C)c2)CC1,AVQPBHJOULLSLB-UHFFFAOYSA-N
-rxn:4:212744:225018,Cc1cc(Oc2ccc(-c3cc(CN4CCC(F)(F)CC4)cc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)cc2)ccn1,NIDNPUJHARSSLM-UHFFFAOYSA-N
-rxn:4:212746:223279,CC1CN(Cc2ccc(-c3cnc(C4CCCN4)nc3)cc2N2CCOCC2)CCN1C(=O)OC(C)(C)C,WHKXEJGVDXQHQA-UHFFFAOYSA-N
-rxn:4:212748:223279,CC1CN(c2cc(CN3CCCCC3)cc(-c3cnc(C4CCCN4)nc3)c2)CCN1C(=O)OC(C)(C)C,URSUMYSVKRWADV-UHFFFAOYSA-N
-rxn:4:212750:223179,CONC(=O)c1cc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3C)c(N3CCCCC3)c2)ccc1F,RBCPVOOHZFLRNS-UHFFFAOYSA-N
-rxn:4:212750:223279,CC1CN(C(=O)OC(C)(C)C)CCN1Cc1ccc(-c2cnc(C3CCCN3)nc2)cc1N1CCCCC1,OPJKRKANXZBCHI-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:4:212771:225226,CC1CCN(c2cc(-c3ccc4nc(N(CCN(C)C)C(=O)C5=COCCO5)sc4c3)c(F)cn2)CC1,PEWCYYPCTXHPSJ-UHFFFAOYSA-N
-rxn:4:212779:224370,COC(=O)CS(=O)(=O)c1nnc(-c2cc(C(F)(F)F)ccc2C(=O)OC(C)C)n1-c1ccc(C2CC2)c2ccccc12,GOEWHKRCEDLUMQ-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:4:212798:226844,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:4:212827:223279,CN(C(=O)OC(C)(C)C)C1CCN(C(=O)c2cc3cc(-c4cnc(C5CCCN5)nc4)ccc3[nH]2)CC1,ZDBXXFDXKGAPON-UHFFFAOYSA-N
-rxn:4:212829:223279,CN(C(=O)c1cc2cc(-c3cnc(C4CCCN4)nc3)ccc2[nH]1)C1CCN(C(=O)OC(C)(C)C)CC1,KHLNMOXJAFBFJO-UHFFFAOYSA-N
-rxn:4:212839:223064,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4ccc(C5CCNCC5)nc4F)ccn23)CC1,GYJOSRAJARPUBL-UHFFFAOYSA-N
-rxn:4:212923:223593,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc(C4(C#N)CN(C(=O)OC(C)(C)C)C4)nc3)cc2Cl)CC1,OGRRVPTVKBQEAQ-UHFFFAOYSA-N
-rxn:4:212927:222612,N#Cc1nc(COc2ccc(-c3cc(S(=O)(=O)N4CCC(O)CC4)ccc3F)cc2)oc1N1CCOCC1,YTLGLUMMCAIEFC-UHFFFAOYSA-N
-rxn:4:212938:225009,CCC(=O)N1CCCC(COc2ncc(-c3cc(C)cnc3OC3CCCCC3)cn2)C1,CTRVITARGDKLTC-UHFFFAOYSA-N
-rxn:4:212966:224157,CC(C)(C)OC(=O)N1CCC(Oc2ncc(-c3cn(C(=O)OC(C)(C)C)c4ccccc34)cn2)C1,FXOZUATVBPKLMY-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:4:212988:223279,CC(C)(C)OC(=O)N1CCN(C(=O)c2csc(-c3cnc(C4CCCN4)nc3)n2)CC1,XHPUGKTZQFYWIU-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:4:212991:222913,O=S(=O)(NCc1ccc(-c2cnc(OCC3CCN(S(=O)(=O)C4CC4)CC3)nc2)cc1)C1CC1,OTGWUEIECVYLQR-UHFFFAOYSA-N
-rxn:4:212991:222944,O=S(=O)(NC1CC1)c1ccc(-c2cnc(OCC3CCN(S(=O)(=O)C4CC4)CC3)nc2)c(F)c1,FQZMJYVXMLNFAO-UHFFFAOYSA-N
-rxn:4:212991:223074,O=S(=O)(Nc1cccc(-c2cnc(OCC3CCN(S(=O)(=O)C4CC4)CC3)nc2)c1)C1CC1,WBWMUYDPQKEVFN-UHFFFAOYSA-N
-rxn:4:212991:223075,O=S(=O)(Nc1ccc(-c2cnc(OCC3CCN(S(=O)(=O)C4CC4)CC3)nc2)cc1)C1CC1,FUSUDAXVYKYYDG-UHFFFAOYSA-N
-rxn:4:212991:223076,O=S(=O)(NC1CC1)c1cccc(-c2cnc(OCC3CCN(S(=O)(=O)C4CC4)CC3)nc2)c1,MZHYYXUNIIWMGN-UHFFFAOYSA-N
-rxn:4:212991:223077,O=S(=O)(NC1CC1)c1ccc(-c2cnc(OCC3CCN(S(=O)(=O)C4CC4)CC3)nc2)cc1,BPIXUMOCVZZFKG-UHFFFAOYSA-N
-rxn:4:212991:225987,O=S1(=O)CCCN1c1ccc(-c2cnc(OCC3CCN(S(=O)(=O)C4CC4)CC3)nc2)cc1,ASQZEJCRLWTSGA-UHFFFAOYSA-N
-rxn:4:212992:223076,O=S(=O)(NC1CC1)c1cccc(-c2cnc(OCC3CCCN(S(=O)(=O)C4CC4)C3)nc2)c1,NLKBEQHGRVPVIF-UHFFFAOYSA-N
-rxn:4:213039:226479,CCCCOc1nccc(-c2cncc(OC3CCN(C(=O)OC(C)(C)C)CC3)n2)c1Cl,DANAFJSLTDZGOU-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:4:213041:222483,Cc1ccc(NC(=O)c2ccc(F)c(-c3cnc(OC4CCN(C(=O)OC(C)(C)C)CC4)cn3)c2)c(C)c1,ISMVSPPOUXPJEF-UHFFFAOYSA-N
-rxn:4:213041:223503,CC(C)(C)OC(=O)N1CCC(Oc2cc(F)c(-c3cnc(OC4CCN(C(=O)OC(C)(C)C)CC4)cn3)c(F)c2)CC1,VLAGGIBWOCMDDM-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:4:213048:223830,CCN1CCN(S(=O)(=O)c2cc(-c3cnn(CC4CN(S(=O)(=O)c5ccc(OC)c(C)c5)C4)c3)ccc2C)CC1,WHFWUTWPRMQFPI-UHFFFAOYSA-N
-rxn:4:213058:224250,CC1CCCCN1C(=O)c1ccc(F)c(-c2cnc(OC3CCCN(C(=O)Cc4ccc(F)cc4)C3)nc2)c1,XVKGTSSGJXMEPM-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:4:213071:223179,CONC(=O)c1cc(-c2ccn(CC3CCN(C(=O)OC(C)(C)C)CC3)n2)ccc1F,NECNMWMPJTYFMD-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:4:213073:226844,CC(C)(C)OC(=O)N1CCC(Cn2nccc2-c2ccnc(C(=O)C(F)(F)F)c2)CC1,KNUBMXKMMMOIFV-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:4:213077:226844,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:4:213080:226750,COc1ccc(C(F)(F)F)cc1-c1cncc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1,ZAKPGBUFEIPUBA-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:4:213092:223179,CONC(=O)c1cc(-c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)ccc2C#N)ccc1F,QUOINRBEWTXAHA-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:4:213100:226844,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:4:213106:224765,COc1ccc(-c2cc(C(F)(F)F)ccc2N2CCCC2)c(C(=O)N2CCCC(Oc3ccncn3)C2)c1,JHLOCTVAZVZDKA-UHFFFAOYSA-N
-rxn:4:213126:223935,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cc4cccc(F)c4n3C(=O)OC(C)(C)C)nc2)CC1,SRAHHFFCJHUSCG-UHFFFAOYSA-N
-rxn:4:213130:224991,CC(C)(C)OC(=O)N1CCN(Cc2cncc(-c3cc(C4CC4)nc(N4CCCC4)c3)c2)CC1,KADKSEUZRSOGPY-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:4:213131:226437,CC(C)(C)C(=O)N1CCC(COc2ncc(-c3cc(C4CCCC4)ncc3F)cn2)CC1,PJSSNFJDGBUAMD-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:4:213136:223179,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:4:213140:226844,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:4:213143:226844,CC(C)(C)OC(=O)N1CCN(c2cc(-c3ccnc(C(=O)C(F)(F)F)c3)ccc2[N+](=O)[O-])CC1,AGIDAMFSZXSESO-UHFFFAOYSA-N
-rxn:4:213144:226844,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:4:213188:226844,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:4:213197:226844,CCOC(=O)N1CCN(C2CC(=O)N(c3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3)C2=O)CC1,MURKCEYXAZVLKQ-UHFFFAOYSA-N
-rxn:4:213201:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3ccccc3S(=O)(=O)N3CCC(COc4cc(C)ncn4)CC3)c2)CC1,IYNFGHGMPJMWGT-UHFFFAOYSA-N
-rxn:4:213202:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3ccccc3S(=O)(=O)N3CCC(COc4ccc(C)nn4)CC3)c2)CC1,LOFORLHSWBSSKY-UHFFFAOYSA-N
-rxn:4:213216:223279,c1nc(OCC2CCCN(CC3CCCCO3)C2)ncc1-c1cnc(C2CCCN2)nc1,YZQHNHANOFADKQ-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:4:213228:226844,CC1CN(S(=O)(=O)c2cncc(-c3ccnc(C(=O)C(F)(F)F)c3)c2)CCN1C(=O)OC(C)(C)C,HTIBCPQMFIGLLG-UHFFFAOYSA-N
-rxn:4:213239:226844,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:4:213244:223179,CONC(=O)c1cc(-c2ccc(CN3CCN(CC(F)(F)F)CC3)c(N3CCCC3)c2)ccc1F,WSJQZYOXXLSPBM-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:4:213273:224819,O=C(c1ccc(N2CCOCC2)cc1)N1CCC(Oc2ccncc2-c2ccc(S(=O)(=O)N3CCOCC3)cc2)C1,LLINGFTWRWVGAM-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:4:213327:223490,Cc1ccc(-c2ccc(-c3nc4sccn4c3C=NOCc3c(F)cccc3Cl)cc2)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,PLMHIJUTFQENLS-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:4:213395:222826,O=C(Cn1ccc2ccc(-c3cccc(S(=O)(=O)N4CCNCC4)c3)cc21)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1,GKEOOYHQVQSOQP-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:4:213439:223179,CONC(=O)c1cc(-c2cccc3c2ccn3CC(=O)N2CCN(C(=O)C3COc4ccccc4O3)CC2)ccc1F,AFCCYRBJNXBOMO-UHFFFAOYSA-N
-rxn:4:213439:223279,O=C(Cn1ccc2c(-c3cnc(C4CCCN4)nc3)cccc21)N1CCN(C(=O)C2COc3ccccc3O2)CC1,CFVANXSHWYQLLH-UHFFFAOYSA-N
-rxn:4:213440:223279,O=C(Cn1ccc2ccc(-c3cnc(C4CCCN4)nc3)cc21)N1CCN(C(=O)C2COc3ccccc3O2)CC1,GYENHGXRHOJAAQ-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:4:213441:223179,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:4:213444:223279,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:4:213453:226844,CC(C)C1N=C2c3ccccc3N=C(SCC(=O)c3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3)N2C1=O,LWJMEEOUNXMATK-UHFFFAOYSA-N
-rxn:4:213458:223279,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:4:213458:226844,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:4:213472:226844,O=C(c1ccccc1-c1ccnc(C(=O)C(F)(F)F)c1)N1CCN(CCN2C(=O)c3cccc4cccc(c34)C2=O)CC1,VEXKPNVGSBCPRV-UHFFFAOYSA-N
-rxn:4:213476:223279,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:4:213480:225594,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4ccc(F)cc4CN4CCCC4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,QKBJCAJERMMIHI-QPYSNBRXSA-N
-rxn:4:213481:223279,COC12CC(COC(=O)c3cncc(-c4cnc(C5CCCN5)nc4)c3)CN(C)C1Cc1cn(C)c3cccc2c13,MEHBVUKYJALNCB-UHFFFAOYSA-N
-rxn:4:213561:223498,CCCOc1cnn(-c2ccc(-c3ccc(C(=O)N4CCCN(C(=O)OC(C)(C)C)CC4)cc3)cn2)c1,BKLCLLQYJWEYFT-UHFFFAOYSA-N
-rxn:4:213642:223536,CC(C)(C)OC(=O)c1cn(-c2ccc(Cl)cc2-c2cc(F)c(F)c(N3CCN(C(=O)OC(C)(C)C)CC3)c2)nn1,ONIKDYYHCUHXGZ-UHFFFAOYSA-N
-rxn:4:213653:223227,CC(NC1CC1)c1ccc(-c2cncc(C(=O)N3CC(CN4C(=O)COC4=O)C3)c2)s1,WHEWGIOOQRMLNV-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:4:213665:224501,CCOC(=O)N1CCN(c2ncccc2-c2ccc(OCC3CCCCN3C)cc2)CC1,CFFGJCZWLAHMHL-UHFFFAOYSA-N
-rxn:4:213684:224325,CS(=O)(=O)N1CC=C(c2ccc(-c3cnn(CC4CN(CC5CCCO5)C4)c3)cc2)CC1,BVJXZBJMVVORPU-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:4:213693:226844,CC(C(=O)N1CCCC(C(F)(F)F)C1)n1cc(-c2ccnc(C(=O)C(F)(F)F)c2)cn1,HYDTXDODRWFXTG-UHFFFAOYSA-N
-rxn:4:213713:223638,CC(C)(C)OC(=O)N1CCCC(c2cccc(-c3cnc([C@@H]4CCCN4C(=O)OC(C)(C)C)[nH]3)c2)C1,YCTNEDZSSDJUJL-YANBTOMASA-N
-rxn:4:213755:224160,CC(C)(C)OC(=O)N1CCN(c2nc(-c3ccc4c(c3)CCN4C(=O)OC(C)(C)C)cs2)CC1,SRCLMLFCHBIBQG-UHFFFAOYSA-N
-rxn:4:213759:222929,CC(C)(C)OC(=O)N1CCCC1c1cnc(-c2cnc(Cl)c(N3CCC(O)CC3)c2)cn1,PUPCOBQVTDXSCI-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:4:213765:223975,CC(C)(C)OC(=O)N1CCC(c2cncc(-c3cn(C(=O)OC(C)(C)C)c4ccc(Cl)nc34)n2)C1,LXUGAODIMTZWCB-UHFFFAOYSA-N
-rxn:4:213786:222741,Cn1ccnc1S(=O)(=O)C1CN(S(=O)(=O)c2ccccc2-c2cc(C3CC3)nc(C3CCCNC3)c2)C1,JYPKFJCMEIFQFA-UHFFFAOYSA-N
-rxn:4:213801:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cncc(C4CN(C(=O)OC(C)(C)C)CCO4)n3)ccn2)CC1,UQCPELAAWKAJDE-UHFFFAOYSA-N
-rxn:4:213802:225048,Cc1cc(N2CCN(C)CC2)ccc1-c1cccnc1OC1CCN(S(=O)(=O)N(C)C)CC1,DIKTUPQCLNYLCM-UHFFFAOYSA-N
-rxn:4:213814:222604,COc1ccc(-c2cccnc2OC2CCN(C(=O)c3cccnc3C)C2)cc1S(=O)(=O)NC1CCCC1,MUYJTLDNNSJQGE-UHFFFAOYSA-N
-rxn:4:213843:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4=O)c3)ccn2)CC1,WDFRZAOVKMTIOS-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:4:213846:223179,CONC(=O)c1cc(-c2cccc(C(=O)N3CCN(S(=O)(=O)N(C)C)CC3)c2)ccc1F,BYHNDQCSUJGCKE-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:4:213874:225910,CCOc1cc(C(F)(F)F)ccc1-c1ccnc(N2CCN(C(=O)OC(C)(C)C)CC2)c1,RSBPWQAOIZRQEG-UHFFFAOYSA-N
-rxn:4:213875:224078,CC(C)(C)OC(=O)N1CCN(c2cccc(-c3cccc4c3ccn4[Si](C)(C)C(C)(C)C)n2)CC1,NNFWEKCCCOSFSJ-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:4:213901:225233,CC1CCCN(c2cc(-c3ccc(Cl)nc3N3CCN(C(=O)OC(C)(C)C)CC3)cnc2Cl)C1,BWGJQEOAZLVJNA-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:4:213905:222702,O=S(=O)(c1ccc(-c2cc(C3CCCNC3)ccc2C(F)(F)F)cc1)N1CCC(Cn2ccnc2)CC1,BYTRMXPCRIRCLX-UHFFFAOYSA-N
-rxn:4:213910:222944,O=S(=O)(NC1CC1)c1ccc(-c2cccnc2OC2CCN(S(=O)(=O)N3CCOCC3)C2)c(F)c1,PGJWGRXIWJAJHG-UHFFFAOYSA-N
-rxn:4:213910:223229,CC(=O)Nc1ccc(C)c(-c2cccnc2OC2CCN(S(=O)(=O)N3CCOCC3)C2)c1,RXGRNDFQPOQULC-UHFFFAOYSA-N
-rxn:4:213910:223289,CNS(=O)(=O)c1ccccc1-c1cccnc1OC1CCN(S(=O)(=O)N2CCOCC2)C1,AXDFQGRBWIEGMH-UHFFFAOYSA-N
-rxn:4:213938:223540,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1ccc(S(=O)(=O)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1,LHSRHDPSWAMKAA-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:4:213941:226844,Cc1c(-c2ccnc(C(=O)C(F)(F)F)c2)cnn1C1CCN(C(=O)OC(C)(C)C)CC1,UKNIRZFECVFHDO-UHFFFAOYSA-N
-rxn:4:213942:223886,Cc1nn(C2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1cccc2c1CCN(C(=O)OC(C)(C)C)C2,QKYWYICAGSEHGR-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:4:213955:226844,O=C(C1CC=CCC1)N1CCC(Oc2ncc(-c3ccnc(C(=O)C(F)(F)F)c3)cn2)CC1,PUWBZHPUXOUKFQ-UHFFFAOYSA-N
-rxn:4:213970:223994,Cc1ccc(S(=O)(=O)N2CCC(Oc3ncc(-c4cc(S(=O)(=O)N5CCN(C)CC5)ccc4C)cn3)CC2)cc1,CAOQRKGIPONDGN-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:4:213975:223179,CONC(=O)c1cc(-c2ccc(N3CCCN(C(=O)OC(C)(C)C)CC3)cn2)ccc1F,YSHYRCWQPHMJRD-UHFFFAOYSA-N
-rxn:4:213980:223531,CC1CN(C(=O)OC(C)(C)C)CCC1c1nccc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)c(Cl)c2)n1,VMIMDTPTYBZIJF-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:4:213992:223179,CONC(=O)c1cc(-c2cnc(OC3CCN(CC4CCOCC4)CC3)nc2)ccc1F,RPAOHUKRTOMCFW-UHFFFAOYSA-N
-rxn:4:213992:226844,O=C(c1cc(-c2cnc(OC3CCN(CC4CCOCC4)CC3)nc2)ccn1)C(F)(F)F,NIPKAZSVVMXZAL-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:4:213998:226844,CC1CN(c2cncc(-c3ccnc(C(=O)C(F)(F)F)c3)c2)CCN1C(=O)OC(C)(C)C,XCKCQUGXIOCCMT-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:4:214011:223542,Cc1nn(S(=O)(=O)c2ccc(-c3ccc(OC(F)(F)F)c(S(=O)(=O)N4CCN(C)CC4)c3)cc2)c(C)c1S(=O)(=O)N1CCCC1,IAUINQFJUPFHBK-UHFFFAOYSA-N
-rxn:4:214012:223055,Cc1nc(N2CCNCC2)ccc1-c1ccccc1S(=O)(=O)N1CCC(S(=O)(=O)c2nccn2C)CC1,XEJTUTQGJUKOMG-UHFFFAOYSA-N
-rxn:4:214033:227836,Cc1ccc(-c2cc(C3=N[C@@H](C(C)C)CO3)nc(C3=N[C@@H](C(C)C)CO3)c2)c(C2CC2)c1,FSHRZDLKKDDVIR-JWQCQUIFSA-N
-rxn:4:214042:223279,O=C(c1ccc(-c2cnc(C3CCCN3)nc2)o1)N1CCC(N2CC(=O)N(c3ccccc3)C2=O)CC1,XVEKASIRFDHKGY-UHFFFAOYSA-N
-rxn:4:214050:223279,C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)CN1c1ncc(-c2cnc(C3CCCN3)nc2)cc1F,CYJWIUBHDMDZMH-BUWRGNEYSA-N
-rxn:4:214056:223279,CC(=O)N1CCN(C2=NC(=O)C(=Cc3ccc(-c4ccccc4-c4cnc(C5CCCN5)nc4)o3)S2)CC1,FAOPWDQKIWBQBJ-UHFFFAOYSA-N
-rxn:4:214059:223175,CCS(=O)(=O)Nc1cccc(-c2ccc(N3CCC4(CC3)CN(C(=O)OC(C)(C)C)C4)nc2)c1,NHESLIJRTIVJCX-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:4:214065:223180,CONC(=O)c1ccc(-c2ccc(C(=O)n3nc(C)c(S(=O)(=O)N4CCC(C)CC4)c3C)cc2)cc1F,ZGZSNSHMARQYEY-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:4:214066:223279,O=C(c1ccccc1)N1CCN(C2CC(=O)N(c3cccc(-c4cnc(C5CCCN5)nc4)c3)C2=O)CC1,GNZXPUNENRHCLE-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:4:214071:223179,CONC(=O)c1cc(-c2cccc(C(=O)N3CCN(S(=O)(=O)N4CCCCCC4)CC3)c2)ccc1F,CVCRWTMGPSDVAJ-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:4:214081:223279,O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1C(=S)C(c2ccc(-c3cnc(C4CCCN4)nc3)cc2)=NC12CCCCCC2,FPWKYSYLEOCSCZ-UHFFFAOYSA-N
-rxn:4:214082:223179,CONC(=O)c1cc(-c2ccc(CN3CCN(C(C)C)CC3)c(N3CCOCC3)c2)ccc1F,BUEZUHYZYKHYPL-UHFFFAOYSA-N
-rxn:4:214096:222439,COC(=O)c1nn(CC(F)(F)F)c2ncc(-c3ccc(S(=O)(=O)NC4CCCCC4)cc3C(F)(F)F)cc12,ATMYTXMQLCQTIV-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:4:214146:223179,CONC(=O)c1cc(-c2c(C(F)(F)F)nc3n2CCN(C(=O)OC(C)(C)C)C3)ccc1F,JXNJCKOHHKMBNP-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:4:214147:223179,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:4:214185:226844,CC(C)(C)OC(=O)N1CCCn2nc(C(F)(F)F)c(-c3ccnc(C(=O)C(F)(F)F)c3)c2C1,NFBLIYASOOVFFW-UHFFFAOYSA-N
-rxn:4:214201:226844,CC(C)(C)OC(=O)N1C2CC1CN(c1ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cn1)C2,BBPHSPIAZJQUAT-UHFFFAOYSA-N
-rxn:4:214254:224328,CC1CCCCN1S(=O)(=O)c1cccc(-c2cnc3c(cnn3[Si](C(C)C)(C(C)C)C(C)C)c2)c1,HCZDHQBHMPKVFX-UHFFFAOYSA-N
-rxn:4:214256:223179,CONC(=O)c1cc(-c2nn(C3CCOC3)c3c2CN(C(=O)OC(C)(C)C)CC3)ccc1F,HXHDIVWADYTVAD-UHFFFAOYSA-N
-rxn:4:214273:223929,CC(C)(C)OC(=O)N1CCC(n2cnc3ccc(-c4cnc5c(c4)CCN(C(=O)OC(C)(C)C)C5)cc32)CC1,VYCJGGOPQNHKPO-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:4:214336:223179,CONC(=O)c1cc(-c2ccc(CN3CCC(N(C)C4=NS(=O)(=O)c5ccccc54)CC3)cc2)ccc1F,TWBCVKBLZDTILG-UHFFFAOYSA-N
-rxn:4:214342:222524,Cc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(-c4cc(F)c(F)cc4S(=O)(=O)N4CCC(O)CC4)cc3)CC2)c2ccccc2n1,ZVIWTFKVLYTZKY-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:4:214390:223279,CCOc1ccc(C2=NN3C(C2)c2cc(-c4cnc(C5CCCN5)nc4)ccc2OC32CCN(C(C)=O)CC2)cc1,KJTGNOIXJWAAJO-UHFFFAOYSA-N
-rxn:4:214391:223279,COc1ccc(C2=NN3C(C2)c2cc(-c4cnc(C5CCCN5)nc4)ccc2OC32CCN(Cc3ccccc3)CC2)cc1,SFHKVZJIGTWJDD-UHFFFAOYSA-N
-rxn:4:214709:224462,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc(C4CCN(C5CC5)CC4)cc3)cn2)CC1,LHNQBIJEOCSTSP-UHFFFAOYSA-N
-rxn:4:214711:223832,CCS(=O)(=O)N1CCN(c2ccc(-c3cc(S(=O)(=O)N4CCC(C)CC4)ccc3OC)cn2)CC1,DUTDKTIWZNHHLN-UHFFFAOYSA-N
-rxn:4:214711:224426,CCS(=O)(=O)N1CCN(c2ccc(-c3cc(C4CCCCC4)cc(C4CC4)c3)cn2)CC1,WWDHMXHXJAZUDX-UHFFFAOYSA-N
-rxn:4:214752:222621,CC(C)Cc1cc(-c2nc(C(=O)N3CCN(C(C)C)CC3)ccc2F)cc(C2CCCNC2)n1,QOTXEWROZGHLJJ-UHFFFAOYSA-N
-rxn:4:214820:223179,CONC(=O)c1cc(-c2cnc(N3CCOC(C(=O)N4CCCC4)C3)c(F)c2)ccc1F,CEPWLQXAXMDDIU-UHFFFAOYSA-N
-rxn:4:214829:226844,O=C(C1CN(c2ncccc2-c2ccnc(C(=O)C(F)(F)F)c2)CCO1)N1CCSCC1,GNPRLTFLWPYUQQ-UHFFFAOYSA-N
-rxn:4:214836:226844,O=C(C1CN(c2ncc(Cl)cc2-c2ccnc(C(=O)C(F)(F)F)c2)CCO1)N1CCSCC1,VYZKFIRIZBCWEB-UHFFFAOYSA-N
-rxn:4:214858:224155,CN1CCN(c2cc(-c3ccccc3S(=O)(=O)N3CCCC(c4ccn(C)n4)C3)cc(C3CC3)c2)CC1,FNLAFSIHUCLMRK-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:4:214867:223179,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:4:214872:223179,CONC(=O)c1cc(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCCCC3)C2)ccc1F,AEFHTHSGWGCVPD-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:4:214888:226844,O=C(c1cncc(-c2ccnc(C(=O)C(F)(F)F)c2)c1)N1CCC2(CC1)OC(=O)N(c1ccccc1)C2=O,COXGFNDGQFRVNK-UHFFFAOYSA-N
-rxn:4:214890:226844,O=C(c1cncc(-c2ccnc(C(=O)C(F)(F)F)c2)c1)N1CCCN(C2CCSCC2)CC1,CEYXKJWYJQANBD-UHFFFAOYSA-N
-rxn:4:214900:223179,CONC(=O)c1cc(-c2ccc(CN3CCN(C)CC3)c(N3CCCCC3)c2)ccc1F,VKOQLIZRDGTOPD-UHFFFAOYSA-N
-rxn:4:215062:224614,CN(C(=O)OC(C)(C)C)c1ccc(-c2ncc3n2CCN(C(=O)OC(C)(C)C)C3)cc1,ZQFFJASNAXPSHH-UHFFFAOYSA-N
-rxn:4:215097:225093,CCCOc1c(Cl)cc(-c2ncc3n2C(C)CN(C(=O)OC(C)(C)C)C3)cc1OCC,LMBMSXQSMRBXBN-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:4:215192:223645,CCOC(=O)C1CCCN(C(=O)c2cccc(-c3ccccc3N3CC(c4nc5ccccc5n4CC)CC3=O)c2)C1,DSKSVLUJILGCHI-UHFFFAOYSA-N
-rxn:4:215198:223179,CONC(=O)c1cc(-c2ccc3nc(N4CCOC(C(=O)N5CCOCC5)C4)sc3c2)ccc1F,GMBQDDRIAIPYIC-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:4:215285:223279,COc1ccc(N2C(=O)C3C(C2=O)N2CCCN2C3c2ccc(-c3cnc(C4CCCN4)nc3)cc2)cc1,POVOCVTYOXMONH-UHFFFAOYSA-N
-rxn:4:215295:225312,CN1CCCN(c2ncc(-c3cnc4n3CCc3ccccc3C43CCN(C(=O)OC(C)(C)C)CC3)cn2)CC1,NALXIGHUQRCLBW-UHFFFAOYSA-N
-rxn:4:215896:223671,CN1CCN(c2ccc([N+](=O)[O-])cc2-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)CC1,LVLIQRFPZHZWAZ-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:4:215989:223071,CCS(=O)(=O)NCc1ccc(-c2ccc(N3CCC(N4CCN(C)CC4)CC3)cc2)cc1,VWHYQDKPQKVUFD-UHFFFAOYSA-N
-rxn:4:216197:222546,O=[N+]([O-])c1ccc2c(c1)c(-c1ccc(OCCNC3CCCCC3)c(F)c1)nn2C1CCCCO1,MPPWYOYYLIFIDJ-UHFFFAOYSA-N
-rxn:4:217047:223660,CC1=NN(c2ccc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)s3)cn2)C(=O)C1,KLNVPOIPMBHPBT-UHFFFAOYSA-N
-rxn:4:217047:223671,CC1=NN(c2ccc(-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)cn2)C(=O)C1,SOCHEFNRJAOZIA-UHFFFAOYSA-N
-rxn:4:217199:223785,CCN1CCN(CCOc2ccc(-c3cnc(N4CCN(C)CC4)c(F)c3)cc2Cl)CC1,PTFVNFFDFFCKLE-UHFFFAOYSA-N
-rxn:4:217204:223679,CCN1CCN(S(=O)(=O)c2c(C)cc(-c3cc(N4CCC(C)CC4)nc(C)n3)cc2C)CC1,LPCQTUUONQDWIH-UHFFFAOYSA-N
-rxn:4:217206:223529,Cc1cc(N2CCC(C)CC2)nc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)c(F)c2)n1,VSZHNZSQAOFYOU-UHFFFAOYSA-N
-rxn:4:217865:223712,C=C1CC2CCC(C1)N2c1ncc(-c2ccc(OC)c(C34CC5CC(CC(C5)C3)C4)c2)cn1,RHDHNZUAJDMTFA-UHFFFAOYSA-N
-rxn:4:217889:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3cnc(N4C5CCC4CC(=C4CC4)C5)nc3)c2)CC1,MMHSXLOHVRHQJV-UHFFFAOYSA-N
-rxn:4:217907:224570,CC(c1ccc(-c2ccc3c(c2)C2CC(c4ccc(Cl)cc4)=NN2C2(CCN(C)CC2)O3)cc1)N1CCN(C)CC1,BHMHWJQOHSONBD-UHFFFAOYSA-N
-rxn:4:218567:225218,CC1CCCN(c2ncc(-c3cnc(N(C)CC4CN(C(=O)OC(C)(C)C)C4)cn3)cc2Cl)C1,ABEIHWOAOALWJY-UHFFFAOYSA-N
-rxn:4:218578:225899,Cc1cc(-c2cnn(C3(CC#N)CCN(C(=O)OC(C)(C)C)CC3)c2)n(C(=O)OC(C)(C)C)n1,OZQAQXBIDQYENY-UHFFFAOYSA-N
-rxn:4:218615:223528,CN(CC1CCN(C(=O)OC(C)(C)C)C1)c1cnc(-c2ccc(F)c(CN3CCN(C(=O)OC(C)(C)C)CC3)c2)cn1,ZODLPNFRJWGGRZ-UHFFFAOYSA-N
-rxn:4:218621:228687,CCSc1ccc(-c2cnc(OC3CCN(S(=O)(=O)CCN4C(=O)CCCC4=O)C3)nc2)cn1,IIPNIRRVRXFSPJ-UHFFFAOYSA-N
-rxn:4:218631:226309,CCOC(=O)c1cc(C)cc(-c2cnc(OCC3CCN(C4CCN(CC(F)(F)F)C4=O)CC3)nc2)c1,QCYSZHPSQDOMRX-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:4:218655:223520,COc1cc(=O)n(C)cc1C(=O)N1CCC(COc2ncc(-c3ccc(C(C)N4CCN(C(=O)OC(C)(C)C)CC4)cc3)cn2)CC1,XAYMSRWERJZWDX-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:4:218676:226844,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:4:218684:223279,CC(C)(C)OC(=O)N1CCN(c2nc(-c3cccc(-c4cnc(C5CCCN5)nc4)c3)ccc2C#N)CC1,DEXQOEHJBDTZPK-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:4:218698:223279,O=C(C1CC(=O)N(c2ccc(-c3cnc(C4CCCN4)nc3)cc2)C1)N1CCN(CCc2ccncc2)CC1,YGVIGWWIGDCNTE-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:4:218706:223279,Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCn3nc(C)c(-c4cnc(C5CCCN5)nc4)c3C)CC2)cc1C,YCRVAMBFHSWFHV-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:4:218711:223179,CONC(=O)c1cc(-c2cc([N+](=O)[O-])ccc2N2CCC(N3CCN(C(=O)OC(C)(C)C)CC3)CC2)ccc1F,BCCGSBYCLDUICZ-UHFFFAOYSA-N
-rxn:4:218711:223279,CC(C)(C)OC(=O)N1CCN(C2CCN(c3ccc([N+](=O)[O-])cc3-c3cnc(C4CCCN4)nc3)CC2)CC1,PPXLWQHTMSOVAJ-UHFFFAOYSA-N
-rxn:4:218711:223529,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cc([N+](=O)[O-])ccc3N3CCC(N4CCN(C(=O)OC(C)(C)C)CC4)CC3)cc2F)CC1,DQMGRPLEDUUSDV-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:4:218768:226844,COc1ccc(CCC(=O)N2Cc3cnc(N4CCOCC4)nc3C2)cc1-c1ccnc(C(=O)C(F)(F)F)c1,VAYDONKLQWCWLI-UHFFFAOYSA-N
-rxn:4:218769:223279,O=C(CN1CCN(C(=O)Cn2ccc3cc(-c4cnc(C5CCCN5)nc4)ccc32)CC1)N1CCCC1,QMTLNVRNTXVGRJ-UHFFFAOYSA-N
-rxn:4:218769:228624,CSc1cc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCCC4)CC3)c2)ccc1C,XDZFZDRNSFQBAN-UHFFFAOYSA-N
-rxn:4:218772:223279,O=C(CN1CCN(C(=O)Cn2ccc3cc(-c4cnc(C5CCCN5)nc4)ccc32)CC1)N1CCOCC1,KBGGTNPAFMQXQU-UHFFFAOYSA-N
-rxn:4:218775:223179,CONC(=O)c1cc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCCCCC4)CC3)c2)ccc1F,HAIXMTUJDXZACD-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:4:218778:223636,Cc1cc(Cn2c(N3CC4(CN(C(=O)OC(C)(C)C)C4)C3)nc3c(-c4ccc(C5CCCN(C(=O)OC(C)(C)C)C5)cc4)cc(Cl)cc32)cc(C)c1F,OHGGELARCWWKCJ-UHFFFAOYSA-N
-rxn:4:218781:223577,CC(C)CCn1c(=O)c2sccc2n2c(SCc3ccc(-c4ccc(OC5CCN(C(=O)OC(C)(C)C)CC5)cc4)cc3)nnc12,WMNBBDVPZAJPRY-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:4:218867:226844,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:4:218867:227390,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3ccnn3C3CCCCC3)c2)no1,MAPLYSHOFXTAJQ-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:4:218948:226844,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ncc(-c3ccnc(C(=O)C(F)(F)F)c3)cn2)CC1,VOWTVMZGJUQXCK-UHFFFAOYSA-N
-rxn:4:218964:223279,CC(=O)N1CCC(C(=O)N2CC(Cn3cc(-c4cnc(C5CCCN5)nc4)cn3)C2)CC1,FJXBNLKLAZJLDH-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:4:218977:226844,O=C(c1ccc(N2C(=O)CCC2=O)cc1)N1CC(Cn2cc(-c3ccnc(C(=O)C(F)(F)F)c3)cn2)C1,SKALTVPDMWTPIT-UHFFFAOYSA-N
-rxn:4:218982:226844,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:4:218983:226844,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:4:218991:226844,Cn1cc(-c2ccnc(C(=O)C(F)(F)F)c2)c(CN2CCN(C(=O)OC(C)(C)C)CC2)n1,BCSCUGPOWKEJKG-UHFFFAOYSA-N
-rxn:4:218999:223532,C[C@H]1CN(C(=O)OC(C)(C)C)CCN1c1ncc(-c2cc(F)cc(CN3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1C#N,QMBULWARVNKCDC-QFIPXVFZSA-N
-rxn:4:218999:226865,C[C@H]1CN(C(=O)OC(C)(C)C)CCN1c1ncc(-c2ccc(Cl)c(OC(F)(F)F)c2)cc1C#N,NMMCANVKPKCCHX-AWEZNQCLSA-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:4:219011:223659,CN(c1cnc(-c2cnn(CC3CCN(C(=O)OC(C)(C)C)CC3)c2)cn1)C1CCN(C(=O)OC(C)(C)C)CC1,CPORTHVGJWDQCM-UHFFFAOYSA-N
-rxn:4:219011:224269,CN(c1cnc(-c2cn(C(=O)OC(C)(C)C)c3cnccc23)cn1)C1CCN(C(=O)OC(C)(C)C)CC1,LBCBVNQOZVLGMO-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:4:219028:226844,CC1CN(C(=O)c2cnn(C)c2-c2ccnc(C(=O)C(F)(F)F)c2)CCN1C(=O)OC(C)(C)C,VUYCHZZGRAIQEQ-UHFFFAOYSA-N
-rxn:4:219029:226844,CC1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1cnn(C)c1-c1ccnc(C(=O)C(F)(F)F)c1,JYKXJRPBTVOEBS-UHFFFAOYSA-N
-rxn:4:219035:222426,CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)Nc1ccc(-c3cncc(C(=O)N4CCN(Cc5csc(-c6ccccc6)n5)CC4)c3)cc12,HSYXRQUVHVBIBY-UHFFFAOYSA-N
-rxn:4:219042:223179,CONC(=O)c1cc(-c2cn(C)nc2CN2CCN(C(=O)OC(C)(C)C)CC2C)ccc1F,UJTJPEWYTSFPGI-UHFFFAOYSA-N
-rxn:4:219042:226844,CC1CN(C(=O)OC(C)(C)C)CCN1Cc1nn(C)cc1-c1ccnc(C(=O)C(F)(F)F)c1,DQQFQXGWEXAGIS-UHFFFAOYSA-N
-rxn:4:219043:223179,CONC(=O)c1cc(-c2cn(C)nc2CN2CCN(C(=O)OC(C)(C)C)C(C)C2)ccc1F,GDVMLQHCFQJUOG-UHFFFAOYSA-N
-rxn:4:219048:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCC(N(c5ccncn5)C5CC5)CC4)cc3)cc2)CC1,ZAOOBMPBFPGYHM-UHFFFAOYSA-N
-rxn:4:219048:225947,CN1CCN(c2ncc(-c3ccc(S(=O)(=O)N4CCC(N(c5ccncn5)C5CC5)CC4)cc3)cn2)CC1,VDPXJXHAXWIWSW-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:4:219067:226844,O=C(C1CC(=O)N(c2cccc(-c3ccnc(C(=O)C(F)(F)F)c3)c2)C1)N1CCC(Cn2ccnc2)CC1,WKPCIJKCVVLNTL-UHFFFAOYSA-N
-rxn:4:219072:223279,O=C(Cc1nnc(-c2cccc(-c3cnc(C4CCCN4)nc3)c2)o1)N1CCN(C2CCCCC2)CC1,FENJOGREJPTJAJ-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:4:219073:223279,O=C(c1ccc(-c2cnc(C3CCCN3)nc2)cc1)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCC3)c2)CC1,ARHZYHVEFUYOLI-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:4:219079:222699,Cc1cccc(CC(=O)N2CCCN(c3cc(-c4ccc(-c5ccc(C6CCCNC6)c(C(F)(F)F)c5)cc4)n[nH]3)CC2)c1,PYJUKHAJBJKMOG-UHFFFAOYSA-N
-rxn:4:219155:223977,Cc1cnc(OCC23CCCC2CN(C(=O)c2cncc(-c4cc(C(F)(F)F)ccc4C(=O)OC(C)(C)C)c2)C3)nc1,GQLNDXMTQBSJLV-UHFFFAOYSA-N
-rxn:4:219174:226844,O=C(CCc1ccccc1-c1ccnc(C(=O)C(F)(F)F)c1)N1CCCc2cnc(N3CCOCC3)nc21,AOBAEZVXOXCIOI-UHFFFAOYSA-N
-rxn:4:219182:226844,COc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)c(C(=O)N2CCN(C(=O)c3cc4n(n3)CCCC4)CC2)c1,OHOBHHUGSPGPPS-UHFFFAOYSA-N
-rxn:4:219184:226844,CCCN1CCN(C(=O)c2cc3n(n2)CC(c2ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc2)OC3)CC1,JZDGHZWQORQGGO-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:4:219281:223179,CONC(=O)c1cc(-c2c(C(=O)N3CCN(CC(F)(F)F)CC3)cnn2C)ccc1F,APNVJVSWJMFMQQ-UHFFFAOYSA-N
-rxn:4:219312:223694,CCN1CCN(S(=O)(=O)c2cc(-c3cnc(OCC4CCCN(c5nccs5)C4)nc3)c(F)cc2C)CC1,WLHVXCKDCZLUAU-UHFFFAOYSA-N
-rxn:4:219353:224056,CCC[C@H]1CC[C@H](c2ccc(-c3cnc(OC4CCN(S(=O)(=O)N(C)C)CC4)nc3)c(F)c2)CC1,UOVSWEKDVQZCGX-MXVIHJGJSA-N
-rxn:4:219353:224423,CCC[C@H]1CC[C@H](c2ccc(-c3cnc(OC4CCN(S(=O)(=O)N(C)C)CC4)nc3)cc2)CC1,UJKMIDOAIQNEIB-MEMLXQNLSA-N
-rxn:4:219353:224848,CC[C@H]1CC[C@H](c2ccc(-c3cnc(OC4CCN(S(=O)(=O)N(C)C)CC4)nc3)cc2)CC1,MARVZDAYDMPOGH-MXVIHJGJSA-N
-rxn:4:219353:225825,CN1CCN(c2ccc(-c3cnc(OC4CCN(S(=O)(=O)N(C)C)CC4)nc3)cn2)CC1,VADLIRWUYADHCF-UHFFFAOYSA-N
-rxn:4:219353:226428,CC1CCCCN1c1csc(-c2cnc(OC3CCN(S(=O)(=O)N(C)C)CC3)nc2)c1,DPVYCQWUQPIGJE-UHFFFAOYSA-N
-rxn:4:219354:225984,CN(C1CCN(c2ncc(-c3cnc(Cl)c(N4CCOCC4)c3)cn2)C1)S(=O)(=O)C1CC1,FMOWOGOAEGVTBI-UHFFFAOYSA-N
-rxn:4:219388:225125,O=C(c1ccc(-c2cc(F)ccc2OCC2CCOC2)o1)N1CCCN(S(=O)(=O)c2c[nH]cn2)CC1,XQCNKRFUHYXBEH-UHFFFAOYSA-N
-rxn:4:219401:223179,CONC(=O)c1cc(-c2nnc(N3CCCN(C(=O)OC(C)(C)C)CC3)s2)ccc1F,ZOECQSGWADFYQR-UHFFFAOYSA-N
-rxn:4:219407:224371,COC(=O)C1CCN(c2ncc(-c3cnc(N4CCN(C(=O)OC(C)(C)C)CC4)nc3)cn2)CC1,AYBWZRCQPNQUIV-UHFFFAOYSA-N
-rxn:4:219410:222944,O=S(=O)(NC1CC1)c1ccc(-c2cnc(OC3CCN(S(=O)(=O)N4CCOCC4)C3)nc2)c(F)c1,RGTPFOSHVABUEM-UHFFFAOYSA-N
-rxn:4:219410:223179,CONC(=O)c1cc(-c2cnc(OC3CCN(S(=O)(=O)N4CCOCC4)C3)nc2)ccc1F,XPSBTUCEYHDFQA-UHFFFAOYSA-N
-rxn:4:219410:223288,CNS(=O)(=O)c1cccc(-c2cnc(OC3CCN(S(=O)(=O)N4CCOCC4)C3)nc2)c1,DOQNTTUNCARJIP-UHFFFAOYSA-N
-rxn:4:219410:227779,O=[N+]([O-])c1cc(F)c(F)c(-c2cnc(OC3CCN(S(=O)(=O)N4CCOCC4)C3)nc2)c1,WSPMQNOCNKMHRJ-UHFFFAOYSA-N
-rxn:4:219410:227794,O=[N+]([O-])c1cc(Cl)c(F)c(-c2cnc(OC3CCN(S(=O)(=O)N4CCOCC4)C3)nc2)c1,CAZFWLSNTXUDCM-UHFFFAOYSA-N
-rxn:4:219413:223834,CSc1nc(C)cc(N2CCC(Oc3ccncc3-c3cc(C)c(S(=O)(=O)N4CCN(C)CC4)c(C)c3)C2)n1,BGHTVHGHTKAOBN-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:4:219456:224712,CC(=O)OC(OC(C)=O)c1ccc(-c2cnn(C3CCN(C(=O)OC(C)(C)C)CC3C)n2)cc1,WJFBRMRKTXSJRL-UHFFFAOYSA-N
-rxn:4:219463:223699,Cc1cc(OCC2CCN(c3ncc(-c4ccc(S(=O)(=O)N5CCOCC5)cc4C(F)(F)F)cn3)CC2)ccn1,MRQGLKUKTDYUNK-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:4:219534:225341,CCOc1ccc(OC(F)(F)F)c(-c2cncc(C(=O)N3CCC(n4nc(C5CC5)ccc4=O)CC3)c2)c1,KUXFRIKMHCUYFS-UHFFFAOYSA-N
-rxn:4:219535:225328,CCCSc1ncc(C(F)(F)F)cc1-c1ccccc1C(=O)N1CCCN(S(=O)(=O)c2cnn(C)c2)CC1,KDFGMJYBEUXCEY-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:4:219565:222985,Cc1cc(C)c(C#N)c(N2CCCN(S(=O)(=O)c3ccc(-c4ccc(C5CCCNC5)nc4C)cc3)CC2)n1,VLHXPJSXRUZFEW-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:4:219759:223179,CCN1CCN(C(=O)c2cc3n(n2)CC(c2ccc(-c4ccc(F)c(C(=O)NOC)c4)cc2)OC3)CC1,YSYJHLUOIBWXBG-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:4:219766:224257,CC1CCCCN1C(=O)c1ccc(Cl)c(-c2cncc(C(=O)N3CCC(Cn4nc5c(cc4=O)CCCC5)CC3)c2)c1,REKJKZKPAVUBDG-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:4:219780:223279,CC(=O)N1CCc2c(c(N3CCCc4cc(-c5cnc(C6CCCN6)nc5)c(C(F)F)cc43)nn2C2CCOCC2)C1,SKVRNJADYKBCPR-UHFFFAOYSA-N
-rxn:4:219908:222694,CN1CCCN(c2oc(-c3ccc(-c4cccc(S(=O)(=O)NC5CCCCC5)c4)o3)nc2C#N)CC1,GBEGAAKWAPQOLP-UHFFFAOYSA-N
-rxn:4:219908:223838,CN1CCCN(c2oc(-c3ccc(-c4ccc(N5CCN(S(=O)(=O)N(C)C)CC5)cc4)o3)nc2C#N)CC1,ZONIQQYULHHKRK-UHFFFAOYSA-N
-rxn:4:219991:227476,CCOC(=O)c1ccc(-c2cncc(C(=O)N3CCC(N4CC(=O)N(C)C4=O)CC3)c2)cn1,RREGQXWGSIIAQQ-UHFFFAOYSA-N
-rxn:4:220162:223179,CONC(=O)c1cc(-c2cnc(SC)nc2N2CC(N3CC4CCCC4C3)C2)ccc1F,BCKVCPXSGPOFPF-UHFFFAOYSA-N
-rxn:4:220162:226844,CSc1ncc(-c2ccnc(C(=O)C(F)(F)F)c2)c(N2CC(N3CC4CCCC4C3)C2)n1,NXQPSQPJMXZYPF-UHFFFAOYSA-N
-rxn:4:220415:223523,CCN1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCN(C5CCC5)CC4)nc3)c3ccccc23)CC1,AMMQHNTWGLCUKJ-UHFFFAOYSA-N
-rxn:4:220429:224022,c1cc(C23CC4CC(CC(C4)C2)C3)ccc1-c1cnc(N2CCCN(C3CCOC3)CC2)nc1,SKNXKZVSPPQHRZ-UHFFFAOYSA-N
-rxn:4:220531:223534,CC(C)(C)OC(=O)N1CCC(Oc2cc(-c3cnc(N4CCC(c5noc6cc(F)ccc56)CC4)nc3)c(F)cn2)CC1,SSLKLEUSEPNKAT-UHFFFAOYSA-N
-rxn:4:220531:223593,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(N4CCC(c5noc6cc(F)ccc56)CC4)nc3)cc2Cl)CC1,NTYQHUCMYCVBDW-UHFFFAOYSA-N
-rxn:4:220531:223595,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(N4CCC(c5noc6cc(F)ccc56)CC4)nc3)cc2F)CC1,YVZCGFDJIHIYJW-UHFFFAOYSA-N
-rxn:4:220546:222538,c1nc2c(c(N3CCN(c4ccc(-c5cc(C6CCCC6)nc(C6CCNCC6)c5)cc4)CC3)n1)CCC2,SHXHVJVEPHZMIV-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:4:221110:223279,CN1CCN(CC#CCOC2CCN(c3ncc(-c4cnc(C5CCCN5)nc4)cn3)CC2)CC1,SHWCTJAYIFWNDR-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:4:221112:223279,CCOc1ccc(-c2cnc(C3CCCN3)nc2)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N(C)C)n2)CC1,GRNIXFHWLDNJPG-UHFFFAOYSA-N
-rxn:4:221113:223179,CONC(=O)c1cc(-c2ccccc2CC(=O)N2CCN(Cc3nncn3C3CCCCC3)CC2)ccc1F,IEJUJIVBPKJEDZ-UHFFFAOYSA-N
-rxn:4:221114:223279,CCOc1ccc(-c2cnc(C3CCCN3)nc2)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N3CCCC3)n2)CC1,CGQWQMCPMPWTRR-UHFFFAOYSA-N
-rxn:4:221115:223179,CCOc1ccc(-c2ccc(F)c(C(=O)NOC)c2)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N3CCOCC3)n2)CC1,MAYQNAUCDUEZNJ-UHFFFAOYSA-N
-rxn:4:221115:223279,CCOc1ccc(-c2cnc(C3CCCN3)nc2)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N3CCOCC3)n2)CC1,DWQHRSGETZQDMA-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:4:221116:223279,CCOc1ccc(-c2cnc(C3CCCN3)nc2)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N3CCCCC3)n2)CC1,TZUWNYFJJOBTCE-UHFFFAOYSA-N
-rxn:4:221121:223279,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cnc(C6CCCN6)nc5)ccc43)CC2)CC1,AOJHGYWZSSQTTP-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:4:221128:223179,CCOC(=O)C1CCCN(c2nc3c(S(=O)(=O)c4ccc(-c5ccc(F)c(C(=O)NOC)c5)cc4)nnn3c3ccccc23)C1,TYQNPZQDEOHINU-UHFFFAOYSA-N
-rxn:4:221151:222723,O=C(c1cnccn1)N1CCCC(COc2ncc(-c3cccc(NS(=O)(=O)N4CCOCC4)c3)cn2)C1,HFPPHUTXZDELEF-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:4:221193:223279,CN1CCN(C(=O)N2CCCC(COc3ncc(-c4cnc(C5CCCN5)nc4)cn3)C2)CC1,DVPSRLIHYJOYJZ-UHFFFAOYSA-N
-rxn:4:221203:223179,CONC(=O)c1cc(-c2ccc(CCN3CCN(c4ccc(N5CCOCC5)nn4)CC3)cc2)ccc1F,YINBFFQHPVMANI-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:4:221205:223929,CC(C)(C)OC(=O)N1CCc2cc(-c3ccc(CCN4CCN(c5ccnc(N6CCOCC6)n5)CC4)cc3)cnc2C1,IKPNWOBURPIMHN-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:4:221207:223279,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:4:221208:223179,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:4:221209:223279,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4cnc(C5CCCN5)nc4)cc3)CC2)n1,UGVQEXINNVHMCT-UHFFFAOYSA-N
-rxn:4:221249:223650,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc4c(-c5ccccc5N5CCN(C(=O)OC(C)(C)C)CC5)cnn4c3)cc2)CC1,UEJKRUHEYXDSNK-UHFFFAOYSA-N
-rxn:4:221249:225977,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc4c(-c5cc(Cl)cnc5N5CCOCC5)cnn4c3)cc2)CC1,XGKBMBKEHXYVPS-UHFFFAOYSA-N
-rxn:4:221249:225979,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc4c(-c5cnc(N6CCOCC6)c(Cl)c5)cnn4c3)cc2)CC1,VLUNLVHEAIUBDN-UHFFFAOYSA-N
-rxn:4:221310:223694,CCN1CCN(S(=O)(=O)c2cc(-c3cnc(OCC4CCCN(c5nncs5)C4)nc3)c(F)cc2C)CC1,BQTFJLBLUSINEL-UHFFFAOYSA-N
-rxn:4:221341:223754,CC1CCN(CCCOc2ccc(-c3cnc(OCC4CCCN(c5cnccn5)C4)nc3)cc2Cl)CC1,VSOHRANDBOYHGU-UHFFFAOYSA-N
-rxn:4:221346:223530,CC(C)(C)OC(=O)N1CCN(Cc2ccc(F)cc2-c2cnc(OCC3CCCN(c4ncncc4F)C3)nc2)CC1,IMTMCPCUAWOLOX-UHFFFAOYSA-N
-rxn:4:221394:222723,O=c1ccc(C2CC2)nn1CC1CCN(c2ncc(-c3cccc(NS(=O)(=O)N4CCOCC4)c3)cn2)CC1,PZXOMYLFWBOJAN-UHFFFAOYSA-N
-rxn:4:221394:223845,CN1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2cnc(N3CCC(Cn4nc(C5CC5)ccc4=O)CC3)nc2)CC1,NZRFKCBIWQPZMK-UHFFFAOYSA-N
-rxn:4:221398:223179,CONC(=O)c1cc(-c2cnc(OC3CCN(C(=O)N4CCN(C)CC4)CC3)nc2)ccc1F,MHPCWRBPNWWXAM-UHFFFAOYSA-N
-rxn:4:221398:226844,CN1CCN(C(=O)N2CCC(Oc3ncc(-c4ccnc(C(=O)C(F)(F)F)c4)cn3)CC2)CC1,LYAQWKQQAOJSPC-UHFFFAOYSA-N
-rxn:4:221401:222465,CN(C)c1ccnc(N2CCN(Cc3cccc(-c4cc(C5CCCCC5)nc(C5CCCNC5)c4)c3)CC2)n1,PXXJWLZFHYFOQL-UHFFFAOYSA-N
-rxn:4:221404:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cccc(CN2CCN(c3ccnc(N(C)C)n3)CC2)c1,DYPFILZEXUEQLA-UHFFFAOYSA-N
-rxn:4:221404:224168,CCN(C(=O)OC(C)(C)C)c1cccc(-c2cccc(CN3CCN(c4ccnc(N(C)C)n4)CC3)c2)c1,VIAMCBXTNPAXLC-UHFFFAOYSA-N
-rxn:4:221419:223683,CC(C)(C)OC(=O)N1CCC(Oc2ncc(-c3cnc(N4CCC(Cn5nc(C(C)(C)C)ccc5=O)CC4)nc3)cn2)C1,RERCIHZVVWSJFX-UHFFFAOYSA-N
-rxn:4:221420:226713,COCCOc1cc(-c2ccccc2C(=O)N2CCN(c3ccc(N4CCOCC4)nn3)CC2)c(F)cn1,GXFFBSOOAQDSHY-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:4:221431:223179,CONC(=O)c1cc(-c2ccccc2C(=O)N2CCN(c3nc(C)cc(N4CCCC4)n3)CC2)ccc1F,DMOICVJVASMBIQ-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:4:221436:223179,CONC(=O)c1cc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCCCC5)nn4)CC3)cc2)ccc1F,MDNCZLICFYVPID-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:4:221437:223279,O=C(c1ccc(-c2cnc(C3CCCN3)nc2)o1)N1CCN(c2ccc(N3CCCCCC3)nn2)CC1,JECNSBUIJMOFHE-UHFFFAOYSA-N
-rxn:4:221439:223255,CONC(=O)c1cccc(-c2ccc(Cl)c(C(=O)N3CCN(c4ccc(N5CCCCC5)nn4)CC3)c2)c1,MNCNNSSZRXJSNC-UHFFFAOYSA-N
-rxn:4:221439:223279,O=C(c1cc(-c2cnc(C3CCCN3)nc2)ccc1Cl)N1CCN(c2ccc(N3CCCCC3)nn2)CC1,AMMWMVJQVUGQDC-UHFFFAOYSA-N
-rxn:4:221440:223279,Cc1cc(N2CCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cnc(C5CCCN5)nc4)cc3)CC2)n1,NHVUQHAZQFXNEM-UHFFFAOYSA-N
-rxn:4:221440:223506,Cc1cc(N2CCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccc(S(=O)(=O)N5CCN(C(=O)OC(C)(C)C)CC5)c4)cc3)CC2)n1,DZTKKFBRBRQXPO-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:4:221446:226844,Cc1cc(N2CCOCC2)nc(N2CCN(Cc3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3)CC2)n1,HREKFSSOUQTTHN-UHFFFAOYSA-N
-rxn:4:221447:223179,CONC(=O)c1cc(-c2ccc(CN3CCN(c4cc(C)nc(N5CCOCC5)n4)CC3)cc2)ccc1F,BVKLAZYNGODGTG-UHFFFAOYSA-N
-rxn:4:221447:225877,Cc1cc(N2CCN(Cc3ccc(-c4ccc(Cl)cc4N4CCOCC4)cc3)CC2)nc(N2CCOCC2)n1,YQSDEQMWYMZQQU-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:4:221449:223179,CONC(=O)c1cc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)ccc1F,HRXMOOVAQOSDSA-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:4:221453:223279,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4cnc(C5CCCN5)nc4)cc3)CC2)n1,GOUFQSKRHWCCOJ-UHFFFAOYSA-N
-rxn:4:221453:223834,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4cc(C)c(S(=O)(=O)N5CCN(C)CC5)c(C)c4)cc3)CC2)n1,XIOQDAMKYUOYKV-UHFFFAOYSA-N
-rxn:4:221453:226010,COc1ccc(OC(F)(F)F)cc1-c1ccc(C(=O)N2CCN(c3nc(C)cc(N4CCCCC4)n3)CC2)cc1,ZAQBCZYWNZVLGU-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:4:221456:223179,CONC(=O)c1cc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)ccc1F,FIFLGCPSCZLABF-UHFFFAOYSA-N
-rxn:4:221456:223279,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cnc(C5CCCN5)nc4)cc3)CC2)n1,YMQJKCMGOSOPEA-UHFFFAOYSA-N
-rxn:4:221456:226844,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3)CC2)n1,AFKHFCNLWDAMFM-UHFFFAOYSA-N
-rxn:4:221491:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CC5CCCC5(COc5ncc(F)cn5)C4)nc3)cc2)CC1,HECZXAUKARJDBP-UHFFFAOYSA-N
-rxn:4:221498:224277,CC(C)(C)OC(=O)N1CCN(c2ncnc3[nH]cc(-c4ccnc5c4ccn5C(=O)OC(C)(C)C)c23)CC1,VVPRTFMCIUZNGI-UHFFFAOYSA-N
-rxn:4:221526:223831,COc1ccc(-c2ccccc2-c2nnc3sc(-c4cccc(S(=O)(=O)N5CCCCC5)c4)nn23)cc1S(=O)(=O)N1CCC(C)CC1,NMNMVAOKDJSVFV-UHFFFAOYSA-N
-rxn:4:221585:223536,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cnn(CC4CN(c5ncccn5)C4)c3)cc(F)c2F)CC1,NAOMSGUNKRTHBH-UHFFFAOYSA-N
-rxn:4:221589:223529,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cnc(N4CC(Cn5cc(Cl)cn5)C4)nc3)cc2F)CC1,NWOJGJRHQQDPAS-UHFFFAOYSA-N
-rxn:4:221589:223531,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cnc(N4CC(Cn5cc(Cl)cn5)C4)nc3)cc2Cl)CC1,ZYYSIDHRFHJAIS-UHFFFAOYSA-N
-rxn:4:221640:223970,Cc1cc(C)nc(N2CCC(Oc3ncc(-c4ccc(C)c(S(=O)(=O)N5CCC(C)CC5)c4)cn3)CC2)n1,OHJCLVHIHHJZGV-UHFFFAOYSA-N
-rxn:4:221641:222723,O=c1ccc(C2CC2)nn1C1CCN(c2ncc(-c3cccc(NS(=O)(=O)N4CCOCC4)c3)cn2)CC1,ZLQFLXGORFMSFK-UHFFFAOYSA-N
-rxn:4:221723:223670,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2cnc(N3CCC(Cn4nc5c(cc4=O)CCC5)CC3)nc2)CC1,IADQCGWUQIJIDZ-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:4:221836:224848,CC[C@H]1CC[C@H](c2ccc(-c3cnc(N4CCCN(C5=NS(=O)(=O)c6ccccc65)CC4)nc3)cc2)CC1,JREORGJWNPTMJS-YHBQERECSA-N
-rxn:4:221836:224968,Cc1ccc(OCC2CCCO2)c(-c2cnc(N3CCCN(C4=NS(=O)(=O)c5ccccc54)CC3)nc2)c1,PCYDQHCSNGSETO-UHFFFAOYSA-N
-rxn:4:221836:225047,Cc1cc(-c2cnc(N3CCCN(C4=NS(=O)(=O)c5ccccc54)CC3)nc2)cnc1N1CCC(C)CC1,CGBKJXJCCAQETO-UHFFFAOYSA-N
-rxn:4:221836:225098,O=S1(=O)N=C(N2CCCN(c3ncc(-c4ccc(OCCN5CCCC5)nc4)cn3)CC2)c2ccccc21,MWMLCEDEMBKSAO-UHFFFAOYSA-N
-rxn:4:221836:225186,O=S1(=O)N=C(N2CCCN(c3ncc(-c4ccc(F)c(CN5CCSCC5)c4)cn3)CC2)c2ccccc21,GSIWVBSOACSCHJ-UHFFFAOYSA-N
-rxn:4:221836:225312,CN1CCCN(c2ncc(-c3cnc(N4CCCN(C5=NS(=O)(=O)c6ccccc65)CC4)nc3)cn2)CC1,JJVSEKRRUNPWHN-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:4:221927:223179,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:4:221935:223999,CC1CCN(S(=O)(=O)c2ccc(F)c(-c3cnc(OCC4CCCN(c5nccnc5C#N)C4)nc3)c2)CC1,OQLLDAXWTDFZCY-UHFFFAOYSA-N
-rxn:4:221965:223179,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(F)c(C(=O)NOC)c5)cc4)CC3)nn2)CC1,JQWSMHHQPINLAJ-UHFFFAOYSA-N
-rxn:4:221965:223279,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cnc(C6CCCN6)nc5)cc4)CC3)nn2)CC1,GSFBNPIHIAUIJL-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:4:221982:226844,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:4:221983:223179,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:4:221983:223279,Cc1cc(C)n2c(-c3cnc(C4CCCN4)nc3)c(CN3CCN(c4ccc(C(F)(F)F)cc4[N+](=O)[O-])CC3)nc2n1,MRXZGLVQOMQWKL-UHFFFAOYSA-N
-rxn:4:221986:223179,CCN1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(-c3ccc(F)c(C(=O)NOC)c3)cc2)CC1,HSHSPLOOLKMINJ-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:4:222032:222982,CN(C)c1nccc(N2CCN(c3ncc(-c4ccc(CN5CC[C@@H](O)C5)cc4)cc3C(F)(F)F)CC2)n1,LEGSDYRVJYJBLK-JOCHJYFZSA-N
-rxn:4:222046:222538,CCc1c(C)nc(C2CC2)nc1N1CCN(c2ncc(-c3cc(C4CCCC4)nc(C4CCNCC4)c3)cn2)CC1,PZWYLYJLWITUEB-UHFFFAOYSA-N
-rxn:4:222054:223279,CN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cnc(C6CCCN6)nc5)o4)CC3)nn2)CC1,KODBBDMHDHXCQJ-UHFFFAOYSA-N
-rxn:4:222054:226844,CN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccnc(C(=O)C(F)(F)F)c5)o4)CC3)nn2)CC1,KWVPAFSCTBSYEJ-UHFFFAOYSA-N
-rxn:4:222060:224891,Cc1nn(-c2ccc(N3CCN(S(=O)(=O)c4ccc(-c5cc(N6CCCC6)ccc5C5CC5)cc4)CC3)nn2)c(C)c1C,FZTNZJJTYRVGKX-UHFFFAOYSA-N
-rxn:4:222062:222835,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(CNC(=O)CC(C)C)cc4)cc3)CC2)n1,ZUTNCSGRULKAQF-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:4:222062:223279,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cnc(C5CCCN5)nc4)cc3)CC2)n1,SOINMPMARLJFAF-UHFFFAOYSA-N
-rxn:4:222062:226844,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3)CC2)n1,LEWQXGANWJQEJF-UHFFFAOYSA-N
-rxn:4:222062:227126,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C5CCOC5)cc4)cc3)CC2)n1,MSRNBIJMDSGEDC-UHFFFAOYSA-N
-rxn:4:222062:228541,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc5c(c4)COC5)cc3)CC2)n1,BDAODTOHHGWPNN-UHFFFAOYSA-N
-rxn:4:222077:223536,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cnc(OCC4CCCN(c5nccn6nccc56)C4)nc3)cc(F)c2F)CC1,NIDDOHUPZWCOSJ-UHFFFAOYSA-N
-rxn:4:222077:223694,CCN1CCN(S(=O)(=O)c2cc(-c3cnc(OCC4CCCN(c5nccn6nccc56)C4)nc3)c(F)cc2C)CC1,ZMDCDOATHOEOSQ-UHFFFAOYSA-N
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-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:4:222213:223575,CC(C)(C)OC(=O)N1CCN(Cc2ccccc2-c2cnc(N3CCN(c4ncc(F)cn4)CC3)nc2)CC1,FMCXUJWCSXGFMJ-UHFFFAOYSA-N
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-rxn:4:222331:222852,OC1CCN(Cc2cccc(-c3cnc(N4CCN(c5nccc(N6CCOCC6)n5)CC4)nc3)c2)CC1,YGTSIDIKVSFUIB-UHFFFAOYSA-N
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-rxn:4:222630:187346,O=C(c1ccccc1)N(c1ccc(-c2cc(C3CCC3)nc(C3CCNCC3)c2)cc1)C1C=CS(=O)(=O)C1,QRQWUOUNJHSHIC-UHFFFAOYSA-N
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-rxn:4:223570:174132,COC(=O)C(Oc1ccc(-c2c(F)ncc3c2ccn3[Si](C(C)C)(C(C)C)C(C)C)cc1)C(C)C,KCEIRXIGEVKTIE-UHFFFAOYSA-N
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-rxn:5:178117:222989:227710,Cc1cc(N2CCNCC2)ccc1-c1ccc(-c2ccc(OS(C)(=O)=O)cc2)c(OCC2CCOCC2)c1,UAGJFDIOBZQWOJ-UHFFFAOYSA-N
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-rxn:5:178118:222956:227710,Cc1ccc(-c2ccc(-c3ccc(OS(C)(=O)=O)cc3)cc2OCC2CCCCO2)c(C2CCCNC2)c1,DDDQISCBPSDHJT-UHFFFAOYSA-N
-rxn:5:178118:222957:227710,Cc1cc(-c2ccc(-c3ccc(OS(C)(=O)=O)cc3)cc2OCC2CCCCO2)cc(C2CCCNC2)c1,YGYZBBPRXXOVBU-UHFFFAOYSA-N
-rxn:5:178118:222958:227710,Cc1ccc(-c2ccc(-c3ccc(OS(C)(=O)=O)cc3)cc2OCC2CCCCO2)cc1C1CCNCC1,LULVEAFRYOHCMB-UHFFFAOYSA-N
-rxn:5:178118:222959:227710,Cc1cc(-c2ccc(-c3ccc(OS(C)(=O)=O)cc3)cc2OCC2CCCCO2)ccc1C1CCNCC1,UZMFKYRKXSOCJP-UHFFFAOYSA-N
-rxn:5:178118:222985:227710,Cc1nc(C2CCCNC2)ccc1-c1ccc(-c2ccc(OS(C)(=O)=O)cc2)cc1OCC1CCCCO1,UCUQKKQIVHMMIV-UHFFFAOYSA-N
-rxn:5:178118:222986:227710,Cc1cc(-c2ccc(-c3ccc(OS(C)(=O)=O)cc3)cc2OCC2CCCCO2)cc(C2CCCNC2)n1,DVFOEYDBBWJGIE-UHFFFAOYSA-N
-rxn:5:178118:222987:227710,Cc1nc(C2CCNCC2)ccc1-c1ccc(-c2ccc(OS(C)(=O)=O)cc2)cc1OCC1CCCCO1,WJLFFVNOIAGHSD-UHFFFAOYSA-N
-rxn:5:178118:222988:227710,Cc1cc(-c2ccc(-c3ccc(OS(C)(=O)=O)cc3)cc2OCC2CCCCO2)cc(C2CCNCC2)n1,RGYWQSINAUGPLH-UHFFFAOYSA-N
-rxn:5:178118:222989:227710,Cc1cc(N2CCNCC2)ccc1-c1ccc(-c2ccc(OS(C)(=O)=O)cc2)cc1OCC1CCCCO1,OVPKUZTUPGOQQN-UHFFFAOYSA-N
-rxn:5:178118:225683:227710,Cc1nc(C2CCCOC2)ccc1-c1ccc(-c2ccc(OS(C)(=O)=O)cc2)cc1OCC1CCCCO1,NKOFQGXMEMNGQP-UHFFFAOYSA-N
-rxn:5:178120:222989:227710,Cc1cc(N2CCNCC2)ccc1-c1cccc(OCC2CCOCC2)c1-c1ccc(OS(C)(=O)=O)cc1,AHIHAENNDVZGRU-UHFFFAOYSA-N
-rxn:5:178224:222987:227710,Cc1nc(C2CCNCC2)ccc1-c1cc(OCC2CCCCC2)cc(-c2ccc(OS(C)(=O)=O)cc2)c1,KLNPKPMBSJDMTA-UHFFFAOYSA-N
-rxn:5:178225:222958:227710,Cc1ccc(-c2cccc(OCC3CCCCC3)c2-c2ccc(OS(C)(=O)=O)cc2)cc1C1CCNCC1,GYVBTXWSMXMHPQ-UHFFFAOYSA-N
-rxn:5:178226:222987:227710,Cc1nc(C2CCNCC2)ccc1-c1c(OCC2CCCCC2)cccc1-c1ccc(OS(C)(=O)=O)cc1,RMDKYLWIKNJAOD-UHFFFAOYSA-N
-rxn:5:178295:225938:223243,COC(=O)C1(c2cc(-c3cc4[nH]ncc4cc3OC)ccc2-c2cc(C(F)(F)F)ncc2C2CC2)CCC(=O)CC1,VTOBNRHJSWQMCE-UHFFFAOYSA-N
-rxn:5:178295:225938:223244,COC(=O)C1(c2cc(-c3cc4cn[nH]c4cc3OC)ccc2-c2cc(C(F)(F)F)ncc2C2CC2)CCC(=O)CC1,KKMFCTLGWVYNSL-UHFFFAOYSA-N
-rxn:5:178295:226085:225886,COC(=O)C1(c2cc(-c3ccc4c(ccn4S(C)(=O)=O)c3)ccc2-c2ccc3c(c2)CCC(C)(C)O3)CCC(=O)CC1,WNWDDUMHOFJDHO-UHFFFAOYSA-N
-rxn:5:178295:226140:228189,CCSc1ccc(F)c(-c2ccc(-c3cc(C(C)(C)C)ccc3OC)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,PTXYYGLPJGGLBA-UHFFFAOYSA-N
-rxn:5:178295:226325:228506,CCCc1ccccc1-c1ccc(-c2ccc(C(C)(C)C#N)cc2F)c(C2(C(=O)OC)CCC(=O)CC2)c1,QODFEBWUEJROAY-UHFFFAOYSA-N
-rxn:5:178295:226349:228189,CCSc1ccc(F)c(-c2ccc(-c3cc(F)cc(OC(C)(C)C)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,GLSYMOQYUZEIEF-UHFFFAOYSA-N
-rxn:5:178295:226767:227940,CCc1cc(SC)cc(-c2ccc(-c3cc(OC)ccc3C(F)(F)F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,NVJNPATWKNFLBF-UHFFFAOYSA-N
-rxn:5:178295:226778:228558,CCSc1cccc(-c2ccc(-c3cc(OC)c(OC)c(F)c3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,RCCOFEYZHOETRR-UHFFFAOYSA-N
-rxn:5:178295:227045:227935,CCc1cc(-c2ccc(-c3cccc(SC(C)(C)C)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)ccc1OC,METRKNRYZCOJNM-UHFFFAOYSA-N
-rxn:5:178295:227311:227076,CCC(C)c1ccc(F)c(-c2ccc(-c3cnc(C(C)CC)cc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,PONOSYDWRHRGDQ-UHFFFAOYSA-N
-rxn:5:178295:227670:227933,CCc1ccc(OC)cc1-c1ccc(-c2cc(F)cc(C(C)(F)F)c2)c(C2(C(=O)OC)CCC(=O)CC2)c1,BWLSBGIDPDIOQY-UHFFFAOYSA-N
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-rxn:5:178295:227736:225886,COC(=O)C1(c2cc(-c3ccc4c(ccn4S(C)(=O)=O)c3)ccc2-c2cc(C(F)(F)F)cnc2C)CCC(=O)CC1,RMRXKMNXGYQYKJ-UHFFFAOYSA-N
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-rxn:5:189243:225849:225607,CC(c1ccc(-c2ccc(-c3cnc(N4CCCCC4)cc3F)c(CCN(C)C)c2)s1)N1CCCCC1,LDIUITVKESRCSJ-UHFFFAOYSA-N
-rxn:5:189243:225874:225607,CC(c1ccc(-c2ccc(-c3ccc(F)c(N4CCOCC4)c3)c(CCN(C)C)c2)s1)N1CCCCC1,VQVDPKIEDFPBCT-UHFFFAOYSA-N
-rxn:5:189320:225636:226661,CC1CCN(c2cc(-c3cc(C(=O)OC(C)(C)C)cnc3-c3cc(N4CCN(C)CC4)cs3)ccn2)CC1,UFHREKXEFQMWLO-UHFFFAOYSA-N
-rxn:5:189320:226729:225603,CC(C)(C)OC(=O)c1cnc(-c2cccc(C3(C#N)CCC3)c2F)c(-c2cnc(OC3CCOC3)nc2)c1,QTNJBVZUESBKOM-UHFFFAOYSA-N
-rxn:5:189323:225461:222990,Cc1cc(N2CCCCC2)ccc1-c1cnc(-c2ccc(N3CCC(O)CC3)cc2)cc1C(=O)OC(C)(C)C,UNUYLVUWKSMVOG-UHFFFAOYSA-N
-rxn:5:189334:222994:225465,CN1CCC(c2cccc(-c3cc(-c4cccc(N5CCC(O)CC5)c4)cnc3C(=O)OC(C)(C)C)c2)CC1,VJQSXMXVIOICLR-UHFFFAOYSA-N
-rxn:5:189334:225602:226729,CC(C)(C)OC(=O)c1ncc(-c2cc(C3(C#N)CCC3)ccc2F)cc1-c1cnc(OC2CCOC2)nc1,OINCLVDROAOETB-UHFFFAOYSA-N
-rxn:5:189334:226429:225657,Cc1cc(-c2cc(-c3ccc(N4CCCC(C)C4)s3)cnc2C(=O)OC(C)(C)C)ccc1N1CCOCC1,MKZWKWMDFJAISP-UHFFFAOYSA-N
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-rxn:5:189540:226662:225978,COC1CN(Cc2cc(-c3ccc(N4CCN(C)CC4)s3)ccc2-c2ccc(N3CCOCC3)nc2F)C1,VHQXWWDDEFTCMO-UHFFFAOYSA-N
-rxn:5:189662:227710:222989,Cc1cc(N2CCNCC2)ccc1-c1ncc(-c2ccc(OS(C)(=O)=O)cc2)cc1OCC1CCOCC1,PFSHZLLRBVKEFH-UHFFFAOYSA-N
-rxn:5:189662:227710:225636,CC1CCN(c2cc(-c3ncc(-c4ccc(OS(C)(=O)=O)cc4)cc3OCC3CCOCC3)ccn2)CC1,ROEHCAHVPIEEMO-UHFFFAOYSA-N
-rxn:5:189662:227710:225683,Cc1nc(C2CCCOC2)ccc1-c1ncc(-c2ccc(OS(C)(=O)=O)cc2)cc1OCC1CCOCC1,ZBAUZQAZBFJLRJ-UHFFFAOYSA-N
-rxn:5:189665:225605:227710,Cc1cnc(OC2CCCC2)c(-c2cnc(OCC3CCOCC3)c(-c3ccc(OS(C)(=O)=O)cc3)c2)c1,YZZGUAGVCDARDJ-UHFFFAOYSA-N
-rxn:5:189665:225641:227710,CC1CCCN(c2cc(-c3cnc(OCC4CCOCC4)c(-c4ccc(OS(C)(=O)=O)cc4)c3)ccn2)C1,UCGOIDWNEWIYIH-UHFFFAOYSA-N
-rxn:5:189665:225654:227710,CC1CCCN(c2ccc(-c3cnc(OCC4CCOCC4)c(-c4ccc(OS(C)(=O)=O)cc4)c3)cn2)C1,LECIONRMSJMZDE-UHFFFAOYSA-N
-rxn:5:189665:225802:227020,Fc1nc(OC2CCCC2)ccc1-c1cnc(OCC2CCOCC2)c(-c2cncc(C#CC3CC3)c2)c1,BYOUFCIBOBNLQX-UHFFFAOYSA-N
-rxn:5:189665:226425:227710,CC1CCCCN1c1ccc(-c2cnc(OCC3CCOCC3)c(-c3ccc(OS(C)(=O)=O)cc3)c2)s1,ZIYIXAOGSDBOAA-UHFFFAOYSA-N
-rxn:5:189718:225849:223294,O=[N+]([O-])c1cc(-c2csc(N3CCNCC3)n2)c(-c2cnc(N3CCCCC3)cc2F)cc1OC1CCOCC1,ZJUFYNPNJIMGBW-UHFFFAOYSA-N
-rxn:5:189718:225849:227408,O=[N+]([O-])c1cc(-c2cc(C3CCC3)ncc2F)c(-c2cnc(N3CCCCC3)cc2F)cc1OC1CCOCC1,BFMSPDPNIVAMOT-UHFFFAOYSA-N
-rxn:5:189718:225849:228879,O=[N+]([O-])c1cc(-c2ccnn2C2COC2)c(-c2cnc(N3CCCCC3)cc2F)cc1OC1CCOCC1,QTDUPNWBPVAZLW-UHFFFAOYSA-N
-rxn:5:189718:226374:227408,O=[N+]([O-])c1cc(-c2cc(C3CCC3)ncc2F)c(-c2cncnc2C2CCCCC2)cc1OC1CCOCC1,CYBIPAUSSVWDPZ-UHFFFAOYSA-N
-rxn:5:189718:226374:228013,O=[N+]([O-])c1cc(-c2ccc(F)c(C3CC3)c2)c(-c2cncnc2C2CCCCC2)cc1OC1CCOCC1,ZUNPOWWLCZILQF-UHFFFAOYSA-N
-rxn:5:189718:227387:227408,O=[N+]([O-])c1cc(-c2cc(C3CCC3)ncc2F)c(-c2ccnc(N3CCCC3)c2)cc1OC1CCOCC1,ASLBERTUQQHWPL-UHFFFAOYSA-N
-rxn:5:189718:228712:222998,O=[N+]([O-])c1cc(-c2cc(F)cc(C3CCCNC3)c2)c(-c2ccnn2C2CCC2)cc1OC1CCOCC1,PNWQNYYEHSPBCA-UHFFFAOYSA-N
-rxn:5:189826:225978:228680,CCCn1nc(C)cc1-c1ccc(CC(=O)N2CCOCC2)c(-c2ccc(N3CCOCC3)nc2F)c1,PAXJCMACONJPNF-UHFFFAOYSA-N
-rxn:5:189827:223006:227959,Cc1cnc(C2CC2)c(-c2ccc(CC(=O)N3CCOCC3)cc2-c2ccc(F)c(C3CCNCC3)c2)c1,GRYONDIDASEIOH-UHFFFAOYSA-N
-rxn:5:189908:223147:223064,Fc1nc(C2CCNCC2)ccc1-c1ncc(-c2ccc(C3CNCCO3)cc2)cc1OCC1CCCCC1,HLSIGUJLDLSFGN-UHFFFAOYSA-N
-rxn:5:189908:225602:226437,N#CC1(c2ccc(F)c(-c3cnc(-c4cc(C5CCCC5)ncc4F)c(OCC4CCCCC4)c3)c2)CCC1,BVCLPOKONYVWMK-UHFFFAOYSA-N
-rxn:5:190000:225395:225886,CC(C)(C)c1cc(-c2cc(-c3ccc4c(ccn4S(C)(=O)=O)c3)ccc2CC(=O)N2CCCCC2)cc(C2CC2)c1,XYXCFIKZDUQMBJ-UHFFFAOYSA-N
-rxn:5:190001:222989:223058,Cc1cc(N2CCNCC2)ccc1-c1cc(CC(=O)N2CCCCC2)ccc1-c1cc(F)nc(C2CCCNC2)c1,SZFGAQUWQUZOQC-UHFFFAOYSA-N
-rxn:5:190127:223010:223112,COC1CCN(C(=O)c2cc(-c3ccc(C4(O)CCOCC4)cc3)ccc2-c2c(C(C)C)ccc3[nH]ncc23)CC1,LPYHKTBWQCVGCF-UHFFFAOYSA-N
-rxn:5:190127:226794:225666,COC1CCN(C(=O)c2cc(-c3cnc(N4CCSCC4)nc3)ccc2-c2cc(F)cc(N3CCCCC3)c2)CC1,PYQFNKLPTUWNJK-UHFFFAOYSA-N
-rxn:5:190132:227710:225794,COC1CCN(C(=O)c2ccc(-c3ccc(OS(C)(=O)=O)cc3)cc2-c2cnc(OC3CCCCC3)nc2)CC1,PUDHAZISWUJTQB-UHFFFAOYSA-N
-rxn:5:190194:223004:223011,COC1CCN(Cc2cccc(-c3ccc(C4CCNCC4)c(F)c3)c2-c2cc3[nH]ncc3cc2OC(C)C)CC1,UHBLCUCFDPELCU-UHFFFAOYSA-N
-rxn:5:190194:223294:227107,COC1CCN(Cc2cccc(-c3csc(N4CCNCC4)n3)c2-c2cc(C)cc(C3CC3)c2F)CC1,VKGCOFJWUWGKEZ-UHFFFAOYSA-N
-rxn:5:190194:227205:223010,COC1CCN(Cc2cccc(-c3cccc4c3OCCCO4)c2-c2ccc(C3(O)CCOCC3)cc2)CC1,ZBUICEOMKFMFCL-UHFFFAOYSA-N
-rxn:5:190194:228071:222960,COC1CCN(Cc2cccc(-c3cccc4c3OCCO4)c2-c2cc(C)cc(C3CCNCC3)c2)CC1,ISTIPYNDZDFOQK-UHFFFAOYSA-N
-rxn:5:190198:222981:227496,CCN(C)c1cc(F)c(-c2cccc(-c3ccnc(NC4CCCCC4)c3)c2CN(C)C2CCOCC2)cn1,PLIILKIHGJFZKF-UHFFFAOYSA-N
-rxn:5:190198:223064:228363,CN(C)c1cc(F)c(-c2cccc(-c3ccc(C4CCNCC4)nc3F)c2CN(C)C2CCOCC2)cn1,CDOFKUOTAATHEQ-UHFFFAOYSA-N
-rxn:5:190198:225849:227496,CCN(C)c1cc(F)c(-c2cccc(-c3cnc(N4CCCCC4)cc3F)c2CN(C)C2CCOCC2)cn1,RKEWMEXKSZWRSG-UHFFFAOYSA-N
-rxn:5:190199:223061:228361,CN(C)c1cc(-c2ccc(-c3cc(C4CCNCC4)ncc3F)c(CN(C)C3CCOCC3)c2)c(F)cn1,CQNURJAVQPAYEF-UHFFFAOYSA-N
-rxn:5:190199:223062:228366,CN(C)c1ncc(-c2ccc(-c3cnc(C4CCNCC4)cc3F)c(CN(C)C3CCOCC3)c2)cc1F,WUIZWSWJPBDRGE-UHFFFAOYSA-N
-rxn:5:190199:223064:228366,CN(C)c1ncc(-c2ccc(-c3ccc(C4CCNCC4)nc3F)c(CN(C)C3CCOCC3)c2)cc1F,CQHVQUSIZRDEOW-UHFFFAOYSA-N
-rxn:5:190199:225849:228361,CN(C)c1cc(-c2ccc(-c3cnc(N4CCCCC4)cc3F)c(CN(C)C3CCOCC3)c2)c(F)cn1,HKFGPWNMYMZBHQ-UHFFFAOYSA-N
-rxn:5:190199:228361:223064,CN(C)c1cc(-c2ccc(-c3ccc(C4CCNCC4)nc3F)cc2CN(C)C2CCOCC2)c(F)cn1,QZFQZGKBCKDKGO-UHFFFAOYSA-N
-rxn:5:190265:228547:223058,CCCc1ccncc1-c1cc(CC(=O)N2CCCC(C)C2)ccc1-c1cc(F)nc(C2CCCNC2)c1,QIDDDLVITLNPBR-UHFFFAOYSA-N
-rxn:5:190307:225833:228121,CCOc1nccc(C)c1-c1ccc(-c2ccnc(N3CCCCC3)c2F)cc1CCN1CCC(C)CC1,AWOWBGAVWZDTGQ-UHFFFAOYSA-N
-rxn:5:190337:228567:227045,CCC(C)c1sccc1-c1cc(C(=O)N2CCC(C)CC2)cc(-c2cccc(SC(C)(C)C)c2)c1OC,FNCIWZRZZSURPR-UHFFFAOYSA-N
-rxn:5:190484:223138:228965,O=C(c1cccc(-c2ccnc(C3CCNCC3)c2)c1)N1CCC(c2ccccc2-c2ccc([N+](=O)[O-])nc2)S(=O)(=O)CC1,KPTIFSGLTAIUMA-UHFFFAOYSA-N
-rxn:5:190484:225620:223138,O=C(c1cccc(-c2ccc(OC3CCOCC3)cc2)c1)N1CCC(c2ccccc2-c2ccnc(C3CCNCC3)c2)S(=O)(=O)CC1,HQLDTXLZBQGEKL-UHFFFAOYSA-N
-rxn:5:190484:227452:223138,O=C(c1cccc(-c2cccc(C3OCCO3)c2)c1)N1CCC(c2ccccc2-c2ccnc(C3CCNCC3)c2)S(=O)(=O)CC1,JMGGOQNACNCEIZ-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:5:190680:226768:225441,CSc1ccc(-c2ccc3c(c(OC(C)=O)cn3C(C)=O)c2-c2cc(C3CC3)cnc2C(C)(C)C)cc1C(F)(F)F,OYRZHBWMRMHCLX-UHFFFAOYSA-N
-rxn:5:190740:222996:225465,CCOC(=O)c1cnc2c(C)cc(-c3ccc(F)cc3C3CCCNC3)cc2c1-c1cccc(C2CCN(C)CC2)c1,OSUURBDVDXTOIR-UHFFFAOYSA-N
-rxn:5:190740:223064:225605,CCOC(=O)c1cnc2c(C)cc(-c3ccc(C4CCNCC4)nc3F)cc2c1-c1cc(C)cnc1OC1CCCC1,SGOGMCJYZUKMOE-UHFFFAOYSA-N
-rxn:5:190740:225657:223058,CCOC(=O)c1cnc2c(C)cc(-c3ccc(N4CCOCC4)c(C)c3)cc2c1-c1cc(F)nc(C2CCCNC2)c1,RVHLEJKACSLGLM-UHFFFAOYSA-N
-rxn:5:190740:225666:225674,CCOC(=O)c1cnc2c(C)cc(-c3cc(F)cc(N4CCCCC4)c3)cc2c1-c1cnc(C2CCCCC2)cc1F,DYGGODHQNAUHKN-UHFFFAOYSA-N
-rxn:5:190740:225674:225466,CCOC(=O)c1cnc2c(C)cc(-c3cnc(C4CCCCC4)cc3F)cc2c1-c1ccc(N2CCCCC2C)cc1,GREBGCLOTKDBJC-UHFFFAOYSA-N
-rxn:5:190740:225868:225833,CCOC(=O)c1cnc2c(C)cc(-c3ccc(N4CCOCC4)c(F)c3)cc2c1-c1ccnc(N2CCCCC2)c1F,ITRDITLWSMFVGA-UHFFFAOYSA-N
-rxn:5:190740:225880:225464,CCOC(=O)c1cnc2c(C)cc(-c3cc(C4CCOCC4)ncc3F)cc2c1-c1cccc(N2CCCC(C)C2)c1,NKQBOHWCSLJCGR-UHFFFAOYSA-N
-rxn:5:190740:225881:222995,CCOC(=O)c1cnc2c(C)cc(-c3ccc(C4CCOCC4)nc3F)cc2c1-c1cccc(N2CCCC(O)C2)c1,KKFCJKXUMIUPGZ-UHFFFAOYSA-N
-rxn:5:190741:222983:223063,CCOC(=O)c1cnc2c(-c3cccc(CN4CCC(O)C4)c3)cc(C)cc2c1-c1cc(F)nc(C2CCNCC2)c1,CNRRAGQUCWUKSY-UHFFFAOYSA-N
-rxn:5:190741:223058:225632,CCOC(=O)c1cnc2c(-c3cc(F)nc(C4CCCNC4)c3)cc(C)cc2c1-c1cccc(N2CCN(C)CC2)c1,CCEYMAFLDVEBTJ-UHFFFAOYSA-N
-rxn:5:190741:225447:223058,CCOC(=O)c1cnc2c(-c3ccc(OC4CCCCC4)cc3)cc(C)cc2c1-c1cc(F)nc(C2CCCNC2)c1,DNNIVWSRVQYGCN-UHFFFAOYSA-N
-rxn:5:190741:225641:222995,CCOC(=O)c1cnc2c(-c3ccnc(N4CCCC(C)C4)c3)cc(C)cc2c1-c1cccc(N2CCCC(O)C2)c1,SCJULRKJPDFOQI-UHFFFAOYSA-N
-rxn:5:190742:223007:225653,CCOC(=O)c1cnc2c(C)ccc(-c3cc(F)cc(C4CCNCC4)c3)c2c1-c1ccc(N2CCCCC2C)nc1,QRBXWLOQBJQSAX-UHFFFAOYSA-N
-rxn:5:190742:225868:225653,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(N4CCOCC4)c(F)c3)c2c1-c1ccc(N2CCCCC2C)nc1,QYRVESOHXPRKQI-UHFFFAOYSA-N
-rxn:5:190742:226429:222996,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(N4CCCC(C)C4)s3)c2c1-c1ccc(F)cc1C1CCCNC1,PYYACVWGBUZJJK-UHFFFAOYSA-N
-rxn:5:190742:226662:225640,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(N4CCN(C)CC4)s3)c2c1-c1ccnc(N2CCCCC2C)c1,YGXKPGBMXHERSS-UHFFFAOYSA-N
-rxn:5:190743:222990:222985,CCOC(=O)c1cnc2c(C)c(-c3ccc(N4CCC(O)CC4)cc3)ccc2c1-c1ccc(C2CCCNC2)nc1C,WGBXYVZIGHINFA-UHFFFAOYSA-N
-rxn:5:190743:222998:226654,CCOC(=O)c1cnc2c(C)c(-c3cc(F)cc(C4CCCNC4)c3)ccc2c1-c1csc(N2CCC(C)CC2)n1,IEPFHLLZWQMFFP-UHFFFAOYSA-N
-rxn:5:190743:225666:226571,CCOC(=O)c1cnc2c(C)c(-c3cc(F)cc(N4CCCCC4)c3)ccc2c1-c1cnn(CC2CCOCC2)c1,IGLFDQGNGFUYOX-UHFFFAOYSA-N
-rxn:5:190743:225978:225666,CCOC(=O)c1cnc2c(C)c(-c3ccc(N4CCOCC4)nc3F)ccc2c1-c1cc(F)cc(N2CCCCC2)c1,VEOVDKNEPKWKNG-UHFFFAOYSA-N
-rxn:5:190744:222996:225674,CCOC(=O)c1cnc2c(-c3ccc(F)cc3C3CCCNC3)c(C)ccc2c1-c1cnc(C2CCCCC2)cc1F,JOAHNOOKARHZAW-UHFFFAOYSA-N
-rxn:5:190744:223002:225640,CCOC(=O)c1cnc2c(-c3ccc(C4CCNCC4)cc3F)c(C)ccc2c1-c1ccnc(N2CCCCC2C)c1,GVGXAXQTHPTNCS-UHFFFAOYSA-N
-rxn:5:190744:223006:226571,CCOC(=O)c1cnc2c(-c3ccc(F)c(C4CCNCC4)c3)c(C)ccc2c1-c1cnn(CC2CCOCC2)c1,GIYMKIQZQLOZIT-UHFFFAOYSA-N
-rxn:5:190744:225671:223002,CCOC(=O)c1cnc2c(-c3cc(C4CCCCC4)ncc3F)c(C)ccc2c1-c1ccc(C2CCNCC2)cc1F,BGZVDJKINFSCSS-UHFFFAOYSA-N
-rxn:5:190744:225794:225515,CCOC(=O)c1cnc2c(-c3cnc(OC4CCCCC4)nc3)c(C)ccc2c1-c1cccc2c1OCC(C)(C)CO2,OFCXEUQFQMGRSB-UHFFFAOYSA-N
-rxn:5:190744:225806:225514,CCOC(=O)c1cnc2c(-c3cnc(OC4CCCC4)cc3F)c(C)ccc2c1-c1cccc2c1OCC1(CC1)CO2,XNLMWWATTJIAQC-UHFFFAOYSA-N
-rxn:5:190744:225978:223004,CCOC(=O)c1cnc2c(-c3ccc(N4CCOCC4)nc3F)c(C)ccc2c1-c1ccc(C2CCNCC2)c(F)c1,HBWCONPFGHDNLI-UHFFFAOYSA-N
-rxn:5:190744:226686:225592,CCOC(=O)c1cnc2c(-c3c(C)cnn3C3CCCCO3)c(C)ccc2c1-c1cc(F)ccc1CN1CCCC1,FETDQLRTHRHBCQ-UHFFFAOYSA-N
-rxn:5:190798:225451:226064,CC(C)(C)OC(=O)n1cc(-c2ccc(SC3CCCCC3)cc2)c2cc(-c3ccc(C4CCCCC4)cc3)ccc21,WNEZXAZDHJRERA-UHFFFAOYSA-N
-rxn:5:190799:225451:227103,CC(C)(C)OC(=O)n1ccc2c(-c3ccc(SC4CCCCC4)cc3)c(-c3sccc3C3CCCCC3)ccc21,PCVGYTKYWDLXHT-UHFFFAOYSA-N
-rxn:5:190833:228260:227045,CC(C)(C)OC(=O)N1Cc2c(-c3cccc(SC(C)(C)C)c3)ccc(-c3cccc(C(C)(F)F)c3)c2C1=O,MVKULTIOUDPKBD-UHFFFAOYSA-N
-rxn:5:190833:228388:227065,Cc1cnc(C(F)F)cc1-c1ccc(-c2cccc(C(=O)C(C)C)c2)c2c1C(=O)N(C(=O)OC(C)(C)C)C2,XGKMYRYKNVIYMP-UHFFFAOYSA-N
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-rxn:5:191026:227989:227071,CC#Cc1ccc(F)c(-c2ccc3c(c2)N(c2ccc(C)c(-c4c(C)cc(COC)cc4C)c2)C=C(C(=O)OC)S3(=O)=O)c1,FRIWUGHDFNVGND-UHFFFAOYSA-N
-rxn:5:192561:225833:226662,CN1CCN(c2ccc(-c3ccc(-c4ccnc(N5CCCCC5)c4F)c(C(=O)N4CCC4)c3)s2)CC1,YEOSVCAEXMICMU-UHFFFAOYSA-N
-rxn:5:193228:225834:226438,O=C(c1cc(-c2cnc(C3CCCC3)cc2F)cc(-c2cc(N3CCCCC3)ncc2F)c1)N1CCSCC1,YKZDJDVRXFVHRP-UHFFFAOYSA-N
-rxn:5:193228:225849:225980,O=C(c1cc(-c2cnc(N3CCCCC3)cc2F)cc(-c2cc(N3CCOCC3)ncc2F)c1)N1CCSCC1,RKEAIBZVWBEAJA-UHFFFAOYSA-N
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-rxn:5:193228:226679:226181,O=C(c1cc(-c2ccc(C3=CCCCC3)nc2)cc(-c2cnc(N3CCCC3)cc2F)c1)N1CCSCC1,RHRKCCVNGLFFEC-UHFFFAOYSA-N
-rxn:5:193228:228199:223061,Cc1nn(C2CCC2)cc1-c1cc(C(=O)N2CCSCC2)cc(-c2cc(C3CCNCC3)ncc2F)c1,GFHVZKZCSGDNRX-UHFFFAOYSA-N
-rxn:5:193329:227768:225683,Cc1nc(C2CCCOC2)ccc1-c1c(-c2cccn2S(=O)(=O)N(C)C)ccnc1OC1CCCCC1,JTDRSXIZBAAKBK-UHFFFAOYSA-N
-rxn:5:193332:223147:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(CN2CCOCC2)c(-c2ccc(C3CNCCO3)cc2)c1,XVGCAKQOMQAQTH-UHFFFAOYSA-N
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-rxn:5:193382:222956:223135,Cc1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3cccnc3C3CCCNC3)c2)c(C2CCCNC2)c1,WEAMHKJAPGUTQY-UHFFFAOYSA-N
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-rxn:5:193382:222987:222985,Cc1nc(C2CCNCC2)ccc1-c1ccc(S(=O)(=O)N2CCOCC2)c(-c2ccc(C3CCCNC3)nc2C)c1,XRBDFHWXDMHRKQ-UHFFFAOYSA-N
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-rxn:5:193382:223058:227086,O=S(=O)(c1ccc(-c2cc(F)nc(C3CCCNC3)c2)cc1-c1ccnc(C2CCCC2)c1)N1CCOCC1,BVWYDWWXRVHMNO-UHFFFAOYSA-N
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-rxn:5:193382:225638:225803,CC1CCN(c2ccc(-c3ccc(S(=O)(=O)N4CCOCC4)c(-c4ccnc(OC5CCOCC5)c4)c3)cn2)CC1,INOMJUFLUGSGNN-UHFFFAOYSA-N
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-rxn:5:193382:225661:223200,Cc1cc(N2CCOCC2)ccc1-c1ccc(S(=O)(=O)N2CCOCC2)c(-c2ccc(C3CCNC3)cc2)c1,HBAAOVKFXARUOU-UHFFFAOYSA-N
-rxn:5:193382:225661:225683,Cc1cc(N2CCOCC2)ccc1-c1ccc(S(=O)(=O)N2CCOCC2)c(-c2ccc(C3CCCOC3)nc2C)c1,FIGWHSSQFXHANM-UHFFFAOYSA-N
-rxn:5:193382:225684:225879,Cc1nc(C2CCOCC2)ccc1-c1ccc(S(=O)(=O)N2CCOCC2)c(-c2ccc(N3CCOCC3)cc2F)c1,KOLFULOIMYZBTN-UHFFFAOYSA-N
-rxn:5:193382:225684:227958,Cc1nc(C2CCOCC2)ccc1-c1ccc(S(=O)(=O)N2CCOCC2)c(-c2ccnc(C3CCC3)c2)c1,NZOWJKWDSVYPDO-UHFFFAOYSA-N
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-rxn:5:193382:225881:223004,O=S(=O)(c1ccc(-c2ccc(C3CCOCC3)nc2F)cc1-c1ccc(C2CCNCC2)c(F)c1)N1CCOCC1,CIDWQRGCDXUSTD-UHFFFAOYSA-N
-rxn:5:193382:225925:225683,Cc1ccc(S(=O)(=O)N(C)C)cc1-c1ccc(S(=O)(=O)N2CCOCC2)c(-c2ccc(C3CCCOC3)nc2C)c1,QEXOEDHJMNBTGG-UHFFFAOYSA-N
-rxn:5:193382:226366:223002,O=S(=O)(c1ccc(-c2ccnc(N3CCCCC3)c2)cc1-c1ccc(C2CCNCC2)cc1F)N1CCOCC1,HAINSLBSJGPCSL-UHFFFAOYSA-N
-rxn:5:193382:226411:226649,O=S(=O)(c1ccc(-c2ccc(N3CCOCC3)cc2)cc1-c1cccnc1N1CCOCC1)N1CCOCC1,ZHGPVHXPKUXPKH-UHFFFAOYSA-N
-rxn:5:193382:226415:222987,Cc1nc(C2CCNCC2)ccc1-c1cc(-c2ccccc2N2CCOCC2)ccc1S(=O)(=O)N1CCOCC1,XRHFVFHRFJTDPQ-UHFFFAOYSA-N
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-rxn:5:193382:226645:226649,O=S(=O)(c1ccc(-c2ccnc(N3CCOCC3)c2)cc1-c1cccnc1N1CCOCC1)N1CCOCC1,XAYFYLUMXISLNA-UHFFFAOYSA-N
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-rxn:5:193382:227432:225874,Cc1nc(C2COC2)ccc1-c1ccc(S(=O)(=O)N2CCOCC2)c(-c2ccc(F)c(N3CCOCC3)c2)c1,JHSXOYRXOYHOCS-UHFFFAOYSA-N
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-rxn:5:193681:227710:225683,Cc1nc(C2CCCOC2)ccc1-c1ccc(-c2ccc(OS(C)(=O)=O)cc2)cc1OC1CCN(C)CC1,JBFOCTMEFFZBTH-UHFFFAOYSA-N
-rxn:5:193748:223294:226769,COC(=O)c1cc(F)c(F)c(-c2ccc(-c3csc(N4CCNCC4)n3)cc2C(=O)N2CCCC(C)C2)c1,OMCKVKDRAHFNAM-UHFFFAOYSA-N
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-rxn:5:193756:225641:226437,CC1CCCN(c2cc(-c3ccc(C(=O)N4CCCCC4C)c(-c4cc(C5CCCC5)ncc4F)c3)ccn2)C1,PIJTWIMBKPAMMI-UHFFFAOYSA-N
-rxn:5:193756:225656:225808,CC1CCCCN1C(=O)c1ccc(-c2cncc(N3CCCCC3C)c2)cc1-c1cc(OC2CCCC2)ncc1F,TUSHUUBGWQBQJD-UHFFFAOYSA-N
-rxn:5:193756:225656:227086,CC1CCCCN1C(=O)c1ccc(-c2cncc(N3CCCCC3C)c2)cc1-c1ccnc(C2CCCC2)c1,XGUCWVWAHIEBHL-UHFFFAOYSA-N
-rxn:5:193756:225671:225938,CC1CCCCN1C(=O)c1ccc(-c2cc(C3CCCCC3)ncc2F)cc1-c1cc(C(F)(F)F)ncc1C1CC1,DPBJNFXUIIOAOG-UHFFFAOYSA-N
-rxn:5:193756:225674:228236,CC1CCCCN1C(=O)c1ccc(-c2cnc(C3CCCCC3)cc2F)cc1-c1ccnc(F)c1C1CC1,HFTSTPKURCTRNV-UHFFFAOYSA-N
-rxn:5:193756:225806:225641,CC1CCCN(c2cc(-c3cc(-c4cnc(OC5CCCC5)cc4F)ccc3C(=O)N3CCCCC3C)ccn2)C1,WLLGRYHJGQQPQH-UHFFFAOYSA-N
-rxn:5:193756:225818:227408,CC1CCCCN1C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2C2CC2)cc1-c1cc(C2CCC2)ncc1F,LZQCTIGJKJHGSC-UHFFFAOYSA-N
-rxn:5:193756:226324:227089,CC1CCCCN1C(=O)c1ccc(-c2cccnc2OC2CCCC2)cc1-c1ccncc1C1CCCC1,WOUCANREEGGJPY-UHFFFAOYSA-N
-rxn:5:193756:226611:227377,CCc1ccc(C(F)(F)F)cc1-c1ccc(C(=O)N2CCCCC2C)c(-c2cncnc2C2CCCC2)c1,GWXLZCCFKWBOLG-UHFFFAOYSA-N
-rxn:5:193756:226746:226842,CCc1cnc(C(F)(F)F)cc1-c1ccc(C(=O)N2CCCCC2C)c(-c2cncc(C(=O)C(F)(F)F)c2)c1,PWXJNESFIGBLDF-UHFFFAOYSA-N
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-rxn:5:193756:226843:225640,CC1CCCCN1C(=O)c1ccc(-c2ccc(C(=O)C(F)(F)F)nc2)cc1-c1ccnc(N2CCCCC2C)c1,XKPNLOXKTKYASA-UHFFFAOYSA-N
-rxn:5:193756:227025:226338,CCc1ncc(C2CC2)cc1-c1ccc(C(=O)N2CCCCC2C)c(-c2ccnc(OC3CCCC3)c2)c1,ROPKOSSYYSWGPF-UHFFFAOYSA-N
-rxn:5:193756:227093:225641,CC1CCCN(c2cc(-c3cc(-c4cccnc4C4CCCC4)ccc3C(=O)N3CCCCC3C)ccn2)C1,KSQHFIIYXUGVKR-UHFFFAOYSA-N
-rxn:5:193756:227094:226183,CC1CCCCN1C(=O)c1ccc(-c2cnccc2C2CCCC2)cc1-c1cnccc1C1CCCCC1,WXCYOXCLJOPWKG-UHFFFAOYSA-N
-rxn:5:193756:227387:225808,CC1CCCCN1C(=O)c1ccc(-c2ccnc(N3CCCC3)c2)cc1-c1cc(OC2CCCC2)ncc1F,AADIKIGMRPTVLV-UHFFFAOYSA-N
-rxn:5:193756:227702:225600,COC(=O)c1cnc(F)c(-c2ccc(C(=O)N3CCCCC3C)c(-c3cccnc3OC3CCCCC3)c2)c1,ACFHAUOXZWICBN-UHFFFAOYSA-N
-rxn:5:193756:228320:225674,COC(=O)c1cc(-c2ccc(C(=O)N3CCCCC3C)c(-c3cnc(C4CCCCC4)cc3F)c2)ccn1,NEQAWOXUGDEYAA-UHFFFAOYSA-N
-rxn:5:193807:227298:223062,CC1CCN(Cc2cccc(-c3cnc(C4CCNCC4)cc3F)c2-c2cc(F)ccc2CN(C)C)CC1,DFUVOHMHCWPNQF-UHFFFAOYSA-N
-rxn:5:193807:227298:226661,CC1CCN(Cc2cccc(-c3cc(N4CCN(C)CC4)cs3)c2-c2cc(F)ccc2CN(C)C)CC1,HJVWXAZWCUIREJ-UHFFFAOYSA-N
-rxn:5:193807:227298:226662,CC1CCN(Cc2cccc(-c3ccc(N4CCN(C)CC4)s3)c2-c2cc(F)ccc2CN(C)C)CC1,RBORTYGAZOJUPE-UHFFFAOYSA-N
-rxn:5:193807:227301:226661,CC1CCN(Cc2cccc(-c3cc(N4CCN(C)CC4)cs3)c2-c2ccc(F)cc2CN(C)C)CC1,XFEQFIJKVJSGQA-UHFFFAOYSA-N
-rxn:5:193807:227301:226662,CC1CCN(Cc2cccc(-c3ccc(N4CCN(C)CC4)s3)c2-c2ccc(F)cc2CN(C)C)CC1,YZPILVGKFMWORI-UHFFFAOYSA-N
-rxn:5:193808:223058:227298,CC1CCN(Cc2cc(-c3cc(F)nc(C4CCCNC4)c3)ccc2-c2cc(F)ccc2CN(C)C)CC1,UMQAOONYNUTPSQ-UHFFFAOYSA-N
-rxn:5:193808:223058:227301,CC1CCN(Cc2cc(-c3cc(F)nc(C4CCCNC4)c3)ccc2-c2ccc(F)cc2CN(C)C)CC1,JPGYANVWDRRLCZ-UHFFFAOYSA-N
-rxn:5:193808:226662:227298,CC1CCN(Cc2cc(-c3ccc(N4CCN(C)CC4)s3)ccc2-c2cc(F)ccc2CN(C)C)CC1,QNOYPTYCDAOUIW-UHFFFAOYSA-N
-rxn:5:193808:226662:227301,CC1CCN(Cc2cc(-c3ccc(N4CCN(C)CC4)s3)ccc2-c2ccc(F)cc2CN(C)C)CC1,XHRJNKRLVGPPAC-UHFFFAOYSA-N
-rxn:5:193809:223058:227298,CC1CCN(Cc2ccc(-c3cc(F)nc(C4CCCNC4)c3)cc2-c2cc(F)ccc2CN(C)C)CC1,AELLTISGRNIEKR-UHFFFAOYSA-N
-rxn:5:193809:223058:227301,CC1CCN(Cc2ccc(-c3cc(F)nc(C4CCCNC4)c3)cc2-c2ccc(F)cc2CN(C)C)CC1,UAAMTYFELQIHEC-UHFFFAOYSA-N
-rxn:5:193866:225886:226328,CC(C)(C#N)c1ccc(-c2cc(C3(N4CCC(=O)CC4)CC3)ccc2-c2ccc3c(ccn3S(C)(=O)=O)c2)cc1F,HTUKNYOMAQNYBT-UHFFFAOYSA-N
-rxn:5:193869:227972:223148,Cc1cc(-c2cncc(C3CCC3)c2)c(S(=O)(=O)N2CCCCC2)cc1-c1ccccc1C1CNCCO1,UWSJGEPJRGAUNB-UHFFFAOYSA-N
-rxn:5:193870:223148:223311,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cccc(C3CNC3)c2)cc1-c1ccccc1C1CNCCO1,DFPUCBOOUFQYSY-UHFFFAOYSA-N
-rxn:5:193871:226322:225886,Cc1cc(C(=O)N(C)C)ccc1-c1cc(C(=O)N2CCC3(CC2)CC3)ccc1-c1ccc2c(ccn2S(C)(=O)=O)c1,AGYGDLMXRVYVTI-UHFFFAOYSA-N
-rxn:5:193972:226661:228879,Cc1cc(-c2cc(N3CCN(C)CC3)cs2)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccnn1C1COC1,HVGGNFNCYPSYRJ-UHFFFAOYSA-N
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-rxn:5:193972:227452:223138,Cc1cc(-c2cccc(C3OCCO3)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccnc(C2CCNCC2)c1,HCRSJWNCXKKISG-UHFFFAOYSA-N
-rxn:5:193972:227452:223240,Cc1cc(-c2cccc(C3OCCO3)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc(C2CCNC2)nc1,QNQLFKTZLYJNHF-UHFFFAOYSA-N
-rxn:5:193972:227452:223294,Cc1cc(-c2cccc(C3OCCO3)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1csc(N2CCNCC2)n1,MUVQIQRUKGTRSO-UHFFFAOYSA-N
-rxn:5:193972:227452:228879,Cc1cc(-c2cccc(C3OCCO3)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccnn1C1COC1,DRRNWSPVXARYOA-UHFFFAOYSA-N
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-rxn:5:194058:223054:223056,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2ccc(N3CCC(O)CC3)nc2)s1)N1CCC(O)C1,OEDFACIAKGGBPZ-UHFFFAOYSA-M
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-rxn:5:194058:225798:223054,CC(c1ccc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2ccc(OC3CCOCC3)nc2)s1)N1CCC(O)C1,UVHOGORJMSFMFP-UHFFFAOYSA-M
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-rxn:5:194058:225803:225943,O=C(c1ccc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2ccnc(OC3CCOCC3)c2)s1)N1CCOCC1,CBJLCCNBAKHCCO-UHFFFAOYSA-M
-rxn:5:194058:225805:222404,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2ccc(C3NC(=O)NC3=O)cc2)s1)N1CCOCC1,NLGVGEMZRBTNNP-UHFFFAOYSA-M
-rxn:5:194058:225805:223056,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2ccc(N3CCC(O)CC3)nc2)s1)N1CCOCC1,ALSZEAIKKPPATD-UHFFFAOYSA-M
-rxn:5:194058:225805:225631,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2ccc(N3CCN(C)CC3)cc2)s1)N1CCOCC1,WEGOAINYJPURAN-UHFFFAOYSA-M
-rxn:5:194058:225805:225794,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2cnc(OC3CCCCC3)nc2)s1)N1CCOCC1,YOLGKTREBPWDSA-UHFFFAOYSA-M
-rxn:5:194058:225832:225634,Cc1cc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2c(C)nn(C3CCCCO3)c2C)cnc1N1CCCCC1,CQRWEKKLDDDWGV-UHFFFAOYSA-M
-rxn:5:194058:225832:226424,Cc1nn(C2CCCCO2)c(C)c1-c1cc2c(OS(=O)(=O)[O-])c[nH]c2cc1-c1cc(N2CCCC(C)C2)cs1,YZGBLOJZBWSQIF-UHFFFAOYSA-M
-rxn:5:194058:225832:226654,Cc1nn(C2CCCCO2)c(C)c1-c1cc2c(OS(=O)(=O)[O-])c[nH]c2cc1-c1csc(N2CCC(C)CC2)n1,JWYOXMPCGATHHT-UHFFFAOYSA-M
-rxn:5:194058:226424:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc2[nH]cc(OS(=O)(=O)[O-])c2cc1-c1cc(N2CCCC(C)C2)cs1,LELQEFUQRYYJEU-UHFFFAOYSA-M
-rxn:5:194058:226429:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc2[nH]cc(OS(=O)(=O)[O-])c2cc1-c1ccc(N2CCCC(C)C2)s1,VYKMNASPSCZETP-UHFFFAOYSA-M
-rxn:5:194058:226571:223054,CC(c1ccc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2cnn(CC3CCOCC3)c2)s1)N1CCC(O)C1,POTJICDEZURFAA-UHFFFAOYSA-M
-rxn:5:194058:226661:225805,CC(c1ccc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2cc(N3CCN(C)CC3)cs2)s1)N1CCOCC1,WNUHIVVTBIOFDS-UHFFFAOYSA-M
-rxn:5:194397:223062:227505,O=C(c1ccc(-c2ccc(/C=C/[N+](=O)[O-])cc2)cc1-c1cnc(C2CCNCC2)cc1F)N1CC2CC2C1,WBKMIJLZCJBFJU-FMIVXFBMSA-N
-rxn:5:194397:223064:227505,O=C(c1ccc(-c2ccc(/C=C/[N+](=O)[O-])cc2)cc1-c1ccc(C2CCNCC2)nc1F)N1CC2CC2C1,OSVZHTOQMAJRHB-SDNWHVSQSA-N
-rxn:5:194397:223064:227531,COC(=O)c1cc(F)cc(-c2ccc(C(=O)N3CC4CC4C3)c(-c3ccc(C4CCNCC4)nc3F)c2)c1,UFKDEVDKOBJHRN-UHFFFAOYSA-N
-rxn:5:194575:225450:226589,CC(C)c1cnc(C(F)F)cc1-c1cc2c(s1)CCN(S(=O)(=O)c1ccccc1-c1ccc(C(=O)C3CCCC3)cc1)C2,CBZPYPFUCFCFRW-UHFFFAOYSA-N
-rxn:5:196408:226197:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(C2=NOCCO2)c(-c2ccc(C3CCCOC3)cc2)c1,WQIFEMUWYLAGSC-UHFFFAOYSA-N
-rxn:5:196858:225407:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(C2CCOCC2)ncc1-c1ccc(C2CCCCCC2)cc1,IVRGOOFRBSZOAL-UHFFFAOYSA-N
-rxn:5:196858:225832:226663,Cc1nn(C2CCCCO2)c(C)c1-c1cnc(C2CCOCC2)cc1-c1ccc(N2CCSCC2)nc1,VGSFUVAELCZHTF-UHFFFAOYSA-N
-rxn:5:196858:226182:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(C2CCOCC2)ncc1-c1cccnc1C1CCCCC1,NZBFAQFJRRKADI-UHFFFAOYSA-N
-rxn:5:196871:225633:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(-c2ccc(N3CCCCCC3)nc2)c(N2CCOCC2)c1,PMSJXZPOHVRYBU-UHFFFAOYSA-N
-rxn:5:196969:226686:222981,Cc1cnn(C2CCCCO2)c1-c1cnc(C2CCCCC2)cc1-c1ccnc(NC2CCCCC2)c1,SUCHTXSJQREUGS-UHFFFAOYSA-N
-rxn:5:196970:225810:225986,COc1ccc(-c2c(C3CCCCC3)ccnc2-c2ccccc2N2CCCS2(=O)=O)c(C2OCCO2)c1,OKOIVUGYSCEKQP-UHFFFAOYSA-N
-rxn:5:196971:226179:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2cncc(C3CCCCC3)c2)ncc1C1CCCCC1,ZMGUWRVXGWHPCD-UHFFFAOYSA-N
-rxn:5:197169:226652:225926,Cc1cc(-c2cc(-c3ccc(S(=O)(=O)N4CCC4)cc3)cc3c2OCC(C#N)=C3)n(C2CCCCO2)n1,KCFCWBAOFKJUOT-UHFFFAOYSA-N
-rxn:5:197876:223191:228392,CNS(=O)(=O)c1ccc(-c2cc3c(cc2-c2ccc(C(F)(F)F)cc2)C(=O)N(C(C)(C)C)S3(=O)=O)cc1F,YUMNMMZXVLOZJX-UHFFFAOYSA-N
-rxn:5:197876:223287:226973,CNS(=O)(=O)c1ccc(-c2cc3c(cc2-c2ccc4c(c2)C(C)(C)CO4)C(=O)N(C(C)(C)C)S3(=O)=O)cc1,WIGICNSDQTYSRB-UHFFFAOYSA-N
-rxn:5:197876:225395:227863,CC(C)(C)c1cc(-c2cc3c(cc2-c2ccc4c(c2)CCCO4)C(=O)N(C(C)(C)C)S3(=O)=O)cc(C2CC2)c1,YAPJDKISOALBNQ-UHFFFAOYSA-N
-rxn:5:197876:225450:227079,CC(C)Cc1ccc(F)c(-c2cc3c(cc2-c2ccc(C(=O)C4CCCC4)cc2)S(=O)(=O)N(C(C)(C)C)C3=O)c1,UOFGKOMANZUOJK-UHFFFAOYSA-N
-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
-rxn:5:197876:225498:226132,Cc1cc(C2(C#N)CC2)ccc1-c1cc2c(cc1-c1cc(C3CCCCC3)ccc1F)S(=O)(=O)N(C(C)(C)C)C2=O,BCMIAFYQWWWHII-UHFFFAOYSA-N
-rxn:5:197876:225498:227893,CN(C)Cc1cccc(-c2cc3c(cc2-c2cc(C4CCCCC4)ccc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,CGNAZLNCQAGMFM-UHFFFAOYSA-N
-rxn:5:197876:225499:228714,Cc1cc(C#N)ncc1-c1cc2c(cc1-c1ccc(C3CCCCC3)cc1F)S(=O)(=O)N(C(C)(C)C)C2=O,YKAUMDWSTDUISP-UHFFFAOYSA-N
-rxn:5:197876:225499:228846,Cc1cc(-c2cc3c(cc2-c2ccc(C4CCCCC4)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc(F)c1F,GNKSAFDMDFMHPE-UHFFFAOYSA-N
-rxn:5:197876:225601:227965,Cc1ccnc(C(C)C)c1-c1cc2c(cc1-c1ccc(C3(C#N)CCC3)cc1F)S(=O)(=O)N(C(C)(C)C)C2=O,FGFJUODZYDOIKH-UHFFFAOYSA-N
-rxn:5:197876:225601:228763,CCc1c(F)cncc1-c1cc2c(cc1-c1ccc(C3(C#N)CCC3)cc1F)S(=O)(=O)N(C(C)(C)C)C2=O,SHHCTNOPWCBUJJ-UHFFFAOYSA-N
-rxn:5:197876:225602:227547,Cc1cc(-c2cc3c(cc2-c2cc(C4(C#N)CCC4)ccc2F)S(=O)(=O)N(C(C)(C)C)C3=O)ccc1OC(F)F,QOCJKNZUBHSQBJ-UHFFFAOYSA-N
-rxn:5:197876:225602:227943,Cc1ccc(N(C)C)c(-c2cc3c(cc2-c2cc(C4(C#N)CCC4)ccc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,SASHFHZJBSQVCJ-UHFFFAOYSA-N
-rxn:5:197876:225602:228565,CSCc1ccc(-c2cc3c(cc2-c2cc(C4(C#N)CCC4)ccc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1,ZGIRLXWPIVVLHX-UHFFFAOYSA-N
-rxn:5:197876:225603:226200,CC(C)n1cnc2cc(-c3cc4c(cc3-c3cccc(C5(C#N)CCC5)c3F)S(=O)(=O)N(C(C)(C)C)C4=O)ccc21,UYPFYIYFBQXAEE-UHFFFAOYSA-N
-rxn:5:197876:225603:228420,CSc1c(F)cc(-c2cc3c(cc2-c2cccc(C4(C#N)CCC4)c2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1F,LKBDYIXFKZFBKT-UHFFFAOYSA-N
-rxn:5:197876:225671:227079,CC(C)Cc1ccc(F)c(-c2cc3c(cc2-c2cc(C4CCCCC4)ncc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,HLULHKXAFVRXFP-UHFFFAOYSA-N
-rxn:5:197876:225671:228517,CC#Cc1ccccc1-c1cc2c(cc1-c1cc(C3CCCCC3)ncc1F)S(=O)(=O)N(C(C)(C)C)C2=O,SKPBYCQDFLPPJB-UHFFFAOYSA-N
-rxn:5:197876:225819:229012,CC(C)c1ccsc1-c1cc2c(cc1-c1cc(C(F)(F)F)ccc1C1CC1)S(=O)(=O)N(C(C)(C)C)C2=O,LARADMNJSUXDGS-UHFFFAOYSA-N
-rxn:5:197876:225823:228929,CC(C)c1cc(-c2cc3c(cc2-c2cncc(C(F)F)c2)C(=O)N(C(C)(C)C)S3(=O)=O)cc(C(F)(F)F)c1,RMNOHUGUBKPKGU-UHFFFAOYSA-N
-rxn:5:197876:225940:227048,CC(C)C(=O)c1ccc(-c2cc3c(cc2-c2cc(C(F)(F)F)cnc2C2CC2)S(=O)(=O)N(C(C)(C)C)C3=O)cc1,VXPQJZXYERRKQU-UHFFFAOYSA-N
-rxn:5:197876:226031:227326,COC(=O)c1ccc(C)c(-c2cc3c(cc2-c2ccc(C(F)(F)F)cc2C(F)F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,HWBRMALLRGHPTC-UHFFFAOYSA-N
-rxn:5:197876:226032:223263,CNC(=O)c1ccc(F)c(-c2cc3c(cc2-c2cc(OC)cc(C(F)(F)F)c2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,MRXIAUYNHFPACW-UHFFFAOYSA-N
-rxn:5:197876:226032:228619,CCc1cc(-c2cc3c(cc2-c2cc(OC)cc(C(F)(F)F)c2F)S(=O)(=O)N(C(C)(C)C)C3=O)ccc1F,DLGIOXYIRXKJLQ-UHFFFAOYSA-N
-rxn:5:197876:226050:228509,CC(C)c1ccc(-c2cc3c(cc2-c2c(F)cc(OC(F)(F)F)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1,AJEIXXFYRZZQBO-UHFFFAOYSA-N
-rxn:5:197876:226059:227988,CC(C)c1ccc(-c2cc3c(cc2-c2cccc(C4CC4)c2F)C(=O)N(C(C)(C)C)S3(=O)=O)c(C(C)C)c1,HMCFIDPJEWZTBA-UHFFFAOYSA-N
-rxn:5:197876:226061:227863,CC(C)c1cc(-c2cc3c(cc2-c2ccc4c(c2)CCCO4)C(=O)N(C(C)(C)C)S3(=O)=O)cc(C2CC2)c1,RODPSBVNXGAFLN-UHFFFAOYSA-N
-rxn:5:197876:226061:228971,CC(C)c1cc(-c2cc3c(cc2-c2csc(C(F)(F)F)c2)C(=O)N(C(C)(C)C)S3(=O)=O)cc(C2CC2)c1,KPEWKDFJDPQQBM-UHFFFAOYSA-N
-rxn:5:197876:226062:228007,CC(C)c1cc(-c2cc3c(cc2-c2cc(F)ccc2C2CC2)C(=O)N(C(C)(C)C)S3(=O)=O)cc(C(C)C)c1,BHFAOULVOJAOQT-UHFFFAOYSA-N
-rxn:5:197876:226085:227833,CCc1cc(C)cc(C)c1-c1cc2c(cc1-c1ccc3c(c1)CCC(C)(C)O3)S(=O)(=O)N(C(C)(C)C)C2=O,GAUPGOBKFQMICP-UHFFFAOYSA-N
-rxn:5:197876:226085:228179,COCc1cc(F)cc(-c2cc3c(cc2-c2ccc4c(c2)CCC(C)(C)O4)S(=O)(=O)N(C(C)(C)C)C3=O)c1,JZKWBGIDJXEAKG-UHFFFAOYSA-N
-rxn:5:197876:226191:227050,Cc1cc(-c2cc3c(cc2-c2cc(C4CCCC4)ccc2F)S(=O)(=O)N(C(C)(C)C)C3=O)ccc1OC(C)C,DKVVWBAMJFVPNW-UHFFFAOYSA-N
-rxn:5:197876:226191:227402,CC(C)(C)c1cc(-c2cc3c(cc2-c2cc(C4CCCC4)ccc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc(F)n1,UEDDFFZWWIGNBJ-UHFFFAOYSA-N
-rxn:5:197876:226191:227808,CC(C)(C)N1C(=O)c2cc(-c3ccc4c(c3)CCCC4)c(-c3cc(C4CCCC4)ccc3F)cc2S1(=O)=O,NWANMOVHAINFJS-UHFFFAOYSA-N
-rxn:5:197876:226320:227815,CCC(C)c1ccccc1-c1cc2c(cc1-c1cc(C3(C#N)CC3)ccc1F)S(=O)(=O)N(C(C)(C)C)C2=O,XQMDDKPTDNNNCO-UHFFFAOYSA-N
-rxn:5:197876:226325:225946,CC(=O)c1cc(-c2cc3c(cc2-c2ccc(C(C)(C)C#N)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc(C(F)(F)F)c1,IYGZPHIBDLRGKY-UHFFFAOYSA-N
-rxn:5:197876:226326:226917,Cc1cc(-c2cc3c(cc2-c2cccc(C4(C#N)CC4)c2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc(C(C)(C)C)c1,VIFVTXHOQJBKOV-UHFFFAOYSA-N
-rxn:5:197876:226444:226611,CCc1ccc(C(F)(F)F)cc1-c1cc2c(cc1-c1ccc(C3CCCO3)nc1C)S(=O)(=O)N(C(C)(C)C)C2=O,KXERQTSRQGMRRE-UHFFFAOYSA-N
-rxn:5:197876:226581:227737,Cc1cc(C(F)(F)F)ncc1-c1cc2c(cc1-c1cccc(C(=O)N(C)C)c1F)S(=O)(=O)N(C(C)(C)C)C2=O,RLNOCQSYOXHVTL-UHFFFAOYSA-N
-rxn:5:197876:226589:228117,CC(C)Oc1cncc(-c2cc3c(cc2-c2cc(C(F)F)ncc2C(C)C)S(=O)(=O)N(C(C)(C)C)C3=O)c1,STQGNLYXNGMHBH-UHFFFAOYSA-N
-rxn:5:197876:226589:228428,COc1cc(F)c(F)c(-c2cc3c(cc2-c2cc(C(F)F)ncc2C(C)C)S(=O)(=O)N(C(C)(C)C)C3=O)c1,FZRQITLKSOWYLQ-UHFFFAOYSA-N
-rxn:5:197876:226594:227933,CCc1ccc(OC)cc1-c1cc2c(cc1-c1c(F)cc(OC(C)C)cc1F)S(=O)(=O)N(C(C)(C)C)C2=O,APTMGKOZUGRZLN-UHFFFAOYSA-N
-rxn:5:197876:226596:227989,CC#Cc1ccc(F)c(-c2cc3c(cc2-c2ccc(F)c(OC(C)C)c2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,GRSUSBVFWARAPT-UHFFFAOYSA-N
-rxn:5:197876:226596:228253,CC(C)Oc1c(F)ccc(-c2cc3c(cc2-c2ccc(P(C)(C)=O)cc2)C(=O)N(C(C)(C)C)S3(=O)=O)c1F,CPOXVMUCKPTVAT-UHFFFAOYSA-N
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-rxn:5:197876:226919:227124,CC(C)(C)c1ccc(-c2cc3c(cc2-c2cccc(C4CCCC4)c2)S(=O)(=O)N(C(C)(C)C)C3=O)c(F)c1,FIEJNHCJOOBJRW-UHFFFAOYSA-N
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-rxn:5:197876:227048:228499,CC(C)C(=O)c1ccc(-c2cc3c(cc2-c2cc(C(F)(F)F)nn2C)C(=O)N(C(C)(C)C)S3(=O)=O)cc1,NMHAVXHXBJZLOW-UHFFFAOYSA-N
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-rxn:5:197876:227077:225450,CCC(C)c1ccc(-c2cc3c(cc2-c2ccc(C(=O)C4CCCC4)cc2)C(=O)N(C(C)(C)C)S3(=O)=O)c(F)c1,WNKLNUDMZKYUPX-UHFFFAOYSA-N
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-rxn:5:197876:227079:226374,CC(C)Cc1ccc(F)c(-c2cc3c(cc2-c2cncnc2C2CCCCC2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,WUZMCBZJNJZNQA-UHFFFAOYSA-N
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-rxn:5:197876:227102:223192,CNS(=O)(=O)c1cc(-c2cc3c(cc2-c2cc(C(C)(C)C)ccc2F)S(=O)(=O)N(C(C)(C)C)C3=O)ccc1F,IBHNGNAKSVKHNZ-UHFFFAOYSA-N
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-rxn:5:197876:227124:227282,CC(C)c1ncc(C#N)cc1-c1cc2c(cc1-c1ccc(C(C)(C)C)cc1F)S(=O)(=O)N(C(C)(C)C)C2=O,KBJPZFBICYSJMU-UHFFFAOYSA-N
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-rxn:5:197876:227315:227045,CC(C)Cc1cc(F)c(-c2cc3c(cc2-c2cccc(SC(C)(C)C)c2)C(=O)N(C(C)(C)C)S3(=O)=O)cn1,TZQLGIOQTHCFLO-UHFFFAOYSA-N
-rxn:5:197876:227328:226058,CC(C)Oc1cc(F)cc(-c2cc3c(cc2-c2c(C(C)C)cccc2C(C)C)C(=O)N(C(C)(C)C)S3(=O)=O)c1,MTVGYRFYMXWGRW-UHFFFAOYSA-N
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-rxn:5:197876:227409:227288,CN(C)C(=O)c1ccccc1-c1cc2c(cc1-c1cc(C(C)(C)C)ncc1F)S(=O)(=O)N(C(C)(C)C)C2=O,DHYCWIWNSTXUPY-UHFFFAOYSA-N
-rxn:5:197876:227409:227346,CCCc1cc(F)c(-c2cc3c(cc2-c2cc(C(C)(C)C)ncc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c(F)c1,GKMVINQDJBUOCG-UHFFFAOYSA-N
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-rxn:5:197876:227415:227677,Cc1ccc(C(F)(F)F)c(-c2cc3c(cc2-c2ccc(C(C)(C)C)nc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,OCFUYZDGJHHRRR-UHFFFAOYSA-N
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-rxn:5:197876:227716:225466,CC1CCCCN1c1ccc(-c2cc3c(cc2-c2cccc(F)c2OC(F)F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1,ZTHVARBJTBJJAA-UHFFFAOYSA-N
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-rxn:5:197876:228620:225437,CSc1ccc(-c2cc3c(cc2-c2cccc(CN4CCCCC4)c2)C(=O)N(C(C)(C)C)S3(=O)=O)cc1C,BPJAVRQZQZIMQH-UHFFFAOYSA-N
-rxn:5:197876:228622:225823,CCc1cc(F)ccc1-c1cc2c(cc1-c1cc(C(C)C)cc(C(F)(F)F)c1)C(=O)N(C(C)(C)C)S2(=O)=O,NVZAOWSQMXLURE-UHFFFAOYSA-N
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-rxn:5:197876:228918:225927,CN(C)c1ccc(C(F)(F)F)cc1-c1cc2c(cc1-c1cnccc1C(F)F)S(=O)(=O)N(C(C)(C)C)C2=O,WNYXIOLVVCEBLA-UHFFFAOYSA-N
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-rxn:4:173446:223882,Cc1cccc2c1cc(-c1ccc(OCC(F)F)cc1C(=O)OC(C)(C)C)n2C(=O)OC(C)(C)C,QKZLVDRBDSWORQ-UHFFFAOYSA-N
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-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
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-rxn:4:173575:226844,CC1(C)COC(CCCCC(=O)c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2)OC1,XNQYZYXZFLFSED-UHFFFAOYSA-N
-rxn:4:173576:226844,CC1(C)COC(CCCCC(=O)c2ccc(Cl)c(-c3ccnc(C(=O)C(F)(F)F)c3)c2)OC1,LVVYPIXWPIWHGU-UHFFFAOYSA-N
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-rxn:4:173593:223891,CC(C)(C)c1cc(C(=O)OCc2ccc(-c3c(F)ccc4c3ccn4[Si](C)(C)C(C)(C)C)cc2)cc(C(C)(C)C)c1,XQXHSYFINKIJPB-UHFFFAOYSA-N
-rxn:4:173641:223070,Cc1oc2cc(-c3csc(NC(=O)OC(C)(C)C)c3)c(OC(=O)C(C)C)cc2c1C(=O)OC(C)C,MLIOPIAPPCLLKJ-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
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-rxn:4:173723:224715,CCCCOc1cc(C(F)(F)F)ccc1-c1ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc1,UCASPQZDAITQEI-UHFFFAOYSA-N
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-rxn:4:173796:222696,COC(=O)c1cc(F)c(OCC(F)(F)F)c(-c2ccc(F)c(C(=O)N3CCC(O)CC3)c2)c1,XMVKVKFYZINYAU-UHFFFAOYSA-N
-rxn:4:173800:223091,CC(C)(C)OC(=O)Nc1ncc(-c2cccc(OCC(F)(F)C(F)(F)C(F)(F)F)c2)s1,YRGMXEROKCOHFK-UHFFFAOYSA-N
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-rxn:4:173802:224120,Cc1cc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)ccc1CO[Si](C)(C)C(C)(C)C,WYWSFQWMNJJMSQ-UHFFFAOYSA-N
-rxn:4:173802:224267,O=S(=O)(OC(c1ccc(-c2cccc(N3CCC4(CC3)OCCO4)c2)cc1)C(F)(F)F)C(F)(F)F,ITFPOZNMHUMLLS-UHFFFAOYSA-N
-rxn:4:173802:224680,O=C(c1ccc(F)c(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)c1)N1CCCCC1,CBGNVVGOTKHXIH-UHFFFAOYSA-N
-rxn:4:173802:225436,O=S(=O)(OC(c1ccc(-c2ccc(CN3CCCCC3)cc2)cc1)C(F)(F)F)C(F)(F)F,GYTOKBBJWKYUSU-UHFFFAOYSA-N
-rxn:4:173802:225593,O=S(=O)(OC(c1ccc(-c2cc(F)cc(CN3CCCC3)c2)cc1)C(F)(F)F)C(F)(F)F,IEUULARUZYOGCN-UHFFFAOYSA-N
-rxn:4:173802:225607,CC(c1ccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)s1)N1CCCCC1,PKQNLEZXOGSXNV-UHFFFAOYSA-N
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-rxn:4:173914:223569,COC(=O)CC(=O)c1ccc(-c2cnc3c(ccn3[Si](C(C)C)(C(C)C)C(C)C)c2F)c(OC)c1,JFWQUXIHIWFDMY-UHFFFAOYSA-N
-rxn:4:173926:222635,C#Cc1cc(F)c(OC(C)C(=O)OC)c(-c2cccc([C@H](C)NC(=O)OC(C)(C)C)c2)c1,ZEPSNMHTYXPUHA-VYRBHSGPSA-N
-rxn:4:174100:222725,CCNS(=O)(=O)c1ccc(-c2ccc(C(C)(C(=O)OC)C(=O)OC)cc2)c(C(F)(F)F)c1,QYZOJQHDJKLESM-UHFFFAOYSA-N
-rxn:4:174169:224806,CN(C1CC1)S(=O)(=O)c1ccc(-c2cc(OC(F)(F)F)cc(C(=O)OC(C)(C)C)c2)c(F)c1,AAKHPAYWDOXHQE-UHFFFAOYSA-N
-rxn:4:174406:222637,COC(=O)C1(c2ccc(-c3ccc(C(C)NC(=O)OC(C)(C)C)cc3)cc2)CC(OC)(OC)C1,ADKUKUIDVJTTEY-UHFFFAOYSA-N
-rxn:4:174429:224486,CC(C)N(C(=O)c1cccc(-c2cccc(OC(C)(C)C(=O)OC(C)(C)C)c2)c1)C(C)C,LFVVTXBEMYJEJA-UHFFFAOYSA-N
-rxn:4:174437:224716,CN(C(=O)OC(C)(C)C)c1ccc(-c2cc(CC3(C(=O)OC(C)(C)C)CC3)ccc2F)cn1,PILPKTOSHNVSAG-UHFFFAOYSA-N
-rxn:4:174493:223179,CONC(=O)c1cc(-c2cc(C(=O)CCCC3OCC(C)(C)CO3)ccc2Cl)ccc1F,RURLQGUYYWYGFA-UHFFFAOYSA-N
-rxn:4:174514:223767,CC(C)[Si](Oc1cccc(-c2cc3ccc(C#N)cc3n2C(=O)OC(C)(C)C)c1)(C(C)C)C(C)C,HKHHIQKNZBBJSW-UHFFFAOYSA-N
-rxn:4:174516:222638,CC(NC(=O)OC(C)(C)C)c1cccc(-c2ccccc2O[Si](C(C)C)(C(C)C)C(C)C)c1,HELHXZONVOUJHD-UHFFFAOYSA-N
-rxn:4:174516:224728,COc1cc(-c2ccccc2O[Si](C(C)C)(C(C)C)C(C)C)c(C(=O)OC(C)(C)C)cn1,RZBGZRCFQBNHJV-UHFFFAOYSA-N
-rxn:4:174656:224289,CC(C)[Si](C#Cc1cccc2cccc(-c3ccc(N(C)C(=O)OC(C)(C)C)cc3F)c12)(C(C)C)C(C)C,XBLKDEYVAPDVAM-UHFFFAOYSA-N
-rxn:4:174860:223559,CCOC(=O)Cc1cc(Cl)ccc1-c1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)OC(C)(C)C,AECPDLUDPXAHHM-UHFFFAOYSA-N
-rxn:4:174984:223559,COC(=O)Cc1cc(OC)ccc1-c1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)OC(C)(C)C,HFWRPWYODYSZDP-UHFFFAOYSA-N
-rxn:4:175090:224416,CS(=O)(=O)OC(c1ccc(-c2cnc(C(F)(F)C(F)(F)C(F)(F)F)nc2)cc1)C(F)(F)F,HKQWKFZULXKHBC-UHFFFAOYSA-N
-rxn:4:175265:223842,CCS(=O)(=O)c1cc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC(C)CC2)ccc1C(=O)OC,ZCBOGFIEXJANBE-UHFFFAOYSA-N
-rxn:4:175661:222912,CC(C)CNS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)cc(C(=O)OC(C)(C)C)c2F)cc1,WOMNPTNGICFJGM-UHFFFAOYSA-N
-rxn:4:175717:223569,COc1ccc(-c2cnc3c(ccn3[Si](C(C)C)(C(C)C)C(C)C)c2F)cc1C(=O)OC(C)(C)C,UFDPAENGYQFLRS-UHFFFAOYSA-N
-rxn:4:175868:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3cc(C(=O)OC(C)C)cc(C(C)C)c3)cc21,UVSNBGUWCLTWHB-UHFFFAOYSA-N
-rxn:4:176121:223567,CC(C)Oc1ccc2c(c1)cc(-c1cc(C(=O)OC(C)(C)C)cc(-c3cccc(F)c3F)c1)n2C(=O)OC(C)(C)C,QMABUKDXWNQIDQ-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:4:176275:223569,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(F)c(-c3ccccc3C=C3Oc4cc(OS(=O)(=O)c5ccccc5)ccc4C3=O)cnc21,BXKXJDUJVBXWFN-UHFFFAOYSA-N
-rxn:4:176307:223179,CONC(=O)c1cc(-c2cccc(C=C3Oc4cc(OC(=O)C5CCCCC5)ccc4C3=O)c2)ccc1F,JMYVLLDGSRUHEJ-UHFFFAOYSA-N
-rxn:4:176307:226844,O=C1C(=Cc2cccc(-c3ccnc(C(=O)C(F)(F)F)c3)c2)Oc2cc(OC(=O)C3CCCCC3)ccc21,AFMHTBMIBWAELH-UHFFFAOYSA-N
-rxn:4:176308:223179,CONC(=O)c1cc(-c2ccccc2C=C2Oc3cc(OC(=O)C4CCCCC4)ccc3C2=O)ccc1F,NBKLAPVSQDNVAK-UHFFFAOYSA-N
-rxn:4:177690:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3ccc(OC(=O)C(C)(C)C)cc3)cc21,ZSXAYYCRGCJOIQ-UHFFFAOYSA-N
-rxn:4:177705:223559,COC(=O)c1ccc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)c(C(C)C)c1,DCXPXJVYFOIRKT-UHFFFAOYSA-N
-rxn:4:177857:222725,CCNS(=O)(=O)c1ccc(-c2cc(C(=O)OC)cc(C3(C)CC3(F)F)c2)c(C(F)(F)F)c1,QHMMVPCQBNYDKP-UHFFFAOYSA-N
-rxn:4:178175:223567,COC(=O)C1(c2ccc(-c3cc4cc(OC(C)C)ccc4n3C(=O)OC(C)(C)C)cc2)CCCC1,DWQCDRIKKGTDKQ-UHFFFAOYSA-N
-rxn:4:178384:227556,COc1cc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)cc(OC)c1F,IEIBLYHRKHBCPV-UHFFFAOYSA-N
-rxn:4:178384:228226,Cc1c(Cl)cc(C#N)cc1-c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1,NKNXZLUOYJLBAZ-UHFFFAOYSA-N
-rxn:4:178384:228938,Cc1cnc(Cl)c(F)c1-c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1,AZTOWOSPBUXIKH-UHFFFAOYSA-N
-rxn:4:178509:223559,COC(=O)C1(c2ccc3cc(-c4ccc5c(c4)C(C)=CC(C)(C)N5C(=O)OC(C)(C)C)ccc3c2)CC1,ONOOPXXHUGIPSV-UHFFFAOYSA-N
-rxn:4:178597:226137,CC(C)c1ncc(C2CC2)cc1-c1ccc(OC(=O)C2OC3OC(C)(C)OC3C3OC(C)(C)OC23)cc1,YVBZGCUQKSXEHL-UHFFFAOYSA-N
-rxn:4:178597:227969,Cc1nccc(-c2ccc(OC(=O)C3OC4OC(C)(C)OC4C4OC(C)(C)OC34)cc2)c1C1CC1,HBDDMIUABMIMON-UHFFFAOYSA-N
-rxn:4:180530:222523,CC(C)(C)NS(=O)(=O)c1ccc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c(C(F)(F)F)c1,DJQICEPSNJQIOG-UHFFFAOYSA-N
-rxn:4:180792:222846,CCOC1CCC2(CC1)Cc1ccc(-c3cc(C4CCCNC4)ccc3C#N)cc1C2=O,IMUGNUAJSRGKJL-UHFFFAOYSA-N
-rxn:4:182374:224287,CCN(CC)S(=O)(=O)c1c(C)cc(-c2cc3c(cc2C(C)=O)C(C)(C)CCC3(C)C)cc1C,BKXCAXNWKDERAI-UHFFFAOYSA-N
-rxn:4:183261:223976,O=C1CCC2(CC1)Cc1ccc(-c3cc(OC4CCCC4)cc(OC(F)(F)F)c3)cc1C2=O,JVCNVIHHNWVDEL-UHFFFAOYSA-N
-rxn:4:183272:223179,CONC(=O)c1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCO3)ccc1F,HGZHGYHZFNHAAB-UHFFFAOYSA-N
-rxn:4:183272:226844,O=C(c1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCO3)ccn1)C(F)(F)F,NVKCWQOWSFFZHF-UHFFFAOYSA-N
-rxn:4:183273:226713,COCCOc1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c(F)cn1,RYDGUTPRBGKQMR-UHFFFAOYSA-N
-rxn:4:183273:228903,COc1ncc(Cl)cc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,DJZDBWKGCKRMCN-UHFFFAOYSA-N
-rxn:4:183273:229238,CSc1sccc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,JTPGISUXBYSJBJ-UHFFFAOYSA-N
-rxn:4:183517:225327,CCCOc1ncc(C(F)(F)F)cc1-c1c(C#N)ccc(C(F)(F)F)c1CC(=O)OCC,CYDNSIQTBSXQKC-UHFFFAOYSA-N
-rxn:4:183632:224607,CCN(CC)C(=O)c1cc(OC(F)F)cc(-c2ccc(C(=O)OCC[Si](C)(C)C)cc2)c1,PTTDKWQSMNKEFD-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:4:183668:222758,Cc1cc(-c2ccc(C(=O)C(C#N)C(=O)OC(C)(C)C)cc2)ccc1NC(=O)OC(C)(C)C,PTEXCPHLXZBMLI-UHFFFAOYSA-N
-rxn:4:183668:223054,CC(c1ccc(-c2ccc(C(=O)C(C#N)C(=O)OC(C)(C)C)cc2)s1)N1CCC(O)C1,UHZZFSAFOWQIBF-UHFFFAOYSA-N
-rxn:4:183681:222725,CCNS(=O)(=O)c1ccc(-c2ccc(C(C#N)CC(=O)OC(C)(C)C)cc2)c(C(F)(F)F)c1,MPAIMRDFOBEXPD-UHFFFAOYSA-N
-rxn:4:183681:223570,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc(C(C#N)CC(=O)OC(C)(C)C)cc3)c(F)ncc21,GAXJBDIPUOUXLT-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:4:183694:226844,COC(=O)C1CN(Cc2cc(OC(F)(F)F)cc(-c3ccnc(C(=O)C(F)(F)F)c3)c2)C1,PMKLLFTVNZIQJK-UHFFFAOYSA-N
-rxn:4:183710:223557,CCN(CC)Cc1cc(C(=O)OC)cc(-c2c(F)ccc3c2ccn3[Si](C(C)C)(C(C)C)C(C)C)c1,FAQIXEHSOSYVMC-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:4:183797:223179,CCCCN(C(=O)c1ccc(-c2ccc(F)c(C(=O)NOC)c2)o1)C1CCS(=O)(=O)C1,HEASYBNGPXSZAJ-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:4:183800:223179,CONC(=O)c1cc(-c2cc(CN(C)C(=O)OC(C)(C)C)cc(C(F)(F)F)c2)ccc1F,PNBCDLGJQZWEQR-UHFFFAOYSA-N
-rxn:4:183804:226844,O=C(c1cc(-c2cc(OC(F)(F)F)ccc2OCCN2CCCCC2)ccn1)C(F)(F)F,WFIPXRJHFRJJPI-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:4:183808:226844,O=C(c1cc(-c2ccc(OC(F)(F)F)cc2OCCN2CCC(F)(F)CC2)ccn1)C(F)(F)F,PRCLDUJAMPXDQC-UHFFFAOYSA-N
-rxn:4:183809:226844,O=C(c1cc(-c2cc(OC(F)(F)F)ccc2OCCN2CCCC(F)(F)C2)ccn1)C(F)(F)F,INWDVCITGTUKER-UHFFFAOYSA-N
-rxn:4:183834:226762,CSc1cc(-c2ccccc2S(=O)(=O)N(C(=O)OC(C)(C)C)C2CC2)cc(C(F)(F)F)c1,IBAXSEGGQMJLJD-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:4:183875:226844,CC(C)(C)OC(=O)N1CC(COc2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2Cl)C1,IGJZGVSDELTSEA-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:4:183878:223179,CONC(=O)c1cc(-c2cc(Cl)cc(OCC3CN(C(=O)OC(C)(C)C)C3)c2)ccc1F,RUZKQLOMHMZNRY-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:4:183882:223179,CONC(=O)c1cc(-c2cc(OCC3CN(C(=O)OC(C)(C)C)C3)ccc2F)ccc1F,HCEWGGWLQGFZCZ-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:4:183884:223179,CONC(=O)c1cc(-c2cccc(F)c2OCC2CN(C(=O)OC(C)(C)C)C2)ccc1F,IMWNVDRMAKDCPN-UHFFFAOYSA-N
-rxn:4:183886:226844,O=C(c1cc(-c2ccccc2OCCCN2CCC(C(F)(F)F)CC2)ccn1)C(F)(F)F,YHNIMENHYQSSCR-UHFFFAOYSA-N
-rxn:4:183890:223137,CC(C)(C)OC(=O)N1CC(COc2c(F)cc(-c3cncc(C4CCCNC4)c3)cc2F)C1,VVCPDFUNBYZWSK-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:4:183890:226844,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:4:183894:223279,Fc1cccc(-c2cnc(C3CCCN3)nc2)c1OCCCN1CCC(C(F)(F)F)CC1,JCAGTOGQZFFYEX-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:4:183910:226844,COC(=O)c1cc(OCCN2CCOC(C)C2)cc(-c2ccnc(C(=O)C(F)(F)F)c2)c1,PJQIXOHUCZMCNF-UHFFFAOYSA-N
-rxn:4:183912:223179,CONC(=O)c1cc(-c2ccc(OC(F)(F)F)cc2OCCN2CCC(C)CC2)ccc1F,RFIMYMRHPSXPOY-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:4:183915:223179,CONC(=O)c1cc(-c2cc(OC(F)(F)F)ccc2OCCN2CCC(C)CC2)ccc1F,JTMPTHSQUWEANA-UHFFFAOYSA-N
-rxn:4:183921:224893,CC(=O)Oc1ccc(N(C(C)=O)S(=O)(=O)c2ccc(-c3cc(C(C)(C)C)nc(C(C)(C)C)c3)cc2)c(C)c1,NZCRMGHWSVNXNI-UHFFFAOYSA-N
-rxn:4:183922:225348,COC(=O)c1ccc(C(F)(F)F)cc1-c1cc(N(C(C)=O)S(=O)(=O)c2ccc(C)cc2)ccc1OC(C)=O,ZCYKLEXCOBXKKN-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:4:183937:226844,CC(C)(C)OC(=O)N(Cc1ccc(F)cc1-c1ccnc(C(=O)C(F)(F)F)c1)C1CCC1,BCODDPUFOYAEQC-UHFFFAOYSA-N
-rxn:4:183941:225936,CCCCN(C1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(-c2cc(C(F)(F)F)cnc2C(C)C)cc1,OLWYKXANTZZMIJ-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:4:183943:222833,CC(C)CCC(=O)Nc1cccc(-c2ccc(S(=O)(=O)CC3CN(C(=O)OC(C)(C)C)C3)cc2)c1,AHPNXELFZUMSJC-UHFFFAOYSA-N
-rxn:4:183957:223179,CONC(=O)c1cc(-c2cccc(OCC3CCN(C(=O)OC(C)(C)C)C3)c2)ccc1F,RQWQELDVULWDQF-UHFFFAOYSA-N
-rxn:4:183960:226844,Cc1cc(OCC2CN(C(=O)OC(C)(C)C)C2)ccc1-c1ccnc(C(=O)C(F)(F)F)c1,YMVVZTNPZISEES-UHFFFAOYSA-N
-rxn:4:183964:226844,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:4:183970:226844,CCOC(=O)C1CCN(S(=O)(=O)c2cc(-c3ccnc(C(=O)C(F)(F)F)c3)ccc2OC)CC1,DOZYIKFNFANJSL-UHFFFAOYSA-N
-rxn:4:183973:224719,COc1ccc(CN(C(C)C)S(=O)(=O)c2cccc(-c3cn(C(=O)OC(C)(C)C)nc3C(C)C)c2)cc1,MAIUQPPGMFURLD-UHFFFAOYSA-N
-rxn:4:183986:223098,CC(=O)NS(=O)(=O)c1ccc(-c2cc(C)c(F)c(CN(C(=O)OC(C)(C)C)C(C)C)c2)cc1,QAWOHFRJWGRJBW-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:4:183998:226844,CC(C)(C)OC(=O)N(Cc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1F)C1CCCC1,UYJWWWDYXFWZRV-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:4:184004:226844,COc1ccc(CCN2C(=O)C(=Cc3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3)SC2=S)cc1OC,KKZLBLRIEXVUEN-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:4:184010:223179,CCOc1ccc(-c2ccc(F)c(C(=O)NOC)c2)cc1S(=O)(=O)N(CC)C1CCCCC1,DZXUYKZIBKIGHI-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:4:184014:223279,CC(C)(C)OC(=O)N1CCC(COc2cccc(-c3cnc(C4CCCN4)nc3)c2)CC1,AUVANEISIHHROU-UHFFFAOYSA-N
-rxn:4:184018:223279,CC(C)(C)OC(=O)N1CCC(COc2ccccc2-c2cnc(C3CCCN3)nc2)CC1,VFNCUYREMAIECF-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:4:184023:223179,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:4:184025:226844,CC(C)(C)OC(=O)N1CCC(COc2cc(-c3ccnc(C(=O)C(F)(F)F)c3)ccc2Cl)CC1,HXGAICOSSKVXJC-UHFFFAOYSA-N
-rxn:4:184026:226844,CC(C)(C)OC(=O)N1CCCC(COc2cc(-c3ccnc(C(=O)C(F)(F)F)c3)ccc2Cl)C1,PMRWVSVKWDVKHR-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:4:184028:223279,CC(C)(C)OC(=O)N1CCC(OCc2ccc(-c3cnc(C4CCCN4)nc3)cc2F)CC1,CMYWKGJAEOAIQC-UHFFFAOYSA-N
-rxn:4:184029:223179,CONC(=O)c1cc(-c2cccc(OCC3CCN(C(=O)OC(C)(C)C)CC3)c2F)ccc1F,SYUURINOYKKKJK-UHFFFAOYSA-N
-rxn:4:184030:226844,CC(C)(C)OC(=O)N1CCC(COc2cccc(F)c2-c2ccnc(C(=O)C(F)(F)F)c2)CC1,DNIMBOOMSDCYSK-UHFFFAOYSA-N
-rxn:4:184031:223179,CONC(=O)c1cc(-c2cc(F)cc(OCC3CCCN(C(=O)OC(C)(C)C)C3)c2)ccc1F,DXYLKCVEIYIVAX-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:4:184054:226844,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:4:184055:226844,COc1cc(-c2ccnc(C(=O)C(F)(F)F)c2)ccc1OC1CCN(C(=O)OC(C)(C)C)CC1,WDJGADWUUDPRKW-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:4:184063:223179,CONC(=O)c1cc(-c2ccc(CN(C(=O)OC(C)(C)C)C3CCCC3)c(C)c2)ccc1F,JXGISNWZTSQITF-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:4:184065:226844,CC(C)(C)OC(=O)N(Cc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1)C1CCCCC1,LVSFZJNDFSHWHJ-UHFFFAOYSA-N
-rxn:4:184066:223179,CONC(=O)c1cc(-c2c(Cl)cccc2CN(C(=O)OC(C)(C)C)C2CCCCC2)ccc1F,FDADOPRPAXBBNR-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:4:184070:227052,COC(=O)C1(c2ccc(-c3ccc(SC(C)(C)C)cc3)cc2C)CCN(C(=O)OC(C)(C)C)C1,DZELBKLSPRSMTO-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:4:184073:223179,CONC(=O)c1cc(-c2cccc(S(=O)(=O)CC3CCCN(C(=O)OC(C)(C)C)C3)c2)ccc1F,JBEDHCVCKTVSBT-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:4:184084:223179,CONC(=O)c1cc(-c2c(C)cccc2OCC2CCN(C(=O)OC(C)(C)C)CC2)ccc1F,ASILYNDPUVZJOS-UHFFFAOYSA-N
-rxn:4:184085:223179,CONC(=O)c1cc(-c2cccc(OCC3CCN(C(=O)OC(C)(C)C)CC3)c2C)ccc1F,SBBKNLKJORVKJL-UHFFFAOYSA-N
-rxn:4:184090:223179,CONC(=O)c1cc(-c2cc(C(=O)OC)cc(C3CCN(C(=O)OC(C)(C)C)CC3C)c2)ccc1F,DHISCJDDCNOPIZ-UHFFFAOYSA-N
-rxn:4:184090:223279,COC(=O)c1cc(-c2cnc(C3CCCN3)nc2)cc(C2CCN(C(=O)OC(C)(C)C)CC2C)c1,JWECLTTUMNZQMQ-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:4:184094:223932,CC(C)c1ccc(CN(C(=O)c2ccccc2-c2cc3c(Cl)cccc3n2C(=O)OC(C)(C)C)C2CCS(=O)(=O)C2)cc1,DCJCWBNYBUWQBJ-UHFFFAOYSA-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:4:184096:223279,CC1(C)CCC(N(Cc2ccc(-c3cnc(C4CCCN4)nc3)cc2)C(=O)OC(C)(C)C)CC1,FYUWGJYUWFBOHE-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:4:184099:223279,CC(c1ccc(-c2cnc(C3CCCN3)nc2)cc1)N(C(=O)OC(C)(C)C)C1CCC(C)(C)CC1,FZUZHLHCMWKUGJ-UHFFFAOYSA-N
-rxn:4:184099:228624,CSc1cc(-c2ccc(C(C)N(C(=O)OC(C)(C)C)C3CCC(C)(C)CC3)cc2)ccc1C,NIAFDRZUZOBVPO-UHFFFAOYSA-N
-rxn:4:184132:222838,COC(=O)c1cc(-c2ccc(CNC(=O)C(C)(C)C)cc2)cc2c1ccn2CC(=O)OC(C)(C)C,BJVURONRCVAQFI-UHFFFAOYSA-N
-rxn:4:184181:223932,CC(C)N(Cc1ccc(-c2cc3c(Cl)cccc3n2C(=O)OC(C)(C)C)c2ccccc12)C(=O)OC(C)(C)C,YCWUNRDQEVNAOR-UHFFFAOYSA-N
-rxn:4:184181:225355,COC(=O)c1ccc(-c2ccc(CN(C(=O)OC(C)(C)C)C(C)C)c3ccccc23)c(C(F)(F)F)c1,QTZGWMZMOIJGCG-UHFFFAOYSA-N
-rxn:4:184183:226844,COc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1CCC(=O)N1C2CCC1CC(SC)C2,IFBBUDLMDKARMZ-UHFFFAOYSA-N
-rxn:4:184189:226844,COC(=O)C1CCN(C(=O)Cc2c(OC)ccc3cc(-c4ccnc(C(=O)C(F)(F)F)c4)ccc23)CC1,XXPXOSQHBSRZKO-UHFFFAOYSA-N
-rxn:4:184208:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2ccc(CN(C(=O)OC(C)(C)C)C3CCCC3)c3ccccc23)cc1,WSVVACCHUGQCDH-UHFFFAOYSA-N
-rxn:4:184215:223179,CONC(=O)c1cc(-c2ccc(CN(C(=O)OC(C)(C)C)C3CCOCC3)c3ccccc23)ccc1F,AVFIIVHSHOECOE-UHFFFAOYSA-N
-rxn:4:184216:223279,CC(C)(C)OC(=O)N1CCC(COc2cc(-c3cnc(C4CCCN4)nc3)c3ccccc3c2)CC1,PCCHXHXBWDJTGV-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:4:184219:223279,CC(C)(C)OC(=O)n1c(-c2cnc(C3CCCN3)nc2)cc2cc(O[Si](C)(C)C(C)(C)C)ccc21,OVEASDKDXVNLDR-UHFFFAOYSA-N
-rxn:4:184219:226995,CC(C)CSc1ccc(-c2cc3cc(O[Si](C)(C)C(C)(C)C)ccc3n2C(=O)OC(C)(C)C)cc1,NQCXKUJXZHALJH-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:4:184225:226844,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:4:184693:222829,CNS(=O)(=O)c1ccc(-c2cc(OC(F)(F)F)cc(S(=O)(=O)C(C)(C)C#N)c2)c(C(F)(F)F)c1,ABQULUBPOFMNDJ-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:4:184894:226844,CCOC(=O)CN1C(=O)C(=Cc2cccc(-c3ccnc(C(=O)C(F)(F)F)c3)c2)SC1=S,PRSSPFDXIJERLL-UHFFFAOYSA-N
-rxn:4:184929:223179,CONC(=O)c1cc(-c2ccc(OCC(F)(F)F)c(C(=O)N3CCOCC3)c2)ccc1F,NJMOWSZWHKAERB-UHFFFAOYSA-N
-rxn:4:184931:223179,CONC(=O)c1cc(-c2cc(C=C3SC(=S)N(CC(=O)OC)C3=O)ccc2OC)ccc1F,NKZLWAIEQZWOMU-UHFFFAOYSA-N
-rxn:4:184964:223098,CC(=O)NS(=O)(=O)c1ccc(-c2cc(N(C)C(=O)OC(C)(C)C)cc(C(F)(F)F)c2)cc1,LYXPUQGHAILVIG-UHFFFAOYSA-N
-rxn:4:184965:226716,CN(C(=O)OC(C)(C)C)c1cc(-c2ccn(C(=O)OC(C)(C)C)n2)ccc1C(F)(F)F,NLPDGABIOSRJEK-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:4:185002:223179,CONC(=O)c1cc(-c2cccc(OCC(=O)N3CCCC(C(F)(F)F)C3)c2)ccc1F,UUNSWFLJVNZUDK-UHFFFAOYSA-N
-rxn:4:185005:223064,O=C(COc1ccc(-c2ccc(C3CCNCC3)nc2F)cc1)N1CCCC(C(F)(F)F)C1,BPKSNZDMXGDIFS-UHFFFAOYSA-N
-rxn:4:185020:223866,CC(C)N(C(=O)Cc1ccccc1-c1ccccc1CN1C(C)(C)CCCC1(C)C)C(C)C,DLDSIPYYGMLYNV-UHFFFAOYSA-N
-rxn:4:185085:223818,Cc1ccc(CN(C)C(=O)OC(C)(C)C)c(-c2c(F)cc(F)c3c2ccn3C(=O)OC(C)(C)C)c1,RQGHJYKKSSFILD-UHFFFAOYSA-N
-rxn:4:185094:222636,COc1ccc(C(=O)N(C(C)C)C(C)C)c(-c2ccc([C@@H](C)NC(=O)OC(C)(C)C)cc2)c1,NBTDUOQILYEKLV-LJQANCHMSA-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:4:185116:223179,CONC(=O)c1cc(-c2ccccc2S(=O)(=O)CC(=O)N2CCC(C(F)(F)F)CC2)ccc1F,VONTUVAQIPVOOM-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:4:185117:223279,O=C(CS(=O)(=O)c1cccc(-c2cnc(C3CCCN3)nc2)c1)N1CCCC(C(F)(F)F)C1,XTDGUFWAXHJUFE-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:4:185143:226844,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:4:185147:226844,CC(C)CS(=O)(=O)C1CN(S(=O)(=O)c2ccccc2-c2ccnc(C(=O)C(F)(F)F)c2)C1,SIOLTHUVGFIHDY-UHFFFAOYSA-N
-rxn:4:185148:222985,Cc1nc(C2CCCNC2)ccc1-c1ccc(S(=O)(=O)C2CN(C(=O)OC(C)(C)C)C2)cc1,VFKWCTQXJZKBEY-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:4:185154:226844,COC(=O)c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1CN1CCCC(C(F)(F)F)C1,ASADULQIFFZDJW-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:4:185160:226844,COC(=O)c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)c(CN2CCCC(C(F)(F)F)C2)c1,YGWPAZVNTDDJDD-UHFFFAOYSA-N
-rxn:4:185162:223179,CONC(=O)c1cc(-c2ccc(C(F)(F)F)cc2C2CN(C(=O)OC(C)(C)C)C2)ccc1F,GCPAGWIDZPXBRN-UHFFFAOYSA-N
-rxn:4:185162:223279,CC(C)(C)OC(=O)N1CC(c2cc(C(F)(F)F)ccc2-c2cnc(C3CCCN3)nc2)C1,IQVFVTMUQOUWLF-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:4:185163:223279,CC(C)(C)OC(=O)N1CC(c2cc(-c3cnc(C4CCCN4)nc3)cc(C(F)(F)F)c2)C1,LODMCYJRGOMQLH-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:4:185166:223179,CONC(=O)c1cc(-c2cc(C3CN(C(=O)OC(C)(C)C)C3)ccc2C(F)(F)F)ccc1F,SABLXSILHQCIRD-UHFFFAOYSA-N
-rxn:4:185187:223823,COC1CCN(CCCc2ccccc2-c2cnn(C3CCN(C(=O)OC(C)(C)C)CC3)c2)CC1,FOOFLGAWBAWCHJ-UHFFFAOYSA-N
-rxn:4:185196:222725,CCNS(=O)(=O)c1ccc(-c2cc(C3CN(C(=O)OC(C)(C)C)C3)ccc2OC)c(C(F)(F)F)c1,KQVBPHHESGGRAW-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:4:185225:226844,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:4:185243:226892,CC(C)CN(C(=O)c1ccc(-c2cc(F)cc(C(F)(F)F)c2Cl)cc1)C1CCS(=O)(=O)C1,UNYSUEUBOMMTOK-UHFFFAOYSA-N
-rxn:4:185244:223538,CC(C)CN(C(=O)c1cccc(-c2ccnc3c2cc(C(F)F)n3S(=O)(=O)c2ccccc2)c1)C1CCS(=O)(=O)C1,JZGVXNVGPMPMJQ-UHFFFAOYSA-N
-rxn:4:185265:225223,CC1CCN(c2cc(F)c(-c3cccc(C4CN(CC(=O)OC(C)(C)C)C(=O)CO4)c3)cn2)CC1,PELHJMGFWJPMMP-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:4:185268:223179,CONC(=O)c1cc(-c2cccc(S(=O)(=O)C3CCN(C(=O)OC(C)(C)C)C3)c2)ccc1F,HMFMSBSNEYYWPD-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:4:185303:226844,CCOc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1S(=O)(=O)N(C)C1CCCCC1,VKKOGCBUQMPHMD-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:4:185305:226844,CCOc1cc(S(=O)(=O)N2CCCCC2CC)ccc1-c1ccnc(C(=O)C(F)(F)F)c1,QIGOFBYWOAHSSQ-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:4:185310:223179,CONC(=O)c1cc(-c2ccc(SC3CCN(C(=O)OC(C)(C)C)CC3)cc2)ccc1F,IFNPNSRQHCZYDL-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:4:185313:223179,CONC(=O)c1cc(-c2ccccc2OC2CCN(C(=O)OC(C)(C)C)CC2)ccc1F,WTPIAGJSRDJVDA-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:4:185315:223179,CONC(=O)c1cc(-c2ccc(C3CC3)c(C3CN(C(=O)OC(C)(C)C)C3)c2)ccc1F,KKAGKXZZPOHTLE-UHFFFAOYSA-N
-rxn:4:185318:224078,CC(C)(C)OC(=O)N1CC(c2cc(-c3cccc4c3ccn4[Si](C)(C)C(C)(C)C)cc(C3CC3)c2)C1,SAZOMWUZXFYCRW-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:4:185319:226844,CC(C)(C)OC(=O)N1CC(c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2C2CC2)C1,YQZFPISRFJFAMI-UHFFFAOYSA-N
-rxn:4:185321:223279,CC(C)(C)OC(=O)N1CCC(Oc2ccc(Cl)c(-c3cnc(C4CCCN4)nc3)c2)CC1,LURMAVUQXMYPNN-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:4:185322:226844,CC(C)(C)OC(=O)N1CCC(Oc2cc(-c3ccnc(C(=O)C(F)(F)F)c3)ccc2Cl)CC1,LSPOYCKVHYZBHR-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:4:185344:226844,COc1cc(C=C2SC(=S)N(c3ccccc3-c3ccnc(C(=O)C(F)(F)F)c3)C2=O)cc(OC)c1OC,WCYAIUDJWDKRPE-UHFFFAOYSA-N
-rxn:4:185347:226844,CCC1CCCCN1S(=O)(=O)c1cc(OC)c(-c2ccnc(C(=O)C(F)(F)F)c2)cc1OC,LVKFRUJWJPJYPV-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:4:185350:226844,CC(C)CS(=O)(=O)C1CCN(C(=O)c2cccc(-c3ccnc(C(=O)C(F)(F)F)c3)c2)CC1,IIDXUWBCFGPHAS-UHFFFAOYSA-N
-rxn:4:185351:224842,CC(C)CS(=O)(=O)C1CCN(C(=O)c2ccccc2-c2ccc3c(c2)C(C)(C)CCC3(C)C)CC1,NDPJOOVGFRYPTK-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:4:185352:223279,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:4:185354:223279,CC(C)(C)OC(=O)N1CCC(C(=O)c2ccccc2-c2cnc(C3CCCN3)nc2)CC1,ICFIJLWDOZMIET-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:4:185357:223279,CC(C)(C)OC(=O)N1CCC(C(=O)c2ccc(-c3cnc(C4CCCN4)nc3)cc2F)CC1,PDOJLHZWRSKKKR-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:4:185358:226844,CC(C)(C)OC(=O)N1CCC(C(=O)c2cccc(-c3ccnc(C(=O)C(F)(F)F)c3)c2F)CC1,ZJZLOERITCDTGB-UHFFFAOYSA-N
-rxn:4:185365:226844,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:4:185367:226844,CC1CCN(C(=O)COc2ccc(C(C)C)cc2-c2ccnc(C(=O)C(F)(F)F)c2)CC1,AUVIGKDNKYGRAE-UHFFFAOYSA-N
-rxn:4:185370:223179,CONC(=O)c1cc(-c2ccc(C(=O)OC(C)CN3C(C)CCCC3C)cc2)ccc1F,WTNSQIGWXHFWAZ-UHFFFAOYSA-N
-rxn:4:185371:222638,CC(NC(=O)OC(C)(C)C)c1cccc(-c2ccc(CC3CCN(C(=O)OC(C)(C)C)CC3)cc2)c1,JRMRXRABUTXUKB-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:4:185374:223179,CONC(=O)c1cc(-c2ccc(CC(=O)N3CC(S(=O)(=O)C4CCCCC4)C3)cc2)ccc1F,CUAWGCLJMQITGL-UHFFFAOYSA-N
-rxn:4:185374:223279,O=C(Cc1ccc(-c2cnc(C3CCCN3)nc2)cc1)N1CC(S(=O)(=O)C2CCCCC2)C1,IIJGPBQWOWFSCZ-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:4:185377:223279,CC(C)(C)OC(=O)N1CCC(S(=O)(=O)c2ccc(-c3cnc(C4CCCN4)nc3)cc2)CC1,FLZFWKZEEMXRKU-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:4:185383:226844,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:4:185385:223179,CONC(=O)c1cc(-c2cc(C3CCN(C(=O)OC(C)(C)C)CC3)ccc2C(F)(F)F)ccc1F,WJZJVDFAPTULRW-UHFFFAOYSA-N
-rxn:4:185403:223279,COc1cc(-c2cnc(C3CCCN3)nc2)cc(C2CCCN(C(=O)OC(C)(C)C)C2)c1,HDGMPWROYMLKIT-UHFFFAOYSA-N
-rxn:4:185405:223179,CONC(=O)c1cc(-c2cc(C3CC3)ccc2C2CCN(C(=O)OC(C)(C)C)C2)ccc1F,FHWRMOCVNOQLAM-UHFFFAOYSA-N
-rxn:4:185409:223279,CC(C)(C)OC(=O)N1CCC(c2cc(-c3cnc(C4CCCN4)nc3)cc(C3CC3)c2)C1,UEBYCKVCSGMWQM-UHFFFAOYSA-N
-rxn:4:185410:223279,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3cnc(C4CCCN4)nc3)c(C3CC3)c2)C1,BPPPHUPEZPPZOI-UHFFFAOYSA-N
-rxn:4:185414:223279,Cc1cc(Cl)cc(-c2cnc(C3CCCN3)nc2)c1OC1CCN(C(=O)OC(C)(C)C)CC1,WXFWUQIOAFADFS-UHFFFAOYSA-N
-rxn:4:185414:226844,Cc1cc(Cl)cc(-c2ccnc(C(=O)C(F)(F)F)c2)c1OC1CCN(C(=O)OC(C)(C)C)CC1,WSQAPCWTYLBCTA-UHFFFAOYSA-N
-rxn:4:185433:223179,CONC(=O)c1cc(-c2cc(C3CC3)cc(C3CCN(C(=O)OC(C)(C)C)CC3)c2)ccc1F,REGAGYJXVISYMF-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:4:185434:223279,COc1cc(-c2cnc(C3CCCN3)nc2)cc(C2CCN(C(=O)OC(C)(C)C)CC2C)c1,YZLDQLXTPFEIAB-UHFFFAOYSA-N
-rxn:4:185439:223279,CC1CN(C(=O)OC(C)(C)C)CCC1c1cc(-c2cnc(C3CCCN3)nc2)cc(C2CC2)c1,VDAKHFBWSRCGAL-UHFFFAOYSA-N
-rxn:4:185440:223179,CONC(=O)c1cc(-c2ccc(S(=O)(=O)N3CCC(O[Si](C)(C)C(C)(C)C)CC3)cc2F)ccc1F,OELPQLAXOYXYHD-UHFFFAOYSA-N
-rxn:4:185441:223179,CONC(=O)c1cc(-c2ccc(C3(c4ccc(Cl)cc4)CCN(C(=O)OC(C)(C)C)CC3)cc2)ccc1F,HWRSMETWMBAKIW-UHFFFAOYSA-N
-rxn:4:185442:223279,CC1CN(C(=O)OC(C)(C)C)CCC1c1cc(-c2cnc(C3CCCN3)nc2)cc(C2COC2)c1,MOCPCUPGAYZNHV-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:4:185449:223567,CC(C)Oc1ccc2c(c1)cc(-c1ccc(N(c3ccc(C(C)(C)C)cc3)c3ccc(C(C)(C)C)cc3)cc1)n2C(=O)OC(C)(C)C,QRXZPYLENFMVTF-UHFFFAOYSA-N
-rxn:4:185493:222646,COC(=O)c1ccc2c(-c3c(C)cc(NC(=O)OC(C)(C)C)cc3C)cn(C(=O)OC(C)(C)C)c2c1,LHWSPKYTGXZOIS-UHFFFAOYSA-N
-rxn:4:185508:223557,CCOC(=O)c1c(-c2c(F)ccc3c2ccn3[Si](C(C)C)(C(C)C)C(C)C)c2cc(Cl)ccc2n1S(=O)(=O)c1ccccc1,AVLAKSKUUKAJOG-UHFFFAOYSA-N
-rxn:4:185511:223179,CONC(=O)c1cc(-c2cc(C(=O)OC)cc3c2CCN3C(=O)OC(C)(C)C)ccc1F,GZUIBNZBQSKPOK-UHFFFAOYSA-N
-rxn:4:185527:226844,COc1ccc(CCC(=O)N2C3C=CCC2CC3)cc1-c1ccnc(C(=O)C(F)(F)F)c1,WXRMEBYIQXGYBF-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:4:185546:223279,COC(=O)c1cc(-c2cnc(C3CCCN3)nc2)cc2c1OCCN(C(=O)OC(C)(C)C)C2,HUMIMXBRECNGKR-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:4:185547:226844,CCOC(=O)C1CCN(C(=O)c2cc3cc(-c4ccnc(C(=O)C(F)(F)F)c4)ccc3oc2=O)CC1,ZTTPFMRDCVJPCZ-UHFFFAOYSA-N
-rxn:4:185555:222787,CC(=O)c1c(C)oc2ccc(N(C(C)=O)S(=O)(=O)c3ccc(-c4ccc(NC(=O)OC(C)(C)C)cc4Cl)cc3)cc12,TUMQWAYVPXHYJR-UHFFFAOYSA-N
-rxn:4:185555:223569,CC(=O)c1c(C)oc2ccc(N(C(C)=O)S(=O)(=O)c3ccc(-c4cnc5c(ccn5[Si](C(C)C)(C(C)C)C(C)C)c4F)cc3)cc12,RMMRAXWBEVKLHP-UHFFFAOYSA-N
-rxn:4:185555:224408,CC(=O)c1c(C)oc2ccc(N(C(C)=O)S(=O)(=O)c3ccc(-c4cc(C(F)(F)F)nn4C(=O)OC(C)(C)C)cc3)cc12,BYTAEGWZJHWZMV-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:4:185626:223179,CONC(=O)c1cc(-c2cc(F)cc3c2C[C@](c2ccccc2)([C@@H]2CCCN2C(=O)OC(C)(C)C)O3)ccc1F,IBSSCFDLNMIIFM-DHIFEGFHSA-N
-rxn:4:185626:226844,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:4:185628:223179,CONC(=O)c1cc(-c2cccc(CN(C(=O)c3oc4cc(C)c(C)cc4c3C)C3CCS(=O)(=O)C3)c2)ccc1F,PAZLVKKPWFPOGJ-UHFFFAOYSA-N
-rxn:4:185630:223179,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:4:185630:226844,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:4:185647:227315,CC(C)Cc1cc(F)c(-c2ccc3c(c2)CC[C@H]2N(C(=O)OC(C)(C)C)CC[C@@]32S(=O)(=O)c2ccc(F)cc2)cn1,CDZJXEOKAVVARM-QLWXXVCSSA-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:4:185893:223898,COC(=O)c1c(-c2ccc(N(C(=O)OC(C)(C)C)C(C)C)cc2)ccc(C#N)c1C(F)F,DKFJTXCZZGQCAP-UHFFFAOYSA-N
-rxn:4:186542:222404,O=C1NC(=O)C(c2ccc(-c3ccc(C(F)(F)F)c(C(=O)ON4C(=O)CCC4=O)c3)cc2)N1,GWXJJWDWCPJTOQ-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:4:186751:226603,COC(=O)c1cc(F)c(C)c(-c2ccc(N(C(=O)C(F)(F)F)C3C=CS(=O)(=O)C3)cc2)c1,RSXWWBSJSMGAFG-UHFFFAOYSA-N
-rxn:4:186866:223557,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc(N(C)C(=O)OC(C)(C)C)cc3F)c(F)ccc21,MOQFJBUELQSENQ-UHFFFAOYSA-N
-rxn:4:186981:224807,CCC(=O)N(c1ccc(-c2cc(C(F)(F)F)cc(OC(C)C)c2F)cc1)C1C=CS(=O)(=O)C1,MUIFEGWFWYKSPI-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:4:187027:226844,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:4:187091:223179,CONC(=O)c1cc(-c2ccc(C(=O)C3CCN(C(=O)C(F)(F)F)CC3)cc2)ccc1F,BXZSCPBKXPZIJX-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:4:187092:223179,CONC(=O)c1cc(-c2cc(CN3CCC(F)(F)CC3)ccc2OC(F)(F)F)ccc1F,FBGJKUBQRSSAHF-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:4:187121:225992,CCN(C(=O)c1ccc(-c2cn(CC(C)C)nc2C(F)(F)F)cc1)C1CCS(=O)(=O)C1,VCPHRVOHBRURLI-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:4:187147:226844,O=C(Cc1cc(F)ccc1-c1ccnc(C(=O)C(F)(F)F)c1)N1CCC(C(F)(F)F)CC1,BCWVYBUXAGDPPO-UHFFFAOYSA-N
-rxn:4:187149:223179,CONC(=O)c1cc(-c2ccc(CC(=O)N3CCC(C(F)(F)F)CC3)cc2F)ccc1F,ZBNAHCINIUYYMU-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:4:187155:223179,CONC(=O)c1cc(-c2ccccc2S(=O)(=O)CC(=O)N2CCCC(F)(F)C2)ccc1F,JLVCCVXVIOPPHA-UHFFFAOYSA-N
-rxn:4:187192:223568,COC(=O)[C@@H]1CCCN1[C@@H](C)c1ccc(-c2cnc3c(ccn3[Si](C(C)C)(C(C)C)C(C)C)c2Cl)cc1,UXIJPZHGMCXLQS-CUNXSJBXSA-N
-rxn:4:187211:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2ccc(C3(F)CN(C(=O)OC(C)(C)C)C3)cc2)cc1,QQLUTHXOWBIEFV-UHFFFAOYSA-N
-rxn:4:187213:222912,CC(C)CNS(=O)(=O)c1ccc(-c2ccc(C3CN(C(=O)OC(C)(C)C)C3)c(F)c2)cc1,QEPALKQINQWNKU-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:4:187271:223179,CONC(=O)c1cc(-c2ccc(C(F)(F)F)cc2CN2CCC(C(F)(F)F)CC2)ccc1F,UQTGVEJQOJJOID-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:4:187276:227124,CC(C)(C)c1ccc(-c2cc(C(F)(F)F)cc(S(=O)(=O)N3CCC(C(F)(F)F)CC3)c2)c(F)c1,OGSGGXBCKYIMSX-UHFFFAOYSA-N
-rxn:4:187276:227402,CC(C)(C)c1cc(-c2cc(C(F)(F)F)cc(S(=O)(=O)N3CCC(C(F)(F)F)CC3)c2)cc(F)n1,CQVIQXAZAULBQW-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:4:187327:226844,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:4:187328:223179,CONC(=O)c1cc(-c2ccc(C3COS(=O)(=O)N3C(=O)OC(C)(C)C)cc2)ccc1F,PBQQENSZHGIJJZ-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:4:187388:226844,Cc1cc(CC(=O)N2CCC(C(F)(F)F)CC2)ccc1-c1ccnc(C(=O)C(F)(F)F)c1,FGJOETTUYIAIFQ-UHFFFAOYSA-N
-rxn:4:187447:223179,CONC(=O)c1cc(-c2ccccc2CCC(=O)N2CCC3(CC2)CC3(F)F)ccc1F,ZHQSVNVLEPBIKT-UHFFFAOYSA-N
-rxn:4:187466:224420,COc1ccc(C2SCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1-c1cc2c(cc1C)C(C)(C)CCC2(C)C,RPMQDEMTUZFOSO-UHFFFAOYSA-N
-rxn:4:187492:225947,CN1CCN(c2ncc(-c3cccc(C4CN(C(=O)OC(C)(C)C)CCO4)c3)cn2)CC1,OGKYQFHKRNDCGR-UHFFFAOYSA-N
-rxn:4:187507:223179,CONC(=O)c1cc(-c2cc(C3CN(C(=O)OC(C)(C)C)CCO3)ccc2F)ccc1F,PHEGEZOTMZMDHR-UHFFFAOYSA-N
-rxn:4:187552:226844,CCOc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1S(=O)(=O)N1CC(C)OC(C)C1,PWXGXOPUPPORHA-UHFFFAOYSA-N
-rxn:4:187554:222636,C[C@@H](NC(=O)OC(C)(C)C)c1ccc(-c2cccc(C(=O)N3CCC(S(=O)(=O)C(C)(C)C)C3)c2)cc1,KNHAQRIWUHIXFS-PHSANKKPSA-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:4:187557:226844,CC(C)(C)OC(=O)N1C(=O)CCC[C@@H]1c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1,GOTIUBBKGLJCFF-GOSISDBHSA-N
-rxn:4:187560:226844,CC(C)(C)OC(=O)N1CCCC(c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2)C1=O,KMSSDCOLJPRYQL-UHFFFAOYSA-N
-rxn:4:187561:227738,Cc1cnc(C(F)(F)F)cc1-c1ccc(Cl)c(C(=O)N2CCC(S(=O)(=O)C(C)(C)C)C2)c1,LGRBMFXNVYLPRG-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:4:187587:226844,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2Cl)CC1,SLCVPMMIPCRMGZ-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:4:187590:226844,CC(C)(C)OC(=O)N1CCCC(c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)c(F)c2)C1,ZCEMHISNZBQAHF-UHFFFAOYSA-N
-rxn:4:187592:226844,CC(C)(C)OC(=O)N1CCC(c2ccc(F)c(-c3ccnc(C(=O)C(F)(F)F)c3)c2)CC1,GVEPXGKBXHYVGU-UHFFFAOYSA-N
-rxn:4:187594:223179,CONC(=O)c1cc(-c2cc(F)cc(C3CCCN(C(=O)OC(C)(C)C)C3)c2)ccc1F,ZSEXYMVZWPACRZ-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:4:187631:223179,CONC(=O)c1cc(-c2ccc(C=C3CCN(C(=O)OC(C)(C)C)CC3)cc2)ccc1F,KXSOHROUFZDRII-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:4:187633:226844,CC(C)(C)OC(=O)N1CCOC(C)(c2cccc(-c3ccnc(C(=O)C(F)(F)F)c3)c2)C1,YYKBOZQPILBIFQ-UHFFFAOYSA-N
-rxn:4:187634:226844,O=C(C1CCCCC1)N(c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1)C1C=CS(=O)(=O)C1,YCISTMMJYLFRPJ-UHFFFAOYSA-N
-rxn:4:187656:224802,CCN(C1CCCCC1)S(=O)(=O)c1cc(C)c(-c2ccc(C(OC)OC)cc2C(F)(F)F)cc1C,SSKSOCHMEOEXHU-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:4:187659:224614,CN(C(=O)OC(C)(C)C)c1ccc(-c2ccc(C3(C)CCN(C(=O)OC(C)(C)C)CC3)cc2)cc1,ODYOOSZXUGJBPK-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:4:187662:224156,Cc1cc(-c2cc3ccccc3n2C(=O)OC(C)(C)C)cc(C2CCN(C(=O)OC(C)(C)C)CC2)c1,MOMVRBCSPJFBHP-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:4:187668:226844,CC1CN(C(=O)OC(C)(C)C)CCC1c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1,LIASRBZJCBLJQX-UHFFFAOYSA-N
-rxn:4:187670:223279,CC1CN(C(=O)OC(C)(C)C)CCC1c1cc(Cl)cc(-c2cnc(C3CCCN3)nc2)c1,BJBKPPCMOWMQHX-UHFFFAOYSA-N
-rxn:4:187672:223179,CONC(=O)c1cc(-c2cc(CN3CCCC(C(F)(F)F)C3)cc(C(C)(C)C)c2)ccc1F,MYSFZDUNXNSWCQ-UHFFFAOYSA-N
-rxn:4:187672:226844,CC(C)(C)c1cc(CN2CCCC(C(F)(F)F)C2)cc(-c2ccnc(C(=O)C(F)(F)F)c2)c1,ZBNKJKMVZKGROO-UHFFFAOYSA-N
-rxn:4:187677:223179,CONC(=O)c1cc(-c2ccc(C3CC34CCN(C(=O)OC(C)(C)C)CC4)cc2)ccc1F,WEBJMSRGGUPBSQ-UHFFFAOYSA-N
-rxn:4:187679:223279,O=C(c1ccc(-c2cnc(C3CCCN3)nc2)cc1)N(C1CCCCC1)C1CCCCC1,VXRAMRHYJNLUOL-UHFFFAOYSA-N
-rxn:4:187680:223179,CONC(=O)c1cc(-c2ccccc2C(=O)N(C2CCCCC2)C2CCCCC2)ccc1F,XHLKTFTVQHBEOA-UHFFFAOYSA-N
-rxn:4:187680:223279,O=C(c1ccccc1-c1cnc(C2CCCN2)nc1)N(C1CCCCC1)C1CCCCC1,NQSNMORRVLQADB-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:4:187691:226844,O=C(c1cccc(CN2CCC3(CC2)OCCO3)c1)c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1F,WOWMNMNHDSZTJF-UHFFFAOYSA-N
-rxn:4:187692:226844,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:4:187693:226844,O=C(c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1F)c1ccccc1CN1CCC2(CC1)OCCO2,BICJDCFYHGLNAC-UHFFFAOYSA-N
-rxn:4:187811:224325,CC(C)(C)OC(=O)n1cc(C(F)F)c2ccc(-c3ccc(C4=CCN(S(C)(=O)=O)CC4)cc3)cc21,VCEAZICFAOEJIA-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:4:187847:222899,CCCCNS(=O)(=O)c1ccc(-c2cc3c(cc2C(F)F)N(C(=O)OC(C)(C)C)CC3)cc1,NQMKUFNYGXZLRD-UHFFFAOYSA-N
-rxn:4:187849:222945,CC(C)NS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)cc3c2CCN3C(=O)OC(C)(C)C)cc1F,ZFWBSAMNLFPWOV-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:4:187902:223500,COc1cc(S(=O)(=O)N2CCc3ccccc32)c(OC)cc1-c1ccc(F)c(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1,CHFOSUGWUFGXSS-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:4:187944:223179,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:4:187946:226844,COc1ccc2c(c1-c1ccnc(C(=O)C(F)(F)F)c1)CCN(C(=O)OC(C)(C)C)[C@@H]2C,CSFQGOYWTJHGSP-CYBMUJFWSA-N
-rxn:4:187955:226844,O=C1C(=Cc2ccccc2-c2ccnc(C(=O)C(F)(F)F)c2)Oc2cc(OC(=O)N3CCOCC3)ccc21,NFCVHQADLDMNDB-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:4:187991:223279,CC1CCC2C(=O)N(c3ccc(OC(=O)c4ccccc4-c4cnc(C5CCCN5)nc4)cc3)C(=O)C2C1,CCDNHMYJEDKJLF-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:4:188005:223179,CONC(=O)c1cc(-c2ccc(C3OC4(C(=O)c5ccccc5C4=O)C4C(=O)N(Cc5ccc(OC)cc5)C(=O)C34)cc2)ccc1F,DDHGFBQJWSCJHD-UHFFFAOYSA-N
-rxn:4:189232:223997,Cc1cc(-c2cnccc2S(=O)(=O)Oc2c(F)c(F)c(F)c(F)c2F)cc(C)c1S(=O)(=O)N1CCOCC1,ZKARDPZJTDNYLI-UHFFFAOYSA-N
-rxn:4:189257:223559,CCN(CC)c1c(F)cccc1-c1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)OC(C)(C)C,GEMDMDRRZNCBAS-UHFFFAOYSA-N
-rxn:4:189378:223599,CN(C)S(=O)(=O)c1cc(-c2cc3cc(C(F)(F)F)ccc3n2C(=O)OC(C)(C)C)cc(C(F)(F)F)c1,KDAWINWZTOPVKG-UHFFFAOYSA-N
-rxn:4:189836:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2ccoc2CN2CCC(C(F)(F)F)CC2)cc1,WLXFLHAFJQBJNX-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:4:189996:223898,Cc1c(/C=N/S(=O)C(C)(C)C)cccc1-c1ccc(N(C(=O)OC(C)(C)C)C(C)C)cc1,PIVIQCQFUDEKSX-WPWMEQJKSA-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:4:190085:226844,O=C(c1c(-c2ccnc(C(=O)C(F)(F)F)c2)cccc1C(F)(F)F)N1CCC(F)(F)CC1,BLYXNPFGSUYNBD-UHFFFAOYSA-N
-rxn:4:190174:223279,O=S(=O)(c1cc(-c2cnc(C3CCCN3)nc2)c(F)cc1F)N1CCCC(C(F)(F)F)C1,RRQWIQWBNAWMPE-UHFFFAOYSA-N
-rxn:4:190175:223279,O=S(=O)(c1cc(-c2cnc(C3CCCN3)nc2)c(F)cc1F)N1CCCCC1C(F)(F)F,BWEKYRCPECCHPP-UHFFFAOYSA-N
-rxn:4:190178:223179,CONC(=O)c1cc(-c2ccc(S(=O)(=O)N3CCCC(F)(F)C3)c(C(F)(F)F)c2)ccc1F,DJGTTZXONBWTME-UHFFFAOYSA-N
-rxn:4:190178:226844,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:4:190179:223179,CONC(=O)c1cc(-c2ccc(S(=O)(=O)N3CCC(F)(F)CC3)c(C(F)(F)F)c2)ccc1F,MCZBFWUSDNEQEM-UHFFFAOYSA-N
-rxn:4:190179:226844,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:4:190322:224462,CCS(=O)(=O)N1CCC(c2ccc(-c3ccc(C4CCN(C5CC5)CC4)cc3)cc2)CC1,HOCLRLOHWMLZST-UHFFFAOYSA-N
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-rxn:4:190930:222945,CC(C)NS(=O)(=O)c1ccc(-c2cccc3c2CN(C(=O)OC(C)(C)C)CC3=O)cc1F,IBRKGTDWGHVYDK-UHFFFAOYSA-N
-rxn:4:190931:222820,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc3c(c2)C(=O)CCN3C(=O)OC(C)(C)C)cc1F,ZHYMAMJGOTXXNP-UHFFFAOYSA-N
-rxn:4:191008:222636,C[C@@H](NC(=O)OC(C)(C)C)c1ccc(-c2ccc3c(c2)C(=O)N(C(=O)OC(C)(C)C)C3(C)C)cc1,KNWXQEFMKVZCOJ-QGZVFWFLSA-N
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-rxn:4:191039:223557,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc4c(c3)C(C)(C)CN4C(=O)OC(C)(C)C)c(F)ccc21,UNGYDKBURDUHDF-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:4:191042:226844,CC(C)(C)OC(=O)N1CC2(Cc3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3C2=O)C1,GTJKIZPAVUCIDR-UHFFFAOYSA-N
-rxn:4:191062:226844,CS(=O)(=O)C1CC2CCC(C1)N2S(=O)(=O)c1ccccc1-c1ccnc(C(=O)C(F)(F)F)c1,QVXPXEWCDVJWGM-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:4:191088:224168,CCN(C(=O)OC(C)(C)C)c1cccc(-c2ccc3c(c2)C(C)(C)CCN3C(=O)OC(C)(C)C)c1,VEYGJTALZNGTCJ-UHFFFAOYSA-N
-rxn:4:191097:223182,CCNS(=O)(=O)c1ccc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)cc1,UPOGQSPEHHSSDT-UHFFFAOYSA-N
-rxn:4:191097:223583,COC(=O)c1ccc2c(-c3ccc4c(c3)C(C)=CC(C)(C)N4C(=O)OC(C)(C)C)cn(C(=O)OC(C)(C)C)c2c1,AGQZWVLYJWKPBK-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:4:191103:226844,CC(C)(C)OC(=O)N1CCC2(C=Cc3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc32)CC1,RCYHAYORCZLUKD-UHFFFAOYSA-N
-rxn:4:191104:223179,CONC(=O)c1cc(-c2ccc3c(c2)C2(CCN(C(=O)OC(C)(C)C)CC2)CO3)ccc1F,XRGGEAYPKLPRFA-UHFFFAOYSA-N
-rxn:4:191113:223568,Cc1ccc(C(=O)C2=CN(c3ccc(-c4cnc5c(ccn5[Si](C(C)C)(C(C)C)C(C)C)c4Cl)cc3)c3cc(F)ccc3S2(=O)=O)cc1,QRZMIEHDQCIABD-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:4:191116:226844,CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)c1cc(-c3ccnc(C(=O)C(F)(F)F)c3)ccc12,JZCQLJGQFRIMJC-UHFFFAOYSA-N
-rxn:4:191123:223279,CC(C)(C)OC(=O)N1CCC2(CCc3cccc(-c4cnc(C5CCCN5)nc4)c32)CC1,YYNINGAGTOOFAM-UHFFFAOYSA-N
-rxn:4:191124:225568,COC(=O)C(C)(C)c1ccc(-c2ccc3c(c2)C2(CC3)CCN(C(=O)OC(C)(C)C)CC2)cc1,NCYXSIFOSQJKQA-UHFFFAOYSA-N
-rxn:4:191127:226844,CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)c1ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc1O2,DMRXZDKOVNSRED-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:4:191137:226844,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:4:191138:223179,CCc1ccccc1N1C(=O)C2C(c3ccc(-c4ccc(F)c(C(=O)NOC)c4)cc3)OC3(C(=O)c4ccccc4C3=O)C2C1=O,RLYKNQXIRPBNBM-UHFFFAOYSA-N
-rxn:4:191150:223898,CC(C)N(C(=O)OC(C)(C)C)c1ccc(-c2ccc3c(c2)C2CCC3N2C(=O)OC(C)(C)C)cc1,WFQLXIUACKXSFY-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:4:191194:224716,CC(C)c1cccc(C(C)C)c1N1C(=O)c2cccc3c(-c4ccc(N(C)C(=O)OC(C)(C)C)nc4)ccc(c23)C1=O,GSWNBVBQCVOKKR-UHFFFAOYSA-N
-rxn:4:191195:222581,CC(C)NS(=O)(=O)c1ccc(-c2cc3c(c4c2CCC4)N(C(=O)OC(C)(C)C)C(C)(C)C(=O)C3C)c2ccccc12,NWQYXEJWUIBDFO-UHFFFAOYSA-N
-rxn:4:191195:224332,CC1C(=O)C(C)(C)N(C(=O)OC(C)(C)C)c2c1cc(-c1cccc(-c3ccc(C(F)(F)F)cn3)c1)c1c2CCC1,GLNGVWUYMXHYPO-UHFFFAOYSA-N
-rxn:4:191206:226844,COc1cc2c(cc1OC)C1=CC(c3cccc(-c4ccnc(C(=O)C(F)(F)F)c4)c3)C3=C(CCCC3=O)N1CC2,JUSKQELYIMCLHR-UHFFFAOYSA-N
-rxn:4:191832:223559,COc1ccnc(C(F)(F)F)c1-c1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)OC(C)(C)C,JLMBBDFTYQIDDU-UHFFFAOYSA-N
-rxn:4:193197:223841,Cc1cc(F)c(-c2ccccc2C2(C#N)CCCOC2)cc1S(=O)(=O)N1CCN(C)CC1,VWLHSXQZQDCUBO-UHFFFAOYSA-N
-rxn:4:193231:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(C(=O)N2CCSCC2)c(Cl)c1,QWYCIOMOLCWUHX-UHFFFAOYSA-N
-rxn:4:193249:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(C(=O)N2CCSCC2)c(F)c1,PXNBGUXQHJCNDE-UHFFFAOYSA-N
-rxn:4:193266:222716,O=C(c1c(Cl)ccc(-c2ccc(S(=O)(=O)NC3CCCC3)c(F)c2)c1F)N1CCSCC1,TZLAPXTYTBGDSG-UHFFFAOYSA-N
-rxn:4:193269:223641,CCc1cc2c(cc1F)cc(-c1cc(S(=O)(=O)N3CCCC3)c(F)cc1F)n2C(=O)OC(C)(C)C,FLFBRSNMRNRPGQ-UHFFFAOYSA-N
-rxn:4:193276:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(F)c(F)c1C(=O)N1CCSCC1,GKWKXGAKYYJZGA-UHFFFAOYSA-N
-rxn:4:193280:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(C(=O)N2CCSCC2)c(F)c1Cl,KZQVUYDBXXNHAR-UHFFFAOYSA-N
-rxn:4:193288:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cc(C(=O)N2CCSCC2)cc(F)c1F,HUZVVXZADQAQNQ-UHFFFAOYSA-N
-rxn:4:193292:224820,O=S1(=O)CCCN1c1ccc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)c(C(F)(F)F)c1,VDOGKVISIUDKOX-UHFFFAOYSA-N
-rxn:4:193300:224420,Cc1cc2c(cc1-c1ccc(S(=O)(=O)N3CCC(F)(F)C3)cc1F)C(C)(C)CCC2(C)C,UZBBQLDEKUPYJG-UHFFFAOYSA-N
-rxn:4:193509:222523,CC(C)(C)NS(=O)(=O)c1ccc(-c2cc(C(=O)N3CCS(=O)(=O)CC3)ccc2F)c(C(F)(F)F)c1,VPYHUCRNWWSJFH-UHFFFAOYSA-N
-rxn:4:193748:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(Cl)c(C(=O)N2CCCC(C)C2)c1,UAMBWNCEPYWDAY-UHFFFAOYSA-N
-rxn:4:193751:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(Cl)cc1C(=O)N1CCCC(C)C1,JRDBBBBDHGRFDR-UHFFFAOYSA-N
-rxn:4:193771:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cccc(F)c1C(=O)N1CCCC(C)C1,LHVLMATZIQTUHN-UHFFFAOYSA-N
-rxn:4:193780:222520,Cc1ccc(C(=O)N2CCS(=O)(=O)CC2)cc1-c1ccc(C(F)(F)F)c(NC(=O)OC(C)(C)C)c1,LTMJAVOWJYFTSR-UHFFFAOYSA-N
-rxn:4:193977:223179,CONC(=O)c1cc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC3(CC2)OCCO3)ccc1F,KFAMXMZBUZRTMH-UHFFFAOYSA-N
-rxn:4:194686:226844,O=C1CC2(CCN(C(=O)C(F)(F)F)CC2)c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc21,SJVAUVKQXMHMDF-UHFFFAOYSA-N
-rxn:4:194733:226844,O=C(c1cc(-c2ccnc(C(=O)C(F)(F)F)c2)ccc1Cl)N1C2CCC1CC(=C1CC1)C2,KPBREIPWSBHFCJ-UHFFFAOYSA-N
-rxn:4:194750:226844,O=C(c1cc(-c2ccccc2S(=O)(=O)N2C3CCC2CC(=C2CC2)C3)ccn1)C(F)(F)F,MGRHZGLAJQQCFK-UHFFFAOYSA-N
-rxn:4:194751:226844,CSCN1C(=O)CC2(CCOCC2)Oc2cc(-c3ccnc(C(=O)C(F)(F)F)c3)ccc21,QATUCILZUFHTBT-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:4:194758:223179,CONC(=O)c1cc(-c2ccc3c(c2)CCCC3N2CCC(C(F)(F)F)CC2)ccc1F,XZYFPTZIHUAYSB-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:4:194791:223179,CONC(=O)c1cc(-c2ccccc2N2C(=O)C3C(c4ccc(Cl)cc4)OC4(C(=O)c5ccccc5C4=O)C3C2=O)ccc1F,JVTIMKFDCMOGAP-UHFFFAOYSA-N
-rxn:4:194791:226844,O=C1C2C(c3ccc(Cl)cc3)OC3(C(=O)c4ccccc4C3=O)C2C(=O)N1c1ccccc1-c1ccnc(C(=O)C(F)(F)F)c1,PRIDPNUEKMWEML-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:4:194794:223179,CONC(=O)c1cc(-c2ccc(C3OC4(C(=O)c5ccccc5C4=O)C4C(=O)N(c5ccc(F)cc5)C(=O)C34)cc2)ccc1F,FOYAAABTIRCVQF-UHFFFAOYSA-N
-rxn:4:194798:223279,Cc1ccc(C2OC3(C(=O)c4ccccc4C3=O)C3C(=O)N(c4ccc(-c5cnc(C6CCCN6)nc5)cc4)C(=O)C23)cc1,CYVJXGKDVSPADM-UHFFFAOYSA-N
-rxn:4:194801:223279,Cc1ccc(N2C(=O)C3C(c4ccccc4-c4cnc(C5CCCN5)nc4)OC4(C(=O)c5ccccc5C4=O)C3C2=O)cc1C,JAZJVERENNOKHP-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:4:197465:223497,CC(c1ccc(-c2cccc3ccn(C(F)F)c(=O)c23)cc1)N1CCC(O[Si](C)(C)C(C)(C)C)CC1,ZHKDPXGVTPTAKI-UHFFFAOYSA-N
-rxn:4:197870:222636,C[C@@H](NC(=O)OC(C)(C)C)c1ccc(-c2ccc3c(c2)C(=O)N(C(C)(C)C)S3(=O)=O)cc1,COCXGPUCSGPLHW-OAHLLOKOSA-N
-rxn:4:197876:222754,COc1ccc(C(=O)NC(C)(C)C)c(-c2cc3c(cc2Cl)C(=O)N(C(C)(C)C)S3(=O)=O)c1,BSNXEZBJFWHKKB-UHFFFAOYSA-N
-rxn:4:197876:222896,CC(C)(C)OC(=O)NCc1ccc(-c2cc3c(cc2Cl)C(=O)N(C(C)(C)C)S3(=O)=O)s1,RYLYPIHWQGFLTO-UHFFFAOYSA-N
-rxn:4:197966:224022,CC1CCN(C2CCc3cc(-c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)ccc32)CC1,BXIPFMWPPKGDHD-UHFFFAOYSA-N
-rxn:4:198071:226844,CC1(C)CC(=O)C2=C(C1)N=C1c3ccccc3C(=O)C1C2c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1,KTDZHWPLGRVGOK-UHFFFAOYSA-N
-rxn:4:199500:222708,COC(=O)C(C(=O)OC(C)(C)C)c1ncc(-c2ccc(S(=O)(=O)NC(=O)CC(C)C)cc2)cn1,JVJPCNKSWCERQT-UHFFFAOYSA-N
-rxn:4:199500:223739,COC(=O)C(C(=O)OC(C)(C)C)c1ncc(-c2ccc(O[Si](C)(C)C(C)(C)C)c3ccccc23)cn1,XESICYHGCFMVRA-UHFFFAOYSA-N
-rxn:4:199500:224288,COC(=O)C(C(=O)OC(C)(C)C)c1ncc(-c2ccc(N(C)C(=O)OC(C)(C)C)cc2Cl)cn1,HOYOPMURFHWJIX-UHFFFAOYSA-N
-rxn:4:199525:226844,CCC(C(=O)OC(C)(C)C)n1cc(-c2ccnc(C(=O)C(F)(F)F)c2)c(C(F)(F)F)n1,OVQBVSPNSFUWOB-UHFFFAOYSA-N
-rxn:4:199549:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2ccc(CN(C(=O)OC(C)(C)C)C3CC3)nc2)cc1,XXBNOPVEZIEQHK-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:4:199576:226844,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:4:199577:223179,CONC(=O)c1cc(-c2cc(OC(F)(F)F)ccc2OCC(=O)N2CCN(C)CC2)ccc1F,KGVAORCZHASUSR-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:4:199595:223179,CONC(=O)c1cc(-c2cncc(C(=O)OCC(=O)N(C)C3CCCCC3)c2)ccc1F,CPRLWIXPWUODGB-UHFFFAOYSA-N
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-rxn:4:199597:223179,CONC(=O)c1cc(-c2cc(OC(F)(F)F)ccc2OCCN2CCN(C)CC2)ccc1F,YANAOMMPIHWPIS-UHFFFAOYSA-N
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-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
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-rxn:4:199815:226025,COc1ccc(C(=O)N2CCN(Cc3ccc(-c4cnc(OC5CCOC5)nc4Cl)cc3)CC2)cc1OC,MPRGYYKXURHXMK-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
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-rxn:4:199827:226844,CC1CN(C(=O)OC(C)(C)C)CCN1CCc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1,GFTKKCFMOVYFNC-UHFFFAOYSA-N
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-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
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-rxn:4:199846:223179,CCOc1ccc(-c2ccc(F)c(C(=O)NOC)c2)cc1S(=O)(=O)N1CCN(c2ccccc2OC)CC1,IRZMTVLXQQMTPF-UHFFFAOYSA-N
-rxn:4:199846:226844,CCOc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1S(=O)(=O)N1CCN(c2ccccc2OC)CC1,WXQMZYRKFFJHEZ-UHFFFAOYSA-N
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-rxn:4:199849:223179,CONC(=O)c1cc(-c2cc(C(F)(F)F)cc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)[C@H](C)C3)c2)ccc1F,SOEORQPIESGKLJ-OAHLLOKOSA-N
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-rxn:4:199851:226844,O=C1C(=Cc2ccc(-c3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3)o2)SC(=S)N1CCCN1CCOCC1,HJDDPPVLDJMNCJ-UHFFFAOYSA-N
-rxn:4:199859:225219,COc1ccc(C2=NN(C(=O)c3ccc(-c4cnc(N5CCCCC5C)cc4F)o3)C(c3ccc(C)cc3)C2)cc1OC,VVPPRFFQQFNSLY-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:4:199861:226844,Cc1cc(OC2CCN(C(=O)CCc3ccccc3-c3ccnc(C(=O)C(F)(F)F)c3)CC2)cc(=O)n1C,BYEDNIMNQYTZCA-UHFFFAOYSA-N
-rxn:4:199863:223279,CCCOc1cc(S(=O)(=O)N2CCN(c3ccc(C)c(Cl)c3)CC2)ccc1-c1cnc(C2CCCN2)nc1,NFSSMQQXKFUMCT-UHFFFAOYSA-N
-rxn:4:199865:226844,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2)[C@@H](c2ccc(Cl)cc2)C1,FESJKVONZCKGPE-XMMPIXPASA-N
-rxn:4:199866:226844,O=C(C(=Cc1ccc(-c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2)o1)C(=O)N1CCOCC1)N1CCOCC1,SVPSNNMOJJUHAM-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:4:199869:226844,CCCOc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1S(=O)(=O)N1CCN(c2cccc(C)c2C)CC1,WZQGBOFVTVNONY-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:4:199877:226844,COc1cc(C(=O)N2C(=S)C(c3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3)=NC23CCCCC3)cc(OC)c1OC,CXKDYAUMUVMHCH-UHFFFAOYSA-N
-rxn:4:199878:223179,CONC(=O)c1cc(-c2cc(CN3CCN(C(=O)OC(C)(C)C)C(C)C3)cc(C(C)(C)C)c2)ccc1F,PRUMILAEQPXJRV-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:4:199883:226844,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
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-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
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-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:4:199982:226844,CCCCCN1C(=O)C(=C2SC(=S)N(CCC)C2=O)c2cc(-c3ccnc(C(=O)C(F)(F)F)c3)ccc21,YBKHKYVUDYLJBT-UHFFFAOYSA-N
-rxn:4:199999:226013,CSc1ccc(OC(F)(F)F)cc1-c1ccc2c(=NC(=O)OC(C)(C)C)n(C(=O)OC(C)(C)C)ccc2c1,RXPLSBRZMHIVFH-UHFFFAOYSA-N
-rxn:4:199999:226113,CC(C)CC(=O)c1ccc(-c2ccc3c(=NC(=O)OC(C)(C)C)n(C(=O)OC(C)(C)C)ccc3c2)cc1,HGMCKGBKBYRJMU-UHFFFAOYSA-N
-rxn:4:199999:227293,CC(C)(C)OC(=O)N=c1c2ccc(-c3cncc(OC(C)(C)C)c3)cc2ccn1C(=O)OC(C)(C)C,KBRITJGWWZLVJF-UHFFFAOYSA-N
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-rxn:4:200007:223279,CCCCCN1C(=O)C(=C2SC(=S)N(CC(C)C)C2=O)c2cc(-c3cnc(C4CCCN4)nc3)ccc21,XXWAMDVANOTAQO-UHFFFAOYSA-N
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-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
-rxn:4:200023:226844,O=C(COc1cccc2c1CCN(Cc1ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc1)C2=O)N1CCOCC1,GZTIATTYFWPAFP-UHFFFAOYSA-N
-rxn:4:200025:226844,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:4:200026:223179,CONC(=O)c1cc(-c2ccc(CC3SC4=NC(C)=C(C(=O)OC)C(c5ccc(OC)cc5)N4C3=O)cc2)ccc1F,PESGTAMSLPXFEM-UHFFFAOYSA-N
-rxn:4:200030:222833,CC(C)CCC(=O)Nc1cccc(-c2ccc(Cn3cc(SCC(=O)N4CCCCCC4)c4ccccc43)cc2)c1,FHXNYDNVUMUKDI-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:4:200032:226844,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:4:200039:223179,CONC(=O)c1cc(-c2ccc(OC)c(CCC(=O)N3CCC(N4CCc5ccccc5C4)C3)c2)ccc1F,HGKPNKPAGFQNTD-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:4:200055:223179,CONC(=O)c1cc(-c2ccccc2C(=O)OCCN2C(=O)c3cccc4c(N5CCOCC5)ccc(c34)C2=O)ccc1F,LKZUWIBSDRNBBM-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:4:200063:226844,O=C(OCCN1C(=O)c2cccc3c(N4CCCCC4)ccc(c23)C1=O)c1ccccc1-c1ccnc(C(=O)C(F)(F)F)c1,ITFWCRLYKKDUPZ-UHFFFAOYSA-N
-rxn:4:200064:223279,O=C(OCCN1C(=O)c2cccc3c(N4CCCCC4)ccc(c23)C1=O)c1cccc(-c2cnc(C3CCCN3)nc2)c1,GGBYMYQOZRTEKZ-UHFFFAOYSA-N
-rxn:4:200065:226844,O=C(OCCN1C(=O)c2cccc3c(N4CCCCC4)ccc(c23)C1=O)c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1,FRUYWQAFOKEMDY-UHFFFAOYSA-N
-rxn:4:200208:223898,CCOC(=O)c1n[nH]c(CC(C)C)c1-c1ccc(N(C(=O)OC(C)(C)C)C(C)C)cc1,RXDIVLWVKCGSQX-UHFFFAOYSA-N
-rxn:4:200209:222543,CCOC(=O)c1cn(CC(C)C)nc1-c1ccc(C2(NC(=O)OC(C)(C)C)CC2)cc1,VOFNTLFFEAHCNX-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:4:200340:223179,CONC(=O)c1cc(-c2cc([N+](=O)[O-])ccc2OCCN2CCC(F)(F)CC2)ccc1F,HXRNOFCFNLNKGR-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:4:200384:226844,O=C(CCc1ccccc1-c1ccnc(C(=O)C(F)(F)F)c1)N1CC(N2C(=O)COC2=O)C1,HUXKSLBGFVOWRI-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:4:200441:223179,CCOC(=O)c1nc(N2CCC(C(F)(F)F)CC2)ccc1-c1ccc(F)c(C(=O)NOC)c1,LIDLBISHYQPESW-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:4:200482:226844,CCN1CCN(Cc2ccc(OC(F)(F)F)c(-c3ccnc(C(=O)C(F)(F)F)c3)c2)CC1,UKQBXHYOVNWEQE-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:4:200484:223179,CONC(=O)c1cc(-c2cccc(CN3CCN(C)CC3)c2OCC(F)(F)F)ccc1F,YKMUPEYLVLZKLY-UHFFFAOYSA-N
-rxn:4:200492:223179,CONC(=O)c1cc(-c2ccccc2CCC(=O)N2CC(N3C(=O)CCC3=O)C2)ccc1F,NFEQSEFECNKQNQ-UHFFFAOYSA-N
-rxn:4:200493:223179,CONC(=O)c1cc(-c2ccc(CC(=O)N3CC(CN4C(=O)CCC4=O)C3)cc2)ccc1F,JLPVTWLUPHJYTM-UHFFFAOYSA-N
-rxn:4:200508:224751,O=C(Cc1ccc(F)cc1F)N1CCC(Oc2ccc(-c3ccc(F)c(C(=O)N4CCOCC4)c3)cn2)C1,XQDIMFOOGIVBQG-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:4:200569:223179,CONC(=O)c1cc(-c2cccnc2OC2CCN(C(=O)OC3CCOCC3)C2)ccc1F,VVLOHWPRIQZPJO-UHFFFAOYSA-N
-rxn:4:200569:226844,O=C(OC1CCOCC1)N1CCC(Oc2ncccc2-c2ccnc(C(=O)C(F)(F)F)c2)C1,DCPNRABRPSHPQS-UHFFFAOYSA-N
-rxn:4:200573:226844,O=C(c1cc(-c2ccnc(C(=O)C(F)(F)F)c2)ccc1Cl)N1CCC(CSC2=NCCS2)CC1,MCVITXWVPBOHKZ-UHFFFAOYSA-N
-rxn:4:200574:227715,CC(C)N1CCN(C(=O)c2cc(OC(F)(F)F)cc(-c3cc(F)cc(OC(F)F)c3)c2)CC1,TXAFEECRJVUZPK-UHFFFAOYSA-N
-rxn:4:200575:225382,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3cc(C(F)(F)F)ccc3C(F)(F)F)c(C(F)(F)F)n2)C1,BVDHTAKAMZYNEO-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:4:200601:226844,CC(C)(C)N(C(=O)c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)o1)C(=O)N1CCCCC1,URSHFLYSVCUUOC-UHFFFAOYSA-N
-rxn:4:200602:226844,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cn2)CC1,XPSPQNKSNKIWGM-UHFFFAOYSA-N
-rxn:4:200603:223179,CONC(=O)c1cc(-c2cncc(OC3CCN(C(=O)OC(C)(C)C)CC3)c2)ccc1F,YNGTUMYWMABSMK-UHFFFAOYSA-N
-rxn:4:200606:223179,CCN1CCN(C(=O)c2c(OC)cc(-c3ccc(F)c(C(=O)NOC)c3)cc2OC)CC1,VIWDKFYWPWVMSB-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:4:200631:223279,O=C(CCN1C(=O)C(=Cc2cccc(-c3cnc(C4CCCN4)nc3)c2)SC1=S)N1CCOCC1,FXBOEVSSKBCAAQ-UHFFFAOYSA-N
-rxn:4:200643:223279,CC(C)(C)OC(=O)N1CCC(C(=O)c2ccc(-c3cnc(C4CCCN4)nc3)nc2)CC1,BTTREAGYCAAUPE-UHFFFAOYSA-N
-rxn:4:200647:223179,CONC(=O)c1cc(-c2ccc(C3(C#N)CCN(C(=O)OC(C)(C)C)CC3)cc2)ccc1F,YQAQOUHUZCAGGI-UHFFFAOYSA-N
-rxn:4:200647:226844,CC(C)(C)OC(=O)N1CCC(C#N)(c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2)CC1,LOBRSHNMCAWKNX-UHFFFAOYSA-N
-rxn:4:200648:223279,CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(-c3cnc(C4CCCN4)nc3)c2)CC1,CNNAKLSAPKUGQK-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:4:200650:226844,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccccc2-c2ccnc(C(=O)C(F)(F)F)c2)CC1,TVZOJDITGOBLIQ-UHFFFAOYSA-N
-rxn:4:200653:226844,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2)C(=O)C1,OQKSYXIPENHDQZ-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:4:200657:223179,CONC(=O)c1cc(-c2cc(C3CCCN(C(=O)OC(C)(C)C)C3)ccc2C#N)ccc1F,YUVOGSCKQHPGTR-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:4:200658:223279,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3cnc(C4CCCN4)nc3)cc2Cl)CC1,YCAWGUBYUULHAJ-UHFFFAOYSA-N
-rxn:4:200659:223279,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3cnc(C4CCCN4)nc3)c(F)c2)CC1,ANDHMJTUHRGABL-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:4:200662:226844,O=C(CCc1ccccc1-c1ccnc(C(=O)C(F)(F)F)c1)N1CCC(N2C(=O)CSC2=O)CC1,AYTOLEIQCOSYIK-UHFFFAOYSA-N
-rxn:4:200693:223179,CONC(=O)c1cc(-c2cccc(N3CCN(CC(=O)OC(C)(C)C)CC3)c2)ccc1F,QZPIUBRMGWOYJU-UHFFFAOYSA-N
-rxn:4:200694:226844,CC(C)c1ccc(OCC(=O)N2CCN(C)CC2)c(-c2ccnc(C(=O)C(F)(F)F)c2)c1,PGSUBSFLXKMYKU-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:4:200705:226844,CC(C)(C)OC(=O)N1CCN(Cc2cccc(-c3ccnc(C(=O)C(F)(F)F)c3)c2Cl)CC1,SRTZEMDHUTWGCD-UHFFFAOYSA-N
-rxn:4:200708:223179,CONC(=O)c1cc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)cc2F)ccc1F,GYFYFTONGQEXOG-UHFFFAOYSA-N
-rxn:4:200712:223179,CONC(=O)c1cc(-c2ccc(F)cc2CN2CCN(C(=O)OC(C)(C)C)CC2)ccc1F,FVZHPAJLDOFSJE-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:4:200726:223279,CC(C)(C)OC(=O)N1CCN(c2ccc(C(F)(F)F)cc2-c2cnc(C3CCCN3)nc2)CC1,DSXJSATZHKLBCJ-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:4:200734:223279,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(-c3cnc(C4CCCN4)nc3)c(F)c2)CC1,YSGYSNZGZVPKCA-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:4:200756:223179,CONC(=O)c1cc(-c2ccc(CC(=O)N3CC(N4CCC(OC)CC4)C3)cc2)ccc1F,PHKGPDCVKWGIIN-UHFFFAOYSA-N
-rxn:4:200756:223279,COC1CCN(C2CN(C(=O)Cc3ccc(-c4cnc(C5CCCN5)nc4)cc3)C2)CC1,LYCLCWOQPHSJFD-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:4:200761:223179,CONC(=O)c1cc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2OC)ccc1F,VKIITXCCXUPIHK-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:4:200780:226844,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:4:200781:226844,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:4:200782:223179,CONC(=O)c1cc(-c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)[C@@H](C)C3)cc2)ccc1F,XGMDAILMJAVLCT-INIZCTEOSA-N
-rxn:4:200782:223279,C[C@H]1CN(C(=O)c2ccc(-c3cnc(C4CCCN4)nc3)cc2)CCN1C(=O)OC(C)(C)C,LJGPHHDIKAFKBN-PBVYKCSPSA-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:4:200789:223279,CC1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1ccc(-c2cnc(C3CCCN3)nc2)c(F)c1,ANEFCZYXGKHJLB-UHFFFAOYSA-N
-rxn:4:200790:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)[C@H](C)C3)cc2F)cc1,MXKSQLQWAQSGHW-GOSISDBHSA-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:4:200799:223279,O=C(CCc1ccccc1-c1cnc(C2CCCN2)nc1)N1CCC(N2C(=O)COCC2=O)CC1,XEOQXCMJJOOIPA-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:4:200811:223179,CONC(=O)c1cc(-c2cc(C(C)(C)C)ccc2OCC(=O)N2CCN(C)CC2)ccc1F,RUVZTJPNSFPSQX-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:4:200813:223179,CONC(=O)c1cc(-c2ccc(C(C)N3CCN(C(=O)OC(C)(C)C)CC3)cc2)ccc1F,JCXNIOMSXQNLCP-UHFFFAOYSA-N
-rxn:4:200814:223279,Cc1cc(-c2cnc(C3CCCN3)nc2)ccc1CN1CCN(C(=O)OC(C)(C)C)CC1,RAXAZLNYMDZDSC-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:4:200819:226844,CC1CN(Cc2cc(F)cc(-c3ccnc(C(=O)C(F)(F)F)c3)c2)CCN1C(=O)OC(C)(C)C,GYMTUULKZGEJEC-UHFFFAOYSA-N
-rxn:4:200820:226844,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:4:200823:223279,Cc1cc(-c2cnc(C3CCCN3)nc2)ccc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,HHGTZAQQPJJQBI-UHFFFAOYSA-N
-rxn:4:200824:223279,Cc1ccc(-c2cnc(C3CCCN3)nc2)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,MFBHEEIWYGFFTK-UHFFFAOYSA-N
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-rxn:4:200825:223279,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1cnc(C2CCCN2)nc1,YDNGWZXBEJKTPL-UHFFFAOYSA-N
-rxn:4:200827:223642,Cc1ccc(S(=O)(=O)n2cc(-c3cc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)C(C)C4)c(F)cc3F)c3ccccc32)cc1,IKNLVAHSWQRLIG-UHFFFAOYSA-N
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-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:4:200838:226844,O=C(CCc1ccccc1-c1ccnc(C(=O)C(F)(F)F)c1)N1CCCN(C2CCOC2)CC1,JDXRAILYISAAEK-UHFFFAOYSA-N
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-rxn:4:200883:223279,CC(C)(C)OC(=O)N1CCC2(CC1)CN(Cc1ccccc1-c1cnc(C3CCCN3)nc1)C2,BPXABLSOCMTUOZ-UHFFFAOYSA-N
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-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:4:201081:226844,CCCCN1C(=O)C(=C2SC(=S)N(Cc3ccco3)C2=O)c2cc(-c3ccnc(C(=O)C(F)(F)F)c3)ccc21,FVXJBLCIAFYTSL-UHFFFAOYSA-N
-rxn:4:201088:222833,CC(C)CCC(=O)Nc1cccc(-c2ccc(CC(=O)N3C4CCC3CC(Oc3ccccn3)C4)cc2)c1,HCQKIXOZYYYZMV-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
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-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:4:201121:223279,CC1=C(C(=O)OCc2ccccc2)C(c2ccccc2-c2cnc(C3CCCN3)nc2)N2C(=O)CCSC2=N1,ZMYMWWOIUCKFIP-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:4:201134:226844,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)c3ccccc23)CC1,KEUHXQJABVTMAI-UHFFFAOYSA-N
-rxn:4:201146:223179,CCCCN1C(=O)C(=C2SC(=S)N(C(C)c3ccccc3)C2=O)c2cc(-c3ccc(F)c(C(=O)NOC)c3)ccc21,GAFVICTVXWUVEH-UHFFFAOYSA-N
-rxn:4:201146:223279,CCCCN1C(=O)C(=C2SC(=S)N(C(C)c3ccccc3)C2=O)c2cc(-c3cnc(C4CCCN4)nc3)ccc21,AWAFRXPJJXHOCL-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:4:201150:223179,CONC(=O)c1cc(-c2ccc3c(c2)CCN(CC2CCN(C(=O)OC(C)(C)C)CC2)C3)ccc1F,GLCHAPDOUWBESC-UHFFFAOYSA-N
-rxn:4:201150:223279,CC(C)(C)OC(=O)N1CCC(CN2CCc3cc(-c4cnc(C5CCCN5)nc4)ccc3C2)CC1,HDZCRFWGACWQPH-UHFFFAOYSA-N
-rxn:4:201171:223279,O=C(N1CCN=C1SCc1ccc(-c2cnc(C3CCCN3)nc2)cc1)C12CC3CC(CC(C3)C1)C2,RLEIINUHMUFCAF-UHFFFAOYSA-N
-rxn:4:201182:223179,CONC(=O)c1cc(-c2cccc(C3c4c(oc5ccccc5c4=O)C(=O)N3CCCN3CCOCC3)c2)ccc1F,JPZHESOAOGQYQL-UHFFFAOYSA-N
-rxn:4:201188:223179,CONC(=O)c1cc(-c2cccc(C3c4c(oc5cc(OC)ccc5c4=O)C(=O)N3CCN3CCOCC3)c2)ccc1F,NIHRTCUJEVZGTQ-UHFFFAOYSA-N
-rxn:4:201190:223179,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:4:201192:222912,CC(C)CNS(=O)(=O)c1ccc(-c2ccc3c(c2)C2CC(c4ccc(OC(C)C)cc4)=NN2C(c2ccc(C(C)C)cc2)O3)cc1,RKTBPEJMNRYXBZ-UHFFFAOYSA-N
-rxn:4:201604:223599,CN(C(=O)OC(C)(C)C)c1ccc(Cl)nc1-c1cc2cc(C(F)(F)F)ccc2n1C(=O)OC(C)(C)C,OOGUCQOSEXVRMU-UHFFFAOYSA-N
-rxn:4:201730:224614,Cc1c(-c2ccc(N(C)C(=O)OC(C)(C)C)cc2)c(C2CC2)nn1C(=O)OC(C)(C)C,MABILNSEZIAQMX-UHFFFAOYSA-N
-rxn:4:201765:223179,CONC(=O)c1cc(-c2ccc(C(=O)N3CC(CN4C(=O)COC4=O)C3)cc2)ccc1F,ZPPITOZLTSICSO-UHFFFAOYSA-N
-rxn:4:201815:226844,CN1CCN(C(=O)c2cc(-c3ccnc(C(=O)C(F)(F)F)c3)ccc2OC(F)(F)F)CC1,ZDNYEUGTHZPJIZ-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:4:201857:223179,CONC(=O)c1cc(-c2ccc(CC(=O)N3CC(N4C(=O)CCC4=O)C3)cc2)ccc1F,UBLLUOSPLXDGEV-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:4:201861:226844,COc1cc(N2CCCC(C(F)(F)F)C2)c(-c2ccnc(C(=O)C(F)(F)F)c2)cc1[N+](=O)[O-],BRZQLWNMSSGASG-UHFFFAOYSA-N
-rxn:4:201862:223179,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:4:201870:223179,CONC(=O)c1cc(-c2ccc(Cl)c(C(=O)N3CC(CN4C(=O)CCC4=O)C3)c2)ccc1F,IPAUKURMPHDLOF-UHFFFAOYSA-N
-rxn:4:201893:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3ccc(CCC(=O)N4CCN(C)CC4)cc3)cc2)CC1,TYMMSMIZJKVRLL-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:4:201908:223279,O=C1CCC(=O)N1CC1CN(S(=O)(=O)c2ccc(-c3cnc(C4CCCN4)nc3)cc2)C1,QDZSKJRZNNNWAY-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:4:201961:225982,CCN1CCN(c2cc(-c3cnc(N4CCOCC4)cc3F)c(C(=O)OC)cc2F)CC1,NGPCFNQORVEHHW-UHFFFAOYSA-N
-rxn:4:201967:223179,CONC(=O)c1cc(-c2ccc(S(=O)(=O)N3CCN(C(C)=O)CC3)cc2OC)ccc1F,PKWPDYJQXDUYAZ-UHFFFAOYSA-N
-rxn:4:201967:226844,COc1cc(S(=O)(=O)N2CCN(C(C)=O)CC2)ccc1-c1ccnc(C(=O)C(F)(F)F)c1,ICISWOAPAPMLRL-UHFFFAOYSA-N
-rxn:4:202007:223591,CCOc1cc(S(=O)(=O)N2CCN(C)CC2)ccc1-c1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1F,FGPXFQMFTCQUFW-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:4:202066:224076,CC(C)N1CCN(C(=O)Cc2ccc(Cl)c(-c3ccc4c(ccn4[Si](C)(C)C(C)(C)C)c3)c2)CC1,DNHDVZFEXFJGKA-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:4:202070:222658,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cc(F)cc(C(=O)NC4CCCCC4)c3)cc2)C(=O)C1,UMLIYWHRFNRZHG-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:4:202102:226844,CC1CN(C(=O)OC(C)(C)C)CCC1c1ncc(-c2ccnc(C(=O)C(F)(F)F)c2)s1,HKTCSZZDBZGAJK-UHFFFAOYSA-N
-rxn:4:202107:225592,CC(C)(C)OC(=O)N1CCCC(c2cc(-c3cc(F)ccc3CN3CCCC3)ccn2)C1,MAJDLGXTWGWRBA-UHFFFAOYSA-N
-rxn:4:202128:223179,CONC(=O)c1cc(-c2cncc(N3CCC(C(=O)OC(C)(C)C)CC3)c2Cl)ccc1F,SBFAABIUSGVLLI-UHFFFAOYSA-N
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-rxn:4:202137:223179,CONC(=O)c1cc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c(F)c2)ccc1F,UNQRHDDHTRADOM-UHFFFAOYSA-N
-rxn:4:202138:226844,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)c(F)c2)CC1,PPJHPHQDULRCTR-UHFFFAOYSA-N
-rxn:4:202140:223179,CONC(=O)c1cc(-c2cc(F)cc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)ccc1F,DVTAXZAGJKSFET-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:4:202153:223179,CONC(=O)c1cc(-c2cccc(C=C3SC(=S)N(CC(=O)N4CCCCC4)C3=O)c2)ccc1F,UUISAUHAVGKGLL-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:4:202168:226844,O=C(C1CN(Cc2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2)CCO1)N1CCCC1,KFZYSFLOWNNBRF-UHFFFAOYSA-N
-rxn:4:202170:226844,O=C(C1CN(Cc2ccccc2-c2ccnc(C(=O)C(F)(F)F)c2)CCO1)N1CCCC1,VBLRRUZAUVFVCE-UHFFFAOYSA-N
-rxn:4:202175:226844,O=C(C1CCCN1S(=O)(=O)c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1)N1CCOCC1,VUWNXGCDVCIXJZ-UHFFFAOYSA-N
-rxn:4:202197:223179,CONC(=O)c1cc(-c2ccc(CN3CCOC(C(=O)N4CCSCC4)C3)cc2)ccc1F,PYWRIXQEXBTJRI-UHFFFAOYSA-N
-rxn:4:202202:223179,CONC(=O)c1cc(-c2ccccc2CN2CCOC(C(=O)N3CCOCC3)C2)ccc1F,OTMYGOYLKWTVMX-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:4:202230:226844,Cc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)c(-c2ccnc(C(=O)C(F)(F)F)c2)c1,YYWLIAYDGQYYFV-UHFFFAOYSA-N
-rxn:4:202264:223179,CONC(=O)c1cc(-c2cccc(C(=O)N3CCCSCC3CN3CCCC3)c2)ccc1F,KHDSYEBDBWMLMC-UHFFFAOYSA-N
-rxn:4:202268:226844,O=C(C1CN(Cc2ccccc2-c2ccnc(C(=O)C(F)(F)F)c2)CCO1)N1CCCCC1,WTQDWELDLCWCOG-UHFFFAOYSA-N
-rxn:4:202277:223179,CONC(=O)c1cc(-c2ccc(CN3CCC(C(F)(F)F)CC3)c(N3CCCC3)c2)ccc1F,OELGFHQLSVJIPN-UHFFFAOYSA-N
-rxn:4:202284:223077,COc1ccc(-c2ccc(S(=O)(=O)NC3CC3)cc2)cc1CN1CCC(N2CCCC2)CC1,YXNZLGWTFZKAGB-UHFFFAOYSA-N
-rxn:4:202290:223179,CONC(=O)c1cc(-c2ccc(S(=O)(=O)N3CCC(N4CCC(OC)C4)CC3)cc2)ccc1F,OUMUKKVRFHJWKI-UHFFFAOYSA-N
-rxn:4:202290:223279,COC1CCN(C2CCN(S(=O)(=O)c3ccc(-c4cnc(C5CCCN5)nc4)cc3)CC2)C1,VOQZCFAKKOOIGU-UHFFFAOYSA-N
-rxn:4:202290:223311,COC1CCN(C2CCN(S(=O)(=O)c3ccc(-c4cccc(C5CNC5)c4)cc3)CC2)C1,FZCHXCVRNOVFKK-UHFFFAOYSA-N
-rxn:4:202290:223312,COC1CCN(C2CCN(S(=O)(=O)c3ccc(-c4ccc(C5CNC5)cc4)cc3)CC2)C1,GIEYPQYFPZVGJM-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:4:202300:224015,COc1cc(S(=O)(=O)N2CCN(c3ccccc3)CC2)c(C)cc1-c1cc(S(=O)(=O)N2CCOCC2)c(C)cc1F,DKNHBDIFWFJYLH-UHFFFAOYSA-N
-rxn:4:202310:223279,O=S(=O)(c1ccc(-c2cnc(C3CCCN3)nc2)cc1)N1CCCSCC1CN1CCOCC1,OZBBBAJDETZGQT-UHFFFAOYSA-N
-rxn:4:202310:226340,N#Cc1cc(-c2ccc(S(=O)(=O)N3CCCSCC3CN3CCOCC3)cc2)c(Cl)c(C2CC2)c1,BTOGOIJPGBPHJB-UHFFFAOYSA-N
-rxn:4:202314:224485,CC(C)N1CCN(C(=O)c2cccc(-c3ccccc3-c3ccn([Si](C(C)C)(C(C)C)C(C)C)c3)c2)CC1,GDCAICSYXCWBDU-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:4:202328:223312,COC1CCN(C2CCN(S(=O)(=O)c3ccccc3-c3ccc(C4CNC4)cc3)CC2)CC1,BYQUEHLSOKMCRP-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:4:202340:226844,Cc1cc(S(=O)(=O)N2CCOC23CCN(C(=O)c2ccc(-c4ccnc(C(=O)C(F)(F)F)c4)o2)CC3)ccc1F,JZYAIHLNIVBORB-UHFFFAOYSA-N
-rxn:4:202344:223179,CONC(=O)c1cc(-c2ccc(S(=O)(=O)N3CCN(c4c(C)cc(C)cc4C)CC3)cc2OC)ccc1F,RVBHLQSTNRBZKE-UHFFFAOYSA-N
-rxn:4:202347:223279,Cc1ccc(S(=O)(=O)N2CCOC23CCN(C(=O)c2cccc(-c4cnc(C5CCCN5)nc4)c2)CC3)cc1,MBUMJIICEDRPRL-UHFFFAOYSA-N
-rxn:4:202348:223179,CONC(=O)c1cc(-c2ccccc2C(=O)N2CCC3(CC2)OCCN3S(=O)(=O)c2ccc(C)cc2)ccc1F,NBMLYZJJMDNORV-UHFFFAOYSA-N
-rxn:4:202349:223279,Cc1ccc(S(=O)(=O)N2CCOC23CCN(C(=O)c2ccc(-c4cnc(C5CCCN5)nc4)cc2)CC3)cc1,PJHIRXPPKCNRSW-UHFFFAOYSA-N
-rxn:4:202349:226844,Cc1ccc(S(=O)(=O)N2CCOC23CCN(C(=O)c2ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc2)CC3)cc1,QNESPIIIGUSDCM-UHFFFAOYSA-N
-rxn:4:202356:223179,CONC(=O)c1cc(-c2cc(C(C)C)c(S(=O)(=O)N3CCN(c4c(C)cccc4C)CC3)cc2C)ccc1F,AFNKCRHARCPDMI-UHFFFAOYSA-N
-rxn:4:202518:222460,COc1cc(NS(=O)(=O)c2ccc(-c3nc4c(s3)CN(C(=O)OC(C)(C)C)[C@H]4C(C)C)cc2)ccc1F,PEWDKSRQWHQPRO-QHCPKHFHSA-N
-rxn:4:202518:223044,CC(C)NC(=O)c1ccc(-c2nc3c(s2)CN(C(=O)OC(C)(C)C)[C@H]3C(C)C)cc1F,CRMUUZHMIPLBOD-IBGZPJMESA-N
-rxn:4:202518:225574,COC(=O)c1cc(C2CC2)ccc1-c1nc2c(s1)CN(C(=O)OC(C)(C)C)[C@H]2C(C)C,NYAAOTRBNACPRI-FQEVSTJZSA-N
-rxn:4:202518:225902,CON(C)C(=O)c1ccc(-c2nc3c(s2)CN(C(=O)OC(C)(C)C)[C@H]3C(C)C)cc1F,SVJRMOSRJNAGSX-SFHVURJKSA-N
-rxn:4:202521:223179,CONC(=O)c1cc(-c2ccc([N+](=O)[O-])c3c2CCN(C(=O)OC(C)(C)C)C3)ccc1F,BQCICWQYHBXTLG-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:4:202600:223279,CCOC(=O)C1=C(C)N=C2SC(C)C(=O)N2C1c1cccc(-c2cnc(C3CCCN3)nc2)c1,OKOBKLGYBZCWGU-UHFFFAOYSA-N
-rxn:4:202600:226844,CCOC(=O)C1=C(C)N=C2SC(C)C(=O)N2C1c1cccc(-c2ccnc(C(=O)C(F)(F)F)c2)c1,LCZVMLIHODKFCK-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:4:202660:226844,CCCN1C(=O)C(=C2SC(=S)N(CC(C)C)C2=O)c2cc(-c3ccnc(C(=O)C(F)(F)F)c3)ccc21,ZBZURIFKJFUEHC-UHFFFAOYSA-N
-rxn:4:202662:226589,CC1=C(C(=O)OC(C)C)C(c2cccc(-c3cc(C(F)F)ncc3C(C)C)c2)N2C(=O)C(C)SC2=N1,VCUGGVMCLYJGPL-UHFFFAOYSA-N
-rxn:4:202680:222582,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(Cl)c(-c3cccc(C(=O)NCCN4CCOCC4)c3)cnc21,YAPRVWNUSIOTRH-UHFFFAOYSA-N
-rxn:4:202683:223279,O=C(Cc1ccc(-c2cnc(C3CCCN3)nc2)cc1)N1CC(N2CC3CCCC3C2)C1,DZLHWCZQDSOUPS-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:4:202685:225313,CN1CCN(c2ccc(-c3ccc4c(ccn4CCC(=O)N4CCC5(CC4)OCCO5)c3)c(F)n2)CC1,CRWZNRKQFAQCBO-UHFFFAOYSA-N
-rxn:4:202685:226844,O=C(CCn1ccc2cc(-c3ccnc(C(=O)C(F)(F)F)c3)ccc21)N1CCC2(CC1)OCCO2,FSHRTTNALGJRMP-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:4:202695:226844,CCCN1C(=O)C(=C2SC(=S)N(Cc3ccccc3)C2=O)c2cc(-c3ccnc(C(=O)C(F)(F)F)c3)ccc21,SAADWTXGPXYRPE-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:4:202697:226844,COc1ccc(N2C(=NC(=O)c3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3)SC3CS(=O)(=O)CC32)cc1,WWQXHJOFYOSNDO-UHFFFAOYSA-N
-rxn:4:202707:226844,CSc1cccc(N2C(=O)N(Cc3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3F)C3CS(=O)(=O)CC32)c1,KEVFMHGJGMTYPQ-UHFFFAOYSA-N
-rxn:4:202708:223179,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:4:202711:226844,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:4:202713:228513,CC(C)(C)OC(=O)N1CCC(N2Cc3cc(-c4ccccc4C4CC4)ccc3C2=O)CC1,FOBHBEQZGHIMFV-UHFFFAOYSA-N
-rxn:4:202724:224420,Cc1cc2c(cc1-c1ccc(S(=O)(=O)c3c(C(=O)N4CCCCC4)cnc4ccc(F)cc34)cc1)C(C)(C)CCC2(C)C,YOVFMFPJDKFUAF-UHFFFAOYSA-N
-rxn:4:202729:226844,CCCCN1C(=O)C(=C2SC(=S)N(C3CCCC3)C2=O)c2cc(-c3ccnc(C(=O)C(F)(F)F)c3)ccc21,GTMARUCSPHULCV-UHFFFAOYSA-N
-rxn:4:202736:226844,CCCN1C(=O)C(=C2SC(=S)N(C(C)c3ccccc3)C2=O)c2cc(-c3ccnc(C(=O)C(F)(F)F)c3)ccc21,RILFBNIEVHBPCH-UHFFFAOYSA-N
-rxn:4:202754:223179,CONC(=O)c1cc(-c2ccc3c(c2)CCCN3C2CCN(C(=O)OC(C)(C)C)CC2)ccc1F,UIRNDEYABZFRKF-UHFFFAOYSA-N
-rxn:4:202756:223279,CCCCN1C(=O)C(=C2SC(=S)N(C3CCCCC3)C2=O)c2cc(-c3cnc(C4CCCN4)nc3)ccc21,RKOMUBSNZDCJDR-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:4:202800:223279,CC#Cc1cc2c(c(F)c1-c1cnc(C3CCCN3)nc1)OC[C@H]1CN(C(=O)OC(C)(C)C)CCN1C2,WILDFVNCURWLCX-ZMFCMNQTSA-N
-rxn:4:202807:226844,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1,BRYIRSTUJLGQNP-UHFFFAOYSA-N
-rxn:4:203673:224391,Cc1cc(S(=O)(=O)N2CCOCC2)ccc1-c1ccc(Cl)c(CN2CCC(C#N)CC2)c1,JNKCQRVSZVYTSN-UHFFFAOYSA-N
-rxn:4:203673:224392,Cc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1ccc(Cl)c(CN2CCC(C#N)CC2)c1,YFBSEROZVUUQAY-UHFFFAOYSA-N
-rxn:4:203673:224394,Cc1ccc(-c2ccc(Cl)c(CN3CCC(C#N)CC3)c2)cc1S(=O)(=O)N1CCOCC1,YZRSFBPYMAXDGK-UHFFFAOYSA-N
-rxn:4:203673:224396,Cc1cc(-c2ccc(Cl)c(CN3CCC(C#N)CC3)c2)ccc1S(=O)(=O)N1CCOCC1,LPISQSFVFDSSKM-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:4:203731:222716,O=C(c1ccc(-c2ccc(S(=O)(=O)NC3CCCC3)c(F)c2)o1)N1CC(N2CCCC2)C1,PXBRKNZXFBXUHR-UHFFFAOYSA-N
-rxn:4:203731:222817,COc1ccc(S(=O)(=O)NC2CC2)cc1-c1ccc(C(=O)N2CC(N3CCCC3)C2)o1,FWSSAJJZKQXKIN-UHFFFAOYSA-N
-rxn:4:203734:222718,COC1CCN(c2cc(-c3cc(S(=O)(=O)N4CCNCC4)ccc3C)ccc2C#N)CC1,XQNKUNYOOVPLGT-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:4:203760:223179,CONC(=O)c1cc(-c2cc(N3CCC(C(F)(F)F)CC3)c([N+](=O)[O-])cc2F)ccc1F,VPRGDUCOIYOZFX-UHFFFAOYSA-N
-rxn:4:203825:224489,CC(C)N(Cc1ccc(F)cc1-c1ccc(C(=O)N2CCN(S(C)(=O)=O)CC2)cc1)C(C)C,LYUUICNFYCZFTR-UHFFFAOYSA-N
-rxn:4:203833:223179,CONC(=O)c1cc(-c2ccc(C(=O)N3CCC(N4C(=O)CSC4=O)CC3)o2)ccc1F,WHRMBDLARCKYJU-UHFFFAOYSA-N
-rxn:4:203840:223179,CONC(=O)c1cc(-c2ccc(C(=O)CC3C(=O)N(C)C(=O)N(C)C3=O)cc2)ccc1F,LDVJBZJJXVCEJP-UHFFFAOYSA-N
-rxn:4:203891:222817,COc1ccc(S(=O)(=O)NC2CC2)cc1-c1cccc(C(=O)N2CC(N3CCCC3)C2)c1,CEIUMQMRATYOJV-UHFFFAOYSA-N
-rxn:4:203892:222817,COc1ccc(S(=O)(=O)NC2CC2)cc1-c1ccccc1C(=O)N1CC(N2CCCC2)C1,ZUATXBBYGJKWDK-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:4:203914:226844,CN1CCN(S(=O)(=O)c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)c(C(F)(F)F)c2)CC1,CGKHHSJPFWPZPX-UHFFFAOYSA-N
-rxn:4:203915:226844,O=C1COC(=O)N1C1CCN(S(=O)(=O)c2ccccc2-c2ccnc(C(=O)C(F)(F)F)c2)C1,JYGLQBOSLKPUIX-UHFFFAOYSA-N
-rxn:4:203937:222846,N#Cc1ccc(C2CCCNC2)cc1-c1ccccc1S(=O)(=O)N1CC(N2CCCC2)C1,KUEDVKPWQXHHCO-UHFFFAOYSA-N
-rxn:4:203937:222886,N#Cc1cc(N2CCNCC2)ccc1-c1ccccc1S(=O)(=O)N1CC(N2CCCC2)C1,PSYOIFMPRXBAJL-UHFFFAOYSA-N
-rxn:4:204031:224491,CC(C)N(Cc1cc(-c2ccccc2N2CCN(S(=O)(=O)C(C)C)CC2)ccc1F)C(C)C,GHCNEUKUUYKCKZ-UHFFFAOYSA-N
-rxn:4:204054:223179,CONC(=O)c1cc(-c2ccc(C(=O)N3CCCN(C4CCOC4)CC3)o2)ccc1F,GVKOMOBARDVVJA-UHFFFAOYSA-N
-rxn:4:204054:226844,O=C(c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)o1)N1CCCN(C2CCOC2)CC1,UMFLGRAAJBWJJQ-UHFFFAOYSA-N
-rxn:4:204073:223179,CONC(=O)c1cc(-c2cc(S(=O)(=O)N3CCN(C(C)=O)CC3)c(C)cc2C)ccc1F,HTZMXPPWFMGEJV-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:4:204074:226844,CC(=O)N1CCN(S(=O)(=O)c2cc(C)c(C)cc2-c2ccnc(C(=O)C(F)(F)F)c2)CC1,DJEXLKRDVVBNJI-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:4:204114:226844,O=C(c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)o1)N1CCCN(C2CCSCC2)CC1,HVMDVPNTDSXAJV-UHFFFAOYSA-N
-rxn:4:204115:223179,CONC(=O)c1cc(-c2ccccc2S(=O)(=O)N2CCCN(C3CCC3)CC2)ccc1F,DWXRIZTWDRZXTL-UHFFFAOYSA-N
-rxn:4:204116:226844,O=C(c1cccc(-c2ccnc(C(=O)C(F)(F)F)c2)c1)N1CCCN(C2CCOC2)CC1,JDRCYQAKNYSHHW-UHFFFAOYSA-N
-rxn:4:204118:226844,O=C(c1ccccc1-c1ccnc(C(=O)C(F)(F)F)c1)N1CCCN(C2CCSC2)CC1,KEVDUGUXMCCIOY-UHFFFAOYSA-N
-rxn:4:204120:226844,O=C(c1cc(-c2ccc(CN3CCCC(F)(F)C3)c(N3CCCC3)c2)ccn1)C(F)(F)F,KXGKAMNNQXLGKS-UHFFFAOYSA-N
-rxn:4:204135:226844,O=C(c1cc(-c2ccccc2S(=O)(=O)N2CCCN(C3CCSC3)CC2)ccn1)C(F)(F)F,PDDYJTBNMDQJEP-UHFFFAOYSA-N
-rxn:4:204150:226844,O=C(c1cccc(-c2ccnc(C(=O)C(F)(F)F)c2)c1)N1CCCN(C2CCSCC2)CC1,HNUWUPNMZNXMAK-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:4:204164:226844,O=C(c1ccc(Cl)cc1)N1C(=S)C(c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2)=NC12CCCCC2,ZSJQORPYXBVPEK-UHFFFAOYSA-N
-rxn:4:204175:223179,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:4:204509:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2nc3c(s2)CCN(C(=O)OC(C)(C)C)C3)cc1,VPLOITBJRWLSAK-UHFFFAOYSA-N
-rxn:4:204595:222945,CC(C)NS(=O)(=O)c1ccc(-c2nc3c(s2)CCN(C(=O)OC(C)(C)C)CC3)cc1F,GJJSCEGWWZCMJE-UHFFFAOYSA-N
-rxn:4:204648:222716,O=C(c1ccc(-c2ccc(S(=O)(=O)NC3CCCC3)c(F)c2)o1)N1CC(N2CCc3sccc3C2)C1,JXYAQANNTRFBON-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:4:204691:226844,CCCCN1C(=O)C(=C2SC(=S)N(C)C2=O)c2cc(-c3ccnc(C(=O)C(F)(F)F)c3)ccc21,YLHNQCTVVKDOBN-UHFFFAOYSA-N
-rxn:4:204700:223179,CONC(=O)c1cc(-c2ccc(C(=O)N3CC(N4C(=O)C5CC=CCC5C4=O)C3)o2)ccc1F,OYADHKYQNLQORS-UHFFFAOYSA-N
-rxn:4:204722:223978,CC(C)C(=O)N=C1SC2CS(=O)(=O)CC2N1c1cccc(-c2ccc(C(=O)OC(C)(C)C)c(C(F)(F)F)c2)c1,FBQFNYRLCLNAFW-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:4:204739:223179,CCC(C)N1C(=O)C(=C2C(=O)N(CC)c3ccc(-c4ccc(F)c(C(=O)NOC)c4)cc32)SC1=S,LXLOFNJYAGZWQF-UHFFFAOYSA-N
-rxn:4:204739:226844,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:4:204744:226844,O=C(c1ccccc1-c1ccnc(C(=O)C(F)(F)F)c1)N1CC(N2C(=O)C3CC=CCC3C2=O)C1,DZDCDTLOYAWXGG-UHFFFAOYSA-N
-rxn:4:204756:223179,CONC(=O)c1cc(-c2ccc(C(=O)N3CC(N4CC5CCCC5C4)C3)cc2)ccc1F,BTZGNJADLJPZLO-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:4:204775:226844,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:4:204780:223279,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:4:204796:226844,O=C(C1=CN(c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2)c2cc(Cl)ccc2S1(=O)=O)N1CCCC1,IIUUAOAOWVNSKE-UHFFFAOYSA-N
-rxn:4:204797:226844,O=C(C1=CN(c2cccc(-c3ccnc(C(=O)C(F)(F)F)c3)c2)c2cc(Cl)ccc2S1(=O)=O)N1CCCC1,HBLKWQYTEFHSTH-UHFFFAOYSA-N
-rxn:4:204798:226844,O=C(C1=CN(c2cccc(-c3ccnc(C(=O)C(F)(F)F)c3)c2)c2cc(F)ccc2S1(=O)=O)N1CCCC1,VQXOPXZWACIDOU-UHFFFAOYSA-N
-rxn:4:204804:226844,O=C1CCC(=O)N1C1CC2CCC(C1)N2S(=O)(=O)c1ccccc1-c1ccnc(C(=O)C(F)(F)F)c1,AJLOGLSENZZLRV-UHFFFAOYSA-N
-rxn:4:204805:226844,O=C(C1=CN(c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2)c2ccccc2S1(=O)=O)N1CCOCC1,DHFBIVSYTPGTLI-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:4:204816:223179,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:4:204835:223279,O=C(C1=CN(c2ccc(-c3cnc(C4CCCN4)nc3)cc2)c2cc(Cl)ccc2S1(=O)=O)N1CCCCC1,LGBRGWPHBHAQKY-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:4:204866:227284,CC1CCN(C(=O)C2=CN(c3ccc(-c4cc(C#N)ncc4C4CC4)cc3)c3ccccc3S2(=O)=O)CC1,PYANZRWJQRNFKQ-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:4:204946:224421,Cc1ccc(N2C(=O)N(C(=O)c3ccc(-c4c(C(C)C)cc(C(C)C)cc4C(C)C)o3)C3CC2(C)Oc2ccccc23)cc1,SUGQEEUSHWTIII-UHFFFAOYSA-N
-rxn:4:206357:222524,O=C(c1cnccc1-c1cc(F)c(F)cc1S(=O)(=O)N1CCC(O)CC1)N1CCSCC1,ZBQKAJOCSYLYNO-UHFFFAOYSA-N
-rxn:4:206388:222524,O=C(c1cncc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC(O)CC2)c1)N1CCSCC1,CFRFYACURHBAEC-UHFFFAOYSA-N
-rxn:4:206450:223498,CC(C)(C)OC(=O)N1CCCN(C(=O)c2ccc(-c3cnc(N4CCCC4)cc3C(F)(F)F)cc2)CC1,KXXBMXSWRBUVRL-UHFFFAOYSA-N
-rxn:4:206715:222524,Cc1nc(C(=O)N2CCSCC2)ccc1-c1cc(F)c(F)cc1S(=O)(=O)N1CCC(O)CC1,IHVFGJHJTLAPRI-UHFFFAOYSA-N
-rxn:4:207003:224018,COc1c(-c2cc(F)c(F)cc2S(=O)(=O)N2CCOCC2)cccc1N1CCN(C)CC1,WAGWPPANQFXDCN-UHFFFAOYSA-N
-rxn:4:207073:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(N2CCN(C)CC2)cc1C1CC1,ZTTDSESWRUABMR-UHFFFAOYSA-N
-rxn:4:207085:223054,Cc1cc(C)c(S(=O)(=O)N2CCN(C)CC2)cc1-c1ccc(C(C)N2CCC(O)C2)s1,HYAKPYIWBFDDCA-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:4:207091:226844,O=C1CC(N2CCCCCC2)C(=O)N1c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1,DKCIOGDJXBGNHX-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:4:207759:226844,CC(=O)N=C1SC2CS(=O)(=O)CC2N1c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1Cl,GGDUEAWYAJNLCT-UHFFFAOYSA-N
-rxn:4:207769:223279,CCCN1C(=O)C(=C2SC(=S)N(C)C2=O)c2cc(-c3cnc(C4CCCN4)nc3)ccc21,ZUPYSPFBSMRPOT-UHFFFAOYSA-N
-rxn:4:207846:223279,CCN1C(=O)C(=C2SC(=S)N(C3CCCC3)C2=O)c2cc(-c3cnc(C4CCCN4)nc3)ccc21,WLSIYSMGRADFLL-UHFFFAOYSA-N
-rxn:4:207850:223557,Cc1ccc(N2C(=O)N(c3ccc(-c4c(F)ccc5c4ccn5[Si](C(C)C)(C(C)C)C(C)C)cc3)C3CS(=O)(=O)CC32)cc1,ZOCBSDTVNBRQTR-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:4:207890:222615,Cc1c(-c2cc(CC(C)C)cc(C3CCNCC3)c2)cnn1CC12CC3CC(CC(C3)C1)C2,SUDOYILDOYJLIU-UHFFFAOYSA-N
-rxn:4:209799:223650,Cc1nc(-c2ccccc2N2CCN(C(=O)OC(C)(C)C)CC2)cc(C2CCOCC2)n1,YQYGYDUMIVLPJC-UHFFFAOYSA-N
-rxn:4:209830:223649,CC1CCCCN1c1ccnc(-c2cccc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)c1,ZXKDCNFSAHAVKF-UHFFFAOYSA-N
-rxn:4:210975:222465,c1cc(N2CC3CCCC3C2)ncc1-c1cc(C2CCCCC2)nc(C2CCCNC2)c1,YCFGNGUKDNXRQB-UHFFFAOYSA-N
-rxn:4:211042:224485,CC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2cccc3c2CN(C2CCC(=O)N(C)C2=O)C3=O)c1,HBDHHXGJIXAVHJ-UHFFFAOYSA-N
-rxn:4:211056:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc2c(c1)C(N1CCN(C)CC1)CC2,CWDCUCRBDSCIPH-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:4:211096:222466,c1ccc(C2=NN3C(C2)c2cc(-c4cc(C5CCCCC5)nc(C5CCNCC5)c4)ccc2OC32CCCC2)cc1,LVOJEDPIKKLZAB-UHFFFAOYSA-N
-rxn:4:211100:226432,CC1CCC2(CC1)Oc1ccc(-c3ccc(C4CCCC4)nc3F)cc1C1CC(c3ccc(Cl)cc3)=NN12,AGMNVCYYIAMFEY-UHFFFAOYSA-N
-rxn:4:212491:224015,Cc1cc(F)c(-c2ccc3c(c2)C2CN(C)CCN2CC3)cc1S(=O)(=O)N1CCOCC1,NAUBVIQDZFBJKN-UHFFFAOYSA-N
-rxn:4:212521:223179,CONC(=O)c1cc(-c2cnc(OC3CCN(S(=O)(=O)CCC(F)(F)F)C3)nc2)ccc1F,GZNZPVGLDAVQPA-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:4:212546:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cnn(C)c1CN(C(=O)OC(C)(C)C)C1CC1,SGHMLBRKTOHZNM-UHFFFAOYSA-N
-rxn:4:212571:223179,CONC(=O)c1cc(-c2cn(C)nc2OCC2CN(C(=O)OC(C)(C)C)C2)ccc1F,CJZWEHNSUUKEDH-UHFFFAOYSA-N
-rxn:4:212571:226844,Cn1cc(-c2ccnc(C(=O)C(F)(F)F)c2)c(OCC2CN(C(=O)OC(C)(C)C)C2)n1,OGGRNWWYAPPJGT-UHFFFAOYSA-N
-rxn:4:212594:226844,O=C(CSC1CCCC1)N1CCC(Oc2ncc(-c3ccnc(C(=O)C(F)(F)F)c3)cn2)C1,CSSCXIVKYWXWGE-UHFFFAOYSA-N
-rxn:4:212605:223179,CONC(=O)c1cc(-c2cn(C)nc2OCC2CCN(C(=O)OC(C)(C)C)C2)ccc1F,BYYFGXQPXOKCRF-UHFFFAOYSA-N
-rxn:4:212607:224153,CCC(CC)C(=O)N1CCC(Oc2ncc(-c3cc(N4CCCC4)cc(N4CCCC4)c3)cn2)CC1,RAAXHHPGCVFWSC-UHFFFAOYSA-N
-rxn:4:212607:226844,CCC(CC)C(=O)N1CCC(Oc2ncc(-c3ccnc(C(=O)C(F)(F)F)c3)cn2)CC1,ZQCCCMYPEYHEHL-UHFFFAOYSA-N
-rxn:4:212618:222795,CC(C)(C)OC(=O)N1CCCC(COc2cnc(-c3ccc(NC(=O)N4CCOCC4)cc3)cn2)C1,ZSCMUPJDCKUUQA-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:4:212619:226844,CC(C)(C)OC(=O)N1CCCC(COc2ncc(-c3ccnc(C(=O)C(F)(F)F)c3)cn2)C1,NUOKHJPKZLJKRI-UHFFFAOYSA-N
-rxn:4:212628:226844,O=C(Cc1cccc(C(F)(F)F)c1)N1CCCC(Oc2ncc(-c3ccnc(C(=O)C(F)(F)F)c3)cn2)C1,FOBLQIBCTHWRDY-UHFFFAOYSA-N
-rxn:4:212634:223179,CONC(=O)c1cc(-c2cn(C)nc2CN(C(=O)OC(C)(C)C)C2CCCC2)ccc1F,UIRGXEOTWLDRJO-UHFFFAOYSA-N
-rxn:4:212634:226844,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:4:212641:226844,COCCN1C(=O)CN(C2CCN(C(=O)c3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)o3)CC2)C1=O,KCYPOHUZPWEHSU-UHFFFAOYSA-N
-rxn:4:212645:223279,Cn1cc(-c2cnc(C3CCCN3)nc2)c(CN(C(=O)OC(C)(C)C)C2CCOCC2)n1,GINXYIHKDFRXJE-UHFFFAOYSA-N
-rxn:4:212648:226844,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:4:212650:226844,CC(C)(C)CC(=O)N1CCCC(COc2ncc(-c3ccnc(C(=O)C(F)(F)F)c3)cn2)C1,LYOHZARZAURDJD-UHFFFAOYSA-N
-rxn:4:212651:223179,CONC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2CN2CCN(C(=O)OC(C)(C)C)CC2)ccc1F,WKIINGSCVYQUMT-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:4:212653:223279,COC(=O)c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)c(-c2cnc(C3CCCN3)nc2)n1,LJAHGDAGRQJLOM-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:4:212685:223279,COC(=O)c1ccc(N2CCN(S(=O)(=O)c3ccc(-c4cnc(C5CCCN5)nc4)cc3)CC2)c([N+](=O)[O-])c1,XLZDQUZVWITLKP-UHFFFAOYSA-N
-rxn:4:212689:226844,Cn1cc(-c2ccnc(C(=O)C(F)(F)F)c2)c(CN(C(=O)OC(C)(C)C)C2CCCCC2)n1,VVOAYXUDVLZHAS-UHFFFAOYSA-N
-rxn:4:212690:226844,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:4:212709:223179,CCOC(=O)c1c(-c2ccc(F)c(C(=O)NOC)c2)c(CN2CCC(=Cc3ccccc3)CC2)nn1C,UBLGNISRPVVZPO-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:4:212720:223279,CN(C(=O)c1ccc(-c2cnc(C3CCCN3)nc2)nc1)C1CCCN(C(=O)OC(C)(C)C)CC1,UFEMNFDWUKKWII-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:4:212739:223279,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cnc(C4CCCN4)nc3)cc2N2CCCCC2)CC1,SNGIMVHCJAHNSZ-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:4:212742:226844,CC1CN(C(=O)OC(C)(C)C)CCN1Cc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1N1CCCC1,AWGYPPDPMMOTOD-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:4:212748:226844,CC1CN(c2cc(CN3CCCCC3)cc(-c3ccnc(C(=O)C(F)(F)F)c3)c2)CCN1C(=O)OC(C)(C)C,ADHHLEDEUZLZDE-UHFFFAOYSA-N
-rxn:4:212751:223279,CC1CN(c2cc(CN3CCC(F)(F)CC3)cc(-c3cnc(C4CCCN4)nc3)c2)CCN1C(=O)OC(C)(C)C,ZMQZVHYZIXOPLA-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:4:212771:226844,CN(C)CCN(C(=O)C1=COCCO1)c1nc2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2s1,OHXCVCCLLLTOCE-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:4:212784:226844,CCOC(=O)N1CCN(C(=O)Cn2ccc3cc(-c4ccnc(C(=O)C(F)(F)F)c4)ccc32)CC1,ZAUARUBJPRCMRM-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:4:212798:223179,CONC(=O)c1cc(-c2ccc(COc3cccc4c3C(=O)N(N(C)c3ncc(C(F)(F)F)cc3Cl)C4=O)cc2)ccc1F,KQLBGUZCAUYNNK-UHFFFAOYSA-N
-rxn:4:212806:226844,COCCn1c(=NC(=O)c2ccc(N3C(=O)CCC3=O)cc2)sc2cc(-c3ccnc(C(=O)C(F)(F)F)c3)ccc21,MAYNYIGXYNRREE-UHFFFAOYSA-N
-rxn:4:212823:223179,CONC(=O)c1cc(-c2ccc3c(ccn3CC(=O)N3CCN(S(=O)(=O)c4ccc(OC)cc4)CC3)c2)ccc1F,XUNXSCCJIAOCIH-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:4:212828:226844,COc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)c(C(=O)N(Cc2nn(C)c3c2CCC3)C2CCCC2)c1,BIQUAYPOWKKBCK-UHFFFAOYSA-N
-rxn:4:212829:226844,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:4:212830:223179,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:4:212830:226844,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:4:212831:223279,COC(=O)CN1C(CN2CCOCC2)=Nc2ccc(-c3cnc(C4CCCN4)nc3)cc2C1c1ccccc1,LYEMNGZZFLICEK-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:4:212989:223179,CONC(=O)c1cc(-c2ncc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)s2)ccc1F,NNFUZJWUQAUTMF-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:4:213010:223179,CONC(=O)c1cc(-c2cnn(C[C@@H]3CN(C(=O)OC(C)(C)C)CCO3)c2)ccc1F,ZZIOBJFKMILPJD-INIZCTEOSA-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:4:213040:226844,Cc1nc(-c2ccnc(C(=O)C(F)(F)F)c2)cnc1OC1CCN(C(=O)OC(C)(C)C)C1,KMKJFTACYROVMY-UHFFFAOYSA-N
-rxn:4:213042:226844,CC(C)(C)OC(=O)N1CCCC(Oc2cnc(-c3ccnc(C(=O)C(F)(F)F)c3)cn2)C1,OQVQRSPILCOWNW-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:4:213066:223179,CONC(=O)c1cc(-c2ccc(C(=O)N3CCC(N4CC(=O)N(CC(F)(F)F)C4=O)CC3)o2)ccc1F,IBKOSPTWLIZEPG-UHFFFAOYSA-N
-rxn:4:213075:226844,CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(-c3ccnc(C(=O)C(F)(F)F)c3)n2)CC1,CKWVJPKKYDPQHS-UHFFFAOYSA-N
-rxn:4:213079:226844,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)nc2)CC1,KSYXVTLIZHVOIN-UHFFFAOYSA-N
-rxn:4:213081:226844,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2C#N)CC1,ZQONSYIXWXVVHD-UHFFFAOYSA-N
-rxn:4:213088:226844,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:4:213093:223279,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(C4CCCN4)nc3)c(C#N)c2)CC1,WBZQAJAMYKUXPI-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:4:213094:226844,CC(C)(C)OC(=O)N1CCN(c2c(C#N)cccc2-c2ccnc(C(=O)C(F)(F)F)c2)CC1,CSRBVCXKXVKMJT-UHFFFAOYSA-N
-rxn:4:213096:226844,CC(C)(C)OC(=O)N1CCN(c2cc(-c3ccnc(C(=O)C(F)(F)F)c3)ccc2C#N)CC1,RFWJCRGEULTFLD-UHFFFAOYSA-N
-rxn:4:213097:226844,CC(C)(C)OC(=O)N1CCC(C#N)(c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cn2)CC1,JGUQJLFOKQWCPA-UHFFFAOYSA-N
-rxn:4:213098:223279,CC(C)(C)OC(=O)N1CCN(c2cc(C#N)cc(-c3cnc(C4CCCN4)nc3)c2)CC1,RCUJZOKPVBKUSA-UHFFFAOYSA-N
-rxn:4:213123:222541,O=C(NCCN1CCCCC1)c1ccc(-c2ccccc2CC(=O)N2CCN(c3ccnc(C(F)(F)F)c3)C(=O)C2)cc1,GZMFPGBKWPKORJ-UHFFFAOYSA-N
-rxn:4:213123:223096,CC(=O)Nc1ccc([N+](=O)[O-])c(-c2ccccc2CC(=O)N2CCN(c3ccnc(C(F)(F)F)c3)C(=O)C2)c1,LVTIZHLIGNDUOK-UHFFFAOYSA-N
-rxn:4:213124:226329,CC(C)CN(c1ncc(-c2ccc(C3(C#N)CC3)c(F)c2)cc1[N+](=O)[O-])C1CCCCC1,NMOMZGMQMBHBAD-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:4:213127:226844,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3ccnc(C(=O)C(F)(F)F)c3)ccn2)CC1,SGROTPINWCEICX-UHFFFAOYSA-N
-rxn:4:213133:226844,O=C(c1cc(-c2cnc(OCC3CCN(CC4CCCO4)CC3)nc2)ccn1)C(F)(F)F,NXFWWDLLWMDZLY-UHFFFAOYSA-N
-rxn:4:213134:226844,CCC(C)(C)C(=O)N1CCC(Oc2ncc(-c3ccnc(C(=O)C(F)(F)F)c3)cn2)CC1,ZAWSPZMEOQUUBB-UHFFFAOYSA-N
-rxn:4:213135:223179,CONC(=O)c1cc(-c2cnc(OC3CCN(C(=O)CC(C)(C)C)CC3)nc2)ccc1F,MYAUJMVCYPRXLC-UHFFFAOYSA-N
-rxn:4:213138:226844,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3ccnc(C(=O)C(F)(F)F)c3)cnc2F)CC1,BWXVZQSDUKIDKP-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:4:213141:226844,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:4:213142:223179,CONC(=O)c1cc(-c2cccc(N3CCN(C(=O)OC(C)(C)C)CC3)c2[N+](=O)[O-])ccc1F,FCIOBZBHGZALDC-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:4:213147:223179,CONC(=O)c1cc(-c2cncc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)ccc1F,JOWIUZPVEIEKLC-UHFFFAOYSA-N
-rxn:4:213148:223996,COc1cccc(CN2CCC(Oc3ncc(-c4ccc(N5CCN(C)CC5)cc4C(F)(F)F)cn3)CC2)c1,PQOYGNJEMHQVCS-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:4:213164:224874,O=C(C1CCCC1)N1CCCC(COc2ncc(-c3cccc(COC4CCCCC4)c3)cn2)C1,DSYUAVJCBMIYCF-UHFFFAOYSA-N
-rxn:4:213183:225160,CC(C)(C)OC(=O)N1CCC[C@H]1c1nc(-c2ccc(-c3ccc(Cl)c(C(=O)N4CCCC4)c3)cc2)no1,JCEKDJILLOJDNV-QHCPKHFHSA-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:4:213197:223279,CCOC(=O)N1CCN(C2CC(=O)N(c3ccc(-c4cnc(C5CCCN5)nc4)cc3)C2=O)CC1,YFDWDGQKXIQUDJ-UHFFFAOYSA-N
-rxn:4:213201:225115,CCOc1c(Cl)cc(-c2ccccc2S(=O)(=O)N2CCC(COc3cc(C)ncn3)CC2)cc1OC(C)C,FQYXMOKMAJAZLC-UHFFFAOYSA-N
-rxn:4:213215:223179,CONC(=O)c1cc(-c2cnc(OCC3CCN(CC4CCOCC4)CC3)nc2)ccc1F,XHQLWNZQCOQRHT-UHFFFAOYSA-N
-rxn:4:213216:226844,O=C(c1cc(-c2cnc(OCC3CCCN(CC4CCCCO4)C3)nc2)ccn1)C(F)(F)F,NQXYOFOEBGHHAY-UHFFFAOYSA-N
-rxn:4:213218:223064,C[C@H]1CN(Cc2ccc(-c3ccc(C4CCNCC4)nc3F)cn2)CCN1C(=O)OC(C)(C)C,IASBIXJJYCCCER-SFHVURJKSA-N
-rxn:4:213218:223279,C[C@H]1CN(Cc2ccc(-c3cnc(C4CCCN4)nc3)cn2)CCN1C(=O)OC(C)(C)C,MRCHYZKUGFZUHB-PBVYKCSPSA-N
-rxn:4:213220:223179,CONC(=O)c1cc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)C(C)C3)c([N+](=O)[O-])c2)ccc1F,SCPIVKLSAXJPME-UHFFFAOYSA-N
-rxn:4:213228:223179,CONC(=O)c1cc(-c2cncc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)C(C)C3)c2)ccc1F,OBFNIPSMEKVNCQ-UHFFFAOYSA-N
-rxn:4:213237:226844,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:4:213243:223179,CONC(=O)c1cc(-c2ccc(CN3CCN(CC(=O)N4CCOCC4)CC3)cc2)ccc1F,KEENSINSASYXEA-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:4:213259:226844,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:4:213265:226844,O=C(c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)o1)N1CCC(N2CCC(Oc3nccs3)CC2)CC1,SAPAIOPRGKVVDQ-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:4:213290:226844,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:4:213349:224613,CN(C(=O)OC(C)(C)C)c1cccc(-c2nn(Cc3ccccc3)c3c2CN(C(=O)OC(C)(C)C)C3)c1,XRENBARHKVKNGI-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:4:213354:226844,CC(C)(C)OC(=O)N1C2CC1CN(Cc1ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cn1)C2,MPXMTZBPOZTKQW-UHFFFAOYSA-N
-rxn:4:213355:226859,CC(C)CS(=O)(=O)C1CN(C(=O)c2c3ccc(-c4ccc(OC(F)(F)F)cc4Cl)cc3nn2C)C1,SUKDQUUYVHDGNO-UHFFFAOYSA-N
-rxn:4:213363:223997,COc1ccc2sc(OC3CCN(C(=O)c4cncc(-c5cc(C)c(S(=O)(=O)N6CCOCC6)c(C)c5)c4)CC3)nc2c1,LKNNMSKNWAQHAB-UHFFFAOYSA-N
-rxn:4:213412:227712,CC(C)CS(=O)(=O)C1CCN(C(=O)c2c3ccc(-c4ccc(OC(F)F)c(F)c4)cc3nn2C)CC1,FIGZVMRDFZVJKV-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:4:213440:223179,CONC(=O)c1cc(-c2ccc3ccn(CC(=O)N4CCN(C(=O)C5COc6ccccc6O5)CC4)c3c2)ccc1F,ZZLHHXKZUUEJDN-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:4:213469:226844,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:4:213471:226844,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:4:213472:223179,CONC(=O)c1cc(-c2ccccc2C(=O)N2CCN(CCN3C(=O)c4cccc5cccc(c45)C3=O)CC2)ccc1F,KXQJOEDJHOIMHR-UHFFFAOYSA-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:4:213703:223497,CC(c1ccc(-c2ccc(C#N)c(Oc3cnn(C4CCCCO4)c3)c2)cc1)N1CCC(O[Si](C)(C)C(C)(C)C)CC1,GHRKDTCZMBPDTE-UHFFFAOYSA-N
-rxn:4:213772:223595,Cc1cnn(CC2CN(Cc3ccc(-c4ccc(N5CCN(C(=O)OC(C)(C)C)CC5)c(F)c4)cc3)C2)c1,QXMLBLOBRBIBKU-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:4:213846:226844,CN(C)S(=O)(=O)N1CCN(C(=O)c2cccc(-c3ccnc(C(=O)C(F)(F)F)c3)c2)CC1,ARCMFKORESSHIZ-UHFFFAOYSA-N
-rxn:4:213878:226844,CC(C)(C)OC(=O)N1CC2(CC(n3cc(-c4ccnc(C(=O)C(F)(F)F)c4)cn3)C2)C1,TVZLTJRXJCJRSK-UHFFFAOYSA-N
-rxn:4:213883:223179,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:4:213902:226844,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2F)CC1,KMCQIPXHPCOBLH-UHFFFAOYSA-N
-rxn:4:213910:223179,CONC(=O)c1cc(-c2cccnc2OC2CCN(S(=O)(=O)N3CCOCC3)C2)ccc1F,GKYMIQVXPWRVLP-UHFFFAOYSA-N
-rxn:4:213923:223834,Cc1cc(-c2ccc([N+](=O)[O-])c(N3CCN(Cc4ccccc4)CC3)c2)cc(C)c1S(=O)(=O)N1CCN(C)CC1,NLUIGSYWMCRCCN-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:4:213933:226844,O=C(c1cc(-c2cc(C(F)(F)F)cnc2N2CCCN(S(=O)(=O)C3CC3)CC2)ccn1)C(F)(F)F,NXGVGJLWGNXUPX-UHFFFAOYSA-N
-rxn:4:213942:226844,Cc1nn(C2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccnc(C(=O)C(F)(F)F)c1,VQDPNBRRAYYMRV-UHFFFAOYSA-N
-rxn:4:213943:226844,CC(C)(C)OC(=O)N1CCC(C)(c2[nH]ncc2-c2ccnc(C(=O)C(F)(F)F)c2)CC1,SZFXKCYZZMJCGC-UHFFFAOYSA-N
-rxn:4:213944:226844,CC1CN(C(=O)OC(C)(C)C)CCC1c1ncc(-c2ccnc(C(=O)C(F)(F)F)c2)[nH]1,HIXOIHTZDLPHFU-UHFFFAOYSA-N
-rxn:4:213946:226844,CC1CN(C(=O)OC(C)(C)C)CCC1n1cc(-c2ccnc(C(=O)C(F)(F)F)c2)cn1,ILOOHGDUWIZOGN-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:4:213954:226844,O=C1C(N2CCC(Oc3ccncc3-c3ccnc(C(=O)C(F)(F)F)c3)C2)CCN1C1CC1,CDMAMUBKUCVDPG-UHFFFAOYSA-N
-rxn:4:213955:223179,CONC(=O)c1cc(-c2cnc(OC3CCN(C(=O)C4CC=CCC4)CC3)nc2)ccc1F,KGPVCYXQCWWBGY-UHFFFAOYSA-N
-rxn:4:213965:223929,Cc1cnc(OC2CCN(Cc3cc(F)ccc3-c3cnc4c(c3)CCN(C(=O)OC(C)(C)C)C4)CC2)nc1,ICNXTEICXICQKS-UHFFFAOYSA-N
-rxn:4:213972:227441,O=C(C1CN(c2ncc(-c3cnc(C4CCC4)c(Cl)c3)cc2C(F)(F)F)CCO1)N1CCOCC1,GEJGDFAEXBQYOS-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:4:213980:226844,CC1CN(C(=O)OC(C)(C)C)CCC1c1nccc(-c2ccnc(C(=O)C(F)(F)F)c2)n1,IUZORMPLRHZFSB-UHFFFAOYSA-N
-rxn:4:213982:223179,CONC(=O)c1cc(-c2cc(C3CCN(C(=O)OC(C)(C)C)CC3C)ncn2)ccc1F,YFTKOCCVNPRGKO-UHFFFAOYSA-N
-rxn:4:213985:223179,CONC(=O)c1cc(-c2cc(C)cnc2N2CCN(C(=O)OC(C)(C)C)CC2)ccc1F,FUEPURJNOHSNCA-UHFFFAOYSA-N
-rxn:4:213989:223179,CONC(=O)c1cc(-c2cnc(OCC3CCCN(C4CCOCC4)C3)nc2)ccc1F,KFVORFYAYLFNSA-UHFFFAOYSA-N
-rxn:4:213997:223179,CONC(=O)c1cc(-c2cnccc2N2CCN(C(=O)OC(C)(C)C)C(C)C2)ccc1F,FTWHTJXREDVYOP-UHFFFAOYSA-N
-rxn:4:213997:226844,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:4:214008:224170,CC(C)c1sc(-c2ccc(OCCCN3CCCC3)c(Cl)c2)nc1C(=O)N1CCN(c2ccc(F)cc2)CC1,QKFMQQVZKYXUNV-UHFFFAOYSA-N
-rxn:4:214011:224687,Cc1nn(S(=O)(=O)c2ccc(-c3cc(F)cc(CN4CCC(=O)CC4)c3)cc2)c(C)c1S(=O)(=O)N1CCCC1,ZPTAHLHIVGNOEC-UHFFFAOYSA-N
-rxn:4:214024:226477,CCCCOc1ncc(Cl)cc1-c1cnc(OC2CCN(C(=O)C3CCC(F)(F)CC3)CC2)nc1,KNKPRIPOAPCLLH-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:4:214033:222593,Cc1cccc(NS(=O)(=O)c2ccc(-c3cc(C4=N[C@@H](C(C)C)CO4)nc(C4=N[C@@H](C(C)C)CO4)c3)cc2)c1,RYRXEIGNXLSZBZ-VSGBNLITSA-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:4:214034:228277,COc1ccc(F)c(C)c1-c1cccc(C(=O)N2CCN(C(=O)N3CCCCC3)CC2)c1,FDFJGWBITTZCTA-UHFFFAOYSA-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:4:214048:226844,Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2C)ncc1-c1ccnc(C(=O)C(F)(F)F)c1,HZDLFLQHPMBKCN-UHFFFAOYSA-N
-rxn:4:214056:226844,CC(=O)N1CCN(C2=NC(=O)C(=Cc3ccc(-c4ccccc4-c4ccnc(C(=O)C(F)(F)F)c4)o3)S2)CC1,ZDCWZVQAPODZEK-UHFFFAOYSA-N
-rxn:4:214058:226844,COC1CCN(C2CCN(C(=O)c3cncc(-c4ccnc(C(=O)C(F)(F)F)c4)c3)CC2)CC1,VYLNXIKVQHSDTI-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:4:214075:226844,O=C1CN(C2CCN(Cc3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3)CC2)C(=O)N1c1ccccc1,VTZVSMLFBQPPHR-UHFFFAOYSA-N
-rxn:4:214080:224589,CC1CCN(Cc2cc(F)ccc2-c2ccc(C(=O)N3CCC(n4nc(C(C)(C)C)ccc4=O)CC3)cc2)CC1,JTBDNBFZTSFCEL-UHFFFAOYSA-N
-rxn:4:214085:223279,Cc1ccc([N+](=O)[O-])cc1N1C(=O)C(=Cc2ccc(-c3cnc(C4CCCN4)nc3)cc2)N=C1C1CCCCC1,SREDZQOGVREDNL-UHFFFAOYSA-N
-rxn:4:214086:223279,CC(C)N1CCN(Cc2ccc(-c3cnc(C4CCCN4)nc3)cc2N2CCCCC2)CC1,LVISSTPNZXPJDX-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:4:214252:226844,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:4:214284:226844,COc1ccc(F)cc1S(=O)(=O)N1C2CCC1CC(n1cc(-c3ccnc(C(=O)C(F)(F)F)c3)cn1)C2,DCWIWWCUFDYGDX-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:4:214365:223531,Cc1cc2nnc(SCC(=O)c3ccc(-c4ccc(CN5CCN(C(=O)OC(C)(C)C)CC5)c(Cl)c4)cc3)n2c2ccccc12,AUJXNPVDTZVEMN-UHFFFAOYSA-N
-rxn:4:214661:225756,COC(=O)c1cc(-c2c(C(=O)N3CCCC(C(F)(F)F)C3)cnn2C)c(C(C)C)cn1,QICCMUMLCITEGL-UHFFFAOYSA-N
-rxn:4:214670:224198,CCN1CCN(Cc2ccc(-c3cnc(CC4CCCN(C(C)=O)C4)cn3)c(F)c2)CC1,DSNAYPWUHZPSOV-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:4:214821:223179,CONC(=O)c1cc(-c2cnc(N3CCCN(S(=O)(=O)C4CC4)CC3)c(F)c2)ccc1F,YGIZEQWAUSSMDQ-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:4:214829:223179,CONC(=O)c1cc(-c2cccnc2N2CCOC(C(=O)N3CCSCC3)C2)ccc1F,SLQLNZJALGOLIY-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:4:214835:223179,CONC(=O)c1cc(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCOCC3)C2)ccc1F,BLSOWROZFISGSX-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:4:214837:223179,CONC(=O)c1cc(-c2cnc(N3CCOC(C(=O)N4CCSCC4)C3)c(Cl)c2)ccc1F,MWLXSBDDEYGPKQ-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:4:214838:223179,CONC(=O)c1cc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)c(F)c2)ccc1F,HDFLTPVUHIBMNE-UHFFFAOYSA-N
-rxn:4:214865:223179,CONC(=O)c1cc(-c2cccnc2N2CCCC(C(=O)N3CCOCC3)C2)ccc1F,XINWQEYMSVPBKL-UHFFFAOYSA-N
-rxn:4:214865:226844,O=C(C1CCCN(c2ncccc2-c2ccnc(C(=O)C(F)(F)F)c2)C1)N1CCOCC1,QHKLTTWZBFOGBG-UHFFFAOYSA-N
-rxn:4:214867:226844,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:4:214871:226844,O=C(C1CCCN(c2ncc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2Cl)C1)N1CCOCC1,ZXDFMYNKNMQOOB-UHFFFAOYSA-N
-rxn:4:214879:223279,CCN1CCN(C2CC(=O)N(c3ccc(-c4cnc(C5CCCN5)nc4)cc3)C2=O)CC1,QJBDXEXNOFLRGA-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:4:214883:226844,O=C(C1CCN(c2ccncc2-c2ccnc(C(=O)C(F)(F)F)c2)CC1)N1CCC(F)(F)CC1,NSDCNZXROSTRHM-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:4:214886:225734,CCCCOc1cc(-c2cnc(N3CCC(C(=O)N4CCC(F)(F)CC4)CC3)c(F)c2)cc(Cl)c1F,KURMECAYVHSUAE-UHFFFAOYSA-N
-rxn:4:215201:223179,CONC(=O)c1cc(-c2cnc3n2CCC32CCN(C(=O)OC(C)(C)C)CC2)ccc1F,KDFDFGFJQCSOFJ-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:4:215240:223179,CONC(=O)c1cc(-c2ccc(C3=NN(c4ccccc4)C4C(=O)N(c5ccc6c(c5)OCCO6)C(=O)C34)cc2)ccc1F,WXXUJJRIUJHRLL-UHFFFAOYSA-N
-rxn:4:215296:223279,CCCN1CCC2(CC1)Oc1ccc(-c3cnc(C4CCCN4)nc3)cc1C1CC(c3ccccc3)=NN12,VJBUFZIJXCPZAD-UHFFFAOYSA-N
-rxn:4:215301:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc2c(c1)C1CC(c3ccccc3)=NN1C1(CCN(Cc3ccccc3)CC1)O2,NVQAHMWXEUBDDU-UHFFFAOYSA-N
-rxn:4:215303:223279,CCCN1CCC2(CC1)Oc1ccc(-c3cnc(C4CCCN4)nc3)cc1C1CC(c3ccc4ccccc4c3)=NN12,MAFXLVCHTFJGQM-UHFFFAOYSA-N
-rxn:4:217892:223530,Cc1nc(Cl)c2c(C)c(C)n(-c3c(C)cc(-c4cc(F)ccc4CN4CCN(C(=O)OC(C)(C)C)CC4)cc3C)c2n1,IQHWORCUZVBDTM-UHFFFAOYSA-N
-rxn:4:218600:223279,CC(C)(C)OC(=O)N1CCN(CCn2cc(-c3cnc(C4CCCN4)nc3)cn2)CC1,GSSXVDPKLZXXRO-UHFFFAOYSA-N
-rxn:4:218615:225171,CN(CC1CCN(C(=O)OC(C)(C)C)C1)c1cnc(-c2cc(F)cc(CN3CCOCC3)c2)cn1,IFSSDHFHSDOZPE-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:4:218652:226844,CN(CC1CCN(C(=O)OC(C)(C)C)CC1)c1cnc(-c2ccnc(C(=O)C(F)(F)F)c2)cn1,KWKOQRDNUMHSIT-UHFFFAOYSA-N
-rxn:4:218655:226844,COc1cc(=O)n(C)cc1C(=O)N1CCC(COc2ncc(-c3ccnc(C(=O)C(F)(F)F)c3)cn2)CC1,UFXXDPZSTPCUGD-UHFFFAOYSA-N
-rxn:4:218676:223279,Cc1nn(CCC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c(C)c1-c1cnc(C2CCCN2)nc1,HQWHIEZJEMKNPF-UHFFFAOYSA-N
-rxn:4:218682:223279,CC(=O)N1CCC(C(=O)N2CCCC(COc3ncc(-c4cnc(C5CCCN5)nc4)cn3)C2)CC1,LEWNAYNZUMPXCW-UHFFFAOYSA-N
-rxn:4:218686:226844,CN1CCN(CC#CCOC2CCN(c3ccncc3-c3ccnc(C(=O)C(F)(F)F)c3)CC2)CC1,PNIPAVZFQCIVKF-UHFFFAOYSA-N
-rxn:4:218687:226844,CC(C)(C)c1ccc(OCC2CCN(C(=O)c3cncc(-c4ccnc(C(=O)C(F)(F)F)c4)c3)CC2)nn1,KSKAWPDIIOFQOG-UHFFFAOYSA-N
-rxn:4:218696:223279,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:4:218699:223279,CC(C)(C)OC(=O)N1CCCN(c2nc(-c3cccc(-c4cnc(C5CCCN5)nc4)c3)ccc2C#N)CC1,QOFGJKGPCYGQHH-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:4:218710:223279,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cnc(C5CCCN5)nc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,SKPADVDXCJLHQF-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:4:218712:223279,Cc1ccc(S(=O)(=O)N2CCN(C(=O)CC(C)n3nc(C)c(-c4cnc(C5CCCN5)nc4)c3C)CC2)c(C)c1,WYVKACPNKCSOLT-UHFFFAOYSA-N
-rxn:4:218713:223179,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:4:218714:223279,Cc1cc(C)c(S(=O)(=O)N2CCN(C(=O)CCn3nc(C)c(-c4cnc(C5CCCN5)nc4)c3C)CC2)c(C)c1,YIYQKJVKOBUUGI-UHFFFAOYSA-N
-rxn:4:218768:223179,CONC(=O)c1cc(-c2cc(CCC(=O)N3Cc4cnc(N5CCOCC5)nc4C3)ccc2OC)ccc1F,IPASLUSLFHGRRV-UHFFFAOYSA-N
-rxn:4:218768:223279,COc1ccc(CCC(=O)N2Cc3cnc(N4CCOCC4)nc3C2)cc1-c1cnc(C2CCCN2)nc1,NEPXLKBNBOTKFL-UHFFFAOYSA-N
-rxn:4:218772:223179,CONC(=O)c1cc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCOCC4)CC3)c2)ccc1F,BHTPWZYIHXULJM-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:4:218777:223179,CONC(=O)c1cc(-c2c(C)nn(C(C)CC(=O)N3CCN(S(=O)(=O)c4ccc5ccccc5c4)CC3)c2C)ccc1F,DYTHQZMIRQVYJF-UHFFFAOYSA-N
-rxn:4:218778:223179,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:4:218787:223179,CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C2CCCCC2)c1=NC(=O)c1cccc(-c2ccc(F)c(C(=O)NOC)c2)c1,KNGIQYVERTZSEK-UHFFFAOYSA-N
-rxn:4:218788:223179,CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C2CCCCC2)c1=NC(=O)c1ccccc1-c1ccc(F)c(C(=O)NOC)c1,XEZLOJVSWMINRA-UHFFFAOYSA-N
-rxn:4:218796:222912,CC(C)CNS(=O)(=O)c1ccc(-c2c(N(C)C(=O)OC(C)(C)C)nn(C)c2C#N)cc1,LZSGFAJCWKSPOB-UHFFFAOYSA-N
-rxn:4:218846:223179,CONC(=O)c1cc(-c2cnc(OC3CCN(C(=O)CN4C(=O)CCC4=O)C3)nc2)ccc1F,LMZNMFABEQBZCP-UHFFFAOYSA-N
-rxn:4:218846:226844,O=C(CN1C(=O)CCC1=O)N1CCC(Oc2ncc(-c3ccnc(C(=O)C(F)(F)F)c3)cn2)C1,SLOSZHMLBKPIFU-UHFFFAOYSA-N
-rxn:4:218867:223179,CONC(=O)c1cc(-c2cccc(-c3noc(COC(=O)C4=CN(C)S(=O)(=O)N=C4C)n3)c2)ccc1F,ATQOCJXCWYESTE-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:4:218945:226844,CC(C)(C)OC(=O)N1CCN(c2c(-c3ccnc(C(=O)C(F)(F)F)c3)cncc2[N+](=O)[O-])CC1,VUMOVNXGLMIPRE-UHFFFAOYSA-N
-rxn:4:218963:226844,Cn1ncc(-c2ccnc(C(=O)C(F)(F)F)c2)c1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1,WISWGNKBIMDCFY-UHFFFAOYSA-N
-rxn:4:218964:226844,CC(=O)N1CCC(C(=O)N2CC(Cn3cc(-c4ccnc(C(=O)C(F)(F)F)c4)cn3)C2)CC1,DKAJHMCPHJHPMG-UHFFFAOYSA-N
-rxn:4:218965:223179,CONC(=O)c1cc(-c2c(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cnn2C)ccc1F,CJUJZKPGVHUMHP-UHFFFAOYSA-N
-rxn:4:218998:223279,O=C(N1CCOCC1)N1CCCC(COc2ncc(-c3cnc(C4CCCN4)nc3)cn2)C1,NHYNNPUNYFNSBY-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:4:219016:223536,CN(c1ncccc1C(F)(F)F)C1CCCN(C(=O)c2cncc(-c3cc(F)c(F)c(N4CCN(C(=O)OC(C)(C)C)CC4)c3)c2)C1,CZEFLVSTLWDCCZ-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:4:219027:223279,CC1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1c(-c2cnc(C3CCCN3)nc2)cnn1C,HZNLZTWCFJXWNX-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:4:219042:223279,CC1CN(C(=O)OC(C)(C)C)CCN1Cc1nn(C)cc1-c1cnc(C2CCCN2)nc1,WVTKQHAUJIPKHT-UHFFFAOYSA-N
-rxn:4:219051:223279,CN(c1cnc(-c2cnc(C3CCCN3)nc2)cn1)C1CCCN(C(=O)OC(C)(C)C)CC1,QEWVJQZCRWUIMF-UHFFFAOYSA-N
-rxn:4:219073:223179,CONC(=O)c1cc(-c2ccc(C(=O)N3CCN(c4ccc([N+](=O)[O-])c(N5CCCC5)c4)CC3)cc2)ccc1F,RLKRILIUEFHSQY-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:4:219135:226844,COc1ccc(N2C(=O)C3N=NN(Cc4ccc(OC)c(-c5ccnc(C(=O)C(F)(F)F)c5)c4)C3C2=O)cc1,IXNUHVRKEGPJMB-UHFFFAOYSA-N
-rxn:4:219142:226844,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:4:219144:226844,O=C1c2ccccc2C(=O)N1CCN1CCC(Oc2ncc(-c3ccnc(C(=O)C(F)(F)F)c3)cn2)CC1,MFFDOPVVMWUYIX-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:4:219207:226844,O=C1C2C3C=CC(C3)C2C(=O)N1CCN1CCN(c2nc(-c3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3)cs2)CC1,ILGVRYSFJDZBAJ-UHFFFAOYSA-N
-rxn:4:219271:226844,O=C(c1cc(-c2cnc(N3CCN(CC(F)(F)F)CC3)c([N+](=O)[O-])c2)ccn1)C(F)(F)F,WHDKVXVRIXFBQR-UHFFFAOYSA-N
-rxn:4:219295:223728,CCCCCC1CCC(c2ccc(-c3cnc(OC4CCN(C(=O)c5cccnc5)C4)nc3)c(F)c2)CC1,CHFCBBMKMJMISI-UHFFFAOYSA-N
-rxn:4:219318:223787,CN1CCN(CCCOc2ccc(-c3cncc(C(=O)N4CC(S(=O)(=O)c5nccn5C)C4)c3)cc2F)CC1,QSMCFWSEOYAPBV-UHFFFAOYSA-N
-rxn:4:219334:222889,CC(C)(C)OC(=O)N1CCN(c2nnc(-c3cc(F)cc(CN4CCNCC4)c3)s2)CC1,PDZKDXLRTBHFEC-UHFFFAOYSA-N
-rxn:4:219363:223885,Cn1cc(S(=O)(=O)N2CCC(Oc3ccncc3-c3ccc4c(c3)CN(C(=O)OC(C)(C)C)CC4)C2)cn1,QAVGYBYFHUATOJ-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:4:219414:226713,COCCOc1cc(-c2cnc(N3CCOC(C(=O)N4CCCC4)C3)c(C#N)c2)c(F)cn1,QIWPHTFVOGCGKE-UHFFFAOYSA-N
-rxn:4:219436:223179,CONC(=O)c1cc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)c(C#N)c2)ccc1F,WPUOTMLCVIELFE-UHFFFAOYSA-N
-rxn:4:219453:226844,CC(C)N1CCC(N2CC(Cn3cc(-c4ccnc(C(=O)C(F)(F)F)c4)cn3)C2)C1=O,HURIUWPRONHUHG-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:4:219462:226844,O=C(c1cc(-c2cnc(OC3CCCN(S(=O)(=O)N4CCCC4)C3)nc2)ccn1)C(F)(F)F,HNLWMPLNBODQFU-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:4:219487:226844,CC(C)(C)OC(=O)N1CCCN(c2cnc(-c3ccnc(C(=O)C(F)(F)F)c3)cn2)CC1,JEVXZTCYUBNFTG-UHFFFAOYSA-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:4:219497:226844,N#Cc1cc(-c2ccnc(C(=O)C(F)(F)F)c2)cnc1N1CCOC(C(=O)N2CCCCC2)C1,SFCVPHHGQCICSJ-UHFFFAOYSA-N
-rxn:4:219500:227520,CC(C)Oc1cc(F)c(-c2cnc(N3CCCC(C(=O)N4CCSCC4)C3)c(C#N)c2)cn1,BKVWOFVGKKMGQH-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:4:219516:226844,CN1CC(CN2CCC(Oc3ncc(-c4ccnc(C(=O)C(F)(F)F)c4)cn3)CC2)CC1=O,YLDUXWUMHVRHIZ-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:4:219530:226844,O=C1C(N2CCC(Oc3ncc(-c4ccnc(C(=O)C(F)(F)F)c4)cn3)CC2)CCN1C1CC1,JXIGEFHCJWDZDT-UHFFFAOYSA-N
-rxn:4:219531:223179,CONC(=O)c1cc(-c2cnc(SC)nc2N2CCOC(C(=O)N3CCCCC3)C2)ccc1F,FNKUFXOWBHQLEN-UHFFFAOYSA-N
-rxn:4:219533:224379,CSc1ncc(-c2ccccc2S(=O)(=O)N2CCN(C)CC2)c(N2CCCC(C(=O)N3CCOCC3)C2)n1,DSZVWIKGLIMPMX-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:4:219559:223279,Cc1nn(C)c(C)c1S(=O)(=O)N1CCCN(C(=O)c2ccc(-c3cnc(C4CCCN4)nc3)o2)CC1,GPNDNGYGAYNWNV-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:4:219627:225927,CN(C)c1ccc(C(F)(F)F)cc1-c1nnc(N2CC3CCC(C2)N3C(=O)OC(C)(C)C)s1,ZKNNHHABRFVHAZ-UHFFFAOYSA-N
-rxn:4:219627:227713,CC(C)(C)OC(=O)N1C2CCC1CN(c1nnc(-c3cc(F)ccc3OC(F)F)s1)C2,PXFNELPKGLYMPL-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:4:219691:226844,CC(C)(C)OC(=O)N1CCCC(c2cc(Cl)n3ncc(-c4ccnc(C(=O)C(F)(F)F)c4)c3n2)C1,UROBYJULOOEPFG-UHFFFAOYSA-N
-rxn:4:219691:226981,CCCCCCc1ccsc1-c1cnn2c(Cl)cc(C3CCCN(C(=O)OC(C)(C)C)C3)nc12,LAHBEVPWANEJES-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:4:219742:223045,CC(C)NC(=O)c1ccc(F)c(-c2cncc(C(=O)N3CCC(Cn4nc5c(cc4=O)CCC5)CC3)c2)c1,FDCCFIPKGOBEED-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:4:219762:224123,COc1cc(OCc2ccccc2)cc(-c2ccc(C3=C(C(C)=O)Sc4nnc(C5CCCCC5)n4N3C(C)=O)cc2)c1,UDWDIXOCRPCUPP-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:4:219769:223179,CONC(=O)c1cc(-c2ccc(C3Cn4nc(C(=O)N5CCN(C(C)C)CC5)cc4CO3)cc2)ccc1F,NTJICQSARWRYCQ-UHFFFAOYSA-N
-rxn:4:219783:223843,CCN(CC)S(=O)(=O)c1ccc(-c2ccc3ncc4c(c(-c5ccc(C(C)(C)C#N)cc5)nn4C(C)=O)c3c2)c(C(F)(F)F)c1,SYLNSQZFNWRESM-UHFFFAOYSA-N
-rxn:4:219784:223570,CCC(=O)N1c2ccccc2-c2nnc(SC)nc2OC1c1ccc(-c2c(F)ncc3c2ccn3[Si](C(C)C)(C(C)C)C(C)C)cc1,CKBDKSDNXZXXTM-UHFFFAOYSA-N
-rxn:4:219959:226010,COc1ccc(OC(F)(F)F)cc1-c1cnc(N2CCOC(C(=O)N3CCOCC3)C2)nc1,UPPXXOREGAXJKU-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:4:220038:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2nnc3n2CCN(C(=O)OC(C)(C)C)C3)cc1,XRGCRIIVBCKVRI-UHFFFAOYSA-N
-rxn:4:220091:223597,O=C(c1ccno1)N1CCN(c2nc3ccc(-c4ccc(OCCN5CCC6(CC5)OCCO6)c(Cl)c4)cc3s2)CC1,QMEBPTCXHISCOD-UHFFFAOYSA-N
-rxn:4:220129:224569,O=C1C2CN(c3ncc(-c4cc(F)cc(OCC5CCCCC5)c4)cn3)CC2C(=O)N1Cc1ccccc1,PMMXZTNEYCOBHK-UHFFFAOYSA-N
-rxn:4:220131:223179,CONC(=O)c1cc(-c2cnc(N3CC(N4CC5CCCC5C4)C3)c(C#N)c2)ccc1F,UFEKIFFVLJOPOY-UHFFFAOYSA-N
-rxn:4:220141:223279,Cn1nc2cc(-c3cnc(C4CCCN4)nc3)ccc2c1C(=O)N1CCC(N2C(=O)CSC2=O)C1,YCUOUQCEHAPMLH-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:4:220204:226844,O=C(C1CN(c2ncnc3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc23)CCO1)N1CCOCC1,NXPOOPYGABOEPI-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:4:221112:226844,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:4:221116:226844,CCOc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N3CCCCC3)n2)CC1,FCKQNRALTUUYKK-UHFFFAOYSA-N
-rxn:4:221127:226844,CCOC(=O)C1CCN(c2nc3c(S(=O)(=O)c4ccc(-c5ccnc(C(=O)C(F)(F)F)c5)cc4)nnn3c3ccsc23)CC1,ZZUPTDSUBGYNCO-UHFFFAOYSA-N
-rxn:4:221128:226844,CCOC(=O)C1CCCN(c2nc3c(S(=O)(=O)c4ccc(-c5ccnc(C(=O)C(F)(F)F)c5)cc4)nnn3c3ccccc23)C1,FAWVTHIOKBFZGK-UHFFFAOYSA-N
-rxn:4:221172:223959,CCN1CCN(C(=O)c2cc(-c3cnc(OCC4CCN(C(=O)c5ccc(=O)n(C)n5)CC4)nc3)ccc2Cl)CC1,LKWHRNFNCPIEIK-UHFFFAOYSA-N
-rxn:4:221175:223497,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4ccc(C(C)N5CCC(O[Si](C)(C)C(C)(C)C)CC5)cc4)cn3)C2)C(=O)C1=O,CTVDPFOBPPQMMD-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:4:221203:226844,O=C(c1cc(-c2ccc(CCN3CCN(c4ccc(N5CCOCC5)nn4)CC3)cc2)ccn1)C(F)(F)F,AOXYWUWNBSRTSI-UHFFFAOYSA-N
-rxn:4:221206:223179,CONC(=O)c1cc(-c2ccc(CCN3CCN(c4cc(N5CCOCC5)ncn4)CC3)cc2)ccc1F,ZPHUZQGOBZYPEK-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:4:221207:223179,CONC(=O)c1cc(-c2ccc(CCN3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)ccc1F,VOIWXQXHZIIZFY-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:4:221209:223179,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:4:221250:226844,O=C(CN1CCCCC1)N1N=C(c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2)CC1c1nc2ccccc2[nH]1,PDTGBEBLTXJDPX-UHFFFAOYSA-N
-rxn:4:221252:226844,CCC1CCCCN1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1,NCGXHOSBDOLXTO-UHFFFAOYSA-N
-rxn:4:221375:223898,CC(C)N(C(=O)OC(C)(C)C)c1ccc(-c2cnc(OCC3CCCN(c4cc(=O)n(C)cn4)C3)nc2)cc1,ZNVPISMUMRQWBK-UHFFFAOYSA-N
-rxn:4:221398:223279,CN1CCN(C(=O)N2CCC(Oc3ncc(-c4cnc(C5CCCN5)nc4)cn3)CC2)CC1,UOFQPUADKXGMCP-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:4:221420:223179,CONC(=O)c1cc(-c2ccccc2C(=O)N2CCN(c3ccc(N4CCOCC4)nn3)CC2)ccc1F,AJUZQIZBHHAEOE-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:4:221421:223179,CONC(=O)c1cc(-c2cccc(C(=O)N3CCN(c4ccc(N5CCOCC5)nn4)CC3)c2)ccc1F,DKOSLLBAUAKFNB-UHFFFAOYSA-N
-rxn:4:221422:223279,O=C(c1cc(-c2cnc(C3CCCN3)nc2)ccc1Cl)N1CCN(c2ccc(N3CCOCC3)nn2)CC1,JJZFMUGXMOIZEP-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:4:221433:223179,CONC(=O)c1cc(-c2ccc(C(=O)N3CCN(c4nc(C)cc(N5CCCC5)n4)CC3)cc2)ccc1F,CKQPTNLBCZHLKG-UHFFFAOYSA-N
-rxn:4:221435:223179,CONC(=O)c1cc(-c2cccc(C(=O)N3CCN(c4ccc(N5CCCCC5)nn4)CC3)c2)ccc1F,JRQHXBXYEVNIFN-UHFFFAOYSA-N
-rxn:4:221444:223179,CONC(=O)c1cc(-c2ccccc2CN2CCN(c3nc(C)cc(N4CCOCC4)n3)CC2)ccc1F,PQWNZMWDKBWESS-UHFFFAOYSA-N
-rxn:4:221445:223179,CONC(=O)c1cc(-c2cccc(CN3CCN(c4cc(C)nc(N5CCOCC5)n4)CC3)c2)ccc1F,UJPJJDAOYMTREZ-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:4:221452:223179,CONC(=O)c1cc(-c2cccc(C(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)c2)ccc1F,UGUQIQMYLLRDBX-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:4:221456:223255,CONC(=O)c1cccc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)c1,VJOJGLYNYNWCOR-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:4:221792:223279,CC1CN(C2CCCCC2)c2nc3c(c(=O)n(Cc4ccc(-c5cnc(C6CCCN6)nc5)cc4)c(=O)n3C)n2C1,CDRVUDAVRGRFQI-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:4:221920:226844,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:4:221926:226844,CCOc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5cccc(-c6ccnc(C(=O)C(F)(F)F)c6)c5)no4)C3C2=O)cc1,BBCLYMNXSIKMGR-UHFFFAOYSA-N
-rxn:4:221965:223239,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cncc(C6CCCN6)c5)cc4)CC3)nn2)CC1,IUCGQVCCQQOBTN-UHFFFAOYSA-N
-rxn:4:221965:224389,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(-n6ccc(C)n6)cc5C(F)(F)F)cc4)CC3)nn2)CC1,MHAKBIUSVPIHDG-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:4:221995:226844,Cc1c(C)n2c3c(=O)n(Cc4ccc(-c5ccnc(C(=O)C(F)(F)F)c5)cc4)c(=O)n(C)c3nc2n1CCN1CCOCC1,BBPDUCWWQQKPRE-UHFFFAOYSA-N
-rxn:4:222039:227717,O=C(c1cc(-c2ccc(F)cc2OC(F)F)ccc1-n1cnnn1)N1CCN(C2CCS(=O)(=O)C2)CC1,VURGSGARPXVVLV-UHFFFAOYSA-N
-rxn:4:222382:223534,CC(C)(C)OC(=O)N1CCC(Oc2cc(-c3cnc(N4CCCN(c5ccc6nncn6n5)CC4)nc3)c(F)cn2)CC1,ROWCGBIYDUFFBH-UHFFFAOYSA-N
-rxn:4:222520:187286,Cc1ccc(-c2ccc(C(F)(F)F)c(NC(=O)OC(C)(C)C)c2)c(C(=O)N(C(C)C)C(C)C)c1,FZBRCASRHYVCTG-UHFFFAOYSA-N
-rxn:4:222581:185357,CC(C)NS(=O)(=O)c1ccc(-c2ccc(C(=O)C3CCN(C(=O)OC(C)(C)C)CC3)c(F)c2)c2ccccc12,CQEGWZBEFJQQCT-UHFFFAOYSA-N
-rxn:4:222602:187226,CC(C)Cc1cc(-c2ccc(N(C(=O)C(C)C)C3C=CS(=O)(=O)C3)cc2)c(S(=O)(=O)NC(C)(C)C)s1,WZDYLLRDUFTPDZ-UHFFFAOYSA-N
-rxn:4:222613:187420,CCCNS(=O)(=O)c1ccc(-c2ccc(C3CN(C(=O)OC(C)(C)C)C3)cc2C)c(C(F)(F)F)c1,LMJQTMUUONCQQV-UHFFFAOYSA-N
-rxn:4:222781:199500,COC(=O)C(C(=O)OC(C)(C)C)c1ncc(-c2cnc(C)cc2NC(=O)OC(C)(C)C)cn1,LYQSTINQLVZENK-UHFFFAOYSA-N
-rxn:4:222801:174516,Cc1ccc(-c2ccccc2O[Si](C(C)C)(C(C)C)C(C)C)cc1S(=O)(=O)NC(C)(C)C,SAPXMWNEUHDYLL-UHFFFAOYSA-N
-rxn:4:222820:174428,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc(SC(C)(C)C(=O)OC(C)(C)C)cc2)cc1F,XAOCBEQIAQTNIK-UHFFFAOYSA-N
-rxn:4:222820:187821,CC(C)(C)NS(=O)(=O)c1ccc(-c2cccc3c2CN(CC(=O)OC(C)(C)C)C3=O)cc1F,OEFADPGMHFXBRL-UHFFFAOYSA-N
-rxn:4:223082:183928,CNS(=O)(=O)c1c(C)cc(-c2ccc(C(C)N(C(=O)OC(C)(C)C)C3CC3)cc2)cc1C,XVEMTIZLGPWXFE-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:4:223520:177113,COC(=O)C(C)c1ccccc1-c1ccc(C(C)N2CCN(C(=O)OC(C)(C)C)CC2)cc1,FYHPIMGLDQSYEZ-UHFFFAOYSA-N
-rxn:4:223520:215359,COC(=O)c1nc(-c2ccc(C(C)N3CCN(C(=O)OC(C)(C)C)CC3)cc2)nn1C,GXNUIEQGUGKLBU-UHFFFAOYSA-N
-rxn:4:223570:203835,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc(C4=NN(S(C)(=O)=O)C(c5ccco5)C4)cc3)c(F)ncc21,AVKFTNDKHACIMI-UHFFFAOYSA-N
-rxn:4:223570:207824,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3cccc(N4C(=O)N(c5ccccc5)C5CS(=O)(=O)CC54)c3)c(F)ncc21,XBSXUENGUCILAS-UHFFFAOYSA-N
-rxn:4:223580:175721,COC(=O)c1ccc2c(c1)cc(-c1cc(OC)cc(C(=O)OC(C)(C)C)c1)n2C(=O)OC(C)(C)C,UQZCATXNKLSPGN-UHFFFAOYSA-N
-rxn:4:223580:176713,COC(=O)c1ccc2c(c1)cc(-c1c(OC)ccc(F)c1C(=O)C(F)(F)F)n2C(=O)OC(C)(C)C,RPPGXQRFDIPWKW-UHFFFAOYSA-N
-rxn:4:223582:174727,COC(=O)c1ccc2cc(-c3ccccc3C(=O)CC(=O)C(F)(F)F)n(C(=O)OC(C)(C)C)c2c1,FATDJOQXZXBWAT-UHFFFAOYSA-N
-rxn:4:223641:184445,CCc1cc2c(cc1F)cc(-c1cc(C#N)cc(C(F)(F)F)c1CC(=O)OC)n2C(=O)OC(C)(C)C,LBJMLTJBVAHIEE-UHFFFAOYSA-N
-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:5:177445:225515:223064,CC(C)=CCOc1ccc(-c2cccc3c2OCC(C)(C)CO3)cc1-c1ccc(C2CCNCC2)nc1F,IWIUDTSYJXYWQP-UHFFFAOYSA-N
-rxn:5:177445:225589:223064,CC(C)=CCOc1ccc(-c2ccc(CN3CCSCC3)cc2)cc1-c1ccc(C2CCNCC2)nc1F,JVONNYQQTIYBJC-UHFFFAOYSA-N
-rxn:5:177445:226662:225666,CC(C)=CCOc1ccc(-c2ccc(N3CCN(C)CC3)s2)cc1-c1cc(F)cc(N2CCCCC2)c1,ZAOBZCNDDYIWDX-UHFFFAOYSA-N
-rxn:5:177445:226662:225978,CC(C)=CCOc1ccc(-c2ccc(N3CCN(C)CC3)s2)cc1-c1ccc(N2CCOCC2)nc1F,RNAUHAHNEWCBJU-UHFFFAOYSA-N
-rxn:5:178225:227386:223190,CNS(=O)(=O)c1ccc(F)cc1-c1c(OCC2CCCCC2)cccc1-c1cnn(C2CCCCC2)c1,QEXBSQNBJHXWEB-UHFFFAOYSA-N
-rxn:5:178295:225938:223245,COC(=O)C1(c2cc(-c3ccc4[nH]ncc4c3OC)ccc2-c2cc(C(F)(F)F)ncc2C2CC2)CCC(=O)CC1,YGNHFPGQBUSWJG-UHFFFAOYSA-N
-rxn:5:178295:226710:227942,CCc1ccc(-c2ccc(-c3ccc(F)c([Si](C)(C)C)c3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(OC)c1,UMFHMRDGBLOUKY-UHFFFAOYSA-N
-rxn:5:178295:226911:228435,CCc1cc(C)cc(CC)c1-c1ccc(-c2c(SC)ccc(F)c2F)cc1C1(C(=O)OC)CCC(=O)CC1,LVVUCVBEQBUOMI-UHFFFAOYSA-N
-rxn:5:178295:226926:228279,CCc1cc(F)c(-c2ccc(-c3ccc(C(C)(C)C)cc3C)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)c1,BOHOZZMFPWVVPQ-UHFFFAOYSA-N
-rxn:5:178295:227053:227311,CCC(C)c1cc(F)c(-c2ccc(-c3cccc(OC(C)(C)C)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)cn1,MEMDVYSCQARYLN-UHFFFAOYSA-N
-rxn:5:178295:227076:226765,CCC(C)c1ccc(F)c(-c2ccc(-c3ccc(C(=O)OC)c(F)c3F)cc2C2(C(=O)OC)CCC(=O)CC2)c1,MQEOQHVORVXZQL-UHFFFAOYSA-N
-rxn:5:178295:227077:228803,CCC(C)c1ccc(-c2ccc(-c3cc([Si](C)(C)C)cs3)cc2C2(C(=O)OC)CCC(=O)CC2)c(F)c1,QSKPNMDBPKFOAJ-UHFFFAOYSA-N
-rxn:5:178295:227759:227819,CCc1cc(CC)cc(-c2ccc(-c3c(F)cc(F)c(OC)c3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,IYKQOVCOAVAONG-UHFFFAOYSA-N
-rxn:5:178295:227818:227102,CCC(C)c1cccc(-c2ccc(-c3cc(C(C)(C)C)ccc3F)cc2C2(C(=O)OC)CCC(=O)CC2)c1,KRWRTFIAUBALQO-UHFFFAOYSA-N
-rxn:5:178295:227833:226761,CCc1cc(C)cc(C)c1-c1ccc(-c2ccc(SC)cc2C(F)(F)F)cc1C1(C(=O)OC)CCC(=O)CC1,OAHQXUDVSHHUSY-UHFFFAOYSA-N
-rxn:5:178295:228401:227045,COC(=O)C1(c2cc(-c3cccc(SC(C)(C)C)c3)ccc2-c2c(F)ccc(F)c2OC)CCC(=O)CC1,FJIKCLKHQPUIQG-UHFFFAOYSA-N
-rxn:5:178295:228431:226140,COC(=O)C1(c2cc(-c3cc(C(C)(C)C)ccc3OC)ccc2-c2cc(F)cc(F)c2SC)CCC(=O)CC1,NNAJRRWZOMYARC-UHFFFAOYSA-N
-rxn:5:178295:228435:227049,CCOc1c(C)cc(-c2ccc(-c3c(SC)ccc(F)c3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc1C,ZDFDWANIPJUIDL-UHFFFAOYSA-N
-rxn:5:178313:227091:225498,CC(C)(C)[Si](C)(C)Oc1ccc(-c2cncc(C3CCCC3)c2)c(-c2cc(C3CCCCC3)ccc2F)c1,FMGBTDWBSDQAAG-UHFFFAOYSA-N
-rxn:5:178466:225588:223061,CC(C)OC(=O)c1sc2cc(-c3ccccc3CN3CCSCC3)ccc2c1-c1cc(C2CCNCC2)ncc1F,HLYKELIPPQSYLU-UHFFFAOYSA-N
-rxn:5:178467:223061:222980,CCOC(=O)C1=Cc2cc(-c3ccc(CN4CCNCC4)cc3)cc(-c3cc(C4CCNCC4)ncc3F)c2OC1,IBGVLFCUFQBHPV-UHFFFAOYSA-N
-rxn:5:178467:223061:225597,CCOC(=O)C1=Cc2cc(-c3ccc(OC4CCCCC4)nc3)cc(-c3cc(C4CCNCC4)ncc3F)c2OC1,GIOLUCZBMMZSSP-UHFFFAOYSA-N
-rxn:5:178467:223061:228304,CCOC(=O)C1=Cc2cc(-c3cnc(OC(C)C)nc3)cc(-c3cc(C4CCNCC4)ncc3F)c2OC1,IDSSAEIIOMIZCU-UHFFFAOYSA-N
-rxn:5:178467:223136:226587,CCOC(=O)C1=Cc2cc(-c3cnc(OC4CCC4)cc3F)cc(-c3ccncc3C3CCCNC3)c2OC1,NHPSUSBMMRYGAH-UHFFFAOYSA-N
-rxn:5:178467:223137:226177,CCOC(=O)C1=Cc2cc(-c3ccnc(C4CCCCC4)c3)cc(-c3cncc(C4CCCNC4)c3)c2OC1,VEHKJSJCOALONN-UHFFFAOYSA-N
-rxn:5:178467:223137:226662,CCOC(=O)C1=Cc2cc(-c3ccc(N4CCN(C)CC4)s3)cc(-c3cncc(C4CCCNC4)c3)c2OC1,QJRYDWVTEKKDAG-UHFFFAOYSA-N
-rxn:5:178467:223140:226662,CCOC(=O)C1=Cc2cc(-c3ccc(N4CCN(C)CC4)s3)cc(-c3ccnc(C4CCCNC4)c3)c2OC1,ZXFGAFPMCWDDIH-UHFFFAOYSA-N
-rxn:5:178467:223252:223134,CCOC(=O)C1=Cc2cc(-c3cnccc3C3CCCNC3)cc(-c3cc(F)c4c(c3)NCCO4)c2OC1,UCDAUKPJWSFILY-UHFFFAOYSA-N
-rxn:5:178467:223294:226366,CCOC(=O)C1=Cc2cc(-c3ccnc(N4CCCCC4)c3)cc(-c3csc(N4CCNCC4)n3)c2OC1,QFWYPWVRYURTLT-UHFFFAOYSA-N
-rxn:5:178467:225655:223142,CCOC(=O)C1=Cc2cc(-c3ccc(C4CCCNC4)nc3)cc(-c3cncc(N4CCC(C)CC4)c3)c2OC1,ZVOULAGUAPIKJJ-UHFFFAOYSA-N
-rxn:5:178467:225655:225633,CCOC(=O)C1=Cc2cc(-c3ccc(N4CCCCCC4)nc3)cc(-c3cncc(N4CCC(C)CC4)c3)c2OC1,LUCNTAPISNWHFI-UHFFFAOYSA-N
-rxn:5:178467:226437:223142,CCOC(=O)C1=Cc2cc(-c3ccc(C4CCCNC4)nc3)cc(-c3cc(C4CCCC4)ncc3F)c2OC1,JVYXKRIUSALAKY-UHFFFAOYSA-N
-rxn:5:178467:226679:222981,CCOC(=O)C1=Cc2cc(-c3ccnc(NC4CCCCC4)c3)cc(-c3cnc(N4CCCC4)cc3F)c2OC1,JVVNLFDFGCPSBN-UHFFFAOYSA-N
-rxn:5:178467:227020:225633,CCOC(=O)C1=Cc2cc(-c3ccc(N4CCCCCC4)nc3)cc(-c3cncc(C#CC4CC4)c3)c2OC1,VVLYLSGYMGJOLP-UHFFFAOYSA-N
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-rxn:5:181904:225684:222960,Cc1cc(-c2c(-c3ccc(C4CCOCC4)nc3C)ccc(C3OCCO3)c2C)cc(C2CCNCC2)c1,PUKOHZDWTHPEAA-UHFFFAOYSA-N
-rxn:5:181904:225832:223140,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(C2OCCO2)c(C)c1-c1ccnc(C2CCCNC2)c1,CWUABMNAIHJQGW-UHFFFAOYSA-N
-rxn:5:181907:226186:225832,Cc1cc(-c2ccccc2C2CCOCC2)c(-c2c(C)nn(C3CCCCO3)c2C)c(C2OCCO2)c1,FKFSJXADAKLWPC-UHFFFAOYSA-N
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-rxn:5:182011:223134:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(C2CCOCC2)ccc1-c1cnccc1C1CCCNC1,GFNIMACVJMBUSN-UHFFFAOYSA-N
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-rxn:5:189001:223131:225849,COC(=O)C1(c2nc(-c3cnc(N4CCCCC4)cc3F)ccc2-c2ccc(N3CCNCC3)cc2)CC1,QFOQZHAVBVJLGN-UHFFFAOYSA-N
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-rxn:5:189207:228210:227282,CC(C)c1ncc(C#N)cc1-c1ccc(-c2ccc(N3CCCC3)s2)cc1C(=O)ON1C(=O)CCC1=O,CPHGRLIEFLMJED-UHFFFAOYSA-N
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-rxn:5:189209:223007:229081,CN(C)c1ccc(-c2cc(C(=O)ON3C(=O)CCC3=O)cc(-c3cc(F)cc(C4CCNCC4)c3)c2)s1,DWUQCWXACMSVEK-UHFFFAOYSA-N
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-rxn:5:189319:225439:223132,CC(c1cccc(-c2ccc(-c3cccc(N4CCNCC4)c3)nc2C(=O)OC(C)(C)C)c1)N1CCCC1,DNBHUQPWEJROSF-UHFFFAOYSA-N
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-rxn:5:189321:226794:225592,CC(C)(C)OC(=O)c1nc(-c2cnc(N3CCSCC3)nc2)ccc1-c1cc(F)ccc1CN1CCCC1,MVUGFMVOKBSPOZ-UHFFFAOYSA-N
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-rxn:5:189718:228476:227103,O=[N+]([O-])c1cc(-c2sccc2C2CCCCC2)c(-c2cccnc2C(F)(F)F)cc1OC1CCOCC1,OVMHEBHTSXGOGN-UHFFFAOYSA-N
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-rxn:5:190196:223061:228487,CN(Cc1ccc(-c2cc(C3CCNCC3)ncc2F)cc1-c1cccc(F)c1[N+](=O)[O-])C1CCOCC1,UMJLLCRYSUGOBM-UHFFFAOYSA-N
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-rxn:5:190859:226064:225886,CC(C)(C)OC(=O)N1CCc2c1ccc(-c1ccc(C3CCCCC3)cc1)c2-c1ccc2c(ccn2S(C)(=O)=O)c1,XEBMQTRZHCEBOV-UHFFFAOYSA-N
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-rxn:5:191026:227989:226927,CC#Cc1ccc(F)c(-c2ccc3c(c2)N(c2ccc(C)c(-c4c(C)c(C)c(C)c(C)c4C)c2)C=C(C(=O)OC)S3(=O)=O)c1,QVSJHYMSDXONHC-UHFFFAOYSA-N
-rxn:5:191026:228178:226341,COCc1ccc(F)c(-c2ccc3c(c2)N(c2ccc(C)c(-c4cc(C(C)C)c(F)cc4OC)c2)C=C(C(=O)OC)S3(=O)=O)c1,PDBILBQLDUEQIX-UHFFFAOYSA-N
-rxn:5:192561:223065:225982,O=C(c1cc(-c2cnc(N3CCOCC3)cc2F)ccc1-c1ccc(N2CCNCC2)cc1F)N1CCC1,DWHYGIBHQMELLN-UHFFFAOYSA-N
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-rxn:5:193231:227291:226662,CN(C)Cc1ccc(-c2ccc(C(=O)N3CCSCC3)c(-c3ccc(N4CCN(C)CC4)s3)c2)cc1F,MLLDLAFQYDUIKE-UHFFFAOYSA-N
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-rxn:5:193382:226427:228312,COc1cnc(C#N)cc1-c1cc(-c2cc(N3CCC(C)CC3)cs2)ccc1S(=O)(=O)N1CCOCC1,ZUBJRXQAFVKWBV-UHFFFAOYSA-N
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-rxn:5:193382:228229:223006,O=c1cc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3ccc(F)c(C4CCNCC4)c3)c2)ccn1C1CC1,NZMBTHZYRYROSE-UHFFFAOYSA-N
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-rxn:5:193382:228869:223063,COC(=O)c1cc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3cc(F)nc(C4CCNCC4)c3)c2)cs1,NAXQIBLTBUFUSI-UHFFFAOYSA-N
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-rxn:5:193466:226332:226679,C[C@@H]1CCCN1C(=O)c1ccc(-c2cnc(N3CCCC3)cc2F)cc1-c1ccccc1C(=O)N1CCC1,IXXBNFHEDYVRJU-OAQYLSRUSA-N
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-rxn:5:193506:229053:222991,COCc1ccc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3ccc(N4CCCC(O)C4)cc3)c2)s1,HJCWLSBHQAJNLO-UHFFFAOYSA-N
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-rxn:5:193754:225395:227956,Cc1cc(-c2c(C(=O)N3CCC(C)CC3)cccc2-c2cc(C3CC3)cc(C(C)(C)C)c2)cc(C(C)C)n1,UVKMZRCTEIRNCY-UHFFFAOYSA-N
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-rxn:5:197876:226611:228005,CCc1ccc(C(F)(F)F)cc1-c1cc2c(cc1-c1cc(C)c(SC)cc1C)C(=O)N(C(C)(C)C)S2(=O)=O,YJFZEKZOGPTSGL-UHFFFAOYSA-N
-rxn:5:197876:226740:227940,CCc1cc(SC)cc(-c2cc3c(cc2-c2cccc(C(F)(F)F)c2C#N)S(=O)(=O)N(C(C)(C)C)C3=O)c1,MHDAGZCGAGQAGB-UHFFFAOYSA-N
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-rxn:5:197876:227830:226028,CC1(c2ccc(-c3cc4c(cc3-c3ccc(C(F)(F)F)c(C#N)c3F)C(=O)N(C(C)(C)C)S4(=O)=O)cc2)CC1,RJNVKWJEKHTMJR-UHFFFAOYSA-N
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-rxn:5:197876:227989:226032,CC#Cc1ccc(F)c(-c2cc3c(cc2-c2cc(OC)cc(C(F)(F)F)c2F)C(=O)N(C(C)(C)C)S3(=O)=O)c1,QBCSUORFPYCRCU-UHFFFAOYSA-N
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-rxn:5:197876:228415:226835,CC(C)n1nc(C(F)(F)F)cc1-c1cc2c(cc1-c1cc(F)ccc1C(F)F)S(=O)(=O)N(C(C)(C)C)C2=O,CZGAOHMIMGGNAV-UHFFFAOYSA-N
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-rxn:5:197876:228713:226757,Cc1cc(-c2cc3c(cc2-c2ccn(C(C)(C)C)n2)S(=O)(=O)N(C(C)(C)C)C3=O)ccc1OC(F)(F)F,NKDZHVXQNBULLM-UHFFFAOYSA-N
-rxn:5:197876:228745:225824,CSc1cc(C)c(-c2cc3c(cc2-c2cc(C4CC4)cc(C(F)(F)F)c2)C(=O)N(C(C)(C)C)S3(=O)=O)cn1,WFYLHLNZFZPJAB-UHFFFAOYSA-N
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-rxn:5:197876:228829:225945,Cc1c(F)cc(-c2cc3c(cc2-c2ccc(C#CC(F)(F)F)c(F)c2)C(=O)N(C(C)(C)C)S3(=O)=O)cc1F,MYFLGJXEGLZMHA-UHFFFAOYSA-N
-rxn:5:197876:228970:223082,CNS(=O)(=O)c1c(C)cc(-c2cc3c(cc2-c2ccc(C(F)(F)F)s2)S(=O)(=O)N(C(C)(C)C)C3=O)cc1C,ROCRTNKZMMFZPV-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:5:227942:178295:227052,CCc1ccc(-c2ccc(-c3ccc(SC(C)(C)C)cc3)cc2C2(C(=O)OC)CCC(=O)CC2)c(OC)c1,OENFSQYZFMPPFJ-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:4:173336:223842,COCCOc1cc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC(C)CC2)cc(F)c1C(=O)OC,ZEVYMMRHNMGLKL-UHFFFAOYSA-N
-rxn:4:173433:224485,CCOC(=O)C(C(C)=O)c1ccc(OC)cc1-c1ccn([Si](C(C)C)(C(C)C)C(C)C)c1,KFTIOZRHFNEUTA-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:4:173517:223279,CC(C)(C)OC(=O)C1(Oc2cc(C(F)(F)F)ccc2-c2cnc(C3CCCN3)nc2)CC1,NDZRIJKYVAKWMU-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:4:173575:223179,CONC(=O)c1cc(-c2ccc(C(=O)CCCCC3OCC(C)(C)CO3)cc2)ccc1F,ZAJKMDRBDTVUAS-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
-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:4:173723:224710,CCCCOc1cc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)cc(C(F)(F)F)c1,NLJDLORKHCUNHT-UHFFFAOYSA-N
-rxn:4:173759:222538,CCOC(=O)COc1cc(F)c(-c2cc(C3CCCC3)nc(C3CCNCC3)c2)cc1F,IWCRQDHUTMUMDH-UHFFFAOYSA-N
-rxn:4:173761:223582,COC(=O)C(=O)CC(=O)c1cccc(-c2cc3ccc(C(=O)OC)cc3n2C(=O)OC(C)(C)C)c1,LDQXCJQSEQGRPG-UHFFFAOYSA-N
-rxn:4:173783:224100,COC(=O)c1cc(-c2ccccc2OCCN2CCC(C)CC2)ccc1OCC(F)(F)F,AKEGTCLCYUYJEW-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
-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:4:173802:224627,CN(C)C1CN(C(=O)c2ccc(-c3ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc3)cc2)C1,YJTMPNOROBHPEW-UHFFFAOYSA-N
-rxn:4:173802:224678,O=C(c1cc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)ccc1F)N1CCCCC1,SXLGLVKYNCNQOL-UHFFFAOYSA-N
-rxn:4:173802:224881,O=S(=O)(OC(c1ccc(-c2cccc(CN3CCCCCC3)c2)cc1)C(F)(F)F)C(F)(F)F,XFGCGGGXLYWKMT-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
-rxn:4:173802:225598,O=S(=O)(OC(c1ccc(-c2cccc(CN3CCSCC3)c2)cc1)C(F)(F)F)C(F)(F)F,HJQIISZWHYWRCX-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:4:173807:223179,CONC(=O)c1cc(-c2cccc(OC(C(F)(F)F)C(F)(F)F)c2C(F)(F)F)ccc1F,UYHZPJWBYPYNBF-UHFFFAOYSA-N
-rxn:4:173810:223179,CONC(=O)c1cc(-c2ccc(C(F)(F)F)c(OC(C(F)(F)F)C(F)(F)F)c2)ccc1F,VZJZIVKMBZQGDL-UHFFFAOYSA-N
-rxn:4:173905:222605,COC(=O)c1ccc(-c2cc(S(=O)(=O)NC3CCCC3)ccc2OC)cc1COC(C)=O,UGLWPOUVCWYSRQ-UHFFFAOYSA-N
-rxn:4:173906:223569,COC(=O)CCS(=O)(=O)c1ccc(-c2cnc3c(ccn3[Si](C(C)C)(C(C)C)C(C)C)c2F)cc1,SUEDRXGDZDWOKI-UHFFFAOYSA-N
-rxn:4:174004:223958,CCOC(=O)c1cc(OCC)c(F)cc1-c1ccc(C(=O)N2CCN(CC)CC2)c(F)c1,XCZQQUSNMJTOCZ-UHFFFAOYSA-N
-rxn:4:174131:223568,COC(=O)C(C)(C)COc1cccc(-c2cnc3c(ccn3[Si](C(C)C)(C(C)C)C(C)C)c2Cl)c1,BQIAZDIBMHEVKV-UHFFFAOYSA-N
-rxn:4:174243:223598,COC(=O)c1ccc(OCc2ccc(-c3ccc(OCCN4CCC5(CC4)OCCO5)c(F)c3)c(F)c2)cc1,NBVOJQDKQRLLNW-UHFFFAOYSA-N
-rxn:4:174256:223568,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(Cl)c(-c3cccc(S(=O)(=O)CC(=O)OC(C)(C)C)c3)cnc21,VISOJVTWODHZNZ-UHFFFAOYSA-N
-rxn:4:174368:223753,COC(=O)c1ccc(-c2ccc(C)c(OCCCN3CCN(C)CC3)c2)cc1CS(=O)(=O)c1ccccc1,NDRCFPQXBRPTII-UHFFFAOYSA-N
-rxn:4:174373:222542,COC(=O)c1cc(-c2ccc(C)c(OCCCN3CCNCC3)c2)ccc1S(=O)(=O)c1ccccc1C(F)(F)F,GJHXCDJPRSMCLA-UHFFFAOYSA-N
-rxn:4:174375:222638,COC(=O)C(C)(C)c1cc(OC)c(OC)cc1-c1cccc(C(C)NC(=O)OC(C)(C)C)c1,NXRVFDFLYLZYQC-UHFFFAOYSA-N
-rxn:4:174406:224743,COC(=O)C1(c2ccc(-c3c(F)cc(C(=O)OC(C)(C)C)cc3F)cc2)CC(OC)(OC)C1,WOXPMTURRLVUPP-UHFFFAOYSA-N
-rxn:4:174427:223567,CCS(=O)(=O)Cc1ccc(C(=O)c2ccc(F)cc2Cl)c(-c2cc3cc(OC(C)C)ccc3n2C(=O)OC(C)(C)C)c1,MBHBAVYHCVPASU-UHFFFAOYSA-N
-rxn:4:174500:223559,COc1ccc(F)c(-c2cc(C(=O)OC(C)(C)C)cc(-c3ccc4c(c3)C(C)=CC(C)(C)N4C(=O)OC(C)(C)C)c2)c1,MDDPLWHKUZLWLB-UHFFFAOYSA-N
-rxn:4:174516:224835,CC(C)[Si](Oc1ccccc1-c1cc(C(F)(F)F)nn1S(=O)(=O)N(C)C)(C(C)C)C(C)C,OZQQJJVVEMIYCS-UHFFFAOYSA-N
-rxn:4:174522:222867,CC(C)[Si](C#Cc1ccc(-c2ccc(NC(=O)OC(C)(C)C)cc2)cc1)(C(C)C)C(C)C,LMNCEUVVEBSQQD-UHFFFAOYSA-N
-rxn:4:174522:225278,COC(=O)c1ccc(C(=O)OC)c(-c2ccc(C#C[Si](C(C)C)(C(C)C)C(C)C)cc2)c1,VFTAMZLKMLOMPA-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:4:174528:222637,COc1ccc(C)c(-c2c(C(C)C)cc(C(C)C)cc2C(C)C)c1-c1ccc(C(C)NC(=O)OC(C)(C)C)cc1,DBCKNTAEQQPGOR-UHFFFAOYSA-N
-rxn:4:174528:225129,COc1ccc(C)c(-c2c(C(C)C)cc(C(C)C)cc2C(C)C)c1-c1ccc(C(=O)OC(C)(C)C)cc1F,ULGMMAYJXURSPU-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:4:174657:223179,CONC(=O)c1cc(-c2ccc(OC)c(C=C3Oc4cc(OC(=O)C5CCCCC5)ccc4C3=O)c2)ccc1F,CXVVDABHIXEJJY-UHFFFAOYSA-N
-rxn:4:174657:223279,COc1ccc(-c2cnc(C3CCCN3)nc2)cc1C=C1Oc2cc(OC(=O)C3CCCCC3)ccc2C1=O,WHFVFDUAZQYDSS-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:4:174658:224421,CC(C)c1ccc(C=C2Oc3cc(OS(=O)(=O)c4ccc(-c5c(C(C)C)cc(C(C)C)cc5C(C)C)cc4)ccc3C2=O)cc1,GEVNRUCXZWJEDE-UHFFFAOYSA-N
-rxn:4:174688:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2ccc(OC(F)(F)F)c(C(=O)C(F)(F)F)c2)cc1,FKMHKZGVMXLYJV-UHFFFAOYSA-N
-rxn:4:175167:223559,COC(=O)c1cc(OC)c(OC)c(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)c1,CKEWYOXUXGKHMH-UHFFFAOYSA-N
-rxn:4:175265:223569,CCS(=O)(=O)c1cc(-c2cnc3c(ccn3[Si](C(C)C)(C(C)C)C(C)C)c2F)ccc1C(=O)OC,ZBKIMBLFNATLRD-UHFFFAOYSA-N
-rxn:4:175270:222522,CCOC(=O)c1ccc(-c2ccc(OC)c(S(=O)(=O)N3CCC(O)CC3)c2)cc1S(C)(=O)=O,WAIWABZAUAQRKF-UHFFFAOYSA-N
-rxn:4:175433:223898,COC(=O)c1cc(C(=O)C(C)C)cc(-c2ccc(N(C(=O)OC(C)(C)C)C(C)C)cc2)c1,MCBYYWAUPHTDPJ-UHFFFAOYSA-N
-rxn:4:175664:224722,CN(C(=O)OC(C)(C)C)c1cc(-c2cc(C(F)(F)F)cc(F)c2C(=O)OC(C)(C)C)ccn1,DBYLICWZHFCCAD-UHFFFAOYSA-N
-rxn:4:175781:222447,COc1ccc2c(c1-c1cc(C(C)=O)cc(-c3cccc(OC(F)(F)F)c3)c1)N=C(NC(=O)OC(C)(C)C)C2,XBSYUSYLZNIEMU-UHFFFAOYSA-N
-rxn:4:175827:222542,COC(=O)c1cc(F)c(OC2CCCC2)cc1-c1ccc(C)c(OCCCN2CCNCC2)c1,YWQODYDLJODFQA-UHFFFAOYSA-N
-rxn:4:175869:223898,CCc1cc(-c2ccc(N(C(=O)OC(C)(C)C)C(C)C)cc2)ccc1C(=O)OC(C)(C)C,JOBYZXZXZCGPCV-UHFFFAOYSA-N
-rxn:4:175938:222725,CCNS(=O)(=O)c1ccc(-c2cc(C(=O)OC)c(OC)c(C(C)(C)C)c2)c(C(F)(F)F)c1,BOFNYLJGXLNKHI-UHFFFAOYSA-N
-rxn:4:176120:224017,CC(C)(C)OC(=O)c1cc(-c2cc(Cl)ccc2F)cc(-c2ccc(N3CCCS3(=O)=O)cc2C(F)(F)F)c1,CTUNUWVHGJTDER-UHFFFAOYSA-N
-rxn:4:176168:222904,CC(C)[Si](c1c(F)cc(-c2ccc(NC(=O)OC(C)(C)C)nc2)cc1F)(C(C)C)C(C)C,NUWQTIQJBBEZNH-UHFFFAOYSA-N
-rxn:4:176168:224322,CC1CCN(S(=O)(=O)c2ccc(-c3cc(F)c([Si](C(C)C)(C(C)C)C(C)C)c(F)c3)cc2)CC1,LWHJSKVJAHSRRC-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:4:176322:223279,CCC1(CC)CC(C)(C)c2c1cc1c(c2-c2cnc(C3CCCN3)nc2)C(C)(C)CC1(CC)CC,JPOIGNUHHNTIBO-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:4:176324:226844,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:4:176517:223775,COc1ccc2c(c1)c(-c1cc(C(F)(F)F)cc(F)c1C(=O)C(F)(F)F)cn2C(=O)OC(C)(C)C,LFUFOGNKOUXVMW-UHFFFAOYSA-N
-rxn:4:176823:223559,CC(=O)CC(=O)c1cccc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)c1,VFVOVOQKVDHXAM-UHFFFAOYSA-N
-rxn:4:177839:223590,COC(=O)C1(c2cccc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)nc3C)c2)CCC1,IUSYLMCBBABSGL-UHFFFAOYSA-N
-rxn:4:177977:223474,COC(=O)C1(C)OC1(C)c1ccc(-c2ccc(OCc3ccccc3)c(C34CC5CC(CC(C5)C3)C4)c2)cc1,AWRWNRAKACYVJR-UHFFFAOYSA-N
-rxn:4:178025:223894,COc1cc(C2OCCO2)cc(-c2cccc(OCCCN3CCN(C)CC3)c2)c1OC,FODQSVSURCSFKB-UHFFFAOYSA-N
-rxn:4:178111:223810,COC(=O)c1ccc(C(C)(C)C)cc1-c1cc(C)c(S(=O)(=O)N2CCC(C)CC2)c(C)c1,XJWGXHMRTJLBCF-UHFFFAOYSA-N
-rxn:4:178296:224485,COC(=O)C1(c2ccc(F)c(-c3ccn([Si](C(C)C)(C(C)C)C(C)C)c3)c2)CCC(=O)CC1,TUOXGQZPTGIFLP-UHFFFAOYSA-N
-rxn:4:178318:223557,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3cc(O[Si](C)(C)C(C)(C)C)ccc3F)c(F)ccc21,UDEQMQQXHBTWLH-UHFFFAOYSA-N
-rxn:4:178372:223891,CC(C)(C)C1CCC(=O)C(Cc2ccc(-c3c(F)ccc4c3ccn4[Si](C)(C)C(C)(C)C)cc2)C1,UNVKKXISSIWMSJ-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:4:178384:226922,Cc1cc(C2CC2)cc(C)c1-c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1,DESYNVRSPRJDQQ-UHFFFAOYSA-N
-rxn:4:178384:227628,Clc1nc(C2CCC2)ncc1-c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1,HDOPASXZINYROU-UHFFFAOYSA-N
-rxn:4:178384:228648,Cc1cc(C)c(F)c(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c1,LPPYGCIZUYCGJO-UHFFFAOYSA-N
-rxn:4:178384:228785,COc1cc(Cl)ccc1-c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1,XHIWBXKWTYAHFE-UHFFFAOYSA-N
-rxn:4:178384:229110,Cc1c(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)ccnc1F,RUUGDKCOSMCXTC-UHFFFAOYSA-N
-rxn:4:178594:223179,CONC(=O)c1cc(-c2cc(Cl)c(OCC34CC5CC(CC(C5)C3)C4)cc2F)ccc1F,MPJAUJWPRQWCOO-UHFFFAOYSA-N
-rxn:4:178597:226573,Cc1nc(OC(C)(C)C)ncc1-c1ccc(OC(=O)C2OC3OC(C)(C)OC3C3OC(C)(C)OC23)cc1,FFJQTHWSFNVEAX-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:4:178600:223506,CC(C)c1cc(-c2c3ccccc3cc3ccccc23)cc(C(C)C)c1-c1cccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1,NEMUVYGYRLFJOM-UHFFFAOYSA-N
-rxn:4:178732:223588,C#Cc1ccc(-c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)c(C)c2)cc1C(F)(F)F,ILOBIARURONQNN-UHFFFAOYSA-N
-rxn:4:178768:223651,Cc1nc(C2CCN(C(=O)OC(C)(C)C)C2)ccc1-c1ccc(Cl)c(C(=O)C(F)F)c1F,MVAOXYGATRIPIW-UHFFFAOYSA-N
-rxn:4:180106:222523,COc1cc(-c2ccc(S(=O)(=O)NC(C)(C)C)cc2C(F)(F)F)cc(C2(C)CC2(F)F)c1,ZXINQPZQEASQGP-UHFFFAOYSA-N
-rxn:4:180200:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3cc(C(F)F)cc(C(C)(C)C)c3)cc21,VKXTYZGVYRYFLO-UHFFFAOYSA-N
-rxn:4:180532:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3ccc(C(C)(C)C)cc3C(C)(C)C)cc21,OZOSKNFULBTKEL-UHFFFAOYSA-N
-rxn:4:180792:224969,CCOC1CCC2(CC1)Cc1ccc(-c3ccc(C(=O)OC(C)(C)C)c(C)c3)cc1C2=O,PTWCHGDUGOJATD-UHFFFAOYSA-N
-rxn:4:181319:223493,Cc1ccc(C(F)F)cc1-c1cc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)ccc1C,GYCVYLJXWATEGW-UHFFFAOYSA-N
-rxn:4:182347:224265,CC1(C)CC(=O)c2c(S(C)(=O)=O)sc(-c3cc(C4CCCCC4)cc(C(F)(F)F)c3)c2C1,BTWLIGATPKXPPY-UHFFFAOYSA-N
-rxn:4:182372:223597,CO[C@H]1CC[C@]2(CC1)Cc1ccc(-c3ccc(OCCN4CCC5(CC4)OCCO5)c(Cl)c3)cc1C2=O,KAPOXTNSJVWDES-YLIUREIVSA-N
-rxn:4:182374:222758,CC(=O)c1cc2c(cc1-c1ccc(NC(=O)OC(C)(C)C)c(C)c1)C(C)(C)CCC2(C)C,PQUDLXIHXRZSBF-UHFFFAOYSA-N
-rxn:4:182374:224489,CC(=O)c1cc2c(cc1-c1cc(F)ccc1CN(C(C)C)C(C)C)C(C)(C)CCC2(C)C,IWFWLZBAOQMYRQ-UHFFFAOYSA-N
-rxn:4:182376:224878,CO[C@H]1[C@H](C)C[C@@]2(Cc3ccc(-c4ccccc4COC4CCCCC4)cc3C2=O)C[C@@H]1C,YZHBQOQGCHZSRR-CAKCGFARSA-N
-rxn:4:182376:225770,CO[C@H]1[C@H](C)C[C@@]2(Cc3ccc(-c4c(F)cc(OCC5CC5)cc4F)cc3C2=O)C[C@@H]1C,XLEOPKBQQGPTQP-KZQWQXQVSA-N
-rxn:4:182764:223589,Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1ccc2c(c1)C(F)(F)C(F)(F)S2,BQYYKYKOJCPJFT-UHFFFAOYSA-N
-rxn:4:183251:223712,COc1ccc(-c2cccc3c2CCC32OCCCO2)cc1C12CC3CC(CC(C3)C1)C2,INXAYZPMBYMNPL-UHFFFAOYSA-N
-rxn:4:183272:223185,c1cc2c(cc1-c1cnc(C3CNCCO3)nc1)OCCOCCOCCOCCOCCO2,CUVRRLDOJJPPES-UHFFFAOYSA-N
-rxn:4:183272:227115,Cc1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCO3)c(F)cc1C1CC1,CPXIFQDDWSWSTM-UHFFFAOYSA-N
-rxn:4:183274:229264,Clc1ccncc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCOCCO2,NVKNSADAHFJQQV-UHFFFAOYSA-N
-rxn:4:183484:222785,COC(=O)C(C(=O)OC)c1cc(-c2ccc(F)c(NC(=O)OC(C)(C)C)c2)ccc1C#N,YFATZVCGESTIND-UHFFFAOYSA-N
-rxn:4:183586:223680,COC(=O)C(C(=O)OC)c1c([N+](=O)[O-])ccc(F)c1-c1cc(F)c(-c2cccc(C(F)(F)F)c2)cc1OC,AUHOMTAUKNPQEG-UHFFFAOYSA-N
-rxn:4:183605:224285,COC(=O)c1cc(OCC2CC2)c(-c2ccc(OCCN3CCOCC3)cc2F)cc1[N+](=O)[O-],JJTLKHNKQPUUOZ-UHFFFAOYSA-N
-rxn:4:183610:225369,COC(=O)c1cc(-c2cc(OC(F)(F)F)ccc2OCC(=O)N2CCC2)c(Cl)c([N+](=O)[O-])c1,WKHARUFCXNDHRE-UHFFFAOYSA-N
-rxn:4:183668:222918,CC(C)(C)NS(=O)(=O)c1cccc(-c2ccc(C(=O)C(C#N)C(=O)OC(C)(C)C)cc2)c1,DFRURUZXUHKHNZ-UHFFFAOYSA-N
-rxn:4:183668:224486,CC(C)N(C(=O)c1cccc(-c2ccc(C(=O)C(C#N)C(=O)OC(C)(C)C)cc2)c1)C(C)C,SDGQSXFXJKWMQV-UHFFFAOYSA-N
-rxn:4:183668:224967,COC(=O)c1cc(-c2ccc(C(=O)C(C#N)C(=O)OC(C)(C)C)cc2)cc(C(C)(C)C)c1,HVNKUWFYLYTEJE-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:4:183695:224257,CC1CCCCN1C(=O)c1ccc(Cl)c(-c2cc(OC(F)(F)F)ccc2OCC(=O)N2CCCC2)c1,WINKBQLECVQLQU-UHFFFAOYSA-N
-rxn:4:183726:226566,CCCOc1cc(-c2cc(OC)ccc2C(=O)OC)ccc1C(=O)ON1C(=O)CCC1=O,VULSZZXRGOZMEV-UHFFFAOYSA-N
-rxn:4:183730:224805,CCOC(=O)c1cc(-c2ccc(OC(F)(F)F)cc2OCC(=O)N2CCOCC2)cc(C(F)(F)F)c1,UUJMPXOMQYNTDG-UHFFFAOYSA-N
-rxn:4:183732:223279,FC1(F)CCN(CCOc2ccc(OC(F)(F)F)cc2-c2cnc(C3CCCN3)nc2)C1,AHUBSCQUYILVLB-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:4:183765:223179,CONC(=O)c1cc(-c2ccccc2S(=O)(=O)N2CCC(SCC(=O)OC)C2)ccc1F,AWELWUCNIJENHW-UHFFFAOYSA-N
-rxn:4:183795:224075,COC(=O)c1ccc(N(C)C(=O)OC(C)(C)C)c(-c2ccc3ccn([Si](C)(C)C(C)(C)C)c3c2)c1,JRCCDFCLODLINY-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:4:183802:226844,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:4:183807:226844,CC(C)COc1cc(-c2ccnc(C(=O)C(F)(F)F)c2)ccc1C(=O)ON1C(=O)CCC1=O,VZZMPFPLKRNZEB-UHFFFAOYSA-N
-rxn:4:183808:223766,CC(C)(C)OC(=O)n1c(-c2ccc(OC(F)(F)F)cc2OCCN2CCC(F)(F)CC2)cc2cc(C#N)ccc21,YHFAYMKMXFPJPT-UHFFFAOYSA-N
-rxn:4:183809:223279,FC1(F)CCCN(CCOc2ccc(OC(F)(F)F)cc2-c2cnc(C3CCCN3)nc2)C1,MIFHIRABELEDCI-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:4:183833:226844,C#Cc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1OC1CN(C(=O)OC(C)(C)C)C1,FYAKVKJOWLRCEB-UHFFFAOYSA-N
-rxn:4:183836:226032,CCN(C(=O)COc1ccc(-c2cc(OC)cc(C(F)(F)F)c2F)cc1)C1CCS(=O)(=O)C1,INQYWEBFHJWZSK-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:4:183866:223179,CCOC(=O)c1c(C)c(-c2ccc(F)c(C(=O)NOC)c2)c(C)n1C(=O)OC(C)(C)C,YAFODHVCBWHFSL-UHFFFAOYSA-N
-rxn:4:183877:223536,CC(C)(C)OC(=O)N1CCN(c2cc(-c3c(Cl)cccc3OCC3CN(C(=O)OC(C)(C)C)C3)cc(F)c2F)CC1,LBBVUWGETZFKTJ-UHFFFAOYSA-N
-rxn:4:183877:223652,COc1ccc(Cl)c2cc(-c3c(Cl)cccc3OCC3CN(C(=O)OC(C)(C)C)C3)n(C(=O)OC(C)(C)C)c12,MBRPNVUZOFPGTH-UHFFFAOYSA-N
-rxn:4:183877:224270,CC(C)(C)OC(=O)N1CC(COc2cccc(Cl)c2-c2cn(C(=O)OC(C)(C)C)c3ncccc23)C1,BFAGGNXPBSHWPF-UHFFFAOYSA-N
-rxn:4:183877:226729,CC(C)(C)OC(=O)N1CC(COc2cccc(Cl)c2-c2cnc(OC3CCOC3)nc2)C1,ONBYDCVSAXYZPQ-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:4:183880:223179,CONC(=O)c1cc(-c2ccc(OCC3CN(C(=O)OC(C)(C)C)C3)c(F)c2)ccc1F,FOPXBYMUOLHOON-UHFFFAOYSA-N
-rxn:4:183881:223179,CONC(=O)c1cc(-c2ccc(OCC3CN(C(=O)OC(C)(C)C)C3)cc2F)ccc1F,NGAOGIHUSDAUFE-UHFFFAOYSA-N
-rxn:4:183892:224182,COC(=O)c1cc(OCCN2CCC(F)(F)CC2)cc(-c2ccc(OCCN3CCOCC3)c(C)c2)c1,BFOSGTQISYMFAI-UHFFFAOYSA-N
-rxn:4:183892:224591,COC(=O)c1cc(OCCN2CCC(F)(F)CC2)cc(-c2ccc(Cl)c(CN3CCC(C)CC3)c2)c1,BQXQNHFNLNNFCK-UHFFFAOYSA-N
-rxn:4:183892:225348,COC(=O)c1cc(OCCN2CCC(F)(F)CC2)cc(-c2cc(C(F)(F)F)ccc2C(=O)OC)c1,KCBUDLDRDMXYDZ-UHFFFAOYSA-N
-rxn:4:183893:223279,Fc1cccc(-c2cnc(C3CCCN3)nc2)c1OCCCN1CCCC(C(F)(F)F)C1,NGLYQEDUICQYNG-UHFFFAOYSA-N
-rxn:4:183899:224075,CC(C)N(Cc1cccc(Cl)c1-c1ccc2ccn([Si](C)(C)C(C)(C)C)c2c1)C(=O)OC(C)(C)C,DMTOMZMLNXSBNW-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:4:183915:226554,CCCOc1cc(F)c(-c2cc(OC(F)(F)F)ccc2OCCN2CCC(C)CC2)cc1F,LGKAZAKRUQKEJW-UHFFFAOYSA-N
-rxn:4:183915:226555,CCCOc1cc(-c2cc(OC(F)(F)F)ccc2OCCN2CCC(C)CC2)c(F)cc1F,JCQIZZSXADQHBH-UHFFFAOYSA-N
-rxn:4:183935:223932,COc1cc(C(=O)N(C(C)C)C(C)C)c(-c2cc3c(Cl)cccc3n2C(=O)OC(C)(C)C)cc1OC,GWFPFGZYYFFJKG-UHFFFAOYSA-N
-rxn:4:183937:223179,CONC(=O)c1cc(-c2cc(F)ccc2CN(C(=O)OC(C)(C)C)C2CCC2)ccc1F,MANPVFMWSKLUOH-UHFFFAOYSA-N
-rxn:4:183957:226844,CC(C)(C)OC(=O)N1CCC(COc2cccc(-c3ccnc(C(=O)C(F)(F)F)c3)c2)C1,POBPKIGZVHLTDT-UHFFFAOYSA-N
-rxn:4:183958:223179,CONC(=O)c1cc(-c2ccc(OCC3CCN(C(=O)OC(C)(C)C)C3)cc2)ccc1F,JVSLFAQXUDLFMV-UHFFFAOYSA-N
-rxn:4:183959:226844,Cc1cc(-c2ccnc(C(=O)C(F)(F)F)c2)ccc1OCC1CN(C(=O)OC(C)(C)C)C1,IKGGFBYJEDEJTJ-UHFFFAOYSA-N
-rxn:4:183962:223589,Cc1cc(OCC2CN(C(=O)OC(C)(C)C)C2)cc(-c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2C)c1,WTEKZQQSRWDASU-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:4:183963:224268,Cc1cccc(OCC2CN(C(=O)OC(C)(C)C)C2)c1-c1ccc2c(cnn2C(=O)OC(C)(C)C)c1,XDFDAUYYYPGBBY-UHFFFAOYSA-N
-rxn:4:183964:223179,CONC(=O)c1cc(-c2cc(OCCN3CCC(C)CC3)cc(C(=O)OC)c2)ccc1F,NTYDHHOGSDPQCL-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:4:183969:223179,CCOC(=O)C1CCN(S(=O)(=O)c2ccc(-c3ccc(F)c(C(=O)NOC)c3)c(OC)c2)CC1,KSQHFJYSCINGGC-UHFFFAOYSA-N
-rxn:4:183969:228171,CCOC(=O)C1CCN(S(=O)(=O)c2ccc(-c3ccc(OCC)c(F)c3)c(OC)c2)CC1,JFCWHZJDUCCBQJ-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:4:183983:225395,Cc1ccc(-c2cc(C3CC3)cc(C(C)(C)C)c2)cc1CN(C(=O)OC(C)(C)C)C(C)C,AEWWFDVRPBQMRL-UHFFFAOYSA-N
-rxn:4:183984:223556,Cc1cc(-c2ccc3c(c2)c2ccccc2n3C(=O)OC(C)(C)C)ccc1CN(C(=O)OC(C)(C)C)C(C)C,AJICLBPTHUSGCI-UHFFFAOYSA-N
-rxn:4:183986:223524,COc1ccc2c(c1)c(-c1cc(C)c(F)c(CN(C(=O)OC(C)(C)C)C(C)C)c1)cn2S(=O)(=O)c1ccc(C)cc1,BNIQOLAVIVIEMH-UHFFFAOYSA-N
-rxn:4:183989:228814,CSc1cccc(-c2cc(F)cc(F)c2CC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)c1Cl,QOKGGKUKBAUIPN-IBGZPJMESA-N
-rxn:4:183994:223179,CONC(=O)c1cc(-c2ccc(CN(C(=O)OC(C)(C)C)C3CCCC3)cc2)ccc1F,NULMUDGSXHMOCA-UHFFFAOYSA-N
-rxn:4:183995:225564,COC(=O)C(C)(C)c1cccc(-c2cc(C)cc(CN(C(=O)OC(C)(C)C)C3CCC3)c2)c1,LHROITRWOAHDMV-UHFFFAOYSA-N
-rxn:4:183997:223179,CONC(=O)c1cc(-c2c(Cl)cccc2CN(C(=O)OC(C)(C)C)C2CCCC2)ccc1F,ZQQQYLQNXIAVFA-UHFFFAOYSA-N
-rxn:4:184001:223279,COC(=O)C1(c2ccc(-c3cnc(C4CCCN4)nc3)cc2Cl)CCN(C(=O)OC(C)(C)C)C1,LDZADLFQFDQODT-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:4:184004:223179,CONC(=O)c1cc(-c2ccc(C=C3SC(=S)N(CCc4ccc(OC)c(OC)c4)C3=O)cc2)ccc1F,OOYFBWWXGGHUMD-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:4:184006:223179,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:4:184010:226844,CCOc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1S(=O)(=O)N(CC)C1CCCCC1,ZZQOYSPHEZPYBL-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:4:184012:223179,CCCOc1cc(S(=O)(=O)N(C)C2CCCCC2)ccc1-c1ccc(F)c(C(=O)NOC)c1,DWUNTBXNODYEFB-UHFFFAOYSA-N
-rxn:4:184012:223279,CCCOc1cc(S(=O)(=O)N(C)C2CCCCC2)ccc1-c1cnc(C2CCCN2)nc1,FZCGYOUGKBOKNR-UHFFFAOYSA-N
-rxn:4:184013:223179,CONC(=O)c1cc(-c2ccc(COC3CCN(C(=O)OC(C)(C)C)CC3)cc2)ccc1F,HVIQWWONUGRWGK-UHFFFAOYSA-N
-rxn:4:184015:223179,CONC(=O)c1cc(-c2cccc(COC3CCN(C(=O)OC(C)(C)C)CC3)c2)ccc1F,UBJPWDLYUJNRSM-UHFFFAOYSA-N
-rxn:4:184015:223279,CC(C)(C)OC(=O)N1CCC(OCc2cccc(-c3cnc(C4CCCN4)nc3)c2)CC1,WUBFIQALJVJNAJ-UHFFFAOYSA-N
-rxn:4:184016:223279,CC(C)(C)OC(=O)N1CCC(OCc2ccccc2-c2cnc(C3CCCN3)nc2)CC1,MXOUEZYVBBBPRT-UHFFFAOYSA-N
-rxn:4:184018:223179,CONC(=O)c1cc(-c2ccccc2OCC2CCN(C(=O)OC(C)(C)C)CC2)ccc1F,KJEITMXIWMSFHU-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:4:184021:223179,CONC(=O)c1cc(-c2c(Cl)cccc2CN(C(=O)OC(C)(C)C)C2CCOCC2)ccc1F,UWTZTZMMNCJKRU-UHFFFAOYSA-N
-rxn:4:184022:223279,CC(C)(C)OC(=O)N1CCC(COc2cc(Cl)ccc2-c2cnc(C3CCCN3)nc2)CC1,QXDFVXOSWWQVQQ-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:4:184025:223179,CONC(=O)c1cc(-c2ccc(Cl)c(OCC3CCN(C(=O)OC(C)(C)C)CC3)c2)ccc1F,HHXVLXQWMHGOKE-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:4:184027:223279,CC(C)(C)OC(=O)N1CCC(COc2ccc(-c3cnc(C4CCCN4)nc3)cc2F)CC1,SSBXVKNUPSJNEN-UHFFFAOYSA-N
-rxn:4:184027:225526,CCN(CC)C(=O)c1cccc(-c2ccc(OCC3CCN(C(=O)OC(C)(C)C)CC3)c(F)c2)c1,QJHGQSMQSVMOEJ-UHFFFAOYSA-N
-rxn:4:184027:227342,COC(=O)c1ccc(-c2ccc(OCC3CCN(C(=O)OC(C)(C)C)CC3)c(F)c2)cc1C,ZQKJMBKXJXLWQL-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:4:184030:223179,CONC(=O)c1cc(-c2c(F)cccc2OCC2CCN(C(=O)OC(C)(C)C)CC2)ccc1F,OKBRPJWBECVWRX-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:4:184032:223179,CONC(=O)c1cc(-c2cc(F)cc(OCC3CCCCN3C(=O)OC(C)(C)C)c2)ccc1F,ORZDRTSONXGLNX-UHFFFAOYSA-N
-rxn:4:184033:228679,CC(C)(C)OC(=O)N1CCCC(OS(=O)(=O)c2ccc(-c3cnn(CC4CC4)c3)cc2)C1,SBHFWMKBQLHUGY-UHFFFAOYSA-N
-rxn:4:184034:222589,CCOC(=O)C1CCN(S(=O)(=O)c2cc(-c3ccc(OCCN4CCC(O)CC4)c(Cl)c3)c(C)cc2OC)CC1,TWEKSZJNDKJWQJ-UHFFFAOYSA-N
-rxn:4:184034:223279,CCOC(=O)C1CCN(S(=O)(=O)c2cc(-c3cnc(C4CCCN4)nc3)c(C)cc2OC)CC1,BLAYHBZTNBIJSE-UHFFFAOYSA-N
-rxn:4:184049:226844,COc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)c(C(=O)N2CCC(S(=O)(=O)Cc3ccco3)CC2)c1,RZKARNUJWWAMCE-UHFFFAOYSA-N
-rxn:4:184053:226844,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:4:184054:223179,CONC(=O)c1cc(-c2ccc(CC(=O)N3CCC(S(=O)(=O)CC(C)C)CC3)cc2)ccc1F,NPRAKDURMMGKKF-UHFFFAOYSA-N
-rxn:4:184056:223179,CONC(=O)c1cc(-c2ccc(OC3CCN(C(=O)OC(C)(C)C)CC3)cc2OC)ccc1F,PPBIIOXPIGPTRU-UHFFFAOYSA-N
-rxn:4:184066:226844,CC(C)(C)OC(=O)N(Cc1cccc(Cl)c1-c1ccnc(C(=O)C(F)(F)F)c1)C1CCCCC1,VTDZVFBENYPHLW-UHFFFAOYSA-N
-rxn:4:184068:223279,O=C(CCc1ccccc1-c1cnc(C2CCCN2)nc1)N1CC(S(=O)(=O)C2CCCCC2)C1,FWVRFUYWPUEGNQ-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:4:184070:223509,COC(=O)C1(c2ccc(-c3cccc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c3)cc2C)CCN(C(=O)OC(C)(C)C)C1,LZTOWYARWMWWRC-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:4:184074:226836,CCc1ccc(CN(C(=O)c2ccccc2-c2cn(C(C)C)nc2C(F)(F)F)C2CCS(=O)(=O)C2)cc1,JIXNPLGYEWHHJQ-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:4:184096:223179,CONC(=O)c1cc(-c2ccc(CN(C(=O)OC(C)(C)C)C3CCC(C)(C)CC3)cc2)ccc1F,JNDPBKNQDUHNQE-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:4:184099:223179,CONC(=O)c1cc(-c2ccc(C(C)N(C(=O)OC(C)(C)C)C3CCC(C)(C)CC3)cc2)ccc1F,LZTCTMRDBWXRDS-UHFFFAOYSA-N
-rxn:4:184099:229087,CC(=O)c1ccsc1-c1ccc(C(C)N(C(=O)OC(C)(C)C)C2CCC(C)(C)CC2)cc1,YSAGMGQRVPSSIV-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:4:184134:224842,CCOC(=O)c1c(-c2ccc3c(c2)C(C)(C)CCC3(C)C)c2ccccc2n1C(=O)OC(C)(C)C,QVAADRGLAITWIW-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:4:184164:224609,COC(=O)c1c(C)oc2ccc(N(C(C)=O)S(=O)(=O)c3ccc(-c4cnccc4C(=O)N(C(C)C)C(C)C)cc3)cc12,KHHGWZRYINNOPQ-UHFFFAOYSA-N
-rxn:4:184164:224847,COC(=O)c1c(C)oc2ccc(N(C(C)=O)S(=O)(=O)c3ccc(-c4cc(C(C)(C)C)ccc4C(C)(C)C)cc3)cc12,OLHPEHLSDTVXKN-UHFFFAOYSA-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:4:184189:223279,COC(=O)C1CCN(C(=O)Cc2c(OC)ccc3cc(-c4cnc(C5CCCN5)nc4)ccc23)CC1,DQZFZFYTXBUZCQ-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:4:184207:222788,CC(=O)c1c(C)oc2ccc(N(C(=O)c3ccccc3Cl)S(=O)(=O)c3ccc(-c4ccc(NC(=O)OC(C)(C)C)cc4F)cc3)cc12,PGVVJRWERLHYAY-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:4:184219:222838,CC(C)(C)OC(=O)n1c(-c2ccc(CNC(=O)C(C)(C)C)cc2)cc2cc(O[Si](C)(C)C(C)(C)C)ccc21,QIRLKPGJMONMDW-UHFFFAOYSA-N
-rxn:4:184222:223279,CC(C)(C)OC(=O)N(Cc1ccc(-c2cnc(C3CCCN3)nc2)c2ccccc12)C1CCCCC1,VDSCGJHSFUMPFE-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:4:184386:224174,CCN(C(=O)OC(C)(C)C)c1ccc(-c2c(CC(=O)OC)cc(C#N)cc2C(F)F)cc1,VEVJOOHWVDXPBZ-UHFFFAOYSA-N
-rxn:4:184444:223697,COC(=O)Cc1cc(C(F)(F)F)c(C#N)cc1-c1ccc(S(=O)(=O)N2CCCCC2)cc1C(F)(F)F,DWFZBZIIEUSTHA-UHFFFAOYSA-N
-rxn:4:184714:223593,COCCS(=N)(=O)c1cc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c(Cl)c2)ccc1OC,LBWNOAFZSXIJEJ-UHFFFAOYSA-N
-rxn:4:184817:223591,CCN(CC)CCc1cc(F)ccc1-c1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1F,VDOWPZOXDCRUPA-UHFFFAOYSA-N
-rxn:4:184871:223602,CCSc1ncc(-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2Cl)cc1C(=O)OC(C)(C)C,PKGZQYRQUWEDCC-UHFFFAOYSA-N
-rxn:4:185026:224188,CC(C)N(C(=O)c1ccc(-c2ccc(SC3CN(C(=O)OC(C)(C)C)C3)cc2)c(Cl)c1)C(C)C,WGVLVYSRXKIEGH-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:4:185062:223279,Fc1cc(Cl)cc(-c2cnc(C3CCCN3)nc2)c1OCCN1CCC(C(F)(F)F)CC1,ARVSEUVMBIPWSO-UHFFFAOYSA-N
-rxn:4:185079:222518,CC(C)N(C(=O)OC(C)(C)C)c1ccc(-c2ccc(F)c3sc(NC(=O)OC(C)(C)C)nc23)cc1,VJVOKPUQSUFMDQ-UHFFFAOYSA-N
-rxn:4:185089:222788,COc1cc(C(=O)N(C(C)C)C(C)C)ccc1-c1ccc(NC(=O)OC(C)(C)C)cc1F,LFDCEQWYRZPNHI-UHFFFAOYSA-N
-rxn:4:185094:224360,COC(=O)c1ccc(-c2cc(OC)ccc2C(=O)N(C(C)C)C(C)C)n1C(=O)OC(C)(C)C,PNHKIQQGDIEDGX-UHFFFAOYSA-N
-rxn:4:185102:225366,CC(C)CN(C(=O)c1ccc(-c2ccc(C(C)(F)F)cc2C(F)(F)F)o1)C1CCS(=O)(=O)C1,PZNJUCNGOVRIHA-UHFFFAOYSA-N
-rxn:4:185102:226762,CSc1cc(-c2ccc(C(=O)N(CC(C)C)C3CCS(=O)(=O)C3)o2)cc(C(F)(F)F)c1,HHLVSKYWZFRXLM-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:4:185105:225304,CC(C)CS(=O)(=O)C1CN(C(=O)c2ccccc2-c2cc(C(F)(F)F)cnc2C(C)(C)C)C1,JAFPTJQKVONFRP-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:4:185115:223179,CONC(=O)c1cc(-c2ccccc2S(=O)(=O)CC(=O)N2CCCC(C(F)(F)F)C2)ccc1F,SFINBGCBFRZHPU-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:4:185118:226889,O=C(CS(=O)(=O)c1cccc(-c2cc(Cl)cc(C(F)(F)F)c2F)c1)N1CCC(C(F)(F)F)CC1,JZECJOSHQBDMMN-UHFFFAOYSA-N
-rxn:4:185127:222944,CC(C)(C)[Si](C)(C)OCc1cc(-c2ccc(S(=O)(=O)NC3CC3)cc2F)ccc1[N+](=O)[O-],WUAUMWFUIIEWLE-UHFFFAOYSA-N
-rxn:4:185130:223773,COc1cccc2cc(-c3cccc(CC4CN(C(=O)OC(C)(C)C)C4)c3)n(C(=O)OC(C)(C)C)c12,CRKTYZJEKWYYOL-UHFFFAOYSA-N
-rxn:4:185131:222866,COc1ccc(-c2cccc(NC(=O)OC(C)(C)C)c2)cc1S(=O)(=O)N(C(C)C)C(C)C,BOUGZUIBMBAKMC-UHFFFAOYSA-N
-rxn:4:185135:222864,COC(=O)C1CCN(CCc2cc(-c3ccc(OCCNC(C)C)c(F)c3)ccc2Cl)CC1,PJXJMBKZIQSIQS-UHFFFAOYSA-N
-rxn:4:185135:225061,COC(=O)C1CCN(CCc2cc(-c3ccc(N4CCC(C)CC4)cc3F)ccc2Cl)CC1,OPHVSEXVTGGSFO-UHFFFAOYSA-N
-rxn:4:185139:223954,COC(=O)C1CCN(CCc2ccc(F)c(-c3ccc(OCCN4CCC(=O)CC4)c(F)c3)c2)CC1,YIBLLZVNUBLMSW-UHFFFAOYSA-N
-rxn:4:185145:224588,CCOC(=O)C1CCCN(S(=O)(=O)c2ccc(-c3cc(F)cc(CN4CCC(C)CC4)c3)cc2)C1,GEGJVVCDOGXIND-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:4:185148:224421,CC(C)c1cc(C(C)C)c(-c2ccc(S(=O)(=O)C3CN(C(=O)OC(C)(C)C)C3)cc2)c(C(C)C)c1,KFZRYICENCXSIV-UHFFFAOYSA-N
-rxn:4:185149:222825,CC(C)(C)NS(=O)(=O)c1ccc(Cl)cc1-c1cccc(S(=O)(=O)C2CN(C(=O)OC(C)(C)C)C2)c1,JZYKZNVULIIPBC-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:4:185150:225939,CC(C)c1cc(-c2ccccc2S(=O)(=O)C2CN(C(=O)OC(C)(C)C)C2)cnc1C(F)(F)F,JDYFFTZYHOSGRI-UHFFFAOYSA-N
-rxn:4:185154:225923,COC(=O)c1ccc(-c2cnc(OC3CCCC3)nc2Cl)cc1CN1CCCC(C(F)(F)F)C1,IUNDSTFWYYYHIU-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:4:185155:226844,COC(=O)c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1CN1CCC(C(F)(F)F)CC1,UBSXKFHVWZGPLV-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:4:185156:223831,COC(=O)c1cc(-c2ccc(OC)c(S(=O)(=O)N3CCC(C)CC3)c2)ccc1CN1CCC(C(F)(F)F)CC1,BADYIQROIRYGKB-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:4:185158:223999,COC(=O)c1cc(CN2CCC(C(F)(F)F)CC2)cc(-c2cc(S(=O)(=O)N3CCC(C)CC3)ccc2F)c1,LHHKKNDWMKSMLW-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:4:185160:223179,CONC(=O)c1cc(-c2ccc(C(=O)OC)cc2CN2CCCC(C(F)(F)F)C2)ccc1F,WGRREYGVVGGIFA-UHFFFAOYSA-N
-rxn:4:185161:223288,CNS(=O)(=O)c1cccc(-c2cc(C(F)(F)F)ccc2C2CN(C(=O)OC(C)(C)C)C2)c1,KWEKVYRRLDFUHY-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:4:185165:223179,CONC(=O)c1cc(-c2ccc(C(F)(F)F)c(C3CN(C(=O)OC(C)(C)C)C3)c2)ccc1F,SOBJQOZKOFNCPK-UHFFFAOYSA-N
-rxn:4:185197:225829,Cc1ccc(-c2cnc(N3CCC(C)CC3)nc2)cc1OC1CN(C(=O)OC(C)(C)C)C1,NPDUQYOVHXZGES-UHFFFAOYSA-N
-rxn:4:185199:222584,COC(=O)c1cc(CN2CCC(OC)CC2)cc(-c2ccc(OCCCN3CCNCC3)c(F)c2)c1,FBXXCJBHNIDRQR-UHFFFAOYSA-N
-rxn:4:185201:223886,COc1cc(C2CN(C(=O)OC(C)(C)C)C2)ccc1-c1cccc2c1CCN(C(=O)OC(C)(C)C)C2,HLLIEMLMRDVQFU-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:4:185209:223179,CCOc1cccc(-c2ccc(F)c(C(=O)NOC)c2)c1CN1CCC(C(F)(F)F)CC1,RBWANMFEZLTPFF-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:4:185210:226844,CCOc1cccc(-c2ccnc(C(=O)C(F)(F)F)c2)c1CN1CCCC(C(F)(F)F)C1,UYYPNTFRSWKPPA-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:4:185224:223179,CONC(=O)c1cc(-c2cc(OC)c(C(=O)N3CCC(C(F)(F)F)CC3)c(OC)c2)ccc1F,QDZMVWUNIBLGRA-UHFFFAOYSA-N
-rxn:4:185243:226844,CC(C)CN(C(=O)c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1)C1CCS(=O)(=O)C1,DCBSBXUTTPAIIT-UHFFFAOYSA-N
-rxn:4:185244:226844,CC(C)CN(C(=O)c1cccc(-c2ccnc(C(=O)C(F)(F)F)c2)c1)C1CCS(=O)(=O)C1,NMFKIUMQZXRDKO-UHFFFAOYSA-N
-rxn:4:185244:226890,CC(C)CN(C(=O)c1cccc(-c2cc(F)c(C(F)(F)F)cc2Cl)c1)C1CCS(=O)(=O)C1,IZODIOUHTVBXFR-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:4:185249:226844,COc1cc(-c2ccnc(C(=O)C(F)(F)F)c2)cc(OC)c1CN1CCCCC1C(F)(F)F,UZKWGUPAUHIFOG-UHFFFAOYSA-N
-rxn:4:185260:222823,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc(CC3CCN(C(=O)OC(C)(C)C)C3)cc2)c(F)c1,AGBXDUUCBHGJND-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:4:185265:226844,CC(C)(C)OC(=O)CN1CC(c2cccc(-c3ccnc(C(=O)C(F)(F)F)c3)c2)OCC1=O,JPJPTNBOUGLVLK-UHFFFAOYSA-N
-rxn:4:185266:225991,CC(C)CN(C1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(-c2cc(C(F)(F)F)nn2CC(C)C)cc1,OMZNLSAVZBAFHO-UHFFFAOYSA-N
-rxn:4:185266:227801,CC(C)CN(C1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(-c2c(C(F)(F)F)ccnc2F)cc1,YYKNVIGIGKGANW-UHFFFAOYSA-N
-rxn:4:185267:223540,CCOC(=O)C1CCN(S(=O)(=O)c2cc(C)cc(-c3cc(S(=O)(=O)N4CCC5(CC4)OCCO5)ccc3OC)c2)CC1,NOGMUIWTHKRQIU-UHFFFAOYSA-N
-rxn:4:185270:226421,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3ccc(Cl)cc3N3CCCC3)cc2C(F)(F)F)C1,RWBHHCZFHNQVJK-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:4:185271:226844,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:4:185292:225303,CC(C)(C)c1cc(-c2ccc(C(=O)N(Cc3ccccc3F)C3CCS(=O)(=O)C3)cc2)cc(C(F)(F)F)n1,PTFUKWWVEBKDTP-UHFFFAOYSA-N
-rxn:4:185303:223179,CCOc1ccc(-c2ccc(F)c(C(=O)NOC)c2)cc1S(=O)(=O)N(C)C1CCCCC1,SRWYTFCLWQXYFG-UHFFFAOYSA-N
-rxn:4:185303:225656,CCOc1ccc(-c2cncc(N3CCCCC3C)c2)cc1S(=O)(=O)N(C)C1CCCCC1,KKKLKBXAMSEUTJ-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:4:185306:223179,CCOc1cc(S(=O)(=O)N(C)C2CCCCC2)ccc1-c1ccc(F)c(C(=O)NOC)c1,CJLLWKGRJWVWEN-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:4:185309:224710,CCCCOc1cc(-c2cccc(OC3CCN(C(=O)OC(C)(C)C)CC3)c2)cc(C(F)(F)F)c1,WDTHZVPFSKZXCN-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:4:185314:226844,CC(C)(C)OC(=O)N1CCCC(Oc2cccc(-c3ccnc(C(=O)C(F)(F)F)c3)c2)C1,GGRIZIKDEXUOIM-UHFFFAOYSA-N
-rxn:4:185315:223775,COc1ccc2c(c1)c(-c1ccc(C3CC3)c(C3CN(C(=O)OC(C)(C)C)C3)c1)cn2C(=O)OC(C)(C)C,WHQDUPWNDKNVMB-UHFFFAOYSA-N
-rxn:4:185315:223823,CC(C)(C)OC(=O)N1CCC(n2cc(-c3ccc(C4CC4)c(C4CN(C(=O)OC(C)(C)C)C4)c3)cn2)CC1,NVDSYTJQJRZICV-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:4:185317:226844,CC(C)(C)OC(=O)N1CC(c2ccc(C3CC3)c(-c3ccnc(C(=O)C(F)(F)F)c3)c2)C1,LIZHZAOMXOVVTC-UHFFFAOYSA-N
-rxn:4:185318:223179,CONC(=O)c1cc(-c2cc(C3CC3)cc(C3CN(C(=O)OC(C)(C)C)C3)c2)ccc1F,DMUYFWAZYYBFCF-UHFFFAOYSA-N
-rxn:4:185318:224614,CN(C(=O)OC(C)(C)C)c1ccc(-c2cc(C3CC3)cc(C3CN(C(=O)OC(C)(C)C)C3)c2)cc1,PBOKCZVYAOQLQN-UHFFFAOYSA-N
-rxn:4:185321:223179,CONC(=O)c1cc(-c2cc(OC3CCN(C(=O)OC(C)(C)C)CC3)ccc2Cl)ccc1F,XEVJKROYYFLADK-UHFFFAOYSA-N
-rxn:4:185323:225753,COC(=O)c1cnc(C2CC2)c(-c2ccc(OC3CCN(C(=O)OC(C)(C)C)CC3)c(F)c2)c1,DJUCUINHGZHWIS-UHFFFAOYSA-N
-rxn:4:185323:227528,COC(=O)c1ccc(-c2ccc(OC3CCN(C(=O)OC(C)(C)C)CC3)c(F)c2)cc1F,QEOWSSPFLZYCJY-UHFFFAOYSA-N
-rxn:4:185324:223279,CC(C)(C)OC(=O)N1CCC(Oc2cc(F)cc(-c3cnc(C4CCCN4)nc3)c2)CC1,PHVFPKCQUIPADX-UHFFFAOYSA-N
-rxn:4:185343:223179,CONC(=O)c1cc(-c2cccc(N3C(=O)C(=Cc4cc(OC)c(OC)c(OC)c4)SC3=S)c2)ccc1F,ADJYCFSOTVUHDS-UHFFFAOYSA-N
-rxn:4:185345:222636,CC(C)S(=O)(=O)c1oc(-c2ccc(F)cc2)nc1S(=O)(=O)c1ccc(-c2ccc([C@@H](C)NC(=O)OC(C)(C)C)cc2)cc1,SXFXTCHTNLENRK-HXUWFJFHSA-N
-rxn:4:185346:222546,CC(C)(C#Cc1ncccc1-c1ccc(OCCNC2CCCCC2)c(F)c1)O[Si](C)(C)C(C)(C)C,UMIOYSKYKKHSQZ-UHFFFAOYSA-N
-rxn:4:185348:222741,CCCOc1cc(S(=O)(=O)N2CC(C)OC(C)C2)ccc1-c1cc(C2CC2)nc(C2CCCNC2)c1,ABVXUISBHDTKBM-UHFFFAOYSA-N
-rxn:4:185348:223936,CCCOc1cc(S(=O)(=O)N2CC(C)OC(C)C2)ccc1-c1cc2c(F)cccc2n1C(=O)OC(C)(C)C,UBFIYCYFMMKWDJ-UHFFFAOYSA-N
-rxn:4:185352:223557,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc(C(=O)C4CCN(C(=O)OC(C)(C)C)CC4)cc3)c(F)ccc21,GGXWPKYGXMQGCU-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:4:185353:226844,CC(C)(C)S(=O)(=O)C1CCN(C(=O)Cc2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2)C1,ZDHXGORSZVFDMJ-UHFFFAOYSA-N
-rxn:4:185355:223279,CC(C)(C)OC(=O)N1CCC(C(=O)c2cccc(-c3cnc(C4CCCN4)nc3)c2)CC1,AUYNSJZVUAMKDJ-UHFFFAOYSA-N
-rxn:4:185355:223574,CC(C)(C)OC(=O)N1CCC(C(=O)c2cccc(-c3cccc(CN4CCN(C(=O)OC(C)(C)C)CC4)c3)c2)CC1,CIBHKWHLBFCTGB-UHFFFAOYSA-N
-rxn:4:185367:223179,CONC(=O)c1cc(-c2cc(C(C)C)ccc2OCC(=O)N2CCC(C)CC2)ccc1F,CYVULBFJQACJCT-UHFFFAOYSA-N
-rxn:4:185367:224285,CC1CCN(C(=O)COc2ccc(C(C)C)cc2-c2ccc(OCCN3CCOCC3)cc2F)CC1,CVBNPJFONCGYQN-UHFFFAOYSA-N
-rxn:4:185367:225087,CC1CCN(C(=O)COc2ccc(C(C)C)cc2-c2ccc(OCCCN(C)C)c(F)c2)CC1,DIMGGYDOCFVCBL-UHFFFAOYSA-N
-rxn:4:185368:223179,CONC(=O)c1cc(-c2ccc(OCC(=O)N3CCCCC3)c(C(C)(C)C)c2)ccc1F,IUUOWFKNTRBPEK-UHFFFAOYSA-N
-rxn:4:185368:226844,CC(C)(C)c1cc(-c2ccnc(C(=O)C(F)(F)F)c2)ccc1OCC(=O)N1CCCCC1,FSJGFBLUTZCBEJ-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:4:185372:226844,CCOC(=O)C1CCN(S(=O)(=O)c2cc(C)c(C)cc2-c2ccnc(C(=O)C(F)(F)F)c2)CC1,JBUUEKCMMCVYNT-UHFFFAOYSA-N
-rxn:4:185373:223279,CCOC(=O)C1CCN(S(=O)(=O)c2cc(-c3cnc(C4CCCN4)nc3)c(C)cc2C)CC1,GSTOZKUQMLNVGY-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:4:185375:226844,CC(C)CS(=O)(=O)C1CCN(S(=O)(=O)c2ccccc2-c2ccnc(C(=O)C(F)(F)F)c2)CC1,ALGHXWYUMYUHMX-UHFFFAOYSA-N
-rxn:4:185376:226844,CC(C)CS(=O)(=O)C1CCCN(S(=O)(=O)c2ccccc2-c2ccnc(C(=O)C(F)(F)F)c2)C1,FQCGSAIJHFBNAC-UHFFFAOYSA-N
-rxn:4:185379:223179,CONC(=O)c1cc(-c2cccc(C(F)(F)C3CCN(C(=O)OC(C)(C)C)CC3)c2)ccc1F,XEIMPFXCYDMOHM-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:4:185381:228225,CC(C)(C)OC(=O)N1CCCC(c2cc(-c3cc(Cl)cnc3C3CC3)cc(C(F)(F)F)c2)C1,LLVOJAYCHIPNEX-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:4:185384:226746,CCc1cnc(C(F)(F)F)cc1-c1ccc(C(F)(F)F)cc1C1CCCN(C(=O)OC(C)(C)C)C1,IJYAUWHAJALADO-UHFFFAOYSA-N
-rxn:4:185384:226844,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:4:185386:226844,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:4:185387:226844,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2C(F)(F)F)CC1,BJVQWYFGSQEZKJ-UHFFFAOYSA-N
-rxn:4:185390:224421,Cc1ccccc1C(=O)N(Cc1cccc(-c2c(C(C)C)cc(C(C)C)cc2C(C)C)c1)C1CCS(=O)(=O)C1,VRZVAHKOYAIZJF-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:4:185398:226607,COC(=O)C1=C(C)N(c2cccc(OC)c2)C(=O)C1=Cc1cccc(-c2cc(Cl)cc(OC(C)C)c2F)c1,PYCHUTAGVMJKJR-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:4:185404:223279,CC(C)(C)OC(=O)N1CCC(c2cc(C3CC3)ccc2-c2cnc(C3CCCN3)nc2)C1,JPLAPPYVYNCAPD-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:4:185406:226844,COc1cc(-c2ccnc(C(=O)C(F)(F)F)c2)cc(C2CCN(C(=O)OC(C)(C)C)CC2)c1,OWFDGBQKSQFJCH-UHFFFAOYSA-N
-rxn:4:185407:223529,COc1ccc(C2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccc(CN2CCN(C(=O)OC(C)(C)C)CC2)c(F)c1,GBLGMXKZWFMEPI-UHFFFAOYSA-N
-rxn:4:185407:223581,COC(=O)c1cccc2cc(-c3cc(C4CCN(C(=O)OC(C)(C)C)CC4)ccc3OC)n(C(=O)OC(C)(C)C)c12,VLPCQWYEWUPQBY-UHFFFAOYSA-N
-rxn:4:185407:223748,COc1ccc(C2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1cc(N2CCCCC2)cc(N2CCCCC2)c1,RAGSCZRLRBPVEE-UHFFFAOYSA-N
-rxn:4:185408:223279,CC(C)(C)OC(=O)N1CCC(c2cc(-c3cnc(C4CCCN4)nc3)ccc2C2CC2)C1,VDTZTAVKGKIDHZ-UHFFFAOYSA-N
-rxn:4:185408:223636,CC(C)(C)OC(=O)N1CCCC(c2ccc(-c3ccc(C4CC4)c(C4CCN(C(=O)OC(C)(C)C)C4)c3)cc2)C1,JZJINGYTVCFWAG-UHFFFAOYSA-N
-rxn:4:185412:223179,CONC(=O)c1cc(-c2cc(C3CCN(C(=O)OC(C)(C)C)C3)ccc2C2CC2)ccc1F,ZPILTRCOCBRQNT-UHFFFAOYSA-N
-rxn:4:185412:223279,CC(C)(C)OC(=O)N1CCC(c2ccc(C3CC3)c(-c3cnc(C4CCCN4)nc3)c2)C1,RVQPNIPTAMBAHE-UHFFFAOYSA-N
-rxn:4:185413:223279,COc1ccc(C2CCCN(C(=O)OC(C)(C)C)C2)cc1-c1cnc(C2CCCN2)nc1,CTGWLQVNYVPQJS-UHFFFAOYSA-N
-rxn:4:185414:223179,CONC(=O)c1cc(-c2cc(Cl)cc(C)c2OC2CCN(C(=O)OC(C)(C)C)CC2)ccc1F,QYZWFESUEQZKSQ-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:4:185424:223179,CONC(=O)c1cc(-c2cc(C3CC3)ccc2C2CN(C(=O)OC(C)(C)C)CCO2)ccc1F,JMVUDOUYWUJVBP-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:4:185428:227238,CCOC(=O)c1cccc(-c2cc(C(C)(C)C)ccc2OCC(=O)N2CCC(C)CC2)c1,ZSYUMWFFLTWSPC-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:4:185432:223179,CONC(=O)c1cc(-c2c(C)cc(OC3CCN(C(=O)OC(C)(C)C)CC3)cc2C)ccc1F,IZLIRARUWRQCJN-UHFFFAOYSA-N
-rxn:4:185432:223790,Cc1cc(OC2CCN(C(=O)OC(C)(C)C)CC2)cc(C)c1-c1cncc(C2CCCN2C(=O)OC(C)(C)C)c1,QADJHQMLIJROOE-UHFFFAOYSA-N
-rxn:4:185432:226481,COc1ccc(-c2c(C)cc(OC3CCN(C(=O)OC(C)(C)C)CC3)cc2C)cc1OCC#N,QULSASGDRFUUEB-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:4:185439:226844,CC1CN(C(=O)OC(C)(C)C)CCC1c1cc(-c2ccnc(C(=O)C(F)(F)F)c2)cc(C2CC2)c1,YAPZBMBJDGJCJJ-UHFFFAOYSA-N
-rxn:4:185441:226844,CC(C)(C)OC(=O)N1CCC(c2ccc(Cl)cc2)(c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2)CC1,RIVFBLSHZJVLDD-UHFFFAOYSA-N
-rxn:4:185446:223179,CONC(=O)c1cc(-c2ccc(C(C)N3CCC(O[Si](C)(C)C(C)(C)C)CC3)cc2)ccc1F,GKMHOKSUTQMSAT-UHFFFAOYSA-N
-rxn:4:185493:224411,COC(=O)c1ccc2c(-c3ccc(S(=O)(=O)N(C)C)cc3C(F)(F)F)cn(C(=O)OC(C)(C)C)c2c1,GNXJDCKTQPXDKN-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:4:185511:223678,COC(=O)c1cc(-c2cc(C(F)(F)F)cc(OCc3ccccc3)c2F)c2c(c1)N(C(=O)OC(C)(C)C)CC2,DBZOHHCPJFZXKT-UHFFFAOYSA-N
-rxn:4:185511:224076,COC(=O)c1cc(-c2ccc3c(ccn3[Si](C)(C)C(C)(C)C)c2)c2c(c1)N(C(=O)OC(C)(C)C)CC2,PMWWKHXXUDRJCZ-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:4:185516:224416,Cc1cccc2c1N(CCCOc1ccc(-c3cnc(C(F)(F)C(F)(F)C(F)(F)F)nc3)cc1)C(=O)C2=O,ONEFZWHQHGXGJK-UHFFFAOYSA-N
-rxn:4:185522:226844,CC(=O)Oc1cc(-c2ccnc(C(=O)C(F)(F)F)c2)cc2c1N(C(=O)OC(C)(C)C)CCO2,ASTFLPFCMNZTNT-UHFFFAOYSA-N
-rxn:4:185534:226844,COC(=O)C1CN(C(=O)OC(C)(C)C)Cc2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc21,FABKEZILMIPMNZ-UHFFFAOYSA-N
-rxn:4:185545:223636,CC(C)(C)OC(=O)N1CC(Oc2ccc3cc(-c4ccc(C5CCCN(C(=O)OC(C)(C)C)C5)cc4)ccc3c2)C1,CXUHOTRCFJAVTF-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:4:185578:226844,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:4:185589:223279,COc1ccc(-c2cnc(C3CCCN3)nc2)cc1C=C1Oc2cc(OC(=O)N3CCOCC3)ccc2C1=O,PZYSCLREAZMMIF-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:4:185608:226844,O=C(Cc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1)N1C2CCC1CC(S(=O)(=O)c1ccccc1)C2,ZNNUJLGBQYTBMK-UHFFFAOYSA-N
-rxn:4:185613:223179,CONC(=O)c1cc(-c2cc(CCC(=O)N3CCC4(CC3)OC(=O)c3ccccc34)ccc2OC)ccc1F,LVQVGXHLMZOJSN-UHFFFAOYSA-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:4:185648:226912,Cc1cc(CC(C)C)cc(-c2ccc(S(=O)(=O)N(C(=O)C3CCCCC3)c3ccc4oc5c(c4c3)CCCC5)cc2)c1,DVYNGYWNWYXOEO-UHFFFAOYSA-N
-rxn:4:185823:223559,COC(=O)Cc1c(F)cc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)cc1C#N,PPGPOULZIKTHRH-UHFFFAOYSA-N
-rxn:4:186736:222645,COC(=O)c1ccc(-c2cccc(OCCN3CCC(O)CC3)c2)c(CN2CC(F)(F)C2)c1,SEZFXFWMMBFITC-UHFFFAOYSA-N
-rxn:4:186829:223650,CCN(CC)Cc1cc(C)ccc1-c1ccccc1N1CCN(C(=O)OC(C)(C)C)CC1,VSBBOXZCMFULSY-UHFFFAOYSA-N
-rxn:4:186876:223835,Cc1cc(F)c(-c2ccc(F)cc2OCCN2CCOCC2)cc1S(=O)(=O)N1CCC(C)CC1,JYWARAUTJDROJY-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:4:187051:222717,Cc1cc(-c2ccc(F)cc2C(=O)N(C(C)C)C(C)C)c(S(=O)(=O)NC(C)(C)C)cc1F,NVLHJXZIUPZXGW-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:4:187117:225371,C#Cc1ccc(-c2cnc(C(F)(F)F)c(C(=O)OC)c2)cc1N1CCC(C(=O)OC)CC1,VZAVLVFPVBEVQD-UHFFFAOYSA-N
-rxn:4:187129:222816,COc1ccc(-c2ccccc2S(=O)(=O)CC(=O)N2CCCCC2)cc1S(=O)(=O)NC(C)C,WGILVPSKKDZQID-UHFFFAOYSA-N
-rxn:4:187143:223179,CONC(=O)c1cc(-c2cc(CC(=O)N3CCC(C(F)(F)F)CC3)ccc2Cl)ccc1F,AGBHGHJPARSTLG-UHFFFAOYSA-N
-rxn:4:187146:225266,CCCOc1ccc(C(F)(F)F)cc1-c1ccc(F)cc1CC(=O)N1CCCC(C(F)(F)F)C1,YAZSAYWIQDELCA-UHFFFAOYSA-N
-rxn:4:187147:223179,CONC(=O)c1cc(-c2ccc(F)cc2CC(=O)N2CCC(C(F)(F)F)CC2)ccc1F,WBDYBVLHKXGPLS-UHFFFAOYSA-N
-rxn:4:187148:226560,CCOc1cc(F)c(-c2ccc(CC(=O)N3CCCC(C(F)(F)F)C3)cc2F)cc1OC,YDUPAHWFWFIXNJ-UHFFFAOYSA-N
-rxn:4:187167:223947,CCN(C(=O)OC(C)(C)C)c1ccc(-c2ncccc2CO[Si](C)(C)C(C)(C)C)c(F)c1,WLWCLMPZLOYRRK-UHFFFAOYSA-N
-rxn:4:187190:223939,CC(C)(C)OC(=O)N1CC(c2cccc(-c3ccc4c(c3)N(C(=O)OC(C)(C)C)CCO4)c2)C1,FGXZEEPBQWKSOZ-UHFFFAOYSA-N
-rxn:4:187200:224180,COC(=O)c1ccc(-c2ccccc2OCCN2CCN(C)CC2)c(CN2CCCCC2)c1,QAJNMDKAYFWXIV-UHFFFAOYSA-N
-rxn:4:187200:224490,COC(=O)c1ccc(-c2ccccc2OCCN2CCCCC2)c(CN2CCCCC2)c1,CWHOAUSHLQOWRA-UHFFFAOYSA-N
-rxn:4:187203:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2cc(Cl)ccc2C2CN(C(=O)OC(C)(C)C)C2)cc1,FEYFSWNTORSCOE-UHFFFAOYSA-N
-rxn:4:187212:222936,CCC(=O)NS(=O)(=O)c1ccc(-c2ccc(C3CN(C(=O)OC(C)(C)C)C3)cc2F)cc1,JELSATHBADYLRZ-UHFFFAOYSA-N
-rxn:4:187226:225303,CC(C)C(=O)N(c1ccc(-c2cc(C(C)(C)C)nc(C(F)(F)F)c2)cc1)C1C=CS(=O)(=O)C1,DWQHRTVDWCEJKF-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:4:187276:223279,O=S(=O)(c1cc(-c2cnc(C3CCCN3)nc2)cc(C(F)(F)F)c1)N1CCC(C(F)(F)F)CC1,IRXGTYWMQCBJMH-UHFFFAOYSA-N
-rxn:4:187276:224270,CC(C)(C)OC(=O)n1cc(-c2cc(C(F)(F)F)cc(S(=O)(=O)N3CCC(C(F)(F)F)CC3)c2)c2cccnc21,LRXWFMSXHIRGJW-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:4:187287:223653,COc1cc2cc(-c3c(C)cccc3C(=O)N(C(C)C)C(C)C)n(C(=O)OC(C)(C)C)c2cc1Cl,IAKGJMLTUFFEEN-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:4:187374:224593,CC1CCN(Cc2cc(-c3cccc(S(=O)(=O)CC(=O)N4CCC(C)CC4)c3)ccc2F)CC1,CJELRUPDFMNEHY-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:4:187413:223891,CC(C)(C)OC(=O)N1CCCC1c1cccc(-c2c(F)ccc3c2ccn3[Si](C)(C)C(C)(C)C)c1,ZDUHVVKKEDKXEQ-UHFFFAOYSA-N
-rxn:4:187416:223977,CC(C)(C)OC(=O)c1ccc(C(F)(F)F)cc1-c1ccccc1C1CCCN1C(=O)OC(C)(C)C,PQISXGXRJCRNOC-UHFFFAOYSA-N
-rxn:4:187416:224256,CC1CCCCN1C(=O)c1cc(-c2ccccc2C2CCCN2C(=O)OC(C)(C)C)ccc1Cl,HCWNPWNAXCOXCF-UHFFFAOYSA-N
-rxn:4:187427:224481,COC(=O)c1cc(-c2ccc(OCCCN3CCCC3)cc2)ccc1CN1CCCC(C)C1,PMUHZXBBAFQEMR-UHFFFAOYSA-N
-rxn:4:187430:224244,COC(=O)c1cc(CN2CCCC(C)C2)cc(-c2ccc(Cl)c(C(=O)N3CCC(C)CC3)c2)c1,PGSVWNQKMZJZOL-UHFFFAOYSA-N
-rxn:4:187475:224421,CCC1CCCCN1c1ccc(-c2c(C(C)C)cc(C(C)C)cc2C(C)C)cc1COC,MHDOZTUBYAMDAS-UHFFFAOYSA-N
-rxn:4:187483:223077,CCC1CCCCN1S(=O)(=O)c1ccc(-c2ccc(S(=O)(=O)NC3CC3)cc2)c(OC)c1,JKOMUTBPJBABIP-UHFFFAOYSA-N
-rxn:4:187485:223003,CCOc1cc(S(=O)(=O)N2CCCC(C)C2)ccc1-c1ccc(Cl)c(C2CCNCC2)c1,PNCNTLNSDAAGOI-UHFFFAOYSA-N
-rxn:4:187488:223754,CCOc1ccc(-c2ccc(OCCCN3CCC(C)CC3)c(Cl)c2)cc1S(=O)(=O)N1CCC(C)CC1,HMELMMRWKVEHQO-UHFFFAOYSA-N
-rxn:4:187499:225876,COc1cc(-c2cc(Cl)ccc2N2CCOCC2)cc(OC)c1C(=O)N1CCCC(C)C1,PDYRSAFRGPHXOB-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:4:187505:226844,CC(C)(C)OC(=O)N1CCOC(c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2Cl)C1,QIFWKVBGEMBPTC-UHFFFAOYSA-N
-rxn:4:187506:223179,CONC(=O)c1cc(-c2ccc(C3CN(C(=O)OC(C)(C)C)CCO3)cc2F)ccc1F,PSKUUAPCKMDZCB-UHFFFAOYSA-N
-rxn:4:187506:226844,CC(C)(C)OC(=O)N1CCOC(c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)c(F)c2)C1,CLWXGLCAMUDMRR-UHFFFAOYSA-N
-rxn:4:187550:226844,COc1cc(S(=O)(=O)N2CCCCCC2)c(OC)cc1-c1ccnc(C(=O)C(F)(F)F)c1,XMANAVPRUNVSAQ-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:4:187553:223179,CCOc1cc(-c2ccc(F)c(C(=O)NOC)c2)ccc1S(=O)(=O)N1CC(C)OC(C)C1,SNHDCPGFPIRWMZ-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:4:187558:226844,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2)C(=O)C1,OQKHBPGAPSQAAC-UHFFFAOYSA-N
-rxn:4:187569:225087,Cc1ccc(OCC(=O)N2C(C)CCCC2C)c(-c2ccc(OCCCN(C)C)c(F)c2)c1,RCNYCVFGTFFLFV-UHFFFAOYSA-N
-rxn:4:187575:223503,CC(C)(C)OC(=O)N1CCC(Oc2cc(F)c(-c3cccc(C4CCCN(C(=O)OC(C)(C)C)C4)c3)c(F)c2)CC1,DPBSOCOQKMYNJB-UHFFFAOYSA-N
-rxn:4:187579:223179,CONC(=O)c1cc(-c2cc(C3CCN(C(=O)OC(C)(C)C)CC3C)co2)ccc1F,GFRPMJWPRHPVPI-UHFFFAOYSA-N
-rxn:4:187579:226844,CC1CN(C(=O)OC(C)(C)C)CCC1c1coc(-c2ccnc(C(=O)C(F)(F)F)c2)c1,RLHQVCKVEVZIAA-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:4:187584:226844,CC(C)(C)OC(=O)N1CCCC(c2cc(Cl)ccc2-c2ccnc(C(=O)C(F)(F)F)c2)C1,FYLOCNHNHWDXBB-UHFFFAOYSA-N
-rxn:4:187586:226844,CC(C)(C)OC(=O)N1CCCC(c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2Cl)C1,OSFOHMLWSJTTFX-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:4:187596:223934,CC(C)(C)OC(=O)N1CCC(c2cc(-c3cc4ccc(F)cc4n3C(=O)OC(C)(C)C)ccc2F)CC1,QNEFSIWJQVNJHF-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:4:187598:223179,CONC(=O)c1cc(-c2ccccc2C(=O)N2CC(S(=O)(=O)C3CCCCC3)C2)ccc1F,HUFAMKFGSJTLIQ-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:4:187626:223179,CCOc1ccc(-c2ccc(F)c(C(=O)NOC)c2)cc1S(=O)(=O)N1CC(C)CC(C)C1,DNYWRRNEAWEGMB-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:4:187632:223179,CONC(=O)c1cc(-c2ccc(C3(C)CN(C(=O)OC(C)(C)C)CCO3)cc2)ccc1F,JQGWNWJSVNDWJU-UHFFFAOYSA-N
-rxn:4:187634:223279,O=C(C1CCCCC1)N(c1ccc(-c2cnc(C3CCCN3)nc2)cc1)C1C=CS(=O)(=O)C1,AXDHPCNTGXYBKG-UHFFFAOYSA-N
-rxn:4:187635:223992,Cc1ccc(-c2ccc(S(=O)(=O)N3CCC(Cc4ccccc4)CC3)cc2)cc1S(=O)(=O)N1CCN(C)CC1,WNHXZWYHNFGRFX-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:4:187656:223179,CCN(C1CCCCC1)S(=O)(=O)c1cc(C)c(-c2ccc(F)c(C(=O)NOC)c2)cc1C,CQRFLXJWKJQSMH-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:4:187658:226035,CCN(C1CCCCC1)S(=O)(=O)c1cc(-c2c(OC)ccc(C(F)(F)F)c2F)c(C)cc1C,WUJNYYSHSOSBNZ-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:4:187659:226140,COc1ccc(C(C)(C)C)cc1-c1ccc(C2(C)CCN(C(=O)OC(C)(C)C)CC2)cc1,DJTJXRQGWLSNMH-UHFFFAOYSA-N
-rxn:4:187660:222810,Cc1ccc(-c2cc(NC(=O)OC(C)(C)C)ncc2Cl)c(C2CCCN(C(=O)OC(C)(C)C)C2)c1,IJZGFUVQDDROJA-UHFFFAOYSA-N
-rxn:4:187661:223179,CONC(=O)c1cc(-c2cccc(C3CCN(C(=O)OC(C)(C)C)CC3)c2C)ccc1F,REJGJXXWXAPNOU-UHFFFAOYSA-N
-rxn:4:187663:223594,Cc1cc(-c2cc(Cl)cc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)ccc1C1CCCN(C(=O)OC(C)(C)C)C1,LUXVYRWLOHCCBF-UHFFFAOYSA-N
-rxn:4:187663:224624,Cc1cc(-c2cc(Cl)ccc2C(=O)OCC(C)(C)C)ccc1C1CCCN(C(=O)OC(C)(C)C)C1,HSNPTJXLPNPWOI-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:4:187665:223179,CONC(=O)c1cc(-c2cccc(C3CCN(C(=O)OC(C)(C)C)CC3C)c2)ccc1F,LXYIFNJFZBABIX-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:4:187668:223179,CONC(=O)c1cc(-c2ccc(C3CCN(C(=O)OC(C)(C)C)CC3C)cc2)ccc1F,FEBFBQJVYSTRFX-UHFFFAOYSA-N
-rxn:4:187669:224863,CC(C)N(Cc1ccccc1-c1ccc(C2(C)CCCN(C(=O)OC(C)(C)C)C2)cc1)C(C)C,YWGDJPQUEACIEY-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:4:187671:223179,CONC(=O)c1cc(-c2cc(CN3CCC(C(F)(F)F)CC3)cc(C(C)(C)C)c2)ccc1F,ODUQPQQTQFDJBA-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:4:187680:226844,O=C(c1ccccc1-c1ccnc(C(=O)C(F)(F)F)c1)N(C1CCCCC1)C1CCCCC1,SVUVYWLJOXCNPT-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:4:187847:225113,CC(C)(C)OOC(=O)c1cccc(-c2cc3c(cc2C(F)F)N(C(=O)OC(C)(C)C)CC3)c1,OXTJEMDESLEROE-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:4:187917:223179,CONC(=O)c1cc(-c2ccc(OC)cc2C(=O)N2C3CCC2CC(SC)C3)ccc1F,NYIRDQQHVKITCF-UHFFFAOYSA-N
-rxn:4:187918:223176,COc1cc(-c2cccc(CNS(C)(=O)=O)c2)cc2c1OCCN(C(=O)OC(C)(C)C)C2,WBXVMXONQQUNBC-UHFFFAOYSA-N
-rxn:4:187942:223818,CC(C)(C)OC(=O)n1ccc2c(-c3cccc4c3cc([Si](C)(C)C)n4C(=O)OC(C)(C)C)c(F)cc(F)c21,PICARVANXVXRMT-UHFFFAOYSA-N
-rxn:4:187973:224805,CCOC(=O)c1cc(-c2ccccc2C(=O)N2C3CCC2CC(S(=O)(=O)c2ccccc2)C3)cc(C(F)(F)F)c1,KYMGVNRPMBTYFS-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:4:188014:223179,CONC(=O)c1cc(-c2ccc(C(=O)Oc3ccccc3N3C(=O)C4C5CCC(C5)C4C3=O)cc2)ccc1F,JVQWDJKZQWWGLH-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:4:188465:223786,COC(=O)c1cc([N+](=O)[O-])cc(-c2ccc(OCCCN3CCN(C)CC3)c(Cl)c2)c1F,SMUVOQYQLFBISP-UHFFFAOYSA-N
-rxn:4:188893:223697,COC(=O)c1cc(C)c(-c2ccc(S(=O)(=O)N3CCCCC3)cc2C(F)(F)F)cc1[N+](=O)[O-],FXSANZOMYNDYQO-UHFFFAOYSA-N
-rxn:4:189145:223583,COC(=O)c1ccc2c(-c3ccc(C(F)(F)F)cc3C(=O)N(C)C)cn(C(=O)OC(C)(C)C)c2c1,WTMPJVODNPTNEJ-UHFFFAOYSA-N
-rxn:4:189384:224835,CN(C)S(=O)(=O)n1nc(C(F)(F)F)cc1-c1cc(C(=O)N2CCC2)cc(C(F)(F)F)c1,WABHPBQJLLJZQR-UHFFFAOYSA-N
-rxn:4:189507:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3cc(C(F)(F)F)cc(S(=O)(=O)N4CCC4)c3)c2)CC1,IACHLAYYOLZNCS-UHFFFAOYSA-N
-rxn:4:189552:223998,COC(=O)c1cnc(C2CCOC2)cc1-c1ccc(S(=O)(=O)N2CCC(C)CC2)c(F)c1,VYNMWKONVJJNRT-UHFFFAOYSA-N
-rxn:4:189922:223597,COC(=O)c1cnc(C2CCOCC2)cc1-c1ccc(OCCN2CCC3(CC2)OCCO3)c(Cl)c1,ZXMXXBPKMHIASH-UHFFFAOYSA-N
-rxn:4:189922:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3cc(C4CCOCC4)ncc3C(=O)OC)c2)CC1,UEWCRBKVLDGPKB-UHFFFAOYSA-N
-rxn:4:189922:223979,COC(=O)c1cnc(C2CCOCC2)cc1-c1cc(C(=O)N2CCCCC2)cc([N+](=O)[O-])c1,AYDJMJRSYNTEDI-UHFFFAOYSA-N
-rxn:4:189931:224080,COC(=O)c1ccc(N2CCOCC2)cc1-c1ccc(OCCCN2CCCCC2)cc1,WQQKKTVYEIKSJO-UHFFFAOYSA-N
-rxn:4:189931:224089,COC(=O)c1ccc(N2CCOCC2)cc1-c1ccc(OCCN2CCC(C)CC2)cc1,RABFVKRBWGAMCM-UHFFFAOYSA-N
-rxn:4:189973:224394,Cc1ccc(-c2cc(C(F)(F)F)cc(S(=O)(=O)N3CCOCC3)c2)cc1S(=O)(=O)N1CCOCC1,NHIKBIGDSWIDJX-UHFFFAOYSA-N
-rxn:4:190007:223641,CCc1cc2c(cc1F)cc(-c1ccc(CC(=O)N3CCCCC3)c(F)c1)n2C(=O)OC(C)(C)C,ZTTRRRFBRFXJHT-UHFFFAOYSA-N
-rxn:4:190015:224818,COc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1ccc(S(=O)(=O)N2CCSCC2)cc1,MLAXAHLGXGROOJ-UHFFFAOYSA-N
-rxn:4:190020:222461,CN(C(=O)c1ccc(-c2c(F)cc(F)c3sc(NC(=O)OC(C)(C)C)nc23)cc1)C1CCS(=O)(=O)C1,STWXCAAYRUEAAI-UHFFFAOYSA-N
-rxn:4:190116:223489,CCc1cc(-c2ccc(S(=O)(=O)N3CCC(O[Si](C)(C)C(C)(C)C)CC3)cc2)ccc1S(=O)(=O)N1CCCC1,CJCKIINNZBYRJK-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:4:190173:225757,COC(=O)c1cc(-c2cc(S(=O)(=O)N3CCC(C(F)(F)F)CC3)c(F)cc2F)cc(C(C)C)n1,MWJTWJVBZBFGRL-UHFFFAOYSA-N
-rxn:4:190173:227655,CN(C)c1cc(-c2cc(S(=O)(=O)N3CCC(C(F)(F)F)CC3)c(F)cc2F)cc(F)c1F,QETORTSFCVSRLV-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:4:190213:222754,COc1ccc(C(=O)NC(C)(C)C)c(-c2cc(S(=O)(=O)N3CCCCC3)ccc2OC)c1,ZCXWQBXJBNPRDD-UHFFFAOYSA-N
-rxn:4:190214:222700,COc1cc(S(=O)(=O)N2CCCCC2)ccc1-c1ccc(C(F)(F)F)cc1C1CCCNC1,URAFJIBEVQSSFM-UHFFFAOYSA-N
-rxn:4:190214:224393,COc1cc(S(=O)(=O)N2CCCCC2)ccc1-c1cc(C(F)(F)F)ccc1N1CCOCC1,POFLAYVETDRCGK-UHFFFAOYSA-N
-rxn:4:190228:222817,COc1ccc(S(=O)(=O)NC2CC2)cc1-c1ccc(C2CCCN2S(=O)(=O)C2CC2)cc1,TWSICEPJVNGNRM-UHFFFAOYSA-N
-rxn:4:190253:224485,CC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2ccc(C(=O)N(C)C3CCCCC3)cc2)c1,XGLIFIITKJZMGI-UHFFFAOYSA-N
-rxn:4:190276:222520,CN(C(=O)c1ccc(-c2ccc(C(F)(F)F)c(NC(=O)OC(C)(C)C)c2)cc1)C1(C)CCS(=O)(=O)C1,UKHYINZNLZNALW-UHFFFAOYSA-N
-rxn:4:190287:224369,CCN(CC)S(=O)(=O)c1cc(-c2ccc(C3CCN(C(C)=O)CC3)c(C(F)(F)F)c2)c(F)cc1C,WYUZSCZKNHBZPW-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:4:190307:224291,CC1CCN(CCc2cc(-c3ccc(OCCN4CCOCC4)c(F)c3)ccc2Cl)CC1,UTXOTQYZXWYHRP-UHFFFAOYSA-N
-rxn:4:190320:224715,CCCCOc1cc(C(F)(F)F)ccc1-c1ccc(OC)cc1C(=O)N1CCCCC1C,HVOICHICKDBWLG-UHFFFAOYSA-N
-rxn:4:190331:222651,COc1ccc(C(=O)N2CCCCC2C)c(-c2cc(C(=O)NC3CCCCC3)ccc2F)c1,VYSZPOLMBLGWDG-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:4:190380:222612,COc1cc(S(=O)(=O)N2CCCCCC2)ccc1-c1cc(S(=O)(=O)N2CCC(O)CC2)ccc1F,INKOHCHTFJUFNV-UHFFFAOYSA-N
-rxn:4:190411:224286,Cc1cc(CC(=O)N2CCC(C)CC2)ccc1-c1ccc(OCCN2CCOCC2)c(Cl)c1,GAEOXFXTXQUFGU-UHFFFAOYSA-N
-rxn:4:190451:223179,CONC(=O)c1cc(-c2cc(S(=O)(=O)N3CCC4(CC3)OCCO4)ccc2OC)ccc1F,QXBTWTDEBYRRSH-UHFFFAOYSA-N
-rxn:4:190451:226437,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1cc(C2CCCC2)ncc1F,VIHDBYOHGKKWDM-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:4:190498:226844,Cc1cc(S(=O)(=O)N2CCCCCC2)c(C(C)C)cc1-c1ccnc(C(=O)C(F)(F)F)c1,VHWLVTGJAGNJRK-UHFFFAOYSA-N
-rxn:4:190823:223532,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)cc(-c3ccc4c(c3)CN(C(=O)OC(C)(C)C)C4=O)c2)CC1,UIWWRBFSGVYFHA-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:4:190823:224716,CN(C(=O)OC(C)(C)C)c1ccc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)C3=O)cn1,CNLONKOCRSSXLR-UHFFFAOYSA-N
-rxn:4:190826:222809,CC(C)(C)OC(=O)Nc1cnc(Cl)cc1-c1ccc2c(c1)C(=O)N(C(=O)OC(C)(C)C)C2,KNIFOIBKQBEWTH-UHFFFAOYSA-N
-rxn:4:190827:224484,CC(C)N(C(=O)c1ccccc1-c1cccc2c1CN(C(=O)OC(C)(C)C)C2=O)C(C)C,MHBSRLHCGKBPQM-UHFFFAOYSA-N
-rxn:4:190829:223570,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc4c(c3)CC(=O)N4C(=O)OC(C)(C)C)c(F)ncc21,OIGVKOSPLYOOQQ-UHFFFAOYSA-N
-rxn:4:190833:223573,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc(Cl)c4c3C(=O)N(C(=O)OC(C)(C)C)C4)cc2)CC1,NEGTYHMLFKAJKK-UHFFFAOYSA-N
-rxn:4:190847:223842,CC1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2csc3c2CN(C(=O)OC(C)(C)C)CC3)CC1,DTTSOCRZBSOGED-UHFFFAOYSA-N
-rxn:4:190865:222823,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc3c(c2)C(=O)C(=O)N3CC(=O)C(C)(C)C)c(F)c1,NHGQTXPMMLESGS-UHFFFAOYSA-N
-rxn:4:190896:222602,Cc1cc2c(-c3cc(CC(C)C)sc3S(=O)(=O)NC(C)(C)C)cccc2n1C(=O)OC(C)(C)C,WOVUNHHBBDSOJG-UHFFFAOYSA-N
-rxn:4:190954:223649,CC(C)(C)OC(=O)N1CCN(c2cccc(-c3ccc4c(c3)CCCN4C(=O)OC(C)(C)C)c2)CC1,MJAXMVFBOCRELP-UHFFFAOYSA-N
-rxn:4:190972:223134,CS(=O)(=O)C1CC2CCC(C1)N2C(=O)c1ccc(-c2cnccc2C2CCCNC2)o1,ABOLXRJDURYORM-UHFFFAOYSA-N
-rxn:4:190972:223179,CONC(=O)c1cc(-c2ccc(C(=O)N3C4CCC3CC(S(C)(=O)=O)C4)o2)ccc1F,LXDZSDTXXULRHK-UHFFFAOYSA-N
-rxn:4:190978:225344,CC(C)Oc1ncc(C(F)(F)F)cc1-c1ccc2c(c1)N(C(=O)OC(C)(C)C)CCS2(=O)=O,GNSVRFWLMDMVJT-UHFFFAOYSA-N
-rxn:4:191039:222912,CC(C)CNS(=O)(=O)c1ccc(-c2ccc3c(c2)C(C)(C)CN3C(=O)OC(C)(C)C)cc1,ZCMYSFDBTUJFNS-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:4:191042:226848,COc1ccc(-c2ccc3c(c2)C(=O)C2(C3)CN(C(=O)OC(C)(C)C)C2)c(C(F)(F)F)n1,WGEOIJWUEVBPSV-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:4:191055:225561,CC(C)(C)OC(=O)c1ccccc1-c1ccc2c(c1)C1(CC1)CN(C(=O)OC(C)(C)C)C2,NYABNLVYGXOWHA-UHFFFAOYSA-N
-rxn:4:191062:227801,CS(=O)(=O)C1CC2CCC(C1)N2S(=O)(=O)c1ccccc1-c1c(C(F)(F)F)ccnc1F,KUHZTVGBPAOSJL-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:4:191072:223179,CONC(=O)c1cc(-c2cc3c(s2)C2(CCN(C(=O)OC(C)(C)C)CC2)OC3)ccc1F,KXAVHBKTXJELBU-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:4:191090:224716,CN(C(=O)OC(C)(C)C)c1ccc(-c2cccc3c2C(C)(C)CN(C(=O)OC(C)(C)C)C3)cn1,BVYOCSMSMATLEC-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:4:191099:222426,CC(C)(C)OC(=O)N1CCC2(CC1)Oc1ccc(-c3ccc4c(c3)C3(CCN(C(=O)OC(C)(C)C)CC3)C(=O)N4)cc1C2=O,BEYKVYYCTGVDAJ-UHFFFAOYSA-N
-rxn:4:191099:223588,Cc1cc(-c2ccc3c(c2)C(=O)C2(CCN(C(=O)OC(C)(C)C)CC2)O3)cnc1N1CCN(C(=O)OC(C)(C)C)CC1,UGWSCKNNQRNLAF-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:4:191100:223279,CC(C)(C)OC(=O)N1C(=O)C2(CCOCC2)c2ccc(-c3cnc(C4CCCN4)nc3)cc21,PWDBQLDTGUGHET-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
-rxn:4:191103:223279,CC(C)(C)OC(=O)N1CCC2(C=Cc3ccc(-c4cnc(C5CCCN5)nc4)cc32)CC1,AMVDCNXBLKIZDD-UHFFFAOYSA-N
-rxn:4:191106:223279,CC(C)(C)OC(=O)N1CC2(CCOCC2)c2cc(-c3cnc(C4CCCN4)nc3)ccc21,WAKCRTIYHKWYHW-UHFFFAOYSA-N
-rxn:4:191115:223279,CC(C)(C)OC(=O)N1CCC2(CC1)OCc1cc(-c3cnc(C4CCCN4)nc3)ccc1O2,ADMJRINKPNOPRM-UHFFFAOYSA-N
-rxn:4:191117:224484,CC(C)N(C(=O)c1ccccc1-c1cccc2c1C1(CCN(C(=O)OC(C)(C)C)CC1)CC2=O)C(C)C,HDABUJCIAZKGOD-UHFFFAOYSA-N
-rxn:4:191118:223938,CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)c1ccc(-c3cc4cc(Cl)ccc4n3C(=O)OC(C)(C)C)cc12,QACATIHTEPCEIY-UHFFFAOYSA-N
-rxn:4:191118:225568,COC(=O)C(C)(C)c1ccc(-c2ccc3c(c2)C2(CCN(C(=O)OC(C)(C)C)CC2)CC3=O)cc1,XALNFUMTIWAZIW-UHFFFAOYSA-N
-rxn:4:191119:225218,CC1CCCN(c2ncc(-c3ccc4c(c3)C(=O)C3(CCN(C(=O)OC(C)(C)C)CC3)C4)cc2Cl)C1,AFVIJNALYBBPRP-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:4:191121:226844,CC(C)(C)OC(=O)N1CCC2(CC1)Cc1ccc(-c3ccnc(C(=O)C(F)(F)F)c3)c(F)c1C2=O,AYIDQGZMUQHOJD-UHFFFAOYSA-N
-rxn:4:191124:223279,CC(C)(C)OC(=O)N1CCC2(CCc3ccc(-c4cnc(C5CCCN5)nc4)cc32)CC1,NXBCEMFACACVHS-UHFFFAOYSA-N
-rxn:4:191124:227228,CC(C)COc1ccc(-c2ccc3c(c2)C2(CC3)CCN(C(=O)OC(C)(C)C)CC2)cn1,LJJJHRGPPVFGSI-UHFFFAOYSA-N
-rxn:4:191126:224624,CC(C)(C)COC(=O)c1ccc(Cl)cc1-c1ccc2c(c1)C(=O)CC1(CCN(C(=O)OC(C)(C)C)CC1)O2,QVQWWUUEUAZTKE-UHFFFAOYSA-N
-rxn:4:191126:226844,CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)c1cc(-c3ccnc(C(=O)C(F)(F)F)c3)ccc1O2,MFZRKRYNZLSMKI-UHFFFAOYSA-N
-rxn:4:191129:223179,CONC(=O)c1cc(-c2ccc3c(c2)CCC2(CCN(C(=O)OC(C)(C)C)CC2)O3)ccc1F,TVYKXMSCNXRVIS-UHFFFAOYSA-N
-rxn:4:191129:227991,CC(C)(C)OC(=O)N1CCC2(CCc3cc(-c4ccc(Cl)cc4C4CC4)ccc3O2)CC1,NVGBVZUDMMRYPY-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:4:191173:226783,COc1cc(F)c(F)c(OC)c1-c1cccc(C(=O)Oc2cc3c4c(c2)C(C)=CC(C)(C)N4C(=O)C3=O)c1,VYEYVXSIQHYROZ-UHFFFAOYSA-N
-rxn:4:191173:226844,CC1=CC(C)(C)N2C(=O)C(=O)c3cc(OC(=O)c4cccc(-c5ccnc(C(=O)C(F)(F)F)c5)c4)cc1c32,RGJVCVLLQCJPEB-UHFFFAOYSA-N
-rxn:4:191194:222754,COc1ccc(C(=O)NC(C)(C)C)c(-c2ccc3c4c(cccc24)C(=O)N(c2c(C(C)C)cccc2C(C)C)C3=O)c1,UFLUNXHQSWCEPC-UHFFFAOYSA-N
-rxn:4:191194:223572,CC1CCN(S(=O)(=O)c2ccc(-c3ccc4c5c(cccc35)C(=O)N(c3c(C(C)C)cccc3C(C)C)C4=O)c3ccccc23)CC1,PGHNMWCACIEPIP-UHFFFAOYSA-N
-rxn:4:191195:228444,CC1C(=O)C(C)(C)N(C(=O)OC(C)(C)C)c2c1cc(-c1ccc(Cl)c(C(F)F)c1)c1c2CCC1,QERSTDWMSMXPPW-UHFFFAOYSA-N
-rxn:4:191195:228921,CC1C(=O)C(C)(C)N(C(=O)OC(C)(C)C)c2c1cc(-c1ccc(C(F)F)nc1)c1c2CCC1,NCMNOCYMHCQWSY-UHFFFAOYSA-N
-rxn:4:191195:229169,CC1C(=O)C(C)(C)N(C(=O)OC(C)(C)C)c2c1cc(-c1cscc1C(F)F)c1c2CCC1,BSNLXPZZHLOMSS-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:4:191641:223536,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cnc(F)c(C(F)(F)C(F)(F)F)c3)cc(F)c2F)CC1,OHLBKKODWWPTCJ-UHFFFAOYSA-N
-rxn:4:191641:223593,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(F)c(C(F)(F)C(F)(F)F)c3)cc2Cl)CC1,DDFZMWQMIKNDOV-UHFFFAOYSA-N
-rxn:4:193317:223669,COc1ccc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2)cc1N1CCCC1,CCVOEGNRDHQVDC-UHFFFAOYSA-N
-rxn:4:193357:223699,O=S(=O)(c1cccc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2C(F)(F)F)c1)N1CCOCC1,NUCJZXCBWBRGSL-UHFFFAOYSA-N
-rxn:4:193518:222694,CC1=CC(=O)C=CC1=NS(=O)(=O)c1ccc(-c2cccc(S(=O)(=O)NC3CCCCC3)c2)cc1,NQFWJGHAWQIUDI-UHFFFAOYSA-N
-rxn:4:193518:224868,CC1=CC(=O)C=CC1=NS(=O)(=O)c1ccc(-c2cccc(OCC3CCCCC3)c2)cc1,DZNLZFMAMOJZBN-UHFFFAOYSA-N
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-rxn:4:199577:224171,CN1CCN(C(=O)COc2ccc(OC(F)(F)F)cc2-c2ccc(OCCCN3CCCC3)c(F)c2)CC1,STKWRJOVMMPFIE-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
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-rxn:4:199654:223179,CCOC(=O)N1CCN(S(=O)(=O)c2cc(-c3ccc(F)c(C(=O)NOC)c3)ccc2OC)CC1,WGJAUJHWTWTLOE-UHFFFAOYSA-N
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-rxn:4:199673:223179,CONC(=O)c1cc(-c2ccc(OC)c(CCC(=O)N3CC(N4C(=O)CCC4=O)C3)c2)ccc1F,LIRLFCVOQPJGDX-UHFFFAOYSA-N
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-rxn:4:199687:225727,CCOC(=O)c1ccc(OC)c(-c2cccnc2OC2CCN(C(=O)c3ccc(OC(F)(F)F)cc3)CC2)c1,RYNKWBAANRWCNR-UHFFFAOYSA-N
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-rxn:4:199691:223279,CCCOc1cc(S(=O)(=O)N2CCN(C(C)=O)CC2)ccc1-c1cnc(C2CCCN2)nc1,MRLSJXMQMILCSA-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:4:199692:223530,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3cc(F)ccc3CN3CCN(C(=O)OC(C)(C)C)CC3)cc2C#N)CC1,SYXYHMPOWRPJSH-UHFFFAOYSA-N
-rxn:4:199706:223179,CONC(=O)c1cc(-c2cccc(F)c2OCCCN2CCN(C(C)C)CC2)ccc1F,BOEZIVLMLKBPRV-UHFFFAOYSA-N
-rxn:4:199707:225312,CN1CCCN(c2ncc(-c3cccc(SCC4CCCN(C(=O)OC(C)(C)C)C4)n3)cn2)CC1,QEMZBIWNNBNMGP-UHFFFAOYSA-N
-rxn:4:199707:226844,CC(C)(C)OC(=O)N1CCCC(CSc2cccc(-c3ccnc(C(=O)C(F)(F)F)c3)n2)C1,GYGGUWIVBFSSOA-UHFFFAOYSA-N
-rxn:4:199708:223279,CC(C)(C)OC(=O)N1CCCC(COc2cccc(-c3cnc(C4CCCN4)nc3)n2)C1,TUKXTRGOSLFALN-UHFFFAOYSA-N
-rxn:4:199708:226844,CC(C)(C)OC(=O)N1CCCC(COc2cccc(-c3ccnc(C(=O)C(F)(F)F)c3)n2)C1,ABXPFWKSXIEZNI-UHFFFAOYSA-N
-rxn:4:199710:223179,CONC(=O)c1cc(-c2ccc(COC3CCN(C(=O)OC(C)(C)C)CC3)cn2)ccc1F,LSZWAIGDYNOMMP-UHFFFAOYSA-N
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-rxn:4:199712:226844,CCCCOc1cc(S(=O)(=O)N2CCN(C)CC2)ccc1-c1ccnc(C(=O)C(F)(F)F)c1,DFSGEHVKWQDUMD-UHFFFAOYSA-N
-rxn:4:199713:223179,CCCOc1cc(S(=O)(=O)N2CCN(CC)CC2)ccc1-c1ccc(F)c(C(=O)NOC)c1,ZSFNTJWZUPXECY-UHFFFAOYSA-N
-rxn:4:199713:226864,CCCOc1cc(S(=O)(=O)N2CCN(CC)CC2)ccc1-c1cc(F)c(OC(F)F)c(F)c1,KOKOVYFLTICXNP-UHFFFAOYSA-N
-rxn:4:199714:225653,CC1CCCCN1c1ccc(-c2ccc(OCC3CCN(C(=O)OC(C)(C)C)CC3)nc2)cn1,XHGWOHIUXLUGIB-UHFFFAOYSA-N
-rxn:4:199717:223179,CONC(=O)c1cc(-c2ccc(CON3CCN(C(=O)OC(C)(C)C)CC3)cc2F)ccc1F,HSJIGDQOOPHWEQ-UHFFFAOYSA-N
-rxn:4:199717:223507,CC(C)(C)OC(=O)N1CCN(OCc2ccc(-c3ccccc3S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c(F)c2)CC1,WRSPZYUUUSRUGK-UHFFFAOYSA-N
-rxn:4:199723:224810,CCOC(=O)c1cc(-c2cnc(N3CCCC3)c(C(F)(F)F)c2)cnc1C1CCN(Cc2ccccc2)C1,WKCBFFVMLRYPNI-UHFFFAOYSA-N
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-rxn:4:199739:223179,CONC(=O)c1cc(-c2ccc(C(=O)CN3CCN(C(=O)OC(C)(C)C)CC3)cc2)ccc1F,YUKJPPLHKWCYHQ-UHFFFAOYSA-N
-rxn:4:199743:223279,CC(C)(C)OC(=O)N1CCN(C(=O)Cc2ccc(F)cc2-c2cnc(C3CCCN3)nc2)CC1,ODOAMAHORGHKNZ-UHFFFAOYSA-N
-rxn:4:199743:223438,CC(C)(C)OC(=O)N1CCN(C(=O)Cc2ccc(F)cc2-c2cn[nH]c2C(F)(F)F)CC1,SCEPJDVDVBOIKC-UHFFFAOYSA-N
-rxn:4:199750:222545,CC(C)(C)OC(=O)NC(C)(C)c1ccc(-c2cccc(C(=O)Oc3ccccc3C(=O)c3cnn(C(C)(C)C)c3)c2)cc1,TVDIRSORLQOQAB-UHFFFAOYSA-N
-rxn:4:199757:223279,CN(Cc1ccc(-c2cnc(C3CCCN3)nc2)cc1N1CCCC1)C(=O)OC(C)(C)C,VOVGZOAHXMNDOK-UHFFFAOYSA-N
-rxn:4:199758:223179,CONC(=O)c1cc(-c2ccc(N3CCN(C(=O)OCC[Si](C)(C)C)CC3)cc2)ccc1F,ZWGONCBJTBBLAZ-UHFFFAOYSA-N
-rxn:4:199759:222684,C[Si](C)(C)CCOC(=O)N1CCN(c2cccc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)c2)CC1,YSIYDEPBSHKWJE-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:4:199760:222854,COc1ccc(C2CCCNC2)cc1-c1ccccc1N1CCN(C(=O)OCC[Si](C)(C)C)CC1,SCEKFSWWZHRZFS-UHFFFAOYSA-N
-rxn:4:199760:223179,CONC(=O)c1cc(-c2ccccc2N2CCN(C(=O)OCC[Si](C)(C)C)CC2)ccc1F,FKZMKEMXNBJOJV-UHFFFAOYSA-N
-rxn:4:199761:226844,CC(C)(C)OC(=O)N1CCN(CCc2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2)CC1,GMVOVFNCJWULGF-UHFFFAOYSA-N
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-rxn:4:199763:223179,CONC(=O)c1cc(-c2cc(CCN3CCN(C(=O)OC(C)(C)C)CC3)ccc2F)ccc1F,MEPQPJJEWGHPLT-UHFFFAOYSA-N
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-rxn:4:199764:224653,COC(=O)c1cc(-c2ccc(Cl)cc2OCC2CCCCO2)cc(N2CCN(C(=O)OC(C)(C)C)CC2)c1,NPDQIAXXIUNSCL-UHFFFAOYSA-N
-rxn:4:199764:226844,COC(=O)c1cc(-c2ccnc(C(=O)C(F)(F)F)c2)cc(N2CCN(C(=O)OC(C)(C)C)CC2)c1,QTEHDMNXBCVYDD-UHFFFAOYSA-N
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-rxn:4:199768:223179,CONC(=O)c1cc(-c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)ccc2C(=O)OC)ccc1F,DCJXSAHMOIDVKG-UHFFFAOYSA-N
-rxn:4:199768:226844,COC(=O)c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccnc(C(=O)C(F)(F)F)c1,SZDJXNHGNAXCKC-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:4:199770:224829,COC(=O)c1ccc(-c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)c(F)cc2C(=O)OC)cc1OC(F)(F)F,JSVZARPQVIAVOS-UHFFFAOYSA-N
-rxn:4:199770:226844,COC(=O)c1cc(F)c(N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccnc(C(=O)C(F)(F)F)c1,UQUUDJLRWKBJIH-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:4:199772:226844,COc1ccc(CCC(=O)N2CCC(N3C(=O)CSC3=O)CC2)cc1-c1ccnc(C(=O)C(F)(F)F)c1,SVEBGYGVYNIXHD-UHFFFAOYSA-N
-rxn:4:199778:223279,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cc(-c3cnc(C4CCCN4)nc3)cc(C(F)(F)F)c2)CC1,YMNYCEUPEOJXBV-UHFFFAOYSA-N
-rxn:4:199784:226844,COc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)c(CN2CCN(C(=O)OC(C)(C)C)CC2)c1,WWKKNWLBNBUCKG-UHFFFAOYSA-N
-rxn:4:199785:223279,Cc1cc(OCC2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1cnc(C2CCCN2)nc1,AWPXCXGSWLDQQV-UHFFFAOYSA-N
-rxn:4:199785:226844,Cc1cc(OCC2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1ccnc(C(=O)C(F)(F)F)c1,OILNWCFLUWFGTR-UHFFFAOYSA-N
-rxn:4:199787:223179,CONC(=O)c1cc(-c2cc([N+](=O)[O-])c(C)cc2OC2CCN(C(=O)OC(C)(C)C)CC2)ccc1F,VDJKSYQTHLCUKW-UHFFFAOYSA-N
-rxn:4:199790:224770,COc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1cc(C)cc(S(=O)(=O)N2CCCC2)c1,UVJGKMOSHVHQBT-UHFFFAOYSA-N
-rxn:4:199790:227485,COc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccccc1OCC(F)F,PCDYZFBYKMNCLF-UHFFFAOYSA-N
-rxn:4:199791:225899,COc1ccc(-c2cc(C)nn2C(=O)OC(C)(C)C)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,MNZNLJAHIDWCLF-UHFFFAOYSA-N
-rxn:4:199796:223896,COc1cccc(-c2ccc(Cl)c(C(=O)Oc3c(Sc4ccccc4)c(C)nn3C(C)(C)C)c2)c1C(=O)N(C(C)C)C(C)C,APDNUBPUNNXZPP-UHFFFAOYSA-N
-rxn:4:199801:226844,CN(C)S(=O)(=O)c1ccc(C(=O)N(c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2)C2C=CS(=O)(=O)C2)cc1,AJNVMWHLRFHCCH-UHFFFAOYSA-N
-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:4:199811:226844,CC1CN(C(=O)Cc2cc(F)ccc2-c2ccnc(C(=O)C(F)(F)F)c2)CCN1C(=O)OC(C)(C)C,YINZXFUSJWSAKN-UHFFFAOYSA-N
-rxn:4:199816:222891,CCOc1cc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)ccc1-c1cc(OC)nc(C2CCNCC2)c1,WKKTXRZELABVTI-UHFFFAOYSA-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:4:199821:223179,CCOc1ccc(N=C2SC(=Cc3ccc(OC)c(-c4ccc(F)c(C(=O)NOC)c4)c3)C(=O)N2CC)cc1,UZKYIKWBSFDRDY-UHFFFAOYSA-N
-rxn:4:199825:223279,CN(Cc1ccc(-c2cnc(C3CCCN3)nc2)cc1N1CCCCC1)C(=O)OC(C)(C)C,HQIVDQQNNUDDOB-UHFFFAOYSA-N
-rxn:4:199826:223279,CC1CN(CCc2ccc(-c3cnc(C4CCCN4)nc3)cc2)CCN1C(=O)OC(C)(C)C,XZUUMJDQJPQFRL-UHFFFAOYSA-N
-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:4:199827:223179,CONC(=O)c1cc(-c2ccc(CCN3CCN(C(=O)OC(C)(C)C)CC3C)cc2)ccc1F,IUVNQJACMWASTL-UHFFFAOYSA-N
-rxn:4:199828:222499,Cc1ccc(S(=O)(=O)NCc2ccccc2)cc1-c1cccc(Cl)c1CN(C)C1CCN(C(=O)OC(C)(C)C)CC1,KGTLGOHOUNFBML-UHFFFAOYSA-N
-rxn:4:199828:223889,CN(Cc1c(Cl)cccc1-c1cccc2c1CN(C(=O)OC(C)(C)C)CC2)C1CCN(C(=O)OC(C)(C)C)CC1,GCTUIGBYNAVTLE-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
-rxn:4:199830:223279,CC1CN(C(=O)OC(C)(C)C)CCN1CCc1cc(-c2cnc(C3CCCN3)nc2)ccc1Cl,AFTZCYMQWOECQV-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:4:199831:226844,C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1CCc1cc(-c2ccnc(C(=O)C(F)(F)F)c2)ccc1F,QKVMCNYGEGBEEU-MRXNPFEDSA-N
-rxn:4:199832:226844,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:4:199834:223279,CC1CN(CCc2ccc(F)c(-c3cnc(C4CCCN4)nc3)c2)CCN1C(=O)OC(C)(C)C,BXUGHJQWXALLAN-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:4:199839:226844,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:4:199840:223279,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:4:199841:223279,CC1CN(Cc2cc(C(F)(F)F)ccc2-c2cnc(C3CCCN3)nc2)CCN1C(=O)OC(C)(C)C,VHHBXQWMPYKNIE-UHFFFAOYSA-N
-rxn:4:199841:225020,COc1cccc(-c2cncc(-c3ccc(C(F)(F)F)cc3CN3CCN(C(=O)OC(C)(C)C)C(C)C3)c2)c1,HMTSIBFLGJAAPB-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
-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:4:199844:223179,CONC(=O)c1cc(-c2ccccc2C(=O)N(Cc2ccc(N(C)C)cc2)C2CCS(=O)(=O)C2)ccc1F,RTUOCQCOENXSRA-UHFFFAOYSA-N
-rxn:4:199848:223179,CCOc1cc(S(=O)(=O)N2CCN(c3ccccc3OC)CC2)ccc1-c1ccc(F)c(C(=O)NOC)c1,MUPAXKZEEKQTCD-UHFFFAOYSA-N
-rxn:4:199851:223179,CONC(=O)c1cc(-c2ccc(-c3ccc(C=C4SC(=S)N(CCCN5CCOCC5)C4=O)o3)cc2)ccc1F,QACYYYHZTRJRCV-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:4:199854:223179,CONC(=O)c1cc(-c2ccccc2CCC(=O)N2CCC(N3CCC(OC)C3)CC2)ccc1F,CORRFOVZLZFLTJ-UHFFFAOYSA-N
-rxn:4:199854:226844,COC1CCN(C2CCN(C(=O)CCc3ccccc3-c3ccnc(C(=O)C(F)(F)F)c3)CC2)C1,QWYAALUSGMVSRT-UHFFFAOYSA-N
-rxn:4:199855:223279,COc1cc(S(=O)(=O)N2CCN(c3ccccc3OC)CC2)c(OC)cc1-c1cnc(C2CCCN2)nc1,RQXQNDTUMNRKHJ-UHFFFAOYSA-N
-rxn:4:199862:223179,CCCOc1ccc(-c2ccc(F)c(C(=O)NOC)c2)cc1S(=O)(=O)N1CCN(c2cccc(Cl)c2C)CC1,SQINDOWMZLHZTG-UHFFFAOYSA-N
-rxn:4:199863:223179,CCCOc1cc(S(=O)(=O)N2CCN(c3ccc(C)c(Cl)c3)CC2)ccc1-c1ccc(F)c(C(=O)NOC)c1,WGAXAHIQNJWALQ-UHFFFAOYSA-N
-rxn:4:199863:226844,CCCOc1cc(S(=O)(=O)N2CCN(c3ccc(C)c(Cl)c3)CC2)ccc1-c1ccnc(C(=O)C(F)(F)F)c1,HBYGURJRYAIQGI-UHFFFAOYSA-N
-rxn:4:199865:223279,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3cnc(C4CCCN4)nc3)cc2)[C@@H](c2ccc(Cl)cc2)C1,YSLOUQXFYMTVFP-FXDYGKIASA-N
-rxn:4:199865:223573,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc(C(=O)N4CCN(C(=O)OC(C)(C)C)C[C@@H]4c4ccc(Cl)cc4)cc3)cc2)CC1,CALWHFBGLVMFIH-MGBGTMOVSA-N
-rxn:4:199865:225286,CC(C)(C)OC(=O)c1cnc(F)cc1-c1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2c2ccc(Cl)cc2)cc1,XOXJHTUYGIMZOJ-AREMUKBSSA-N
-rxn:4:199868:223279,COc1cc(C(=O)N2C(=S)C(c3ccc(-c4cnc(C5CCCN5)nc4)cc3)=NC23CCCC3)cc(OC)c1OC,BXTSRNTWHWWZDT-UHFFFAOYSA-N
-rxn:4:199870:226844,CCCOc1cc(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)ccc1-c1ccnc(C(=O)C(F)(F)F)c1,IXACVHUSMIELTP-UHFFFAOYSA-N
-rxn:4:199873:226844,CC(C)(C)OC(=O)N1CCC(C(=O)N2CCCC2c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2)CC1,XEWGSHWSJNYTFL-UHFFFAOYSA-N
-rxn:4:199874:226844,CC(C)(C)OC(=O)N1CCCC(C(=O)N2CCCC2c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2)C1,GAIZQQUGOYCCBZ-UHFFFAOYSA-N
-rxn:4:199877:223179,CONC(=O)c1cc(-c2ccc(C3=NC4(CCCCC4)N(C(=O)c4cc(OC)c(OC)c(OC)c4)C3=S)cc2)ccc1F,LCEPFYOCIQJOSW-UHFFFAOYSA-N
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-rxn:4:199960:226844,CCOC(=O)C1CCN(C(=O)Cn2ccc3cc(-c4ccnc(C(=O)C(F)(F)F)c4)ccc32)CC1,BCHGVPFPGQNGFI-UHFFFAOYSA-N
-rxn:4:199964:226844,CCCN1C(=O)C(=C2SC(=S)N(CCCOC)C2=O)c2cc(-c3ccnc(C(=O)C(F)(F)F)c3)ccc21,ALMJIPDJAPHTOC-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:4:199967:223279,COCCOC(=O)C1=C(C)N=C2SC(C)C(=O)N2C1c1ccc(-c2cnc(C3CCCN3)nc2)cc1,AKEFLSREXXPJNX-UHFFFAOYSA-N
-rxn:4:199968:223796,COCCOC(=O)C1=C(C)N=C2SCCC(=O)N2C1c1ccccc1-c1cccc(COc2cccc(C(F)(F)F)c2)c1,ZGYFFPMKAFMEIZ-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:4:199999:227735,Cc1ncc(-c2ccc3c(=NC(=O)OC(C)(C)C)n(C(=O)OC(C)(C)C)ccc3c2)cc1C(F)(F)F,QTNWWQVJHXLXMD-UHFFFAOYSA-N
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-rxn:4:200018:223179,CCCCN1C(=O)C(=C2SC(=S)N(CCc3ccccc3)C2=O)c2cc(-c3ccc(F)c(C(=O)NOC)c3)ccc21,KJTWNABPHHSOHG-UHFFFAOYSA-N
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-rxn:4:200031:223279,CC(=O)N1CCc2cc(-c3cnc(C4CCCN4)nc3)cc(S(=O)(=O)CCC(=O)N3CCc4ccccc4C3)c21,MCIGQJWGXMMIBK-UHFFFAOYSA-N
-rxn:4:200032:223179,CCN1C(=O)C(=C2SC(=S)N(CCc3ccc(OC)c(OC)c3)C2=O)c2cc(-c3ccc(F)c(C(=O)NOC)c3)ccc21,HEEMPAIIXCTDMG-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:4:200048:223179,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:4:200063:223279,O=C(OCCN1C(=O)c2cccc3c(N4CCCCC4)ccc(c23)C1=O)c1ccccc1-c1cnc(C2CCCN2)nc1,SDVXRNWMGBUXEZ-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:4:200159:222637,CCOC(=O)c1nn(C)c(OC(F)F)c1-c1ccc(C(C)NC(=O)OC(C)(C)C)cc1,YBHNHIHCRACOLZ-UHFFFAOYSA-N
-rxn:4:200217:223768,CC(C)(C)OC(=O)C(C#N)c1ncc(-c2cn(C(=O)OC(C)(C)C)c3cc(C#N)ccc23)cc1F,MBJGKCHKLCKLTJ-UHFFFAOYSA-N
-rxn:4:200283:224588,CC1CCN(Cc2cc(F)cc(-c3cc([N+](=O)[O-])ccc3OCCN3CCC(F)(F)C3)c2)CC1,QWLDANCPYORJLE-UHFFFAOYSA-N
-rxn:4:200340:225575,COC(=O)c1ccc(-c2cc([N+](=O)[O-])ccc2OCCN2CCC(F)(F)CC2)cc1C1CC1,ISNALTPHISJFRR-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:4:200424:222742,COC(=O)CCN1CCN(c2ccc(-c3cc(C4CCNCC4)nc(C4CC4)c3)cc2)CC1,WBZVTAKYZWXWGF-UHFFFAOYSA-N
-rxn:4:200427:222612,COCCN1CCN(C(=O)c2ccc(-c3cc(S(=O)(=O)N4CCC(O)CC4)ccc3F)cc2)CC1,NUSQSBRGRHAXBL-UHFFFAOYSA-N
-rxn:4:200433:223841,CCOC(=O)N1CCN(S(=O)(=O)c2ccc(-c3cc(S(=O)(=O)N4CCN(C)CC4)c(C)cc3F)cc2)CC1,BVFKKAMQFVSABW-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:4:200441:226844,CCOC(=O)c1nc(N2CCC(C(F)(F)F)CC2)ccc1-c1ccnc(C(=O)C(F)(F)F)c1,SMMBECGFSIWVEW-UHFFFAOYSA-N
-rxn:4:200443:223179,CONC(=O)c1cc(-c2cc(C(=O)N3CCN(CC(F)(F)F)CC3)cc(Cl)c2OC)ccc1F,FBKLWQYBWSYZPG-UHFFFAOYSA-N
-rxn:4:200461:224589,CC1CCN(Cc2cc(F)ccc2-c2cccc(OCCCN3CCN(C)CC3)c2)CC1,VEWVWKQJODDWRZ-UHFFFAOYSA-N
-rxn:4:200472:224593,CC1CCN(CCOc2ccc([N+](=O)[O-])cc2-c2ccc(F)c(CN3CCC(C)CC3)c2)CC1,RTRSZJHLFURWHR-UHFFFAOYSA-N
-rxn:4:200473:225324,CC(C)CCn1cc(-c2cccc(O[C@@H]3CCN(C(=O)OC(C)(C)C)C3)n2)c(C(F)(F)F)n1,PYKAEXWIHUYQQK-MRXNPFEDSA-N
-rxn:4:200484:226844,CN1CCN(Cc2cccc(-c3ccnc(C(=O)C(F)(F)F)c3)c2OCC(F)(F)F)CC1,ULYJZRIQBUTLTG-UHFFFAOYSA-N
-rxn:4:200519:223179,CONC(=O)c1cc(-c2ccc(C(=O)N3CCC[C@H]3C(=O)OC(C)(C)C)nc2)ccc1F,NDTAHCSXSADTGS-IBGZPJMESA-N
-rxn:4:200559:223179,CONC(=O)c1cc(-c2coc(CN3CCN(C(=O)OC(C)(C)C)CC3)c2)ccc1F,PXDFGTUMQFQKRC-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:4:200568:223279,CCOc1ccc(-c2cnc(C3CCCN3)nc2)cc1S(=O)(=O)N1CCN(C(C)=O)CC1,JZUUXXJNBZICAU-UHFFFAOYSA-N
-rxn:4:200569:223279,O=C(OC1CCOCC1)N1CCC(Oc2ncccc2-c2cnc(C3CCCN3)nc2)C1,PDMSTRRULFTKMG-UHFFFAOYSA-N
-rxn:4:200575:225526,CCN(CC)C(=O)c1cccc(-c2ccc(C3CCN(C(=O)OC(C)(C)C)C3)nc2C(F)(F)F)c1,SBOPTVZINRQBKR-UHFFFAOYSA-N
-rxn:4:200575:226421,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3ccc(Cl)cc3N3CCCC3)c(C(F)(F)F)n2)C1,QYXJEHZUHCIJBP-UHFFFAOYSA-N
-rxn:4:200589:224254,COc1ccc(S(=O)(=O)N2CCC(Oc3ncccc3-c3ccc(F)c(C(=O)N4CCCC(C)C4)c3)C2)cc1F,LDNBIKOURSYIRY-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:4:200607:223179,CONC(=O)c1cc(-c2cccnc2OC2CCN(C(=O)OC(C)(C)C)CC2)ccc1F,RVYKWNVDNUVOLC-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:4:200627:225976,CC(C)(C)OC(=O)N1CCOC(c2ccc(-c3ccnc(N4CCOCC4)c3F)c(C(F)(F)F)n2)C1,DANGDQCDTUTCHN-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:4:200645:223179,CONC(=O)c1cc(-c2ccc(CSC3=NCCN3C(=O)C3CCCCC3)cc2)ccc1F,MYPSLGDYJMWGQE-UHFFFAOYSA-N
-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
-rxn:4:200648:223928,CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(-c3cnc4c(c3)CN(C(=O)OC(C)(C)C)CC4)c2)CC1,DNDREMGBCAXTGP-UHFFFAOYSA-N
-rxn:4:200648:224161,CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(-c3ccc4c(c3)CN(C(=O)OC(C)(C)C)C4)c2)CC1,IHOHYLWVWDGYDX-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:4:200650:223179,CONC(=O)c1cc(-c2ccccc2C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)ccc1F,QSAOISCNCGOZLA-UHFFFAOYSA-N
-rxn:4:200651:223179,CONC(=O)c1cc(-c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cc2)ccc1F,ZPIUHFYBDAKDIQ-UHFFFAOYSA-N
-rxn:4:200654:223904,CC(C)(C)OC(=O)N1CCCC(c2cc(C#N)cc(-c3cccc(C4CN(C(=O)OC(C)(C)C)C4)c3)c2)C1,IXVSYCWEYSALBD-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:4:200660:223179,CONC(=O)c1cc(-c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c(F)c2)ccc1F,LUIRSJDQMKUEQI-UHFFFAOYSA-N
-rxn:4:200660:223279,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3cnc(C4CCCN4)nc3)cc2F)CC1,ZCTCEMCIBUYMKG-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:4:200691:223179,CONC(=O)c1cc(-c2ccc(N(CC(C)C)C3CCCCC3)c([N+](=O)[O-])c2)ccc1F,AVVHTARBFJWBSK-UHFFFAOYSA-N
-rxn:4:200694:223179,CONC(=O)c1cc(-c2cc(C(C)C)ccc2OCC(=O)N2CCN(C)CC2)ccc1F,XUUVHZRTTHXHPW-UHFFFAOYSA-N
-rxn:4:200699:223179,CONC(=O)c1cc(-c2ccc(C(=O)OC)cc2CN2CCN(C(C)C)CC2)ccc1F,MTAFSIVADOKTRS-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:4:200701:223179,CONC(=O)c1cc(-c2cc(Cl)ccc2CN2CCN(C(=O)OC(C)(C)C)CC2)ccc1F,HCSPWQGKSDPKDO-UHFFFAOYSA-N
-rxn:4:200701:223279,CC(C)(C)OC(=O)N1CCN(Cc2ccc(Cl)cc2-c2cnc(C3CCCN3)nc2)CC1,KBVJNVMNORCFTC-UHFFFAOYSA-N
-rxn:4:200701:226844,CC(C)(C)OC(=O)N1CCN(Cc2ccc(Cl)cc2-c2ccnc(C(=O)C(F)(F)F)c2)CC1,MZJSULHTPNYKHG-UHFFFAOYSA-N
-rxn:4:200702:223179,CONC(=O)c1cc(-c2cc(CN3CCN(C(=O)OC(C)(C)C)CC3)ccc2Cl)ccc1F,FQYCYVXYJGYVET-UHFFFAOYSA-N
-rxn:4:200702:226844,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:4:200704:223279,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cnc(C4CCCN4)nc3)cc2Cl)CC1,ZQAGYKDCTOAXHE-UHFFFAOYSA-N
-rxn:4:200706:223279,CC(C)(C)OC(=O)N1CCN(Cc2ccc(F)cc2-c2cnc(C3CCCN3)nc2)CC1,HTNKZAOXGHKJHI-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:4:200709:226511,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3cc(Cl)cnc3OCC3CC3)ccc2F)CC1,QLPWLXNGLVPIMR-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:4:200713:223279,CC(C)(C)OC(=O)N1CCN(Cc2cccc(-c3cnc(C4CCCN4)nc3)c2F)CC1,VKOFTTYPIXUPSV-UHFFFAOYSA-N
-rxn:4:200719:223279,CCOC(=O)N1CCN(S(=O)(=O)c2cc(-c3cnc(C4CCCN4)nc3)c(C)cc2C)CC1,GPMFGSGCOQBFGM-UHFFFAOYSA-N
-rxn:4:200722:223279,CC(C)(C)OC(=O)N1CCC(S(=O)(=O)c2ccc(-c3cnc(C4CCCN4)nc3)cn2)CC1,FANFCAGHZLIJEF-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:4:200729:223179,CONC(=O)c1cc(-c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)ccc2C(F)(F)F)ccc1F,MMDIXFDQDKAKTH-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:4:200732:226844,CC(C)(C)OC(=O)N1CCN(c2cc(-c3ccnc(C(=O)C(F)(F)F)c3)ccc2C(F)(F)F)CC1,DMAOKWIDEOKOEN-UHFFFAOYSA-N
-rxn:4:200734:226844,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:4:200749:223179,CONC(=O)c1cc(-c2ccc(S(=O)(=O)ON=C3CCN(S(=O)(=O)c4ccccc4)CC3)cc2)ccc1F,GWPWVYHWRNASAQ-UHFFFAOYSA-N
-rxn:4:200755:225767,COc1cc(-c2cc(F)c(OCC(C)C)c(F)c2)cc(C2CCCN(C(=O)OC(C)(C)C)C2)n1,CHQGSYNWPSUGLG-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:4:200760:223279,Cc1cc(OC2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1cnc(C2CCCN2)nc1,NVGBGWDOEQWBLC-UHFFFAOYSA-N
-rxn:4:200760:226844,Cc1cc(OC2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1ccnc(C(=O)C(F)(F)F)c1,NHIUYBBXDXFGNO-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:4:200763:224276,COc1ncc(-c2cn(C(=O)OC(C)(C)C)c3cccnc23)cc1C1CCN(C(=O)OC(C)(C)C)CC1,XQMDSQCAMCGSKG-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:4:200776:224991,CC(=O)c1ccc(S(=O)(=O)N2CCC(Oc3ncccc3-c3cc(C4CC4)nc(N4CCCC4)c3)CC2)cc1,GWGZTTSFNYIOOV-UHFFFAOYSA-N
-rxn:4:200782:223649,C[C@H]1CN(C(=O)c2ccc(-c3cccc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)cc2)CCN1C(=O)OC(C)(C)C,YJIFGKCKUIDKNO-QHCPKHFHSA-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:4:200789:223179,CONC(=O)c1cc(-c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3C)cc2F)ccc1F,WPVZGDXLXPWWSY-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:4:200791:223279,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:4:200797:222538,CCOc1cc(S(=O)(=O)N2CCN(c3ccccc3)CC2)ccc1-c1cc(C2CCCC2)nc(C2CCNCC2)c1,QSFFVNDSGLKODO-UHFFFAOYSA-N
-rxn:4:200801:222622,CCC(C)c1cc(-c2ccccc2S(=O)(=O)N2CCC(COc3ccncc3C)CC2)cc(C2CCCNC2)n1,XFXLOZMWXZINIW-UHFFFAOYSA-N
-rxn:4:200801:223508,Cc1cnccc1OCC1CCN(S(=O)(=O)c2ccccc2-c2ccc(N3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)nc2)CC1,FBFBGIHZCRGDNC-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:4:200807:222996,COc1cc(S(=O)(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)ccc1-c1ccc(F)cc1C1CCCNC1,WRCISQALHRNNGV-UHFFFAOYSA-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:4:200820:223572,CC1CCN(S(=O)(=O)c2ccc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)[C@H](C)C4)cc3F)c3ccccc23)CC1,IGUYLGUXAGYVPO-XMMPIXPASA-N
-rxn:4:200820:224481,C[C@@H]1CN(Cc2ccc(-c3ccc(OCCCN4CCCC4)cc3)c(F)c2)CCN1C(=O)OC(C)(C)C,QDIGISTWMMPACN-HSZRJFAPSA-N
-rxn:4:200820:227375,C[C@@H]1CN(Cc2ccc(-c3ccc(N4CCCC4)nc3)c(F)c2)CCN1C(=O)OC(C)(C)C,BFCZIZYFYFOQHJ-LJQANCHMSA-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:4:200824:223532,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:4:200825:224158,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccc2c(ccn2C(=O)OC(C)(C)C)c1,UIPADNGJDABGFG-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:4:200828:225753,COC(=O)c1cnc(C2CC2)c(-c2cc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3C)c(F)cc2F)c1,FKPOEXQKJMVMPX-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:4:200837:226844,O=C(CCc1ccccc1-c1ccnc(C(=O)C(F)(F)F)c1)N1CCCN(C2CCSC2)CC1,VIRLPGYBYPRESX-UHFFFAOYSA-N
-rxn:4:200843:223279,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(C4CCCN4)nc3)c(C3CC3)c2)CC1,CJAIETSYHLDGQX-UHFFFAOYSA-N
-rxn:4:200843:225665,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc(Cl)cc3N3CCCCC3)c(C3CC3)c2)CC1,AJKGNHWFDNVXSD-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:4:200847:226844,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:4:200848:226844,CC(C)(C)OC(=O)N1CCN(c2ccc(C3CC3)c(-c3ccnc(C(=O)C(F)(F)F)c3)c2)CC1,XOXYALBATDPXJL-UHFFFAOYSA-N
-rxn:4:200853:223179,CONC(=O)c1cc(-c2ccc(CN3CCC(C(=O)OC)CC3)c(N3CCOCC3)c2)ccc1F,PYFYWMGWZWRJTO-UHFFFAOYSA-N
-rxn:4:200854:223179,CONC(=O)c1cc(-c2ccc(CN3CCCC(C(=O)OC)C3)c(N3CCOCC3)c2)ccc1F,FZMYBDAXOBORAF-UHFFFAOYSA-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:4:200857:223179,CONC(=O)c1cc(-c2cc(C(=O)N3CCN(C(=O)OC(C)(C)C)[C@H](C)C3)ccc2C)ccc1F,QZPXGQCTICHQOU-QGZVFWFLSA-N
-rxn:4:200857:223279,Cc1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)cc1-c1cnc(C2CCCN2)nc1,RNFOSLWHQOIZNY-ZZWBGTBQSA-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:4:200859:225297,CCc1ccc(N2CCN(S(=O)(=O)c3cc(-c4cccc(S(=O)(=O)N5CCCC5)c4)ccc3OC)CC2)cc1,MGEJIHUHCKXACD-UHFFFAOYSA-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:4:200864:223179,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:4:200865:223279,CC(c1cccc(-c2cnc(C3CCCN3)nc2)c1)N1CCN(C(=O)OC(C)(C)C)C(C)C1,BYXJQANAFQAHEP-UHFFFAOYSA-N
-rxn:4:200866:223179,CONC(=O)c1cc(-c2cccc(C(C)N3CCN(C(=O)OC(C)(C)C)CC3C)c2)ccc1F,PTDPWIKRRRFKGX-UHFFFAOYSA-N
-rxn:4:200866:226844,CC1CN(C(=O)OC(C)(C)C)CCN1C(C)c1cccc(-c2ccnc(C(=O)C(F)(F)F)c2)c1,GURIUEKTYGSTTK-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:4:200868:226844,CC(c1ccccc1-c1ccnc(C(=O)C(F)(F)F)c1)N1CCN(C(=O)OC(C)(C)C)C(C)C1,OHPMSNBWCLYJDY-UHFFFAOYSA-N
-rxn:4:200869:223279,Cc1cc(CN2CCN(C(=O)OC(C)(C)C)C(C)C2)cc(-c2cnc(C3CCCN3)nc2)c1,RNUUEVYAHCVGBT-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:4:200870:223279,C[C@@H]1CN(Cc2ccc(F)c(-c3cnc(C4CCCN4)nc3)c2)[C@@H](C)CN1C(=O)OC(C)(C)C,PWSHFBVUVNVCGM-BSKKSYLPSA-N
-rxn:4:200871:228010,Cc1cc(-c2cc(Cl)ccc2C2CC2)cc(C)c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,MXGSEMDCVVGYAH-UHFFFAOYSA-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:4:200875:225801,COc1cc(S(=O)(=O)N2CCN(c3ccc(C)c(Cl)c3)CC2)c(OC)cc1-c1ccnc(OC2CCCC2)c1Cl,NTQYSFDAOUXVCF-UHFFFAOYSA-N
-rxn:4:200875:226272,CCN(C)C(=O)c1cccc(-c2cc(OC)c(S(=O)(=O)N3CCN(c4ccc(C)c(Cl)c4)CC3)cc2OC)c1,BMUFISSJQXKPBX-UHFFFAOYSA-N
-rxn:4:200878:223279,COc1ccc(S(=O)(=O)N2CCOC23CCN(C(=O)c2ccc(-c4cnc(C5CCCN5)nc4)o2)CC3)cc1,ZEORFJKYPRLGNE-UHFFFAOYSA-N
-rxn:4:200879:223179,CONC(=O)c1cc(-c2ccc(OC)c(CN3CCCC(C(=O)N4CCCCC4)C3)c2)ccc1F,UPDZIFNWQKFLEF-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:4:200882:226844,CC(C)(C)OC(=O)N1CCC2(CC1)CN(Cc1cccc(-c3ccnc(C(=O)C(F)(F)F)c3)c1)C2,MOGJUFWSJOQBMU-UHFFFAOYSA-N
-rxn:4:200883:226844,CC(C)(C)OC(=O)N1CCC2(CC1)CN(Cc1ccccc1-c1ccnc(C(=O)C(F)(F)F)c1)C2,GOLUVDHVTVIWRO-UHFFFAOYSA-N
-rxn:4:200885:223279,COC(=O)C1CCN(Cc2ccc(-c3cnc(C4CCCN4)nc3)cc2N2CCCCC2)CC1,CFKCTZFODGBHSP-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:4:200893:223179,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:4:200895:223179,CONC(=O)c1cc(-c2ccc(C(=O)N3CCCCC3CCN3CCCCCC3)cc2)ccc1F,ROCCAIRNRBGKTM-UHFFFAOYSA-N
-rxn:4:200895:225322,Cn1nc(C(F)(F)F)c2c(-c3ccc(C(=O)N4CCCCC4CCN4CCCCCC4)cc3)cccc21,UKTDSQLPYOUXMF-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:4:200898:226844,COc1cc(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)c(OC)cc1-c1ccnc(C(=O)C(F)(F)F)c1,YBTGKFSAANDIAG-UHFFFAOYSA-N
-rxn:4:200899:223179,CONC(=O)c1cc(-c2cc(OC)c(S(=O)(=O)N3CCN(c4cc(C)cc(C)c4)CC3)cc2OC)ccc1F,UOTDCWNBLRVVOE-UHFFFAOYSA-N
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-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:4:200903:223239,COc1ccccc1N1CCN(S(=O)(=O)c2cc(C)c(-c3cncc(C4CCCN4)c3)cc2C(C)C)CC1,FLHFJXNBCWKCIM-UHFFFAOYSA-N
-rxn:4:200985:224713,CCCCOc1ccc(-c2cncc(C(=O)OCC(=O)N3CCOc4ccc(C)cc43)c2)c(C(F)(F)F)c1,QMXQASYUHRUDQH-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:4:201072:226844,CCC1SC2=NC(C)=C(C(=O)OC)C(c3cc(-c4ccnc(C(=O)C(F)(F)F)c4)ccc3OC)N2C1=O,FSZKACMGFMGQEJ-UHFFFAOYSA-N
-rxn:4:201081:223179,CCCCN1C(=O)C(=C2SC(=S)N(Cc3ccco3)C2=O)c2cc(-c3ccc(F)c(C(=O)NOC)c3)ccc21,RJNLEBFXHRZCPA-UHFFFAOYSA-N
-rxn:4:201085:223179,CCOC(=O)CN1C(=O)C(=C2SC(=S)N(c3ccc(-c4ccc(F)c(C(=O)NOC)c4)cc3)C2=O)c2ccccc21,SMHFAYDTWKXTPN-UHFFFAOYSA-N
-rxn:4:201085:223279,CCOC(=O)CN1C(=O)C(=C2SC(=S)N(c3ccc(-c4cnc(C5CCCN5)nc4)cc3)C2=O)c2ccccc21,SEMXUTYVRHSRKD-UHFFFAOYSA-N
-rxn:4:201097:223502,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3ccc4c(c3)CN(C(=O)C3CCN(C(=O)OC(C)(C)C)C3)C4)cc2F)CC1,UVAQCGXRUPMYCS-UHFFFAOYSA-N
-rxn:4:201097:223531,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc4c(c3)CN(C(=O)C3CCN(C(=O)OC(C)(C)C)C3)C4)cc2Cl)CC1,GVJKBSONVVYNAL-UHFFFAOYSA-N
-rxn:4:201097:223573,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc4c(c3)CN(C(=O)C3CCN(C(=O)OC(C)(C)C)C3)C4)cc2)CC1,PHTDYRXUDFVZJP-UHFFFAOYSA-N
-rxn:4:201097:223880,Cc1ccc2c(c1)cc(-c1ccc3c(c1)CN(C(=O)C1CCN(C(=O)OC(C)(C)C)C1)C3)n2C(=O)OC(C)(C)C,SBNPJJSJQIHBCP-UHFFFAOYSA-N
-rxn:4:201097:226511,CC(C)(C)OC(=O)N1CCC(C(=O)N2Cc3ccc(-c4cc(Cl)cnc4OCC4CC4)cc3C2)C1,JTBUUTAEIUAVHG-UHFFFAOYSA-N
-rxn:4:201097:226844,CC(C)(C)OC(=O)N1CCC(C(=O)N2Cc3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3C2)C1,YIEZXFVHYWFIIL-UHFFFAOYSA-N
-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:4:201100:223279,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:4:201101:223279,CC1=C(C(=O)OCC(C)C)C(c2ccc(-c3cnc(C4CCCN4)nc3)cc2)N2C(=O)C(C)SC2=N1,AEWDNOYQVALJTE-UHFFFAOYSA-N
-rxn:4:201101:226844,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:4:201104:223179,CCOc1ccc(C2SCC3C(=O)N(c4ccc(-c5ccc(F)c(C(=O)NOC)c5)cc4)C(=S)N32)cc1OC,IANZUXHKJWCXME-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:4:201108:226844,O=C(CCc1ccccc1-c1ccnc(C(=O)C(F)(F)F)c1)N1CC(N2CC3CCCC3C2)C1,DSJXPWPHXIIVMJ-UHFFFAOYSA-N
-rxn:4:201113:223279,COc1ccc(-c2cnc(C3CCCN3)nc2)cc1C1C(C(=O)OC(C)C)=C(C)N=C2SCCC(=O)N21,NXDFBMAMXWODDD-UHFFFAOYSA-N
-rxn:4:201118:223179,CCCCN1C(=O)C(=C2SC(=S)N(Cc3ccccc3)C2=O)c2cc(-c3ccc(F)c(C(=O)NOC)c3)ccc21,OAPZHUVYHOSAHF-UHFFFAOYSA-N
-rxn:4:201118:226844,CCCCN1C(=O)C(=C2SC(=S)N(Cc3ccccc3)C2=O)c2cc(-c3ccnc(C(=O)C(F)(F)F)c3)ccc21,VUEHKPGJDHLAAI-UHFFFAOYSA-N
-rxn:4:201120:226844,COC(=O)C1=C(C)N=C2SC(Cc3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3)C(=O)N2C1c1ccccc1,XNLOIDHYHFVETN-UHFFFAOYSA-N
-rxn:4:201121:226844,CC1=C(C(=O)OCc2ccccc2)C(c2ccccc2-c2ccnc(C(=O)C(F)(F)F)c2)N2C(=O)CCSC2=N1,UIRITDHPXMGIBS-UHFFFAOYSA-N
-rxn:4:201123:223279,CCCCN1C(=O)C(=C2SC(=S)N(Cc3ccc(F)cc3)C2=O)c2cc(-c3cnc(C4CCCN4)nc3)ccc21,SISCABMMXMGMNX-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:4:201126:226844,O=C1CCC(=O)N1C1CC2CCC(C1)N2C(=O)CCc1ccccc1-c1ccnc(C(=O)C(F)(F)F)c1,RGTRNTQLSCQMMT-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:4:201133:222833,CC(C)CCC(=O)Nc1cccc(-c2ccc3c(c2)CN(CC2CCN(C(=O)OC(C)(C)C)CC2)C3=O)c1,AHIPXFGTWYAHOR-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:4:201183:226844,O=C1c2oc3ccccc3c(=O)c2C(c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2)N1CCCN1CCOCC1,YJRPSEVIJCLTDO-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:4:201352:223883,CCOC(=O)C(=O)c1c(-c2ccc3c(c2)CCCN3C(=O)OC(C)(C)C)nc(C)n1C,DPESFHWEIPBTSL-UHFFFAOYSA-N
-rxn:4:201378:224016,CC(=O)n1nc(C(F)(F)C(F)(F)C(F)(F)F)c(-c2cn(S(=O)(=O)N(C)C)nc2-c2ccccn2)c1C,GWKLVZARXCVQOF-UHFFFAOYSA-N
-rxn:4:201556:223557,COC(=O)C(C)Cn1nc(C)c(-c2c(F)ccc3c2ccn3[Si](C(C)C)(C(C)C)C(C)C)c1C,NISMDRTXNDNDMK-UHFFFAOYSA-N
-rxn:4:201606:222716,O=[N+]([O-])c1cc(-c2ccc(S(=O)(=O)NC3CCCC3)c(F)c2)cnc1OCC1CCOCC1,VNBPMZLIXMVPIG-UHFFFAOYSA-N
-rxn:4:201645:223649,CC(C)(C)OC(=O)N1CCN(c2cccc(-c3nc(C4CN(C(=O)OC(C)(C)C)C4)cs3)c2)CC1,KYFHHYGITOAXLK-UHFFFAOYSA-N
-rxn:4:201686:223537,CC(C)N(C(=O)c1cncc(-c2cc3cc(OC(F)(F)F)ccc3n2C(=O)OC(C)(C)C)c1)C(C)C,GPVNHXNMNKAEJI-UHFFFAOYSA-N
-rxn:4:201704:223179,CONC(=O)c1cc(-c2ccc(C(=O)N3CC(CN4C(=O)CCC4=O)C3)o2)ccc1F,GIDUSTMSZPOHBI-UHFFFAOYSA-N
-rxn:4:201746:222913,O=S(=O)(NCc1ccc(-c2cccnc2OC2CCN(S(=O)(=O)C3CC3)C2)cc1)C1CC1,IVIXEWHAXFTOIT-UHFFFAOYSA-N
-rxn:4:201758:223817,O=C(Cc1cncc(-c2cnn(CCN3C(=O)c4ccccc4C3=O)c2)c1)N1CCCC(C(F)(F)F)C1,MHIQNRTXUVLOOJ-UHFFFAOYSA-N
-rxn:4:201758:224595,COc1cc(N2CCCC(C)C2)ccc1-c1cncc(CC(=O)N2CCCC(C(F)(F)F)C2)c1,JMZKOPUFPXQKTH-UHFFFAOYSA-N
-rxn:4:201758:225548,CCOC(=O)c1ccc(CC)cc1-c1cncc(CC(=O)N2CCCC(C(F)(F)F)C2)c1,YPQQRSCSJSVLLA-UHFFFAOYSA-N
-rxn:4:201785:224256,CCOC(=O)C1CCN(c2ccc(-c3ccc(Cl)c(C(=O)N4CCCCC4C)c3)cn2)CC1,BNXGDCWRBQCMKM-UHFFFAOYSA-N
-rxn:4:201791:224243,CCOC(=O)c1nc(N2CCCCC2)ccc1-c1cc(F)cc(C(=O)N2CCCCC2C)c1,WTKAYQHWMCQIRR-UHFFFAOYSA-N
-rxn:4:201814:225746,CCOC(=O)c1nc(N2CCC(F)(F)CC2)ccc1-c1cccnc1C(=O)OC(C)(C)C,RGTFOZYGXQWVMZ-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:4:201817:226844,COC(=O)c1nc(N2CCC(C(F)(F)F)CC2)ccc1-c1ccnc(C(=O)C(F)(F)F)c1,RIISVOMNGDVURR-UHFFFAOYSA-N
-rxn:4:201859:223179,CONC(=O)c1cc(-c2cnccc2OC2CCN(C(=O)C3CC(F)(F)C3)C2)ccc1F,OAZOAHYTYKYDRV-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:4:201870:223279,O=C(c1cc(-c2cnc(C3CCCN3)nc2)ccc1Cl)N1CC(CN2C(=O)CCC2=O)C1,UETKYOWQDKOLAV-UHFFFAOYSA-N
-rxn:4:201900:224719,CC(C)c1nn(C(=O)OC(C)(C)C)cc1-c1ccc(S(=O)(=O)N2CCC(C(=O)N(C)C)C2)cc1,FUJWEONQLIJFFE-UHFFFAOYSA-N
-rxn:4:201907:223179,CONC(=O)c1cc(-c2ccc(CC(=O)N3CCC(N4C(=O)COC4=O)C3)cc2)ccc1F,IRXSPAGKLNOEJC-UHFFFAOYSA-N
-rxn:4:201950:222787,CC(C)(C)OC(=O)Nc1ccc(-c2ccc(C3CCN(C(=O)OC(C)(C)C)C3)nc2)c(Cl)c1,ATGCIUYMIZQTSY-UHFFFAOYSA-N
-rxn:4:201950:223823,CC(C)(C)OC(=O)N1CCC(n2cc(-c3ccc(C4CCN(C(=O)OC(C)(C)C)C4)nc3)cn2)CC1,OHOMCNVYWLPXCC-UHFFFAOYSA-N
-rxn:4:201950:225292,CC(C)Oc1ccc(-c2ccc(C3CCN(C(=O)OC(C)(C)C)C3)nc2)cc1C(F)(F)F,JTDLIIRSXOTSNR-UHFFFAOYSA-N
-rxn:4:201953:224285,COC(=O)c1cc(-c2ccc(OCCN3CCOCC3)cc2F)ccc1CN1CCN(C)CC1,NGEGUHAZLZHRTJ-UHFFFAOYSA-N
-rxn:4:201958:222886,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3ccc(N4CCNCC4)cc3C#N)c(F)n2)C1,AJXWJZMSHYNKSN-UHFFFAOYSA-N
-rxn:4:201975:222742,O=C(c1ccco1)N1CCN(S(=O)(=O)c2ccc(-c3cc(C4CCNCC4)nc(C4CC4)c3)cc2)CC1,LWCVKDOUHFMREF-UHFFFAOYSA-N
-rxn:4:201975:223810,Cc1cc(-c2ccc(S(=O)(=O)N3CCN(C(=O)c4ccco4)CC3)cc2)cc(C)c1S(=O)(=O)N1CCC(C)CC1,MLTMRVPQJPDSGB-UHFFFAOYSA-N
-rxn:4:201975:224760,O=C(c1ccco1)N1CCN(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCCCC4)cc3)cc2)CC1,XUNQRRAVWYYUMU-UHFFFAOYSA-N
-rxn:4:201995:223777,CC(C)(C)OC(=O)N1CCc2c(ccc(-c3ccnc(C4CN(C(=O)OC(C)(C)C)CCO4)c3)c2F)C1,LGPFWXDDLVHHQF-UHFFFAOYSA-N
-rxn:4:202008:223834,CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cc(C)c(S(=O)(=O)N2CCN(C)CC2)c(C)c1,PDUGZPNWOAYKAP-UHFFFAOYSA-N
-rxn:4:202010:223933,CC(C)(C)OC(=O)N1CCOC(c2cncc(-c3cc4cc(F)ccc4n3C(=O)OC(C)(C)C)c2)C1,YWDNNEXLKGEINX-UHFFFAOYSA-N
-rxn:4:202011:225312,CN1CCCN(c2ncc(-c3ccc(C4CN(C(=O)OC(C)(C)C)CCO4)nc3)cn2)CC1,BPFBJBDQCUDCKC-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:4:202070:225877,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc(Cl)cc3N3CCOCC3)cc2)C(=O)C1,BACRXCFWUXAZMF-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:4:202072:222438,CC(C)(C)OC(=O)N1CCN(c2cccc(-c3cc(C(=O)Nc4cc([N+](=O)[O-])ccc4F)ccc3Cl)c2)C(=O)C1,IUSJQBVTIFCWLM-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:4:202102:223179,CONC(=O)c1cc(-c2cnc(C3CCN(C(=O)OC(C)(C)C)CC3C)s2)ccc1F,MXCJYXIBEUIAAP-UHFFFAOYSA-N
-rxn:4:202103:224273,CC(C)(C)OC(=O)N1CCC(c2cnccc2-c2cc3ncccc3n2C(=O)OC(C)(C)C)CC1,SIJFMJPYGMPNRZ-UHFFFAOYSA-N
-rxn:4:202103:224278,CC(C)(C)OC(=O)N1CCC(c2cnccc2-c2cnc3c(ccn3C(=O)OC(C)(C)C)c2)CC1,CTRZYNLHIXCJDS-UHFFFAOYSA-N
-rxn:4:202103:224368,CN(C(=O)OC(C)(C)C)c1cc(-c2ccncc2C2CCN(C(=O)OC(C)(C)C)CC2)cnc1Cl,AKXXNFWDEMMHBJ-UHFFFAOYSA-N
-rxn:4:202104:225213,CN1CCN(c2ccc(-c3ccnc(C4CCN(C(=O)OC(C)(C)C)CC4)c3)c(Cl)c2)CC1,ZUXAJVRZPYSPIK-UHFFFAOYSA-N
-rxn:4:202113:224378,CC(C)(C)OC(=O)N1CCN(c2cccc(-c3cnc(N4CCCCC4)c(C(F)(F)F)c3)c2)CC1,CLRNJWJMUKRFGP-UHFFFAOYSA-N
-rxn:4:202129:224561,Cc1c(O[Si](C)(C)C(C)(C)C)cccc1-c1ccc(C2CCN(C(=O)OC(C)(C)C)CC2)nc1F,LCZVONBCVNCUOW-UHFFFAOYSA-N
-rxn:4:202131:222889,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)cc(-c3cc(F)cc(CN4CCNCC4)c3)c2)CC1,DGWQCHQWQXCTRN-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:4:202132:224746,CC(=O)N1CCN(c2ccc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)c(Cl)c3)cn2)CC1,RGGKJDOAXMUFCL-UHFFFAOYSA-N
-rxn:4:202136:223179,CONC(=O)c1cc(-c2cncc(F)c2N2CCC(C(=O)OC(C)(C)C)CC2)ccc1F,OUSXYOWCBWRFBJ-UHFFFAOYSA-N
-rxn:4:202138:223179,CONC(=O)c1cc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2F)ccc1F,QTBNWJGVMHWGSJ-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:4:202146:226844,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)c(F)c2F)CC1,CXDSRZCKKLNZLK-UHFFFAOYSA-N
-rxn:4:202163:223590,Cc1cc(C2=CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1C,SVXGZIVRPQHJHH-UHFFFAOYSA-N
-rxn:4:202163:223941,Cc1cc(C2=CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1ccc2c(c1)CC(=O)N2C(=O)OC(C)(C)C,IICQSTDPUHFXRT-UHFFFAOYSA-N
-rxn:4:202163:224624,Cc1cc(C2=CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1cc(Cl)ccc1C(=O)OCC(C)(C)C,OITVNFJQGCNCLM-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:4:202168:223179,CONC(=O)c1cc(-c2ccc(CN3CCOC(C(=O)N4CCCC4)C3)cc2)ccc1F,OQJYBILHBBLVGG-UHFFFAOYSA-N
-rxn:4:202169:223179,CONC(=O)c1cc(-c2cccc(CN3CCOC(C(=O)N4CCCC4)C3)c2)ccc1F,IGYNWFHKJFSUCS-UHFFFAOYSA-N
-rxn:4:202170:223179,CONC(=O)c1cc(-c2ccccc2CN2CCOC(C(=O)N3CCCC3)C2)ccc1F,ZTUMQOLFRNCVKO-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:4:202201:223179,CONC(=O)c1cc(-c2cccc(CN3CCOC(C(=O)N4CCOCC4)C3)c2)ccc1F,BZKXEMQVMDFQSN-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:4:202222:226844,CC1CN(C(=O)OC(C)(C)C)CCC1c1ccnc(-c2ccnc(C(=O)C(F)(F)F)c2)c1,JIWRODSNOXCYFH-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:4:202226:226844,Cc1cc(C2CCCN(C(=O)OC(C)(C)C)C2)cc(-c2ccnc(C(=O)C(F)(F)F)c2)n1,SZWVZZOWXOKHBS-UHFFFAOYSA-N
-rxn:4:202227:222970,Cc1cc(-c2ccccc2C(=O)NCC(C)C)cc(C2CCCN(C(=O)OC(C)(C)C)C2)n1,LNGSRBCLHQFBSV-UHFFFAOYSA-N
-rxn:4:202227:224162,Cc1cc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CC3)cc(C2CCCN(C(=O)OC(C)(C)C)C2)n1,KPQUKFIVEBGKKT-UHFFFAOYSA-N
-rxn:4:202227:225294,CCN1CCN(c2ncc(-c3cc(C)nc(C4CCCN(C(=O)OC(C)(C)C)C4)c3)cn2)CC1,XBESZSJAPHAAEM-UHFFFAOYSA-N
-rxn:4:202227:225312,Cc1cc(-c2cnc(N3CCCN(C)CC3)nc2)cc(C2CCCN(C(=O)OC(C)(C)C)C2)n1,XPRJLNOHUCSACB-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:4:202228:223179,CONC(=O)c1cc(-c2cc(C(C)C)cc(C(=O)N3CCN(C)CC3)c2OC)ccc1F,XCNPXVBKSOOEKL-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:4:202234:223179,CONC(=O)c1cc(-c2cccc(N3CCN(C(=O)OC(C)(C)C)CC3)c2C)ccc1F,OPRUBQULBNODDG-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:4:202237:223099,CC1CN(C(=O)OC(C)(C)C)CCC1c1ccc(-c2cccc(NC(=O)C(F)(F)F)c2)cn1,YXUIVEBUUSFBEG-UHFFFAOYSA-N
-rxn:4:202267:223179,CONC(=O)c1cc(-c2cccc(CN3CCOC(C(=O)N4CCCCC4)C3)c2)ccc1F,FUWSDAGOJROBPH-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:4:202269:226844,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:4:202271:226844,O=C(C1CCCN(Cc2ccccc2-c2ccnc(C(=O)C(F)(F)F)c2)C1)N1CCOCC1,CFERRTYCBPVXRM-UHFFFAOYSA-N
-rxn:4:202273:225213,CN1CCN(c2ccc(-c3cccc(CN4CCCC(C(=O)N5CCSCC5)C4)c3)c(Cl)c2)CC1,KPAJYWNGNDCBRF-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:4:202275:226844,COC1CCN(C2CCN(C(=O)c3cc(-c4ccnc(C(=O)C(F)(F)F)c4)ccc3Cl)CC2)C1,HHUUYPVZCPLIAL-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:4:202278:223980,CCc1ccccc1N1CCN(S(=O)(=O)c2ccc(-c3cccc(S(=O)(=O)N4CCN(CC)CC4)c3)cc2)CC1,ZWYBKTDGVVXIMR-UHFFFAOYSA-N
-rxn:4:202284:223179,CONC(=O)c1cc(-c2ccc(OC)c(CN3CCC(N4CCCC4)CC3)c2)ccc1F,IETVFXNMAAAAGM-UHFFFAOYSA-N
-rxn:4:202284:226844,COc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1CN1CCC(N2CCCC2)CC1,XWDPVJUTMHOOQP-UHFFFAOYSA-N
-rxn:4:202285:226844,COC1CCN(Cc2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2N2CCCC2)CC1,KSKZCYZCGASNQP-UHFFFAOYSA-N
-rxn:4:202287:223279,O=C(c1ccccc1-c1cnc(C2CCCN2)nc1)N1CCCSCC1CN1CCOCC1,SQWGPFNMEAMFPE-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:4:202292:226844,O=C(c1cc(-c2ccc(CN3CCC(C(F)(F)F)CC3)c(N3CCOCC3)c2)ccn1)C(F)(F)F,IIDHMHQNTJIXSE-UHFFFAOYSA-N
-rxn:4:202295:225162,COc1cc(-c2ccc(C(=O)N3CCCC3)c(Cl)c2)ccc1S(=O)(=O)N1CCN(c2ccc(C)cc2)CC1,QMMXOTWFOPSBED-UHFFFAOYSA-N
-rxn:4:202307:227713,CCN1CCN(S(=O)(=O)c2cc(C)c(-c3cc(F)ccc3OC(F)F)cc2C(C)C)CC1,OIYCHWSQSCMILX-UHFFFAOYSA-N
-rxn:4:202310:223179,CONC(=O)c1cc(-c2ccc(S(=O)(=O)N3CCCSCC3CN3CCOCC3)cc2)ccc1F,OYRUEFWPLXIEFW-UHFFFAOYSA-N
-rxn:4:202310:226844,O=C(c1cc(-c2ccc(S(=O)(=O)N3CCCSCC3CN3CCOCC3)cc2)ccn1)C(F)(F)F,KZZPKHYNBRDFSR-UHFFFAOYSA-N
-rxn:4:202311:226844,O=C(C1CCN(Cc2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2)CC1)N1CCC(F)(F)CC1,LOYWQKPYMCWPCU-UHFFFAOYSA-N
-rxn:4:202315:222998,Cc1cc(OC2CCN(S(=O)(=O)c3ccccc3-c3cc(F)cc(C4CCCNC4)c3)CC2)cc(=O)n1C,JXGVFOMEAKRMOI-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:4:202330:222719,COc1ccc(-c2cc(C3CCCNC3)nc(C(F)(F)F)c2)cc1S(=O)(=O)N1CCN(c2cccc(C)c2C)CC1,DCNUROCZZWVBJP-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:4:202340:223279,Cc1cc(S(=O)(=O)N2CCOC23CCN(C(=O)c2ccc(-c4cnc(C5CCCN5)nc4)o2)CC3)ccc1F,PKHWLIFBTUKAFD-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:4:202345:223839,COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cc(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)c(OC)cc1C,MWHUKTDPSHBOMK-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:4:202346:223179,CONC(=O)c1cc(-c2ccc(C3=NC4(CCCCCC4)N(C(=O)c4ccc(OC)cc4)C3=S)cc2)ccc1F,NHCBNKRIYSAVEI-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
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-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:4:202350:223279,Cc1cc(S(=O)(=O)N2CCOC23CCN(C(=O)c2cccc(-c4cnc(C5CCCN5)nc4)c2)CC3)ccc1F,UKEKWWGFDGXQPC-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:4:202351:223279,Cc1cc(S(=O)(=O)N2CCOC23CCN(C(=O)c2ccc(-c4cnc(C5CCCN5)nc4)cc2)CC3)ccc1F,FAQPTQSAKLKBQN-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:4:202355:226844,CCc1ccccc1N1CCN(S(=O)(=O)c2c(C)cc(C)c(-c3ccnc(C(=O)C(F)(F)F)c3)c2C)CC1,UUEDOVJNUPLGHQ-UHFFFAOYSA-N
-rxn:4:202356:226844,Cc1cc(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)c(C(C)C)cc1-c1ccnc(C(=O)C(F)(F)F)c1,XFECYGUNOCNBMI-UHFFFAOYSA-N
-rxn:4:202424:223904,CCOC(=O)c1c(C(F)F)nc2c(-c3cccc(C4CN(C(=O)OC(C)(C)C)C4)c3)cc(C)cn12,WQCOXWFFLFMXDQ-UHFFFAOYSA-N
-rxn:4:202534:226844,COCC(=O)N=C1SC2CS(=O)(=O)CC2N1c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1F,AXAQUUGMRCMOFE-UHFFFAOYSA-N
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-rxn:4:202593:223574,CC(C)(C)OC(=O)N1CCN(Cc2cccc(-c3ccc4ccc(C5CN(C(=O)OC(C)(C)C)C5)nc4c3)c2)CC1,PSNWTZXWJHZBAU-UHFFFAOYSA-N
-rxn:4:202597:226844,CCCCCN1C(=O)C(=C2SC(=S)N(C)C2=O)c2cc(-c3ccnc(C(=O)C(F)(F)F)c3)ccc21,HKGYHFQIMXZSTO-UHFFFAOYSA-N
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-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
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-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:4:202603:223279,CCC1SC2=NC(C)=C(C(=O)OC)C(c3ccccc3-c3cnc(C4CCCN4)nc3)N2C1=O,LVRRMZGWGZLOGW-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:4:202604:223279,CCOC(=O)C1=C(C)N=C2SCCC(=O)N2C1c1ccc(-c2cnc(C3CCCN3)nc2)cc1,NPOURHDMMAUOLR-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:4:202606:223279,CCOC(=O)C1=C(C)N=C2SCCC(=O)N2C1c1ccccc1-c1cnc(C2CCCN2)nc1,TWTPVSZJKBQETB-UHFFFAOYSA-N
-rxn:4:202620:224485,CC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2ccc3c(C(C)(C)C)nn(C(=O)OC(C)(C)C)c3c2)c1,YQCOHBWAWJCPKC-UHFFFAOYSA-N
-rxn:4:202653:226716,CC(C)(C)OC(=O)N1CCOC(c2cc3cccc(-c4ccn(C(=O)OC(C)(C)C)n4)n3c2)C1,GCKAWHIMUFXSKZ-UHFFFAOYSA-N
-rxn:4:202656:223490,Cc1ccc(-c2cc3c(N4CCN(C(=O)OC(C)(C)C)CC4)cccc3s2)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,SWAJLDHVSLXZQY-UHFFFAOYSA-N
-rxn:4:202656:226716,CC(C)(C)OC(=O)N1CCN(c2cccc3sc(-c4ccn(C(=O)OC(C)(C)C)n4)cc23)CC1,QHHHQSLEQMMEQP-UHFFFAOYSA-N
-rxn:4:202662:223279,CC1=C(C(=O)OC(C)C)C(c2cccc(-c3cnc(C4CCCN4)nc3)c2)N2C(=O)C(C)SC2=N1,IELDAUGYLXIRFR-UHFFFAOYSA-N
-rxn:4:202664:225044,C[Si](C)(C)c1cc(-c2ccccc2S(=O)(=O)N2C3CCC2CC(Oc2cccnc2)C3)cc([Si](C)(C)C)c1,ZSBOOTQYCXHTAN-UHFFFAOYSA-N
-rxn:4:202675:223580,COC(=O)c1ccc2c(c1)cc(-c1cn([Si](C(C)C)(C(C)C)C(C)C)c3ncccc13)n2C(=O)OC(C)(C)C,GMYDXBSCVGKRKX-UHFFFAOYSA-N
-rxn:4:202680:223774,COc1cccc2c1cc(-c1cnc3c(ccn3[Si](C(C)C)(C(C)C)C(C)C)c1Cl)n2C(=O)OC(C)(C)C,KQGZIROLAUOSRM-UHFFFAOYSA-N
-rxn:4:202682:223279,CC(C)(C)OC(=O)N1CC2CCC1CN2c1ccc(-c2cnc(C3CCCN3)nc2)cc1,XLBMDWYLPMNRND-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:4:202686:223279,CCOC(=O)N1CCC(N2Cc3cc(-c4cnc(C5CCCN5)nc4)ccc3OCC2=O)CC1,RKRIAZQVGKMFFA-UHFFFAOYSA-N
-rxn:4:202689:226844,CC(C)(C)OC(=O)N1C(=O)CCC(N2Cc3cc(-c4ccnc(C(=O)C(F)(F)F)c4)ccc3C2=O)C1=O,CPXSJWOGGWHDAX-UHFFFAOYSA-N
-rxn:4:202694:223179,CCN1C(=O)C(=C2SC(=S)N(CCc3ccccc3)C2=O)c2cc(-c3ccc(F)c(C(=O)NOC)c3)ccc21,HOHNLQDFPMTUCB-UHFFFAOYSA-N
-rxn:4:202695:223179,CCCN1C(=O)C(=C2SC(=S)N(Cc3ccccc3)C2=O)c2cc(-c3ccc(F)c(C(=O)NOC)c3)ccc21,YNSTTWKURLJXBJ-UHFFFAOYSA-N
-rxn:4:202698:226844,CCCN1C(=O)C(=C2SC(=S)N(Cc3ccccc3Cl)C2=O)c2cc(-c3ccnc(C(=O)C(F)(F)F)c3)ccc21,NHKHIXLMGDSPQE-UHFFFAOYSA-N
-rxn:4:202700:223279,O=C1CCC(=O)N1C1CC2CCC(C1)N2C(=O)Cc1ccc(-c2cnc(C3CCCN3)nc2)cc1,LPPUMHXEJFLQKO-UHFFFAOYSA-N
-rxn:4:202700:226759,COc1cc(-c2ccc(CC(=O)N3C4CCC3CC(N3C(=O)CCC3=O)C4)cc2)cc(C(F)(F)F)c1,KBWODBOQFMDLPV-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:4:202711:223179,CONC(=O)c1cc(-c2nc3cc([C@H]4CC[C@H](C)CN4C(=O)OC(C)(C)C)ccc3s2)ccc1F,LCVIXYITIFYANQ-YCRPNKLZSA-N
-rxn:4:202713:226844,CC(C)(C)OC(=O)N1CCC(N2Cc3cc(-c4ccnc(C(=O)C(F)(F)F)c4)ccc3C2=O)CC1,AXXFBMJXTHIYBZ-UHFFFAOYSA-N
-rxn:4:202714:223532,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)cc(-c3ccc4cncc(C5CCCN(C(=O)OC(C)(C)C)C5)c4c3)c2)CC1,FIHZSXDBVKAIIK-UHFFFAOYSA-N
-rxn:4:202714:224268,CC(C)(C)OC(=O)N1CCCC(c2cncc3ccc(-c4ccc5c(cnn5C(=O)OC(C)(C)C)c4)cc23)C1,YPVYOPYIFANUMC-UHFFFAOYSA-N
-rxn:4:202726:223776,CC(C)(C)OC(=O)N1CCC(N2CCc3cc(-c4ccc5c(c4)CN(C(=O)OC(C)(C)C)CCO5)ccc32)CC1,VPTHBCBMSJSLHH-UHFFFAOYSA-N
-rxn:4:202731:226844,CC1Oc2ccccc2OC1C(=O)N1CCC(Oc2ncccc2-c2ccnc(C(=O)C(F)(F)F)c2)CC1,FVHOJWVODWRUDF-UHFFFAOYSA-N
-rxn:4:202733:223279,CCc1ccc(N2C(=O)N(Cc3ccc(-c4cnc(C5CCCN5)nc4)cc3F)C3CS(=O)(=O)CC32)cc1,JFZNMTKNMNRJLW-UHFFFAOYSA-N
-rxn:4:202755:223179,CONC(=O)c1cc(-c2ccc3c(c2)CN(C2CCN(C(=O)OC(C)(C)C)CC2)C(=O)CO3)ccc1F,FICCYHCZHRESAL-UHFFFAOYSA-N
-rxn:4:202755:223279,CC(C)(C)OC(=O)N1CCC(N2Cc3cc(-c4cnc(C5CCCN5)nc4)ccc3OCC2=O)CC1,XEQNVTZMCGTVNZ-UHFFFAOYSA-N
-rxn:4:202797:223179,CONC(=O)c1cc(-c2ccc(C(=O)N3C(=S)N(c4ccc(F)cc4)C4(C)CC3c3cccc(OC)c3O4)o2)ccc1F,DTBDXZNZJYXZKZ-UHFFFAOYSA-N
-rxn:4:202797:226844,COc1cccc2c1OC1(C)CC2N(C(=O)c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)o2)C(=S)N1c1ccc(F)cc1,OSPOZQRCSDPCGM-UHFFFAOYSA-N
-rxn:4:202807:222540,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2cccc(C(=O)NCCN3CCCCC3)c2)cc1,SASNYMRHGSYMMS-UHFFFAOYSA-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:4:202807:224865,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2ccc(CCN3CCCCC3)cc2)cc1,QAYIYGJLRGRABU-UHFFFAOYSA-N
-rxn:4:202841:223499,CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(-c3cccc(C(=O)CC#N)n3)ccc2Cl)CC1,UUFIHWAFLZIPGJ-UHFFFAOYSA-N
-rxn:4:203101:223536,CC(C)CSc1ncc(-c2cc(F)c(F)c(N3CCN(C(=O)OC(C)(C)C)CC3)c2)cn1,XQEVCPJGTHLWQZ-UHFFFAOYSA-N
-rxn:4:203403:223669,COC1CN(C(=O)c2ncc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)nc3)cc2F)C1,SYAIIGNSFZRBJE-UHFFFAOYSA-N
-rxn:4:203404:223499,COc1cnn(Cc2cc(F)cc(-c3ccc(Cl)c(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c3)c2)c1,DGISRBCFBAUGCK-UHFFFAOYSA-N
-rxn:4:203624:223904,COC(=O)c1c(-c2cccc(C3CN(C(=O)OC(C)(C)C)C3)c2)c(C(C)(C)C)nn1C,IHMIMRXQVPOEIC-UHFFFAOYSA-N
-rxn:4:203647:222538,COC(=O)c1nc(N2CCOCC2)ccc1-c1cc(C2CCCC2)nc(C2CCNCC2)c1,JYSIKGFSPMRCJN-UHFFFAOYSA-N
-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:4:203703:224125,O=C(c1ncc(-c2ccc(CN3CCN(C4CC4)CC3)cc2)cc1Cl)N1CCC(C(F)(F)F)CC1,VZAQFKULAIRYOO-UHFFFAOYSA-N
-rxn:4:203724:222716,O=S(=O)(NN1CCCCC1)c1ccc(-c2ccc(S(=O)(=O)NC3CCCC3)c(F)c2)cc1,MMHSFOMEBYITNY-UHFFFAOYSA-N
-rxn:4:203825:224609,CC(C)N(C(=O)c1ccncc1-c1ccc(C(=O)N2CCN(S(C)(=O)=O)CC2)cc1)C(C)C,YDIQBZLNXFJTFQ-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:4:203878:224291,CC1CCN(Cc2cc([N+](=O)[O-])ccc2-c2ccc(OCCN3CCOCC3)c(F)c2)CC1,ZVUPTGXBXUPPAS-UHFFFAOYSA-N
-rxn:4:203884:222729,CCCc1cc(-c2ccc(CS(=O)(=O)N3CCN(C)CC3)cc2)cc(C2CCCNC2)n1,PPLFXDSVHLOYNK-UHFFFAOYSA-N
-rxn:4:203889:224586,COC(=O)c1ccc(-c2cc(F)ccc2CN2CCC(C)CC2)cc1N1CCN(C)CC1,FUVMPTQEQGZBRZ-UHFFFAOYSA-N
-rxn:4:203889:224593,COC(=O)c1ccc(-c2ccc(F)c(CN3CCC(C)CC3)c2)cc1N1CCN(C)CC1,JEIILGATZZWVEF-UHFFFAOYSA-N
-rxn:4:203937:225122,CC(C)(C)[Si](C)(C)Oc1cncc(-c2ccccc2S(=O)(=O)N2CC(N3CCCC3)C2)c1,MMLWIMUNWLZCQW-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:4:203942:226844,COc1cc(OC)c(-c2ccnc(C(=O)C(F)(F)F)c2)cc1C=C1C(=O)N(C)C(=S)N1C,QODHTDSJDJWYJA-UHFFFAOYSA-N
-rxn:4:203976:226844,CC(=O)N1CCN(S(=O)(=O)c2cc(C)c(-c3ccnc(C(=O)C(F)(F)F)c3)cc2Cl)CC1,WXQPTOPJSLQHLN-UHFFFAOYSA-N
-rxn:4:203986:223179,CONC(=O)c1cc(-c2ccc(Cl)c(C(=O)N3CCC(N4C(=O)CSC4=O)CC3)c2)ccc1F,IYIQGTXEVUZRIR-UHFFFAOYSA-N
-rxn:4:203986:223279,O=C(c1cc(-c2cnc(C3CCCN3)nc2)ccc1Cl)N1CCC(N2C(=O)CSC2=O)CC1,XCYPCWANVZGMNJ-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:4:204010:224018,CS(=O)(=O)N1CCCC(Cc2cccc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCOCC3)n2)CC1,VLWBFRXATHGWPO-UHFFFAOYSA-N
-rxn:4:204015:222524,CCN1CCN(S(=O)(=O)c2cc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCC(O)CC3)ccc2C)CC1,NFQNEWLAZOTXQS-UHFFFAOYSA-N
-rxn:4:204027:225308,C[C@H]1CN(S(C)(=O)=O)CCN1Cc1ccccc1-c1cc(C(F)(F)F)cc(C2CC2)c1Cl,LCFJSGOIHPVHKA-HNNXBMFYSA-N
-rxn:4:204046:223179,CONC(=O)c1cc(-c2ccccc2S(=O)(=O)N2CCC(N3C(=O)CSC3=O)CC2)ccc1F,PJNMWVRXHIBTIX-UHFFFAOYSA-N
-rxn:4:204046:226264,CCCCOc1ccc(-c2ccccc2S(=O)(=O)N2CCC(N3C(=O)CSC3=O)CC2)c(F)c1,UMHLDYWQZCIDSS-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:4:204109:223438,O=C1COCC(=O)N1C1CCN(S(=O)(=O)c2ccccc2-c2cn[nH]c2C(F)(F)F)CC1,YBQSOXOPCMHSDN-UHFFFAOYSA-N
-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:4:204114:223279,O=C(c1ccc(-c2cnc(C3CCCN3)nc2)o1)N1CCCN(C2CCSCC2)CC1,KVDCZGNUAYBPNH-UHFFFAOYSA-N
-rxn:4:204115:223696,O=S(=O)(c1ccc(-c2ccccc2S(=O)(=O)N2CCCN(C3CCC3)CC2)cc1)N1CCC2(CC1)OCCO2,CQFKSULMDQVNLM-UHFFFAOYSA-N
-rxn:4:204116:223179,CONC(=O)c1cc(-c2cccc(C(=O)N3CCCN(C4CCOC4)CC3)c2)ccc1F,DMFORMJYFFSUFT-UHFFFAOYSA-N
-rxn:4:204121:223179,CONC(=O)c1cc(-c2ccc(Cl)c(C(=O)N3CCCN(C4CCOC4)CC3)c2)ccc1F,FQQLKWMBLCJIBC-UHFFFAOYSA-N
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-rxn:4:204158:224819,Cc1ccc(N2CCN(S(=O)(=O)c3cc(C)c(-c4ccc(S(=O)(=O)N5CCOCC5)cc4)cc3Cl)CC2)cc1,YKQCLFSZDPNNEO-UHFFFAOYSA-N
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-rxn:4:204169:226382,CC1CN(Cc2ccc(-c3cnc(C4CCCCC4)nc3)cc2N2CCCCC2)CCO1,DOLFKVFZSMQRGJ-UHFFFAOYSA-N
-rxn:4:204169:226844,CC1CN(Cc2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2N2CCCCC2)CCO1,YFPPVOGXBXMZCE-UHFFFAOYSA-N
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-rxn:4:204604:222792,CC(C)(C)OC(=O)Nc1ccc(F)c(-c2cnc3c(c2)CCN(C(=O)OC(C)(C)C)C3)c1,XUDTUNRQKXQFSW-UHFFFAOYSA-N
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-rxn:4:204682:225061,Cc1cc2c(c(-c3ccc(N4CCC(C)CC4)cc3F)n1)CN(C(=O)OC(C)(C)C)CC2,JZFYPERTFAAMMM-UHFFFAOYSA-N
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-rxn:4:204700:224586,CC1CCN(Cc2ccc(F)cc2-c2ccc(C(=O)N3CC(N4C(=O)C5CC=CCC5C4=O)C3)o2)CC1,PAWATDAMXUGCHI-UHFFFAOYSA-N
-rxn:4:204706:224485,CC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2ccc(N3C(=NC(=O)C4CC4)SC4CS(=O)(=O)CC43)c(F)c2)c1,PMOIDTNGMAJSKI-UHFFFAOYSA-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
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-rxn:4:204740:223904,CCN1C(=O)C(=C2SC(=S)N(CC(C)C)C2=O)c2cc(-c3cccc(C4CN(C(=O)OC(C)(C)C)C4)c3)ccc21,WQYHWVXXVLLBKB-UHFFFAOYSA-N
-rxn:4:204740:228746,CCN1C(=O)C(=C2SC(=S)N(CC(C)C)C2=O)c2cc(-c3cccc(C#N)c3Cl)ccc21,UPLIYVWMVXIGAR-UHFFFAOYSA-N
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-rxn:4:204764:228232,O=C1C2CC=CCC2C(=O)N1C1CN(S(=O)(=O)c2ccc(-c3cnc(Cl)c(C4CC4)c3)cc2)C1,HCBOSOCSUPOZAT-UHFFFAOYSA-N
-rxn:4:204764:228234,O=C1C2CC=CCC2C(=O)N1C1CN(S(=O)(=O)c2ccc(-c3c(C4CC4)ccnc3F)cc2)C1,AKASHSQBQDCWDS-UHFFFAOYSA-N
-rxn:4:204764:228236,O=C1C2CC=CCC2C(=O)N1C1CN(S(=O)(=O)c2ccc(-c3ccnc(F)c3C3CC3)cc2)C1,BFWDZGRDVJRWPH-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:4:204785:223179,CCN1C(=O)C(=C2SC(=S)N(CC3CCCO3)C2=O)c2cc(-c3ccc(F)c(C(=O)NOC)c3)ccc21,FJQRIQKIKOOXTB-UHFFFAOYSA-N
-rxn:4:204799:226844,O=C(C1=CN(c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2)c2cc(F)ccc2S1(=O)=O)N1CCCC1,ASGPSBPZZCHEEE-UHFFFAOYSA-N
-rxn:4:204804:223185,O=C1CCC(=O)N1C1CC2CCC(C1)N2S(=O)(=O)c1ccccc1-c1cnc(C2CNCCO2)nc1,OWPDVKGTEVBAAD-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:4:204808:223279,O=C(C1=CN(c2ccc(-c3cnc(C4CCCN4)nc3)cc2)c2cc(Cl)ccc2S1(=O)=O)N1CCOCC1,KQMFAIJPYGCLHU-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:4:204830:223179,CONC(=O)c1cc(-c2cccc(N3C=C(C(=O)N4CCCCC4)S(=O)(=O)c4ccccc43)c2)ccc1F,SWTJYHKZZJTTJC-UHFFFAOYSA-N
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-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
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-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:4:204845:226844,Cc1cc(C)cc(N2C(=O)N(Cc3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3F)C3CS(=O)(=O)CC32)c1,AJEMKODQKNOTOB-UHFFFAOYSA-N
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-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:4:204866:223279,CC1CCN(C(=O)C2=CN(c3ccc(-c4cnc(C5CCCN5)nc4)cc3)c3ccccc3S2(=O)=O)CC1,UHEKENJATLZDJM-UHFFFAOYSA-N
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-rxn:4:210833:223841,Cc1cc(F)c(-c2cnn(C)c2C23CCCCC2O3)cc1S(=O)(=O)N1CCN(C)CC1,GWMSVEOPYPGMQE-UHFFFAOYSA-N
-rxn:4:211100:223064,CC1CCC2(CC1)Oc1ccc(-c3ccc(C4CCNCC4)nc3F)cc1C1CC(c3ccc(Cl)cc3)=NN12,RLBPGAGVFAMVTH-UHFFFAOYSA-N
-rxn:4:211101:223061,Cc1ccc(C2=NN3C(C2)c2cc(-c4cc(C5CCNCC5)ncc4F)ccc2OC32CCC(C)CC2)cc1,BKQDDBDVQTUJFC-UHFFFAOYSA-N
-rxn:4:212526:223179,CONC(=O)c1cc(-c2cc([N+](=O)[O-])ccc2OCCN2CCC(C#N)CC2)ccc1F,DLWBBEYYQSQSOA-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:4:212527:224377,CN1CCN(S(=O)(=O)c2ccc(-c3cnn(CC4CN(C(=O)COc5ccc(Cl)cc5)C4)c3)cc2)CC1,ZJERSVDXPNLFGL-UHFFFAOYSA-N
-rxn:4:212542:223872,CCOCC(=O)N1CCCC(Oc2ncc(-c3cccc(C(=O)N(CC)C4CCCCC4)c3)cn2)C1,QODVVSLHXUEPOX-UHFFFAOYSA-N
-rxn:4:212542:225191,CCOCC(=O)N1CCCC(Oc2ncc(-c3cnc(OC4CCCCC4)cc3F)cn2)C1,ITRFHJZHHPULLK-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:4:212593:223776,CN(C(=O)c1ccc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)CCO3)nc1)C1CN(C(=O)OC(C)(C)C)C1,NJQANBHKMDCLOE-UHFFFAOYSA-N
-rxn:4:212593:227549,COC(=O)c1cc(Cl)ccc1-c1ccc(C(=O)N(C)C2CN(C(=O)OC(C)(C)C)C2)cn1,TUNYJRYURHHFPB-UHFFFAOYSA-N
-rxn:4:212602:224251,CC1CCCN(C(=O)c2ccc(-c3cnc(OC4CCN(C(=O)COc5ccccc5)CC4)nc3)c(F)c2)C1,VYZTWXCGNURJPD-UHFFFAOYSA-N
-rxn:4:212605:223279,Cn1cc(-c2cnc(C3CCCN3)nc2)c(OCC2CCN(C(=O)OC(C)(C)C)C2)n1,WYXFQMIGZCZHDF-UHFFFAOYSA-N
-rxn:4:212605:226844,Cn1cc(-c2ccnc(C(=O)C(F)(F)F)c2)c(OCC2CCN(C(=O)OC(C)(C)C)C2)n1,PQHACLLQDJGTBC-UHFFFAOYSA-N
-rxn:4:212606:226844,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:4:212629:226331,N#CC1(c2ccc(-c3cncc(C(=O)N4CCC(COc5cccc(C(F)(F)F)n5)CC4)c3)c(F)c2)CC1,RDBZVAUTCSFFOY-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:4:212631:225008,COC1CCN(c2ccc(-c3cncc(C(=O)N4CCC(COc5ncccc5C(F)(F)F)CC4)c3)cc2)CC1,FVDRHAZNARBYTN-UHFFFAOYSA-N
-rxn:4:212635:223179,CONC(=O)c1cc(-c2cnn(C)c2CN(C(=O)OC(C)(C)C)C2CCCC2)ccc1F,KVEHWLSCFBNIME-UHFFFAOYSA-N
-rxn:4:212636:223179,CONC(=O)c1cc(-c2cnn(CCC3CCN(C(=O)OC(C)(C)C)CC3)c2)ccc1F,CLYSHXLNAFKPGC-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:4:212639:223939,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:4:212641:223179,COCCN1C(=O)CN(C2CCN(C(=O)c3ccc(-c4ccc(F)c(C(=O)NOC)c4)o3)CC2)C1=O,HSLFFQRIHPWDDB-UHFFFAOYSA-N
-rxn:4:212645:226844,Cn1cc(-c2ccnc(C(=O)C(F)(F)F)c2)c(CN(C(=O)OC(C)(C)C)C2CCOCC2)n1,FVARKNDVSCYADI-UHFFFAOYSA-N
-rxn:4:212646:226844,Cn1ncc(-c2ccnc(C(=O)C(F)(F)F)c2)c1CN(C(=O)OC(C)(C)C)C1CCOCC1,YESGWHKIOLJKAX-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:4:212648:223179,CONC(=O)c1cc(-c2cn(C)nc2OCC2CCN(C(=O)OC(C)(C)C)CC2)ccc1F,YOOYTKCVOAOEEY-UHFFFAOYSA-N
-rxn:4:212648:226766,Cc1ccc(OC(F)(F)F)c(-c2cn(C)nc2OCC2CCN(C(=O)OC(C)(C)C)CC2)c1,UWQKAIBLDSODDS-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:4:212653:226844,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:4:212653:226848,COC(=O)c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)c(-c2ccc(OC)nc2C(F)(F)F)n1,YZDLIVLMCWFLKV-UHFFFAOYSA-N
-rxn:4:212655:223279,COC(=O)c1cc(-c2cnc(C3CCCN3)nc2)cnc1N1CCN(C(=O)OC(C)(C)C)CC1,IYIODGJYLVZPSO-UHFFFAOYSA-N
-rxn:4:212656:223279,COC(=O)c1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)c(-c2cnc(C3CCCN3)nc2)c1,PZTNWINCSCZLLX-UHFFFAOYSA-N
-rxn:4:212680:222824,Cc1ccc(OCC2CCN(C(=O)Cc3ccc(F)cc3-c3cc(S(=O)(=O)NC(C)C)c(C)cc3F)CC2)nn1,OVSGQEVUABSZMI-UHFFFAOYSA-N
-rxn:4:212685:222957,COC(=O)c1ccc(N2CCN(S(=O)(=O)c3ccc(-c4cc(C)cc(C5CCCNC5)c4)cc3)CC2)c([N+](=O)[O-])c1,JZMNBAMJMFMYCG-UHFFFAOYSA-N
-rxn:4:212690:223179,CONC(=O)c1cc(-c2cnn(C)c2CN(C(=O)OC(C)(C)C)C2CCCCC2)ccc1F,BZIOMCYJCAGXKK-UHFFFAOYSA-N
-rxn:4:212691:226844,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:4:212693:223279,CC1CN(C(=O)OC(C)(C)C)CCN1C(=O)Cc1cncc(-c2cnc(C3CCCN3)nc2)c1,CVTRZZUBOWIWMD-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:4:212695:222887,Cn1ccnc1S(=O)(=O)C1CCN(C(=O)CCc2ccccc2-c2cccc(C(=O)N3CCNCC3)c2)CC1,BMGALNPQFQCOPC-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:4:212711:223179,CONC(=O)c1cc(-c2ccc(C(=O)N3CCC(COc4ccc(C(C)(C)C)nn4)CC3)o2)ccc1F,OXKJOCKZCANHSB-UHFFFAOYSA-N
-rxn:4:212722:222833,Cc1ccc(S(=O)(=O)N(Cc2ccc(-c3cccc(NC(=O)CCC(C)C)c3)cc2)C(=O)N2CCN(C)CC2)cc1,VMFJVYIPPNBFBD-UHFFFAOYSA-N
-rxn:4:212722:226180,Cc1ccc(S(=O)(=O)N(Cc2ccc(-c3cc(C)nc(C4CCCC4)c3)cc2)C(=O)N2CCN(C)CC2)cc1,OWIQIKVJPUAHIV-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:4:212740:224279,CC(C)(C)OC(=O)N1CCN(c2cc(CN3CCCCC3)cc(-c3ccc4c(c3)ncn4C(=O)OC(C)(C)C)c2)CC1,HHNZKAZZOOUDMT-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:4:212743:226844,CC(C)(C)OC(=O)N1CCC(CN2CCN(c3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3)CC2)CC1,SFDCXSCLBMIFHA-UHFFFAOYSA-N
-rxn:4:212744:228664,CC(C)(C)OC(=O)N1CCN(c2cc(CN3CCC(F)(F)CC3)cc(-c3ccc4scnc4c3)c2)CC1,PJBPYJKWFJCPRQ-UHFFFAOYSA-N
-rxn:4:212745:223279,CC1CN(c2cc(CN3CCOCC3)cc(-c3cnc(C4CCCN4)nc3)c2)CCN1C(=O)OC(C)(C)C,VVDAHKMOQCMNAY-UHFFFAOYSA-N
-rxn:4:212747:223179,CONC(=O)c1cc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3C)c(N3CCOCC3)c2)ccc1F,OIUPCHMCNKPRQC-UHFFFAOYSA-N
-rxn:4:212747:223279,CC1CN(C(=O)OC(C)(C)C)CCN1Cc1ccc(-c2cnc(C3CCCN3)nc2)cc1N1CCOCC1,XDIHNAIWXNZVAR-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:4:212750:226844,CC1CN(C(=O)OC(C)(C)C)CCN1Cc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1N1CCCCC1,ZMJBSJWTQBEWIK-UHFFFAOYSA-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:4:212769:226844,CCOC(=O)c1nc2n(c1-c1ccnc(C(=O)C(F)(F)F)c1)CCN(C(=O)OC(C)(C)C)C2,IJOGOFMLXCKBBY-UHFFFAOYSA-N
-rxn:4:212806:223179,COCCn1c(=NC(=O)c2ccc(N3C(=O)CCC3=O)cc2)sc2cc(-c3ccc(F)c(C(=O)NOC)c3)ccc21,AOKRKTJCGJSBDK-UHFFFAOYSA-N
-rxn:4:212808:226844,CCCCN1C(=O)C(=Cc2c(Oc3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3)nc3ccccn3c2=O)SC1=S,JBJDDOMWSNLBRU-UHFFFAOYSA-N
-rxn:4:212816:223506,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cccc(-c3ccc(S(=O)(=O)N4CCN(C(=O)CCc5c[nH]c6ccccc56)CC4)cc3)c2)CC1,CRYGFUBFIASGAG-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:4:212824:223179,CONC(=O)c1cc(-c2ccc3nc(N4CCN(C(=O)c5cc(OC)c(OC)c(OC)c5)CC4)sc3c2)ccc1F,UMLQHGLGFIWZOU-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:4:212843:223179,CONC(=O)c1cc(-c2ccc(N3CCN(C)CC3)c3c2CC[C@@H](N(Cc2ccccc2)Cc2ccccc2)C3)ccc1F,SHMPIOQNOLNOQY-SSEXGKCCSA-N
-rxn:4:212905:223777,CC(C)(C)OC(=O)N1CCc2c(ccc(-c3ccnc(OC4CN(C(=O)OC(C)(C)C)C4)n3)c2F)C1,MXLRMHMGKDYXGX-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:4:212943:226844,CCOC(=O)N1CCN(c2ncc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2C(F)(F)F)CC1,SQZVWNGECKMYJG-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:4:212989:225261,CCN(CC)S(=O)(=O)c1cccc(-c2ncc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)s2)c1,OTTICABDPMCWIH-UHFFFAOYSA-N
-rxn:4:212991:223179,CONC(=O)c1cc(-c2cnc(OCC3CCN(S(=O)(=O)C4CC4)CC3)nc2)ccc1F,SDOBEBROTQGZOD-UHFFFAOYSA-N
-rxn:4:212991:226333,O=C(c1cccc(-c2cnc(OCC3CCN(S(=O)(=O)C4CC4)CC3)nc2)c1)N1CCC1,KATWVSQZSRGCOL-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:4:212991:227657,O=S(=O)(C1CC1)N1CCC(COc2ncc(-c3ccc(N4CCOCC4)s3)cn2)CC1,DVGMNVSWIXOWNC-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:4:213038:223179,CONC(=O)c1cc(-c2c[nH]c(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)ccc1F,VOQQEDRSQJKPHD-UHFFFAOYSA-N
-rxn:4:213038:223279,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:4:213043:223179,CONC(=O)c1cc(-c2cnc(OC3CCCN(C(=O)OC(C)(C)C)C3)nc2)ccc1F,WWJZPVPRRMYAQP-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:4:213044:223591,CC(C)(C)OC(=O)N1CCC(Oc2ncc(-c3cc(N4CCN(C(=O)OC(C)(C)C)CC4)ccc3F)cn2)CC1,IMRLHUQKKLZZMH-UHFFFAOYSA-N
-rxn:4:213044:223602,CC(C)(C)OC(=O)N1CCC(Oc2ncc(-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3Cl)cn2)CC1,ZLHZNHRVHDCYGU-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:4:213046:226844,Cc1nc(OC2CCN(C(=O)OC(C)(C)C)C2)ncc1-c1ccnc(C(=O)C(F)(F)F)c1,CUAJWBJQIOTYQJ-UHFFFAOYSA-N
-rxn:4:213048:224752,COc1ccc(S(=O)(=O)N2CC(Cn3cc(-c4ccc(S(=O)(=O)N5CCCC5)cc4C)cn3)C2)cc1C,PERUIDHJGONLJW-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:4:213061:222905,CC(C)(C)OC(=O)Nc1ncccc1-c1ccc(S(=O)(=O)N2CCC(Oc3ncccc3C#N)CC2)cc1,XMNLSFKOKJMJHF-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:4:213072:226844,CC(C)(C)OC(=O)N1CCCC(Cn2cc(-c3ccnc(C(=O)C(F)(F)F)c3)cn2)C1,JBXHRWGUJLBSIE-UHFFFAOYSA-N
-rxn:4:213074:225267,CCCOc1ccc(-c2nccn2CC2CCN(C(=O)OC(C)(C)C)CC2)c(C(F)(F)F)c1,DXHUOYQQETVXIA-UHFFFAOYSA-N
-rxn:4:213074:225600,CC(C)(C)OC(=O)N1CCC(Cn2ccnc2-c2cccnc2OC2CCCCC2)CC1,ZMUMJAZWEHURCG-UHFFFAOYSA-N
-rxn:4:213080:223536,CC(C)(C)OC(=O)N1CCN(C(=O)c2cncc(-c3cc(F)c(F)c(N4CCN(C(=O)OC(C)(C)C)CC4)c3)c2)CC1,OYLMRECJXROOIO-UHFFFAOYSA-N
-rxn:4:213080:226874,CC(C)(C)OC(=O)N1CCN(C(=O)c2cncc(-c3c(Cl)cccc3OC(F)(F)F)c2)CC1,OLMTYRPBEVBCCT-UHFFFAOYSA-N
-rxn:4:213093:227626,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(C4CCOC4)nc3)c(C#N)c2)CC1,LYPHMQPZBIZBLC-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:4:213095:226844,CC(C)(C)OC(=O)N1CCN(c2ccc(C#N)cc2-c2ccnc(C(=O)C(F)(F)F)c2)CC1,SUIMUEXRJALJMU-UHFFFAOYSA-N
-rxn:4:213096:223648,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc(C#N)c(N4CCN(C(=O)OC(C)(C)C)CC4)c3)cc2)CC1,RNTYOGRTCGTGFF-UHFFFAOYSA-N
-rxn:4:213097:226327,CC(C)(C)OC(=O)N1CCC(C#N)(c2ccc(-c3ccc(C4(C#N)CC4)cc3Cl)cn2)CC1,LXNLEINUKZETID-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:4:213099:223279,CC(C)(C)OC(=O)N1CCC(n2ncc(-c3cnc(C4CCCN4)nc3)c2C(F)(F)F)CC1,DFKMQWJAHHVEHC-UHFFFAOYSA-N
-rxn:4:213100:226502,CC(C)(C)OC(=O)N1CCC(n2cc(-c3ccn(C(=O)OC(C)(C)C)c3)c(C(F)(F)F)n2)CC1,KWSFTAUADUDNGZ-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:4:213116:225312,CN1CCCN(c2ncc(-c3cnc(OCC4CCCN(S(=O)(=O)c5ccc(F)cc5)C4)nc3)cn2)CC1,LBOZYCXKODDLOB-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:4:213126:226844,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)nc2)CC1,SEAICPQXQZBEPO-UHFFFAOYSA-N
-rxn:4:213127:223175,CCS(=O)(=O)Nc1cccc(-c2ccnc(CN3CCN(C(=O)OC(C)(C)C)CC3)c2)c1,SIZZJRHCALNDEZ-UHFFFAOYSA-N
-rxn:4:213127:224158,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3ccc4c(ccn4C(=O)OC(C)(C)C)c3)ccn2)CC1,SKMBOHNIZBBSHP-UHFFFAOYSA-N
-rxn:4:213131:223179,CONC(=O)c1cc(-c2cnc(OCC3CCN(C(=O)C(C)(C)C)CC3)nc2)ccc1F,JIPPSULOJGVOSX-UHFFFAOYSA-N
-rxn:4:213131:226844,CC(C)(C)C(=O)N1CCC(COc2ncc(-c3ccnc(C(=O)C(F)(F)F)c3)cn2)CC1,ZKFUNTXBDHVGNR-UHFFFAOYSA-N
-rxn:4:213134:224734,CCC(C)(C)C(=O)N1CCC(Oc2ncc(-c3ccc(C(F)(F)F)cc3OCC3CC3)cn2)CC1,DYJPJQULWMRZAZ-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:4:213140:223179,CONC(=O)c1cc(-c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)cc([N+](=O)[O-])c2)ccc1F,BWUZZVHSKICRIU-UHFFFAOYSA-N
-rxn:4:213141:223279,CC(C)(C)OC(=O)N1CCN(c2ccc([N+](=O)[O-])c(-c3cnc(C4CCCN4)nc3)c2)CC1,CRZNNULSWJGSKH-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:4:213147:223279,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cncc(-c3cnc(C4CCCN4)nc3)c2)CC1,IURBPQRWBDTXCV-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:4:213172:222855,COc1cc(-c2ccc(S(=O)(=O)N3CCC(CSc4nccn4C)CC3)cc2)cc(C2CCCNC2)c1,GZMRIBIETOADBW-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:4:213201:224255,Cc1cc(OCC2CCN(S(=O)(=O)c3ccccc3-c3cc(F)cc(C(=O)N4CCCC(C)C4)c3)CC2)ncn1,OMTFCKUNWSYABW-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:4:213214:223279,CCN1CCN(c2cc(C(=O)OC(C)(C)C)cc(-c3cnc(C4CCCN4)nc3)n2)CC1,BYBYRRZLCIZZJZ-UHFFFAOYSA-N
-rxn:4:213215:223279,c1nc(OCC2CCN(CC3CCOCC3)CC2)ncc1-c1cnc(C2CCCN2)nc1,VOTFPJMGIDDGHG-UHFFFAOYSA-N
-rxn:4:213215:226844,O=C(c1cc(-c2cnc(OCC3CCN(CC4CCOCC4)CC3)nc2)ccn1)C(F)(F)F,NLGYRILENLAQIA-UHFFFAOYSA-N
-rxn:4:213218:223776,C[C@H]1CN(Cc2ccc(-c3ccc4c(c3)CN(C(=O)OC(C)(C)C)CCO4)cn2)CCN1C(=O)OC(C)(C)C,VEHCJWLQHPRNOP-NRFANRHFSA-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:4:213221:226844,CC1CN(C(=O)OC(C)(C)C)CCN1c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1[N+](=O)[O-],VCCVHXOUDUNKJG-UHFFFAOYSA-N
-rxn:4:213228:223532,CC1CN(S(=O)(=O)c2cncc(-c3cc(F)cc(CN4CCN(C(=O)OC(C)(C)C)CC4)c3)c2)CCN1C(=O)OC(C)(C)C,HMSHVONXNGLIFE-UHFFFAOYSA-N
-rxn:4:213228:227911,CCc1ccc(-c2cncc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)C(C)C3)c2)cc1C#N,UNDMMFSTYJYLRO-UHFFFAOYSA-N
-rxn:4:213236:224885,COc1ccc(S(=O)(=O)N2CCCC(Oc3ncc(-c4ccccc4CN4CCC(C)CC4)cn3)C2)cc1C,AOSIANLXEYNJGZ-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:4:213259:223179,CONC(=O)c1cc(-c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)C(C)(C)C3)cn2)ccc1F,LSFVQOSMZKHBNA-UHFFFAOYSA-N
-rxn:4:213260:223179,CONC(=O)c1cc(-c2cnc(OCC3CCCN(CC4CCS(=O)(=O)CC4)C3)nc2)ccc1F,YJGALEVQFIJUOJ-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:4:213268:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2ccc(-c3c[nH]c([C@@H]4C[C@H](C)CN4C(=O)OC(C)(C)C)n3)cc2)cc1,QXXRYNWWCZGERG-DFBJGRDBSA-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:4:213273:224198,CCN1CCN(Cc2ccc(-c3cnccc3OC3CCN(C(=O)c4ccc(N5CCOCC5)cc4)C3)c(F)c2)CC1,QZKGHWHVQCICSV-UHFFFAOYSA-N
-rxn:4:213280:223179,CONC(=O)c1cc(-c2ccc(CN3CCN(CC(F)(F)F)CC3)c(N3CCCCC3)c2)ccc1F,QJCHQMKPXBBDDT-UHFFFAOYSA-N
-rxn:4:213281:228299,CCOC(=O)c1csc(-c2cccnc2OC2CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)CC2)c1,QVBDUFXVBNVBFB-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:4:213289:223527,CC(C)(C)OC(=O)N1CCC(c2nc(C(C)(C)C)ncc2-c2ccc(F)cc2CN2CCN(C(=O)OC(C)(C)C)CC2)CC1,YZIDBYIKKYSUDR-UHFFFAOYSA-N
-rxn:4:213289:228746,CC(C)(C)OC(=O)N1CCC(c2nc(C(C)(C)C)ncc2-c2cccc(C#N)c2Cl)CC1,LPYAQTIITQHVFM-UHFFFAOYSA-N
-rxn:4:213290:223179,CONC(=O)c1cc(-c2cnc(OC3CCCN(C(=O)C4(c5ccccc5)CCOCC4)C3)nc2)ccc1F,LUXUBDTXLWCDSJ-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:4:213320:225746,COC(=O)c1nc(-c2cccnc2C(=O)OC(C)(C)C)n2c1CN(C(=O)OC(C)(C)C)CC2,XJCPOHDXALBXEQ-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:4:213327:223593,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc(-c4nc5sccn5c4C=NOCc4c(F)cccc4Cl)cc3)cc2Cl)CC1,FDFYKGATHJEPPU-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:4:213349:223646,CC(C)(C)OC(=O)N1Cc2c(-c3ccc(OC4CCN(C(=O)OC(C)(C)C)C4)cc3)nn(Cc3ccccc3)c2C1,XXNSLJKBJZVGII-UHFFFAOYSA-N
-rxn:4:213354:226440,CC(C)(C)OC(=O)N1C2CC1CN(Cc1ccc(-c3cc(F)nc(C4CCCC4)c3)cn1)C2,UZXHFSFYIVCIAB-UHFFFAOYSA-N
-rxn:4:213387:225876,CC(C)(C)OC(=O)N1CCC(Cn2cnc3cc(-c4cc(Cl)ccc4N4CCOCC4)ccc32)CC1,LVJWKIBEGIDHFS-UHFFFAOYSA-N
-rxn:4:213388:223581,COC(=O)c1cccc2cc(-c3ccnc4c3ccn4CC3CCN(C(=O)OC(C)(C)C)CC3)n(C(=O)OC(C)(C)C)c12,GMJQYSXDQICTNM-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:4:213395:222466,O=C(Cn1ccc2ccc(-c3cc(C4CCCCC4)nc(C4CCNCC4)c3)cc21)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1,SAGPLJBLMKMXBK-UHFFFAOYSA-N
-rxn:4:213395:224010,COc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1ccc2ccn(CC(=O)N3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)c2c1,WDBNHCREHXTNSZ-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:4:213412:223279,CC(C)CS(=O)(=O)C1CCN(C(=O)c2c3ccc(-c4cnc(C5CCCN5)nc4)cc3nn2C)CC1,PWTOTHMWOYMEKV-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:4:213413:223279,CC1CN(C(=O)c2cc3cc(-c4cnc(C5CCCN5)nc4)ccc3[nH]2)CCN1C(=O)OC(C)(C)C,BSPDQGJUTLWBJJ-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:4:213421:223179,CONC(=O)c1cc(-c2ccc(CC(=O)N3CCC(Cn4nc5c(cc4=O)CCC5)CC3)cc2)ccc1F,YGCWUOKFLZYBBA-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:4:213439:226844,O=C(Cn1ccc2c(-c3ccnc(C(=O)C(F)(F)F)c3)cccc21)N1CCN(C(=O)C2COc3ccccc3O2)CC1,WHFCFGLOEWVJTC-UHFFFAOYSA-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:4:213480:226844,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:4:213653:223179,CONC(=O)c1cc(-c2cncc(C(=O)N3CC(CN4C(=O)COC4=O)C3)c2)ccc1F,NAGQDGDLNRNMAH-UHFFFAOYSA-N
-rxn:4:213660:223562,CCOC(=O)N1CCN(c2ccc(-c3ccc(CC4CCN(C(=O)OC(C)(C)C)CC4)cc3)cn2)CC1,KRAZIASUSKSPNJ-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:4:213693:223179,CONC(=O)c1cc(-c2cnn(C(C)C(=O)N3CCCC(C(F)(F)F)C3)c2)ccc1F,LEBCYTJQCJQDRZ-UHFFFAOYSA-N
-rxn:4:213721:223534,CC(C)(C)OC(=O)N1CCC(Oc2cc(-c3ccn(C4CCN(C(=O)OC(C)(C)C)C4)n3)c(F)cn2)CC1,XAWGBFSRUPCKCV-UHFFFAOYSA-N
-rxn:4:213766:222857,COc1cc(-c2coc(N3CCN(C(=O)OC(C)(C)C)CC3)n2)cc(C2CCNCC2)c1,NAEQMWOWIWHCRE-UHFFFAOYSA-N
-rxn:4:213778:224817,CCN1CCN(c2ccc(-c3ccccc3S(=O)(=O)N3CCOCC3)c(C(=O)OC)n2)CC1,TZNCLZPFBDEJJD-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:4:213844:226844,CC(C)(C)OC(=O)N1CCN(c2cccc(-c3ccnc(C(=O)C(F)(F)F)c3)n2)C(=O)C1,LAXCWZKRMSIEDE-UHFFFAOYSA-N
-rxn:4:213874:222707,CC(C)(C)OC(=O)NCc1nccc(-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)c1F,BAYADACQVFBPIN-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:4:213884:225605,Cc1cnc(OC2CCCC2)c(-c2nccc(C3CCN(C(=O)OC(C)(C)C)CC3)n2)c1,IKXADOIPHRBRKF-UHFFFAOYSA-N
-rxn:4:213888:223933,CC(C)(C)OC(=O)N1CCCC(c2cncc(-c3cc4cc(F)ccc4n3C(=O)OC(C)(C)C)n2)C1,QVDMQACMXSKBJW-UHFFFAOYSA-N
-rxn:4:213893:225709,CN(C)CCCOc1ccc(-c2cncc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)cn1,MXNHZLBYPXVBRQ-UHFFFAOYSA-N
-rxn:4:213901:224270,CC(C)(C)OC(=O)N1CCN(c2nc(Cl)ccc2-c2cn(C(=O)OC(C)(C)C)c3ncccc23)CC1,SWTQQMOKMYPIIV-UHFFFAOYSA-N
-rxn:4:213905:223505,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCC(Cn5ccnc5)CC4)cc3)cc2)CC1,IHPFSMIFFDALQX-UHFFFAOYSA-N
-rxn:4:213910:226844,O=C(c1cc(-c2cccnc2OC2CCN(S(=O)(=O)N3CCOCC3)C2)ccn1)C(F)(F)F,VKICJOMUTGYGQF-UHFFFAOYSA-N
-rxn:4:213910:227240,CC(=O)OCc1ccc(-c2cccnc2OC2CCN(S(=O)(=O)N3CCOCC3)C2)cc1,CHIRFDDFFCNLFZ-UHFFFAOYSA-N
-rxn:4:213931:227575,COc1ccc(OC)c(-c2cc(C(F)(F)F)cnc2N2CCOC(C(=O)N3CCCC3)C2)c1F,BFJBHUNCTPTAGO-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:4:213932:226844,O=C(C1CN(c2ncc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2C(F)(F)F)CCO1)N1CCCC1,ANLLFLGYHSTFCR-UHFFFAOYSA-N
-rxn:4:213938:222985,Cc1nc(C2CCCNC2)ccc1-c1ccc(S(=O)(=O)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1,KKVUOLVXQWBQIF-UHFFFAOYSA-N
-rxn:4:213940:223179,CONC(=O)c1cc(-c2cnn(C)c2C2CCCN(C(=O)OC(C)(C)C)C2)ccc1F,PJGHWZVPWLHOPK-UHFFFAOYSA-N
-rxn:4:213945:226844,CC1CN(C(=O)OC(C)(C)C)CCC1n1cnc(-c2ccnc(C(=O)C(F)(F)F)c2)c1,LCPAUPNCZLKHAM-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:4:213972:224805,CCOC(=O)c1cc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)c(C(F)(F)F)c2)cc(C(F)(F)F)c1,YDNNMOJNXXTGON-UHFFFAOYSA-N
-rxn:4:213974:226770,COC(=O)c1cc(-c2cccc(N3CCCN(C(=O)OC(C)(C)C)CC3)n2)c(F)cc1Cl,ONMJCDLFGQUISA-UHFFFAOYSA-N
-rxn:4:213975:226493,COCCOc1ccc(-c2ccc(N3CCCN(C(=O)OC(C)(C)C)CC3)cn2)c(Cl)c1,OPHZDXVBNJNSMG-UHFFFAOYSA-N
-rxn:4:213980:223507,CC1CN(C(=O)OC(C)(C)C)CCC1c1nccc(-c2ccccc2S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)n1,OTJUETYVBHAVAS-UHFFFAOYSA-N
-rxn:4:213981:223179,CONC(=O)c1cc(-c2nccc(C3CCN(C(=O)OC(C)(C)C)CC3C)n2)ccc1F,CSNDGSRXXWGFGG-UHFFFAOYSA-N
-rxn:4:213982:224624,CC1CN(C(=O)OC(C)(C)C)CCC1c1cc(-c2cc(Cl)ccc2C(=O)OCC(C)(C)C)ncn1,HYTUHFWBFIQBCW-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:4:213985:226844,Cc1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)c(-c2ccnc(C(=O)C(F)(F)F)c2)c1,TXULPYDFGOBYSE-UHFFFAOYSA-N
-rxn:4:213988:226844,CC(C)(C)OC(=O)N1CCCN(c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cn2)CC1,NCIHTGAZESUCLW-UHFFFAOYSA-N
-rxn:4:213990:225560,Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1-c1cccc(COC2CCOC2)c1,NKYGVYWOEKIZMT-UHFFFAOYSA-N
-rxn:4:213993:225379,CN1CCN(c2ncc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2C(=O)OC(C)(C)C)CC1,VOZVCIQQVMCFND-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:4:214001:226844,CC1CN(c2ncc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2F)CCN1C(=O)OC(C)(C)C,YRLQVNLHJMCUFN-UHFFFAOYSA-N
-rxn:4:214011:223834,Cc1cc(-c2ccc(S(=O)(=O)n3nc(C)c(S(=O)(=O)N4CCCC4)c3C)cc2)cc(C)c1S(=O)(=O)N1CCN(C)CC1,OMHVMLPFXWURLO-UHFFFAOYSA-N
-rxn:4:214024:223179,CONC(=O)c1cc(-c2cnc(OC3CCN(C(=O)C4CCC(F)(F)CC4)CC3)nc2)ccc1F,DWXYKIHJYPMZGD-UHFFFAOYSA-N
-rxn:4:214024:226844,O=C(C1CCC(F)(F)CC1)N1CCC(Oc2ncc(-c3ccnc(C(=O)C(F)(F)F)c3)cn2)CC1,RXFLTUVFSXQXFH-UHFFFAOYSA-N
-rxn:4:214026:226844,O=C(C1CCCN(c2ncc(C(F)(F)F)cc2-c2ccnc(C(=O)C(F)(F)F)c2)C1)N1CCOCC1,NNLGSIDRGCVHQP-UHFFFAOYSA-N
-rxn:4:214034:223179,CONC(=O)c1cc(-c2cccc(C(=O)N3CCN(C(=O)N4CCCCC4)CC3)c2)ccc1F,XJMBWOQVIQJJQM-UHFFFAOYSA-N
-rxn:4:214034:223279,O=C(c1cccc(-c2cnc(C3CCCN3)nc2)c1)N1CCN(C(=O)N2CCCCC2)CC1,QFYAOUALHOVJFX-UHFFFAOYSA-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:4:214042:223179,CONC(=O)c1cc(-c2ccc(C(=O)N3CCC(N4CC(=O)N(c5ccccc5)C4=O)CC3)o2)ccc1F,KAKCQKAIZLABAS-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:4:214049:223179,CONC(=O)c1cc(-c2ccc(CN3CCC(C#N)CC3)c(N3CCCCC3)c2)ccc1F,XGOGOFDJZBDPTL-UHFFFAOYSA-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:4:214054:226844,O=C1CN(C2CCN(S(=O)(=O)c3ccccc3-c3ccnc(C(=O)C(F)(F)F)c3)CC2)C(=O)N1C1CC1,BUBMYSKYFQYQES-UHFFFAOYSA-N
-rxn:4:214056:223179,CONC(=O)c1cc(-c2ccccc2-c2ccc(C=C3SC(N4CCN(C(C)=O)CC4)=NC3=O)o2)ccc1F,OJHTZLCBCFZJAK-UHFFFAOYSA-N
-rxn:4:214058:223279,COC1CCN(C2CCN(C(=O)c3cncc(-c4cnc(C5CCCN5)nc4)c3)CC2)CC1,RPISUNGIHNLSMF-UHFFFAOYSA-N
-rxn:4:214062:223179,CCN1CCN(Cc2ccc(-c3ccc(F)c(C(=O)NOC)c3)cc2N2CCOCC2)CC1,UCFKAHMYJDSIEN-UHFFFAOYSA-N
-rxn:4:214062:223279,CCN1CCN(Cc2ccc(-c3cnc(C4CCCN4)nc3)cc2N2CCOCC2)CC1,SQJPURADXKMAPB-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:4:214065:226844,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:4:214069:223679,CCN1CCN(S(=O)(=O)c2c(C)cc(-c3ccc(-c4noc(C5CCCN(S(=O)(=O)c6ccc(C)cc6)C5)n4)cc3)cc2C)CC1,BCSLOYUUSLSFEF-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:4:214072:223179,CONC(=O)c1cc(-c2cccc(N3C(=O)CC(N4CCN(Cc5ccccc5)CC4)C3=O)c2)ccc1F,IFLJOCGHPBFSOE-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:4:214074:223279,Cc1nn(S(=O)(=O)c2ccc(-c3cnc(C4CCCN4)nc3)cc2)c(C)c1S(=O)(=O)N1CCCC(C)C1,SUBTTYSPRCBJPF-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:4:214081:226844,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:4:214085:223179,CONC(=O)c1cc(-c2ccc(C=C3N=C(C4CCCCC4)N(c4cc([N+](=O)[O-])ccc4C)C3=O)cc2)ccc1F,XMCVXRFMBGWWHH-UHFFFAOYSA-N
-rxn:4:214180:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3ccc4cc(C5CN(C(=O)OC(C)(C)C)C5)nn4c3)c2Cl)CC1,ABFNHMBHXUQPEI-UHFFFAOYSA-N
-rxn:4:214205:222537,C#CCn1c(C2CC(=O)N(c3ccc(-c4cc(C5CCCC5)nc(C5CCCNC5)c4)cc3)C2)nc2ccccc21,FMKAYIIVWYSBNM-UHFFFAOYSA-N
-rxn:4:214220:222780,CN(C)CCNC(=O)c1cc(F)cc(-c2ccc3[nH]c(C4CCCN4C(=O)OC(C)(C)C)nc3c2)c1,DCEFLRQCBUJOCP-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:4:214256:226844,CC(C)(C)OC(=O)N1CCc2c(c(-c3ccnc(C(=O)C(F)(F)F)c3)nn2C2CCOC2)C1,BRWRGRKXLHCPQJ-UHFFFAOYSA-N
-rxn:4:214273:223889,CC(C)(C)OC(=O)N1CCC(n2cnc3ccc(-c4cccc5c4CN(C(=O)OC(C)(C)C)CC5)cc32)CC1,RSTJTPCEKZCGMC-UHFFFAOYSA-N
-rxn:4:214273:225899,Cc1cc(-c2ccc3ncn(C4CCN(C(=O)OC(C)(C)C)CC4)c3c2)n(C(=O)OC(C)(C)C)n1,HWNQGJNXLIMPDS-UHFFFAOYSA-N
-rxn:4:214276:224710,CCCCOc1cc(-c2cnc3[nH]c(C4CCN(C(=O)OC(C)(C)C)CC4)cc3c2)cc(C(F)(F)F)c1,BIWPMXUAOATXMA-UHFFFAOYSA-N
-rxn:4:214284:223179,CONC(=O)c1cc(-c2cnn(C3CC4CCC(C3)N4S(=O)(=O)c3cc(F)ccc3OC)c2)ccc1F,RYIYGKVPXGPTCV-UHFFFAOYSA-N
-rxn:4:214304:223279,CC(C)(C)OC(=O)N1CCc2c(c(-c3cnc(C4CCCN4)nc3)nn2C2CCOCC2)C1,PMFGFBSHRBOYNC-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:4:214337:226844,CN(C1=NS(=O)(=O)c2ccccc21)C1CCN(Cc2cccc(-c3ccnc(C(=O)C(F)(F)F)c3)c2)CC1,IVWUGNHGWIJGRE-UHFFFAOYSA-N
-rxn:4:214349:223179,CONC(=O)c1cc(-c2ccc(C(=O)N3CCC(Cn4nc5c(cc4=O)CCCC5)CC3)cc2)ccc1F,MSOUSUZYBDBZAE-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:4:214379:223279,O=C(c1ccc(-c2cnc(C3CCCN3)nc2)o1)N1CCN(S(=O)(=O)c2cc3c4c(c2)CCN4C(=O)CC3)CC1,ZXBQOPCZELYBGK-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:4:214630:222719,O=C(c1[nH]nc(C2CC2)c1-c1cc(C2CCCNC2)nc(C(F)(F)F)c1)N1CCOCC1,IUNVNCROILLDMP-UHFFFAOYSA-N
-rxn:4:214707:222913,O=S(=O)(NCc1ccc(-c2cnn(C3CCN(S(=O)(=O)C4CC4)CC3)c2)cc1)C1CC1,OISMVZDTZZQCJP-UHFFFAOYSA-N
-rxn:4:214730:224760,O=S(=O)(c1ccc(-c2ccc(N3CCN(S(=O)(=O)C4CC4)CC3)nc2)cc1)N1CCCCC1,IEICQKOEZUZAKS-UHFFFAOYSA-N
-rxn:4:214752:222848,CCc1cc(-c2nc(C(=O)N3CCN(C(C)C)CC3)ccc2F)cc(C2CCCNC2)n1,WGLAQQSWWKOUOD-UHFFFAOYSA-N
-rxn:4:214805:223830,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(N4CCCN(S(=O)(=O)C5CC5)CC4)nc3)ccc2C)CC1,GWCAXUCRRVSTAB-UHFFFAOYSA-N
-rxn:4:214818:222938,O=C(NCC(F)(F)F)c1cccc(-c2cnc(N3CCN(C(=O)C4CCCO4)CC3)c(Cl)c2)c1,JXGMDOBWBGTYKK-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:4:214819:223179,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:4:214835:224992,O=C1CCN(Cc2ccccc2-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCOCC3)C2)CC1,LCLWHONGBJSFTH-UHFFFAOYSA-N
-rxn:4:214838:223697,O=C(C1CN(c2ncc(-c3ccc(S(=O)(=O)N4CCCCC4)cc3C(F)(F)F)cc2F)CCO1)N1CCOCC1,IXWYCSKQNKVGIS-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:4:214862:222447,COc1ccc2c(c1-c1cncc(C(=O)N3CCCN(C4CCSC4)CC3)c1)N=C(NC(=O)OC(C)(C)C)C2,WAAMTDVMJCQQPB-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:4:214868:223179,CONC(=O)c1cc(-c2cccnc2N2CCOC(C(=O)N3CCCCC3)C2)ccc1F,SVYLYTUDGACEPC-UHFFFAOYSA-N
-rxn:4:214871:224683,O=C(c1cc(F)cc(-c2cnc(N3CCCC(C(=O)N4CCOCC4)C3)c(Cl)c2)c1)N1CCCCC1,IHZIKAAAGZTSDU-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:4:214873:222988,Cc1cc(-c2cnc(N3CCCC(C(=O)N4CCOCC4)C3)c(F)c2)cc(C2CCNCC2)n1,CZNWRCMWDVKDHY-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:4:214875:223179,CONC(=O)c1cc(-c2cnc(N3CCCC(C(=O)N4CCSCC4)C3)c(F)c2)ccc1F,ZKCAGLUDTCOQIR-UHFFFAOYSA-N
-rxn:4:214880:226844,Cc1cc(-c2ccnc(C(=O)C(F)(F)F)c2)cnc1N1CCOC(C(=O)N2CCOCC2)C1,FVFDEUDACIOWMU-UHFFFAOYSA-N
-rxn:4:214881:223179,CONC(=O)c1cc(-c2cccnc2N2CCC(C(=O)N3CCC(F)(F)CC3)CC2)ccc1F,RVKBTRTUBNYVIT-UHFFFAOYSA-N
-rxn:4:214882:223179,CONC(=O)c1cc(-c2ccc(N3CCC(C(=O)N4CCC(F)(F)CC4)CC3)nc2)ccc1F,WUEJAKQJPYIQBV-UHFFFAOYSA-N
-rxn:4:214884:223179,CONC(=O)c1cc(-c2cc(Cl)cnc2N2CCC(C(=O)N3CCC(F)(F)CC3)CC2)ccc1F,NEEAPVHHPOEONL-UHFFFAOYSA-N
-rxn:4:214885:224169,O=C(C1CCN(c2ncc(-c3cccc(OCCCN4CCOCC4)c3)cc2Cl)CC1)N1CCC(F)(F)CC1,WSWIZZDWTWAAOW-UHFFFAOYSA-N
-rxn:4:214890:225833,O=C(c1cncc(-c2ccnc(N3CCCCC3)c2F)c1)N1CCCN(C2CCSCC2)CC1,BYGYDJCNFHGJBU-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:4:214899:226844,O=C1CC(N2CCN(c3ccc(F)cc3)CC2)C(=O)N1c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1,IYPISKSBGFZJNY-UHFFFAOYSA-N
-rxn:4:214985:223534,CCOC(=O)c1cc(C)n2ncc(-c3cc(OC4CCN(C(=O)OC(C)(C)C)CC4)ncc3F)c2n1,WYFACGHHPFECIQ-UHFFFAOYSA-N
-rxn:4:215059:223596,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)ccc2-c2cnn3c2CN(C(=O)OC(C)(C)C)CC3)CC1,PXBXTBDGNLXCNY-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:4:215216:226844,O=C(C1CCCN(c2nc3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3s2)C1)N1CCOCC1,PYIWULUHGZUUOJ-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:4:215228:223179,CONC(=O)c1cc(-c2ccc3nc(N4CCN(C(=O)C5CCCCC5)CC4)sc3c2)ccc1F,LENARKIAVZQKEZ-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:4:215232:226019,O=C(C1CCCN(c2ccc3ccc(-c4ccc(F)cc4OCC(F)(F)F)cc3n2)C1)N1CCOCC1,ZAUCZLIWSOHMPJ-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:4:215285:226844,COc1ccc(N2C(=O)C3C(C2=O)N2CCCN2C3c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2)cc1,XKOLMIWBIXIORE-UHFFFAOYSA-N
-rxn:4:215295:223179,CONC(=O)c1cc(-c2cnc3n2CCc2ccccc2C32CCN(C(=O)OC(C)(C)C)CC2)ccc1F,UKOMHLPLONDGFQ-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:4:215822:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3nc(C4CC4)cc(N4CCCC4)n3)ccn2)CC1,QWZYPAJEAFVWJN-UHFFFAOYSA-N
-rxn:4:215880:223838,CCN1CCN(c2ccc(-c3ccc(N4CCN(S(=O)(=O)N(C)C)CC4)cc3)cn2)CC1,ZINRGQGRHQBCAE-UHFFFAOYSA-N
-rxn:4:215891:223493,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1cc(N2CCN(C)CC2)ccc1[N+](=O)[O-],DMINWBYQWADELR-UHFFFAOYSA-N
-rxn:4:217034:223480,Cc1cc(-c2nncn2C2CCOCC2)cc(C)c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,GDKCJSDMVQCAQZ-UHFFFAOYSA-N
-rxn:4:217792:223528,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3csc4c(N5CCOCC5)nc(Cl)nc34)ccc2F)CC1,FGUNYDUQKWRBGW-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:4:217857:223999,CC1CCN(S(=O)(=O)c2ccc(F)c(-c3cnn(C)c3C34CCN(C)CC3O4)c2)CC1,ZLQRACXFCSSZJD-UHFFFAOYSA-N
-rxn:4:217858:223999,CC1CCN(S(=O)(=O)c2ccc(F)c(-c3cnn(C)c3C34CN(C)CC3(C)O4)c2)CC1,NOBIGBCLJONQTJ-UHFFFAOYSA-N
-rxn:4:217889:222628,c1nc(N2C3CCC2CC(=C2CC2)C3)ncc1-c1cc(C2CCC2)nc(C2CCCNC2)c1,DCWMKJPXRHTTRM-UHFFFAOYSA-N
-rxn:4:217894:223593,Cc1nn2c(C(F)(F)F)c3c(nc2c1-c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)c(Cl)c1)CCC3,VOZZAPIOKYHUNP-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:4:218587:223994,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cnc(OCC2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)nc1,HVYACOULXFOLAR-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:4:218603:226844,O=C(CN1C(=O)CCC1=O)N1CCCC(COc2ncc(-c3ccnc(C(=O)C(F)(F)F)c3)cn2)C1,LNZHJQALLMTFKF-UHFFFAOYSA-N
-rxn:4:218621:223179,CONC(=O)c1cc(-c2cnc(OC3CCN(S(=O)(=O)CCN4C(=O)CCCC4=O)C3)nc2)ccc1F,QGXLJXQKZLPIFA-UHFFFAOYSA-N
-rxn:4:218631:222488,Cc1ncc(NC(=O)OCc2ccccc2)cc1-c1cnc(OCC2CCN(C3CCN(CC(F)(F)F)C3=O)CC2)nc1,RDFHGNCHBDAJRR-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:4:218674:223179,CONC(=O)c1cc(-c2c(C)nn(CCC(=O)N3CCN(S(=O)(=O)c4ccccc4)CC3)c2C)ccc1F,WEFOEBQPSXAVLZ-UHFFFAOYSA-N
-rxn:4:218675:225757,COC(=O)c1cc(-c2cncc(C(=O)N3CCC(COc4cc(C5CCC5)ncn4)CC3)c2)cc(C(C)C)n1,CXJKYFUVNIGPNQ-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:4:218687:223179,CONC(=O)c1cc(-c2cncc(C(=O)N3CCC(COc4ccc(C(C)(C)C)nn4)CC3)c2)ccc1F,BSTBIGAGXITPAI-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:4:218706:223179,CONC(=O)c1cc(-c2c(C)nn(CCC(=O)N3CCN(S(=O)(=O)c4ccc(C)c(C)c4)CC3)c2C)ccc1F,ICUKZUPFLWOCCT-UHFFFAOYSA-N
-rxn:4:218706:226844,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:4:218710:223179,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:4:218711:223929,CC(C)(C)OC(=O)N1CCN(C2CCN(c3ccc([N+](=O)[O-])cc3-c3cnc4c(c3)CCN(C(=O)OC(C)(C)C)C4)CC2)CC1,LSPPKQCXPVCQBN-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:4:218712:226844,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:4:218729:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(-c2nc3sccn3c2C=NOCC(=O)N2CCOCC2)cc1,XHJGSKKKHPSNLD-UHFFFAOYSA-N
-rxn:4:218754:224913,Cc1cc(Oc2ccccc2)ccc1-c1csc2c(=O)n(C3CCN(C(=O)OC(C)(C)C)CC3)c(=O)n(CC#N)c12,GQISMQORYWGDOS-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:4:218778:226844,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:4:218781:223506,CC(C)CCn1c(=O)c2sccc2n2c(SCc3ccc(-c4cccc(S(=O)(=O)N5CCN(C(=O)OC(C)(C)C)CC5)c4)cc3)nnc12,UJDISNNOXCBDAD-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:4:218787:223279,CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C2CCCCC2)c1=NC(=O)c1cccc(-c2cnc(C3CCCN3)nc2)c1,QXXMQLKEPMAWRZ-UHFFFAOYSA-N
-rxn:4:218877:223179,CONC(=O)c1cc(-c2cnc(OC3CCCN(C(=O)CN4CCOC4=O)C3)nc2)ccc1F,KJHVELAOKSHRHB-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:4:218919:224775,Cc1cc(=O)n(CC(=O)N2CCC(Oc3ccncc3-c3cnc(C(F)(F)F)c(C4CCCC4)c3)C2)cn1,SDKHCRVNDVCLLG-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:4:218944:223179,CONC(=O)c1cc(-c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)c([N+](=O)[O-])c2)ccc1F,HZBOHEIWFAACJE-UHFFFAOYSA-N
-rxn:4:218974:222702,Cc1cc(OCC2CCN(c3ncc(-c4cc(C5CCCNC5)ccc4C(F)(F)F)cc3C#N)CC2)ccn1,VYEMMBGPGIVXGZ-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:4:218991:223279,Cn1cc(-c2cnc(C3CCCN3)nc2)c(CN2CCN(C(=O)OC(C)(C)C)CC2)n1,YIAFUBRXFWIZFS-UHFFFAOYSA-N
-rxn:4:218992:226461,CC(=O)n1ccc2c(-c3cnn(CC4CN(C(=O)C5CCN(S(C)(=O)=O)CC5)C4)c3)cncc21,APEQLMSZKBIJOT-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:4:219011:223179,CONC(=O)c1cc(-c2cnc(N(C)C3CCN(C(=O)OC(C)(C)C)CC3)cn2)ccc1F,MHUBOHRJPJAQJV-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:4:219012:227738,Cc1cnc(C(F)(F)F)cc1-c1cnc(N(C)C2CCCN(C(=O)OC(C)(C)C)C2)nc1,OXSAAJXRUUAZOJ-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:4:219026:223179,CONC(=O)c1cc(-c2cnn(C)c2C(=O)N2CCN(C(=O)OC(C)(C)C)C(C)C2)ccc1F,GGBFGGQVXRYTHX-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:4:219028:223279,CC1CN(C(=O)c2cnn(C)c2-c2cnc(C3CCCN3)nc2)CCN1C(=O)OC(C)(C)C,FRNMLIBEVNKNGL-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:4:219029:223279,CC1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1cnn(C)c1-c1cnc(C2CCCN2)nc1,KLPQRWYGDOZPNR-UHFFFAOYSA-N
-rxn:4:219043:223279,CC1CN(Cc2nn(C)cc2-c2cnc(C3CCCN3)nc2)CCN1C(=O)OC(C)(C)C,ZFSAFLCDIUDEQJ-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:4:219066:223279,O=C(C1CC(=O)N(c2ccccc2)C1)N1CCC(Oc2ncc(-c3cnc(C4CCCN4)nc3)cn2)CC1,YJBFOTOGNVVGDM-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:4:219072:223179,CONC(=O)c1cc(-c2cccc(-c3nnc(CC(=O)N4CCN(C5CCCCC5)CC4)o3)c2)ccc1F,XLTGGNVDBIAGBC-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:4:219128:225350,COC(=O)c1cc(C(F)(F)F)ccc1-c1cnc(OCC2CCN(Cc3nc4c(s3)CCC4)CC2)nc1,ZJKXKTODHXWMTO-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:4:219155:222439,Cc1cnc(OCC23CCCC2CN(C(=O)c2cncc(-c4ccc(S(=O)(=O)NC5CCCCC5)cc4C(F)(F)F)c2)C3)nc1,YSVQZJWDZPZWKS-UHFFFAOYSA-N
-rxn:4:219175:224392,Cc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)N(C)C4CCCCC4)cc3n2)cc1,FGZGSYPQUFUHOP-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:4:219207:223179,CONC(=O)c1cc(-c2ccc(-c3csc(N4CCN(CCN5C(=O)C6C7C=CC(C7)C6C5=O)CC4)n3)cc2)ccc1F,LMNIDWIOFOVBTF-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:4:219281:226844,Cn1ncc(C(=O)N2CCN(CC(F)(F)F)CC2)c1-c1ccnc(C(=O)C(F)(F)F)c1,KIBITTBLWJNOMV-UHFFFAOYSA-N
-rxn:4:219381:223179,CONC(=O)c1cc(-c2cnc(SC)nc2N2CCN(S(=O)(=O)C3CC3)CC2)ccc1F,HFQZLWQNCQYCTL-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:4:219414:223179,CONC(=O)c1cc(-c2cnc(N3CCOC(C(=O)N4CCCC4)C3)c(C#N)c2)ccc1F,JJMNGCPGURTVGI-UHFFFAOYSA-N
-rxn:4:219433:224811,O=C(c1ccc(-c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)o1)N1CCN(c2ccc(C3CC3)nn2)CC1,KAOLOCIINIXMFT-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:4:219452:225232,Cc1nc(-c2cnc(Cl)c(N3CCC(C)CC3)c2)n(C2CCN(C(=O)OC(C)(C)C)CC2)n1,SUTZBMKSLFBPTC-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:4:219456:225210,Cc1nc(N2CCC(C)CC2)ncc1-c1cnn(C2CCN(C(=O)OC(C)(C)C)CC2C)n1,WQASVYGWOWUUDD-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:4:219468:223179,CONC(=O)c1cc(-c2cnc(OC3CCN(C(=O)N4CCOCC4)CC3)nc2)ccc1F,RLOFUPWGOGNPFB-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:4:219473:223179,CONC(=O)c1cc(-c2cnc(N3CCOC(C(=O)N4CCCC4)C3)nc2OC)ccc1F,LBDIMBJJGVANSR-UHFFFAOYSA-N
-rxn:4:219492:224792,CC(C)CSc1ncc(C(F)(F)F)cc1-c1cncc(C(=O)N2CCC(c3nnc(C(C)C)o3)CC2)c1,VCSKNTZXRGVWMR-UHFFFAOYSA-N
-rxn:4:219498:223179,CONC(=O)c1cc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)nc2OC)ccc1F,FKMJKQYSVPOPMK-UHFFFAOYSA-N
-rxn:4:219501:224367,CSc1ncc(-c2ccc(OC(F)(F)F)c(OCC(C)C)c2)c(N2CCOC(C(=O)N3CCOCC3)C2)n1,IDNXHSLYVRGDFG-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:4:219515:223179,CONC(=O)c1cc(-c2nnc(N3CC4(CCN(C(=O)OC(C)(C)C)CC4)C3)s2)ccc1F,RIKYPIFXWPGFMS-UHFFFAOYSA-N
-rxn:4:219516:223179,CONC(=O)c1cc(-c2cnc(OC3CCN(CC4CC(=O)N(C)C4)CC3)nc2)ccc1F,PTSHQCBGVMAWDY-UHFFFAOYSA-N
-rxn:4:219522:224379,Cc1cc(OC2CCN(C(=O)c3cncc(-c4ccccc4S(=O)(=O)N4CCN(C)CC4)c3)CC2)nc(C)n1,KDVWXCHXFGRQPX-UHFFFAOYSA-N
-rxn:4:219530:223279,O=C1C(N2CCC(Oc3ncc(-c4cnc(C5CCCN5)nc4)cn3)CC2)CCN1C1CC1,NGBSVGLXZVRKTR-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:4:219536:223179,CONC(=O)c1cc(-c2ccc(C(=O)N3CCCN(S(=O)(=O)c4cn(C)c(C)n4)CC3)o2)ccc1F,DDBQPGOPNVOZNH-UHFFFAOYSA-N
-rxn:4:219551:226844,CC(C)N1CCC(N2CCC(Oc3ncc(-c4ccnc(C(=O)C(F)(F)F)c4)cn3)CC2)C1=O,KKFJAJXREFDFBK-UHFFFAOYSA-N
-rxn:4:219552:223279,COc1nc(N2CCC(C(=O)N3CCC(F)(F)CC3)CC2)ncc1-c1cnc(C2CCCN2)nc1,XKNLQRCDBDNQBZ-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:4:219559:223179,CONC(=O)c1cc(-c2ccc(C(=O)N3CCCN(S(=O)(=O)c4c(C)nn(C)c4C)CC3)o2)ccc1F,OAWFABQLFHWGKJ-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:4:219651:223179,CONC(=O)c1cc(-c2ccc(OC)cc2CN2N=NC3C(=O)N(c4ccc(F)cc4)C(=O)C32)ccc1F,RKWHWEWJIGLPAY-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:4:219691:223179,CONC(=O)c1cc(-c2cnn3c(Cl)cc(C4CCCN(C(=O)OC(C)(C)C)C4)nc23)ccc1F,WFEWKCRXJDMIEW-UHFFFAOYSA-N
-rxn:4:219691:223932,CC(C)(C)OC(=O)N1CCCC(c2cc(Cl)n3ncc(-c4cc5c(Cl)cccc5n4C(=O)OC(C)(C)C)c3n2)C1,NUTLBGSMIMCECV-UHFFFAOYSA-N
-rxn:4:219716:223845,Cc1cc(N2CC3CN(C(=O)Cc4ccc(-c5cc(F)c(F)cc5S(=O)(=O)N5CCN(C)CC5)cc4)CC3C2)ncn1,VOKYVCHUIASQAQ-UHFFFAOYSA-N
-rxn:4:219750:223179,CONC(=O)c1cc(-c2ccc(OC)cc2C(=O)N2CCCc3cnc(N4CCOCC4)nc32)ccc1F,YRUZZRYQQRWTRC-UHFFFAOYSA-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:4:219769:223816,CC(C)N1CCN(C(=O)c2cc3n(n2)CC(c2ccc(-c4cc5c(Cl)ccnc5n4COCC[Si](C)(C)C)cc2)OC3)CC1,OHLHHHDIAZFVDH-UHFFFAOYSA-N
-rxn:4:219840:223536,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cnc(N4CCN(CCF)CC4)nc3)cc(F)c2F)CC1,FQGWHCQHNDOALO-UHFFFAOYSA-N
-rxn:4:219840:223593,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(N4CCN(CCF)CC4)nc3)cc2Cl)CC1,IIWPVMSCOKCKEO-UHFFFAOYSA-N
-rxn:4:219955:223179,CONC(=O)c1cc(-c2cnc(N3CCOC(C(=O)N4CCSCC4)C3)nc2)ccc1F,HNDOFFCJLZSQHV-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:4:219975:223179,CONC(=O)c1cc(-c2cnc(N3CCOC(C(=O)N4CCCCC4)C3)nc2)ccc1F,YOYKFODYCFIYDN-UHFFFAOYSA-N
-rxn:4:219988:223179,CONC(=O)c1cc(-c2cnc(N3CCCC(C(=O)N4CCOCC4)C3)nc2)ccc1F,PPORKMHOCBBFHK-UHFFFAOYSA-N
-rxn:4:219991:224392,Cc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1cncc(C(=O)N2CCC(N3CC(=O)N(C)C3=O)CC2)c1,JWKYGMSPBFMEKP-UHFFFAOYSA-N
-rxn:4:219991:225292,CC(C)Oc1ccc(-c2cncc(C(=O)N3CCC(N4CC(=O)N(C)C4=O)CC3)c2)cc1C(F)(F)F,UCMYWHHTJRDFOS-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:4:220009:223532,CCOC(=O)c1nc2ncc(-c3cc(F)cc(CN4CCN(C(=O)OC(C)(C)C)CC4)c3)cn2n1,MNBFHHVBWKOWHN-UHFFFAOYSA-N
-rxn:4:220041:222636,C[C@@H](NC(=O)OC(C)(C)C)c1ccc(-c2nnn3c2CN(C(=O)OC(C)(C)C)CC3)cc1,BNFYXUAGFHPYLU-OAHLLOKOSA-N
-rxn:4:220136:224010,COc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1ccc2ncnc(N3CCN(S(=O)(=O)C4CC4)CC3)c2c1,DFVLEHYIRBSGFJ-UHFFFAOYSA-N
-rxn:4:220204:223179,CONC(=O)c1cc(-c2ccc3ncnc(N4CCOC(C(=O)N5CCOCC5)C4)c3c2)ccc1F,IXIVFYDRMORIMW-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:4:220813:223671,CN1CCN(c2cncc(-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)n2)CC1,ARONQVPPIRISOK-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:4:221110:223179,CONC(=O)c1cc(-c2cnc(N3CCC(OCC#CCN4CCN(C)CC4)CC3)nc2)ccc1F,HNNCXVYHUIDCAI-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:4:221113:223279,O=C(Cc1ccccc1-c1cnc(C2CCCN2)nc1)N1CCN(Cc2nncn2C2CCCCC2)CC1,GRVWQHALLWKHOF-UHFFFAOYSA-N
-rxn:4:221113:226844,O=C(Cc1ccccc1-c1ccnc(C(=O)C(F)(F)F)c1)N1CCN(Cc2nncn2C2CCCCC2)CC1,MWHZASPEYZZFIX-UHFFFAOYSA-N
-rxn:4:221114:223179,CCOc1ccc(-c2ccc(F)c(C(=O)NOC)c2)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N3CCCC3)n2)CC1,YLBJLBYSFNVSBB-UHFFFAOYSA-N
-rxn:4:221114:223834,CCOc1ccc(-c2cc(C)c(S(=O)(=O)N3CCN(C)CC3)c(C)c2)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N3CCCC3)n2)CC1,HFIBSCYXDVXZEP-UHFFFAOYSA-N
-rxn:4:221114:225640,CCOc1ccc(-c2ccnc(N3CCCCC3C)c2)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N3CCCC3)n2)CC1,JXMGYXJXCRUMBH-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:4:221126:222999,CCOC(=O)C1CCCN(c2nc3c(S(=O)(=O)c4ccc(-c5cc(Cl)cc(C6CCCNC6)c5)cc4)nnn3c3ccsc23)C1,ZBRIFUPPCUIRCU-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:4:221127:223839,CCOC(=O)C1CCN(c2nc3c(S(=O)(=O)c4ccc(-c5cc(S(=O)(=O)N6CCN(C)CC6)ccc5OC)cc4)nnn3c3ccsc23)CC1,XCQQRCJOOPTZQP-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:4:221129:226844,CCOC(=O)C1CCN(c2nc3c(S(=O)(=O)c4ccc(-c5ccnc(C(=O)C(F)(F)F)c5)cc4)nnn3c3ccccc23)CC1,LLMQZZQLOOALGX-UHFFFAOYSA-N
-rxn:4:221175:222424,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:4:221175:223279,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4cnc(C5CCCN5)nc4)cn3)C2)C(=O)C1=O,VKNWGSZSYSKSLE-UHFFFAOYSA-N
-rxn:4:221175:225044,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4cc([Si](C)(C)C)cc([Si](C)(C)C)c4)cn3)C2)C(=O)C1=O,YFWIUJXHZIHIEB-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:4:221182:226844,COCCN1C(=O)CN(C2CCN(c3ncc(-c4ccnc(C(=O)C(F)(F)F)c4)cn3)CC2)C1=O,FOUBWMSNWZEMHV-UHFFFAOYSA-N
-rxn:4:221190:224320,Cc1ccc(S(=O)(=O)N2CCCCC2)cc1-c1ccc(C(=O)N2CCN(c3ccc(-c4noc(C5CC5)n4)cn3)CC2)o1,DLSMNRLJXURRIN-UHFFFAOYSA-N
-rxn:4:221193:223179,CONC(=O)c1cc(-c2cnc(OCC3CCCN(C(=O)N4CCN(C)CC4)C3)nc2)ccc1F,IIMKPGFHUJEHAY-UHFFFAOYSA-N
-rxn:4:221202:223179,CONC(=O)c1cc(-c2ccccc2C(=O)N2CCN(Cc3nncn3C3CCCCC3)CC2)ccc1F,GALBGLWTYGSDJT-UHFFFAOYSA-N
-rxn:4:221205:225640,CC1CCCCN1c1cc(-c2ccc(CCN3CCN(c4ccnc(N5CCOCC5)n4)CC3)cc2)ccn1,LKOXGNNEAXIUQQ-UHFFFAOYSA-N
-rxn:4:221249:225914,CCOc1cc(-c2cnn3cc(-c4ccc(N5CCN(C(=O)OC(C)(C)C)CC5)cc4)cnc23)cc(C(F)(F)F)c1,VMSNDFZIPFIMRA-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:4:221252:223179,CCC1CCCCN1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(-c2ccc(F)c(C(=O)NOC)c2)cc1,VAHHFILULSMOCJ-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:4:221321:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3ccc(-c4nnnn4CC(=O)N4CCOCC4)cc3)c2Cl)CC1,IIROTYIRVOUPOA-UHFFFAOYSA-N
-rxn:4:221379:222426,CN(c1ncc(Cl)cn1)C1CCN(C(=O)c2cncc(-c3ccc4c(c3)C3(CCN(C(=O)OC(C)(C)C)CC3)C(=O)N4)c2)CC1,GWCFTCLWDNQZQE-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:4:221381:224767,Cc1nc(N2CCN(C(=O)c3cncc(-c4cccc(C(=O)N5CCOCC5)c4F)c3)CC2)cc(C(F)(F)F)n1,XMGNLJPDMOLLMZ-UHFFFAOYSA-N
-rxn:4:221388:224392,Cc1cc(N2CCCC(COc3ncc(-c4cc(S(=O)(=O)N5CCOCC5)ccc4C)cn3)C2)nc(C)n1,LMQBMTVGHZPDAB-UHFFFAOYSA-N
-rxn:4:221398:224767,CN1CCN(C(=O)N2CCC(Oc3ncc(-c4cccc(C(=O)N5CCOCC5)c4F)cn3)CC2)CC1,RVKQFTBSSUSEOP-UHFFFAOYSA-N
-rxn:4:221401:223970,Cc1ccc(-c2cccc(CN3CCN(c4nccc(N(C)C)n4)CC3)c2)cc1S(=O)(=O)N1CCC(C)CC1,DRLDEBZHCNJWMA-UHFFFAOYSA-N
-rxn:4:221404:223505,CN(C)c1nccc(N2CCN(Cc3cccc(-c4ccc(S(=O)(=O)N5CCN(C(=O)OC(C)(C)C)CC5)cc4)c3)CC2)n1,OSJINPCMWMIKKL-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:4:221414:226844,Cc1nc(S(=O)(=O)N2CCCN(C(=O)c3cncc(-c4ccnc(C(=O)C(F)(F)F)c4)c3)CC2)cn1C,UQRMDBUXGGKRSC-UHFFFAOYSA-N
-rxn:4:221416:226844,O=C(c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)o1)N1CCN(c2ccc(N3CCCCC3)nn2)CC1,SSUWKTGYIWCJOL-UHFFFAOYSA-N
-rxn:4:221422:222960,Cc1cc(-c2ccc(Cl)c(C(=O)N3CCN(c4ccc(N5CCOCC5)nn4)CC3)c2)cc(C2CCNCC2)c1,LGBGOCGPHXJQLQ-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:4:221427:222833,CC(C)CCC(=O)Nc1cccc(-c2ccccc2CN2CCN(c3cc(N4CCOCC4)ncn3)CC2)c1,CNJIKNREFYTKCA-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:4:221432:223480,Cc1cc(N2CCCC2)nc(N2CCN(C(=O)c3cccc(-c4cc(C)c(S(=O)(=O)N5CCN(C(=O)OC(C)(C)C)CC5)c(C)c4)c3)CC2)n1,SGUXDPDDMYWKKQ-UHFFFAOYSA-N
-rxn:4:221433:223970,Cc1cc(N2CCCC2)nc(N2CCN(C(=O)c3ccc(-c4ccc(C)c(S(=O)(=O)N5CCC(C)CC5)c4)cc3)CC2)n1,LDEZFBDEMPAXEB-UHFFFAOYSA-N
-rxn:4:221433:224377,Cc1cc(N2CCCC2)nc(N2CCN(C(=O)c3ccc(-c4ccc(S(=O)(=O)N5CCN(C)CC5)cc4)cc3)CC2)n1,ZZTDNGQGKHYPFT-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:4:221441:223179,CONC(=O)c1cc(-c2cccc(CN3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)c2)ccc1F,XYQRGIKBVJLARU-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:4:221443:226844,Cc1nc(N2CCOCC2)cc(N2CCN(Cc3cccc(-c4ccnc(C(=O)C(F)(F)F)c4)c3)CC2)n1,JWILCFSATWDODP-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:4:221446:222961,CCCCNC(=O)c1cccc(-c2ccc(CN3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)c1,WJKKIPQWLRLCDJ-UHFFFAOYSA-N
-rxn:4:221446:224796,Cc1cc(N2CCOCC2)nc(N2CCN(Cc3ccc(-c4cncc(S(=O)(=O)OCC(C)(C)C)c4)cc3)CC2)n1,RLHWSWOOPLABBP-UHFFFAOYSA-N
-rxn:4:221447:222985,Cc1cc(N2CCN(Cc3ccc(-c4ccc(C5CCCNC5)nc4C)cc3)CC2)nc(N2CCOCC2)n1,NKECBCWXONHVBX-UHFFFAOYSA-N
-rxn:4:221451:223179,CONC(=O)c1cc(-c2ccccc2C(=O)N2CCN(c3nc(C)cc(N4CCCCC4)n3)CC2)ccc1F,FITGQQOVGPBPSF-UHFFFAOYSA-N
-rxn:4:221451:223279,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:4:221452:226844,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3cccc(-c4ccnc(C(=O)C(F)(F)F)c4)c3)CC2)n1,NMRKGKAJHCACEP-UHFFFAOYSA-N
-rxn:4:221453:225743,COC(=O)Cc1ccc(OC)c(-c2ccc(C(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)c1,HMPWIFDYTOPMIK-UHFFFAOYSA-N
-rxn:4:221454:223279,O=C(c1ccccc1-c1cnc(C2CCCN2)nc1)N1CCN(c2ccc(N3CCCCCC3)nn2)CC1,OJFYSZCNJHZCIA-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:4:221498:223574,CC(C)(C)OC(=O)N1CCN(Cc2cccc(-c3c[nH]c4ncnc(N5CCN(C(=O)OC(C)(C)C)CC5)c34)c2)CC1,QDCWOZYSYAUJLS-UHFFFAOYSA-N
-rxn:4:221498:223648,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3c[nH]c4ncnc(N5CCN(C(=O)OC(C)(C)C)CC5)c34)cc2)CC1,CTDUEGLFVXSEPP-UHFFFAOYSA-N
-rxn:4:221832:224009,COc1ccc(-c2cnc(N3CCN(C4=NS(=O)(=O)c5ccccc54)CC3)nc2)cc1S(=O)(=O)N1CCOCC1,WFFUUUDEHQTOFK-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:4:221951:223884,COc1nccnc1N(C)CC1CCN(c2ncc(-c3ccc4c(c3)CCN(C(=O)OC(C)(C)C)C4)cn2)CC1,LZPYBRMXMUIUQT-UHFFFAOYSA-N
-rxn:4:221980:223592,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cncc(-c4nn5c(=O)cc(N6CCN(C(=O)OC(C)(C)C)CC6)nc5s4)c3)c(Cl)c2)CC1,CXZQAINHQGGJHW-UHFFFAOYSA-N
-rxn:4:221980:224279,CC(C)(C)OC(=O)N1CCN(c2cc(=O)n3nc(-c4cncc(-c5ccc6c(c5)ncn6C(=O)OC(C)(C)C)c4)sc3n2)CC1,OXWKMYFWWSOPBD-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:4:221983:226844,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:4:221985:225287,Cn1cc(-c2nc3cnc(-c4cc(Cl)ncc4C(=O)OC(C)(C)C)cc3n2[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cn1,DNZUHTOHIGJEER-LJQANCHMSA-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:4:221996:223536,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cnn(CC4CN(c5nccnc5C#N)C4)c3)cc(F)c2F)CC1,PECIPOJUFKROBO-UHFFFAOYSA-N
-rxn:4:222031:223062,CN(C)c1nccc(N2CCN(c3ncc(C(F)(F)F)cc3-c3cnc(C4CCNCC4)cc3F)CC2)n1,CBLZEFTWBTUOKD-UHFFFAOYSA-N
-rxn:4:222039:227764,O=C(c1cc(-c2cc(F)c(C(F)F)c(F)c2)ccc1-n1cnnn1)N1CCN(C2CCS(=O)(=O)C2)CC1,YDIVFLDULKBBIU-UHFFFAOYSA-N
-rxn:4:222044:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3ccc(S(=O)(=O)N4CCN(c5ccc(-n6ccc(C)n6)nn5)CC4)cc3)c2)CC1,JLPBYPGGDGEOJK-UHFFFAOYSA-N
-rxn:4:222046:222629,CCc1c(C)nc(C2CC2)nc1N1CCN(c2ncc(-c3cc(C4CCCNC4)nc(C(C)(C)C)c3)cn2)CC1,LFIPGGBNRYUMLO-UHFFFAOYSA-N
-rxn:4:222056:222702,CC(C)(C)c1cc(N2CCN(c3ncc(-c4cc(C5CCCNC5)ccc4C(F)(F)F)cn3)CC2)nc(C2CC2)n1,WNHCHSIQWMWTAL-UHFFFAOYSA-N
-rxn:4:222056:223992,Cc1ccc(-c2cnc(N3CCN(c4cc(C(C)(C)C)nc(C5CC5)n4)CC3)nc2)cc1S(=O)(=O)N1CCN(C)CC1,CWJSZUCYBHPLKG-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:4:222124:226844,O=C1C2N=NN(Cc3nc(-c4cccc(-c5ccnc(C(=O)C(F)(F)F)c5)c4)no3)C2C(=O)N1c1ccc2c(c1)CCC2,IHXDQRHQTLECDC-UHFFFAOYSA-N
-rxn:4:222288:223644,CCOC(=O)C1CCCN(C(=O)c2ccc(-c3ccc(Cl)c(C(=O)N4CCN(c5cc(-n6cncn6)ncn5)CC4)c3)cc2)C1,FIMFLGVBOZBEMI-UHFFFAOYSA-N
-rxn:4:222334:222730,CCCc1cc(-c2cnc(N3CCN(c4nc(C)cc(N5CCCC5)n4)CC3)nc2)cc(C2CCNCC2)n1,WWIGKLZQYMSHQN-UHFFFAOYSA-N
-rxn:4:222334:225296,Cc1cc(N2CCCC2)nc(N2CCN(c3ncc(-c4ccc(S(=O)(=O)N5CCCC5)cc4)cn3)CC2)n1,OYFOTORVOAVEOI-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:4:222387:223784,CCN1CCN(CCOc2ccc(-c3cnc(N4CCOC(Cn5nnc6ncc(-c7cnn(C)c7)nc65)C4)nc3)cc2F)CC1,MMNUBCKQKPYYHU-UHFFFAOYSA-N
-rxn:4:222387:223785,CCN1CCN(CCOc2ccc(-c3cnc(N4CCOC(Cn5nnc6ncc(-c7cnn(C)c7)nc65)C4)nc3)cc2Cl)CC1,VZGXZAQAMVFVFA-UHFFFAOYSA-N
-rxn:4:222461:185555,CC(=O)c1c(C)oc2ccc(N(C(C)=O)S(=O)(=O)c3ccc(-c4c(F)cc(F)c5sc(NC(=O)OC(C)(C)C)nc45)cc3)cc12,RERYKFMUOXJJIU-UHFFFAOYSA-N
-rxn:4:222523:189897,Cc1ccc(C(=O)N(C)C(C)C)cc1-c1ccc(S(=O)(=O)NC(C)(C)C)cc1C(F)(F)F,KHVLBHNVDZAFRW-UHFFFAOYSA-N
-rxn:4:222613:186948,CCCNS(=O)(=O)c1ccc(-c2ccc(OC3CN(C(=O)C(C)C)C3)cc2)c(C(F)(F)F)c1,FLBISTQDMHQENL-UHFFFAOYSA-N
-rxn:4:222682:184181,COc1cccc(-c2ccc(CN(C(=O)OC(C)(C)C)C(C)C)c3ccccc23)c1NC(=O)OC(C)(C)C,LSNGAOAKMYVSDL-UHFFFAOYSA-N
-rxn:4:222712:185094,COc1ccc(C(=O)N(C(C)C)C(C)C)c(-c2ccc(NC(=O)OC(C)(C)C)c(F)c2F)c1,JGVOAAJBJURHOO-UHFFFAOYSA-N
-rxn:4:222801:174522,Cc1ccc(-c2ccc(C#C[Si](C(C)C)(C(C)C)C(C)C)cc2)cc1S(=O)(=O)NC(C)(C)C,MRBYSNMWTNSTKC-UHFFFAOYSA-N
-rxn:4:222880:174518,CC(C)[Si](Oc1ccc(F)c(-c2cc(Cl)ccc2NC(=O)C(C)(C)C)c1)(C(C)C)C(C)C,PSLNHPCTWPTFFT-UHFFFAOYSA-N
-rxn:4:222882:185266,CC(C)CN(C1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(-c2cc(F)ccc2C(=O)NC(C)(C)C)cc1,HHEIHSPTNVJSLO-UHFFFAOYSA-N
-rxn:4:222930:194572,O=S1(=O)CC2CC1CN2S(=O)(=O)c1ccccc1-c1cnc(Cl)c(N2CCCC(O)C2)c1,VILZFGCIJYKFEE-UHFFFAOYSA-N
-rxn:4:222931:194572,O=S1(=O)CC2CC1CN2S(=O)(=O)c1ccccc1-c1cnc(Cl)c(N2CCCCC2O)c1,KNHPDWGQPOIVCQ-UHFFFAOYSA-N
-rxn:4:223071:215990,CCS(=O)(=O)NCc1ccc(-c2ccc(N3CCN(C4CCN(C)CC4)CC3)cc2)cc1,XVCVNEWMAHLANY-UHFFFAOYSA-N
-rxn:4:223080:199617,CC(C)NS(=O)(=O)c1ccc(-c2ccc(CN(C(=O)OC(C)(C)C)C3CCC3)cn2)cc1,OAGNBAIFUJSEJL-UHFFFAOYSA-N
-rxn:4:223490:178600,Cc1ccc(-c2c(C(C)C)cc(-c3c4ccccc4cc4ccccc34)cc2C(C)C)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,NWEFMTPRSAAQTH-UHFFFAOYSA-N
-rxn:4:223492:179262,Cc1ccc(C(=O)C(F)F)cc1-c1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c(C)c1,WBDBOPHPZYXCDT-UHFFFAOYSA-N
-rxn:4:223521:173910,COC(=O)C(C(=O)OC)c1ccc(-c2cccc(C(C)N3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1,XETCOZSURUVBIU-UHFFFAOYSA-N
-rxn:4:223580:199858,COC(=O)c1ccc2c(c1)cc(-c1ccc(C(=O)Oc3c(Sc4ccc(C)cc4)c(C)nn3C(C)(C)C)cc1)n2C(=O)OC(C)(C)C,PVUZRERZFFGPIG-UHFFFAOYSA-N
-rxn:5:176855:226036:225456,COC(=O)c1cc(-c2ccc(C3CCN(C)CC3)cc2)c(-c2cc(C(F)(F)F)cc(F)c2OC)cc1OC,OTBXUPURGMKIRR-UHFFFAOYSA-N
-rxn:5:177739:225499:225394,CC(C)(C)OC(=O)c1cccc(-c2ccc(C3CCCCC3)cc2F)c1-c1cc(C2CCC2)cc(C2CC2)c1,NEMGCXMYPAUWRT-UHFFFAOYSA-N
-rxn:5:178119:225507:227525,CCc1cnc(C(F)F)cc1-c1c(C)cc(C(=O)OC(C)(C)C)cc1-c1ccc2c(c1)CCC2C(=O)OC,ZQFBPJFNPKDXCL-UHFFFAOYSA-N
-rxn:5:178225:225514:227568,COc1cc(F)c(-c2c(OCC3CCCCC3)cccc2-c2cccc3c2OCC2(CC2)CO3)c(OC)c1,YJRFTXSBQMPXOL-UHFFFAOYSA-N
-rxn:5:178295:225933:223244,COC(=O)C1(c2cc(-c3cc4cn[nH]c4cc3OC)ccc2-c2cc(C3CC3)nc(C(F)(F)F)c2)CCC(=O)CC1,XKJPJNTWIHLZDK-UHFFFAOYSA-N
-rxn:5:178295:225934:223244,COC(=O)C1(c2cc(-c3cc4cn[nH]c4cc3OC)ccc2-c2cnc(C(F)(F)F)c(C3CC3)c2)CCC(=O)CC1,UJMMSWPNDPWSOS-UHFFFAOYSA-N
-rxn:5:178295:225935:223244,COC(=O)C1(c2cc(-c3cc4cn[nH]c4cc3OC)ccc2-c2cc(C(C)C)nc(C(F)(F)F)c2)CCC(=O)CC1,IKUVTBOHBDXLET-UHFFFAOYSA-N
-rxn:5:178295:226761:228146,CCc1cncc(-c2ccc(-c3ccc(SC)cc3C(F)(F)F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1OC,YQWMYZSOCWABKY-UHFFFAOYSA-N
-rxn:5:178295:226911:228407,CCc1cc(C)cc(CC)c1-c1ccc(-c2c(OC)ccc(F)c2F)cc1C1(C(=O)OC)CCC(=O)CC1,GODYALXANPDOLN-UHFFFAOYSA-N
-rxn:5:178295:227076:227933,CCc1ccc(OC)cc1-c1ccc(-c2cc(C(C)CC)ccc2F)c(C2(C(=O)OC)CCC(=O)CC2)c1,PAAAEZFURIMUKD-UHFFFAOYSA-N
-rxn:5:178295:227124:227541,CCOc1cc(F)c(-c2ccc(-c3ccc(C(C)(C)C)cc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc1F,RSKYOAOKNAJTOC-UHFFFAOYSA-N
-rxn:5:178295:227311:227053,CCC(C)c1cc(F)c(-c2ccc(-c3cccc(OC(C)(C)C)c3)cc2C2(C(=O)OC)CCC(=O)CC2)cn1,KFQMWDSZHJNIDO-UHFFFAOYSA-N
-rxn:5:178295:227313:227051,CCC(=O)c1ccc(-c2ccc(-c3cc(C(C)CC)ncc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(C)c1,VVNQARHDTPGDII-UHFFFAOYSA-N
-rxn:5:178295:227540:228415,COC(=O)C1(c2cc(-c3cc(F)ccc3C(F)F)ccc2-c2cc(SC)cc(F)c2OC)CCC(=O)CC1,BWYFJQZQRBNPBW-UHFFFAOYSA-N
-rxn:5:178295:227716:227831,CCc1c(C)cc(-c2ccc(-c3cccc(F)c3OC(F)F)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc1C,AAQDGCPWRRDHMM-UHFFFAOYSA-N
-rxn:5:178295:227819:227346,CCCc1cc(F)c(-c2ccc(-c3cc(CC)cc(CC)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)c1,VEVUOTBMYYCPOE-UHFFFAOYSA-N
-rxn:5:178295:228431:227592,COC(=O)C1(c2cc(-c3cc(F)cc(OC)c3OC)ccc2-c2cc(F)cc(F)c2SC)CCC(=O)CC1,DHPDHLHWAVPMDE-UHFFFAOYSA-N
-rxn:5:178295:228434:227276,CCc1cc(N(C)C)ncc1-c1ccc(-c2ccc(C(F)F)c(F)c2)c(C2(C(=O)OC)CCC(=O)CC2)c1,AHPIORKTIJRVBI-UHFFFAOYSA-N
-rxn:5:178295:228567:227718,CCC(C)c1sccc1-c1ccc(-c2ccc(OC(F)F)cc2F)cc1C1(C(=O)OC)CCC(=O)CC1,PHPXCZQOIAOUMS-UHFFFAOYSA-N
-rxn:5:178295:228630:226140,CCc1cc(F)cc(-c2ccc(-c3cc(C(C)(C)C)ccc3OC)cc2C2(C(=O)OC)CCC(=O)CC2)c1,RUWNMBDVYWOTNK-UHFFFAOYSA-N
-rxn:5:178467:225602:228679,CCOC(=O)C1=Cc2cc(-c3cnn(CC4CC4)c3)cc(-c3cc(C4(C#N)CCC4)ccc3F)c2OC1,QXCNHEJWTGZRCX-UHFFFAOYSA-N
-rxn:5:178467:225849:223056,CCOC(=O)C1=Cc2cc(-c3ccc(N4CCC(O)CC4)nc3)cc(-c3cnc(N4CCCCC4)cc3F)c2OC1,XRIXMZYUEGXYSL-UHFFFAOYSA-N
-rxn:5:178467:225849:223132,CCOC(=O)C1=Cc2cc(-c3cccc(N4CCNCC4)c3)cc(-c3cnc(N4CCCCC4)cc3F)c2OC1,UVNXFUOCAAIGTF-UHFFFAOYSA-N
-rxn:5:178467:226794:227291,CCOC(=O)C1=Cc2cc(-c3ccc(CN(C)C)c(F)c3)cc(-c3cnc(N4CCSCC4)nc3)c2OC1,ZCAHZOJKSJYURH-UHFFFAOYSA-N
-rxn:5:178467:227291:226794,CCOC(=O)C1=Cc2cc(-c3cnc(N4CCSCC4)nc3)cc(-c3ccc(CN(C)C)c(F)c3)c2OC1,GXORWNQKOQXBGS-UHFFFAOYSA-N
-rxn:5:180267:225946:225925,CSc1cc(C(C)(C)C)cc(-c2cc(C(C)=O)cc(C(F)(F)F)c2)c1-c1cc(S(=O)(=O)N(C)C)ccc1C,CSWQUUXJMQIJET-UHFFFAOYSA-N
-rxn:5:180267:225946:226898,CSc1cc(C(C)(C)C)cc(-c2cc(C(C)=O)cc(C(F)(F)F)c2)c1-c1cn(S(=O)(=O)N(C)C)nc1C,IQYUEVZUOOBLIU-UHFFFAOYSA-N
-rxn:5:180422:223133:226686,Cc1cnn(C2CCCCO2)c1-c1cc(CC2CCCCC2)ccc1-c1ccccc1N1CCNCC1,CLGYWKSFOKMOHB-UHFFFAOYSA-N
-rxn:5:180422:225832:227611,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(CC2CCCCC2)cc1-c1ccnn1C1CCCCO1,IDEPLMRFORHRHY-UHFFFAOYSA-N
-rxn:5:180662:223062:226332,COC(=O)C1=Cc2cc(-c3ccccc3C(=O)N3CCC3)cc(-c3cnc(C4CCNCC4)cc3F)c2OC1,UWZYZDQBPKCETN-UHFFFAOYSA-N
-rxn:5:180662:225613:227710,COC(=O)C1=Cc2cc(-c3ccc(OS(C)(=O)=O)cc3)cc(-c3ccnc(OC4CCCCC4)c3)c2OC1,YFMYMTKZTRWTPO-UHFFFAOYSA-N
-rxn:5:180662:225636:227710,COC(=O)C1=Cc2cc(-c3ccc(OS(C)(=O)=O)cc3)cc(-c3ccnc(N4CCC(C)CC4)c3)c2OC1,ZEJQQVPHFKICQB-UHFFFAOYSA-N
-rxn:5:181621:225832:225988,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2c(F)cc(C3OCCO3)cc2F)cc(C2OCCO2)c1,FIQYQDNJCNOMDD-UHFFFAOYSA-N
-rxn:5:181907:225407:225656,Cc1cc(-c2ccc(C3CCCCCC3)cc2)c(-c2cncc(N3CCCCC3C)c2)c(C2OCCO2)c1,VPUSJBGOIRHLKJ-UHFFFAOYSA-N
-rxn:5:181907:225640:225407,Cc1cc(-c2ccnc(N3CCCCC3C)c2)c(-c2ccc(C3CCCCCC3)cc2)c(C2OCCO2)c1,YESAFQIIQGEEDM-UHFFFAOYSA-N
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-rxn:5:182009:225832:223135,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2cccnc2C2CCCNC2)cc1C1CCOCC1,STYDXDFMHYLBBF-UHFFFAOYSA-N
-rxn:5:188930:226374:223056,COC(=O)c1cc(S(N)(=O)=O)c(-c2cncnc2C2CCCCC2)cc1-c1ccc(N2CCC(O)CC2)nc1,BDCGJTZKRANXFT-UHFFFAOYSA-N
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-rxn:5:189079:226662:223065,CCN(C)C(=O)c1ccc(-c2ccc(N3CCNCC3)cc2F)c(-c2ccc(N3CCN(C)CC3)s2)c1,XZWYXOWTRTUIOF-UHFFFAOYSA-N
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-rxn:5:189083:225982:225976,CCN(C)C(=O)c1cccc(-c2cnc(N3CCOCC3)cc2F)c1-c1ccnc(N2CCOCC2)c1F,KJCVYFXMPJHODD-UHFFFAOYSA-N
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-rxn:5:189209:228570:225577,N#Cc1cc(N2CCCC2)ccc1-c1cc(C(=O)ON2C(=O)CCC2=O)cc(-c2cncc(C3CC3)c2)c1,JSYZNECKMDIKBB-UHFFFAOYSA-N
-rxn:5:189209:228585:225577,N#Cc1cc(N2CCCC2)ccc1-c1cc(C(=O)ON2C(=O)CCC2=O)cc(-c2cnccc2C2CC2)c1,BRHXHDQAKRJXOU-UHFFFAOYSA-N
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-rxn:5:189212:225833:228566,CC(C)Cc1sccc1-c1ccc(C(=O)ON2C(=O)CCC2=O)cc1-c1ccnc(N2CCCCC2)c1F,DCDVPSFSCKMQFG-UHFFFAOYSA-N
-rxn:5:189212:225833:229015,CC(C)c1sccc1-c1ccc(C(=O)ON2C(=O)CCC2=O)cc1-c1ccnc(N2CCCCC2)c1F,OTCUJFWTOVRULQ-UHFFFAOYSA-N
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-rxn:5:190337:227076:225886,CCC(C)c1ccc(F)c(-c2cc(C(=O)N3CCC(C)CC3)cc(-c3ccc4c(ccn4S(C)(=O)=O)c3)c2OC)c1,SGACNZPYVGZRJE-UHFFFAOYSA-N
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-rxn:5:193506:227113:227517,Cc1cc(F)c(C2CC2)cc1-c1ccc(S(=O)(=O)N2CCC(=O)CC2)c(-c2ccc(OC3COC3)nc2)c1,UVTLAPBJXLXFQP-UHFFFAOYSA-N
-rxn:5:193506:227626:225577,N#Cc1cc(N2CCCC2)ccc1-c1cc(-c2cnc(C3CCOC3)nc2)ccc1S(=O)(=O)N1CCC(=O)CC1,ZRYQIRCORLUKNJ-UHFFFAOYSA-N
-rxn:5:193506:227656:223056,O=C1CCN(S(=O)(=O)c2ccc(-c3cc(N4CCOCC4)cs3)cc2-c2ccc(N3CCC(O)CC3)nc2)CC1,ANBCDYDRWITJRM-UHFFFAOYSA-N
-rxn:5:193506:227656:223200,O=C1CCN(S(=O)(=O)c2ccc(-c3cc(N4CCOCC4)cs3)cc2-c2ccc(C3CCNC3)cc2)CC1,FMLWIIJFCGOZKO-UHFFFAOYSA-N
-rxn:5:193506:227656:225577,N#Cc1cc(N2CCCC2)ccc1-c1cc(-c2cc(N3CCOCC3)cs2)ccc1S(=O)(=O)N1CCC(=O)CC1,YVPADCMYLUUENI-UHFFFAOYSA-N
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-rxn:5:193506:228211:223190,CNS(=O)(=O)c1ccc(F)cc1-c1cc(-c2cc(N3CCCC3)cs2)ccc1S(=O)(=O)N1CCC(=O)CC1,QQOXPOYKPBUFMO-UHFFFAOYSA-N
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-rxn:5:193506:228560:226427,CCSc1ccccc1-c1ccc(S(=O)(=O)N2CCC(=O)CC2)c(-c2cc(N3CCC(C)CC3)cs2)c1,KIEBSUSIWUNJAU-UHFFFAOYSA-N
-rxn:5:193506:228563:223131,CC(C)Cc1csc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3ccc(N4CCNCC4)cc3)c2)c1,MBEDTUJWBZUMAJ-UHFFFAOYSA-N
-rxn:5:193506:228566:223131,CC(C)Cc1sccc1-c1ccc(S(=O)(=O)N2CCC(=O)CC2)c(-c2ccc(N3CCNCC3)cc2)c1,MQKJQNYTDCVMGU-UHFFFAOYSA-N
-rxn:5:193506:228566:223132,CC(C)Cc1sccc1-c1ccc(S(=O)(=O)N2CCC(=O)CC2)c(-c2cccc(N3CCNCC3)c2)c1,FPWANAJCIAGSBR-UHFFFAOYSA-N
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-rxn:5:193506:228609:225641,COc1cc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3ccnc(N4CCCC(C)C4)c3)c2)ccc1C,XRMVPVPQKWBNDG-UHFFFAOYSA-N
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-rxn:5:193506:228761:222991,COc1cc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3ccc(N4CCCC(O)C4)cc3)c2)cnc1C,URJSYYRWVBRXNE-UHFFFAOYSA-N
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-rxn:5:193506:228761:222994,COc1cc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3cccc(N4CCC(O)CC4)c3)c2)cnc1C,RCHUVZGOCGUSEQ-UHFFFAOYSA-N
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-rxn:5:193506:228761:226661,COc1cc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3cc(N4CCN(C)CC4)cs3)c2)cnc1C,DMBXBAWXCCLXLW-UHFFFAOYSA-N
-rxn:5:193506:228764:222990,COc1nccc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3ccc(N4CCC(O)CC4)cc3)c2)c1C,BFSWXPVVBZIWTD-UHFFFAOYSA-N
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-rxn:5:193749:228764:223054,COc1nccc(-c2ccc(-c3ccc(C(C)N4CCC(O)C4)s3)c(C(=O)N3CCCCC3C)c2)c1C,OULYMSADUYFKBM-UHFFFAOYSA-N
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-rxn:5:193756:225592:225641,CC1CCCN(c2cc(-c3cc(-c4cc(F)ccc4CN4CCCC4)ccc3C(=O)N3CCCCC3C)ccn2)C1,PBTJYFYJJFJIJC-UHFFFAOYSA-N
-rxn:5:193756:225605:226177,Cc1cnc(OC2CCCC2)c(-c2ccc(C(=O)N3CCCCC3C)c(-c3ccnc(C4CCCCC4)c3)c2)c1,MZZUXVKDCIAPFW-UHFFFAOYSA-N
-rxn:5:193756:225636:227025,CCc1ncc(C2CC2)cc1-c1cc(-c2ccnc(N3CCC(C)CC3)c2)ccc1C(=O)N1CCCCC1C,SRAZJIUGZVVTDR-UHFFFAOYSA-N
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-rxn:5:193756:225806:226183,CC1CCCCN1C(=O)c1ccc(-c2cnc(OC3CCCC3)cc2F)cc1-c1cnccc1C1CCCCC1,ZRGLMDWDGIHLTA-UHFFFAOYSA-N
-rxn:5:193756:225806:227413,CC1CCCCN1C(=O)c1ccc(-c2cnc(OC3CCCC3)cc2F)cc1-c1cnc(C2CCC2)cc1F,VOAHZHAUGXOBEE-UHFFFAOYSA-N
-rxn:5:193756:225808:227025,CCc1ncc(C2CC2)cc1-c1cc(-c2cc(OC3CCCC3)ncc2F)ccc1C(=O)N1CCCCC1C,DGNHWQMTPPFZJM-UHFFFAOYSA-N
-rxn:5:193756:225818:226182,CC1CCCCN1C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2C2CC2)cc1-c1cccnc1C1CCCCC1,KBRJPJIXIXPLDX-UHFFFAOYSA-N
-rxn:5:193756:225818:226779,CC1CCCCN1C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2C2CC2)cc1-c1ccc(C(=O)C(F)(F)F)cc1,LJGLPXWZOHFLJH-UHFFFAOYSA-N
-rxn:5:193756:225819:225833,CC1CCCCN1C(=O)c1ccc(-c2cc(C(F)(F)F)ccc2C2CC2)cc1-c1ccnc(N2CCCCC2)c1F,JUILRFDIOVDFDG-UHFFFAOYSA-N
-rxn:5:193756:225940:227521,COC(=O)c1cnc(C)c(-c2cc(-c3cc(C(F)(F)F)cnc3C3CC3)ccc2C(=O)N2CCCCC2C)c1,QMBDLLKVYIMDJM-UHFFFAOYSA-N
-rxn:5:193756:226176:225808,CC1CCCCN1C(=O)c1ccc(-c2ccncc2C2CCCCC2)cc1-c1cc(OC2CCCC2)ncc1F,AGPLKPCBUDLQNF-UHFFFAOYSA-N
-rxn:5:193756:226182:226177,CC1CCCCN1C(=O)c1ccc(-c2cccnc2C2CCCCC2)cc1-c1ccnc(C2CCCCC2)c1,JBDSFUOEAZCNMH-UHFFFAOYSA-N
-rxn:5:193756:226338:226744,CCc1cc(-c2cc(-c3ccnc(OC4CCCC4)c3)ccc2C(=O)N2CCCCC2C)cnc1C(F)(F)F,SLRMMIAUHVYWPN-UHFFFAOYSA-N
-rxn:5:193756:226588:223136,CC1CCCCN1C(=O)c1ccc(-c2cc(OC3CCC3)ncc2F)cc1-c1ccncc1C1CCCNC1,CXNLXRDABOPTRV-UHFFFAOYSA-N
-rxn:5:193756:226588:225605,Cc1cnc(OC2CCCC2)c(-c2cc(-c3cc(OC4CCC4)ncc3F)ccc2C(=O)N2CCCCC2C)c1,XLTYPIWBPXHUGF-UHFFFAOYSA-N
-rxn:5:193756:226747:226842,CCc1ncc(-c2ccc(C(=O)N3CCCCC3C)c(-c3cncc(C(=O)C(F)(F)F)c3)c2)cc1C(F)(F)F,KVUBSMULFQMPDH-UHFFFAOYSA-N
-rxn:5:193756:226779:226366,CC1CCCCN1C(=O)c1ccc(-c2ccc(C(=O)C(F)(F)F)cc2)cc1-c1ccnc(N2CCCCC2)c1,LTBWVWBXCFENOX-UHFFFAOYSA-N
-rxn:5:193756:227377:225640,CC1CCCCN1C(=O)c1ccc(-c2cncnc2C2CCCC2)cc1-c1ccnc(N2CCCCC2C)c1,RJVSACKWNMBVMI-UHFFFAOYSA-N
-rxn:5:193756:227387:226176,CC1CCCCN1C(=O)c1ccc(-c2ccnc(N3CCCC3)c2)cc1-c1ccncc1C1CCCCC1,RAXBHVOXEBAXLY-UHFFFAOYSA-N
-rxn:5:193756:227521:226437,COC(=O)c1cnc(C)c(-c2ccc(C(=O)N3CCCCC3C)c(-c3cc(C4CCCC4)ncc3F)c2)c1,WRKCXSQPAVPAOA-UHFFFAOYSA-N
-rxn:5:193756:227960:225591,CC1CCCCN1C(=O)c1ccc(-c2ccncc2C2CCC2)cc1-c1cc(CN2CCCC2)ccc1F,UCIOBIPGTXITJB-UHFFFAOYSA-N
-rxn:5:193756:227968:222981,CC1CCCCN1C(=O)c1ccc(-c2cnccc2C2CCC2)cc1-c1ccnc(NC2CCCCC2)c1,KQNYBJZYWNLGMX-UHFFFAOYSA-N
-rxn:5:193866:228282:226843,CC(F)(F)c1ccccc1-c1ccc(C2(N3CCC(=O)CC3)CC2)cc1-c1ccc(C(=O)C(F)(F)F)nc1,IKDAAATVHCJTJE-UHFFFAOYSA-N
-rxn:5:193871:225823:225886,CC(C)c1cc(-c2cc(C(=O)N3CCC4(CC3)CC4)ccc2-c2ccc3c(ccn3S(C)(=O)=O)c2)cc(C(F)(F)F)c1,PVOWRBWLLAPUTC-UHFFFAOYSA-N
-rxn:5:193972:222960:227626,Cc1cc(-c2cc(C)c(-c3cnc(C4CCOC4)nc3)cc2S(=O)(=O)N2CCCCCC2)cc(C2CCNCC2)c1,KISAVKCXZKEKMR-UHFFFAOYSA-N
-rxn:5:193972:228415:227045,Cc1cc(-c2cc(F)ccc2C(F)F)c(S(=O)(=O)N2CCCCCC2)cc1-c1cccc(SC(C)(C)C)c1,WDTVQLCXTZAMGS-UHFFFAOYSA-N
-rxn:5:194058:225632:225943,CN1CCN(c2cccc(-c3cc4c(OS(=O)(=O)[O-])c[nH]c4cc3-c3ccc(C(=O)N4CCOCC4)s3)c2)CC1,NXWQHOMUBDGELY-UHFFFAOYSA-M
-rxn:5:194058:225805:226661,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2cc(N3CCN(C)CC3)cs2)s1)N1CCOCC1,UBJWKKABUPTFDR-UHFFFAOYSA-M
-rxn:5:194058:225943:222991,O=C(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2ccc(N3CCCC(O)C3)cc2)s1)N1CCOCC1,NFJOIZZHZYDRMM-UHFFFAOYSA-M
-rxn:5:194058:225943:222992,O=C(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2ccc(N3CCCCC3O)cc2)s1)N1CCOCC1,WBYLTQBTRSSDKR-UHFFFAOYSA-M
-rxn:5:194058:225943:222994,O=C(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2cccc(N3CCC(O)CC3)c2)s1)N1CCOCC1,FKRDIGFECKSSSS-UHFFFAOYSA-M
-rxn:5:194058:225943:222995,O=C(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2cccc(N3CCCC(O)C3)c2)s1)N1CCOCC1,ZKUSMTIUXGSRFT-UHFFFAOYSA-M
-rxn:5:194058:225943:225632,CN1CCN(c2cccc(-c3cc4[nH]cc(OS(=O)(=O)[O-])c4cc3-c3ccc(C(=O)N4CCOCC4)s3)c2)CC1,DJBYAEZPGBJPIK-UHFFFAOYSA-M
-rxn:5:194058:225943:225803,O=C(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2ccnc(OC3CCOCC3)c2)s1)N1CCOCC1,WXQZDZNCDJTUHF-UHFFFAOYSA-M
-rxn:5:194522:226661:226661,CC(C)CN1CCc2c1ccc(-c1cc(N3CCN(C)CC3)cs1)c2-c1cc(N2CCN(C)CC2)cs1,BRQPIANXTHBCHB-UHFFFAOYSA-N
-rxn:5:194522:226661:226662,CC(C)CN1CCc2c1ccc(-c1cc(N3CCN(C)CC3)cs1)c2-c1ccc(N2CCN(C)CC2)s1,UQBKSBXSRLLACL-UHFFFAOYSA-N
-rxn:5:194522:226662:226661,CC(C)CN1CCc2c1ccc(-c1ccc(N3CCN(C)CC3)s1)c2-c1cc(N2CCN(C)CC2)cs1,RHYXTJXULKJKDX-UHFFFAOYSA-N
-rxn:5:194522:226662:226662,CC(C)CN1CCc2c1ccc(-c1ccc(N3CCN(C)CC3)s1)c2-c1ccc(N2CCN(C)CC2)s1,QUTPESJPMLCHNT-UHFFFAOYSA-N
-rxn:5:194767:228803:228496,C[Si](C)(C)c1csc(-c2ccc(-c3cnn(CC(F)(F)F)c3)c(C(=O)N3CCCC4(C3)OC(=O)c3ccccc34)c2)c1,KTYFXWMMXLHUCD-UHFFFAOYSA-N
-rxn:5:196859:225832:226414,Cc1nn(C2CCCCO2)c(C)c1-c1c(C2CCOCC2)ccnc1-c1ccc(C2=NCCCO2)cc1,AZDKRPWVRMCVQI-UHFFFAOYSA-N
-rxn:5:196859:226183:225832,Cc1nn(C2CCCCO2)c(C)c1-c1nccc(C2CCOCC2)c1-c1cnccc1C1CCCCC1,WISIJSXAWTZTRZ-UHFFFAOYSA-N
-rxn:5:196873:225451:226686,Cc1cnn(C2CCCCO2)c1-c1cc(N2CCOCC2)ccc1-c1ccc(SC2CCCCC2)cc1,VULFDEHRGFUDKE-UHFFFAOYSA-N
-rxn:5:196971:226177:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2ccnc(C3CCCCC3)c2)ncc1C1CCCCC1,QKYCHBBPPNQCHY-UHFFFAOYSA-N
-rxn:5:197876:223082:227761,CNS(=O)(=O)c1c(C)cc(-c2cc3c(cc2-c2ccc(F)cc2C(F)(F)F)C(=O)N(C(C)(C)C)S3(=O)=O)cc1C,NNJRLDJLSUCWQH-UHFFFAOYSA-N
-rxn:5:197876:223189:226709,Cc1cc(C(F)(F)F)cc(C)c1-c1cc2c(cc1-c1ccc(NS(C)(=O)=O)cc1F)S(=O)(=O)N(C(C)(C)C)C2=O,AAYHBRGAAQWGFC-UHFFFAOYSA-N
-rxn:5:197876:223189:227659,Cc1c(-c2cc3c(cc2-c2ccc(NS(C)(=O)=O)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cccc1C(F)(F)F,QDSCLHZWWPYICT-UHFFFAOYSA-N
-rxn:5:197876:225438:227808,CC(c1ccc(-c2cc3c(cc2-c2ccc4c(c2)CCCC4)C(=O)N(C(C)(C)C)S3(=O)=O)cc1)N1CCCC1,GMQCRIBNVUSKBQ-UHFFFAOYSA-N
-rxn:5:197876:225498:223421,CNC(C)c1ccc(-c2cc3c(cc2-c2cc(C4CCCCC4)ccc2F)S(=O)(=O)N(C(C)(C)C)C3=O)s1,BPYPFXGGRNUMDW-UHFFFAOYSA-N
-rxn:5:197876:225499:227906,CCC(C)c1ncccc1-c1cc2c(cc1-c1ccc(C3CCCCC3)cc1F)S(=O)(=O)N(C(C)(C)C)C2=O,WVHHZWCEUKTAJC-UHFFFAOYSA-N
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-rxn:5:197876:227750:227084,Cc1nc(C(C)(C)C)ccc1-c1cc2c(cc1-c1cccc(F)c1C(F)(F)F)S(=O)(=O)N(C(C)(C)C)C2=O,SZTBTKREFPHGMN-UHFFFAOYSA-N
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-rxn:5:197876:227978:225946,CC(=O)c1cc(-c2cc3c(cc2-c2cc(C(C)C)ccc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc(C(F)(F)F)c1,SMGBWMMXFUCUKO-UHFFFAOYSA-N
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-rxn:5:197876:228502:227560,COc1ccc(-c2cc3c(cc2-c2nn(C)cc2C(F)(F)F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1C(F)F,MZCWSBOGTVQIKZ-UHFFFAOYSA-N
-rxn:5:197876:228524:225603,CC(C)(C)N1C(=O)c2cc(-c3cccc(C4(C#N)CCC4)c3F)c(-c3cnc4c(c3)CCC4)cc2S1(=O)=O,DJKUCCJHZRCQQJ-UHFFFAOYSA-N
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-rxn:5:197876:228616:225937,CSc1ccc(-c2cc3c(cc2-c2cc(C(F)(F)F)ncc2C(C)C)C(=O)N(C(C)(C)C)S3(=O)=O)c(C)c1,ZELRJESFRPTMLQ-UHFFFAOYSA-N
-rxn:5:197876:228644:225945,Cc1cc(-c2cc3c(cc2-c2ccc(C#CC(F)(F)F)c(F)c2)C(=O)N(C(C)(C)C)S3(=O)=O)cc(C)c1F,AWCAPLXPRCBECT-UHFFFAOYSA-N
-rxn:5:197876:228930:225499,CSc1c(-c2cc3c(cc2-c2ccc(C4CCCCC4)cc2F)C(=O)N(C(C)(C)C)S3(=O)=O)ccnc1F,RCBKTILCTZDHFC-UHFFFAOYSA-N
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-rxn:5:197876:229016:225823,CC(C)c1cc(-c2cc3c(cc2-c2ccsc2C2CC2)S(=O)(=O)N(C(C)(C)C)C3=O)cc(C(F)(F)F)c1,IALAZBMEWCWUII-UHFFFAOYSA-N
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-rxn:5:227941:178295:227052,COCc1cc(C)cc(-c2ccc(-c3ccc(SC(C)(C)C)cc3)cc2C2(C(=O)OC)CCC(=O)CC2)c1,LLNZDCOGOLRQHB-UHFFFAOYSA-N
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-rxn:4:173402:222701,CCOC(=O)C(=O)c1cc(OC)c(OC)cc1-c1cc(C2CCCNC2)cc(C(F)(F)F)c1,GZVMQFOVYNGRJW-UHFFFAOYSA-N
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-rxn:4:173554:222918,CC(C)(C)NS(=O)(=O)c1cccc(-c2cc(C(=O)OC(C)(C)C)ccc2C(=O)OC(C)(C)C)c1,QJELBKUTVQPYMY-UHFFFAOYSA-N
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-rxn:4:173641:223091,Cc1oc2cc(-c3cnc(NC(=O)OC(C)(C)C)s3)c(OC(=O)C(C)C)cc2c1C(=O)OC(C)C,PUSLMLWGPSXJPU-UHFFFAOYSA-N
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-rxn:4:173688:223179,CONC(=O)c1cc(-c2ccccc2C=C2Oc3cc(OCC(=O)OC(C)(C)C)ccc3C2=O)ccc1F,DEMHMVCVKCXRGY-UHFFFAOYSA-N
-rxn:4:173704:224156,COc1cccc2c(-c3cc4ccccc4n3C(=O)OC(C)(C)C)ccc(O[Si](C(C)C)(C(C)C)C(C)C)c12,ZEHICWPDUOSJAB-UHFFFAOYSA-N
-rxn:4:173723:222714,CC(C)(C)OC(=O)Nc1cc(F)c(F)c(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)c1,TYHMYQIZNVRTMI-UHFFFAOYSA-N
-rxn:4:173723:223787,CN1CCN(CCCOc2ccc(-c3ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc3)cc2F)CC1,UBFXAZBOBFBOKE-UHFFFAOYSA-N
-rxn:4:173723:224290,O=C(COS(=O)(=O)C(F)(F)F)c1ccc(-c2ccc(Cl)cc2OCCN2CCOCC2)cc1,SLGHRFSWDSSMIG-UHFFFAOYSA-N
-rxn:4:173723:224759,O=C(COS(=O)(=O)C(F)(F)F)c1ccc(-c2cc(F)cc(C(=O)N3CCOCC3)c2)cc1,MUGGLJLQDASVNI-UHFFFAOYSA-N
-rxn:4:173761:223896,COC(=O)C(=O)CC(=O)c1cccc(-c2cccc(OC)c2C(=O)N(C(C)C)C(C)C)c1,GKRBUJWAYADVEW-UHFFFAOYSA-N
-rxn:4:173785:224082,CCC(C(=O)OC(C)(C)C)c1cccc(-c2cc(C(=O)OC)cc(F)c2OCC(F)F)c1,BTUDJSAJVHUHJK-UHFFFAOYSA-N
-rxn:4:173802:222901,CCCS(=O)(=O)NCc1ccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)cc1,NELIVMXQQVKWGJ-UHFFFAOYSA-N
-rxn:4:173802:224406,O=S(=O)(c1cc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)ccc1F)N1CCOCC1,DJEJFJDJYVAQOZ-UHFFFAOYSA-N
-rxn:4:173802:224615,O=S(=O)(OC(c1ccc(-c2cccc(OCCN3CCOCC3)c2)cc1)C(F)(F)F)C(F)(F)F,YSFDNDJYQYYPOT-UHFFFAOYSA-N
-rxn:4:173802:225583,O=C(c1cccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)c1)N1CCCC1,JBAYVEIYYWVNLC-UHFFFAOYSA-N
-rxn:4:173802:226716,CC(C)(C)OC(=O)n1ccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)n1,SDYMXSKTDYJXJR-UHFFFAOYSA-N
-rxn:4:173810:223102,CC(C)(C)NS(=O)(=O)c1sccc1-c1ccc(C(F)(F)F)c(OC(C(F)(F)F)C(F)(F)F)c1,BCLIBEWJBTXWAS-UHFFFAOYSA-N
-rxn:4:173911:223481,COC(=O)Cc1ccc(C(=O)OC)cc1-c1ccc(S(=O)(=O)N2CCC(O[Si](C)(C)C(C)(C)C)CC2)cc1F,WKGPEOXTOFEWHX-UHFFFAOYSA-N
-rxn:4:173926:223569,C#Cc1cc(F)c(OC(C)C(=O)OC)c(-c2cnc3c(ccn3[Si](C(C)C)(C(C)C)C(C)C)c2F)c1,CMVATTFGRLJLFT-UHFFFAOYSA-N
-rxn:4:174017:224829,COC(=O)c1ccc(-c2cc(OCC(C)(F)F)c(F)cc2C(=O)OC)cc1OC(F)(F)F,NMBDDWGEIUNFOE-UHFFFAOYSA-N
-rxn:4:174036:223844,CCOC(OCC)c1ccc(Cl)cc1-c1ccc(S(=O)(=O)N2CCCC2)cc1C(F)(F)F,HAWCKZNQULXUNC-UHFFFAOYSA-N
-rxn:4:174248:223786,COC(=O)c1cc(-c2ccc(OC(F)(F)F)cc2)ccc1-c1ccc(OCCCN2CCN(C)CC2)c(Cl)c1,IUPGWGROIMVIHB-UHFFFAOYSA-N
-rxn:4:174406:223818,COC(=O)C1(c2ccc(-c3c(F)cc(F)c4c3ccn4C(=O)OC(C)(C)C)cc2)CC(OC)(OC)C1,PXRFSPFYZXIAAJ-UHFFFAOYSA-N
-rxn:4:174433:224420,Cc1cc2c(cc1-c1ccc(OC(C)C)cc1C(=O)OC(C)(C)C)C(C)(C)CCC2(C)C,TWOMRJXNTOTATJ-UHFFFAOYSA-N
-rxn:4:174446:223894,COC(=O)c1cc(-c2cccc(OCCCN3CCN(C)CC3)c2)c(-c2ccc(F)cc2)cc1OC(C)C,HGNKAVYBTKUBRM-UHFFFAOYSA-N
-rxn:4:174480:222545,CC(C)(C)OC(=O)NC(C)(C)c1ccc(-c2cc(C(=O)OC(C)(C)C)cc(-c3ccccc3C(F)(F)F)c2)cc1,QKIBKHZZWYNNRW-UHFFFAOYSA-N
-rxn:4:174480:223557,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3cc(C(=O)OC(C)(C)C)cc(-c4ccccc4C(F)(F)F)c3)c(F)ccc21,CVMXGEYESOTCEK-UHFFFAOYSA-N
-rxn:4:174493:226493,COCCOc1ccc(-c2cc(C(=O)CCCC3OCC(C)(C)CO3)ccc2Cl)c(Cl)c1,ICXBIFCEONZLKG-UHFFFAOYSA-N
-rxn:4:174514:222787,CC(C)[Si](Oc1cccc(-c2ccc(NC(=O)OC(C)(C)C)cc2Cl)c1)(C(C)C)C(C)C,XDFOSAGIEVPKBI-UHFFFAOYSA-N
-rxn:4:174517:224655,CCCCCC1CCC(c2ccc(-c3ccc(O[Si](C)(C)C(C)(C)C)cc3F)cc2)CC1,WAMVHYPFOXYRQY-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:4:174528:222825,COc1ccc(C)c(-c2c(C(C)C)cc(C(C)C)cc2C(C)C)c1-c1cc(Cl)ccc1S(=O)(=O)NC(C)(C)C,WLSPJAUNJSMIHZ-UHFFFAOYSA-N
-rxn:4:174528:223936,COc1ccc(C)c(-c2c(C(C)C)cc(C(C)C)cc2C(C)C)c1-c1cc2c(F)cccc2n1C(=O)OC(C)(C)C,DOCZTDDDSOYNBB-UHFFFAOYSA-N
-rxn:4:174528:225269,COC(=O)c1ccc(-c2c(OC)ccc(C)c2-c2c(C(C)C)cc(C(C)C)cc2C(C)C)c(C(=O)OC)c1,RSBHFTKXJNDMSZ-UHFFFAOYSA-N
-rxn:4:174571:223785,CCN1CCN(CCOc2ccc(-c3ccc4cc(OCC(=O)OC(C)(C)C)ccc4c3)cc2Cl)CC1,VXZXVMBKQDJUIF-UHFFFAOYSA-N
-rxn:4:174593:222637,COC(=O)c1c(C)oc2cc(-c3ccc(C(C)NC(=O)OC(C)(C)C)cc3)c(OC(=O)C(C)(C)C)cc12,FDOSZECZTLLOLL-UHFFFAOYSA-N
-rxn:4:174645:224738,COc1cccc(C=C2Oc3cc(OS(=O)(=O)c4ccc(-c5cc(OCC6CC6)cc(C(F)(F)F)c5)cc4)ccc3C2=O)c1,CFWFQEAMMIWYLC-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:4:174730:222524,COC(=O)c1ccc(OC(F)(F)F)c(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC(O)CC2)c1,OUXZJJDTLORJMM-UHFFFAOYSA-N
-rxn:4:174997:223590,CCCCOc1ccc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2C)c(F)c1Cl,ICYULFRQINFXRC-UHFFFAOYSA-N
-rxn:4:175055:223689,CCOc1cc(-c2ccc(OC)c(S(=O)(=O)N3CCN(CC)CC3)c2)cc(C(=O)OC)c1F,SQHIREVTOMXISU-UHFFFAOYSA-N
-rxn:4:175071:223754,CCOC(=O)c1cc(-c2ccc(OCCCN3CCC(C)CC3)c(Cl)c2)cc(SC)c1F,HPFAQKIKUJFIPB-UHFFFAOYSA-N
-rxn:4:175090:224325,CS(=O)(=O)OC(c1ccc(-c2ccc(C3=CCN(S(C)(=O)=O)CC3)cc2)cc1)C(F)(F)F,ZULFOJVURKTRKO-UHFFFAOYSA-N
-rxn:4:175295:223679,CCN1CCN(S(=O)(=O)c2c(C)cc(-c3cc(F)ccc3OCCC(C)C)cc2C)CC1,QZVWFKDMOXIKKM-UHFFFAOYSA-N
-rxn:4:175800:222389,COC(=O)c1cc(-c2ccc(C(F)(F)F)cc2)ccc1-c1cc(C2CCNCC2)nc(C2CCNCC2)c1,LTOJGPQPUMIGLZ-UHFFFAOYSA-N
-rxn:4:175840:223559,COC(=O)c1cccc(-c2ccc(OC)c(-c3ccc4c(c3)C(C)=CC(C)(C)N4C(=O)OC(C)(C)C)c2)c1,NOALGCGWBXPXKD-UHFFFAOYSA-N
-rxn:4:175996:224080,c1cc(-c2ccc(OC3CC3)c(SC3CCOCC3)c2)ccc1OCCCN1CCCCC1,DFUAXPFWCBPLEE-UHFFFAOYSA-N
-rxn:4:176115:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3cc(C(=O)OC(C)(C)C)cc(-c4cccc(F)c4)c3)cc21,UYYHITQFXGVOQB-UHFFFAOYSA-N
-rxn:4:176165:223599,Cc1ccc(F)c(-c2cc(C(=O)OC(C)(C)C)cc(-c3cc4cc(C(F)(F)F)ccc4n3C(=O)OC(C)(C)C)c2)c1,LBXRJQIYUDYEAA-UHFFFAOYSA-N
-rxn:4:176196:224313,CCOC(=O)C1=Cc2cc(-c3ccc(Cl)c(C(=O)N4CCN(C)CC4)c3)ccc2OC1C(F)(F)F,ZSJTYIRPSGVAGP-UHFFFAOYSA-N
-rxn:4:176306:223179,CONC(=O)c1cc(-c2ccc(C=C3Oc4cc(OC(=O)C5CCCCC5)ccc4C3=O)cc2)ccc1F,YFWJGYUAPWHFEF-UHFFFAOYSA-N
-rxn:4:176316:223179,CONC(=O)c1cc(-c2ccc(OCC(F)(F)F)c(C3C4CC5CC(C4)CC3C5)c2)ccc1F,QKCIPLUOCBMDGW-UHFFFAOYSA-N
-rxn:4:176316:226844,O=C(c1cc(-c2ccc(OCC(F)(F)F)c(C3C4CC5CC(C4)CC3C5)c2)ccn1)C(F)(F)F,GPRACXAQQVDODT-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:4:176322:224896,CCC1(CC)CC(C)(C)c2c1cc1c(c2-c2ccc(C(=O)c3ccccc3)cc2)C(C)(C)CC1(CC)CC,CYNYKCYBPMIVRF-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:4:176514:224368,CN(C(=O)OC(C)(C)C)c1cc(-c2cc(C(=O)C(F)(F)F)cc(C(F)(F)F)c2)cnc1Cl,SULVCILYRFKGKE-UHFFFAOYSA-N
-rxn:4:176704:223831,COC(=O)c1ccc(C(F)(F)F)cc1-c1ccc(OC)c(S(=O)(=O)N2CCC(C)CC2)c1,ZUWHEYNWSPRUGO-UHFFFAOYSA-N
-rxn:4:177057:223559,COC(=O)c1cc(C(C)=O)ccc1-c1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)OC(C)(C)C,PVYVTTWTDDGZDY-UHFFFAOYSA-N
-rxn:4:177717:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3ccc(C(=O)OC(C)C)cc3C)cc21,ZDGIWLIKSYKQPI-UHFFFAOYSA-N
-rxn:4:178025:223786,COc1cc(C2OCCO2)cc(-c2ccc(OCCCN3CCN(C)CC3)c(Cl)c2)c1OC,INUFFSWEXZPDTD-UHFFFAOYSA-N
-rxn:4:178288:224420,COC(=O)C1(c2ccc(-c3cc4c(cc3C)C(C)(C)CCC4(C)C)cc2)CCC(=O)CC1,XCIVCWKMGNYZQL-UHFFFAOYSA-N
-rxn:4:178292:222709,COC(=O)C1(c2cccc(-c3cc(C(=O)NC(C)(C)C)cc([N+](=O)[O-])c3)c2)CCC(=O)CC1,VWGRSZMMUGJSAG-UHFFFAOYSA-N
-rxn:4:178369:223582,COC(=O)c1ccc2cc(-c3c(C(C)C)cc(C(C)C)cc3C(C)C)n(C(=O)OC(C)(C)C)c2c1,LEDFYYYDJUTFHT-UHFFFAOYSA-N
-rxn:4:178384:226179,c1ncc(C2CCCCC2)cc1-c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1,SHFRWJQAXNDOBL-UHFFFAOYSA-N
-rxn:4:178384:226448,Clc1ncc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)cc1C1CCCC1,OGRCJIXMNJDLQA-UHFFFAOYSA-N
-rxn:4:178384:226490,COCCOc1ccc(F)c(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c1,MZAVHYCOPXOYDM-UHFFFAOYSA-N
-rxn:4:178384:227248,CCCOc1cc(Cl)cc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c1,QWQZPHOLCPSMGD-UHFFFAOYSA-N
-rxn:4:178384:228784,COc1cc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)ccc1F,YRXAUWSCVQBJID-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:4:179266:223559,CC(=O)Cc1ccc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)c(Cl)c1F,BTFGSPOUZDQYPH-UHFFFAOYSA-N
-rxn:4:180099:223559,CC(=O)C(C)(C)c1ccc(F)c(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)c1,CZHVZGIBFMEACT-UHFFFAOYSA-N
-rxn:4:180165:222426,CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)Nc1ccc(-c3ccc(C4CCOC4)c(C(F)(F)F)c3)cc12,TYTZCQFWJOHDCZ-UHFFFAOYSA-N
-rxn:4:180269:223835,COc1ccc(-c2cc(S(=O)(=O)N3CCC(C)CC3)c(C)cc2F)cc1C1SCCCS1,DIPLBABHUSGQQW-UHFFFAOYSA-N
-rxn:4:180527:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3cc(C4CCCCC4)cc(C4CC4)c3)cc2)CC1,OLGMWHRWRTWNDN-UHFFFAOYSA-N
-rxn:4:180610:224719,CC(C)c1nn(C(=O)OC(C)(C)C)cc1-c1ccc2c(c1)CC(C(=O)C(F)(F)F)C2=O,ZZYGOJGETLIJBM-UHFFFAOYSA-N
-rxn:4:180792:223893,CCOC1CCC2(CC1)Cc1ccc(-c3cccc(OCCN4CCN(CC)CC4)c3)cc1C2=O,BLFCXBSCEYXZDX-UHFFFAOYSA-N
-rxn:4:180815:224588,COc1ccc(-c2cc(F)cc(CN3CCC(C)CC3)c2)cc1C12CC3CC(CC(C3)C1)C2,UFBSKPXRPTWMSC-UHFFFAOYSA-N
-rxn:4:180855:223567,CC(C)Oc1ccc2c(c1)cc(-c1ccc3c(c1)C1(c4ccccc4-3)c3cc(C(C)(C)C)ccc3-c3ccc(C(C)(C)C)cc31)n2C(=O)OC(C)(C)C,BFXIPVOKJUMSEB-UHFFFAOYSA-N
-rxn:4:181010:223490,Cc1ccc(-c2cc(F)cc(F)c2C(F)F)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,KVBMWQWDUDEXFG-UHFFFAOYSA-N
-rxn:4:181442:223505,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(-c3cc(F)ccc3C3CC3)cc2)CC1,PBJKDWHXLKWQIB-UHFFFAOYSA-N
-rxn:4:182372:224426,CO[C@H]1CC[C@]2(CC1)Cc1ccc(-c3cc(C4CCCCC4)cc(C4CC4)c3)cc1C2=O,GITXFJRXUVRIRP-CCURTVBJSA-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:4:182416:223279,CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1ccc(-c2cnc(C3CCCN3)nc2)cc1,OIAQJHDFPXFJTH-UHFFFAOYSA-N
-rxn:4:183257:224009,COc1ccc(-c2ccc3c(c2)COC2(CCOCC2)O3)cc1S(=O)(=O)N1CCOCC1,ZRPWRZRVDKFOHH-UHFFFAOYSA-N
-rxn:4:183272:226172,Cc1ccc(N2CCCC2)cc1-c1ccc2c(c1)OCCOCCOCCOCCOCCO2,ZSHLFUMKQDNYBB-UHFFFAOYSA-N
-rxn:4:183273:226430,Cc1ccc(-c2nccs2)cc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,PELYHNIUQYJAGA-UHFFFAOYSA-N
-rxn:4:183273:227113,Cc1cc(F)c(C2CC2)cc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,MJUCJBBFWZRKFZ-UHFFFAOYSA-N
-rxn:4:183273:227540,COc1c(F)cc(SC)cc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,UUHZLHLCNDWUDO-UHFFFAOYSA-N
-rxn:4:183273:228395,COc1cc(F)c(F)cc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,RUDKPEHGJHMEQM-UHFFFAOYSA-N
-rxn:4:183274:228820,Cc1ccc(F)c(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCOCCO3)c1Cl,XMQUAUZXKDIHDL-UHFFFAOYSA-N
-rxn:4:183524:223501,CCOC(=O)Cc1c(C#N)cc(C(F)(F)F)cc1-c1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c(Cl)c1,OBYKSMSBBNQFLU-UHFFFAOYSA-N
-rxn:4:183535:224890,CCOC(=O)Cc1c(C#N)cc(-c2cc(C3CC3)cc(N3CCCC3)c2)cc1C(F)(F)F,CKBGTISZXLNHEW-UHFFFAOYSA-N
-rxn:4:183605:223952,COC(=O)c1cc(OCC2CC2)c(-c2ccc(OCCN3CCN(C)CC3)c(Cl)c2)cc1[N+](=O)[O-],KMIOXNZEYFHPDB-UHFFFAOYSA-N
-rxn:4:183640:223843,CCN(CC)S(=O)(=O)c1ccc(-c2cc(C(C(=O)OC)C(=O)OC)c([N+](=O)[O-])cc2C)c(C(F)(F)F)c1,VCNIVKDOLZQNRD-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:4:183668:222679,COc1ccc(NC(=O)OC(C)(C)C)cc1-c1ccc(C(=O)C(C#N)C(=O)OC(C)(C)C)cc1,AIELSMBEDFRBIE-UHFFFAOYSA-N
-rxn:4:183695:222651,O=C(NC1CCCCC1)c1ccc(F)c(-c2cc(OC(F)(F)F)ccc2OCC(=O)N2CCCC2)c1,JKLUYSGQIBQOLE-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:4:183729:223279,O=C(COc1ccc(OC(F)(F)F)cc1-c1cnc(C2CCCN2)nc1)N1CCOCC1,RCYSFJSFFITLTL-UHFFFAOYSA-N
-rxn:4:183751:223279,CCCOC(=O)CN1C(=O)C(=Cc2cccc(-c3cnc(C4CCCN4)nc3)c2)SC1=S,AOASTSFTAZUXJA-UHFFFAOYSA-N
-rxn:4:183755:223279,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cnc(C3CCCN3)nc2)cc1OCC1CC1,CCWCMIYSPUBKDI-UHFFFAOYSA-N
-rxn:4:183762:222700,COC(=O)c1cc(OCCN2CCCC2)cc(-c2ccc(C(F)(F)F)cc2C2CCCNC2)c1,CDUYECUTEZMXEC-UHFFFAOYSA-N
-rxn:4:183769:223279,O=C(COc1ccc(OC(F)(F)F)cc1-c1cnc(C2CCCN2)nc1)N1CCCCC1,DEFIERQPPJTRSK-UHFFFAOYSA-N
-rxn:4:183770:223179,CONC(=O)c1cc(-c2ccc(OC(F)(F)F)cc2OCC(=O)N2CCCCC2)ccc1F,PZXXUCUPTPFRQP-UHFFFAOYSA-N
-rxn:4:183770:223279,O=C(COc1cc(OC(F)(F)F)ccc1-c1cnc(C2CCCN2)nc1)N1CCCCC1,KBWDHGGLNIUFHZ-UHFFFAOYSA-N
-rxn:4:183788:225128,CCN(Cc1cccc(Cl)c1-c1cc(C2(C(=O)OC)CC2)ccc1F)C(=O)OC(C)(C)C,VCKOVUPQOOWOKI-UHFFFAOYSA-N
-rxn:4:183830:224078,CC(C)(C)OC(=O)N(Cc1ccc(-c2cccc3c2ccn3[Si](C)(C)C(C)(C)C)cc1F)C1CC1,VWRGNGMVJLOERU-UHFFFAOYSA-N
-rxn:4:183842:223279,CC1CN(CCOc2cc(OC(F)(F)F)ccc2-c2cnc(C3CCCN3)nc2)CCO1,KXBNZVOCCPTQQP-UHFFFAOYSA-N
-rxn:4:183892:223279,COC(=O)c1cc(OCCN2CCC(F)(F)CC2)cc(-c2cnc(C3CCCN3)nc2)c1,IHULLDKMUKSXEE-UHFFFAOYSA-N
-rxn:4:183893:227659,Cc1c(-c2cccc(F)c2OCCCN2CCCC(C(F)(F)F)C2)cccc1C(F)(F)F,BQKYMMZWBGNFQF-UHFFFAOYSA-N
-rxn:4:183894:224321,CC1CCN(S(=O)(=O)c2cccc(-c3cccc(F)c3OCCCN3CCC(C(F)(F)F)CC3)c2)CC1,KKVCQRXTUWUVGP-UHFFFAOYSA-N
-rxn:4:183894:226544,COC(=O)c1ccc(-c2cccc(F)c2OCCCN2CCC(C(F)(F)F)CC2)c(OC)c1,RBVGGGUCAKESJM-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:4:183905:226889,CCCCN(C(=O)c1ccc(-c2cc(Cl)cc(C(F)(F)F)c2F)cc1)C1CCS(=O)(=O)C1,YWNVGNOZYLELAQ-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:4:183911:223279,CC1CCCCN1CCOc1cc(OC(F)(F)F)ccc1-c1cnc(C2CCCN2)nc1,SGNQXNIAYXMRHG-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:4:183915:224617,CC1CCN(CCOc2ccc(OC(F)(F)F)cc2-c2ccc(OCCN3CCCC3)c(Cl)c2)CC1,JYDIMRQALMPRNN-UHFFFAOYSA-N
-rxn:4:183915:226760,COC(=O)c1cc(-c2cc(OC(F)(F)F)ccc2OCCN2CCC(C)CC2)cc(F)c1F,DKPHHONXSKBHQN-UHFFFAOYSA-N
-rxn:4:183928:224157,CC(c1ccc(-c2cn(C(=O)OC(C)(C)C)c3ccccc23)cc1)N(C(=O)OC(C)(C)C)C1CC1,UMYRMLKCPOSDCF-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:4:183959:223179,CONC(=O)c1cc(-c2ccc(OCC3CN(C(=O)OC(C)(C)C)C3)c(C)c2)ccc1F,MBWYRPYZGXYTGR-UHFFFAOYSA-N
-rxn:4:183966:224621,CC(C)(C)OC(=O)N1CCC(COc2cc(Cl)cc(-c3ccc(OCCN4CCSCC4)cc3)c2)C1,XDQDFUJDRLWUFY-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:4:183969:223279,CCOC(=O)C1CCN(S(=O)(=O)c2ccc(-c3cnc(C4CCCN4)nc3)c(OC)c2)CC1,KPWOPMHVIGPQFM-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:4:183969:228143,CCCc1ncc(-c2ccc(S(=O)(=O)N3CCC(C(=O)OCC)CC3)cc2OC)cc1Cl,WLCIENLNIPRDQP-UHFFFAOYSA-N
-rxn:4:183983:224268,Cc1ccc(-c2ccc3c(cnn3C(=O)OC(C)(C)C)c2)cc1CN(C(=O)OC(C)(C)C)C(C)C,PSXJSFKTSUIBQB-UHFFFAOYSA-N
-rxn:4:183993:226258,CCCOC(=O)c1cccc(-c2ccc(C)c(CN(C(=O)OC(C)(C)C)C3CCC3)c2)c1,RYLNWKUTSTVFIQ-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:4:183998:223279,CC(C)(C)OC(=O)N(Cc1ccc(-c2cnc(C3CCCN3)nc2)cc1F)C1CCCC1,NQLUHJGOYFSJEW-UHFFFAOYSA-N
-rxn:4:183999:223179,CONC(=O)c1cc(-c2ccc(CN(C(=O)OC(C)(C)C)C3CCCC3)cc2F)ccc1F,WTOCVDUJSWTJSD-UHFFFAOYSA-N
-rxn:4:183999:223279,CC(C)(C)OC(=O)N(Cc1ccc(-c2cnc(C3CCCN3)nc2)c(F)c1)C1CCCC1,QLACWUWFACOZKH-UHFFFAOYSA-N
-rxn:4:184001:223930,COC(=O)C1(c2ccc(-c3cc4cnn(C(=O)OC(C)(C)C)c4cc3C)cc2Cl)CCN(C(=O)OC(C)(C)C)C1,FJFILVXEEXBJQY-UHFFFAOYSA-N
-rxn:4:184001:227818,CCC(C)c1cccc(-c2ccc(C3(C(=O)OC)CCN(C(=O)OC(C)(C)C)C3)c(Cl)c2)c1,YPYBUYIKIWFUGI-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:4:184007:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3ccc(C(=NOC(=O)c4ccc(F)cc4)C4CC4c4ccc(Cl)cc4)cc3)c2Cl)CC1,PMYNXJLUUJOXKN-UHFFFAOYSA-N
-rxn:4:184011:223279,CCOc1cc(S(=O)(=O)N(CC)C2CCCCC2)ccc1-c1cnc(C2CCCN2)nc1,WYCOTDVEMJITHI-UHFFFAOYSA-N
-rxn:4:184012:225300,CCCOc1cc(S(=O)(=O)N(C)C2CCCCC2)ccc1-c1ccc(OC2CCOCC2)nc1F,DZLRJRZBERIMCI-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:4:184020:223179,CONC(=O)c1cc(-c2ccc(OC[C@@H]3CCCN3C(=O)OC(C)(C)C)c(C)c2)ccc1F,CLOODIIGNSIYLP-IBGZPJMESA-N
-rxn:4:184024:223279,CC(C)(C)OC(=O)N1CCCC(COc2cc(Cl)cc(-c3cnc(C4CCCN4)nc3)c2)C1,AJNWRGBYEIFMJY-UHFFFAOYSA-N
-rxn:4:184026:223279,CC(C)(C)OC(=O)N1CCCC(COc2cc(-c3cnc(C4CCCN4)nc3)ccc2Cl)C1,RLVRLSJOABSHAM-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:4:184029:226844,CC(C)(C)OC(=O)N1CCC(COc2cccc(-c3ccnc(C(=O)C(F)(F)F)c3)c2F)CC1,GWUKLIFQUZSLBQ-UHFFFAOYSA-N
-rxn:4:184046:224773,COc1cccc(C(=O)N(Cc2cccc(-c3ccc(S(=O)(=O)N4CCCC4)c(C)c3)c2)C2CCS(=O)(=O)C2)c1,CORYTRVPTCIVCK-UHFFFAOYSA-N
-rxn:4:184049:223179,CONC(=O)c1cc(-c2ccc(OC)cc2C(=O)N2CCC(S(=O)(=O)Cc3ccco3)CC2)ccc1F,HANCNOUVPAGCRY-UHFFFAOYSA-N
-rxn:4:184051:223179,CONC(=O)c1cc(-c2cccc(CN(C(=O)c3ccc(OC)c(Cl)c3)C3CCS(=O)(=O)C3)c2)ccc1F,SPKWVKMLPZHTDO-UHFFFAOYSA-N
-rxn:4:184054:223279,CC(C)CS(=O)(=O)C1CCN(C(=O)Cc2ccc(-c3cnc(C4CCCN4)nc3)cc2)CC1,DVQHAQDBZQRNDR-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:4:184061:223179,CONC(=O)c1cc(-c2ccc(N3CC(C(=O)OC(C)C(=O)c4ccc(C)cc4)CC3=O)cc2)ccc1F,XCQRIYIJEFACCT-UHFFFAOYSA-N
-rxn:4:184064:223279,Cc1ccc(CN(C(=O)OC(C)(C)C)C2CCCC2)c(-c2cnc(C3CCCN3)nc2)c1,CHKJNKOJRLNYEL-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:4:184067:226844,CC(C)(C)OC(=O)N(Cc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1)C1CCC(F)(F)CC1,NZPLLKSJGDMPEV-UHFFFAOYSA-N
-rxn:4:184068:223179,CONC(=O)c1cc(-c2ccccc2CCC(=O)N2CC(S(=O)(=O)C3CCCCC3)C2)ccc1F,RQFRCHVUSVIZDH-UHFFFAOYSA-N
-rxn:4:184070:227048,COC(=O)C1(c2ccc(-c3ccc(C(=O)C(C)C)cc3)cc2C)CCN(C(=O)OC(C)(C)C)C1,UNGOAELCQOYLSD-UHFFFAOYSA-N
-rxn:4:184070:227907,CCC(C)c1cncc(-c2ccc(C3(C(=O)OC)CCN(C(=O)OC(C)(C)C)C3)c(C)c2)c1,AGOQQIHENYABKW-UHFFFAOYSA-N
-rxn:4:184070:228592,COC(=O)C1(c2ccc(-c3cncc(C(C)C)c3)cc2C)CCN(C(=O)OC(C)(C)C)C1,NLFAHHBDARDHBC-UHFFFAOYSA-N
-rxn:4:184072:227981,CC(C)(C)OC(=O)N1CCCC(CS(=O)(=O)c2ccc(-c3ccc(C4CC4)cc3Cl)cc2)C1,MARDTOZCQVIPEU-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:4:184076:223842,CC1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2ccccc2CCC(=O)N2CCC(S(=O)(=O)c3ccccc3)CC2)CC1,UUVUWFPSRCSZFY-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:4:184091:226844,COc1cc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)c(OC)cc1-c1ccnc(C(=O)C(F)(F)F)c1,QDTPOIGJKJKOQK-UHFFFAOYSA-N
-rxn:4:184092:223891,CC(C)(C)c1ccc(C(=O)N(Cc2ccc(-c3c(F)ccc4c3ccn4[Si](C)(C)C(C)(C)C)o2)C2CCS(=O)(=O)C2)cc1,DHIGOBSXWHWPCG-UHFFFAOYSA-N
-rxn:4:184093:226028,CC(C)c1ccc(CN(C(=O)c2ccc(-c3ccc(C(F)(F)F)c(C#N)c3F)cc2)C2CCS(=O)(=O)C2)cc1,XESBTDVHCJHOBK-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:4:184096:224967,COC(=O)c1cc(-c2ccc(CN(C(=O)OC(C)(C)C)C3CCC(C)(C)CC3)cc2)cc(C(C)(C)C)c1,XUGWZDPMJFVVKC-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:4:184099:224156,CC(c1ccc(-c2cc3ccccc3n2C(=O)OC(C)(C)C)cc1)N(C(=O)OC(C)(C)C)C1CCC(C)(C)CC1,ZUUCVUODMOTVOP-UHFFFAOYSA-N
-rxn:4:184126:223953,COCCN1CCN(c2cc(F)cc(-c3cc(C(F)(F)F)ccc3OCCCN3C(=O)c4ccccc4C3=O)c2)CC1,HDGHFJSKTYUXNJ-UHFFFAOYSA-N
-rxn:4:184132:225044,COC(=O)c1cc(-c2cc([Si](C)(C)C)cc([Si](C)(C)C)c2)cc2c1ccn2CC(=O)OC(C)(C)C,QMAPQJXDJPMIDI-UHFFFAOYSA-N
-rxn:4:184136:222791,CCOC(=O)c1cc2cc(-c3cc(NC(=O)OC(C)(C)C)ccc3Cl)ccc2n1C(=O)OC(C)(C)C,GASILGJOUYGBEN-UHFFFAOYSA-N
-rxn:4:184136:223536,CCOC(=O)c1cc2cc(-c3cc(F)c(F)c(N4CCN(C(=O)OC(C)(C)C)CC4)c3)ccc2n1C(=O)OC(C)(C)C,DXPAKGUOMHHCEW-UHFFFAOYSA-N
-rxn:4:184136:224864,CCOC(=O)c1cc2cc(-c3ccc(CN(C(C)C)C(C)C)cc3)ccc2n1C(=O)OC(C)(C)C,XPHKFCLRAPSXJR-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:4:184152:223279,CCOC(=O)c1c(C)oc2cc(-c3cnc(C4CCCN4)nc3)c(OC(=O)N3CCOCC3)cc12,CPGOSYFJHVCGIO-UHFFFAOYSA-N
-rxn:4:184181:223975,CC(C)N(Cc1ccc(-c2cn(C(=O)OC(C)(C)C)c3ccc(Cl)nc23)c2ccccc12)C(=O)OC(C)(C)C,PXKHYNNWAWHBAW-UHFFFAOYSA-N
-rxn:4:184182:223279,COc1ccc(CCC(=O)N2C3CCC2CC(SC)C3)cc1-c1cnc(C2CCCN2)nc1,DUHKJZMDVWOWIQ-UHFFFAOYSA-N
-rxn:4:184185:222606,CC(=O)Oc1c(-c2cccc(C(F)(F)F)c2C(=O)NC(C)(C)C)cc(N(C(C)=O)S(=O)(=O)c2ccc(C)cc2)c2ccccc12,XLJPULYMCKHDPI-UHFFFAOYSA-N
-rxn:4:184185:225351,COC(=O)c1c(-c2cc(N(C(C)=O)S(=O)(=O)c3ccc(C)cc3)c3ccccc3c2OC(C)=O)cccc1C(F)(F)F,SXNORMOICAONOH-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:4:184199:226844,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:4:184202:226844,CC(C)(C)OC(=O)N1CCc2c(F)c(-c3ccnc(C(=O)C(F)(F)F)c3)cc(OCc3ccccc3)c2C1=O,SMLIKZFGVMBVDR-UHFFFAOYSA-N
-rxn:4:184215:223279,CC(C)(C)OC(=O)N(Cc1ccc(-c2cnc(C3CCCN3)nc2)c2ccccc12)C1CCOCC1,NFKCOINNXZSYGW-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:4:184217:223179,CONC(=O)c1cc(-c2ccc3oc(C(=O)N(Cc4cccc(OC)c4)C4CCS(=O)(=O)C4)c(C)c3c2)ccc1F,PAEQTMPKUJUCSR-UHFFFAOYSA-N
-rxn:4:184219:227579,CCOc1c(F)cc(-c2cc3cc(O[Si](C)(C)C(C)(C)C)ccc3n2C(=O)OC(C)(C)C)cc1F,UJJCHBXCEQJSQI-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:4:184515:223669,CCOc1cc(C#N)cc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2)c1OC(C)=O,GANSSYKYWPMFGB-UHFFFAOYSA-N
-rxn:4:184615:224258,CCOC(=O)c1nc(OC)c(C(F)(F)F)cc1-c1ccc(C(=O)N2CCCCC2C)cc1Cl,WMNMMHWQYXLOON-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:4:184714:222426,COCCS(=N)(=O)c1cc(-c2ccc3c(c2)C2(CCN(C(=O)OC(C)(C)C)CC2)C(=O)N3)ccc1OC,WWMUVONKMLITDP-UHFFFAOYSA-N
-rxn:4:184724:223645,CCOC(=O)C1CCCN(C(=O)c2cccc(-c3cc(OCC(=O)N(C)C4CC4)ccc3F)c2)C1,NHPBLIIFDLIVNE-UHFFFAOYSA-N
-rxn:4:184739:224775,O=C(COc1ccc(C(F)(F)F)cc1-c1cnc(C(F)(F)F)c(C2CCCC2)c1)N1CCC1,CJBKVIFKDHBFGU-UHFFFAOYSA-N
-rxn:4:184745:225899,Cc1cc(-c2ccc(C(=O)N3CCC3(F)F)c(OCC(F)F)c2)n(C(=O)OC(C)(C)C)n1,BVDVSYCVVAHTLN-UHFFFAOYSA-N
-rxn:4:184762:224719,COC(=O)c1cc(-c2cn(C(=O)OC(C)(C)C)nc2C(C)C)cn1C(=O)OC(C)(C)C,UJOJGHVWMLZWKS-UHFFFAOYSA-N
-rxn:4:184764:224379,COC(=O)c1cc(-c2ccccc2S(=O)(=O)N2CCN(C)CC2)n(C(=O)OC(C)(C)C)c1,IYXBWOQJVKVJOR-UHFFFAOYSA-N
-rxn:4:184888:224407,COC(=O)C1CN(Cc2ccc(-c3cccc(S(=O)(=O)N4CCC(F)(F)C4)c3)c(C(F)(F)F)c2)C1,DTZNAZRXVURLAR-UHFFFAOYSA-N
-rxn:4:184908:224593,COc1ccc(OCC(=O)N2CCCC2)c(-c2ccc(F)c(CN3CCC(C)CC3)c2)c1,PCPMHKQKTADMNH-UHFFFAOYSA-N
-rxn:4:184915:223506,COC(=O)C1CN(Cc2cc(OC)cc(-c3cccc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c3)c2)C1,VNQVEZCFMSTMPE-UHFFFAOYSA-N
-rxn:4:184931:226794,COC(=O)CN1C(=O)C(=Cc2ccc(OC)c(-c3cnc(N4CCSCC4)nc3)c2)SC1=S,WSKANKUNYLXXFT-UHFFFAOYSA-N
-rxn:4:184955:223835,Cc1cc(F)c(-c2ccc(OCCCN3CCOCC3)c(Cl)c2)cc1S(=O)(=O)N1CCC(C)CC1,VJLOHHVHUZMAKH-UHFFFAOYSA-N
-rxn:4:185004:224751,O=C(COc1ccc(C(F)(F)F)cc1-c1ccc(F)c(C(=O)N2CCOCC2)c1)N1CCCCC1,CFXLUKZUKRLBDQ-UHFFFAOYSA-N
-rxn:4:185004:225818,O=C(COc1ccc(C(F)(F)F)cc1-c1ccc(C(F)(F)F)cc1C1CC1)N1CCCCC1,OVQOTMJTDVPZNH-UHFFFAOYSA-N
-rxn:4:185020:224022,CC(C)N(C(=O)Cc1ccccc1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)C(C)C,DYBKNBJBCULBDD-UHFFFAOYSA-N
-rxn:4:185026:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3ccc(SC4CN(C(=O)OC(C)(C)C)C4)cc3)ccn2)CC1,XTEPHBYCHKCZKJ-UHFFFAOYSA-N
-rxn:4:185026:224082,CCC(C(=O)OC(C)(C)C)c1cccc(-c2ccc(SC3CN(C(=O)OC(C)(C)C)C3)cc2)c1,MLNVFUAOJHCZRY-UHFFFAOYSA-N
-rxn:4:185051:225514,FC(F)(F)CN1CCC(COc2ccc(-c3cccc4c3OCC3(CC3)CO4)cc2)CC1,KWWAFDJFJRHXTI-UHFFFAOYSA-N
-rxn:4:185055:223841,Cc1cc(F)c(-c2cccc(F)c2OCCCN2CCCC(F)(F)C2)cc1S(=O)(=O)N1CCN(C)CC1,CRXRMDZAYDNLRV-UHFFFAOYSA-N
-rxn:4:185057:222639,CC(C)N(C(=O)c1ccc(C(F)(F)F)cc1-c1ccc([C@H](C)NC(=O)OC(C)(C)C)cc1)C(C)C,YPWIFJCAMCXVSK-SFHVURJKSA-N
-rxn:4:185062:223845,CN1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2cc(Cl)cc(F)c2OCCN2CCC(C(F)(F)F)CC2)CC1,AGGYETIAPMKLFY-UHFFFAOYSA-N
-rxn:4:185067:223279,FC(F)(F)COc1c(CN2CCC(F)(F)CC2)cccc1-c1cnc(C2CCCN2)nc1,ZRPLLQRYAGGYGB-UHFFFAOYSA-N
-rxn:4:185079:223898,CC(C)N(C(=O)OC(C)(C)C)c1ccc(-c2ccc(N(C(=O)OC(C)(C)C)C(C)C)cc2)cc1,GLYLGYXFHRJGKU-UHFFFAOYSA-N
-rxn:4:185084:224609,Cc1cc(CN(C)C(=O)OC(C)(C)C)cc(-c2cnccc2C(=O)N(C(C)C)C(C)C)c1,VYHCIFAHYPQRJT-UHFFFAOYSA-N
-rxn:4:185088:222395,COc1cc(-c2cccc(C(=O)NC3CCC(O)CC3)c2)ccc1C(=O)N(C(C)C)C(C)C,NGAYYVZBJDPVLT-UHFFFAOYSA-N
-rxn:4:185104:223818,CC(C)CS(=O)(=O)C1CN(C(=O)c2cccc(-c3c(F)cc(F)c4c3ccn4C(=O)OC(C)(C)C)c2)C1,AFWACRQKVQILDB-UHFFFAOYSA-N
-rxn:4:185104:224078,CC(C)CS(=O)(=O)C1CN(C(=O)c2cccc(-c3cccc4c3ccn4[Si](C)(C)C(C)(C)C)c2)C1,RAHDZCNFGGBHLS-UHFFFAOYSA-N
-rxn:4:185104:224129,CC(C)CS(=O)(=O)C1CN(C(=O)c2cccc(-c3cccc(C(=O)N(C)C4CCCCC4)c3)c2)C1,VWGSKSKWQRJPMK-UHFFFAOYSA-N
-rxn:4:185107:224274,CC(C)S(=O)(=O)c1ncc(-c2cc3cnccc3n2C(=O)OC(C)(C)C)cc1C(=O)OC(C)(C)C,YWRRFBOYJHZSFY-UHFFFAOYSA-N
-rxn:4:185111:223810,COC(=O)C1CCN(C(=O)Cc2ccc(F)cc2-c2cc(C)c(S(=O)(=O)N3CCC(C)CC3)c(C)c2)CC1,ZVIPSUQBRVBZIO-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:4:185114:223279,O=C(CS(=O)(=O)c1ccc(-c2cnc(C3CCCN3)nc2)cc1)N1CCC(C(F)(F)F)CC1,ZSFDLWQUXQCCNR-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:4:185135:222799,COC(=O)C1CCN(CCc2cc(-c3ccc(S(=O)(=O)NC(C)(C)C)c(C)c3)ccc2Cl)CC1,JGMHRQDOMFRQTF-UHFFFAOYSA-N
-rxn:4:185135:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3ccc(Cl)c(CCN4CCC(C(=O)OC)CC4)c3)c2)CC1,XYMJSTUUXDNCKU-UHFFFAOYSA-N
-rxn:4:185138:224247,COC(=O)C1CCN(CCc2cc(-c3ccc(C(=O)N4CCC(C)CC4)cc3F)ccc2F)CC1,QGMRDGPUAUWOSB-UHFFFAOYSA-N
-rxn:4:185144:222826,CCOC(=O)C1CCN(S(=O)(=O)c2ccc(-c3cccc(S(=O)(=O)N4CCNCC4)c3)cc2)CC1,IYZOPWIWQWIVQX-UHFFFAOYSA-N
-rxn:4:185145:222573,CCOC(=O)C1CCCN(S(=O)(=O)c2ccc(-c3cc(F)cc(C(=O)NCC4CCCCC4)c3)cc2)C1,CGGDLRFJFCYHIA-UHFFFAOYSA-N
-rxn:4:185145:225320,CCOC(=O)C1CCCN(S(=O)(=O)c2ccc(-c3ccc(N4CCOCC4)c(F)c3F)cc2)C1,LBRKFALHWCJZMX-UHFFFAOYSA-N
-rxn:4:185146:223179,CONC(=O)c1cc(-c2c(C(=O)N3CCOCC3)cc(OC)c(OC)c2OC)ccc1F,TVORNGLBEFGXAS-UHFFFAOYSA-N
-rxn:4:185147:225942,CC(C)CS(=O)(=O)C1CN(S(=O)(=O)c2ccccc2-c2cnc(C(C)C)c(C(F)(F)F)c2)C1,DTOIXXGWPPEPAD-UHFFFAOYSA-N
-rxn:4:185149:226253,CCCOc1cc(OC)cc(-c2cccc(S(=O)(=O)C3CN(C(=O)OC(C)(C)C)C3)c2)c1,ZMYBEALQVVNLMB-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:4:185155:223279,COC(=O)c1ccc(-c2cnc(C3CCCN3)nc2)cc1CN1CCC(C(F)(F)F)CC1,ZNNCGTKUYJUBGL-UHFFFAOYSA-N
-rxn:4:185155:223901,COC(=O)c1ccc(-c2ccc(OCCN3CCC(C)CC3)c(Cl)c2)cc1CN1CCC(C(F)(F)F)CC1,UNXNIQFKNJRRCC-UHFFFAOYSA-N
-rxn:4:185158:223279,COC(=O)c1cc(CN2CCC(C(F)(F)F)CC2)cc(-c2cnc(C3CCCN3)nc2)c1,BBHNCPBHGOYCTB-UHFFFAOYSA-N
-rxn:4:185159:223179,CONC(=O)c1cc(-c2cc(CN3CCCC(C(F)(F)F)C3)cc(C(=O)OC)c2)ccc1F,RPSIRRVQJFRNFC-UHFFFAOYSA-N
-rxn:4:185159:223279,COC(=O)c1cc(CN2CCCC(C(F)(F)F)C2)cc(-c2cnc(C3CCCN3)nc2)c1,STQVCQJNIZSYKZ-UHFFFAOYSA-N
-rxn:4:185160:223065,COC(=O)c1ccc(-c2ccc(N3CCNCC3)cc2F)c(CN2CCCC(C(F)(F)F)C2)c1,RHKFGENVDYXMAU-UHFFFAOYSA-N
-rxn:4:185160:223279,COC(=O)c1ccc(-c2cnc(C3CCCN3)nc2)c(CN2CCCC(C(F)(F)F)C2)c1,ZGVLRCGPIGIOCS-UHFFFAOYSA-N
-rxn:4:185160:226512,COC(=O)c1ccc(-c2ccncc2OCC2CCO2)c(CN2CCCC(C(F)(F)F)C2)c1,QASAXVPGGNIGDB-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:4:185165:223279,CC(C)(C)OC(=O)N1CC(c2cc(-c3cnc(C4CCCN4)nc3)ccc2C(F)(F)F)C1,HUIWCZPCBJBNJA-UHFFFAOYSA-N
-rxn:4:185165:225665,CC(C)(C)OC(=O)N1CC(c2cc(-c3ccc(Cl)cc3N3CCCCC3)ccc2C(F)(F)F)C1,XSAIORQPBSNQBC-UHFFFAOYSA-N
-rxn:4:185167:223568,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(Cl)c(-c3ccc(CN(C(=O)c4ccccc4)C4CCS(=O)(=O)C4)o3)cnc21,ZHSGBMFXCXSUBP-UHFFFAOYSA-N
-rxn:4:185168:223569,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(F)c(-c3cccc(CN(C(=O)c4ccco4)C4CCS(=O)(=O)C4)c3)cnc21,UMVFOXBAHRTANP-UHFFFAOYSA-N
-rxn:4:185178:224880,O=C(c1cc(-c2ccccc2CN2CCCCCC2)ccc1Cl)N1CCC(S(=O)(=O)Cc2ccco2)C1,OHMXURHKJWHXFK-UHFFFAOYSA-N
-rxn:4:185180:225001,O=C(c1ccccc1F)N(Cc1ccc(-c2ccc(CN3CCCC(F)C3)cc2)o1)C1CCS(=O)(=O)C1,DLDQECOVGZQWCG-UHFFFAOYSA-N
-rxn:4:185189:223810,Cc1cc(-c2ccc(OCCCN3CCC(C)CC3)c(Cl)c2)cc(C)c1S(=O)(=O)N1CCC(C)CC1,GTZRXEXKKNHUPK-UHFFFAOYSA-N
-rxn:4:185192:224375,CC1CCCN(CCCOc2c(F)cccc2-c2ccc(C(=O)ON3C(=O)CCC3=O)cc2)C1,PTZQHZTVGYZKCK-UHFFFAOYSA-N
-rxn:4:185202:223671,COc1cc(-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)ccc1C1CN(C(=O)OC(C)(C)C)C1,VPHSCYZLPZSDBY-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:4:185243:223179,CONC(=O)c1cc(-c2ccc(C(=O)N(CC(C)C)C3CCS(=O)(=O)C3)cc2)ccc1F,LNRQNPXEHVOLEL-UHFFFAOYSA-N
-rxn:4:185244:222518,CC(C)CN(C(=O)c1cccc(-c2ccc(F)c3sc(NC(=O)OC(C)(C)C)nc23)c1)C1CCS(=O)(=O)C1,ICDWNWKGECAPMN-UHFFFAOYSA-N
-rxn:4:185244:222725,CCNS(=O)(=O)c1ccc(-c2cccc(C(=O)N(CC(C)C)C3CCS(=O)(=O)C3)c2)c(C(F)(F)F)c1,JQUHQPUCTRECDY-UHFFFAOYSA-N
-rxn:4:185247:223279,COc1cc(-c2cnc(C3CCCN3)nc2)cc(OC)c1CN1CCC(C(F)(F)F)CC1,HDGINXPNIMSTBO-UHFFFAOYSA-N
-rxn:4:185259:222707,CC(C)c1ccc(OCC(=O)N2CCCCC2)c(-c2ccnc(CNC(=O)OC(C)(C)C)c2F)c1,JHEOFICURRJUHS-UHFFFAOYSA-N
-rxn:4:185259:225641,CC1CCCN(c2cc(-c3cc(C(C)C)ccc3OCC(=O)N3CCCCC3)ccn2)C1,KFTFCXABJRUQCK-UHFFFAOYSA-N
-rxn:4:185263:223179,CONC(=O)c1cc(-c2c(F)cc(N3CCC(C(OC)OC)CC3)cc2OC)ccc1F,SIUDYCPTUBHKSH-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:4:185265:223179,CONC(=O)c1cc(-c2cccc(C3CN(CC(=O)OC(C)(C)C)C(=O)CO3)c2)ccc1F,UPMCIOXRNSYREI-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:4:185270:223179,CONC(=O)c1cc(-c2ccc(C3CCN(C(=O)OC(C)(C)C)C3)c(C(F)(F)F)c2)ccc1F,JFIQKYONNMTELQ-UHFFFAOYSA-N
-rxn:4:185271:223179,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:4:185302:223891,CCN(C1CCCCC1)S(=O)(=O)c1cc(-c2c(F)ccc3c2ccn3[Si](C)(C)C(C)(C)C)ccc1OC,POXSXJILDPRXEF-UHFFFAOYSA-N
-rxn:4:185305:223179,CCOc1cc(S(=O)(=O)N2CCCCC2CC)ccc1-c1ccc(F)c(C(=O)NOC)c1,DSIAGCWFTDWRPP-UHFFFAOYSA-N
-rxn:4:185306:223003,CCOc1cc(S(=O)(=O)N(C)C2CCCCC2)ccc1-c1ccc(Cl)c(C2CCNCC2)c1,SRLSNHXOMDJTDJ-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:4:185315:223685,CC(C)(C)OC(=O)N1CC(c2cc(-c3ccc(OC(F)(F)F)c(OCc4cccnc4)c3)ccc2C2CC2)C1,NWPHHWUWEFAGGK-UHFFFAOYSA-N
-rxn:4:185316:223179,CONC(=O)c1cc(-c2ccc(C3CN(C(=O)OC(C)(C)C)C3)cc2C2CC2)ccc1F,IPWFZFIHXJGQJV-UHFFFAOYSA-N
-rxn:4:185316:223679,CCN1CCN(S(=O)(=O)c2c(C)cc(-c3ccc(C4CN(C(=O)OC(C)(C)C)C4)cc3C3CC3)cc2C)CC1,XIHJIBNXWUFRLA-UHFFFAOYSA-N
-rxn:4:185317:225829,CC1CCN(c2ncc(-c3cc(C4CN(C(=O)OC(C)(C)C)C4)ccc3C3CC3)cn2)CC1,CRJAOHPREKGHLV-UHFFFAOYSA-N
-rxn:4:185319:223179,CONC(=O)c1cc(-c2ccc(C3CN(C(=O)OC(C)(C)C)C3)c(C3CC3)c2)ccc1F,BEFFRPYUZYPBAT-UHFFFAOYSA-N
-rxn:4:185321:224160,CC(C)(C)OC(=O)N1CCC(Oc2ccc(Cl)c(-c3ccc4c(c3)CCN4C(=O)OC(C)(C)C)c2)CC1,OZPILNDYKWGIPP-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:4:185323:223279,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3cnc(C4CCCN4)nc3)cc2F)CC1,NWRZWRPRPFVORX-UHFFFAOYSA-N
-rxn:4:185323:225738,CCCCOc1cc(F)c(-c2ccc(OC3CCN(C(=O)OC(C)(C)C)CC3)c(F)c2)cc1F,LSPIMXZXGSEXST-UHFFFAOYSA-N
-rxn:4:185347:223179,CCC1CCCCN1S(=O)(=O)c1cc(OC)c(-c2ccc(F)c(C(=O)NOC)c2)cc1OC,WVNDURHFFCGJMN-UHFFFAOYSA-N
-rxn:4:185347:223279,CCC1CCCCN1S(=O)(=O)c1cc(OC)c(-c2cnc(C3CCCN3)nc2)cc1OC,ZQVSCFQWZVZNMO-UHFFFAOYSA-N
-rxn:4:185348:223529,CCCOc1cc(S(=O)(=O)N2CC(C)OC(C)C2)ccc1-c1ccc(CN2CCN(C(=O)OC(C)(C)C)CC2)c(F)c1,YSEKTTYTLKJHOQ-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:4:185349:223179,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:4:185350:223179,CONC(=O)c1cc(-c2cccc(C(=O)N3CCC(S(=O)(=O)CC(C)C)CC3)c2)ccc1F,LWAYZAISFJJJLZ-UHFFFAOYSA-N
-rxn:4:185350:223279,CC(C)CS(=O)(=O)C1CCN(C(=O)c2cccc(-c3cnc(C4CCCN4)nc3)c2)CC1,CLJONXOSILVESF-UHFFFAOYSA-N
-rxn:4:185350:224845,CC(C)CS(=O)(=O)C1CCN(C(=O)c2cccc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)c2)CC1,WNMLJIQEEKJXDL-UHFFFAOYSA-N
-rxn:4:185351:222855,COc1cc(-c2ccccc2C(=O)N2CCC(S(=O)(=O)CC(C)C)CC2)cc(C2CCCNC2)c1,BSUGJAIPKHPSDG-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:4:185351:224596,COc1cc(N2CCCCC2C)ccc1-c1ccccc1C(=O)N1CCC(S(=O)(=O)CC(C)C)CC1,NOKPACZDTGLDIK-UHFFFAOYSA-N
-rxn:4:185352:225655,CC1CCN(c2cncc(-c3ccc(C(=O)C4CCN(C(=O)OC(C)(C)C)CC4)cc3)c2)CC1,MSXHPPFWHMHAMS-UHFFFAOYSA-N
-rxn:4:185353:225939,CC(C)c1cc(-c2ccc(CC(=O)N3CCC(S(=O)(=O)C(C)(C)C)C3)cc2)cnc1C(F)(F)F,LXIDVUGJRNARNS-UHFFFAOYSA-N
-rxn:4:185353:227079,CC(C)Cc1ccc(F)c(-c2ccc(CC(=O)N3CCC(S(=O)(=O)C(C)(C)C)C3)cc2)c1,JEAAWKLQKPPAIL-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:4:185355:223777,CC(C)(C)OC(=O)N1CCC(C(=O)c2cccc(-c3ccc4c(c3F)CCN(C(=O)OC(C)(C)C)C4)c2)CC1,BWPMADCGJJYRHP-UHFFFAOYSA-N
-rxn:4:185355:223886,CC(C)(C)OC(=O)N1CCC(C(=O)c2cccc(-c3cccc4c3CCN(C(=O)OC(C)(C)C)C4)c2)CC1,LZJFHZTVEMYMPS-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:4:185357:223797,CC(C)(C)OC(=O)N1CCC(C(=O)c2ccc(-c3ccccc3COc3cccc(C(F)(F)F)c3)cc2F)CC1,KWKMACWWPLEUEO-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:4:185358:223279,CC(C)(C)OC(=O)N1CCC(C(=O)c2cccc(-c3cnc(C4CCCN4)nc3)c2F)CC1,CZCJWWYSUWFEEV-UHFFFAOYSA-N
-rxn:4:185369:223179,CONC(=O)c1cc(-c2cccc(C(=O)N3CCCCC3CSC(C)(C)C)c2)ccc1F,IHHOFTDCKMFYJL-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:4:185375:222538,CC(C)CS(=O)(=O)C1CCN(S(=O)(=O)c2ccccc2-c2cc(C3CCCC3)nc(C3CCNCC3)c2)CC1,XMUJRLFUSZWAOR-UHFFFAOYSA-N
-rxn:4:185375:223279,CC(C)CS(=O)(=O)C1CCN(S(=O)(=O)c2ccccc2-c2cnc(C3CCCN3)nc2)CC1,VHBUMTNMMQHYOW-UHFFFAOYSA-N
-rxn:4:185379:224552,CC(C)(C)OC(=O)N1CCC(C(F)(F)c2cccc(-c3cc(F)cc(COC4CCCCC4)c3)c2)CC1,HDGFLYPVDYDHTR-UHFFFAOYSA-N
-rxn:4:185379:226327,CC(C)(C)OC(=O)N1CCC(C(F)(F)c2cccc(-c3ccc(C4(C#N)CC4)cc3Cl)c2)CC1,JDDCBMJXPIDZCI-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:4:185380:223279,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3cnc(C4CCCN4)nc3)cc2)(C(F)(F)F)CC1,JIIMEWYJIWNAGC-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:4:185381:223891,CC(C)(C)OC(=O)N1CCCC(c2cc(-c3c(F)ccc4c3ccn4[Si](C)(C)C(C)(C)C)cc(C(F)(F)F)c2)C1,VEVOZYNLXRTLPE-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:4:185383:223279,CC(C)(C)OC(=O)N1CCC(c2cc(-c3cnc(C4CCCN4)nc3)cc(C(F)(F)F)c2)CC1,NQMVXALSDVDJQY-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:4:185384:224680,CC(C)(C)OC(=O)N1CCCC(c2cc(C(F)(F)F)ccc2-c2cc(C(=O)N3CCCCC3)ccc2F)C1,ZZDVJZYXIPGTGD-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:4:185401:223179,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:4:185402:223179,CCCOc1ccc(-c2ccc(F)c(C(=O)NOC)c2)cc1S(=O)(=O)N1CC(C)CC(C)C1,UHNMCKMDNCVENB-UHFFFAOYSA-N
-rxn:4:185402:223279,CCCOc1ccc(-c2cnc(C3CCCN3)nc2)cc1S(=O)(=O)N1CC(C)CC(C)C1,LAINQNNZGNGTTM-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:4:185404:223179,CONC(=O)c1cc(-c2ccc(C3CC3)cc2C2CCN(C(=O)OC(C)(C)C)C2)ccc1F,SXVGDEYGAOMTPW-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:4:185406:223279,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:4:185407:227543,COC(=O)c1cc(-c2cc(C3CCN(C(=O)OC(C)(C)C)CC3)ccc2OC)ccc1F,FQCLROIFYFNIFX-UHFFFAOYSA-N
-rxn:4:185410:226015,COc1ccc(-c2ccc(C3CCN(C(=O)OC(C)(C)C)C3)cc2C2CC2)c(OC(F)(F)F)c1,WROHLYSRSNXRBS-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:4:185411:226844,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2C2CC2)C1,DGMAHRUBXHVKGU-UHFFFAOYSA-N
-rxn:4:185412:224290,CC(C)(C)OC(=O)N1CCC(c2ccc(C3CC3)c(-c3ccc(Cl)cc3OCCN3CCOCC3)c2)C1,TVGNOJNYVQTVPA-UHFFFAOYSA-N
-rxn:4:185413:227769,COc1ccc(C2CCCN(C(=O)OC(C)(C)C)C2)cc1-c1cc([N+](=O)[O-])cnc1OC,HNDLHRZYGVZCND-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:4:185415:227385,Cc1nc(C(C)(C)C)ncc1-c1ccc(N(C(=O)CC2CCCCC2)C2C=CS(=O)(=O)C2)cc1,HFENOKAPAYFQRC-UHFFFAOYSA-N
-rxn:4:185419:223279,CC(C)(C)OC(=O)N1CCOC(c2ccc(C3CC3)c(-c3cnc(C4CCCN4)nc3)c2)C1,IZQSQDIBPSVWFB-UHFFFAOYSA-N
-rxn:4:185420:223179,CONC(=O)c1cc(-c2ccc(C3CC3)cc2C2CN(C(=O)OC(C)(C)C)CCO2)ccc1F,AXPKOULTXMOXHL-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:4:185421:223279,CC(C)(C)OC(=O)N1CCOC(c2ccc(-c3cnc(C4CCCN4)nc3)c(C3CC3)c2)C1,UVHUMMOLPIBRMR-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:4:185422:223279,CC(C)(C)OC(=O)N1CCOC(c2ccc(-c3cnc(C4CCCN4)nc3)cc2C2CC2)C1,YBTKWHYHRXAEGY-UHFFFAOYSA-N
-rxn:4:185423:223279,CC(C)(C)OC(=O)N1CCOC(c2cc(-c3cnc(C4CCCN4)nc3)cc(C3CC3)c2)C1,YVFAMLFMEXAUCU-UHFFFAOYSA-N
-rxn:4:185423:224278,CC(C)(C)OC(=O)N1CCOC(c2cc(-c3cnc4c(ccn4C(=O)OC(C)(C)C)c3)cc(C3CC3)c2)C1,AAPFQOPOUVVULV-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:4:185424:223279,CC(C)(C)OC(=O)N1CCOC(c2ccc(C3CC3)cc2-c2cnc(C3CCCN3)nc2)C1,FGVJFWMAUPSSFM-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:4:185425:223689,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(OC)c(S(=O)(=O)N4CCC(Cc5ccccc5)CC4)c3)ccc2OC)CC1,XBNBUNAJTDTZPY-UHFFFAOYSA-N
-rxn:4:185428:223179,CONC(=O)c1cc(-c2cc(C(C)(C)C)ccc2OCC(=O)N2CCC(C)CC2)ccc1F,TVVVWMDSIORCBY-UHFFFAOYSA-N
-rxn:4:185428:224371,COC(=O)C1CCN(c2ncc(-c3cc(C(C)(C)C)ccc3OCC(=O)N3CCC(C)CC3)cn2)CC1,GAJYNMZEGJPOPG-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:4:185431:222980,COc1ccc(-c2ccc(CN3CCNCC3)cc2)cc1C1SCCN1S(=O)(=O)c1ccc(C(C)C)cc1,XXXOXYGLOQSLLU-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:4:185433:226844,CC(C)(C)OC(=O)N1CCC(c2cc(-c3ccnc(C(=O)C(F)(F)F)c3)cc(C3CC3)c2)CC1,XQXBMPQKPUKDQX-UHFFFAOYSA-N
-rxn:4:185437:226844,CC(C)(C)[Si](C)(C)OC1CCN(Cc2cc(F)ccc2-c2ccnc(C(=O)C(F)(F)F)c2)CC1,OUYRGIJKLVJHEO-UHFFFAOYSA-N
-rxn:4:185438:226371,Cc1cc(N2CCCC2)ncc1-c1ccc(S(=O)(=O)N2CCC(O[Si](C)(C)C(C)(C)C)CC2)cc1,NBRPQJTUFINFSE-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:4:185469:224716,CN(C(=O)OC(C)(C)C)c1ccc(-c2cc3ccn(C(=O)OC(C)(C)C)c3cc2OC(F)(F)F)cn1,JCEUFLBTZZJZJU-UHFFFAOYSA-N
-rxn:4:185494:224719,COC(=O)c1ccc2c(c1)c(-c1cn(C(=O)OC(C)(C)C)nc1C(C)C)cn2C(=O)OC(C)(C)C,RCMXCZAJWAXKDZ-UHFFFAOYSA-N
-rxn:4:185509:222904,COC(=O)c1cc2c(cc1-c1ccc(NC(=O)OC(C)(C)C)nc1)CCN2C(=O)OC(C)(C)C,GMMOMCXNNCYOQD-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:4:185522:223179,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:4:185543:223179,CONC(=O)c1cc(-c2ccc3c(c2)CCOC3CN(C)C(=O)OC(C)(C)C)ccc1F,WWLMHNBSJGPBRT-UHFFFAOYSA-N
-rxn:4:185545:223669,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc4cc(OC5CN(C(=O)OC(C)(C)C)C5)ccc4c3)cn2)CC1,WVVNWQIWTALXDU-UHFFFAOYSA-N
-rxn:4:185547:225462,CCOC(=O)C1CCN(C(=O)c2cc3cc(-c4cccc(N5CCC(C)CC5)c4)ccc3oc2=O)CC1,JHIFITLAEXPPRA-UHFFFAOYSA-N
-rxn:4:185571:223179,CONC(=O)c1cc(-c2ccc(CN(C(=O)C3COc4ccccc4O3)C3CCS(=O)(=O)C3)o2)ccc1F,PVXQCGODJCGMFQ-UHFFFAOYSA-N
-rxn:4:185571:223279,O=C(C1COc2ccccc2O1)N(Cc1ccc(-c2cnc(C3CCCN3)nc2)o1)C1CCS(=O)(=O)C1,NNOYVABCIJNTJZ-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:4:185613:223279,COc1ccc(CCC(=O)N2CCC3(CC2)OC(=O)c2ccccc23)cc1-c1cnc(C2CCCN2)nc1,KPDHCINLRFZMTH-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:4:185614:223179,CONC(=O)c1cc(-c2cc(CCC(=O)N3CCCC4(C3)OC(=O)c3ccccc34)ccc2OC)ccc1F,NZXRKVYSLADHTF-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:4:185627:226844,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:4:185628:226844,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:4:185647:223179,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:4:185787:223575,CCOC(=O)C(=O)c1ncccc1-c1ccccc1CN1CCN(C(=O)OC(C)(C)C)CC1,BATUZHIMFLDYPD-UHFFFAOYSA-N
-rxn:4:186448:223559,CCN(CC)C(=O)c1ccc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)c(Cl)c1,CXWDVABLQRWGMA-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:4:186542:226844,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccnc(C(=O)C(F)(F)F)c2)ccc1C(F)(F)F,RDRGGWDLJBFFNG-UHFFFAOYSA-N
-rxn:4:186543:223179,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:4:186545:223279,O=C(ON1C(=O)CCC1=O)c1cc(-c2cnc(C3CCCN3)nc2)c(C(F)(F)F)cc1F,LISHNHLNZGCDGH-UHFFFAOYSA-N
-rxn:4:186608:223579,CCN(CC)S(=O)(=O)c1ccc(F)c(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3C)cc2)c1,QDLKCSOLQVFHFK-UHFFFAOYSA-N
-rxn:4:186641:223481,CCOc1cccc(Oc2ccc(-c3ccc(S(=O)(=O)N4CCC(O[Si](C)(C)C(C)(C)C)CC4)cc3F)cn2)c1,WDJUOZVQTRBTEO-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:4:186751:226844,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:4:186870:223994,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1ccc(Cl)cc1OCCN1CCOCC1,NLBWWFCQDZYYAT-UHFFFAOYSA-N
-rxn:4:186878:224718,O=[N+]([O-])c1cccc(OCC2CCOCC2)c1-c1ccc(OCCN2CCOCC2)nc1,YAVXYUVZEALQPD-UHFFFAOYSA-N
-rxn:4:186962:224082,CCC(C(=O)OC(C)(C)C)c1cccc(-c2cc(OC)ccc2/C=N/S(=O)C(C)(C)C)c1,XUWUBKIBQQNFEQ-WPWMEQJKSA-N
-rxn:4:187012:225191,O=C(c1ccc(-c2cnc(OC3CCCCC3)cc2F)c(OC(F)(F)F)c1)N1CCCCC1,IWGWELIEICFKCE-UHFFFAOYSA-N
-rxn:4:187048:223583,CCN(C(=O)c1cc(-c2cn(C(=O)OC(C)(C)C)c3cc(C(=O)OC)ccc23)ccc1C)C(C)C,UIKRZBLBRYBEPQ-UHFFFAOYSA-N
-rxn:4:187064:223699,CCOc1cc(S(=O)(=O)N2CCCC2)ccc1-c1ccc(S(=O)(=O)N2CCOCC2)cc1C(F)(F)F,NEDZMAQJEXNURO-UHFFFAOYSA-N
-rxn:4:187091:225908,CCOc1ccc(C(F)(F)F)cc1-c1ccc(C(=O)C2CCN(C(=O)C(F)(F)F)CC2)cc1,CACOZTQHAFDXQO-UHFFFAOYSA-N
-rxn:4:187102:223596,Cc1ccc(N(C)C(=O)OC(C)(C)C)cc1-c1ccc(Cl)cc1N1CCN(C(=O)OC(C)(C)C)CC1,BJSBIKIOTNJKDL-UHFFFAOYSA-N
-rxn:4:187139:223534,Cc1ccccc1CC(=O)N(C)c1ccccc1-c1cc(OC2CCN(C(=O)OC(C)(C)C)CC2)ncc1F,IXEIGRAHSCZQQQ-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:4:187153:222389,O=C(CS(=O)(=O)c1ccc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)cc1)N1CCCC(F)(F)C1,AGCWSFHPVMFYNQ-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:4:187205:223529,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc(Cl)cc3C3CN(C(=O)OC(C)(C)C)C3)cc2F)CC1,UOOWTHZWOHESKE-UHFFFAOYSA-N
-rxn:4:187226:222725,CCNS(=O)(=O)c1ccc(-c2ccc(N(C(=O)C(C)C)C3C=CS(=O)(=O)C3)cc2)c(C(F)(F)F)c1,NNVTVCPBLZNKQK-UHFFFAOYSA-N
-rxn:4:187265:223179,CONC(=O)c1cc(-c2cccc(C(F)(F)F)c2C(=O)N2CCC(OC)CC2)ccc1F,CWSSDNPWILIJEY-UHFFFAOYSA-N
-rxn:4:187265:226844,COC1CCN(C(=O)c2c(-c3ccnc(C(=O)C(F)(F)F)c3)cccc2C(F)(F)F)CC1,OWNLGCGPTFLYME-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:4:187267:223179,CONC(=O)c1cc(-c2cc(C(=O)N3CCC(C(F)(F)F)CC3)cc(Cl)c2OC)ccc1F,GLNPETJGEFOBTA-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:4:187303:223998,COC1CCN(CCc2cc(F)ccc2-c2ccc(S(=O)(=O)N3CCC(C)CC3)c(F)c2)CC1,ZAAPPBPVHHSXEW-UHFFFAOYSA-N
-rxn:4:187311:224285,CC1CCCN(CCOc2c(F)cc(Cl)cc2-c2ccc(OCCN3CCOCC3)cc2F)C1,UCWHVOAEHYUDRA-UHFFFAOYSA-N
-rxn:4:187318:223832,COC(=O)c1ccc(-c2cc(S(=O)(=O)N3CCC(C)CC3)ccc2OC)c(CN2CCOC(C)C2)c1,ATFVGBCIZOYHHE-UHFFFAOYSA-N
-rxn:4:187318:224244,COC(=O)c1ccc(-c2ccc(Cl)c(C(=O)N3CCC(C)CC3)c2)c(CN2CCOC(C)C2)c1,YZEOIVHZRVZKNU-UHFFFAOYSA-N
-rxn:4:187318:224593,COC(=O)c1ccc(-c2ccc(F)c(CN3CCC(C)CC3)c2)c(CN2CCOC(C)C2)c1,PIDLTSRIMYZYRI-UHFFFAOYSA-N
-rxn:4:187375:223009,CC1CCCN(C(=O)CS(=O)(=O)c2cccc(-c3cc(Cl)cc(C4CCNCC4)c3)c2)C1,SBDISJRCQZSCRI-UHFFFAOYSA-N
-rxn:4:187376:223003,CC1CCCN(C(=O)CS(=O)(=O)c2ccc(-c3ccc(Cl)c(C4CCNCC4)c3)cc2)C1,YDOINEDLEJQXSY-UHFFFAOYSA-N
-rxn:4:187376:223007,CC1CCCN(C(=O)CS(=O)(=O)c2ccc(-c3cc(F)cc(C4CCNCC4)c3)cc2)C1,JLFBPOIJENFFMK-UHFFFAOYSA-N
-rxn:4:187376:223009,CC1CCCN(C(=O)CS(=O)(=O)c2ccc(-c3cc(Cl)cc(C4CCNCC4)c3)cc2)C1,GLRSAXYEZNUKQC-UHFFFAOYSA-N
-rxn:4:187378:223003,CC1CCCN(C(=O)CS(=O)(=O)c2ccccc2-c2ccc(Cl)c(C3CCNCC3)c2)C1,HRVSRTZQDMWMIF-UHFFFAOYSA-N
-rxn:4:187378:223006,CC1CCCN(C(=O)CS(=O)(=O)c2ccccc2-c2ccc(F)c(C3CCNCC3)c2)C1,QFKRCBRXQUKTKK-UHFFFAOYSA-N
-rxn:4:187380:223007,CC1CCCCN1C(=O)CS(=O)(=O)c1ccccc1-c1cc(F)cc(C2CCNCC2)c1,YCQLETMERGOIQK-UHFFFAOYSA-N
-rxn:4:187380:223009,CC1CCCCN1C(=O)CS(=O)(=O)c1ccccc1-c1cc(Cl)cc(C2CCNCC2)c1,DGSPRMDBUBLVPC-UHFFFAOYSA-N
-rxn:4:187381:223007,CC1CCCCN1C(=O)CS(=O)(=O)c1cccc(-c2cc(F)cc(C3CCNCC3)c2)c1,KIIJSGFFGONBPS-UHFFFAOYSA-N
-rxn:4:187381:223009,CC1CCCCN1C(=O)CS(=O)(=O)c1cccc(-c2cc(Cl)cc(C3CCNCC3)c2)c1,NIDBAKVCDCLRIO-UHFFFAOYSA-N
-rxn:4:187408:224916,Cc1cc(N2CCCC(C)C2)ccc1-c1ccc(S(=O)(=O)CC(C)N2CCCCC2)cc1,GFDPWOSSZVVHJA-UHFFFAOYSA-N
-rxn:4:187419:224752,Cc1cc(S(=O)(=O)N2CCCC2)ccc1-c1ccc(C2CN(C(=O)OC(C)(C)C)C2)c(C)c1,YNJVGLNTSWQWFD-UHFFFAOYSA-N
-rxn:4:187421:223592,Cc1ccc(C2CN(C(=O)OC(C)(C)C)C2)cc1-c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cc1Cl,XWKOAPZHOWLVDF-UHFFFAOYSA-N
-rxn:4:187422:223930,COC(=O)c1cc(-c2cc3cnn(C(=O)OC(C)(C)C)c3cc2C)cc(N(C)C2CCCC2)c1C,LPRDQVQTENMMCM-UHFFFAOYSA-N
-rxn:4:187429:223999,COC(=O)c1cc(CN2CCC(C)CC2)cc(-c2cc(S(=O)(=O)N3CCC(C)CC3)ccc2F)c1,DHEXDQOZMPWUKJ-UHFFFAOYSA-N
-rxn:4:187437:225093,CCCOc1c(Cl)cc(-c2cc(C)ccc2C2CN(C(=O)OC(C)(C)C)C2)cc1OCC,XSKQKDTYSCKBRO-UHFFFAOYSA-N
-rxn:4:187438:222824,Cc1cc(-c2cc(S(=O)(=O)NC(C)C)c(C)cc2F)cc(C2CN(C(=O)OC(C)(C)C)C2)c1,LISZIQONYGCEPY-UHFFFAOYSA-N
-rxn:4:187442:223898,Cc1ccc(-c2ccc(N(C(=O)OC(C)(C)C)C(C)C)cc2)cc1C1CN(C(=O)OC(C)(C)C)C1,KMWXIQCQYIEADQ-UHFFFAOYSA-N
-rxn:4:187474:222619,CC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2ccc(CNC(=O)C3CCCCC3)cc2)c1,ZSBIYPOYAZZGPQ-UHFFFAOYSA-N
-rxn:4:187485:223006,CCOc1cc(S(=O)(=O)N2CCCC(C)C2)ccc1-c1ccc(F)c(C2CCNCC2)c1,PSJMFYRTVRQHCU-UHFFFAOYSA-N
-rxn:4:187490:225320,CCOc1cc(S(=O)(=O)N2CCCCCC2)ccc1-c1ccc(N2CCOCC2)c(F)c1F,HOMOPBNJXHXYEO-UHFFFAOYSA-N
-rxn:4:187495:224484,CC(C)N(C(=O)c1ccccc1-c1ccc(C2=CCN(C(=O)OC(C)(C)C)CC2)cc1)C(C)C,AVZDIVOMPGSJPP-UHFFFAOYSA-N
-rxn:4:187501:224396,Cc1cc(-c2cccc(OC(C)C)c2CN2CCCC(F)(F)C2)ccc1S(=O)(=O)N1CCOCC1,RONWYLWATSWNOC-UHFFFAOYSA-N
-rxn:4:187505:222426,CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)Nc1ccc(-c3ccc(C4CN(C(=O)OC(C)(C)C)CCO4)c(Cl)c3)cc12,DDROLJSRQPSCOS-UHFFFAOYSA-N
-rxn:4:187506:226152,COc1cc(C2CC2)cc(-c2ccc(C3CN(C(=O)OC(C)(C)C)CCO3)cc2F)c1C,RFHPAOPFKFXLCE-UHFFFAOYSA-N
-rxn:4:187537:223279,O=S(=O)(c1cc(-c2cnc(C3CCCN3)nc2)ccc1OC(F)(F)F)N1CCC2(CC1)OCCO2,JXEMGVICZYUVFO-UHFFFAOYSA-N
-rxn:4:187555:223179,CONC(=O)c1cc(-c2ccccc2CCC(=O)N2CCC3(CC2)OCCS3)ccc1F,VXHSJSATOQJIJM-UHFFFAOYSA-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:4:187560:223179,CONC(=O)c1cc(-c2ccc(C3CCCN(C(=O)OC(C)(C)C)C3=O)cc2)ccc1F,SKXVEMQXGDFWIR-UHFFFAOYSA-N
-rxn:4:187561:225823,CC(C)c1cc(-c2ccc(Cl)c(C(=O)N3CCC(S(=O)(=O)C(C)(C)C)C3)c2)cc(C(F)(F)F)c1,YWFZARBTXFKZKK-UHFFFAOYSA-N
-rxn:4:187581:225526,CCN(CC)C(=O)c1cccc(-c2coc(C3CCN(C(=O)OC(C)(C)C)CC3C)c2)c1,QHPCCSUGXUPQKL-UHFFFAOYSA-N
-rxn:4:187584:223179,CONC(=O)c1cc(-c2ccc(Cl)cc2C2CCCN(C(=O)OC(C)(C)C)C2)ccc1F,AAEFFGRSDGWQLS-UHFFFAOYSA-N
-rxn:4:187586:224403,CC(C)(C)OC(=O)N1CCCC(c2ccc(-c3cnc(N4CCOCC4)c(C(F)(F)F)c3)cc2Cl)C1,UHLWPRKASKKOOK-UHFFFAOYSA-N
-rxn:4:187587:225053,CC1CCCCN1c1ccc(-c2ccc(C3CCN(C(=O)OC(C)(C)C)CC3)c(Cl)c2)c(F)c1,VCMRSBOUYMRFNT-UHFFFAOYSA-N
-rxn:4:187587:226865,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3ccc(Cl)c(OC(F)(F)F)c3)cc2Cl)CC1,OFSBIAOESWIUFM-UHFFFAOYSA-N
-rxn:4:187590:223179,CONC(=O)c1cc(-c2ccc(C3CCCN(C(=O)OC(C)(C)C)C3)cc2F)ccc1F,UWJGVDIQGITQSE-UHFFFAOYSA-N
-rxn:4:187592:223179,CONC(=O)c1cc(-c2cc(C3CCN(C(=O)OC(C)(C)C)CC3)ccc2F)ccc1F,AWVMBIKTQMIHEX-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:4:187597:223241,O=C(c1cccc(-c2cncc(C3CCNC3)c2)c1)N1CC(S(=O)(=O)C2CCCCC2)C1,RWVZWDCATCKKRZ-UHFFFAOYSA-N
-rxn:4:187597:223279,O=C(c1cccc(-c2cnc(C3CCCN3)nc2)c1)N1CC(S(=O)(=O)C2CCCCC2)C1,RSUOUJQXUGOSNP-UHFFFAOYSA-N
-rxn:4:187597:226335,N#Cc1cc(-c2cccc(C(=O)N3CC(S(=O)(=O)C4CCCCC4)C3)c2)ccc1C1COC1,HTPKOUAWRALFOE-UHFFFAOYSA-N
-rxn:4:187613:224623,COc1ccc(C(=O)OC(C)(C)C)c(-c2cccc(C(=O)N3CCC(S(=O)(=O)c4ccccc4)CC3)c2)c1,VZKPSVMRPQONDU-UHFFFAOYSA-N
-rxn:4:187628:224821,CCOc1cc(S(=O)(=O)N2CC(C)CC(C)C2)ccc1-c1ccc(F)c(S(=O)(=O)N2CCCC2)c1,FLBZCWVXYJZKLW-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:4:187629:223179,CONC(=O)c1cc(-c2cc(S(=O)(=O)N(C)C3CCCCC3)c(OC)cc2C)ccc1F,XGMHSGOIXCAMEJ-UHFFFAOYSA-N
-rxn:4:187634:223064,O=C(C1CCCCC1)N(c1ccc(-c2ccc(C3CCNCC3)nc2F)cc1)C1C=CS(=O)(=O)C1,ZFSVTIRRBDSBFF-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:4:187643:223279,O=C(CCc1ccccc1-c1cnc(C2CCCN2)nc1)N1CCC2(CC1)OCCCO2,QWGORDQHYYPDES-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:4:187648:226059,CC(C)c1ccc(-c2ccc(C3(C)CCCN(C(=O)OC(C)(C)C)C3=O)cc2)c(C(C)C)c1,VLEWDIXAHCKMME-UHFFFAOYSA-N
-rxn:4:187648:226062,CC(C)c1cc(-c2ccc(C3(C)CCCN(C(=O)OC(C)(C)C)C3=O)cc2)cc(C(C)C)c1,MYAJAOQREKYWOZ-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:4:187660:223528,Cc1ccc(-c2ccc(F)c(CN3CCN(C(=O)OC(C)(C)C)CC3)c2)c(C2CCCN(C(=O)OC(C)(C)C)C2)c1,BNKSHKRDDGNGMD-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:4:187663:226844,Cc1cc(-c2ccnc(C(=O)C(F)(F)F)c2)ccc1C1CCCN(C(=O)OC(C)(C)C)C1,NIPAJSGWFPURPL-UHFFFAOYSA-N
-rxn:4:187664:224157,Cc1cc(-c2cn(C(=O)OC(C)(C)C)c3ccccc23)ccc1C1CCN(C(=O)OC(C)(C)C)CC1,UXHCOQIPGILNMA-UHFFFAOYSA-N
-rxn:4:187667:223761,Cc1c(-c2ccc(C3CCCN3C(=O)OC(C)(C)C)cc2)cccc1C1CCCN(C(=O)OC(C)(C)C)C1,UVVYWCKFFCRVRO-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:4:187669:223179,CONC(=O)c1cc(-c2ccc(C3(C)CCCN(C(=O)OC(C)(C)C)C3)cc2)ccc1F,FDCZSBVPIWCCGP-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:4:187671:226844,CC(C)(C)c1cc(CN2CCC(C(F)(F)F)CC2)cc(-c2ccnc(C(=O)C(F)(F)F)c2)c1,QXZFMLXDWJTLJE-UHFFFAOYSA-N
-rxn:4:187672:223279,CC(C)(C)c1cc(CN2CCCC(C(F)(F)F)C2)cc(-c2cnc(C3CCCN3)nc2)c1,VMPVSKZDIZIINJ-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:4:187673:227068,CC(C)Cc1ccc(-c2cc(F)cc(C3CCN(C(=O)OC(C)(C)C)CC3C)c2)c(F)c1,HADOIIUMVTZXJW-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:4:187681:226844,Cc1cc(-c2ccnc(C(=O)C(F)(F)F)c2)cc(C2CCN(C(=O)OC(C)(C)C)CC2C)c1,UOFXGMNWGRLRHT-UHFFFAOYSA-N
-rxn:4:187688:223179,CONC(=O)c1cc(-c2ccc(C(=O)c3ccc(CN4CCC5(CC4)OCCO5)cc3)cc2F)ccc1F,XTNNIEHSIUOOSH-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:4:187690:223179,CONC(=O)c1cc(-c2ccc(C(=O)c3cccc(CN4CCC5(CC4)OCCO5)c3)cc2F)ccc1F,NAXRGEUMKKSNEU-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:4:187692:223179,CONC(=O)c1cc(-c2ccc(C(=O)c3ccccc3CN3CCC4(CC3)OCCO4)cc2F)ccc1F,SAFWNOJYFJWYSY-UHFFFAOYSA-N
-rxn:4:187820:223891,CCOC(=O)CN1C(=O)C(C)(C)c2cc(-c3c(F)ccc4c3ccn4[Si](C)(C)C(C)(C)C)ccc21,VATRVTAMSXHDRI-UHFFFAOYSA-N
-rxn:4:187847:224796,CC(C)(C)COS(=O)(=O)c1cncc(-c2cc3c(cc2C(F)F)N(C(=O)OC(C)(C)C)CC3)c1,JWCPXBQGKTVYSU-UHFFFAOYSA-N
-rxn:4:187847:225102,CCN(CC)C(=O)c1cc(-c2cc3c(cc2C(F)F)N(C(=O)OC(C)(C)C)CC3)ccc1F,LBMAYEIACRKWNX-UHFFFAOYSA-N
-rxn:4:187945:223179,CONC(=O)c1cc(-c2ccc3c(c2)C=C(C(=O)OC)CCCN3CC(C)C)ccc1F,QHFVOYHBAYHKJT-UHFFFAOYSA-N
-rxn:4:187948:223179,CONC(=O)c1cc(-c2ccc(OC)cc2C(=O)N2C3CCC2CC(S(C)(=O)=O)C3)ccc1F,IHYHKZAQTQKHQV-UHFFFAOYSA-N
-rxn:4:187951:223899,COc1cc(C(=O)N(C(C)C)C(C)C)ccc1-c1cc(C(C)C)c(S(=O)(=O)Oc2ccc(Cl)c3cccnc23)cc1C,LFTXKGOFHVEWEM-UHFFFAOYSA-N
-rxn:4:187955:223179,CONC(=O)c1cc(-c2ccccc2C=C2Oc3cc(OC(=O)N4CCOCC4)ccc3C2=O)ccc1F,WCNOEHITCFFWJN-UHFFFAOYSA-N
-rxn:4:187961:224174,CCN(C(=O)OC(C)(C)C)c1ccc(-c2ccc(-n3c(CC(=O)OC)cc4c3CC(C)(C)CC4=O)cc2)cc1,YJSALESIAJAAMW-UHFFFAOYSA-N
-rxn:4:187972:223699,O=C1OC2(CCN(C(=O)CCc3ccccc3-c3ccc(S(=O)(=O)N4CCOCC4)cc3C(F)(F)F)CC2)c2ccccc21,DRGYTHPASYTGMP-UHFFFAOYSA-N
-rxn:4:187990:224566,CCOc1ccc2c(c1)C(C)=CC(C)(C)N2S(=O)(=O)c1ccc(-c2ccc(C3(C(=O)OC)CCCC3)cc2)cc1,QEQHVUTYGDGYDA-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:4:187996:223279,CC(C)(C)OC(=O)N1CCC(C2CC(=O)c3ccc(-c4cnc(C5CCCN5)nc4)cc3O2)CC1,JDORHCOEIOABJW-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:4:188013:223179,CONC(=O)c1cc(-c2ccc(C(=O)Oc3ccc(N4C(=O)C5C6CCC(C6)C5C4=O)cc3)cc2)ccc1F,UZPVCLUEKJNFMJ-UHFFFAOYSA-N
-rxn:4:188026:225859,CC(C)c1ccc(C2c3c(oc4ccc(-c5cnc(N6CCCCC6)c(Cl)c5)cc4c3=O)C(=O)N2CC2CCCO2)cc1,VLTZSIDRFNAYDC-UHFFFAOYSA-N
-rxn:4:188681:223784,CCN1CCN(CCOc2ccc(-c3ccc(OC(F)(F)F)c(S(N)(=O)=O)c3)cc2F)CC1,QXAXHPXKYCOQTO-UHFFFAOYSA-N
-rxn:4:189152:223902,CC1CCN(CCOc2ccc(-c3cc(C(F)(F)F)ccc3C(=O)N(C)C)cc2F)CC1,KIXLCYYZMRKALD-UHFFFAOYSA-N
-rxn:4:189357:222524,COC(=O)c1cc(S(N)(=O)=O)c(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC(O)CC2)cc1C,IEUXGVYBXAFHEQ-UHFFFAOYSA-N
-rxn:4:189437:223606,COc1cc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c(F)c2)ccc1S(=O)(=O)N(C)C,OYHRXEGBULWDFN-UHFFFAOYSA-N
-rxn:4:189500:224614,CN(C(=O)OC(C)(C)C)c1ccc(-c2cc(N3CCCC3=O)ccc2OC(F)(F)F)cc1,VGEGLJABSHRBPC-UHFFFAOYSA-N
-rxn:4:189505:224368,CN(C(=O)OC(C)(C)C)c1cc(-c2ccc(C(F)(F)F)cc2S(=O)(=O)N2CCC2)cnc1Cl,FRJFFLPOCKQQPF-UHFFFAOYSA-N
-rxn:4:189627:222439,O=S(=O)(NC1CCCCC1)c1ccc(-c2ncccc2OCC2CCOCC2)c(C(F)(F)F)c1,XNKPBMLYRLYWKK-UHFFFAOYSA-N
-rxn:4:189840:223754,COC(=O)c1cc(F)c(N2CCCC2)cc1-c1ccc(OCCCN2CCC(C)CC2)c(Cl)c1,YCBKRYQAPOQIKC-UHFFFAOYSA-N
-rxn:4:189999:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3ccc(C(C#N)C4CCCCC4)cc3)c2)CC1,MEPPNSZKFHKHIV-UHFFFAOYSA-N
-rxn:4:190015:223699,COc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1ccc(S(=O)(=O)N2CCOCC2)cc1C(F)(F)F,DCRXBAWWLBNOAP-UHFFFAOYSA-N
-rxn:4:190020:224756,CN(C(=O)c1ccc(-c2cc(F)ccc2C(=O)N2CCOCC2)cc1)C1CCS(=O)(=O)C1,VBZHGNYABODAGX-UHFFFAOYSA-N
-rxn:4:190048:222747,O=C(NCC1CCCO1)c1ccc(-c2ccc(C(F)(F)F)cc2C(=O)N2CCCCC2)cc1,PHDAQODAHHTZKQ-UHFFFAOYSA-N
-rxn:4:190072:224249,CC1CCCN(C(=O)c2ccc(F)c(-c3ccc(Cl)c(C(=O)N4CCCCC4C(F)(F)F)c3)c2)C1,FHCSBEVZSSTPDL-UHFFFAOYSA-N
-rxn:4:190072:225125,O=C(c1cc(-c2cc(F)ccc2OCC2CCOC2)ccc1Cl)N1CCCCC1C(F)(F)F,CGYHEHBSFWHDQE-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:4:190167:223945,Fc1cc(-c2cc(CN3CCC(F)(F)CC3)cc(C(F)(F)F)c2)ccc1OCCCN1CCOCC1,HPKFIRAEYXFZMT-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:4:190173:225833,O=S(=O)(c1cc(-c2ccnc(N3CCCCC3)c2F)c(F)cc1F)N1CCC(C(F)(F)F)CC1,WTGDOVDBMGIKFR-UHFFFAOYSA-N
-rxn:4:190213:223658,COc1ccc(S(=O)(=O)N2CCCCC2)cc1-c1ccc(S(=O)(=O)N2CCOCC2)c2ccccc12,HDIHNPWBHSUTCA-UHFFFAOYSA-N
-rxn:4:190214:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3ccc(S(=O)(=O)N4CCCCC4)cc3OC)c2)CC1,WHQKGUYIDGRVOH-UHFFFAOYSA-N
-rxn:4:190276:224792,CC(C)CSc1ncc(C(F)(F)F)cc1-c1ccc(C(=O)N(C)C2(C)CCS(=O)(=O)C2)cc1,VTRGKHRREDGRAB-UHFFFAOYSA-N
-rxn:4:190295:222616,COc1ccccc1C=C1SC(=S)N(c2ccccc2-c2cc(C3CCNCC3)cc(C(C)(C)C)c2)C1=O,UWOOVRUMKNHFGS-UHFFFAOYSA-N
-rxn:4:190344:224286,CC1CCCN(Cc2cc(C(F)(F)F)ccc2-c2ccc(OCCN3CCOCC3)c(Cl)c2)C1,CZWQXHNIRPTKLU-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:4:190376:225179,COc1ccc(-c2cccc(Cl)c2CN2CCOCC2)cc1S(=O)(=O)N1CCCCCC1,VFJRUSHOQNAFNZ-UHFFFAOYSA-N
-rxn:4:190379:223506,COc1cc(S(=O)(=O)N2CCCC(C)C2)ccc1-c1cccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1,GZFMEHMNYVLICJ-UHFFFAOYSA-N
-rxn:4:190390:222826,COc1cc(C(=O)N2CCC3(CC2)CC3)cc(-c2cccc(S(=O)(=O)N3CCNCC3)c2)c1,OROBWISHQXMSHN-UHFFFAOYSA-N
-rxn:4:190431:223179,CONC(=O)c1cc(-c2ccc(OC)cc2C(=O)N2CCC3(CC2)OCCS3)ccc1F,MHSGESGSUBLWKN-UHFFFAOYSA-N
-rxn:4:190442:225233,COc1cc(C)c(-c2cnc(Cl)c(N3CCCC(C)C3)c2)cc1S(=O)(=O)N1CCCC(C)C1,PYEUZFQMRXMIEE-UHFFFAOYSA-N
-rxn:4:190443:225633,COc1cc(C)c(-c2ccc(N3CCCCCC3)nc2)cc1S(=O)(=O)N1CCCCC1C,HCGYVURUUQPGSQ-UHFFFAOYSA-N
-rxn:4:190444:224617,Cc1cc(S(=O)(=O)N2CCOCC2)c(C(C)C)cc1-c1ccc(OCCN2CCCC2)c(Cl)c1,MAEQHBHYZNMEAP-UHFFFAOYSA-N
-rxn:4:190452:223179,CONC(=O)c1cc(-c2ccc(OC)c(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)ccc1F,ABCIPPTYBSJQEO-UHFFFAOYSA-N
-rxn:4:190452:223279,COc1ccc(-c2cnc(C3CCCN3)nc2)cc1S(=O)(=O)N1CCC2(CC1)OCCO2,BBJCENKHRUVTQN-UHFFFAOYSA-N
-rxn:4:190452:227789,COc1ccc(-c2cc(Cl)nc(C(F)(F)F)c2)cc1S(=O)(=O)N1CCC2(CC1)OCCO2,KYWPRWBSZQNMAG-UHFFFAOYSA-N
-rxn:4:190472:222923,CCC1CCCCN1S(=O)(=O)c1cc(C)c(C)cc1-c1ccc(C)c(S(=O)(=O)NC2CC2)c1,SXRNFNCMHDVQFF-UHFFFAOYSA-N
-rxn:4:190472:225919,CCC1CCCCN1S(=O)(=O)c1cc(C)c(C)cc1-c1ccc(C(F)(F)F)cc1COC,YFUUQBXJNWEWRW-UHFFFAOYSA-N
-rxn:4:190473:222748,Cc1cc(-c2cccc(C(=O)NCC3CCCO3)c2)c(S(=O)(=O)N(C)C2CCCCC2)cc1C,IRIYLYGPSPYNCS-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:4:190499:223179,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:4:190689:223540,CCOC(=O)n1cc(-c2cc(S(=O)(=O)N3CCC4(CC3)OCCO4)ccc2OC)c2cccc(C)c21,DBODJWVXIDEWLZ-UHFFFAOYSA-N
-rxn:4:190794:223687,CC(=O)CCc1c(C)nc2ccc(-c3cnc(N4CCN(C(=O)OC(C)(C)C)CC4)nc3)cc2c1Cl,JKFOJLGMQCNMQY-UHFFFAOYSA-N
-rxn:4:190823:222694,CC(C)(C)OC(=O)N1Cc2cc(-c3cccc(S(=O)(=O)NC4CCCCC4)c3)ccc2C1=O,JUFOFMSGIZIYDA-UHFFFAOYSA-N
-rxn:4:190826:223649,CC(C)(C)OC(=O)N1CCN(c2cccc(-c3ccc4c(c3)C(=O)N(C(=O)OC(C)(C)C)C4)c2)CC1,YWMFCBPLQGRCDA-UHFFFAOYSA-N
-rxn:4:190847:223481,CC(C)(C)OC(=O)N1CCc2scc(-c3ccc(S(=O)(=O)N4CCC(O[Si](C)(C)C(C)(C)C)CC4)cc3F)c2C1,DEKPQLISRHQGSL-UHFFFAOYSA-N
-rxn:4:190946:223568,COC(=O)C1=CN(c2ccc(-c3cnc4c(ccn4[Si](C(C)C)(C(C)C)C(C)C)c3Cl)cc2)c2ccc(F)cc2S1(=O)=O,HWKSWZFYOASYNS-UHFFFAOYSA-N
-rxn:4:190947:223641,CCc1cc2c(cc1F)cc(-c1cccc(N3C=C(C(=O)OC)S(=O)(=O)c4cc(F)ccc43)c1)n2C(=O)OC(C)(C)C,IRPVKODIJPKBQV-UHFFFAOYSA-N
-rxn:4:190953:224485,CC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3)c1,GMSAXEGLVBNDAT-UHFFFAOYSA-N
-rxn:4:190958:222725,CCNS(=O)(=O)c1ccc(-c2cccc3c2N(C(=O)OC(C)(C)C)CCC3)c(C(F)(F)F)c1,VONHONNWPPKXNH-UHFFFAOYSA-N
-rxn:4:190976:222639,C[C@H](NC(=O)OC(C)(C)C)c1ccc(-c2ccc3c(c2)C(F)(F)CN(C(=O)OC(C)(C)C)C3)cc1,USXOJKQOIQRZFF-KRWDZBQOSA-N
-rxn:4:190977:222910,CCCNS(=O)(=O)c1ccc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3(F)F)c(C)c1,MYYLAICVCXLFNU-UHFFFAOYSA-N
-rxn:4:190978:224413,COc1cc(C(F)(F)F)cc(C(F)(F)F)c1-c1ccc2c(c1)N(C(=O)OC(C)(C)C)CCS2(=O)=O,SFEPWWAPPYMFSY-UHFFFAOYSA-N
-rxn:4:190993:223753,Cc1ccc(-c2ccc3c(c2)CN(CCc2ccc(Cl)cc2)C(=O)CO3)cc1OCCCN1CCN(C)CC1,NOECWZUAYUDFRS-UHFFFAOYSA-N
-rxn:4:190998:224634,COC(=O)c1cc(Cl)ccc1N1Cc2cc(-c3ccc(OC)c(CN4CCOCC4)c3)ccc2OCC1=O,LYQOSHSZFKQSTR-UHFFFAOYSA-N
-rxn:4:191008:225744,CC(C)(C)OC(=O)c1cncc(-c2ccc3c(c2)C(=O)N(C(=O)OC(C)(C)C)C3(C)C)c1,RGJLLCBPARYHQA-UHFFFAOYSA-N
-rxn:4:191026:225283,CCC(C)c1cc(-c2ccc3c(c2)N(c2ccc(C)c(Cl)c2)C=C(C(=O)OC)S3(=O)=O)cnc1C(F)(F)F,HBPJWKHSMJARBT-UHFFFAOYSA-N
-rxn:4:191039:224288,CN(C(=O)OC(C)(C)C)c1ccc(-c2ccc3c(c2)C(C)(C)CN3C(=O)OC(C)(C)C)c(Cl)c1,YHQRYPORJUBBJR-UHFFFAOYSA-N
-rxn:4:191062:223279,CS(=O)(=O)C1CC2CCC(C1)N2S(=O)(=O)c1ccccc1-c1cnc(C2CCCN2)nc1,JTQYOLYKGMYJOZ-UHFFFAOYSA-N
-rxn:4:191063:223279,CC(C)(C)OC(=O)N1CC2(CC(=O)c3ccc(-c4cnc(C5CCCN5)nc4)cc3O2)C1,FJTSRWWCWZNBTP-UHFFFAOYSA-N
-rxn:4:191073:223179,CONC(=O)c1cc(-c2ccc3c(c2)C2(CCN(C(=O)OC(C)(C)C)C2)OC3)ccc1F,URPSMVNPBBIWFQ-UHFFFAOYSA-N
-rxn:4:191080:224420,COC(=O)C1=CN(c2ccc(C)c(C)c2)c2cc(-c3cc4c(cc3C)C(C)(C)CCC4(C)C)ccc2S1(=O)=O,AQYYMTQTZBBXFG-UHFFFAOYSA-N
-rxn:4:191087:225917,CCOC(=O)c1cc(F)c(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CCC3(C)C)c(F)c1,FIFUGTKYDIACAV-UHFFFAOYSA-N
-rxn:4:191092:224796,CC(C)(C)COS(=O)(=O)c1cncc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)C(C)(C)C3)c1,FNENZCMEHYYMPP-UHFFFAOYSA-N
-rxn:4:191094:223279,CC(C)(C)OC(=O)N1C(=O)C2(CCCC2)c2cc(-c3cnc(C4CCCN4)nc3)ccc21,HVRITIVWBHEMDC-UHFFFAOYSA-N
-rxn:4:191097:224794,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
-rxn:4:191097:225106,CCN(CC)C(=O)c1ccc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)cc1Cl,KMZIYJFHHFODGV-UHFFFAOYSA-N
-rxn:4:191097:226523,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3ccc(C(=O)OC(C)(C)C)s3)cc21,OWPIVZABYVNZII-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:4:191098:223279,CC(C)(C)OC(=O)N1CCC2(CC(=O)c3cc(-c4cnc(C5CCCN5)nc4)ccc3O2)C1,QYJMWOZRWHTVOD-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:4:191100:223179,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:4:191104:226844,CC(C)(C)OC(=O)N1CCC2(CC1)COc1ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc12,YJCVKGNONCGSGZ-UHFFFAOYSA-N
-rxn:4:191116:224205,CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)c1cc(-c3cc(F)cc(F)c3OCc3ccccc3)ccc12,BVLJGLZIJCNALS-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:4:191117:223279,CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)c1cccc(-c3cnc(C4CCCN4)nc3)c12,JMJYBSOCICXLNI-UHFFFAOYSA-N
-rxn:4:191118:224158,CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)c1ccc(-c3ccc4c(ccn4C(=O)OC(C)(C)C)c3)cc12,CDCLJNIGOOESRH-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:4:191119:223179,CONC(=O)c1cc(-c2ccc3c(c2)C(=O)C2(CCN(C(=O)OC(C)(C)C)CC2)C3)ccc1F,VLVBBBWWOGNNHX-UHFFFAOYSA-N
-rxn:4:191119:223279,CC(C)(C)OC(=O)N1CCC2(CC1)Cc1ccc(-c3cnc(C4CCCN4)nc3)cc1C2=O,OTLWOUVNXCLBDS-UHFFFAOYSA-N
-rxn:4:191121:223179,CONC(=O)c1cc(-c2ccc3c(c2F)C(=O)C2(CCN(C(=O)OC(C)(C)C)CC2)C3)ccc1F,BMRPAGMIHDXHOZ-UHFFFAOYSA-N
-rxn:4:191123:223179,CONC(=O)c1cc(-c2cccc3c2C2(CC3)CCN(C(=O)OC(C)(C)C)CC2)ccc1F,JNLLFUYQILKXKL-UHFFFAOYSA-N
-rxn:4:191123:226844,CC(C)(C)OC(=O)N1CCC2(CCc3cccc(-c4ccnc(C(=O)C(F)(F)F)c4)c32)CC1,QHLCNDAMAYTXNI-UHFFFAOYSA-N
-rxn:4:191124:226421,CC(C)(C)OC(=O)N1CCC2(CCc3ccc(-c4ccc(Cl)cc4N4CCCC4)cc32)CC1,BUWDMHDUGDQZHN-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:4:191126:223279,CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)c1cc(-c3cnc(C4CCCN4)nc3)ccc1O2,BNTSUATVHJAVQO-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:4:191127:223279,CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)c1ccc(-c3cnc(C4CCCN4)nc3)cc1O2,BBDVACFIWYBAQO-UHFFFAOYSA-N
-rxn:4:191130:223179,CONC(=O)c1cc(-c2ccc3c(c2)OC2(CC3)CCN(C(=O)OC(C)(C)C)CC2)ccc1F,AVWKRZCKAMNBCW-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:4:191137:223179,CONC(=O)c1cc(-c2ccccc2C2OC3(C(=O)c4ccccc4C3=O)C3C(=O)N(c4ccc(OC)cc4)C(=O)C23)ccc1F,PBZSHMSHBPDIDD-UHFFFAOYSA-N
-rxn:4:191150:222936,CCC(=O)NS(=O)(=O)c1ccc(-c2ccc3c(c2)C2CCC3N2C(=O)OC(C)(C)C)cc1,NUDJUJUFJOVEMH-UHFFFAOYSA-N
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-rxn:4:191171:224845,CC1=CC(C)(C)N2C(=O)C(=O)c3cc(OC(=O)c4ccccc4-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)cc1c32,GGEPZWYYNKHXCT-UHFFFAOYSA-N
-rxn:4:191194:222646,Cc1cc(NC(=O)OC(C)(C)C)cc(C)c1-c1ccc2c3c(cccc13)C(=O)N(c1c(C(C)C)cccc1C(C)C)C2=O,XCYQJQPCPNOQBO-UHFFFAOYSA-N
-rxn:4:191195:228434,CC1C(=O)C(C)(C)N(C(=O)OC(C)(C)C)c2c1cc(-c1ccc(C(F)F)c(F)c1)c1c2CCC1,MKDJBVOPGPQGFG-UHFFFAOYSA-N
-rxn:4:191204:228957,CN1C(=O)C(S(=O)(=O)c2ccc(C(C)(C)C)cc2)C2CC1(C)Oc1ccc(-c3cc(F)cc(Cl)c3F)cc12,AYLRTWXYBYRYCB-UHFFFAOYSA-N
-rxn:4:191641:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cnc(F)c(C(F)(F)C(F)(F)F)c3)ccn2)CC1,SXJKFGQCVUFCJV-UHFFFAOYSA-N
-rxn:4:192025:223541,O=S(=O)(c1cc(F)c(F)cc1-c1cccc(OC2COC2)n1)N1CCC2(CC1)OCCO2,WTTHTPYOAIEPJX-UHFFFAOYSA-N
-rxn:4:192519:223480,COc1cc(-c2cc(C)c(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c(C)c2)cc(C2COC2)n1,JUUPUKJBAHFADZ-UHFFFAOYSA-N
-rxn:4:193303:222952,O=C(Nc1cccc(-c2cc(S(=O)(=O)N3CCC(F)(F)C3)c(F)cc2F)c1F)C(F)(F)F,IFDSJPFOJHHSSM-UHFFFAOYSA-N
-rxn:4:193304:223559,CC(=O)c1cc(C(C)(C)C)cc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)n1,OHBCDKYCHJSSME-UHFFFAOYSA-N
-rxn:4:193425:223830,CCN1CCN(S(=O)(=O)c2cc(-c3cccc(CN4CCCCC4=O)c3)ccc2C)CC1,HKZKUVCYJAZIFV-UHFFFAOYSA-N
-rxn:4:193589:223481,Cc1ccc(CN2CCC(F)(F)C2)c(-c2ccc(S(=O)(=O)N3CCC(O[Si](C)(C)C(C)(C)C)CC3)cc2F)c1,CDWDSKKDWYLZOT-UHFFFAOYSA-N
-rxn:4:193599:222700,FC1(F)CCN(Cc2cccc(-c3ccc(C(F)(F)F)cc3C3CCCNC3)c2Cl)CC1,SEJUNZHXBXKYPM-UHFFFAOYSA-N
-rxn:4:193602:222604,COc1ccc(-c2ccc(CN3CCS(=O)(=O)CC3)c(F)c2)cc1S(=O)(=O)NC1CCCC1,PSGNPNSVFDJFTH-UHFFFAOYSA-N
-rxn:4:193602:224485,CC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2ccc(CN3CCS(=O)(=O)CC3)c(F)c2)c1,QHOBOAWBQASTQI-UHFFFAOYSA-N
-rxn:4:193680:223839,COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cc(C2CC2)cc(N2CCCC2)c1,IKYGZUAHDQDTIO-UHFFFAOYSA-N
-rxn:4:193686:222546,Cc1ccc(-c2ccc(OCCNC3CCCCC3)c(F)c2)cc1S(=O)(=O)N1CCOCC1,ZSPPGDNIIZDWIN-UHFFFAOYSA-N
-rxn:4:193745:223835,Cc1cc(F)c(-c2cc(C3CC3)ccc2N2CCOCC2)cc1S(=O)(=O)N1CCC(C)CC1,JYJUGNYIHLECBY-UHFFFAOYSA-N
-rxn:4:193747:222537,c1cc(-c2cc(C3CCCC3)nc(C3CCCNC3)c2)c(C2CC2)cc1N1CCOCC1,XWYQKBZQENCYCJ-UHFFFAOYSA-N
-rxn:4:193751:222466,CC1CCCN(C(=O)c2cc(Cl)ccc2-c2cc(C3CCCCC3)nc(C3CCNCC3)c2)C1,YQXCIULCQBFULE-UHFFFAOYSA-N
-rxn:4:193758:223970,Cc1ccc(-c2cc(C(=O)N3CCCC(C)C3)ccc2F)cc1S(=O)(=O)N1CCC(C)CC1,VLGGXJHOIRIUFM-UHFFFAOYSA-N
-rxn:4:193775:224060,COc1c(C(C)(C)C)cc(-c2ccc(N3C(=O)C=CC3=O)c(C(C)(C)C)c2)cc1C(C)(C)C,DUIWCTINXLBTCL-UHFFFAOYSA-N
-rxn:4:193777:224586,CC1CCN(Cc2ccc(F)cc2-c2cc(F)c(C(=O)N3CCCC(C)C3)c(F)c2)CC1,ZQLPWXNHOLNFDW-UHFFFAOYSA-N
-rxn:4:193779:223557,Cc1ccc(-c2c(F)ccc3c2ccn3[Si](C(C)C)(C(C)C)C(C)C)cc1C(=O)N1CCS(=O)(=O)CC1,OJFRXALOXCRTIL-UHFFFAOYSA-N
-rxn:4:193779:223570,Cc1ccc(-c2c(F)ncc3c2ccn3[Si](C(C)C)(C(C)C)C(C)C)cc1C(=O)N1CCS(=O)(=O)CC1,FTWBPFNWMFLONR-UHFFFAOYSA-N
-rxn:4:193815:222546,CC1CCN(Cc2cc(F)cc(-c3ccc(OCCNC4CCCCC4)c(F)c3)c2)CC1,CALIRXYMUXGFIZ-UHFFFAOYSA-N
-rxn:4:193829:223844,CC1CCCN(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCCC4)cc3C(F)(F)F)cc2)C1,NUCXLVOECGGSHJ-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:4:193912:223999,CC1CCN(S(=O)(=O)c2ccc(F)c(-c3ccc(N4C(=O)CS(=O)C(c5ccc(Cl)cc5)C4=O)cc3)c2)CC1,IYDXEHHDXAIGNN-UHFFFAOYSA-N
-rxn:4:193957:222740,Cc1ccc(-c2cc(C(C)C)nc(C3CCCNC3)c2)cc1S(=O)(=O)N1CCC(C)CC1,MQBSWUOGHPTURK-UHFFFAOYSA-N
-rxn:4:193957:222826,Cc1ccc(-c2cccc(S(=O)(=O)N3CCNCC3)c2)cc1S(=O)(=O)N1CCC(C)CC1,FZUUDLAUKCDTTQ-UHFFFAOYSA-N
-rxn:4:193961:223540,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C,PMLWEDSWHTTWGP-UHFFFAOYSA-N
-rxn:4:193972:223054,Cc1cc(-c2ccc(C(C)N3CCC(O)C3)s2)c(S(=O)(=O)N2CCCCCC2)cc1Cl,UAJNMJPZLYGLIK-UHFFFAOYSA-N
-rxn:4:193974:225291,CC(C)Oc1cc(C(F)(F)F)ccc1-c1cccc(S(=O)(=O)N2CCC3(CC2)OCCO3)c1,YOIVGJULQJEHLG-UHFFFAOYSA-N
-rxn:4:193977:223279,O=S(=O)(c1cc(F)c(F)cc1-c1cnc(C2CCCN2)nc1)N1CCC2(CC1)OCCO2,AYYWXRYSCJRQDO-UHFFFAOYSA-N
-rxn:4:193991:224010,COc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1cc(C)c(S(=O)(=O)N2CCCCCC2)cc1C,JPTWLZRFMIVIQI-UHFFFAOYSA-N
-rxn:4:193998:222712,Cc1cc(-c2ccc(NC(=O)OC(C)(C)C)c(F)c2F)c(S(=O)(=O)N2CCCCCC2)cc1C,DCYPYLBFAMQIDG-UHFFFAOYSA-N
-rxn:4:194036:223504,COC(=O)c1nc2c(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)c([N+](=O)[O-])c3)cccc2s1,AUYGBZCNVCYYOL-UHFFFAOYSA-N
-rxn:4:194684:222466,CSc1ccc(N2Cc3cc(-c4cc(C5CCCCC5)nc(C5CCNCC5)c4)ccc3OCC2=O)cc1,FWIOUAMWLALPII-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:4:194687:223179,CONC(=O)c1cc(-c2cccc3c2C2(CCN(C(=O)C(F)(F)F)CC2)CC3=O)ccc1F,UKJOQJSFZRGQCJ-UHFFFAOYSA-N
-rxn:4:194687:223279,O=C1CC2(CCN(C(=O)C(F)(F)F)CC2)c2c1cccc2-c1cnc(C2CCCN2)nc1,KVDLHPIDWJLRNO-UHFFFAOYSA-N
-rxn:4:194733:226842,O=C(c1cc(-c2cncc(C(=O)C(F)(F)F)c2)ccc1Cl)N1C2CCC1CC(=C1CC1)C2,NQCSZTMDGOVXLJ-UHFFFAOYSA-N
-rxn:4:194776:223993,Cc1cc(-c2ccc(C3(N4C(=O)c5ccccc5C4=O)CC4(C3)OCCO4)cc2)ccc1S(=O)(=O)N1CCN(C)CC1,OLFLTTXQVLVFCW-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:4:194799:223179,CONC(=O)c1cc(-c2ccc(N3C(=O)C4C(c5ccccc5C)OC5(C(=O)c6ccccc6C5=O)C4C3=O)cc2)ccc1F,DNNIRTUKJKFHSI-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:4:194801:226844,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:4:195595:223493,Cc1cc(C(F)F)c(-c2cc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)ccc2C)cn1,DAMUKZDCQRYTMK-UHFFFAOYSA-N
-rxn:4:196488:223593,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ncc(C4(C)CCOC4)s3)cc2Cl)CC1,JMEWVQQBWAFVGU-UHFFFAOYSA-N
-rxn:4:196636:222514,COc1ccc(-c2ccc(N3C(=O)C=CC3=O)c(C)c2)cc1S(=O)(=O)NC1CCCCC1,IJAAAUIAVIFQAQ-UHFFFAOYSA-N
-rxn:4:197161:223489,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3ccc4c(ccn4C(F)F)c3)cc2)CC1,LDKCQSOSWOXVKB-UHFFFAOYSA-N
-rxn:4:197945:223957,CC(C)(C)[Si](C)(C)OCc1c(F)cc(-c2cccc3c2CCCC3N2CCCC2)cc1F,DVRPMRFHVBTEEL-UHFFFAOYSA-N
-rxn:4:197963:224082,CCC(C(=O)OC(C)(C)C)c1cccc(-c2ccc3c(c2)CN([C@H]2CC[C@H](C)CC2)C3=O)c1,WGHPHGHHNCIOJB-SSEMJGATSA-N
-rxn:4:197986:224656,COc1ccc(-c2cccc3c2CCCC3N2CCCCC2C)c(F)c1OC1CCCC1,UNDJNEPGHYKJPR-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:4:198071:223279,CC1(C)CC(=O)C2=C(C1)N=C1c3ccccc3C(=O)C1C2c1ccc(-c2cnc(C3CCCN3)nc2)cc1,VKNBPNSETSHWEO-UHFFFAOYSA-N
-rxn:4:199469:222637,COC(=O)C(C(=O)OC)c1ncc(-c2ccc(C(C)NC(=O)OC(C)(C)C)cc2)cc1C#N,CXOUQKDCCVHYTQ-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:4:199499:222758,Cc1cc(-c2ccnc(N(CC(F)F)C(=O)OC(C)(C)C)c2)ccc1NC(=O)OC(C)(C)C,ZOHWZZRHMGTRRO-UHFFFAOYSA-N
-rxn:4:199500:222843,COC(=O)C(C(=O)OC(C)(C)C)c1ncc(-c2ccc(C)cc2C(=O)NC(C)(C)C)cn1,CIZOZVOEWQSTAF-UHFFFAOYSA-N
-rxn:4:199574:223167,O=[N+]([O-])c1ccc(OCCN2CCCC(C(F)(F)F)C2)c(-c2ccnc(N3CCNCC3)c2)c1,FRKAMRRBIOGWTO-UHFFFAOYSA-N
-rxn:4:199574:223179,CONC(=O)c1cc(-c2cc([N+](=O)[O-])ccc2OCCN2CCCC(C(F)(F)F)C2)ccc1F,NUUBFHOVFANIML-UHFFFAOYSA-N
-rxn:4:199574:223240,O=[N+]([O-])c1ccc(OCCN2CCCC(C(F)(F)F)C2)c(-c2ccc(C3CCNC3)nc2)c1,CIGVSJYCTVLEKT-UHFFFAOYSA-N
-rxn:4:199574:226794,O=[N+]([O-])c1ccc(OCCN2CCCC(C(F)(F)F)C2)c(-c2cnc(N3CCSCC3)nc2)c1,QGJBETKREZKSEB-UHFFFAOYSA-N
-rxn:4:199575:223279,O=[N+]([O-])c1ccc(OCCN2CCC(C(F)(F)F)CC2)c(-c2cnc(C3CCCN3)nc2)c1,CEGJWAGHIJLJTN-UHFFFAOYSA-N
-rxn:4:199575:223294,O=[N+]([O-])c1ccc(OCCN2CCC(C(F)(F)F)CC2)c(-c2csc(N3CCNCC3)n2)c1,OZJNPBKJEGJQPI-UHFFFAOYSA-N
-rxn:4:199575:224390,O=[N+]([O-])c1ccc(OCCN2CCC(C(F)(F)F)CC2)c(-c2cnc(-c3ccc(C(F)(F)F)cc3)nc2)c1,VYCGYYSTFNMNNY-UHFFFAOYSA-N
-rxn:4:199577:223279,CN1CCN(C(=O)COc2ccc(OC(F)(F)F)cc2-c2cnc(C3CCCN3)nc2)CC1,XTHCMVSSXDKAQN-UHFFFAOYSA-N
-rxn:4:199594:226843,CCC1CCCCN1C(=O)COC(=O)c1cncc(-c2ccc(C(=O)C(F)(F)F)nc2)c1,XIWZCZNHWWWOGL-UHFFFAOYSA-N
-rxn:4:199608:223836,COc1ncnc2c1cc(-c1ccc(OC3CCN(C(=O)COc4ccc(F)cc4)C3)nc1)n2C(=O)OC(C)(C)C,IFESCXHWYPAZFN-UHFFFAOYSA-N
-rxn:4:199618:223179,CONC(=O)c1cc(-c2ccc(C(=O)N(CCN(C)C)C3CCOCC3)o2)ccc1F,OQWMPTGPCBGDEZ-UHFFFAOYSA-N
-rxn:4:199620:223179,CONC(=O)c1cc(-c2cccnc2OC2CCN(C(=O)C(C)(C)OC(C)=O)C2)ccc1F,OGKYUIZJZZYFGW-UHFFFAOYSA-N
-rxn:4:199620:223279,CC(=O)OC(C)(C)C(=O)N1CCC(Oc2ncccc2-c2cnc(C3CCCN3)nc2)C1,KXFWUWGHSMEKHJ-UHFFFAOYSA-N
-rxn:4:199621:223279,CCOC(=O)CC1CCN(c2ccc([N+](=O)[O-])cc2-c2cnc(C3CCCN3)nc2)CC1,VIBOKTITIDBMMI-UHFFFAOYSA-N
-rxn:4:199644:224377,CCN1CCN(CCCOc2c(F)cccc2-c2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)CC1,OKAXGWWGHONBEW-UHFFFAOYSA-N
-rxn:4:199645:223179,CONC(=O)c1cc(-c2cccc(OCC3CCCN3C(=O)OC(C)(C)C)n2)ccc1F,QENHRRJVEUWYSL-UHFFFAOYSA-N
-rxn:4:199645:224711,CCCCOc1ccc(C(F)(F)F)cc1-c1cccc(OCC2CCCN2C(=O)OC(C)(C)C)n1,NSLCTDFTLLRHEM-UHFFFAOYSA-N
-rxn:4:199649:223179,CONC(=O)c1cc(-c2cnc(OCC3CN(C(=O)OC(C)(C)C)C3)cc2C)ccc1F,SLXXXQBRNGOEHQ-UHFFFAOYSA-N
-rxn:4:199651:223179,CCN1CCN(Cc2cccc(-c3ccc(F)c(C(=O)NOC)c3)c2OCC(F)(F)F)CC1,QMBFZCNTCIBQAN-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:4:199669:223179,CONC(=O)c1cc(-c2cnccc2OC2CCN(C(=O)CSC3CCCC3)C2)ccc1F,PDCIDTXNLURMHA-UHFFFAOYSA-N
-rxn:4:199669:223279,O=C(CSC1CCCC1)N1CCC(Oc2ccncc2-c2cnc(C3CCCN3)nc2)C1,FWZPRDZZYOAZHY-UHFFFAOYSA-N
-rxn:4:199669:225335,CCOc1cc(OC(F)(F)F)ccc1-c1cnccc1OC1CCN(C(=O)CSC2CCCC2)C1,LSORQTPPPGSSEY-UHFFFAOYSA-N
-rxn:4:199669:225570,COC(=O)c1ccc(C2CC2)c(-c2cnccc2OC2CCN(C(=O)CSC3CCCC3)C2)c1,VBAGBZXDJFKQPI-UHFFFAOYSA-N
-rxn:4:199673:223279,COc1ccc(-c2cnc(C3CCCN3)nc2)cc1CCC(=O)N1CC(N2C(=O)CCC2=O)C1,CKSYQSRAYYRWSA-UHFFFAOYSA-N
-rxn:4:199687:226844,O=C(c1ccc(OC(F)(F)F)cc1)N1CCC(Oc2ncccc2-c2ccnc(C(=O)C(F)(F)F)c2)CC1,LPQBTCUIYPSORX-UHFFFAOYSA-N
-rxn:4:199690:223179,CONC(=O)c1cc(-c2cncc(CN(C(=O)OC(C)(C)C)C3CCCC3)c2)ccc1F,DGLFYBSSPOFDLZ-UHFFFAOYSA-N
-rxn:4:199691:223179,CCCOc1cc(S(=O)(=O)N2CCN(C(C)=O)CC2)ccc1-c1ccc(F)c(C(=O)NOC)c1,KDZKSYKMDCZSMG-UHFFFAOYSA-N
-rxn:4:199692:223279,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3cnc(C4CCCN4)nc3)cc2C#N)CC1,RYJYDQJDOBQZMR-UHFFFAOYSA-N
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-rxn:4:200013:226844,CCC1SC2=NC(C)=C(C(=O)OC(C)C)C(c3cc(-c4ccnc(C(=O)C(F)(F)F)c4)ccc3OC)N2C1=O,DYRRVQPCRWRHDT-UHFFFAOYSA-N
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-rxn:4:200374:222426,CCOC(=O)c1sc(=NC(=O)c2cccc(-c3ccc4c(c3)C3(CCN(C(=O)OC(C)(C)C)CC3)C(=O)N4)c2)n(C)c1C,YNZVAVYOQSGECO-UHFFFAOYSA-N
-rxn:4:200384:223179,CONC(=O)c1cc(-c2ccccc2CCC(=O)N2CC(N3C(=O)COC3=O)C2)ccc1F,PVQQRTNSXWOUMW-UHFFFAOYSA-N
-rxn:4:200385:223279,O=C(Cc1ccc(F)cc1-c1cnc(C2CCCN2)nc1)N1CCN(CC(F)(F)F)CC1,POOTVMWHDBVQEG-UHFFFAOYSA-N
-rxn:4:200431:226580,CN(C)C(=O)c1ccc(F)c(-c2ccc(C(=O)N3CCC(CSC4=NCCS4)CC3)o2)c1,SODAGBCFANRTGR-UHFFFAOYSA-N
-rxn:4:200431:226585,CN(C)C(=O)c1ccc(Cl)c(-c2ccc(C(=O)N3CCC(CSC4=NCCS4)CC3)o2)c1,UDARXXRYBGKJSE-UHFFFAOYSA-N
-rxn:4:200441:223279,CCOC(=O)c1nc(N2CCC(C(F)(F)F)CC2)ccc1-c1cnc(C2CCCN2)nc1,UEEXNEWOQVCDHO-UHFFFAOYSA-N
-rxn:4:200479:223075,COCCN1CCN(S(=O)(=O)c2cccc(-c3ccc(NS(=O)(=O)C4CC4)cc3)c2)CC1,KHIPWXGVFVRKEZ-UHFFFAOYSA-N
-rxn:4:200493:223279,O=C(Cc1ccc(-c2cnc(C3CCCN3)nc2)cc1)N1CC(CN2C(=O)CCC2=O)C1,CVCLJQBIUHGOGV-UHFFFAOYSA-N
-rxn:4:200519:226258,CCCOC(=O)c1cccc(-c2ccc(C(=O)N3CCC[C@H]3C(=O)OC(C)(C)C)nc2)c1,FNWMBCBWYNRMPO-NRFANRHFSA-N
-rxn:4:200520:223279,O=C(CCc1ccc(-c2cnc(C3CCCN3)nc2)cc1)N1CCC(N2C(=O)CSC2=O)C1,YGNIEOUKZXAQRU-UHFFFAOYSA-N
-rxn:4:200555:224403,CC(C)(C)OC(=O)N1CCC(Cc2cccc(-c3cnc(N4CCOCC4)c(C(F)(F)F)c3)n2)C1,KUMADXSVIWGQAA-UHFFFAOYSA-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:4:200563:226844,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:4:200567:222956,CCOC(=O)N1CCN(S(=O)(=O)c2ccc(-c3ccc(C)cc3C3CCCNC3)c(C)c2)CC1,ZNYWQOKMCSLOIF-UHFFFAOYSA-N
-rxn:4:200567:223279,CCOC(=O)N1CCN(S(=O)(=O)c2ccc(-c3cnc(C4CCCN4)nc3)c(C)c2)CC1,LJONXISGCKVIRR-UHFFFAOYSA-N
-rxn:4:200568:223179,CCOc1ccc(-c2ccc(F)c(C(=O)NOC)c2)cc1S(=O)(=O)N1CCN(C(C)=O)CC1,YOUHIZFLPUWQMW-UHFFFAOYSA-N
-rxn:4:200573:223279,O=C(c1cc(-c2cnc(C3CCCN3)nc2)ccc1Cl)N1CCC(CSC2=NCCS2)CC1,UUTTUGWYFTXWKT-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:4:200575:223279,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3cnc(C4CCCN4)nc3)c(C(F)(F)F)n2)C1,SKBUOBSRYQYVPH-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:4:200599:223179,CCOc1cc(S(=O)(=O)N2CCN(CC)CC2)ccc1-c1ccc(F)c(C(=O)NOC)c1,AXXOXGBUOXZSEE-UHFFFAOYSA-N
-rxn:4:200600:225233,CCCOc1cc(S(=O)(=O)N2CCN(C)CC2)ccc1-c1cnc(Cl)c(N2CCCC(C)C2)c1,SRAMPOWZXZRUJI-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:4:200602:223179,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:4:200608:223646,COc1ncc(-c2ccc(OC3CCN(C(=O)OC(C)(C)C)C3)cc2)cc1C1CCN(C(=O)OC(C)(C)C)C1,ISUPIXTUVRASHK-UHFFFAOYSA-N
-rxn:4:200609:223279,CC(C)N1CCN(Cc2ccc(-c3cnc(C4CCCN4)nc3)cc2OC(F)(F)F)CC1,NBFCJEKNIDPEAD-UHFFFAOYSA-N
-rxn:4:200610:223279,CC(C)(C)OC(=O)N1CCC(Oc2ncc(-c3cnc(C4CCCN4)nc3)cc2F)CC1,UGAKWJDCKCGENJ-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:4:200615:226844,COc1cc(S(=O)(=O)N2CCN(C(C)=O)CC2)c(OC)cc1-c1ccnc(C(=O)C(F)(F)F)c1,SLNGFGLIZLSZOV-UHFFFAOYSA-N
-rxn:4:200620:223481,Cc1cc(OCC2CCN(C(=O)c3ccc(-c4ccc(S(=O)(=O)N5CCC(O[Si](C)(C)C(C)(C)C)CC5)cc4F)o3)CC2)ccn1,ZSFDPJQGRFAWBZ-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:4:200644:223279,CCN1CCN(S(=O)(=O)c2cc(OC)c(-c3cnc(C4CCCN4)nc3)cc2OC)CC1,LGOYZEOIJYZRGS-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:4:200646:223179,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:4:200647:223279,CC(C)(C)OC(=O)N1CCC(C#N)(c2ccc(-c3cnc(C4CCCN4)nc3)cc2)CC1,GNPMASOBIILJPH-UHFFFAOYSA-N
-rxn:4:200649:223279,CC(C)(C)OC(=O)N1CCC(C#N)(c2ccccc2-c2cnc(C3CCCN3)nc2)CC1,UIOVESOYBUQOGK-UHFFFAOYSA-N
-rxn:4:200650:223279,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccccc2-c2cnc(C3CCCN3)nc2)CC1,XVFHNHPSMZTFRP-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:4:200652:223279,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:4:200654:222470,COc1ccc(CNC(=O)c2cccc(-c3cc(C#N)cc(C4CCCN(C(=O)OC(C)(C)C)C4)c3)c2)cc1,OXJIHOIMRDDMFC-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:4:200654:223939,CC(C)(C)OC(=O)N1CCCC(c2cc(C#N)cc(-c3ccc4c(c3)N(C(=O)OC(C)(C)C)CCO4)c2)C1,JJYJRUDJKBGFJE-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:4:200671:223279,O=C(CCc1ccccc1-c1cnc(C2CCCN2)nc1)N1CCC(N2C(=O)COC2=O)CC1,KGZVSLKKGDLMPA-UHFFFAOYSA-N
-rxn:4:200694:226142,CC(C)c1ccc(OCC(=O)N2CCN(C)CC2)c(-c2cccc(OC3CCCC3)c2)c1,PVTONMHDKNLYDM-UHFFFAOYSA-N
-rxn:4:200696:223179,CONC(=O)c1cc(-c2cccc(CN3CCN(C(=O)OC(C)(C)C)CC3)c2)ccc1F,RJRXIEMPXZLLKT-UHFFFAOYSA-N
-rxn:4:200699:226844,COC(=O)c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)c(CN2CCN(C(C)C)CC2)c1,BDPSECYWPPDLAY-UHFFFAOYSA-N
-rxn:4:200705:223279,CC(C)(C)OC(=O)N1CCN(Cc2cccc(-c3cnc(C4CCCN4)nc3)c2Cl)CC1,HRZDUQQEPDGXQA-UHFFFAOYSA-N
-rxn:4:200710:224270,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)cc(-c3cn(C(=O)OC(C)(C)C)c4ncccc34)c2)CC1,FFRIKGYHYYLCPA-UHFFFAOYSA-N
-rxn:4:200710:225210,Cc1nc(N2CCC(C)CC2)ncc1-c1cc(F)cc(CN2CCN(C(=O)OC(C)(C)C)CC2)c1,ZWPQBJDRANALRA-UHFFFAOYSA-N
-rxn:4:200715:227502,CC(C)Oc1ncc(-c2cc(C(F)F)nc(C3CCCN(C(=O)OC(C)(C)C)C3)c2)cc1Cl,WAHWXPQORAUHAL-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:4:200719:223179,CCOC(=O)N1CCN(S(=O)(=O)c2cc(-c3ccc(F)c(C(=O)NOC)c3)c(C)cc2C)CC1,ZBAMNYBUSCDXAQ-UHFFFAOYSA-N
-rxn:4:200719:225633,CCOC(=O)N1CCN(S(=O)(=O)c2cc(-c3ccc(N4CCCCCC4)nc3)c(C)cc2C)CC1,PXTRLUUISHRKTG-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:4:200725:223179,CONC(=O)c1cc(-c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)cc(C(F)(F)F)c2)ccc1F,UTPGSXLRYZJVQX-UHFFFAOYSA-N
-rxn:4:200725:223279,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cnc(C4CCCN4)nc3)cc(C(F)(F)F)c2)CC1,XJDXXUMZUUUGTE-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
-rxn:4:200727:223179,CONC(=O)c1cc(-c2ccc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c(F)c2)ccc1F,ALFSIRZJQBTOPE-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:4:200730:223179,CONC(=O)c1cc(-c2cccc(N3CCN(C(=O)OC(C)(C)C)CC3)c2C(F)(F)F)ccc1F,SAVGFPGASTWFLY-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:4:200730:226844,CC(C)(C)OC(=O)N1CCN(c2cccc(-c3ccnc(C(=O)C(F)(F)F)c3)c2C(F)(F)F)CC1,JSOCVOXPRPXRAZ-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:4:200733:226844,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2C(F)(F)F)CC1,OYBIALRVAZUJKN-UHFFFAOYSA-N
-rxn:4:200735:223279,CC(C)(C)OC(=O)c1nc(N2CCC(C(F)(F)F)CC2)ccc1-c1cnc(C2CCCN2)nc1,CJFLGKOQOHVSCQ-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:4:200737:226844,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:4:200741:223748,COc1cc(C)c(-c2cc(N3CCCCC3)cc(N3CCCCC3)c2)cc1S(=O)(=O)N1CCN=C1Cc1ccccc1,RFDHOCQCUBOJHB-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:4:200758:223179,CONC(=O)c1cc(-c2cc(OC)c(C(=O)N3CCN(C(C)C)CC3)c(OC)c2)ccc1F,IHGXFXCVZMPUFX-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:4:200760:223775,COc1ccc2c(c1)c(-c1cnc(OC3CCN(C(=O)OC(C)(C)C)CC3)cc1C)cn2C(=O)OC(C)(C)C,XPOHXSHFYXKNEV-UHFFFAOYSA-N
-rxn:4:200762:224182,Cc1cc(-c2ccc(CN3CC4(C3)CN(C(=O)OC(C)(C)C)C4)cc2)ccc1OCCN1CCOCC1,RGHPCZOPCBTUFH-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:4:200768:223918,Cc1ccc(-c2cc(C(=O)N(C)C3CCCCC3)ccc2F)cc1C(=O)N1CCCC(COc2ccncc2)C1,RGOKVWVSPQXNBL-UHFFFAOYSA-N
-rxn:4:200780:223179,CONC(=O)c1cc(-c2ccc(OC)cc2C(=O)N2CC(N3CCC(OC)CC3)C2)ccc1F,GSZCMLICIKBKQT-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:4:200789:225363,CC1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1ccc(-c2ccc(C(=O)N3CC(F)(F)C3)nc2)c(F)c1,GFFCXVMGXPSORB-UHFFFAOYSA-N
-rxn:4:200799:223179,CONC(=O)c1cc(-c2ccccc2CCC(=O)N2CCC(N3C(=O)COCC3=O)CC2)ccc1F,MOCMOISNYCBKRA-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:4:200811:223279,CN1CCN(C(=O)COc2ccc(C(C)(C)C)cc2-c2cnc(C3CCCN3)nc2)CC1,GGBVYHYJMLZOQO-UHFFFAOYSA-N
-rxn:4:200811:226658,CN1CCN(C(=O)COc2ccc(C(C)(C)C)cc2-c2ccc(N3CCCC3)nc2F)CC1,XDHVPNAMLNHYMP-UHFFFAOYSA-N
-rxn:4:200817:222787,CC(c1ccccc1-c1ccc(NC(=O)OC(C)(C)C)cc1Cl)N1CCN(C(=O)OC(C)(C)C)CC1,FMQQDBLJSMMLDO-UHFFFAOYSA-N
-rxn:4:200817:223179,CONC(=O)c1cc(-c2ccccc2C(C)N2CCN(C(=O)OC(C)(C)C)CC2)ccc1F,IFSIYSYYQGSDSJ-UHFFFAOYSA-N
-rxn:4:200817:223533,CC(c1ccccc1-c1ccc(CN2CCN(C(=O)OC(C)(C)C)CC2)cc1F)N1CCN(C(=O)OC(C)(C)C)CC1,YWNHZYBJKBNQRS-UHFFFAOYSA-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:4:200820:223179,CONC(=O)c1cc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)[C@H](C)C3)cc2F)ccc1F,SGJDHJZNGYTVKM-MRXNPFEDSA-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:4:200824:222787,Cc1ccc(-c2ccc(NC(=O)OC(C)(C)C)cc2Cl)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,LQNCZPYTWMDQHR-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:4:200825:222466,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1cc(C2CCCCC2)nc(C2CCNCC2)c1,KUZPZFFDEQSYLZ-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:4:200835:223173,O=C1N=C(N2CCOCC2)SC1=Cc1cc(-c2ccc3c(c2)C(O)CS3(=O)=O)ccc1OCc1ccc(Cl)cc1,QCJOBNFONIKFDN-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:4:200837:223179,CONC(=O)c1cc(-c2ccccc2CCC(=O)N2CCCN(C3CCSC3)CC2)ccc1F,LXLUUCXJYHOFNC-UHFFFAOYSA-N
-rxn:4:200839:223279,COc1c(-c2cnc(C3CCCN3)nc2)cccc1N1CCN(C(=O)OC(C)(C)C)C(C)C1,ILVHMHWWFVNOAT-UHFFFAOYSA-N
-rxn:4:200839:226844,COc1c(-c2ccnc(C(=O)C(F)(F)F)c2)cccc1N1CCN(C(=O)OC(C)(C)C)C(C)C1,NWMASWIDQUVZIW-UHFFFAOYSA-N
-rxn:4:200840:223279,COC(=O)C1CCCN(Cc2ccc(-c3cnc(C4CCCN4)nc3)cc2N2CCCC2)C1,YNQAFQBXQCRSBC-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:4:200844:223279,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(C4CCCN4)nc3)cc2C2CC2)CC1,TVBQCLXQRNQDLF-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:4:200848:223279,CC(C)(C)OC(=O)N1CCN(c2ccc(C3CC3)c(-c3cnc(C4CCCN4)nc3)c2)CC1,IXJSIJZWTDVJIM-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:4:200869:223179,CONC(=O)c1cc(-c2cc(C)cc(CN3CCN(C(=O)OC(C)(C)C)C(C)C3)c2)ccc1F,OOKYLKMIUNUDNR-UHFFFAOYSA-N
-rxn:4:200870:223179,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:4:200875:222893,CCOC(=O)c1n[nH]c2cc(-c3cc(OC)c(S(=O)(=O)N4CCN(c5ccc(C)c(Cl)c5)CC4)cc3OC)ccc12,NNEAERHWYJEKKJ-UHFFFAOYSA-N
-rxn:4:200875:223179,CONC(=O)c1cc(-c2cc(OC)c(S(=O)(=O)N3CCN(c4ccc(C)c(Cl)c4)CC3)cc2OC)ccc1F,BORLUHFGFVLTHF-UHFFFAOYSA-N
-rxn:4:200879:226844,COc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1CN1CCCC(C(=O)N2CCCCC2)C1,WTKLBHLOQWLQRF-UHFFFAOYSA-N
-rxn:4:200880:227253,CCCOc1ccc(Cl)cc1-c1ccc(CC(=O)N2CCC(N3CCC(OC)CC3)CC2)cc1,HAXISFIHPVPBCS-UHFFFAOYSA-N
-rxn:4:200881:226844,O=C(CCc1ccccc1-c1ccnc(C(=O)C(F)(F)F)c1)N1CCCN(C2CCSCC2)CC1,BSECMVKCVWAEHS-UHFFFAOYSA-N
-rxn:4:200882:223219,CC(C)NCc1cncc(-c2cccc(CN3CC4(CCN(C(=O)OC(C)(C)C)CC4)C3)c2)c1,YOXYKYDIJNSRNF-UHFFFAOYSA-N
-rxn:4:200883:228013,CC(C)(C)OC(=O)N1CCC2(CC1)CN(Cc1ccccc1-c1ccc(F)c(C3CC3)c1)C2,BWLZNIDDTKIBRD-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:4:200885:226844,COC(=O)C1CCN(Cc2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2N2CCCCC2)CC1,HMGSVVFWWMJPIO-UHFFFAOYSA-N
-rxn:4:200890:225213,CCOc1ccc(-c2ccc(N3CCN(C)CC3)cc2Cl)cc1S(=O)(=O)N1CCN(c2ccc(C)c(C)c2)CC1,BQCCDPIPYMKMHX-UHFFFAOYSA-N
-rxn:4:200896:223766,COc1cc(OC)c(-c2cc3cc(C#N)ccc3n2C(=O)OC(C)(C)C)cc1CN1CCN(c2cc(C)ccc2C)CC1,IDEFIRPZAIURGI-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:4:201031:223179,CCCN1C(=O)C(=C2SC(=S)N(CCOC)C2=O)c2cc(-c3ccc(F)c(C(=O)NOC)c3)ccc21,MVOCCUJZQNNUSR-UHFFFAOYSA-N
-rxn:4:201031:223279,CCCN1C(=O)C(=C2SC(=S)N(CCOC)C2=O)c2cc(-c3cnc(C4CCCN4)nc3)ccc21,LFBLYTMFJZIGHI-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:4:201034:224485,CC(C)N(C(=O)CN1C(=O)C(=O)c2cc(-c3ccn([Si](C(C)C)(C(C)C)C(C)C)c3)ccc21)c1ccccc1,KNEORKSEIWUQSY-UHFFFAOYSA-N
-rxn:4:201057:223279,CCCCCN1C(=O)C(=C2C(=O)N(CC)c3ccc(-c4cnc(C5CCCN5)nc4)cc32)SC1=S,NRYKSFBLPOEWKZ-UHFFFAOYSA-N
-rxn:4:201071:223179,CCOC(=O)C1=C(C)N=C2SCCC(=O)N2C1c1cc(-c2ccc(F)c(C(=O)NOC)c2)ccc1OC,KYHPTZGLWMMIOS-UHFFFAOYSA-N
-rxn:4:201071:223279,CCOC(=O)C1=C(C)N=C2SCCC(=O)N2C1c1cc(-c2cnc(C3CCCN3)nc2)ccc1OC,GMXQWFSRDYQJPM-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:4:201089:223179,CONC(=O)c1cc(-c2ccc3sc(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)cc3c2)ccc1F,NGHBRTDQZUHNBW-UHFFFAOYSA-N
-rxn:4:201096:223279,CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N1CCc2c(-c3cnc(C4CCCN4)nc3)cccc21,PXUDZFFFMRNLNP-IAXKEJLGSA-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:4:201097:223179,CONC(=O)c1cc(-c2ccc3c(c2)CN(C(=O)C2CCN(C(=O)OC(C)(C)C)C2)C3)ccc1F,NQPLNJCIFIXEHL-UHFFFAOYSA-N
-rxn:4:201098:223179,CCCCN1C(=O)C(=C2SC(=S)N(CC(C)C)C2=O)c2cc(-c3ccc(F)c(C(=O)NOC)c3)ccc21,ZMHHQZOXTXGQLK-UHFFFAOYSA-N
-rxn:4:201098:226531,CCCCN1C(=O)C(=C2SC(=S)N(CC(C)C)C2=O)c2cc(-c3ccc(Cl)c(C(=O)OCC)c3)ccc21,RSEUMTNZGPFRPK-UHFFFAOYSA-N
-rxn:4:201099:228555,COCc1ccccc1-c1cccc(C2C(C(=O)OCC(C)C)=C(C)N=C3SC(C)C(=O)N32)c1,VBTLNWOIPNZHBW-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:4:201103:223179,CONC(=O)c1cc(-c2ccccc2CCC(=O)N2CC(N3C(=O)C4CC=CCC4C3=O)C2)ccc1F,RFOLTKOVUZYJLG-UHFFFAOYSA-N
-rxn:4:201109:223279,CC(C)(C)OC(=O)N1CCC(CN2C(=O)COc3ccc(-c4cnc(C5CCCN5)nc4)cc32)C1,POSGYEODEXBCPR-UHFFFAOYSA-N
-rxn:4:201113:226844,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:4:201121:223179,CONC(=O)c1cc(-c2ccccc2C2C(C(=O)OCc3ccccc3)=C(C)N=C3SCCC(=O)N32)ccc1F,JFDZVDPIOXKEGL-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:4:201125:224376,CN1CCN(S(=O)(=O)c2cccc(-c3ccc(CSc4nc(=O)n(CC5CCCO5)c5c4CCCC5)cc3)c2)CC1,LGFSQZPEPOTLFP-UHFFFAOYSA-N
-rxn:4:201126:223279,O=C1CCC(=O)N1C1CC2CCC(C1)N2C(=O)CCc1ccccc1-c1cnc(C2CCCN2)nc1,FBARQAGJIVXVNH-UHFFFAOYSA-N
-rxn:4:201133:223279,CC(C)(C)OC(=O)N1CCC(CN2Cc3cc(-c4cnc(C5CCCN5)nc4)ccc3C2=O)CC1,CFJJAXQCRLKLKQ-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:4:201184:223179,CONC(=O)c1cc(-c2ccc3oc4c(c(=O)c3c2)C(c2ccccc2)N(CCCN2CCOCC2)C4=O)ccc1F,XELVEPOFTIAJFH-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:4:201190:227663,Cc1ccc2oc3c(c(=O)c2c1)C(c1cccc(-c2ccc(C)c(C(F)(F)F)c2)c1)N(CCCN1CCOCC1)C3=O,NXYSDFXSXFQFHM-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:4:201306:223520,CCOC(=O)C(C)n1cc(-c2ccc(C(C)N3CCN(C(=O)OC(C)(C)C)CC3)cc2)cn1,GOXQJJMYBOXKTL-UHFFFAOYSA-N
-rxn:4:201746:223534,CC(C)(C)OC(=O)N1CCC(Oc2cc(-c3cccnc3OC3CCN(S(=O)(=O)C4CC4)C3)c(F)cn2)CC1,IEOJLHLDMABDEG-UHFFFAOYSA-N
-rxn:4:201760:225217,CC1CCCN(c2cc(F)c(-c3ccc(CC(=O)N4CC(N5C(=O)CSC5=O)C4)cc3)cn2)C1,APVYAKKNEAATIN-UHFFFAOYSA-N
-rxn:4:201817:224286,COC(=O)c1nc(N2CCC(C(F)(F)F)CC2)ccc1-c1ccc(OCCN2CCOCC2)c(Cl)c1,HUDTUSAYCHPHAW-UHFFFAOYSA-N
-rxn:4:201856:223179,CONC(=O)c1cc(-c2ccccc2C(=O)N2CC(CN3C(=O)CCC3=O)C2)ccc1F,FRBQYHZWWDGZRX-UHFFFAOYSA-N
-rxn:4:201907:223279,O=C(Cc1ccc(-c2cnc(C3CCCN3)nc2)cc1)N1CCC(N2C(=O)COC2=O)C1,HYNYXSDAZDIGGE-UHFFFAOYSA-N
-rxn:4:201925:223774,COc1cccc2c1cc(-c1cccc(C3CCCN3C(=O)OC(C)(C)C)n1)n2C(=O)OC(C)(C)C,DODJELAMWGLDTN-UHFFFAOYSA-N
-rxn:4:201929:222864,CC(C)NCCOc1ccc(-c2nc(C3CCCN(C(=O)OC(C)(C)C)C3)cs2)cc1F,IRTDYPSOQYOVLT-UHFFFAOYSA-N
-rxn:4:201943:222920,CCOC(=O)c1cc(-c2ccc(S(=O)(=O)NC3CC3)cc2C)ccc1N1CCN(C)CC1,MHUVGYLVOROZAK-UHFFFAOYSA-N
-rxn:4:201950:222700,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3ccc(C(F)(F)F)cc3C3CCCNC3)cn2)C1,FYWSNFGVLPMGTK-UHFFFAOYSA-N
-rxn:4:201950:225059,CC1CCN(c2ccc(-c3ccc(C4CCN(C(=O)OC(C)(C)C)C4)nc3)c(Cl)c2)CC1,HZUWLWBXYJHBRM-UHFFFAOYSA-N
-rxn:4:201953:224101,COC(=O)c1cc(-c2cccc(OCCN3CCC(C)CC3)c2)ccc1CN1CCN(C)CC1,IUWKGAQTGRGROA-UHFFFAOYSA-N
-rxn:4:201975:223835,Cc1cc(F)c(-c2ccc(S(=O)(=O)N3CCN(C(=O)c4ccco4)CC3)cc2)cc1S(=O)(=O)N1CCC(C)CC1,XVEXLTLQAHWJHT-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:4:202004:225591,CCOc1ccc(-c2cc(CN3CCCC3)ccc2F)cc1S(=O)(=O)N1CCN(C)CC1,RFWHDPPXIIUPEN-UHFFFAOYSA-N
-rxn:4:202018:223813,CC(C)(C)OC(=O)c1nc(N2CCOCC2)ccc1-c1ccc(CN2CCC3(CC2)OCCO3)c(F)c1,GSKDHMDRYNSXFS-UHFFFAOYSA-N
-rxn:4:202068:223179,CONC(=O)c1cc(-c2cc(OC)c(S(=O)(=O)N3CCN(C)CC3)cc2OC)ccc1F,IZPIZURVCFWKFR-UHFFFAOYSA-N
-rxn:4:202069:223179,CONC(=O)c1cc(-c2cncc(C(=O)N3CCC(S(=O)(=O)C(C)(C)C)C3)c2)ccc1F,XHPMPOMNRITAKA-UHFFFAOYSA-N
-rxn:4:202069:226777,Cc1cc(-c2cncc(C(=O)N3CCC(S(=O)(=O)C(C)(C)C)C3)c2)cc(OC(F)F)c1F,AIAIOERWMSLSCO-UHFFFAOYSA-N
-rxn:4:202069:226842,CC(C)(C)S(=O)(=O)C1CCN(C(=O)c2cncc(-c3cncc(C(=O)C(F)(F)F)c3)c2)C1,IHSVLEZBSJNJMD-UHFFFAOYSA-N
-rxn:4:202070:223773,COc1cccc2cc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4=O)cc3)n(C(=O)OC(C)(C)C)c12,LPEUEHKNGYNVMI-UHFFFAOYSA-N
-rxn:4:202071:223179,CONC(=O)c1cc(-c2cnccc2OC2CCN(C(=O)C3CCOCC3)C2)ccc1F,ULLKXLUZDYBMLT-UHFFFAOYSA-N
-rxn:4:202072:222466,CC(C)(C)OC(=O)N1CCN(c2cccc(-c3cc(C4CCCCC4)nc(C4CCNCC4)c3)c2)C(=O)C1,CJIRNIIVQQJEEZ-UHFFFAOYSA-N
-rxn:4:202073:223179,CONC(=O)c1cc(-c2ccccc2N2CCN(C(=O)OC(C)(C)C)CC2=O)ccc1F,RSAZGKJEKRKSAI-UHFFFAOYSA-N
-rxn:4:202098:223790,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3cncc(C4CCCN4C(=O)OC(C)(C)C)c3)nc2)CC1,VDAJMIQISSFBIO-UHFFFAOYSA-N
-rxn:4:202101:223179,CONC(=O)c1cc(-c2csc(C3CCN(C(=O)OC(C)(C)C)CC3C)n2)ccc1F,SOXSGFLVLYDHEG-UHFFFAOYSA-N
-rxn:4:202101:226773,COC(=O)c1c(Cl)ccc(-c2csc(C3CCN(C(=O)OC(C)(C)C)CC3C)n2)c1F,FIEOTCHLWGVDJP-UHFFFAOYSA-N
-rxn:4:202103:223650,CC(C)(C)OC(=O)N1CCC(c2cnccc2-c2ccccc2N2CCN(C(=O)OC(C)(C)C)CC2)CC1,MOWDFQFCLQTRCX-UHFFFAOYSA-N
-rxn:4:202103:224078,CC(C)(C)OC(=O)N1CCC(c2cnccc2-c2cccc3c2ccn3[Si](C)(C)C(C)(C)C)CC1,DJWQUOBNDALXFU-UHFFFAOYSA-N
-rxn:4:202106:224379,CN1CCN(S(=O)(=O)c2ccccc2-c2cc(C3CCCN(C(=O)OC(C)(C)C)C3)ccn2)CC1,IZOUFZXIXYWRHL-UHFFFAOYSA-N
-rxn:4:202116:224625,CC(C)Oc1cc(-c2ccc(C3CCCN(C(=O)OC(C)(C)C)C3)nc2)cc(Cl)c1OC(C)C,BJUNXWHLRVBDPK-UHFFFAOYSA-N
-rxn:4:202121:222792,CC(C)(C)OC(=O)Nc1ccc(F)c(-c2cncc(C3CCN(C(=O)OC(C)(C)C)CC3)c2)c1,FFZXHCMIULAIBM-UHFFFAOYSA-N
-rxn:4:202133:225170,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)ccc2-c2cc(F)ccc2CN2CCOCC2)CC1,ZUWUPPSQNYOYMZ-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:4:202143:223279,COc1cc(C)c(-c2cnc(C3CCCN3)nc2)cc1S(=O)(=O)N1CCN(C(C)=O)CC1,SFAAVXGIVXYHMZ-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:4:202147:226844,CC(C)(C)OC(=O)c1nc(N2CCC(F)(F)CC2)ccc1-c1ccnc(C(=O)C(F)(F)F)c1,IZXGZVLVEAGBIX-UHFFFAOYSA-N
-rxn:4:202162:224648,CC(C)Oc1cccc(-c2ccc(O[Si](C)(C)C(C)(C)C)cc2Cl)c1CN1CCN(C)CC1,PXHZGJAPXRKTLI-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:4:202167:223179,CONC(=O)c1cc(-c2ccc(CN3CCCN(S(=O)(=O)C4CC4)CC3)cc2)ccc1F,XHFQKCFMQSEWGW-UHFFFAOYSA-N
-rxn:4:202195:223179,CONC(=O)c1cc(-c2cccnc2OC2CCN(C(=O)C3CC=CCC3)CC2)ccc1F,HZPUMLHFWOJHLB-UHFFFAOYSA-N
-rxn:4:202195:223279,O=C(C1CC=CCC1)N1CCC(Oc2ncccc2-c2cnc(C3CCCN3)nc2)CC1,HQUCJNZEGBCYSD-UHFFFAOYSA-N
-rxn:4:202195:226470,CCOC(=O)CCc1cc(-c2cccnc2OC2CCN(C(=O)C3CC=CCC3)CC2)cs1,NJTHZXOMPAFVNF-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:4:202204:223279,O=C(C1CC(=O)N(c2cccc(-c3cnc(C4CCCN4)nc3)c2)C1)N1CCC(CF)CC1,KTPQGXQTTXWKGR-UHFFFAOYSA-N
-rxn:4:202207:224761,COc1ccccc1N1CCN(S(=O)(=O)c2ccc(-c3cccc(S(=O)(=O)N4CCCCC4)c3)cc2)CC1,RLPYLPJGFFQSRJ-UHFFFAOYSA-N
-rxn:4:202208:222788,COc1ccc(-c2ccc(NC(=O)OC(C)(C)C)cc2F)cc1S(=O)(=O)N1CCN(c2ccccc2)CC1,QUVGLVVKRPASAB-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:4:202225:223179,CONC(=O)c1cc(-c2cccc(C3CCN(C(=O)OC(C)(C)C)CC3C)n2)ccc1F,VFWYJAVQKQISEI-UHFFFAOYSA-N
-rxn:4:202226:224273,Cc1cc(C2CCCN(C(=O)OC(C)(C)C)C2)cc(-c2cc3ncccc3n2C(=O)OC(C)(C)C)n1,FZONLWHHXLNGAJ-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:4:202227:224561,Cc1cc(-c2cccc(O[Si](C)(C)C(C)(C)C)c2C)cc(C2CCCN(C(=O)OC(C)(C)C)C2)n1,HSARSIVFOKYMJQ-UHFFFAOYSA-N
-rxn:4:202227:225233,Cc1cc(-c2cnc(Cl)c(N3CCCC(C)C3)c2)cc(C2CCCN(C(=O)OC(C)(C)C)C2)n1,NIFYBRCGSOVEPO-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:4:202231:223179,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:4:202233:226844,CC1CCCN(c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)c(C(=O)OC(C)(C)C)n2)C1,YZPBMSTVVHVICP-UHFFFAOYSA-N
-rxn:4:202237:223179,CONC(=O)c1cc(-c2ccc(C3CCN(C(=O)OC(C)(C)C)CC3C)nc2)ccc1F,DUPVHCUVXCVSGI-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:4:202268:223179,CONC(=O)c1cc(-c2ccccc2CN2CCOC(C(=O)N3CCCCC3)C2)ccc1F,SFULOBITUVVWTA-UHFFFAOYSA-N
-rxn:4:202270:223179,CONC(=O)c1cc(-c2cccc(CN3CCCC(C(=O)N4CCOCC4)C3)c2)ccc1F,IAVORSFYCOXWJE-UHFFFAOYSA-N
-rxn:4:202271:223279,O=C(C1CCCN(Cc2ccccc2-c2cnc(C3CCCN3)nc2)C1)N1CCOCC1,TVLWRCUPEHLWEA-UHFFFAOYSA-N
-rxn:4:202272:223279,O=C(C1CCCN(Cc2ccc(-c3cnc(C4CCCN4)nc3)cc2)C1)N1CCSCC1,XWEZPMRGSOOSNT-UHFFFAOYSA-N
-rxn:4:202273:223179,CONC(=O)c1cc(-c2cccc(CN3CCCC(C(=O)N4CCSCC4)C3)c2)ccc1F,GWOOPEMGWKSANO-UHFFFAOYSA-N
-rxn:4:202273:223279,O=C(C1CCCN(Cc2cccc(-c3cnc(C4CCCN4)nc3)c2)C1)N1CCSCC1,OWPPIGSSYKEMCW-UHFFFAOYSA-N
-rxn:4:202275:223279,COC1CCN(C2CCN(C(=O)c3cc(-c4cnc(C5CCCN5)nc4)ccc3Cl)CC2)C1,ZCFMLLPRTGLMNA-UHFFFAOYSA-N
-rxn:4:202276:223179,CONC(=O)c1cc(-c2ccc(CN3CCCC(C(F)(F)F)C3)c(N3CCCC3)c2)ccc1F,FTYZGHFGDPASOU-UHFFFAOYSA-N
-rxn:4:202276:223279,FC(F)(F)C1CCCN(Cc2ccc(-c3cnc(C4CCCN4)nc3)cc2N2CCCC2)C1,NANZHHUQFBNZHK-UHFFFAOYSA-N
-rxn:4:202277:223279,FC(F)(F)C1CCN(Cc2ccc(-c3cnc(C4CCCN4)nc3)cc2N2CCCC2)CC1,NKUHELXRNAAYIT-UHFFFAOYSA-N
-rxn:4:202284:222580,COc1ccc(-c2ccc(S(=O)(=O)NC3CC3)c3ccccc23)cc1CN1CCC(N2CCCC2)CC1,PBRFBYMHKCUIGN-UHFFFAOYSA-N
-rxn:4:202284:223076,COc1ccc(-c2cccc(S(=O)(=O)NC3CC3)c2)cc1CN1CCC(N2CCCC2)CC1,JDTQHCXZKDVLRY-UHFFFAOYSA-N
-rxn:4:202287:223179,CONC(=O)c1cc(-c2ccccc2C(=O)N2CCCSCC2CN2CCOCC2)ccc1F,VVEJSNJPPNHNNF-UHFFFAOYSA-N
-rxn:4:202288:223279,O=C(c1cccc(-c2cnc(C3CCCN3)nc2)c1)N1CCCSCC1CN1CCOCC1,LYJBCNNLUXASQQ-UHFFFAOYSA-N
-rxn:4:202290:227992,COC1CCN(C2CCN(S(=O)(=O)c3ccc(-c4ccc(C5COC5)cc4)cc3)CC2)C1,NIHGTZYJPNSIPF-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:4:202293:224486,CC(C)N(C(=O)c1cccc(-c2ccc(C3CC(C(C)(C)C)=NN3S(=O)(=O)c3ccccc3)cc2)c1)C(C)C,YDSPEZLPCLRCST-UHFFFAOYSA-N
-rxn:4:202308:223279,Cc1c(-c2cnc(C3CCCN3)nc2)cccc1N1CCN(C(=O)OC(C)(C)C)C(C)C1,RWTSKEURZLBCDG-UHFFFAOYSA-N
-rxn:4:202309:223279,CN(Cc1ccc(-c2cnc(C3CCCN3)nc2)cc1N1CCOCC1)C1CCOCC1,OIAPBCUIZGVSIA-UHFFFAOYSA-N
-rxn:4:202310:226645,O=S(=O)(c1ccc(-c2ccnc(N3CCOCC3)c2)cc1)N1CCCSCC1CN1CCOCC1,GCTWTIOXTDELAU-UHFFFAOYSA-N
-rxn:4:202311:223179,CONC(=O)c1cc(-c2ccc(CN3CCC(C(=O)N4CCC(F)(F)CC4)CC3)cc2)ccc1F,SVMKWMGLWLHIAB-UHFFFAOYSA-N
-rxn:4:202312:223279,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:4:202313:223279,O=C(C1CCN(Cc2ccccc2-c2cnc(C3CCCN3)nc2)CC1)N1CCC(F)(F)CC1,NUWLVYUVSHBKQB-UHFFFAOYSA-N
-rxn:4:202315:225641,Cc1cc(OC2CCN(S(=O)(=O)c3ccccc3-c3ccnc(N4CCCC(C)C4)c3)CC2)cc(=O)n1C,YSFSMXSBMXRHTC-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:4:202327:226844,CN(Cc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1N1CCOCC1)C1CCCCC1,HVHSSDJRFWFBRX-UHFFFAOYSA-N
-rxn:4:202328:227992,COC1CCN(C2CCN(S(=O)(=O)c3ccccc3-c3ccc(C4COC4)cc3)CC2)CC1,RRTSVSYXKCUJRB-UHFFFAOYSA-N
-rxn:4:202328:228174,COC1CCN(C2CCN(S(=O)(=O)c3ccccc3-c3ccc(OC(C)=O)cc3)CC2)CC1,KJAMPCJOMXBXOX-UHFFFAOYSA-N
-rxn:4:202328:228520,COC1CCN(C2CCN(S(=O)(=O)c3ccccc3-c3cc(C)c(C)cc3C)CC2)CC1,OKHKSAKMOIODOX-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:4:202340:223179,CONC(=O)c1cc(-c2ccc(C(=O)N3CCC4(CC3)OCCN4S(=O)(=O)c3ccc(F)c(C)c3)o2)ccc1F,VWFHBBBZVNAATH-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:4:202346:223279,COc1ccc(C(=O)N2C(=S)C(c3ccc(-c4cnc(C5CCCN5)nc4)cc3)=NC23CCCCCC3)cc1,CYIMCIFZLHVKQP-UHFFFAOYSA-N
-rxn:4:202348:223279,Cc1ccc(S(=O)(=O)N2CCOC23CCN(C(=O)c2ccccc2-c2cnc(C4CCCN4)nc2)CC3)cc1,BIFMWBSAWWQEOQ-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:4:202352:223279,Cc1cc(S(=O)(=O)N2CCOC23CCN(C(=O)c2ccccc2-c2cnc(C4CCCN4)nc2)CC3)ccc1F,GQNMVZQCVBYROE-UHFFFAOYSA-N
-rxn:4:202355:223161,CCc1ccccc1N1CCN(S(=O)(=O)c2c(C)cc(C)c(-c3ccc(C(=O)NC)cc3OC)c2C)CC1,TVMWCXHMPPQDAF-UHFFFAOYSA-N
-rxn:4:202437:223790,COCCn1c(=NC(C)=O)sc2cc(-c3cncc(C4CCCN4C(=O)OC(C)(C)C)c3)ccc21,MPEBJDGHWFKTAS-UHFFFAOYSA-N
-rxn:4:202459:223574,CC(C)(C)OC(=O)N1CCN(Cc2cccc(-c3cnc4c(c3)CCN4C(=O)OCc3ccccc3)c2)CC1,YPRKYSKXLNXOPS-UHFFFAOYSA-N
-rxn:4:202461:222797,Cc1ccc(S(=O)(=O)NC(C)(C)C)c(-c2ccc3c(c2)c(C(F)(F)F)nn3C(=O)OC(C)(C)C)c1,JOGPIWBMOKEHCK-UHFFFAOYSA-N
-rxn:4:202526:223179,COCC(=O)N=C1SC2CS(=O)(=O)CC2N1c1ccc(-c2ccc(F)c(C(=O)NOC)c2)cc1,IDGKHOLGVFAMQD-UHFFFAOYSA-N
-rxn:4:202526:226844,COCC(=O)N=C1SC2CS(=O)(=O)CC2N1c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1,GEVYEMGXZFLALH-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:4:202559:223179,CONC(=O)c1cc(-c2cc(C#N)c3c(c2)C(C)(C)CN3C(=O)OC(C)(C)C)ccc1F,FDRSEEFFUQIJEI-UHFFFAOYSA-N
-rxn:4:202564:222922,CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc2c(c1)C(=O)N(C1CN(C(=O)OC(C)(C)C)C1)C2=O,CSNPZHLECOWOJW-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:4:202564:223279,CC(C)(C)OC(=O)N1CC(N2C(=O)c3ccc(-c4cnc(C5CCCN5)nc4)cc3C2=O)C1,JSYZVWJEBQRZQV-UHFFFAOYSA-N
-rxn:4:202569:225504,CCCCn1cnc2cc(-c3ccc(N4C(=NC(=O)CCC)SC5CS(=O)(=O)CC54)c(F)c3)ccc21,DJMVILLNRKVPPG-UHFFFAOYSA-N
-rxn:4:202593:224624,CC(C)(C)COC(=O)c1ccc(Cl)cc1-c1ccc2ccc(C3CN(C(=O)OC(C)(C)C)C3)nc2c1,RQBPARALBNOYQK-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:4:202598:223279,CCCCN1C(=O)C(=C2SC(=S)N(CC)C2=O)c2cc(-c3cnc(C4CCCN4)nc3)ccc21,JAEZTRWBVUZECJ-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:4:202602:223279,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:4:202606:228784,CCOC(=O)C1=C(C)N=C2SCCC(=O)N2C1c1ccccc1-c1ccc(F)c(OC)c1,BMPPNFBGUWCSOF-UHFFFAOYSA-N
-rxn:4:202656:223935,CC(C)(C)OC(=O)N1CCN(c2cccc3sc(-c4cc5cccc(F)c5n4C(=O)OC(C)(C)C)cc23)CC1,CCCRUYZKNBGIFU-UHFFFAOYSA-N
-rxn:4:202660:225829,CCCN1C(=O)C(=C2SC(=S)N(CC(C)C)C2=O)c2cc(-c3cnc(N4CCC(C)CC4)nc3)ccc21,VABWSSXMXBLLRH-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:4:202674:223572,CC1CCN(S(=O)(=O)c2ccc(-c3cnc4c(ccn4[Si](C(C)C)(C(C)C)C(C)C)c3)c3ccccc23)CC1,SYDHWBUSLABRSE-UHFFFAOYSA-N
-rxn:4:202683:223179,CONC(=O)c1cc(-c2ccc(CC(=O)N3CC(N4CC5CCCC5C4)C3)cc2)ccc1F,AAYQWTFTCWBXDW-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:4:202686:223179,CCOC(=O)N1CCC(N2Cc3cc(-c4ccc(F)c(C(=O)NOC)c4)ccc3OCC2=O)CC1,PCCPAODZEYPGRC-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:4:202694:223279,CCN1C(=O)C(=C2SC(=S)N(CCc3ccccc3)C2=O)c2cc(-c3cnc(C4CCCN4)nc3)ccc21,LDVSRJPJZFTFKB-UHFFFAOYSA-N
-rxn:4:202703:223279,CCCN1C(=O)C(=C2SC(=S)N(CC3CCCO3)C2=O)c2cc(-c3cnc(C4CCCN4)nc3)ccc21,LFTWUXLEMPGTHI-UHFFFAOYSA-N
-rxn:4:202711:224076,C[C@H]1CC[C@H](c2ccc3sc(-c4ccc5c(ccn5[Si](C)(C)C(C)(C)C)c4)nc3c2)N(C(=O)OC(C)(C)C)C1,GMFNQFYQSONDMP-HFZDXXHNSA-N
-rxn:4:202711:225281,C[C@H]1CC[C@H](c2ccc3sc(-c4cc(Cl)nc(C(=O)OC(C)(C)C)c4)nc3c2)N(C(=O)OC(C)(C)C)C1,RILLGJYUVQMBNJ-HRAATJIYSA-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:4:202713:223279,CC(C)(C)OC(=O)N1CCC(N2Cc3cc(-c4cnc(C5CCCN5)nc4)ccc3C2=O)CC1,HCBHVJUNHGXUDU-UHFFFAOYSA-N
-rxn:4:202714:223590,Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1-c1ccc2cncc(C3CCCN(C(=O)OC(C)(C)C)C3)c2c1,KULUSLPAJUTFCL-UHFFFAOYSA-N
-rxn:4:202726:223279,CC(C)(C)OC(=O)N1CCC(N2CCc3cc(-c4cnc(C5CCCN5)nc4)ccc32)CC1,QUNLIWHHZRUWKM-UHFFFAOYSA-N
-rxn:4:202726:224552,CC(C)(C)OC(=O)N1CCC(N2CCc3cc(-c4cc(F)cc(COC5CCCCC5)c4)ccc32)CC1,TXSMGTBOPBMIIQ-UHFFFAOYSA-N
-rxn:4:202726:224811,CC(C)(C)OC(=O)N1CCC(N2CCc3cc(-c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)ccc32)CC1,UITKWSKKWUPRBT-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:4:202729:227187,CCCCN1C(=O)C(=C2SC(=S)N(C3CCCC3)C2=O)c2cc(-c3cccc4c3CN(C)C4=O)ccc21,BVMZZGVBTJFGDB-UHFFFAOYSA-N
-rxn:4:202731:223179,CONC(=O)c1cc(-c2cccnc2OC2CCN(C(=O)C3Oc4ccccc4OC3C)CC2)ccc1F,RKLHPHNZWQAQLK-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:4:202740:223179,CONC(=O)c1cc(-c2ccc(OC)cc2C(=O)N2CCC(N3CCc4sccc4C3)CC2)ccc1F,LPXPDBFEZDFMHF-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:4:202755:226844,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:4:202757:223569,CC(C)c1ccc(N2C(=O)N(Cc3cccc(-c4cnc5c(ccn5[Si](C(C)C)(C(C)C)C(C)C)c4F)c3)c3ccccc3S2(=O)=O)cc1,QLWOQQOTEATWJT-UHFFFAOYSA-N
-rxn:4:202774:222607,COC(=O)c1ccc(C2c3c(oc4ccc(-c5ccc(NC6CCN(S(C)(=O)=O)CC6)cc5)cc4c3=O)C(=O)N2c2nccs2)cc1,GZZDBOOYNVOPKS-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:4:202796:223279,CC(=O)OCc1c(-c2cnc(C3CCCN3)nc2)cccc1N1CCn2c(cc3c2CC(C)(C)C3)C1=O,DGLJGCMRPVCJJI-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:4:202800:223179,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:4:202800:228990,CC#Cc1cc2c(c(F)c1-c1ccc(CCC)s1)OC[C@H]1CN(C(=O)OC(C)(C)C)CCN1C2,FWIFNNNBJCVCRX-HXUWFJFHSA-N
-rxn:4:202807:224126,CCN1CCN(C(C)c2cccc(-c3ccc(Sc4c(C)nn(C(=O)C56CC7CC(CC(C7)C5)C6)c4C)cc3)c2)CC1,XCLLPQSQZIBGRH-UHFFFAOYSA-N
-rxn:4:202807:226233,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2ccc(OCCN(C)C)cc2)cc1,JAURXBLTSFELBN-UHFFFAOYSA-N
-rxn:4:202840:223497,CC(c1ccc(-c2ccc(C(=O)CC#N)nc2)cc1)N1CCC(O[Si](C)(C)C(C)(C)C)CC1,NJUWBTIVPBZLSX-UHFFFAOYSA-N
-rxn:4:203134:223635,COC(=O)Cc1nn(C)c(C)c1-c1ccc(C2CCN(C(=O)OC(C)(C)C)CC2)cc1,MRBFJPQZWDZGEB-UHFFFAOYSA-N
-rxn:4:203140:223606,CCOC(=O)c1nc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c(F)c2)n(C)c1C,RIDDHXHOQZECLA-UHFFFAOYSA-N
-rxn:4:203219:223918,CN(C(=O)c1ccc(F)c(-c2ccnc(C(=O)ON3C(=O)CCC3=O)c2)c1)C1CCCCC1,SQSSADCPWUOUCY-UHFFFAOYSA-N
-rxn:4:203574:224015,Cc1cc(F)c(-c2cccc(C(C#N)N3CCOCC3)c2)cc1S(=O)(=O)N1CCOCC1,BTZQPNGOGHHRCX-UHFFFAOYSA-N
-rxn:4:203702:222819,O=C(Nc1ccc(-c2cnc(C(=O)N3CCCC(C(F)(F)F)C3)c(Cl)c2)cn1)N1CCOCC1,FDNZOGJCXRZLDW-UHFFFAOYSA-N
-rxn:4:203709:224336,O=C(c1ccc(-c2ccc(N3CCCCC3)cc2C(F)(F)F)o1)N1CCC(N2C(=O)COC2=O)C1,FJPKPUBYLPZVEW-UHFFFAOYSA-N
-rxn:4:203756:222826,O=S(=O)(c1cccc(-c2cncc(S(=O)(=O)N3CCCC(C(F)(F)F)C3)c2)c1)N1CCNCC1,MXFAMFBTCUCLHV-UHFFFAOYSA-N
-rxn:4:203759:223294,O=[N+]([O-])c1cc(F)c(-c2csc(N3CCNCC3)n2)cc1N1CCCC(C(F)(F)F)C1,DCKDPZKHUWPQNE-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:4:203809:223644,CCOC(=O)C1CCCN(C(=O)c2ccc(-c3cncc(CC(=O)N4CCCCC4C)c3)cc2)C1,HVCLRZJMCVVDIW-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:4:203840:224719,CC(C)c1nn(C(=O)OC(C)(C)C)cc1-c1ccc(C(=O)CC2C(=O)N(C)C(=O)N(C)C2=O)cc1,OJVAOUKUKFEOBM-UHFFFAOYSA-N
-rxn:4:203878:223831,COc1ccc(-c2ccc([N+](=O)[O-])cc2CN2CCC(C)CC2)cc1S(=O)(=O)N1CCC(C)CC1,AUAFSBCVLSVYQC-UHFFFAOYSA-N
-rxn:4:203878:224829,COC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2CN2CCC(C)CC2)cc1OC(F)(F)F,GOXBKJXNTOCLQL-UHFFFAOYSA-N
-rxn:4:203889:223787,COC(=O)c1ccc(-c2ccc(OCCCN3CCN(C)CC3)c(F)c2)cc1N1CCN(C)CC1,NTINYILAYFTXRC-UHFFFAOYSA-N
-rxn:4:203897:224426,CCS(=O)(=O)N1CCN(c2cccc(-c3cc(C4CCCCC4)cc(C4CC4)c3)c2)CC1,NEHVYTZHRYQGIH-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:4:203915:223179,CONC(=O)c1cc(-c2ccccc2S(=O)(=O)N2CCC(N3C(=O)COC3=O)C2)ccc1F,ZDIRJKUWMQYBCT-UHFFFAOYSA-N
-rxn:4:203915:223279,O=C1COC(=O)N1C1CCN(S(=O)(=O)c2ccccc2-c2cnc(C3CCCN3)nc2)C1,XMRIJJBEOLQTIR-UHFFFAOYSA-N
-rxn:4:203915:226366,O=C1COC(=O)N1C1CCN(S(=O)(=O)c2ccccc2-c2ccnc(N3CCCCC3)c2)C1,QDIIGXCXOPSNMI-UHFFFAOYSA-N
-rxn:4:203920:222432,COc1c(CN2CCN(C)CC2)cccc1-c1ccc(S(=O)(=O)NC2CCCCC2)c2ccccc12,AOVOWIYNVQDZCX-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:4:203966:225055,CC1CCCN(c2ccc(-c3cc(C(=O)N4CCC(N(C)C)CC4)ccc3Cl)c(Cl)c2)C1,MXIYARPVNUTTPU-UHFFFAOYSA-N
-rxn:4:203977:223279,O=C(c1ccccc1-c1cnc(C2CCCN2)nc1)N1CCC(N2C(=O)CSC2=O)CC1,DNEHXAVVRINYHL-UHFFFAOYSA-N
-rxn:4:203986:226327,N#CC1(c2ccc(-c3ccc(Cl)c(C(=O)N4CCC(N5C(=O)CSC5=O)CC4)c3)c(Cl)c2)CC1,LECZXTZPDXIBTD-UHFFFAOYSA-N
-rxn:4:203986:226331,N#CC1(c2ccc(-c3ccc(Cl)c(C(=O)N4CCC(N5C(=O)CSC5=O)CC4)c3)c(F)c2)CC1,IHSJDBOVKXXZML-UHFFFAOYSA-N
-rxn:4:203987:223279,O=C(c1cc(-c2cnc(C3CCCN3)nc2)ccc1Cl)N1CCC(N2C(=O)COC2=O)CC1,GXUWKKOUIMIUCR-UHFFFAOYSA-N
-rxn:4:204011:222845,CC(c1ccc(-c2ccc(S(=O)(=O)N3CCC(N(C)C)CC3)cc2)cc1)N1CCNCC1,LIBHBNNRXRNJFO-UHFFFAOYSA-N
-rxn:4:204011:225607,CC(c1ccc(-c2ccc(S(=O)(=O)N3CCC(N(C)C)CC3)cc2)s1)N1CCCCC1,OLFFBYYALBXFMN-UHFFFAOYSA-N
-rxn:4:204012:222845,CC(c1ccc(-c2cccc(S(=O)(=O)N3CCC(N(C)C)CC3)c2)cc1)N1CCNCC1,RPRROWFRMZFEDT-UHFFFAOYSA-N
-rxn:4:204012:225607,CC(c1ccc(-c2cccc(S(=O)(=O)N3CCC(N(C)C)CC3)c2)s1)N1CCCCC1,UXQYSJDRHYROMB-UHFFFAOYSA-N
-rxn:4:204014:223671,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)c2)CC1,XEBADXZEUHIVAJ-UHFFFAOYSA-N
-rxn:4:204023:222791,CC(C)N1CCN(Cc2c(F)cc(-c3cc(NC(=O)OC(C)(C)C)ccc3Cl)cc2F)CC1,GWOFWNLTLDVMQS-UHFFFAOYSA-N
-rxn:4:204023:223638,CC(C)N1CCN(Cc2c(F)cc(-c3cccc(C4CCCN(C(=O)OC(C)(C)C)C4)c3)cc2F)CC1,IHFSAEDNOABUHT-UHFFFAOYSA-N
-rxn:4:204030:224864,CC(C)N(Cc1ccc(-c2cccc(N3CCN(S(=O)(=O)C(C)C)CC3)c2)cc1)C(C)C,ZRDKETQPCWNOMI-UHFFFAOYSA-N
-rxn:4:204046:222489,COc1ccc(CNc2cc(-c3ccccc3S(=O)(=O)N3CCC(N4C(=O)CSC4=O)CC3)ccn2)c(OC)c1,XPSGOHLNKZCSRB-UHFFFAOYSA-N
-rxn:4:204046:228230,O=C1CSC(=O)N1C1CCN(S(=O)(=O)c2ccccc2-c2cnc(C3CC3)c(Cl)c2)CC1,AZONSSIWRCYYIH-UHFFFAOYSA-N
-rxn:4:204059:224379,CN1CCN(S(=O)(=O)c2ccccc2-c2ccc(S(=O)(=O)N3CCN(c4ccccc4Cl)CC3)cc2)CC1,SMRDIMRLFAZNMT-UHFFFAOYSA-N
-rxn:4:204061:223590,Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1-c1cncc(C(=O)N2CCSC(c3ccccc3F)CC2)c1,CJLGQMBLBQYGNT-UHFFFAOYSA-N
-rxn:4:204067:224018,O=S(=O)(c1cc(F)c(F)cc1-c1ccc(CN2CCCC2)c(N2CCOCC2)c1)N1CCOCC1,WEYVRIUFQCUBMD-UHFFFAOYSA-N
-rxn:4:204109:223179,CONC(=O)c1cc(-c2ccccc2S(=O)(=O)N2CCC(N3C(=O)COCC3=O)CC2)ccc1F,HYABMKXEUFHKOO-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:4:204121:227347,CC(C)Oc1ccc(-c2ccc(Cl)c(C(=O)N3CCCN(C4CCOC4)CC3)c2)c(Cl)c1,ZZXMLKSUDQSGDW-UHFFFAOYSA-N
-rxn:4:204132:226039,CCc1nn(S(=O)(=O)N(C)C)cc1-c1ccc(CN2CCCCC2)c(N2CCOCC2)c1,QEMHACUDVLDWCG-UHFFFAOYSA-N
-rxn:4:204134:223279,O=S(=O)(c1ccccc1-c1cnc(C2CCCN2)nc1)N1CCCN(C2CCOC2)CC1,XBYBUGXQEMODAK-UHFFFAOYSA-N
-rxn:4:204135:223279,O=S(=O)(c1ccccc1-c1cnc(C2CCCN2)nc1)N1CCCN(C2CCSC2)CC1,ASIXCQBTHHYZFS-UHFFFAOYSA-N
-rxn:4:204135:226484,COCCOc1cc(Cl)ccc1-c1ccccc1S(=O)(=O)N1CCCN(C2CCSC2)CC1,QSAGKBKHFQYMFF-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:4:204142:226844,CC1CN(Cc2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2N2CCOCC2)CCO1,LYWBYHGBAWLMQI-UHFFFAOYSA-N
-rxn:4:204148:225116,CCCCOc1c(F)c(C)cc(-c2ccc(CN3CCCC(C)C3)c(N3CCCC3)c2)c1F,ZSYSGILKHCQIMA-UHFFFAOYSA-N
-rxn:4:204151:223279,FC1(F)CCN(Cc2cc(-c3cnc(C4CCCN4)nc3)cc(N3CCCCC3)c2)CC1,MNBYESMJEWLZKI-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:4:204164:223179,CONC(=O)c1cc(-c2ccc(C3=NC4(CCCCC4)N(C(=O)c4ccc(Cl)cc4)C3=S)cc2)ccc1F,JDNUBLUAPMVPEW-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:4:204166:226844,CC1CCCCN1Cc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1N1CCOCC1,KPHJSYNYMOYHSX-UHFFFAOYSA-N
-rxn:4:204167:223179,CONC(=O)c1cc(-c2ccc(CN3CCCC(C)C3)c(N3CCOCC3)c2)ccc1F,TZFSMUNXHQMDQY-UHFFFAOYSA-N
-rxn:4:204167:226844,CC1CCCN(Cc2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2N2CCOCC2)C1,RVIJUBANBFJXPD-UHFFFAOYSA-N
-rxn:4:204168:223179,CONC(=O)c1cc(-c2ccc(CN3CCC(C)CC3)c(N3CCOCC3)c2)ccc1F,PWFYPKBCLNMDFQ-UHFFFAOYSA-N
-rxn:4:204168:226844,CC1CCN(Cc2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2N2CCOCC2)CC1,OQAUADGZOHOMOV-UHFFFAOYSA-N
-rxn:4:204170:224160,CC1CCCCN1Cc1ccc(-c2ccc3c(c2)CCN3C(=O)OC(C)(C)C)cc1N1CCCCC1,LCPSEZGWDALAGG-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:4:204180:222997,Cc1ccc(N2CCN(S(=O)(=O)c3cc(-c4ccc(Cl)cc4C4CCCNC4)c(C)cc3C)CC2)c(C)c1,UWFKESSEYVJHKY-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:4:204496:222922,CC(C)(C)NS(=O)(=O)c1ccccc1-c1nc2c(s1)C(=O)CN(C(=O)OC(C)(C)C)C2,VWKVRAGQYSHNPO-UHFFFAOYSA-N
-rxn:4:204510:223790,CC(C)(C)OC(=O)N1Cc2ccc(-c3cncc(C4CCCN4C(=O)OC(C)(C)C)c3)nc2C1,GCCNUHFCXANIID-UHFFFAOYSA-N
-rxn:4:204511:223579,CC1CN(C(=O)OC(C)(C)C)CCN1c1ccc(-c2ccc3c(n2)CCN3C(=O)OC(C)(C)C)cc1,LSNGOCAYXJNQIS-UHFFFAOYSA-N
-rxn:4:204528:223179,CONC(=O)c1cc(-c2ccccc2N2C(=O)C3CSC(C(=O)OC)N3C2=S)ccc1F,QHQHUZRFTRNSHH-UHFFFAOYSA-N
-rxn:4:204575:223577,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3ccc4[nH]cc(CCN5CCCC5)c4c3)cc2)CC1,XHZJEHBKOWFOAT-UHFFFAOYSA-N
-rxn:4:204689:223279,CCCN1C(=O)C(=C2SC(=S)N(CC)C2=O)c2cc(-c3cnc(C4CCCN4)nc3)ccc21,IXBJNENSMQXEOL-UHFFFAOYSA-N
-rxn:4:204689:224083,CCCN1C(=O)C(=C2SC(=S)N(CC)C2=O)c2cc(-c3ccc(OCc4ccc(C#N)cc4)cc3)ccc21,QQFUDQYYXSMUCK-UHFFFAOYSA-N
-rxn:4:204691:223279,CCCCN1C(=O)C(=C2SC(=S)N(C)C2=O)c2cc(-c3cnc(C4CCCN4)nc3)ccc21,HPBRLCLFZKMVGD-UHFFFAOYSA-N
-rxn:4:204693:226844,O=C(N=C1SC2CS(=O)(=O)CC2N1c1cccc(-c2ccnc(C(=O)C(F)(F)F)c2)c1)C1CC1,GNIDMMXYRMKNFV-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:4:204695:223279,COC(=O)C1=C(C)N=C2SC(C)C(=O)N2C1c1cccc(-c2cnc(C3CCCN3)nc2)c1,WNHATYOQDZECEC-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:4:204700:226769,COC(=O)c1cc(F)c(F)c(-c2ccc(C(=O)N3CC(N4C(=O)C5CC=CCC5C4=O)C3)o2)c1,FRWKLKQXUJZSIJ-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:4:204706:226844,O=C(N=C1SC2CS(=O)(=O)CC2N1c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1F)C1CC1,WIGXCRFBKUCFSG-UHFFFAOYSA-N
-rxn:4:204722:223179,CONC(=O)c1cc(-c2cccc(N3C(=NC(=O)C(C)C)SC4CS(=O)(=O)CC43)c2)ccc1F,XCENXVYKKUHCMM-UHFFFAOYSA-N
-rxn:4:204722:223279,CC(C)C(=O)N=C1SC2CS(=O)(=O)CC2N1c1cccc(-c2cnc(C3CCCN3)nc2)c1,FYCHOFMCINFRBX-UHFFFAOYSA-N
-rxn:4:204722:225366,CC(C)C(=O)N=C1SC2CS(=O)(=O)CC2N1c1cccc(-c2ccc(C(C)(F)F)cc2C(F)(F)F)c1,OEUNHNJCFVSCIG-UHFFFAOYSA-N
-rxn:4:204723:223279,CC(C)C(=O)N=C1SC2CS(=O)(=O)CC2N1c1ccc(-c2cnc(C3CCCN3)nc2)cc1,CMAYXAHUAOVUPJ-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:4:204740:223279,CCN1C(=O)C(=C2SC(=S)N(CC(C)C)C2=O)c2cc(-c3cnc(C4CCCN4)nc3)ccc21,ZLSIEOQUFBKDLU-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:4:204776:223179,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:4:204781:223279,O=C1CCC(=O)N1C1CC2CCC(C1)N2C(=O)c1ccccc1-c1cnc(C2CCCN2)nc1,XOFRKPCVYMCCHW-UHFFFAOYSA-N
-rxn:4:204785:223279,CCN1C(=O)C(=C2SC(=S)N(CC3CCCO3)C2=O)c2cc(-c3cnc(C4CCCN4)nc3)ccc21,PGRNUDKRGSCEIE-UHFFFAOYSA-N
-rxn:4:204796:223179,CONC(=O)c1cc(-c2ccc(N3C=C(C(=O)N4CCCC4)S(=O)(=O)c4ccc(Cl)cc43)cc2)ccc1F,GTIUMPXCPUUEGU-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:4:204804:223279,O=C1CCC(=O)N1C1CC2CCC(C1)N2S(=O)(=O)c1ccccc1-c1cnc(C2CCCN2)nc1,ZTMZRNLIYINYFN-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:4:204808:223179,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:4:204831:223179,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:4:204836:223179,CONC(=O)c1cc(-c2cccc(N3C=C(C(=O)N4CCCCC4)S(=O)(=O)c4ccc(F)cc43)c2)ccc1F,WBMAXYWZQAEMON-UHFFFAOYSA-N
-rxn:4:204836:223279,O=C(C1=CN(c2cccc(-c3cnc(C4CCCN4)nc3)c2)c2cc(F)ccc2S1(=O)=O)N1CCCCC1,ZQRKFQROZQHMBJ-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:4:204846:223279,Cc1ccc(C)c(N2C(=O)N(Cc3ccc(-c4cnc(C5CCCN5)nc4)cc3F)C3CS(=O)(=O)CC32)c1,OKITXKOEQVEPHL-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:4:204864:226844,Cc1cc(N2C=C(C(=O)N3CCCCC3)S(=O)(=O)c3ccccc32)ccc1-c1ccnc(C(=O)C(F)(F)F)c1,MDBFXHCHPLXAQL-UHFFFAOYSA-N
-rxn:4:204867:223279,CC1CCN(C(=O)C2=CN(c3cccc(-c4cnc(C5CCCN5)nc4)c3)c3cc(Cl)ccc3S2(=O)=O)CC1,VKLODIGSRHOCNG-UHFFFAOYSA-N
-rxn:4:204868:227808,CC1CCN(C(=O)C2=CN(c3ccc(-c4ccc5c(c4)CCCC5)cc3)c3cc(Cl)ccc3S2(=O)=O)CC1,DGLWZNIAKZAYOS-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:4:204874:224650,O=C1C2C(c3ccc(-c4cc(F)ccc4OCC4CCOCC4)cc3)OC3(C(=O)c4ccccc4C3=O)C2C(=O)N1c1cccc([N+](=O)[O-])c1,XWELESQDQWKUIQ-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:4:204877:226844,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:4:204944:224022,CC(C)c1ccc(C2Oc3ccc(-c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)cc3C3CC(c4ccco4)=NN32)cc1,ROXILOGQLYPKGV-UHFFFAOYSA-N
-rxn:4:204955:222694,COc1ccc(C2=NN3C(C2)c2cc(-c4cccc(S(=O)(=O)NC5CCCCC5)c4)ccc2OC3C2CCCCC2)cc1,LLZMGZNJNMNJLS-UHFFFAOYSA-N
-rxn:4:204955:223179,CONC(=O)c1cc(-c2ccc3c(c2)C2CC(c4ccc(OC)cc4)=NN2C(C2CCCCC2)O3)ccc1F,KRTJHEZRKUHACQ-UHFFFAOYSA-N
-rxn:4:204989:223506,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cccc(-c3cc(C#N)c(F)c(C#N)c3)c2)CC1,HMOJLAFXQDPUCM-UHFFFAOYSA-N
-rxn:4:205080:223507,COC(=O)c1cnc(-c2ccccc2S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cn1,JJYYAEFKWXUMCV-UHFFFAOYSA-N
-rxn:4:205151:223491,CCOc1nccnc1-c1cc(N2CCN(C(=O)OC(C)(C)C)CC2)cc(C(F)(F)F)c1,XHMWKWFAKAGMFN-UHFFFAOYSA-N
-rxn:4:205876:223573,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3nc(CN4CCC4)ccc3F)cc2)CC1,CNYSCZNHBGXZNJ-UHFFFAOYSA-N
-rxn:4:205924:223541,N#Cc1cccc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC3(CC2)OCCO3)c1N1CCSC1,NCVBHZUNHPSGLY-UHFFFAOYSA-N
-rxn:4:206305:223521,CC(c1cccc(-c2ccc(-c3nc(C(F)(F)F)cn3C)cc2Cl)c1)N1CCN(C(=O)OC(C)(C)C)CC1,ADDRNAKPAKEXAC-UHFFFAOYSA-N
-rxn:4:206330:223481,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3cnccc3CN3CCCC3)c(F)c2)CC1,SQCBIWDVTUUDTA-UHFFFAOYSA-N
-rxn:4:206484:223838,CN(c1nc(-c2ccc(N3CCN(S(=O)(=O)N(C)C)CC3)cc2)cs1)C1CCOCC1,CNWPVCVKOXCKKE-UHFFFAOYSA-N
-rxn:4:206759:223606,O=S(=O)(c1ccc(-c2cnc(N3CCC(C(F)(F)F)CC3)c(Cl)c2)cc1F)N1CCC2(CC1)OCCO2,HWINHMWPZODZJK-UHFFFAOYSA-N
-rxn:4:206771:225280,COc1nc(OC)c([Si](C)(C)C)cc1-c1cc(C(F)(F)F)cnc1N1CCC(F)(F)CC1,GOQBSMQYUATAGC-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:4:206901:222604,COc1ccc(-c2ccc(CN3CCCN(C)CC3)o2)cc1S(=O)(=O)NC1CCCC1,BMAVNRNONGZPAC-UHFFFAOYSA-N
-rxn:4:206913:222524,CCC1CCCCN1c1ccc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC(O)CC2)cn1,BCNRHFSPGREQPY-UHFFFAOYSA-N
-rxn:4:206945:223994,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1sc(C2CCCN(S(C)(=O)=O)C2)nc1C,QGIUNUPJGCDMBX-UHFFFAOYSA-N
-rxn:4:206970:224247,CC1CCN(C(=O)c2ccc(-c3cc(N4CCC(C)CC4)c([N+](=O)[O-])cc3F)c(F)c2)CC1,PEZDREUUTGJUAJ-UHFFFAOYSA-N
-rxn:4:207057:222742,Cc1ccc(-c2cc(C3CCNCC3)nc(C3CC3)c2)cc1S(=O)(=O)N1CCN(C)CC1,OMIKNHYTNVWOBS-UHFFFAOYSA-N
-rxn:4:207061:224773,Cc1cc(-c2cccc(S(=O)(=O)N3CCCN(C)CC3)c2)ccc1S(=O)(=O)N1CCCC1,ZNCDBKFEJNCDKB-UHFFFAOYSA-N
-rxn:4:207462:223845,CCn1ncc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCN(C)CC2)c1C12CSCCC1O2,ITCAXZVSKCMSRI-UHFFFAOYSA-N
-rxn:4:207463:223845,CCn1ncc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCN(C)CC2)c1C12CCSCC1O2,PJRPQGKMMMVVKZ-UHFFFAOYSA-N
-rxn:4:207464:222465,CCn1ncc(-c2cc(C3CCCCC3)nc(C3CCCNC3)c2)c1C12COC(C)C1O2,QADYFLWRWIVEAK-UHFFFAOYSA-N
-rxn:4:207729:223557,Cc1cc(N2C=C(C#N)S(=O)(=O)c3ccccc32)ccc1-c1c(F)ccc2c1ccn2[Si](C(C)C)(C(C)C)C(C)C,GTNYFNRFRAIMEB-UHFFFAOYSA-N
-rxn:4:207747:223179,CONC(=O)c1cc(-c2ccc(N3C(=NC(C)=O)SC4CS(=O)(=O)CC43)cc2)ccc1F,IBQHDUADBQNBDR-UHFFFAOYSA-N
-rxn:4:207759:223568,CC(=O)N=C1SC2CS(=O)(=O)CC2N1c1ccc(-c2cnc3c(ccn3[Si](C(C)C)(C(C)C)C(C)C)c2Cl)cc1Cl,PGPBGJPDEDEONR-UHFFFAOYSA-N
-rxn:4:207770:223279,CCN1C(=O)C(=C2C(=O)N(CC)c3ccc(-c4cnc(C5CCCN5)nc4)cc32)SC1=S,NLFYMKBSYYQANN-UHFFFAOYSA-N
-rxn:4:207834:226844,CC(=O)N=C1SC2CS(=O)(=O)CC2N1c1c(C)cc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1C,RQHPLECOKOGVET-UHFFFAOYSA-N
-rxn:4:207857:223179,CONC(=O)c1cc(-c2ccc(C(=O)N3C4CCC3CC3(C4)CN(C)C(=O)C(C)O3)o2)ccc1F,ASNYQICHKUFSNN-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:4:207965:226844,COc1ccc(C2=NN3C(C2)c2cc(-c4ccnc(C(=O)C(F)(F)F)c4)ccc2OC32CCC(C)CC2)cc1,PMVNNYHQDQKVMM-UHFFFAOYSA-N
-rxn:4:207968:223636,CC(C)(C)OC(=O)N1CCCC(c2ccc(-c3ccc(C(=O)N4CCc5c6n(c7ccccc57)C(=O)CCC64)cc3)cc2)C1,TYSNDXXLERWDIY-UHFFFAOYSA-N
-rxn:4:209214:223536,CC(C)(C)OC(=O)N1CCN(c2cc(-c3csc(N4CCOCC4)n3)cc(F)c2F)CC1,WUSNXZYOLICPFV-UHFFFAOYSA-N
-rxn:4:209217:223527,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)ccc2-c2csc(N3CCSCC3)n2)CC1,XPVMLWIZRKTOER-UHFFFAOYSA-N
-rxn:4:209217:223536,CC(C)(C)OC(=O)N1CCN(c2cc(-c3csc(N4CCSCC4)n3)cc(F)c2F)CC1,MELKXULMDJOZNB-UHFFFAOYSA-N
-rxn:4:209217:223541,O=S(=O)(c1cc(F)c(F)cc1-c1csc(N2CCSCC2)n1)N1CCC2(CC1)OCCO2,IAHPYORGXRVFTH-UHFFFAOYSA-N
-rxn:4:210535:223529,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3nc(C(F)(F)F)n4c3CCCC4)cc2F)CC1,USNUONIVFKQCFH-UHFFFAOYSA-N
-rxn:4:211042:225875,CN1C(=O)CCC(N2Cc3c(cccc3-c3ccc(N4CCOCC4)cc3Cl)C2=O)C1=O,VWZMPUOCRAUMNY-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:4:211089:223549,CC(C)c1cccc(C(C)C)c1OCc1ccc(-c2ccc3c(c2)N2CCCCCC2=C(C#N)S3(=O)=O)cc1,MULAFEXNNVIUEK-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:4:211101:223179,CONC(=O)c1cc(-c2ccc3c(c2)C2CC(c4ccc(C)cc4)=NN2C2(CCC(C)CC2)O3)ccc1F,YTRRWHVIRHZPMA-UHFFFAOYSA-N
-rxn:4:211101:224991,Cc1ccc(C2=NN3C(C2)c2cc(-c4cc(C5CC5)nc(N5CCCC5)c4)ccc2OC32CCC(C)CC2)cc1,HMANBPIHXNWVRB-UHFFFAOYSA-N
-rxn:4:211101:225828,Cc1ccc(C2=NN3C(C2)c2cc(-c4cnc(N5CCCCCC5)nc4)ccc2OC32CCC(C)CC2)cc1,RWRFOKVJYIWJQW-UHFFFAOYSA-N
-rxn:4:212284:223539,COc1ccc(-c2cnc3c(c2)N(C)C(=O)CO3)cc1S(=O)(=O)N1CCC2(CC1)OCCO2,HAKUHZIOGFFXFO-UHFFFAOYSA-N
-rxn:4:212410:223593,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc4n3CCCCCC4)cc2Cl)CC1,BCYZBGGHHPLQNF-UHFFFAOYSA-N
-rxn:4:212526:223136,N#CC1CCN(CCOc2ccc([N+](=O)[O-])cc2-c2ccncc2C2CCCNC2)CC1,YBBRDZMSUJPAFX-UHFFFAOYSA-N
-rxn:4:212547:222774,CCOCCN1CCC(Oc2ncc(-c3ccc(F)c(CN4CCC(O)CC4)c3)cn2)CC1,RNCQKNRGMHMNAW-UHFFFAOYSA-N
-rxn:4:212587:223835,CCOc1ccc(S(=O)(=O)N2CC(Cn3cc(-c4cc(S(=O)(=O)N5CCC(C)CC5)c(C)cc4F)cn3)C2)cc1,HRCFZZKYFIQVOL-UHFFFAOYSA-N
-rxn:4:212587:223981,CCOc1ccc(S(=O)(=O)N2CC(Cn3cc(-c4ccc(S(=O)(=O)N5CCN(CC)CC5)cc4)cn3)C2)cc1,DTKPENLTGBPYPO-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:4:212593:223525,CN(C(=O)c1ccc(-c2cccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)nc1)C1CN(C(=O)OC(C)(C)C)C1,AQXOQQBHXZHSEP-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:4:212608:226844,CC(=O)OC(C)(C)C(=O)N1CCCC(Oc2ncc(-c3ccnc(C(=O)C(F)(F)F)c3)cn2)C1,UTMSRZQEGOMPNE-UHFFFAOYSA-N
-rxn:4:212609:223775,COc1ccc2c(c1)c(-c1nccn1CC1CCN(C(=O)OCc3ccccc3)CC1)cn2C(=O)OC(C)(C)C,BILXZYGCLNGSRX-UHFFFAOYSA-N
-rxn:4:212619:223179,CONC(=O)c1cc(-c2cnc(OCC3CCCN(C(=O)OC(C)(C)C)C3)nc2)ccc1F,RDUGGEVOZUIFID-UHFFFAOYSA-N
-rxn:4:212622:223992,Cc1ccc(-c2cnc(OCC3CCCN(C(=O)Cc4ccc(F)cc4)C3)nc2)cc1S(=O)(=O)N1CCN(C)CC1,OCGKVXATCAFXQU-UHFFFAOYSA-N
-rxn:4:212627:225003,COc1cc(N2CCCCC2)ccc1-c1ccc(S(=O)(=O)N2CCCC(COc3cc(C#N)ccn3)C2)cc1,OHYPSEUGIBHABH-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:4:212630:224253,CC1CCCCN1C(=O)c1cc(-c2cncc(C(=O)N3CCCC(COc4ncccc4C(F)(F)F)C3)c2)ccc1F,XOHQKRJJEHSLLF-UHFFFAOYSA-N
-rxn:4:212635:224712,CC(=O)OC(OC(C)=O)c1ccc(-c2cnn(C)c2CN(C(=O)OC(C)(C)C)C2CCCC2)cc1,ZDRAEDYIBPKBDW-UHFFFAOYSA-N
-rxn:4:212637:222639,C[C@H](NC(=O)OC(C)(C)C)c1ccc(-c2ccc(C(=O)N(C)C3CCN(C(=O)OC(C)(C)C)C3)cn2)cc1,KUABUDNNQNBTMS-HSTJUUNISA-N
-rxn:4:212639:223279,CC(C)(C)OC(=O)N1CCN(C(=O)Cc2cncc(-c3cnc(C4CCCN4)nc3)c2)CC1,KGBCEUCXHGKLBE-UHFFFAOYSA-N
-rxn:4:212639:225287,CC(C)(C)OC(=O)c1cnc(Cl)cc1-c1cncc(CC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1,RQPQHOPTTRYZPK-UHFFFAOYSA-N
-rxn:4:212647:223179,CONC(=O)c1cc(-c2cnc(CCC3CCCCN3C(=O)OC(C)(C)C)cn2)ccc1F,HTFZUNMVYJDRTJ-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:4:212652:223179,CONC(=O)c1cc(-c2cc(C(=O)OC)cc(N3CCN(C(=O)OC(C)(C)C)CC3)n2)ccc1F,VRGXDPCQFPHVCI-UHFFFAOYSA-N
-rxn:4:212655:226844,COC(=O)c1cc(-c2ccnc(C(=O)C(F)(F)F)c2)cnc1N1CCN(C(=O)OC(C)(C)C)CC1,NKMNNVQRPXAROR-UHFFFAOYSA-N
-rxn:4:212656:223179,CONC(=O)c1cc(-c2cc(C(=O)OC)cnc2N2CCN(C(=O)OC(C)(C)C)CC2)ccc1F,GBSOWMVBSYWTGW-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:4:212658:223279,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:4:212663:223279,COC(=O)c1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1-c1cnc(C2CCCN2)nc1,RQGPLSWWAMGNCI-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:4:212665:223008,COc1ccccc1S(=O)(=O)N1CCCC(COc2ncc(-c3cc(C4CCNCC4)ccc3F)cn2)C1,CEBQHMVNUOQUAP-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:4:212685:226177,COC(=O)c1ccc(N2CCN(S(=O)(=O)c3ccc(-c4ccnc(C5CCCCC5)c4)cc3)CC2)c([N+](=O)[O-])c1,BRYRBSXQVZOFMO-UHFFFAOYSA-N
-rxn:4:212689:223279,Cn1cc(-c2cnc(C3CCCN3)nc2)c(CN(C(=O)OC(C)(C)C)C2CCCCC2)n1,CKXQWKVYHMSFIM-UHFFFAOYSA-N
-rxn:4:212693:223179,CONC(=O)c1cc(-c2cncc(CC(=O)N3CCN(C(=O)OC(C)(C)C)CC3C)c2)ccc1F,RAAZDGAVSWXJEL-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:4:212720:226844,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:4:212721:223179,CONC(=O)c1cc(-c2cc(C(=O)OC(C)(C)C)cc(N3CCN(C(=O)C(C)C)CC3)n2)ccc1F,HLPFSNHFRMBFOE-UHFFFAOYSA-N
-rxn:4:212722:222629,Cc1ccc(S(=O)(=O)N(Cc2ccc(-c3cc(C4CCCNC4)nc(C(C)(C)C)c3)cc2)C(=O)N2CCN(C)CC2)cc1,KJAXSJMRBNDSMG-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:4:212722:226844,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:4:212736:223179,CONC(=O)c1cc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)c(N3CCCC3)c2)ccc1F,DTPVMGPCEKFIPQ-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:4:212751:223179,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:4:212751:226844,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:4:212768:223179,CCOC(=O)c1nc(-c2ccc(F)c(C(=O)NOC)c2)n2c1CN(C(=O)OC(C)(C)C)CC2,FZDYMGUNYJRMJR-UHFFFAOYSA-N
-rxn:4:212768:223279,CCOC(=O)c1nc(-c2cnc(C3CCCN3)nc2)n2c1CN(C(=O)OC(C)(C)C)CC2,LHQMGIFIFAZSJL-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:4:212770:223279,CCOC(=O)c1nn2c(c1-c1cnc(C3CCCN3)nc1)CN(C(=O)OC(C)(C)C)CC2,FDMCAZOSKSLQRL-UHFFFAOYSA-N
-rxn:4:212771:225975,CN(C)CCN(C(=O)C1=COCCO1)c1nc2ccc(-c3ccnc(N4CCOCC4)c3Cl)cc2s1,GLAGUQSHYONEJD-UHFFFAOYSA-N
-rxn:4:212771:225979,CN(C)CCN(C(=O)C1=COCCO1)c1nc2ccc(-c3cnc(N4CCOCC4)c(Cl)c3)cc2s1,LDZXHDPMYLZNFP-UHFFFAOYSA-N
-rxn:4:212774:223992,Cc1ccc(-c2ccccc2C(=O)N(CCN(C)C)c2nc3c(Cl)cccc3s2)cc1S(=O)(=O)N1CCN(C)CC1,ZOILTOIXFLJCTE-UHFFFAOYSA-N
-rxn:4:212775:223279,COCCn1c(=NC(=O)CN2C(=O)CCC2=O)sc2cc(-c3cnc(C4CCCN4)nc3)ccc21,OFAZDMZACPEKIZ-UHFFFAOYSA-N
-rxn:4:212778:223179,CONC(=O)c1cc(-c2ccc3c(c2)sc(=NC(=O)CSCC(=O)N2CCCC2)n3C)ccc1F,IDBDWBBSUTWKJQ-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:4:212791:223179,CCOC(=O)c1nn2c(c1-c1ccc(F)c(C(=O)NOC)c1)CN(C(=O)OC(C)(C)C)CCC2,RJRPGFIWDHCEKX-UHFFFAOYSA-N
-rxn:4:212791:226844,CCOC(=O)c1nn2c(c1-c1ccnc(C(=O)C(F)(F)F)c1)CN(C(=O)OC(C)(C)C)CCC2,MRPAMESTGGIWCK-UHFFFAOYSA-N
-rxn:4:212806:225935,COCCn1c(=NC(=O)c2ccc(N3C(=O)CCC3=O)cc2)sc2cc(-c3cc(C(C)C)nc(C(F)(F)F)c3)ccc21,DKOIGQATEOEEJC-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:4:212828:223179,CONC(=O)c1cc(-c2ccc(OC)cc2C(=O)N(Cc2nn(C)c3c2CCC3)C2CCCC2)ccc1F,STKKECFVHMVHQT-UHFFFAOYSA-N
-rxn:4:212828:223279,COc1ccc(-c2cnc(C3CCCN3)nc2)c(C(=O)N(Cc2nn(C)c3c2CCC3)C2CCCC2)c1,GRMUNYMXMGFBQS-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:4:212843:226844,CN1CCN(c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)c3c2C[C@H](N(Cc2ccccc2)Cc2ccccc2)CC3)CC1,RQFDHQOQEJGIDF-GDLZYMKVSA-N
-rxn:4:212848:226844,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:4:212905:223529,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccnc(OC4CN(C(=O)OC(C)(C)C)C4)n3)cc2F)CC1,XRVNBYKYJNTTRA-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:4:212944:223279,CCOC(=O)N1CCN(c2ncc(C(F)(F)F)cc2-c2cnc(C3CCCN3)nc2)CC1,VVVHMRPYIPKNKB-UHFFFAOYSA-N
-rxn:4:212968:222584,O=C(C1CC1)N1CCCC(COc2ncc(-c3ccc(OCCCN4CCNCC4)c(F)c3)cn2)C1,ZBCKAOYKCOXOKC-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:4:212989:222485,Cc1cccc(NC(=O)c2ccc(-c3ncc(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)s3)cc2F)c1C,AEOKEPSDDSQTBX-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:4:213031:222582,COc1ccc(F)cc1S(=O)(=O)N1CCC(Oc2ncc(-c3cccc(C(=O)NCCN4CCOCC4)c3)cn2)C1,HEMXRLQFKIWWOH-UHFFFAOYSA-N
-rxn:4:213044:222948,CC(C)(C)OC(=O)N1CCC(Oc2ncc(-c3cnc(N4CCC(O)CC4)nc3Cl)cn2)CC1,GPNCQOCLIXOEGP-UHFFFAOYSA-N
-rxn:4:213044:226524,CCOC(=O)c1ccc(-c2cnc(OC3CCN(C(=O)OC(C)(C)C)CC3)nc2)c(F)c1,HYLJAPUVGDBYEY-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:4:213065:225286,CC(C)(C)OC(=O)c1cnc(F)cc1-c1cnc(OC2CCCN(C(=O)c3ccc(C(F)(F)F)cc3)C2)nc1,CFVRXQACMKZYNA-UHFFFAOYSA-N
-rxn:4:213066:225321,CCOC(=O)c1cnn2cc(-c3ccc(C(=O)N4CCC(N5CC(=O)N(CC(F)(F)F)C5=O)CC4)o3)cnc12,ABCHCFKZIXYSRO-UHFFFAOYSA-N
-rxn:4:213072:223179,CONC(=O)c1cc(-c2cnn(CC3CCCN(C(=O)OC(C)(C)C)C3)c2)ccc1F,RUVTZTSDCIYPED-UHFFFAOYSA-N
-rxn:4:213075:223179,CONC(=O)c1cc(-c2cccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)n2)ccc1F,CCKNMXQSFJASLV-UHFFFAOYSA-N
-rxn:4:213075:223279,CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(-c3cnc(C4CCCN4)nc3)n2)CC1,OEJTXRHIKDMMFC-UHFFFAOYSA-N
-rxn:4:213079:223279,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3cnc(C4CCCN4)nc3)nc2)CC1,MHKLQRPNKWTAPQ-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:4:213080:223525,CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(-c3cncc(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c3)c2)CC1,KZTAADOVPVFJQP-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:4:213092:223279,CC(C)(C)OC(=O)N1CCN(c2ccc(C#N)c(-c3cnc(C4CCCN4)nc3)c2)CC1,YPSCZNJXOAGINU-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:4:213095:223279,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:4:213096:223503,CC(C)(C)OC(=O)N1CCC(Oc2cc(F)c(-c3ccc(C#N)c(N4CCN(C(=O)OC(C)(C)C)CC4)c3)c(F)c2)CC1,GHSVYKINBDCFKH-UHFFFAOYSA-N
-rxn:4:213097:223279,CC(C)(C)OC(=O)N1CCC(C#N)(c2ccc(-c3cnc(C4CCCN4)nc3)cn2)CC1,VWPHTCFLQJCLRR-UHFFFAOYSA-N
-rxn:4:213098:223179,CONC(=O)c1cc(-c2cc(C#N)cc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)ccc1F,DYWVPENMBFJXFY-UHFFFAOYSA-N
-rxn:4:213099:226916,CC(C)(C)OC(=O)N1CCC(n2ncc(-c3cccc(C4=CCCC4)c3)c2C(F)(F)F)CC1,GLSRKVZPGFRENE-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:4:213100:225888,Cc1nc2cc(-c3cn(C4CCN(C(=O)OC(C)(C)C)CC4)nc3C(F)(F)F)c(F)c(F)c2n1C,FNRMCPWBLITZHA-UHFFFAOYSA-N
-rxn:4:213104:223179,CONC(=O)c1cc(-c2cccnc2OC2CCN(C(=O)CN3C(=O)CCC3=O)CC2)ccc1F,WXKDIRKDIINXGK-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:4:213123:223784,CCN1CCN(CCOc2ccc(-c3ccccc3CC(=O)N3CCN(c4ccnc(C(F)(F)F)c4)C(=O)C3)cc2F)CC1,SBYKMOOOMBQGEW-UHFFFAOYSA-N
-rxn:4:213126:222791,CC(C)(C)OC(=O)Nc1ccc(Cl)c(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)cn2)c1,WQIYXVDFNZLZCF-UHFFFAOYSA-N
-rxn:4:213126:223179,CONC(=O)c1cc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)cn2)ccc1F,BWKLAMWGFJJWOG-UHFFFAOYSA-N
-rxn:4:213126:224273,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cc4ncccc4n3C(=O)OC(C)(C)C)nc2)CC1,BJTLKJABACZDJQ-UHFFFAOYSA-N
-rxn:4:213128:223279,COc1nc(-c2cnc(C3CCCN3)nc2)cn1C1CCCN(C(=O)OC(C)(C)C)C1,YHSVRJDOUHHDDO-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:4:213132:226844,CC(C)(C)C(=O)N1CCCC(COc2ncc(-c3ccnc(C(=O)C(F)(F)F)c3)cn2)C1,UZPBDUUMHKWDOL-UHFFFAOYSA-N
-rxn:4:213135:226293,CC(C)(C)CC(=O)N1CCC(Oc2ncc(-c3ccc(OCC4CC4)c(Cl)c3)cn2)CC1,GSMMHTDODFFMAF-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:4:213137:226844,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:4:213138:223279,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3cnc(C4CCCN4)nc3)cnc2F)CC1,NVVDOPMBTVSHSB-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:4:213150:223279,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(-c3cnc(C4CCCN4)nc3)cn2)CC1,CVFFIWSOHICOKI-UHFFFAOYSA-N
-rxn:4:213163:223279,O=C(C1CCCC1)N1CCC(COc2ncc(-c3cnc(C4CCCN4)nc3)cn2)CC1,FWMJMQAKNFJGCU-UHFFFAOYSA-N
-rxn:4:213164:223179,CONC(=O)c1cc(-c2cnc(OCC3CCCN(C(=O)C4CCCC4)C3)nc2)ccc1F,JOKJTGQROKDXPV-UHFFFAOYSA-N
-rxn:4:213165:223179,CONC(=O)c1cc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2OC)ccc1F,LPDMYHYETYYOEG-UHFFFAOYSA-N
-rxn:4:213172:223839,COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1ccc(S(=O)(=O)N2CCC(CSc3nccn3C)CC2)cc1,QITWKKBVOFZPHI-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:4:213192:223179,CONC(=O)c1cc(-c2cc(C(=O)OC(C)(C)C)cc(N3CCN(C(C)=O)CC3)n2)ccc1F,SLSWDZZEVPGKIY-UHFFFAOYSA-N
-rxn:4:213192:223279,CC(=O)N1CCN(c2cc(C(=O)OC(C)(C)C)cc(-c3cnc(C4CCCN4)nc3)n2)CC1,OAJMDICEZIWJPZ-UHFFFAOYSA-N
-rxn:4:213192:228362,CC(=O)N1CCN(c2cc(C(=O)OC(C)(C)C)cc(-c3cnc(Cl)nc3C3CC3)n2)CC1,GYXHLCBZWXKEIL-UHFFFAOYSA-N
-rxn:4:213195:223279,O=C(C1CCOCC1)N1CCC(COc2ncc(-c3cnc(C4CCCN4)nc3)cn2)CC1,MHFXULKDZPRWFO-UHFFFAOYSA-N
-rxn:4:213196:223179,CONC(=O)c1cc(-c2cnc(OCC3CCCN(C(=O)C4CCOCC4)C3)nc2)ccc1F,CEWMCSPPYLFVFE-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:4:213213:223279,CN(c1cccc(-c2cnc(C3CCCN3)nc2)n1)C1CCN(C(=O)OC(C)(C)C)CC1,UFHPBDHNDGVTIZ-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:4:213214:226844,CCN1CCN(c2cc(C(=O)OC(C)(C)C)cc(-c3ccnc(C(=O)C(F)(F)F)c3)n2)CC1,BGWHOYWPYUOCDP-UHFFFAOYSA-N
-rxn:4:213216:223179,CONC(=O)c1cc(-c2cnc(OCC3CCCN(CC4CCCCO4)C3)nc2)ccc1F,ANPZWGFNQWIAMQ-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:4:213217:223279,CCN1CCN(c2ncc(-c3cnc(C4CCCN4)nc3)cc2C(=O)OC(C)(C)C)CC1,SQLHOIBIDHIYSF-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:4:213219:223179,CCN1CCN(c2ccc(-c3ccc(F)c(C(=O)NOC)c3)c(C(=O)OC(C)(C)C)n2)CC1,JHIUTNVJWPIAEC-UHFFFAOYSA-N
-rxn:4:213219:226844,CCN1CCN(c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)c(C(=O)OC(C)(C)C)n2)CC1,KIYVDELXFSKZFA-UHFFFAOYSA-N
-rxn:4:213220:226844,CC1CN(c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2[N+](=O)[O-])CCN1C(=O)OC(C)(C)C,BKUGNKMAMBXNCH-UHFFFAOYSA-N
-rxn:4:213225:222684,CC(C)(C)OC(=O)N1CCC[C@H]1c1ncc(-c2ccc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)cc2)[nH]1,ZWWKMGIWDSZZNT-SANMLTNESA-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:4:213230:223279,CC1CN(C(=O)OC(C)(C)C)CCN1c1cc(-c2cnc(C3CCCN3)nc2)cc(F)c1[N+](=O)[O-],WGHCMBUYZWMHHU-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:4:213244:223279,FC(F)(F)CN1CCN(Cc2ccc(-c3cnc(C4CCCN4)nc3)cc2N2CCCC2)CC1,BLKYQBPAXWHTOK-UHFFFAOYSA-N
-rxn:4:213253:223279,CS(=O)(=O)N1CCC(C(=O)N2CCC(Oc3ccncc3-c3cnc(C4CCCN4)nc3)C2)CC1,YFHJWZBYMDYWKK-UHFFFAOYSA-N
-rxn:4:213253:226844,CS(=O)(=O)N1CCC(C(=O)N2CCC(Oc3ccncc3-c3ccnc(C(=O)C(F)(F)F)c3)C2)CC1,CUYBVXNPWHPUEY-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:4:213258:223279,Cc1nn(CC2CCCN(C(=O)OC(C)(C)C)C2)c(C)c1-c1cnc(C2CCCN2)nc1,YVSBOHZZPCKYEL-UHFFFAOYSA-N
-rxn:4:213258:224670,Cc1nn(CC2CCCN(C(=O)OC(C)(C)C)C2)c(C)c1-c1cc(CN2CCN(C)CC2)ccc1F,XNIGFYWDYOULSJ-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:4:213259:223279,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:4:213261:226844,O=C(c1cc(-c2ccc(CN3CCN(CC(F)(F)F)CC3)c(N3CCOCC3)c2)ccn1)C(F)(F)F,OQXGMIKVMOFWCB-UHFFFAOYSA-N
-rxn:4:213266:223179,CONC(=O)c1cc(-c2cc(C(=O)OC(C)(C)C)cc(N3CCN(C(C)C)CC3)n2)ccc1F,FXOCEGTZWPYDAV-UHFFFAOYSA-N
-rxn:4:213267:226844,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:4:213269:223179,CONC(=O)c1cc(-c2ccc(OC)cc2C(=O)N2CCC(n3nc(C4CC4)ccc3=O)CC2)ccc1F,AMKFVAQZEJUQCP-UHFFFAOYSA-N
-rxn:4:213271:225642,COc1ccc(-c2cc(C)cc(-c3cnccn3)c2)c(C(=O)N2CCC(N3CC(=O)N(C4CC4)C3=O)CC2)c1,ZHNVVINFEAJISF-UHFFFAOYSA-N
-rxn:4:213281:223179,CONC(=O)c1cc(-c2cccnc2OC2CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)CC2)ccc1F,GNRUYJDNWKEYPP-UHFFFAOYSA-N
-rxn:4:213281:223606,CS(=O)(=O)N1CCC(C(=O)N2CCC(Oc3ncccc3-c3ccc(S(=O)(=O)N4CCC5(CC4)OCCO5)c(F)c3)CC2)CC1,VJDJZRQHBJKEFE-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:4:213292:228192,Cc1nc(N(C)C)ccc1-c1ccc(N2C(=O)CC(N3CCN(CC=Cc4ccccc4)CC3)C2=O)cc1,JDTSPXXZEPMVGA-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:4:213355:226602,CC(C)CS(=O)(=O)C1CN(C(=O)c2c3ccc(-c4cc(Cl)c(OC(C)C)cc4F)cc3nn2C)C1,JQHKRSHLIUHDDZ-UHFFFAOYSA-N
-rxn:4:213380:225232,CC1CCN(c2cc(-c3ccc(-n4c(SCC(=O)N5CCCCC5)nc5c(c4=O)SCC5)cc3)cnc2Cl)CC1,HFJMSZWCNODDCI-UHFFFAOYSA-N
-rxn:4:213387:223589,Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1ccc2c(c1)ncn2CC1CCN(C(=O)OC(C)(C)C)CC1,UMDXKZFSBDZXCR-UHFFFAOYSA-N
-rxn:4:213388:225266,CCCOc1ccc(C(F)(F)F)cc1-c1ccnc2c1ccn2CC1CCN(C(=O)OC(C)(C)C)CC1,LFOXZSPNTFAYTL-UHFFFAOYSA-N
-rxn:4:213388:225274,COCCOc1c(F)cc(-c2ccnc3c2ccn3CC2CCN(C(=O)OC(C)(C)C)CC2)c(C)c1F,WFSPBYTZSUJEAX-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:4:213412:227755,CC(C)CS(=O)(=O)C1CCN(C(=O)c2c3ccc(-c4cc(C(F)(F)F)ccc4F)cc3nn2C)CC1,KKWKIHJLLBTLEK-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:4:213414:223179,CONC(=O)c1cc(-c2ccc3[nH]c(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4C)cc3c2)ccc1F,JFJRCOMCELFFLD-UHFFFAOYSA-N
-rxn:4:213415:223279,O=C(CSc1nc2c(c(=O)n1-c1ccc(-c3cnc(C4CCCN4)nc3)cc1)SCC2)N1CCCCCC1,PMVFYYZPQQIMDO-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:4:213424:223179,CONC(=O)c1cc(-c2ccc(C(=O)N3CCC(COc4cc5c(nn4)CCCC5)CC3)cc2)ccc1F,UTNCEZUPQYTUBR-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:4:213469:223179,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:4:213474:223279,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:4:213475:223279,COc1cc(-c2cnc(C3CCCN3)nc2)ccc1[C@@H]1c2ccc3c(cnn3C3CCCCCO3)c2C[C@@H](C)N1CC(F)(F)F,XPCOJXVIXXQYNR-UOFYHEFLSA-N
-rxn:4:213476:226844,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:4:213481:226844,COC12CC(COC(=O)c3cncc(-c4ccnc(C(=O)C(F)(F)F)c4)c3)CN(C)C1Cc1cn(C)c3cccc2c13,LTBJHCZAELZKLS-UHFFFAOYSA-N
-rxn:4:213481:226867,COC12CC(COC(=O)c3cncc(-c4c(F)cccc4OC(F)(F)F)c3)CN(C)C1Cc1cn(C)c3cccc2c13,VQCYGTBTABVZNW-UHFFFAOYSA-N
-rxn:4:213660:222813,CCOC(=O)N1CCN(c2ccc(-c3cnc(NC(=O)OC(C)(C)C)c(Cl)c3)cn2)CC1,WTZYGJWFXJNQIC-UHFFFAOYSA-N
-rxn:4:213660:223748,CCOC(=O)N1CCN(c2ccc(-c3cc(N4CCCCC4)cc(N4CCCCC4)c3)cn2)CC1,AMIVEWIJGOYQNC-UHFFFAOYSA-N
-rxn:4:213663:223940,CC(C)(C)OC(=O)N1CC(c2ncc(-c3ccc4c(c3)OCCN4C(=O)OC(C)(C)C)cn2)C1,DMTUUKLLDIOKAL-UHFFFAOYSA-N
-rxn:4:213680:223294,O=[N+]([O-])c1cc(F)c(-c2csc(N3CCNCC3)n2)cc1N1CCN(CC(F)(F)F)CC1,FEIISQLVPVOZBK-UHFFFAOYSA-N
-rxn:4:213713:223529,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cnc([C@@H]4CCCN4C(=O)OC(C)(C)C)[nH]3)cc2F)CC1,IQPBCMMSGCLTOI-QHCPKHFHSA-N
-rxn:4:213757:222931,CN(C)S(=O)(=O)N1CCC(Cc2cccc(-c3cnc(Cl)c(N4CCCCC4O)c3)n2)C1,YSGHXYFEHAFIAU-UHFFFAOYSA-N
-rxn:4:213793:223581,COC(=O)c1cccc2cc(-c3ccc(S(=O)(=O)c4nnn(-c5cc(C(F)(F)F)ccc5Cl)c4C)cc3)n(C(=O)OC(C)(C)C)c12,PQDILNYEXKLVSO-UHFFFAOYSA-N
-rxn:4:213829:225281,CC(C)(C)OC(=O)c1cc(-c2cnc(OC3CCCN(C(=O)c4ccc(F)c(F)c4F)C3)nc2)cc(Cl)n1,FTIBCYJLYVCVHY-UHFFFAOYSA-N
-rxn:4:213834:224679,CC(C)(C)OC(=O)N1CCCC(n2cc(-c3cc(Cl)cc(C(=O)N4CCCCC4)c3)cn2)C1,NZTXTOKIWVCXPC-UHFFFAOYSA-N
-rxn:4:213837:226016,CC(C)(C)OC(=O)N1CCCC(n2ccc(-c3ccc(OCC(F)(F)F)cc3Cl)n2)C1,RSIMAGQTEFDVIT-UHFFFAOYSA-N
-rxn:4:213875:223930,Cc1cc2c(cnn2C(=O)OC(C)(C)C)cc1-c1cccc(N2CCN(C(=O)OC(C)(C)C)CC2)n1,WVNQRAMILZTBCW-UHFFFAOYSA-N
-rxn:4:213875:225337,CC(C)(C)OC(=O)N1CCN(c2cccc(-c3cc(F)cc(COCC(F)(F)F)c3)n2)CC1,MHJLQLPSAPRTOL-UHFFFAOYSA-N
-rxn:4:213882:223179,CONC(=O)c1cc(-c2cnn(CC3CN(CC4CCS(=O)(=O)CC4)C3)c2)ccc1F,YYFXFUMRTPFEBB-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:4:213883:224653,Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)sc1-c1ccc(Cl)cc1OCC1CCCCO1,JSNVILRFAJLSFF-UHFFFAOYSA-N
-rxn:4:213886:224801,CCCOc1cc(-c2cncc(C3CCN(C(=O)OC(C)(C)C)CC3)n2)cc(C(F)(F)F)c1F,XLYHYLZVIMKRSR-UHFFFAOYSA-N
-rxn:4:213889:223696,CC(C)(C)OC(=O)N1CCCC(c2cc(-c3ccc(S(=O)(=O)N4CCC5(CC4)OCCO5)cc3)ncn2)C1,SQPJHIYFBRTZNJ-UHFFFAOYSA-N
-rxn:4:213891:225101,CCN(CC)C(=O)c1cc(-c2cnc(C3CCCN(C(=O)OC(C)(C)C)C3)cn2)ccc1Cl,QRWDOSHZMRRDIL-UHFFFAOYSA-N
-rxn:4:213898:223025,CCCNC(=O)c1cc(-c2cnc(OC3CCN(C(=O)C(C)(C)C)CC3)nc2)ccc1Cl,DXRRYKVMZXYRCV-UHFFFAOYSA-N
-rxn:4:213905:224398,Cc1cc(F)c(-c2ccc(S(=O)(=O)N3CCC(Cn4ccnc4)CC3)cc2)cc1S(=O)(=O)N1CCCC1,UAZPVGYQVZVCFW-UHFFFAOYSA-N
-rxn:4:213910:222909,CC(C)(C)OC(=O)Nc1cc(-c2cccnc2OC2CCN(S(=O)(=O)N3CCOCC3)C2)ccn1,ZPHRISPFVTZCAX-UHFFFAOYSA-N
-rxn:4:213928:223840,COc1ccc(-c2ccccc2C(=O)N2CCCC(Oc3ccnc(C)n3)C2)cc1S(=O)(=O)N1CCN(C)CC1,PZTIFUGDLOFHIT-UHFFFAOYSA-N
-rxn:4:213932:223279,O=C(C1CN(c2ncc(-c3cnc(C4CCCN4)nc3)cc2C(F)(F)F)CCO1)N1CCCC1,OFMHGSOKXBGERH-UHFFFAOYSA-N
-rxn:4:213933:223179,CONC(=O)c1cc(-c2cc(C(F)(F)F)cnc2N2CCCN(S(=O)(=O)C3CC3)CC2)ccc1F,FWXIRGITOFRKAU-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:4:213941:223179,CONC(=O)c1cc(-c2cnn(C3CCN(C(=O)OC(C)(C)C)CC3)c2C)ccc1F,NZACBKZLNBGZBG-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:4:213947:223179,CONC(=O)c1cc(-c2ccn(C3CCN(C(=O)OC(C)(C)C)CC3C)n2)ccc1F,OZHJCEJLANQJAK-UHFFFAOYSA-N
-rxn:4:213948:223994,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cnc(OC2CCN(CC3CCCC3)CC2)nc1,QBIQHNZPMVJIJP-UHFFFAOYSA-N
-rxn:4:213950:223279,O=S(=O)(C1CCCCC1)N1CCC(Oc2ncc(-c3cnc(C4CCCN4)nc3)cn2)C1,CGZXYEPWBACPCU-UHFFFAOYSA-N
-rxn:4:213954:223179,CONC(=O)c1cc(-c2cnccc2OC2CCN(C3CCN(C4CC4)C3=O)C2)ccc1F,JJWRPKQAFWBJQZ-UHFFFAOYSA-N
-rxn:4:213971:223179,CONC(=O)c1cc(-c2cc(C(F)(F)F)cnc2N2CCOC(C(=O)N3CCOCC3)C2)ccc1F,VDVCPHHAOOOLCE-UHFFFAOYSA-N
-rxn:4:213972:223279,O=C(C1CN(c2ncc(-c3cnc(C4CCCN4)nc3)cc2C(F)(F)F)CCO1)N1CCOCC1,UJMPMSQCBYULLY-UHFFFAOYSA-N
-rxn:4:213973:223179,CONC(=O)c1cc(-c2cc(C(F)(F)F)cnc2N2CCOC(C(=O)N3CCSCC3)C2)ccc1F,NGGXZSCVWZSGRL-UHFFFAOYSA-N
-rxn:4:213973:225870,O=C(C1CN(c2ncc(C(F)(F)F)cc2-c2cc(F)cc(N3CCOCC3)c2)CCO1)N1CCSCC1,ULTGQPPZFZIAPN-UHFFFAOYSA-N
-rxn:4:213973:228615,CSc1ccc(C)cc1-c1cc(C(F)(F)F)cnc1N1CCOC(C(=O)N2CCSCC2)C1,JTQMRXKFTBJOBK-UHFFFAOYSA-N
-rxn:4:213976:226326,CC1CN(c2cccc(-c3cccc(C4(C#N)CC4)c3F)n2)CCN1C(=O)OC(C)(C)C,KIBDJQPSVHPXOO-UHFFFAOYSA-N
-rxn:4:213980:223179,CONC(=O)c1cc(-c2ccnc(C3CCN(C(=O)OC(C)(C)C)CC3C)n2)ccc1F,ZKTJQWOQOCZXST-UHFFFAOYSA-N
-rxn:4:213981:226844,CC1CN(C(=O)OC(C)(C)C)CCC1c1ccnc(-c2ccnc(C(=O)C(F)(F)F)c2)n1,LVUWRVUPEZCKMX-UHFFFAOYSA-N
-rxn:4:213982:223591,CC1CN(C(=O)OC(C)(C)C)CCC1c1cc(-c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)ccc2F)ncn1,GBMVVSKRKRHBLS-UHFFFAOYSA-N
-rxn:4:213984:223179,CONC(=O)c1cc(-c2cncc(C3CCN(C(=O)OC(C)(C)C)CC3C)n2)ccc1F,YLIDFQVRXRCBBP-UHFFFAOYSA-N
-rxn:4:213986:223179,CONC(=O)c1cc(-c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)c(C)c2)ccc1F,JFTDMGDTLOWYFX-UHFFFAOYSA-N
-rxn:4:213988:225554,CC(C)(C)OC(=O)N1CCCN(c2ccc(-c3ccc(OC(C)(C)C)c(C#N)c3)cn2)CC1,UKJNJZAIJCTWKX-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:4:213995:225343,CC(C)Sc1ncc(C(F)(F)F)cc1-c1ccc(N2CCN(C)CC2)nc1C(=O)OC(C)(C)C,CVWBMJNCAPNGDY-UHFFFAOYSA-N
-rxn:4:213996:223179,CONC(=O)c1cc(-c2cnccc2N2CCN(C(=O)OC(C)(C)C)CC2C)ccc1F,RHKDXLSTIRPGNX-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:4:214000:226844,CC1CN(C(=O)OC(C)(C)C)CCN1c1ncc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1F,ZJEGSHRBAPJTMF-UHFFFAOYSA-N
-rxn:4:214003:223279,CN1CC(C(=O)N2CCC(Oc3ncccc3-c3cnc(C4CCCN4)nc3)CC2)CC1=O,AAQNDWUEMXWLLN-UHFFFAOYSA-N
-rxn:4:214005:222746,CC(C)(C)OC(=O)NCc1ccc(-c2cccc(C(=O)N3CCN(C(=O)N4CCOCC4)CC3)c2)cc1,VEUBCHBHLRLLTL-UHFFFAOYSA-N
-rxn:4:214005:223279,O=C(c1cccc(-c2cnc(C3CCCN3)nc2)c1)N1CCN(C(=O)N2CCOCC2)CC1,BUMFNTFMSJKTGE-UHFFFAOYSA-N
-rxn:4:214014:226457,O=C(c1cncc(-c2ccc(C3CCOC3)c(F)c2)c1)N1CCCSCC1CN1CCCC1,UIBPFWZFXOIZCN-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:4:214015:226844,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:4:214026:223179,CONC(=O)c1cc(-c2cc(C(F)(F)F)cnc2N2CCCC(C(=O)N3CCOCC3)C2)ccc1F,CMYKLIHJYFDBDB-UHFFFAOYSA-N
-rxn:4:214026:226336,N#Cc1cc(-c2cc(C(F)(F)F)cnc2N2CCCC(C(=O)N3CCOCC3)C2)c(Cl)cc1C1CC1,RTHUWRXMACOVIL-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:4:214035:224649,O=C(c1ccc(-c2cc(F)ccc2OCC2CCCCO2)cc1)N1CCC(n2nc(C3CC3)ccc2=O)CC1,ZWXUGHLNOOPWBM-UHFFFAOYSA-N
-rxn:4:214036:224724,CCN(CC)S(=O)(=O)c1ccc(C)c(-c2ccc(C3=NN(S(C)(=O)=O)C(c4ccc(N(C)C)cc4)C3)cc2)c1,IZNFAQBBRHIXCH-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:4:214046:223179,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:4:214046:223279,C[C@@H]1CN(c2ccc(-c3cnc(C4CCCN4)nc3)cn2)[C@@H](C)CN1C(=O)OC(C)(C)C,KRUGUZUZQGUBDO-QJNHQHDKSA-N
-rxn:4:214047:223279,Cc1cc(N2CCN(C(=O)OC(C)(C)C)C(C)C2)ncc1-c1cnc(C2CCCN2)nc1,FNPSTLUMVATIAK-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:4:214050:226844,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:4:214051:223279,CC(C)c1sc(-c2cnc(C3CCCN3)nc2)nc1C(=O)N1CCN(C2CCS(=O)(=O)C2)CC1,RUYDHMGDJDQCCF-UHFFFAOYSA-N
-rxn:4:214054:223279,O=C1CN(C2CCN(S(=O)(=O)c3ccccc3-c3cnc(C4CCCN4)nc3)CC2)C(=O)N1C1CC1,KSWAZUBZZAIWIW-UHFFFAOYSA-N
-rxn:4:214060:223279,CC(C)(C)OC(=O)N1CC2(CCN(c3cncc(-c4cnc(C5CCCN5)nc4)c3)CC2)C1,QKWSTUSPGYFAFZ-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:4:214070:223279,O=C(c1ccccc1-c1cnc(C2CCCN2)nc1)N1CCC(N2CC(=O)N(c3ccccc3)C2=O)CC1,UOAAGNHDSPCFAU-UHFFFAOYSA-N
-rxn:4:214073:223179,CONC(=O)c1cc(-c2ccc(N3C(=O)CC(N4CCN(Cc5ccccc5)CC4)C3=O)cc2)ccc1F,WWQACYRCWBLTNW-UHFFFAOYSA-N
-rxn:4:214078:223179,CCN1CCN(Cc2ccc(-c3ccc(F)c(C(=O)NOC)c3)cc2N2CCCCC2)CC1,SWNICNJLHPJLDF-UHFFFAOYSA-N
-rxn:4:214078:226844,CCN1CCN(Cc2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2N2CCCCC2)CC1,KHBVEVCMCYEYJF-UHFFFAOYSA-N
-rxn:4:214079:226844,CC(C)N1CCN(Cc2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2N2CCCC2)CC1,LGTXDSMDEFNRRX-UHFFFAOYSA-N
-rxn:4:214081:223179,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:4:214081:226076,COc1cc(-c2ccc(C3=NC4(CCCCCC4)N(C(=O)c4ccc(Cl)c([N+](=O)[O-])c4)C3=S)cc2)c2ccccc2c1,QNWSITSDJXKLBF-UHFFFAOYSA-N
-rxn:4:214082:223279,CC(C)N1CCN(Cc2ccc(-c3cnc(C4CCCN4)nc3)cc2N2CCOCC2)CC1,KPJSLJCWGXAHAP-UHFFFAOYSA-N
-rxn:4:214082:226842,CC(C)N1CCN(Cc2ccc(-c3cncc(C(=O)C(F)(F)F)c3)cc2N2CCOCC2)CC1,VQLZZQIJGJZUOQ-UHFFFAOYSA-N
-rxn:4:214082:226844,CC(C)N1CCN(Cc2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2N2CCOCC2)CC1,BTJOLLJZFOBDPO-UHFFFAOYSA-N
-rxn:4:214147:223279,CC(C)(C)OC(=O)N1CCn2c(-c3cnc(C4CCCN4)nc3)nc(C(F)(F)F)c2C1,YQLMYLQNFXZAEC-UHFFFAOYSA-N
-rxn:4:214180:223493,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccc2cc(C3CN(C(=O)OC(C)(C)C)C3)nn2c1,JWRAPSWGLUNSPL-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:4:214229:223179,CONC(=O)c1cc(-c2cnn(C3CC4CCC(C3)N4C(=O)OC(C)(C)C)c2)ccc1F,RDTWNLBCVDJNBE-UHFFFAOYSA-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:4:214252:223279,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:4:214292:226844,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:4:214320:223179,CONC(=O)c1cc(-c2ccc3ncn(C4CCCN(C(=O)OC(C)(C)C)CC4)c3c2)ccc1F,KIUXSPZXPKZWBG-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:4:214335:223179,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:4:214349:224592,N#CC1(c2ccc(F)c(-c3ccc(C(=O)N4CCC(Cn5nc6c(cc5=O)CCCC6)CC4)cc3)c2)CCCCC1,GEHDUDCAPYIQBZ-UHFFFAOYSA-N
-rxn:4:214360:224336,CC1CC(C)CN(S(=O)(=O)c2ccc(C(=O)N=c3sc4cc(-c5ccc(N6CCCCC6)cc5C(F)(F)F)ccc4n3C)cc2)C1,WMUFYPXHOYOETP-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:4:214379:223179,CONC(=O)c1cc(-c2ccc(C(=O)N3CCN(S(=O)(=O)c4cc5c6c(c4)CCN6C(=O)CC5)CC3)o2)ccc1F,ZBCKSCWCUFYBIO-UHFFFAOYSA-N
-rxn:4:214379:226844,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:4:214384:226844,O=C(c1cc(-c2cnc(OC3CCCN(C(=O)C45CC6CC(CC(C6)C4)C5)C3)nc2)ccn1)C(F)(F)F,ZMGAJKCLUCCGSW-UHFFFAOYSA-N
-rxn:4:214389:223279,CC(=O)N1CCc2c([nH]c3ccccc23)C12C(=O)N(CCC(C)C)c1ccc(-c3cnc(C4CCCN4)nc3)cc12,YOIJFTPRJVBFKQ-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:4:214391:223179,CONC(=O)c1cc(-c2ccc3c(c2)C2CC(c4ccc(OC)cc4)=NN2C2(CCN(Cc4ccccc4)CC2)O3)ccc1F,RECUGMOTSVDRSL-UHFFFAOYSA-N
-rxn:4:214477:223641,CCc1cc2c(cc1F)cc(-c1cn(S(=O)(=O)N(C)C)nc1C(F)(F)F)n2C(=O)OC(C)(C)C,XURPOFPLAJTPKF-UHFFFAOYSA-N
-rxn:4:214638:225588,O=[N+]([O-])c1cc(-c2ccccc2CN2CCSCC2)cnc1N1CCC(C(F)(F)F)CC1,RKNQAGLJAKULLB-UHFFFAOYSA-N
-rxn:4:214638:225882,O=[N+]([O-])c1cc(-c2cnc(Cl)c(C3CCOCC3)c2)cnc1N1CCC(C(F)(F)F)CC1,OAUFEQYYFPIMGK-UHFFFAOYSA-N
-rxn:4:214638:226583,O=[N+]([O-])c1cc(-c2ccc(CN3CCOCC3)s2)cnc1N1CCC(C(F)(F)F)CC1,JCALRTFDSSEHAG-UHFFFAOYSA-N
-rxn:4:214639:226583,O=[N+]([O-])c1cc(-c2ccc(CN3CCOCC3)s2)cnc1N1CCCC(C(F)(F)F)C1,UTKQKKJYRIZCBK-UHFFFAOYSA-N
-rxn:4:214640:226583,O=[N+]([O-])c1cncc(-c2ccc(CN3CCOCC3)s2)c1N1CCC(C(F)(F)F)CC1,ZDSDNQVNQUKSHS-UHFFFAOYSA-N
-rxn:4:214642:223712,COc1ccc(-c2ccc(N3C(=O)CC(Sc4nnc(C)s4)C3=O)cc2)cc1C12CC3CC(CC(C3)C1)C2,FBCWJDCDRITIPJ-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:4:214707:222850,N#Cc1ccc(C2CCNCC2)cc1-c1cnn(C2CCN(S(=O)(=O)C3CC3)CC2)c1,OZASLONQNNILSB-UHFFFAOYSA-N
-rxn:4:214712:222573,CN(C)S(=O)(=O)N1CCCC1c1ccc(-c2cc(F)cc(C(=O)NCC3CCCCC3)c2)cn1,KXKTZIBIXKEPJS-UHFFFAOYSA-N
-rxn:4:214729:224316,CN1CCN(C(=O)c2cc(F)cc(-c3cncc(N4CCN(CC5CC5)CC4)c3)c2)CC1,SHKCZKPFUOFOHT-UHFFFAOYSA-N
-rxn:4:214743:224627,CN(C)C1CCN(c2cccc(-c3ccc(C(=O)N4CC(N(C)C)C4)cc3)c2C#N)CC1,WGYYWCKVKVJFMR-UHFFFAOYSA-N
-rxn:4:214803:225760,CCN(C)C(=O)c1ccc(-c2ccc(N3CCOC(C(=O)N4CCCC4)C3)nc2)c(F)c1,FSBQEQPAAMHNEN-UHFFFAOYSA-N
-rxn:4:214809:223541,O=S(=O)(c1cc(F)c(F)cc1-c1cccc(N2CCN(Cc3ccccn3)CC2)c1)N1CCC2(CC1)OCCO2,FRBJXAUFLOXJGN-UHFFFAOYSA-N
-rxn:4:214818:223179,CONC(=O)c1cc(-c2cnc(N3CCN(C(=O)C4CCCO4)CC3)c(Cl)c2)ccc1F,SMCGKHURZCKVMO-UHFFFAOYSA-N
-rxn:4:214820:226771,COC(=O)c1cc(F)c(F)cc1-c1cnc(N2CCOC(C(=O)N3CCCC3)C2)c(F)c1,XMKYCOCTLCLDHC-UHFFFAOYSA-N
-rxn:4:214835:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1cc(Cl)cnc1N1CCOC(C(=O)N2CCOCC2)C1,PNTSQNBIQBIJOF-UHFFFAOYSA-N
-rxn:4:214835:223279,O=C(C1CN(c2ncc(Cl)cc2-c2cnc(C3CCCN3)nc2)CCO1)N1CCOCC1,RTPQHRYVHGQFJD-UHFFFAOYSA-N
-rxn:4:214836:223279,O=C(C1CN(c2ncc(Cl)cc2-c2cnc(C3CCCN3)nc2)CCO1)N1CCSCC1,LOFZLRFVASJJSB-UHFFFAOYSA-N
-rxn:4:214837:223279,O=C(C1CN(c2ncc(-c3cnc(C4CCCN4)nc3)cc2Cl)CCO1)N1CCSCC1,XJZIEYVWXQCRBN-UHFFFAOYSA-N
-rxn:4:214838:222465,O=C(C1CN(c2ncc(-c3cc(C4CCCCC4)nc(C4CCCNC4)c3)cc2F)CCO1)N1CCOCC1,GLLBZNSUCDAEBS-UHFFFAOYSA-N
-rxn:4:214838:222740,CC(C)c1cc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)c(F)c2)cc(C2CCCNC2)n1,LPVFJIHZZPWECQ-UHFFFAOYSA-N
-rxn:4:214838:226346,Cc1cc(OC(C)C)c(F)c(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)c(F)c2)c1,GTGKNTTWVDLAQD-UHFFFAOYSA-N
-rxn:4:214839:223179,CONC(=O)c1cc(-c2cnc(N3CCOC(C(=O)N4CCSCC4)C3)c(F)c2)ccc1F,YLLDEKMOBBHCHK-UHFFFAOYSA-N
-rxn:4:214839:225425,CCCCCOc1ccc(C)cc1-c1cnc(N2CCOC(C(=O)N3CCSCC3)C2)c(F)c1,WKDXGWPCVZGFOT-UHFFFAOYSA-N
-rxn:4:214870:223279,O=C(C1CCCN(c2ncc(Cl)cc2-c2cnc(C3CCCN3)nc2)C1)N1CCOCC1,PWOPIXMHILCGOT-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:4:214873:223279,O=C(C1CCCN(c2ncc(-c3cnc(C4CCCN4)nc3)cc2F)C1)N1CCOCC1,QVTQWEOGMAYNTQ-UHFFFAOYSA-N
-rxn:4:214873:226479,CCCCOc1nccc(-c2cnc(N3CCCC(C(=O)N4CCOCC4)C3)c(F)c2)c1Cl,UCWOJQWVSZAHHF-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:4:214874:222887,O=C(c1cccc(-c2cnc(N3CCOC(C(=O)N4CCCCC4)C3)c(F)c2)c1)N1CCNCC1,GEIIPVWFFCNCCC-UHFFFAOYSA-N
-rxn:4:214874:223279,O=C(C1CN(c2ncc(-c3cnc(C4CCCN4)nc3)cc2F)CCO1)N1CCCCC1,NKUPDPPEJLGSAY-UHFFFAOYSA-N
-rxn:4:214880:223279,Cc1cc(-c2cnc(C3CCCN3)nc2)cnc1N1CCOC(C(=O)N2CCOCC2)C1,ARWTWZKMOWVFQM-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:4:214885:223279,O=C(C1CCN(c2ncc(-c3cnc(C4CCCN4)nc3)cc2Cl)CC1)N1CCC(F)(F)CC1,PBQCUOUTUOKVBF-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:4:214885:228753,N#Cc1c(F)cccc1-c1cnc(N2CCC(C(=O)N3CCC(F)(F)CC3)CC2)c(Cl)c1,NUKUFGUGZFGTAQ-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:4:214890:223279,O=C(c1cncc(-c2cnc(C3CCCN3)nc2)c1)N1CCCN(C2CCSCC2)CC1,AUHJMMFBJOSRKR-UHFFFAOYSA-N
-rxn:4:214890:226537,CCOC(=O)c1ccc(-c2cncc(C(=O)N3CCCN(C4CCSCC4)CC3)c2)cc1Cl,OYFYXCUEFGREBH-UHFFFAOYSA-N
-rxn:4:214894:223179,CONC(=O)c1cc(-c2ccc(CN3CCN(C)CC3)c(N3CCOCC3)c2)ccc1F,YWENUACWINKIFF-UHFFFAOYSA-N
-rxn:4:214894:226844,CN1CCN(Cc2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2N2CCOCC2)CC1,ZRVPJFDIDNQLPF-UHFFFAOYSA-N
-rxn:4:214900:226089,CCN(CC)Cc1ccccc1-c1ccc(CN2CCN(C)CC2)c(N2CCCCC2)c1,SNFAPAGVRUBVDF-UHFFFAOYSA-N
-rxn:4:215028:222720,CC(C)OC(=O)N1CCn2c(cnc2-c2ccc(N3CCNCC3)cc2C(F)(F)F)C1,FOLCFVXBSYGIFO-UHFFFAOYSA-N
-rxn:4:215143:223542,CN1CCN(S(=O)(=O)c2cc(-c3ccccc3S(=O)(=O)N3CCn4nc(C5CC5)cc4C3)ccc2OC(F)(F)F)CC1,NBJOYVRPWWXSSE-UHFFFAOYSA-N
-rxn:4:215143:223841,Cc1cc(F)c(-c2ccccc2S(=O)(=O)N2CCn3nc(C4CC4)cc3C2)cc1S(=O)(=O)N1CCN(C)CC1,OWPNDYGYPIQYIZ-UHFFFAOYSA-N
-rxn:4:215148:225568,COC(=O)C(C)(C)c1ccc(-c2ncc3n2CC(C)(C)N(C(=O)OC(C)(C)C)C3)cc1,AWEOJKYGTINSCB-UHFFFAOYSA-N
-rxn:4:215170:223279,O=C(c1cncc(-c2cnc(C3CCCN3)nc2)c1)N1CC(N2C(=O)C3CC=CCC3C2=O)C1,UEGQJAPQJKUEPG-UHFFFAOYSA-N
-rxn:4:215170:228217,CC(C)c1ncc(Cl)cc1-c1cncc(C(=O)N2CC(N3C(=O)C4CC=CCC4C3=O)C2)c1,KQAOTMLTGFCUHS-UHFFFAOYSA-N
-rxn:4:215170:228360,CC(C)c1ncc(-c2cncc(C(=O)N3CC(N4C(=O)C5CC=CCC5C4=O)C3)c2)c(Cl)n1,JKPUWBZXEBRKQU-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:4:215188:223786,CN1CCN(CCCOc2ccc(-c3ccc(N4C(=O)N(c5ccc([N+](=O)[O-])cc5)C5CS(=O)(=O)CC54)cc3)cc2Cl)CC1,ZVVVNGGXRKPEHQ-UHFFFAOYSA-N
-rxn:4:215201:223279,CC(C)(C)OC(=O)N1CCC2(CC1)CCn1c(-c3cnc(C4CCCN4)nc3)cnc12,MCVIREUFYNBZDC-UHFFFAOYSA-N
-rxn:4:215216:223179,CONC(=O)c1cc(-c2ccc3nc(N4CCCC(C(=O)N5CCOCC5)C4)sc3c2)ccc1F,XXACOUHBLUGPDZ-UHFFFAOYSA-N
-rxn:4:215239:223279,O=C1C2ON(c3ccc(-c4cnc(C5CCCN5)nc4)cc3)C(c3cccnc3)C2C(=O)N1C1CCCCC1,UXWGYDFRXYKREJ-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:4:215295:223526,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3cnc4n3CCc3ccccc3C43CCN(C(=O)OC(C)(C)C)CC3)cc2)CC1,FCFDORDGTKOZNL-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:4:215297:226844,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:4:215299:226844,COc1ccc(C2=NN3C(C2)c2cc(-c4ccnc(C(=O)C(F)(F)F)c4)ccc2OC32CCN(C(C)=O)CC2)cc1,CWXLOEPZNDXTNJ-UHFFFAOYSA-N
-rxn:4:215302:226844,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:4:215309:226844,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:4:215772:223541,N#CC1CCN(c2cncc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCC4(CC3)OCCO4)c2)CC1,VNQDCBXBCBCKFM-UHFFFAOYSA-N
-rxn:4:215886:223828,CCN1CCN(c2cc(-c3cnc(N4CCC(C)CC4)c([N+](=O)[O-])c3)cc(C(F)(F)F)c2)CC1,TXKKSCZJXFITKL-UHFFFAOYSA-N
-rxn:4:215906:223823,CN1CCN(S(=O)(=O)c2cncc(-c3cnn(C4CCN(C(=O)OC(C)(C)C)CC4)c3)c2)CC1,WXVFNJHRKXPQCQ-UHFFFAOYSA-N
-rxn:4:215912:223810,Cc1cc(-c2cnc(N3CCN(S(C)(=O)=O)CC3)c(Cl)c2)cc(C)c1S(=O)(=O)N1CCC(C)CC1,GHJWMRMPMLPVPS-UHFFFAOYSA-N
-rxn:4:215932:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3cn(C)nc3CN3CCCCC3C)cc2)CC1,YJZDUJFHHGQTHR-UHFFFAOYSA-N
-rxn:4:215946:223999,CC1CCN(S(=O)(=O)c2ccc(F)c(-c3cc(N4CCCCC4)nc(C(C)C)n3)c2)CC1,IAOWDSGFMBTJPP-UHFFFAOYSA-N
-rxn:4:215957:223998,CC1CCN(S(=O)(=O)c2ccc(-c3cccnc3N3CCC(N(C)C)CC3)cc2F)CC1,PJGALGDDEMFHGW-UHFFFAOYSA-N
-rxn:4:215985:223179,CONC(=O)c1cc(-c2ccc(N3C(=O)CC(N4CCN(C)CC4)C3=O)cc2)ccc1F,CZCDBBTWHYWMKN-UHFFFAOYSA-N
-rxn:4:215990:222442,CN1CCC(N2CCN(c3ccc(-c4ccc(S(=O)(=O)NC5CCCC5)c5ccccc45)cc3)CC2)CC1,VUICHJCGIPVABG-UHFFFAOYSA-N
-rxn:4:216267:225123,Cn1ncc(C(=O)N2CCCC3CCCCC32)c1-c1ccncc1OCC1CCCCO1,IAHKFVRGHTWPCD-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:4:216356:223179,CONC(=O)c1cc(-c2ccc3c(c2)C2CC(c4ccc(OC)cc4)=NN2C2(CCN(C)CC2)O3)ccc1F,WVCFJBVBSXFPKI-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:4:217792:223529,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3csc4c(N5CCOCC5)nc(Cl)nc34)cc2F)CC1,XUVTWOVPUPYDIR-UHFFFAOYSA-N
-rxn:4:217792:223531,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3csc4c(N5CCOCC5)nc(Cl)nc34)cc2Cl)CC1,GIMMJXVVVZCKPP-UHFFFAOYSA-N
-rxn:4:217792:223536,CC(C)(C)OC(=O)N1CCN(c2cc(-c3csc4c(N5CCOCC5)nc(Cl)nc34)cc(F)c2F)CC1,ATFUGKOCJHSKJF-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:4:217907:226844,CN1CCC2(CC1)Oc1ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc1C1CC(c3ccc(Cl)cc3)=NN12,UROXGBFYEVIDQZ-UHFFFAOYSA-N
-rxn:4:218567:224162,CN(CC1CN(C(=O)OC(C)(C)C)C1)c1cnc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CC3)cn1,MPEGSZDODNBIKG-UHFFFAOYSA-N
-rxn:4:218578:223279,CC(C)(C)OC(=O)N1CCC(CC#N)(n2cc(-c3cnc(C4CCCN4)nc3)cn2)CC1,SVPWJMDHHJUYOG-UHFFFAOYSA-N
-rxn:4:218578:225876,CC(C)(C)OC(=O)N1CCC(CC#N)(n2cc(-c3cc(Cl)ccc3N3CCOCC3)cn2)CC1,QWJAYIFULQQXIW-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:4:218615:225918,CCOC(=O)c1cc(-c2cnc(N(C)CC3CCN(C(=O)OC(C)(C)C)C3)cn2)c(F)cc1Cl,BMOFIWCMDMJSQS-UHFFFAOYSA-N
-rxn:4:218621:223279,O=C1CCCC(=O)N1CCS(=O)(=O)N1CCC(Oc2ncc(-c3cnc(C4CCCN4)nc3)cn2)C1,KNDPYZUFTPPPJU-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:4:218641:223179,CONC(=O)c1cc(-c2ccccc2CCC(=O)N2CCC(S(=O)(=O)c3nncn3C)CC2)ccc1F,VAIMVIUJVMQVIC-UHFFFAOYSA-N
-rxn:4:218652:223279,CN(CC1CCN(C(=O)OC(C)(C)C)CC1)c1cnc(-c2cnc(C3CCCN3)nc2)cn1,FGOCJDWQLTUITL-UHFFFAOYSA-N
-rxn:4:218656:223179,CONC(=O)c1cc(-c2cnc(OCC3CCCN(C(=O)c4cn(C)c(=O)cc4OC)C3)nc2)ccc1F,MHHMIOGOHLLYRT-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:4:218662:222833,CC(C)CCC(=O)Nc1cccc(-c2cnc(OCC3CCN(C(=O)c4cccc(N(C)C)c4)CC3)nc2)c1,ASORKQVFFFXSJS-UHFFFAOYSA-N
-rxn:4:218675:223179,CONC(=O)c1cc(-c2cncc(C(=O)N3CCC(COc4cc(C5CCC5)ncn4)CC3)c2)ccc1F,BVQIEYRSULFYTQ-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:4:218682:223179,CONC(=O)c1cc(-c2cnc(OCC3CCCN(C(=O)C4CCN(C(C)=O)CC4)C3)nc2)ccc1F,FAIJOAVCGGBBOA-UHFFFAOYSA-N
-rxn:4:218682:227328,CC(=O)N1CCC(C(=O)N2CCCC(COc3ncc(-c4cc(F)cc(OC(C)C)c4)cn3)C2)CC1,ABWWCYAZVOQKEQ-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:4:218700:223179,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:4:218700:226844,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:4:218712:223179,CONC(=O)c1cc(-c2c(C)nn(C(C)CC(=O)N3CCN(S(=O)(=O)c4ccc(C)cc4C)CC3)c2C)ccc1F,ZGJBXKQNDMMXOO-UHFFFAOYSA-N
-rxn:4:218714:226844,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:4:218754:226844,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:4:218775:224931,CCN(CC)c1cc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCCCCC4)CC3)c2)cc(C2CC2)n1,NTXDQOOUVCSIGQ-UHFFFAOYSA-N
-rxn:4:218777:223001,Cc1nn(C(C)CC(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)c(C)c1-c1cc(C2CCCNC2)ccc1F,GGGBUFSDJYILPK-UHFFFAOYSA-N
-rxn:4:218777:223145,Cc1nn(C(C)CC(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)c(C)c1-c1ccc(C2CCC(=O)N2)cc1,XHRGPGOKQAQTPH-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:4:218787:226844,CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C2CCCCC2)c1=NC(=O)c1cccc(-c2ccnc(C(=O)C(F)(F)F)c2)c1,MXRUFVMUXUEYRW-UHFFFAOYSA-N
-rxn:4:218788:223279,CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C2CCCCC2)c1=NC(=O)c1ccccc1-c1cnc(C2CCCN2)nc1,URGXUVUSAGCOJM-UHFFFAOYSA-N
-rxn:4:218813:222905,CN(CC1CN(c2ncc(-c3cccnc3NC(=O)OC(C)(C)C)cn2)C1)C(=O)C1CC1,DAYOEODNCZCZQI-UHFFFAOYSA-N
-rxn:4:218813:224759,CN(CC1CN(c2ncc(-c3cc(F)cc(C(=O)N4CCOCC4)c3)cn2)C1)C(=O)C1CC1,XAPSSTZRFDFGNV-UHFFFAOYSA-N
-rxn:4:218815:223179,CONC(=O)c1cc(-c2cnn(CC3CN(C(=O)CN4C(=O)CCC4=O)C3)c2)ccc1F,XJMBURMUTPWWSV-UHFFFAOYSA-N
-rxn:4:218846:222814,CC(C)(C)OC(=O)Nc1nccc(-c2cnc(OC3CCN(C(=O)CN4C(=O)CCC4=O)C3)nc2)c1F,BFVLVCRDZKLJDY-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:4:218917:223279,CC(C)(C)OC(=O)N1CCN(C(=O)c2ncc(-c3cnc(C4CCCN4)nc3)cn2)CC1,BICCIOITQUFYSU-UHFFFAOYSA-N
-rxn:4:218917:225561,CC(C)(C)OC(=O)c1ccccc1-c1cnc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)nc1,UNBVBTLLKCUWOR-UHFFFAOYSA-N
-rxn:4:218919:223872,CCN(C(=O)c1cccc(-c2cnccc2OC2CCN(C(=O)Cn3cnc(C)cc3=O)C2)c1)C1CCCCC1,VBDIEDXMHZUIKS-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:4:218948:223279,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ncc(-c3cnc(C4CCCN4)nc3)cn2)CC1,MTKPYTDGTIRYFN-UHFFFAOYSA-N
-rxn:4:218963:223279,Cn1ncc(-c2cnc(C3CCCN3)nc2)c1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1,NBNSDZKXYIQJHV-UHFFFAOYSA-N
-rxn:4:218964:223179,CONC(=O)c1cc(-c2cnn(CC3CN(C(=O)C4CCN(C(C)=O)CC4)C3)c2)ccc1F,AGURZLRAASHLEF-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:4:218982:223179,CONC(=O)c1cc(-c2cncc(C(=O)N3CCC(N4CC(=O)N(CC(F)(F)F)C4=O)CC3)c2)ccc1F,XJBXERQGBLUHAZ-UHFFFAOYSA-N
-rxn:4:218982:223279,O=C(c1cncc(-c2cnc(C3CCCN3)nc2)c1)N1CCC(N2CC(=O)N(CC(F)(F)F)C2=O)CC1,BXCOXPFKTUKPRX-UHFFFAOYSA-N
-rxn:4:218983:225172,COc1ccc(-c2cc(CN3CCOCC3)ccc2F)c(C(=O)N2CCN(c3ccc(C(F)(F)F)nn3)CC2)c1,AEQDSSSYWJFYCC-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:4:218998:223179,CONC(=O)c1cc(-c2cnc(OCC3CCCN(C(=O)N4CCOCC4)C3)nc2)ccc1F,HBJQHGGRFMEIAT-UHFFFAOYSA-N
-rxn:4:218999:223748,C[C@H]1CN(C(=O)OC(C)(C)C)CCN1c1ncc(-c2cc(N3CCCCC3)cc(N3CCCCC3)c2)cc1C#N,UUOCLLZQKBTBJW-DEOSSOPVSA-N
-rxn:4:218999:225233,CC1CCCN(c2cc(-c3cnc(N4CCN(C(=O)OC(C)(C)C)C[C@@H]4C)c(C#N)c3)cnc2Cl)C1,JWJKOYFYZUTQFB-GGYWPGCISA-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:4:219011:223652,COc1ccc(Cl)c2cc(-c3cnc(N(C)C4CCN(C(=O)OC(C)(C)C)CC4)cn3)n(C(=O)OC(C)(C)C)c12,XKTFGWJPQPVIFR-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:4:219013:223279,CC1CN(c2c(-c3cnc(C4CCCN4)nc3)cncc2[N+](=O)[O-])CCN1C(=O)OC(C)(C)C,GVQKYGQLKCXYTH-UHFFFAOYSA-N
-rxn:4:219015:223179,CONC(=O)c1cc(-c2ccc(OC)cc2C(=O)N2CCC(S(=O)(=O)c3nncn3C)CC2)ccc1F,BJULRZRODBTTDG-UHFFFAOYSA-N
-rxn:4:219016:223179,CONC(=O)c1cc(-c2cncc(C(=O)N3CCCC(N(C)c4ncccc4C(F)(F)F)C3)c2)ccc1F,PTTZJMTYQTYWOU-UHFFFAOYSA-N
-rxn:4:219026:223279,CC1CN(C(=O)c2c(-c3cnc(C4CCCN4)nc3)cnn2C)CCN1C(=O)OC(C)(C)C,UXBFCWTUYDBYNB-UHFFFAOYSA-N
-rxn:4:219026:226844,CC1CN(C(=O)c2c(-c3ccnc(C(=O)C(F)(F)F)c3)cnn2C)CCN1C(=O)OC(C)(C)C,NTEFDTVAEMBRLH-UHFFFAOYSA-N
-rxn:4:219027:223179,CONC(=O)c1cc(-c2cnn(C)c2C(=O)N2CCN(C(=O)OC(C)(C)C)CC2C)ccc1F,IKVHUKBMEHGGDS-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:4:219067:223279,O=C(C1CC(=O)N(c2cccc(-c3cnc(C4CCCN4)nc3)c2)C1)N1CCC(Cn2ccnc2)CC1,HZQCOPNKFWRXMF-UHFFFAOYSA-N
-rxn:4:219126:224625,CC(C)Oc1cc(-c2ccccc2CCC(=O)N2C3CCC2CC(n2cncn2)C3)cc(Cl)c1OC(C)C,FSOZWHQBZLMEHB-UHFFFAOYSA-N
-rxn:4:219136:223279,COc1ccc(N2C(=O)C3N=NN(Cc4cc(OC)ccc4-c4cnc(C5CCCN5)nc4)C3C2=O)cc1,AFVCEDKGLAQSBD-UHFFFAOYSA-N
-rxn:4:219142:223179,CONC(=O)c1cc(-c2cc(C#N)c3[nH]nc(C4CCN(C(=O)OC(C)(C)C)CC4)c3c2)ccc1F,YSPDDRUDPLHXJH-UHFFFAOYSA-N
-rxn:4:219161:223179,CONC(=O)c1cc(-c2cnn3c(OC)cc(C4CCCN(C(=O)OC(C)(C)C)C4)nc23)ccc1F,RLTBVZYNYWTRDB-UHFFFAOYSA-N
-rxn:4:219161:223279,COc1cc(C2CCCN(C(=O)OC(C)(C)C)C2)nc2c(-c3cnc(C4CCCN4)nc3)cnn12,PFZHWFMSNZEAAS-UHFFFAOYSA-N
-rxn:4:219161:226844,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:4:219343:223983,CCN1CCN(S(=O)(=O)c2ccccc2-c2cnccc2OC2CCN(c3nnc(C4CC4)s3)C2)CC1,JGJBOIYCNXBGML-UHFFFAOYSA-N
-rxn:4:219371:224278,CC(C)(C)OC(=O)N1CCC(n2cnnc2-c2cnc3c(ccn3C(=O)OC(C)(C)C)c2)CC1,HKDUTYGOTUTNAS-UHFFFAOYSA-N
-rxn:4:219383:223889,CC(C)(C)OC(=O)N1CCc2cccc(-c3cnc(OCC4CCCN(c5ccncc5Cl)C4)nc3)c2C1,DRGMYBMZVBAHJK-UHFFFAOYSA-N
-rxn:4:219403:223179,CONC(=O)c1cc(-c2cnn(CC3CN(C4CCN(C5CC5)C4=O)C3)c2)ccc1F,MSTMDRVBENSLQI-UHFFFAOYSA-N
-rxn:4:219403:225754,COC(=O)c1cc(-c2cnn(CC3CN(C4CCN(C5CC5)C4=O)C3)c2)c(C2CC2)cn1,ZHVHHOJYHYPQSY-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:4:219404:223939,CC(C)(C)OC(=O)N1CCN(c2cncc(-c3ccc4c(c3)N(C(=O)OC(C)(C)C)CCO4)n2)CC1,MMAUEBVOKCGPTB-UHFFFAOYSA-N
-rxn:4:219407:223507,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3ccccc3S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cn2)CC1,MKAHRJDWDKXKLI-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:4:219436:227270,CCOCc1ccc(F)c(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)c(C#N)c2)c1,LOTBPURKRNQEMU-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:4:219462:223279,O=S(=O)(N1CCCC1)N1CCCC(Oc2ncc(-c3cnc(C4CCCN4)nc3)cn2)C1,HSGBRBQZVZEQQL-UHFFFAOYSA-N
-rxn:4:219462:227229,CCOc1cc(-c2cnc(OC3CCCN(S(=O)(=O)N4CCCC4)C3)nc2)ccc1C#N,MHOGBWXBIZOYOW-UHFFFAOYSA-N
-rxn:4:219471:223279,CSc1ncc(-c2cnc(C3CCCN3)nc2)c(N2CCOC(C(=O)N3CCCC3)C2)n1,CYYJJDIJZLASPA-UHFFFAOYSA-N
-rxn:4:219473:223279,COc1nc(N2CCOC(C(=O)N3CCCC3)C2)ncc1-c1cnc(C2CCCN2)nc1,WJWHNFWDEADCIF-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:4:219497:223179,CONC(=O)c1cc(-c2cnc(N3CCOC(C(=O)N4CCCCC4)C3)c(C#N)c2)ccc1F,SYDPGKIAFKUYST-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:4:219500:223279,N#Cc1cc(-c2cnc(C3CCCN3)nc2)cnc1N1CCCC(C(=O)N2CCSCC2)C1,DUTZDTKVIZBLBN-UHFFFAOYSA-N
-rxn:4:219500:226510,CC(C)COc1nccc(-c2cnc(N3CCCC(C(=O)N4CCSCC4)C3)c(C#N)c2)c1Cl,AJVHFMSCWBMAOX-UHFFFAOYSA-N
-rxn:4:219515:223279,CC(C)(C)OC(=O)N1CCC2(CC1)CN(c1nnc(-c3cnc(C4CCCN4)nc3)s1)C2,JUKJVUCXCGOXQE-UHFFFAOYSA-N
-rxn:4:219516:223279,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:4:219529:226844,COc1nc(N2CCCC(C(=O)N3CCOCC3)C2)ncc1-c1ccnc(C(=O)C(F)(F)F)c1,LMOLKOXWXBUVCG-UHFFFAOYSA-N
-rxn:4:219530:225761,CC(C)Cc1ccc(-c2cnc(OC3CCN(C4CCN(C5CC5)C4=O)CC3)nc2)c([N+](=O)[O-])c1,KHANBTBCVATUST-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:4:219532:227543,COC(=O)c1cc(-c2cnc(N3CCCC(C(=O)N4CCSCC4)C3)nc2OC)ccc1F,QUADGLKDIBLPTI-UHFFFAOYSA-N
-rxn:4:219533:223279,CSc1ncc(-c2cnc(C3CCCN3)nc2)c(N2CCCC(C(=O)N3CCOCC3)C2)n1,JXYVFCDWQBQJIP-UHFFFAOYSA-N
-rxn:4:219534:225990,CCCCn1nc(C(F)(F)F)cc1-c1cncc(C(=O)N2CCC(n3nc(C4CC4)ccc3=O)CC2)c1,FPDDNEXWSZUSMO-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:4:219553:223179,CONC(=O)c1cc(-c2ccc(Cl)c(C(=O)N3CCC(c4nn(C)c(=O)n4C4CC4)CC3)c2)ccc1F,VODJJUGVPJXYNE-UHFFFAOYSA-N
-rxn:4:219553:224197,CCN1CCN(Cc2ccc(-c3ccc(Cl)c(C(=O)N4CCC(c5nn(C)c(=O)n5C5CC5)CC4)c3)cc2F)CC1,HVAMDLYCXHCVSI-UHFFFAOYSA-N
-rxn:4:219562:222729,CCCc1cc(-c2cncc(C(=O)N3CCC(N4CC(=O)N(c5ccccc5)C4=O)CC3)c2)cc(C2CCCNC2)n1,ASQADHRULPZQDS-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:4:219565:224326,Cc1cc(C)c(C#N)c(N2CCCN(S(=O)(=O)c3ccc(-c4ccc(S(=O)(=O)N5CCCCC5)c(C)c4)cc3)CC2)n1,AWXMNAGCNCYACI-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:4:219590:222543,CC=CCn1c(=O)c2c(nc(-c3ccc(C4(NC(=O)OC(C)(C)C)CC4)cc3)n2CC(C)=O)n(C)c1=O,GIGPGQFJFDTEPL-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:4:219650:223179,CONC(=O)c1cc(-c2cc(CN3N=NC4C(=O)N(c5ccc(Cl)cc5)C(=O)C43)ccc2OC)ccc1F,IADAVNMIEURVHS-UHFFFAOYSA-N
-rxn:4:219661:224370,CC(=O)C(C)n1c(-c2cc(C(F)(F)F)ccc2C(=O)OC(C)C)nc2c1c(=O)n(Cc1cccc(Cl)c1)c(=O)n2C,SUDHDSIFAFKQBI-UHFFFAOYSA-N
-rxn:4:219687:224326,Cc1cc(-c2ccc3nnn(C4CCN(C(=O)OC(C)(C)C)CC4)c3c2)ccc1S(=O)(=O)N1CCCCC1,XTRUADYQVKQMCL-UHFFFAOYSA-N
-rxn:4:219691:223106,CC(C)(C)OC(=O)N1CCCC(c2cc(Cl)n3ncc(-c4cnc(N5CCC(O)C5)nc4Cl)c3n2)C1,XMPJKNKCLYUDIH-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:4:219706:223179,CONC(=O)c1cc(-c2cc3ncnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3cc2Cl)ccc1F,RFGZIUXNWFLDEX-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:4:219762:223179,CONC(=O)c1cc(-c2ccc(C3=C(C(C)=O)Sc4nnc(C5CCCCC5)n4N3C(C)=O)cc2)ccc1F,POQBDJFUYWNDMI-UHFFFAOYSA-N
-rxn:4:219762:223906,COc1ccc(CSc2ccc(-c3ccc(C4=C(C(C)=O)Sc5nnc(C6CCCCC6)n5N4C(C)=O)cc3)cc2F)cc1,XZOYHCCSXLAJMH-UHFFFAOYSA-N
-rxn:4:219766:226438,O=C(c1cncc(-c2cnc(C3CCCC3)cc2F)c1)N1CCC(Cn2nc3c(cc2=O)CCCC3)CC1,GOGBXOGWCXDCAS-UHFFFAOYSA-N
-rxn:4:219766:226529,CCOC(=O)c1ccc(Cl)c(-c2cncc(C(=O)N3CCC(Cn4nc5c(cc4=O)CCCC5)CC3)c2)c1,QPVLSHIBIBZNTH-UHFFFAOYSA-N
-rxn:4:219902:223602,CC(C)N1CCN(c2c(-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3Cl)cncc2[N+](=O)[O-])CC1,GZMOILWYFYIKMV-UHFFFAOYSA-N
-rxn:4:219931:223841,Cc1cc(F)c(-c2cnc(N3CCCN(S(=O)(=O)C4CC4)CC3)nc2)cc1S(=O)(=O)N1CCN(C)CC1,WOUUAMHEFAIYIN-UHFFFAOYSA-N
-rxn:4:219934:225320,O=C(C1CN(c2ncc(-c3ccc(N4CCOCC4)c(F)c3F)cn2)CCO1)N1CCCC1,ZQAFMTZAMYAAHD-UHFFFAOYSA-N
-rxn:4:219965:224349,Cc1ncnc(N2CCN(C(=O)c3ccccc3-c3ccc(N4CCCCC4)c(C(F)(F)F)c3)CC2)c1F,MNEUVPIIGYLOFJ-UHFFFAOYSA-N
-rxn:4:219976:222522,COc1ccc(-c2cccc(CN3CCN(c4ccc(C)nn4)CC3)c2)cc1S(=O)(=O)N1CCC(O)CC1,SQOQLCHKIYSRHB-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:4:219991:223279,CN1C(=O)CN(C2CCN(C(=O)c3cncc(-c4cnc(C5CCCN5)nc4)c3)CC2)C1=O,SXSPKZBWNQWFBF-UHFFFAOYSA-N
-rxn:4:219991:225361,CN1C(=O)CN(C2CCN(C(=O)c3cncc(-c4cn(C5CCCC5)nc4C(F)(F)F)c3)CC2)C1=O,HGDHRMYNOYVJGG-UHFFFAOYSA-N
-rxn:4:219998:223279,O=C(C1CCN(c2ncc(-c3cnc(C4CCCN4)nc3)cn2)CC1)N1CCC(F)(F)CC1,QBXRQYZDIORBGW-UHFFFAOYSA-N
-rxn:4:220041:223493,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1nnn2c1CN(C(=O)OC(C)(C)C)CC2,WUFPAJBOIXFIFL-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:4:220136:222621,CC(C)Cc1cc(-c2ccc3ncnc(N4CCN(S(=O)(=O)C5CC5)CC4)c3c2)cc(C2CCCNC2)n1,OVFHSEHWWRWFHK-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:4:220177:223530,CC(C)(C)OC(=O)N1CCN(Cc2ccc(F)cc2-c2cccc(-c3noc(-c4ncn5c4COC(c4cccc(F)c4)C5)n3)c2)CC1,NXPMOKVOHNPVIH-UHFFFAOYSA-N
-rxn:4:220205:223179,CONC(=O)c1cc(-c2ccc3nc(N4CCOC(C(=O)N5CCOCC5)C4)ncc3c2)ccc1F,PXYBUPBGRCNEAA-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:4:220209:225744,CC(C)(C)OC(=O)c1cncc(-c2ccccc2S(=O)(=O)N2CCCc3cnc(N4CCOCC4)nc32)c1,FVIZFEXOJARZCI-UHFFFAOYSA-N
-rxn:4:220222:224391,Cc1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2C)cc1C(=O)N1CCN(c2cc3c(nn2)CCC3)CC1,YKNXYFJYTMTLTN-UHFFFAOYSA-N
-rxn:4:220225:222791,CC(C)(C)OC(=O)Nc1ccc(Cl)c(-c2ccc3ncnc(N4CCCC(C(=O)N5CCOCC5)C4)c3c2)c1,ULNNXVBAXZCFBP-UHFFFAOYSA-N
-rxn:4:220270:222523,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc3c(c2)c2nc4ccccc4nc2n3CCN2CCOCC2)c(C(F)(F)F)c1,BRBAJAGDHUPREA-UHFFFAOYSA-N
-rxn:4:220414:222628,Cc1c(-c2cc(C3CCC3)nc(C3CCCNC3)c2)cnc(N2CCN(C)CC2)c1[N+](=O)[O-],JKXDVVBXCIEBMV-UHFFFAOYSA-N
-rxn:4:220811:223526,CN1CCN(c2ccc(-c3ccc(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)cc3)nn2)CC1,WCDWEBKXWLNOKW-UHFFFAOYSA-N
-rxn:4:221098:225581,Cn1cc(C(=O)N2CCC(COc3ncc(-c4ccc(CN5CCOCC5)cc4)cn3)CC2)c(C(F)F)n1,QOIUMOLZJFHQOO-UHFFFAOYSA-N
-rxn:4:221101:224396,COc1nn(C)cc1C(=O)N1CCCC(COc2ncc(-c3ccc(S(=O)(=O)N4CCOCC4)c(C)c3)cn2)C1,FSAUQKXGHYKHDS-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:4:221107:226844,Cc1ncn(CC(=O)N2CCCC(COc3ncc(-c4ccnc(C(=O)C(F)(F)F)c4)cn3)C2)c(=O)c1C,GLQAXLOVGWCYEV-UHFFFAOYSA-N
-rxn:4:221108:223179,CONC(=O)c1cc(-c2cnc(OCC3CCN(C(=O)Cn4cnc(C)c(C)c4=O)CC3)nc2)ccc1F,PSUVGOVPJRBLCW-UHFFFAOYSA-N
-rxn:4:221111:223179,CONC(=O)c1cc(-c2cccc(N3CC(C(=O)N4CCN(CCn5ccnc5)CC4)CC3=O)c2)ccc1F,AIYGYHPZMHAXHJ-UHFFFAOYSA-N
-rxn:4:221111:223279,O=C(C1CC(=O)N(c2cccc(-c3cnc(C4CCCN4)nc3)c2)C1)N1CCN(CCn2ccnc2)CC1,KFVUUOLNRJMWMP-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:4:221121:223179,CONC(=O)c1cc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)ccc1F,YIILNVRNTIPBDK-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:4:221169:224377,CN1CCN(S(=O)(=O)c2ccc(-c3cnc(OCC4CCCN(S(=O)(=O)c5cnn(C)c5)C4)nc3)cc2)CC1,DCSFBPLJLUKWQS-UHFFFAOYSA-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:4:221182:223279,COCCN1C(=O)CN(C2CCN(c3ncc(-c4cnc(C5CCCN5)nc4)cn3)CC2)C1=O,XGBMPCNJPRXEKW-UHFFFAOYSA-N
-rxn:4:221182:226419,COCCN1C(=O)CN(C2CCN(c3ncc(-c4ccc(N5CCCC5)cc4Cl)cn3)CC2)C1=O,WKCAGAFUMJCKNM-UHFFFAOYSA-N
-rxn:4:221182:227407,COCCN1C(=O)CN(C2CCN(c3ncc(-c4cc(Cl)cnc4C(C)(C)C)cn3)CC2)C1=O,KJMNDFSRKAWBGN-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:4:221232:223179,CONC(=O)c1cc(-c2cnc(OCC3CCCN(c4nc5c(cc4C#N)COCC5)C3)nc2)ccc1F,UVQNRQOXRCPWCU-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:4:221269:226844,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:4:221323:224250,Cc1nc(N2CC(Cn3cc(-c4cc(C(=O)N5CCCCC5C)ccc4F)cn3)C2)cc(C(F)(F)F)n1,OUKPNLQRCVTBPI-UHFFFAOYSA-N
-rxn:4:221382:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3cncc(C(=O)N4CCN(c5ccc(C6CC6)nn5)CC4)c3)cc21,ZPIRJRMFXZIMCW-UHFFFAOYSA-N
-rxn:4:221404:222722,CN(C)c1nccc(N2CCN(Cc3cccc(-c4cccc(S(=O)(=O)N5CCC(O)CC5)c4)c3)CC2)n1,AOZIMZGSCKXNMA-UHFFFAOYSA-N
-rxn:4:221412:223575,Cc1nc(C)c(C)c(OCC2CCN(c3ncc(-c4ccccc4CN4CCN(C(=O)OC(C)(C)C)CC4)cn3)CC2)n1,RSUAWKVZBHIHHR-UHFFFAOYSA-N
-rxn:4:221413:225611,COc1cc(N2CCCC2)ccc1-c1ccc(C(=O)N2CCN(c3cc(N4CCOCC4)ncn3)CC2)o1,VJTZYESXTLDORJ-UHFFFAOYSA-N
-rxn:4:221416:223179,CONC(=O)c1cc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCCCC5)nn4)CC3)o2)ccc1F,UXQNIJSDLIOFMN-UHFFFAOYSA-N
-rxn:4:221422:222833,CC(C)CCC(=O)Nc1cccc(-c2ccc(Cl)c(C(=O)N3CCN(c4ccc(N5CCOCC5)nn4)CC3)c2)c1,AGMKBRXLNQZWHA-UHFFFAOYSA-N
-rxn:4:221429:222833,CC(C)CCC(=O)Nc1cccc(-c2ccc(CN3CCN(c4nccc(N5CCOCC5)n4)CC3)cc2)c1,ZSFOEGLQOKWCOE-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:4:221433:224614,Cc1cc(N2CCCC2)nc(N2CCN(C(=O)c3ccc(-c4ccc(N(C)C(=O)OC(C)(C)C)cc4)cc3)CC2)n1,XBIVASPTXOFDSO-UHFFFAOYSA-N
-rxn:4:221433:226770,COC(=O)c1cc(-c2ccc(C(=O)N3CCN(c4nc(C)cc(N5CCCC5)n4)CC3)cc2)c(F)cc1Cl,AAYVTAWTAIXHSC-UHFFFAOYSA-N
-rxn:4:221434:223179,CONC(=O)c1cc(-c2ccccc2C(=O)N2CCN(c3ccc(N4CCCCC4)nn3)CC2)ccc1F,IGFFLYJLIFXVNI-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:4:221437:226844,O=C(c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)o1)N1CCN(c2ccc(N3CCCCCC3)nn2)CC1,JTJLQPQUDZBUEY-UHFFFAOYSA-N
-rxn:4:221438:224586,CC1CCN(Cc2ccc(F)cc2-c2ccc(C(=O)N3CCN(c4ccc(N5CCCCC5C)nn4)CC3)o2)CC1,SKGARXCAYKKNOM-UHFFFAOYSA-N
-rxn:4:221453:225286,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4cc(F)ncc4C(=O)OC(C)(C)C)cc3)CC2)n1,RZXHTPVOPAVAHJ-UHFFFAOYSA-N
-rxn:4:221455:223179,CONC(=O)c1cc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCCCCC5)nn4)CC3)cc2)ccc1F,HBJBUDZTXWKRGB-UHFFFAOYSA-N
-rxn:4:221628:223533,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cnc(N4CCC(c5nnc(C6CC6)o5)CC4)nc3)c(F)c2)CC1,IUUDQJXACSGCFD-UHFFFAOYSA-N
-rxn:4:221641:223608,O=c1ccc(C2CC2)nn1C1CCN(c2ncc(-c3ccc(OC(F)(F)F)c(S(=O)(=O)N4CCOCC4)c3)cn2)CC1,RPCAXOOAEGLLJR-UHFFFAOYSA-N
-rxn:4:221731:223974,CC1CCN(c2ccc(-c3cnc(N4CCC(Cn5nc6c(cc5=O)CCCC6)CC4)nc3)c(C(F)(F)F)c2)CC1,ANMBHGCNRQJUFJ-UHFFFAOYSA-N
-rxn:4:221738:223498,CCCn1c(=O)c2c(nc3n(-c4ccc(-c5ccc(C(=O)N6CCCN(C(=O)OC(C)(C)C)CC6)cc5)cc4)c(C)cn23)n(C)c1=O,XZMSHTJAXRDFRZ-UHFFFAOYSA-N
-rxn:4:221780:223179,CONC(=O)c1cc(-c2ccc(Cn3c(=O)c4c(nc5n4CCCN5C4CCCCC4)n(C)c3=O)cc2)ccc1F,UXXAMPRQODWQPN-UHFFFAOYSA-N
-rxn:4:221920:225037,CCOc1ccc(-c2ccc(Oc3ccccc3)cc2F)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N3CCN(C)CC3)n2)CC1,LSVGNSUJGZNVFK-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:4:221926:223179,CCOc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5cccc(-c6ccc(F)c(C(=O)NOC)c6)c5)no4)C3C2=O)cc1,CRBQBHFMCIGGMD-UHFFFAOYSA-N
-rxn:4:221985:223773,COc1cccc2cc(-c3cc4c(cn3)nc(-c3cnn(C)c3)n4[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n(C(=O)OC(C)(C)C)c12,RQKZZRGKOSDAJD-HSZRJFAPSA-N
-rxn:4:221986:226486,CCN1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(-c3ccc(OCC(=O)OC)cc3)cc2)CC1,QBSIDHPBYMRHJF-UHFFFAOYSA-N
-rxn:4:222039:223279,O=C(c1cc(-c2cnc(C3CCCN3)nc2)ccc1-n1cnnn1)N1CCN(C2CCS(=O)(=O)C2)CC1,WXELDRYZTVRPSM-UHFFFAOYSA-N
-rxn:4:222054:222612,CN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(S(=O)(=O)N6CCC(O)CC6)ccc5F)o4)CC3)nn2)CC1,KYQDZDXAVNDONH-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:4:222062:223039,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(F)c(C(=O)NC(C)C)c4)cc3)CC2)n1,GYRQWBGCRZQKEH-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:4:222138:223279,Cn1c(=O)n(CCN2CCOCC2)c(=O)c2c1nc1n2CCCN1c1ccc(-c2cnc(C3CCCN3)nc2)cc1,HVCWXXGVGGZOKC-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:4:222143:226844,Cn1c(=O)n(CCN2CCCCC2)c(=O)c2c1nc1n2CCCN1c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1,HVBHQKRIUOUMFH-UHFFFAOYSA-N
-rxn:4:222167:222701,Cc1nc(C2CC2)nc(N2CCN(c3ncc(-c4cc(C5CCCNC5)cc(C(F)(F)F)c4)cn3)CC2)c1C,UMDWPVLWLDOLQM-UHFFFAOYSA-N
-rxn:4:222167:224760,Cc1nc(C2CC2)nc(N2CCN(c3ncc(-c4ccc(S(=O)(=O)N5CCCCC5)cc4)cn3)CC2)c1C,MQYSHKFNSZKPGS-UHFFFAOYSA-N
-rxn:4:222333:222852,OC1CCN(Cc2cccc(-c3cnc(N4CCN(c5ccc(N6CCOCC6)nn5)CC4)nc3)c2)CC1,WYBSBGJLZVBETA-UHFFFAOYSA-N
-rxn:4:222334:223999,Cc1cc(N2CCCC2)nc(N2CCN(c3ncc(-c4cc(S(=O)(=O)N5CCC(C)CC5)ccc4F)cn3)CC2)n1,AXKZOPMCJBYMKU-UHFFFAOYSA-N
-rxn:4:222335:223671,Cc1cc(N2CCN(c3ncc(-c4ccnc(N5CCN(C(=O)OC(C)(C)C)CC5)c4)cn3)CC2)nc(N2CCCC2)n1,BSVUOGWQGKZPHF-UHFFFAOYSA-N
-rxn:4:222337:222944,Cc1cc(N2CCOCC2)nc(N2CCN(c3ncc(-c4ccc(S(=O)(=O)NC5CC5)cc4F)cn3)CC2)n1,VEMKTXQOMLBXKD-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:4:222387:223787,CN1CCN(CCCOc2ccc(-c3cnc(N4CCOC(Cn5nnc6ncc(-c7cnn(C)c7)nc65)C4)nc3)cc2F)CC1,XZNFGODHKGNMSR-UHFFFAOYSA-N
-rxn:4:222523:176262,CC(C)C(=O)Oc1ccc2c(c1)OC(=Cc1cccc(-c3ccc(S(=O)(=O)NC(C)(C)C)cc3C(F)(F)F)c1)C2=O,YXPADBSNOODXNV-UHFFFAOYSA-N
-rxn:4:222523:185636,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc(C(=O)COC(=O)c3c4c(nc5ccccc35)CCCC4)cc2)c(C(F)(F)F)c1,CNZDPTCUIOETSU-UHFFFAOYSA-N
-rxn:4:222602:175798,COC(=O)c1cc(-c2ccccc2C(F)(F)F)ccc1-c1cc(CC(C)C)sc1S(=O)(=O)NC(C)(C)C,CMSZHTRCFKYNDS-UHFFFAOYSA-N
-rxn:4:222611:178118,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(Cl)cc1OCC1CCCCO1,BWPAZWKLMLTUQN-UHFFFAOYSA-N
-rxn:4:222712:187053,CC(C)N(C(=O)c1cccc(F)c1-c1ccc(NC(=O)OC(C)(C)C)c(F)c1F)C(C)C,AMHDCITUZJQVMS-UHFFFAOYSA-N
-rxn:4:222820:174481,CC(C)(C)NS(=O)(=O)c1ccc(-c2cc(C(=O)OC(C)(C)C)cc(-c3cccc(C(F)(F)F)c3)c2)cc1F,AUCCSCZNIRVQTI-UHFFFAOYSA-N
-rxn:4:222881:199500,COC(=O)C(C(=O)OC(C)(C)C)c1ncc(-c2ccc(C(=O)NC(C)(C)C)cc2F)cn1,QLRXHFXMQPNBBW-UHFFFAOYSA-N
-rxn:4:222900:215131,Cc1nn(C(=O)C(C)N2C(=O)c3ccccc3C2=O)c(C)c1-c1csc(CNC(=O)OC(C)(C)C)c1,DUHGYTRCNRVXRV-UHFFFAOYSA-N
-rxn:4:222970:185107,CC(C)CNC(=O)c1ccccc1-c1cnc(S(=O)(=O)C(C)C)c(C(=O)OC(C)(C)C)c1,UJGVVNMHRLUCPB-UHFFFAOYSA-N
-rxn:4:222970:187632,CC(C)CNC(=O)c1ccccc1-c1ccc(C2(C)CN(C(=O)OC(C)(C)C)CCO2)cc1,SMKDATOIQIJDKL-UHFFFAOYSA-N
-rxn:4:223052:185557,CC(C)NC(=O)c1cccc(-c2cc(F)c(OC(C)(C)C)c3ccn(C(=O)OC(C)(C)C)c23)c1F,KOXLFSRITCBBNT-UHFFFAOYSA-N
-rxn:4:223071:187847,CCS(=O)(=O)NCc1ccc(-c2cc3c(cc2C(F)F)N(C(=O)OC(C)(C)C)CC3)cc1,UAMWRKFZKXJLBO-UHFFFAOYSA-N
-rxn:4:223071:204101,CCS(=O)(=O)NCc1ccc(-c2cccc(C(=O)N3CCC(N4CCCC4)CC3)c2)cc1,MITDWHADENBHJJ-UHFFFAOYSA-N
-rxn:4:223080:199820,CC(C)NS(=O)(=O)c1ccc(-c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)[C@@H](C)C3)cc2C(F)(F)F)cc1,OUIMSRFTCHCJSQ-SFHVURJKSA-N
-rxn:4:223520:184333,CCOC(=O)C(C#N)c1cccc(-c2ccc(C(C)N3CCN(C(=O)OC(C)(C)C)CC3)cc2)c1,KXLNAVWFQUGSRP-UHFFFAOYSA-N
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-rxn:5:189212:227671:223239,Cc1cccc(C(F)(F)F)c1-c1cc(C(=O)ON2C(=O)CCC2=O)ccc1-c1cncc(C2CCCN2)c1,DSQNJZVQBLSSJN-UHFFFAOYSA-N
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-rxn:5:189449:225798:228498,COC1CN(C(=O)c2cc(-c3cn(C)nc3C(F)(F)F)ccc2-c2ccc(OC3CCOCC3)nc2)C1,FDPZGTPANZTTMT-UHFFFAOYSA-N
-rxn:5:189540:225798:227803,COC1CN(Cc2cc(-c3ccc(OC4CCOCC4)nc3)ccc2-c2ccnn2S(=O)(=O)N(C)C)C1,WOYGSEXUPQVIDV-UHFFFAOYSA-N
-rxn:5:189540:226654:226326,COC1CN(Cc2cc(-c3csc(N4CCC(C)CC4)n3)ccc2-c2cccc(C3(C#N)CC3)c2F)C1,MNICIGGYKMXWNZ-UHFFFAOYSA-N
-rxn:5:189662:223006:227777,O=[N+]([O-])c1cc(F)c(F)cc1-c1ncc(-c2ccc(F)c(C3CCNCC3)c2)cc1OCC1CCOCC1,CLDDGJQYTRQKNH-UHFFFAOYSA-N
-rxn:5:189662:223006:227779,O=[N+]([O-])c1cc(F)c(F)c(-c2ncc(-c3ccc(F)c(C4CCNCC4)c3)cc2OCC2CCOCC2)c1,TXBNEVGTXYFKCK-UHFFFAOYSA-N
-rxn:5:189662:223006:227780,O=[N+]([O-])c1ccc(F)c(-c2ncc(-c3ccc(F)c(C4CCNCC4)c3)cc2OCC2CCOCC2)c1F,WSQDGLDLSYRJCD-UHFFFAOYSA-N
-rxn:5:189662:223006:227783,O=[N+]([O-])c1cc(-c2ncc(-c3ccc(F)c(C4CCNCC4)c3)cc2OCC2CCOCC2)c(F)cc1F,UGLPTKOAVOLTJM-UHFFFAOYSA-N
-rxn:5:189662:227530:225585,COC(=O)c1ccc(F)c(-c2cnc(-c3ccccc3CN3CCOCC3)c(OCC3CCOCC3)c2)c1,IKRHXVKAPJUCRT-UHFFFAOYSA-N
-rxn:5:189662:227779:223006,O=[N+]([O-])c1cc(F)c(F)c(-c2cnc(-c3ccc(F)c(C4CCNCC4)c3)c(OCC3CCOCC3)c2)c1,SWUVBVLHXBTBLX-UHFFFAOYSA-N
-rxn:5:189662:227780:223002,O=[N+]([O-])c1ccc(F)c(-c2cnc(-c3ccc(C4CCNCC4)cc3F)c(OCC3CCOCC3)c2)c1F,OJJALGRIHRSLBS-UHFFFAOYSA-N
-rxn:5:189662:227780:223006,O=[N+]([O-])c1ccc(F)c(-c2cnc(-c3ccc(F)c(C4CCNCC4)c3)c(OCC3CCOCC3)c2)c1F,WMGXBOHECHNEOZ-UHFFFAOYSA-N
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-rxn:5:189662:227795:223006,O=[N+]([O-])c1c(F)ccc(-c2cnc(-c3ccc(F)c(C4CCNCC4)c3)c(OCC3CCOCC3)c2)c1F,AKHHAGSSFLESGR-UHFFFAOYSA-N
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-rxn:5:189664:227331:222404,CC(C)Oc1cccc(F)c1-c1ccc(CC(=O)N2CCCC2)c(-c2ccc(C3NC(=O)NC3=O)cc2)c1,BLTXAFVHLWSXNZ-UHFFFAOYSA-N
-rxn:5:189665:223006:227783,O=[N+]([O-])c1cc(-c2cc(-c3ccc(F)c(C4CCNCC4)c3)cnc2OCC2CCOCC2)c(F)cc1F,CYIROGVCEOWBKH-UHFFFAOYSA-N
-rxn:5:189665:225469:226734,CC1CCCN(c2ccc(-c3cnc(OCC4CCOCC4)c(-c4cccc(S(=O)(=O)N(C)C)c4)c3)cc2)C1,KEARKRJJVDJKML-UHFFFAOYSA-N
-rxn:5:189672:225633:223062,CC(C)(C)S(=O)/N=C/c1cccc(-c2ccc(N3CCCCCC3)nc2)c1-c1cnc(C2CCNCC2)cc1F,WVPHGDNYQQVFQA-FDALDRLYSA-N
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-rxn:5:189718:223087:227449,O=[N+]([O-])c1cc(-c2ccc(C3CCOCC3)s2)c(-c2cc(C(F)(F)F)cc3[nH]ncc23)cc1OC1CCOCC1,LRWIJKJPPRWSOG-UHFFFAOYSA-N
-rxn:5:189718:223138:225811,O=[N+]([O-])c1cc(-c2ccc(C3(C(F)(F)F)CC3)cc2)c(-c2ccnc(C3CCNCC3)c2)cc1OC1CCOCC1,CZBQGDDLLMBGOL-UHFFFAOYSA-N
-rxn:5:189718:223138:225814,O=[N+]([O-])c1cc(-c2cccc(C3(C(F)(F)F)CC3)c2)c(-c2ccnc(C3CCNCC3)c2)cc1OC1CCOCC1,NRJCFCWUXDKAQN-UHFFFAOYSA-N
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-rxn:5:189718:223294:225814,O=[N+]([O-])c1cc(-c2cccc(C3(C(F)(F)F)CC3)c2)c(-c2csc(N3CCNCC3)n2)cc1OC1CCOCC1,WHSRPPJRMJKOEV-UHFFFAOYSA-N
-rxn:5:189718:225811:223138,O=[N+]([O-])c1cc(-c2ccnc(C3CCNCC3)c2)c(-c2ccc(C3(C(F)(F)F)CC3)cc2)cc1OC1CCOCC1,CMVOEHWJZXTHRW-UHFFFAOYSA-N
-rxn:5:189718:225814:223138,O=[N+]([O-])c1cc(-c2ccnc(C3CCNCC3)c2)c(-c2cccc(C3(C(F)(F)F)CC3)c2)cc1OC1CCOCC1,OHNRXLVMBQBYGH-UHFFFAOYSA-N
-rxn:5:189718:225814:223294,O=[N+]([O-])c1cc(-c2csc(N3CCNCC3)n2)c(-c2cccc(C3(C(F)(F)F)CC3)c2)cc1OC1CCOCC1,QJMBGNSVSCLLLU-UHFFFAOYSA-N
-rxn:5:189718:226177:228972,O=[N+]([O-])c1cc(-c2cc(C(F)(F)F)cs2)c(-c2ccnc(C3CCCCC3)c2)cc1OC1CCOCC1,KVXYTPWMYNELIL-UHFFFAOYSA-N
-rxn:5:189718:226329:223062,N#CC1(c2ccc(-c3cc(OC4CCOCC4)c([N+](=O)[O-])cc3-c3cnc(C4CCNCC4)cc3F)cc2F)CC1,KEHXVHAYAOSRPD-UHFFFAOYSA-N
-rxn:5:189718:226329:227408,N#CC1(c2ccc(-c3cc(OC4CCOCC4)c([N+](=O)[O-])cc3-c3cc(C4CCC4)ncc3F)cc2F)CC1,CCPXSRZNHZEFKU-UHFFFAOYSA-N
-rxn:5:189718:226842:226139,O=C(c1cncc(-c2cc(OC3CCOCC3)c([N+](=O)[O-])cc2-c2cc(C3CC3)cnc2C2CC2)c1)C(F)(F)F,HSFMILTYUIXBOK-UHFFFAOYSA-N
-rxn:5:189718:227449:223087,O=[N+]([O-])c1cc(-c2cc(C(F)(F)F)cc3[nH]ncc23)c(-c2ccc(C3CCOCC3)s2)cc1OC1CCOCC1,CCNXUOMTSXQYHM-UHFFFAOYSA-N
-rxn:5:189718:227451:223239,O=[N+]([O-])c1cc(-c2cncc(C3CCCN3)c2)c(-c2ccc(C3CC3(F)F)cc2)cc1OC1CCOCC1,GRUAKVGBDCYGMF-UHFFFAOYSA-N
-rxn:5:189718:228211:223062,O=[N+]([O-])c1cc(-c2cnc(C3CCNCC3)cc2F)c(-c2cc(N3CCCC3)cs2)cc1OC1CCOCC1,ZQLARRYBFRTPRU-UHFFFAOYSA-N
-rxn:5:189718:228478:223000,O=[N+]([O-])c1cc(-c2ccc(C3CCCNC3)c(F)c2)c(-c2cncc(C(F)(F)F)c2)cc1OC1CCOCC1,XWKCMOFRPPLTSZ-UHFFFAOYSA-N
-rxn:5:189718:228478:223062,O=[N+]([O-])c1cc(-c2cnc(C3CCNCC3)cc2F)c(-c2cncc(C(F)(F)F)c2)cc1OC1CCOCC1,COGZECBKBMHFSS-UHFFFAOYSA-N
-rxn:5:189718:228478:223138,O=[N+]([O-])c1cc(-c2ccnc(C3CCNCC3)c2)c(-c2cncc(C(F)(F)F)c2)cc1OC1CCOCC1,NDEYBYTZAFQRLL-UHFFFAOYSA-N
-rxn:5:189908:223006:227780,O=[N+]([O-])c1ccc(F)c(-c2ncc(-c3ccc(F)c(C4CCNCC4)c3)cc2OCC2CCCCC2)c1F,FYTHDHQTVVDUTF-UHFFFAOYSA-N
-rxn:5:189908:226899:225666,O=[N+]([O-])c1ccc(-c2cnc(-c3cc(F)cc(N4CCCCC4)c3)c(OCC3CCCCC3)c2)c([N+](=O)[O-])c1,LOMBLQPOVJSLLR-UHFFFAOYSA-N
-rxn:5:189952:229013:225632,COc1c(-c2cccc(N3CCN(C)CC3)c2)cc(C(=O)N2CCOCC2)cc1-c1sccc1C1CC1,NXHQSXXJKBMHQX-UHFFFAOYSA-N
-rxn:5:190000:223306:226032,COc1cc(-c2ccc(CC(=O)N3CCCCC3)c(-c3ccc4c(c3)CNCC4)c2)c(F)c(C(F)(F)F)c1,ACONZSRSSAZMFO-UHFFFAOYSA-N
-rxn:5:190000:226907:226144,C[Si](C)(C)C#Cc1ccc(-c2ccc(CC(=O)N3CCCCC3)c(-c3cccc4c3CCC43CC3)c2)cc1,AOEBYMZGKVYGGN-UHFFFAOYSA-N
-rxn:5:190001:223058:227279,CC(C)n1nc(C2CC2)cc1-c1ccc(CC(=O)N2CCCCC2)cc1-c1cc(F)nc(C2CCCNC2)c1,RIEAEKPDBFRABU-UHFFFAOYSA-N
-rxn:5:190001:223138:227077,CCC(C)c1ccc(-c2ccc(CC(=O)N3CCCCC3)cc2-c2ccnc(C3CCNCC3)c2)c(F)c1,JYAWKDDIKWCQDQ-UHFFFAOYSA-N
-rxn:5:190001:225926:223064,O=C(Cc1ccc(-c2ccc(C3CCNCC3)nc2F)c(-c2ccc(S(=O)(=O)N3CCC3)cc2)c1)N1CCCCC1,WVWMLFSCUIYJGA-UHFFFAOYSA-N
-rxn:5:190001:227542:223294,COC(=O)c1cc(F)ccc1-c1cc(CC(=O)N2CCCCC2)ccc1-c1csc(N2CCNCC2)n1,YZWVYXXBRWAXQG-UHFFFAOYSA-N
-rxn:5:190127:228371:222996,COC1CCN(C(=O)c2cc(-c3ccc(F)c(C#N)c3F)ccc2-c2ccc(F)cc2C2CCCNC2)CC1,QZXPWXBBVAUCOD-UHFFFAOYSA-N
-rxn:5:190128:222996:223011,COC1CCN(C(=O)c2ccc(-c3ccc(F)cc3C3CCCNC3)c(-c3cc4[nH]ncc4cc3OC(C)C)c2)CC1,IOWULRGAVILIGF-UHFFFAOYSA-N
-rxn:5:190132:225591:223112,COC1CCN(C(=O)c2ccc(-c3cc(CN4CCCC4)ccc3F)cc2-c2c(C(C)C)ccc3[nH]ncc23)CC1,DTZUMKUDBDRMAO-UHFFFAOYSA-N
-rxn:5:190132:226662:226711,COC1CCN(C(=O)c2ccc(-c3ccc(N4CCN(C)CC4)s3)cc2-c2ccc3cnn(C(F)F)c3c2)CC1,YZGWREFPLJHKQC-UHFFFAOYSA-N
-rxn:5:190132:226794:225506,COC1CCN(C(=O)c2ccc(-c3cnc(N4CCSCC4)nc3)cc2-c2ccc3c(cnn3CC(C)C)c2)CC1,WZYQOQKXIAAYNP-UHFFFAOYSA-N
-rxn:5:190194:223011:222960,COC1CCN(Cc2cccc(-c3cc4[nH]ncc4cc3OC(C)C)c2-c2cc(C)cc(C3CCNCC3)c2)CC1,PVFOPUWMRJHQNT-UHFFFAOYSA-N
-rxn:5:190194:225632:228481,COC1CCN(Cc2cccc(-c3cccc(N4CCN(C)CC4)c3)c2-c2ccnc(C(F)(F)F)c2)CC1,QQAUBSYOVJCEML-UHFFFAOYSA-N
-rxn:5:190194:226085:223294,COC1CCN(Cc2cccc(-c3ccc4c(c3)CCC(C)(C)O4)c2-c2csc(N3CCNCC3)n2)CC1,WIELHGLFWSHMFO-UHFFFAOYSA-N
-rxn:5:190196:226583:227667,CC(=O)c1ccc(F)c(-c2cc(-c3ccc(CN4CCOCC4)s3)ccc2CN(C)C2CCOCC2)c1F,HKHPUSIEKPBWAG-UHFFFAOYSA-N
-rxn:5:190198:227298:223062,CN(C)Cc1ccc(F)cc1-c1cccc(-c2cnc(C3CCNCC3)cc2F)c1CN(C)C1CCOCC1,AFCAFEVSSJXUOZ-UHFFFAOYSA-N
-rxn:5:190198:227298:223294,CN(C)Cc1ccc(F)cc1-c1cccc(-c2csc(N3CCNCC3)n2)c1CN(C)C1CCOCC1,BVLLYMQUVVUVRM-UHFFFAOYSA-N
-rxn:5:190198:227298:225641,CC1CCCN(c2cc(-c3cccc(-c4cc(F)ccc4CN(C)C)c3CN(C)C3CCOCC3)ccn2)C1,DLEQSIBJAFOUAT-UHFFFAOYSA-N
-rxn:5:190198:227298:225653,CC1CCCCN1c1ccc(-c2cccc(-c3cc(F)ccc3CN(C)C)c2CN(C)C2CCOCC2)cn1,LYTZVUOZSBHSCL-UHFFFAOYSA-N
-rxn:5:190198:227298:225834,CN(C)Cc1ccc(F)cc1-c1cccc(-c2cc(N3CCCCC3)ncc2F)c1CN(C)C1CCOCC1,NANKLALUANHWTB-UHFFFAOYSA-N
-rxn:5:190198:227298:226426,CC1CCN(c2ccc(-c3cccc(-c4cc(F)ccc4CN(C)C)c3CN(C)C3CCOCC3)s2)CC1,NZRKSNNXCLTOSM-UHFFFAOYSA-N
-rxn:5:190199:225886:225498,CN(Cc1cc(-c2cc(C3CCCCC3)ccc2F)ccc1-c1ccc2c(ccn2S(C)(=O)=O)c1)C1CCOCC1,QEIUGXYCBJYJJC-UHFFFAOYSA-N
-rxn:5:190199:227611:227710,CN(Cc1cc(-c2ccc(OS(C)(=O)=O)cc2)ccc1-c1ccnn1C1CCCCO1)C1CCOCC1,IOIQPVGPHRAFFQ-UHFFFAOYSA-N
-rxn:5:190199:227688:222956,COc1ccc([N+](=O)[O-])cc1-c1ccc(-c2ccc(C)cc2C2CCCNC2)cc1CN(C)C1CCOCC1,YRORIOJBISUWIN-UHFFFAOYSA-N
-rxn:5:190264:223011:222996,CC1CCN(C(=O)Cc2ccc(-c3ccc(F)cc3C3CCCNC3)c(-c3cc4[nH]ncc4cc3OC(C)C)c2)CC1,HCJPTGMDEAFJMI-UHFFFAOYSA-N
-rxn:5:190264:225499:225886,CC1CCN(C(=O)Cc2ccc(-c3ccc4c(ccn4S(C)(=O)=O)c3)c(-c3ccc(C4CCCCC4)cc3F)c2)CC1,UZDTYPHQDIWXHD-UHFFFAOYSA-N
-rxn:5:190264:227346:226794,CCCc1cc(F)c(-c2cc(CC(=O)N3CCC(C)CC3)ccc2-c2cnc(N3CCSCC3)nc2)c(F)c1,JPHGNRQXXYAGNI-UHFFFAOYSA-N
-rxn:5:190265:223063:228192,Cc1nc(N(C)C)ccc1-c1ccc(CC(=O)N2CCCC(C)C2)cc1-c1cc(F)nc(C2CCNCC2)c1,QPBUETQOIOVACG-UHFFFAOYSA-N
-rxn:5:190265:225506:223063,CC(C)Cn1ncc2cc(-c3cc(CC(=O)N4CCCC(C)C4)ccc3-c3cc(F)nc(C4CCNCC4)c3)ccc21,SWHWGNBUFJQUNK-UHFFFAOYSA-N
-rxn:5:190265:226679:228567,CCC(C)c1sccc1-c1ccc(CC(=O)N2CCCC(C)C2)cc1-c1cnc(N2CCCC2)cc1F,ZZLPKPXRNXFKES-UHFFFAOYSA-N
-rxn:5:190265:227077:223240,CCC(C)c1ccc(-c2cc(CC(=O)N3CCCC(C)C3)ccc2-c2ccc(C3CCNC3)nc2)c(F)c1,WZRBZFZKNQIGQU-UHFFFAOYSA-N
-rxn:5:190265:227077:223294,CCC(C)c1ccc(-c2cc(CC(=O)N3CCCC(C)C3)ccc2-c2csc(N3CCNCC3)n2)c(F)c1,AZJGDHDNJFGYCO-UHFFFAOYSA-N
-rxn:5:190335:225886:227052,COc1c(-c2ccc(SC(C)(C)C)cc2)cc(C(=O)N2CCCCC2C)cc1-c1ccc2c(ccn2S(C)(=O)=O)c1,MNEFYGNKJNQEES-UHFFFAOYSA-N
-rxn:5:190335:228119:225938,COc1c(-c2ccc(SC(C)C)nc2)cc(C(=O)N2CCCCC2C)cc1-c1cc(C(F)(F)F)ncc1C1CC1,HCOPVROGPQZKQT-UHFFFAOYSA-N
-rxn:5:190484:223146:228701,O=C(c1cccc(-c2cccc(C3CNCCO3)c2)c1)N1CCC(c2ccccc2-c2cnc(C3CC3)nc2)S(=O)(=O)CC1,RDBKFCMFQDFNCS-UHFFFAOYSA-N
-rxn:5:190484:223294:223137,O=C(c1cccc(-c2csc(N3CCNCC3)n2)c1)N1CCC(c2ccccc2-c2cncc(C3CCCNC3)c2)S(=O)(=O)CC1,IYHRILYIGWDGRL-UHFFFAOYSA-N
-rxn:5:190484:226590:227126,O=C(c1cccc(-c2ccc(OC3CCOC3)nc2)c1)N1CCC(c2ccccc2-c2ccc(C3CCOC3)cc2)S(=O)(=O)CC1,OGUANTVIXYDDBS-UHFFFAOYSA-N
-rxn:5:190484:228312:226177,COc1cnc(C#N)cc1-c1cccc(C(=O)N2CCC(c3ccccc3-c3ccnc(C4CCCCC4)c3)S(=O)(=O)CC2)c1,INDKWNRMRHAHSK-UHFFFAOYSA-N
-rxn:5:190484:229220:222958,Cc1cc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4ccc(C)c(C5CCNCC5)c4)S(=O)(=O)CC3)c2)c(C)s1,FHTCPEVBFKSJCF-UHFFFAOYSA-N
-rxn:5:190583:222981:223054,CCOC(=O)c1cc2cc(-c3ccnc(NC4CCCCC4)c3)c(-c3ccc(C(C)N4CCC(O)C4)s3)cc2[nH]1,MUAFEVDLBBHQNZ-UHFFFAOYSA-N
-rxn:5:190584:225674:225607,CCOC(=O)c1cc2c(-c3ccc(C(C)N4CCCCC4)s3)cc(-c3cnc(C4CCCCC4)cc3F)cc2[nH]1,LMSUXBBFYWOZBC-UHFFFAOYSA-N
-rxn:5:190585:223064:225607,CCOC(=O)c1[nH]c2cc(-c3ccc(C(C)N4CCCCC4)s3)ccc2c1-c1ccc(C2CCNCC2)nc1F,LBGKFIUUPJKAOC-UHFFFAOYSA-N
-rxn:5:190651:225671:225607,CCOC(=O)c1cc(-c2cc(C3CCCCC3)ncc2F)c2nccc(-c3ccc(C(C)N4CCCCC4)s3)c2c1,CRVMCMSFLHDOQE-UHFFFAOYSA-N
-rxn:5:190740:225880:225453,CCOC(=O)c1cnc2c(C)cc(-c3cc(C4CCOCC4)ncc3F)cc2c1-c1cccc(SC2CCCCC2)c1,PSFXAQSRSMAZCC-UHFFFAOYSA-N
-rxn:5:190741:226330:223000,CCOC(=O)c1cnc2c(-c3ccc(C(C)N4CCCC4)s3)cc(C)cc2c1-c1ccc(C2CCCNC2)c(F)c1,QLSWGIBXCPLDOP-UHFFFAOYSA-N
-rxn:5:190742:225653:222991,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(N4CCCCC4C)nc3)c2c1-c1ccc(N2CCCC(O)C2)cc1,RVNZAFOPOQRKEP-UHFFFAOYSA-N
-rxn:5:190743:225672:225452,CCOC(=O)c1cnc2c(C)c(-c3cc(F)nc(C4CCCCC4)c3)ccc2c1-c1ccc(OC2C=CCCC2)cc1,OHJPXZPBBWVMST-UHFFFAOYSA-N
-rxn:5:190743:225672:225470,CCOC(=O)c1cnc2c(C)c(-c3cc(F)nc(C4CCCCC4)c3)ccc2c1-c1ccc(N2CCC(C)CC2)cc1,LIYBRCUEZSRQLL-UHFFFAOYSA-N
-rxn:5:190744:223002:223061,CCOC(=O)c1cnc2c(-c3ccc(C4CCNCC4)cc3F)c(C)ccc2c1-c1cc(C2CCNCC2)ncc1F,DYOBHLZEWNWGMA-UHFFFAOYSA-N
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-rxn:5:197876:225602:223401,CNc1cc(-c2cc3c(cc2-c2cc(C4(C#N)CCC4)ccc2F)S(=O)(=O)N(C(C)(C)C)C3=O)ccc1C,QWZMDJLUDNBUCR-UHFFFAOYSA-N
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-rxn:5:197876:225820:227950,Cc1ccc(N(C)C)cc1-c1cc2c(cc1-c1c(C3CC3)cccc1C(F)(F)F)S(=O)(=O)N(C(C)(C)C)C2=O,AVLFDRNDPDAPOM-UHFFFAOYSA-N
-rxn:5:197876:225820:228190,Cc1cc(N(C)C)ncc1-c1cc2c(cc1-c1c(C3CC3)cccc1C(F)(F)F)S(=O)(=O)N(C(C)(C)C)C2=O,GJSZJHFWYXNVDN-UHFFFAOYSA-N
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-rxn:5:197876:225927:229015,CC(C)c1sccc1-c1cc2c(cc1-c1cc(C(F)(F)F)ccc1N(C)C)S(=O)(=O)N(C(C)(C)C)C2=O,AIMGEECAHGOJHU-UHFFFAOYSA-N
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-rxn:5:197876:226028:227963,CC(C)(C)c1cc(-c2cc3c(cc2-c2ccc(C(F)(F)F)c(C#N)c2F)S(=O)(=O)N(C(C)(C)C)C3=O)ccn1,HUBDEEXFOUUVHN-UHFFFAOYSA-N
-rxn:5:197876:226032:227326,COC(=O)c1ccc(C)c(-c2cc3c(cc2-c2cc(OC)cc(C(F)(F)F)c2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,QPVIRJQKVWSAMM-UHFFFAOYSA-N
-rxn:5:197876:226059:228971,CC(C)c1ccc(-c2cc3c(cc2-c2csc(C(F)(F)F)c2)C(=O)N(C(C)(C)C)S3(=O)=O)c(C(C)C)c1,RNNLNEGAZVOIIY-UHFFFAOYSA-N
-rxn:5:197876:226067:227102,CC(C)(C)c1ccc(F)c(-c2cc3c(cc2-c2ccc(C4=CCCCC4)cc2)S(=O)(=O)N(C(C)(C)C)C3=O)c1,NGMNLDCFIRPCHS-UHFFFAOYSA-N
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-rxn:5:197876:226085:227534,CCOc1cc(F)c(-c2cc3c(cc2-c2ccc4c(c2)CCC(C)(C)O4)S(=O)(=O)N(C(C)(C)C)C3=O)c(F)c1,XFELLJIMXVRHNX-UHFFFAOYSA-N
-rxn:5:197876:226085:228177,COCc1ccc(F)cc1-c1cc2c(cc1-c1ccc3c(c1)CCC(C)(C)O3)S(=O)(=O)N(C(C)(C)C)C2=O,XEBLMZNFMICOPY-UHFFFAOYSA-N
-rxn:5:197876:226149:227722,COc1ccc(-c2cc3c(cc2-c2cccc(SC(F)(F)F)c2)C(=O)N(C(C)(C)C)S3(=O)=O)cc1C(C)(C)C,BLFVBEPRRPSZIW-UHFFFAOYSA-N
-rxn:5:197876:226190:227737,Cc1cc(C(F)(F)F)ncc1-c1cc2c(cc1-c1ccc(C3CCCC3)cc1F)S(=O)(=O)N(C(C)(C)C)C2=O,VVNYKLQARFEFQA-UHFFFAOYSA-N
-rxn:5:197876:226190:227828,Cc1c(-c2cc3c(cc2-c2ccc(C4CCCC4)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cccc1C1CC1,MVPZSSKFCJVHOP-UHFFFAOYSA-N
-rxn:5:197876:226191:227558,Cc1cc(OC(F)F)ccc1-c1cc2c(cc1-c1cc(C3CCCC3)ccc1F)S(=O)(=O)N(C(C)(C)C)C2=O,MTRGANODVJPWDY-UHFFFAOYSA-N
-rxn:5:197876:226191:227831,CCc1c(C)cc(-c2cc3c(cc2-c2cc(C4CCCC4)ccc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1C,WXVHRVBGDJSSDE-UHFFFAOYSA-N
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-rxn:5:197876:226322:228344,Cc1cc(C(=O)N(C)C)ccc1-c1cc2c(cc1-c1ccc(SC(F)F)cc1)C(=O)N(C(C)(C)C)S2(=O)=O,ZKPQQIBBNBLAOD-UHFFFAOYSA-N
-rxn:5:197876:226325:228220,CC(C)c1cc(-c2cc3c(cc2-c2ccc(C(C)(C)C#N)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c(F)cn1,CQCPOAUOWXDESG-UHFFFAOYSA-N
-rxn:5:197876:226326:227100,Cc1cc(C2CC2)cc(F)c1-c1cc2c(cc1-c1cccc(C3(C#N)CC3)c1F)S(=O)(=O)N(C(C)(C)C)C2=O,ZGUOQABDQGDXJR-UHFFFAOYSA-N
-rxn:5:197876:226437:228263,CC(F)(F)c1ccc(-c2cc3c(cc2-c2cc(C4CCCC4)ncc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1,AGGFXSQSLJBVQP-UHFFFAOYSA-N
-rxn:5:197876:226580:227076,CCC(C)c1ccc(F)c(-c2cc3c(cc2-c2cc(C(=O)N(C)C)ccc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,IKEUWGGPXVIPDV-UHFFFAOYSA-N
-rxn:5:197876:226589:223263,CNC(=O)c1ccc(F)c(-c2cc3c(cc2-c2cc(C(F)F)ncc2C(C)C)S(=O)(=O)N(C(C)(C)C)C3=O)c1,OTNKAZPJOIIVAY-UHFFFAOYSA-N
-rxn:5:197876:226594:227922,CCc1cc(OC)ccc1-c1cc2c(cc1-c1c(F)cc(OC(C)C)cc1F)S(=O)(=O)N(C(C)(C)C)C2=O,OXVJJEXGLAAJPD-UHFFFAOYSA-N
-rxn:5:197876:226736:227944,CC(C)(C)c1cncc(-c2cc3c(cc2-c2ccc(C(F)(F)F)cc2C#N)S(=O)(=O)N(C(C)(C)C)C3=O)c1,ZBVZQKQWUSDOEK-UHFFFAOYSA-N
-rxn:5:197876:226745:223362,CCc1ncc(C(F)(F)F)cc1-c1cc2c(cc1-c1ccc(/C(C)=N/O)cc1)C(=O)N(C(C)(C)C)S2(=O)=O,YSJPOFAHGXZXDN-VWJSQJICSA-N
-rxn:5:197876:226745:227976,CCc1ncc(C(F)(F)F)cc1-c1cc2c(cc1-c1ccc([Si](C)(C)C)cc1)C(=O)N(C(C)(C)C)S2(=O)=O,FEJIXXAONDPCHD-UHFFFAOYSA-N
-rxn:5:197876:226745:228342,CCc1ncc(C(F)(F)F)cc1-c1cc2c(cc1-c1cccc(OC(F)F)c1)C(=O)N(C(C)(C)C)S2(=O)=O,ZGADMRWJWDLXGS-UHFFFAOYSA-N
-rxn:5:197876:226749:227906,CCC(C)c1ncccc1-c1cc2c(cc1-c1c(OC)cccc1C(F)(F)F)S(=O)(=O)N(C(C)(C)C)C2=O,UINAVZVNUDMRDP-UHFFFAOYSA-N
-rxn:5:197876:226762:227037,CSc1cc(-c2cc3c(cc2-c2cc(C#N)ccc2C2CC2)C(=O)N(C(C)(C)C)S3(=O)=O)cc(C(F)(F)F)c1,APINYOOSFSVNTG-UHFFFAOYSA-N
-rxn:5:197876:226762:227340,COC(=O)c1cc(-c2cc3c(cc2-c2cc(SC)cc(C(F)(F)F)c2)S(=O)(=O)N(C(C)(C)C)C3=O)ccc1C,GSOVELIKXNMFDB-UHFFFAOYSA-N
-rxn:5:197876:226767:227906,CCC(C)c1ncccc1-c1cc2c(cc1-c1cc(OC)ccc1C(F)(F)F)S(=O)(=O)N(C(C)(C)C)C2=O,PRBRQUCAVXNYMJ-UHFFFAOYSA-N
-rxn:5:197876:226768:225821,CSc1ccc(-c2cc3c(cc2-c2ccc(C4CC4)c(C(F)(F)F)c2)C(=O)N(C(C)(C)C)S3(=O)=O)cc1C(F)(F)F,YKQAMQZVJKXECJ-UHFFFAOYSA-N
-rxn:5:197876:226768:227039,CSc1ccc(-c2cc3c(cc2-c2ccc(OC(C)(C)C)cc2)C(=O)N(C(C)(C)C)S3(=O)=O)cc1C(F)(F)F,RDPYMSCVZYDBSJ-UHFFFAOYSA-N
-rxn:5:197876:226779:227052,CC(C)(C)Sc1ccc(-c2cc3c(cc2-c2ccc(C(=O)C(F)(F)F)cc2)S(=O)(=O)N(C(C)(C)C)C3=O)cc1,SVXIIBNTUZVKFY-UHFFFAOYSA-N
-rxn:5:197876:226826:227838,Cc1ccc(C2CC2)c(-c2cc3c(cc2-c2cc(C)cc(C(F)(F)F)c2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,VWBKOGWXJCPYMZ-UHFFFAOYSA-N
-rxn:5:197876:226835:228602,CC(=O)c1ccc(-c2cc3c(cc2-c2cc(C(F)(F)F)nn2C(C)C)S(=O)(=O)N(C(C)(C)C)C3=O)cc1,YTNQCHSBWNECKG-UHFFFAOYSA-N
-rxn:5:197876:226848:227906,CCC(C)c1ncccc1-c1cc2c(cc1-c1ccc(OC)nc1C(F)(F)F)S(=O)(=O)N(C(C)(C)C)C2=O,UDNCSDZYNPGWTP-UHFFFAOYSA-N
-rxn:5:197876:226849:227077,CCC(C)c1ccc(-c2cc3c(cc2-c2ccnc(OC)c2C(F)(F)F)S(=O)(=O)N(C(C)(C)C)C3=O)c(F)c1,AZMDGOMBUJESMB-UHFFFAOYSA-N
-rxn:5:197876:226876:227946,CC(C)(C)c1ccc(-c2cc3c(cc2-c2ccc(F)cc2OC(F)(F)F)S(=O)(=O)N(C(C)(C)C)C3=O)cn1,MMHAQXWNFYFVMP-UHFFFAOYSA-N
-rxn:5:197876:226884:228263,CC(F)(F)c1ccc(-c2cc3c(cc2-c2c(F)cc(C(F)(F)F)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1,ZNYSVXBZAZPXBV-UHFFFAOYSA-N
-rxn:5:197876:226907:226912,Cc1cc(CC(C)C)cc(-c2cc3c(cc2-c2cccc4c2CCC42CC2)S(=O)(=O)N(C(C)(C)C)C3=O)c1,FXILTMDSNYJCKG-UHFFFAOYSA-N
-rxn:5:197876:226910:226580,CCC(C)(C)c1ccc(-c2cc3c(cc2-c2cc(C(=O)N(C)C)ccc2F)C(=O)N(C(C)(C)C)S3(=O)=O)cc1,BTIXDUBXJLPFGC-UHFFFAOYSA-N
-rxn:5:197876:226912:226064,Cc1cc(CC(C)C)cc(-c2cc3c(cc2-c2ccc(C4CCCCC4)cc2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,OMYPHRSUYVNOKQ-UHFFFAOYSA-N
-rxn:5:197876:226914:227670,Cc1cc(CC(C)C)ccc1-c1cc2c(cc1-c1cc(F)cc(C(C)(F)F)c1)C(=O)N(C(C)(C)C)S2(=O)=O,GEFDQVIEKWSSIX-UHFFFAOYSA-N
-rxn:5:197876:226918:226926,Cc1cc(C(C)(C)C)ccc1-c1cc2c(cc1-c1ccc(C3=CCCC3)cc1)S(=O)(=O)N(C(C)(C)C)C2=O,FDLQOZGYMDOQNG-UHFFFAOYSA-N
-rxn:5:197876:226920:227673,Cc1ccc(C(C)(C)C)cc1-c1cc2c(cc1-c1cccc(C(C)(F)F)c1F)C(=O)N(C(C)(C)C)S2(=O)=O,KJKMRGVFGZUDHW-UHFFFAOYSA-N
-rxn:5:197876:226974:227706,COc1cnc(C(F)F)c(-c2cc3c(cc2-c2ccc4c(c2)COC4(C)C)S(=O)(=O)N(C(C)(C)C)C3=O)c1,IWGUGNWWLMPSNH-UHFFFAOYSA-N
-rxn:5:197876:227045:227724,CC(C)(C)Sc1cccc(-c2cc3c(cc2-c2cc(OC(F)F)ccc2F)C(=O)N(C(C)(C)C)S3(=O)=O)c1,FUGILMIFJWQPCY-UHFFFAOYSA-N
-rxn:5:197876:227048:227294,Cc1cnc(OC(C)C)c(-c2cc3c(cc2-c2ccc(C(=O)C(C)C)cc2)S(=O)(=O)N(C(C)(C)C)C3=O)c1,HFYSPIBZOGCFBF-UHFFFAOYSA-N
-rxn:5:197876:227051:225823,CCC(=O)c1ccc(-c2cc3c(cc2-c2cc(C(C)C)cc(C(F)(F)F)c2)C(=O)N(C(C)(C)C)S3(=O)=O)c(C)c1,UFKYSRYGCJMGCX-UHFFFAOYSA-N
-rxn:5:197876:227052:225815,CC(C)(C)Sc1ccc(-c2cc3c(cc2-c2ccc(C4CC4)cc2C(F)(F)F)C(=O)N(C(C)(C)C)S3(=O)=O)cc1,JVKKELPHOYTHOW-UHFFFAOYSA-N
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-rxn:5:197876:227810:226349,CCC(C)c1ccc(-c2cc3c(cc2-c2cc(F)cc(OC(C)(C)C)c2)C(=O)N(C(C)(C)C)S3(=O)=O)cc1,JJVUOXHEIPPSJJ-UHFFFAOYSA-N
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-rxn:5:197876:227906:226848,CCC(C)c1ncccc1-c1cc2c(cc1-c1ccc(OC)nc1C(F)(F)F)C(=O)N(C(C)(C)C)S2(=O)=O,CIHDPXZOIRYVOC-UHFFFAOYSA-N
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-rxn:5:197876:227948:226768,CSc1ccc(-c2cc3c(cc2-c2cc(C4CC4)cnc2C)S(=O)(=O)N(C(C)(C)C)C3=O)cc1C(F)(F)F,UUZQSMKZMRBOOH-UHFFFAOYSA-N
-rxn:5:197876:227970:225499,CC(C)(C)c1cnccc1-c1cc2c(cc1-c1ccc(C3CCCCC3)cc1F)C(=O)N(C(C)(C)C)S2(=O)=O,NNMJKUQKMVGQHV-UHFFFAOYSA-N
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-rxn:5:197876:228235:225811,CC(C)c1c(-c2cc3c(cc2-c2ccc(C4(C(F)(F)F)CC4)cc2)C(=O)N(C(C)(C)C)S3(=O)=O)ccnc1F,SRUNDMRMYNFZKV-UHFFFAOYSA-N
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-rxn:4:175521:223557,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc(Cl)c(OCC(=O)C(C)(C)C)c3)c(F)ccc21,ICZXAHZKHMAHHM-UHFFFAOYSA-N
-rxn:4:175933:224485,CC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2ccc(C3(C(=O)OC(C)(C)C)CC3)cc2)c1,XWNASEDQNMQFDD-UHFFFAOYSA-N
-rxn:4:175940:223529,C#Cc1cc(F)c(OCC2CCCCC2)c(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)c(F)c2)c1,UZMUMDVYQSFGQE-UHFFFAOYSA-N
-rxn:4:176014:223652,COc1ccc(Cl)c2cc(-c3cc(C(C)C)c(OC(C)=O)c(C(C)C)c3)n(C(=O)OC(C)(C)C)c12,XKSNUCQPIIGFGJ-UHFFFAOYSA-N
-rxn:4:176131:224172,CN(Cc1cccc(-c2cc(SC(C)(C)C)cc(SC(C)(C)C)c2)c1)C(=O)OC(C)(C)C,BDEPHFQIRSFGHW-UHFFFAOYSA-N
-rxn:4:176131:224376,CN1CCN(S(=O)(=O)c2cccc(-c3cc(SC(C)(C)C)cc(SC(C)(C)C)c3)c2)CC1,GLXCXCFXERICGX-UHFFFAOYSA-N
-rxn:4:176165:223583,COC(=O)c1ccc2c(-c3cc(C(=O)OC(C)(C)C)cc(-c4cc(C)ccc4F)c3)cn(C(=O)OC(C)(C)C)c2c1,YKTXWAJWNIXPQZ-UHFFFAOYSA-N
-rxn:4:176165:223977,Cc1ccc(F)c(-c2cc(C(=O)OC(C)(C)C)cc(-c3cc(C(F)(F)F)ccc3C(=O)OC(C)(C)C)c2)c1,SWAJPCUIWJVNBB-UHFFFAOYSA-N
-rxn:4:176316:223279,FC(F)(F)COc1ccc(-c2cnc(C3CCCN3)nc2)cc1C1C2CC3CC(C2)CC1C3,DYCRPHGZNYXUPE-UHFFFAOYSA-N
-rxn:4:176516:222717,Cc1cc(-c2cc(C(F)(F)F)cc(F)c2C(=O)C(F)F)c(S(=O)(=O)NC(C)(C)C)cc1F,CLEIVFMZSBFJQI-UHFFFAOYSA-N
-rxn:4:177182:223559,CCOC(=O)c1cc(C)cc(Cl)c1-c1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)OC(C)(C)C,MMLAOAMZXAFBGQ-UHFFFAOYSA-N
-rxn:4:177205:223559,CCOC(=O)c1cc(F)c(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)cc1C,UXKDJCITGSILPG-UHFFFAOYSA-N
-rxn:4:177324:223559,COC(=O)C1(c2ccccc2-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)CC1,MUBHCLKJDMNTGD-UHFFFAOYSA-N
-rxn:4:177465:223559,COC(=O)C1OC1(C)c1ccccc1-c1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)OC(C)(C)C,NIOHUPAXPZQKIF-UHFFFAOYSA-N
-rxn:4:178296:223891,COC(=O)C1(c2ccc(F)c(-c3c(F)ccc4c3ccn4[Si](C)(C)C(C)(C)C)c2)CCC(=O)CC1,JYOBRIAKFRPORP-UHFFFAOYSA-N
-rxn:4:178384:225359,COc1cc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c(C(F)(F)F)cc1OC,OIPZWVWAKAPXAO-UHFFFAOYSA-N
-rxn:4:178384:226844,O=C(c1cc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)ccn1)C(F)(F)F,SXMNINCNWZYYLV-UHFFFAOYSA-N
-rxn:4:178597:226383,Cn1cc(-c2cccc(-c3ccc(OC(=O)C4OC5OC(C)(C)OC5C5OC(C)(C)OC45)cc3)c2)cn1,QVZZARVNRGVNPG-UHFFFAOYSA-N
-rxn:4:178742:223505,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(-c3cccc(C(=O)C(F)F)c3F)cc2)CC1,IWSNXZMNAIOLQG-UHFFFAOYSA-N
-rxn:4:180485:222389,c1c(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)cc(C2CC2)cc1C1CCOCC1,INZLNZHLJTUHSK-UHFFFAOYSA-N
-rxn:4:180815:222899,CCCCNS(=O)(=O)c1ccc(-c2ccc(OC)c(C34CC5CC(CC(C5)C3)C4)c2)cc1,MPXIMKMHOOWCMV-UHFFFAOYSA-N
-rxn:4:181923:223810,Cc1cc(-c2cc(F)c(C3(C)OCCO3)c(F)c2)cc(C)c1S(=O)(=O)N1CCC(C)CC1,DFAUDQCSLSSLMB-UHFFFAOYSA-N
-rxn:4:182217:223522,CSc1ccc(-c2cc(F)cc(N3CCC(O[Si](C)(C)C(C)(C)C)CC3)c2)c2c1C(=O)CC2,LTXGPQVHHZSAPQ-UHFFFAOYSA-N
-rxn:4:182295:223598,COc1ccc(-c2ccc(OCCN3CCC4(CC3)OCCO4)c(F)c2)c2c1CCCC2,OBNVPYGZRNIMDK-UHFFFAOYSA-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:4:183085:223497,CC(c1ccc(-c2cc(F)c3c(c2F)C(=O)CCC3)cc1)N1CCC(O[Si](C)(C)C(C)(C)C)CC1,KSCDIKUQESYWDT-UHFFFAOYSA-N
-rxn:4:183181:223522,CC(C)(C)[Si](C)(C)OC1CCN(c2cc(F)cc(-c3ccc4c(c3)OCCC43CC3)c2)CC1,LIWGCPFYNODEDN-UHFFFAOYSA-N
-rxn:4:183273:223436,CNc1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c(F)n1,GPDQQBTXIVVLKR-UHFFFAOYSA-N
-rxn:4:183274:227259,COc1ccc(CSC)cc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCOCCO2,AIUJLXPSTKFIBZ-UHFFFAOYSA-N
-rxn:4:183274:229329,Clc1ncc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCOCCO3)s1,KGQPEIZEEGTARX-UHFFFAOYSA-N
-rxn:4:183379:225196,CC1(C)C=Cc2c3c(cc(-c4cc(Cl)c(F)c(OC5CCCC5)c4)c2O1)C(=O)OC(C)(C)O3,VXSOBYOJMSPCLQ-UHFFFAOYSA-N
-rxn:4:183583:223568,COC(=O)C(C(=O)OC)c1ccc(-c2cnc3c(ccn3[Si](C(C)C)(C(C)C)C(C)C)c2Cl)cc1[N+](=O)[O-],NIGHEBRQHOCOOP-UHFFFAOYSA-N
-rxn:4:183585:224845,COC(=O)C(C(=O)OC)c1cc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)ccc1[N+](=O)[O-],YRRLCSRDVMADSW-UHFFFAOYSA-N
-rxn:4:183627:222635,COC(=O)C(Oc1ccc(C#N)c(-c2cccc([C@H](C)NC(=O)OC(C)(C)C)c2)c1)C(C)C,DXIOEXRHAHMVOB-NVHKAFQKSA-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:4:183646:223279,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cnc(C3CCCN3)nc2)cc1OCC(F)(F)F,XCBNCUJWAGPDHX-UHFFFAOYSA-N
-rxn:4:183668:222814,CC(C)(C)OC(=O)Nc1nccc(-c2ccc(C(=O)C(C#N)C(=O)OC(C)(C)C)cc2)c1F,IMWVVFVLLDKSAM-UHFFFAOYSA-N
-rxn:4:183668:223776,CC(C)(C)OC(=O)C(C#N)C(=O)c1ccc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)CCO3)cc1,QOSAPWYQUFQMBN-UHFFFAOYSA-N
-rxn:4:183668:224999,CC(c1ccc(-c2ccc(C(=O)C(C#N)C(=O)OC(C)(C)C)cc2)cc1)N1CCOCC1,NCJKWBUCFBRORF-UHFFFAOYSA-N
-rxn:4:183668:225306,COc1cc(F)c([Si](C)(C)C)c(F)c1-c1ccc(C(=O)C(C#N)C(=O)OC(C)(C)C)cc1,UKOQLFJKVAZQLP-UHFFFAOYSA-N
-rxn:4:183704:223279,O=C(OC(F)(F)F)N1CCC[C@H]1COc1ccc(-c2cnc(C3CCCN3)nc2)cc1F,LUZORROCVUGZMR-MYJWUSKBSA-N
-rxn:4:183730:223220,O=C(COc1cc(OC(F)(F)F)ccc1-c1ccc(NCC2CC2)nc1)N1CCOCC1,CJEISUAZAAJMPW-UHFFFAOYSA-N
-rxn:4:183730:223279,O=C(COc1cc(OC(F)(F)F)ccc1-c1cnc(C2CCCN2)nc1)N1CCOCC1,SZENAIWPEXEBDK-UHFFFAOYSA-N
-rxn:4:183730:224645,COc1cc(C(=O)N2CCCC2)ccc1-c1ccc(OC(F)(F)F)cc1OCC(=O)N1CCOCC1,UIHDGRPAOXYHRB-UHFFFAOYSA-N
-rxn:4:183730:225272,CCOC(=O)C(F)(F)c1ccc(-c2ccc(OC(F)(F)F)cc2OCC(=O)N2CCOCC2)cc1,IWWBVNHUHHRZCT-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:4:183752:223279,CCOC(=O)CCN1C(=O)C(=Cc2cccc(-c3cnc(C4CCCN4)nc3)c2)SC1=S,XXSHWKHCTOHHGO-UHFFFAOYSA-N
-rxn:4:183755:223179,CONC(=O)c1cc(-c2ccc(C(=O)ON3C(=O)CCC3=O)c(OCC3CC3)c2)ccc1F,SOTWHNIEEDABOU-UHFFFAOYSA-N
-rxn:4:183794:224842,CCN(CC)C(C)(C(=O)OC)c1ccc(F)c(-c2ccc3c(c2)C(C)(C)CCC3(C)C)c1,KKDNWYDVKKOBMM-UHFFFAOYSA-N
-rxn:4:183804:224248,CC1CCN(C(=O)c2ccc(-c3cc(OC(F)(F)F)ccc3OCCN3CCCCC3)cc2Cl)CC1,MXCMEASHPXQYSK-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:4:183807:223279,CC(C)COc1cc(-c2cnc(C3CCCN3)nc2)ccc1C(=O)ON1C(=O)CCC1=O,KGTPVGHJNMQEOU-UHFFFAOYSA-N
-rxn:4:183819:224970,CCN(C(=O)OC(C)(C)C)c1cc(OC)cc(-c2ccc(S[Si](C)(C)C(C)(C)C)cc2)c1,UPHSQLWBQOVUEP-UHFFFAOYSA-N
-rxn:4:183824:224847,CC(C)(C)OC(=O)N(Cc1ccc(-c2cc(C(C)(C)C)ccc2C(C)(C)C)cc1Cl)C1CC1,PZDOWDJIUQGDQG-UHFFFAOYSA-N
-rxn:4:183833:223176,C#Cc1ccc(-c2cccc(CNS(C)(=O)=O)c2)cc1OC1CN(C(=O)OC(C)(C)C)C1,VLQLQQMMKLUTOC-UHFFFAOYSA-N
-rxn:4:183877:225899,Cc1cc(-c2c(Cl)cccc2OCC2CN(C(=O)OC(C)(C)C)C2)n(C(=O)OC(C)(C)C)n1,KTWBRQSHEHAOLE-UHFFFAOYSA-N
-rxn:4:183890:223279,CC(C)(C)OC(=O)N1CC(COc2c(F)cc(-c3cnc(C4CCCN4)nc3)cc2F)C1,IBPMUDIMKLUWSC-UHFFFAOYSA-N
-rxn:4:183894:224246,CC1CCN(C(=O)c2ccc(-c3cccc(F)c3OCCCN3CCC(C(F)(F)F)CC3)cc2F)CC1,GFVXYLMQUDGONK-UHFFFAOYSA-N
-rxn:4:183900:224327,CC1CCCN(S(=O)(=O)c2cccc(-c3cc(F)ccc3CN(C(=O)OC(C)(C)C)C(C)C)c2)C1,IAPCRURFSXRFEH-UHFFFAOYSA-N
-rxn:4:183906:223179,CCCCOc1cc(S(=O)(=O)N2CCOCC2)ccc1-c1ccc(F)c(C(=O)NOC)c1,BWVLMADAAGXAIM-UHFFFAOYSA-N
-rxn:4:183928:222922,CC(c1ccc(-c2ccccc2S(=O)(=O)NC(C)(C)C)cc1)N(C(=O)OC(C)(C)C)C1CC1,OKSXRICKKSBCAX-UHFFFAOYSA-N
-rxn:4:183928:225561,CC(c1ccc(-c2ccccc2C(=O)OC(C)(C)C)cc1)N(C(=O)OC(C)(C)C)C1CC1,IWQZACGJERBPCD-UHFFFAOYSA-N
-rxn:4:183930:222924,Cc1ccc(CN(C(=O)OC(C)(C)C)C2CC2)c(-c2ccc(C)c(S(=O)(=O)NC(C)C)c2)c1,QCRQAAJQYXWWHJ-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:4:183942:223279,COc1ccc(-c2cnc(C3CCCN3)nc2)c(C(=O)N2CC(S(=O)(=O)CC(C)C)C2)c1,GOTSUMYTZVZUDP-UHFFFAOYSA-N
-rxn:4:183962:224710,CCCCOc1cc(-c2cc(C)cc(OCC3CN(C(=O)OC(C)(C)C)C3)c2)cc(C(F)(F)F)c1,APPKAXJSDOQNKC-UHFFFAOYSA-N
-rxn:4:183963:223527,Cc1cccc(OCC2CN(C(=O)OC(C)(C)C)C2)c1-c1ccc(F)cc1CN1CCN(C(=O)OC(C)(C)C)CC1,XVLNAPJQYVTMLF-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:4:183969:226968,CCOC(=O)C1CCN(S(=O)(=O)c2ccc(-c3ccc4c(c3)OC(C)(C)C4)c(OC)c2)CC1,WPQJGVHGIQSFFY-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:4:183989:223179,CONC(=O)c1cc(-c2cc(F)cc(F)c2CC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)ccc1F,LHLZYJAEHPGDLG-NRFANRHFSA-N
-rxn:4:183993:223179,CONC(=O)c1cc(-c2ccc(C)c(CN(C(=O)OC(C)(C)C)C3CCC3)c2)ccc1F,BUMBXWKVEGKUKT-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:4:183998:223179,CONC(=O)c1cc(-c2ccc(CN(C(=O)OC(C)(C)C)C3CCCC3)c(F)c2)ccc1F,NDJUZCWSAPERLL-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:4:184001:225803,COC(=O)C1(c2ccc(-c3ccnc(OC4CCOCC4)c3)cc2Cl)CCN(C(=O)OC(C)(C)C)C1,RILKVZBXHRTDMS-UHFFFAOYSA-N
-rxn:4:184027:223594,CC(C)(C)OC(=O)N1CCC(COc2ccc(-c3cc(Cl)cc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)cc2F)CC1,FQCNXSXYKHJCGJ-UHFFFAOYSA-N
-rxn:4:184029:223279,CC(C)(C)OC(=O)N1CCC(COc2cccc(-c3cnc(C4CCCN4)nc3)c2F)CC1,VPMNMCQKFOAFKR-UHFFFAOYSA-N
-rxn:4:184032:223279,CC(C)(C)OC(=O)N1CCCCC1COc1cc(F)cc(-c2cnc(C3CCCN3)nc2)c1,SUSNQFAYUXNBLG-UHFFFAOYSA-N
-rxn:4:184040:222833,CC(C)CCC(=O)Nc1cccc(-c2ccccc2C(=O)N2CCC(COCc3ccc(F)cc3)CC2)c1,AIDTYWFYDLYOEL-UHFFFAOYSA-N
-rxn:4:184046:223679,CCN1CCN(S(=O)(=O)c2c(C)cc(-c3cccc(CN(C(=O)c4cccc(OC)c4)C4CCS(=O)(=O)C4)c3)cc2C)CC1,DAAIAYFSBYYEMF-UHFFFAOYSA-N
-rxn:4:184063:223279,Cc1cc(-c2cnc(C3CCCN3)nc2)ccc1CN(C(=O)OC(C)(C)C)C1CCCC1,WYFFBIUTHCXVJR-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:4:184087:223179,CONC(=O)c1cc(-c2ccc(CN(C(=O)C3=C(c4ccccc4)SCCO3)C3CCS(=O)(=O)C3)o2)ccc1F,NVGSYHKPCXWSTK-UHFFFAOYSA-N
-rxn:4:184100:222815,Cc1cc(CN(C(=O)OC(C)(C)C)C2CCC(C)(C)CC2)cc(-c2ccc(S(=O)(=O)NC(=O)C(C)C)cc2)c1,VPTJMRCYMRFAGK-UHFFFAOYSA-N
-rxn:4:184133:224609,CCOC(=O)c1cc2ccc(-c3cnccc3C(=O)N(C(C)C)C(C)C)cc2n1C(=O)OC(C)(C)C,PYPTZXNXZVRACQ-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:4:184168:223891,CC(C)(C)OC(=O)N(Cc1ccc(-c2c(F)ccc3c2ccn3[Si](C)(C)C(C)(C)C)c2ccccc12)C1CC1,ARXXKZFCPRSPKY-UHFFFAOYSA-N
-rxn:4:184181:224623,COc1ccc(C(=O)OC(C)(C)C)c(-c2ccc(CN(C(=O)OC(C)(C)C)C(C)C)c3ccccc23)c1,ZOOUGOPXIBNHJP-UHFFFAOYSA-N
-rxn:4:184207:224744,CC(=O)c1c(C)oc2ccc(N(C(=O)c3ccccc3Cl)S(=O)(=O)c3ccc(-c4cc(Cl)c(C(=O)OC(C)(C)C)cc4F)cc3)cc12,QPEQUIACUUWPOJ-UHFFFAOYSA-N
-rxn:4:184215:223255,CONC(=O)c1cccc(-c2ccc(CN(C(=O)OC(C)(C)C)C3CCOCC3)c3ccccc23)c1,ARWDWWLLISASON-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:4:184225:223179,CONC(=O)c1cc(-c2ccc(S(=O)(=O)N(C(=O)C3CCCCC3)c3ccc4oc(C)c(C(C)=O)c4c3)cc2)ccc1F,LNUKFRIPCGMVFP-UHFFFAOYSA-N
-rxn:4:184389:224834,COC(=O)Cc1c(C#N)cc(C(F)F)cc1-c1cn(S(=O)(=O)N(C)C)nc1C(F)(F)F,VVTFHDCCMAYBFY-UHFFFAOYSA-N
-rxn:4:184390:223569,COC(=O)Cc1ccc(C(F)F)c(-c2cnc3c(ccn3[Si](C(C)C)(C(C)C)C(C)C)c2F)c1C#N,DRVPWIAPRDCPPE-UHFFFAOYSA-N
-rxn:4:184399:223866,COC(=O)Cc1cc(C(F)F)c(-c2ccccc2CN2C(C)(C)CCCC2(C)C)cc1C#N,WRFDTNMCCDMWOD-UHFFFAOYSA-N
-rxn:4:184401:223946,CCN(C(=O)OC(C)(C)C)c1ccc(-c2ccc(CC(=O)OC)c(C(F)F)c2C#N)c(Cl)c1,ZKPCSMKMAXEHQC-UHFFFAOYSA-N
-rxn:4:184693:224845,CC(C)(C)c1cc(-c2cc(OC(F)(F)F)cc(S(=O)(=O)C(C)(C)C#N)c2)cc(C(C)(C)C)c1,QIIKTJONQASSHZ-UHFFFAOYSA-N
-rxn:4:184721:223671,CCOc1cc(C(=O)N(C)OC)cc(-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)c1,VDMMDAUOKVQXLY-UHFFFAOYSA-N
-rxn:4:184764:224716,COC(=O)c1cc(-c2ccc(N(C)C(=O)OC(C)(C)C)nc2)n(C(=O)OC(C)(C)C)c1,IGDXJQUUVBKAJP-UHFFFAOYSA-N
-rxn:4:184890:222998,COC(=O)C1CN(Cc2cc(-c3cc(F)cc(C4CCCNC4)c3)ccc2C(F)(F)F)C1,GIKKJWSQLRMTTE-UHFFFAOYSA-N
-rxn:4:184891:225191,O=C(COc1ccc(C(F)(F)F)cc1-c1cnc(OC2CCCCC2)cc1F)N1CCCC1,WUZVBSMTLSZXHZ-UHFFFAOYSA-N
-rxn:4:184918:223952,CN1CCN(CCOc2ccc(-c3ccccc3OCCCN3CCC(F)(F)C3)cc2Cl)CC1,NXMDWICHIFVNKI-UHFFFAOYSA-N
-rxn:4:184939:222725,CCNS(=O)(=O)c1ccc(-c2ccc(OC)cc2C(=O)N(CC)C(C)C)c(C(F)(F)F)c1,NXSZNZKXMCASKY-UHFFFAOYSA-N
-rxn:4:184965:226559,CN(C(=O)OC(C)(C)C)c1cc(-c2cc(C(=O)OC(C)(C)C)cs2)ccc1C(F)(F)F,QVJFIFHEMFGRRF-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:4:185003:223179,CONC(=O)c1cc(-c2ccc(OCC(=O)N3CCC(C(F)(F)F)CC3)cc2)ccc1F,KUORXFISWCTIIU-UHFFFAOYSA-N
-rxn:4:185026:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3ccc(SC4CN(C(=O)OC(C)(C)C)C4)cc3)c2Cl)CC1,HUFQAVONPYWIHH-UHFFFAOYSA-N
-rxn:4:185028:224420,Cc1cc2c(cc1-c1ccccc1SC1CN(C(=O)OC(C)(C)C)C1)C(C)(C)CCC2(C)C,NZXRQPZDALKPFC-UHFFFAOYSA-N
-rxn:4:185067:223179,CONC(=O)c1cc(-c2cccc(CN3CCC(F)(F)CC3)c2OCC(F)(F)F)ccc1F,HXKBOVVPFNUQTB-UHFFFAOYSA-N
-rxn:4:185079:222824,Cc1cc(F)c(-c2ccc(N(C(=O)OC(C)(C)C)C(C)C)cc2)cc1S(=O)(=O)NC(C)C,GOYOPFNELJYTKP-UHFFFAOYSA-N
-rxn:4:185089:224486,COc1cc(C(=O)N(C(C)C)C(C)C)ccc1-c1cccc(C(=O)N(C(C)C)C(C)C)c1,WXZYQNDMFDYNMN-UHFFFAOYSA-N
-rxn:4:185095:223898,COc1cccc(C(=O)N(C(C)C)C(C)C)c1-c1ccc(N(C(=O)OC(C)(C)C)C(C)C)cc1,PLWDSGZXEKUEFF-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:4:185110:223179,CONC(=O)c1cc(-c2ccc(CN3CCC(OC)CC3)c(OC(F)(F)F)c2)ccc1F,RUPDLOKMYCCBBR-UHFFFAOYSA-N
-rxn:4:185111:222589,COC(=O)C1CCN(C(=O)Cc2ccc(F)cc2-c2ccc(OCCN3CCC(O)CC3)c(Cl)c2)CC1,TYTOWEZHXQPAPM-UHFFFAOYSA-N
-rxn:4:185117:228461,O=C(CS(=O)(=O)c1cccc(-c2cccnc2OC(F)F)c1)N1CCCC(C(F)(F)F)C1,ILMHGRLRHRSECY-UHFFFAOYSA-N
-rxn:4:185118:224833,O=C(CS(=O)(=O)c1cccc(-c2cc(-c3ncon3)cc(C(F)(F)F)c2)c1)N1CCC(C(F)(F)F)CC1,FARPDWHEUNHBSN-UHFFFAOYSA-N
-rxn:4:185118:227775,O=C(CS(=O)(=O)c1cccc(-c2ccc(C(F)(F)F)nc2Cl)c1)N1CCC(C(F)(F)F)CC1,MGMWMGNMLAHTKI-UHFFFAOYSA-N
-rxn:4:185131:222759,COc1ccc(-c2cc(C)cc(NC(=O)OC(C)(C)C)c2)cc1S(=O)(=O)N(C(C)C)C(C)C,WVXNRRMCISPALT-UHFFFAOYSA-N
-rxn:4:185131:222933,COc1ccc(-c2cnc(NC(=O)OC(C)(C)C)nc2)cc1S(=O)(=O)N(C(C)C)C(C)C,WRCZXLCASKLWAS-UHFFFAOYSA-N
-rxn:4:185134:223901,COC(=O)C1CCN(CCc2ccc(-c3ccc(OCCN4CCC(C)CC4)c(Cl)c3)cc2)CC1,AWSXBXKTBGYOTC-UHFFFAOYSA-N
-rxn:4:185143:222829,CNS(=O)(=O)c1ccc(-c2ccc(N(C(=O)CC(C)C)C3C=CS(=O)(=O)C3)cc2)c(C(F)(F)F)c1,BBCVEIXWBGFBSV-UHFFFAOYSA-N
-rxn:4:185148:224485,CC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2ccc(S(=O)(=O)C3CN(C(=O)OC(C)(C)C)C3)cc2)c1,GVVNJRZMZYFIRD-UHFFFAOYSA-N
-rxn:4:185157:223279,COC(=O)c1cc(-c2cnc(C3CCCN3)nc2)ccc1CN1CCCC(C(F)(F)F)C1,WHLPBEYNTILEHE-UHFFFAOYSA-N
-rxn:4:185161:223531,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cc(C(F)(F)F)ccc3C3CN(C(=O)OC(C)(C)C)C3)cc2Cl)CC1,WDOPNXSYXQQOTE-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:4:185165:223578,CC(C)(C)OC(=O)N1CC(c2cc(-c3cnc(N4CCCCC4)nc3OCc3ccccc3)ccc2C(F)(F)F)C1,FPFBQANSIZQKEX-UHFFFAOYSA-N
-rxn:4:185165:223650,CC(C)(C)OC(=O)N1CCN(c2ccccc2-c2ccc(C(F)(F)F)c(C3CN(C(=O)OC(C)(C)C)C3)c2)CC1,LERJWHSAOFOQIT-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:4:185201:223490,COc1cc(C2CN(C(=O)OC(C)(C)C)C2)ccc1-c1ccc(C)c(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1,BNBMVONGIFVHAO-UHFFFAOYSA-N
-rxn:4:185212:223279,CC(C)(C)OC(=O)N1C(Cc2ccc(-c3cnc(C4CCCN4)nc3)cc2)COS1(=O)=O,CISSUVABTBATLI-UHFFFAOYSA-N
-rxn:4:185224:223279,COc1cc(-c2cnc(C3CCCN3)nc2)cc(OC)c1C(=O)N1CCC(C(F)(F)F)CC1,NKBGECYXCHOGQK-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:4:185225:223279,COc1cc(-c2cnc(C3CCCN3)nc2)cc(OC)c1C(=O)N1CCCC(C(F)(F)F)C1,FZIQUEJRVGFJSZ-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:4:185226:223279,COc1cc(-c2cnc(C3CCCN3)nc2)cc(OC)c1C(=O)N1CCCCC1C(F)(F)F,AAVBEVSUXBCKJO-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:4:185248:223179,CONC(=O)c1cc(-c2cc(OC)c(CN3CCCC(C(F)(F)F)C3)c(OC)c2)ccc1F,TUOKJAGNOPOIDN-UHFFFAOYSA-N
-rxn:4:185248:223279,COc1cc(-c2cnc(C3CCCN3)nc2)cc(OC)c1CN1CCCC(C(F)(F)F)C1,SNPUYZQHAVXAES-UHFFFAOYSA-N
-rxn:4:185249:223179,CONC(=O)c1cc(-c2cc(OC)c(CN3CCCCC3C(F)(F)F)c(OC)c2)ccc1F,PPCBWADJSRRCEJ-UHFFFAOYSA-N
-rxn:4:185249:223279,COc1cc(-c2cnc(C3CCCN3)nc2)cc(OC)c1CN1CCCCC1C(F)(F)F,SDMQTYMFIUXYSA-UHFFFAOYSA-N
-rxn:4:185264:223279,CC(C)(C)OC(=O)CN1CC(c2ccc(-c3cnc(C4CCCN4)nc3)cc2)OCC1=O,RPFKMMZNGCJTAL-UHFFFAOYSA-N
-rxn:4:185268:226841,COc1cc(-c2cccc(S(=O)(=O)C3CCN(C(=O)OC(C)(C)C)C3)c2)cnc1C(F)(F)F,URXVAUFQIFPDDK-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:4:185270:227911,CCc1ccc(-c2ccc(C3CCN(C(=O)OC(C)(C)C)C3)c(C(F)(F)F)c2)cc1C#N,DFLWGWXTSAOYBF-UHFFFAOYSA-N
-rxn:4:185306:223060,CCOc1cc(S(=O)(=O)N(C)C2CCCCC2)ccc1-c1cc(Cl)nc(C2CCNCC2)c1,AHWJSKAVSJHFDQ-UHFFFAOYSA-N
-rxn:4:185307:224818,CCCOc1cc(S(=O)(=O)N2CCCC(C)C2)ccc1-c1ccc(S(=O)(=O)N2CCSCC2)cc1,IHIYWWMCBXIWIL-UHFFFAOYSA-N
-rxn:4:185308:224269,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3cn(C(=O)OC(C)(C)C)c4cnccc34)cc2)CC1,QNHVBZUZVWQQSS-UHFFFAOYSA-N
-rxn:4:185316:224076,CC(C)(C)OC(=O)N1CC(c2ccc(-c3ccc4c(ccn4[Si](C)(C)C(C)(C)C)c3)c(C3CC3)c2)C1,NHJIMIFZVWGNKJ-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:4:185348:223179,CCCOc1cc(S(=O)(=O)N2CC(C)OC(C)C2)ccc1-c1ccc(F)c(C(=O)NOC)c1,IUGPVDLFMGNESD-UHFFFAOYSA-N
-rxn:4:185348:223279,CCCOc1cc(S(=O)(=O)N2CC(C)OC(C)C2)ccc1-c1cnc(C2CCCN2)nc1,QPUVGKWQHOOXQE-UHFFFAOYSA-N
-rxn:4:185353:227407,CC(C)(C)c1ncc(Cl)cc1-c1ccc(CC(=O)N2CCC(S(=O)(=O)C(C)(C)C)C2)cc1,KNLSEUNJSCPRMU-UHFFFAOYSA-N
-rxn:4:185355:223480,Cc1cc(-c2cccc(C(=O)C3CCN(C(=O)OC(C)(C)C)CC3)c2)cc(C)c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,XXHIWGVMGZMRRH-UHFFFAOYSA-N
-rxn:4:185356:223279,CC(C)(C)OC(=O)N1CCC(C(=O)c2cc(-c3cnc(C4CCCN4)nc3)ccc2F)CC1,JZYRSRHAWMBGNN-UHFFFAOYSA-N
-rxn:4:185364:223179,CONC(=O)c1cc(-c2ccc(OCc3ccc(Cl)cc3)c(C=C3SC(=S)N(C(C)C)C3=O)c2)ccc1F,ATXNQGRRGMYPBU-UHFFFAOYSA-N
-rxn:4:185365:223179,CONC(=O)c1cc(-c2ccc(OC)cc2C(=O)N2CCOC(c3ccc(C(F)(F)F)cc3)C2)ccc1F,AYBYRPSPBVJYEK-UHFFFAOYSA-N
-rxn:4:185376:223279,CC(C)CS(=O)(=O)C1CCCN(S(=O)(=O)c2ccccc2-c2cnc(C3CCCN3)nc2)C1,FLPUEAOODWJSNS-UHFFFAOYSA-N
-rxn:4:185377:222833,CC(C)CCC(=O)Nc1cccc(-c2ccc(S(=O)(=O)C3CCN(C(=O)OC(C)(C)C)CC3)cc2)c1,IQVSSONEHFDNJX-UHFFFAOYSA-N
-rxn:4:185379:223084,CC(C)(C)OC(=O)N1CCC(C(F)(F)c2cccc(-c3cnc(N4CCC(O)CC4)nc3)c2)CC1,KVYYJNICNHPCKT-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:4:185382:223179,CONC(=O)c1cc(-c2ccc(C(F)(F)F)c(C3CCN(C(=O)OC(C)(C)C)CC3)c2)ccc1F,IVISIAMJNBZKIO-UHFFFAOYSA-N
-rxn:4:185384:223179,CONC(=O)c1cc(-c2ccc(C(F)(F)F)cc2C2CCCN(C(=O)OC(C)(C)C)C2)ccc1F,FXTKMPGVQRGZET-UHFFFAOYSA-N
-rxn:4:185384:224765,CC(C)(C)OC(=O)N1CCCC(c2cc(C(F)(F)F)ccc2-c2cc(C(F)(F)F)ccc2N2CCCC2)C1,NHMLOAZNEGBVOG-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:4:185387:223179,CONC(=O)c1cc(-c2ccc(C3CCN(C(=O)OC(C)(C)C)CC3)c(C(F)(F)F)c2)ccc1F,LIHYAWGWWSZKCZ-UHFFFAOYSA-N
-rxn:4:185387:223279,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:4:185388:223279,CC(C)(C)OC(=O)N1CCCC(c2ccc(-c3cnc(C4CCCN4)nc3)cc2C(F)(F)F)C1,AOQKIZRJLXGPHU-UHFFFAOYSA-N
-rxn:4:185393:223557,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc(C(=O)N4CCC(S(=O)(=O)Cc5ccccc5)CC4)cc3)c(F)ccc21,BESUCVFHHJEBMS-UHFFFAOYSA-N
-rxn:4:185401:223279,CCCOc1cc(S(=O)(=O)N2CC(C)CC(C)C2)ccc1-c1cnc(C2CCCN2)nc1,OZHGLRZNNGOEEI-UHFFFAOYSA-N
-rxn:4:185402:226566,CCCOc1ccc(-c2cc(OC)ccc2C(=O)OC)cc1S(=O)(=O)N1CC(C)CC(C)C1,RDCDWAJLJZUVRY-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:4:185407:223761,COc1ccc(C2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccc(C2CCCN2C(=O)OC(C)(C)C)cc1,IPONLYHHKWKRKK-UHFFFAOYSA-N
-rxn:4:185407:224361,CCN(CC)S(=O)(=O)c1cc(-c2cc(C3CCN(C(=O)OC(C)(C)C)CC3)ccc2OC)ccc1OC,SGQMBYPPTPZIDC-UHFFFAOYSA-N
-rxn:4:185408:222780,CN(C)CCNC(=O)c1cc(F)cc(-c2ccc(C3CC3)c(C3CCN(C(=O)OC(C)(C)C)C3)c2)c1,XGVYWFQFCLSRHJ-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:4:185410:223179,CONC(=O)c1cc(-c2ccc(C3CCN(C(=O)OC(C)(C)C)C3)cc2C2CC2)ccc1F,NZXJPKQPXZPJFA-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:4:185414:224271,Cc1cc(Cl)cc(-c2cc3cccnc3n2C(=O)OC(C)(C)C)c1OC1CCN(C(=O)OC(C)(C)C)CC1,PKQQDHKNVADKRR-UHFFFAOYSA-N
-rxn:4:185415:223279,O=C(CC1CCCCC1)N(c1ccc(-c2cnc(C3CCCN3)nc2)cc1)C1C=CS(=O)(=O)C1,HTBKXNQBIQGHDW-UHFFFAOYSA-N
-rxn:4:185415:225640,CC1CCCCN1c1cc(-c2ccc(N(C(=O)CC3CCCCC3)C3C=CS(=O)(=O)C3)cc2)ccn1,LTUWKIVTCODRJB-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:4:185423:222929,CC(C)(C)OC(=O)N1CCOC(c2cc(-c3cnc(Cl)c(N4CCC(O)CC4)c3)cc(C3CC3)c2)C1,XTBVKQHDXAHSMA-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:4:185428:227315,CC(C)Cc1cc(F)c(-c2cc(C(C)(C)C)ccc2OCC(=O)N2CCC(C)CC2)cn1,VPKMRTOMGPAUJG-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:4:185438:223179,CONC(=O)c1cc(-c2ccc(S(=O)(=O)N3CCC(O[Si](C)(C)C(C)(C)C)CC3)cc2)ccc1F,PZGDXTAMROWPEO-UHFFFAOYSA-N
-rxn:4:185448:226844,CC(C)(C)OC(=O)N1CCC(c2cc(-c3ccnc(C(=O)C(F)(F)F)c3)cc(C3CCOCC3)c2)CC1,ZHBVFMMMHXTNNO-UHFFFAOYSA-N
-rxn:4:185525:222685,Cc1cc(F)c(NC(=O)OC(C)(C)C)cc1-c1ccc(S(=O)(=O)N(C(=O)C(C)C)c2ccc3oc(=O)sc3c2)cc1,WWTIYEWBBCPYFM-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:4:185557:224156,CC(C)(C)OC(=O)n1ccc2c(OC(C)(C)C)c(F)cc(-c3cc4ccccc4n3C(=O)OC(C)(C)C)c21,RZNRVHIVZVRHJK-UHFFFAOYSA-N
-rxn:4:185567:223179,CONC(=O)c1cc(-c2ccccc2CCC(=O)N2C3CCC2CC(S(C)(=O)=O)C3)ccc1F,QFFYUPRFFSUGBN-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:4:185580:223179,CCN(C(=O)c1cc2cc(-c3ccc(F)c(C(=O)NOC)c3)cc(OC)c2oc1=O)C1CCCCC1,QFIQWHWDEVCVQE-UHFFFAOYSA-N
-rxn:4:185600:223568,Cc1c(C(=O)N(Cc2ccccc2F)C2CCS(=O)(=O)C2)oc2ccc(-c3cnc4c(ccn4[Si](C(C)C)(C(C)C)C(C)C)c3Cl)cc12,FMMREVRJDGFGLR-UHFFFAOYSA-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:4:185644:223179,CONC(=O)c1cc(-c2ccc3oc4c(c(=O)c3c2)C(c2ccc(C(=O)OC)cc2)N(CC2CCCO2)C4=O)ccc1F,VUBIGPZKDYXXTQ-UHFFFAOYSA-N
-rxn:4:185647:228388,Cc1cnc(C(F)F)cc1-c1ccc2c(c1)CC[C@H]1N(C(=O)OC(C)(C)C)CC[C@@]21S(=O)(=O)c1ccc(F)cc1,NXEPAGCTFHILLX-PDDLMNHVSA-N
-rxn:4:185799:223636,CCOC(=O)c1cc(-c2ccc(C3CCCN(C(=O)OC(C)(C)C)C3)cc2)ccc1C#N,QKCHOXVIPQCCCZ-UHFFFAOYSA-N
-rxn:4:186306:223591,CN(C)CCOc1ccc(-c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)ccc2F)cc1Cl,SDVQOCXDOPGWSB-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:4:186742:224599,O=C(c1ccc(F)c(-c2cc(OC(F)(F)F)cc(C(=O)N3CCCC3)c2)c1)C1CCCCC1,LAZFBWHXGONMOH-UHFFFAOYSA-N
-rxn:4:186829:223579,CCN(CC)Cc1cc(C)ccc1-c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2C)cc1,ALSAXJQIPLLCSI-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:4:186975:224501,CN1CCCCC1COc1ccc(-c2ccc(Cl)c(OCC(=O)N3CCCCC3)c2)cc1,OHSPNLIVTCPDNX-UHFFFAOYSA-N
-rxn:4:187026:223279,O=C1CCN(S(=O)(=O)c2cc(-c3cnc(C4CCCN4)nc3)ccc2OC(F)(F)F)CC1,MRFGEVBKAHFZLC-UHFFFAOYSA-N
-rxn:4:187027:223279,O=C(c1cc(OC(F)(F)F)cc(-c2cnc(C3CCCN3)nc2)c1)N1CCC(F)(F)CC1,LIJFNLPHGBOMKC-UHFFFAOYSA-N
-rxn:4:187051:224168,CCN(C(=O)OC(C)(C)C)c1cccc(-c2ccc(F)cc2C(=O)N(C(C)C)C(C)C)c1,BOZJTIWUHPGUFH-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:4:187187:222542,COC(=O)c1cc(-c2ccc(C)c(OCCCN3CCNCC3)c2)ccc1CN1CCCCC1,GMUVEWIOCNYGEO-UHFFFAOYSA-N
-rxn:4:187250:223970,COC(=O)c1ccc(-c2ccc(C)c(S(=O)(=O)N3CCC(C)CC3)c2)c(CN2CCCC(F)(F)C2)c1,BRKOGOFMQWEFPR-UHFFFAOYSA-N
-rxn:4:187275:223557,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccccc3C(=O)N3CC(S(=O)(=O)c4ccc(F)cc4)C3)c(F)ccc21,GYUJEXXITHZNKK-UHFFFAOYSA-N
-rxn:4:187276:223255,CONC(=O)c1cccc(-c2cc(C(F)(F)F)cc(S(=O)(=O)N3CCC(C(F)(F)F)CC3)c2)c1,ULTCMSNUFWZZKK-UHFFFAOYSA-N
-rxn:4:187281:224249,CC1CCN(CCOc2cccc(-c3cc(C(=O)N4CCCC(C)C4)ccc3F)c2)CC1,OJGMIASEUZEJPU-UHFFFAOYSA-N
-rxn:4:187299:223568,Cc1ccc(C(=O)N(C(C)C)C(C)C)cc1-c1cnc2c(ccn2[Si](C(C)C)(C(C)C)C(C)C)c1Cl,KDJRPGBXYHLSQD-UHFFFAOYSA-N
-rxn:4:187318:223787,COC(=O)c1ccc(-c2ccc(OCCCN3CCN(C)CC3)c(F)c2)c(CN2CCOC(C)C2)c1,VLSFCIYIQYYKTI-UHFFFAOYSA-N
-rxn:4:187318:224089,COC(=O)c1ccc(-c2ccc(OCCN3CCC(C)CC3)cc2)c(CN2CCOC(C)C2)c1,KMNUQOWKMYLQNI-UHFFFAOYSA-N
-rxn:4:187318:224589,COC(=O)c1ccc(-c2ccc(F)cc2CN2CCC(C)CC2)c(CN2CCOC(C)C2)c1,HWRVWPDWHVMKHA-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:4:187418:224416,CC(C)(C)OC(=O)N1CCC(c2cccc(-c3cnc(C(F)(F)C(F)(F)C(F)(F)F)nc3)c2)C1,FZKCFUANMQRRKI-UHFFFAOYSA-N
-rxn:4:187422:223889,COC(=O)c1cc(-c2cccc3c2CN(C(=O)OC(C)(C)C)CC3)cc(N(C)C2CCCC2)c1C,CRXNDBSEVSTNCD-UHFFFAOYSA-N
-rxn:4:187437:222787,Cc1ccc(C2CN(C(=O)OC(C)(C)C)C2)c(-c2ccc(NC(=O)OC(C)(C)C)cc2Cl)c1,KJOQWIIZXBYQKF-UHFFFAOYSA-N
-rxn:4:187437:224162,Cc1ccc(C2CN(C(=O)OC(C)(C)C)C2)c(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CC3)c1,MVPZQHVAQGUZHH-UHFFFAOYSA-N
-rxn:4:187438:223898,Cc1cc(-c2ccc(N(C(=O)OC(C)(C)C)C(C)C)cc2)cc(C2CN(C(=O)OC(C)(C)C)C2)c1,IUXXTYIBDGTNGP-UHFFFAOYSA-N
-rxn:4:187474:223999,CC1CCN(S(=O)(=O)c2ccc(F)c(-c3ccn([Si](C(C)C)(C(C)C)C(C)C)c3)c2)CC1,ZOAFZZLDIQVDQJ-UHFFFAOYSA-N
-rxn:4:187550:223179,CONC(=O)c1cc(-c2cc(OC)c(S(=O)(=O)N3CCCCCC3)cc2OC)ccc1F,XHNPNBTVTGQDSL-UHFFFAOYSA-N
-rxn:4:187551:223179,CONC(=O)c1cc(-c2cc(OC)c(S(=O)(=O)N3CCCCC3C)cc2OC)ccc1F,KWAAHKHWUIAADF-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:4:187554:225344,CC(C)Oc1ncc(C(F)(F)F)cc1-c1cccc(C(=O)N2CCC(S(=O)(=O)C(C)(C)C)C2)c1,SHTVCDFFBUNFMS-UHFFFAOYSA-N
-rxn:4:187557:222426,CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)Nc1ccc(-c3ccc([C@H]4CCCC(=O)N4C(=O)OC(C)(C)C)cc3)cc12,SNRLRMOHUOKRCF-AREMUKBSSA-N
-rxn:4:187557:223799,CC(C)(C)OC(=O)N1C(=O)CCC[C@@H]1c1ccc(-c2ccc(C(F)(F)F)c(OCc3ccccc3)c2)cc1,HBNLTMJSDKKBAF-RUZDIDTESA-N
-rxn:4:187561:223279,CC(C)(C)S(=O)(=O)C1CCN(C(=O)c2cc(-c3cnc(C4CCCN4)nc3)ccc2Cl)C1,IBNRIENAWSZSDV-UHFFFAOYSA-N
-rxn:4:187561:223882,Cc1cccc2c1cc(-c1ccc(Cl)c(C(=O)N3CCC(S(=O)(=O)C(C)(C)C)C3)c1)n2C(=O)OC(C)(C)C,PREXQYFYRPQGAU-UHFFFAOYSA-N
-rxn:4:187561:227409,CC(C)(C)c1cc(-c2ccc(Cl)c(C(=O)N3CCC(S(=O)(=O)C(C)(C)C)C3)c2)c(F)cn1,HIZMEPWRGCDKQK-UHFFFAOYSA-N
-rxn:4:187561:227670,CC(F)(F)c1cc(F)cc(-c2ccc(Cl)c(C(=O)N3CCC(S(=O)(=O)C(C)(C)C)C3)c2)c1,BVRLHAXPVAXSHX-UHFFFAOYSA-N
-rxn:4:187561:227737,Cc1cc(C(F)(F)F)ncc1-c1ccc(Cl)c(C(=O)N2CCC(S(=O)(=O)C(C)(C)C)C2)c1,HCHOZEIMDHTUBX-UHFFFAOYSA-N
-rxn:4:187570:226016,Cc1cc(OCC(=O)N2CCC(C)CC2)cc(C)c1-c1ccc(OCC(F)(F)F)cc1Cl,LTYHQZRCPCLLEV-UHFFFAOYSA-N
-rxn:4:187575:222928,Cc1nc(N2CCC(O)CC2)ncc1-c1cccc(C2CCCN(C(=O)OC(C)(C)C)C2)c1,NNLMRLYWMGJNNI-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:4:187591:223179,CONC(=O)c1cc(-c2ccc(F)cc2C2CCCN(C(=O)OC(C)(C)C)C2)ccc1F,VRIQPVRYJLXMKM-UHFFFAOYSA-N
-rxn:4:187592:223673,CC(C)(C)OC(=O)N1CCC(c2ccc(F)c(-c3cccc(COc4cc(C(F)(F)F)ccc4Cl)c3)c2)CC1,UZXIKEDAYXKKHK-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:4:187596:223084,CC(C)(C)OC(=O)N1CCC(c2cc(-c3cnc(N4CCC(O)CC4)nc3)ccc2F)CC1,LMVXHHHFBHWDHG-UHFFFAOYSA-N
-rxn:4:187597:223183,CNS(=O)(=O)c1ccc(-c2cccc(C(=O)N3CC(S(=O)(=O)C4CCCCC4)C3)c2)c(C)c1,APFVNMLDDNBPFX-UHFFFAOYSA-N
-rxn:4:187598:223279,O=C(c1ccccc1-c1cnc(C2CCCN2)nc1)N1CC(S(=O)(=O)C2CCCCC2)C1,CXBYVRZMCLTJDD-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:4:187648:223279,CC(C)(C)OC(=O)N1CCCC(C)(c2ccc(-c3cnc(C4CCCN4)nc3)cc2)C1=O,BAQWVMGQSDRUNF-UHFFFAOYSA-N
-rxn:4:187657:225203,CCN(C1CCCCC1)S(=O)(=O)c1cc(C)c(C)cc1-c1cc(C(F)(F)F)c(C2CC2)cc1C,ACDXFMSIICLBPI-UHFFFAOYSA-N
-rxn:4:187659:223930,Cc1cc2c(cnn2C(=O)OC(C)(C)C)cc1-c1ccc(C2(C)CCN(C(=O)OC(C)(C)C)CC2)cc1,BKPYJEWYOSTHKE-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:4:187664:223179,CONC(=O)c1cc(-c2ccc(C3CCN(C(=O)OC(C)(C)C)CC3)c(C)c2)ccc1F,IPWNYYYVKLJTHX-UHFFFAOYSA-N
-rxn:4:187667:223121,Cc1c(-c2ccc(C(=O)NC3CC3)cc2)cccc1C1CCCN(C(=O)OC(C)(C)C)C1,KFIYJUAEVOYQIC-UHFFFAOYSA-N
-rxn:4:187667:223179,CONC(=O)c1cc(-c2cccc(C3CCCN(C(=O)OC(C)(C)C)C3)c2C)ccc1F,HPVDLGSOPNCPDZ-UHFFFAOYSA-N
-rxn:4:187669:222725,CCNS(=O)(=O)c1ccc(-c2ccc(C3(C)CCCN(C(=O)OC(C)(C)C)C3)cc2)c(C(F)(F)F)c1,PBQFTWXXWFAQNN-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:4:187791:223557,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc4c(c3)oc(=O)n4CC(=O)OC(C)(C)C)c(F)ccc21,SBKFHBJRCYZJKQ-UHFFFAOYSA-N
-rxn:4:187825:223946,CCN(C(=O)OC(C)(C)C)c1ccc(-c2cn(C(=O)OC(C)(C)C)c3cc(OC)ccc23)c(Cl)c1,BPSVUJXJMSBLGC-UHFFFAOYSA-N
-rxn:4:187847:224174,CCN(C(=O)OC(C)(C)C)c1ccc(-c2cc3c(cc2C(F)F)N(C(=O)OC(C)(C)C)CC3)cc1,KJSKTWVVHJBCMI-UHFFFAOYSA-N
-rxn:4:187861:222545,CCC(C)n1cc(C)c2c(C(=O)OC)cc(-c3ccc(C(C)(C)NC(=O)OC(C)(C)C)cc3)cc21,FMYMNQPAYPUXII-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:4:187918:223179,CONC(=O)c1cc(-c2cc3c(c(OC)c2)OCCN(C(=O)OC(C)(C)C)C3)ccc1F,MOHQVMQEKFVWDO-UHFFFAOYSA-N
-rxn:4:187942:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2cccc3c2cc([Si](C)(C)C)n3C(=O)OC(C)(C)C)cc1,CFJVOBMISLZERX-UHFFFAOYSA-N
-rxn:4:187948:223279,COc1ccc(-c2cnc(C3CCCN3)nc2)c(C(=O)N2C3CCC2CC(S(C)(=O)=O)C3)c1,CSTLEKNRXLLTJF-UHFFFAOYSA-N
-rxn:4:187950:224485,CC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2ccc(C(=O)N3C4CCC3CC(S(=O)(=O)c3ccccc3)C4)o2)c1,IGNVFSMZWCAFJS-UHFFFAOYSA-N
-rxn:4:187961:224082,CCC(C(=O)OC(C)(C)C)c1cccc(-c2ccc(-n3c(CC(=O)OC)cc4c3CC(C)(C)CC4=O)cc2)c1,GZLXEPMFUVIFKL-UHFFFAOYSA-N
-rxn:4:187969:224721,Cc1nn(CC(=O)OC(C)(C)C)c(C)c1-c1cccc2c1ccn2[Si](C(C)C)(C(C)C)C(C)C,FBKQSHQFVCPGOT-UHFFFAOYSA-N
-rxn:4:187991:223179,CONC(=O)c1cc(-c2ccccc2C(=O)Oc2ccc(N3C(=O)C4CCC(C)CC4C3=O)cc2)ccc1F,UPDBWBZZGNLPGE-UHFFFAOYSA-N
-rxn:4:188013:223279,O=C(Oc1ccc(N2C(=O)C3C4CCC(C4)C3C2=O)cc1)c1ccc(-c2cnc(C3CCCN3)nc2)cc1,NXKBDSISKXELAY-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:4:188026:226844,CC(C)c1ccc(C2c3c(oc4ccc(-c5ccnc(C(=O)C(F)(F)F)c5)cc4c3=O)C(=O)N2CC2CCCO2)cc1,XBSFZJMRGANRTF-UHFFFAOYSA-N
-rxn:4:188681:223893,CCN1CCN(CCOc2cccc(-c3ccc(OC(F)(F)F)c(S(N)(=O)=O)c3)c2)CC1,XQCWCXRFKQFYNF-UHFFFAOYSA-N
-rxn:4:188893:223810,COC(=O)c1cc(C)c(-c2cc(C)c(S(=O)(=O)N3CCC(C)CC3)c(C)c2)cc1[N+](=O)[O-],CMCLDQIHGJQBQS-UHFFFAOYSA-N
-rxn:4:189378:222714,CN(C)S(=O)(=O)c1cc(-c2cc(NC(=O)OC(C)(C)C)cc(F)c2F)cc(C(F)(F)F)c1,OTXMGCRCKVMSLF-UHFFFAOYSA-N
-rxn:4:189378:224408,CN(C)S(=O)(=O)c1cc(-c2cc(C(F)(F)F)nn2C(=O)OC(C)(C)C)cc(C(F)(F)F)c1,NSOJDTUROAWQMQ-UHFFFAOYSA-N
-rxn:4:189517:223103,CC(C)(C)NS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)cc(S(=O)(=O)N3CC(F)(F)C3)c2)s1,XGMXPCJPMLFYOQ-UHFFFAOYSA-N
-rxn:4:189648:223841,Cc1cc(F)c(-c2ccc(OCC3CCCOC3)nc2)cc1S(=O)(=O)N1CCN(C)CC1,QPYKMZNPRVWJCH-UHFFFAOYSA-N
-rxn:4:189926:222623,CCC(C)c1cc(-c2ccc(CS(=O)(=O)N3CCOCC3)cc2)cc(C2CCNCC2)n1,CDIHAQGINQEEJM-UHFFFAOYSA-N
-rxn:4:189938:222718,COC1CCN(S(=O)(=O)c2cccc(-c3cc(S(=O)(=O)N4CCNCC4)ccc3C)c2)C1,AICGXSLQMVHQOH-UHFFFAOYSA-N
-rxn:4:190006:223899,COc1cc(C(=O)N(C(C)C)C(C)C)ccc1-c1ccc(F)c(C(C)=NS(=O)C(C)(C)C)c1,ICGCSECPXMJBIO-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:4:190156:223699,COc1ccc(S(=O)(=O)N2CCC(=O)CC2)cc1-c1ccc(S(=O)(=O)N2CCOCC2)cc1C(F)(F)F,YLGHHDSIAYYQQR-UHFFFAOYSA-N
-rxn:4:190168:223867,COC(=O)c1cc(F)c(N2CCC(F)(F)CC2)cc1-c1cccc(OCCCN2CCC(C)CC2)c1,BNLORRRAJZFTII-UHFFFAOYSA-N
-rxn:4:190180:222825,CC(C)(C)NS(=O)(=O)c1ccc(Cl)cc1-c1cc(C(F)(F)F)cc(S(=O)(=O)N2CCC(F)(F)CC2)c1,GGIKEZRXQFYRFZ-UHFFFAOYSA-N
-rxn:4:190213:222702,COc1ccc(S(=O)(=O)N2CCCCC2)cc1-c1cc(C2CCCNC2)ccc1C(F)(F)F,DGOYJUKPFSMCME-UHFFFAOYSA-N
-rxn:4:190228:222604,COc1ccc(-c2ccc(C3CCCN3S(=O)(=O)C3CC3)cc2)cc1S(=O)(=O)NC1CCCC1,RTRSBISFZRYZNN-UHFFFAOYSA-N
-rxn:4:190301:223898,Cc1cc(C(C)(C)O[Si](C)(C)C)ncc1-c1ccc(N(C(=O)OC(C)(C)C)C(C)C)cc1,KDLPCSBUFLAFMW-UHFFFAOYSA-N
-rxn:4:190304:223597,CC1CCN(CCc2ccc(-c3ccc(OCCN4CCC5(CC4)OCCO5)c(Cl)c3)cc2)CC1,WRPAFVVOLILTJR-UHFFFAOYSA-N
-rxn:4:190327:222817,COc1ccc(S(=O)(=O)NC2CC2)cc1-c1cc(S(C)(=O)=O)ccc1CN1CCCCC1,IPKIFQQDPBRKPS-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:4:190463:223179,CONC(=O)c1cc(-c2cc(C)c(S(=O)(=O)N3CC(C)OC(C)C3)cc2OC)ccc1F,SBTGCPJCFPZNPR-UHFFFAOYSA-N
-rxn:4:190477:223279,COc1ccc(-c2cnc(C3CCCN3)nc2)c(C(=O)N2CC3(COC(C)(C)OC3)C2)c1,KLDCIRJRDLPOSK-UHFFFAOYSA-N
-rxn:4:190484:224188,CC(C)N(C(=O)c1ccc(-c2cccc(C(=O)N3CCC(c4ccccc4Cl)S(=O)(=O)CC3)c2)c(Cl)c1)C(C)C,CCKRNWHPWSWWPM-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:4:190548:223888,CC(C)(C)OC(=O)N1CCCc2ccc(-c3cc(Cl)cc4c(OS(=O)(=O)C(F)(F)F)ccnc34)cc21,QPGFFFQYPQMVOD-UHFFFAOYSA-N
-rxn:4:190823:223788,CC(C)(C)OC(=O)N1CC(Oc2ccc(-c3ccc4c(c3)CN(C(=O)OC(C)(C)C)C4=O)cc2)C1,HIUBOWACLFJQKL-UHFFFAOYSA-N
-rxn:4:190826:223636,CC(C)(C)OC(=O)N1CCCC(c2ccc(-c3ccc4c(c3)C(=O)N(C(=O)OC(C)(C)C)C4)cc2)C1,AWWZNJVNVAZOSB-UHFFFAOYSA-N
-rxn:4:190833:223638,CC(C)(C)OC(=O)N1CCCC(c2cccc(-c3ccc(Cl)c4c3C(=O)N(C(=O)OC(C)(C)C)C4)c2)C1,HKDOSPLFYJMLMU-UHFFFAOYSA-N
-rxn:4:190847:222465,CC(C)(C)OC(=O)N1CCc2scc(-c3cc(C4CCCCC4)nc(C4CCCNC4)c3)c2C1,OZQOOQSBWBTKTE-UHFFFAOYSA-N
-rxn:4:190886:222523,Cc1c(-c2ccc(S(=O)(=O)NC(C)(C)C)cc2C(F)(F)F)c2ccccc2n1C(=O)OC(C)(C)C,QUINLBRVSIURFH-UHFFFAOYSA-N
-rxn:4:190934:224722,CN(C(=O)OC(C)(C)C)c1cc(-c2ccc3c(c2)C(=O)N(C(=O)OC(C)(C)C)CC3)ccn1,JBHRNQSXPXQNAP-UHFFFAOYSA-N
-rxn:4:190960:223570,CC1c2cc(-c3c(F)ncc4c3ccn4[Si](C(C)C)(C(C)C)C(C)C)ccc2CN1C(=O)OC(C)(C)C,QHGSRFIHVNWBIE-UHFFFAOYSA-N
-rxn:4:190965:224970,CC(C)(C)OC(=O)N1CCc2c(-c3ccc(S[Si](C)(C)C(C)(C)C)cc3)ccc(F)c2C1,QAQISKNRQQVBGV-UHFFFAOYSA-N
-rxn:4:190975:223079,CC(C)NS(=O)(=O)c1cccc(-c2ccc3c(c2)C(F)(F)CCN3C(=O)OC(C)(C)C)c1,WZPPQRXDOZFTMA-UHFFFAOYSA-N
-rxn:4:190976:222796,Cc1ccc(S(=O)(=O)NC(C)(C)C)cc1-c1ccc2c(c1)C(F)(F)CN(C(=O)OC(C)(C)C)C2,YMNZIYNKSYDEMO-UHFFFAOYSA-N
-rxn:4:191008:222899,CCCCNS(=O)(=O)c1ccc(-c2ccc3c(c2)C(=O)N(C(=O)OC(C)(C)C)C3(C)C)cc1,GODJOZMASYDGIZ-UHFFFAOYSA-N
-rxn:4:191028:222606,COC(=O)C1=CN(c2ccc(-c3cccc(C(F)(F)F)c3C(=O)NC(C)(C)C)c(C)c2)c2ccc(F)cc2S1(=O)=O,TVCGBSMWRRSEBR-UHFFFAOYSA-N
-rxn:4:191030:224864,CC(C)N(Cc1ccc(-c2ccc3c(c2)C(C)(C)N(C(=O)OC(C)(C)C)C3)cc1)C(C)C,KCKZVONXQOSUBO-UHFFFAOYSA-N
-rxn:4:191032:222922,CC(C)(C)NS(=O)(=O)c1ccccc1-c1cc2c(s1)C(C)(C)N(C(=O)OC(C)(C)C)CC2,RPMWUMMGYHOVLY-UHFFFAOYSA-N
-rxn:4:191039:222910,CCCNS(=O)(=O)c1ccc(-c2ccc3c(c2)C(C)(C)CN3C(=O)OC(C)(C)C)c(C)c1,QAGSZEUDOSKZCF-UHFFFAOYSA-N
-rxn:4:191089:225563,CC(C)(C)OCc1ccc(F)cc1-c1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2(C)C,VIRSPCPEYKYSFU-UHFFFAOYSA-N
-rxn:4:191091:225128,COC(=O)C1(c2ccc(F)c(-c3cccc4c3CN(C(=O)OC(C)(C)C)CC4(C)C)c2)CC1,MNGSDKMMEPCAOI-UHFFFAOYSA-N
-rxn:4:191092:226523,CC(C)(C)OC(=O)c1ccc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)C(C)(C)C3)s1,LKPFJZAEUZITOO-UHFFFAOYSA-N
-rxn:4:191094:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2ccc3c(c2)C2(CCCC2)C(=O)N3C(=O)OC(C)(C)C)cc1,IRXAERMXYDCADJ-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:4:191097:223093,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3cncc(NS(=O)(=O)C(C)C)c3)cc21,LDIOLBAFHTXYEQ-UHFFFAOYSA-N
-rxn:4:191103:222912,CC(C)CNS(=O)(=O)c1ccc(-c2ccc3c(c2)C2(C=C3)CCN(C(=O)OC(C)(C)C)CC2)cc1,ABUVLQMLWJPEJV-UHFFFAOYSA-N
-rxn:4:191106:223179,CONC(=O)c1cc(-c2ccc3c(c2)C2(CCOCC2)CN3C(=O)OC(C)(C)C)ccc1F,QSDFFVFJQMWYGK-UHFFFAOYSA-N
-rxn:4:191116:223179,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:4:191117:224420,Cc1cc2c(cc1-c1cccc3c1C1(CCN(C(=O)OC(C)(C)C)CC1)CC3=O)C(C)(C)CCC2(C)C,YSZIFTMOXUMGAS-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:4:191118:223590,Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1-c1ccc2c(c1)C1(CCN(C(=O)OC(C)(C)C)CC1)CC2=O,BDWLXWHUPDGYDG-UHFFFAOYSA-N
-rxn:4:191118:223788,CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)c1ccc(-c3ccc(OC4CN(C(=O)OC(C)(C)C)C4)cc3)cc12,VFYKNLZBZROXSR-UHFFFAOYSA-N
-rxn:4:191119:225105,CCN(CC)C(=O)c1ccc(-c2ccc3c(c2)C(=O)C2(CCN(C(=O)OC(C)(C)C)CC2)C3)cc1F,FNKSKOUUCWNFAK-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
-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:4:191126:223179,CONC(=O)c1cc(-c2ccc3c(c2)C(=O)CC2(CCN(C(=O)OC(C)(C)C)CC2)O3)ccc1F,WBUGLANAGBDJSF-UHFFFAOYSA-N
-rxn:4:191126:223589,Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1ccc2c(c1)C(=O)CC1(CCN(C(=O)OC(C)(C)C)CC1)O2,UHRGWERBJOHMHO-UHFFFAOYSA-N
-rxn:4:191129:224278,CC(C)(C)OC(=O)N1CCC2(CCc3cc(-c4cnc5c(ccn5C(=O)OC(C)(C)C)c4)ccc3O2)CC1,ZRARBBMIMYFZEO-UHFFFAOYSA-N
-rxn:4:191149:222945,CC(C)NS(=O)(=O)c1ccc(-c2cccc3c2C2CCC3N2C(=O)OC(C)(C)C)cc1F,XWZRIMOURKBNQC-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:4:191195:223179,CONC(=O)c1cc(-c2cc3c(c4c2CCC4)N(C(=O)OC(C)(C)C)C(C)(C)C(=O)C3C)ccc1F,BGRLFMSPXCPAKF-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:4:193131:222514,COc1ccc(-c2ccc(S(=O)(=O)N=C3C=CC(=O)C=C3)cc2)cc1S(=O)(=O)NC1CCCCC1,VENWAWOFYDKUPR-UHFFFAOYSA-N
-rxn:4:193292:222820,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc(N3CCCS3(=O)=O)cc2C(F)(F)F)cc1F,ZEEFDHNPZDYCLQ-UHFFFAOYSA-N
-rxn:4:193340:223687,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3ccc(CN4CCOCC4)c(F)c3)cn2)CC1,NEHBWZOIOPCVIU-UHFFFAOYSA-N
-rxn:4:193472:223900,CC(C)(C)[Si](C)(C)OCCc1ccc(-c2cc(C(=O)N3CCCCC3)ccc2F)cc1F,CYLAHUZXQNCJFC-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:4:193745:223999,CC1CCN(S(=O)(=O)c2ccc(F)c(-c3cc(C4CC4)ccc3N3CCOCC3)c2)CC1,FWSAXDUKRREBLV-UHFFFAOYSA-N
-rxn:4:193797:223787,CC1CCN(Cc2ccc(-c3ccc(OCCCN4CCN(C)CC4)c(F)c3)cc2)CC1,QIADEACHRXDWDT-UHFFFAOYSA-N
-rxn:4:193815:223892,CC1CCN(Cc2cc(F)cc(-c3ccc(OCCCN4CCN(C)CC4)cc3)c2)CC1,GWDPZWUBQXOXEG-UHFFFAOYSA-N
-rxn:4:193827:223695,CC1CCN(S(=O)(=O)c2ccc(-c3cccc(S(=O)(=O)N4CCC5(CC4)OCCO5)c3)cc2)CC1,VPIJUSMFZLCTIQ-UHFFFAOYSA-N
-rxn:4:193836:222466,CC1CCN(S(=O)(=O)c2cccc(-c3cc(C4CCCCC4)nc(C4CCNCC4)c3)c2)CC1,XQRCKFWYHVYCCF-UHFFFAOYSA-N
-rxn:4:193855:224379,Cc1cc(S(=O)(=O)N2CCC[C@H]2C)ccc1-c1ccccc1S(=O)(=O)N1CCN(C)CC1,STPBZAJMXRBSST-LJQANCHMSA-N
-rxn:4:193886:225328,CCCSc1ncc(C(F)(F)F)cc1-c1ccc(S(=O)(=O)N2CCC(F)(F)CC2)cc1C,NUJWUTVPEARWCZ-UHFFFAOYSA-N
-rxn:4:193933:223832,COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1-c1cc(C)cc(C(=O)N2CCC(C)CC2)c1F,WMZCPUYDSCXGKH-UHFFFAOYSA-N
-rxn:4:193933:224100,Cc1cc(C(=O)N2CCC(C)CC2)c(F)c(-c2ccccc2OCCN2CCC(C)CC2)c1,PGLUADNYLRKJBG-UHFFFAOYSA-N
-rxn:4:194529:223529,Cc1cc(OC(C)C)nc2ccc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)c(F)c3)cc12,UPUXIWHVGYEVIY-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:4:194697:222636,C[C@@H](NC(=O)OC(C)(C)C)c1ccc(-c2ccc3c(c2)C(=NS(=O)C(C)(C)C)CCC3)cc1,JRYUZSUGPDMPJU-FNPLBGOPSA-N
-rxn:4:194791:223104,O=C1C2C(c3ccc(Cl)cc3)OC3(C(=O)c4ccccc4C3=O)C2C(=O)N1c1ccccc1-c1ccc(NC(=O)C(F)(F)F)cc1,MMZXKGPRYWZFBB-UHFFFAOYSA-N
-rxn:4:194819:223789,COC(=O)c1cc(O[Si](C)(C)C(C)(C)C)cc(-c2ccc3c(c2)c2c(n3CC(C)C)CCCC2)c1,NDTODMYAEUOMOB-UHFFFAOYSA-N
-rxn:4:197952:224740,CN(C(C)(C)C)S(=O)(=O)c1cccc(-c2cccc3c2CCC3N2CCCC(F)(F)C2)c1,OKZMVZCRKGRXKE-UHFFFAOYSA-N
-rxn:4:199500:224883,COC(=O)C(C(=O)OC(C)(C)C)c1ncc(-c2ccc(C(C)N3CCCCC3)cc2)cn1,VLCRROJBDQVIKB-UHFFFAOYSA-N
-rxn:4:199524:224718,CCOCC(=O)N1CCC(Oc2ncccc2-c2ccc(OCCN3CCOCC3)nc2)C1,FNIJUVBJPYLIJD-UHFFFAOYSA-N
-rxn:4:199574:225915,CCOc1cc(-c2cc([N+](=O)[O-])ccc2OCCN2CCCC(C(F)(F)F)C2)ccc1C(F)(F)F,UQVOCDPAHZNNLS-UHFFFAOYSA-N
-rxn:4:199577:225061,CC1CCN(c2ccc(-c3cc(OC(F)(F)F)ccc3OCC(=O)N3CCN(C)CC3)c(F)c2)CC1,HZWZAXOPDFERES-UHFFFAOYSA-N
-rxn:4:199577:225728,CCCCOc1ccc(-c2cc(OC(F)(F)F)ccc2OCC(=O)N2CCN(C)CC2)c(F)c1F,KSDVASZIRAHULB-UHFFFAOYSA-N
-rxn:4:199596:223179,CONC(=O)c1cc(-c2ccc(OC(F)(F)F)cc2OCCN2CCN(C)CC2)ccc1F,ICHXMGYFPQZTSY-UHFFFAOYSA-N
-rxn:4:199596:223279,CN1CCN(CCOc2cc(OC(F)(F)F)ccc2-c2cnc(C3CCCN3)nc2)CC1,RQCSVERQQWHSJB-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:4:199648:223179,CONC(=O)c1cc(-c2cncc(OCC3CCCN3C(=O)OC(C)(C)C)c2)ccc1F,JGCPVZSHDDIOTG-UHFFFAOYSA-N
-rxn:4:199648:223659,CC(C)(C)OC(=O)N1CCC(Cn2cc(-c3cncc(OCC4CCCN4C(=O)OC(C)(C)C)c3)cn2)CC1,GGKVXAGBXMAXBF-UHFFFAOYSA-N
-rxn:4:199650:223179,CONC(=O)c1cc(-c2cnc(OCC3CN(C(=O)OC(C)(C)C)C3)c(C)c2)ccc1F,IRMOGCNVOJQVJC-UHFFFAOYSA-N
-rxn:4:199651:223279,CCN1CCN(Cc2cccc(-c3cnc(C4CCCN4)nc3)c2OCC(F)(F)F)CC1,AQEMRUSRIDDNAQ-UHFFFAOYSA-N
-rxn:4:199655:223279,O=C(CCc1ccccc1-c1cnc(C2CCCN2)nc1)N1CC(CN2C(=O)CCC2=O)C1,PLJITAJTXUPIPJ-UHFFFAOYSA-N
-rxn:4:199691:224244,CCCOc1cc(S(=O)(=O)N2CCN(C(C)=O)CC2)ccc1-c1ccc(Cl)c(C(=O)N2CCC(C)CC2)c1,AMEUNYBNXAKCTG-UHFFFAOYSA-N
-rxn:4:199692:223648,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)cc3)cc2C#N)CC1,DNTFSQZLACZFNM-UHFFFAOYSA-N
-rxn:4:199708:223179,CONC(=O)c1cc(-c2cccc(OCC3CCCN(C(=O)OC(C)(C)C)C3)n2)ccc1F,JUHQTPOHRKTIGF-UHFFFAOYSA-N
-rxn:4:199709:223279,CC(C)(C)OC(=O)N1CCC(COc2cccc(-c3cnc(C4CCCN4)nc3)n2)CC1,AOLBHFJZVGMYLF-UHFFFAOYSA-N
-rxn:4:199714:223106,CC(C)(C)OC(=O)N1CCC(COc2ccc(-c3cnc(N4CCC(O)C4)nc3Cl)cn2)CC1,NGEQGOWOKMMWLU-UHFFFAOYSA-N
-rxn:4:199714:223279,CC(C)(C)OC(=O)N1CCC(COc2ccc(-c3cnc(C4CCCN4)nc3)cn2)CC1,IQQUYUCTCBQREW-UHFFFAOYSA-N
-rxn:4:199715:223279,CC(C)(C)OC(=O)N1CCCC(COc2ccc(-c3cnc(C4CCCN4)nc3)cn2)C1,AFHKWWAWJSRREQ-UHFFFAOYSA-N
-rxn:4:199716:223179,CONC(=O)c1cc(-c2cccnc2OCC2CCN(C(=O)OC(C)(C)C)CC2)ccc1F,GTZOUWXNXAXUFU-UHFFFAOYSA-N
-rxn:4:199724:223179,CONC(=O)c1cc(-c2cc(F)c([N+](=O)[O-])c(OC3CCN(C(=O)OC(C)(C)C)CC3)c2)ccc1F,IVQIWUFWUMFAKR-UHFFFAOYSA-N
-rxn:4:199724:223279,CC(C)(C)OC(=O)N1CCC(Oc2cc(-c3cnc(C4CCCN4)nc3)cc(F)c2[N+](=O)[O-])CC1,AWTBPFAVGNGROY-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:4:199726:223279,CC(C)(C)OC(=O)N1CCC(C(=O)c2cc(-c3cnc(C4CCCN4)nc3)cc(C#N)c2F)CC1,ZGSOUJNMXWRRRV-UHFFFAOYSA-N
-rxn:4:199738:223179,CONC(=O)c1cc(-c2cccnc2OC2CCN(C(=O)CSC3CCCC3)CC2)ccc1F,GQWQWQRSSWEABE-UHFFFAOYSA-N
-rxn:4:199741:222787,CC(C)(C)OC(=O)Nc1ccc(-c2cccc(CC(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)c(Cl)c1,NZMKHWQGVPGLTI-UHFFFAOYSA-N
-rxn:4:199759:223179,CONC(=O)c1cc(-c2cccc(N3CCN(C(=O)OCC[Si](C)(C)C)CC3)c2)ccc1F,MLEWLUATSIMAEC-UHFFFAOYSA-N
-rxn:4:199763:226844,CC(C)(C)OC(=O)N1CCN(CCc2ccc(F)c(-c3ccnc(C(=O)C(F)(F)F)c3)c2)CC1,CDGYVRUJVLCZSQ-UHFFFAOYSA-N
-rxn:4:199767:223179,CONC(=O)c1cc(-c2ccc(N3CCC(C(=O)OC)CC3)nc2C(=O)OC(C)(C)C)ccc1F,VAGNFHMATXXHQW-UHFFFAOYSA-N
-rxn:4:199769:223648,COc1cc(Cl)c(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2)cc1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1,FSXACFCPHBLTDT-UHFFFAOYSA-N
-rxn:4:199772:223179,CONC(=O)c1cc(-c2cc(CCC(=O)N3CCC(N4C(=O)CSC4=O)CC3)ccc2OC)ccc1F,RZHOBZZRMSMJAA-UHFFFAOYSA-N
-rxn:4:199783:223279,CN(Cc1ccc(-c2cnc(C3CCCN3)nc2)cc1N1CCOCC1)C(=O)OC(C)(C)C,HBBPLVATGXENDB-UHFFFAOYSA-N
-rxn:4:199785:223179,CONC(=O)c1cc(-c2cnc(OCC3CCN(C(=O)OC(C)(C)C)CC3)cc2C)ccc1F,ZQUACDVVBGEZMN-UHFFFAOYSA-N
-rxn:4:199791:225287,COc1ccc(-c2cc(Cl)ncc2C(=O)OC(C)(C)C)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,PIIIYAZHCUUELP-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:4:199825:223179,CONC(=O)c1cc(-c2ccc(CN(C)C(=O)OC(C)(C)C)c(N3CCCCC3)c2)ccc1F,VOIUCTYSZFMVGC-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:4:199842:223279,CC1CN(C(=O)OC(C)(C)C)CCN1Cc1cc(C(F)(F)F)ccc1-c1cnc(C2CCCN2)nc1,ZMRLLZKPXFXFKQ-UHFFFAOYSA-N
-rxn:4:199846:224198,CCOc1ccc(-c2ccc(CN3CCN(CC)CC3)cc2F)cc1S(=O)(=O)N1CCN(c2ccccc2OC)CC1,YVJJJLKHJUYIDJ-UHFFFAOYSA-N
-rxn:4:199853:223179,CONC(=O)c1cc(-c2cnc(Cl)c(CN3CCC(CO[Si](C)(C)C(C)(C)C)C3)c2)ccc1F,JXJXZMRIAOHDMX-UHFFFAOYSA-N
-rxn:4:199854:226236,CCCCOc1ncc(C)cc1-c1ccccc1CCC(=O)N1CCC(N2CCC(OC)C2)CC1,BOCWYZXDLVVQAV-UHFFFAOYSA-N
-rxn:4:199855:223179,CONC(=O)c1cc(-c2cc(OC)c(S(=O)(=O)N3CCN(c4ccccc4OC)CC3)cc2OC)ccc1F,VXUGJHXSXPLOOF-UHFFFAOYSA-N
-rxn:4:199894:224842,CC(C)(C)OC(=O)n1cc(C(=O)CC#N)c2cccc(-c3ccc4c(c3)C(C)(C)CCC4(C)C)c21,UENPOTFXEHAIGW-UHFFFAOYSA-N
-rxn:4:199964:223179,CCCN1C(=O)C(=C2SC(=S)N(CCCOC)C2=O)c2cc(-c3ccc(F)c(C(=O)NOC)c3)ccc21,QLLGNZIAZREZCI-UHFFFAOYSA-N
-rxn:4:199964:223279,CCCN1C(=O)C(=C2SC(=S)N(CCCOC)C2=O)c2cc(-c3cnc(C4CCCN4)nc3)ccc21,URMLUCFAIXDPFN-UHFFFAOYSA-N
-rxn:4:199966:223279,CCCCN1C(=O)C(=C2SC(=S)N(CCOC)C2=O)c2cc(-c3cnc(C4CCCN4)nc3)ccc21,DVJWFAFDIBZUBK-UHFFFAOYSA-N
-rxn:4:199980:223179,CCOC(=O)Cn1c(=NC(=O)C2CCCCC2)sc2cc(-c3ccc(F)c(C(=O)NOC)c3)ccc21,GFYNBYOWKQLBCU-UHFFFAOYSA-N
-rxn:4:199983:223179,CCCCN1C(=O)C(=C2C(=O)N(CCCC)c3ccc(-c4ccc(F)c(C(=O)NOC)c4)cc32)SC1=S,ORFFSJNPSVSAJA-UHFFFAOYSA-N
-rxn:4:199988:223179,CCOCCn1c(=NC(=O)C2CCCCC2)sc2cc(-c3ccc(F)c(C(=O)NOC)c3)ccc21,ROPXUCBCNFPVMM-UHFFFAOYSA-N
-rxn:4:199989:223179,CCOC(=O)c1c(CN2CCOCC2)n(C)c2cc(-c3ccc(F)c(C(=O)NOC)c3)c(OC)cc12,OOQSFWIHIYGHLY-UHFFFAOYSA-N
-rxn:4:199992:223179,CCOc1cc(N2C(=NC(C)=O)SC3CS(=O)(=O)CC32)cc(-c2ccc(F)c(C(=O)NOC)c2)c1OCC,QVLDWFCKOBNRPB-UHFFFAOYSA-N
-rxn:4:199992:223279,CCOc1cc(N2C(=NC(C)=O)SC3CS(=O)(=O)CC32)cc(-c2cnc(C3CCCN3)nc2)c1OCC,ZYQGAPQCALHZSE-UHFFFAOYSA-N
-rxn:4:199992:226844,CCOc1cc(N2C(=NC(C)=O)SC3CS(=O)(=O)CC32)cc(-c2ccnc(C(=O)C(F)(F)F)c2)c1OCC,UUSSLRMKGJEHSC-UHFFFAOYSA-N
-rxn:4:199999:222918,CC(C)(C)NS(=O)(=O)c1cccc(-c2ccc3c(=NC(=O)OC(C)(C)C)n(C(=O)OC(C)(C)C)ccc3c2)c1,MHNFZERKFMRLPR-UHFFFAOYSA-N
-rxn:4:199999:223179,CONC(=O)c1cc(-c2ccc3c(=NC(=O)OC(C)(C)C)n(C(=O)OC(C)(C)C)ccc3c2)ccc1F,OKNQLVZMJZOVQF-UHFFFAOYSA-N
-rxn:4:199999:227789,CC(C)(C)OC(=O)N=c1c2ccc(-c3cc(Cl)nc(C(F)(F)F)c3)cc2ccn1C(=O)OC(C)(C)C,RCRAVHKQLGNKPL-UHFFFAOYSA-N
-rxn:4:200000:226844,CCCCCC(=O)N=C1SC2CS(=O)(=O)CC2N1c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)c(C)c1,QSQYHBJPMQCSIG-UHFFFAOYSA-N
-rxn:4:200021:223179,CCCCCN1C(=O)C(=C2SC(=S)N(CC3CCCO3)C2=O)c2cc(-c3ccc(F)c(C(=O)NOC)c3)ccc21,MMRQCOKSXPUDBH-UHFFFAOYSA-N
-rxn:4:200033:223279,CC(C)(C)[Si](C)(C)OCC1CCN(Cc2cc3ncc(-c4cnc(C5CCCN5)nc4)cc3o2)C1,KWYQWIXFRMZAEF-UHFFFAOYSA-N
-rxn:4:200277:223572,CC1CCN(S(=O)(=O)c2ccc(-c3cc([N+](=O)[O-])ccc3OCCN3CCCC3)c3ccccc23)CC1,CDODYSBVORKHMG-UHFFFAOYSA-N
-rxn:4:200280:222803,CCC(=O)N1CCN=C1SCc1ccc(-c2ccc(C3CCNC3)c(C(F)(F)F)c2)cc1,DYFHNDYRSONXLK-UHFFFAOYSA-N
-rxn:4:200298:222725,CCNS(=O)(=O)c1ccc(-c2ccc(OC(=O)N(C(C)C)C(C)C)cn2)c(C(F)(F)F)c1,GKSBKAAQFWCYOU-UHFFFAOYSA-N
-rxn:4:200355:225335,CCOc1cc(OC(F)(F)F)ccc1-c1cc(C(=O)OC)n(CCC2CCCCC2)n1,ZLXQYFDIVSMJOH-UHFFFAOYSA-N
-rxn:4:200384:223279,O=C(CCc1ccccc1-c1cnc(C2CCCN2)nc1)N1CC(N2C(=O)COC2=O)C1,MXKRWOGKNLAYDX-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:4:200424:224884,COC(=O)CCN1CCN(c2ccc(-c3cccc(CN4CCC(C)CC4)c3)cc2)CC1,AZKAXPVOIABKLI-UHFFFAOYSA-N
-rxn:4:200440:223279,CCN1CCN(C(=O)c2cc(OC(F)(F)F)cc(-c3cnc(C4CCCN4)nc3)c2)CC1,JYCJZASHMQYRFJ-UHFFFAOYSA-N
-rxn:4:200441:225191,CCOC(=O)c1nc(N2CCC(C(F)(F)F)CC2)ccc1-c1cnc(OC2CCCCC2)cc1F,IHGAOAOLRYNPQL-UHFFFAOYSA-N
-rxn:4:200472:225769,CC1CCN(CCOc2ccc([N+](=O)[O-])cc2-c2cc(OCC3CC3)c(F)cc2F)CC1,SUAJKVLHWIOGBS-UHFFFAOYSA-N
-rxn:4:200519:226611,CCc1ccc(C(F)(F)F)cc1-c1ccc(C(=O)N2CCC[C@H]2C(=O)OC(C)(C)C)nc1,XDXGSMCASPCRCS-FQEVSTJZSA-N
-rxn:4:200556:226019,COCCN1CCCN(C(=O)c2ccc(-c3ccc(F)cc3OCC(F)(F)F)cc2)CC1,BSGSXUHHZGORSX-UHFFFAOYSA-N
-rxn:4:200567:223179,CCOC(=O)N1CCN(S(=O)(=O)c2ccc(-c3ccc(F)c(C(=O)NOC)c3)c(C)c2)CC1,IXUFNZVSEABIQK-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:4:200575:223179,CONC(=O)c1cc(-c2ccc(C3CCN(C(=O)OC(C)(C)C)C3)nc2C(F)(F)F)ccc1F,GIUGEXKDNNAZQF-UHFFFAOYSA-N
-rxn:4:200589:225128,COC(=O)C1(c2ccc(F)c(-c3cccnc3OC3CCN(S(=O)(=O)c4ccc(OC)c(F)c4)C3)c2)CC1,YFYZNEAJIYGAJX-UHFFFAOYSA-N
-rxn:4:200597:223179,CONC(=O)c1cc(-c2cccc(OC3CCCN(C(=O)OC(C)(C)C)C3)n2)ccc1F,NMPKJBNFWBIISP-UHFFFAOYSA-N
-rxn:4:200608:223748,COc1ncc(-c2cc(N3CCCCC3)cc(N3CCCCC3)c2)cc1C1CCN(C(=O)OC(C)(C)C)C1,MHIGWQCAHNSFBB-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:4:200610:223179,CONC(=O)c1cc(-c2cnc(OC3CCN(C(=O)OC(C)(C)C)CC3)c(F)c2)ccc1F,RJTVYIXFPQYGAD-UHFFFAOYSA-N
-rxn:4:200611:223279,CC(C)(C)OC(=O)N1CCCC(Oc2ncc(-c3cnc(C4CCCN4)nc3)cc2F)C1,DIGFSGKBUBIGND-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:4:200615:223279,COc1cc(S(=O)(=O)N2CCN(C(C)=O)CC2)c(OC)cc1-c1cnc(C2CCCN2)nc1,AQZCEKCILNCSEO-UHFFFAOYSA-N
-rxn:4:200627:223179,CONC(=O)c1cc(-c2ccc(C3CN(C(=O)OC(C)(C)C)CCO3)nc2C(F)(F)F)ccc1F,BVCBMVAZWFTXOQ-UHFFFAOYSA-N
-rxn:4:200646:225156,CC(C)CS(=O)(=O)C1CCN(C(=O)c2cncc(-c3cc(C(=O)N4CCCC4)ccc3F)c2)CC1,JJCCDYFOHNHQIA-UHFFFAOYSA-N
-rxn:4:200646:226045,CC(C)CS(=O)(=O)C1CCN(C(=O)c2cncc(-c3ccc(C(F)(F)C(F)(F)F)nc3)c2)CC1,OTBNDKWIKWFTBB-UHFFFAOYSA-N
-rxn:4:200654:222790,CC(C)(C)OC(=O)Nc1cc(Cl)cc(-c2cc(C#N)cc(C3CCCN(C(=O)OC(C)(C)C)C3)c2)c1,LGECXQXPLREMLF-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:4:200662:223279,O=C(CCc1ccccc1-c1cnc(C2CCCN2)nc1)N1CCC(N2C(=O)CSC2=O)CC1,LFLFWPWHLVPBGP-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:4:200715:223279,CC(C)(C)OC(=O)N1CCCC(c2cc(-c3cnc(C4CCCN4)nc3)cc(C(F)F)n2)C1,ZUWDWUVCTQEJAQ-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:4:200733:224078,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cccc4c3ccn4[Si](C)(C)C(C)(C)C)cc2C(F)(F)F)CC1,WUUDDEACZKYSGX-UHFFFAOYSA-N
-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:4:200735:223179,CONC(=O)c1cc(-c2ccc(N3CCC(C(F)(F)F)CC3)nc2C(=O)OC(C)(C)C)ccc1F,NYZQUKIUEWWNCR-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:4:200737:223179,CONC(=O)c1cc(-c2ccc(C3CCCN(C(=O)OC(C)(C)C)C3)nc2C(F)(F)F)ccc1F,GUMSAXMEQLVKKP-UHFFFAOYSA-N
-rxn:4:200737:223279,CC(C)(C)OC(=O)N1CCCC(c2ccc(-c3cnc(C4CCCN4)nc3)c(C(F)(F)F)n2)C1,AMLYGKNAWBXYNC-UHFFFAOYSA-N
-rxn:4:200755:223279,COc1cc(-c2cnc(C3CCCN3)nc2)cc(C2CCCN(C(=O)OC(C)(C)C)C2)n1,ABSYXLQCSHYBGW-UHFFFAOYSA-N
-rxn:4:200759:223179,CONC(=O)c1cc(-c2ccc(N3CCC(OC)CC3)nc2C(=O)OC(C)(C)C)ccc1F,WBKZEEHZVRWRQI-UHFFFAOYSA-N
-rxn:4:200763:223279,COc1ncc(-c2cnc(C3CCCN3)nc2)cc1C1CCN(C(=O)OC(C)(C)C)CC1,FCXIRDPQVQINEI-UHFFFAOYSA-N
-rxn:4:200772:222948,Cc1cnccc1OCC1CCN(C(=O)c2ccc(-c3cnc(N4CCC(O)CC4)nc3Cl)cc2F)CC1,SAJNYWWWJWNSQC-UHFFFAOYSA-N
-rxn:4:200780:223279,COc1ccc(-c2cnc(C3CCCN3)nc2)c(C(=O)N2CC(N3CCC(OC)CC3)C2)c1,IHQMEHSPEDVBKT-UHFFFAOYSA-N
-rxn:4:200782:225901,Cc1nn(C(=O)OC(C)(C)C)cc1-c1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)cc1,VHYNPIDODWRXSV-KRWDZBQOSA-N
-rxn:4:200783:223179,CONC(=O)c1cc(-c2ccc(C3(C#N)CCN(C(=O)OC(C)(C)C)CC3)c(C)c2)ccc1F,RUDUKJGFIUJORP-UHFFFAOYSA-N
-rxn:4:200801:222719,Cc1cnccc1OCC1CCN(S(=O)(=O)c2ccccc2-c2cc(C3CCCNC3)nc(C(F)(F)F)c2)CC1,MWLCOQMMSUHHJP-UHFFFAOYSA-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:4:200817:226844,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:4:200819:223179,CONC(=O)c1cc(-c2cc(F)cc(CN3CCN(C(=O)OC(C)(C)C)C(C)C3)c2)ccc1F,AFHXDJJPMOGYFO-UHFFFAOYSA-N
-rxn:4:200819:223279,CC1CN(Cc2cc(F)cc(-c3cnc(C4CCCN4)nc3)c2)CCN1C(=O)OC(C)(C)C,SZXRRNVPDPVOLR-UHFFFAOYSA-N
-rxn:4:200820:225278,COC(=O)c1ccc(C(=O)OC)c(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)[C@H](C)C3)cc2F)c1,XMRAWBYFKBZHES-QGZVFWFLSA-N
-rxn:4:200822:222854,COc1ccc(C2CCCNC2)cc1-c1cccc(S(=O)(=O)N2CCCN(C(=O)OC(C)(C)C)CC2)c1,BTMCEKOPLGYYEE-UHFFFAOYSA-N
-rxn:4:200822:224406,CC(C)(C)OC(=O)N1CCCN(S(=O)(=O)c2cccc(-c3ccc(F)c(S(=O)(=O)N4CCOCC4)c3)c2)CC1,SJIILMVEYUFAKY-UHFFFAOYSA-N
-rxn:4:200822:225926,CC(C)(C)OC(=O)N1CCCN(S(=O)(=O)c2cccc(-c3ccc(S(=O)(=O)N4CCC4)cc3)c2)CC1,HAHGRKVGYSTOGE-UHFFFAOYSA-N
-rxn:4:200824:223646,Cc1ccc(-c2ccc(OC3CCN(C(=O)OC(C)(C)C)C3)cc2)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,SPXUZYRDLYYOAY-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:4:200828:222828,CC1CN(C(=O)OC(C)(C)C)CCN1S(=O)(=O)c1cc(-c2cc(F)c(F)cc2S(=O)(=O)NC2CC2)c(F)cc1F,BWDRRWSPYXPSPF-UHFFFAOYSA-N
-rxn:4:200836:223179,CONC(=O)c1cc(-c2cccc(OC(C)C)c2CN2CCN(C(C)C)CC2)ccc1F,IYBZVXQQQGHRDD-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:4:200840:226844,COC(=O)C1CCCN(Cc2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2N2CCCC2)C1,NARDLQWTWISPAB-UHFFFAOYSA-N
-rxn:4:200842:223279,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cnc(C4CCCN4)nc3)ccc2C2CC2)CC1,CRQHEFPYOTWPQV-UHFFFAOYSA-N
-rxn:4:200843:223179,CONC(=O)c1cc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2C2CC2)ccc1F,KXHCMVYTRZMBSE-UHFFFAOYSA-N
-rxn:4:200845:225210,Cc1nc(N2CCC(C)CC2)ncc1-c1cc(C2CC2)cc(N2CCN(C(=O)OC(C)(C)C)CC2)c1,DFWHPHMTTZGOJE-UHFFFAOYSA-N
-rxn:4:200853:226844,COC(=O)C1CCN(Cc2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2N2CCOCC2)CC1,PZNWIHWKCROGOR-UHFFFAOYSA-N
-rxn:4:200854:226844,COC(=O)C1CCCN(Cc2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2N2CCOCC2)C1,YHTXDKMVEBBEIB-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:4:200859:222986,CCc1ccc(N2CCN(S(=O)(=O)c3cc(-c4cc(C)nc(C5CCCNC5)c4)ccc3OC)CC2)cc1,QMJZEWQEGOOPLJ-UHFFFAOYSA-N
-rxn:4:200859:223696,CCc1ccc(N2CCN(S(=O)(=O)c3cc(-c4ccc(S(=O)(=O)N5CCC6(CC5)OCCO6)cc4)ccc3OC)CC2)cc1,MMZTWDQTSAMWQR-UHFFFAOYSA-N
-rxn:4:200860:222996,CCOc1cc(S(=O)(=O)N2CCN(c3ccc(C)cc3)CC2)ccc1-c1ccc(F)cc1C1CCCNC1,HEFMJXMQRZECQJ-UHFFFAOYSA-N
-rxn:4:200871:224653,Cc1cc(-c2ccc(Cl)cc2OCC2CCCCO2)cc(C)c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,AXQDIBLBNNYQBX-UHFFFAOYSA-N
-rxn:4:200871:225982,Cc1cc(-c2cnc(N3CCOCC3)cc2F)cc(C)c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,KYWCJRGKXZOCMJ-UHFFFAOYSA-N
-rxn:4:200874:223179,CONC(=O)c1cc(-c2cnccc2OC2CCN(C(=O)C3(c4ccccc4)CCOCC3)C2)ccc1F,PZWTVUIGUDTMIG-UHFFFAOYSA-N
-rxn:4:201032:223279,CCN1C(=O)C(=C2SC(=S)N(CCCOC)C2=O)c2cc(-c3cnc(C4CCCN4)nc3)ccc21,ZAYMZMAWFBSSPR-UHFFFAOYSA-N
-rxn:4:201089:222833,CC(C)CCC(=O)Nc1cccc(-c2ccc3sc(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)cc3c2)c1,KANYLVJVTVQLBN-UHFFFAOYSA-N
-rxn:4:201096:223179,CONC(=O)c1cc(-c2cccc3c2CCN3C(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)ccc1F,YVPIMEFCQZVTTE-QFIPXVFZSA-N
-rxn:4:201097:223574,CC(C)(C)OC(=O)N1CCN(Cc2cccc(-c3ccc4c(c3)CN(C(=O)C3CCN(C(=O)OC(C)(C)C)C3)C4)c2)CC1,BHVOSQDYWZNNOC-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:4:201099:223184,CC1=C(C(=O)OCC(C)C)C(c2cccc(-c3cnc(N4CCNCC4)nc3)c2)N2C(=O)C(C)SC2=N1,UYWCLRDDXGKPLD-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:4:201101:223179,CONC(=O)c1cc(-c2ccc(C3C(C(=O)OCC(C)C)=C(C)N=C4SC(C)C(=O)N43)cc2)ccc1F,NYIFNHVWMYDUDF-UHFFFAOYSA-N
-rxn:4:201101:225984,CC1=C(C(=O)OCC(C)C)C(c2ccc(-c3cnc(Cl)c(N4CCOCC4)c3)cc2)N2C(=O)C(C)SC2=N1,CRTXSQGYRLQFBS-UHFFFAOYSA-N
-rxn:4:201102:223179,CONC(=O)c1cc(-c2ccccc2C2C(C(=O)OCC(C)C)=C(C)N=C3SCCC(=O)N32)ccc1F,KYMLKIDTQGQAEI-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:4:201124:223179,CONC(=O)c1cc(-c2ccc3c(ccn3CC3CCN(C(=O)OC(C)(C)C)CC3)c2)ccc1F,LBMIHVITWMZXBD-UHFFFAOYSA-N
-rxn:4:201126:223179,CONC(=O)c1cc(-c2ccccc2CCC(=O)N2C3CCC2CC(N2C(=O)CCC2=O)C3)ccc1F,DKYBNDLKLHHUFI-UHFFFAOYSA-N
-rxn:4:201143:223179,CONC(=O)c1cc(-c2ccccc2CCC(=O)N2CCC(N3CCc4sccc4C3)CC2)ccc1F,HJDMJQBFPOWKFD-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:4:201157:224718,CCn1c(SCC(=O)c2ccc(-c3ccc(OCCN4CCOCC4)nc3)cc2)nc2sc3c(c2c1=O)CCCC3,UAZAKSDGVFSVPN-UHFFFAOYSA-N
-rxn:4:201225:223579,COC(=O)c1c(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3C)cc2)cnn1CC(F)F,TZTMIDZYGXJASQ-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:4:201378:227803,CC(=O)n1nc(C(F)(F)C(F)(F)C(F)(F)F)c(-c2ccnn2S(=O)(=O)N(C)C)c1C,DHOAZHOONAKANS-UHFFFAOYSA-N
-rxn:4:201556:223896,COC(=O)C(C)Cn1nc(C)c(-c2cccc(OC)c2C(=O)N(C(C)C)C(C)C)c1C,LHTRFBKCCJZHIK-UHFFFAOYSA-N
-rxn:4:201595:223896,COc1cccc(-c2ccc(N(C)C(=O)OC(C)(C)C)nc2)c1C(=O)N(C(C)C)C(C)C,LKMLNWNMKJSXAN-UHFFFAOYSA-N
-rxn:4:201596:224017,CN(C(=O)OC(C)(C)C)c1ccncc1-c1ccc(N2CCCS2(=O)=O)cc1C(F)(F)F,SEDHBEAMFUWTBU-UHFFFAOYSA-N
-rxn:4:201604:224082,CCC(C(=O)OC(C)(C)C)c1cccc(-c2nc(Cl)ccc2N(C)C(=O)OC(C)(C)C)c1,LHROOPXGOIMSHJ-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:4:201760:223179,CONC(=O)c1cc(-c2ccc(CC(=O)N3CC(N4C(=O)CSC4=O)C3)cc2)ccc1F,YROXUCDZPJOVTR-UHFFFAOYSA-N
-rxn:4:201786:222546,CCOC(=O)C1CCN(c2ncccc2-c2ccc(OCCNC3CCCCC3)c(F)c2)CC1,BMLOXIIABWEQJV-UHFFFAOYSA-N
-rxn:4:201803:224078,CN1CCN(C(=O)c2ccc(-c3cccc4c3ccn4[Si](C)(C)C(C)(C)C)c(OC(F)F)c2)CC1,MRGBNMYRYKJGAL-UHFFFAOYSA-N
-rxn:4:201814:226045,CCOC(=O)c1nc(N2CCC(F)(F)CC2)ccc1-c1ccc(C(F)(F)C(F)(F)F)nc1,WQESUPQEZIGBEE-UHFFFAOYSA-N
-rxn:4:201888:223570,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc(F)c(C4(C)CN4S(=O)(=O)c4ccccc4[N+](=O)[O-])c3)c(F)ncc21,BXAUDFBZEWFARK-UHFFFAOYSA-N
-rxn:4:201906:223179,CONC(=O)c1cc(-c2ccc(OC)cc2C(=O)N2CC(N3C(=O)CCC3=O)C2)ccc1F,VCADKVGWVOYFFK-UHFFFAOYSA-N
-rxn:4:201906:223279,COc1ccc(-c2cnc(C3CCCN3)nc2)c(C(=O)N2CC(N3C(=O)CCC3=O)C2)c1,HUGJNHVJRRSUIH-UHFFFAOYSA-N
-rxn:4:201908:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(S(=O)(=O)N2CC(CN3C(=O)CCC3=O)C2)cc1,GNUMLQOXDHLBMQ-UHFFFAOYSA-N
-rxn:4:201925:223638,CC(C)(C)OC(=O)N1CCCC(c2cccc(-c3cccc(C4CCCN4C(=O)OC(C)(C)C)n3)c2)C1,CYXNYJKUBGFFBL-UHFFFAOYSA-N
-rxn:4:201940:224100,CCN1CCN(C(=O)c2ccc(-c3ccccc3OCCN3CCC(C)CC3)cc2OC)CC1,HBOVXBNZWLKTRY-UHFFFAOYSA-N
-rxn:4:201943:222846,CCOC(=O)c1cc(-c2cc(C3CCCNC3)ccc2C#N)ccc1N1CCN(C)CC1,XBOWMVYJOGPHLU-UHFFFAOYSA-N
-rxn:4:201943:223997,CCOC(=O)c1cc(-c2cc(C)c(S(=O)(=O)N3CCOCC3)c(C)c2)ccc1N1CCN(C)CC1,UDGWMZKFGXSDMW-UHFFFAOYSA-N
-rxn:4:201946:223480,Cc1cc(-c2ccc(C3CCCN3C(=O)OC(C)(C)C)nc2)cc(C)c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,OLLHCIDVSAMEQZ-UHFFFAOYSA-N
-rxn:4:201950:222426,CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)Nc1ccc(-c3ccc(C4CCN(C(=O)OC(C)(C)C)C4)nc3)cc12,NRUGLLQWMVXYKJ-UHFFFAOYSA-N
-rxn:4:201954:222634,COC(=O)c1ccc(-c2ccc(OCCNC3CCCC3)c(F)c2)c(CN2CCN(C)CC2)c1,QWVSMFCTULECSC-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:4:201969:223279,COc1ccc(-c2cnc(C3CCCN3)nc2)c(C(=O)N2CCC(N3C(=O)CSC3=O)C2)c1,IXMZFOHZJDXMMT-UHFFFAOYSA-N
-rxn:4:201975:224168,CCN(C(=O)OC(C)(C)C)c1cccc(-c2ccc(S(=O)(=O)N3CCN(C(=O)c4ccco4)CC3)cc2)c1,DAUJCIYKYXAQDC-UHFFFAOYSA-N
-rxn:4:202011:223591,CC(C)(C)OC(=O)N1CCN(c2ccc(F)c(-c3ccc(C4CN(C(=O)OC(C)(C)C)CCO4)nc3)c2)CC1,MTVGVRXIRWFHBW-UHFFFAOYSA-N
-rxn:4:202022:225975,CC(C)(C)OC(=O)N1CCOCC1c1ccc(-c2ccnc(N3CCOCC3)c2Cl)cn1,WZTSVFPGDCXKAS-UHFFFAOYSA-N
-rxn:4:202022:225977,CC(C)(C)OC(=O)N1CCOCC1c1ccc(-c2cc(Cl)cnc2N2CCOCC2)cn1,UNMRIWVSZXSINB-UHFFFAOYSA-N
-rxn:4:202022:225984,CC(C)(C)OC(=O)N1CCOCC1c1ccc(-c2cnc(Cl)c(N3CCOCC3)c2)cn1,FUBLTTYNLIDEBQ-UHFFFAOYSA-N
-rxn:4:202069:224243,CC1CCCCN1C(=O)c1cc(F)cc(-c2cncc(C(=O)N3CCC(S(=O)(=O)C(C)(C)C)C3)c2)c1,GVNHVSFUPFEDJY-UHFFFAOYSA-N
-rxn:4:202072:224624,CC(C)(C)COC(=O)c1ccc(Cl)cc1-c1cccc(N2CCN(C(=O)OC(C)(C)C)CC2=O)c1,DGXHWLGKWKIDKW-UHFFFAOYSA-N
-rxn:4:202072:226421,CC(C)(C)OC(=O)N1CCN(c2cccc(-c3ccc(Cl)cc3N3CCCC3)c2)C(=O)C1,CMYCOFJSIYAHQV-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:4:202077:224485,CC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2cccnc2OC2CCN(S(=O)(=O)c3ccccc3)CC2)c1,ZQVNZVZMQQXHCT-UHFFFAOYSA-N
-rxn:4:202085:222631,Cc1cc(F)ccc1S(=O)(=O)N1CCC(Oc2ncccc2-c2cc(C3CCNCC3)nc(C(C)(C)C)c2)C1,LLRKFFKSQXFDPI-UHFFFAOYSA-N
-rxn:4:202085:224010,COc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1cccnc1OC1CCN(S(=O)(=O)c2ccc(F)cc2C)C1,YRIWDBUBQXSONY-UHFFFAOYSA-N
-rxn:4:202105:225801,CC(C)(C)OC(=O)N1CCCC(c2ccc(-c3ccnc(OC4CCCC4)c3Cl)nc2)C1,FKYRSGNASHRCMY-UHFFFAOYSA-N
-rxn:4:202112:222638,CC(C)CN1CCN(S(=O)(=O)c2ccc(-c3cccc(C(C)NC(=O)OC(C)(C)C)c3)cc2)CC1,RIFXDIFUXZQZTP-UHFFFAOYSA-N
-rxn:4:202120:223534,CC(C)(C)OC(=O)N1CCC(Oc2cc(-c3cncc(C4CCCN(C(=O)OC(C)(C)C)C4)c3)c(F)cn2)CC1,MEWUJPNDOAJFKT-UHFFFAOYSA-N
-rxn:4:202129:223179,CONC(=O)c1cc(-c2ccc(C3CCN(C(=O)OC(C)(C)C)CC3)nc2F)ccc1F,BGQZOFQJRPVSNW-UHFFFAOYSA-N
-rxn:4:202134:223059,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc(N4CCNCC4)cc3Cl)c(Cl)c2)CC1,LESSMOUCBKYIFN-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:4:202136:223104,CC(C)(C)OC(=O)C1CCN(c2c(F)cncc2-c2ccc(NC(=O)C(F)(F)F)cc2)CC1,XVZRWLGCEJSFCW-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:4:202143:223179,CONC(=O)c1cc(-c2cc(S(=O)(=O)N3CCN(C(C)=O)CC3)c(OC)cc2C)ccc1F,SYVQJCBLDGWSSB-UHFFFAOYSA-N
-rxn:4:202144:224415,O=C(c1ccc(-c2ccnc(C(F)(F)C(F)(F)C(F)(F)F)c2)o1)N1CCCN(Cc2ccccc2)CC1,VZFGMHANIDKZNE-UHFFFAOYSA-N
-rxn:4:202146:223279,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(C4CCCN4)nc3)c(F)c2F)CC1,WIBNAPNUSGJSAW-UHFFFAOYSA-N
-rxn:4:202147:223179,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:4:202158:224672,CCN1CCN(c2ccc(-c3cncc(C(=O)N4CCC(Oc5cc(C)oc(=O)c5)CC4)c3)c(Cl)c2)CC1,WUADGIRIXSZICB-UHFFFAOYSA-N
-rxn:4:202196:223179,CONC(=O)c1cc(-c2cnccc2OC2CCN(CC3CCS(=O)(=O)CC3)C2)ccc1F,DAYGKAJJMVLZRF-UHFFFAOYSA-N
-rxn:4:202196:223279,O=S1(=O)CCC(CN2CCC(Oc3ccncc3-c3cnc(C4CCCN4)nc3)C2)CC1,ZCCNUYIUPABPEX-UHFFFAOYSA-N
-rxn:4:202196:226844,O=C(c1cc(-c2cnccc2OC2CCN(CC3CCS(=O)(=O)CC3)C2)ccn1)C(F)(F)F,TVMPTTBKYJXYFF-UHFFFAOYSA-N
-rxn:4:202199:226844,O=C(C1CN(Cc2ccccc2-c2ccnc(C(=O)C(F)(F)F)c2)CCO1)N1CCSCC1,VFGYQNOKNIQBLL-UHFFFAOYSA-N
-rxn:4:202202:223279,O=C(C1CN(Cc2ccccc2-c2cnc(C3CCCN3)nc2)CCO1)N1CCOCC1,DUOSZPPPIQJXQC-UHFFFAOYSA-N
-rxn:4:202204:223179,CONC(=O)c1cc(-c2cccc(N3CC(C(=O)N4CCC(CF)CC4)CC3=O)c2)ccc1F,OTKWOLKGWKLVFK-UHFFFAOYSA-N
-rxn:4:202230:223595,Cc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)c(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c(F)c2)c1,VTYBWHXSNQPJRS-UHFFFAOYSA-N
-rxn:4:202230:224270,Cc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)c(-c2cn(C(=O)OC(C)(C)C)c3ncccc23)c1,UNGHYARTWSDFMA-UHFFFAOYSA-N
-rxn:4:202233:223179,CONC(=O)c1cc(-c2ccc(N3CCCC(C)C3)nc2C(=O)OC(C)(C)C)ccc1F,GFFOHEKUVCAERX-UHFFFAOYSA-N
-rxn:4:202236:223179,CONC(=O)c1cc(-c2cncc(C3CCN(C(=O)OC(C)(C)C)CC3C)c2)ccc1F,NBLDIVAHNLCTPY-UHFFFAOYSA-N
-rxn:4:202242:224416,CN1CCN(Cc2cccc(C(=O)c3ccc(-c4cnc(C(F)(F)C(F)(F)C(F)(F)F)nc4)cc3)c2)CC1,GRXVULMMAADUKV-UHFFFAOYSA-N
-rxn:4:202267:223279,O=C(C1CN(Cc2cccc(-c3cnc(C4CCCN4)nc3)c2)CCO1)N1CCCCC1,AZPZKEBMRLBUKI-UHFFFAOYSA-N
-rxn:4:202271:223179,CONC(=O)c1cc(-c2ccccc2CN2CCCC(C(=O)N3CCOCC3)C2)ccc1F,FKKVONSOGHQKGT-UHFFFAOYSA-N
-rxn:4:202272:223179,CONC(=O)c1cc(-c2ccc(CN3CCCC(C(=O)N4CCSCC4)C3)cc2)ccc1F,JTUDUGIGDSYTKH-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:4:202286:223179,CONC(=O)c1cc(-c2cc(C(C)C)c(S(=O)(=O)N3CCN(C(C)=O)CC3)cc2C)ccc1F,YOPBCOCCJJOMKS-UHFFFAOYSA-N
-rxn:4:202286:226844,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:4:202288:223179,CONC(=O)c1cc(-c2cccc(C(=O)N3CCCSCC3CN3CCOCC3)c2)ccc1F,LMJYFNJPWWOKLL-UHFFFAOYSA-N
-rxn:4:202289:223179,CONC(=O)c1cc(-c2ccc(OC)cc2C(=O)N2CCCN(C3CCSC3)CC2)ccc1F,VZWCCVGWXFEIHT-UHFFFAOYSA-N
-rxn:4:202289:223279,COc1ccc(-c2cnc(C3CCCN3)nc2)c(C(=O)N2CCCN(C3CCSC3)CC2)c1,HSJTVSIVPNEFEY-UHFFFAOYSA-N
-rxn:4:202291:223179,CONC(=O)c1cc(-c2ccc(CN3CCCC(C(F)(F)F)C3)c(N3CCOCC3)c2)ccc1F,JUOSONMWICCVKV-UHFFFAOYSA-N
-rxn:4:202291:223279,FC(F)(F)C1CCCN(Cc2ccc(-c3cnc(C4CCCN4)nc3)cc2N2CCOCC2)C1,CJKAVQHYXGOYGL-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:4:202307:223279,CCN1CCN(S(=O)(=O)c2cc(C)c(-c3cnc(C4CCCN4)nc3)cc2C(C)C)CC1,SNCYMROOPVONCM-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:4:202308:223179,CONC(=O)c1cc(-c2cccc(N3CCN(C(=O)OC(C)(C)C)C(C)C3)c2C)ccc1F,XNKYIQJBSNBGJG-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:4:202310:222631,CC(C)(C)c1cc(-c2ccc(S(=O)(=O)N3CCCSCC3CN3CCOCC3)cc2)cc(C2CCNCC2)n1,FMDYJGXMKFOVHQ-UHFFFAOYSA-N
-rxn:4:202310:222742,O=S(=O)(c1ccc(-c2cc(C3CCNCC3)nc(C3CC3)c2)cc1)N1CCCSCC1CN1CCOCC1,MXENWCGTHKVSNY-UHFFFAOYSA-N
-rxn:4:202310:223140,O=S(=O)(c1ccc(-c2ccnc(C3CCCNC3)c2)cc1)N1CCCSCC1CN1CCOCC1,DJQMSZLNMFYCQM-UHFFFAOYSA-N
-rxn:4:202310:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3ccc(S(=O)(=O)N4CCCSCC4CN4CCOCC4)cc3)c2)CC1,ILHVIMGQFBLATO-UHFFFAOYSA-N
-rxn:4:202311:223279,O=C(C1CCN(Cc2ccc(-c3cnc(C4CCCN4)nc3)cc2)CC1)N1CCC(F)(F)CC1,YQAZVLVJRCYCEX-UHFFFAOYSA-N
-rxn:4:202312:223179,CONC(=O)c1cc(-c2cccc(CN3CCC(C(=O)N4CCC(F)(F)CC4)CC3)c2)ccc1F,PGJGSQFQACSCBO-UHFFFAOYSA-N
-rxn:4:202320:223179,CONC(=O)c1cc(-c2cc(F)cc(N3CCN(O[Si](C)(C)C(C)(C)C)CC3)c2)ccc1F,CPJPDTDALOPKIB-UHFFFAOYSA-N
-rxn:4:202321:226844,O=C(c1cc(-c2ccc(CN3CCCC(C(F)(F)F)C3)c(N3CCCCC3)c2)ccn1)C(F)(F)F,UMZJYSSTKGLSCY-UHFFFAOYSA-N
-rxn:4:202322:223279,FC(F)(F)C1CCN(Cc2ccc(-c3cnc(C4CCCN4)nc3)cc2N2CCCCC2)CC1,PCCCYPHFSOMGAB-UHFFFAOYSA-N
-rxn:4:202328:227837,COC1CCN(C2CCN(S(=O)(=O)c3ccccc3-c3cc(C)cc(C4CC4)c3)CC2)CC1,LCERHIKWSJIHOA-UHFFFAOYSA-N
-rxn:4:202328:227839,COC1CCN(C2CCN(S(=O)(=O)c3ccccc3-c3c(C)cccc3C3CC3)CC2)CC1,VSHLYLFUIFEWBS-UHFFFAOYSA-N
-rxn:4:202328:228711,COC1CCN(C2CCN(S(=O)(=O)c3ccccc3-c3cc(C)cnc3C#N)CC2)CC1,IEHKPYBBLNPEQK-UHFFFAOYSA-N
-rxn:4:202328:229011,COC1CCN(C2CCN(S(=O)(=O)c3ccccc3-c3ccc(C4CC4)s3)CC2)CC1,ZQWUUWPXCMYXGS-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:4:202398:224082,CCC(C(=O)OC(C)(C)C)c1cccc(-c2cnc(OC)c3ccc(OS(=O)(=O)C(F)(F)F)nc23)c1,IFBQPAQQQMKROL-UHFFFAOYSA-N
-rxn:4:202518:222759,Cc1cc(NC(=O)OC(C)(C)C)cc(-c2nc3c(s2)CN(C(=O)OC(C)(C)C)[C@H]3C(C)C)c1,NHPXHEKPRNMHOB-FQEVSTJZSA-N
-rxn:4:202518:222899,CCCCNS(=O)(=O)c1ccc(-c2nc3c(s2)CN(C(=O)OC(C)(C)C)[C@H]3C(C)C)cc1,PCNFYRRRBRBCLM-FQEVSTJZSA-N
-rxn:4:202526:223279,COCC(=O)N=C1SC2CS(=O)(=O)CC2N1c1ccc(-c2cnc(C3CCCN3)nc2)cc1,PYZALRXUAWEGFF-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:4:202567:223279,CCCC(=O)N=C1SC2CS(=O)(=O)CC2N1c1ccc(-c2cnc(C3CCCN3)nc2)cc1,ATCKPXRBNUFUIK-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:4:202569:223279,CCCC(=O)N=C1SC2CS(=O)(=O)CC2N1c1ccc(-c2cnc(C3CCCN3)nc2)cc1F,RQDZSFVQUWLFQA-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:4:202596:223179,CCCN1C(=O)C(=C2C(=O)N(CCC)c3ccc(-c4ccc(F)c(C(=O)NOC)c4)cc32)SC1=S,CUNMUDAEMIUQLQ-UHFFFAOYSA-N
-rxn:4:202596:223279,CCCN1C(=O)C(=C2C(=O)N(CCC)c3ccc(-c4cnc(C5CCCN5)nc4)cc32)SC1=S,NREXNFOUZNMXIJ-UHFFFAOYSA-N
-rxn:4:202597:223179,CCCCCN1C(=O)C(=C2SC(=S)N(C)C2=O)c2cc(-c3ccc(F)c(C(=O)NOC)c3)ccc21,TZYHBFVFGZKTPK-UHFFFAOYSA-N
-rxn:4:202604:223179,CCOC(=O)C1=C(C)N=C2SCCC(=O)N2C1c1ccc(-c2ccc(F)c(C(=O)NOC)c2)cc1,BCJSCDLRDGMPFF-UHFFFAOYSA-N
-rxn:4:202656:223939,CC(C)(C)OC(=O)N1CCN(c2cccc3sc(-c4ccc5c(c4)N(C(=O)OC(C)(C)C)CCO5)cc23)CC1,COWKECLLLHVEKP-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:4:202675:223947,CCN(C(=O)OC(C)(C)C)c1ccc(-c2cn([Si](C(C)C)(C(C)C)C(C)C)c3ncccc23)c(F)c1,ZASHDVJCSVRBBS-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:4:202689:223279,CC(C)(C)OC(=O)N1C(=O)CCC(N2Cc3cc(-c4cnc(C5CCCN5)nc4)ccc3C2=O)C1=O,KTDDVVZVFGQKCK-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:4:202697:223279,COc1ccc(N2C(=NC(=O)c3ccc(-c4cnc(C5CCCN5)nc4)cc3)SC3CS(=O)(=O)CC32)cc1,YHEKLVSOFYQQSX-UHFFFAOYSA-N
-rxn:4:202700:223179,CONC(=O)c1cc(-c2ccc(CC(=O)N3C4CCC3CC(N3C(=O)CCC3=O)C4)cc2)ccc1F,CTOKXDCGOIKFAL-UHFFFAOYSA-N
-rxn:4:202712:223179,CONC(=O)c1cc(-c2ccc3c(c2)CN([C@H]2CCCN(C(=O)OC(C)(C)C)C2)C3=O)ccc1F,BUOYBCWGOMMGMG-IBGZPJMESA-N
-rxn:4:202712:223279,CC(C)(C)OC(=O)N1CCC[C@H](N2Cc3cc(-c4cnc(C5CCCN5)nc4)ccc3C2=O)C1,WAZVBXRJZXRBRE-AIBWNMTMSA-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:4:202807:222593,Cc1cccc(NS(=O)(=O)c2ccc(-c3ccc(Sc4c(C)nn(C(=O)C56CC7CC(CC(C7)C5)C6)c4C)cc3)cc2)c1,ODJPRDFXFIYJAJ-UHFFFAOYSA-N
-rxn:4:202807:223200,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2ccc(C3CCNC3)cc2)cc1,WQMRMEDYVBYRFC-UHFFFAOYSA-N
-rxn:4:202807:223867,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2cccc(OCCCN3CCC(C)CC3)c2)cc1,YPRREUJNQCTDME-UHFFFAOYSA-N
-rxn:4:202807:223894,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2cccc(OCCCN3CCN(C)CC3)c2)cc1,FFIIDERGIKSNNQ-UHFFFAOYSA-N
-rxn:4:202807:224363,CCN(CC)S(=O)(=O)c1cc(OC)cc(-c2ccc(Sc3c(C)nn(C(=O)C45CC6CC(CC(C6)C4)C5)c3C)cc2)c1,DVFVPJUOFUUWOF-UHFFFAOYSA-N
-rxn:4:202807:224663,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2ccc(CN3CCN(C)CC3)c(F)c2)cc1,VMIQMHKJRZFBPJ-UHFFFAOYSA-N
-rxn:4:202807:226776,COC(=O)c1cc(-c2ccc(Sc3c(C)nn(C(=O)C45CC6CC(CC(C6)C4)C5)c3C)cc2)cc(Cl)c1F,WGLHOMILNYMTGD-UHFFFAOYSA-N
-rxn:4:202807:226989,CCN(CC)c1ccc(-c2ccc(Sc3c(C)nn(C(=O)C45CC6CC(CC(C6)C4)C5)c3C)cc2)cc1,WUJSDIWQTKIEIE-UHFFFAOYSA-N
-rxn:4:202811:223179,CONC(=O)c1cc(-c2cccnc2OC2CCN(C(=O)C34CC5CC(CC(C5)C3)C4)CC2)ccc1F,WLSSZGDKBGRTIY-UHFFFAOYSA-N
-rxn:4:202811:226844,O=C(c1cc(-c2cccnc2OC2CCN(C(=O)C34CC5CC(CC(C5)C3)C4)CC2)ccn1)C(F)(F)F,IWLWUWPYXVQOFY-UHFFFAOYSA-N
-rxn:4:203100:223503,CCCOc1ncc(-c2c(F)cc(OC3CCN(C(=O)OC(C)(C)C)CC3)cc2F)c(C)n1,FZFCRDYJJGBUIP-UHFFFAOYSA-N
-rxn:4:203564:224485,COC(=O)c1cnn(C2CCCCO2)c1-c1ccn([Si](C(C)C)(C(C)C)C(C)C)c1,OTRHCBHWDAKURZ-UHFFFAOYSA-N
-rxn:4:203728:222723,COC(=O)C1CCN(c2ccc(-c3cccc(NS(=O)(=O)N4CCOCC4)c3)cn2)CC1,SVMLHTBAXDXRMH-UHFFFAOYSA-N
-rxn:4:203737:222723,COC(=O)C1CCN(c2ccncc2-c2cccc(NS(=O)(=O)N3CCOCC3)c2)CC1,YEIWZIPUPAGEAH-UHFFFAOYSA-N
-rxn:4:203800:222723,CC(=O)N1CCC(Cc2cccc(-c3cccc(NS(=O)(=O)N4CCOCC4)c3)n2)CC1,BAGYFMILCFFRAM-UHFFFAOYSA-N
-rxn:4:203830:225898,CCN1CCN(C(=O)c2c(F)cc(-c3cnn(CCN4CCOCC4)c3)cc2F)CC1,GSVJBXSVKDYAFO-UHFFFAOYSA-N
-rxn:4:203833:223279,O=C(c1ccc(-c2cnc(C3CCCN3)nc2)o1)N1CCC(N2C(=O)CSC2=O)CC1,DCIXALOMXNBAKE-UHFFFAOYSA-N
-rxn:4:203889:222776,COC(=O)c1ccc(-c2ccc(CN3CCC(O)CC3)cc2F)cc1N1CCN(C)CC1,CHVVHPYZNNBCLW-UHFFFAOYSA-N
-rxn:4:203937:224846,CCC1CCC(c2ccc(-c3ccccc3S(=O)(=O)N3CC(N4CCCC4)C3)cc2)CC1,HSGOSKSKISWUBZ-UHFFFAOYSA-N
-rxn:4:203985:223279,O=C(c1ccccc1-c1cnc(C2CCCN2)nc1)N1CCC(N2C(=O)COC2=O)CC1,KPPAOWBQKAZFDW-UHFFFAOYSA-N
-rxn:4:204011:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(S(=O)(=O)N2CCC(N(C)C)CC2)cc1,AHPLKCWHDYTCTG-UHFFFAOYSA-N
-rxn:4:204011:225294,CCN1CCN(c2ncc(-c3ccc(S(=O)(=O)N4CCC(N(C)C)CC4)cc3)cn2)CC1,MHJYTJTULXGSKU-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:4:204013:225294,CCN1CCN(c2ncc(-c3ccccc3S(=O)(=O)N3CCC(N(C)C)CC3)cn2)CC1,RKTQCHTUNOSYJU-UHFFFAOYSA-N
-rxn:4:204014:224819,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)c2)CC1,YGABUDKSCDJFNY-UHFFFAOYSA-N
-rxn:4:204029:225366,CC1CN(S(C)(=O)=O)CCN1Cc1ccc(-c2ccc(C(C)(F)F)cc2C(F)(F)F)cc1,SJHJDOMBMCSTBS-UHFFFAOYSA-N
-rxn:4:204077:223179,CONC(=O)c1cc(-c2ccc(CN3CCC(F)(F)C3)c(N3CCOCC3)c2)ccc1F,FNDACJVAUUZSLR-UHFFFAOYSA-N
-rxn:4:204082:223279,O=C(c1cccc(-c2cnc(C3CCCN3)nc2)c1)N1CCC(N2C(=O)COCC2=O)CC1,IIKPCYLVKUYNSV-UHFFFAOYSA-N
-rxn:4:204109:223279,O=C1COCC(=O)N1C1CCN(S(=O)(=O)c2ccccc2-c2cnc(C3CCCN3)nc2)CC1,ZKGJKZNNMBJQGP-UHFFFAOYSA-N
-rxn:4:204119:223179,CONC(=O)c1cc(-c2ccc(CN3CCC(F)(F)C3)c(N3CCCCC3)c2)ccc1F,JSNRFTZKCMPFHG-UHFFFAOYSA-N
-rxn:4:204134:223190,CNS(=O)(=O)c1ccc(F)cc1-c1ccccc1S(=O)(=O)N1CCCN(C2CCOC2)CC1,ZICRYFWVXIDABQ-UHFFFAOYSA-N
-rxn:4:204134:223191,CNS(=O)(=O)c1ccc(-c2ccccc2S(=O)(=O)N2CCCN(C3CCOC3)CC2)cc1F,ASSAYZKJTADIGV-UHFFFAOYSA-N
-rxn:4:204134:223192,CNS(=O)(=O)c1cc(-c2ccccc2S(=O)(=O)N2CCCN(C3CCOC3)CC2)ccc1F,YIHYFWCPWQNZJV-UHFFFAOYSA-N
-rxn:4:204136:223179,CONC(=O)c1cc(-c2ccc(CN3CCCC(F)(F)C3)c(N3CCOCC3)c2)ccc1F,AMOXJHQHMGGFLH-UHFFFAOYSA-N
-rxn:4:204136:223279,FC1(F)CCCN(Cc2ccc(-c3cnc(C4CCCN4)nc3)cc2N2CCOCC2)C1,RNFABXHJZQQGAQ-UHFFFAOYSA-N
-rxn:4:204141:223179,CONC(=O)c1cc(-c2cccc(C3CCN(C(=O)C4CCCCC4)CC3)n2)ccc1F,WIYVEIVXHLMCCB-UHFFFAOYSA-N
-rxn:4:204142:223179,CONC(=O)c1cc(-c2ccc(CN3CCOC(C)C3)c(N3CCOCC3)c2)ccc1F,XQZPWXLSPXUNLU-UHFFFAOYSA-N
-rxn:4:204150:223279,O=C(c1cccc(-c2cnc(C3CCCN3)nc2)c1)N1CCCN(C2CCSCC2)CC1,MQSJURKPQFYWJJ-UHFFFAOYSA-N
-rxn:4:204151:223179,CONC(=O)c1cc(-c2cc(CN3CCC(F)(F)CC3)cc(N3CCCCC3)c2)ccc1F,LKJOUTSMWYGRBZ-UHFFFAOYSA-N
-rxn:4:204152:223179,CONC(=O)c1cc(-c2ccc(CN3CCC(F)(F)CC3)c(N3CCCCC3)c2)ccc1F,QRPWDKNQKNNKHE-UHFFFAOYSA-N
-rxn:4:204152:223279,FC1(F)CCN(Cc2ccc(-c3cnc(C4CCCN4)nc3)cc2N2CCCCC2)CC1,XWOYMPTUDFFHKY-UHFFFAOYSA-N
-rxn:4:204162:224179,CN1CCN(CCOc2ccc(-c3ccc(C4=NC5(CCCCC5)N(C(=O)c5ccccc5)C4=S)cc3)cc2)CC1,HWDBDYHXPFJNLM-UHFFFAOYSA-N
-rxn:4:204166:223179,CONC(=O)c1cc(-c2ccc(CN3CCCCC3C)c(N3CCOCC3)c2)ccc1F,YYTMGXITCRVVOH-UHFFFAOYSA-N
-rxn:4:204169:223179,CONC(=O)c1cc(-c2ccc(CN3CCOC(C)C3)c(N3CCCCC3)c2)ccc1F,GILLQJOGPFRKAH-UHFFFAOYSA-N
-rxn:4:204169:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(CN2CCOC(C)C2)c(N2CCCCC2)c1,VNZMCMGCTCCTLO-UHFFFAOYSA-N
-rxn:4:204179:223999,Cc1ccc(N2CCN(S(=O)(=O)c3cc(C)c(-c4cc(S(=O)(=O)N5CCC(C)CC5)ccc4F)cc3C)CC2)cc1C,QPINRMFNEQHZEL-UHFFFAOYSA-N
-rxn:4:204321:223898,COC(=O)c1nc2c(C(F)(F)F)cc(-c3ccc(N(C(=O)OC(C)(C)C)C(C)C)cc3)cn2c1Cl,LMVHWRISZWIHJA-UHFFFAOYSA-N
-rxn:4:204510:223534,CC(C)(C)OC(=O)N1CCC(Oc2cc(-c3ccc4c(n3)CN(C(=O)OC(C)(C)C)C4)c(F)cn2)CC1,YBJHYKBKLZPDKZ-UHFFFAOYSA-N
-rxn:4:204514:223885,CC(C)(C)OC(=O)N1CCc2ccc(-c3cnc4c(c3)CN(C(=O)OC(C)(C)C)C4)cc2C1,OJTGOKDRQPRRSV-UHFFFAOYSA-N
-rxn:4:204595:223579,CC1CN(C(=O)OC(C)(C)C)CCN1c1ccc(-c2nc3c(s2)CCN(C(=O)OC(C)(C)C)CC3)cc1,ACFGGOMTCCUMKC-UHFFFAOYSA-N
-rxn:4:204599:223776,CC(C)(C)OC(=O)N1CCOc2ccc(-c3ccnc4c3CCN(C(=O)OC(C)(C)C)C4)cc2C1,YHXIVBYLPDXTNO-UHFFFAOYSA-N
-rxn:4:204602:223490,Cc1ccc(-c2cnc3c(c2)CCCN3C(=O)OC(C)(C)C)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,UNDIDPURBCCQDW-UHFFFAOYSA-N
-rxn:4:204605:223596,CC1CN(C(=O)OC(C)(C)C)c2ncc(-c3ccc(Cl)cc3N3CCN(C(=O)OC(C)(C)C)CC3)cc21,BKDVQKUMDJNHPW-UHFFFAOYSA-N
-rxn:4:204606:223498,CC(C)(C)OC(=O)N1CCCN(C(=O)c2ccc(-c3cc4c(nc3Cl)CN(C(=O)OC(C)(C)C)CC4)cc2)CC1,UNUJJSQLVYOSAX-UHFFFAOYSA-N
-rxn:4:204606:225361,CC(C)(C)OC(=O)N1CCc2cc(-c3cn(C4CCCC4)nc3C(F)(F)F)c(Cl)nc2C1,MGCSDCMAKUKWMS-UHFFFAOYSA-N
-rxn:4:204643:225009,CSC1CC2CCC(C1)N2C(=O)c1cncc(-c2cc(C)cnc2OC2CCCCC2)c1,FVMYSVDQKDKJJL-UHFFFAOYSA-N
-rxn:4:204683:224188,CC(C)N(C(=O)c1ccc(-c2cnc3c(c2)N(C(=O)OC(C)(C)C)CC3(C)C)c(Cl)c1)C(C)C,SPJJJZFJUZCGTH-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:4:204694:223179,CONC(=O)c1cc(-c2ccc(N3C(=NC(=O)C4CC4)SC4CS(=O)(=O)CC43)cc2)ccc1F,FEJQTIMKJZEFFK-UHFFFAOYSA-N
-rxn:4:204694:223279,O=C(N=C1SC2CS(=O)(=O)CC2N1c1ccc(-c2cnc(C3CCCN3)nc2)cc1)C1CC1,AXESTZVOIPABSM-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:4:204705:223279,O=C(N=C1SC2CS(=O)(=O)CC2N1c1ccc(-c2cnc(C3CCCN3)nc2)cc1Cl)C1CC1,AEFFCOZDEUGRBD-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:4:204706:223279,O=C(N=C1SC2CS(=O)(=O)CC2N1c1ccc(-c2cnc(C3CCCN3)nc2)cc1F)C1CC1,TZXHTVPZCCVBQM-UHFFFAOYSA-N
-rxn:4:204722:222606,CC(C)C(=O)N=C1SC2CS(=O)(=O)CC2N1c1cccc(-c2cccc(C(F)(F)F)c2C(=O)NC(C)(C)C)c1,BJMFSQXRGHFSAB-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:4:204723:224807,CC(C)Oc1cc(C(F)(F)F)cc(-c2ccc(N3C(=NC(=O)C(C)C)SC4CS(=O)(=O)CC43)cc2)c1F,OUMZWEUHMNKKTQ-UHFFFAOYSA-N
-rxn:4:204754:224609,CC(C)N(C(=O)c1ccncc1-c1ccc(C(=O)N=C2SC3CS(=O)(=O)CC3N2c2ccc(Cl)cc2)cc1)C(C)C,WJTMVMHMAGNEKG-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:4:204781:223179,CONC(=O)c1cc(-c2ccccc2C(=O)N2C3CCC2CC(N2C(=O)CCC2=O)C3)ccc1F,GLHLBRYMRSLEMZ-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:4:204833:223179,CONC(=O)c1cc(-c2ccc(N3C=C(C(=O)N4CCCC4)S(=O)(=O)c4ccc(Cl)cc43)cc2C)ccc1F,CQUPIRSTZUILNY-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:4:204842:223179,CONC(=O)c1cc(-c2ccc(N3C=C(C(=O)N4CCOCC4)S(=O)(=O)c4ccccc43)cc2C)ccc1F,MQTBVGDVYIUFLR-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:4:204846:223179,CONC(=O)c1cc(-c2ccc(CN3C(=O)N(c4cc(C)ccc4C)C4CS(=O)(=O)CC43)c(F)c2)ccc1F,OWQBEACELAXUHP-UHFFFAOYSA-N
-rxn:4:204860:223179,CONC(=O)c1cc(-c2ccc(OC)cc2C(=O)N2C3CCC2CC2(C3)CN(C)C(=O)CO2)ccc1F,SZCUQQBMKWWFKC-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:4:204893:223179,CONC(=O)c1cc(-c2nc3c(s2)C2CCCC(C3)N2C(=O)OC(C)(C)C)ccc1F,WUIZJKLYNBXHKN-UHFFFAOYSA-N
-rxn:4:206414:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cnccc3C(=O)N3CCOCC3)ccn2)CC1,YYNPOGOYHNAROI-UHFFFAOYSA-N
-rxn:4:206431:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cnc(Cl)c(C(=O)N4CCOCC4)c3)c2Cl)CC1,TZGOUSDSQGKVTO-UHFFFAOYSA-N
-rxn:4:206945:222741,Cc1nc(C2CCCN(S(C)(=O)=O)C2)sc1-c1cc(C2CC2)nc(C2CCCNC2)c1,PIEVYNQKVFORBF-UHFFFAOYSA-N
-rxn:4:206956:222621,CC(C)Cc1cc(-c2cccc(S(=O)(=O)N3CCN(C)CC3)c2)cc(C2CCCNC2)n1,MLVONZWYNCKLIJ-UHFFFAOYSA-N
-rxn:4:207061:222465,CN1CCCN(S(=O)(=O)c2cccc(-c3cc(C4CCCCC4)nc(C4CCCNC4)c3)c2)CC1,CHTAYXGDFHJMQS-UHFFFAOYSA-N
-rxn:4:207064:224320,Cc1cc(-c2cc(S(=O)(=O)N3CCCCC3)ccc2C)c(S(=O)(=O)N2CCN(C)CC2)cc1Cl,SPZZUOBTLLXYSF-UHFFFAOYSA-N
-rxn:4:207068:222466,CN1CCN(c2ccc(-c3cc(C4CCCCC4)nc(C4CCNCC4)c3)cc2C2CC2)CC1,BDYHQLPDYRSFBF-UHFFFAOYSA-N
-rxn:4:207068:223481,CN1CCN(c2ccc(-c3ccc(S(=O)(=O)N4CCC(O[Si](C)(C)C(C)(C)C)CC4)cc3F)cc2C2CC2)CC1,WWHYPNLUUQAYLM-UHFFFAOYSA-N
-rxn:4:207619:223557,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc(N4C=C(C#N)S(=O)(=O)c5cc(F)ccc54)cc3)c(F)ccc21,PBEXLQGMURAVLF-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:4:207759:223279,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:4:207834:223179,CONC(=O)c1cc(-c2cc(C)c(N3C(=NC(C)=O)SC4CS(=O)(=O)CC43)c(C)c2)ccc1F,JEBGBGOENBTGRF-UHFFFAOYSA-N
-rxn:4:207834:223279,CC(=O)N=C1SC2CS(=O)(=O)CC2N1c1c(C)cc(-c2cnc(C3CCCN3)nc2)cc1C,FHVPMGINALHLHW-UHFFFAOYSA-N
-rxn:4:207857:223279,CC1OC2(CC3CCC(C2)N3C(=O)c2ccc(-c3cnc(C4CCCN4)nc3)o2)CN(C)C1=O,LXDDIAGKRRESQF-UHFFFAOYSA-N
-rxn:4:209239:223521,CC(c1cccc(-c2cncc(C3=NCCC3)c2)c1)N1CCN(C(=O)OC(C)(C)C)CC1,JMSMHVSDVKCJLP-UHFFFAOYSA-N
-rxn:4:211089:224486,CC(C)N(C(=O)c1cccc(-c2ccc3c(c2)N2CCCCCC2=C(C#N)S3(=O)=O)c1)C(C)C,VBYRISCXQOEIBW-UHFFFAOYSA-N
-rxn:4:211101:225794,Cc1ccc(C2=NN3C(C2)c2cc(-c4cnc(OC5CCCCC5)nc4)ccc2OC32CCC(C)CC2)cc1,DLYLPMLHQNHENW-UHFFFAOYSA-N
-rxn:4:211101:227613,Cc1ccc(C2=NN3C(C2)c2cc(-c4cnn(C5CCOCC5)c4)ccc2OC32CCC(C)CC2)cc1,WWIYHBPGUDMXQB-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:4:212569:223179,CONC(=O)c1cc(-c2cnn(CC3CN(C(=O)CSC4CCCC4)C3)c2)ccc1F,NTNZDCWRNDPGMJ-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:4:212594:223179,CONC(=O)c1cc(-c2cnc(OC3CCN(C(=O)CSC4CCCC4)C3)nc2)ccc1F,YTBSFSWKLXBWIC-UHFFFAOYSA-N
-rxn:4:212594:223279,O=C(CSC1CCCC1)N1CCC(Oc2ncc(-c3cnc(C4CCCN4)nc3)cn2)C1,FFTHLZDNQUEZJB-UHFFFAOYSA-N
-rxn:4:212600:222714,CC(C)(C)OC(=O)Nc1cc(F)c(F)c(-c2cnc(OC3CCCN(C(=O)COc4ccccc4)C3)nc2)c1,OESISWSPZHZBBP-UHFFFAOYSA-N
-rxn:4:212606:223179,CONC(=O)c1cc(-c2cnc(OCC3CCCN(C(=O)CC(C)C)C3)nc2)ccc1F,KXWFCXFFQRJWHI-UHFFFAOYSA-N
-rxn:4:212608:223279,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:4:212619:223279,CC(C)(C)OC(=O)N1CCCC(COc2ncc(-c3cnc(C4CCCN4)nc3)cn2)C1,CICGHWOWXSOLGZ-UHFFFAOYSA-N
-rxn:4:212630:223179,CONC(=O)c1cc(-c2cncc(C(=O)N3CCCC(COc4ncccc4C(F)(F)F)C3)c2)ccc1F,FVXLUUFJTRWYTF-UHFFFAOYSA-N
-rxn:4:212631:223179,CONC(=O)c1cc(-c2cncc(C(=O)N3CCC(COc4ncccc4C(F)(F)F)CC3)c2)ccc1F,OROJACOTGLLBQO-UHFFFAOYSA-N
-rxn:4:212647:223279,CC(C)(C)OC(=O)N1CCCCC1CCc1cnc(-c2cnc(C3CCCN3)nc2)cn1,UPLAMXYLETZDBN-UHFFFAOYSA-N
-rxn:4:212649:226255,CCCCOc1ccc(Cl)cc1-c1cnc(OCC2CCCN(C(=O)C(C)(C)CC)C2)nc1,LWVQKBDBUSGNMK-UHFFFAOYSA-N
-rxn:4:212649:226496,CCN(CC)c1cc(F)c(-c2cnc(OCC3CCCN(C(=O)C(C)(C)CC)C3)nc2)cn1,JYTVOKHJWKNXNX-UHFFFAOYSA-N
-rxn:4:212650:223279,CC(C)(C)CC(=O)N1CCCC(COc2ncc(-c3cnc(C4CCCN4)nc3)cn2)C1,SBMPPPSOJHADBU-UHFFFAOYSA-N
-rxn:4:212650:226554,CCCOc1cc(F)c(-c2cnc(OCC3CCCN(C(=O)CC(C)(C)C)C3)nc2)cc1F,POXFDBICXGRRAF-UHFFFAOYSA-N
-rxn:4:212650:227480,CCCOc1nccc(-c2cnc(OCC3CCCN(C(=O)CC(C)(C)C)C3)nc2)c1Cl,DKOIMTFJZONYAG-UHFFFAOYSA-N
-rxn:4:212653:223507,COC(=O)c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)c(-c2ccccc2S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)n1,SSUNTJPVYAVJJW-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:4:212656:223938,COC(=O)c1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)c(-c2cc3cc(Cl)ccc3n2C(=O)OC(C)(C)C)c1,WWRIBAIKQPBRPU-UHFFFAOYSA-N
-rxn:4:212656:226773,COC(=O)c1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)c(-c2ccc(Cl)c(C(=O)OC)c2F)c1,YMFXDDMTTMUFJE-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:4:212692:223179,CONC(=O)c1cc(-c2cncc(CC(=O)N3CCN(C(=O)OC(C)(C)C)C(C)C3)c2)ccc1F,SRMAADHFCONKNB-UHFFFAOYSA-N
-rxn:4:212725:223179,CONC(=O)c1cc(-c2ccc(C(=O)N3CCC(COc4ccc(C(C)(C)C)nn4)CC3)cc2)ccc1F,LJRCYTJPQKGGDI-UHFFFAOYSA-N
-rxn:4:212730:222960,COc1ccc(-c2noc(C3CCCN(S(=O)(=O)c4ccc(-c5cc(C)cc(C6CCNCC6)c5)cc4)C3)n2)c(OC)c1,PTNSHGKQORPVCE-UHFFFAOYSA-N
-rxn:4:212740:224158,CC(C)(C)OC(=O)N1CCN(c2cc(CN3CCCCC3)cc(-c3ccc4c(ccn4C(=O)OC(C)(C)C)c3)c2)CC1,HYKSLNKVCYYMRS-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:4:212749:226844,CC1CN(Cc2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2N2CCCCC2)CCN1C(=O)OC(C)(C)C,QYQXPZVLZCVUAB-UHFFFAOYSA-N
-rxn:4:212771:225223,CC1CCN(c2cc(F)c(-c3ccc4nc(N(CCN(C)C)C(=O)C5=COCCO5)sc4c3)cn2)CC1,IFTHNCCOZMGFQB-UHFFFAOYSA-N
-rxn:4:212771:225982,CN(C)CCN(C(=O)C1=COCCO1)c1nc2ccc(-c3cnc(N4CCOCC4)cc3F)cc2s1,MKGQRZVOQDAJLE-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:4:212799:223179,CONC(=O)c1cc(-c2ccc3nc(N(CCN(C)C)C(=O)C4CCCCC4)sc3c2)ccc1F,GWJLFTNUPOZWCF-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:4:212848:223179,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:4:212849:223179,CONC(=O)c1cc(-c2ccccc2C(=O)N(Cc2ccccc2)c2nnc(C34CC5CC(CC(C5)C3)C4)s2)ccc1F,MJWXOWXARAAYSH-UHFFFAOYSA-N
-rxn:4:212908:224775,CCOC(=O)N1CCCC(Oc2ncc(-c3cnc(C(F)(F)F)c(C4CCCC4)c3)cn2)C1,TUTLSCICGNHDLF-UHFFFAOYSA-N
-rxn:4:212943:223279,CCOC(=O)N1CCN(c2ncc(-c3cnc(C4CCCN4)nc3)cc2C(F)(F)F)CC1,ZPVTVOYLCQBHHK-UHFFFAOYSA-N
-rxn:4:212967:222584,O=C(C1CC1)N1CCC(COc2ncc(-c3ccc(OCCCN4CCNCC4)c(F)c3)cn2)CC1,DYEOLXOODVKLAV-UHFFFAOYSA-N
-rxn:4:212970:223748,Cc1nc(OC2CN(C(=O)OC(C)(C)C)C2)ncc1-c1cc(N2CCCCC2)cc(N2CCCCC2)c1,AYQWHIULXZCEMM-UHFFFAOYSA-N
-rxn:4:212973:223279,O=C(CN1CCOC1=O)N1CCC(Oc2ncccc2-c2cnc(C3CCCN3)nc2)C1,HJWMXPDLQRPQNP-UHFFFAOYSA-N
-rxn:4:212989:222813,CC(C)(C)OC(=O)Nc1ncc(-c2ncc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)s2)cc1Cl,OXRGDGYUEJBTDZ-UHFFFAOYSA-N
-rxn:4:212992:223179,CONC(=O)c1cc(-c2cnc(OCC3CCCN(S(=O)(=O)C4CC4)C3)nc2)ccc1F,WUCIJUSKUMGRNW-UHFFFAOYSA-N
-rxn:4:213011:225875,CC(C)C(=O)N1CCCC(COc2ncc(-c3ccc(N4CCOCC4)cc3Cl)cn2)C1,PMVPCZLUOCWCQT-UHFFFAOYSA-N
-rxn:4:213039:223179,CONC(=O)c1cc(-c2cncc(OC3CCN(C(=O)OC(C)(C)C)CC3)n2)ccc1F,GPAZJZALOORBEU-UHFFFAOYSA-N
-rxn:4:213040:223179,CONC(=O)c1cc(-c2cnc(OC3CCN(C(=O)OC(C)(C)C)C3)c(C)n2)ccc1F,YPIKOOQEWMLOTN-UHFFFAOYSA-N
-rxn:4:213041:223179,CONC(=O)c1cc(-c2cnc(OC3CCN(C(=O)OC(C)(C)C)CC3)cn2)ccc1F,GGNVWHJRYRFXLP-UHFFFAOYSA-N
-rxn:4:213042:223179,CONC(=O)c1cc(-c2cnc(OC3CCCN(C(=O)OC(C)(C)C)C3)cn2)ccc1F,PZQCKLBDUJHWRE-UHFFFAOYSA-N
-rxn:4:213044:223179,CONC(=O)c1cc(-c2cnc(OC3CCN(C(=O)OC(C)(C)C)CC3)nc2)ccc1F,OLPKWDRAALQJAI-UHFFFAOYSA-N
-rxn:4:213044:223635,CC(C)(C)OC(=O)N1CCC(Oc2ncc(-c3ccc(C4CCN(C(=O)OC(C)(C)C)CC4)cc3)cn2)CC1,OTZDRIDEPFBQRY-UHFFFAOYSA-N
-rxn:4:213045:223179,CONC(=O)c1cc(-c2cnc(OCC3CCCN(C(=O)C4CCC4)C3)nc2)ccc1F,UNTCHNXDLNSBGM-UHFFFAOYSA-N
-rxn:4:213046:223179,CONC(=O)c1cc(-c2cnc(OC3CCN(C(=O)OC(C)(C)C)C3)nc2C)ccc1F,GBQMCHMMHOWQMH-UHFFFAOYSA-N
-rxn:4:213048:224320,COc1ccc(S(=O)(=O)N2CC(Cn3cc(-c4cc(S(=O)(=O)N5CCCCC5)ccc4C)cn3)C2)cc1C,XZSRZUAFWIEBEB-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:4:213053:223279,O=C(C1CC(F)(F)C1)N1CCCC(COc2ncc(-c3cnc(C4CCCN4)nc3)cn2)C1,XEJDRPBVIOTSMF-UHFFFAOYSA-N
-rxn:4:213058:224686,O=C(Cc1ccc(F)cc1)N1CCCC(Oc2ncc(-c3ccc(C(=O)N4CCCCC4)cc3F)cn2)C1,BWMLVZBQJPRBBV-UHFFFAOYSA-N
-rxn:4:213074:223992,Cc1ccc(-c2nccn2CC2CCN(C(=O)OC(C)(C)C)CC2)cc1S(=O)(=O)N1CCN(C)CC1,QKPBAZUEUXHGGA-UHFFFAOYSA-N
-rxn:4:213076:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2cnn(-c3ccc(S(=O)(=O)N(C(C)C)C(C)C)cc3)c2)cc1,ORDBLNGXHHIDSP-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:4:213078:223179,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:4:213079:223179,CONC(=O)c1cc(-c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cn2)ccc1F,QZBGQLGCUFRXFC-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:4:213095:223179,CONC(=O)c1cc(-c2cc(C#N)ccc2N2CCN(C(=O)OC(C)(C)C)CC2)ccc1F,NOXXPXNDJJZXOQ-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:4:213099:223179,CONC(=O)c1cc(-c2cnn(C3CCN(C(=O)OC(C)(C)C)CC3)c2C(F)(F)F)ccc1F,SNKMPOGHBXPTST-UHFFFAOYSA-N
-rxn:4:213100:224651,CC(C)(C)OC(=O)N1CCC(n2cc(-c3c(F)cccc3O[Si](C)(C)C(C)(C)C)c(C(F)(F)F)n2)CC1,XSPUKQZDFXNMPY-UHFFFAOYSA-N
-rxn:4:213104:223279,O=C(CN1C(=O)CCC1=O)N1CCC(Oc2ncccc2-c2cnc(C3CCCN3)nc2)CC1,OSMROTGBSWJRMP-UHFFFAOYSA-N
-rxn:4:213123:222748,O=C(NCC1CCCO1)c1cccc(-c2ccccc2CC(=O)N2CCN(c3ccnc(C(F)(F)F)c3)C(=O)C2)c1,CLYBBAZLYZUONF-UHFFFAOYSA-N
-rxn:4:213123:222916,O=C(NC1=NCCS1)c1cccc(-c2ccccc2CC(=O)N2CCN(c3ccnc(C(F)(F)F)c3)C(=O)C2)c1,XJACQGDWYGEJHT-UHFFFAOYSA-N
-rxn:4:213123:223085,O=C(Cc1ccccc1-c1cnc(Cl)c(N2CCC(O)C2)c1)N1CCN(c2ccnc(C(F)(F)F)c2)C(=O)C1,YXWKUWGYXKVJCG-UHFFFAOYSA-N
-rxn:4:213123:224088,O=C(Cc1ccccc1-c1ccc(OCCN2CCCCCC2)cc1)N1CCN(c2ccnc(C(F)(F)F)c2)C(=O)C1,FUDYUZODOZRAJU-UHFFFAOYSA-N
-rxn:4:213123:224198,CCN1CCN(Cc2ccc(-c3ccccc3CC(=O)N3CCN(c4ccnc(C(F)(F)F)c4)C(=O)C3)c(F)c2)CC1,XKRALGSQDZTXNC-UHFFFAOYSA-N
-rxn:4:213123:226590,O=C(Cc1ccccc1-c1ccc(OC2CCOC2)nc1)N1CCN(c2ccnc(C(F)(F)F)c2)C(=O)C1,OEPMRLWRMYITRI-UHFFFAOYSA-N
-rxn:4:213123:226679,O=C(Cc1ccccc1-c1cnc(N2CCCC2)cc1F)N1CCN(c2ccnc(C(F)(F)F)c2)C(=O)C1,NAWJACYQUIAHRA-UHFFFAOYSA-N
-rxn:4:213125:223179,CONC(=O)c1cc(-c2cccc(CN3CCN(C(=O)OC(C)(C)C)CC3)n2)ccc1F,ZGGRQKWJBQNKHA-UHFFFAOYSA-N
-rxn:4:213126:223939,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc4c(c3)N(C(=O)OC(C)(C)C)CCO4)nc2)CC1,WIZPKOWZRNWIFF-UHFFFAOYSA-N
-rxn:4:213128:223179,CONC(=O)c1cc(-c2cn(C3CCCN(C(=O)OC(C)(C)C)C3)c(OC)n2)ccc1F,HCEIGNMJVFSLCA-UHFFFAOYSA-N
-rxn:4:213129:223279,COc1nc(-c2cnc(C3CCCN3)nc2)cn1C1CCN(C(=O)OC(C)(C)C)CC1,VHWXPMYCQBLOKS-UHFFFAOYSA-N
-rxn:4:213130:223179,CONC(=O)c1cc(-c2cncc(CN3CCN(C(=O)OC(C)(C)C)CC3)c2)ccc1F,HJLGVBIYWLYDKY-UHFFFAOYSA-N
-rxn:4:213132:225172,CC(C)(C)C(=O)N1CCCC(COc2ncc(-c3cc(CN4CCOCC4)ccc3F)cn2)C1,VCPJBAZDLPKBQO-UHFFFAOYSA-N
-rxn:4:213133:223179,CONC(=O)c1cc(-c2cnc(OCC3CCN(CC4CCCO4)CC3)nc2)ccc1F,IDOVJVRVWXXMFC-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:4:213147:226060,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cncc(-c3cc(C4CC4)cc(C4CC4)c3)c2)CC1,NMHSTDATHGEHRQ-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:4:213160:222389,COc1ccccc1S(=O)(=O)N1CCC(Oc2ncc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)cn2)CC1,BTFVRTHCPOCFTF-UHFFFAOYSA-N
-rxn:4:213164:223279,O=C(C1CCCC1)N1CCCC(COc2ncc(-c3cnc(C4CCCN4)nc3)cn2)C1,YGVJAJBNMIMUDC-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:4:213195:223179,CONC(=O)c1cc(-c2cnc(OCC3CCN(C(=O)C4CCOCC4)CC3)nc2)ccc1F,MIYZXKGQSXLADC-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:4:213203:223929,Cc1ccc(OCC2CCN(S(=O)(=O)c3ccc(-c4cnc5c(c4)CCN(C(=O)OC(C)(C)C)C5)cc3)CC2)nn1,IDBIDLZRURHJCP-UHFFFAOYSA-N
-rxn:4:213203:225182,Cc1ccc(OCC2CCN(S(=O)(=O)c3ccc(-c4ccnc(OC5CCCCC5)c4Cl)cc3)CC2)nn1,FJYIVYASNNRBKJ-UHFFFAOYSA-N
-rxn:4:213203:225222,Cc1ccc(OCC2CCN(S(=O)(=O)c3ccc(-c4cc(N5CCCCC5C)ncc4F)cc3)CC2)nn1,XVJSLINVHWGCMS-UHFFFAOYSA-N
-rxn:4:213213:223940,CN(c1cccc(-c2ccc3c(c2)OCCN3C(=O)OC(C)(C)C)n1)C1CCN(C(=O)OC(C)(C)C)CC1,UBWYCJSDWWEVAJ-UHFFFAOYSA-N
-rxn:4:213219:223279,CCN1CCN(c2ccc(-c3cnc(C4CCCN4)nc3)c(C(=O)OC(C)(C)C)n2)CC1,YACIXEVVGKXVFE-UHFFFAOYSA-N
-rxn:4:213228:228447,CC1CN(S(=O)(=O)c2cncc(-c3cccc(C(F)F)c3F)c2)CCN1C(=O)OC(C)(C)C,DQRFEDBJFQXLIO-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:4:213230:223179,CONC(=O)c1cc(-c2cc(F)c([N+](=O)[O-])c(N3CCN(C(=O)OC(C)(C)C)CC3C)c2)ccc1F,UHWFLTJBVGJULF-UHFFFAOYSA-N
-rxn:4:213230:226844,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:4:213237:223179,CONC(=O)c1cc(-c2ccc(-c3cnc([C@@H]4CC(F)(F)CN4C(=O)OC(C)(C)C)[nH]3)cc2)ccc1F,ZFDMYFDBXSDGBB-NRFANRHFSA-N
-rxn:4:213242:222722,O=[N+]([O-])c1cccc(C2CC(c3ccc(-c4cccc(S(=O)(=O)N5CCC(O)CC5)c4)cc3)=NN2S(=O)(=O)c2ccccc2)c1,IPMIOTPITNYMIS-UHFFFAOYSA-N
-rxn:4:213253:223179,CONC(=O)c1cc(-c2cnccc2OC2CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)C2)ccc1F,IZUXZFTYGDIWAE-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:4:213260:223279,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:4:213262:222833,CC(C)CCC(=O)Nc1cccc(-c2ccc(C(=S)N3CCN(C(=S)c4ccc(N(C)C)cc4)CC3)cc2)c1,IEUPOAOEZXLWQL-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:4:213271:223179,CONC(=O)c1cc(-c2ccc(OC)cc2C(=O)N2CCC(N3CC(=O)N(C4CC4)C3=O)CC2)ccc1F,DYKVMQMYSONIBZ-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:4:213272:223179,CONC(=O)c1cc(-c2ccc(OC3CCN(C(=O)c4ccc(N5CCOCC5)cc4)C3)nc2)ccc1F,KCXOGRUIPJFGMX-UHFFFAOYSA-N
-rxn:4:213279:223506,Cc1ccc(S(=O)(=O)N2N=C(c3ccc(-c4cccc(S(=O)(=O)N5CCN(C(=O)OC(C)(C)C)CC5)c4)cc3)CC2c2cccc([N+](=O)[O-])c2)cc1,VOUFQCUTJHVUEJ-UHFFFAOYSA-N
-rxn:4:213280:223279,FC(F)(F)CN1CCN(Cc2ccc(-c3cnc(C4CCCN4)nc3)cc2N2CCCCC2)CC1,XIRZANMIQRNDCW-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:4:213281:223279,CS(=O)(=O)N1CCC(C(=O)N2CCC(Oc3ncccc3-c3cnc(C4CCCN4)nc3)CC2)CC1,JHHKYTGWLHCNIW-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:4:213289:226844,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:4:213291:223179,CONC(=O)c1cc(-c2ccc(CC(=O)N3CCC(n4nc(C(C)(C)C)ccc4=O)CC3)cc2)ccc1F,LUQHIWTWMAKXOL-UHFFFAOYSA-N
-rxn:4:213320:223279,COC(=O)c1nc(-c2cnc(C3CCCN3)nc2)n2c1CN(C(=O)OC(C)(C)C)CC2,ZKJWBLRVHYTQNS-UHFFFAOYSA-N
-rxn:4:213336:223279,COC(=O)c1nc(-c2cnc(C3CCCN3)nc2)n2c1CCN(C(=O)OC(C)(C)C)CC2,DFDTZNSZZGDFKM-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:4:213338:223279,CN(C)C(=O)CSC1=NC2CS(=O)(=O)CC2N1c1ccc(-c2cnc(C3CCCN3)nc2)cc1F,FLBOTKKSRNUKKE-UHFFFAOYSA-N
-rxn:4:213349:223777,CC(C)(C)OC(=O)N1CCc2c(ccc(-c3nn(Cc4ccccc4)c4c3CN(C(=O)OC(C)(C)C)C4)c2F)C1,YKPBARLEXJLZTN-UHFFFAOYSA-N
-rxn:4:213349:224161,CC(C)(C)OC(=O)N1Cc2ccc(-c3nn(Cc4ccccc4)c4c3CN(C(=O)OC(C)(C)C)C4)cc2C1,PJMMJPYLBIGDLX-UHFFFAOYSA-N
-rxn:4:213354:223179,CONC(=O)c1cc(-c2ccc(CN3CC4CC(C3)N4C(=O)OC(C)(C)C)nc2)ccc1F,QNEXYDXLCMUMEU-UHFFFAOYSA-N
-rxn:4:213355:224863,CC(C)CS(=O)(=O)C1CN(C(=O)c2c3ccc(-c4ccccc4CN(C(C)C)C(C)C)cc3nn2C)C1,CAIVDWVCKKAJRJ-UHFFFAOYSA-N
-rxn:4:213380:223179,CONC(=O)c1cc(-c2ccc(-n3c(SCC(=O)N4CCCCC4)nc4c(c3=O)SCC4)cc2)ccc1F,GHRKCURMNDSPMF-UHFFFAOYSA-N
-rxn:4:213412:227718,CC(C)CS(=O)(=O)C1CCN(C(=O)c2c3ccc(-c4ccc(OC(F)F)cc4F)cc3nn2C)CC1,ZYVDQUABXWVNQZ-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:4:213415:223179,CONC(=O)c1cc(-c2ccc(-n3c(SCC(=O)N4CCCCCC4)nc4c(c3=O)SCC4)cc2)ccc1F,QNENHCRXMZOKLQ-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:4:213451:223179,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:4:213474:223179,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:4:213474:226844,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:4:213475:223179,CONC(=O)c1cc(-c2ccc([C@@H]3c4ccc5c(cnn5C5CCCCCO5)c4C[C@@H](C)N3CC(F)(F)F)c(OC)c2)ccc1F,SGVGDXJDIJLIJU-CKUKIEHJSA-N
-rxn:4:213476:223179,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:4:213663:224755,CC(C)(C)OC(=O)N1CC(c2ncc(-c3cc(C(=O)N4CCOCC4)ccc3F)cn2)C1,SYAQCCHQICKIBP-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:4:213680:223279,O=[N+]([O-])c1cc(F)c(-c2cnc(C3CCCN3)nc2)cc1N1CCN(CC(F)(F)F)CC1,FGSAQOXDVYWQAN-UHFFFAOYSA-N
-rxn:4:213713:222787,CC(C)(C)OC(=O)Nc1ccc(-c2cnc([C@@H]3CCCN3C(=O)OC(C)(C)C)[nH]2)c(Cl)c1,OJHJTUNYIYDSKL-SFHVURJKSA-N
-rxn:4:213755:223637,CC(C)(C)OC(=O)N1CCN(c2nc(-c3ccccc3C3CCCN(C(=O)OC(C)(C)C)C3)cs2)CC1,ZRAMWDLOIJEUKU-UHFFFAOYSA-N
-rxn:4:213755:225287,CC(C)(C)OC(=O)c1cnc(Cl)cc1-c1csc(N2CCN(C(=O)OC(C)(C)C)CC2)n1,DSYOCDKWMIXMBG-UHFFFAOYSA-N
-rxn:4:213798:223065,CC(C)(C)OC(=O)N1CCOC(c2cnc(-c3ccc(N4CCNCC4)cc3F)cn2)C1,SGXXEAXEGZEFOL-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:4:213799:225978,CC(C)(C)OC(=O)N1CCOC(c2cc(-c3ccc(N4CCOCC4)nc3F)ncn2)C1,AHZLBIMBJFZCSH-UHFFFAOYSA-N
-rxn:4:213800:223065,CC(C)(C)OC(=O)N1CCOCC1c1cc(-c2ccc(N3CCNCC3)cc2F)ncn1,AWUHYGQJOAZYEW-UHFFFAOYSA-N
-rxn:4:213800:225172,CC(C)(C)OC(=O)N1CCOCC1c1cc(-c2cc(CN3CCOCC3)ccc2F)ncn1,HXQAMPVLWCLEJS-UHFFFAOYSA-N
-rxn:4:213801:223945,CC(C)(C)OC(=O)N1CCOC(c2cncc(-c3ccc(OCCCN4CCOCC4)c(F)c3)n2)C1,VMHBNIODPWGDRV-UHFFFAOYSA-N
-rxn:4:213801:225898,CC(C)(C)OC(=O)N1CCOC(c2cncc(-c3cnn(CCN4CCOCC4)c3)n2)C1,AUFRUEJWUDWSLY-UHFFFAOYSA-N
-rxn:4:213805:222546,CC(C)(C)OC(=O)N1CCOC(c2ncc(-c3ccc(OCCNC4CCCCC4)c(F)c3)cn2)C1,ONXPLKQMHNBENP-UHFFFAOYSA-N
-rxn:4:213805:223945,CC(C)(C)OC(=O)N1CCOC(c2ncc(-c3ccc(OCCCN4CCOCC4)c(F)c3)cn2)C1,HCIABSLJHAOLQC-UHFFFAOYSA-N
-rxn:4:213805:225829,CC1CCN(c2ncc(-c3cnc(C4CN(C(=O)OC(C)(C)C)CCO4)nc3)cn2)CC1,UTYZMDZSKFZMEN-UHFFFAOYSA-N
-rxn:4:213843:223823,CC(C)(C)OC(=O)N1CCC(n2cc(-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4=O)c3)cn2)CC1,PJHCEORHVYVZEC-UHFFFAOYSA-N
-rxn:4:213875:225976,CC(C)(C)OC(=O)N1CCN(c2cccc(-c3ccnc(N4CCOCC4)c3F)n2)CC1,KFVFSFOQJWQCSM-UHFFFAOYSA-N
-rxn:4:213880:223064,CC(C)(C)OC(=O)N1CCN(c2cnccc2-c2ccc(C3CCNCC3)nc2F)CC1,HZJJIQTVKXUADH-UHFFFAOYSA-N
-rxn:4:213881:224762,CC(C)(C)OC(=O)N1CCC(c2cnc(-c3ccc(C(=O)N4CCOCC4)c(F)c3)cn2)CC1,FYKWNFLLWMCFAM-UHFFFAOYSA-N
-rxn:4:213886:223945,CC(C)(C)OC(=O)N1CCC(c2cncc(-c3ccc(OCCCN4CCOCC4)c(F)c3)n2)CC1,KRHDQUXMVWSCNZ-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:4:213905:223506,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cccc(-c3ccc(S(=O)(=O)N4CCC(Cn5ccnc5)CC4)cc3)c2)CC1,HPLXVQULEFXTHE-UHFFFAOYSA-N
-rxn:4:213910:223279,O=S(=O)(N1CCOCC1)N1CCC(Oc2ncccc2-c2cnc(C3CCCN3)nc2)C1,HGYWUWYEHGCTGA-UHFFFAOYSA-N
-rxn:4:213931:223279,O=C(C1CN(c2ncc(C(F)(F)F)cc2-c2cnc(C3CCCN3)nc2)CCO1)N1CCCC1,HZEGIJDFFARHHE-UHFFFAOYSA-N
-rxn:4:213932:226231,CCCCOc1ncc(-c2cnc(N3CCOC(C(=O)N4CCCC4)C3)c(C(F)(F)F)c2)cc1C,IAZIAFGDHKKUSH-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:4:213954:223279,O=C1C(N2CCC(Oc3ccncc3-c3cnc(C4CCCN4)nc3)C2)CCN1C1CC1,QYZQBPZONWBKTN-UHFFFAOYSA-N
-rxn:4:213955:223279,O=C(C1CC=CCC1)N1CCC(Oc2ncc(-c3cnc(C4CCCN4)nc3)cn2)CC1,UYLRBUSIGUFGKV-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:4:213971:223279,O=C(C1CN(c2ncc(C(F)(F)F)cc2-c2cnc(C3CCCN3)nc2)CCO1)N1CCOCC1,PLZKWWUKHWDBLH-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:4:213973:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cc(C(F)(F)F)cnc3N3CCOC(C(=O)N4CCSCC4)C3)c2Cl)CC1,CTDGVVPGIQSHTJ-UHFFFAOYSA-N
-rxn:4:213974:223179,CONC(=O)c1cc(-c2cccc(N3CCCN(C(=O)OC(C)(C)C)CC3)n2)ccc1F,HJDHFTKQJCEBSE-UHFFFAOYSA-N
-rxn:4:213974:224272,CC(C)(C)OC(=O)N1CCCN(c2cccc(-c3cc4ccncc4n3C(=O)OC(C)(C)C)n2)CC1,JVCMNHJSMMWSHZ-UHFFFAOYSA-N
-rxn:4:213977:223179,CONC(=O)c1cc(-c2cccc(N3CCN(C(=O)OC(C)(C)C)CC3C)n2)ccc1F,AORPCKIPELUUFW-UHFFFAOYSA-N
-rxn:4:213978:223179,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:4:213987:225984,Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1cnc(Cl)c(N2CCOCC2)c1,MFDHEJBDIRRKRN-UHFFFAOYSA-N
-rxn:4:213995:223179,CONC(=O)c1cc(-c2ccc(N3CCN(C)CC3)nc2C(=O)OC(C)(C)C)ccc1F,QDJRCPZGYZINJC-UHFFFAOYSA-N
-rxn:4:213999:223179,CONC(=O)c1cc(-c2cnc(C3CCN(C(=O)OC(C)(C)C)CC3C)nc2)ccc1F,ACNHINYOTVLUNX-UHFFFAOYSA-N
-rxn:4:214000:223279,CC1CN(C(=O)OC(C)(C)C)CCN1c1ncc(-c2cnc(C3CCCN3)nc2)cc1F,KJAITLICOUAWLQ-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:4:214001:223279,CC1CN(c2ncc(-c3cnc(C4CCCN4)nc3)cc2F)CCN1C(=O)OC(C)(C)C,RTWVGCPXVIPFQR-UHFFFAOYSA-N
-rxn:4:214003:223179,CONC(=O)c1cc(-c2cccnc2OC2CCN(C(=O)C3CC(=O)N(C)C3)CC2)ccc1F,WCDPSNPJMOSFSR-UHFFFAOYSA-N
-rxn:4:214008:224416,CC(C)c1sc(-c2cnc(C(F)(F)C(F)(F)C(F)(F)F)nc2)nc1C(=O)N1CCN(c2ccc(F)cc2)CC1,OSQWRHDAONWSCM-UHFFFAOYSA-N
-rxn:4:214014:223064,O=C(c1cncc(-c2ccc(C3CCNCC3)nc2F)c1)N1CCCSCC1CN1CCCC1,MOFXVDYEIKKYAA-UHFFFAOYSA-N
-rxn:4:214014:223179,CONC(=O)c1cc(-c2cncc(C(=O)N3CCCSCC3CN3CCCC3)c2)ccc1F,WBRZTSMJDJEQLB-UHFFFAOYSA-N
-rxn:4:214014:223279,O=C(c1cncc(-c2cnc(C3CCCN3)nc2)c1)N1CCCSCC1CN1CCCC1,YVVAGZNSVFRYTH-UHFFFAOYSA-N
-rxn:4:214026:223279,O=C(C1CCCN(c2ncc(C(F)(F)F)cc2-c2cnc(C3CCCN3)nc2)C1)N1CCOCC1,LFHRSHBNMUUTLG-UHFFFAOYSA-N
-rxn:4:214026:226231,CCCCOc1ncc(-c2cc(C(F)(F)F)cnc2N2CCCC(C(=O)N3CCOCC3)C2)cc1C,GYCOASFWDGAKEF-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:4:214029:223279,O=C(C1CCCN(c2ncc(-c3cnc(C4CCCN4)nc3)cc2C(F)(F)F)C1)N1CCSCC1,VEEPLGDAIXOZEQ-UHFFFAOYSA-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:4:214036:223529,CN(C)c1ccc(C2CC(c3ccc(-c4ccc(CN5CCN(C(=O)OC(C)(C)C)CC5)c(F)c4)cc3)=NN2S(C)(=O)=O)cc1,RWMGRSNSKCPYQG-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:4:214046:223098,CC(=O)NS(=O)(=O)c1ccc(-c2ccc(N3C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@@H]3C)nc2)cc1,WIVVRHRQQQZAML-DLBZAZTESA-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:4:214049:223279,N#CC1CCN(Cc2ccc(-c3cnc(C4CCCN4)nc3)cc2N2CCCCC2)CC1,IYOTYWSXBMZZSF-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:4:214054:223179,CONC(=O)c1cc(-c2ccccc2S(=O)(=O)N2CCC(N3CC(=O)N(C4CC4)C3=O)CC2)ccc1F,DDSYTLQDHPTDJP-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:4:214060:223179,CONC(=O)c1cc(-c2cncc(N3CCC4(CC3)CN(C(=O)OC(C)(C)C)C4)c2)ccc1F,RFQKLKNSBAOQIM-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:4:214069:223489,Cc1ccc(S(=O)(=O)N2CCCC(c3nc(-c4ccc(-c5ccc(S(=O)(=O)N6CCC(O[Si](C)(C)C(C)(C)C)CC6)cc5)cc4)no3)C2)cc1,AYWVPPYBAGLKFJ-UHFFFAOYSA-N
-rxn:4:214070:223179,CONC(=O)c1cc(-c2ccccc2C(=O)N2CCC(N3CC(=O)N(c4ccccc4)C3=O)CC2)ccc1F,YUXFYOUMLWVVMZ-UHFFFAOYSA-N
-rxn:4:214071:226844,O=C(c1cccc(-c2ccnc(C(=O)C(F)(F)F)c2)c1)N1CCN(S(=O)(=O)N2CCCCCC2)CC1,YAAZCFDIVCDSEI-UHFFFAOYSA-N
-rxn:4:214146:223279,CC(C)(C)OC(=O)N1CCn2c(nc(C(F)(F)F)c2-c2cnc(C3CCCN3)nc2)C1,UQOXVTHFCXKQHK-UHFFFAOYSA-N
-rxn:4:214179:223531,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccn4cnc(C5CN(C(=O)OC(C)(C)C)C5)c4c3)cc2Cl)CC1,UGWCRYVDHJQNIM-UHFFFAOYSA-N
-rxn:4:214181:223812,CCCC(=O)N1CCN(c2nc3ccc(-c4cc(F)cc(CN5CCC6(CC5)OCCO6)c4)cc3s2)CC1,BEIICOLBUZNUKV-UHFFFAOYSA-N
-rxn:4:214202:223525,CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(-c3cnc([C@@H]4[C@H]5CC[C@H](C5)N4C(=O)OC(C)(C)C)nc3)c2)CC1,PLMYHVQBVOYDPO-GPUOULLFSA-N
-rxn:4:214223:223594,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)cc(-c3ccc(C(=O)N4CCC(Cn5cnc6ccccc65)CC4)o3)c2)CC1,AAHPIWKXTVWARH-UHFFFAOYSA-N
-rxn:4:214229:223279,CC(C)(C)OC(=O)N1C2CCC1CC(n1cc(-c3cnc(C4CCCN4)nc3)cn1)C2,LLZUGIFIZAFRLD-UHFFFAOYSA-N
-rxn:4:214255:224486,CC(C)N(C(=O)c1cccc(-c2cn([Si](C(C)C)(C(C)C)C(C)C)c3ncnc(Cl)c23)c1)C(C)C,JUHDZNYBWYJNKG-UHFFFAOYSA-N
-rxn:4:214257:223179,CONC(=O)c1cc(-c2ccc(N3C4CCC3CN(C(=O)OC(C)(C)C)C4)nc2)ccc1F,PFLRONRMIIACFC-UHFFFAOYSA-N
-rxn:4:214257:223279,CC(C)(C)OC(=O)N1CC2CCC(C1)N2c1ccc(-c2cnc(C3CCCN3)nc2)cn1,QSOXPHVFEKTKRA-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:4:214308:224188,CC(C)N(C(=O)c1ccc(-c2ccc3c(c2)sc(=NC(=O)c2ccc(S(=O)(=O)N4CCCC4)cc2)n3C)c(Cl)c1)C(C)C,VRUHPTGIAJYLKA-UHFFFAOYSA-N
-rxn:4:214321:223179,CONC(=O)c1cc(-c2ccc3c(c2)ncn3C2CCCN(C(=O)OC(C)(C)C)CC2)ccc1F,VJWQQKGLVBPYDM-UHFFFAOYSA-N
-rxn:4:214333:223179,CONC(=O)c1cc(-c2ccc3c(C)nc(C4CCN(C(=O)OC(C)(C)C)CC4)nc3c2)ccc1F,IPCDYGGZDRRAHA-UHFFFAOYSA-N
-rxn:4:214342:224155,Cc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(-c4cc(C5CC5)cc(N5CCN(C)CC5)c4)cc3)CC2)c2ccccc2n1,OPFZOLTYPMKDGS-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:4:214360:223179,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:4:214361:223179,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:4:214389:223179,CONC(=O)c1cc(-c2ccc3c(c2)C2(C(=O)N3CCC(C)C)c3[nH]c4ccccc4c3CCN2C(C)=O)ccc1F,ONNVRARWJDATAC-UHFFFAOYSA-N
-rxn:4:214389:226844,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:4:214638:225177,O=[N+]([O-])c1cc(-c2ccc(CN3CCSCC3)c(F)c2)cnc1N1CCC(C(F)(F)F)CC1,CXXYDXXQYLBFKD-UHFFFAOYSA-N
-rxn:4:214711:224462,CCS(=O)(=O)N1CCN(c2ccc(-c3ccc(C4CCN(C5CC5)CC4)cc3)cn2)CC1,MZQZQIHNTSJDPN-UHFFFAOYSA-N
-rxn:4:214727:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3ccc(S(=O)(=O)c4nnn(-c5cc(F)ccc5F)c4C)cc3)cc21,NGYSMUAYKMODPM-UHFFFAOYSA-N
-rxn:4:214787:222584,O=C1CN(S(=O)(=O)c2ccc(-c3ccc(OCCCN4CCNCC4)c(F)c3)cc2)CCN1c1ccccn1,RSICKIWOBZPMLP-UHFFFAOYSA-N
-rxn:4:214819:225286,CC(C)(C)OC(=O)c1cnc(F)cc1-c1cc(Cl)cnc1N1CCOC(C(=O)N2CCCC2)C1,OYFZBQKTSTVHNW-UHFFFAOYSA-N
-rxn:4:214820:223650,CC(C)(C)OC(=O)N1CCN(c2ccccc2-c2cnc(N3CCOC(C(=O)N4CCCC4)C3)c(F)c2)CC1,GKQSSMOSBYKRGY-UHFFFAOYSA-N
-rxn:4:214829:222634,O=C(C1CN(c2ncccc2-c2ccc(OCCNC3CCCC3)c(F)c2)CCO1)N1CCSCC1,IEVOGHCXFZDKSO-UHFFFAOYSA-N
-rxn:4:214830:223179,CONC(=O)c1cc(-c2ccc(N3CCOC(C(=O)N4CCSCC4)C3)nc2)ccc1F,IZPAEORTZMXXIR-UHFFFAOYSA-N
-rxn:4:214830:225093,CCCOc1c(Cl)cc(-c2ccc(N3CCOC(C(=O)N4CCSCC4)C3)nc2)cc1OCC,NUJOFNIMWZHSGM-UHFFFAOYSA-N
-rxn:4:214836:224571,CC(C)N1CCN(c2ccc(-c3cc(Cl)cnc3N3CCOC(C(=O)N4CCSCC4)C3)cc2)CC1,NIGCACHVFOMVPT-UHFFFAOYSA-N
-rxn:4:214837:227480,CCCOc1nccc(-c2cnc(N3CCOC(C(=O)N4CCSCC4)C3)c(Cl)c2)c1Cl,AXWUFGRMNYNUAC-UHFFFAOYSA-N
-rxn:4:214838:223279,O=C(C1CN(c2ncc(-c3cnc(C4CCCN4)nc3)cc2F)CCO1)N1CCOCC1,XDFUTDMDJCITTK-UHFFFAOYSA-N
-rxn:4:214838:225093,CCCOc1c(Cl)cc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)c(F)c2)cc1OCC,NRKNHANZPRNYMG-UHFFFAOYSA-N
-rxn:4:214838:225684,Cc1nc(C2CCOCC2)ccc1-c1cnc(N2CCOC(C(=O)N3CCOCC3)C2)c(F)c1,KKJZDUGMLJJJLZ-UHFFFAOYSA-N
-rxn:4:214839:223279,O=C(C1CN(c2ncc(-c3cnc(C4CCCN4)nc3)cc2F)CCO1)N1CCSCC1,KPBPOJBWZODIBR-UHFFFAOYSA-N
-rxn:4:214839:223787,CN1CCN(CCCOc2ccc(-c3cnc(N4CCOC(C(=O)N5CCSCC5)C4)c(F)c3)cc2F)CC1,WZTHGWVGKVBAPH-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:4:214870:226088,CCN(CC)Cc1ccc(-c2cc(Cl)cnc2N2CCCC(C(=O)N3CCOCC3)C2)cc1,XELFBMVCQFGEHM-UHFFFAOYSA-N
-rxn:4:214870:226249,CCCCOc1cc(Cl)cc(-c2cc(Cl)cnc2N2CCCC(C(=O)N3CCOCC3)C2)c1,DQTFMRRZWXNIQS-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:4:214873:223179,CONC(=O)c1cc(-c2cnc(N3CCCC(C(=O)N4CCOCC4)C3)c(F)c2)ccc1F,GWCTZUATYGNNNX-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:4:214875:223279,O=C(C1CCCN(c2ncc(-c3cnc(C4CCCN4)nc3)cc2F)C1)N1CCSCC1,VLUJBRZPFRPZME-UHFFFAOYSA-N
-rxn:4:214875:227252,CCCOc1cc(-c2cnc(N3CCCC(C(=O)N4CCSCC4)C3)c(F)c2)ccc1Cl,WKLHZUWUUFOIKA-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:4:214880:227550,CCOc1ccc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)c(C)c2)c(F)c1Cl,UVZZGXVLDUEZNW-UHFFFAOYSA-N
-rxn:4:214881:223279,O=C(C1CCN(c2ncccc2-c2cnc(C3CCCN3)nc2)CC1)N1CCC(F)(F)CC1,GAOHHLPWRZUFIF-UHFFFAOYSA-N
-rxn:4:214883:223279,O=C(C1CCN(c2ccncc2-c2cnc(C3CCCN3)nc2)CC1)N1CCC(F)(F)CC1,XFGBKMJDKQQDGE-UHFFFAOYSA-N
-rxn:4:214886:223279,O=C(C1CCN(c2ncc(-c3cnc(C4CCCN4)nc3)cc2F)CC1)N1CCC(F)(F)CC1,HKHUAUGTINMPGK-UHFFFAOYSA-N
-rxn:4:214890:223951,CN1CCN(CCOc2ccc(-c3cncc(C(=O)N4CCCN(C5CCSCC5)CC4)c3)cc2F)CC1,LJZHIOGXVMAERB-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:4:214900:226844,CN1CCN(Cc2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2N2CCCCC2)CC1,JNGPAKQHSHTYRY-UHFFFAOYSA-N
-rxn:4:215054:222636,C[C@@H](NC(=O)OC(C)(C)C)c1ccc(-c2ncn3c2CCN(C(=O)OC(C)(C)C)C3=O)cc1,SBWCPDFKFMGALX-OAHLLOKOSA-N
-rxn:4:215214:223179,CONC(=O)c1cc(-c2cnc3n2CC2(COCCN(C(=O)OC(C)(C)C)C2)C3)ccc1F,DFORNOOQDOXTQZ-UHFFFAOYSA-N
-rxn:4:215214:223279,CC(C)(C)OC(=O)N1CCOCC2(Cc3ncc(-c4cnc(C5CCCN5)nc4)n3C2)C1,YUSQIBMNMCAEQU-UHFFFAOYSA-N
-rxn:4:215219:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc4ccc(N5CCOC(C(=O)N6CCOCC6)C5)nc4c3)c2)CC1,VXEKOURAVOYMEF-UHFFFAOYSA-N
-rxn:4:215232:223179,CONC(=O)c1cc(-c2ccc3ccc(N4CCCC(C(=O)N5CCOCC5)C4)nc3c2)ccc1F,HCMLWESXBZAPQF-UHFFFAOYSA-N
-rxn:4:215239:223179,CONC(=O)c1cc(-c2ccc(N3OC4C(=O)N(C5CCCCC5)C(=O)C4C3c3cccnc3)cc2)ccc1F,RWPNWSXHOXBXSD-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:4:215295:223279,CC(C)(C)OC(=O)N1CCC2(CC1)c1ccccc1CCn1c(-c3cnc(C4CCCN4)nc3)cnc12,QLHGDRUXDOYAHU-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:4:215298:223179,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:4:215309:223179,CONC(=O)c1cc(-c2cccc3c2C(=O)N2CCC[C@H]2c2c(C(=O)OC(C)(C)C)ncn2-3)ccc1F,IKVPVZHSDGNFFW-FQEVSTJZSA-N
-rxn:4:215707:223595,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(C#N)c(N4CCOCC4)c3)cc2F)CC1,UEXWXXAGDOYQCJ-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:4:215912:223841,Cc1cc(F)c(-c2cnc(N3CCN(S(C)(=O)=O)CC3)c(Cl)c2)cc1S(=O)(=O)N1CCN(C)CC1,VZTZHGKIDFJLOZ-UHFFFAOYSA-N
-rxn:4:215968:224022,CC1CCCCN1c1cc(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)nc(C2CC2)n1,GKXNMQAHFWBLRO-UHFFFAOYSA-N
-rxn:4:216267:224251,CC1CCCN(C(=O)c2ccc(-c3c(C(=O)N4CCCC5CCCCC54)cnn3C)c(F)c2)C1,CLYCSTNDFMMBRO-UHFFFAOYSA-N
-rxn:4:216354:223279,CC(=O)N1CCC2(CC1)Oc1ccc(-c3cnc(C4CCCN4)nc3)cc1C1CC(c3ccccc3)=NN12,UAOBLFGPLIQQAB-UHFFFAOYSA-N
-rxn:4:217792:223687,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3csc4c(N5CCOCC5)nc(Cl)nc34)cn2)CC1,FEMSQXXYYIVWNZ-UHFFFAOYSA-N
-rxn:4:217889:224064,CC1CCCCN1c1cc(-c2cnc(N3C4CCC3CC(=C3CC3)C4)nc2)cc(C2CC2)c1,GQJPXNOWPDFDMQ-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:4:218567:222787,CN(CC1CN(C(=O)OC(C)(C)C)C1)c1cnc(-c2ccc(NC(=O)OC(C)(C)C)cc2Cl)cn1,CSTJNJONIVCVAN-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:4:218603:223279,O=C(CN1C(=O)CCC1=O)N1CCCC(COc2ncc(-c3cnc(C4CCCN4)nc3)cn2)C1,FMYLWJUPQIDZIA-UHFFFAOYSA-N
-rxn:4:218615:223279,CN(CC1CCN(C(=O)OC(C)(C)C)C1)c1cnc(-c2cnc(C3CCCN3)nc2)cn1,VJTGWWXFSMATQH-UHFFFAOYSA-N
-rxn:4:218615:223502,CN(CC1CCN(C(=O)OC(C)(C)C)C1)c1cnc(-c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c(F)c2)cn1,YRTXSIGSNKHNOF-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:4:218652:223646,CN(CC1CCN(C(=O)OC(C)(C)C)CC1)c1cnc(-c2ccc(OC3CCN(C(=O)OC(C)(C)C)C3)cc2)cn1,FFNZAECJXUWKOW-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:4:218655:223179,CONC(=O)c1cc(-c2cnc(OCC3CCN(C(=O)c4cn(C)c(=O)cc4OC)CC3)nc2)ccc1F,WAFSJSOQMRYZAI-UHFFFAOYSA-N
-rxn:4:218655:225875,COc1cc(=O)n(C)cc1C(=O)N1CCC(COc2ncc(-c3ccc(N4CCOCC4)cc3Cl)cn2)CC1,BCASXKWGOBLRFQ-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:4:218682:222634,CC(=O)N1CCC(C(=O)N2CCCC(COc3ncc(-c4ccc(OCCNC5CCCC5)c(F)c4)cn3)C2)CC1,GKJALUCIHIHCJP-UHFFFAOYSA-N
-rxn:4:218691:222833,CC(C)CCC(=O)Nc1cccc(-c2ccc(-c3cc(N4CCCN(C(=O)COc5ccc(F)cc5)CC4)[nH]n3)cc2)c1,QKEDURWMAPASTO-UHFFFAOYSA-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:4:218696:223179,CONC(=O)c1cc(-c2c(C)nn(C(C)CC(=O)N3CCN(S(=O)(=O)c4ccccc4)CC3)c2C)ccc1F,SQAUMZQJWUAYGN-UHFFFAOYSA-N
-rxn:4:218709:225977,COc1cc(OC)cc(C(=O)N2CCCN(c3cc(-c4ccc(-c5cc(Cl)cnc5N5CCOCC5)cc4)n[nH]3)CC2)c1,INIXEVDGEMLIJN-UHFFFAOYSA-N
-rxn:4:218714:223062,Cc1cc(C)c(S(=O)(=O)N2CCN(C(=O)CCn3nc(C)c(-c4cnc(C5CCNCC5)cc4F)c3C)CC2)c(C)c1,RALFFLNMMKMQIH-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:4:218754:223279,CC(C)(C)OC(=O)N1CCC(n2c(=O)c3scc(-c4cnc(C5CCCN5)nc4)c3n(CC#N)c2=O)CC1,MKFQJYFQQGXEAT-UHFFFAOYSA-N
-rxn:4:218755:223179,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:4:218768:223104,COc1ccc(CCC(=O)N2Cc3cnc(N4CCOCC4)nc3C2)cc1-c1ccc(NC(=O)C(F)(F)F)cc1,XYBFSYLHXQWWIE-UHFFFAOYSA-N
-rxn:4:218813:222723,CN(CC1CN(c2ncc(-c3cccc(NS(=O)(=O)N4CCOCC4)c3)cn2)C1)C(=O)C1CC1,KYZROJQUYPUMFD-UHFFFAOYSA-N
-rxn:4:218824:222735,CN(CC1CN(c2ncc(-c3cccc(C(=O)NC4CCCCC4)c3)cn2)C1)S(=O)(=O)C1CC1,IXSZFQIYFJGPAL-UHFFFAOYSA-N
-rxn:4:218846:223279,O=C(CN1C(=O)CCC1=O)N1CCC(Oc2ncc(-c3cnc(C4CCCN4)nc3)cn2)C1,HNUIBMGMYSWCTE-UHFFFAOYSA-N
-rxn:4:218847:222723,COc1ncccc1C(=O)N1CCC(Oc2ncc(-c3cccc(NS(=O)(=O)N4CCOCC4)c3)cn2)C1,GNYMJDRJMWCMGF-UHFFFAOYSA-N
-rxn:4:218877:223279,O=C(CN1CCOC1=O)N1CCCC(Oc2ncc(-c3cnc(C4CCCN4)nc3)cn2)C1,BYGNGOVTPILRFP-UHFFFAOYSA-N
-rxn:4:218895:222634,CCc1ncnc(OC2CCN(C(=O)c3cncc(-c4ccc(OCCNC5CCCC5)c(F)c4)c3)C2)c1F,LQIGFXUVGDLATC-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:4:218972:222584,Cc1nc(C)c(C(=O)N2CCCC(COc3ncc(-c4ccc(OCCCN5CCNCC5)c(F)c4)cn3)C2)s1,UYAIFWBBTZJJKG-UHFFFAOYSA-N
-rxn:4:218972:224196,CCN1CCN(Cc2cc(F)cc(-c3cnc(OCC4CCCN(C(=O)c5sc(C)nc5C)C4)nc3)c2)CC1,SKXMKIJDJCAOAB-UHFFFAOYSA-N
-rxn:4:218974:224818,Cc1cc(OCC2CCN(c3ncc(-c4ccc(S(=O)(=O)N5CCSCC5)cc4)cc3C#N)CC2)ccn1,CZLHQHIVHKRGCO-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:4:218998:222546,O=C(N1CCOCC1)N1CCCC(COc2ncc(-c3ccc(OCCNC4CCCCC4)c(F)c3)cn2)C1,BBVUJEKDKJXBBU-UHFFFAOYSA-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:4:219001:223179,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:4:219012:223179,CONC(=O)c1cc(-c2cnc(N(C)C3CCCN(C(=O)OC(C)(C)C)C3)nc2)ccc1F,XXOCXOAIXCJNLZ-UHFFFAOYSA-N
-rxn:4:219012:223279,CN(c1ncc(-c2cnc(C3CCCN3)nc2)cn1)C1CCCN(C(=O)OC(C)(C)C)C1,LVOMMFRTKGIOAK-UHFFFAOYSA-N
-rxn:4:219046:223179,CONC(=O)c1cc(-c2cnc(OCC3CCCN(C4CCN(C5CC5)C4=O)C3)nc2)ccc1F,IGOJPOQDYYJYOZ-UHFFFAOYSA-N
-rxn:4:219046:223279,O=C1C(N2CCCC(COc3ncc(-c4cnc(C5CCCN5)nc4)cn3)C2)CCN1C1CC1,VZJUTZYRFFSGRA-UHFFFAOYSA-N
-rxn:4:219046:226249,CCCCOc1cc(Cl)cc(-c2cnc(OCC3CCCN(C4CCN(C5CC5)C4=O)C3)nc2)c1,OWVJBVYWTIGZPC-UHFFFAOYSA-N
-rxn:4:219053:223007,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cncc(-c4cc(F)cc(C5CCNCC5)c4)c3)cn2)CC1,YXWCAVQDUNMSPF-UHFFFAOYSA-N
-rxn:4:219061:223279,CS(=O)(=O)N1CCC(C(=O)N2CCCC(Oc3ncc(-c4cnc(C5CCCN5)nc4)cn3)C2)CC1,NDPGTQIXRYZIBG-UHFFFAOYSA-N
-rxn:4:219062:223179,CONC(=O)c1cc(-c2cccnc2OC2CCN(S(=O)(=O)c3c(C)nn(C(C)C)c3C)C2)ccc1F,BPXKUTWXTSEBLQ-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:4:219142:223279,CC(C)(C)OC(=O)N1CCC(c2n[nH]c3c(C#N)cc(-c4cnc(C5CCCN5)nc4)cc23)CC1,JDBXLGXWGZUWAX-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:4:219312:223591,CC(C)(C)OC(=O)N1CCN(c2ccc(F)c(-c3cnc(OCC4CCCN(c5nccs5)C4)nc3)c2)CC1,LZBMQNUEDRFOFE-UHFFFAOYSA-N
-rxn:4:219312:223595,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(OCC4CCCN(c5nccs5)C4)nc3)cc2F)CC1,XSSZUCUSUJMWDN-UHFFFAOYSA-N
-rxn:4:219371:224368,CN(C(=O)OC(C)(C)C)c1cc(-c2nncn2C2CCN(C(=O)OC(C)(C)C)CC2)cnc1Cl,XBBBKGDBVFLIPZ-UHFFFAOYSA-N
-rxn:4:219381:222634,CSc1ncc(-c2ccc(OCCNC3CCCC3)c(F)c2)c(N2CCN(S(=O)(=O)C3CC3)CC2)n1,IEZUKNDOPAWFQE-UHFFFAOYSA-N
-rxn:4:219410:222943,O=S(=O)(NC1CC1)c1cc(-c2cnc(OC3CCN(S(=O)(=O)N4CCOCC4)C3)nc2)ccc1F,FUWVHYGWYRGWDE-UHFFFAOYSA-N
-rxn:4:219410:223279,O=S(=O)(N1CCOCC1)N1CCC(Oc2ncc(-c3cnc(C4CCCN4)nc3)cn2)C1,YXNAJBRZWTXKIM-UHFFFAOYSA-N
-rxn:4:219414:223279,N#Cc1cc(-c2cnc(C3CCCN3)nc2)cnc1N1CCOC(C(=O)N2CCCC2)C1,TZOAJDFFUZXXCU-UHFFFAOYSA-N
-rxn:4:219419:225877,Cc1nc(N2CCN(C(=O)c3ccc(-c4ccc(Cl)cc4N4CCOCC4)o3)CC2)cc(C(F)(F)F)n1,UTKPCGREOXGKQK-UHFFFAOYSA-N
-rxn:4:219436:223279,N#Cc1cc(-c2cnc(C3CCCN3)nc2)cnc1N1CCOC(C(=O)N2CCOCC2)C1,PFOPUQBXBYRSJY-UHFFFAOYSA-N
-rxn:4:219452:223526,Cc1nc(-c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cc2)n(C2CCN(C(=O)OC(C)(C)C)CC2)n1,KWLWBZVYNZTOMF-UHFFFAOYSA-N
-rxn:4:219453:223179,CONC(=O)c1cc(-c2cnn(CC3CN(C4CCN(C(C)C)C4=O)C3)c2)ccc1F,GFKPQRSGDYOQPX-UHFFFAOYSA-N
-rxn:4:219457:223179,CONC(=O)c1cc(-c2cn(C3CCN(C(=O)OC(C)(C)C)CC3C)nn2)ccc1F,VHWHJQFQQXJZTN-UHFFFAOYSA-N
-rxn:4:219462:223179,CONC(=O)c1cc(-c2cnc(OC3CCCN(S(=O)(=O)N4CCCC4)C3)nc2)ccc1F,RBFIDCAAZJPSNR-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:4:219467:223532,Cc1cccc(OCC2CCCN(c3ncc(-c4cc(F)cc(CN5CCN(C(=O)OC(C)(C)C)CC5)c4)cn3)C2)n1,REDQTHCZECYBDO-UHFFFAOYSA-N
-rxn:4:219473:222584,COc1nc(N2CCOC(C(=O)N3CCCC3)C2)ncc1-c1ccc(OCCCN2CCNCC2)c(F)c1,BPMFJKXSNJKJLT-UHFFFAOYSA-N
-rxn:4:219489:223179,CONC(=O)c1cc(-c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2C)ccc1F,QGAHAUMEFRQHRR-UHFFFAOYSA-N
-rxn:4:219498:226844,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:4:219499:223279,N#Cc1cc(-c2cnc(C3CCCN3)nc2)cnc1N1CCCC(C(=O)N2CCOCC2)C1,XBZZAZCJNBEJQE-UHFFFAOYSA-N
-rxn:4:219501:223279,CSc1ncc(-c2cnc(C3CCCN3)nc2)c(N2CCOC(C(=O)N3CCOCC3)C2)n1,ZOUJKHMOLVMANA-UHFFFAOYSA-N
-rxn:4:219517:223179,CONC(=O)c1cc(-c2cnc(OCC3CCCN(C4CCN(C)C4=O)C3)nc2)ccc1F,JWBIUNCQSASLSE-UHFFFAOYSA-N
-rxn:4:219529:223179,CONC(=O)c1cc(-c2cnc(N3CCCC(C(=O)N4CCOCC4)C3)nc2OC)ccc1F,YNTPLQBWQWOLJZ-UHFFFAOYSA-N
-rxn:4:219530:223179,CONC(=O)c1cc(-c2cnc(OC3CCN(C4CCN(C5CC5)C4=O)CC3)nc2)ccc1F,QWFMICUZLOBCPY-UHFFFAOYSA-N
-rxn:4:219532:223179,CONC(=O)c1cc(-c2cnc(N3CCCC(C(=O)N4CCSCC4)C3)nc2OC)ccc1F,GTJGJEIFAGEZTD-UHFFFAOYSA-N
-rxn:4:219532:223279,COc1nc(N2CCCC(C(=O)N3CCSCC3)C2)ncc1-c1cnc(C2CCCN2)nc1,NHAZFUPNTBGADC-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:4:219551:223179,CONC(=O)c1cc(-c2cnc(OC3CCN(C4CCN(C(C)C)C4=O)CC3)nc2)ccc1F,VLYRSDWXHGAJJE-UHFFFAOYSA-N
-rxn:4:219552:223179,CONC(=O)c1cc(-c2cnc(N3CCC(C(=O)N4CCC(F)(F)CC4)CC3)nc2OC)ccc1F,KKBWRPKEEXVDDF-UHFFFAOYSA-N
-rxn:4:219552:223945,COc1nc(N2CCC(C(=O)N3CCC(F)(F)CC3)CC2)ncc1-c1ccc(OCCCN2CCOCC2)c(F)c1,GMRMJEUFHLZHAV-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:4:219560:223179,CONC(=O)c1cc(-c2ccccc2C(=O)N2CCCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)ccc1F,OCENTRIHJUCKQQ-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:4:219653:222584,CC(C)(C)OC(=O)N1CCN(c2nc3ccc(-c4ccc(OCCCN5CCNCC5)c(F)c4)nc3s2)CC1,GCGJZEHLELNECF-UHFFFAOYSA-N
-rxn:4:219653:223007,CC(C)(C)OC(=O)N1CCN(c2nc3ccc(-c4cc(F)cc(C5CCNCC5)c4)nc3s2)CC1,HILYXOPAUSFTNX-UHFFFAOYSA-N
-rxn:4:219687:223530,CC(C)(C)OC(=O)N1CCC(n2nnc3ccc(-c4cc(F)ccc4CN4CCN(C(=O)OC(C)(C)C)CC4)cc32)CC1,KABWPRSYYITIBG-UHFFFAOYSA-N
-rxn:4:219690:223294,CC(C)(C)OC(=O)N1CCC(n2nnc3cc(F)c(-c4csc(N5CCNCC5)n4)cc32)CC1,NFIDZPQSIQIYAE-UHFFFAOYSA-N
-rxn:4:219692:224274,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cc4cnccc4n3C(=O)OC(C)(C)C)c3cnc(Cl)nc32)CC1,GZMONVFQCOQZEP-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:4:219707:223279,CC(C)(C)OC(=O)N1CCN(c2ncnc3c(F)c(-c4cnc(C5CCCN5)nc4)c(Cl)cc23)CC1,XPINOUIBIAKWBA-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:4:219710:223279,COc1cc(OC)cc(N2C(=O)C3N=NN(c4ccc(-c5cnc(C6CCCN6)nc5)c(C)c4)C3C2=O)c1,DSYDICYXVAXXJF-UHFFFAOYSA-N
-rxn:4:219742:225640,CC1CCCCN1c1cc(-c2cncc(C(=O)N3CCC(Cn4nc5c(cc4=O)CCC5)CC3)c2)ccn1,LFSBJBPAURXLBJ-UHFFFAOYSA-N
-rxn:4:219749:223784,CCN1CCN(CCOc2ccc(-c3ccc(Cn4nc(C(C)C)c5cnn(C(C)(C)C)c5c4=O)cc3)cc2F)CC1,YEJXPCWNDXIJQK-UHFFFAOYSA-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:4:219751:223279,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:4:219751:226844,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:4:219764:223179,CONC(=O)c1cc(-c2c(Cl)cc3c(N4CC5CCC(C4)N5C(=O)OC(C)(C)C)nc(F)nc3c2F)ccc1F,PTNHHQFNXJMJHM-UHFFFAOYSA-N
-rxn:4:219764:223279,CC(C)(C)OC(=O)N1C2CCC1CN(c1nc(F)nc3c(F)c(-c4cnc(C5CCCN5)nc4)c(Cl)cc13)C2,ZKJMYYVDYKDWNZ-UHFFFAOYSA-N
-rxn:4:219764:226844,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:4:219780:226844,CC(=O)N1CCc2c(c(N3CCCc4cc(-c5ccnc(C(=O)C(F)(F)F)c5)c(C(F)F)cc43)nn2C2CCOCC2)C1,VGLHPNBDROKIOC-UHFFFAOYSA-N
-rxn:4:219840:223529,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cnc(N4CCN(CCF)CC4)nc3)cc2F)CC1,IPTOCSDREIBMFS-UHFFFAOYSA-N
-rxn:4:219840:223595,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(N4CCN(CCF)CC4)nc3)cc2F)CC1,LRWOBJQYXHGKGN-UHFFFAOYSA-N
-rxn:4:219845:223534,CC(C)(C)OC(=O)N1CCC(Oc2cc(-c3cnn(CC4CN(c5ncc(Cl)cc5F)C4)c3)c(F)cn2)CC1,ODGULZXZTXQNPY-UHFFFAOYSA-N
-rxn:4:219876:224650,CCN1CCN(C(=O)c2cnn(C)c2-c2cc(F)ccc2OCC2CCOCC2)CC1,GMUNQZLECHHECW-UHFFFAOYSA-N
-rxn:4:219908:222693,CN1CCCN(c2oc(-c3ccc(-c4ccc(S(=O)(=O)NC5CCCCC5)cc4)o3)nc2C#N)CC1,ZWGNLHSFBQVDJQ-UHFFFAOYSA-N
-rxn:4:219908:222723,CN1CCCN(c2oc(-c3ccc(-c4cccc(NS(=O)(=O)N5CCOCC5)c4)o3)nc2C#N)CC1,PIMNXLGMBHCJHH-UHFFFAOYSA-N
-rxn:4:219908:223695,CN1CCCN(c2oc(-c3ccc(-c4cccc(S(=O)(=O)N5CCC6(CC5)OCCO6)c4)o3)nc2C#N)CC1,AGUQSHVIDUBNGQ-UHFFFAOYSA-N
-rxn:4:219934:223527,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)ccc2-c2cnc(N3CCOC(C(=O)N4CCCC4)C3)nc2)CC1,CKAJQGSHWYDLKO-UHFFFAOYSA-N
-rxn:4:219955:223595,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(N4CCOC(C(=O)N5CCSCC5)C4)nc3)cc2F)CC1,FRCYDRDAJRKWIS-UHFFFAOYSA-N
-rxn:4:219981:223179,CONC(=O)c1cc(-c2cnc(N3CCCC(C(=O)N4CCSCC4)C3)nc2)ccc1F,QDTZODLTLUSBPB-UHFFFAOYSA-N
-rxn:4:219991:225748,CN1C(=O)CN(C2CCN(C(=O)c3cncc(-c4ccncc4OCC4CCCO4)c3)CC2)C1=O,GZMNEBACILSCDZ-UHFFFAOYSA-N
-rxn:4:219998:223179,CONC(=O)c1cc(-c2cnc(N3CCC(C(=O)N4CCC(F)(F)CC4)CC3)nc2)ccc1F,KZJHYBQOPLFIQH-UHFFFAOYSA-N
-rxn:4:220041:223818,CC(C)(C)OC(=O)N1CCn2nnc(-c3c(F)cc(F)c4c3ccn4C(=O)OC(C)(C)C)c2C1,SXVOROOWZHVDFM-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:4:220149:223828,CCN1CCN(c2cc(-c3ccc4c(N5CC(C(=O)N6CCOCC6)CC5=O)[nH]nc4c3)cc(C(F)(F)F)c2)CC1,UGPFCXDPBNOOJO-UHFFFAOYSA-N
-rxn:4:220150:223179,CONC(=O)c1cc(-c2ccc3c(N4CC(C(=O)N5CCSCC5)CC4=O)[nH]nc3c2)ccc1F,PGZBAVQABGPCOU-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:4:220221:225877,CN1CCN(C(=O)c2cc3n(n2)CC(c2ccc(-c4ccc(Cl)cc4N4CCOCC4)cc2)OC3)CC1,BWUATHCDXZCWSK-UHFFFAOYSA-N
-rxn:4:220225:223179,CONC(=O)c1cc(-c2ccc3ncnc(N4CCCC(C(=O)N5CCOCC5)C4)c3c2)ccc1F,HPPLYBWIETXGAR-UHFFFAOYSA-N
-rxn:4:220226:223179,CONC(=O)c1cc(-c2ccc3nc(N4CCCC(C(=O)N5CCOCC5)C4)ncc3c2)ccc1F,UDPLXVIOKIMNAE-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:4:220257:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc4c(c3)nn3c(C)c(CC(=O)N5CCOCC5)c(C)nc43)c2)CC1,JSQJHSAAQRJGNT-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:4:220266:226844,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:4:220531:223530,CC(C)(C)OC(=O)N1CCN(Cc2ccc(F)cc2-c2cnc(N3CCC(c4noc5cc(F)ccc45)CC3)nc2)CC1,MKWLFMIXFIYXNH-UHFFFAOYSA-N
-rxn:4:220531:223536,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cnc(N4CCC(c5noc6cc(F)ccc56)CC4)nc3)cc(F)c2F)CC1,PFXKZMSREGYDMQ-UHFFFAOYSA-N
-rxn:4:220531:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cnc(N4CCC(c5noc6cc(F)ccc56)CC4)nc3)c2Cl)CC1,KBVYGTDHEYIFMU-UHFFFAOYSA-N
-rxn:4:220533:224423,CCC[C@H]1CC[C@H](c2ccc(-c3cnc(N4CC(N5CC6CCCC6C5)C4)nc3)cc2)CC1,QWNJXSZYNKJWKO-KCKVDPLKSA-N
-rxn:4:220788:223532,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)cc(-c3cnc(N4CCOCC4)nn3)c2)CC1,ORISPSGKIINPOI-UHFFFAOYSA-N
-rxn:4:220936:223532,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)cc(-c3cn4ccnc4c(N4CCOCC4)n3)c2)CC1,QAKTZRUZGQSCGZ-UHFFFAOYSA-N
-rxn:4:221098:226844,Cn1cc(C(=O)N2CCC(COc3ncc(-c4ccnc(C(=O)C(F)(F)F)c4)cn3)CC2)c(C(F)F)n1,TVDZOXGPLKESCW-UHFFFAOYSA-N
-rxn:4:221106:222946,COc1nccnc1N(C)CC1CCN(C(=O)c2cncc(-c3cnc(N4CCCCC4O)nc3Cl)c2)CC1,AMVFFHGWHZXJOY-UHFFFAOYSA-N
-rxn:4:221107:222589,Cc1ncn(CC(=O)N2CCCC(COc3ncc(-c4ccc(OCCN5CCC(O)CC5)c(Cl)c4)cn3)C2)c(=O)c1C,AZLBILQXYRPYMZ-UHFFFAOYSA-N
-rxn:4:221150:222723,N#Cc1cccc(N2CCCC(COc3ncc(-c4cccc(NS(=O)(=O)N5CCOCC5)c4)cn3)C2)n1,LSALSSINEJPQLC-UHFFFAOYSA-N
-rxn:4:221154:222723,N#Cc1ncccc1N1CCCC(COc2ncc(-c3cccc(NS(=O)(=O)N4CCOCC4)c3)cn2)C1,VLMQUKISGQWIRI-UHFFFAOYSA-N
-rxn:4:221169:222735,Cn1cc(S(=O)(=O)N2CCCC(COc3ncc(-c4cccc(C(=O)NC5CCCCC5)c4)cn3)C2)cn1,UPZBRELQTRZJHQ-UHFFFAOYSA-N
-rxn:4:221169:225943,Cn1cc(S(=O)(=O)N2CCCC(COc3ncc(-c4ccc(C(=O)N5CCOCC5)s4)cn3)C2)cn1,MDXRYGHEEVFLEA-UHFFFAOYSA-N
-rxn:4:221175:222419,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4cccc(S(N)(=O)=O)c4)cn3)C2)C(=O)C1=O,KEKCGFJLLFAFEC-UHFFFAOYSA-N
-rxn:4:221175:223745,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4ccc(C(=O)N(C)CCc5ccccc5)cc4)cn3)C2)C(=O)C1=O,ZDMCONISVKCZHV-UHFFFAOYSA-N
-rxn:4:221175:228495,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4ccn(CC(F)(F)F)n4)cn3)C2)C(=O)C1=O,ABOIWUAQYCQBDQ-UHFFFAOYSA-N
-rxn:4:221177:222786,CC(C)(C)OC(=O)Nc1cc(F)cc(-c2cnc(N3CCC(COc4cc(C5CC5)ncn4)CC3)nc2)c1,WEHGWFCCQINDBB-UHFFFAOYSA-N
-rxn:4:221180:224196,CCN1CCN(Cc2cc(F)cc(-c3cnc(OCC4CCN(C(=O)c5cc(C)n(C)n5)CC4)nc3)c2)CC1,OGJWPGQEIXTEMH-UHFFFAOYSA-N
-rxn:4:221180:224759,Cc1cc(C(=O)N2CCC(COc3ncc(-c4cc(F)cc(C(=O)N5CCOCC5)c4)cn3)CC2)nn1C,MSIIONTYIZWLNM-UHFFFAOYSA-N
-rxn:4:221181:224772,Cc1cc(C(=O)N2CCCC(COc3ncc(-c4ccc(C(=O)N5CCOCC5)cc4Cl)cn3)C2)nn1C,JZCNLYNHYODXGG-UHFFFAOYSA-N
-rxn:4:221191:223602,Cc1cc(N2CCCC(COc3ncc(-c4ccnc(N5CCN(C(=O)OC(C)(C)C)CC5)c4Cl)cn3)C2)nc(C2CC2)n1,GDVIEWDERQLGEM-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:4:221202:226844,O=C(c1ccccc1-c1ccnc(C(=O)C(F)(F)F)c1)N1CCN(Cc2nncn2C2CCCCC2)CC1,GQNGGHVLXWKFCZ-UHFFFAOYSA-N
-rxn:4:221207:222602,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4cc(CC(C)C)sc4S(=O)(=O)NC(C)(C)C)cc3)CC2)n1,FFPKSCUYFBOIQR-UHFFFAOYSA-N
-rxn:4:221207:222610,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4cc(NC(=O)OC(C)(C)C)cc([N+](=O)[O-])c4)cc3)CC2)n1,VOCGFLVJJPQQNA-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:4:221232:226844,N#Cc1cc2c(nc1N1CCCC(COc3ncc(-c4ccnc(C(=O)C(F)(F)F)c4)cn3)C1)CCOC2,VPUMHGVCAGBAOA-UHFFFAOYSA-N
-rxn:4:221237:223534,Cc1[nH]c2ccccc2c1C(=O)CSc1nnc2c(=O)n(-c3ccc(-c4cc(OC5CCN(C(=O)OC(C)(C)C)CC5)ncc4F)cc3)ccn12,OPKLDNSBNVNNJT-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:4:221249:223057,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc4c(-c5cc(Cl)nc(C6CCCNC6)c5)cnn4c3)cc2)CC1,XTLKGLCPRAQDPC-UHFFFAOYSA-N
-rxn:4:221249:223065,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc4c(-c5ccc(N6CCNCC6)cc5F)cnn4c3)cc2)CC1,WYHKPDILKDFJSK-UHFFFAOYSA-N
-rxn:4:221249:225177,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc4c(-c5ccc(CN6CCSCC6)c(F)c5)cnn4c3)cc2)CC1,WNVXVLFPOUCBAR-UHFFFAOYSA-N
-rxn:4:221249:225301,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc4c(-c5cc(OC6CCOCC6)ncc5F)cnn4c3)cc2)CC1,WIKSJKRMOMWOGX-UHFFFAOYSA-N
-rxn:4:221249:225978,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc4c(-c5ccc(N6CCOCC6)nc5F)cnn4c3)cc2)CC1,FTJPMUMPJXOBGM-UHFFFAOYSA-N
-rxn:4:221249:225982,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc4c(-c5cnc(N6CCOCC6)cc5F)cnn4c3)cc2)CC1,IIEFQTSDXODXKI-UHFFFAOYSA-N
-rxn:4:221253:223179,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:4:221269:223179,CCOC(=O)Cn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3ccc(F)c(C(=O)NOC)c3)cc2)n(C)c1=O,UJTHUTFPYNWPRC-UHFFFAOYSA-N
-rxn:4:221325:223536,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cnn(CC4CN(c5ccnc(C6CC6)n5)C4)c3)cc(F)c2F)CC1,IWPXFJBRGUGIDR-UHFFFAOYSA-N
-rxn:4:221365:223893,CCN1CCN(CCOc2cccc(-c3cnc(OCC4CCCN(c5nccnc5C)C4)nc3)c2)CC1,RMZUCPBJSPFEKC-UHFFFAOYSA-N
-rxn:4:221373:223812,Cc1n[nH]c(C)c1C(=O)N1CCCC(Oc2ncc(-c3cc(F)cc(CN4CCC5(CC4)OCCO5)c3)cn2)C1,CSXWIVQKIVNURZ-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:4:221395:223652,COc1ccc(Cl)c2cc(-c3cnc(N4CCC(Cn5cnc(C6CC6)cc5=O)CC4)nc3)n(C(=O)OC(C)(C)C)c12,IYZWQQCDYNVUBI-UHFFFAOYSA-N
-rxn:4:221404:224182,Cc1cc(-c2cccc(CN3CCN(c4ccnc(N(C)C)n4)CC3)c2)ccc1OCCN1CCOCC1,VAHIQUCBZIQHEN-UHFFFAOYSA-N
-rxn:4:221416:222833,CC(C)CCC(=O)Nc1cccc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCCCC5)nn4)CC3)o2)c1,KCRJDWXTWHEETM-UHFFFAOYSA-N
-rxn:4:221419:223579,CC1CN(C(=O)OC(C)(C)C)CCN1c1ccc(-c2cnc(N3CCC(Cn4nc(C(C)(C)C)ccc4=O)CC3)nc2)cc1,VCBNXOQPZYVYQK-UHFFFAOYSA-N
-rxn:4:221432:222833,Cc1cc(N2CCCC2)nc(N2CCN(C(=O)c3cccc(-c4cccc(NC(=O)CCC(C)C)c4)c3)CC2)n1,VMHYKDOBAUEFCV-UHFFFAOYSA-N
-rxn:4:221442:224759,Cc1nc(N2CCOCC2)cc(N2CCN(Cc3ccccc3-c3cc(F)cc(C(=O)N4CCOCC4)c3)CC2)n1,FUSFQHZASXRPMT-UHFFFAOYSA-N
-rxn:4:221445:224759,Cc1cc(N2CCN(Cc3cccc(-c4cc(F)cc(C(=O)N5CCOCC5)c4)c3)CC2)nc(N2CCOCC2)n1,MRLOFKKWAIVXNJ-UHFFFAOYSA-N
-rxn:4:221446:222890,COc1cc(-c2ccc(CN3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)cc(C2CCCNC2)n1,OHEYYMJTVZTYEA-UHFFFAOYSA-N
-rxn:4:221446:223178,CONC(=O)c1ccc(F)c(-c2ccc(CN3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)c1,HQGWIJUXUSBCEI-UHFFFAOYSA-N
-rxn:4:221447:224323,Cc1cc(N2CCN(Cc3ccc(-c4cc(C)c(S(=O)(=O)N5CCCC5)c(C)c4)cc3)CC2)nc(N2CCOCC2)n1,DOJPJUBVEVINLM-UHFFFAOYSA-N
-rxn:4:221454:223179,CONC(=O)c1cc(-c2ccccc2C(=O)N2CCN(c3ccc(N4CCCCCC4)nn3)CC2)ccc1F,AHOCWDHKOWXFEL-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:4:221555:223784,CCN1CCN(CCOc2ccc(-c3ccc(-n4c(C)c(C)n5c6c(=O)n(CCCO)c(=O)n(C)c6nc45)cc3)cc2F)CC1,RDGLNZKSVWPAMG-UHFFFAOYSA-N
-rxn:4:221589:223528,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3cnc(N4CC(Cn5cc(Cl)cn5)C4)nc3)ccc2F)CC1,LWBVLTGAWOEWQO-UHFFFAOYSA-N
-rxn:4:221589:223532,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)cc(-c3cnc(N4CC(Cn5cc(Cl)cn5)C4)nc3)c2)CC1,BYPPWZRKEKPWLH-UHFFFAOYSA-N
-rxn:4:221589:223536,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cnc(N4CC(Cn5cc(Cl)cn5)C4)nc3)cc(F)c2F)CC1,CKIAHMDESGRTPF-UHFFFAOYSA-N
-rxn:4:221589:223593,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(N4CC(Cn5cc(Cl)cn5)C4)nc3)cc2Cl)CC1,UXDCJFPXIWVFID-UHFFFAOYSA-N
-rxn:4:221589:223595,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(N4CC(Cn5cc(Cl)cn5)C4)nc3)cc2F)CC1,NLEATKZYIRLYPM-UHFFFAOYSA-N
-rxn:4:221590:223528,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3cnn(CC4CN(c5ncc(Cl)cn5)C4)c3)ccc2F)CC1,KVMBELANYOHHFA-UHFFFAOYSA-N
-rxn:4:221590:223529,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cnn(CC4CN(c5ncc(Cl)cn5)C4)c3)cc2F)CC1,BOPNGJNTRUVTIU-UHFFFAOYSA-N
-rxn:4:221590:223531,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cnn(CC4CN(c5ncc(Cl)cn5)C4)c3)cc2Cl)CC1,QDYHKQIIMNFYEA-UHFFFAOYSA-N
-rxn:4:221590:223532,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)cc(-c3cnn(CC4CN(c5ncc(Cl)cn5)C4)c3)c2)CC1,PKOPQYAHHSOHES-UHFFFAOYSA-N
-rxn:4:221590:223536,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cnn(CC4CN(c5ncc(Cl)cn5)C4)c3)cc(F)c2F)CC1,DUEOKFDGOPAMTB-UHFFFAOYSA-N
-rxn:4:221591:223528,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3cnn(CC4CN(c5ncc(F)cn5)C4)c3)ccc2F)CC1,JRFRAQQVJXUTGS-UHFFFAOYSA-N
-rxn:4:221591:223529,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cnn(CC4CN(c5ncc(F)cn5)C4)c3)cc2F)CC1,PDALAXPOTBFVDU-UHFFFAOYSA-N
-rxn:4:221591:223531,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cnn(CC4CN(c5ncc(F)cn5)C4)c3)cc2Cl)CC1,AMXUCGDONRWGCG-UHFFFAOYSA-N
-rxn:4:221591:223536,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cnn(CC4CN(c5ncc(F)cn5)C4)c3)cc(F)c2F)CC1,HFMHGFNMERBWIM-UHFFFAOYSA-N
-rxn:4:221591:223593,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnn(CC4CN(c5ncc(F)cn5)C4)c3)cc2Cl)CC1,UOXRLNOFXDCGAO-UHFFFAOYSA-N
-rxn:4:221591:223595,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnn(CC4CN(c5ncc(F)cn5)C4)c3)cc2F)CC1,VEQZWMOVXDZSTG-UHFFFAOYSA-N
-rxn:4:221634:224770,Cc1cc(-c2cnc(N3CCN(c4nccc(C)n4)CC3)c(C(F)(F)F)c2)cc(S(=O)(=O)N2CCCC2)c1,CQMVUPZXPOMVCT-UHFFFAOYSA-N
-rxn:4:221639:222465,Cc1ccc(=O)n(CC2CCN(c3ncc(-c4cc(C5CCCCC5)nc(C5CCCNC5)c4)cn3)CC2)n1,NWEKFXLWHCBNOY-UHFFFAOYSA-N
-rxn:4:221642:223179,CONC(=O)c1cc(-c2cnc(N3CCC(N4CC(=O)N(C5CC5)C4=O)CC3)nc2)ccc1F,PNAICTOWTVPEIO-UHFFFAOYSA-N
-rxn:4:221642:226844,O=C1CN(C2CCN(c3ncc(-c4ccnc(C(=O)C(F)(F)F)c4)cn3)CC2)C(=O)N1C1CC1,HOCQWOLOTWTFSZ-UHFFFAOYSA-N
-rxn:4:221649:223536,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cnn(CC4CN(c5ncnc6sccc56)C4)c3)cc(F)c2F)CC1,WJVWFJUZGJISCJ-UHFFFAOYSA-N
-rxn:4:221721:223536,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cnc(N4CCC(Cn5cnc6ccccc6c5=O)CC4)nc3)cc(F)c2F)CC1,OCRNRQIZHXNOKB-UHFFFAOYSA-N
-rxn:4:221721:223790,CC(C)(C)OC(=O)N1CCCC1c1cncc(-c2cnc(N3CCC(Cn4cnc5ccccc5c4=O)CC3)nc2)c1,WLYOKULFPYLABX-UHFFFAOYSA-N
-rxn:4:221723:223534,CC(C)(C)OC(=O)N1CCC(Oc2cc(-c3cnc(N4CCC(Cn5nc6c(cc5=O)CCC6)CC4)nc3)c(F)cn2)CC1,CROJEYIZYGFDRG-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
-rxn:4:221736:223179,CONC(=O)c1cc(-c2cncc(C(=O)N3CC4CN(c5nc(C)nc6c5CCC6)CC4C3)c2)ccc1F,RKULWBUYFSNECZ-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:4:221834:223529,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cnc(N4CCC(c5ccc6cccnc6n5)CC4)nc3)cc2F)CC1,ZGMDYJVKTDDBRM-UHFFFAOYSA-N
-rxn:4:221834:223592,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(N4CCC(c5ccc6cccnc6n5)CC4)nc3)c(Cl)c2)CC1,HLVNYUWFYPFXIA-UHFFFAOYSA-N
-rxn:4:221836:222819,O=C(Nc1ccc(-c2cnc(N3CCCN(C4=NS(=O)(=O)c5ccccc54)CC3)nc2)cn1)N1CCOCC1,IZYZQKTWZRPKCC-UHFFFAOYSA-N
-rxn:4:221836:222855,COc1cc(-c2cnc(N3CCCN(C4=NS(=O)(=O)c5ccccc54)CC3)nc2)cc(C2CCCNC2)c1,NYFYURYFCOFIBQ-UHFFFAOYSA-N
-rxn:4:221836:224953,O=S1(=O)N=C(N2CCCN(c3ncc(-c4ccc(OCC5CCCCC5)nc4)cn3)CC2)c2ccccc21,GRGVDFYUVLBHLW-UHFFFAOYSA-N
-rxn:4:221836:225294,CCN1CCN(c2ncc(-c3cnc(N4CCCN(C5=NS(=O)(=O)c6ccccc65)CC4)nc3)cn2)CC1,SUUKKAPYQIJSPP-UHFFFAOYSA-N
-rxn:4:221836:225805,CC(c1ccc(-c2cnc(N3CCCN(C4=NS(=O)(=O)c5ccccc54)CC3)nc2)s1)N1CCOCC1,BREAPUHWXSSROJ-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:4:221980:223179,CONC(=O)c1cc(-c2cncc(-c3nn4c(=O)cc(N5CCN(C(=O)OC(C)(C)C)CC5)nc4s3)c2)ccc1F,WSTYKVRVFHZTSU-UHFFFAOYSA-N
-rxn:4:221985:223179,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:4:221985:223526,Cn1cc(-c2nc3cnc(-c4ccc(C(=O)N5CCN(C(=O)OC(C)(C)C)CC5)cc4)cc3n2[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cn1,DAOWDKLIKISZFD-HHHXNRCGSA-N
-rxn:4:221985:224160,Cn1cc(-c2nc3cnc(-c4ccc5c(c4)CCN5C(=O)OC(C)(C)C)cc3n2[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cn1,COITYWLUTRDGFY-XMMPIXPASA-N
-rxn:4:221985:225977,Cn1cc(-c2nc3cnc(-c4cc(Cl)cnc4N4CCOCC4)cc3n2[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cn1,BYGRWLMHFRYUTK-OAQYLSRUSA-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:4:221996:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cnn(CC4CN(c5nccnc5C#N)C4)c3)c2Cl)CC1,RXYRMTHOEXQWKO-UHFFFAOYSA-N
-rxn:4:222008:222634,Cc1nnc(CN2CCC(Oc3ncc(-c4ccc(OCCNC5CCCC5)c(F)c4)cn3)CC2)n1C,ZFRZYTZTONBTCH-UHFFFAOYSA-N
-rxn:4:222031:223834,Cc1cc(-c2cc(C(F)(F)F)cnc2N2CCN(c3ccnc(N(C)C)n3)CC2)cc(C)c1S(=O)(=O)N1CCN(C)CC1,CTTFYOABTQFIQG-UHFFFAOYSA-N
-rxn:4:222037:223489,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCN(c5ccc(-n6ccnc6)nn5)CC4)cc3)cc2)CC1,YIGHBJGOGNFRQH-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:4:222044:224397,Cc1ccn(-c2ccc(N3CCN(S(=O)(=O)c4ccc(-c5ccc(S(=O)(=O)N6CCC(=O)CC6)cc5)cc4)CC3)nn2)n1,BOTPUPUGXONUOU-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:4:222062:222633,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C(=O)NCCN5CCCC5)cc4)cc3)CC2)n1,AGMDCABTZAICMR-UHFFFAOYSA-N
-rxn:4:222062:222861,CCCCNC(=O)c1cc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCN(C)CC5)n4)CC3)cc2)ccc1F,SFHGMIZFKXRDGZ-UHFFFAOYSA-N
-rxn:4:222062:223120,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccc(C(=O)NC5CC5)c4)cc3)CC2)n1,SFNBOECMMWHBOE-UHFFFAOYSA-N
-rxn:4:222062:223356,CNC(=O)c1cccc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCN(C)CC5)n4)CC3)cc2)c1,FNNQEHPNBSSXSE-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:4:222062:225633,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(N5CCCCCC5)nc4)cc3)CC2)n1,FDSOMHLIMQWIRU-UHFFFAOYSA-N
-rxn:4:222062:226424,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(N5CCCC(C)C5)cs4)cc3)CC2)n1,YSXBPQAZHFVFFM-UHFFFAOYSA-N
-rxn:4:222062:227390,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccnn4C4CCCCC4)cc3)CC2)n1,CCYQEIXFGGCOEW-UHFFFAOYSA-N
-rxn:4:222062:228211,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(N5CCCC5)cs4)cc3)CC2)n1,ORDJCQSXVUIJLR-UHFFFAOYSA-N
-rxn:4:222062:228878,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cnn(C5COC5)c4)cc3)CC2)n1,VGAUXANYFIWXHB-UHFFFAOYSA-N
-rxn:4:222062:228879,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccnn4C4COC4)cc3)CC2)n1,YGVVRHFBRHIHKQ-UHFFFAOYSA-N
-rxn:4:222075:223536,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cnn(CC4CN(c5nccn6nc(C7CC7)cc56)C4)c3)cc(F)c2F)CC1,KBMPWENBHHGNKT-UHFFFAOYSA-N
-rxn:4:222077:223592,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(OCC4CCCN(c5nccn6nccc56)C4)nc3)c(Cl)c2)CC1,HMLNXYBNVMYRGM-UHFFFAOYSA-N
-rxn:4:222077:223593,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(OCC4CCCN(c5nccn6nccc56)C4)nc3)cc2Cl)CC1,STYCRVHABGVPJP-UHFFFAOYSA-N
-rxn:4:222077:223594,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)cc(-c3cnc(OCC4CCCN(c5nccn6nccc56)C4)nc3)c2)CC1,FEQBSNJRJKGSJE-UHFFFAOYSA-N
-rxn:4:222077:223595,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(OCC4CCCN(c5nccn6nccc56)C4)nc3)cc2F)CC1,ZCQHXFAXPXQVSZ-UHFFFAOYSA-N
-rxn:4:222077:223596,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)ccc2-c2cnc(OCC3CCCN(c4nccn5nccc45)C3)nc2)CC1,LUYUTOAVBQXOPL-UHFFFAOYSA-N
-rxn:4:222081:223594,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)cc(-c3cnc(OCC4CCCN(c5ncnc6cnccc56)C4)nc3)c2)CC1,HDKXHKRMQQZVBB-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:4:222138:223179,CONC(=O)c1cc(-c2ccc(N3CCCn4c3nc3c4c(=O)n(CCN4CCOCC4)c(=O)n3C)cc2)ccc1F,UCKUHSKVSMXQKA-UHFFFAOYSA-N
-rxn:4:222288:223899,COc1cc(C(=O)N(C(C)C)C(C)C)ccc1-c1ccc(Cl)c(C(=O)N2CCN(c3cc(-n4cncn4)ncn3)CC2)c1,ZFSHJYXRLNKDBZ-UHFFFAOYSA-N
-rxn:4:222334:224683,Cc1cc(N2CCCC2)nc(N2CCN(c3ncc(-c4cc(F)cc(C(=O)N5CCCCC5)c4)cn3)CC2)n1,ZKJQLUODVDDCAN-UHFFFAOYSA-N
-rxn:4:222338:222981,Cc1nc(N2CCOCC2)cc(N2CCN(c3ncc(-c4ccnc(NC5CCCCC5)c4)cn3)CC2)n1,UKPADHNSEUTCBX-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:4:222387:223574,Cn1cc(-c2cnc3nnn(CC4CN(c5ncc(-c6cccc(CN7CCN(C(=O)OC(C)(C)C)CC7)c6)cn5)CCO4)c3n2)cn1,CPGMGOZJAKAUGB-UHFFFAOYSA-N
-rxn:4:222460:183928,COc1cc(NS(=O)(=O)c2ccc(-c3ccc(C(C)N(C(=O)OC(C)(C)C)C4CC4)cc3)cc2)ccc1F,IUEVHPWONXTRNF-UHFFFAOYSA-N
-rxn:4:222523:178420,COC(=O)c1sc2ccc(-c3ccc(S(=O)(=O)NC(C)(C)C)cc3C(F)(F)F)cc2c1C(F)(F)F,SOQDQRPPYURGJT-UHFFFAOYSA-N
-rxn:4:222523:204480,CC(C)(C)NS(=O)(=O)c1ccc(-c2cc(F)c3c(cnn3C(=O)OC(C)(C)C)c2)c(C(F)(F)F)c1,QEUYLGBAGXKLBU-UHFFFAOYSA-N
-rxn:4:222602:177536,CC(C)Cc1cc(-c2ccc(C(=O)C(C)C)c(C(F)(F)F)c2)c(S(=O)(=O)NC(C)(C)C)s1,YKUPIPGRKHGMFA-UHFFFAOYSA-N
-rxn:4:222613:187474,CCCNS(=O)(=O)c1ccc(-c2ccn([Si](C(C)C)(C(C)C)C(C)C)c2)c(C(F)(F)F)c1,GFCVUQXWKNSTCI-UHFFFAOYSA-N
-rxn:4:222681:174009,COC(=O)C(C(C)=O)C(=O)c1ccc(-c2cccc(CNC(=O)OC(C)(C)C)c2F)cc1,KSJCNGRIJVPZGA-UHFFFAOYSA-N
-rxn:4:222712:184093,CC(C)c1ccc(CN(C(=O)c2ccc(-c3ccc(NC(=O)OC(C)(C)C)c(F)c3F)cc2)C2CCS(=O)(=O)C2)cc1,NRNHHHIYTDMHLE-UHFFFAOYSA-N
-rxn:4:222723:203893,CS(=O)(=O)N1CCCC(Cc2cncc(-c3cccc(NS(=O)(=O)N4CCOCC4)c3)c2)C1,XZYBZHZXSUPMGH-UHFFFAOYSA-N
-rxn:4:222723:206946,CS(=O)(=O)N1CCCC(c2cccc(-c3cccc(NS(=O)(=O)N4CCOCC4)c3)n2)C1,YBNACDCEHJPYFG-UHFFFAOYSA-N
-rxn:4:222723:215938,CC(=O)N1CCCN(c2ncccc2-c2cccc(NS(=O)(=O)N3CCOCC3)c2)CC1,CICTUGSGDVVXLV-UHFFFAOYSA-N
-rxn:4:222723:218831,O=C(c1cscn1)N1CCC(COc2ncc(-c3cccc(NS(=O)(=O)N4CCOCC4)c3)cn2)CC1,DMWQIGNEQUYQGK-UHFFFAOYSA-N
-rxn:4:222810:185131,COc1ccc(-c2cc(NC(=O)OC(C)(C)C)ncc2Cl)cc1S(=O)(=O)N(C(C)C)C(C)C,LSDHTJVVQOKDER-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:4:223570:184828,CCN(CC)c1ccc(C(=O)OC)cc1-c1c(F)ncc2c1ccn2[Si](C(C)C)(C(C)C)C(C)C,AXGUDTXECALDSM-UHFFFAOYSA-N
-rxn:4:223570:185491,CON=CC(C)C(=O)c1ccc2c(-c3c(F)ncc4c3ccn4[Si](C(C)C)(C(C)C)C(C)C)c(OC)ccc2c1,AOMDRROVDBBNFI-UHFFFAOYSA-N
-rxn:4:223570:185886,COC(=O)c1ccc(C(F)F)c(-c2c(F)ncc3c2ccn3[Si](C(C)C)(C(C)C)C(C)C)c1C#N,RTPIRTKTFRVIND-UHFFFAOYSA-N
-rxn:4:223580:199589,COC(=O)c1ccc2c(c1)cc(-c1ccc(CN(C(=O)OC(C)(C)C)C(C)C)cn1)n2C(=O)OC(C)(C)C,QKFIZPGMIPDDBE-UHFFFAOYSA-N
-rxn:5:177181:225507:225833,COC(=O)C1CCc2cc(-c3ccc(C(=O)OC(C)C)cc3-c3ccnc(N4CCCCC4)c3F)ccc21,VKXKKULGCQMJGP-UHFFFAOYSA-N
-rxn:5:177732:226663:225978,CC(C)(C)OC(=O)c1ccc(-c2ccc(N3CCSCC3)nc2)c(-c2ccc(N3CCOCC3)nc2F)c1,KHDRSYKPDPTFQD-UHFFFAOYSA-N
-rxn:5:177733:226737:225805,CC(c1ccc(-c2cc(C(=O)OC(C)(C)C)cc(-c3ccc(C(F)(F)F)c(C#N)c3)c2)s1)N1CCOCC1,DTVBEXPBNWIJDK-UHFFFAOYSA-N
-rxn:5:177735:226040:226142,Cc1cc(C(=O)OC(C)C)cc(-c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)c1-c1cccc(OC2CCCC2)c1,FKXKVZCQZQANBF-UHFFFAOYSA-N
-rxn:5:177735:226420:222985,Cc1cc(C(=O)OC(C)C)cc(-c2ccc(F)c(N3CCCC3)c2)c1-c1ccc(C2CCCNC2)nc1C,WOZJBTRVOHYIRE-UHFFFAOYSA-N
-rxn:5:177736:223062:225978,CC(C)(C)OC(=O)c1ccc(-c2ccc(N3CCOCC3)nc2F)c(-c2cnc(C3CCNCC3)cc2F)c1,NVYFDCSBGNEDER-UHFFFAOYSA-N
-rxn:5:177736:225976:225849,CC(C)(C)OC(=O)c1ccc(-c2cnc(N3CCCCC3)cc2F)c(-c2ccnc(N3CCOCC3)c2F)c1,SEHIRCQPQBAYAL-UHFFFAOYSA-N
-rxn:5:177736:226679:225982,CC(C)(C)OC(=O)c1ccc(-c2cnc(N3CCOCC3)cc2F)c(-c2cnc(N3CCCC3)cc2F)c1,NNASYZDUTGQHRD-UHFFFAOYSA-N
-rxn:5:177737:225453:225802,CC(C)(C)OC(=O)c1cc(-c2ccc(OC3CCCC3)nc2F)ccc1-c1cccc(SC2CCCCC2)c1,NVKPQBRHODFDPG-UHFFFAOYSA-N
-rxn:5:177737:225623:226144,CC(C)(C)OC(=O)c1cc(-c2ccc(C#C[Si](C)(C)C)cc2)ccc1-c1cccc(OC2CCOCC2)c1,VWUQKFQQGSCVQK-UHFFFAOYSA-N
-rxn:5:177737:225976:223056,CC(C)(C)OC(=O)c1cc(-c2ccc(N3CCC(O)CC3)nc2)ccc1-c1ccnc(N2CCOCC2)c1F,ZIYJGYLGQOVXLK-UHFFFAOYSA-N
-rxn:5:177737:226794:225978,CC(C)(C)OC(=O)c1cc(-c2ccc(N3CCOCC3)nc2F)ccc1-c1cnc(N2CCSCC2)nc1,QFCPXLNIWFNVHM-UHFFFAOYSA-N
-rxn:5:177739:225982:223061,CC(C)(C)OC(=O)c1cccc(-c2cnc(N3CCOCC3)cc2F)c1-c1cc(C2CCNCC2)ncc1F,WAKKCXQYJSDEGB-UHFFFAOYSA-N
-rxn:5:177739:225982:226663,CC(C)(C)OC(=O)c1cccc(-c2cnc(N3CCOCC3)cc2F)c1-c1ccc(N2CCSCC2)nc1,ADZASEGASXUVSC-UHFFFAOYSA-N
-rxn:5:177739:226042:226603,COC(=O)c1cc(F)c(C)c(-c2c(C(=O)OC(C)(C)C)cccc2-c2ccc([N+](=O)[O-])cc2C(F)(F)F)c1,NHZBVECPLKKNJB-UHFFFAOYSA-N
-rxn:5:177850:225677:225924,CCOc1ccc(-c2ccc(C3CCCCC3)nc2F)c(C2OCCO2)c1-c1ccc(S(=O)(=O)N(C)C)cc1C,MISHRVKHTUOHPK-UHFFFAOYSA-N
-rxn:5:177971:226665:226898,Cc1nn(S(=O)(=O)N(C)C)cc1-c1ccc(-c2cnc(C3CCCOC3)nc2)cc1OCC1CCCC1,UXCRBAIRKBFRLX-UHFFFAOYSA-N
-rxn:5:178117:225831:227710,Cc1cc(-c2ccc(-c3ccc(OS(C)(=O)=O)cc3)c(OCC3CCOCC3)c2)cnc1N1CCOCC1,ONOACDLVOYOGSK-UHFFFAOYSA-N
-rxn:5:178117:227710:225683,Cc1nc(C2CCCOC2)ccc1-c1ccc(-c2ccc(OS(C)(=O)=O)cc2)cc1OCC1CCOCC1,XFRSDELEHAYWHV-UHFFFAOYSA-N
-rxn:5:178118:225631:223138,CN1CCN(c2ccc(-c3ccc(-c4ccnc(C5CCNCC5)c4)cc3OCC3CCCCO3)cc2)CC1,ZJPTVWQGAWDDCR-UHFFFAOYSA-N
-rxn:5:178118:227710:222958,Cc1ccc(-c2ccc(-c3ccc(OS(C)(=O)=O)cc3)c(OCC3CCCCO3)c2)cc1C1CCNCC1,DCZFFYOQBVJKTK-UHFFFAOYSA-N
-rxn:5:178118:227710:222960,Cc1cc(-c2ccc(-c3ccc(OS(C)(=O)=O)cc3)c(OCC3CCCCO3)c2)cc(C2CCNCC2)c1,UOWZRUPSYFJJLH-UHFFFAOYSA-N
-rxn:5:178120:225605:227710,Cc1cnc(OC2CCCC2)c(-c2cccc(OCC3CCOCC3)c2-c2ccc(OS(C)(=O)=O)cc2)c1,LDGLJYRHVSVNBX-UHFFFAOYSA-N
-rxn:5:178120:225683:227710,Cc1nc(C2CCCOC2)ccc1-c1cccc(OCC2CCOCC2)c1-c1ccc(OS(C)(=O)=O)cc1,ALLUHQNHCIPWBR-UHFFFAOYSA-N
-rxn:5:178120:225831:227710,Cc1cc(-c2cccc(OCC3CCOCC3)c2-c2ccc(OS(C)(=O)=O)cc2)cnc1N1CCOCC1,LCNSTQNLAANUBK-UHFFFAOYSA-N
-rxn:5:178120:226181:226427,CC1CCN(c2csc(-c3c(OCC4CCOCC4)cccc3-c3ccc(C4=CCCCC4)nc3)c2)CC1,PLAAOFCVXZKUAD-UHFFFAOYSA-N
-rxn:5:178121:225605:227710,Cc1cnc(OC2CCCC2)c(-c2c(OCC3CCOCC3)cccc2-c2ccc(OS(C)(=O)=O)cc2)c1,ZWHQGESOHGKVIB-UHFFFAOYSA-N
-rxn:5:178121:225634:227710,Cc1cc(-c2c(OCC3CCOCC3)cccc2-c2ccc(OS(C)(=O)=O)cc2)cnc1N1CCCCC1,CZKQYYZHRVQBFO-UHFFFAOYSA-N
-rxn:5:178121:225683:227710,Cc1nc(C2CCCOC2)ccc1-c1c(OCC2CCOCC2)cccc1-c1ccc(OS(C)(=O)=O)cc1,ILAZPIHSTSPMSQ-UHFFFAOYSA-N
-rxn:5:178121:225831:227710,Cc1cc(-c2c(OCC3CCOCC3)cccc2-c2ccc(OS(C)(=O)=O)cc2)cnc1N1CCOCC1,LOLJILSOFWVAPZ-UHFFFAOYSA-N
-rxn:5:178122:225462:225445,CC1CCN(c2cccc(-c3ccc(COC4CCCCO4)c(-c4ccccc4OC4CCCCC4)c3)c2)CC1,FFJAKQKTGCWGDF-UHFFFAOYSA-N
-rxn:5:178122:225874:225929,Cc1cc(-c2cc(-c3ccc(F)c(N4CCOCC4)c3)ccc2COC2CCCCO2)ccc1S(=O)(=O)N(C)C,WUJFSKOSCOWTFQ-UHFFFAOYSA-N
-rxn:5:178226:225831:227710,Cc1cc(-c2c(OCC3CCCCC3)cccc2-c2ccc(OS(C)(=O)=O)cc2)cnc1N1CCOCC1,RUKSGLFMVCVFDZ-UHFFFAOYSA-N
-rxn:5:178295:222404:225981,COC(=O)C1(c2cc(-c3cnn(-c4cc(F)cc(F)c4)c3)ccc2-c2ccc(C3NC(=O)NC3=O)cc2)CCC(=O)CC1,YCNCOFKDRUZVKQ-UHFFFAOYSA-N
-rxn:5:178295:222404:228921,COC(=O)C1(c2cc(-c3ccc(C(F)F)nc3)ccc2-c2ccc(C3NC(=O)NC3=O)cc2)CCC(=O)CC1,JFPOPGMEIHCUAW-UHFFFAOYSA-N
-rxn:5:178295:222405:228921,COC(=O)C1(c2cc(-c3ccc(C(F)F)nc3)ccc2-c2cccc(C3NC(=O)NC3=O)c2)CCC(=O)CC1,RYOCBVZTMJODPG-UHFFFAOYSA-N
-rxn:5:178295:223068:223141,COC(=O)C1(c2cc(-c3cncc(C4CCNCC4)c3)ccc2-c2ccc3[nH]c(C(F)(F)F)cc3c2)CCC(=O)CC1,WBYNTFFCCUUJRA-UHFFFAOYSA-N
-rxn:5:178295:223068:227413,COC(=O)C1(c2cc(-c3cnc(C4CCC4)cc3F)ccc2-c2ccc3[nH]c(C(F)(F)F)cc3c2)CCC(=O)CC1,MMJCOVRNAIXRNF-UHFFFAOYSA-N
-rxn:5:178295:223141:223068,COC(=O)C1(c2cc(-c3ccc4[nH]c(C(F)(F)F)cc4c3)ccc2-c2cncc(C3CCNCC3)c2)CCC(=O)CC1,QMDHLJIDOMCMMX-UHFFFAOYSA-N
-rxn:5:178295:223378:223260,CNC(=O)c1cc(F)cc(-c2ccc(-c3cnc4c(c3)NCCO4)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,HIZFHOLZDUVZCV-UHFFFAOYSA-N
-rxn:5:178295:225940:223243,COC(=O)C1(c2cc(-c3cc4[nH]ncc4cc3OC)ccc2-c2cc(C(F)(F)F)cnc2C2CC2)CCC(=O)CC1,YVBQGQWBBSQDTA-UHFFFAOYSA-N
-rxn:5:178295:225940:223244,COC(=O)C1(c2cc(-c3cc4cn[nH]c4cc3OC)ccc2-c2cc(C(F)(F)F)cnc2C2CC2)CCC(=O)CC1,ZKZMFTHWUWKIBN-UHFFFAOYSA-N
-rxn:5:178295:226032:228625,CCc1ccc(-c2ccc(-c3cc(OC)cc(C(F)(F)F)c3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)c1,YZNZLTUDMFGNKR-UHFFFAOYSA-N
-rxn:5:178295:226188:228279,CCc1cc(F)c(-c2ccc(-c3cc(C)c([Si](C)(C)C)cc3C)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)c1,RTRPRGNRANJADE-UHFFFAOYSA-N
-rxn:5:178295:226610:227540,CCc1cc(-c2ccc(-c3cc(SC)cc(F)c3OC)cc2C2(C(=O)OC)CCC(=O)CC2)cc(C(F)(F)F)c1,IJSFWPPLZJMZTG-UHFFFAOYSA-N
-rxn:5:178295:226778:228594,CCc1cc(-c2ccc(-c3cc(OC)c(OC)c(F)c3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc(C)n1,MTGUTPGOCGSTCE-UHFFFAOYSA-N
-rxn:5:178295:226884:227933,CCc1ccc(OC)cc1-c1ccc(-c2c(F)cc(C(F)(F)F)cc2F)c(C2(C(=O)OC)CCC(=O)CC2)c1,XGJFUBOBPYIJKP-UHFFFAOYSA-N
-rxn:5:178295:227052:228003,COC(=O)C1(c2cc(-c3c(C)cc(SC)cc3C)ccc2-c2ccc(SC(C)(C)C)cc2)CCC(=O)CC1,CGLVPTSQJQIOSZ-UHFFFAOYSA-N
-rxn:5:178295:227076:226710,CCC(C)c1ccc(F)c(-c2ccc(-c3ccc(F)c([Si](C)(C)C)c3F)cc2C2(C(=O)OC)CCC(=O)CC2)c1,QSKJYGVMCJCLSH-UHFFFAOYSA-N
-rxn:5:178295:227077:228003,CCC(C)c1ccc(-c2ccc(-c3c(C)cc(SC)cc3C)cc2C2(C(=O)OC)CCC(=O)CC2)c(F)c1,YBEBADGOINPQFL-UHFFFAOYSA-N
-rxn:5:178295:227309:228430,CCC(C)c1cc(-c2ccc(-c3c(F)cc(SC)cc3F)cc2C2(C(=O)OC)CCC(=O)CC2)cc(F)n1,DNKDZJSODVJIDB-UHFFFAOYSA-N
-rxn:5:178295:227311:228256,CCC(C)c1cc(F)c(-c2ccc(-c3cc(C)c(F)c(OC)c3)cc2C2(C(=O)OC)CCC(=O)CC2)cn1,XEPYIUVYCOHKMC-UHFFFAOYSA-N
-rxn:5:178295:227312:227717,CCC(C)c1ccc(-c2ccc(-c3ccc(F)cc3OC(F)F)cc2C2(C(=O)OC)CCC(=O)CC2)c(F)n1,GKVONJAHSKETGH-UHFFFAOYSA-N
-rxn:5:178295:227548:223063,CCOc1ccc(F)c(F)c1-c1ccc(-c2cc(F)nc(C3CCNCC3)c2)cc1C1(C(=O)OC)CCC(=O)CC1,VIJMFQHGSOAYRG-UHFFFAOYSA-N
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-rxn:5:180020:226466:222983,CN1C(=O)COc2cc(-c3cc(-c4cccc(CN5CCC(O)C5)c4)ccc3OC3CCCC3=O)ccc21,LHLWCNFMELLDTK-UHFFFAOYSA-N
-rxn:5:180203:225618:226848,COc1ccc(-c2cc(OC3CCOCC3)cc(-c3cccc(OC4CCCCO4)c3)c2)c(C(F)(F)F)n1,YRZWSDYBCOKHDQ-UHFFFAOYSA-N
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-rxn:5:181905:226426:225987,Cc1ccc(-c2ccc(N3CCCS3(=O)=O)cc2)c(C2OCCO2)c1-c1ccc(N2CCC(C)CC2)s1,GQFPTBRSSYETNI-UHFFFAOYSA-N
-rxn:5:181905:226427:225987,Cc1ccc(-c2ccc(N3CCCS3(=O)=O)cc2)c(C2OCCO2)c1-c1cc(N2CCC(C)CC2)cs1,WPWRFTMZQMWVTF-UHFFFAOYSA-N
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-rxn:5:181906:225985:225639,Cc1ccc(-c2cccc(N3CCCS3(=O)=O)c2)c(C2OCCO2)c1-c1cccnc1N1CCC(C)CC1,RMWIJQFRDXZFAX-UHFFFAOYSA-N
-rxn:5:181908:225636:225986,Cc1cc(-c2ccnc(N3CCC(C)CC3)c2)c(-c2ccccc2N2CCCS2(=O)=O)cc1C1OCCO1,ABDYHLFVUHFPRM-UHFFFAOYSA-N
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-rxn:5:188461:226137:223004,COC(=O)c1cc([N+](=O)[O-])cc(-c2cc(C3CC3)cnc2C(C)C)c1-c1ccc(C2CCNCC2)c(F)c1,FOSLMKAXQZQMHL-UHFFFAOYSA-N
-rxn:5:188787:223002:226794,O=[N+]([O-])c1cc(-c2ccc(C3CCNCC3)cc2F)c(-c2cnc(N3CCSCC3)nc2)cc1OC1CC1,OCCWAACGNZXLFC-UHFFFAOYSA-N
-rxn:5:188787:223006:226794,O=[N+]([O-])c1cc(-c2ccc(F)c(C3CCNCC3)c2)c(-c2cnc(N3CCSCC3)nc2)cc1OC1CC1,XXDDSRQGPBTOBY-UHFFFAOYSA-N
-rxn:5:188787:223138:223006,O=[N+]([O-])c1cc(-c2ccnc(C3CCNCC3)c2)c(-c2ccc(F)c(C3CCNCC3)c2)cc1OC1CC1,PQWDUPMKGGYSGF-UHFFFAOYSA-N
-rxn:5:188787:225499:226794,O=[N+]([O-])c1cc(-c2ccc(C3CCCCC3)cc2F)c(-c2cnc(N3CCSCC3)nc2)cc1OC1CC1,MECBMXMEXZDXJR-UHFFFAOYSA-N
-rxn:5:188787:225674:226794,O=[N+]([O-])c1cc(-c2cnc(C3CCCCC3)cc2F)c(-c2cnc(N3CCSCC3)nc2)cc1OC1CC1,JBJNZUDZINFFBM-UHFFFAOYSA-N
-rxn:5:188787:226331:223063,N#CC1(c2ccc(-c3cc([N+](=O)[O-])c(OC4CC4)cc3-c3cc(F)nc(C4CCNCC4)c3)c(F)c2)CC1,RVSUAYNAWRHZSY-UHFFFAOYSA-N
-rxn:5:188787:226663:225811,O=[N+]([O-])c1cc(-c2ccc(N3CCSCC3)nc2)c(-c2ccc(C3(C(F)(F)F)CC3)cc2)cc1OC1CC1,DVWXKOODTRALOZ-UHFFFAOYSA-N
-rxn:5:188787:226663:225872,O=[N+]([O-])c1cc(-c2ccc(N3CCSCC3)nc2)c(-c2cc(F)c(F)c(N3CCCC3)c2)cc1OC1CC1,DDEHBWVVJCORBV-UHFFFAOYSA-N
-rxn:5:188876:225800:225816,CON(C)C(=O)c1cccc(-c2ccc(C(=O)N3CCSC3)cc2)c1-c1cc(C2CC2)ccc1C(F)(F)F,LBLCNPLZFFRDFE-UHFFFAOYSA-N
-rxn:5:188930:225465:227509,COC(=O)c1cc(S(N)(=O)=O)c(-c2cccc(C3CCN(C)CC3)c2)cc1-c1cnc(F)c(OC(C)C)c1,YOOKBDRDTWLTFI-UHFFFAOYSA-N
-rxn:5:188930:225597:227377,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccc(OC3CCCCC3)nc2)cc1-c1cncnc1C1CCCC1,LCSTTXPMVZFFFS-UHFFFAOYSA-N
-rxn:5:188930:225600:227377,COC(=O)c1cc(S(N)(=O)=O)c(-c2cccnc2OC2CCCCC2)cc1-c1cncnc1C1CCCC1,JFFDRCBQWWLKNY-UHFFFAOYSA-N
-rxn:5:188930:226182:226338,COC(=O)c1cc(S(N)(=O)=O)c(-c2cccnc2C2CCCCC2)cc1-c1ccnc(OC2CCCC2)c1,IJIYKTQGTXWVDT-UHFFFAOYSA-N
-rxn:5:188930:226182:226572,COC(=O)c1cc(S(N)(=O)=O)c(-c2cccnc2C2CCCCC2)cc1-c1cnc(OC2CCCC2)nc1,MMYNYDUSMUZGAU-UHFFFAOYSA-N
-rxn:5:188930:226183:226374,COC(=O)c1cc(S(N)(=O)=O)c(-c2cnccc2C2CCCCC2)cc1-c1cncnc1C1CCCCC1,PZYJVIBKQNNEMS-UHFFFAOYSA-N
-rxn:5:188931:225924:227799,COC(=O)c1cc(-c2ccc(S(=O)(=O)N(C)C)cc2C)cc(S(N)(=O)=O)c1-c1cnc(C(F)(F)F)c(F)c1,MXSHKJQZFPLMSO-UHFFFAOYSA-N
-rxn:5:188932:226177:225794,COC(=O)c1cc(-c2cnc(OC3CCCCC3)nc2)c(S(N)(=O)=O)c(-c2ccnc(C3CCCCC3)c2)c1,IRTGTJMUYHUKJI-UHFFFAOYSA-N
-rxn:5:188932:226177:226572,COC(=O)c1cc(-c2cnc(OC3CCCC3)nc2)c(S(N)(=O)=O)c(-c2ccnc(C3CCCCC3)c2)c1,JYQSFEWMDWTIDM-UHFFFAOYSA-N
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-rxn:5:188932:226966:226835,COC(=O)c1cc(-c2ccc3c(c2)C(=O)CCC3)c(S(N)(=O)=O)c(-c2cc(C(F)(F)F)nn2C(C)C)c1,ZSZCHPUJKKVHTH-UHFFFAOYSA-N
-rxn:5:189000:225634:223004,Cc1cc(-c2cc(OC(C)C)c([N+](=O)[O-])cc2-c2ccc(C3CCNCC3)c(F)c2)cnc1N1CCCCC1,HJPIMOITEXSDIE-UHFFFAOYSA-N
-rxn:5:189001:222958:226884,COC(=O)C1(c2nc(-c3c(F)cc(C(F)(F)F)cc3F)ccc2-c2ccc(C)c(C3CCNCC3)c2)CC1,QHSCCKGUWFDLTR-UHFFFAOYSA-N
-rxn:5:189001:222960:226767,COC(=O)C1(c2nc(-c3cc(OC)ccc3C(F)(F)F)ccc2-c2cc(C)cc(C3CCNCC3)c2)CC1,VIXHHVRTDRLDPO-UHFFFAOYSA-N
-rxn:5:189001:223006:226767,COC(=O)C1(c2nc(-c3cc(OC)ccc3C(F)(F)F)ccc2-c2ccc(F)c(C3CCNCC3)c2)CC1,DOAGKSHGEGHAIO-UHFFFAOYSA-N
-rxn:5:189078:225976:225982,CCN(C)C(=O)c1cc(-c2ccnc(N3CCOCC3)c2F)ccc1-c1cnc(N2CCOCC2)cc1F,ISAQWTAZVOXPMP-UHFFFAOYSA-N
-rxn:5:189078:225978:225976,CCN(C)C(=O)c1cc(-c2ccc(N3CCOCC3)nc2F)ccc1-c1ccnc(N2CCOCC2)c1F,AWKZIRJJYCJFNG-UHFFFAOYSA-N
-rxn:5:189078:225978:225978,CCN(C)C(=O)c1cc(-c2ccc(N3CCOCC3)nc2F)ccc1-c1ccc(N2CCOCC2)nc1F,HZIUYUBDXHERES-UHFFFAOYSA-N
-rxn:5:189078:225978:225982,CCN(C)C(=O)c1cc(-c2ccc(N3CCOCC3)nc2F)ccc1-c1cnc(N2CCOCC2)cc1F,GDXTWXDNLVMLOE-UHFFFAOYSA-N
-rxn:5:189078:225982:225976,CCN(C)C(=O)c1cc(-c2cnc(N3CCOCC3)cc2F)ccc1-c1ccnc(N2CCOCC2)c1F,GGCGAENHZUKUBT-UHFFFAOYSA-N
-rxn:5:189078:225982:225978,CCN(C)C(=O)c1cc(-c2cnc(N3CCOCC3)cc2F)ccc1-c1ccc(N2CCOCC2)nc1F,HRAFVSYRWFPSCV-UHFFFAOYSA-N
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-rxn:5:189080:225933:222404,CN(C)C(=O)Cc1ccc(-c2cc(C3CC3)nc(C(F)(F)F)c2)cc1-c1ccc(C2NC(=O)NC2=O)cc1,LLJTWWLRWCKZEA-UHFFFAOYSA-N
-rxn:5:189083:225978:225870,CCN(C)C(=O)c1cccc(-c2ccc(N3CCOCC3)nc2F)c1-c1cc(F)cc(N2CCOCC2)c1,NAEYRYZDXNTGQJ-UHFFFAOYSA-N
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-rxn:5:189207:226322:223310,Cc1cc(C(=O)N(C)C)ccc1-c1ccc(-c2ccc(NC3CC3)cc2)c(C(=O)ON2C(=O)CCC2=O)c1,UHEGANAADDCMEH-UHFFFAOYSA-N
-rxn:5:189207:228234:226137,CC(C)c1ncc(C2CC2)cc1-c1ccc(-c2c(C3CC3)ccnc2F)cc1C(=O)ON1C(=O)CCC1=O,SWZGGQGZGRQDND-UHFFFAOYSA-N
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-rxn:5:189209:223002:229015,CC(C)c1sccc1-c1cc(C(=O)ON2C(=O)CCC2=O)cc(-c2ccc(C3CCNCC3)cc2F)c1,KGAXMEQLMGIOKN-UHFFFAOYSA-N
-rxn:5:189209:223007:229015,CC(C)c1sccc1-c1cc(C(=O)ON2C(=O)CCC2=O)cc(-c2cc(F)cc(C3CCNCC3)c2)c1,PRWXAJPEEQMEKK-UHFFFAOYSA-N
-rxn:5:189209:223008:229015,CC(C)c1sccc1-c1cc(C(=O)ON2C(=O)CCC2=O)cc(-c2cc(C3CCNCC3)ccc2F)c1,NSVHNKMSWFUCQR-UHFFFAOYSA-N
-rxn:5:189209:226845:226643,COc1ncc(C(F)(F)F)cc1-c1cc(C(=O)ON2C(=O)CCC2=O)cc(-c2ccc(N3CCOCC3)nc2)c1,CNDBKNPWWHZAOJ-UHFFFAOYSA-N
-rxn:5:189209:228154:226608,COc1cccc(OC)c1-c1cc(C(=O)ON2C(=O)CCC2=O)cc(-c2ccc(F)c(F)c2OC(C)C)c1,YEDFRJXAZMVHBO-UHFFFAOYSA-N
-rxn:5:189209:229169:222960,Cc1cc(-c2cc(C(=O)ON3C(=O)CCC3=O)cc(-c3cscc3C(F)F)c2)cc(C2CCNCC2)c1,IADGDMFSMBADPN-UHFFFAOYSA-N
-rxn:5:189210:223062:223013,COC(=O)c1ccc2cc(-c3cccc(-c4cnc(C5CCNCC5)cc4F)c3C(=O)ON3C(=O)CCC3=O)[nH]c2c1,MEZXHFHCFWRVJQ-UHFFFAOYSA-N
-rxn:5:189210:223062:223014,COC(=O)c1cccc2[nH]c(-c3cccc(-c4cnc(C5CCNCC5)cc4F)c3C(=O)ON3C(=O)CCC3=O)cc12,WYNRFGFPXJKNNG-UHFFFAOYSA-N
-rxn:5:189210:223064:223013,COC(=O)c1ccc2cc(-c3cccc(-c4ccc(C5CCNCC5)nc4F)c3C(=O)ON3C(=O)CCC3=O)[nH]c2c1,MYAZCVYMALOIPS-UHFFFAOYSA-N
-rxn:5:189210:223064:223014,COC(=O)c1cccc2[nH]c(-c3cccc(-c4ccc(C5CCNCC5)nc4F)c3C(=O)ON3C(=O)CCC3=O)cc12,GECZDGDGUCVCQP-UHFFFAOYSA-N
-rxn:5:189210:225653:228018,CC1CCCCN1c1ccc(-c2cccc(-c3cc(F)cc(C4CC4)c3)c2C(=O)ON2C(=O)CCC2=O)cn1,DLWHVARHKZNYHR-UHFFFAOYSA-N
-rxn:5:189210:227113:227278,Cc1cc(F)c(C2CC2)cc1-c1cccc(-c2ccc(C3(C#N)CC3)nc2)c1C(=O)ON1C(=O)CCC1=O,BGCJKROSXIXGRU-UHFFFAOYSA-N
-rxn:5:189210:229169:222958,Cc1ccc(-c2cccc(-c3cscc3C(F)F)c2C(=O)ON2C(=O)CCC2=O)cc1C1CCNCC1,PYANEAGEKKQHKO-UHFFFAOYSA-N
-rxn:5:189210:229169:222960,Cc1cc(-c2cccc(-c3cscc3C(F)F)c2C(=O)ON2C(=O)CCC2=O)cc(C2CCNCC2)c1,UDTOKUMCDAEXQY-UHFFFAOYSA-N
-rxn:5:189212:222960:229169,Cc1cc(-c2cc(C(=O)ON3C(=O)CCC3=O)ccc2-c2cscc2C(F)F)cc(C2CCNCC2)c1,XPXRMJADIZQXBF-UHFFFAOYSA-N
-rxn:5:189212:223006:223112,CC(C)c1ccc2[nH]ncc2c1-c1ccc(C(=O)ON2C(=O)CCC2=O)cc1-c1ccc(F)c(C2CCNCC2)c1,RNLFOCHVPCNADI-UHFFFAOYSA-N
-rxn:5:189212:223006:229089,CC(=O)c1sccc1-c1ccc(C(=O)ON2C(=O)CCC2=O)cc1-c1ccc(F)c(C2CCNCC2)c1,ZOEYMWQNWPBFQC-UHFFFAOYSA-N
-rxn:5:189212:223112:223006,CC(C)c1ccc2[nH]ncc2c1-c1cc(C(=O)ON2C(=O)CCC2=O)ccc1-c1ccc(F)c(C2CCNCC2)c1,BGBMNHXULWBKFV-UHFFFAOYSA-N
-rxn:5:189212:223352:223065,CC(C)Nc1ccc(-c2cc(C(=O)ON3C(=O)CCC3=O)ccc2-c2ccc(N3CCNCC3)cc2F)cn1,HRSLDAHKEWPUFV-UHFFFAOYSA-N
-rxn:5:189212:225811:229054,COCc1cc(-c2ccc(C(=O)ON3C(=O)CCC3=O)cc2-c2ccc(C3(C(F)(F)F)CC3)cc2)cs1,QSHQHRYMPBVOQT-UHFFFAOYSA-N
-rxn:5:189212:227278:227419,N#CC1(c2ccc(-c3cc(C(=O)ON4C(=O)CCC4=O)ccc3-c3ccc(C4CCC4)nc3F)cn2)CC1,XBTOOMPRJHZFNS-UHFFFAOYSA-N
-rxn:5:189212:227300:227113,Cc1cc(F)c(C2CC2)cc1-c1ccc(C(=O)ON2C(=O)CCC2=O)cc1-c1cncc(OC2CCC2)c1,QOJWIRJYXJUVDC-UHFFFAOYSA-N
-rxn:5:189212:227419:227278,N#CC1(c2ccc(-c3ccc(C(=O)ON4C(=O)CCC4=O)cc3-c3ccc(C4CCC4)nc3F)cn2)CC1,DMURNVZIXODWPP-UHFFFAOYSA-N
-rxn:5:189212:229015:223007,CC(C)c1sccc1-c1cc(C(=O)ON2C(=O)CCC2=O)ccc1-c1cc(F)cc(C2CCNCC2)c1,DSKWWHNLAOQCSA-UHFFFAOYSA-N
-rxn:5:189212:229089:223006,CC(=O)c1sccc1-c1cc(C(=O)ON2C(=O)CCC2=O)ccc1-c1ccc(F)c(C2CCNCC2)c1,DBQMRJJGZKYXCT-UHFFFAOYSA-N
-rxn:5:189212:229169:222960,Cc1cc(-c2ccc(C(=O)ON3C(=O)CCC3=O)cc2-c2cscc2C(F)F)cc(C2CCNCC2)c1,TWVIAZIGQFUNQJ-UHFFFAOYSA-N
-rxn:5:189448:225806:225871,COC1CN(C(=O)c2ccc(-c3cnc(OC4CCCC4)cc3F)c(-c3cccc(N4C(=O)C=CC4=O)c3)c2)C1,WPLVJZHYHIZKEH-UHFFFAOYSA-N
-rxn:5:189449:227507:223007,COC1CN(C(=O)c2cc(-c3cc(F)cc(C4CCNCC4)c3)ccc2-c2cccc(C=C[N+](=O)[O-])c2)C1,CTNCGYUJPYYRBH-UHFFFAOYSA-N
-rxn:5:189662:227710:222988,Cc1cc(-c2ncc(-c3ccc(OS(C)(=O)=O)cc3)cc2OCC2CCOCC2)cc(C2CCNCC2)n1,LAGHIRVKHXNRGR-UHFFFAOYSA-N
-rxn:5:189662:227710:225605,Cc1cnc(OC2CCCC2)c(-c2ncc(-c3ccc(OS(C)(=O)=O)cc3)cc2OCC2CCOCC2)c1,FSINOSVOTNVOAC-UHFFFAOYSA-N
-rxn:5:189662:227710:225611,COc1cc(N2CCCC2)ccc1-c1ncc(-c2ccc(OS(C)(=O)=O)cc2)cc1OCC1CCOCC1,URWZTIOXUNPGCQ-UHFFFAOYSA-N
-rxn:5:189662:227710:225653,CC1CCCCN1c1ccc(-c2ncc(-c3ccc(OS(C)(=O)=O)cc3)cc2OCC2CCOCC2)cn1,NIQMZEONLLGMDK-UHFFFAOYSA-N
-rxn:5:189662:227710:226425,CC1CCCCN1c1ccc(-c2ncc(-c3ccc(OS(C)(=O)=O)cc3)cc2OCC2CCOCC2)s1,CMAGVYIRHBBFDT-UHFFFAOYSA-N
-rxn:5:189665:222958:227710,Cc1ccc(-c2cnc(OCC3CCOCC3)c(-c3ccc(OS(C)(=O)=O)cc3)c2)cc1C1CCNCC1,OFNZWAMASIEIEA-UHFFFAOYSA-N
-rxn:5:189665:222960:227710,Cc1cc(-c2cnc(OCC3CCOCC3)c(-c3ccc(OS(C)(=O)=O)cc3)c2)cc(C2CCNCC2)c1,RQOLVZIGNFWYTM-UHFFFAOYSA-N
-rxn:5:189665:225448:227710,Cc1ccc(OC2CCCC2)c(-c2cnc(OCC3CCOCC3)c(-c3ccc(OS(C)(=O)=O)cc3)c2)c1,MHNDHEWXYNXAOY-UHFFFAOYSA-N
-rxn:5:189665:225611:227710,COc1cc(N2CCCC2)ccc1-c1cnc(OCC2CCOCC2)c(-c2ccc(OS(C)(=O)=O)cc2)c1,YEAOHDAPMCLIGD-UHFFFAOYSA-N
-rxn:5:189665:225639:227710,CC1CCN(c2ncccc2-c2cnc(OCC3CCOCC3)c(-c3ccc(OS(C)(=O)=O)cc3)c2)CC1,YSUFPPHBSIWGMS-UHFFFAOYSA-N
-rxn:5:189665:225640:227710,CC1CCCCN1c1cc(-c2cnc(OCC3CCOCC3)c(-c3ccc(OS(C)(=O)=O)cc3)c2)ccn1,TZDRDIOMSWQDNH-UHFFFAOYSA-N
-rxn:5:189665:225653:227710,CC1CCCCN1c1ccc(-c2cnc(OCC3CCOCC3)c(-c3ccc(OS(C)(=O)=O)cc3)c2)cn1,BKWDHRSJWBUJGQ-UHFFFAOYSA-N
-rxn:5:189665:225831:227710,Cc1cc(-c2cnc(OCC3CCOCC3)c(-c3ccc(OS(C)(=O)=O)cc3)c2)cnc1N1CCOCC1,PEPNMOFAPUDYRW-UHFFFAOYSA-N
-rxn:5:189665:226424:227710,CC1CCCN(c2csc(-c3cnc(OCC4CCOCC4)c(-c4ccc(OS(C)(=O)=O)cc4)c3)c2)C1,DHDRGHXDAWMULO-UHFFFAOYSA-N
-rxn:5:189665:226429:227710,CC1CCCN(c2ccc(-c3cnc(OCC4CCOCC4)c(-c4ccc(OS(C)(=O)=O)cc4)c3)s2)C1,QHLPWMCOIUKLNM-UHFFFAOYSA-N
-rxn:5:189665:227710:222958,Cc1ccc(-c2cc(-c3ccc(OS(C)(=O)=O)cc3)cnc2OCC2CCOCC2)cc1C1CCNCC1,PUCVSEMLESOYRG-UHFFFAOYSA-N
-rxn:5:189665:227710:222960,Cc1cc(-c2cc(-c3ccc(OS(C)(=O)=O)cc3)cnc2OCC2CCOCC2)cc(C2CCNCC2)c1,DQQRQOCYGSLQLI-UHFFFAOYSA-N
-rxn:5:189665:227710:225605,Cc1cnc(OC2CCCC2)c(-c2cc(-c3ccc(OS(C)(=O)=O)cc3)cnc2OCC2CCOCC2)c1,LOWFUDCJHWHIJD-UHFFFAOYSA-N
-rxn:5:189665:227710:225611,COc1cc(N2CCCC2)ccc1-c1cc(-c2ccc(OS(C)(=O)=O)cc2)cnc1OCC1CCOCC1,KMLAXSVECNBABE-UHFFFAOYSA-N
-rxn:5:189665:227710:225639,CC1CCN(c2ncccc2-c2cc(-c3ccc(OS(C)(=O)=O)cc3)cnc2OCC2CCOCC2)CC1,KATPEGLOCANDHG-UHFFFAOYSA-N
-rxn:5:189665:227710:226425,CC1CCCCN1c1ccc(-c2cc(-c3ccc(OS(C)(=O)=O)cc3)cnc2OCC2CCOCC2)s1,HIYLQKZJZMWKHK-UHFFFAOYSA-N
-rxn:5:189671:226771:226593,COC(=O)c1cc(F)c(F)cc1-c1cccc(-c2c(F)ccc(OC(C)C)c2F)c1/C=N/S(=O)C(C)(C)C,VLAUULVMBBRRPP-ZHSUKTGHSA-N
-rxn:5:189672:225633:226050,CC(C)(C)S(=O)/N=C/c1cccc(-c2ccc(N3CCCCCC3)nc2)c1-c1c(F)cc(OC(F)(F)F)cc1F,XFNSPOQBISTTER-IZYHBKOJSA-N
-rxn:5:189676:226320:223135,N#CC1(c2ccc(F)c(-c3cc(CC(=O)N4CCCC4)ccc3-c3cccnc3C3CCCNC3)c2)CC1,IUSDHTJXMCHOCH-UHFFFAOYSA-N
-rxn:5:189718:222981:223438,O=[N+]([O-])c1cc(-c2cn[nH]c2C(F)(F)F)c(-c2ccnc(NC3CCCCC3)c2)cc1OC1CCOCC1,WGIPYMMWBSEPSN-UHFFFAOYSA-N
-rxn:5:189718:226181:223087,O=[N+]([O-])c1cc(-c2cc(C(F)(F)F)cc3[nH]ncc23)c(-c2ccc(C3=CCCCC3)nc2)cc1OC1CCOCC1,JDLWZSSPRKAYKV-UHFFFAOYSA-N
-rxn:5:189718:228500:227103,O=[N+]([O-])c1cc(-c2sccc2C2CCCCC2)c(-c2cnc(C(F)(F)F)nc2)cc1OC1CCOCC1,QZXOURUEKPDZFN-UHFFFAOYSA-N
-rxn:5:189778:225452:223143,OC1CCN(c2cccc(-c3ccc(-c4ccc(OC5C=CCCC5)cc4)cc3CCN3CCCC3)c2)C1,YVLHMYUPYJEMJT-UHFFFAOYSA-N
-rxn:5:189827:225652:227279,CC1CCCN(c2cncc(-c3cc(CC(=O)N4CCOCC4)ccc3-c3cc(C4CC4)nn3C(C)C)c2)C1,BBNRBRSLVQTQKQ-UHFFFAOYSA-N
-rxn:5:189827:226323:227344,CC(C)Oc1ccc(-c2ccc(CC(=O)N3CCOCC3)cc2-c2ccc(OC3CCCC3)nc2)cc1F,KKTZINWDJIWEDP-UHFFFAOYSA-N
-rxn:5:189908:227710:225605,Cc1cnc(OC2CCCC2)c(-c2ncc(-c3ccc(OS(C)(=O)=O)cc3)cc2OCC2CCCCC2)c1,RKAYBLXVFLAACD-UHFFFAOYSA-N
-rxn:5:189908:227710:225831,Cc1cc(-c2ncc(-c3ccc(OS(C)(=O)=O)cc3)cc2OCC2CCCCC2)cnc1N1CCOCC1,YTZWENOAEZIQBR-UHFFFAOYSA-N
-rxn:5:189908:227710:226652,Cc1cc(-c2ncc(-c3ccc(OS(C)(=O)=O)cc3)cc2OCC2CCCCC2)n(C2CCCCO2)n1,DMOUZTAVSJNCBU-UHFFFAOYSA-N
-rxn:5:189909:225976:225980,Fc1cnc(N2CCOCC2)cc1-c1ccc(-c2ccnc(N3CCOCC3)c2F)c(CCN2CCOCC2)c1,DSOMGNONMPLCIN-UHFFFAOYSA-N
-rxn:5:189909:225980:226794,Fc1cnc(N2CCOCC2)cc1-c1ccc(-c2cnc(N3CCSCC3)nc2)cc1CCN1CCOCC1,GLPRZFLOZVEDOF-UHFFFAOYSA-N
-rxn:5:189909:225982:225784,Fc1cc(N2CCOCC2)ncc1-c1ccc(-c2ccc(CN3CCOCC3)nc2)cc1CCN1CCOCC1,FPZYQROWSAZQAH-UHFFFAOYSA-N
-rxn:5:189909:226794:226664,Fc1cnc(N2CCCC2)cc1-c1ccc(-c2cnc(N3CCSCC3)nc2)c(CCN2CCOCC2)c1,QGOPFSWEWVIPME-UHFFFAOYSA-N
-rxn:5:189952:222990:228417,COc1c(-c2ccc(N3CCC(O)CC3)cc2)cc(C(=O)N2CCOCC2)cc1-c1ccc(F)c(C(F)F)c1,KJWNEZFISJVHTM-UHFFFAOYSA-N
-rxn:5:189952:223064:227379,COc1c(-c2ccc(C3CCNCC3)nc2F)cc(C(=O)N2CCOCC2)cc1-c1cccnc1N1CCCC1,IBOLFNGKNXXWCY-UHFFFAOYSA-N
-rxn:5:189952:225784:227316,COc1c(-c2ccc(CN3CCOCC3)nc2)cc(C(=O)N2CCOCC2)cc1-c1cc(F)nc(CC(C)C)c1,GRJXCXCURWMINC-UHFFFAOYSA-N
-rxn:5:189952:225980:223064,COc1c(-c2cc(N3CCOCC3)ncc2F)cc(C(=O)N2CCOCC2)cc1-c1ccc(C2CCNCC2)nc1F,CYPXBROAWAQJLI-UHFFFAOYSA-N
-rxn:5:189952:226036:227996,COc1c(F)cc(C(F)(F)F)cc1-c1cc(C(=O)N2CCOCC2)cc(-c2ccc(C(C)=O)cc2C)c1OC,IEZBDCJQWRAEDR-UHFFFAOYSA-N
-rxn:5:189952:226366:226679,COc1c(-c2ccnc(N3CCCCC3)c2)cc(C(=O)N2CCOCC2)cc1-c1cnc(N2CCCC2)cc1F,UZWWLCZNYYIJFX-UHFFFAOYSA-N
-rxn:5:190001:226754:225655,CCOc1c(F)cc(F)c(-c2cc(CC(=O)N3CCCCC3)ccc2-c2cncc(N3CCC(C)CC3)c2)c1F,APYOQJSHTURUOA-UHFFFAOYSA-N
-rxn:5:190128:227541:227625,CCOc1cc(F)c(-c2ccc(C(=O)N3CCC(OC)CC3)cc2-c2cnc(C3CCCO3)nc2)cc1F,XEXZSTZMZPMMJO-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:5:190132:225607:226736,COC1CCN(C(=O)c2ccc(-c3ccc(C(C)N4CCCCC4)s3)cc2-c2ccc(C(F)(F)F)cc2C#N)CC1,PBKUWXARENROBK-UHFFFAOYSA-N
-rxn:5:190194:225602:227935,CCc1cc(-c2c(CN3CCC(OC)CC3)cccc2-c2cc(C3(C#N)CCC3)ccc2F)ccc1OC,JMGWMROMHJAAJX-UHFFFAOYSA-N
-rxn:5:190194:226685:227710,COC1CCN(Cc2cccc(-c3cnc(C4CCOCC4)nc3)c2-c2ccc(OS(C)(=O)=O)cc2)CC1,KRQVZWNGRQLTFQ-UHFFFAOYSA-N
-rxn:5:190194:226870:226759,COc1cc(-c2c(CN3CCC(OC)CC3)cccc2-c2ccc(F)c(OC(F)(F)F)c2)cc(C(F)(F)F)c1,LRICYJLTSGUQKH-UHFFFAOYSA-N
-rxn:5:190194:227505:225639,COC1CCN(Cc2cccc(-c3ccc(/C=C/[N+](=O)[O-])cc3)c2-c2cccnc2N2CCC(C)CC2)CC1,DXWPREDOAIUKDY-HYARGMPZSA-N
-rxn:5:190194:227505:226182,COC1CCN(Cc2cccc(-c3ccc(/C=C/[N+](=O)[O-])cc3)c2-c2cccnc2C2CCCCC2)CC1,VSIIRSZBHFNJCE-CJLVFECKSA-N
-rxn:5:190194:227506:225639,COC1CCN(Cc2cccc(-c3cccc(/C=C/[N+](=O)[O-])c3)c2-c2cccnc2N2CCC(C)CC2)CC1,NDEGBOARQQBQLL-FYJGNVAPSA-N
-rxn:5:190194:227507:225639,COC1CCN(Cc2cccc(-c3cccc(C=C[N+](=O)[O-])c3)c2-c2cccnc2N2CCC(C)CC2)CC1,NDEGBOARQQBQLL-UHFFFAOYSA-N
-rxn:5:190194:227710:226685,COC1CCN(Cc2cccc(-c3ccc(OS(C)(=O)=O)cc3)c2-c2cnc(C3CCOCC3)nc2)CC1,BCRBGPPSXCRMNO-UHFFFAOYSA-N
-rxn:5:190195:222982:226772,COC(=O)c1cc(F)c(-c2cc(CN(C)C3CCOCC3)ccc2-c2ccc(CN3CC[C@@H](O)C3)cc2)c(F)c1,JELMRJPKHJURPN-AREMUKBSSA-N
-rxn:5:190195:223061:223113,CN(Cc1ccc(-c2cc(C3CCNCC3)ncc2F)c(-c2ccc3c(c2)C(C)(C)C(=O)N3)c1)C1CCOCC1,YZZMRLIMWUHFJC-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:5:190196:223061:223113,CN(Cc1ccc(-c2cc(C3CCNCC3)ncc2F)cc1-c1ccc2c(c1)C(C)(C)C(=O)N2)C1CCOCC1,LHNBRYINBJYWHF-UHFFFAOYSA-N
-rxn:5:190196:227530:223058,COC(=O)c1ccc(F)c(-c2ccc(CN(C)C3CCOCC3)c(-c3cc(F)nc(C4CCCNC4)c3)c2)c1,YBCUXXIIVKAYKK-UHFFFAOYSA-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:5:190198:223135:227710,CN(Cc1c(-c2ccc(OS(C)(=O)=O)cc2)cccc1-c1cccnc1C1CCCNC1)C1CCOCC1,OXVPAPNUYKABBI-UHFFFAOYSA-N
-rxn:5:190199:223061:222417,CC(C)c1[nH]c(=O)ncc1-c1ccc(-c2cc(C3CCNCC3)ncc2F)c(CN(C)C2CCOCC2)c1,JOBKRFLNSLCUSJ-UHFFFAOYSA-N
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-rxn:5:193872:226130:225641,CC1CCCN(c2cc(-c3cc(C(=O)N4CCC5(CC4)CC5)ccc3-c3ccc(CN4CCCC4)cc3)ccn2)C1,HFKLBSFULWYXGK-UHFFFAOYSA-N
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-rxn:5:193912:222958:228234,Cc1ccc(-c2ccc(N3C(=O)CS(=O)C(c4ccc(-c5c(C6CC6)ccnc5F)cc4)C3=O)cc2)cc1C1CCNCC1,LVFGMZHZRSLUPA-UHFFFAOYSA-N
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-rxn:5:193912:227285:223065,N#Cc1cnc(C2CC2)c(-c2ccc(N3C(=O)CS(=O)C(c4ccc(-c5ccc(N6CCNCC6)cc5F)cc4)C3=O)cc2)c1,UHGZOUWGCYIMFV-UHFFFAOYSA-N
-rxn:5:193912:227969:222996,Cc1nccc(-c2ccc(N3C(=O)CS(=O)C(c4ccc(-c5ccc(F)cc5C5CCCNC5)cc4)C3=O)cc2)c1C1CC1,NDTQRCDYUFLLKX-UHFFFAOYSA-N
-rxn:5:193932:227036:226883,CC1CC(C)CN(C(=O)c2ccc(-c3c(F)ccc(C(F)(F)F)c3F)c(-c3cc(C4CC4)ccc3C#N)c2)C1,YVKQZPLOOOUPFR-UHFFFAOYSA-N
-rxn:5:193967:223204:226583,N#Cc1ccc2[nH]c(-c3ccc(CN4CCC5(CC4)OCCO5)c(-c4ccc(CN5CCOCC5)s4)c3)cc2c1,VMAQKWYBZSSMNQ-UHFFFAOYSA-N
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-rxn:5:194058:225600:223054,CC(c1ccc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2cccnc2OC2CCCCC2)s1)N1CCC(O)C1,KRKQAFCCQYDRLQ-UHFFFAOYSA-M
-rxn:5:194058:225613:223054,CC(c1ccc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2ccnc(OC3CCCCC3)c2)s1)N1CCC(O)C1,PKQUOQRVXPPQPD-UHFFFAOYSA-M
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-rxn:5:194058:225799:223054,CC(c1ccc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2cncc(OC3CCOCC3)c2)s1)N1CCC(O)C1,NJSLHEGKPSKJPV-UHFFFAOYSA-M
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-rxn:5:194058:226571:225805,CC(c1ccc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2cnn(CC3CCOCC3)c2)s1)N1CCOCC1,BQLUFVSZJYTFHT-UHFFFAOYSA-M
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-rxn:5:194398:223004:227505,O=C(c1ccc(-c2ccc(C3CCNCC3)c(F)c2)cc1-c1ccc(/C=C/[N+](=O)[O-])cc1)N1CC2CC2C1,IVRAAKOALPLBHA-SDNWHVSQSA-N
-rxn:5:194398:223062:227501,O=C(c1ccc(-c2cnc(C3CCNCC3)cc2F)cc1-c1ccc(C=C[N+](=O)[O-])cc1)N1CC2CC2C1,LYCLNMQLDPRQDY-UHFFFAOYSA-N
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-rxn:5:194399:223064:227507,O=C(c1ccc(-c2ccc(C3CCNCC3)nc2F)c(-c2cccc(C=C[N+](=O)[O-])c2)c1)N1CC2CC2C1,ROOKSJOUJHVBTR-UHFFFAOYSA-N
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-rxn:5:194733:225808:228321,COC(=O)c1cncc(-c2ccc(-c3cc(OC4CCCC4)ncc3F)cc2C(=O)N2C3CCC2CC(=C2CC2)C3)c1,YGCRQOGMNXOICL-UHFFFAOYSA-N
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-rxn:5:194767:223061:227379,O=C1OC2(CCCN(C(=O)c3cc(-c4cc(C5CCNCC5)ncc4F)ccc3-c3cccnc3N3CCCC3)C2)c2ccccc21,VFXNVEBDMRVFKV-UHFFFAOYSA-N
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-rxn:5:194767:227346:227426,CCCc1cc(F)c(-c2ccc(-c3ccc(C4CCCO4)nc3)c(C(=O)N3CCCC4(C3)OC(=O)c3ccccc34)c2)c(F)c1,AIUHBVCNACYVDD-UHFFFAOYSA-N
-rxn:5:194791:225577:225675,N#Cc1cc(N2CCCC2)ccc1-c1ccccc1N1C(=O)C2C(c3ccc(-c4cccc(-c5cccc(F)n5)c4)cc3)OC3(C(=O)c4ccccc4C3=O)C2C1=O,YMJCKUSAAOZKBJ-UHFFFAOYSA-N
-rxn:5:194791:228108:228790,CCc1ncc(C#N)cc1-c1ccccc1N1C(=O)C2C(c3ccc(-c4cccc(C(F)F)c4)cc3)OC3(C(=O)c4ccccc4C3=O)C2C1=O,SUECYRLZCBTKRA-UHFFFAOYSA-N
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-rxn:5:196198:223007:226576,CN(C)C(=O)c1cc(-c2cc(N3C(=O)C=CC3=O)ccc2-c2cc(F)cc(C3CCNCC3)c2)ccc1F,MGJOALJFESQMKJ-UHFFFAOYSA-N
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-rxn:5:196198:226580:223006,CN(C)C(=O)c1ccc(F)c(-c2ccc(N3C(=O)C=CC3=O)cc2-c2ccc(F)c(C3CCNCC3)c2)c1,QMGPTJVHXRKCFM-UHFFFAOYSA-N
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-rxn:5:196533:225928:223064,Cc1ccc(-c2ccc(N3C(=O)CC(c4ccc(C5CCNCC5)nc4F)C3=O)cc2)cc1S(=O)(=O)N(C)C,GMOLDQMCUIXNDU-UHFFFAOYSA-N
-rxn:5:196789:225976:226583,O=C1COCCN1c1ccc(-c2ccnc(N3CCOCC3)c2F)cc1-c1ccc(CN2CCOCC2)s1,NGCMOBGNYWXEJV-UHFFFAOYSA-N
-rxn:5:196791:225834:226794,O=C1COCCN1c1cccc(-c2cc(N3CCCCC3)ncc2F)c1-c1cnc(N2CCSCC2)nc1,MQLYUESCEDJNPD-UHFFFAOYSA-N
-rxn:5:196794:223141:225834,O=C1COCCN1c1cc(-c2cncc(C3CCNCC3)c2)ccc1-c1cc(N2CCCCC2)ncc1F,BXAMYVSBFSGSHN-UHFFFAOYSA-N
-rxn:5:196794:225849:225849,O=C1COCCN1c1cc(-c2cnc(N3CCCCC3)cc2F)ccc1-c1cnc(N2CCCCC2)cc1F,QRHSXOOPYDGDGI-UHFFFAOYSA-N
-rxn:5:196858:225449:225824,FC(F)(F)c1cc(-c2cc(C3CCOCC3)ncc2-c2cccc(OC3CCCCC3)c2)cc(C2CC2)c1,ZWBQPPQUSPQWLA-UHFFFAOYSA-N
-rxn:5:196859:226898:223062,Cc1nn(S(=O)(=O)N(C)C)cc1-c1c(C2CCOCC2)ccnc1-c1cnc(C2CCNCC2)cc1F,OGWVALZFZZYNNV-UHFFFAOYSA-N
-rxn:5:196873:225655:225655,CC1CCN(c2cncc(-c3ccc(N4CCOCC4)cc3-c3cncc(N4CCC(C)CC4)c3)c2)CC1,SCJOKTKMMYMWCA-UHFFFAOYSA-N
-rxn:5:196919:227804:226837,Cc1nn(CC(F)(F)F)c(C)c1-c1cc(-c2cc([N+](=O)[O-])sc2[N+](=O)[O-])ccc1C1=NC(C)(C)CO1,PQHIFYBRIBZOMG-UHFFFAOYSA-N
-rxn:5:196969:225832:223148,Cc1nn(C2CCCCO2)c(C)c1-c1cnc(C2CCCCC2)cc1-c1ccccc1C1CNCCO1,XHTVOTOUNHJERM-UHFFFAOYSA-N
-rxn:5:197876:223191:227409,CNS(=O)(=O)c1ccc(-c2cc3c(cc2-c2cc(C(C)(C)C)ncc2F)C(=O)N(C(C)(C)C)S3(=O)=O)cc1F,HWAOUKQJKXGXQB-UHFFFAOYSA-N
-rxn:5:197876:223231:227673,CNC(=O)c1ccc(-c2cc3c(cc2-c2cccc(C(C)(F)F)c2F)C(=O)N(C(C)(C)C)S3(=O)=O)cc1C,CRAFWKWQMPFKMH-UHFFFAOYSA-N
-rxn:5:197876:223252:226589,CC(C)c1cnc(C(F)F)cc1-c1cc2c(cc1-c1cc(F)c3c(c1)NCCO3)S(=O)(=O)N(C(C)(C)C)C2=O,AAHQSARRDFOPMT-UHFFFAOYSA-N
-rxn:5:197876:223287:226589,CNS(=O)(=O)c1ccc(-c2cc3c(cc2-c2cc(C(F)F)ncc2C(C)C)C(=O)N(C(C)(C)C)S3(=O)=O)cc1,GENWGYUYJFVEGO-UHFFFAOYSA-N
-rxn:5:197876:225498:226328,CC(C)(C#N)c1ccc(-c2cc3c(cc2-c2cc(C4CCCCC4)ccc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1F,ZEQIZYGMKOAXRF-UHFFFAOYSA-N
-rxn:5:197876:225499:227309,CCC(C)c1cc(-c2cc3c(cc2-c2ccc(C4CCCCC4)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc(F)n1,PAWYURUGIDTXKW-UHFFFAOYSA-N
-rxn:5:197876:225499:227966,CC(C)(C)c1ncccc1-c1cc2c(cc1-c1ccc(C3CCCCC3)cc1F)S(=O)(=O)N(C(C)(C)C)C2=O,AXAVUPHTTKNTFD-UHFFFAOYSA-N
-rxn:5:197876:225499:228263,CC(F)(F)c1ccc(-c2cc3c(cc2-c2ccc(C4CCCCC4)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1,NSNCYTKBUAERHL-UHFFFAOYSA-N
-rxn:5:197876:225591:227815,CCC(C)c1ccccc1-c1cc2c(cc1-c1cc(CN3CCCC3)ccc1F)S(=O)(=O)N(C(C)(C)C)C2=O,IXLZNYMDBOPLHS-UHFFFAOYSA-N
-rxn:5:197876:225601:226907,CC(C)(C)N1C(=O)c2cc(-c3cccc4c3CCC43CC3)c(-c3ccc(C4(C#N)CCC4)cc3F)cc2S1(=O)=O,QOOFOLVZUYYKTD-UHFFFAOYSA-N
-rxn:5:197876:225601:228190,Cc1cc(N(C)C)ncc1-c1cc2c(cc1-c1ccc(C3(C#N)CCC3)cc1F)S(=O)(=O)N(C(C)(C)C)C2=O,OJACRJFAKIGUCC-UHFFFAOYSA-N
-rxn:5:197876:225601:229083,CC(C)c1ncc(-c2cc3c(cc2-c2ccc(C4(C#N)CCC4)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)o1,SSMUCOUFYYBCEA-UHFFFAOYSA-N
-rxn:5:197876:225601:229166,CC(=O)n1cc(-c2cc3c(cc2-c2ccc(C4(C#N)CCC4)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cn1,AVSHPCBNANIJLK-UHFFFAOYSA-N
-rxn:5:197876:225602:229015,CC(C)c1sccc1-c1cc2c(cc1-c1cc(C3(C#N)CCC3)ccc1F)S(=O)(=O)N(C(C)(C)C)C2=O,KTJZYOQUUGTWNS-UHFFFAOYSA-N
-rxn:5:197876:225671:228800,CSc1ccc(F)cc1-c1cc2c(cc1-c1cc(C3CCCCC3)ncc1F)S(=O)(=O)N(C(C)(C)C)C2=O,ZYMHNXSXHDOBRD-UHFFFAOYSA-N
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-rxn:5:197876:225679:226059,CC(C)c1ccc(-c2cc3c(cc2-c2ccc(N4CCCCC4)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c(C(C)C)c1,MTLPADXKJAPEDS-UHFFFAOYSA-N
-rxn:5:197876:225679:227838,Cc1ccc(C2CC2)c(-c2cc3c(cc2-c2ccc(N4CCCCC4)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,PCCYMXMGINAPTR-UHFFFAOYSA-N
-rxn:5:197876:225814:227830,CC1(c2ccc(-c3cc4c(cc3-c3cccc(C5(C(F)(F)F)CC5)c3)S(=O)(=O)N(C(C)(C)C)C4=O)cc2)CC1,WZKKZWZPDGRQAV-UHFFFAOYSA-N
-rxn:5:197876:225816:227970,CC(C)(C)c1cnccc1-c1cc2c(cc1-c1cc(C3CC3)ccc1C(F)(F)F)S(=O)(=O)N(C(C)(C)C)C2=O,WFFROQUOSVYKDA-UHFFFAOYSA-N
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-rxn:5:197876:226741:227971,CC(C)(C)c1ccncc1-c1cc2c(cc1-c1cc(C(F)(F)F)ccc1C#N)S(=O)(=O)N(C(C)(C)C)C2=O,VPWHQZZZHZJCPL-UHFFFAOYSA-N
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-rxn:5:197876:226762:227900,CSc1cc(-c2cc3c(cc2-c2ccccc2C(C)C#N)C(=O)N(C(C)(C)C)S3(=O)=O)cc(C(F)(F)F)c1,QUYBSWVMJUJPAR-UHFFFAOYSA-N
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-rxn:5:197876:226863:227826,CC(C)(C)c1cccc(-c2cc3c(cc2-c2ccc(OC(F)(F)F)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,KXGRKMPRUIQSKX-UHFFFAOYSA-N
-rxn:5:197876:226883:227402,CC(C)(C)c1cc(-c2cc3c(cc2-c2c(F)ccc(C(F)(F)F)c2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc(F)n1,SVNYRFZABXSXOW-UHFFFAOYSA-N
-rxn:5:197876:226891:226155,CC(=O)c1cc(-c2cc3c(cc2-c2cc(C(F)(F)F)cc(F)c2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc(C2CC2)c1,DFDVOZCDPGUION-UHFFFAOYSA-N
-rxn:5:197876:226895:228383,Cc1cc(-c2cc3c(cc2-c2cc(F)c(C(F)(F)F)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cnc1C(F)F,ZMCACRXIZJXQHP-UHFFFAOYSA-N
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-rxn:5:197876:226973:226593,CC(C)Oc1ccc(F)c(-c2cc3c(cc2-c2ccc4c(c2)C(C)(C)CO4)S(=O)(=O)N(C(C)(C)C)C3=O)c1F,GGJYQWSJCJPQFQ-UHFFFAOYSA-N
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-rxn:5:197876:227076:227309,CCC(C)c1ccc(F)c(-c2cc3c(cc2-c2cc(F)nc(C(C)CC)c2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,TWMBZAPQBURVFJ-UHFFFAOYSA-N
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-rxn:5:197876:227087:227680,Cc1cnc(C(C)(C)C)c(-c2cc3c(cc2-c2cccc4c2OC(F)(F)O4)C(=O)N(C(C)(C)C)S3(=O)=O)c1,HZHFRIBQDAFPKA-UHFFFAOYSA-N
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-rxn:5:197876:227102:227542,COC(=O)c1cc(F)ccc1-c1cc2c(cc1-c1cc(C(C)(C)C)ccc1F)S(=O)(=O)N(C(C)(C)C)C2=O,IFYLXCQNXUWMOY-UHFFFAOYSA-N
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-rxn:5:197876:227823:226437,CC(C)(C)c1ccccc1-c1cc2c(cc1-c1cc(C3CCCC3)ncc1F)C(=O)N(C(C)(C)C)S2(=O)=O,VRPLJIFFDRVICI-UHFFFAOYSA-N
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-rxn:5:197876:227832:226189,Cc1cc(C2CC2)ccc1-c1cc2c(cc1-c1ccc(C3CCCC3)c(F)c1)C(=O)N(C(C)(C)C)S2(=O)=O,GFUQJTDEJQUUJZ-UHFFFAOYSA-N
-rxn:5:197876:227837:226826,Cc1cc(-c2cc3c(cc2-c2cc(C)cc(C(F)(F)F)c2F)C(=O)N(C(C)(C)C)S3(=O)=O)cc(C2CC2)c1,KWCYHRZGAHWIGC-UHFFFAOYSA-N
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-rxn:5:197876:228003:226749,COc1cccc(C(F)(F)F)c1-c1cc2c(cc1-c1c(C)cc(SC)cc1C)S(=O)(=O)N(C(C)(C)C)C2=O,UMRNCPAZXBPLGI-UHFFFAOYSA-N
-rxn:5:197876:228130:226059,CC(C)c1ccc(-c2cc3c(cc2-c2ccc(CC#N)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c(C(C)C)c1,GQEUHYPDNRGEEG-UHFFFAOYSA-N
-rxn:5:197876:228227:226062,CC(C)c1cc(-c2cc3c(cc2-c2ccc(C(C)C)nc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc(C(C)C)c1,HBHXHQFCPSVNQX-UHFFFAOYSA-N
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-rxn:5:197876:228260:226150,CC(F)(F)c1cccc(-c2cc3c(cc2-c2cccc(SC4CCCC4)c2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,AOJDXDLCYUAVQB-UHFFFAOYSA-N
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-rxn:5:197876:228274:226064,CSc1cc(-c2cc3c(cc2-c2ccc(C4CCCCC4)cc2)C(=O)N(C(C)(C)C)S3(=O)=O)c(F)cc1C,NUXRMMYHOPXTMY-UHFFFAOYSA-N
-rxn:5:197876:228282:226746,CCc1cnc(C(F)(F)F)cc1-c1cc2c(cc1-c1ccccc1C(C)(F)F)S(=O)(=O)N(C(C)(C)C)C2=O,UVBCILFBUSRBOE-UHFFFAOYSA-N
-rxn:5:197876:228283:225817,CC(=O)c1cc(F)ccc1-c1cc2c(cc1-c1ccc(C(F)(F)F)c(C3CC3)c1)C(=O)N(C(C)(C)C)S2(=O)=O,XRSKWQOTLGGDDS-UHFFFAOYSA-N
-rxn:5:197876:228388:227103,Cc1cnc(C(F)F)cc1-c1cc2c(cc1-c1sccc1C1CCCCC1)C(=O)N(C(C)(C)C)S2(=O)=O,UNNPPBLISMTOIQ-UHFFFAOYSA-N
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-rxn:5:197876:228447:225640,CC1CCCCN1c1cc(-c2cc3c(cc2-c2cccc(C(F)F)c2F)S(=O)(=O)N(C(C)(C)C)C3=O)ccn1,AJMBNUPJZNKPLD-UHFFFAOYSA-N
-rxn:5:197876:228490:226068,Cc1cc(C(C)(C)C)cc(C)c1-c1cc2c(cc1-c1cccc(S(=O)(=O)F)c1)S(=O)(=O)N(C(C)(C)C)C2=O,JTOXOQOYFCDPAX-UHFFFAOYSA-N
-rxn:5:197876:228502:227023,CC(c1ccc(-c2cc3c(cc2-c2nn(C)cc2C(F)(F)F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1)N(C)C,SDTVAKWYTXYGAX-UHFFFAOYSA-N
-rxn:5:197876:228509:226031,CC(C)c1ccc(-c2cc3c(cc2-c2ccc(C(F)(F)F)cc2C(F)F)C(=O)N(C(C)(C)C)S3(=O)=O)cc1,QJJTWVKTYLLHRF-UHFFFAOYSA-N
-rxn:5:197876:228558:225946,CCSc1cccc(-c2cc3c(cc2-c2cc(C(C)=O)cc(C(F)(F)F)c2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,WLCLERAXOYXZOF-UHFFFAOYSA-N
-rxn:5:197876:228582:225451,CC(C)c1ccncc1-c1cc2c(cc1-c1ccc(SC3CCCCC3)cc1)C(=O)N(C(C)(C)C)S2(=O)=O,QMQMGUWMOCCWTQ-UHFFFAOYSA-N
-rxn:5:197876:228595:226031,CCc1ncc(C)cc1-c1cc2c(cc1-c1ccc(C(F)(F)F)cc1C(F)F)C(=O)N(C(C)(C)C)S2(=O)=O,HVNZSZUWHHEKTN-UHFFFAOYSA-N
-rxn:5:197876:228615:225602,CSc1ccc(C)cc1-c1cc2c(cc1-c1cc(C3(C#N)CCC3)ccc1F)C(=O)N(C(C)(C)C)S2(=O)=O,CEPQLILJHOQKOA-UHFFFAOYSA-N
-rxn:5:197876:228713:226768,CSc1ccc(-c2cc3c(cc2-c2ccn(C(C)(C)C)n2)S(=O)(=O)N(C(C)(C)C)C3=O)cc1C(F)(F)F,WWLTVKJTPMNADK-UHFFFAOYSA-N
-rxn:5:197876:228939:225936,CC(C)c1ncc(C(F)(F)F)cc1-c1cc2c(cc1-c1c(F)cc(F)cc1F)S(=O)(=O)N(C(C)(C)C)C2=O,XTKVDIPDHNIASI-UHFFFAOYSA-N
-rxn:5:197876:229089:225823,CC(=O)c1sccc1-c1cc2c(cc1-c1cc(C(C)C)cc(C(F)(F)F)c1)C(=O)N(C(C)(C)C)S2(=O)=O,AHJYPGSETIVRLF-UHFFFAOYSA-N
-rxn:5:198559:225456:225832,Cc1nn(C2CCCCO2)c(C)c1C1=NS(=O)(=O)c2ccc(-c3ccc(C4CCN(C)CC4)cc3)cc21,OEBHJCKMOSOWJJ-UHFFFAOYSA-N
-rxn:5:227940:178295:226605,CCc1cc(SC)cc(-c2ccc(-c3cc(F)c(OC(C)C)cc3F)cc2C2(C(=O)OC)CCC(=O)CC2)c1,GMKHULPHHMCCTH-UHFFFAOYSA-N
-rxn:4:173308:222584,COC(=O)c1ccc(-c2ccc(OCCCN3CCNCC3)c(F)c2)c(OCCC(F)(F)F)c1,KQAWTRGZBXIRQC-UHFFFAOYSA-N
-rxn:4:173337:224252,COCCOc1cc(-c2ccc(C(=O)N3CCCC(C)C3)c(F)c2)c(C(=O)OC)cc1F,HBDUUTABIQMEIK-UHFFFAOYSA-N
-rxn:4:173338:222783,COC(=O)C(C(=O)OC)C(=O)c1ccc(-c2ccc(Cl)c(NC(=O)OC(C)(C)C)c2)cc1,JSYHGWLAZQIZHO-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:4:173502:223179,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:4:173545:223179,CONC(=O)c1cc(-c2ccc(CO[Si](C)(C)C(C)(C)C)c(OC(F)(F)F)c2)ccc1F,UZZABGHMAGDMKS-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:4:173573:223179,CONC(=O)c1cc(-c2ccccc2C(=O)CCCCC2OCC(C)(C)CO2)ccc1F,UARUTCLPCNWIOL-UHFFFAOYSA-N
-rxn:4:173576:223279,CC1(C)COC(CCCCC(=O)c2ccc(Cl)c(-c3cnc(C4CCCN4)nc3)c2)OC1,YQAAMZWRESNFNK-UHFFFAOYSA-N
-rxn:4:173578:223671,CCOc1ccccc1-c1cc(C(=O)OC(C)(C)C)cc(-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)c1,UYDLNQZLIDZUBD-UHFFFAOYSA-N
-rxn:4:173585:225173,O=C(COC(=O)c1ccccc1-c1ccc(C(=O)N2CCCC2)cc1F)c1ccc(C2CCCCC2)cc1,JURISWCLYOHVJA-UHFFFAOYSA-N
-rxn:4:173596:222825,COc1ccc(OC)c(-c2c(C(C)C)cc(C(C)C)cc2C(C)C)c1-c1cc(Cl)ccc1S(=O)(=O)NC(C)(C)C,FQOCUUFSIUVZLW-UHFFFAOYSA-N
-rxn:4:173675:223189,Cc1oc2cc(-c3ccc(NS(C)(=O)=O)cc3F)c(OC(=O)C(C)(C)C)cc2c1C(=O)OC(C)C,GGFXTDIHASMNFA-UHFFFAOYSA-N
-rxn:4:173680:223279,CCOC(=O)c1c(C)oc2cc(-c3cnc(C4CCCN4)nc3)c(OC(=O)C3CCCCC3)cc12,NLJBEBVWIBBFDT-UHFFFAOYSA-N
-rxn:4:173704:222945,COc1cccc2c(-c3ccc(S(=O)(=O)NC(C)C)c(F)c3)ccc(O[Si](C(C)C)(C(C)C)C(C)C)c12,VFRHTISCOJYXLO-UHFFFAOYSA-N
-rxn:4:173704:223818,COc1cccc2c(-c3c(F)cc(F)c4c3ccn4C(=O)OC(C)(C)C)ccc(O[Si](C(C)C)(C(C)C)C(C)C)c12,WLSXQYAGBMTPHV-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:4:173723:222798,Cc1cc(S(=O)(=O)NC(C)(C)C)ccc1-c1ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc1,KCSIIVTYOYUAHG-UHFFFAOYSA-N
-rxn:4:173723:222799,Cc1cc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)ccc1S(=O)(=O)NC(C)(C)C,SNGHEEXXQWJTTF-UHFFFAOYSA-N
-rxn:4:173723:224407,O=C(COS(=O)(=O)C(F)(F)F)c1ccc(-c2cccc(S(=O)(=O)N3CCC(F)(F)C3)c2)cc1,CMOFRCGOKOMGPV-UHFFFAOYSA-N
-rxn:4:173723:224490,O=C(COS(=O)(=O)C(F)(F)F)c1ccc(-c2ccccc2OCCN2CCCCC2)cc1,XUSNAIXERHBZOT-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:4:173723:224736,CC(C)COc1cc(C(F)(F)F)ccc1-c1ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc1,HVXHFYLLOTVWSZ-UHFFFAOYSA-N
-rxn:4:173723:224742,COc1cc(OC)c(C2OCCO2)cc1-c1ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc1,MLIYEWPBRLXQEN-UHFFFAOYSA-N
-rxn:4:173802:222759,Cc1cc(NC(=O)OC(C)(C)C)cc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)c1,VWJGAWOZFZRMIW-UHFFFAOYSA-N
-rxn:4:173802:225631,CN1CCN(c2ccc(-c3ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc3)cc2)CC1,RYCBZZUZZQFDDZ-UHFFFAOYSA-N
-rxn:4:173802:225995,N#Cc1ccc(OC(F)(F)F)c(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)c1,DDAWHOQCSVCPBF-UHFFFAOYSA-N
-rxn:4:173914:223977,COC(=O)CC(=O)c1ccc(-c2cc(C(F)(F)F)ccc2C(=O)OC(C)(C)C)c(OC)c1,SJQDKUJNEJKSEL-UHFFFAOYSA-N
-rxn:4:174009:224059,COC(=O)C(C(C)=O)C(=O)c1ccc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2OC)cc1,KORGOUJWXXKFHL-UHFFFAOYSA-N
-rxn:4:174015:224826,CCOC(=O)c1cc(-c2ccc(OCC(=O)C3CC3)c(C(F)(F)F)c2)cnc1C(F)(F)F,XFYZTVALRIQJPT-UHFFFAOYSA-N
-rxn:4:174166:222638,COC(=O)c1cc(C(C)C)cc(-c2cccc(C(C)NC(=O)OC(C)(C)C)c2)c1OC(F)F,GUBSIKXXPOFRIZ-UHFFFAOYSA-N
-rxn:4:174375:222636,COC(=O)C(C)(C)c1cc(OC)c(OC)cc1-c1ccc([C@@H](C)NC(=O)OC(C)(C)C)cc1,VMEREIFPWBUEFE-MRXNPFEDSA-N
-rxn:4:174441:223881,Cc1ccc(-c2cc3ccc(C)cc3n2C(=O)OC(C)(C)C)c(OC2(C(=O)OC(C)(C)C)CC2)c1,MSFMRUCNAGEHBZ-UHFFFAOYSA-N
-rxn:4:174481:224716,CN(C(=O)OC(C)(C)C)c1ccc(-c2cc(C(=O)OC(C)(C)C)cc(-c3cccc(C(F)(F)F)c3)c2)cn1,JDWXWCLGOFYBMV-UHFFFAOYSA-N
-rxn:4:174482:223836,COc1ncnc2c1cc(-c1cc(C(=O)OC(C)(C)C)cc(-c3ccc(C(F)(F)F)cc3)c1)n2C(=O)OC(C)(C)C,YJCUWVPZQJLJFG-UHFFFAOYSA-N
-rxn:4:174493:226619,Cc1nc(N2CCCC2)ncc1-c1cc(C(=O)CCCC2OCC(C)(C)CO2)ccc1Cl,MYKDMUKCEVKMQR-UHFFFAOYSA-N
-rxn:4:174499:222648,COc1ccc(-c2cc(C(=O)OC(C)(C)C)cc(-c3cc(NC(=O)OC(C)(C)C)c(C)cc3C)c2)c(F)c1,AEWXIFABQCAWAO-UHFFFAOYSA-N
-rxn:4:174514:222786,CC(C)[Si](Oc1cccc(-c2cc(F)cc(NC(=O)OC(C)(C)C)c2)c1)(C(C)C)C(C)C,UHXXJYNGVYCVRY-UHFFFAOYSA-N
-rxn:4:174518:223935,CC(C)[Si](Oc1ccc(F)c(-c2cc3cccc(F)c3n2C(=O)OC(C)(C)C)c1)(C(C)C)C(C)C,HMCOLEAFVYLRDY-UHFFFAOYSA-N
-rxn:4:174521:224743,CC(C)(C)OC(=O)c1cc(-c2ccc(S(C)(=O)=O)cc2)cc(-c2c(F)cc(C(=O)OC(C)(C)C)cc2F)c1,JREKXGPJFFMXJE-UHFFFAOYSA-N
-rxn:4:174522:223885,CC(C)[Si](C#Cc1ccc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3)cc1)(C(C)C)C(C)C,FSFMPXLBDWXBGI-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:4:174649:223179,CONC(=O)c1cc(-c2ccc(OC)c(C=C3Oc4cc(OC(=O)C(C)(C)C)ccc4C3=O)c2)ccc1F,DXBRHVFZCKHPEW-UHFFFAOYSA-N
-rxn:4:174655:223179,CCCCCOc1cc2c(cc1-c1ccc(F)c(C(=O)NOC)c1)C(C)(C)CCC2(C)C,RIPZHFOMSVMAGJ-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:4:175377:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2ccc(C(C)(OS(C)(=O)=O)C(F)(F)F)cc2)cc1,UOTBQZDJZZQKOS-UHFFFAOYSA-N
-rxn:4:175377:224566,COC(=O)C1(c2ccc(-c3ccc(C(C)(OS(C)(=O)=O)C(F)(F)F)cc3)cc2)CCCC1,XSRGPJCKGCPTCP-UHFFFAOYSA-N
-rxn:4:175511:223559,CCOC(=O)c1ccc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)cc1C(C)C,BMUHJTYPYFLLBZ-UHFFFAOYSA-N
-rxn:4:175868:223568,CC(C)OC(=O)c1cc(-c2cnc3c(ccn3[Si](C(C)C)(C(C)C)C(C)C)c2Cl)cc(C(C)C)c1,XTHXXJGHYYIBCQ-UHFFFAOYSA-N
-rxn:4:176165:223888,Cc1ccc(F)c(-c2cc(C(=O)OC(C)(C)C)cc(-c3ccc4c(c3)N(C(=O)OC(C)(C)C)CCC4)c2)c1,FHAYSAZJUMCNQL-UHFFFAOYSA-N
-rxn:4:176168:222467,CC(C)[Si](c1c(F)cc(-c2ccc(NC(=O)OC(C)(C)C)c3ccccc23)cc1F)(C(C)C)C(C)C,BPEDJSKGODWINT-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:4:176322:224566,CCC1(CC)CC(C)(C)c2c1cc1c(c2-c2ccc(C3(C(=O)OC)CCCC3)cc2)C(C)(C)CC1(CC)CC,NFDYZERCRXWHEA-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:4:177371:223689,CCN1CCN(S(=O)(=O)c2cc(-c3cc(SC(F)(F)F)cc(C(C)C)c3)ccc2OC)CC1,PXGAAHGQLFCGRW-UHFFFAOYSA-N
-rxn:4:178327:224721,COC(=O)C1(c2ccc(-c3c(C)nn(CC(=O)OC(C)(C)C)c3C)cc2)CCCCC1,PTESBERSCICOAR-UHFFFAOYSA-N
-rxn:4:178330:224863,COC(=O)C1(c2ccc(-c3ccccc3CN(C(C)C)C(C)C)cc2)CC2(C1)OCCO2,OCMVGLPQABNZDN-UHFFFAOYSA-N
-rxn:4:178381:222878,CC(C)(C)NC(=O)c1cc(-c2c(C(C)(C)C)cc(C(C)(C)C)cc2C(C)(C)C)ccc1F,FFJUWSWPTZZCSU-UHFFFAOYSA-N
-rxn:4:178381:222909,CC(C)(C)OC(=O)Nc1cc(-c2c(C(C)(C)C)cc(C(C)(C)C)cc2C(C)(C)C)ccn1,OVOQWXRBXHFLEY-UHFFFAOYSA-N
-rxn:4:178384:225384,O=[N+]([O-])c1cc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)ccc1OC(F)(F)F,UVJUYUUPRHBCMP-UHFFFAOYSA-N
-rxn:4:178384:225802,Fc1nc(OC2CCCC2)ccc1-c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1,MVDBDIDHNYLTIQ-UHFFFAOYSA-N
-rxn:4:178384:227676,COc1c(F)c(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)cc(C)c1Cl,IQYDULXEUPWTQB-UHFFFAOYSA-N
-rxn:4:178384:228777,COc1ccc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c(F)c1,UVTYHCRTMAYNAL-UHFFFAOYSA-N
-rxn:4:178384:229114,Cc1cc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c(F)cn1,IONQMTMBVAZQRS-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:4:178597:226436,Cc1cc(-c2ccc(OC(=O)C3OC4OC(C)(C)OC4C4OC(C)(C)OC34)cc2)cc(-c2cscn2)c1,GJJDANZTLWTNOG-UHFFFAOYSA-N
-rxn:4:178874:223559,COC(=O)c1cc(F)c(Cl)cc1-c1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)OC(C)(C)C,DHYBFBGDISZPHU-UHFFFAOYSA-N
-rxn:4:180455:223679,CCN1CCN(S(=O)(=O)c2c(C)cc(-c3ccc(C)c(OC4CCCCC4)c3)cc2C)CC1,JDJKIYCXENWLDU-UHFFFAOYSA-N
-rxn:4:180965:223506,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cccc(-c3cc(F)cc(C(F)F)c3Cl)c2)CC1,QPHFNMDYTHFALO-UHFFFAOYSA-N
-rxn:4:182183:223843,CCN(CC)S(=O)(=O)c1ccc(-c2ccc(C(F)(F)F)c3c2C(=O)CC3)c(C(F)(F)F)c1,UVDZWHROZZEQSX-UHFFFAOYSA-N
-rxn:4:182359:224646,COC1CCC2(CC1)Oc1ccc(-c3ccc(OC4CCOCC4)c(C#N)c3)cc1C2=O,SCJKZQLQIPHOLI-UHFFFAOYSA-N
-rxn:4:182372:223889,CO[C@H]1CC[C@]2(CC1)Cc1ccc(-c3cccc4c3CN(C(=O)OC(C)(C)C)CC4)cc1C2=O,AOYXKNOBVWIVGX-FXBOJIBUSA-N
-rxn:4:182372:224087,CO[C@H]1CC[C@]2(CC1)Cc1ccc(-c3cccc(OCCN4CCCCCC4)c3)cc1C2=O,NPRSTKALMOEUAP-UAHYGDRYSA-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:4:182376:223007,CO[C@H]1[C@H](C)C[C@@]2(Cc3ccc(-c4cc(F)cc(C5CCNCC5)c4)cc3C2=O)C[C@@H]1C,GHOKCYGVYAWOEO-OSELZAKSSA-N
-rxn:4:182376:223952,CO[C@H]1[C@H](C)C[C@@]2(Cc3ccc(-c4ccc(OCCN5CCN(C)CC5)c(Cl)c4)cc3C2=O)C[C@@H]1C,YWKARFFYCSDOOG-CAKCGFARSA-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:4:183269:224017,Cc1cc2c(cc1-c1ccc(N3CCCS3(=O)=O)cc1C(F)(F)F)C(C)(C)C=CC2(C)C,OLXBKWADXWCADW-UHFFFAOYSA-N
-rxn:4:183273:228813,CSc1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)ccc1Cl,YOOLKQJELQCYDK-UHFFFAOYSA-N
-rxn:4:183273:229121,Cc1c(F)cncc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,FVORBYCYKYVYFS-UHFFFAOYSA-N
-rxn:4:183273:229312,Cc1nocc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,GQQGZXALRHSVJF-UHFFFAOYSA-N
-rxn:4:183274:224574,Cc1cnn(-c2ccc(C3CC3)c(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCOCCO4)c2)c1,DRXGULGOPRCNCJ-UHFFFAOYSA-N
-rxn:4:183274:228431,CSc1c(F)cc(F)cc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCOCCO2,NHFNTDABCKMCFB-UHFFFAOYSA-N
-rxn:4:183585:222639,COC(=O)C(C(=O)OC)c1cc(-c2ccc([C@H](C)NC(=O)OC(C)(C)C)cc2)ccc1[N+](=O)[O-],PYAZICFVNLFMTJ-AWEZNQCLSA-N
-rxn:4:183610:224805,CCOC(=O)c1cc(-c2cc(OC(F)(F)F)ccc2OCC(=O)N2CCC2)cc(C(F)(F)F)c1,DCPZAVIIGFNSTR-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:4:183668:222940,CC(C)(C)NS(=O)(=O)c1cncc(-c2ccc(C(=O)C(C#N)C(=O)OC(C)(C)C)cc2)c1,QINMRUJABKYXHK-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:4:183668:223823,CC(C)(C)OC(=O)C(C#N)C(=O)c1ccc(-c2cnn(C3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1,NQUGMCLKGSJICA-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:4:183732:226844,O=C(c1cc(-c2cc(OC(F)(F)F)ccc2OCCN2CCC(F)(F)C2)ccn1)C(F)(F)F,UVKGLQBNKYUPNY-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:4:183772:223279,O=C(COc1cc(OC(F)(F)F)ccc1-c1cnc(C2CCCN2)nc1)N1CCCC(F)(F)C1,PRHZGRWLCNFNFB-UHFFFAOYSA-N
-rxn:4:183803:223179,CONC(=O)c1cc(-c2ccc(OC(F)(F)F)cc2OCCN2CCCCC2)ccc1F,QXTZFXMDVXJGSX-UHFFFAOYSA-N
-rxn:4:183819:224420,CCN(C(=O)OC(C)(C)C)c1cc(OC)cc(-c2cc3c(cc2C)C(C)(C)CCC3(C)C)c1,CZCRGJONYZJACO-UHFFFAOYSA-N
-rxn:4:183832:223079,CC(C)NS(=O)(=O)c1cccc(-c2c(F)cccc2CN(C(=O)OC(C)(C)C)C2CC2)c1,COMHIELJYCUCSV-UHFFFAOYSA-N
-rxn:4:183836:225379,CCN(C(=O)COc1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1)C1CCS(=O)(=O)C1,JGDURGDZGZZEOA-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:4:183875:223179,CONC(=O)c1cc(-c2ccc(OCC3CN(C(=O)OC(C)(C)C)C3)c(Cl)c2)ccc1F,RJFPMBIIMIIULG-UHFFFAOYSA-N
-rxn:4:183894:225728,CCCCOc1ccc(-c2cccc(F)c2OCCCN2CCC(C(F)(F)F)CC2)c(F)c1F,XIYRTSSOJALHEH-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:4:183906:226844,CCCCOc1cc(S(=O)(=O)N2CCOCC2)ccc1-c1ccnc(C(=O)C(F)(F)F)c1,XKJZFEMWVGLJKT-UHFFFAOYSA-N
-rxn:4:183910:223179,CONC(=O)c1cc(-c2cc(OCCN3CCOC(C)C3)cc(C(=O)OC)c2)ccc1F,URECFHLSYXYTEM-UHFFFAOYSA-N
-rxn:4:183914:223179,CONC(=O)c1cc(-c2cc(OC(F)(F)F)ccc2OCCN2CCCC(C)C2)ccc1F,PDIOFLXNFBJFNO-UHFFFAOYSA-N
-rxn:4:183928:223884,CC(c1ccc(-c2ccc3c(c2)CCN(C(=O)OC(C)(C)C)C3)cc1)N(C(=O)OC(C)(C)C)C1CC1,MOSKDNMFTFHXGI-UHFFFAOYSA-N
-rxn:4:183928:224078,CC(c1ccc(-c2cccc3c2ccn3[Si](C)(C)C(C)(C)C)cc1)N(C(=O)OC(C)(C)C)C1CC1,LWOHSTRTGHFDAQ-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:4:183941:223279,CCCCN(C1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(-c2cnc(C3CCCN3)nc2)cc1,MVQYEJHKRCAMOD-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:4:183960:223179,CONC(=O)c1cc(-c2ccc(OCC3CN(C(=O)OC(C)(C)C)C3)cc2C)ccc1F,IJWPGJJCBXLZFI-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:4:183962:223179,CONC(=O)c1cc(-c2cc(C)cc(OCC3CN(C(=O)OC(C)(C)C)C3)c2)ccc1F,VBNLDTBBJQKYOA-UHFFFAOYSA-N
-rxn:4:183963:223179,CONC(=O)c1cc(-c2c(C)cccc2OCC2CN(C(=O)OC(C)(C)C)C2)ccc1F,UBWJREXVTBZFNO-UHFFFAOYSA-N
-rxn:4:183965:223179,CONC(=O)c1cc(-c2cc(OCCN3CCCC(C)C3)cc(C(=O)OC)c2)ccc1F,GVYLMDDIJHFZOP-UHFFFAOYSA-N
-rxn:4:183969:223493,CCOC(=O)C1CCN(S(=O)(=O)c2ccc(-c3cc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)ccc3C)c(OC)c2)CC1,LKLAKAPWQCUQPX-UHFFFAOYSA-N
-rxn:4:183970:223279,CCOC(=O)C1CCN(S(=O)(=O)c2cc(-c3cnc(C4CCCN4)nc3)ccc2OC)CC1,UROPUGOEIPIDIW-UHFFFAOYSA-N
-rxn:4:183983:222581,Cc1ccc(-c2ccc(S(=O)(=O)NC(C)C)c3ccccc23)cc1CN(C(=O)OC(C)(C)C)C(C)C,FWSPKHZDUSGHCP-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:4:183989:223279,CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)Cc1c(F)cc(F)cc1-c1cnc(C2CCCN2)nc1,MUAYWFSBBCZOPG-LBAQZLPGSA-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:4:183996:223279,CC(C)(C)OC(=O)N(Cc1cc(-c2cnc(C3CCCN3)nc2)ccc1Cl)C1CCCC1,DHDJBHJOCBUUSJ-UHFFFAOYSA-N
-rxn:4:184016:223179,CONC(=O)c1cc(-c2ccccc2COC2CCN(C(=O)OC(C)(C)C)CC2)ccc1F,MKGQLFXENJDKKC-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:4:184020:223279,Cc1cc(-c2cnc(C3CCCN3)nc2)ccc1OC[C@@H]1CCCN1C(=O)OC(C)(C)C,OEEUMMXZBQRZHC-BGERDNNASA-N
-rxn:4:184021:223279,CC(C)(C)OC(=O)N(Cc1cccc(Cl)c1-c1cnc(C2CCCN2)nc1)C1CCOCC1,XGPAJIDEWJJDDM-UHFFFAOYSA-N
-rxn:4:184022:223179,CONC(=O)c1cc(-c2ccc(Cl)cc2OCC2CCN(C(=O)OC(C)(C)C)CC2)ccc1F,CSXVPDLGCALURX-UHFFFAOYSA-N
-rxn:4:184026:223179,CONC(=O)c1cc(-c2ccc(Cl)c(OCC3CCCN(C(=O)OC(C)(C)C)C3)c2)ccc1F,TUWNLHGXCPDVIQ-UHFFFAOYSA-N
-rxn:4:184030:223279,CC(C)(C)OC(=O)N1CCC(COc2cccc(F)c2-c2cnc(C3CCCN3)nc2)CC1,JPSVASYSSVRQDA-UHFFFAOYSA-N
-rxn:4:184031:223279,CC(C)(C)OC(=O)N1CCCC(COc2cc(F)cc(-c3cnc(C4CCCN4)nc3)c2)C1,GDGYQQVMDAPRJY-UHFFFAOYSA-N
-rxn:4:184032:226844,CC(C)(C)OC(=O)N1CCCCC1COc1cc(F)cc(-c2ccnc(C(=O)C(F)(F)F)c2)c1,ZDJSXEALLFGXKS-UHFFFAOYSA-N
-rxn:4:184033:226844,CC(C)(C)OC(=O)N1CCCC(OS(=O)(=O)c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2)C1,UYCPRBUQBQRPGI-UHFFFAOYSA-N
-rxn:4:184034:223179,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:4:184037:224491,COc1ccc(CN(C(C)(C)C)S(=O)(=O)c2ccc(-c3ccc(F)c(CN(C(C)C)C(C)C)c3)cc2)cc1,AFZNJCALXSADPH-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:4:184055:223179,CONC(=O)c1cc(-c2ccc(OC3CCN(C(=O)OC(C)(C)C)CC3)c(OC)c2)ccc1F,FIJKVXMBPUVNAI-UHFFFAOYSA-N
-rxn:4:184056:223279,COc1cc(OC2CCN(C(=O)OC(C)(C)C)CC2)ccc1-c1cnc(C2CCCN2)nc1,KMCXCPOANZMUGD-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:4:184062:223279,Cc1cc(CN(C(=O)OC(C)(C)C)C2CCCC2)ccc1-c1cnc(C2CCCN2)nc1,AYTOHIHUGDXMPR-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:4:184063:226844,Cc1cc(-c2ccnc(C(=O)C(F)(F)F)c2)ccc1CN(C(=O)OC(C)(C)C)C1CCCC1,DOCCYWGBJUYSGP-UHFFFAOYSA-N
-rxn:4:184065:223279,CC(C)(C)OC(=O)N(Cc1ccc(-c2cnc(C3CCCN3)nc2)cc1)C1CCCCC1,MSKYSXPSDHJWFA-UHFFFAOYSA-N
-rxn:4:184066:223279,CC(C)(C)OC(=O)N(Cc1cccc(Cl)c1-c1cnc(C2CCCN2)nc1)C1CCCCC1,VEMFZPUXKLKTEM-UHFFFAOYSA-N
-rxn:4:184067:223179,CONC(=O)c1cc(-c2ccc(CN(C(=O)OC(C)(C)C)C3CCC(F)(F)CC3)cc2)ccc1F,BATRDTSIDJNNSH-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:4:184070:224417,COC(=O)C1(c2ccc(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc2C)CCN(C(=O)OC(C)(C)C)C1,YUWITONLXVNAIM-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:4:184070:227822,COC(=O)C1(c2ccc(-c3c(C)cccc3C(C)C)cc2C)CCN(C(=O)OC(C)(C)C)C1,JODZWUABADHLAQ-UHFFFAOYSA-N
-rxn:4:184070:228432,COC(=O)C1(c2ccc(-c3ccc(Cl)c(SC)c3F)cc2C)CCN(C(=O)OC(C)(C)C)C1,OCCYQTVSIZITDK-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:4:184074:223557,CCc1ccc(CN(C(=O)c2ccccc2-c2c(F)ccc3c2ccn3[Si](C(C)C)(C(C)C)C(C)C)C2CCS(=O)(=O)C2)cc1,PWJNLJYKDWQYLK-UHFFFAOYSA-N
-rxn:4:184084:223279,Cc1cccc(OCC2CCN(C(=O)OC(C)(C)C)CC2)c1-c1cnc(C2CCCN2)nc1,DNNGYOBPPJAHJW-UHFFFAOYSA-N
-rxn:4:184085:223940,Cc1c(OCC2CCN(C(=O)OC(C)(C)C)CC2)cccc1-c1ccc2c(c1)OCCN2C(=O)OC(C)(C)C,YPOISSIEELIVSL-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:4:184087:226844,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:4:184090:226844,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:4:184091:223179,CONC(=O)c1cc(-c2cc(OC)c(S(=O)(=O)N3CCC(Cc4ccccc4)CC3)cc2OC)ccc1F,AUQDIHBJHPUPLI-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:4:184094:223179,CONC(=O)c1cc(-c2ccccc2C(=O)N(Cc2ccc(C(C)C)cc2)C2CCS(=O)(=O)C2)ccc1F,VQFGJKADCSDPDC-UHFFFAOYSA-N
-rxn:4:184094:223568,CC(C)c1ccc(CN(C(=O)c2ccccc2-c2cnc3c(ccn3[Si](C(C)C)(C(C)C)C(C)C)c2Cl)C2CCS(=O)(=O)C2)cc1,MXKDSJQFSBWPPS-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:4:184095:223179,CONC(=O)c1cc(-c2ccc(S(=O)(=O)N3CCC[C@@H]3CO[Si](C)(C)C(C)(C)C)cc2)ccc1F,NKTITPNYIRIDER-HXUWFJFHSA-N
-rxn:4:184097:226844,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:4:184098:223179,CONC(=O)c1cc(-c2cccc(CN(C(=O)c3ccc(C(C)(C)C)cc3)C3CCS(=O)(=O)C3)c2)ccc1F,WVUNZCZJSVNAEH-UHFFFAOYSA-N
-rxn:4:184098:223279,CC(C)(C)c1ccc(C(=O)N(Cc2cccc(-c3cnc(C4CCCN4)nc3)c2)C2CCS(=O)(=O)C2)cc1,SBGOUUMJAIOGLL-UHFFFAOYSA-N
-rxn:4:184099:226844,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:4:184151:226844,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:4:184181:224322,CC1CCN(S(=O)(=O)c2ccc(-c3ccc(CN(C(=O)OC(C)(C)C)C(C)C)c4ccccc34)cc2)CC1,VHPRBXKCIIORAQ-UHFFFAOYSA-N
-rxn:4:184182:223179,CONC(=O)c1cc(-c2cc(CCC(=O)N3C4CCC3CC(SC)C4)ccc2OC)ccc1F,DCMXCRWZKAGCCW-UHFFFAOYSA-N
-rxn:4:184183:223179,CONC(=O)c1cc(-c2ccc(OC)c(CCC(=O)N3C4CCC3CC(SC)C4)c2)ccc1F,JKBLXAQRQOSORM-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:4:184187:226844,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:4:184189:223179,CONC(=O)c1cc(-c2ccc3c(CC(=O)N4CCC(C(=O)OC)CC4)c(OC)ccc3c2)ccc1F,BUKQOHFQYQLNKD-UHFFFAOYSA-N
-rxn:4:184199:223179,CONC(=O)c1cc(-c2ccc(CN(C(=O)OC(C)(C)C)C3CCOC3)c3ccccc23)ccc1F,NQMIUEIBHBAYJO-UHFFFAOYSA-N
-rxn:4:184205:226844,CC(C)(C)OC(=O)N1CCc2c(F)c(-c3ccnc(C(=O)C(F)(F)F)c3)cc(OCc3ccccc3)c2C1,IKVXIBHJAYFHCH-UHFFFAOYSA-N
-rxn:4:184208:226844,CC(C)(C)OC(=O)N(Cc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)c2ccccc12)C1CCCC1,COXQVOALUQGGQT-UHFFFAOYSA-N
-rxn:4:184216:223179,CONC(=O)c1cc(-c2cc(OCC3CCN(C(=O)OC(C)(C)C)CC3)cc3ccccc23)ccc1F,HLALYQAMHKCWCZ-UHFFFAOYSA-N
-rxn:4:184218:226844,COc1cccc(CN(C(=O)c2oc3cc(-c4ccnc(C(=O)C(F)(F)F)c4)ccc3c2C)C2CCS(=O)(=O)C2)c1,URTBKTJFRNCZST-UHFFFAOYSA-N
-rxn:4:184219:223179,CONC(=O)c1cc(-c2cc3cc(O[Si](C)(C)C(C)(C)C)ccc3n2C(=O)OC(C)(C)C)ccc1F,WIGPVLLXUZXIHI-UHFFFAOYSA-N
-rxn:4:184219:226844,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:4:184222:226844,CC(C)(C)OC(=O)N(Cc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)c2ccccc12)C1CCCCC1,ZRFUIXKYPDNQON-UHFFFAOYSA-N
-rxn:4:184223:223567,Cc1ccc(C(=O)C(C)OC(=O)c2cc(-c3ccc(-c4cc5cc(OC(C)C)ccc5n4C(=O)OC(C)(C)C)cc3)nc3ccc(C)cc23)cc1,KFFOHCPQLISDBF-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:4:184328:223832,CCOC(=O)CC(=O)c1ncccc1-c1cc(S(=O)(=O)N2CCC(C)CC2)ccc1OC,QFPXCCGSSVGTLD-UHFFFAOYSA-N
-rxn:4:184390:223888,COC(=O)Cc1ccc(C(F)F)c(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CCC3)c1C#N,FCNPHLPZFYORCO-UHFFFAOYSA-N
-rxn:4:184399:223947,CCN(C(=O)OC(C)(C)C)c1ccc(-c2cc(C#N)c(CC(=O)OC)cc2C(F)F)c(F)c1,QMXVLLMSBDGFEH-UHFFFAOYSA-N
-rxn:4:184681:222636,CCOC(=O)C1(C#N)CC1c1ccc(-c2ccc([C@@H](C)NC(=O)OC(C)(C)C)cc2)cc1,FMGKLEYDJSEGDJ-TWLNZGNHSA-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:4:184891:222444,COc1ccc(F)cc1C(=O)NCc1ccc(-c2cc(C(F)(F)F)ccc2OCC(=O)N2CCCC2)cc1,YMKNHLKOMODDPR-UHFFFAOYSA-N
-rxn:4:184891:225613,O=C(COc1ccc(C(F)(F)F)cc1-c1ccnc(OC2CCCCC2)c1)N1CCCC1,VZDHIGVNVXAPCG-UHFFFAOYSA-N
-rxn:4:184907:224716,CN(C(=O)OC(C)(C)C)C(=O)c1ccccc1-c1ccc(N(C)C(=O)OC(C)(C)C)nc1,ZBQQKLIYLGLBAA-UHFFFAOYSA-N
-rxn:4:184908:222589,COc1ccc(OCC(=O)N2CCCC2)c(-c2ccc(OCCN3CCC(O)CC3)c(Cl)c2)c1,QAUSHMAGBUAMQH-UHFFFAOYSA-N
-rxn:4:184931:223279,COC(=O)CN1C(=O)C(=Cc2ccc(OC)c(-c3cnc(C4CCCN4)nc3)c2)SC1=S,XNJJWLRHTCGRLH-UHFFFAOYSA-N
-rxn:4:184935:222647,CCN(C(=O)OC(C)(C)C)c1ccc(-c2cc(C)c(NC(=O)OC(C)(C)C)cc2C)cc1,NHPHZDRNZBSTGR-UHFFFAOYSA-N
-rxn:4:184984:224188,CC(C)Sc1ncc(-c2ccc(C(=O)N(C(C)C)C(C)C)cc2Cl)cc1C(=O)OC(C)(C)C,NIHPKTZMVUMWKA-UHFFFAOYSA-N
-rxn:4:185020:224719,CC(C)c1nn(C(=O)OC(C)(C)C)cc1-c1ccccc1CC(=O)N(C(C)C)C(C)C,IMPQYNWKQPDRDP-UHFFFAOYSA-N
-rxn:4:185024:223831,COc1ccc(OCC(=O)N2CCCCC2)c(-c2ccc(OC)c(S(=O)(=O)N3CCC(C)CC3)c2)c1,RGHOVXBPVOUUCP-UHFFFAOYSA-N
-rxn:4:185026:224721,Cc1nn(CC(=O)OC(C)(C)C)c(C)c1-c1ccc(SC2CN(C(=O)OC(C)(C)C)C2)cc1,QHYKFQWLFCQMDR-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:4:185067:226844,O=C(c1cc(-c2cccc(CN3CCC(F)(F)CC3)c2OCC(F)(F)F)ccn1)C(F)(F)F,SRBPDZITJGWBQO-UHFFFAOYSA-N
-rxn:4:185088:222758,COc1cc(-c2ccc(NC(=O)OC(C)(C)C)c(C)c2)ccc1C(=O)N(C(C)C)C(C)C,CVRSDQCXNYYGQS-UHFFFAOYSA-N
-rxn:4:185102:225812,Cc1cc(-c2ccc(C(=O)N(CC(C)C)C3CCS(=O)(=O)C3)o2)c(F)c(OC(C)C)c1F,WHLUDWYIQJPYSI-UHFFFAOYSA-N
-rxn:4:185104:223557,CC(C)CS(=O)(=O)C1CN(C(=O)c2cccc(-c3c(F)ccc4c3ccn4[Si](C(C)C)(C(C)C)C(C)C)c2)C1,YQUNGMKJONCMNA-UHFFFAOYSA-N
-rxn:4:185107:225286,CC(C)S(=O)(=O)c1ncc(-c2cc(F)ncc2C(=O)OC(C)(C)C)cc1C(=O)OC(C)(C)C,GFVDZBBEDRUFLC-UHFFFAOYSA-N
-rxn:4:185108:225892,COc1cnc(C(OC)OC)cc1-c1cc(S(=O)(=O)N2CCCC2)ccc1OCC1CC1,XKWIWOLWVQLRRX-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:4:185111:225278,COC(=O)c1ccc(C(=O)OC)c(-c2cc(F)ccc2CC(=O)N2CCC(C(=O)OC)CC2)c1,QAEYABLGNPMFFP-UHFFFAOYSA-N
-rxn:4:185112:224722,CN(C(=O)OC(C)(C)C)c1cc(-c2cc(-c3ccc(C(F)(F)F)cc3)n(C(=O)OC(C)(C)C)c2)ccn1,SBKIKNJLNNJQGB-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:4:185118:223279,O=C(CS(=O)(=O)c1cccc(-c2cnc(C3CCCN3)nc2)c1)N1CCC(C(F)(F)F)CC1,FHWTXCQWZJLBIP-UHFFFAOYSA-N
-rxn:4:185131:222814,COc1ccc(-c2ccnc(NC(=O)OC(C)(C)C)c2F)cc1S(=O)(=O)N(C(C)C)C(C)C,JBFBRIHMEUTJJM-UHFFFAOYSA-N
-rxn:4:185148:222725,CCNS(=O)(=O)c1ccc(-c2ccc(S(=O)(=O)C3CN(C(=O)OC(C)(C)C)C3)cc2)c(C(F)(F)F)c1,QASMAYOEKNJKNB-UHFFFAOYSA-N
-rxn:4:185154:223279,COC(=O)c1ccc(-c2cnc(C3CCCN3)nc2)cc1CN1CCCC(C(F)(F)F)C1,QSVMYAJCNZAKDT-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:4:185157:223179,CONC(=O)c1cc(-c2ccc(CN3CCCC(C(F)(F)F)C3)c(C(=O)OC)c2)ccc1F,RQNLPBGFQAALJA-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:4:185161:223179,CONC(=O)c1cc(-c2cc(C(F)(F)F)ccc2C2CN(C(=O)OC(C)(C)C)C2)ccc1F,OIAYLPOORJFYRO-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:4:185248:226844,COc1cc(-c2ccnc(C(=O)C(F)(F)F)c2)cc(OC)c1CN1CCCC(C(F)(F)F)C1,JUTRPAYIWVGWJN-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:4:185265:223279,CC(C)(C)OC(=O)CN1CC(c2cccc(-c3cnc(C4CCCN4)nc3)c2)OCC1=O,WWSVPPFKZSPSDJ-UHFFFAOYSA-N
-rxn:4:185266:228501,CC(C)CN(C1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(-c2cnn(C)c2C(F)(F)F)cc1,ZDMODTYWQHUEFV-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:4:185267:223279,CCOC(=O)C1CCN(S(=O)(=O)c2cc(C)cc(-c3cnc(C4CCCN4)nc3)c2)CC1,COSMBLATRCLSPV-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:4:185269:226844,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:4:185270:226844,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2C(F)(F)F)C1,NVLNMIKISOMYDE-UHFFFAOYSA-N
-rxn:4:185299:223179,CONC(=O)c1cc(-c2cc(C=C3SC(=O)N(Cc4ccc(F)cc4)C3=O)cc(OC)c2OC)ccc1F,OCVDAVWTHPTCIO-UHFFFAOYSA-N
-rxn:4:185302:223179,CCN(C1CCCCC1)S(=O)(=O)c1cc(-c2ccc(F)c(C(=O)NOC)c2)ccc1OC,LCFKPYJGMRKFRH-UHFFFAOYSA-N
-rxn:4:185306:223006,CCOc1cc(S(=O)(=O)N(C)C2CCCCC2)ccc1-c1ccc(F)c(C2CCNCC2)c1,UTMOEPDRJQIKAH-UHFFFAOYSA-N
-rxn:4:185308:223179,CONC(=O)c1cc(-c2ccc(OC3CCN(C(=O)OC(C)(C)C)CC3)cc2)ccc1F,QTCPKMIZWMGJFP-UHFFFAOYSA-N
-rxn:4:185311:226844,CCN(c1cc(-c2ccnc(C(=O)C(F)(F)F)c2)cc(C(=O)OC)c1C)C1CCOCC1,YZDQMZMILPXDIX-UHFFFAOYSA-N
-rxn:4:185312:223179,CONC(=O)c1cc(-c2ccc(C3CCCN3C(=O)OC(C)(C)C)c(OC)c2)ccc1F,HIYMMOILIQMRNU-UHFFFAOYSA-N
-rxn:4:185314:223179,CONC(=O)c1cc(-c2cccc(OC3CCCN(C(=O)OC(C)(C)C)C3)c2)ccc1F,GOYRZSKETSIHNB-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:4:185317:223179,CONC(=O)c1cc(-c2cc(C3CN(C(=O)OC(C)(C)C)C3)ccc2C2CC2)ccc1F,BVVBAAOMTAVWRE-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:4:185324:223179,CONC(=O)c1cc(-c2cc(F)cc(OC3CCN(C(=O)OC(C)(C)C)CC3)c2)ccc1F,DNAIUHSEEDKGTP-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:4:185326:223179,CONC(=O)c1cc(-c2cccc(OC(C)C)c2CN2CCC(C(F)(F)F)CC2)ccc1F,KJJKQESKXWGVDZ-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:4:185344:223179,CONC(=O)c1cc(-c2ccccc2N2C(=O)C(=Cc3cc(OC)c(OC)c(OC)c3)SC2=S)ccc1F,SRAUXSYTCUPCMF-UHFFFAOYSA-N
-rxn:4:185348:223093,CCCOc1cc(S(=O)(=O)N2CC(C)OC(C)C2)ccc1-c1cncc(NS(=O)(=O)C(C)C)c1,HLMYEYMUGKNEMM-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:4:185353:225323,Cn1ncc2cc(-c3ccc(CC(=O)N4CCC(S(=O)(=O)C(C)(C)C)C4)cc3)cc(C(F)(F)F)c21,POZAFXMNFQZRBR-UHFFFAOYSA-N
-rxn:4:185354:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2ccccc2C(=O)C2CCN(C(=O)OC(C)(C)C)CC2)cc1,CUBDUBDQIQEFCW-UHFFFAOYSA-N
-rxn:4:185354:223179,CONC(=O)c1cc(-c2ccccc2C(=O)C2CCN(C(=O)OC(C)(C)C)CC2)ccc1F,ANJPQUFCLBYFAX-UHFFFAOYSA-N
-rxn:4:185356:223179,CONC(=O)c1cc(-c2ccc(F)c(C(=O)C3CCN(C(=O)OC(C)(C)C)CC3)c2)ccc1F,UOKWXTBRTZNSDC-UHFFFAOYSA-N
-rxn:4:185364:226844,CC(C)N1C(=O)C(=Cc2cc(-c3ccnc(C(=O)C(F)(F)F)c3)ccc2OCc2ccc(Cl)cc2)SC1=S,BKAZGSNVQGVOJX-UHFFFAOYSA-N
-rxn:4:185375:223179,CONC(=O)c1cc(-c2ccccc2S(=O)(=O)N2CCC(S(=O)(=O)CC(C)C)CC2)ccc1F,VASWEAJWTXYKQU-UHFFFAOYSA-N
-rxn:4:185375:227790,CC(C)CS(=O)(=O)C1CCN(S(=O)(=O)c2ccccc2-c2ccc(Cl)nc2C(F)(F)F)CC1,SBDBXHJPCNATSL-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:4:185376:227776,CC(C)CS(=O)(=O)C1CCCN(S(=O)(=O)c2ccccc2-c2cc(C(F)(F)F)cnc2Cl)C1,GJJMQWDKABJFNK-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:4:185385:223279,CC(C)(C)OC(=O)N1CCC(c2ccc(C(F)(F)F)c(-c3cnc(C4CCCN4)nc3)c2)CC1,GWIYCADXSBFFGS-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:4:185402:226844,CCCOc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1S(=O)(=O)N1CC(C)CC(C)C1,ISDGPSKBKYQBAU-UHFFFAOYSA-N
-rxn:4:185407:223179,CONC(=O)c1cc(-c2cc(C3CCN(C(=O)OC(C)(C)C)CC3)ccc2OC)ccc1F,QMKBEMYKRRLLJM-UHFFFAOYSA-N
-rxn:4:185407:226844,COc1ccc(C2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccnc(C(=O)C(F)(F)F)c1,UCDLWJZOZPNDPH-UHFFFAOYSA-N
-rxn:4:185408:226844,CC(C)(C)OC(=O)N1CCC(c2cc(-c3ccnc(C(=O)C(F)(F)F)c3)ccc2C2CC2)C1,UCTSCLNVJHRTSW-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:4:185409:226844,CC(C)(C)OC(=O)N1CCC(c2cc(-c3ccnc(C(=O)C(F)(F)F)c3)cc(C3CC3)c2)C1,XBQFWDYDEVCNJD-UHFFFAOYSA-N
-rxn:4:185412:226844,CC(C)(C)OC(=O)N1CCC(c2ccc(C3CC3)c(-c3ccnc(C(=O)C(F)(F)F)c3)c2)C1,OJNRZPHJGWLWBR-UHFFFAOYSA-N
-rxn:4:185413:223179,CONC(=O)c1cc(-c2cc(C3CCCN(C(=O)OC(C)(C)C)C3)ccc2OC)ccc1F,QFCKKVMZMCXFAD-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:4:185419:226844,CC(C)(C)OC(=O)N1CCOC(c2ccc(C3CC3)c(-c3ccnc(C(=O)C(F)(F)F)c3)c2)C1,XQEKQBAEWFCOTK-UHFFFAOYSA-N
-rxn:4:185420:223279,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:4:185422:226844,CC(C)(C)OC(=O)N1CCOC(c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2C2CC2)C1,VGJYMNDKCGFGFG-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:4:185439:223179,CONC(=O)c1cc(-c2cc(C3CC3)cc(C3CCN(C(=O)OC(C)(C)C)CC3C)c2)ccc1F,VVOQWQBCJNRAIT-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:4:185442:223179,CONC(=O)c1cc(-c2cc(C3COC3)cc(C3CCN(C(=O)OC(C)(C)C)CC3C)c2)ccc1F,UUEQDVMDEDCLHL-UHFFFAOYSA-N
-rxn:4:185448:223279,CC(C)(C)OC(=O)N1CCC(c2cc(-c3cnc(C4CCCN4)nc3)cc(C3CCOCC3)c2)CC1,FJSJDJLQXOWJJE-UHFFFAOYSA-N
-rxn:4:185491:223568,CON=CC(C)C(=O)c1ccc2c(-c3cnc4c(ccn4[Si](C(C)C)(C(C)C)C(C)C)c3Cl)c(OC)ccc2c1,NLVYIEWCDJQVHY-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:4:185527:223179,CONC(=O)c1cc(-c2cc(CCC(=O)N3C4C=CCC3CC4)ccc2OC)ccc1F,KUTYLXITDWSFRU-UHFFFAOYSA-N
-rxn:4:185534:223279,COC(=O)C1CN(C(=O)OC(C)(C)C)Cc2ccc(-c3cnc(C4CCCN4)nc3)cc21,DYOHJVHGVAMVDY-UHFFFAOYSA-N
-rxn:4:185535:223179,CONC(=O)c1cc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)[C@H](C(=O)OC)C3)ccc1F,GMCXPGNNUONVII-FQEVSTJZSA-N
-rxn:4:185535:223279,COC(=O)[C@@H]1Cc2ccc(-c3cnc(C4CCCN4)nc3)cc2CN1C(=O)OC(C)(C)C,PVJFTBPSGSDPBQ-ANYOKISRSA-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:4:185542:226844,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:4:185555:222786,CC(=O)c1c(C)oc2ccc(N(C(C)=O)S(=O)(=O)c3ccc(-c4cc(F)cc(NC(=O)OC(C)(C)C)c4)cc3)cc12,DUMSXCAINZVKLX-UHFFFAOYSA-N
-rxn:4:185567:223279,CS(=O)(=O)C1CC2CCC(C1)N2C(=O)CCc1ccccc1-c1cnc(C2CCCN2)nc1,VLQWKVKMCBBYDA-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:4:185608:223179,CONC(=O)c1cc(-c2ccc(CC(=O)N3C4CCC3CC(S(=O)(=O)c3ccccc3)C4)cc2)ccc1F,RRIUATJWXYJERH-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:4:185644:223279,COC(=O)c1ccc(C2c3c(oc4ccc(-c5cnc(C6CCCN6)nc5)cc4c3=O)C(=O)N2CC2CCCO2)cc1,HKKXCCCFPPCRSW-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:4:185648:227994,CC(C)c1ccc(Cl)c(-c2ccc(S(=O)(=O)N(C(=O)C3CCCCC3)c3ccc4oc5c(c4c3)CCCC5)cc2)c1,GHRDRYHCWFWLPQ-UHFFFAOYSA-N
-rxn:4:185987:223559,COC(=O)c1cc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)cnc1C(=O)OC,NMFWZEBCOQRREM-UHFFFAOYSA-N
-rxn:4:186333:223559,COc1ccc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)c(C(=O)N(C)OC)c1,HLJMUCBJYDQHNU-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:4:186544:226844,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:4:186545:226844,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:4:186719:224620,CC(C)(C)[Si](C)(C)OCc1ccc(-c2ccc(C(=O)N3CCCC3)cc2OC(F)F)cn1,SECSPAFDJIMNDO-UHFFFAOYSA-N
-rxn:4:186736:224100,COC(=O)c1ccc(-c2ccccc2OCCN2CCC(C)CC2)c(CN2CC(F)(F)C2)c1,DISFFAWQPRTRFJ-UHFFFAOYSA-N
-rxn:4:186751:226573,Cc1nc(OC(C)(C)C)ncc1-c1ccc(N(C(=O)C(F)(F)F)C2C=CS(=O)(=O)C2)cc1,COJSBTOBVSPAPT-UHFFFAOYSA-N
-rxn:4:186881:222518,CC(C)CN(C)S(=O)(=O)c1cc(-c2ccc(F)c3sc(NC(=O)OC(C)(C)C)nc23)c(F)cc1F,NSPUEJXITMKUPG-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:4:187156:223179,CONC(=O)c1cc(-c2ccccc2S(=O)(=O)CC(=O)N2CCC(F)(F)CC2)ccc1F,NPIBXXKNNKDOCB-UHFFFAOYSA-N
-rxn:4:187212:223929,CC(C)(C)OC(=O)N1CCc2cc(-c3ccc(C4CN(C(=O)OC(C)(C)C)C4)cc3F)cnc2C1,WRHWYFLGFVGJGG-UHFFFAOYSA-N
-rxn:4:187220:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2cc(C3CN(C(=O)OC(C)(C)C)C3)ccc2F)cc1,GAYPKAKXKPUMTK-UHFFFAOYSA-N
-rxn:4:187230:226583,COC(=O)C1CCN(S(=O)(=O)c2ccccc2-c2ccc(CN3CCOCC3)s2)CC1,YEGBYZRCVHFMLO-UHFFFAOYSA-N
-rxn:4:187231:225324,CCN(C1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(-c2cn(CCC(C)C)nc2C(F)(F)F)cc1,PIXULLVVKTVYJJ-UHFFFAOYSA-N
-rxn:4:187286:223788,Cc1ccc(-c2ccc(OC3CN(C(=O)OC(C)(C)C)C3)cc2)c(C(=O)N(C(C)C)C(C)C)c1,OPBWZYRCDIEVLH-UHFFFAOYSA-N
-rxn:4:187440:223946,CCN(C(=O)OC(C)(C)C)c1ccc(-c2coc(C3CCCN(C(=O)OC(C)(C)C)C3)c2)c(Cl)c1,SMOBBOUREFKQBI-UHFFFAOYSA-N
-rxn:4:187447:223180,CONC(=O)c1ccc(-c2ccccc2CCC(=O)N2CCC3(CC2)CC3(F)F)cc1F,BNOUNRAMYVSQAP-UHFFFAOYSA-N
-rxn:4:187477:224398,Cc1cc(F)c(-c2cc(CN3CCCCC3)ccc2OC(C)C)cc1S(=O)(=O)N1CCCC1,BXMNZGREFPNVAX-UHFFFAOYSA-N
-rxn:4:187482:222537,CCOc1ccc(-c2cc(C3CCCC3)nc(C3CCCNC3)c2)cc1S(=O)(=O)N1CCCC(C)C1,JJDZURSQJQRSQG-UHFFFAOYSA-N
-rxn:4:187494:223889,CC(C)(C)OC(=O)N1CCc2cccc(-c3ccc(C4CN(C(=O)OC(C)(C)C)CCO4)cc3)c2C1,MNCIBEVWICIBCX-UHFFFAOYSA-N
-rxn:4:187499:223505,COc1cc(-c2ccc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cc2)cc(OC)c1C(=O)N1CCCC(C)C1,YFPQFVUEQLLPAT-UHFFFAOYSA-N
-rxn:4:187505:226728,CC(C)(C)OC(=O)N1CCOC(c2ccc(-c3ccc(OCC(F)F)cc3F)cc2Cl)C1,DRCUEIRBONCOBW-UHFFFAOYSA-N
-rxn:4:187557:222813,CC(C)(C)OC(=O)Nc1ncc(-c2ccc([C@H]3CCCC(=O)N3C(=O)OC(C)(C)C)cc2)cc1Cl,LUSBUPHNSQFSCT-HXUWFJFHSA-N
-rxn:4:187558:223179,CONC(=O)c1cc(-c2ccc(C3CCN(C(=O)OC(C)(C)C)CC3=O)cc2)ccc1F,ZPJOSYPVVIVZCT-UHFFFAOYSA-N
-rxn:4:187561:226829,Cc1cc(C(F)(F)F)cc(-c2ccc(Cl)c(C(=O)N3CCC(S(=O)(=O)C(C)(C)C)C3)c2)c1Cl,DXSZGNQNEPSGQD-UHFFFAOYSA-N
-rxn:4:187575:223888,CC(C)(C)OC(=O)N1CCCC(c2cccc(-c3ccc4c(c3)N(C(=O)OC(C)(C)C)CCC4)c2)C1,WBSZXXUDKREAKB-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:4:187583:223179,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:4:187586:223179,CONC(=O)c1cc(-c2ccc(C3CCCN(C(=O)OC(C)(C)C)C3)c(Cl)c2)ccc1F,ZCYZOKGQYBOQLP-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:4:187593:226844,CC(C)(C)OC(=O)N1CCCC(c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2F)C1,HRIFLKASBGRZTA-UHFFFAOYSA-N
-rxn:4:187627:223179,CCC1CCCCN1S(=O)(=O)c1cc(-c2ccc(F)c(C(=O)NOC)c2)c(C)cc1OC,JHMNYXASBVTNBB-UHFFFAOYSA-N
-rxn:4:187628:223179,CCOc1cc(S(=O)(=O)N2CC(C)CC(C)C2)ccc1-c1ccc(F)c(C(=O)NOC)c1,VITLBEFJBJAJGV-UHFFFAOYSA-N
-rxn:4:187629:226844,COc1cc(C)c(-c2ccnc(C(=O)C(F)(F)F)c2)cc1S(=O)(=O)N(C)C1CCCCC1,XRJLSJBVZLQYSF-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:4:187658:224078,CCN(C1CCCCC1)S(=O)(=O)c1cc(-c2cccc3c2ccn3[Si](C)(C)C(C)(C)C)c(C)cc1C,RJMQWKBZZZUUBN-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:4:187660:223179,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:4:187662:226844,Cc1cc(-c2ccnc(C(=O)C(F)(F)F)c2)cc(C2CCN(C(=O)OC(C)(C)C)CC2)c1,DNXJONZSCSYHNS-UHFFFAOYSA-N
-rxn:4:187666:223179,CONC(=O)c1cc(-c2ccc(C)c(C3CCN(C(=O)OC(C)(C)C)CC3)c2)ccc1F,QRZPSODESDVDQI-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:4:187670:222787,CC1CN(C(=O)OC(C)(C)C)CCC1c1cc(Cl)cc(-c2ccc(NC(=O)OC(C)(C)C)cc2Cl)c1,DJEXEHNZKQCUSL-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:4:187671:223285,CC(C)(C)c1cc(CN2CCC(C(F)(F)F)CC2)cc(-c2ccccc2NS(C)(=O)=O)c1,LGUQDBWUQROWBL-UHFFFAOYSA-N
-rxn:4:187673:223279,CC1CN(C(=O)OC(C)(C)C)CCC1c1cc(F)cc(-c2cnc(C3CCCN3)nc2)c1,XTHSGYPYPXUKJX-UHFFFAOYSA-N
-rxn:4:187673:226844,CC1CN(C(=O)OC(C)(C)C)CCC1c1cc(F)cc(-c2ccnc(C(=O)C(F)(F)F)c2)c1,FKCIGDMYWXDEML-UHFFFAOYSA-N
-rxn:4:187684:222833,CC(C)CCC(=O)Nc1cccc(-c2cccc(C(=O)c3cccc(CN4CCC5(CC4)OCCO5)c3)c2)c1,RYPGNFFPBQYUNF-UHFFFAOYSA-N
-rxn:4:187690:222849,N#Cc1cc(-c2ccc(C(=O)c3cccc(CN4CCC5(CC4)OCCO5)c3)cc2F)ccc1C1CCNCC1,OSQJORJULFBGQZ-UHFFFAOYSA-N
-rxn:4:187822:223891,CC(C)(C)OC(=O)CN1Cc2cc(-c3c(F)ccc4c3ccn4[Si](C)(C)C(C)(C)C)ccc2C1=O,DPSQYVRQBNMNEJ-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:4:187878:223582,COC(=O)c1ccc2cc(-c3ccc4cc(N(C)C(=O)OC(C)(C)C)ccc4c3)n(C(=O)OC(C)(C)C)c2c1,XTTQUTQBKDVLHM-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:4:187942:222647,Cc1cc(-c2cccc3c2cc([Si](C)(C)C)n3C(=O)OC(C)(C)C)c(C)cc1NC(=O)OC(C)(C)C,JESNBSZNBBAZNC-UHFFFAOYSA-N
-rxn:4:187944:226844,O=C(c1cc(-c2ccc3c(c2)OCCCC3OCCN2CCOCC2)ccn1)C(F)(F)F,ASHKCPCDDJZPJG-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:4:187948:226844,COc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)c(C(=O)N2C3CCC2CC(S(C)(=O)=O)C3)c1,NGHDSNGJJUMUPK-UHFFFAOYSA-N
-rxn:4:187968:224309,CC(C)[Si](C(C)C)(C(C)C)n1ccc2cc(-c3c(Cl)ccc(O[Si](C)(C)C(C)(C)C)c3F)ccc21,MPYPKPZPPQSKDF-UHFFFAOYSA-N
-rxn:4:187969:224188,CC(C)N(C(=O)c1ccc(-c2cccc3c2ccn3[Si](C(C)C)(C(C)C)C(C)C)c(Cl)c1)C(C)C,JPFNPBMCIKXHKI-UHFFFAOYSA-N
-rxn:4:187971:224360,COC(=O)c1ccc(-c2ccc3ccn([Si](C(C)C)(C(C)C)C(C)C)c3c2)n1C(=O)OC(C)(C)C,QAUDRLXXGWGTHQ-UHFFFAOYSA-N
-rxn:4:187985:223179,CONC(=O)c1cc(-c2ccc(C34CCOCC3N(C(=O)OC(C)(C)C)CC4)cc2)ccc1F,LGZXZZFDQSGCHE-UHFFFAOYSA-N
-rxn:4:187985:226844,CC(C)(C)OC(=O)N1CCC2(c3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3)CCOCC12,DYEOHMVOAKGRJP-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:4:187996:223179,CONC(=O)c1cc(-c2ccc3c(c2)OC(C2CCN(C(=O)OC(C)(C)C)CC2)CC3=O)ccc1F,ZOGWJRPKMXAXEB-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:4:188014:223279,O=C(Oc1ccccc1N1C(=O)C2C3CCC(C3)C2C1=O)c1ccc(-c2cnc(C3CCCN3)nc2)cc1,NKCZATSYVRWYOT-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:4:188027:226844,CC(C)(C)c1ccc(C2c3c(oc4ccc(-c5ccnc(C(=O)C(F)(F)F)c5)cc4c3=O)C(=O)N2CC2CCCO2)cc1,WVRSSGLUDVCYHO-UHFFFAOYSA-N
-rxn:4:189790:223753,COC(=O)c1cnc(C2CCCC2)cc1-c1ccc(C)c(OCCCN2CCN(C)CC2)c1,OALKIBWITDWMDU-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:4:189919:222716,O=[N+]([O-])c1ccc(-c2ccc(S(=O)(=O)NC3CCCC3)c(F)c2)cc1SC1CCCCC1,YOWDFZHOWGPRLB-UHFFFAOYSA-N
-rxn:4:190072:225566,CC1(COc2ccc(-c3ccc(Cl)c(C(=O)N4CCCCC4C(F)(F)F)c3)cc2)COC1,QXCDKYVYEIBAMQ-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:4:190180:223279,O=S(=O)(c1cc(-c2cnc(C3CCCN3)nc2)cc(C(F)(F)F)c1)N1CCC(F)(F)CC1,ODGAXJHJXKWFEA-UHFFFAOYSA-N
-rxn:4:190260:223569,CC(C)C(=O)N1CCCC1c1ccc(-c2cnc3c(ccn3[Si](C(C)C)(C(C)C)C(C)C)c2F)cc1,IYKDNZLTUUFGAP-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:4:190322:224597,CCS(=O)(=O)N1CCC(c2ccc(-c3cc(C4CC4)cc(N4CCOCC4)c3)cc2)CC1,WAROQUJBXBKARB-UHFFFAOYSA-N
-rxn:4:190330:223896,COc1cccc(-c2ccc(C3CCCN3S(=O)(=O)C(C)C)cc2)c1C(=O)N(C(C)C)C(C)C,PFLGLUHUJRKJJK-UHFFFAOYSA-N
-rxn:4:190380:224376,COc1cc(S(=O)(=O)N2CCCCCC2)ccc1-c1cccc(S(=O)(=O)N2CCN(C)CC2)c1,FGWVRZPMMNUIPM-UHFFFAOYSA-N
-rxn:4:190389:225181,COC1CCN(S(=O)(=O)c2cc(C)cc(-c3cccc(CN4CCOCC4)c3F)c2)CC1,IEWFVRBVJGGUCP-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:4:190444:222930,Cc1cc(S(=O)(=O)N2CCOCC2)c(C(C)C)cc1-c1cnc(Cl)c(N2CCCC(O)C2)c1,XNXZKBXQWPVLTL-UHFFFAOYSA-N
-rxn:4:190451:223279,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1cnc(C2CCCN2)nc1,ZMUKCNBTXJUQDL-UHFFFAOYSA-N
-rxn:4:190477:223179,CONC(=O)c1cc(-c2ccc(OC)cc2C(=O)N2CC3(COC(C)(C)OC3)C2)ccc1F,XGXDZCZKSAHCIH-UHFFFAOYSA-N
-rxn:4:190485:223568,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(Cl)c(-c3cccc(C(=O)N4CCC(c5ccccc5F)S(=O)(=O)CC4)c3)cnc21,COIGPMMJCBHQOG-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:4:190488:226844,COc1cc(C)c(-c2ccnc(C(=O)C(F)(F)F)c2)cc1S(=O)(=O)N1CC(C)CC(C)C1,DDFLEOSYEQRBOG-UHFFFAOYSA-N
-rxn:4:190496:225128,COC(=O)C1(c2ccc(F)c(-c3cc(CN4CCC(C)CC4)cc(C(C)(C)C)c3)c2)CC1,SLJBMDVUZXIYAB-UHFFFAOYSA-N
-rxn:4:190498:223179,CONC(=O)c1cc(-c2cc(C(C)C)c(S(=O)(=O)N3CCCCCC3)cc2C)ccc1F,XZSMGRGCWWKCRV-UHFFFAOYSA-N
-rxn:4:190602:223559,COC(=O)c1cc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)c2ccn(C(F)(F)F)c2c1,PEALSFWPVNBWTQ-UHFFFAOYSA-N
-rxn:4:190828:222613,CCCNS(=O)(=O)c1ccc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)C(=O)C3)c(C(F)(F)F)c1,FEZDKWJYJQGWPT-UHFFFAOYSA-N
-rxn:4:190833:223659,CC(C)(C)OC(=O)N1CCC(Cn2cc(-c3ccc(Cl)c4c3C(=O)N(C(=O)OC(C)(C)C)C4)cn2)CC1,DTNWUKYYLRIYKM-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:4:190976:225533,CCN(CC)Cc1cc(F)cc(-c2ccc3c(c2)C(F)(F)CN(C(=O)OC(C)(C)C)C3)c1,GAALOVRGSSGCGY-UHFFFAOYSA-N
-rxn:4:190983:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)CCO3)cc1,DDXBGYKXTDVZTM-UHFFFAOYSA-N
-rxn:4:190986:222639,C[C@H](NC(=O)OC(C)(C)C)c1ccc(-c2cccc3c2OCCN(C(=O)OC(C)(C)C)C3)cc1,FVMUSZUPZDWOCH-SFHVURJKSA-N
-rxn:4:191008:224566,COC(=O)C1(c2ccc(-c3ccc4c(c3)C(=O)N(C(=O)OC(C)(C)C)C4(C)C)cc2)CCCC1,KHEVZCGCTLAZRK-UHFFFAOYSA-N
-rxn:4:191022:224421,COC(=O)C1=CN(c2ccc(-c3c(C(C)C)cc(C(C)C)cc3C(C)C)c(C)c2)c2ccccc2S1(=O)=O,DLPJMZJAQNKUKP-UHFFFAOYSA-N
-rxn:4:191030:224740,CN(C(C)(C)C)S(=O)(=O)c1cccc(-c2ccc3c(c2)C(C)(C)N(C(=O)OC(C)(C)C)C3)c1,JIBOYOMDHMOOBP-UHFFFAOYSA-N
-rxn:4:191042:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2ccc3c(c2)C(=O)C2(C3)CN(C(=O)OC(C)(C)C)C2)cc1,ZRCASHXIUCVEMP-UHFFFAOYSA-N
-rxn:4:191042:224076,CC(C)(C)OC(=O)N1CC2(Cc3ccc(-c4ccc5c(ccn5[Si](C)(C)C(C)(C)C)c4)cc3C2=O)C1,ZQOYMDCCMGNCAP-UHFFFAOYSA-N
-rxn:4:191062:223179,CONC(=O)c1cc(-c2ccccc2S(=O)(=O)N2C3CCC2CC(S(C)(=O)=O)C3)ccc1F,HOHIUDVVGBNMJZ-UHFFFAOYSA-N
-rxn:4:191071:223179,CONC(=O)c1cc(-c2ccc3c(c2)CN(CCC2=CCCCC2)C(=O)CO3)ccc1F,PRSGZGYARDNVBD-UHFFFAOYSA-N
-rxn:4:191072:223279,CC(C)(C)OC(=O)N1CCC2(CC1)OCc1cc(-c3cnc(C4CCCN4)nc3)sc12,DFGGTRAFLIATPG-UHFFFAOYSA-N
-rxn:4:191088:225557,COC(=O)C1(c2ccc(-c3ccc4c(c3)C(C)(C)CCN4C(=O)OC(C)(C)C)cc2)CC1,BKZVZOFVHXSLJJ-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:4:191097:224060,COc1c(C(C)(C)C)cc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)cc1C(C)(C)C,BDUIRFDAHYPEGU-UHFFFAOYSA-N
-rxn:4:191099:223279,CC(C)(C)OC(=O)N1CCC2(CC1)Oc1ccc(-c3cnc(C4CCCN4)nc3)cc1C2=O,FFHYKBSMMQFZEX-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:4:191105:223179,CONC(=O)c1cc(-c2cccc3c2C2(C=C3)CCN(C(=O)OC(C)(C)C)CC2)ccc1F,WHAJMAHYZVQDSI-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:4:191117:226844,CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)c1cccc(-c3ccnc(C(=O)C(F)(F)F)c3)c12,GFCXOPASDKTEAY-UHFFFAOYSA-N
-rxn:4:191120:226844,CC(C)(C)OC(=O)N1CCC2(CC1)Cc1cc(F)c(-c3ccnc(C(=O)C(F)(F)F)c3)cc1C2=O,LIBDJNHVLWHGNW-UHFFFAOYSA-N
-rxn:4:191122:225348,COC(=O)c1ccc(C(F)(F)F)cc1-c1ccc2c(c1)C(C)=CC(C)(C)N2S(=O)(=O)c1ccc(OC)cc1,JADHPDONHROFEJ-UHFFFAOYSA-N
-rxn:4:191123:223538,CC(C)(C)OC(=O)N1CCC2(CCc3cccc(-c4ccnc5c4cc(C(F)F)n5S(=O)(=O)c4ccccc4)c32)CC1,ZZESLVNXKHFFGA-UHFFFAOYSA-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:4:191124:223929,CC(C)(C)OC(=O)N1CCC2(CCc3ccc(-c4cnc5c(c4)CCN(C(=O)OC(C)(C)C)C5)cc32)CC1,WHSMMNGMYZVZEN-UHFFFAOYSA-N
-rxn:4:191125:223179,CONC(=O)c1cc(-c2ccc3c(c2)CCC32CCN(C(=O)OC(C)(C)C)CC2)ccc1F,ZJBKOCJGEFTXRQ-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:4:191125:226844,CC(C)(C)OC(=O)N1CCC2(CCc3cc(-c4ccnc(C(=O)C(F)(F)F)c4)ccc32)CC1,KCCCSZRSBLNWJN-UHFFFAOYSA-N
-rxn:4:191130:223279,CC(C)(C)OC(=O)N1CCC2(CCc3ccc(-c4cnc(C5CCCN5)nc4)cc3O2)CC1,PTWDUQDLNBZZFU-UHFFFAOYSA-N
-rxn:4:191130:225294,CCN1CCN(c2ncc(-c3ccc4c(c3)OC3(CC4)CCN(C(=O)OC(C)(C)C)CC3)cn2)CC1,JGYSOEALYAWWJE-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:4:191171:226844,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:4:191173:223179,CONC(=O)c1cc(-c2cccc(C(=O)Oc3cc4c5c(c3)C(C)=CC(C)(C)N5C(=O)C4=O)c2)ccc1F,VXQMWKHRTOQVEX-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:4:191194:224120,Cc1cc(-c2ccc3c4c(cccc24)C(=O)N(c2c(C(C)C)cccc2C(C)C)C3=O)ccc1CO[Si](C)(C)C(C)(C)C,XHXRRSVMHUBYJG-UHFFFAOYSA-N
-rxn:4:191195:223279,CC1C(=O)C(C)(C)N(C(=O)OC(C)(C)C)c2c1cc(-c1cnc(C3CCCN3)nc1)c1c2CCC1,ZEUBDZIDFCLBAE-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:4:191204:226844,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:4:193201:223810,Cc1cc(-c2ccc(C(=O)N3CCCSCC3)o2)cc(C)c1S(=O)(=O)N1CCC(C)CC1,OWFWQXFEABTZAH-UHFFFAOYSA-N
-rxn:4:193235:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3ccc(F)c(C(=O)N4CCOCC4)c3)ccn2)CC1,CXKUFTWVFFPHIT-UHFFFAOYSA-N
-rxn:4:193293:224485,CC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2cc(N3CCCS3(=O)=O)cc(C(F)(F)F)c2)c1,SHPADVSLLSUQNQ-UHFFFAOYSA-N
-rxn:4:193672:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3ccc(N4CCCC4)cc3C3CC3)c2)CC1,WGJBIYQQMUYOOX-UHFFFAOYSA-N
-rxn:4:193775:224647,CC(C)(C)c1cc(-c2cc(O[Si](C)(C)C(C)(C)C)ccc2F)ccc1N1C(=O)C=CC1=O,ACNJVSRBCXVPJP-UHFFFAOYSA-N
-rxn:4:193808:223831,COc1ccc(-c2ccc(Cl)c(CN3CCC(C)CC3)c2)cc1S(=O)(=O)N1CCC(C)CC1,SFTZKLQEOQXWBG-UHFFFAOYSA-N
-rxn:4:193856:224835,CC(c1cccc(-c2cc(C(F)(F)F)nn2S(=O)(=O)N(C)C)c1)N1CCCC(F)(F)C1,DTGKEENIGAPOMI-UHFFFAOYSA-N
-rxn:4:193870:223920,Cc1cc(S(=O)(=O)N2CCCCC2)c(Cl)cc1-c1ccc(C(=O)N(C)C2CCCCC2)cc1Cl,XUGYULJXUAWALC-UHFFFAOYSA-N
-rxn:4:193878:223957,CC(C)(C)[Si](C)(C)OCc1c(F)cc(-c2cc(F)cc(C(=O)N3CCC4(CC3)CC4)c2)cc1F,WGNSOHMOLPNJCZ-UHFFFAOYSA-N
-rxn:4:193934:224588,CC1CCN(Cc2cc(F)cc(-c3ccc(C(=O)N4CC(C)CC(C)C4)c(F)c3)c2)CC1,NYBFINRSFGRRHV-UHFFFAOYSA-N
-rxn:4:193960:223506,Cc1cc(-c2cccc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)c(S(=O)(=O)N2CCCCC2)cc1C,JWYMQAANYJICQL-UHFFFAOYSA-N
-rxn:4:194166:223493,COC(=O)c1c[nH]c2c(-c3cc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)ccc3C)cc(F)cc12,BYJYCCJUFPZALM-UHFFFAOYSA-N
-rxn:4:194677:223557,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc4oc(=O)c(S(=O)(=O)N5CCCCC5)cc4c3)c(F)ccc21,ZFYNBPGJFUJKDD-UHFFFAOYSA-N
-rxn:4:194733:223179,CONC(=O)c1cc(-c2ccc(Cl)c(C(=O)N3C4CCC3CC(=C3CC3)C4)c2)ccc1F,JOFRDKRSXOVRPU-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
-rxn:4:194785:225943,O=C1CC2(CCN(S(=O)(=O)c3ccc(-c4ccc(C(=O)N5CCOCC5)s4)cc3)CC2)Oc2ccccc21,FGLPKTGGMIGSNG-UHFFFAOYSA-N
-rxn:4:194793:223179,CONC(=O)c1cc(-c2ccc(N3C(=O)C4C(c5cccc(F)c5)OC5(C(=O)c6ccccc6C5=O)C4C3=O)cc2)ccc1F,HRFQYRVVKIZAGT-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:4:194800:223179,CONC(=O)c1cc(-c2ccccc2N2C(=O)C3C(c4cccc(C)c4)OC4(C(=O)c5ccccc5C4=O)C3C2=O)ccc1F,ZZOGMFGPRRQBFZ-UHFFFAOYSA-N
-rxn:4:194801:223179,CONC(=O)c1cc(-c2ccccc2C2OC3(C(=O)c4ccccc4C3=O)C3C(=O)N(c4ccc(C)c(C)c4)C(=O)C23)ccc1F,UDOHKFUIYPHRSH-UHFFFAOYSA-N
-rxn:4:196521:223492,Cc1cc(-c2cncc(C3CCCO3)c2)ccc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,NEESKDXDVJBDIH-UHFFFAOYSA-N
-rxn:4:196852:223536,Cc1nc(C2CCCO2)ccc1-c1cc(F)c(F)c(N2CCN(C(=O)OC(C)(C)C)CC2)c1,NPMHQIVAQMYLHJ-UHFFFAOYSA-N
-rxn:4:197206:223541,N#CC1CCc2c(-c3cc(F)c(F)cc3S(=O)(=O)N3CCC4(CC3)OCCO4)cccc21,VXCBYBGSFVLEOU-UHFFFAOYSA-N
-rxn:4:197958:223830,CCN1CCN(S(=O)(=O)c2cc(-c3cccc4c3CCCC4N3CCOCC3)ccc2C)CC1,MOVPSVMJAJNTSO-UHFFFAOYSA-N
-rxn:4:197987:224552,CC1CCCN(C2CCCc3c(-c4cc(F)cc(COC5CCCCC5)c4)cccc32)C1,LPXGBWKMNAKWMW-UHFFFAOYSA-N
-rxn:4:199471:222637,COC(=O)C(C(=O)OC)c1ncc(-c2ccc(C(C)NC(=O)OC(C)(C)C)cc2)cc1[N+](=O)[O-],QROKNDBUJRHIDV-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:4:199486:224970,CCOC(=O)Cn1nc(C(F)F)c(-c2ccc(S[Si](C)(C)C(C)(C)C)cc2)c1C1CC1,ABEIPROAXJDUDW-UHFFFAOYSA-N
-rxn:4:199500:225293,COC(=O)C(C(=O)OC(C)(C)C)c1ncc(-c2ccc(C(F)(F)F)c(OC(C)C)c2)cn1,LSTDEFNRPLAMKQ-UHFFFAOYSA-N
-rxn:4:199518:223179,CONC(=O)c1cc(-c2cnccc2OC2CCN(C(=O)CCC(F)(F)F)C2)ccc1F,FSVOOZDCAWTOLX-UHFFFAOYSA-N
-rxn:4:199518:226844,O=C(CCC(F)(F)F)N1CCC(Oc2ccncc2-c2ccnc(C(=O)C(F)(F)F)c2)C1,BLTAXGLHYWDNSL-UHFFFAOYSA-N
-rxn:4:199554:226844,CC(C)(C)OC(=O)N1CC(Oc2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2C#N)C1,DBOQUJVKNBBJFT-UHFFFAOYSA-N
-rxn:4:199574:223279,O=[N+]([O-])c1ccc(OCCN2CCCC(C(F)(F)F)C2)c(-c2cnc(C3CCCN3)nc2)c1,LPKAIMFRKFLAKW-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:4:199590:222752,Cc1cc(NC(=O)OC(C)(C)C)ccc1-c1ccnc(N(CC(C)C)C(=O)OC(C)(C)C)c1,UYPLYUMGHXPCSU-UHFFFAOYSA-N
-rxn:4:199595:225222,CC1CCCCN1c1cc(-c2cncc(C(=O)OCC(=O)N(C)C3CCCCC3)c2)c(F)cn1,ZGRKAXQAKFYJSQ-UHFFFAOYSA-N
-rxn:4:199597:223279,CN1CCN(CCOc2ccc(OC(F)(F)F)cc2-c2cnc(C3CCCN3)nc2)CC1,FHUMNWQCPLSAQH-UHFFFAOYSA-N
-rxn:4:199622:223279,CCOC(=O)CN1CCN(S(=O)(=O)c2ccc(-c3cnc(C4CCCN4)nc3)cc2)CC1,WDJNWQWVQBTNDA-UHFFFAOYSA-N
-rxn:4:199646:223179,CONC(=O)c1cc(-c2cccc(SCC3CCCN3C(=O)OC(C)(C)C)n2)ccc1F,CCKTWVBPGGAJJT-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:4:199651:226844,CCN1CCN(Cc2cccc(-c3ccnc(C(=O)C(F)(F)F)c3)c2OCC(F)(F)F)CC1,UYFDAIQTAFJBME-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:4:199654:223279,CCOC(=O)N1CCN(S(=O)(=O)c2cc(-c3cnc(C4CCCN4)nc3)ccc2OC)CC1,UTMPKUHBVACPEN-UHFFFAOYSA-N
-rxn:4:199687:223179,CONC(=O)c1cc(-c2cccnc2OC2CCN(C(=O)c3ccc(OC(F)(F)F)cc3)CC2)ccc1F,JOUYNVZUDQJFNQ-UHFFFAOYSA-N
-rxn:4:199688:223179,CONC(=O)c1cc(-c2ccc(OC)cc2C(=O)N2CCC(Oc3cc(C(F)(F)F)ccn3)C2)ccc1F,UTWPHXZPSUWZFO-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:4:199704:223279,COc1cccc(C2CC(c3ccc(-c4cnc(C5CCCN5)nc4)cc3)=NN2C(=O)C(F)(F)F)c1OC,PELYTNAPPFQAEK-UHFFFAOYSA-N
-rxn:4:199707:223279,CC(C)(C)OC(=O)N1CCCC(CSc2cccc(-c3cnc(C4CCCN4)nc3)n2)C1,WHHLPOCKVVMQAA-UHFFFAOYSA-N
-rxn:4:199709:223179,CONC(=O)c1cc(-c2cccc(OCC3CCN(C(=O)OC(C)(C)C)CC3)n2)ccc1F,BBFSOTYVPWFFTR-UHFFFAOYSA-N
-rxn:4:199711:223179,CONC(=O)c1cc(-c2ccc(OCC3CCCN(C(=O)OC(C)(C)C)C3)cn2)ccc1F,VOKWTNWWMJDSGX-UHFFFAOYSA-N
-rxn:4:199712:223179,CCCCOc1cc(S(=O)(=O)N2CCN(C)CC2)ccc1-c1ccc(F)c(C(=O)NOC)c1,BBBUOCHMEHNDNN-UHFFFAOYSA-N
-rxn:4:199712:223279,CCCCOc1cc(S(=O)(=O)N2CCN(C)CC2)ccc1-c1cnc(C2CCCN2)nc1,DFDMPHYMVWSJHL-UHFFFAOYSA-N
-rxn:4:199713:223279,CCCOc1cc(S(=O)(=O)N2CCN(CC)CC2)ccc1-c1cnc(C2CCCN2)nc1,RPTVAXNUZNZNTD-UHFFFAOYSA-N
-rxn:4:199714:223179,CONC(=O)c1cc(-c2ccc(OCC3CCN(C(=O)OC(C)(C)C)CC3)nc2)ccc1F,JYSWNIPMCMOPCK-UHFFFAOYSA-N
-rxn:4:199715:223179,CONC(=O)c1cc(-c2ccc(OCC3CCCN(C(=O)OC(C)(C)C)C3)nc2)ccc1F,WJGBOHRPIZJMEC-UHFFFAOYSA-N
-rxn:4:199716:226844,CC(C)(C)OC(=O)N1CCC(COc2ncccc2-c2ccnc(C(=O)C(F)(F)F)c2)CC1,QBQHOARMBAFMPB-UHFFFAOYSA-N
-rxn:4:199718:223179,CONC(=O)c1cc(-c2cccc(OC(C)C)c2CN2CCN(CC(F)(F)F)CC2)ccc1F,NKIDDTHGQPRJBX-UHFFFAOYSA-N
-rxn:4:199719:223179,CONC(=O)c1cc(-c2cc([N+](=O)[O-])ccc2OC2CCN(C(=O)OC(C)(C)C)CC2)ccc1F,YRFOTCCOQZKKBC-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:4:199737:226844,CCN1CCN(Cc2cccc(-c3ccnc(C(=O)C(F)(F)F)c3)c2OCC2CC2)CC1,XYXHQJDXAMTNDW-UHFFFAOYSA-N
-rxn:4:199738:223279,O=C(CSC1CCCC1)N1CCC(Oc2ncccc2-c2cnc(C3CCCN3)nc2)CC1,KPMGRQHZKNVIPW-UHFFFAOYSA-N
-rxn:4:199740:223179,CONC(=O)c1cc(-c2ccc(CC(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cc2)ccc1F,YLMVLYYWTYGCDG-UHFFFAOYSA-N
-rxn:4:199741:226844,CC(C)(C)OC(=O)N1CCN(C(=O)Cc2cccc(-c3ccnc(C(=O)C(F)(F)F)c3)c2)CC1,RXIBVIAQKXNBBD-UHFFFAOYSA-N
-rxn:4:199757:226844,CN(Cc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1N1CCCC1)C(=O)OC(C)(C)C,HFOPXAFPSPMDFF-UHFFFAOYSA-N
-rxn:4:199760:226844,C[Si](C)(C)CCOC(=O)N1CCN(c2ccccc2-c2ccnc(C(=O)C(F)(F)F)c2)CC1,LOSIWKVXGQUGBO-UHFFFAOYSA-N
-rxn:4:199763:223279,CC(C)(C)OC(=O)N1CCN(CCc2ccc(F)c(-c3cnc(C4CCCN4)nc3)c2)CC1,TWVTYWFYCNEYEX-UHFFFAOYSA-N
-rxn:4:199764:223938,COC(=O)c1cc(-c2cc3cc(Cl)ccc3n2C(=O)OC(C)(C)C)cc(N2CCN(C(=O)OC(C)(C)C)CC2)c1,HBCHVTIUBOBFMU-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:4:199766:223279,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)Cc2ccccc2-c2cnc(C3CCCN3)nc2)CC1,WYYKRVSPPIDEOF-UHFFFAOYSA-N
-rxn:4:199767:226844,COC(=O)C1CCN(c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)c(C(=O)OC(C)(C)C)n2)CC1,YHRXFJJXSDBMMR-UHFFFAOYSA-N
-rxn:4:199769:223179,CONC(=O)c1cc(-c2cc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c(OC)cc2Cl)ccc1F,BFSSFZSPVJEZFR-UHFFFAOYSA-N
-rxn:4:199770:223279,COC(=O)c1cc(F)c(N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1cnc(C2CCCN2)nc1,KTWMHSQNQWNLGN-UHFFFAOYSA-N
-rxn:4:199776:226844,COc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1CCC(=O)N1CCC(N2C(=O)COC2=O)CC1,YPVZVWPSIYMMGL-UHFFFAOYSA-N
-rxn:4:199784:223179,CONC(=O)c1cc(-c2ccc(OC)cc2CN2CCN(C(=O)OC(C)(C)C)CC2)ccc1F,ZIHXVVJHARGWAI-UHFFFAOYSA-N
-rxn:4:199786:223179,CONC(=O)c1cc(-c2cc(CN3CCN(C(=O)OC(C)(C)C)CC3)ccc2OC)ccc1F,YAWBXUMYBSRRCE-UHFFFAOYSA-N
-rxn:4:199786:223279,COc1ccc(CN2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1cnc(C2CCCN2)nc1,QLGXEWDYCBUXOV-UHFFFAOYSA-N
-rxn:4:199790:223179,CONC(=O)c1cc(-c2cc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)ccc2OC)ccc1F,NKLWHJKVJNAFLZ-UHFFFAOYSA-N
-rxn:4:199790:226844,COc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccnc(C(=O)C(F)(F)F)c1,ZFRQEPVSIYZNCA-UHFFFAOYSA-N
-rxn:4:199791:223179,CONC(=O)c1cc(-c2ccc(OC)c(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)ccc1F,BNFKIADXBACNHB-UHFFFAOYSA-N
-rxn:4:199801:223279,CN(C)S(=O)(=O)c1ccc(C(=O)N(c2ccc(-c3cnc(C4CCCN4)nc3)cc2)C2C=CS(=O)(=O)C2)cc1,CMSKFUVCMXXFOM-UHFFFAOYSA-N
-rxn:4:199809:223179,CONC(=O)c1cc(-c2cccc(N(C)C(=O)C3CCN(C(=O)OC(C)(C)C)CC3)c2)ccc1F,JXNAGLXFRHTVEA-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:4:199810:223279,CN(C(=O)C1CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1-c1cnc(C2CCCN2)nc1,WZJFGPBTBCJABB-UHFFFAOYSA-N
-rxn:4:199812:223279,CC1CN(C(=O)Cc2ccc(F)cc2-c2cnc(C3CCCN3)nc2)CCN1C(=O)OC(C)(C)C,RWHQKYIMQMMLCE-UHFFFAOYSA-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:4:199825:226844,CN(Cc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1N1CCCCC1)C(=O)OC(C)(C)C,PFLZDIYJAODZLR-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:4:199829:223179,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:4:199832:223179,CONC(=O)c1cc(-c2ccc(F)cc2CCN2CCN(C(=O)OC(C)(C)C)C(C)C2)ccc1F,ZCNXIFZLZIDJIX-UHFFFAOYSA-N
-rxn:4:199835:223179,CONC(=O)c1cc(-c2cc(CCN3CCN(C(=O)OC(C)(C)C)CC3C)ccc2F)ccc1F,QSVYYHFQKNJFHT-UHFFFAOYSA-N
-rxn:4:199835:223279,CC1CN(C(=O)OC(C)(C)C)CCN1CCc1ccc(F)c(-c2cnc(C3CCCN3)nc2)c1,ZYHYQHJJKYMVPK-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
-rxn:4:199839:223279,COc1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)ccc1-c1cnc(C2CCCN2)nc1,HSYAXZNEXDTAKO-OQHSHRKDSA-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:4:199840:226844,CC(C)(C)OC(=O)N1CC(C(=O)N2CCCC2c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2)C1,CHZCNVDHIFXLCW-UHFFFAOYSA-N
-rxn:4:199845:223179,CONC(=O)c1cc(-c2cc(OC)c(S(=O)(=O)N3CCN(Cc4ccccc4)CC3)cc2OC)ccc1F,VBERGZHTFOZRSV-UHFFFAOYSA-N
-rxn:4:199849:223279,C[C@@H]1CN(S(=O)(=O)c2cc(-c3cnc(C4CCCN4)nc3)cc(C(F)(F)F)c2)CCN1C(=O)OC(C)(C)C,JKEBJSOQOFNKNU-UJONTBEJSA-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
-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:4:199856:224188,Cc1ccc(Sc2c(C)nn(C(C)(C)C)c2OC(=O)c2ccccc2-c2ccc(C(=O)N(C(C)C)C(C)C)cc2Cl)cc1,PDCDGLMWUHIQSE-UHFFFAOYSA-N
-rxn:4:199860:226844,CCCOc1cc(S(=O)(=O)N2CCN(c3ccc(C)cc3)CC2)ccc1-c1ccnc(C(=O)C(F)(F)F)c1,GTMSJUXCFNLXDP-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:4:199867:223179,CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(-c2ccc(F)c(C(=O)NOC)c2)c(C2OCCO2)c1,IDHIIMSTCRZMPI-UHFFFAOYSA-N
-rxn:4:199867:223279,CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(-c2cnc(C3CCCN3)nc2)c(C2OCCO2)c1,CGTWZASZVOYCFL-UHFFFAOYSA-N
-rxn:4:199867:227462,CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(-c2cnc3c(Cl)nccc3c2)c(C2OCCO2)c1,FDDMSEZBHDEYRP-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:4:199879:226844,C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1cc(-c2ccnc(C(=O)C(F)(F)F)c2)cc(C(C)(C)C)c1,MSYFAGSUOICPIH-GOSISDBHSA-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:4:199881:226844,COc1cc(C(=O)N2C(=S)C(c3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3)=NC23CCCCCC3)cc(OC)c1OC,RIGUGJPWVIRSDD-UHFFFAOYSA-N
-rxn:4:199891:222918,CC(C)(C)NS(=O)(=O)c1cccc(-c2cccc3c2c(C(=O)CC#N)cn3C(=O)OC(C)(C)C)c1,WTANLINKNBKCJW-UHFFFAOYSA-N
-rxn:4:199892:222823,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc3c(C(=O)CC#N)cn(C(=O)OC(C)(C)C)c3c2)c(F)c1,JGYRCHLNHRASLL-UHFFFAOYSA-N
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-rxn:4:199981:223279,CCCCCCN1C(=O)C(=C2C(=O)N(CC)c3ccc(-c4cnc(C5CCCN5)nc4)cc32)SC1=S,LKGSEVUSNZWUJN-UHFFFAOYSA-N
-rxn:4:199989:226844,CCOC(=O)c1c(CN2CCOCC2)n(C)c2cc(-c3ccnc(C(=O)C(F)(F)F)c3)c(OC)cc12,FKINTIAWKDPYDW-UHFFFAOYSA-N
-rxn:4:199993:223279,CCOC(=O)C1=C(C)N=C2SC(CC)C(=O)N2C1c1cc(-c2cnc(C3CCCN3)nc2)ccc1OC,IPSUSOHUHFJVIG-UHFFFAOYSA-N
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-rxn:4:199999:224863,CC(C)N(Cc1ccccc1-c1ccc2c(=NC(=O)OC(C)(C)C)n(C(=O)OC(C)(C)C)ccc2c1)C(C)C,IZLNXXNSSNQCFW-UHFFFAOYSA-N
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-rxn:4:200018:223279,CCCCN1C(=O)C(=C2SC(=S)N(CCc3ccccc3)C2=O)c2cc(-c3cnc(C4CCCN4)nc3)ccc21,QMHHNGMHOMGVCT-UHFFFAOYSA-N
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-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
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-rxn:4:200212:223670,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2ccc(OCCCN3CCC3)nc2F)CC1,WXTAUDMRSXBUAA-UHFFFAOYSA-N
-rxn:4:200215:222461,CC(C)(C)OC(=O)Nc1nc2c(-c3ccc(C(C#N)C(=O)OC(C)(C)C)nc3)c(F)cc(F)c2s1,AOCICOKQQAMMSZ-UHFFFAOYSA-N
-rxn:4:200215:224188,CC(C)N(C(=O)c1ccc(-c2ccc(C(C#N)C(=O)OC(C)(C)C)nc2)c(Cl)c1)C(C)C,UBWCZFYUOVZRKX-UHFFFAOYSA-N
-rxn:4:200283:224904,O=C(c1ccc(-c2cc([N+](=O)[O-])ccc2OCCN2CCC(F)(F)C2)cc1)C1CCCCC1,GKYXMXYEBFBNBI-UHFFFAOYSA-N
-rxn:4:200338:225210,Cc1nc(N2CCC(C)CC2)ncc1-c1ccc(OC2CN(C(=O)OC(C)(C)C)C2)nc1,LAXDGKFZGJFMQP-UHFFFAOYSA-N
-rxn:4:200372:223279,O=C(CCc1ccccc1-c1cnc(C2CCCN2)nc1)N1CC(N2C(=O)CSC2=O)C1,HIDMUYQXTRENTB-UHFFFAOYSA-N
-rxn:4:200386:223179,CONC(=O)c1cc(-c2ccc(CC(=O)N3CC(CN4C(=O)COC4=O)C3)cc2)ccc1F,AXDSVRCVRSOIET-UHFFFAOYSA-N
-rxn:4:200425:222439,CCOC(=O)C1CCN(Cc2ccc(-c3ccc(S(=O)(=O)NC4CCCCC4)cc3C(F)(F)F)nc2)CC1,CHIQXZHLGYXZAH-UHFFFAOYSA-N
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-rxn:4:200474:223179,CONC(=O)c1cc(-c2csc(OC3CCN(C(=O)OC(C)(C)C)CC3)n2)ccc1F,SLOQUJMSXALGNG-UHFFFAOYSA-N
-rxn:4:200475:225883,COCCN1CCN(S(=O)(=O)c2ccc(-c3cnc(C4CCOCC4)c(Cl)c3)cc2)CC1,ZZYNVYUUFUNKMN-UHFFFAOYSA-N
-rxn:4:200482:223179,CCN1CCN(Cc2ccc(OC(F)(F)F)c(-c3ccc(F)c(C(=O)NOC)c3)c2)CC1,YLQANHOFLDWTAK-UHFFFAOYSA-N
-rxn:4:200492:223279,O=C(CCc1ccccc1-c1cnc(C2CCCN2)nc1)N1CC(N2C(=O)CCC2=O)C1,VSQDJPNNWLEOHB-UHFFFAOYSA-N
-rxn:4:200513:222439,O=C(c1cc(-c2ccc(S(=O)(=O)NC3CCCCC3)cc2C(F)(F)F)ccc1Cl)N1CCC(Oc2cc(C(F)(F)F)ccn2)C1,LFZJFJAJPWIOHE-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:4:200560:223179,CONC(=O)c1cc(-c2ccoc2CN2CCN(C(=O)OC(C)(C)C)CC2)ccc1F,RJJWIXQPQGTAKV-UHFFFAOYSA-N
-rxn:4:200561:223055,CCN1CCN(Cc2ccc(-c3ccc(N4CCNCC4)nc3C)cc2C(=O)OC)CC1,BBXKHHSLCHQPOI-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
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-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:4:200580:224485,CC(SC1=NCCN1S(=O)(=O)c1ccc(-c2ccn([Si](C(C)C)(C(C)C)C(C)C)c2)cc1)c1ccccc1,ICPQZUVYFVJVFU-UHFFFAOYSA-N
-rxn:4:200595:223179,CONC(=O)c1cc(-c2ccc(OC3CCN(C(=O)OC(C)(C)C)CC3)cn2)ccc1F,UMSCHGOPCLKNRX-UHFFFAOYSA-N
-rxn:4:200596:223179,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
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-rxn:4:200600:226844,CCCOc1cc(S(=O)(=O)N2CCN(C)CC2)ccc1-c1ccnc(C(=O)C(F)(F)F)c1,PNLWHWHMMDWYCQ-UHFFFAOYSA-N
-rxn:4:200604:223179,CONC(=O)c1cc(-c2cncc(O[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)c2)ccc1F,IZCWCYRXSXVWJJ-QGZVFWFLSA-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:4:200606:226844,CCN1CCN(C(=O)c2c(OC)cc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2OC)CC1,RBSZATNWUWYATC-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:4:200627:223279,CC(C)(C)OC(=O)N1CCOC(c2ccc(-c3cnc(C4CCCN4)nc3)c(C(F)(F)F)n2)C1,FODMOJGCZPFQBY-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:4:200644:223179,CCN1CCN(S(=O)(=O)c2cc(OC)c(-c3ccc(F)c(C(=O)NOC)c3)cc2OC)CC1,DCQUKLLNVWMHGH-UHFFFAOYSA-N
-rxn:4:200653:223279,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cnc(C4CCCN4)nc3)cc2)C(=O)C1,UVVIOEGFXNGSAQ-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:4:200656:223279,CC(C)(C)OC(=O)N1CCC(c2ccc(C#N)c(-c3cnc(C4CCCN4)nc3)c2)CC1,ZGSXPURISQAROS-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:4:200662:223179,CONC(=O)c1cc(-c2ccccc2CCC(=O)N2CCC(N3C(=O)CSC3=O)CC2)ccc1F,CEJBUHJRXCHHFA-UHFFFAOYSA-N
-rxn:4:200671:223179,CONC(=O)c1cc(-c2ccccc2CCC(=O)N2CCC(N3C(=O)COC3=O)CC2)ccc1F,QTZAEBQKSASZFT-UHFFFAOYSA-N
-rxn:4:200691:226844,CC(C)CN(c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1[N+](=O)[O-])C1CCCCC1,SCFMOZMAMCPXNZ-UHFFFAOYSA-N
-rxn:4:200692:223179,CONC(=O)c1cc(-c2ccc(N3CCN(CC(=O)OC(C)(C)C)CC3)cc2)ccc1F,MOOWNDIENYHZHU-UHFFFAOYSA-N
-rxn:4:200692:226844,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:4:200697:223179,CONC(=O)c1cc(-c2ccccc2CN2CCN(C(=O)OC(C)(C)C)CC2)ccc1F,ZCDWLJQTVYBMTO-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:4:200700:226844,CC(C)(C)OC(=O)N1CCN(Cc2cc(Cl)cc(-c3ccnc(C(=O)C(F)(F)F)c3)c2)CC1,ICCMBTVMTGLMHT-UHFFFAOYSA-N
-rxn:4:200701:223166,CC(C)(C)OC(=O)N1CCN(Cc2ccc(Cl)cc2-c2ccc(N3CCNCC3)nc2)CC1,VCLBIWBYNUGOHC-UHFFFAOYSA-N
-rxn:4:200705:225975,CC(C)(C)OC(=O)N1CCN(Cc2cccc(-c3ccnc(N4CCOCC4)c3Cl)c2Cl)CC1,WHEIFWJGXVXRCP-UHFFFAOYSA-N
-rxn:4:200706:222947,CC(C)(C)OC(=O)N1CCN(Cc2ccc(F)cc2-c2cnc(N3CCCC(O)C3)nc2Cl)CC1,LDSYKLVNUQCXLR-UHFFFAOYSA-N
-rxn:4:200706:223179,CONC(=O)c1cc(-c2cc(F)ccc2CN2CCN(C(=O)OC(C)(C)C)CC2)ccc1F,ZTGAHBDLSLGPBG-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:4:200707:223279,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cnc(C4CCCN4)nc3)cc2F)CC1,CZKUSCCSZPGQLR-UHFFFAOYSA-N
-rxn:4:200709:223279,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3cnc(C4CCCN4)nc3)ccc2F)CC1,DVLURFHHMGFCRY-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:4:200710:223279,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)cc(-c3cnc(C4CCCN4)nc3)c2)CC1,XJBXAMUXEQAMHN-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:4:200713:226844,CC(C)(C)OC(=O)N1CCN(Cc2cccc(-c3ccnc(C(=O)C(F)(F)F)c3)c2F)CC1,YWVVYSUCFWEKSN-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:4:200715:226844,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:4:200716:226844,CCOC(=O)N1CCN(S(=O)(=O)c2cc(C)c(C)cc2-c2ccnc(C(=O)C(F)(F)F)c2)CC1,ZYURDTXEHMASKX-UHFFFAOYSA-N
-rxn:4:200717:223279,CCOC(=O)N1CCN(S(=O)(=O)c2cc(C)c(-c3cnc(C4CCCN4)nc3)cc2C)CC1,OQPGCJBZVZZDME-UHFFFAOYSA-N
-rxn:4:200717:224603,CCOC(=O)N1CCN(S(=O)(=O)c2cc(C)c(-c3cccc4c3cnn4C3CCCCO3)cc2C)CC1,MHLQAVHCGSWALC-UHFFFAOYSA-N
-rxn:4:200719:227628,CCOC(=O)N1CCN(S(=O)(=O)c2cc(-c3cnc(C4CCC4)nc3Cl)c(C)cc2C)CC1,QQLKFJDZLKYMHX-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:4:200726:223179,CONC(=O)c1cc(-c2cc(C(F)(F)F)ccc2N2CCN(C(=O)OC(C)(C)C)CC2)ccc1F,DFOSQHJPBZTMBD-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:4:200735:226844,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:4:200740:226844,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:4:200758:226844,COc1cc(-c2ccnc(C(=O)C(F)(F)F)c2)cc(OC)c1C(=O)N1CCN(C(C)C)CC1,SVMUTUMHXURSCF-UHFFFAOYSA-N
-rxn:4:200759:223279,COC1CCN(c2ccc(-c3cnc(C4CCCN4)nc3)c(C(=O)OC(C)(C)C)n2)CC1,RLIZOTOSDBFCSV-UHFFFAOYSA-N
-rxn:4:200763:223179,CONC(=O)c1cc(-c2cnc(OC)c(C3CCN(C(=O)OC(C)(C)C)CC3)c2)ccc1F,UXRZPDZHQMPRDS-UHFFFAOYSA-N
-rxn:4:200764:223279,CC(C)(C)OC(=O)N1CC2(CN(Cc3ccc(-c4cnc(C5CCCN5)nc4)cc3F)C2)C1,JFAHZPJDNGOWSE-UHFFFAOYSA-N
-rxn:4:200781:223179,CONC(=O)c1cc(-c2cc(C)ccc2C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)ccc1F,HSLQTFWNLYXBJD-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:4:200787:223538,C[C@H]1CN(C(=O)c2ccc(-c3ccnc4c3cc(C(F)F)n4S(=O)(=O)c3ccccc3)c(Cl)c2)CCN1C(=O)OC(C)(C)C,AAJLVIQZYJJNCP-IBGZPJMESA-N
-rxn:4:200787:224609,CC(C)N(C(=O)c1ccncc1-c1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)cc1Cl)C(C)C,GTYLIMGPTQSWTQ-FQEVSTJZSA-N
-rxn:4:200790:223078,CCNS(=O)(=O)c1ccc(-c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)[C@H](C)C3)cc2F)c(C)c1,UBTVZAONEZFBAD-GOSISDBHSA-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:4:200790:226844,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:4:200804:223179,CONC(=O)c1cc(-c2ccc(C3=NC(C)(C)N(C(=O)c4ccc(OC)c(OC)c4)C3=S)cc2)ccc1F,GGXNTUIYJSSVFN-UHFFFAOYSA-N
-rxn:4:200811:226844,CN1CCN(C(=O)COc2ccc(C(C)(C)C)cc2-c2ccnc(C(=O)C(F)(F)F)c2)CC1,UGXLXNHKSRCHCH-UHFFFAOYSA-N
-rxn:4:200814:223179,CONC(=O)c1cc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)c(C)c2)ccc1F,YTHVIURCYVRJCV-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:4:200815:223179,CONC(=O)c1cc(-c2cccc(C(C)N3CCN(C(=O)OC(C)(C)C)CC3)c2)ccc1F,PHGMEBGKCIHJCU-UHFFFAOYSA-N
-rxn:4:200815:223279,CC(c1cccc(-c2cnc(C3CCCN3)nc2)c1)N1CCN(C(=O)OC(C)(C)C)CC1,PWNYPTNTTDMEEH-UHFFFAOYSA-N
-rxn:4:200818:222912,CC(C)CNS(=O)(=O)c1ccc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)[C@@H](C)C3)cc2Cl)cc1,HOWGZRDFIIPPIC-FQEVSTJZSA-N
-rxn:4:200818:223072,CCCNS(=O)(=O)c1ccc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)[C@@H](C)C3)cc2Cl)cc1,QUWMCGTYULRUTN-IBGZPJMESA-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:4:200821:223279,CC(C)(C)OC(=O)N1CCCN(S(=O)(=O)c2ccc(-c3cnc(C4CCCN4)nc3)cc2)CC1,XJNJLONBTPZMNT-UHFFFAOYSA-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:4:200822:223279,CC(C)(C)OC(=O)N1CCCN(S(=O)(=O)c2cccc(-c3cnc(C4CCCN4)nc3)c2)CC1,HINQTVAFQIPFJU-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:4:200826:223279,Cc1cc(-c2cnc(C3CCCN3)nc2)cc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1,QZTCFNKQGUBKBD-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:4:200827:223279,CC1CN(S(=O)(=O)c2cc(-c3cnc(C4CCCN4)nc3)c(F)cc2F)CCN1C(=O)OC(C)(C)C,XGGJFMKEXZYRCX-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:4:200828:226844,CC1CN(C(=O)OC(C)(C)C)CCN1S(=O)(=O)c1cc(-c2ccnc(C(=O)C(F)(F)F)c2)c(F)cc1F,OTRSOCQJYQEFSG-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:4:200835:223279,O=C1N=C(N2CCOCC2)SC1=Cc1cc(-c2cnc(C3CCCN3)nc2)ccc1OCc1ccc(Cl)cc1,KAKWEAOHPZBLSM-UHFFFAOYSA-N
-rxn:4:200837:223279,O=C(CCc1ccccc1-c1cnc(C2CCCN2)nc1)N1CCCN(C2CCSC2)CC1,FZBUQYVXJKNOTH-UHFFFAOYSA-N
-rxn:4:200838:223179,CONC(=O)c1cc(-c2ccccc2CCC(=O)N2CCCN(C3CCOC3)CC2)ccc1F,SEZCSGKGOZRZRY-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:4:200843:226844,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)c(C3CC3)c2)CC1,FLCJBQJDHSVLRO-UHFFFAOYSA-N
-rxn:4:200844:223179,CONC(=O)c1cc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c(C3CC3)c2)ccc1F,ADNYUGZXFMFNEE-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:4:200846:226844,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:4:200853:223279,COC(=O)C1CCN(Cc2ccc(-c3cnc(C4CCCN4)nc3)cc2N2CCOCC2)CC1,FXGOHNYBTXCHMJ-UHFFFAOYSA-N
-rxn:4:200860:225213,CCOc1cc(S(=O)(=O)N2CCN(c3ccc(C)cc3)CC2)ccc1-c1ccc(N2CCN(C)CC2)cc1Cl,IXNJACOESBAEGT-UHFFFAOYSA-N
-rxn:4:200862:223179,CCOc1ccc(-c2ccc(F)c(C(=O)NOC)c2)cc1S(=O)(=O)N1CCN(c2ccc(C)c(Cl)c2)CC1,MABMQHNQVPCVHI-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:4:200863:223279,Cc1cc(CN2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)ccc1-c1cnc(C2CCCN2)nc1,GSJQNHLTGDSOJL-HSTJUUNISA-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:4:200865:226844,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:4:200867:223179,CONC(=O)c1cc(-c2ccccc2C(C)N2CCN(C(=O)OC(C)(C)C)CC2C)ccc1F,YXSCDWVRLAVZPK-UHFFFAOYSA-N
-rxn:4:200867:226844,CC1CN(C(=O)OC(C)(C)C)CCN1C(C)c1ccccc1-c1ccnc(C(=O)C(F)(F)F)c1,NMBWUVBKGMHRAE-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:4:200872:223179,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:4:200876:223179,CONC(=O)c1cc(-c2ccc(C3=NC4(CCCC4)N(C(=O)c4ccc(OC)c(OC)c4)C3=S)cc2)ccc1F,UNUZTKQKRGRCGQ-UHFFFAOYSA-N
-rxn:4:200876:223279,COc1ccc(C(=O)N2C(=S)C(c3ccc(-c4cnc(C5CCCN5)nc4)cc3)=NC23CCCC3)cc1OC,OLGWMMWMDGNGHZ-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:4:200879:223279,COc1ccc(-c2cnc(C3CCCN3)nc2)cc1CN1CCCC(C(=O)N2CCCCC2)C1,HWQMQYDRTMAXGZ-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:4:200885:223179,CONC(=O)c1cc(-c2ccc(CN3CCC(C(=O)OC)CC3)c(N3CCCCC3)c2)ccc1F,XRSFJPNZGVEJRA-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:4:200890:223993,CCOc1ccc(-c2ccc(S(=O)(=O)N3CCN(C)CC3)c(C)c2)cc1S(=O)(=O)N1CCN(c2ccc(C)c(C)c2)CC1,TULZELHIQDPGOE-UHFFFAOYSA-N
-rxn:4:200890:226844,CCOc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1S(=O)(=O)N1CCN(c2ccc(C)c(C)c2)CC1,WINDXBBGJZIIES-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:4:200891:226844,CCOc1ccccc1N1CCN(S(=O)(=O)c2cc(C)c(-c3ccnc(C(=O)C(F)(F)F)c3)cc2C)CC1,IEEZJXLXATXFCS-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:4:200895:225725,CCOC(=O)c1ccc(C#N)c(-c2ccc(C(=O)N3CCCCC3CCN3CCCCCC3)cc2)c1,YJDIHBCMVOAOLX-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:4:200903:226844,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:4:201057:223179,CCCCCN1C(=O)C(=C2C(=O)N(CC)c3ccc(-c4ccc(F)c(C(=O)NOC)c4)cc32)SC1=S,IIYSWZCQBVQNGO-UHFFFAOYSA-N
-rxn:4:201058:223279,CCOC(=O)C1=C(C)N=C2SC(CC)C(=O)N2C1c1cccc(-c2cnc(C3CCCN3)nc2)c1,YVDZUEZQCVKLEU-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:4:201069:223179,CONC(=O)c1cc(-c2cc([N+](=O)[O-])c(OC)c3c2CCN(C(=O)OC(C)(C)C)CC3)ccc1F,FXUAUJLWJPLQJP-UHFFFAOYSA-N
-rxn:4:201071:226844,CCOC(=O)C1=C(C)N=C2SCCC(=O)N2C1c1cc(-c2ccnc(C(=O)C(F)(F)F)c2)ccc1OC,OTOONCBOQGHNAL-UHFFFAOYSA-N
-rxn:4:201072:223179,CCC1SC2=NC(C)=C(C(=O)OC)C(c3cc(-c4ccc(F)c(C(=O)NOC)c4)ccc3OC)N2C1=O,PUUDFZUUINRWHB-UHFFFAOYSA-N
-rxn:4:201081:223279,CCCCN1C(=O)C(=C2SC(=S)N(Cc3ccco3)C2=O)c2cc(-c3cnc(C4CCCN4)nc3)ccc21,ZUNODKFSDPZQRS-UHFFFAOYSA-N
-rxn:4:201098:223279,CCCCN1C(=O)C(=C2SC(=S)N(CC(C)C)C2=O)c2cc(-c3cnc(C4CCCN4)nc3)ccc21,CLDSIDPKQUVSBB-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:4:201102:223279,CC1=C(C(=O)OCC(C)C)C(c2ccccc2-c2cnc(C3CCCN3)nc2)N2C(=O)CCSC2=N1,RBNUNZWZTUOPAP-UHFFFAOYSA-N
-rxn:4:201102:228891,CC1=C(C(=O)OCC(C)C)C(c2ccccc2-c2cncc(Cl)c2C#N)N2C(=O)CCSC2=N1,SVWAZDOZOLHMDL-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:4:201113:223179,CONC(=O)c1cc(-c2ccc(OC)c(C3C(C(=O)OC(C)C)=C(C)N=C4SCCC(=O)N43)c2)ccc1F,XOSRVHIDUQXMPC-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:4:201133:223179,CONC(=O)c1cc(-c2ccc3c(c2)CN(CC2CCN(C(=O)OC(C)(C)C)CC2)C3=O)ccc1F,FGYFYHGAIKRLNE-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:4:201134:223179,CONC(=O)c1cc(-c2ccc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c3ccccc23)ccc1F,HLKBNTWWZRIIHR-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:4:201144:223279,CC(C)(C)OC(=O)N1CCC(CN2C(=O)COc3ccc(-c4cnc(C5CCCN5)nc4)cc32)CC1,QSNYKAADIUQWNI-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:4:201151:223179,CONC(=O)c1cc(-c2ccc3c(c2)CCN(CC2CCCN(C(=O)OC(C)(C)C)C2)C3)ccc1F,LAXPPAKGBPLMRA-UHFFFAOYSA-N
-rxn:4:201154:224421,CC(C)c1cc(C(C)C)c(-c2ccc(C3(C)CC(C)(C)N(C(=O)CSc4nc5ccccc5s4)c4ccccc43)cc2)c(C(C)C)c1,MTMLMOGHHGYAGL-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:4:201188:226844,COc1ccc2c(=O)c3c(oc2c1)C(=O)N(CCN1CCOCC1)C3c1cccc(-c2ccnc(C(=O)C(F)(F)F)c2)c1,JWAUSIIZGZHFGT-UHFFFAOYSA-N
-rxn:4:201189:223179,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:4:201231:223792,COC(=O)c1cc(-c2ccc(C(=O)N3CCC(C(=O)OC)CC3)cc2)nn1CC(F)F,VTBRPIBNEKCGDP-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:4:201604:223557,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3nc(Cl)ccc3N(C)C(=O)OC(C)(C)C)c(F)ccc21,SITHETBWVNKCDZ-UHFFFAOYSA-N
-rxn:4:201644:224082,CCC(C(=O)OC(C)(C)C)c1cccc(-c2cc(C3CN(C(=O)OC(C)(C)C)C3)on2)c1,ZCGKAJSNKAEZMO-UHFFFAOYSA-N
-rxn:4:201813:225748,COC(=O)C1CCN(S(=O)(=O)c2cncc(-c3ccncc3OCC3CCCO3)c2)CC1,YEESYGLKZMXUDA-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:4:201817:223179,CONC(=O)c1cc(-c2ccc(N3CCC(C(F)(F)F)CC3)nc2C(=O)OC)ccc1F,LOEGXSGCVWCAAY-UHFFFAOYSA-N
-rxn:4:201858:223179,CONC(=O)c1cc(-c2cccc(C(=O)N3CC(CN4C(=O)CCC4=O)C3)c2)ccc1F,KNAIUQGWZKAYOY-UHFFFAOYSA-N
-rxn:4:201861:223279,COc1cc(N2CCCC(C(F)(F)F)C2)c(-c2cnc(C3CCCN3)nc2)cc1[N+](=O)[O-],WCKFBZHQJDZLGF-UHFFFAOYSA-N
-rxn:4:201932:222722,CC(C)(C)OC(=O)N1CCC(c2cc(-c3cccc(S(=O)(=O)N4CCC(O)CC4)c3)ccn2)C1,BDMRZMLNMMMLFT-UHFFFAOYSA-N
-rxn:4:201947:223774,COc1cccc2c1cc(-c1cnc(N3CCCC3)c(C(=O)OC(C)(C)C)c1)n2C(=O)OC(C)(C)C,SCJXHLILDQXIFD-UHFFFAOYSA-N
-rxn:4:201969:223179,CONC(=O)c1cc(-c2ccc(OC)cc2C(=O)N2CCC(N3C(=O)CSC3=O)C2)ccc1F,VKEVGWWHGDZZKF-UHFFFAOYSA-N
-rxn:4:201969:226844,COc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)c(C(=O)N2CCC(N3C(=O)CSC3=O)C2)c1,GDLLIATULPZRRF-UHFFFAOYSA-N
-rxn:4:201979:226844,COc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)c(C(=O)N2CCC(N3C(=O)COC3=O)C2)c1,WLBOJPCCPKUKPC-UHFFFAOYSA-N
-rxn:4:202069:226058,CC(C)c1cccc(C(C)C)c1-c1cncc(C(=O)N2CCC(S(=O)(=O)C(C)(C)C)C2)c1,FGEGFLZUHKQVSR-UHFFFAOYSA-N
-rxn:4:202085:222624,Cc1cc(F)ccc1S(=O)(=O)N1CCC(Oc2ncccc2-c2cc(CC(C)C)nc(C3CCNCC3)c2)C1,FHKRGOMAHDWFNQ-UHFFFAOYSA-N
-rxn:4:202095:223179,CONC(=O)c1cc(-c2sc(C3CCN(C(=O)OC(C)(C)C)CC3)nc2C)ccc1F,KLMLDFALFPNZGZ-UHFFFAOYSA-N
-rxn:4:202105:225640,CC1CCCCN1c1cc(-c2ccc(C3CCCN(C(=O)OC(C)(C)C)C3)cn2)ccn1,DORWHLYUQREQCD-UHFFFAOYSA-N
-rxn:4:202129:225613,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3ccnc(OC4CCCCC4)c3)c(F)n2)CC1,OCRDSHALFPJNIL-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:4:202130:226844,CC(C)(C)OC(=O)N1CCCC(c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)c(F)n2)C1,ICZLONUQNYZZSZ-UHFFFAOYSA-N
-rxn:4:202139:223179,CONC(=O)c1cc(-c2ccc(CN3CCC(N(C)C)CC3)cc2C(F)(F)F)ccc1F,QIMOJLMKXUIJQE-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:4:202141:223179,CONC(=O)c1cc(-c2ccc(C(F)(F)F)cc2CN2CCN(C(C)C)CC2)ccc1F,HWMCGEAZOUINJX-UHFFFAOYSA-N
-rxn:4:202146:225869,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc(N4CCOCC4)c(Cl)c3)c(F)c2F)CC1,FBSUYRWWEQJUOO-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:4:202175:223279,O=C(C1CCCN1S(=O)(=O)c1ccc(-c2cnc(C3CCCN3)nc2)cc1)N1CCOCC1,UUIICFPVQMHYBS-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:4:202197:226844,O=C(C1CN(Cc2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2)CCO1)N1CCSCC1,DVHWWKBHHIQRGO-UHFFFAOYSA-N
-rxn:4:202198:223179,CONC(=O)c1cc(-c2cccc(CN3CCOC(C(=O)N4CCSCC4)C3)c2)ccc1F,MKMSLSXMPNDMCV-UHFFFAOYSA-N
-rxn:4:202199:223279,O=C(C1CN(Cc2ccccc2-c2cnc(C3CCCN3)nc2)CCO1)N1CCSCC1,RUNRACFPBIJFKH-UHFFFAOYSA-N
-rxn:4:202200:223179,CONC(=O)c1cc(-c2ccc(CN3CCOC(C(=O)N4CCOCC4)C3)cc2)ccc1F,OKYNVPUJUVMWCY-UHFFFAOYSA-N
-rxn:4:202200:223279,O=C(C1CN(Cc2ccc(-c3cnc(C4CCCN4)nc3)cc2)CCO1)N1CCOCC1,ORTZYEXGYHANON-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:4:202224:223179,CONC(=O)c1cc(-c2ccc(C3CCN(C(=O)OC(C)(C)C)CC3C)cn2)ccc1F,LJOISBZETSZQCU-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:4:202226:223179,CONC(=O)c1cc(-c2cc(C3CCCN(C(=O)OC(C)(C)C)C3)cc(C)n2)ccc1F,JVQAAPRRSFIASY-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:4:202232:226844,CC1CCN(c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)c(C(=O)OC(C)(C)C)n2)CC1,UANQWJANQZGSRQ-UHFFFAOYSA-N
-rxn:4:202235:226844,Cc1cc(-c2ccnc(C(=O)C(F)(F)F)c2)cc(N2CCN(C(=O)OC(C)(C)C)CC2)c1,NLVZGBLCNOXYGX-UHFFFAOYSA-N
-rxn:4:202237:226844,CC1CN(C(=O)OC(C)(C)C)CCC1c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cn1,JLUIHRNJKMJGHA-UHFFFAOYSA-N
-rxn:4:202264:223279,O=C(c1cccc(-c2cnc(C3CCCN3)nc2)c1)N1CCCSCC1CN1CCCC1,PNJZZGNTDLFPAB-UHFFFAOYSA-N
-rxn:4:202266:223179,CONC(=O)c1cc(-c2ccc(CN3CCOC(C(=O)N4CCCCC4)C3)cc2)ccc1F,AAMRBRDVAWMOCD-UHFFFAOYSA-N
-rxn:4:202266:223279,O=C(C1CN(Cc2ccc(-c3cnc(C4CCCN4)nc3)cc2)CCO1)N1CCCCC1,ZETFWBJILHDYEK-UHFFFAOYSA-N
-rxn:4:202269:223179,CONC(=O)c1cc(-c2ccccc2CN2CCCC(C(=O)N3CCSCC3)C2)ccc1F,CGJYZKQKWAKOHM-UHFFFAOYSA-N
-rxn:4:202269:223279,O=C(C1CCCN(Cc2ccccc2-c2cnc(C3CCCN3)nc2)C1)N1CCSCC1,UBQXXDUGNCOSIH-UHFFFAOYSA-N
-rxn:4:202270:223279,O=C(C1CCCN(Cc2cccc(-c3cnc(C4CCCN4)nc3)c2)C1)N1CCOCC1,NGXLXUZEEFNOJM-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:4:202273:222828,O=C(C1CCCN(Cc2cccc(-c3cc(F)c(F)cc3S(=O)(=O)NC3CC3)c2)C1)N1CCSCC1,OTPQUSCHAMUVRW-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:4:202284:222924,COc1ccc(-c2ccc(C)c(S(=O)(=O)NC(C)C)c2)cc1CN1CCC(N2CCCC2)CC1,SETHRBHKIFCJQU-UHFFFAOYSA-N
-rxn:4:202285:223179,CONC(=O)c1cc(-c2ccc(CN3CCC(OC)CC3)c(N3CCCC3)c2)ccc1F,YXTMHJAHGJKARO-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:4:202286:223879,CCCc1ccc(-c2ccc(-c3cc(C(C)C)c(S(=O)(=O)N4CCN(C(C)=O)CC4)cc3C)c(F)c2F)cc1,UMJWAPWGXKUDLP-UHFFFAOYSA-N
-rxn:4:202287:226844,O=C(c1ccccc1-c1ccnc(C(=O)C(F)(F)F)c1)N1CCCSCC1CN1CCOCC1,VNSFHXPUOGEVIA-UHFFFAOYSA-N
-rxn:4:202288:226844,O=C(c1cccc(-c2ccnc(C(=O)C(F)(F)F)c2)c1)N1CCCSCC1CN1CCOCC1,QNEHVDBMOASBBR-UHFFFAOYSA-N
-rxn:4:202290:226921,COC1CCN(C2CCN(S(=O)(=O)c3ccc(-c4cc(C5CC5)c(C)cc4C)cc3)CC2)C1,JJVCJILGAKTZCH-UHFFFAOYSA-N
-rxn:4:202292:223179,CONC(=O)c1cc(-c2ccc(CN3CCC(C(F)(F)F)CC3)c(N3CCOCC3)c2)ccc1F,JCEXHDPVHFYLQT-UHFFFAOYSA-N
-rxn:4:202292:223279,FC(F)(F)C1CCN(Cc2ccc(-c3cnc(C4CCCN4)nc3)cc2N2CCOCC2)CC1,KIWMNAOAPALETF-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:4:202308:226844,Cc1c(-c2ccnc(C(=O)C(F)(F)F)c2)cccc1N1CCN(C(=O)OC(C)(C)C)C(C)C1,BZLXOFXCLUNYIB-UHFFFAOYSA-N
-rxn:4:202310:228880,N#Cc1cc(-c2ccc(S(=O)(=O)N3CCCSCC3CN3CCOCC3)cc2)cc(Cl)n1,CEQHDYNHSRWLSH-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:4:202320:226844,CC(C)(C)[Si](C)(C)ON1CCN(c2cc(F)cc(-c3ccnc(C(=O)C(F)(F)F)c3)c2)CC1,GRHPICYUOFZIFT-UHFFFAOYSA-N
-rxn:4:202322:223179,CONC(=O)c1cc(-c2ccc(CN3CCC(C(F)(F)F)CC3)c(N3CCCCC3)c2)ccc1F,GJWFEWBHGXPJTM-UHFFFAOYSA-N
-rxn:4:202327:223179,CONC(=O)c1cc(-c2ccc(CN(C)C3CCCCC3)c(N3CCOCC3)c2)ccc1F,DCMDHBNRFGCSEP-UHFFFAOYSA-N
-rxn:4:202327:223279,CN(Cc1ccc(-c2cnc(C3CCCN3)nc2)cc1N1CCOCC1)C1CCCCC1,VLDHKACOJUYALF-UHFFFAOYSA-N
-rxn:4:202328:223279,COC1CCN(C2CCN(S(=O)(=O)c3ccccc3-c3cnc(C4CCCN4)nc3)CC2)CC1,KARJVVWBWGEJNR-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:4:202341:226844,CC(C)N1CCN(Cc2cc(-c3ccnc(C(=O)C(F)(F)F)c3)cc(C(C)(C)C)c2)CC1,LSVJXIRRFDMHMY-UHFFFAOYSA-N
-rxn:4:202344:223842,COc1cc(S(=O)(=O)N2CCN(c3c(C)cc(C)cc3C)CC2)ccc1-c1cc(F)c(F)cc1S(=O)(=O)N1CCC(C)CC1,YHMYCULCGSHEPP-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:4:202351:223179,CONC(=O)c1cc(-c2ccc(C(=O)N3CCC4(CC3)OCCN4S(=O)(=O)c3ccc(F)c(C)c3)cc2)ccc1F,IBJMHZDVCHUKLI-UHFFFAOYSA-N
-rxn:4:202355:223179,CCc1ccccc1N1CCN(S(=O)(=O)c2c(C)cc(C)c(-c3ccc(F)c(C(=O)NOC)c3)c2C)CC1,WAHIINYWPPJTPT-UHFFFAOYSA-N
-rxn:4:202518:225572,COC(=O)c1ccc(C2CC2)cc1-c1nc2c(s1)CN(C(=O)OC(C)(C)C)[C@H]2C(C)C,KNWHQBCKVATCTO-FQEVSTJZSA-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:4:202559:226844,CC(C)(C)OC(=O)N1CC(C)(C)c2cc(-c3ccnc(C(=O)C(F)(F)F)c3)cc(C#N)c21,UZCKNJGJLKCNIP-UHFFFAOYSA-N
-rxn:4:202567:223179,CCCC(=O)N=C1SC2CS(=O)(=O)CC2N1c1ccc(-c2ccc(F)c(C(=O)NOC)c2)cc1,JAEDIQVJLXNIFT-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:4:202597:223279,CCCCCN1C(=O)C(=C2SC(=S)N(C)C2=O)c2cc(-c3cnc(C4CCCN4)nc3)ccc21,NVDBQCPRXJVZTP-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:4:202601:223179,CCOC(=O)C1=C(C)N=C2SCCC(=O)N2C1c1cccc(-c2ccc(F)c(C(=O)NOC)c2)c1,LPDKZWHSZOKCNV-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:4:202620:223898,CC(C)N(C(=O)OC(C)(C)C)c1ccc(-c2ccc3c(C(C)(C)C)nn(C(=O)OC(C)(C)C)c3c2)cc1,CVQLWHPICJZRSM-UHFFFAOYSA-N
-rxn:4:202660:223179,CCCN1C(=O)C(=C2SC(=S)N(CC(C)C)C2=O)c2cc(-c3ccc(F)c(C(=O)NOC)c3)ccc21,IHSOQMZFRJSXKF-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:4:202662:226844,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:4:202679:224289,CC(C)[Si](C(C)C)(C(C)C)n1ccc2cc(-c3ccc(N(C)C(=O)OC(C)(C)C)cc3F)nc(Cl)c21,NEDZOJZUVUVRSX-UHFFFAOYSA-N
-rxn:4:202682:223179,CONC(=O)c1cc(-c2ccc(N3CC4CCC3CN4C(=O)OC(C)(C)C)cc2)ccc1F,JSMCMUQDSIQKTL-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:4:202696:223179,CONC(=O)c1cc(-c2ccc(C(=O)N=C3SC4CS(=O)(=O)CC4N3c3cccc(OC)c3)cc2)ccc1F,DIADSSDLCDSVFP-UHFFFAOYSA-N
-rxn:4:202696:223279,COc1cccc(N2C(=NC(=O)c3ccc(-c4cnc(C5CCCN5)nc4)cc3)SC3CS(=O)(=O)CC32)c1,HHUKUXPLKUEYMQ-UHFFFAOYSA-N
-rxn:4:202697:223179,CONC(=O)c1cc(-c2ccc(C(=O)N=C3SC4CS(=O)(=O)CC4N3c3ccc(OC)cc3)cc2)ccc1F,NFFURUGCOCBUHE-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:4:202703:223179,CCCN1C(=O)C(=C2SC(=S)N(CC3CCCO3)C2=O)c2cc(-c3ccc(F)c(C(=O)NOC)c3)ccc21,SPLZATFWPGRINM-UHFFFAOYSA-N
-rxn:4:202703:226844,CCCN1C(=O)C(=C2SC(=S)N(CC3CCCO3)C2=O)c2cc(-c3ccnc(C(=O)C(F)(F)F)c3)ccc21,DKHICLSVQWVFNA-UHFFFAOYSA-N
-rxn:4:202707:223279,CSc1cccc(N2C(=O)N(Cc3ccc(-c4cnc(C5CCCN5)nc4)cc3F)C3CS(=O)(=O)CC32)c1,CAQMJYDDCNHTIR-UHFFFAOYSA-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:4:202714:223507,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccccc2-c2ccc3cncc(C4CCCN(C(=O)OC(C)(C)C)C4)c3c2)CC1,URKDXAOHPWNEMS-UHFFFAOYSA-N
-rxn:4:202726:223179,CONC(=O)c1cc(-c2ccc3c(c2)CCN3C2CCN(C(=O)OC(C)(C)C)CC2)ccc1F,ZJTOGHPWMCUQLO-UHFFFAOYSA-N
-rxn:4:202726:226844,CC(C)(C)OC(=O)N1CCC(N2CCc3cc(-c4ccnc(C(=O)C(F)(F)F)c4)ccc32)CC1,PJQTZAFVYZYMLT-UHFFFAOYSA-N
-rxn:4:202729:223279,CCCCN1C(=O)C(=C2SC(=S)N(C3CCCC3)C2=O)c2cc(-c3cnc(C4CCCN4)nc3)ccc21,VRGZKKHAXIAHIP-UHFFFAOYSA-N
-rxn:4:202733:226844,CCc1ccc(N2C(=O)N(Cc3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3F)C3CS(=O)(=O)CC32)cc1,LLUGSJOOTOQBOH-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:4:202736:223279,CCCN1C(=O)C(=C2SC(=S)N(C(C)c3ccccc3)C2=O)c2cc(-c3cnc(C4CCCN4)nc3)ccc21,GDDDTNLGQODEBQ-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:4:202807:222847,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2cc(C#N)cc(C3CCCNC3)c2)cc1,CDNWYXKRUFZJDY-UHFFFAOYSA-N
-rxn:4:202807:224570,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2ccc(C(C)N3CCN(C)CC3)cc2)cc1,XTFKPBARYCUVRK-UHFFFAOYSA-N
-rxn:4:202807:224916,Cc1cc(N2CCCC(C)C2)ccc1-c1ccc(Sc2c(C)nn(C(=O)C34CC5CC(CC(C5)C3)C4)c2C)cc1,VNJAVNHGCSBGRH-UHFFFAOYSA-N
-rxn:4:203312:223606,O=[N+]([O-])c1cc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c(F)c2)cnc1OC1CCOC1,QWBLDVBNLDABAN-UHFFFAOYSA-N
-rxn:4:203551:223583,COC(=O)c1ccc2c(-c3ccc(-c4nc(C(F)(F)F)cn4C)cc3C(F)(F)F)cn(C(=O)OC(C)(C)C)c2c1,VRCQDCPIUMVOBJ-UHFFFAOYSA-N
-rxn:4:203703:224317,CN1CCN(C(=O)c2ccc(-c3cnc(C(=O)N4CCC(C(F)(F)F)CC4)c(Cl)c3)c(F)c2)CC1,ISQYNINESGCIPA-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:4:203775:224171,COC1CCN(S(=O)(=O)c2cncc(-c3ccc(OCCCN4CCCC4)c(F)c3)c2)CC1,SHXIUTXIDOAKBE-UHFFFAOYSA-N
-rxn:4:203841:223179,CONC(=O)c1cc(-c2ccc(C(=O)N3CCC(N4C(=O)COC4=O)C3)cc2)ccc1F,PPYOADLWBSVYLV-UHFFFAOYSA-N
-rxn:4:203912:223179,CCN1C(=O)C(=Cc2cc(-c3ccc(F)c(C(=O)NOC)c3)cc(Cl)c2OC)N(C)C1=S,VHYGHGONKFMXQW-UHFFFAOYSA-N
-rxn:4:203942:223179,CONC(=O)c1cc(-c2cc(C=C3C(=O)N(C)C(=S)N3C)c(OC)cc2OC)ccc1F,LNEOTLKRKDLBLY-UHFFFAOYSA-N
-rxn:4:203977:223179,CONC(=O)c1cc(-c2ccccc2C(=O)N2CCC(N3C(=O)CSC3=O)CC2)ccc1F,WCQGLLLOAQMXJC-UHFFFAOYSA-N
-rxn:4:203977:226844,O=C(c1ccccc1-c1ccnc(C(=O)C(F)(F)F)c1)N1CCC(N2C(=O)CSC2=O)CC1,UWHWLRLBGPYQIX-UHFFFAOYSA-N
-rxn:4:203985:223179,CONC(=O)c1cc(-c2ccccc2C(=O)N2CCC(N3C(=O)COC3=O)CC2)ccc1F,BTMDHZKRMNSYEM-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:4:204012:224991,CN(C)C1CCN(S(=O)(=O)c2cccc(-c3cc(C4CC4)nc(N4CCCC4)c3)c2)CC1,UYDZLMYIBZJIPI-UHFFFAOYSA-N
-rxn:4:204046:223279,O=C1CSC(=O)N1C1CCN(S(=O)(=O)c2ccccc2-c2cnc(C3CCCN3)nc2)CC1,KFXQLIKZWMFWMV-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:4:204075:226844,CC(=O)N1CCN(S(=O)(=O)c2cc(C)c(-c3ccnc(C(=O)C(F)(F)F)c3)cc2C)CC1,CGNYTHHEBJBXPH-UHFFFAOYSA-N
-rxn:4:204077:226844,O=C(c1cc(-c2ccc(CN3CCC(F)(F)C3)c(N3CCOCC3)c2)ccn1)C(F)(F)F,CFIJMKALTHJDEM-UHFFFAOYSA-N
-rxn:4:204090:224582,CC(C)N1CCCC(Cc2cccc(-c3cccc(N4CCN(C5CC5)CC4)c3)n2)CC1,SSHBYERATXUUFD-UHFFFAOYSA-N
-rxn:4:204109:223005,O=C1COCC(=O)N1C1CCN(S(=O)(=O)c2ccccc2-c2ccc(C3CCNCC3)c(Cl)c2)CC1,QQKVBHMNNHHHFI-UHFFFAOYSA-N
-rxn:4:204109:226183,O=C1COCC(=O)N1C1CCN(S(=O)(=O)c2ccccc2-c2cnccc2C2CCCCC2)CC1,ZWKGULYIQAXLDA-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:4:204135:224782,CN1CCN(c2cc(-c3ccccc3S(=O)(=O)N3CCCN(C4CCSC4)CC3)cc(F)c2F)CC1,ZXZZAQXHRBIYDO-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:4:204137:226844,O=C(c1cc(-c2ccc(CN3CCC(F)(F)CC3)c(N3CCOCC3)c2)ccn1)C(F)(F)F,BWISWGDUWQQOMS-UHFFFAOYSA-N
-rxn:4:204142:226661,CC1CN(Cc2ccc(-c3cc(N4CCN(C)CC4)cs3)cc2N2CCOCC2)CCO1,VWZYIRPGCJSCFC-UHFFFAOYSA-N
-rxn:4:204170:223179,CONC(=O)c1cc(-c2ccc(CN3CCCCC3C)c(N3CCCCC3)c2)ccc1F,LLRARJYLTVJRPA-UHFFFAOYSA-N
-rxn:4:204171:223179,CONC(=O)c1cc(-c2ccc(CN3CCCC(C)C3)c(N3CCCCC3)c2)ccc1F,KIWLFRLIPNGHQJ-UHFFFAOYSA-N
-rxn:4:204172:223179,CONC(=O)c1cc(-c2ccc(CN3CCC(C)CC3)c(N3CCCCC3)c2)ccc1F,IBHNTMBEEITBOZ-UHFFFAOYSA-N
-rxn:4:204172:226176,CC1CCN(Cc2ccc(-c3ccncc3C3CCCCC3)cc2N2CCCCC2)CC1,AIGHNPARBFCFNL-UHFFFAOYSA-N
-rxn:4:204172:226844,CC1CCN(Cc2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2N2CCCCC2)CC1,AAYGKRKBDVOUHQ-UHFFFAOYSA-N
-rxn:4:204173:224818,Cc1cc(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)ccc1-c1ccc(S(=O)(=O)N2CCSCC2)cc1,RFIWKKJESXLGLB-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:4:204180:223999,Cc1ccc(N2CCN(S(=O)(=O)c3cc(-c4cc(S(=O)(=O)N5CCC(C)CC5)ccc4F)c(C)cc3C)CC2)c(C)c1,GQOOEWQVLYDCMP-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:4:204186:223179,CONC(=O)c1cc(-c2c(C)cc(C)c(S(=O)(=O)N3CCN(c4cccc(C)c4C)CC3)c2C)ccc1F,PKULPSCIGOEMJD-UHFFFAOYSA-N
-rxn:4:204186:226844,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:4:204326:223712,CCOC(=O)C1Cc2ncc(-c3ccc(OC)c(C45CC6CC(CC(C6)C4)C5)c3)n2C1,XZGPAYNKYTZBHK-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:4:204653:223279,COCCN1C(=O)C(=C2C(=O)N(C)c3ccc(-c4cnc(C5CCCN5)nc4)cc32)SC1=S,XEPIZMVPBQUODN-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:4:204690:223279,CCCN1C(=O)C(=C2C(=O)N(CC)c3ccc(-c4cnc(C5CCCN5)nc4)cc32)SC1=S,DTSYKBSKVCRVFU-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:4:204696:223179,CONC(=O)c1cc(-c2ccccc2C2C(C(=O)OC)=C(C)N=C3SCCC(=O)N32)ccc1F,UZAYIAZQVBIRIR-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:4:204705:226844,O=C(N=C1SC2CS(=O)(=O)CC2N1c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1Cl)C1CC1,KWKTVQYNUPOJRD-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:4:204739:223279,CCC(C)N1C(=O)C(=C2C(=O)N(CC)c3ccc(-c4cnc(C5CCCN5)nc4)cc32)SC1=S,HCANITCHOJLKAL-UHFFFAOYSA-N
-rxn:4:204744:223179,CONC(=O)c1cc(-c2ccccc2C(=O)N2CC(N3C(=O)C4CC=CCC4C3=O)C2)ccc1F,JCCYYWVIQKBCPY-UHFFFAOYSA-N
-rxn:4:204744:223279,O=C(c1ccccc1-c1cnc(C2CCCN2)nc1)N1CC(N2C(=O)C3CC=CCC3C2=O)C1,QLOGYLVSMKIJAJ-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:4:204775:223179,CCN1C(=O)C(=C2SC(=S)N(Cc3ccc(F)cc3)C2=O)c2cc(-c3ccc(F)c(C(=O)NOC)c3)ccc21,IBWZQMKDYAOXBE-UHFFFAOYSA-N
-rxn:4:204775:223279,CCN1C(=O)C(=C2SC(=S)N(Cc3ccc(F)cc3)C2=O)c2cc(-c3cnc(C4CCCN4)nc3)ccc21,OVJQLPHKXHDUGB-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:4:204797:223179,CONC(=O)c1cc(-c2cccc(N3C=C(C(=O)N4CCCC4)S(=O)(=O)c4ccc(Cl)cc43)c2)ccc1F,QRFPJNCBYLGDSQ-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:4:204807:223179,CONC(=O)c1cc(-c2ccc(C(=O)N=C3SC4CS(=O)(=O)CC4N3c3ccc(C)cc3)cc2)ccc1F,JMXAHULEIKLEHV-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:4:204809:226844,O=C(C1=CN(c2cccc(-c3ccnc(C(=O)C(F)(F)F)c3)c2)c2cc(F)ccc2S1(=O)=O)N1CCOCC1,DZHYHWOHHFQEKN-UHFFFAOYSA-N
-rxn:4:204829:226844,Cc1cc(N2C=C(C(=O)N3CCCC3)S(=O)(=O)c3ccccc32)ccc1-c1ccnc(C(=O)C(F)(F)F)c1,GEVBWWJLAUYYIF-UHFFFAOYSA-N
-rxn:4:204831:226844,O=C(C1=CN(c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2)c2ccccc2S1(=O)=O)N1CCCCC1,YQVDCOPYEQQMPE-UHFFFAOYSA-N
-rxn:4:204833:226844,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:4:204841:223957,CC(=O)c1c(N2CCCCC2)nc2ccc(-c3cc(F)c(CO[Si](C)(C)C(C)(C)C)c(F)c3)cc2c1-c1ccccc1,GCJBXQZKEKWDBU-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:4:204857:224421,Cc1ccc(N2C(=O)N(Cc3ccc(-c4c(C(C)C)cc(C(C)C)cc4C(C)C)cc3F)c3ccccc3S2(=O)=O)cc1C,DAGLWWDJDIKXFG-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:4:204860:226844,COc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)c(C(=O)N2C3CCC2CC2(C3)CN(C)C(=O)CO2)c1,QEQCBRYVEANGGC-UHFFFAOYSA-N
-rxn:4:204864:223279,Cc1cc(N2C=C(C(=O)N3CCCCC3)S(=O)(=O)c3ccccc32)ccc1-c1cnc(C2CCCN2)nc1,YFGCKDJJSXLXLI-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:4:204866:223179,CONC(=O)c1cc(-c2ccc(N3C=C(C(=O)N4CCC(C)CC4)S(=O)(=O)c4ccccc43)cc2)ccc1F,XTWKMSJRFXVKCA-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:4:204868:223179,CONC(=O)c1cc(-c2ccc(N3C=C(C(=O)N4CCC(C)CC4)S(=O)(=O)c4ccc(Cl)cc43)cc2)ccc1F,NTMMWGSXQIYTOJ-UHFFFAOYSA-N
-rxn:4:204868:223279,CC1CCN(C(=O)C2=CN(c3ccc(-c4cnc(C5CCCN5)nc4)cc3)c3cc(Cl)ccc3S2(=O)=O)CC1,BJWUXWMQEAUARR-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:4:204869:226844,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:4:204913:222635,C[C@H](NC(=O)OC(C)(C)C)c1cccc(-c2ccc3c(c2)c2c(n3C)CCN(C(=O)OC(C)(C)C)C2)c1,IZUHNNQPMOTRHH-IBGZPJMESA-N
-rxn:4:204955:226844,COc1ccc(C2=NN3C(C2)c2cc(-c4ccnc(C(=O)C(F)(F)F)c4)ccc2OC3C2CCCCC2)cc1,ODDZQIKQYZTXLZ-UHFFFAOYSA-N
-rxn:4:206691:223919,Cc1cc(N2CCCC2)c(-c2ccc(C(=O)N(C)C3CCCCC3)c(Cl)c2)cc1[N+](=O)[O-],WHJIJICWEKFHBV-UHFFFAOYSA-N
-rxn:4:206875:224667,CN1CCN(Cc2cc(-c3cc(F)c(C(=O)N4CCN(C)CC4)c(Cl)c3)ccc2Cl)CC1,PEOYXVMDAYEHLV-UHFFFAOYSA-N
-rxn:4:206884:224194,CCN1CCN(Cc2ccc(-c3cc(F)c(C(=O)N4CCN(C)CC4)c(F)c3)cc2Cl)CC1,TURICBAHJQDTLV-UHFFFAOYSA-N
-rxn:4:206964:223606,CS(=O)(=O)N1CCC(c2ccc(-c3ccc(S(=O)(=O)N4CCC5(CC4)OCCO5)c(F)c3)cn2)CC1,MENWIYPPXXTCOX-UHFFFAOYSA-N
-rxn:4:207011:222466,c1cc(N2CCN(C3COC3)CC2)ccc1-c1cc(C2CCCCC2)nc(C2CCNCC2)c1,FGHOIJMNTVXQBO-UHFFFAOYSA-N
-rxn:4:207034:223540,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1nc(C(C)C)cc(C2CCCCC2)n1,NDZFEDYNABYXFE-UHFFFAOYSA-N
-rxn:4:207090:223179,CONC(=O)c1cc(-c2ccc(N3C(=O)CC(N4CCC(C)CC4)C3=O)cc2)ccc1F,RDNRNPDBWAWVNV-UHFFFAOYSA-N
-rxn:4:207091:223179,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:4:207092:226844,CC1(C)COC(c2ccc(C3=NC(C)(C)CO3)c(-c3ccnc(C(=O)C(F)(F)F)c3)c2)=N1,DZXJOKLYWVNUBV-UHFFFAOYSA-N
-rxn:4:207759:223179,CONC(=O)c1cc(-c2ccc(N3C(=NC(C)=O)SC4CS(=O)(=O)CC43)c(Cl)c2)ccc1F,OHFKAEGUSBABIU-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:4:207760:226844,CC(=O)N=C1SC2CS(=O)(=O)CC2N1c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1F,GILPSHYDRAHIKX-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:4:207818:223179,CCN1C(=O)C(=C2SC(=S)N(C(C)C)C2=O)c2cc(-c3ccc(F)c(C(=O)NOC)c3)ccc21,BETGPLTXKOTREQ-UHFFFAOYSA-N
-rxn:4:207818:223279,CCN1C(=O)C(=C2SC(=S)N(C(C)C)C2=O)c2cc(-c3cnc(C4CCCN4)nc3)ccc21,JFJUTQBIESBCPY-UHFFFAOYSA-N
-rxn:4:207890:223943,Cc1cc2c(cnn2C2CCCCO2)c(-c2cnn(CC34CC5CC(CC(C5)C3)C4)c2C)c1Cl,AXBFIPQEOMVOSF-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:4:207959:226844,Cc1ccc(C2=NN3C(C2)c2cc(-c4ccnc(C(=O)C(F)(F)F)c4)ccc2OC3C2CCCCC2)cc1,DJINJXNHKIZVPN-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:4:207965:223279,COc1ccc(C2=NN3C(C2)c2cc(-c4cnc(C5CCCN5)nc4)ccc2OC32CCC(C)CC2)cc1,UYBHIALLJMPJTP-UHFFFAOYSA-N
-rxn:4:209478:222439,O=S(=O)(NC1CCCCC1)c1ccc(-c2cc(C3CCCC3)nc(Cl)n2)c(C(F)(F)F)c1,GGNSEAORYGXEEX-UHFFFAOYSA-N
-rxn:4:209752:223660,CC1CCCN1c1ccc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)s2)cn1,RUXYUOBLBNHTIR-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:4:211100:226844,CC1CCC2(CC1)Oc1ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc1C1CC(c3ccc(Cl)cc3)=NN12,GQOLPAKLFXDFOG-UHFFFAOYSA-N
-rxn:4:211101:222538,Cc1ccc(C2=NN3C(C2)c2cc(-c4cc(C5CCCC5)nc(C5CCNCC5)c4)ccc2OC32CCC(C)CC2)cc1,GIPZFGUYWIARON-UHFFFAOYSA-N
-rxn:4:211101:226183,Cc1ccc(C2=NN3C(C2)c2cc(-c4cnccc4C4CCCCC4)ccc2OC32CCC(C)CC2)cc1,SKRSBSKZEHMBJD-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:4:212521:223279,O=S(=O)(CCC(F)(F)F)N1CCC(Oc2ncc(-c3cnc(C4CCCN4)nc3)cn2)C1,CZYZKQFFXMPGPC-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:4:212593:222635,C[C@H](NC(=O)OC(C)(C)C)c1cccc(-c2ccc(C(=O)N(C)C3CN(C(=O)OC(C)(C)C)C3)cn2)c1,OAFULNJNFLAYAF-SFHVURJKSA-N
-rxn:4:212593:226292,CC(C)OC(=O)c1ccc(-c2ccc(C(=O)N(C)C3CN(C(=O)OC(C)(C)C)C3)cn2)cc1,HQWMYUKLKLIXBC-UHFFFAOYSA-N
-rxn:4:212618:223179,CONC(=O)c1cc(-c2cnc(OCC3CCCN(C(=O)OC(C)(C)C)C3)cn2)ccc1F,URHHPPJUWINHMJ-UHFFFAOYSA-N
-rxn:4:212624:223812,O=C(CCc1ccccc1-c1cc(F)cc(CN2CCC3(CC2)OCCO3)c1)N1CCC(Oc2ncc(F)cn2)CC1,IOCCKGJBWUZLPS-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:4:212634:223279,Cn1cc(-c2cnc(C3CCCN3)nc2)c(CN(C(=O)OC(C)(C)C)C2CCCC2)n1,JLQSPQFLKWHPAO-UHFFFAOYSA-N
-rxn:4:212635:223279,Cn1ncc(-c2cnc(C3CCCN3)nc2)c1CN(C(=O)OC(C)(C)C)C1CCCC1,ZSBLWBXYLKWPNS-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:4:212640:225204,CCN(CC)S(=O)(=O)c1c(C)nn(S(=O)(=O)c2ccc(-c3cc(C(F)(F)F)cc(C4CC4)c3C)cc2)c1C,HHWTTWORRMLJIE-UHFFFAOYSA-N
-rxn:4:212640:225815,CCN(CC)S(=O)(=O)c1c(C)nn(S(=O)(=O)c2ccc(-c3ccc(C4CC4)cc3C(F)(F)F)cc2)c1C,LYAGHWODDTXPQT-UHFFFAOYSA-N
-rxn:4:212646:223179,CONC(=O)c1cc(-c2cnn(C)c2CN(C(=O)OC(C)(C)C)C2CCOCC2)ccc1F,OQSPQOYGOVOHCO-UHFFFAOYSA-N
-rxn:4:212646:223279,Cn1ncc(-c2cnc(C3CCCN3)nc2)c1CN(C(=O)OC(C)(C)C)C1CCOCC1,KXMFXAKTUBEGPP-UHFFFAOYSA-N
-rxn:4:212650:223179,CONC(=O)c1cc(-c2cnc(OCC3CCCN(C(=O)CC(C)(C)C)C3)nc2)ccc1F,JCZWUZNPWVVDPX-UHFFFAOYSA-N
-rxn:4:212650:225898,CC(C)(C)CC(=O)N1CCCC(COc2ncc(-c3cnn(CCN4CCOCC4)c3)cn2)C1,QKKDMTZQARGQCD-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:4:212653:223179,CONC(=O)c1cc(-c2nc(C(=O)OC)ccc2N2CCN(C(=O)OC(C)(C)C)CC2)ccc1F,FHVFGVYLIVKSMX-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:4:212679:222833,Cc1cnc(OC2CCN(C(=O)CCc3ccccc3-c3cccc(NC(=O)CCC(C)C)c3)CC2)nc1,RTKBRBVDUQGLFN-UHFFFAOYSA-N
-rxn:4:212680:224257,Cc1ccc(OCC2CCN(C(=O)Cc3ccc(F)cc3-c3cc(C(=O)N4CCCCC4C)ccc3Cl)CC2)nn1,PJIGJMHZNIOAPU-UHFFFAOYSA-N
-rxn:4:212690:223279,Cn1ncc(-c2cnc(C3CCCN3)nc2)c1CN(C(=O)OC(C)(C)C)C1CCCCC1,HHHLPHGNLQFYSH-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:4:212692:223279,CC1CN(C(=O)Cc2cncc(-c3cnc(C4CCCN4)nc3)c2)CCN1C(=O)OC(C)(C)C,DUEORPGUFADLMV-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:4:212694:223279,COCCN1C(=O)CN(C2CCN(C(=O)c3ccccc3-c3cnc(C4CCCN4)nc3)CC2)C1=O,WODOYIRWKFYVQG-UHFFFAOYSA-N
-rxn:4:212695:223179,CONC(=O)c1cc(-c2ccccc2CCC(=O)N2CCC(S(=O)(=O)c3nccn3C)CC2)ccc1F,JEQGRTYYYSGADY-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:4:212710:225313,Cc1ncnc(OCC2CCN(C(=O)Cc3ccc(-c4ccc(N5CCN(C)CC5)nc4F)cc3)CC2)c1C,UUDVWARCRGUUTE-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:4:212721:223279,CC(C)C(=O)N1CCN(c2cc(C(=O)OC(C)(C)C)cc(-c3cnc(C4CCCN4)nc3)n2)CC1,AXIUXBVHHGRNSR-UHFFFAOYSA-N
-rxn:4:212721:226844,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:4:212734:226844,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:4:212737:226844,CC(C)(C)OC(=O)N1CCN(c2cc(CN3CCOCC3)cc(-c3ccnc(C(=O)C(F)(F)F)c3)c2)CC1,ANPFBTYZLMJZAP-UHFFFAOYSA-N
-rxn:4:212738:223179,CONC(=O)c1cc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)c(N3CCOCC3)c2)ccc1F,KSKYTTBTOITJPD-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:4:212740:224271,CC(C)(C)OC(=O)N1CCN(c2cc(CN3CCCCC3)cc(-c3cc4cccnc4n3C(=O)OC(C)(C)C)c2)CC1,ABFXCBBHLKSAHQ-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:4:212744:223179,CONC(=O)c1cc(-c2cc(CN3CCC(F)(F)CC3)cc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)ccc1F,HIHAGXSXRYKZSS-UHFFFAOYSA-N
-rxn:4:212745:226844,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:4:212746:226844,CC1CN(Cc2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2N2CCOCC2)CCN1C(=O)OC(C)(C)C,NJHSVLPQJQAZIT-UHFFFAOYSA-N
-rxn:4:212747:226844,CC1CN(C(=O)OC(C)(C)C)CCN1Cc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1N1CCOCC1,NYJYWFQRWVIWSL-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:4:212749:223279,CC1CN(Cc2ccc(-c3cnc(C4CCCN4)nc3)cc2N2CCCCC2)CCN1C(=O)OC(C)(C)C,ZUKIRRAOBYTCPM-UHFFFAOYSA-N
-rxn:4:212771:223179,CONC(=O)c1cc(-c2ccc3nc(N(CCN(C)C)C(=O)C4=COCCO4)sc3c2)ccc1F,BOWFCXMHCHEWAE-UHFFFAOYSA-N
-rxn:4:212775:226844,COCCn1c(=NC(=O)CN2C(=O)CCC2=O)sc2cc(-c3ccnc(C(=O)C(F)(F)F)c3)ccc21,KQUYOQGGTNRVMD-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:4:212808:223179,CCCCN1C(=O)C(=Cc2c(Oc3ccc(-c4ccc(F)c(C(=O)NOC)c4)cc3)nc3ccccn3c2=O)SC1=S,OCLKNZKAAMLGLK-UHFFFAOYSA-N
-rxn:4:212814:223109,CC(NC1CC1)c1ccc(-c2c3c(nn2C(=O)OC(C)(C)C)C(C)(C)N(C(=O)OC(C)(C)C)C3)cc1,FRKBBEBKVBYFIC-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:4:212814:223279,CC(C)(C)OC(=O)N1Cc2c(nn(C(=O)OC(C)(C)C)c2-c2cnc(C3CCCN3)nc2)C1(C)C,WFTYKTGCRVFMJC-UHFFFAOYSA-N
-rxn:4:212822:223179,CONC(=O)c1cc(-c2ccc3ccn(CC(=O)N4CCN(S(=O)(=O)c5ccc(OC)cc5)CC4)c3c2)ccc1F,YPUOYZNTOCYATM-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:4:212830:223279,CN(C(=O)c1cc2cc(-c3cnc(C4CCCN4)nc3)ccc2[nH]1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1,TUALYWYOCNVBQL-FKHAVUOCSA-N
-rxn:4:212832:223179,CCC1CCCCN1C(=O)CSc1nc2c(c(=O)n1-c1ccc(-c3ccc(F)c(C(=O)NOC)c3)cc1)SCC2,HCKYLASANGKCFU-UHFFFAOYSA-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:4:212839:223279,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4cnc(C5CCCN5)nc4)ccn23)CC1,XBZWCZSXLWYQCD-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:4:212848:223279,CC(C)(C)OC(=O)N1CCc2c(c3ccc(-c4cnc(C5CCCN5)nc4)nc3n2C(=O)OC(C)(C)C)C1,JNDNVZCWXBLPSF-UHFFFAOYSA-N
-rxn:4:212923:224278,CC(C)(C)OC(=O)N1CC(C#N)(c2ccc(-c3cnc4c(ccn4C(=O)OC(C)(C)C)c3)cn2)C1,VITKRWSFNWCGKF-UHFFFAOYSA-N
-rxn:4:212938:224880,CCC(=O)N1CCCC(COc2ncc(-c3ccccc3CN3CCCCCC3)cn2)C1,KCVYXYBFFCCZEC-UHFFFAOYSA-N
-rxn:4:212944:225784,CCOC(=O)N1CCN(c2ncc(C(F)(F)F)cc2-c2ccc(CN3CCOCC3)nc2)CC1,SCVQIAGZTLKOFP-UHFFFAOYSA-N
-rxn:4:212973:223179,CONC(=O)c1cc(-c2cccnc2OC2CCN(C(=O)CN3CCOC3=O)C2)ccc1F,FTGXWNJJDIMSAJ-UHFFFAOYSA-N
-rxn:4:212989:223279,CC(C)(C)OC(=O)N1CCN(C(=O)c2cnc(-c3cnc(C4CCCN4)nc3)s2)CC1,PKTVIRLPBQPMBU-UHFFFAOYSA-N
-rxn:4:212993:223179,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:4:213038:225975,CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(-c3ccnc(N4CCOCC4)c3Cl)c[nH]2)CC1,RGXQKOBBJTXDNP-UHFFFAOYSA-N
-rxn:4:213041:224075,CC(C)(C)OC(=O)N1CCC(Oc2cnc(-c3ccc4ccn([Si](C)(C)C(C)(C)C)c4c3)cn2)CC1,BMBBDRUNSVSSLY-UHFFFAOYSA-N
-rxn:4:213053:223179,CONC(=O)c1cc(-c2cnc(OCC3CCCN(C(=O)C4CC(F)(F)C4)C3)nc2)ccc1F,YNPFESVCOISIFX-UHFFFAOYSA-N
-rxn:4:213053:226981,CCCCCCc1ccsc1-c1cnc(OCC2CCCN(C(=O)C3CC(F)(F)C3)C2)nc1,HSXAHDZVSPDPOR-UHFFFAOYSA-N
-rxn:4:213070:223179,CONC(=O)c1cc(-c2cnn(CC3CCN(C(=O)OC(C)(C)C)CC3)c2)ccc1F,NJFFXGCYTSSHKX-UHFFFAOYSA-N
-rxn:4:213073:223179,CONC(=O)c1cc(-c2ccnn2CC2CCN(C(=O)OC(C)(C)C)CC2)ccc1F,IASBAUWMKKKTBM-UHFFFAOYSA-N
-rxn:4:213074:223179,CONC(=O)c1cc(-c2nccn2CC2CCN(C(=O)OC(C)(C)C)CC2)ccc1F,VWWOVNNOTFDKDE-UHFFFAOYSA-N
-rxn:4:213075:225518,CCCCCOc1ncc(C)cc1-c1cccc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)n1,WZVUYDGGQYMVGS-UHFFFAOYSA-N
-rxn:4:213080:223279,CC(C)(C)OC(=O)N1CCN(C(=O)c2cncc(-c3cnc(C4CCCN4)nc3)c2)CC1,JCROBRJHDJGHRF-UHFFFAOYSA-N
-rxn:4:213080:223659,CC(C)(C)OC(=O)N1CCC(Cn2cc(-c3cncc(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c3)cn2)CC1,XTVBLOREWBKENO-UHFFFAOYSA-N
-rxn:4:213080:225287,CC(C)(C)OC(=O)c1cnc(Cl)cc1-c1cncc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1,RDZNHZPNMADQHZ-UHFFFAOYSA-N
-rxn:4:213080:225636,CC1CCN(c2cc(-c3cncc(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c3)ccn2)CC1,FOIOYMBGYLVQQU-UHFFFAOYSA-N
-rxn:4:213081:223279,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(C4CCCN4)nc3)cc2C#N)CC1,QOKLCHOUUWMRHF-UHFFFAOYSA-N
-rxn:4:213088:223279,CC(C)(C)OC(=O)N1CCN(c2cccc(-c3cnc(C4CCCN4)nc3)c2C#N)CC1,OHEKILMLTFUIAA-UHFFFAOYSA-N
-rxn:4:213094:223279,CC(C)(C)OC(=O)N1CCN(c2c(C#N)cccc2-c2cnc(C3CCCN3)nc2)CC1,PVTJSVKQVRXYJD-UHFFFAOYSA-N
-rxn:4:213096:223279,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cnc(C4CCCN4)nc3)ccc2C#N)CC1,MRZHYSHLHIOPPN-UHFFFAOYSA-N
-rxn:4:213098:224684,CC(C)(C)OC(=O)N1CCN(c2cc(C#N)cc(-c3ccc(C(=O)N4CCC(=O)CC4)cc3)c2)CC1,VIMSIHWYKMTWSH-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:4:213100:228010,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cc(Cl)ccc3C3CC3)c(C(F)(F)F)n2)CC1,XCZMRRWNHYBZDR-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:4:213124:226844,CC(C)CN(c1ncc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1[N+](=O)[O-])C1CCCCC1,UUVYPVMKHBTCTC-UHFFFAOYSA-N
-rxn:4:213127:223179,CONC(=O)c1cc(-c2ccnc(CN3CCN(C(=O)OC(C)(C)C)CC3)c2)ccc1F,WWKXFLWJXWDIEO-UHFFFAOYSA-N
-rxn:4:213128:226844,COc1nc(-c2ccnc(C(=O)C(F)(F)F)c2)cn1C1CCCN(C(=O)OC(C)(C)C)C1,YQJYQMIGEDRBKQ-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:4:213132:223179,CONC(=O)c1cc(-c2cnc(OCC3CCCN(C(=O)C(C)(C)C)C3)nc2)ccc1F,PEZACPRSBAOEFO-UHFFFAOYSA-N
-rxn:4:213134:226249,CCCCOc1cc(Cl)cc(-c2cnc(OC3CCN(C(=O)C(C)(C)CC)CC3)nc2)c1,YAHBISVAVPTOOJ-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:4:213142:225876,CC(C)(C)OC(=O)N1CCN(c2cccc(-c3cc(Cl)ccc3N3CCOCC3)c2[N+](=O)[O-])CC1,YOLJEWHUNLLABN-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:4:213143:223279,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cnc(C4CCCN4)nc3)ccc2[N+](=O)[O-])CC1,GARWJYKCTYBNGZ-UHFFFAOYSA-N
-rxn:4:213147:223656,Cc1cc2c(-c3cncc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c3)ccnc2n1S(=O)(=O)c1ccccc1,FMBDLCBUDGUHMU-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:4:213162:223598,COc1ccc(S(=O)(=O)N2CCC(Oc3ncc(-c4ccc(OCCN5CCC6(CC5)OCCO6)c(F)c4)cn3)CC2)cc1F,HHBKELDXQYAKNI-UHFFFAOYSA-N
-rxn:4:213163:223179,CONC(=O)c1cc(-c2cnc(OCC3CCN(C(=O)C4CCCC4)CC3)nc2)ccc1F,TXAUNUQXGQEMRO-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:4:213165:223279,COc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1-c1cnc(C2CCCN2)nc1,FXSKQRAUYUDQEP-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:4:213191:223279,CC(C)(C)OC(=O)N1CCCN(C(=O)c2ccc(-c3cnc(C4CCCN4)nc3)nc2)CC1,JAGIDPJMWJFFFP-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:4:213196:223279,O=C(C1CCOCC1)N1CCCC(COc2ncc(-c3cnc(C4CCCN4)nc3)cn2)C1,YSWNUPSDKCJIAF-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:4:213218:223179,CONC(=O)c1cc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)[C@@H](C)C3)nc2)ccc1F,HYLFJHBYSHOTPD-INIZCTEOSA-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:4:213220:223279,CC1CN(c2ccc(-c3cnc(C4CCCN4)nc3)cc2[N+](=O)[O-])CCN1C(=O)OC(C)(C)C,CEAWXYDMFUFVDG-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:4:213239:223179,CONC(=O)c1cc(-c2cncc(C(=O)N3CCN(C(=O)C4CC4c4ccc(F)cc4)CC3)c2)ccc1F,RFKDVXJDIACFMT-UHFFFAOYSA-N
-rxn:4:213245:224970,CN(C(=O)Cn1nc(-c2ccc(-c3ccc(S[Si](C)(C)C(C)(C)C)cc3)cc2)ccc1=O)C1CCCCC1,VCOKLUKIJVGSJW-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:4:213261:223179,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:4:213267:223279,CC(C)N1CCN(c2ccc(-c3cnc(C4CCCN4)nc3)c(C(=O)OC(C)(C)C)n2)CC1,ZCUQMFBHHIGIMA-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:4:213273:223179,CONC(=O)c1cc(-c2cnccc2OC2CCN(C(=O)c3ccc(N4CCOCC4)cc3)C2)ccc1F,ONLFVBDFKVZIPE-UHFFFAOYSA-N
-rxn:4:213282:223279,O=C(C1CC(=O)N(c2cccc(-c3cnc(C4CCCN4)nc3)c2)C1)N1CCC(Oc2ccncc2)CC1,MOZCLCBTOHZQBW-UHFFFAOYSA-N
-rxn:4:213289:223279,CC(C)(C)OC(=O)N1CCC(c2nc(C(C)(C)C)ncc2-c2cnc(C3CCCN3)nc2)CC1,JIDWLGGVJYYKDP-UHFFFAOYSA-N
-rxn:4:213289:223536,CC(C)(C)OC(=O)N1CCC(c2nc(C(C)(C)C)ncc2-c2cc(F)c(F)c(N3CCN(C(=O)OC(C)(C)C)CC3)c2)CC1,VTUIMHFFKKJZCF-UHFFFAOYSA-N
-rxn:4:213290:223279,O=C(N1CCCC(Oc2ncc(-c3cnc(C4CCCN4)nc3)cn2)C1)C1(c2ccccc2)CCOCC1,GIRWVEWVHURVQP-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:4:213320:224820,COC(=O)c1nc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n2c1CN(C(=O)OC(C)(C)C)CC2,ZISSACIPRZSCFE-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:4:213338:226844,CN(C)C(=O)CSC1=NC2CS(=O)(=O)CC2N1c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1F,UUFXCPYWIDULHY-UHFFFAOYSA-N
-rxn:4:213353:223179,CONC(=O)c1cc(-c2cnccc2OC2CCN(C(=O)CN3C(=O)c4ccccc4C3=O)C2)ccc1F,PCCNQZHAUNJZOJ-UHFFFAOYSA-N
-rxn:4:213354:223279,CC(C)(C)OC(=O)N1C2CC1CN(Cc1ccc(-c3cnc(C4CCCN4)nc3)cn1)C2,HFZVDSJQPBLYCJ-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:4:213387:223179,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:4:213408:223179,CONC(=O)c1cc(-c2ccc(Oc3nc4ccccn4c(=O)c3C=C3SC(=S)N(CC(C)C)C3=O)cc2)ccc1F,QYKAMEASIVKBHL-UHFFFAOYSA-N
-rxn:4:213413:227045,CC1CN(C(=O)c2cc3cc(-c4cccc(SC(C)(C)C)c4)ccc3[nH]2)CCN1C(=O)OC(C)(C)C,VQCRMWHTEKVRPI-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:4:213444:223179,CONC(=O)c1cc(-c2ccc(CC(=O)N3CCC(Cn4nc5c(cc4=O)CCCC5)CC3)cc2)ccc1F,ZJGMECJUIXNLRO-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:4:213451:226844,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:4:213472:223279,O=C(c1ccccc1-c1cnc(C2CCCN2)nc1)N1CCN(CCN2C(=O)c3cccc4cccc(c34)C2=O)CC1,FZOAGRPJLKHXSY-UHFFFAOYSA-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:4:213481:223179,CONC(=O)c1cc(-c2cncc(C(=O)OCC3CN(C)C4Cc5cn(C)c6cccc(c56)C4(OC)C3)c2)ccc1F,QIMDNSRFPJMYFU-UHFFFAOYSA-N
-rxn:4:213513:223588,Cc1cc(-c2cnc(OCCN(C)C)nc2)cnc1N1CCN(C(=O)OC(C)(C)C)CC1,BGNNOUTVPJQIFF-UHFFFAOYSA-N
-rxn:4:213642:223490,Cc1ccc(-c2cc(Cl)ccc2-n2cc(C(=O)OC(C)(C)C)nn2)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,XBTQNKCQHQLWNQ-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:4:213713:224361,CCN(CC)S(=O)(=O)c1cc(-c2cnc([C@@H]3CCCN3C(=O)OC(C)(C)C)[nH]2)ccc1OC,RJHGRHZFYNZCCQ-SFHVURJKSA-N
-rxn:4:213720:224171,CC(C)(C)OC(=O)N1CCC(n2nccc2-c2ccc(OCCCN3CCCC3)c(F)c2)C1,KWXWDJDTFMYNSH-UHFFFAOYSA-N
-rxn:4:213755:223578,CC(C)(C)OC(=O)N1CCN(c2nc(-c3cnc(N4CCCCC4)nc3OCc3ccccc3)cs2)CC1,OPWMRRXTRFYRCJ-UHFFFAOYSA-N
-rxn:4:213765:224718,CC(C)(C)OC(=O)N1CCC(c2cncc(-c3ccc(OCCN4CCOCC4)nc3)n2)C1,IGVARAWIGCIWBF-UHFFFAOYSA-N
-rxn:4:213802:226330,CC(c1ccc(-c2cccnc2OC2CCN(S(=O)(=O)N(C)C)CC2)s1)N1CCCC1,QVDOWOWZRKRPBL-UHFFFAOYSA-N
-rxn:4:213802:226662,CN1CCN(c2ccc(-c3cccnc3OC3CCN(S(=O)(=O)N(C)C)CC3)s2)CC1,MBVKPYURKGSEDO-UHFFFAOYSA-N
-rxn:4:213803:225178,CC(C)(C)OC(=O)N1CCOCC1c1ncc(-c2ccc(CN3CCOCC3)cc2F)cn1,ZLGZDGDONVUITC-UHFFFAOYSA-N
-rxn:4:213813:222584,Cc1ccccc1C(=O)N1CCC(Oc2ncc(-c3ccc(OCCCN4CCNCC4)c(F)c3)cn2)C1,JWPSYKHCVRPONB-UHFFFAOYSA-N
-rxn:4:213841:225364,Cc1cc(F)c(-c2cnc(OC3CCN(CC4CCC4)CC3)nc2)cc1S(=O)(=O)N(C)C,FYISWTSVRACQGW-UHFFFAOYSA-N
-rxn:4:213849:223179,CONC(=O)c1cc(-c2cnc(OC3CCN(C(=O)C4CCCO4)CC3)nc2)ccc1F,ASYZJMXIGLRXIU-UHFFFAOYSA-N
-rxn:4:213863:222621,CC(C)Cc1cc(-c2ccc(S(=O)(=O)N3CCCC(Oc4ncccn4)C3)cc2)cc(C2CCCNC2)n1,ULBGEMIVQATFCY-UHFFFAOYSA-N
-rxn:4:213883:223649,Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)sc1-c1cccc(N2CCN(C(=O)OC(C)(C)C)CC2)c1,JAOABAIMFZSKKL-UHFFFAOYSA-N
-rxn:4:213883:225287,Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)sc1-c1cc(Cl)ncc1C(=O)OC(C)(C)C,KEDOBLFXUFYTFW-UHFFFAOYSA-N
-rxn:4:213898:222546,CC(C)(C)C(=O)N1CCC(Oc2ncc(-c3ccc(OCCNC4CCCCC4)c(F)c3)cn2)CC1,IYCURKRVDXUWGS-UHFFFAOYSA-N
-rxn:4:213898:222684,CC(C)(C)C(=O)N1CCC(Oc2ncc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)cn2)CC1,YNJRTVDKGOCDSL-UHFFFAOYSA-N
-rxn:4:213931:223179,CONC(=O)c1cc(-c2cc(C(F)(F)F)cnc2N2CCOC(C(=O)N3CCCC3)C2)ccc1F,BBXHDVOJMRSHAS-UHFFFAOYSA-N
-rxn:4:213942:223179,CONC(=O)c1cc(-c2cn(C3CCN(C(=O)OC(C)(C)C)CC3)nc2C)ccc1F,VKNIKGACGQHDSZ-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:4:213945:223179,CONC(=O)c1cc(-c2cn(C3CCN(C(=O)OC(C)(C)C)CC3C)cn2)ccc1F,XZPOSVZZLANYHA-UHFFFAOYSA-N
-rxn:4:213946:223179,CONC(=O)c1cc(-c2cnn(C3CCN(C(=O)OC(C)(C)C)CC3C)c2)ccc1F,ORSXLPUFEWUWDW-UHFFFAOYSA-N
-rxn:4:213969:223179,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:4:213972:226844,O=C(C1CN(c2ncc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2C(F)(F)F)CCO1)N1CCOCC1,NOUZRBGBEMLXLI-UHFFFAOYSA-N
-rxn:4:213973:223279,O=C(C1CN(c2ncc(C(F)(F)F)cc2-c2cnc(C3CCCN3)nc2)CCO1)N1CCSCC1,JJFBEPJNSZVNEN-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:4:213976:223179,CONC(=O)c1cc(-c2cccc(N3CCN(C(=O)OC(C)(C)C)C(C)C3)n2)ccc1F,FOPFPVXEAREMOQ-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:4:213977:226844,CC1CN(C(=O)OC(C)(C)C)CCN1c1cccc(-c2ccnc(C(=O)C(F)(F)F)c2)n1,LBIWGYLWHHQJJU-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:4:213983:223179,CONC(=O)c1cc(-c2cnc(C3CCN(C(=O)OC(C)(C)C)CC3C)cn2)ccc1F,QEWUGOSSPDPAEI-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:4:213984:226844,CC1CN(C(=O)OC(C)(C)C)CCC1c1cncc(-c2ccnc(C(=O)C(F)(F)F)c2)n1,ASXVWZVHKRKPEB-UHFFFAOYSA-N
-rxn:4:213987:223179,CONC(=O)c1cc(-c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2C)ccc1F,PNVUEUHZCCRHFB-UHFFFAOYSA-N
-rxn:4:213988:223179,CONC(=O)c1cc(-c2ccc(N3CCCN(C(=O)OC(C)(C)C)CC3)nc2)ccc1F,UOXKDPVOXLWBIR-UHFFFAOYSA-N
-rxn:4:213990:223179,CONC(=O)c1cc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2C)ccc1F,FIFDSKDLUFAWHF-UHFFFAOYSA-N
-rxn:4:213993:223179,CONC(=O)c1cc(-c2cnc(N3CCN(C)CC3)c(C(=O)OC(C)(C)C)c2)ccc1F,CRRXYEQIGDPPSS-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:4:213995:226844,CN1CCN(c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)c(C(=O)OC(C)(C)C)n2)CC1,MEUVXUMRKWUBOF-UHFFFAOYSA-N
-rxn:4:214003:226844,CN1CC(C(=O)N2CCC(Oc3ncccc3-c3ccnc(C(=O)C(F)(F)F)c3)CC2)CC1=O,KMQIBNKNQCGVSJ-UHFFFAOYSA-N
-rxn:4:214014:226844,O=C(c1cncc(-c2ccnc(C(=O)C(F)(F)F)c2)c1)N1CCCSCC1CN1CCCC1,LZZPWMWVEJCWEX-UHFFFAOYSA-N
-rxn:4:214027:223279,O=C(C1CCCN(c2ncc(-c3cnc(C4CCCN4)nc3)cc2C(F)(F)F)C1)N1CCOCC1,YDILIBMWHAHLGV-UHFFFAOYSA-N
-rxn:4:214028:223179,CONC(=O)c1cc(-c2cc(C(F)(F)F)cnc2N2CCOC(C(=O)N3CCCCC3)C2)ccc1F,UUYQXWQIBQGMIM-UHFFFAOYSA-N
-rxn:4:214028:226844,O=C(C1CN(c2ncc(C(F)(F)F)cc2-c2ccnc(C(=O)C(F)(F)F)c2)CCO1)N1CCCCC1,FELBNYZXINJZJK-UHFFFAOYSA-N
-rxn:4:214029:226844,O=C(C1CCCN(c2ncc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2C(F)(F)F)C1)N1CCSCC1,YEOFWDITJQCOMI-UHFFFAOYSA-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:4:214035:224753,Cc1ccc(S(=O)(=O)N2CCCC2)cc1-c1ccc(C(=O)N2CCC(n3nc(C4CC4)ccc3=O)CC2)cc1,MULFKPHYVWFVSQ-UHFFFAOYSA-N
-rxn:4:214048:223279,Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2C)ncc1-c1cnc(C2CCCN2)nc1,YGQKHEWRVARDRG-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:4:214057:223179,CCN1CCN(Cc2ccc(-c3ccc(F)c(C(=O)NOC)c3)cc2N2CCCC2)CC1,VFKATZHGYVULNI-UHFFFAOYSA-N
-rxn:4:214057:226844,CCN1CCN(Cc2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2N2CCCC2)CC1,LLZGBZMNLXCJFV-UHFFFAOYSA-N
-rxn:4:214058:223179,CONC(=O)c1cc(-c2cncc(C(=O)N3CCC(N4CCC(OC)CC4)CC3)c2)ccc1F,HHYOCLZMRAUWER-UHFFFAOYSA-N
-rxn:4:214059:223279,CC(C)(C)OC(=O)N1CC2(CCN(c3ccc(-c4cnc(C5CCCN5)nc4)cn3)CC2)C1,KJGYBISFHSIKGT-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:4:214062:226844,CCN1CCN(Cc2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2N2CCOCC2)CC1,YRQICONTGHJUMJ-UHFFFAOYSA-N
-rxn:4:214071:223279,O=C(c1cccc(-c2cnc(C3CCCN3)nc2)c1)N1CCN(S(=O)(=O)N2CCCCCC2)CC1,ASEPLJBWGAOSJC-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:4:214074:226844,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:4:214078:223279,CCN1CCN(Cc2ccc(-c3cnc(C4CCCN4)nc3)cc2N2CCCCC2)CC1,BFQFXWSZIIFVCA-UHFFFAOYSA-N
-rxn:4:214080:224865,CC(C)(C)c1ccc(=O)n(C2CCN(C(=O)c3ccc(-c4ccc(CCN5CCCCC5)cc4)cc3)CC2)n1,SFYUCHOTRDGHBY-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:4:214086:223179,CONC(=O)c1cc(-c2ccc(CN3CCN(C(C)C)CC3)c(N3CCCCC3)c2)ccc1F,RDVSBHDVNOLRTC-UHFFFAOYSA-N
-rxn:4:214086:226844,CC(C)N1CCN(Cc2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2N2CCCCC2)CC1,RRKNMSDYGTZVEM-UHFFFAOYSA-N
-rxn:4:214145:223279,CC(C)(C)OC(=O)N1CCn2c(C(F)(F)F)nc(-c3cnc(C4CCCN4)nc3)c2C1,CCTJKXVPKBTLEB-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:4:214185:223279,CC(C)(C)OC(=O)N1CCCn2nc(C(F)(F)F)c(-c3cnc(C4CCCN4)nc3)c2C1,ZFKQNAWTLASLFK-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:4:214220:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3ccc4[nH]c(C5CCCN5C(=O)OC(C)(C)C)nc4c3)ccn2)CC1,NPHFVIKXGQBNSS-UHFFFAOYSA-N
-rxn:4:214231:225883,CC(C)(C)OC(=O)N1CCOC(c2cn3c(-c4cnc(C5CCOCC5)c(Cl)c4)cccc3n2)C1,BBPNAVICFDYOQR-UHFFFAOYSA-N
-rxn:4:214256:223279,CC(C)(C)OC(=O)N1CCc2c(c(-c3cnc(C4CCCN4)nc3)nn2C2CCOC2)C1,RVSIIBXBXXWIQH-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:4:214277:223179,CONC(=O)c1cc(-c2cc3c(cnn3C3CCN(C(=O)OC(C)(C)C)CC3)cc2F)ccc1F,PSROOYALZBWZMM-UHFFFAOYSA-N
-rxn:4:214277:225984,CC(C)(C)OC(=O)N1CCC(n2ncc3cc(F)c(-c4cnc(Cl)c(N5CCOCC5)c4)cc32)CC1,KBWZKSVTDMFBCY-UHFFFAOYSA-N
-rxn:4:214287:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1cccnc1OC1CCN(S(=O)(=O)c2cccc3cccnc23)CC1,KCELWCRPKHEJJA-UHFFFAOYSA-N
-rxn:4:214304:223179,CONC(=O)c1cc(-c2nn(C3CCOCC3)c3c2CN(C(=O)OC(C)(C)C)CC3)ccc1F,OLJOJIITRRWIHH-UHFFFAOYSA-N
-rxn:4:214304:226844,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:4:214335:225210,Cc1nc(N2CCC(C)CC2)ncc1-c1ccccc1CN1CCC(N(C)C2=NS(=O)(=O)c3ccccc32)CC1,SYUBOCXMYUWOOX-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:4:214337:225157,CN(C1=NS(=O)(=O)c2ccccc21)C1CCN(Cc2cccc(-c3cccc(C(=O)N4CCSCC4)c3)c2)CC1,BXAJQCGKAYUQDS-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:4:214384:223279,O=C(N1CCCC(Oc2ncc(-c3cnc(C4CCCN4)nc3)cn2)C1)C12CC3CC(CC(C3)C1)C2,ACEGMSNLRDTSKZ-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:4:214630:223842,CC1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2c(C3CC3)n[nH]c2C(=O)N2CCOCC2)CC1,WYUKAPSMJHFSGQ-UHFFFAOYSA-N
-rxn:4:214698:223945,CCCc1nc(N2CCN(C)CC2)sc1-c1ccc(OCCCN2CCOCC2)c(F)c1,JZYZKGMRLDEWHA-UHFFFAOYSA-N
-rxn:4:214705:224572,CC1CCCN(c2ccc(-c3cnc(CC4CCN(S(C)(=O)=O)CC4)cn3)c(C#N)c2)C1,OSOKXANJXLRDPO-UHFFFAOYSA-N
-rxn:4:214711:224155,CCS(=O)(=O)N1CCN(c2ccc(-c3cc(C4CC4)cc(N4CCN(C)CC4)c3)cn2)CC1,KCZOLJQYYSXLPG-UHFFFAOYSA-N
-rxn:4:214711:224460,CCS(=O)(=O)N1CCN(c2ccc(-c3cc(C4CC4)cc(N4CCCCC4)c3)cn2)CC1,IOJNLLAAQKDRNW-UHFFFAOYSA-N
-rxn:4:214741:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(C(=O)N2CCN(C(C)C)CC2)cn1,MTLMFWKKZOLOAV-UHFFFAOYSA-N
-rxn:4:214752:224718,CC(C)N1CCN(C(=O)c2ccc(F)c(-c3ccc(OCCN4CCOCC4)nc3)n2)CC1,VZTMLZGJNXNTKQ-UHFFFAOYSA-N
-rxn:4:214773:224752,Cc1cc(S(=O)(=O)N2CCCC2)ccc1-c1cncc(S(=O)(=O)N2CCN(C(C)C)CC2)c1,CEZZNSYBNHDUGL-UHFFFAOYSA-N
-rxn:4:214835:224885,CC1CCN(Cc2ccccc2-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCOCC3)C2)CC1,XOMAQUJYACFLMK-UHFFFAOYSA-N
-rxn:4:214836:223179,CONC(=O)c1cc(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCSCC3)C2)ccc1F,NEVYVMFNLPRKFZ-UHFFFAOYSA-N
-rxn:4:214836:227658,CN(C)c1cc(Cl)c(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCSCC3)C2)cc1F,BHFAVQFENYFABF-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:4:214874:223179,CONC(=O)c1cc(-c2cnc(N3CCOC(C(=O)N4CCCCC4)C3)c(F)c2)ccc1F,ICJQFGLRDYVUMM-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:4:214875:226844,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:4:214880:226581,Cc1cc(-c2cccc(C(=O)N(C)C)c2F)cnc1N1CCOC(C(=O)N2CCOCC2)C1,QMHJWMWPEIVIFK-UHFFFAOYSA-N
-rxn:4:214882:223279,O=C(C1CCN(c2ccc(-c3cnc(C4CCCN4)nc3)cn2)CC1)N1CCC(F)(F)CC1,VQOQVLQUAJYZFR-UHFFFAOYSA-N
-rxn:4:214883:223179,CONC(=O)c1cc(-c2cnccc2N2CCC(C(=O)N3CCC(F)(F)CC3)CC2)ccc1F,VNYJJWAHWIIVLR-UHFFFAOYSA-N
-rxn:4:214884:223279,O=C(C1CCN(c2ncc(Cl)cc2-c2cnc(C3CCCN3)nc2)CC1)N1CCC(F)(F)CC1,VWOMYVVLDNYKQB-UHFFFAOYSA-N
-rxn:4:214885:223179,CONC(=O)c1cc(-c2cnc(N3CCC(C(=O)N4CCC(F)(F)CC4)CC3)c(Cl)c2)ccc1F,KBYLKSBLIIPHTJ-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:4:214888:223179,CONC(=O)c1cc(-c2cncc(C(=O)N3CCC4(CC3)OC(=O)N(c3ccccc3)C4=O)c2)ccc1F,DQAWZHGRNYVNTN-UHFFFAOYSA-N
-rxn:4:214890:223179,CONC(=O)c1cc(-c2cncc(C(=O)N3CCCN(C4CCSCC4)CC3)c2)ccc1F,LYISEUYFXXMOPM-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:4:214896:223279,Cc1cc(-c2cnc(C3CCCN3)nc2)cnc1N1CCC(C(=O)N2CCC(F)(F)CC2)CC1,XXHFVWHUPDQZFB-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:4:214899:223179,CONC(=O)c1cc(-c2ccc(N3C(=O)CC(N4CCN(c5ccc(F)cc5)CC4)C3=O)cc2)ccc1F,RHNZSDPXCATFTJ-UHFFFAOYSA-N
-rxn:4:215143:223679,CCN1CCN(S(=O)(=O)c2c(C)cc(-c3ccccc3S(=O)(=O)N3CCn4nc(C5CC5)cc4C3)cc2C)CC1,OWSYYRWVXNKYCX-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:4:215198:226844,O=C(C1CN(c2nc3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3s2)CCO1)N1CCOCC1,QHXWSJPDCLGMGT-UHFFFAOYSA-N
-rxn:4:215219:223179,CONC(=O)c1cc(-c2ccc3ccc(N4CCOC(C(=O)N5CCOCC5)C4)nc3c2)ccc1F,LPUUNMJBBDGCLR-UHFFFAOYSA-N
-rxn:4:215296:223179,CCCN1CCC2(CC1)Oc1ccc(-c3ccc(F)c(C(=O)NOC)c3)cc1C1CC(c3ccccc3)=NN12,FEPZXAYSQDIUDR-UHFFFAOYSA-N
-rxn:4:215296:226844,CCCN1CCC2(CC1)Oc1ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc1C1CC(c3ccccc3)=NN12,XYRYGINUGOSDIA-UHFFFAOYSA-N
-rxn:4:215299:223179,CONC(=O)c1cc(-c2ccc3c(c2)C2CC(c4ccc(OC)cc4)=NN2C2(CCN(C(C)=O)CC2)O3)ccc1F,ZKOCWCDFLWFABR-UHFFFAOYSA-N
-rxn:4:215299:223279,COc1ccc(C2=NN3C(C2)c2cc(-c4cnc(C5CCCN5)nc4)ccc2OC32CCN(C(C)=O)CC2)cc1,XPKCGLMOYQUGEE-UHFFFAOYSA-N
-rxn:4:215300:224164,Cc1cc2cnn(C3CCCCO3)c2cc1-c1ccc2c(c1)C1CC(c3ccco3)=NN1C1(CCN(Cc3ccccc3)CC1)O2,FEIRYPIKCXTAJF-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:4:215304:226844,Cc1ccc(C2=NN3C(C2)c2cc(-c4ccnc(C(=O)C(F)(F)F)c4)ccc2OC32CCN(Cc3ccccc3)CC2)cc1,LUCHVVRVYXZMMJ-UHFFFAOYSA-N
-rxn:4:215907:224125,CN1CCN(S(=O)(=O)c2ccc(-c3ccc(CN4CCN(C5CC5)CC4)cc3)cn2)CC1,NGNWUIQYCCXEBW-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:4:215945:223994,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cc(N2CCC(N(C)C)CC2)ccn1,CFEVDGKETKPZFO-UHFFFAOYSA-N
-rxn:4:215966:224397,CC1CCN(c2cc(C3CC3)nc(-c3ccc(S(=O)(=O)N4CCC(=O)CC4)cc3)n2)CC1,FCRMBLRYBSFPOI-UHFFFAOYSA-N
-rxn:4:215977:224022,CC1CCCN(c2cc(C(C)C)nc(-c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)n2)C1,SCAMIVPXICMGBE-UHFFFAOYSA-N
-rxn:4:215983:224022,Cc1cc(N2CCN(C(C)C)CC2)ncc1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1,NVAJRTUMYFHFHQ-UHFFFAOYSA-N
-rxn:4:216196:224404,N#Cc1cc(-c2ccc(S(=O)(=O)N3CCOCC3)c(F)c2)cnc1N1CC2CCCC2C1,QRLBSOKUOKPROU-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:4:216356:223279,COc1ccc(C2=NN3C(C2)c2cc(-c4cnc(C5CCCN5)nc4)ccc2OC32CCN(C)CC2)cc1,SMPOKPVFROTBKX-UHFFFAOYSA-N
-rxn:4:217192:223606,CC1CCCN(c2ncc(-c3ccc(S(=O)(=O)N4CCC5(CC4)OCCO5)c(F)c3)cn2)C1,CZKMDGCFCPLHSQ-UHFFFAOYSA-N
-rxn:4:217857:223994,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cnn(C)c1C12CCN(C)CC1O2,SNXCAEFUUIVNCW-UHFFFAOYSA-N
-rxn:4:217857:224011,CN1CCN(S(=O)(=O)c2ccc(-c3cnn(C)c3C34CCN(C)CC3O4)cc2F)CC1,ZQTFRVNQISDMCS-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:4:218589:223697,N#Cc1ccc(S(=O)(=O)N2CCCC(COc3ncc(-c4ccc(S(=O)(=O)N5CCCCC5)cc4C(F)(F)F)cn3)C2)cc1,KKYBRHCBNIOECN-UHFFFAOYSA-N
-rxn:4:218603:223179,CONC(=O)c1cc(-c2cnc(OCC3CCCN(C(=O)CN4C(=O)CCC4=O)C3)nc2)ccc1F,CJRZYJLFXRUCMH-UHFFFAOYSA-N
-rxn:4:218621:226844,O=C1CCCC(=O)N1CCS(=O)(=O)N1CCC(Oc2ncc(-c3ccnc(C(=O)C(F)(F)F)c3)cn2)C1,RPMBPGQMWGGWHM-UHFFFAOYSA-N
-rxn:4:218629:224196,CCN1CCN(Cc2cc(F)cc(-c3cnc(OCC4CCCN(C(=O)Cc5c(C)noc5C)C4)nc3)c2)CC1,OCQDRCHFRWKWAI-UHFFFAOYSA-N
-rxn:4:218631:223279,O=C1C(N2CCC(COc3ncc(-c4cnc(C5CCCN5)nc4)cn3)CC2)CCN1CC(F)(F)F,JWJOHCKZDYYKLH-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:4:218631:225672,O=C1C(N2CCC(COc3ncc(-c4cc(F)nc(C5CCCCC5)c4)cn3)CC2)CCN1CC(F)(F)F,RYYAZXPHHKPXCM-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:4:218656:226411,COc1cc(=O)n(C)cc1C(=O)N1CCCC(COc2ncc(-c3ccc(N4CCOCC4)cc3)cn2)C1,IRAHAQASQGKXKG-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:4:218668:223179,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:4:218668:226844,O=C(CN1CCN(c2ccccc2)C1=O)N1CCC(Oc2ncccc2-c2ccnc(C(=O)C(F)(F)F)c2)C1,ZZCPYOZXKTZDMP-UHFFFAOYSA-N
-rxn:4:218674:223279,Cc1nn(CCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c(C)c1-c1cnc(C2CCCN2)nc1,DBLZZHXCQUYUPE-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:4:218681:224376,CC(=O)N1CCC(C(=O)N2CCC(COc3ncc(-c4cccc(S(=O)(=O)N5CCN(C)CC5)c4)cn3)CC2)CC1,CWVFNMRQKDWALP-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:4:218695:223279,Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCn3nc(C)c(-c4cnc(C5CCCN5)nc4)c3C)CC2)cc1,KMJQCPNADPYGSP-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:4:218698:223179,CONC(=O)c1cc(-c2ccc(N3CC(C(=O)N4CCN(CCc5ccncc5)CC4)CC3=O)cc2)ccc1F,QCQYKTACBSQNRU-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:4:218769:223179,CONC(=O)c1cc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCCC4)CC3)c2)ccc1F,MPAWZPAFKBYZSZ-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:4:218772:226844,O=C(CN1CCN(C(=O)Cn2ccc3cc(-c4ccnc(C(=O)C(F)(F)F)c4)ccc32)CC1)N1CCOCC1,SWBIIRCQRSUQTE-UHFFFAOYSA-N
-rxn:4:218773:223179,CONC(=O)c1cc(-c2ccc(-n3c(SCC(=O)N4CCN(c5ccccc5)CC4)nc4c(c3=O)SCC4)cc2)ccc1F,YTEPDFWZJNMJDO-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:4:218788:226844,CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C2CCCCC2)c1=NC(=O)c1ccccc1-c1ccnc(C(=O)C(F)(F)F)c1,IDJPPLXTIGKOMN-UHFFFAOYSA-N
-rxn:4:218815:223279,O=C(CN1C(=O)CCC1=O)N1CC(Cn2cc(-c3cnc(C4CCCN4)nc3)cn2)C1,PHICYRSMDDBAGS-UHFFFAOYSA-N
-rxn:4:218831:223812,O=C(c1cscn1)N1CCC(COc2ncc(-c3cc(F)cc(CN4CCC5(CC4)OCCO5)c3)cn2)CC1,IKQQPUVVIIXTEX-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:4:218885:224592,Cc1ncsc1C(=O)N1CCC(COc2ncc(-c3cc(C4(C#N)CCCCC4)ccc3F)cn2)CC1,CBSYNOULFWEETI-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:4:218943:223179,CONC(=O)c1cc(-c2cnc(N(C)C3CCN(C(=O)OC(C)(C)C)C3)cn2)ccc1F,MTQZQSJKGDRIQZ-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:4:218944:226844,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:4:218963:223179,CONC(=O)c1cc(-c2cnn(C)c2C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)ccc1F,XOGWGCCQHLVMPT-UHFFFAOYSA-N
-rxn:4:218976:223279,O=C1C(N2CCC(Oc3ncc(-c4cnc(C5CCCN5)nc4)cn3)CC2)CCN1CC(F)(F)F,HXYRXXNHSLYFAM-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:4:218991:223179,CONC(=O)c1cc(-c2cn(C)nc2CN2CCN(C(=O)OC(C)(C)C)CC2)ccc1F,TYSJJSQOEBUATD-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:4:218998:223945,O=C(N1CCOCC1)N1CCCC(COc2ncc(-c3ccc(OCCCN4CCOCC4)c(F)c3)cn2)C1,UYIXHIHZDHYGHS-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:4:219000:224867,O=c1cccnn1CCN1CCN(S(=O)(=O)c2ccc(-c3ccc(OCC4CCCCC4)cc3)cc2)CC1,RLAFHNRLZBCHEC-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:4:219046:224406,O=C1C(N2CCCC(COc3ncc(-c4ccc(F)c(S(=O)(=O)N5CCOCC5)c4)cn3)C2)CCN1C1CC1,AHOMHFGIIDNYFV-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:4:219061:223179,CONC(=O)c1cc(-c2cnc(OC3CCCN(C(=O)C4CCN(S(C)(=O)=O)CC4)C3)nc2)ccc1F,DEGQGPCFMJMTTC-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:4:219067:223179,CONC(=O)c1cc(-c2cccc(N3CC(C(=O)N4CCC(Cn5ccnc5)CC4)CC3=O)c2)ccc1F,XYDWFSWUZJQSEH-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:4:219078:223279,O=C(c1ccccc1-c1cnc(C2CCCN2)nc1)N1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2)CC1,WFNUIVKGLNFNQX-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:4:219135:223279,COc1ccc(N2C(=O)C3N=NN(Cc4ccc(OC)c(-c5cnc(C6CCCN6)nc5)c4)C3C2=O)cc1,WDSCBOADVQEGAZ-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:4:219182:223279,COc1ccc(-c2cnc(C3CCCN3)nc2)c(C(=O)N2CCN(C(=O)c3cc4n(n3)CCCC4)CC2)c1,OKKHKAUZZIBFJI-UHFFFAOYSA-N
-rxn:4:219243:224617,CC(C)(C)OC(=O)N1CC(n2cnc(-c3ccc(OCCN4CCCC4)c(Cl)c3)n2)C1,UVKXBPZGYUZZCY-UHFFFAOYSA-N
-rxn:4:219315:223650,CC(C)(C)OC(=O)N1CCN(c2ccccc2-c2cnc(N3CCC(COc4ccc(F)cn4)C3)nc2)CC1,ZVNQLPATTBADAB-UHFFFAOYSA-N
-rxn:4:219353:226330,CC(c1ccc(-c2cnc(OC3CCN(S(=O)(=O)N(C)C)CC3)nc2)s1)N1CCCC1,ZESQJGLQNJBKJR-UHFFFAOYSA-N
-rxn:4:219353:226661,CN1CCN(c2csc(-c3cnc(OC4CCN(S(=O)(=O)N(C)C)CC4)nc3)c2)CC1,JVJXNRYHKWGFAL-UHFFFAOYSA-N
-rxn:4:219353:226662,CN1CCN(c2ccc(-c3cnc(OC4CCN(S(=O)(=O)N(C)C)CC4)nc3)s2)CC1,CHMZTUSMOARPNF-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:4:219414:226844,N#Cc1cc(-c2ccnc(C(=O)C(F)(F)F)c2)cnc1N1CCOC(C(=O)N2CCCC2)C1,FDUTZHVFUHAVAY-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:4:219456:223179,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:4:219463:223945,Cc1cc(OCC2CCN(c3ncc(-c4ccc(OCCCN5CCOCC5)c(F)c4)cn3)CC2)ccn1,PMDKBQGBLFXKKD-UHFFFAOYSA-N
-rxn:4:219468:223279,O=C(N1CCOCC1)N1CCC(Oc2ncc(-c3cnc(C4CCCN4)nc3)cn2)CC1,GYASJUFYCAQNGK-UHFFFAOYSA-N
-rxn:4:219469:223179,CONC(=O)c1cc(-c2cnc(SC)nc2N2CCCN(S(=O)(=O)C3CC3)CC2)ccc1F,QWDVQBUJIQFYEZ-UHFFFAOYSA-N
-rxn:4:219469:223279,CSc1ncc(-c2cnc(C3CCCN3)nc2)c(N2CCCN(S(=O)(=O)C3CC3)CC2)n1,CYRARQSWWVHFLP-UHFFFAOYSA-N
-rxn:4:219471:223179,CONC(=O)c1cc(-c2cnc(SC)nc2N2CCOC(C(=O)N3CCCC3)C2)ccc1F,FONXLKCKIVOTBH-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:4:219487:223179,CONC(=O)c1cc(-c2cnc(N3CCCN(C(=O)OC(C)(C)C)CC3)cn2)ccc1F,ZYULGKJAQJFTPR-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:4:219489:226844,Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1ccnc(C(=O)C(F)(F)F)c1,DHLPMLJTCUXODJ-UHFFFAOYSA-N
-rxn:4:219497:224672,CCN1CCN(c2ccc(-c3cnc(N4CCOC(C(=O)N5CCCCC5)C4)c(C#N)c3)c(Cl)c2)CC1,SRCOSDRBMIWQTI-UHFFFAOYSA-N
-rxn:4:219500:223179,CONC(=O)c1cc(-c2cnc(N3CCCC(C(=O)N4CCSCC4)C3)c(C#N)c2)ccc1F,ZGSLDSNUXDMICA-UHFFFAOYSA-N
-rxn:4:219500:226505,CC(C)COc1ncc(-c2cnc(N3CCCC(C(=O)N4CCSCC4)C3)c(C#N)c2)cc1Cl,QXHQHIFQXAKUMR-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:4:219501:223179,CONC(=O)c1cc(-c2cnc(SC)nc2N2CCOC(C(=O)N3CCOCC3)C2)ccc1F,NYZLFJVGSNWQJF-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:4:219507:223179,CONC(=O)c1cc(-c2ccccc2C(=O)N2CCC(n3nc(C(F)(F)F)n(C)c3=O)CC2)ccc1F,SOLBWDLPTBXZOM-UHFFFAOYSA-N
-rxn:4:219529:223279,COc1nc(N2CCCC(C(=O)N3CCOCC3)C2)ncc1-c1cnc(C2CCCN2)nc1,ZOGRBLDLUPJOEE-UHFFFAOYSA-N
-rxn:4:219531:223279,CSc1ncc(-c2cnc(C3CCCN3)nc2)c(N2CCOC(C(=O)N3CCCCC3)C2)n1,GPJFZJHVNUPEHD-UHFFFAOYSA-N
-rxn:4:219533:223179,CONC(=O)c1cc(-c2cnc(SC)nc2N2CCCC(C(=O)N3CCOCC3)C2)ccc1F,QPUZOYHDRKLLBK-UHFFFAOYSA-N
-rxn:4:219533:224730,CSc1ncc(-c2cc(C(F)(F)F)ccc2OCC(C)C)c(N2CCCC(C(=O)N3CCOCC3)C2)n1,MSCWBNCPTOOLCA-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:4:219538:223279,N#Cc1cc(-c2cnc(C3CCCN3)nc2)cnc1N1CCC(C(=O)N2CCC(F)(F)CC2)CC1,MROXNGGURPCJCV-UHFFFAOYSA-N
-rxn:4:219551:223279,CC(C)N1CCC(N2CCC(Oc3ncc(-c4cnc(C5CCCN5)nc4)cn3)CC2)C1=O,WUKHPCRAIWFXRF-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:4:219560:226844,Cc1nc(S(=O)(=O)N2CCCN(C(=O)c3ccccc3-c3ccnc(C(=O)C(F)(F)F)c3)CC2)cn1C,PUPYTQWMOJQBPT-UHFFFAOYSA-N
-rxn:4:219569:223279,COc1cc(N2CCC(N3CCN(C)CC3)CC2)c(-c2cnc(C3CCCN3)nc2)cc1[N+](=O)[O-],LTPFLUGSAVISIL-UHFFFAOYSA-N
-rxn:4:219627:223179,CONC(=O)c1cc(-c2nnc(N3CC4CCC(C3)N4C(=O)OC(C)(C)C)s2)ccc1F,YTXJRZQNMPAMNT-UHFFFAOYSA-N
-rxn:4:219627:223279,CC(C)(C)OC(=O)N1C2CCC1CN(c1nnc(-c3cnc(C4CCCN4)nc3)s1)C2,BZYGVDFISHMEHF-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:4:219676:223523,CCN1CCN(S(=O)(=O)c2ccc(-c3cncc(C(=O)N4CCC(Oc5cnc6ccccc6n5)CC4)c3)c3ccccc23)CC1,DPIXCWKGFXFAPT-UHFFFAOYSA-N
-rxn:4:219687:225105,CCN(CC)C(=O)c1ccc(-c2ccc3nnn(C4CCN(C(=O)OC(C)(C)C)CC4)c3c2)cc1F,YJMHSLSHIWAKJZ-UHFFFAOYSA-N
-rxn:4:219690:223179,CONC(=O)c1cc(-c2cc3c(cc2F)nnn3C2CCN(C(=O)OC(C)(C)C)CC2)ccc1F,WBYAJEKIPYUDPJ-UHFFFAOYSA-N
-rxn:4:219690:226844,CC(C)(C)OC(=O)N1CCC(n2nnc3cc(F)c(-c4ccnc(C(=O)C(F)(F)F)c4)cc32)CC1,WPZSAIKMVJRKAC-UHFFFAOYSA-N
-rxn:4:219691:223880,Cc1ccc2c(c1)cc(-c1cnn3c(Cl)cc(C4CCCN(C(=O)OC(C)(C)C)C4)nc13)n2C(=O)OC(C)(C)C,HLFQBGVNXROQCA-UHFFFAOYSA-N
-rxn:4:219704:225882,CC(C)(C)OC(=O)N1CCN(c2cnc3ccc(-c4cnc(Cl)c(C5CCOCC5)c4)cc3n2)CC1,AANFYLYXZLLBDZ-UHFFFAOYSA-N
-rxn:4:219710:223179,CONC(=O)c1cc(-c2ccc(N3N=NC4C(=O)N(c5cc(OC)cc(OC)c5)C(=O)C43)cc2C)ccc1F,RPGRJFKSELIYTO-UHFFFAOYSA-N
-rxn:4:219766:223179,CONC(=O)c1cc(-c2cncc(C(=O)N3CCC(Cn4nc5c(cc4=O)CCCC5)CC3)c2)ccc1F,XWRWFRAAICXRLS-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:4:219905:224818,N#Cc1cc(-c2ccc(S(=O)(=O)N3CCSCC3)cc2)cnc1N1CCN(C2CCC2)CC1,QWVIBKHQTULLKJ-UHFFFAOYSA-N
-rxn:4:219908:224327,CC1CCCN(S(=O)(=O)c2cccc(-c3ccc(-c4nc(C#N)c(N5CCCN(C)CC5)o4)o3)c2)C1,FPGUHDYYLPCHJD-UHFFFAOYSA-N
-rxn:4:219955:226259,CCCCOc1ccc(-c2cnc(N3CCOC(C(=O)N4CCSCC4)C3)nc2)cc1Cl,JOBYCCVZJBFCKJ-UHFFFAOYSA-N
-rxn:4:219959:223179,CONC(=O)c1cc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)nc2)ccc1F,ANXMGTZTLRDIOB-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:4:219975:226844,O=C(C1CN(c2ncc(-c3ccnc(C(=O)C(F)(F)F)c3)cn2)CCO1)N1CCCCC1,OIMDTSCPULSZJP-UHFFFAOYSA-N
-rxn:4:219981:223696,O=C(C1CCCN(c2ncc(-c3ccc(S(=O)(=O)N4CCC5(CC4)OCCO5)cc3)cn2)C1)N1CCSCC1,IPIKMRRYNGLNBY-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:4:219998:226844,O=C(C1CCN(c2ncc(-c3ccnc(C(=O)C(F)(F)F)c3)cn2)CC1)N1CCC(F)(F)CC1,DYOBHBGFORLHAF-UHFFFAOYSA-N
-rxn:4:220040:224740,CN(C(C)(C)C)S(=O)(=O)c1cccc(-c2nc3n(n2)CCN(C(=O)OC(C)(C)C)C3)c1,QJJQDRALEJFXTK-UHFFFAOYSA-N
-rxn:4:220041:223846,Cc1cc(-c2nnn3c2CN(C(=O)OC(C)(C)C)CC3)cc(C2CC3CCC2(C)C3(C)C)c1,CGXRYEULQOIPBS-UHFFFAOYSA-N
-rxn:4:220131:226844,N#Cc1cc(-c2ccnc(C(=O)C(F)(F)F)c2)cnc1N1CC(N2CC3CCCC3C2)C1,YXOPIQZDALOHGO-UHFFFAOYSA-N
-rxn:4:220149:222932,COCCNS(=O)(=O)c1ccc(-c2ccc3c(N4CC(C(=O)N5CCOCC5)CC4=O)[nH]nc3c2)cc1,PVKRQMCLZLRTKP-UHFFFAOYSA-N
-rxn:4:220149:223179,CONC(=O)c1cc(-c2ccc3c(N4CC(C(=O)N5CCOCC5)CC4=O)[nH]nc3c2)ccc1F,WRLQEUUTJQOOJX-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:4:220171:223830,CCN1CCN(S(=O)(=O)c2cc(-c3ccc4nc(N5CCN(C(=O)c6nc7ccccc7s6)CC5)sc4c3)ccc2C)CC1,UBAXXCYFLYLBAG-UHFFFAOYSA-N
-rxn:4:220191:223834,Cc1cc(-c2ccc3nc(N4CCOC(C(=O)N5CCCC5)C4)ncc3c2)cc(C)c1S(=O)(=O)N1CCN(C)CC1,GITXANDFUSOKBM-UHFFFAOYSA-N
-rxn:4:220430:223831,COc1ccc(-c2cnc(N3CCCN(C4CCSC4)CC3)nc2)cc1S(=O)(=O)N1CCC(C)CC1,WDWNAXBOQUAVQS-UHFFFAOYSA-N
-rxn:4:220536:224376,CN1CCN(S(=O)(=O)c2cccc(-c3ccc4ncnc(N5CCN(C6CCC6)CC5)c4c3)c2)CC1,RHTURXKOWMOBSE-UHFFFAOYSA-N
-rxn:4:220536:224377,CN1CCN(S(=O)(=O)c2ccc(-c3ccc4ncnc(N5CCN(C6CCC6)CC5)c4c3)cc2)CC1,VTKONKOAMUFREF-UHFFFAOYSA-N
-rxn:4:220537:222630,c1cc2nc(N3CCN(C4CCC4)CC3)ncc2cc1-c1cc(C2CCC2)nc(C2CCNCC2)c1,BRXBHMAYAXYGMD-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:4:221105:226844,CCn1cc(S(=O)(=O)N2CCCC(COc3ncc(-c4ccnc(C(=O)C(F)(F)F)c4)cn3)C2)nc1C,KYWKSKMRYAQQMB-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:4:221114:222699,CCOc1ccc(-c2ccc(C3CCCNC3)c(C(F)(F)F)c2)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N3CCCC3)n2)CC1,LYXMAVGIFQTPTD-UHFFFAOYSA-N
-rxn:4:221114:229080,CCOc1ccc(-c2cnc(C3CC3)s2)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N3CCCC3)n2)CC1,RAXOTOYIHADGCZ-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:4:221169:222847,Cn1cc(S(=O)(=O)N2CCCC(COc3ncc(-c4cc(C#N)cc(C5CCCNC5)c4)cn3)C2)cn1,YHXPKJIHCVRBHX-UHFFFAOYSA-N
-rxn:4:221169:224849,Cn1cc(S(=O)(=O)N2CCCC(COc3ncc(-c4cc(C5CCCC5)cc(C5CC5)c4)cn3)C2)cn1,DJYJDMMSQZERNQ-UHFFFAOYSA-N
-rxn:4:221180:225093,CCCOc1c(Cl)cc(-c2cnc(OCC3CCN(C(=O)c4cc(C)n(C)n4)CC3)nc2)cc1OCC,ILYBAAAIFMTIOH-UHFFFAOYSA-N
-rxn:4:221193:225927,CN1CCN(C(=O)N2CCCC(COc3ncc(-c4cc(C(F)(F)F)ccc4N(C)C)cn3)C2)CC1,UOTBUPWHZZALIO-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:4:221194:226246,CCCCOc1cccc(-c2cnc(OC3CCN(S(=O)(=O)c4cn(C)c(C(C)C)n4)CC3)nc2)c1F,YJXGTVNZWSCWIY-UHFFFAOYSA-N
-rxn:4:221196:223945,Cc1c(C(=O)N2CCCC(Oc3ncc(-c4ccc(OCCCN5CCOCC5)c(F)c4)cn3)C2)cnn1-c1ccccc1,SOLKWPONRYFKJU-UHFFFAOYSA-N
-rxn:4:221202:223279,O=C(c1ccccc1-c1cnc(C2CCCN2)nc1)N1CCN(Cc2nncn2C2CCCCC2)CC1,IVSGMRGSNJYACW-UHFFFAOYSA-N
-rxn:4:221203:224773,Cc1cc(-c2ccc(CCN3CCN(c4ccc(N5CCOCC5)nn4)CC3)cc2)ccc1S(=O)(=O)N1CCCC1,QQOMNMYJDXTTRX-UHFFFAOYSA-N
-rxn:4:221205:223179,CONC(=O)c1cc(-c2ccc(CCN3CCN(c4ccnc(N5CCOCC5)n4)CC3)cc2)ccc1F,JHQIZHHLJMSXQQ-UHFFFAOYSA-N
-rxn:4:221230:222722,N#Cc1cc2c(nc1N1CCCC(COc3ncc(-c4cccc(S(=O)(=O)N5CCC(O)CC5)c4)cn3)C1)CCC2,CYZAHUDZRRIATE-UHFFFAOYSA-N
-rxn:4:221341:223679,CCN1CCN(S(=O)(=O)c2c(C)cc(-c3cnc(OCC4CCCN(c5cnccn5)C4)nc3)cc2C)CC1,BAXLUYFGPFYMGA-UHFFFAOYSA-N
-rxn:4:221365:223787,Cc1nccnc1N1CCCC(COc2ncc(-c3ccc(OCCCN4CCN(C)CC4)c(F)c3)cn2)C1,KPXVVPJHYONSAR-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:4:221387:224323,Cc1cc(-c2cnc(N3CCC(COc4ncnc(C)c4C)CC3)nc2)cc(C)c1S(=O)(=O)N1CCCC1,NLWFEWSJNNMINR-UHFFFAOYSA-N
-rxn:4:221413:223179,CONC(=O)c1cc(-c2ccc(C(=O)N3CCN(c4cc(N5CCOCC5)ncn4)CC3)o2)ccc1F,SGDOLNMTGQGSRJ-UHFFFAOYSA-N
-rxn:4:221415:225859,Cc1cc(N(C)C)nc(N2CCN(S(=O)(=O)c3ccc(-c4cnc(N5CCCCC5)c(Cl)c4)cc3)CC2)n1,UZAIWBHOLRECIY-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:4:221435:226844,O=C(c1cccc(-c2ccnc(C(=O)C(F)(F)F)c2)c1)N1CCN(c2ccc(N3CCCCC3)nn2)CC1,RVEPFCGXYVPZHI-UHFFFAOYSA-N
-rxn:4:221437:223179,CONC(=O)c1cc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCCCCC5)nn4)CC3)o2)ccc1F,UGJUIRZYDDKLHL-UHFFFAOYSA-N
-rxn:4:221438:223179,CONC(=O)c1cc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCCCC5C)nn4)CC3)o2)ccc1F,MFTQHQVQUPWVIC-UHFFFAOYSA-N
-rxn:4:221438:223279,CC1CCCCN1c1ccc(N2CCN(C(=O)c3ccc(-c4cnc(C5CCCN5)nc4)o3)CC2)nn1,WQXWTRXTTOSKIS-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:4:221439:226844,O=C(c1cc(-c2ccnc(C(=O)C(F)(F)F)c2)ccc1Cl)N1CCN(c2ccc(N3CCCCC3)nn2)CC1,DOKFHCIDTNOHNX-UHFFFAOYSA-N
-rxn:4:221440:226153,COc1cc(C)c(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCCC5)n4)CC3)cc2)cc1C1CC1,IRJGJDYBHCPHQK-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:4:221442:223179,CONC(=O)c1cc(-c2ccccc2CN2CCN(c3cc(N4CCOCC4)nc(C)n3)CC2)ccc1F,WMZFDGHCEVABSF-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:4:221449:223134,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cnccc4C4CCCNC4)cc3)CC2)n1,UJZBUMPSDUEHIK-UHFFFAOYSA-N
-rxn:4:221449:226612,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cnc(N5CCCCC5)nc4)cc3)CC2)n1,QFMXMQKYWGPTFO-UHFFFAOYSA-N
-rxn:4:221456:228803,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc([Si](C)(C)C)cs4)cc3)CC2)n1,LSANAYSQCNCZHO-UHFFFAOYSA-N
-rxn:4:221498:224627,CN(C)C1CN(C(=O)c2ccc(-c3c[nH]c4ncnc(N5CCN(C(=O)OC(C)(C)C)CC5)c34)cc2)C1,CXRLXHNYNTXJGD-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:4:221642:223279,O=C1CN(C2CCN(c3ncc(-c4cnc(C5CCCN5)nc4)cn3)CC2)C(=O)N1C1CC1,CIAUHLPMUKBVQN-UHFFFAOYSA-N
-rxn:4:221642:223773,COc1cccc2cc(-c3cnc(N4CCC(N5CC(=O)N(C6CC6)C5=O)CC4)nc3)n(C(=O)OC(C)(C)C)c12,UNJONMVXRXYZGI-UHFFFAOYSA-N
-rxn:4:221726:225798,CN(C1=NS(=O)(=O)c2ccccc21)C1CCN(c2ncc(-c3ccc(OC4CCOCC4)nc3)cn2)CC1,OSTQAFSWBKNTOQ-UHFFFAOYSA-N
-rxn:4:221726:225803,CN(C1=NS(=O)(=O)c2ccccc21)C1CCN(c2ncc(-c3ccnc(OC4CCOCC4)c3)cn2)CC1,MDXQTVXALXNQNM-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:4:221792:226844,CC1CN(C2CCCCC2)c2nc3c(c(=O)n(Cc4ccc(-c5ccnc(C(=O)C(F)(F)F)c5)cc4)c(=O)n3C)n2C1,VLXFEIJJHACVKL-UHFFFAOYSA-N
-rxn:4:221836:224960,COc1ccc(-c2cnc(N3CCCN(C4=NS(=O)(=O)c5ccccc54)CC3)nc2)cc1OC1CCCC1,FGBFXGSNHHVUPZ-UHFFFAOYSA-N
-rxn:4:221977:223929,CC(C)(C)OC(=O)N1CCc2cc(-c3cnc(OCC4CCCN(c5nccn6nc(C7CC7)cc56)C4)nc3)cnc2C1,UHICAUGRYUPCFF-UHFFFAOYSA-N
-rxn:4:221980:226844,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:4:221982:223179,CONC(=O)c1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C(C)C)cc6)C(=O)C54)n3)cc2)ccc1F,YCETZGMQFCWUIW-UHFFFAOYSA-N
-rxn:4:222015:222538,Cc1nccn1-c1cc(N2CCN(C(=O)c3ccc(-c4cc(C5CCCC5)nc(C5CCNCC5)c4)o3)CC2)ncn1,JJJKNQGLXDWPJB-UHFFFAOYSA-N
-rxn:4:222031:222987,Cc1nc(C2CCNCC2)ccc1-c1cc(C(F)(F)F)cnc1N1CCN(c2ccnc(N(C)C)n2)CC1,VHALUNQKUVZTOM-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:4:222039:227758,O=C(c1cc(-c2cc(F)ccc2C(F)(F)F)ccc1-n1cnnn1)N1CCN(C2CCS(=O)(=O)C2)CC1,GNLOUXXFEOKFCH-UHFFFAOYSA-N
-rxn:4:222056:225774,CC(C)OC(=O)c1cc(-c2cnc(N3CCN(c4cc(C(C)(C)C)nc(C5CC5)n4)CC3)nc2)ccc1F,MFRUFIHUXHMJHF-UHFFFAOYSA-N
-rxn:4:222331:222833,CC(C)CCC(=O)Nc1cccc(-c2cnc(N3CCN(c4nccc(N5CCOCC5)n4)CC3)nc2)c1,RSERZOANLRBZSH-UHFFFAOYSA-N
-rxn:4:222334:222538,Cc1cc(N2CCCC2)nc(N2CCN(c3ncc(-c4cc(C5CCCC5)nc(C5CCNCC5)c4)cn3)CC2)n1,QWNDTDAVOHUOFW-UHFFFAOYSA-N
-rxn:4:222334:224753,Cc1cc(N2CCCC2)nc(N2CCN(c3ncc(-c4cc(S(=O)(=O)N5CCCC5)ccc4C)cn3)CC2)n1,UBMVJESITQXMNT-UHFFFAOYSA-N
-rxn:4:222337:222793,Cc1cc(N2CCOCC2)nc(N2CCN(c3ncc(-c4cccc(NC(=O)OC(C)(C)C)c4F)cn3)CC2)n1,LWEVAYHZASXOPP-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:4:222364:223787,CN1CCN(CCCOc2ccc(-c3cnc(N4CCC(Cn5nc(-n6cncn6)ccc5=O)CC4)nc3)cc2F)CC1,SNOLOOBNNRTJQE-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:4:222523:176427,CC(C)(C)NS(=O)(=O)c1ccc(-c2cccc(OC(F)F)c2C(F)(F)F)c(C(F)(F)F)c1,BIDJSMQZEZODHC-UHFFFAOYSA-N
-rxn:4:222541:218970,Cc1noc(C)c1C(=O)N1CCCC(COc2ncc(-c3ccc(C(=O)NCCN4CCCCC4)cc3)cn2)C1,GKGKDTKZXXSIRL-UHFFFAOYSA-N
-rxn:4:222581:199820,CC(C)NS(=O)(=O)c1ccc(-c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)[C@@H](C)C3)cc2C(F)(F)F)c2ccccc12,AZCXCKFLJHSWBG-FQEVSTJZSA-N
-rxn:4:222600:183928,CC(c1ccc(-c2ccc3nc(NC(=O)OC(C)(C)C)sc3c2)cc1)N(C(=O)OC(C)(C)C)C1CC1,PAGGROSXYOADBY-UHFFFAOYSA-N
-rxn:4:222613:185496,CCCNS(=O)(=O)c1ccc(-c2ccc3c(c2)c(C(=O)OC)cn3C(=O)OC(C)(C)C)c(C(F)(F)F)c1,FZWAJUOGVCRDSH-UHFFFAOYSA-N
-rxn:4:222821:174481,CC(C)(C)NS(=O)(=O)c1cc(-c2cc(C(=O)OC(C)(C)C)cc(-c3cccc(C(F)(F)F)c3)c2)ccc1F,HVDVYIGFZVZTDR-UHFFFAOYSA-N
-rxn:4:222821:175661,CC(C)(C)NS(=O)(=O)c1cc(-c2cc(C(F)(F)F)cc(C(=O)OC(C)(C)C)c2F)ccc1F,SJOONUHZXFFLHA-UHFFFAOYSA-N
-rxn:4:222912:174522,CC(C)CNS(=O)(=O)c1ccc(-c2ccc(C#C[Si](C(C)C)(C(C)C)C(C)C)cc2)cc1,YOBAINLGEUKFEK-UHFFFAOYSA-N
-rxn:4:223080:199742,CC(C)NS(=O)(=O)c1ccc(-c2ccccc2CC2(C#N)CCN(C(=O)OC(C)(C)C)CC2)cc1,NOLYBHNPBNWSSQ-UHFFFAOYSA-N
-rxn:4:223082:186751,CNS(=O)(=O)c1c(C)cc(-c2ccc(N(C(=O)C(F)(F)F)C3C=CS(=O)(=O)C3)cc2)cc1C,RFMDXUQKVCNHBI-UHFFFAOYSA-N
-rxn:4:223092:199525,CCC(C(=O)OC(C)(C)C)n1cc(-c2cccc(NS(=O)(=O)N(C)C)c2)c(C(F)(F)F)n1,ATKCINSKOOXWAV-UHFFFAOYSA-N
-rxn:4:223541:205925,N#Cc1ccc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC3(CC2)OCCO3)cc1N1CCSC1,GXPHRECGJOTGFT-UHFFFAOYSA-N
-rxn:4:223541:205930,N#Cc1cc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC3(CC2)OCCO3)ccc1N1CCSC1,HUUSSDCUVQCMHR-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:4:223570:184936,CCN(C(=O)OC(C)(C)C)c1cccc(-c2c(F)ncc3c2ccn3[Si](C(C)C)(C(C)C)C(C)C)c1,OAQPBKLBJVYCPP-UHFFFAOYSA-N
-rxn:4:223570:185179,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc(CN(C(=O)c4ccc(F)cc4)C4CCS(=O)(=O)C4)o3)c(F)ncc21,JAQPNWQJVCZVBV-UHFFFAOYSA-N
-rxn:4:223570:186839,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccccc3N(C)C(=O)OC(C)(C)C)c(F)ncc21,LPBUWFOCQJFIOC-UHFFFAOYSA-N
-rxn:4:223580:177849,COC(=O)c1ccc2c(c1)cc(-c1cc(SC(F)(F)F)cc(C(C)(C)C)c1)n2C(=O)OC(C)(C)C,SVPMCWCGSSJJQC-UHFFFAOYSA-N
-rxn:4:223641:178371,CCc1cc2c(cc1F)cc(-c1cc(C(C)(C)C)cc(C(C)(C)C)c1OC)n2C(=O)OC(C)(C)C,IZYZFSAUWVJCOY-UHFFFAOYSA-N
-rxn:4:223771:187942,COc1ccc2c(c1)cc(-c1cccc3c1cc([Si](C)(C)C)n3C(=O)OC(C)(C)C)n2C(=O)OC(C)(C)C,HDIUOIKRVZNQMW-UHFFFAOYSA-N
-rxn:5:177851:225808:227300,CCOc1c(-c2cncc(OC3CCC3)c2)cc(C2OCCO2)cc1-c1cc(OC2CCCC2)ncc1F,QFULYPMWHDIPSW-UHFFFAOYSA-N
-rxn:5:177891:227375:227035,N#Cc1cc(C2CC2)cc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2ccc(N3CCCC3)nc2)c1,RBUCKFLGWDOVDK-UHFFFAOYSA-N
-rxn:5:178118:223294:227803,CN(C)S(=O)(=O)n1nccc1-c1ccc(-c2csc(N3CCNCC3)n2)c(OCC2CCCCO2)c1,RSUXUENEUJTGEQ-UHFFFAOYSA-N
-rxn:5:178118:225937:227709,CC(C)c1cnc(C(F)(F)F)cc1-c1ccc(-c2cccc(OC(F)(F)F)c2)cc1OCC1CCCCO1,PWJNCMKFJWXAPS-UHFFFAOYSA-N
-rxn:5:178118:227710:222956,Cc1ccc(-c2ccc(-c3ccc(OS(C)(=O)=O)cc3)c(OCC3CCCCO3)c2)c(C2CCCNC2)c1,ZOQLMOFFLQHRTQ-UHFFFAOYSA-N
-rxn:5:178121:227518:225591,COc1ccc(-c2c(OCC3CCOCC3)cccc2-c2cc(CN3CCCC3)ccc2F)c(F)c1C#N,UMUWUMRCZASILO-UHFFFAOYSA-N
-rxn:5:178295:226325:228625,CCc1ccc(-c2ccc(-c3ccc(C(C)(C)C#N)cc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)c1,XKFYVVHUIHOTFQ-UHFFFAOYSA-N
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-rxn:5:178295:227077:227319,CCC(C)c1ccc(-c2ccc(-c3cc(CC(C)C)ncc3F)cc2C2(C(=O)OC)CCC(=O)CC2)c(F)c1,MUWSAHANWPQPTI-UHFFFAOYSA-N
-rxn:5:178295:227102:227922,CCc1cc(OC)ccc1-c1ccc(-c2cc(C(C)(C)C)ccc2F)c(C2(C(=O)OC)CCC(=O)CC2)c1,BQYSPTPYYNDIAD-UHFFFAOYSA-N
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-rxn:5:178295:227309:228803,CCC(C)c1cc(-c2ccc(-c3cc([Si](C)(C)C)cs3)cc2C2(C(=O)OC)CCC(=O)CC2)cc(F)n1,HAVABHZKFQTPBF-UHFFFAOYSA-N
-rxn:5:178295:227311:227937,CCC(C)c1cc(F)c(-c2ccc(-c3cccc(SC(C)C)c3)cc2C2(C(=O)OC)CCC(=O)CC2)cn1,VCSUJBPBTQLSNS-UHFFFAOYSA-N
-rxn:5:178295:227313:227818,CCC(C)c1cccc(-c2ccc(-c3cc(C(C)CC)ncc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,ZUMBVZKZAHPDEF-UHFFFAOYSA-N
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-rxn:5:178295:227574:228419,COC(=O)C1(c2cc(-c3cc(F)c(SC)cc3F)ccc2-c2ccc(F)c(OC)c2OC)CCC(=O)CC1,DWQQACMSCGODIV-UHFFFAOYSA-N
-rxn:5:178295:227591:228430,COC(=O)C1(c2cc(-c3c(F)cc(SC)cc3F)ccc2-c2ccc(C(F)F)cc2OC)CCC(=O)CC1,KWABTOPCMJBIPP-UHFFFAOYSA-N
-rxn:5:178295:227724:227933,CCc1ccc(OC)cc1-c1ccc(-c2cc(OC(F)F)ccc2F)c(C2(C(=O)OC)CCC(=O)CC2)c1,OBRYJNFYRLWPPA-UHFFFAOYSA-N
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-rxn:5:178467:225833:225833,CCOC(=O)C1=Cc2cc(-c3ccnc(N4CCCCC4)c3F)cc(-c3ccnc(N4CCCCC4)c3F)c2OC1,RFYFWCVAFQJXFG-UHFFFAOYSA-N
-rxn:5:178467:226366:223062,CCOC(=O)C1=Cc2cc(-c3cnc(C4CCNCC4)cc3F)cc(-c3ccnc(N4CCCCC4)c3)c2OC1,NWIIIVPDGFHAMA-UHFFFAOYSA-N
-rxn:5:178467:226644:223061,CCOC(=O)C1=Cc2cc(-c3cc(C4CCNCC4)ncc3F)cc(-c3cncc(N4CCOCC4)c3)c2OC1,OQLGCSOUURQVNT-UHFFFAOYSA-N
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-rxn:5:180421:226371:226686,Cc1cc(N2CCCC2)ncc1-c1cc(CC2CCCCC2)ccc1-c1c(C)cnn1C1CCCCO1,GRZIRLDOZCBGPR-UHFFFAOYSA-N
-rxn:5:180602:225849:226663,COC(=O)C1Cc2cc(-c3ccc(N4CCSCC4)nc3)cc(-c3cnc(N4CCCCC4)cc3F)c2O1,BVNUTRAHCWEVKF-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
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-rxn:5:181625:225832:222996,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2ccc(F)cc2C2CCCNC2)cc1C1OCCO1,LCITXISOXKCXTJ-UHFFFAOYSA-N
-rxn:5:181628:225832:225633,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2ccc(N3CCCCCC3)nc2)c(C2OCCO2)c1,YDMGMWCZAQABJU-UHFFFAOYSA-N
-rxn:5:181904:226686:223007,Cc1cnn(C2CCCCO2)c1-c1ccc(C2OCCO2)c(C)c1-c1cc(F)cc(C2CCNCC2)c1,UEBLXQBIBSQBFG-UHFFFAOYSA-N
-rxn:5:181906:225407:225407,Cc1ccc(-c2ccc(C3CCCCCC3)cc2)c(C2OCCO2)c1-c1ccc(C2CCCCCC2)cc1,FTVYAEVHTPMKJQ-UHFFFAOYSA-N
-rxn:5:181906:225684:226686,Cc1ccc(-c2ccc(C3CCOCC3)nc2C)c(C2OCCO2)c1-c1c(C)cnn1C1CCCCO1,REULFOZXHXHYQM-UHFFFAOYSA-N
-rxn:5:181907:222959:222987,Cc1cc(-c2ccc(C3CCNCC3)c(C)c2)c(-c2ccc(C3CCNCC3)nc2C)c(C2OCCO2)c1,BHGPAZRMECQYNX-UHFFFAOYSA-N
-rxn:5:181907:223140:225832,Cc1cc(-c2ccnc(C3CCCNC3)c2)c(-c2c(C)nn(C3CCCCO3)c2C)c(C2OCCO2)c1,FXJZBTYKJXPHKG-UHFFFAOYSA-N
-rxn:5:181908:225466:225683,Cc1cc(-c2ccc(N3CCCCC3C)cc2)c(-c2ccc(C3CCCOC3)nc2C)cc1C1OCCO1,OAHDEFPXLSBKEG-UHFFFAOYSA-N
-rxn:5:182012:226686:225633,Cc1cnn(C2CCCCO2)c1-c1ccc(-c2ccc(N3CCCCCC3)nc2)c(C2CCCOC2)c1,XTKJBMMCGNBPFS-UHFFFAOYSA-N
-rxn:5:182013:225832:223141,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2cncc(C3CCNCC3)c2)c(C2CCOCC2)c1,DRNCGEYPCVQURL-UHFFFAOYSA-N
-rxn:5:188787:223065:226663,O=[N+]([O-])c1cc(-c2ccc(N3CCNCC3)cc2F)c(-c2ccc(N3CCSCC3)nc2)cc1OC1CC1,CZBPBZRWBDZFNS-UHFFFAOYSA-N
-rxn:5:188787:223065:226794,O=[N+]([O-])c1cc(-c2ccc(N3CCNCC3)cc2F)c(-c2cnc(N3CCSCC3)nc2)cc1OC1CC1,COOIKQKAVYUGQO-UHFFFAOYSA-N
-rxn:5:188787:225498:226794,O=[N+]([O-])c1cc(-c2cc(C3CCCCC3)ccc2F)c(-c2cnc(N3CCSCC3)nc2)cc1OC1CC1,AYNNJDKOYHDPBU-UHFFFAOYSA-N
-rxn:5:188930:226139:226182,COC(=O)c1cc(S(N)(=O)=O)c(-c2cc(C3CC3)cnc2C2CC2)cc1-c1cccnc1C1CCCCC1,DKBHTJAYVLTOKN-UHFFFAOYSA-N
-rxn:5:188930:226139:226324,COC(=O)c1cc(S(N)(=O)=O)c(-c2cc(C3CC3)cnc2C2CC2)cc1-c1cccnc1OC1CCCC1,ITSUNFDYMBFSHZ-UHFFFAOYSA-N
-rxn:5:189207:226744:226891,CCc1cc(-c2ccc(-c3cc(C(F)(F)F)cc(F)c3F)c(C(=O)ON3C(=O)CCC3=O)c2)cnc1C(F)(F)F,QIDJKUWOUURQKQ-UHFFFAOYSA-N
-rxn:5:189207:228306:225601,CC(C)Sc1ncc(-c2ccc(-c3ccc(C4(C#N)CCC4)cc3F)c(C(=O)ON3C(=O)CCC3=O)c2)cn1,BDXMJOHQMQXZCX-UHFFFAOYSA-N
-rxn:5:189209:223006:229082,CN(C)c1csc(-c2cc(C(=O)ON3C(=O)CCC3=O)cc(-c3ccc(F)c(C4CCNCC4)c3)c2)c1,CGDDTQZTUQDBPL-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:5:189209:227113:227375,Cc1cc(F)c(C2CC2)cc1-c1cc(C(=O)ON2C(=O)CCC2=O)cc(-c2ccc(N3CCCC3)nc2)c1,YUOOFWBTFNUMLD-UHFFFAOYSA-N
-rxn:5:189209:227113:227379,Cc1cc(F)c(C2CC2)cc1-c1cc(C(=O)ON2C(=O)CCC2=O)cc(-c2cccnc2N2CCCC2)c1,JWIQZSKSPHPROU-UHFFFAOYSA-N
-rxn:5:189209:228210:227113,Cc1cc(F)c(C2CC2)cc1-c1cc(C(=O)ON2C(=O)CCC2=O)cc(-c2ccc(N3CCCC3)s2)c1,WOXZYKQZBAJXMT-UHFFFAOYSA-N
-rxn:5:189209:228211:227113,Cc1cc(F)c(C2CC2)cc1-c1cc(C(=O)ON2C(=O)CCC2=O)cc(-c2cc(N3CCCC3)cs2)c1,UYIKXMVLBBNOMR-UHFFFAOYSA-N
-rxn:5:189212:222998:228791,CSc1ccc(-c2ccc(C(=O)ON3C(=O)CCC3=O)cc2-c2cc(F)cc(C3CCCNC3)c2)c(F)c1,RILLNEMIEVBTKI-UHFFFAOYSA-N
-rxn:5:189212:227113:227375,Cc1cc(F)c(C2CC2)cc1-c1cc(C(=O)ON2C(=O)CCC2=O)ccc1-c1ccc(N2CCCC2)nc1,ZWCKXMHZHYXBGW-UHFFFAOYSA-N
-rxn:5:189212:227113:227379,Cc1cc(F)c(C2CC2)cc1-c1cc(C(=O)ON2C(=O)CCC2=O)ccc1-c1cccnc1N1CCCC1,HJTNUYZYKKREBM-UHFFFAOYSA-N
-rxn:5:189212:227375:227113,Cc1cc(F)c(C2CC2)cc1-c1ccc(C(=O)ON2C(=O)CCC2=O)cc1-c1ccc(N2CCCC2)nc1,SREGXWLFRZVRDJ-UHFFFAOYSA-N
-rxn:5:189212:227379:227113,Cc1cc(F)c(C2CC2)cc1-c1ccc(C(=O)ON2C(=O)CCC2=O)cc1-c1cccnc1N1CCCC1,MXECRZYYQNQRAW-UHFFFAOYSA-N
-rxn:5:189212:227387:227113,Cc1cc(F)c(C2CC2)cc1-c1ccc(C(=O)ON2C(=O)CCC2=O)cc1-c1ccnc(N2CCCC2)c1,LQTDANWUVICBAC-UHFFFAOYSA-N
-rxn:5:189448:225640:227113,COC1CN(C(=O)c2ccc(-c3ccnc(N4CCCCC4C)c3)c(-c3cc(C4CC4)c(F)cc3C)c2)C1,YQMQQTLKXONWPN-UHFFFAOYSA-N
-rxn:5:189512:223064:225806,O=[N+]([O-])c1ccc(-c2ccc(C3CCNCC3)nc2F)cc1S(=O)(=O)c1cccc(-c2cnc(OC3CCCC3)cc2F)c1,ZZTWBTMJOIRMRQ-UHFFFAOYSA-N
-rxn:5:189540:225794:227803,COC1CN(Cc2cc(-c3cnc(OC4CCCCC4)nc3)ccc2-c2ccnn2S(=O)(=O)N(C)C)C1,GOWQFWQGPYKJOA-UHFFFAOYSA-N
-rxn:5:189718:223173:226182,O=[N+]([O-])c1cc(-c2cccnc2C2CCCCC2)c(-c2ccc3c(c2)C(O)CS3(=O)=O)cc1OC1CCOCC1,ULTURIURZABCGO-UHFFFAOYSA-N
-rxn:5:189718:223173:227093,O=[N+]([O-])c1cc(-c2cccnc2C2CCCC2)c(-c2ccc3c(c2)C(O)CS3(=O)=O)cc1OC1CCOCC1,GCUVJDWOGZXSLF-UHFFFAOYSA-N
-rxn:5:189827:226452:226610,CCc1cc(-c2ccc(CC(=O)N3CCOCC3)cc2-c2ccc(C3OCCCO3)cc2)cc(C(F)(F)F)c1,APNNZJJOWHIPKH-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:5:189952:222417:223061,COc1c(-c2cc(C3CCNCC3)ncc2F)cc(C(=O)N2CCOCC2)cc1-c1cnc(=O)[nH]c1C(C)C,QVNILNJNSDYRSX-UHFFFAOYSA-N
-rxn:5:189952:225818:228531,COc1c(-c2ccc(C(F)(F)F)cc2C2CC2)cc(C(=O)N2CCOCC2)cc1-c1cccc2c1CCO2,SFBCRRSVDNEDFD-UHFFFAOYSA-N
-rxn:5:189952:225978:225978,COc1c(-c2ccc(N3CCOCC3)nc2F)cc(C(=O)N2CCOCC2)cc1-c1ccc(N2CCOCC2)nc1F,XXINSUMUYBUWLS-UHFFFAOYSA-N
-rxn:5:189952:227379:227379,COc1c(-c2cccnc2N2CCCC2)cc(C(=O)N2CCOCC2)cc1-c1cccnc1N1CCCC1,IFOGHPLDZWQAAK-UHFFFAOYSA-N
-rxn:5:190127:225871:223294,COC1CCN(C(=O)c2cc(-c3cccc(N4C(=O)C=CC4=O)c3)ccc2-c2csc(N3CCNCC3)n2)CC1,LZOCDBUNSXULQC-UHFFFAOYSA-N
-rxn:5:190132:228109:226364,CCc1cc(-c2ccc(C(=O)N3CCC(OC)CC3)c(-c3ccc(N4CCCCC4)nc3)c2)cc(C#N)n1,CDRHGLCRGJPSLQ-UHFFFAOYSA-N
-rxn:5:190196:223062:228361,CN(C)c1cc(-c2cc(-c3cnc(C4CCNCC4)cc3F)ccc2CN(C)C2CCOCC2)c(F)cn1,PBJYCMBBMGGMQA-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:5:190196:228461:226686,Cc1cnn(C2CCCCO2)c1-c1cc(-c2cccnc2OC(F)F)ccc1CN(C)C1CCOCC1,XOVYTZJUNDVDCD-UHFFFAOYSA-N
-rxn:5:190198:225622:228150,COC(=O)c1ccc(-c2cccc(-c3ccccc3OC3CCCCO3)c2CN(C)C2CCOCC2)cc1,HUOQLEFVKWNJBW-UHFFFAOYSA-N
-rxn:5:190199:222417:223061,CC(C)c1[nH]c(=O)ncc1-c1ccc(-c2cc(C3CCNCC3)ncc2F)cc1CN(C)C1CCOCC1,VBFCULDDHQDVFA-UHFFFAOYSA-N
-rxn:5:190199:223062:228361,CN(C)c1cc(-c2ccc(-c3cnc(C4CCNCC4)cc3F)c(CN(C)C3CCOCC3)c2)c(F)cn1,WWBWMJICFVSPNJ-UHFFFAOYSA-N
-rxn:5:190199:223065:228366,CN(C)c1ncc(-c2ccc(-c3ccc(N4CCNCC4)cc3F)c(CN(C)C3CCOCC3)c2)cc1F,BEPVMRDMTXEJBD-UHFFFAOYSA-N
-rxn:5:190199:228361:223062,CN(C)c1cc(-c2ccc(-c3cnc(C4CCNCC4)cc3F)cc2CN(C)C2CCOCC2)c(F)cn1,VOXBOUWFBKKSMT-UHFFFAOYSA-N
-rxn:5:190200:225945:227766,CCn1nc(C(F)(F)F)cc1-c1cc(CN(C)C2CCOCC2)cc(-c2ccc(C#CC(F)(F)F)c(F)c2)c1,LRDLRKRFXDZLQP-UHFFFAOYSA-N
-rxn:5:190201:225978:222417,CC1CN(CCc2cc(-c3ccc(N4CCOCC4)nc3F)ccc2-c2cnc(=O)[nH]c2C(C)C)CCO1,KUQSQAHVOOTAIB-UHFFFAOYSA-N
-rxn:5:190201:226364:223113,CC1CN(CCc2cc(-c3ccc(N4CCCCC4)nc3)ccc2-c2ccc3c(c2)C(C)(C)C(=O)N3)CCO1,WAUYNBHOEAHFNP-UHFFFAOYSA-N
-rxn:5:190231:226446:227956,COc1c(-c2cc(C)nc(C(C)C)c2)cc(C(=O)N2CCOC(C)C2)cc1-c1ccc(C2CCOC2)nc1C,QSOFLWGVFULMSE-UHFFFAOYSA-N
-rxn:5:190307:226134:222996,Cc1c(-c2ccc(-c3ccc(F)cc3C3CCCNC3)c(CCN3CCC(C)CC3)c2)cc(C#N)cc1C1CC1,KUSAZBVBWKGSSD-UHFFFAOYSA-N
-rxn:5:190337:225407:227536,CCOc1cc(-c2cc(C(=O)N3CCC(C)CC3)cc(-c3ccc(C4CCCCCC4)cc3)c2OC)c(F)cc1F,IUEHFOOPCVFXRX-UHFFFAOYSA-N
-rxn:5:190337:226155:227833,CCc1cc(C)cc(C)c1-c1cc(C(=O)N2CCC(C)CC2)cc(-c2cc(C(C)=O)cc(C3CC3)c2)c1OC,HAJSKHXXHCESBD-UHFFFAOYSA-N
-rxn:5:190484:225784:227897,N#CC=Cc1cccc(-c2ccccc2C2CCN(C(=O)c3cccc(-c4ccc(CN5CCOCC5)nc4)c3)CCS2(=O)=O)c1,FCLRJLWDICSXKS-UHFFFAOYSA-N
-rxn:5:190484:227626:225634,Cc1cc(-c2ccccc2C2CCN(C(=O)c3cccc(-c4cnc(C5CCOC5)nc4)c3)CCS2(=O)=O)cnc1N1CCCCC1,WHEQKEWTRFAMJZ-UHFFFAOYSA-N
-rxn:5:190740:223061:225834,CCOC(=O)c1cnc2c(C)cc(-c3cc(C4CCNCC4)ncc3F)cc2c1-c1cc(N2CCCCC2)ncc1F,WQPCSAAXYWNTEL-UHFFFAOYSA-N
-rxn:5:190742:223061:223062,CCOC(=O)c1cnc2c(C)ccc(-c3cc(C4CCNCC4)ncc3F)c2c1-c1cnc(C2CCNCC2)cc1F,FLUYXNMTRQZQOZ-UHFFFAOYSA-N
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-rxn:5:197876:227352:227670,COC(=O)c1ccc(C)cc1-c1cc2c(cc1-c1cc(F)cc(C(C)(F)F)c1)C(=O)N(C(C)(C)C)S2(=O)=O,RLISMHQXZGGSTC-UHFFFAOYSA-N
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-rxn:5:197876:227412:227336,CC(C)Oc1cc(F)ccc1-c1cc2c(cc1-c1cnc(C(C)(C)C)cc1F)S(=O)(=O)N(C(C)(C)C)C2=O,JIKVWNAMEYSGDG-UHFFFAOYSA-N
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-rxn:5:197876:227717:226334,Cc1cc(C(=O)N(C)C)cc(-c2cc3c(cc2-c2ccc(F)cc2OC(F)F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,AYGNKITYIFRRGE-UHFFFAOYSA-N
-rxn:5:197876:227717:227048,CC(C)C(=O)c1ccc(-c2cc3c(cc2-c2ccc(F)cc2OC(F)F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1,IACJVSMVYRHPDS-UHFFFAOYSA-N
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-rxn:5:197876:227782:226974,CC1(C)OCc2cc(-c3cc4c(cc3-c3ccc(C(F)(F)F)nc3F)S(=O)(=O)N(C(C)(C)C)C4=O)ccc21,DOIYRVBHRALMNZ-UHFFFAOYSA-N
-rxn:5:197876:227788:227043,Cc1cc(OC(C)C)ccc1-c1cc2c(cc1-c1cc(C(F)(F)F)cnc1F)S(=O)(=O)N(C(C)(C)C)C2=O,KXZYWYDDRHGYAY-UHFFFAOYSA-N
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-rxn:5:197876:227908:226191,CC(C)Cc1ncccc1-c1cc2c(cc1-c1cc(C3CCCC3)ccc1F)C(=O)N(C(C)(C)C)S2(=O)=O,CPNDYEOCCIZGND-UHFFFAOYSA-N
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-rxn:5:227940:178295:227415,CCc1cc(SC)cc(-c2ccc(-c3ccc(C(C)(C)C)nc3F)cc2C2(C(=O)OC)CCC(=O)CC2)c1,DJKGBTIWSGLFOG-UHFFFAOYSA-N
-rxn:4:173338:224721,COC(=O)C(C(=O)OC)C(=O)c1ccc(-c2c(C)nn(CC(=O)OC(C)(C)C)c2C)cc1,PWKJRMJQQFOXPH-UHFFFAOYSA-N
-rxn:4:173502:228233,COC(=O)c1cc(OS(=O)(=O)C(F)(F)F)c([Si](C)(C)C)c(-c2cnc(C(C)=O)cc2C)c1,HUCSVAMYWMPBMD-UHFFFAOYSA-N
-rxn:4:173503:224269,COC(=O)c1cc(-c2cn(C(=O)OC(C)(C)C)c3cnccc23)c(OS(=O)(=O)C(F)(F)F)c([Si](C)(C)C)c1,BWFRYQONUBADBY-UHFFFAOYSA-N
-rxn:4:173544:224598,COC(=O)c1ccc(-c2ccc(N3CCC(C)CC3)cc2OC)c(OCCC2CCCCC2)c1,RLLLKPGKHUGZIM-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:4:173675:224842,Cc1oc2cc(-c3ccc4c(c3)C(C)(C)CCC4(C)C)c(OC(=O)C(C)(C)C)cc2c1C(=O)OC(C)C,CLNNKFUSHZIXRW-UHFFFAOYSA-N
-rxn:4:173704:222809,COc1cccc2c(-c3cc(Cl)ncc3NC(=O)OC(C)(C)C)ccc(O[Si](C(C)C)(C(C)C)C(C)C)c12,GZHLUMINEADFML-UHFFFAOYSA-N
-rxn:4:173723:222717,Cc1cc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)c(S(=O)(=O)NC(C)(C)C)cc1F,OIYZOQLNKNHHCE-UHFFFAOYSA-N
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-rxn:4:173723:223920,CN(C(=O)c1ccc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)c(Cl)c1)C1CCCCC1,DPBAEVRHYYXHME-UHFFFAOYSA-N
-rxn:4:173761:223559,COC(=O)C(=O)CC(=O)c1cccc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)c1,QUSRANYIRMMIHV-UHFFFAOYSA-N
-rxn:4:173783:223845,COC(=O)c1cc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCN(C)CC2)ccc1OCC(F)(F)F,LSSGRJMBISUGFL-UHFFFAOYSA-N
-rxn:4:173787:223580,COC(=O)c1ccc2c(c1)cc(-c1cc(OCC(F)F)c(F)cc1C(=O)OC)n2C(=O)OC(C)(C)C,FRYLOXQVPIXMTO-UHFFFAOYSA-N
-rxn:4:173789:223693,COC(=O)c1ccc(OCC(F)(F)F)c(-c2cc(O[Si](C)(C)C(C)(C)C)cc(C(F)(F)F)c2F)c1,WRIQRGILDGCIIF-UHFFFAOYSA-N
-rxn:4:173802:223022,COCCNC(=O)c1ccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)cc1,AXCXUOAZBUAQDS-UHFFFAOYSA-N
-rxn:4:173802:224621,O=S(=O)(OC(c1ccc(-c2ccc(OCCN3CCSCC3)cc2)cc1)C(F)(F)F)C(F)(F)F,QAYYRFPGCMMUDG-UHFFFAOYSA-N
-rxn:4:173802:225318,O=S(=O)(OC(c1ccc(-c2c(F)cc(N3CCOCC3)cc2F)cc1)C(F)(F)F)C(F)(F)F,RJOGWCTUAKWTPS-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:4:173921:223567,COC(=O)C(C(=O)OC)c1cccc(-c2cc3cc(OC(C)C)ccc3n2C(=O)OC(C)(C)C)c1,BOHNBUFZUNEALM-UHFFFAOYSA-N
-rxn:4:174009:224721,COC(=O)C(C(C)=O)C(=O)c1ccc(-c2c(C)nn(CC(=O)OC(C)(C)C)c2C)cc1,WHOCWDXIZXIIEH-UHFFFAOYSA-N
-rxn:4:174079:224246,COC(=O)c1cc(F)c(OCC2CC2)cc1-c1ccc(C(=O)N2CCC(C)CC2)c(F)c1,UGUCGWRZIZQFRB-UHFFFAOYSA-N
-rxn:4:174304:223888,CC(C)OC(=O)C(C)(C)Oc1ccc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CCC3)cc1,UTPRRRLXDZPSFH-UHFFFAOYSA-N
-rxn:4:174368:223754,COC(=O)c1ccc(-c2ccc(OCCCN3CCC(C)CC3)c(Cl)c2)cc1CS(=O)(=O)c1ccccc1,HQZAXLSHZUIYPU-UHFFFAOYSA-N
-rxn:4:174368:223845,COC(=O)c1ccc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCN(C)CC2)cc1CS(=O)(=O)c1ccccc1,ALUUFYRJWJZXRE-UHFFFAOYSA-N
-rxn:4:174406:224842,COC(=O)C1(c2ccc(-c3ccc4c(c3)C(C)(C)CCC4(C)C)cc2)CC(OC)(OC)C1,FRWVQVWOFCZLDE-UHFFFAOYSA-N
-rxn:4:174407:224174,CCN(C(=O)OC(C)(C)C)c1ccc(-c2cccc(C3(C(=O)OC)CC(OC)(OC)C3)c2)cc1,LARGDLCEBNOIMF-UHFFFAOYSA-N
-rxn:4:174428:224648,CC(C)(C)OC(=O)C(C)(C)Sc1ccc(-c2ccc(O[Si](C)(C)C(C)(C)C)cc2Cl)cc1,UZIHRAIDUOWCGV-UHFFFAOYSA-N
-rxn:4:174431:222809,CC(C)Oc1cc(C(=O)OC(C)(C)C)cc(-c2cc(Cl)ncc2NC(=O)OC(C)(C)C)c1,XUDOSIRABAVCGJ-UHFFFAOYSA-N
-rxn:4:174436:222936,CCC(=O)NS(=O)(=O)c1ccc(-c2cc(CC3(C(=O)OC(C)(C)C)CC3)ccc2Cl)cc1,TZLYISDLTNFEBS-UHFFFAOYSA-N
-rxn:4:174436:223103,CC(C)(C)NS(=O)(=O)c1ccc(-c2cc(CC3(C(=O)OC(C)(C)C)CC3)ccc2Cl)s1,WDNJRUVDTLSNNN-UHFFFAOYSA-N
-rxn:4:174481:222799,Cc1cc(-c2cc(C(=O)OC(C)(C)C)cc(-c3cccc(C(F)(F)F)c3)c2)ccc1S(=O)(=O)NC(C)(C)C,RFTRIXDEJQCGEP-UHFFFAOYSA-N
-rxn:4:174493:224746,CC(=O)N1CCN(c2ccc(-c3cc(C(=O)CCCC4OCC(C)(C)CO4)ccc3Cl)cn2)CC1,MYLBVPGLERQZQA-UHFFFAOYSA-N
-rxn:4:174514:223773,COc1cccc2cc(-c3cccc(O[Si](C(C)C)(C(C)C)C(C)C)c3)n(C(=O)OC(C)(C)C)c12,JFZMVKYLKPYCRA-UHFFFAOYSA-N
-rxn:4:174515:223884,CC(C)[Si](Oc1ccc(-c2ccc3c(c2)CCN(C(=O)OC(C)(C)C)C3)cc1)(C(C)C)C(C)C,ZSTVZGAJYVCGIP-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:4:174518:224729,COc1nccc(-c2cc(O[Si](C(C)C)(C(C)C)C(C)C)ccc2F)c1C(=O)OC(C)(C)C,YMFQPTHSWNIHQX-UHFFFAOYSA-N
-rxn:4:174522:222606,CC(C)[Si](C#Cc1ccc(-c2cccc(C(F)(F)F)c2C(=O)NC(C)(C)C)cc1)(C(C)C)C(C)C,KVXKOUPLCIMIMD-UHFFFAOYSA-N
-rxn:4:174522:225901,Cc1nn(C(=O)OC(C)(C)C)cc1-c1ccc(C#C[Si](C(C)C)(C(C)C)C(C)C)cc1,VUHIRWDVIBOARD-UHFFFAOYSA-N
-rxn:4:174526:223774,COc1cccc2c1cc(-c1ccc(O[Si](C(C)C)(C(C)C)C(C)C)c(Cl)c1C)n2C(=O)OC(C)(C)C,DQINYUKOBFNDKA-UHFFFAOYSA-N
-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:4:175060:222513,CCOc1c(F)cc(C(=O)OC)cc1-c1cc(S(=O)(=O)NC2CCCCC2)ccc1OC,ZPWODNSAUQKFJJ-UHFFFAOYSA-N
-rxn:4:175510:223559,COC(=O)c1ccc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)cc1CC(C)C,ZSJYJWWQFBDVMP-UHFFFAOYSA-N
-rxn:4:175781:223761,CC(=O)c1cc(-c2ccc(C3CCCN3C(=O)OC(C)(C)C)cc2)cc(-c2cccc(OC(F)(F)F)c2)c1,OAKUJMSOFUAOON-UHFFFAOYSA-N
-rxn:4:175807:223899,COc1cc(C(=O)N(C(C)C)C(C)C)ccc1-c1ccc(CCC(=O)C(C)(C)C)c(F)c1,ILVQONDFMZLCSU-UHFFFAOYSA-N
-rxn:4:176092:224485,CC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2ccc(Cl)cc2CO[Si](C)(C)C(C)(C)C)c1,VVNJIXOYTUPMKW-UHFFFAOYSA-N
-rxn:4:176294:224842,CC(C)(C)C(=O)Oc1ccc2c(c1)OC(=Cc1cccc(-c3ccc4c(c3)C(C)(C)CCC4(C)C)c1)C2=O,PXYAUPNJIGBZBI-UHFFFAOYSA-N
-rxn:4:177211:223559,CCOC(=O)c1cc(F)c(C)c(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)c1,JRSBRDKKKBADTD-UHFFFAOYSA-N
-rxn:4:178025:224008,COc1cc(C2OCCO2)cc(-c2cc(C(=O)N3CCOCC3)cc([N+](=O)[O-])c2)c1OC,DOKWZAOROHMNFS-UHFFFAOYSA-N
-rxn:4:178121:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3c(Cl)cccc3OCC3CCOCC3)c2)CC1,XMFINRAXOLWNAU-UHFFFAOYSA-N
-rxn:4:178384:224145,Cc1cc(OCc2ccccc2)c(F)c(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c1,BTYDGUNXGNJABH-UHFFFAOYSA-N
-rxn:4:178384:225578,CCc1ccc(-n2cc(-c3c(C4CCCCC4)cc(C4CCCCC4)cc3C3CCCCC3)cn2)cc1,ZNKJCLHHSRPVTO-UHFFFAOYSA-N
-rxn:4:178384:225645,Cc1ccn(-c2ccc(-c3c(C4CCCCC4)cc(C4CCCCC4)cc3C3CCCCC3)c(C)c2)n1,NHAUQVBOJKGLON-UHFFFAOYSA-N
-rxn:4:178384:225859,Clc1cc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)cnc1N1CCCCC1,WWTIHQAVVRGEQV-UHFFFAOYSA-N
-rxn:4:178384:227573,CCOc1cc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)cc(F)c1F,NDCIXMJHCUXZMO-UHFFFAOYSA-N
-rxn:4:178384:228208,Clc1ncc(C2CC2)cc1-c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1,WXOGUVGJZAVFIF-UHFFFAOYSA-N
-rxn:4:178384:228436,COc1ccc(F)c(Cl)c1-c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1,ZKZHRRFEPASTFS-UHFFFAOYSA-N
-rxn:4:178384:228792,CSc1ccc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)cc1F,SPECQWAULAHCIN-UHFFFAOYSA-N
-rxn:4:178588:223931,CC(C)(C)OC(=O)n1c(-c2ccc3c(c2)CCC(O[Si](C)(C)C(C)(C)C)C3)cc2ccc(Cl)cc21,FKOSLJACMVXETB-UHFFFAOYSA-N
-rxn:4:178597:225969,Cn1ncc(-c2cccc(F)n2)c1-c1ccc(OC(=O)C2OC3OC(C)(C)OC3C3OC(C)(C)OC23)cc1,ZKJQRFNEDOTWPP-UHFFFAOYSA-N
-rxn:4:178597:226589,CC(C)c1cnc(C(F)F)cc1-c1ccc(OC(=O)C2OC3OC(C)(C)OC3C3OC(C)(C)OC23)cc1,DERVBEGBNLITEA-UHFFFAOYSA-N
-rxn:4:178597:228025,Cn1ncc2c(-c3ccc(OC(=O)C4OC5OC(C)(C)OC5C5OC(C)(C)OC45)cc3)cccc21,CDDOYFZZPFLGJC-UHFFFAOYSA-N
-rxn:4:178597:228866,COCc1noc(C)c1-c1ccc(OC(=O)C2OC3OC(C)(C)OC3C3OC(C)(C)OC23)cc1,GVXNAEUORSYMGL-UHFFFAOYSA-N
-rxn:4:178597:229098,Cc1cc(F)ncc1-c1ccc(OC(=O)C2OC3OC(C)(C)OC3C3OC(C)(C)OC23)cc1,SEKFSQXSEJNHPQ-UHFFFAOYSA-N
-rxn:4:178597:229288,Cc1ccc(-c2ccc(OC(=O)C3OC4OC(C)(C)OC4C4OC(C)(C)OC34)cc2)s1,JZUKEXRGRNNOGR-UHFFFAOYSA-N
-rxn:4:179317:223595,CC(=O)c1ccc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c(F)c2)c(Cl)c1C(F)(F)F,RPCUPMJWTQRSFW-UHFFFAOYSA-N
-rxn:4:179466:223559,COc1cc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)cc(C(C)=O)c1F,IDEIOXRFDAKPTK-UHFFFAOYSA-N
-rxn:4:179724:223694,CCN1CCN(S(=O)(=O)c2cc(-c3c(C)cc(C(=O)C(F)F)cc3C)c(F)cc2C)CC1,AOBNRCKHROJNCD-UHFFFAOYSA-N
-rxn:4:180855:223843,CCN(CC)S(=O)(=O)c1ccc(-c2ccc3c(c2)C2(c4ccccc4-3)c3cc(C(C)(C)C)ccc3-c3ccc(C(C)(C)C)cc32)c(C(F)(F)F)c1,AWXPQBSXMKKNMQ-UHFFFAOYSA-N
-rxn:4:182063:223481,Cc1ccc(-c2cccc(-c3ccc(S(=O)(=O)N4CCC(O[Si](C)(C)C(C)(C)C)CC4)cc3F)c2C)cc1,DZMFCBGUTFLMAA-UHFFFAOYSA-N
-rxn:4:182372:224688,CO[C@H]1CC[C@]2(CC1)Cc1ccc(-c3ccc(CN4CCC(=O)CC4)c(Cl)c3)cc1C2=O,CAKMCGMRUTZLFB-JIBACQESSA-N
-rxn:4:182376:224778,CO[C@H]1[C@H](C)C[C@@]2(Cc3ccc(-c4c(F)cc(OC5CCOCC5)cc4F)cc3C2=O)C[C@@H]1C,XVJORABZVYWPPH-AJYVSHTCSA-N
-rxn:4:182905:223481,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3cc(F)c4c(c3)CCC4)c(F)c2)CC1,DFKOVNRDDSMEEL-UHFFFAOYSA-N
-rxn:4:183273:223316,Cc1n[nH]c2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc12,ORDHMSJCWDABGK-UHFFFAOYSA-N
-rxn:4:183273:228923,CSc1ccnc(F)c1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,KIHRQPZUBGWERQ-UHFFFAOYSA-N
-rxn:4:183273:228968,CSc1ncc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c(Cl)n1,PJHDCDZDBLPYOH-UHFFFAOYSA-N
-rxn:4:183274:223471,c1cc2c(cc1-c1cnn[nH]1)OCCOCCOCCOCCOCCOCCOCCO2,FUPFVLBBSFOCRR-UHFFFAOYSA-N
-rxn:4:183274:226380,Cc1cc(-n2ccnc2)ccc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCOCCO2,QKZWTTSJJXHVMK-UHFFFAOYSA-N
-rxn:4:183274:226444,Cc1nc(C2CCCO2)ccc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCOCCO2,KFVOWGNUCGMXIS-UHFFFAOYSA-N
-rxn:4:183274:228822,Cc1ccc(Cl)c(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCOCCO3)c1F,GXAGNFCHDSFZKR-UHFFFAOYSA-N
-rxn:4:183274:229160,CSc1ncc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCOCCO3)cn1,BJPMSOBIRILESO-UHFFFAOYSA-N
-rxn:4:183762:223977,COC(=O)c1cc(OCCN2CCCC2)cc(-c2cc(C(F)(F)F)ccc2C(=O)OC(C)(C)C)c1,PAEBPWJVNNMDHT-UHFFFAOYSA-N
-rxn:4:183791:223931,CCN(Cc1cc(F)cc(-c2cc3ccc(Cl)cc3n2C(=O)OC(C)(C)C)c1)C(=O)OC(C)(C)C,NCXSJCAUJHWSHQ-UHFFFAOYSA-N
-rxn:4:183808:224992,O=C1CCN(Cc2ccccc2-c2ccc(OC(F)(F)F)cc2OCCN2CCC(F)(F)CC2)CC1,JVEPCHWOHLZIMC-UHFFFAOYSA-N
-rxn:4:183808:228443,CSc1c(F)ccc(-c2ccc(OC(F)(F)F)cc2OCCN2CCC(F)(F)CC2)c1F,FMAKKUBJISAEHN-UHFFFAOYSA-N
-rxn:4:183814:225358,COC(=O)c1cc(-c2cc(N(C(C)=O)S(=O)(=O)c3ccc(Cl)cc3)ccc2OC(C)=O)cc(C(F)(F)F)c1,HSEFQSNJPMNIAI-UHFFFAOYSA-N
-rxn:4:183865:222604,COC(=O)CN1CCCC(COc2ccccc2-c2ccc(OC)c(S(=O)(=O)NC3CCCC3)c2)C1,BMGZWPXXHJOZPE-UHFFFAOYSA-N
-rxn:4:183910:226782,COC(=O)c1cc(OCCN2CCOC(C)C2)cc(-c2cc(F)c(C(=O)OC)cc2F)c1,JQGZGBFOIXJDNY-UHFFFAOYSA-N
-rxn:4:183915:222936,CCC(=O)NS(=O)(=O)c1ccc(-c2cc(OC(F)(F)F)ccc2OCCN2CCC(C)CC2)cc1,BPJNUNGCKMZFMM-UHFFFAOYSA-N
-rxn:4:183915:225159,CC1CCN(CCOc2ccc(OC(F)(F)F)cc2-c2cccc(C(=O)N3CCOCC3)c2)CC1,XWSIVAOIVUPAEP-UHFFFAOYSA-N
-rxn:4:183928:222785,CC(c1ccc(-c2ccc(F)c(NC(=O)OC(C)(C)C)c2)cc1)N(C(=O)OC(C)(C)C)C1CC1,WOBNAZLSHTYEDY-UHFFFAOYSA-N
-rxn:4:183969:223505,CCOC(=O)C1CCN(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)cc3)c(OC)c2)CC1,LSERRQCVWYWNPH-UHFFFAOYSA-N
-rxn:4:183983:222972,Cc1ccc(-c2ccccc2NC(=O)C(C)(C)C)cc1CN(C(=O)OC(C)(C)C)C(C)C,OCPUXCCTNCAQLU-UHFFFAOYSA-N
-rxn:4:183985:223932,CC(C)[Si](Oc1ccc(-c2cc3c(Cl)cccc3n2C(=O)OC(C)(C)C)c(C#N)c1)(C(C)C)C(C)C,VYMYGSMKLNMGQG-UHFFFAOYSA-N
-rxn:4:183995:226308,CCc1cc(-c2cc(C)cc(CN(C(=O)OC(C)(C)C)C3CCC3)c2)ccc1C(=O)OC,WIRDKZBGQMTQSH-UHFFFAOYSA-N
-rxn:4:184001:223669,COC(=O)C1(c2ccc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)nc3)cc2Cl)CCN(C(=O)OC(C)(C)C)C1,SDRGIDIBVIGCDE-UHFFFAOYSA-N
-rxn:4:184001:226421,COC(=O)C1(c2ccc(-c3ccc(Cl)cc3N3CCCC3)cc2Cl)CCN(C(=O)OC(C)(C)C)C1,AFHZGZMDSPGJPK-UHFFFAOYSA-N
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-rxn:4:184012:226139,CCCOc1cc(S(=O)(=O)N(C)C2CCCCC2)ccc1-c1cc(C2CC2)cnc1C1CC1,LBIKVDBABJDOIU-UHFFFAOYSA-N
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-rxn:4:185134:224249,COC(=O)C1CCN(CCc2ccc(-c3cc(C(=O)N4CCCC(C)C4)ccc3F)cc2)CC1,KSAQKNRJGVYVQT-UHFFFAOYSA-N
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-rxn:4:185165:223774,COc1cccc2c1cc(-c1ccc(C(F)(F)F)c(C3CN(C(=O)OC(C)(C)C)C3)c1)n2C(=O)OC(C)(C)C,MEXLQHBHRGRSOZ-UHFFFAOYSA-N
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-rxn:4:185270:228214,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3cnc(C4CC4)cc3F)cc2C(F)(F)F)C1,SSLOAZHEXOQWFZ-UHFFFAOYSA-N
-rxn:4:185292:224431,Cc1cccc(CN(C(C)C)C(C)C)c1-c1ccc(C(=O)N(Cc2ccccc2F)C2CCS(=O)(=O)C2)cc1,XUAQSADEJDZLCZ-UHFFFAOYSA-N
-rxn:4:185303:223141,CCOc1ccc(-c2cncc(C3CCNCC3)c2)cc1S(=O)(=O)N(C)C1CCCCC1,ZVTXEAPHWNVSBB-UHFFFAOYSA-N
-rxn:4:185307:224327,CCCOc1cc(S(=O)(=O)N2CCCC(C)C2)ccc1-c1cccc(S(=O)(=O)N2CCCC(C)C2)c1,FJCHEVWQFIMAKR-UHFFFAOYSA-N
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-rxn:4:185315:225829,CC1CCN(c2ncc(-c3ccc(C4CC4)c(C4CN(C(=O)OC(C)(C)C)C4)c3)cn2)CC1,UFOFGVDCFWUGBG-UHFFFAOYSA-N
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-rxn:4:185351:222829,CNS(=O)(=O)c1ccc(-c2ccccc2C(=O)N2CCC(S(=O)(=O)CC(C)C)CC2)c(C(F)(F)F)c1,UYGIRWLDLDKBFB-UHFFFAOYSA-N
-rxn:4:185353:226058,CC(C)c1cccc(C(C)C)c1-c1ccc(CC(=O)N2CCC(S(=O)(=O)C(C)(C)C)C2)cc1,PCPIELRJUABWAV-UHFFFAOYSA-N
-rxn:4:185358:222945,CC(C)NS(=O)(=O)c1ccc(-c2cccc(C(=O)C3CCN(C(=O)OC(C)(C)C)CC3)c2F)cc1F,WHNQQXDGTPVNMW-UHFFFAOYSA-N
-rxn:4:185371:222635,C[C@H](NC(=O)OC(C)(C)C)c1cccc(-c2ccc(CC3CCN(C(=O)OC(C)(C)C)CC3)cc2)c1,JRMRXRABUTXUKB-NRFANRHFSA-N
-rxn:4:185384:225753,COC(=O)c1cnc(C2CC2)c(-c2ccc(C(F)(F)F)cc2C2CCCN(C(=O)OC(C)(C)C)C2)c1,QEEARDLDEBXENK-UHFFFAOYSA-N
-rxn:4:185385:223504,CC(C)(C)OC(=O)N1CCC(c2ccc(C(F)(F)F)c(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)c([N+](=O)[O-])c3)c2)CC1,IAQQBPMRGKJWKL-UHFFFAOYSA-N
-rxn:4:185402:222828,CCCOc1ccc(-c2cc(F)c(F)cc2S(=O)(=O)NC2CC2)cc1S(=O)(=O)N1CC(C)CC(C)C1,VPMXFMJFRKBQSX-UHFFFAOYSA-N
-rxn:4:185402:223952,CCCOc1ccc(-c2ccc(OCCN3CCN(C)CC3)c(Cl)c2)cc1S(=O)(=O)N1CC(C)CC(C)C1,FYXKMNVEMLSXKV-UHFFFAOYSA-N
-rxn:4:185428:226566,COC(=O)c1ccc(OC)cc1-c1cc(C(C)(C)C)ccc1OCC(=O)N1CCC(C)CC1,BSHMEJUMQVWJFY-UHFFFAOYSA-N
-rxn:4:185438:224752,Cc1cc(S(=O)(=O)N2CCCC2)ccc1-c1ccc(S(=O)(=O)N2CCC(O[Si](C)(C)C(C)(C)C)CC2)cc1,AEAYRADBWOHZGR-UHFFFAOYSA-N
-rxn:4:185492:222638,COC(=O)c1cccc2c1c(-c1cccc(C(C)NC(=O)OC(C)(C)C)c1)cn2C(=O)OC(C)(C)C,VOJJRPASBVAGOW-UHFFFAOYSA-N
-rxn:4:185493:222639,COC(=O)c1ccc2c(-c3ccc([C@H](C)NC(=O)OC(C)(C)C)cc3)cn(C(=O)OC(C)(C)C)c2c1,PLNKCHQPPBFYKN-KRWDZBQOSA-N
-rxn:4:185593:223569,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(F)c(-c3ccccc3C(=O)N(Cc3cccc4ccccc34)C3CCS(=O)(=O)C3)cnc21,GSRALTAGMYJCRB-UHFFFAOYSA-N
-rxn:4:185600:222606,Cc1c(C(=O)N(Cc2ccccc2F)C2CCS(=O)(=O)C2)oc2ccc(-c3cccc(C(F)(F)F)c3C(=O)NC(C)(C)C)cc12,RRXUNBMJBCLSSF-UHFFFAOYSA-N
-rxn:4:185600:224486,Cc1c(C(=O)N(Cc2ccccc2F)C2CCS(=O)(=O)C2)oc2ccc(-c3cccc(C(=O)N(C(C)C)C(C)C)c3)cc12,PGBJURKJFFKNLQ-UHFFFAOYSA-N
-rxn:4:185645:224420,Cc1cc2c(cc1-c1ccc(S(=O)(=O)N(C(=O)C3CCCCC3)c3cc4sc(=O)oc4c4ccccc34)cc1)C(C)(C)CCC2(C)C,WDOPHWIJOZDPQZ-UHFFFAOYSA-N
-rxn:4:185647:227994,CC(C)c1ccc(Cl)c(-c2ccc3c(c2)CC[C@H]2N(C(=O)OC(C)(C)C)CC[C@@]32S(=O)(=O)c2ccc(F)cc2)c1,IKVGXNCRUPQJLU-QLWXXVCSSA-N
-rxn:4:185648:226056,O=C(C1CCCCC1)N(c1ccc2oc3c(c2c1)CCCC3)S(=O)(=O)c1ccc(-c2c3c(cc4c2CCC4)CCC3)cc1,SIVKSVQJNPJGPY-UHFFFAOYSA-N
-rxn:4:185648:227525,CCc1cnc(C(F)F)cc1-c1ccc(S(=O)(=O)N(C(=O)C2CCCCC2)c2ccc3oc4c(c3c2)CCCC4)cc1,QTRZZXILVIXIBE-UHFFFAOYSA-N
-rxn:4:186272:223597,CN(C)C(=O)COc1ccc(-c2ccc(OCCN3CCC4(CC3)OCCO4)c(Cl)c2)cc1F,SLMFNCKBYTUBKU-UHFFFAOYSA-N
-rxn:4:186751:224431,Cc1cccc(CN(C(C)C)C(C)C)c1-c1ccc(N(C(=O)C(F)(F)F)C2C=CS(=O)(=O)C2)cc1,HUSNJYXRJZYDNC-UHFFFAOYSA-N
-rxn:4:186829:223590,CCN(CC)Cc1cc(C)ccc1-c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1C,PNSGHCKELFAPNY-UHFFFAOYSA-N
-rxn:4:186910:224715,CCCCOc1cc(C(F)(F)F)ccc1-c1ccc(C(F)(F)F)cc1/C=N/S(=O)C(C)(C)C,ZHPXHAGWBSDHAV-AMVVHIIESA-N
-rxn:4:186974:222447,COc1ccc2c(c1-c1cc(Cl)ccc1OCC(=O)N1CCCCC1)N=C(NC(=O)OC(C)(C)C)C2,QDZVKAPGNJOKSP-UHFFFAOYSA-N
-rxn:4:187012:222707,CC(C)(C)OC(=O)NCc1nccc(-c2ccc(C(=O)N3CCCCC3)cc2OC(F)(F)F)c1F,GAVYGAWASCEVLX-UHFFFAOYSA-N
-rxn:4:187028:224485,CC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2ccc(C(=O)N3CC(S(=O)(=O)c4ccc(F)cc4)C3)o2)c1,ZOFCDUAWUIHMLR-UHFFFAOYSA-N
-rxn:4:187030:223567,CC(C)Oc1ccc2c(c1)cc(-c1ccc(C(=O)N(C(C)C)C(C)C)cc1)n2C(=O)OC(C)(C)C,MDRUFFIQJDCASL-UHFFFAOYSA-N
-rxn:4:187032:223999,CC1CCN(S(=O)(=O)c2ccc(F)c(-c3ccc(OCCN4CCC(C)C4)cc3)c2)CC1,DDDCUHXDVDEPKT-UHFFFAOYSA-N
-rxn:4:187054:222514,COc1ccc(-c2c(OCC3CCCCC3)cccc2[N+](=O)[O-])cc1S(=O)(=O)NC1CCCCC1,VWIOHAALVBBOBO-UHFFFAOYSA-N
-rxn:4:187068:223894,COC(=O)c1cc(-c2cccc(OCCCN3CCN(C)CC3)c2)ccc1CN1CCOCC1,HOYSYXXJKTYXFM-UHFFFAOYSA-N
-rxn:4:187110:222679,COc1ccc(NC(=O)OC(C)(C)C)cc1-c1ccc(S(=O)(=O)N(C(C)C)C(C)C)cc1,LSFHATDFBYWOHO-UHFFFAOYSA-N
-rxn:4:187146:225332,CCOc1ccc(OC(F)(F)F)cc1-c1ccc(F)cc1CC(=O)N1CCCC(C(F)(F)F)C1,KDDHKPKJXCJUSX-UHFFFAOYSA-N
-rxn:4:187146:225753,COC(=O)c1cnc(C2CC2)c(-c2ccc(F)cc2CC(=O)N2CCCC(C(F)(F)F)C2)c1,VTJXFIVETGKBCA-UHFFFAOYSA-N
-rxn:4:187148:225671,O=C(Cc1ccc(-c2cc(C3CCCCC3)ncc2F)c(F)c1)N1CCCC(C(F)(F)F)C1,VWYPFZXHAICLNO-UHFFFAOYSA-N
-rxn:4:187190:223502,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3cccc(C4CN(C(=O)OC(C)(C)C)C4)c3)cc2F)CC1,UWVTYTTZIVRDRJ-UHFFFAOYSA-N
-rxn:4:187209:225269,COC(=O)c1ccc(-c2ccc(CN3CCC(C(=O)OC)CC3)c(F)c2)c(C(=O)OC)c1,YQSIPPITYCPUJM-UHFFFAOYSA-N
-rxn:4:187231:226048,CCN(C1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(-c2c(F)ccc(F)c2OC(F)(F)F)cc1,KJNINQWMPBONJK-UHFFFAOYSA-N
-rxn:4:187276:222415,NS(=O)(=O)c1cc(-c2cc(C(F)(F)F)cc(S(=O)(=O)N3CCC(C(F)(F)F)CC3)c2)ccc1F,TYPSVEOIPTZJCC-UHFFFAOYSA-N
-rxn:4:187310:224590,CC1CCN(Cc2ccc(-c3cc(Cl)cc(F)c3OCCN3CCCCC3C)c(F)c2)CC1,AOGWDBQCRYSNNW-UHFFFAOYSA-N
-rxn:4:187311:222776,CC1CCCN(CCOc2c(F)cc(Cl)cc2-c2ccc(CN3CCC(O)CC3)cc2F)C1,QAOYTWLAKABJNM-UHFFFAOYSA-N
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-rxn:4:190376:222913,COc1ccc(-c2ccc(CNS(=O)(=O)C3CC3)cc2)cc1S(=O)(=O)N1CCCCCC1,KTRBCWQKKACPLZ-UHFFFAOYSA-N
-rxn:4:190376:222943,COc1ccc(-c2ccc(F)c(S(=O)(=O)NC3CC3)c2)cc1S(=O)(=O)N1CCCCCC1,GISULAJZSPVQTG-UHFFFAOYSA-N
-rxn:4:190379:222622,CCC(C)c1cc(-c2ccc(S(=O)(=O)N3CCCC(C)C3)cc2OC)cc(C2CCCNC2)n1,YWFWAJUGBQUVJV-UHFFFAOYSA-N
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-rxn:4:190426:223882,Cc1cccc2c1cc(-c1ccc(C3CCN(S(=O)(=O)C(C)C)CC3)cc1)n2C(=O)OC(C)(C)C,PIYHKWOFUBUMKP-UHFFFAOYSA-N
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-rxn:4:190828:222647,Cc1cc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)C(=O)C3)c(C)cc1NC(=O)OC(C)(C)C,CCBJIXYJTBKJEY-UHFFFAOYSA-N
-rxn:4:190829:224486,CC(C)N(C(=O)c1cccc(-c2ccc3c(c2)CC(=O)N3C(=O)OC(C)(C)C)c1)C(C)C,QZJYXAIQOFOLHH-UHFFFAOYSA-N
-rxn:4:190833:223823,CC(C)(C)OC(=O)N1CCC(n2cc(-c3ccc(Cl)c4c3C(=O)N(C(=O)OC(C)(C)C)C4)cn2)CC1,AZPKSNIQSVFLMT-UHFFFAOYSA-N
-rxn:4:190856:222635,C[C@H](NC(=O)OC(C)(C)C)c1cccc(-c2cccc3c2N(C(=O)OC(C)(C)C)CC3)c1,HMACVQAPZCFWLD-KRWDZBQOSA-N
-rxn:4:190857:222812,CC(C)(C)OC(=O)Nc1cc(-c2cc3c(s2)CN(C(=O)OC(C)(C)C)CC3)cnc1Cl,POTNSIOESSXPPK-UHFFFAOYSA-N
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-rxn:4:191033:223882,Cc1cccc2c1cc(-c1ccc3c(c1)CN(C(=O)OC(C)(C)C)CCC3)n2C(=O)OC(C)(C)C,VUHFIDPXQINEQF-UHFFFAOYSA-N
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-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:4:191126:225829,CC1CCN(c2ncc(-c3ccc4c(c3)C(=O)CC3(CCN(C(=O)OC(C)(C)C)CC3)O4)cn2)CC1,KLESOSVXEHDNCS-UHFFFAOYSA-N
-rxn:4:191129:223536,CC(C)(C)OC(=O)N1CCN(c2cc(-c3ccc4c(c3)CCC3(CCN(C(=O)OC(C)(C)C)CC3)O4)cc(F)c2F)CC1,OKBVZUPIMSCYJR-UHFFFAOYSA-N
-rxn:4:191129:224847,CC(C)(C)OC(=O)N1CCC2(CCc3cc(-c4cc(C(C)(C)C)ccc4C(C)(C)C)ccc3O2)CC1,CRKDRXOLJOJPEC-UHFFFAOYSA-N
-rxn:4:191641:223577,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3cnc(F)c(C(F)(F)C(F)(F)F)c3)cc2)CC1,YNMYTZQHHHISCW-UHFFFAOYSA-N
-rxn:4:193131:222389,O=C1C=CC(=NS(=O)(=O)c2ccc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)cc2)C=C1,ZHHMKWAYNZRHRC-UHFFFAOYSA-N
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-rxn:4:207091:223078,CCNS(=O)(=O)c1ccc(-c2ccc(N3C(=O)CC(N4CCCCCC4)C3=O)cc2)c(C)c1,ULOONLUJOTUJOS-UHFFFAOYSA-N
-rxn:4:207091:223183,CNS(=O)(=O)c1ccc(-c2ccc(N3C(=O)CC(N4CCCCCC4)C3=O)cc2)c(C)c1,PJFGHWVLZZYOMM-UHFFFAOYSA-N
-rxn:4:207091:223190,CNS(=O)(=O)c1ccc(F)cc1-c1ccc(N2C(=O)CC(N3CCCCCC3)C2=O)cc1,PURWOASVLKXKPQ-UHFFFAOYSA-N
-rxn:4:207091:223191,CNS(=O)(=O)c1ccc(-c2ccc(N3C(=O)CC(N4CCCCCC4)C3=O)cc2)cc1F,VEFOIMXPLUTWHX-UHFFFAOYSA-N
-rxn:4:207091:223192,CNS(=O)(=O)c1cc(-c2ccc(N3C(=O)CC(N4CCCCCC4)C3=O)cc2)ccc1F,VOMHIPXOPBPRSR-UHFFFAOYSA-N
-rxn:4:207759:227724,CC(=O)N=C1SC2CS(=O)(=O)CC2N1c1ccc(-c2cc(OC(F)F)ccc2F)cc1Cl,MMBNXTSRMRPIPW-UHFFFAOYSA-N
-rxn:4:207959:225209,Cc1ccc(C2=NN3C(C2)c2cc(-c4cnc(N5CCCCC5C)nc4C)ccc2OC3C2CCCCC2)cc1,SFPCBZZMZUZAAK-UHFFFAOYSA-N
-rxn:4:211089:224552,N#CC1=C2CCCCCN2c2cc(-c3cc(F)cc(COC4CCCCC4)c3)ccc2S1(=O)=O,YEIONUZKBKQPKM-UHFFFAOYSA-N
-rxn:4:211101:226177,Cc1ccc(C2=NN3C(C2)c2cc(-c4ccnc(C5CCCCC5)c4)ccc2OC32CCC(C)CC2)cc1,FOUJXTVRJOWVDM-UHFFFAOYSA-N
-rxn:4:212529:225090,CCOCc1cc(OC)c(-c2cnc(OC3CCN(C(=O)CCC(F)(F)F)CC3)nc2)c(OC)c1,NINSLZFOXBVMTK-UHFFFAOYSA-N
-rxn:4:212542:225758,CCOCC(=O)N1CCCC(Oc2ncc(-c3ccncc3C(=O)OC(C)(C)C)cn2)C1,VMJSMVFMGQNVHV-UHFFFAOYSA-N
-rxn:4:212630:225327,CCCOc1ncc(C(F)(F)F)cc1-c1cncc(C(=O)N2CCCC(COc3ncccc3C(F)(F)F)C2)c1,KVJAHAHYXJHPLX-UHFFFAOYSA-N
-rxn:4:212639:223499,CC(C)(C)OC(=O)N1CCN(C(=O)Cc2cncc(-c3ccc(Cl)c(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c3)c2)CC1,VPAKCAGXKCGWNV-UHFFFAOYSA-N
-rxn:4:212653:224278,COC(=O)c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)c(-c2cnc3c(ccn3C(=O)OC(C)(C)C)c2)n1,MNDJHYQZUFQKIC-UHFFFAOYSA-N
-rxn:4:212658:223790,COC(=O)c1ncc(-c2cncc(C3CCCN3C(=O)OC(C)(C)C)c2)cc1N1CCN(C(=O)OC(C)(C)C)CC1,BWRVPPZVIFWCHH-UHFFFAOYSA-N
-rxn:4:212685:222721,COC(=O)c1ccc(N2CCN(S(=O)(=O)c3ccc(-c4cc(C5CCNCC5)nc(C(F)(F)F)c4)cc3)CC2)c([N+](=O)[O-])c1,FIZZKXGHKWTSSY-UHFFFAOYSA-N
-rxn:4:212685:224323,COC(=O)c1ccc(N2CCN(S(=O)(=O)c3ccc(-c4cc(C)c(S(=O)(=O)N5CCCC5)c(C)c4)cc3)CC2)c([N+](=O)[O-])c1,KPOYTVCMSYKHQQ-UHFFFAOYSA-N
-rxn:4:212691:223175,CCS(=O)(=O)Nc1cccc(-c2ccc(C(=O)N(C)C3CCN(C(=O)OC(C)(C)C)CC3)cn2)c1,ZZHKHFZNTSBARH-UHFFFAOYSA-N
-rxn:4:212729:222729,CCCc1cc(-c2ccc(S(=O)(=O)N3CCCC(c4nc(-c5ccc(OC)c(OC)c5)no4)C3)cc2)cc(C2CCCNC2)n1,JLMHTLYAPCVHRW-UHFFFAOYSA-N
-rxn:4:212730:223529,COc1ccc(-c2noc(C3CCCN(S(=O)(=O)c4ccc(-c5ccc(CN6CCN(C(=O)OC(C)(C)C)CC6)c(F)c5)cc4)C3)n2)c(OC)c1,ICFUSSIAKMXEMG-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:4:212771:223003,CN(C)CCN(C(=O)C1=COCCO1)c1nc2ccc(-c3ccc(Cl)c(C4CCNCC4)c3)cc2s1,PYQPTHBPDIUENR-UHFFFAOYSA-N
-rxn:4:212771:225215,CC1CCN(c2nccc(-c3ccc4nc(N(CCN(C)C)C(=O)C5=COCCO5)sc4c3)c2Cl)CC1,ZCILGOPRKJZTAY-UHFFFAOYSA-N
-rxn:4:212771:225947,CN(C)CCN(C(=O)C1=COCCO1)c1nc2ccc(-c3cnc(N4CCN(C)CC4)nc3)cc2s1,AIIWEIVNAYHQJB-UHFFFAOYSA-N
-rxn:4:212771:225976,CN(C)CCN(C(=O)C1=COCCO1)c1nc2ccc(-c3ccnc(N4CCOCC4)c3F)cc2s1,UKBVANWANUTYRW-UHFFFAOYSA-N
-rxn:4:212878:223583,COC(=O)c1ccc2c(-c3ccc(-n4nnc(C(=O)OC)c4C(=O)OC)c(F)c3)cn(C(=O)OC(C)(C)C)c2c1,ITGAHJWNZRXUAT-UHFFFAOYSA-N
-rxn:4:212905:224162,CC(C)(C)OC(=O)N1CC(Oc2nccc(-c3ccc4c(c3)N(C(=O)OC(C)(C)C)CC4)n2)C1,NCESRADEQVQKTI-UHFFFAOYSA-N
-rxn:4:212966:223683,CC(C)(C)OC(=O)N1CCC(Oc2ncc(-c3cnc(OC4CCN(C(=O)OC(C)(C)C)C4)nc3)cn2)C1,QGEZBLIZNWNQDS-UHFFFAOYSA-N
-rxn:4:212966:223774,COc1cccc2c1cc(-c1cnc(OC3CCN(C(=O)OC(C)(C)C)C3)nc1)n2C(=O)OC(C)(C)C,FUSOGBVQZMRXCS-UHFFFAOYSA-N
-rxn:4:212967:222634,O=C(C1CC1)N1CCC(COc2ncc(-c3ccc(OCCNC4CCCC4)c(F)c3)cn2)CC1,CYNDNGOPMASTLX-UHFFFAOYSA-N
-rxn:4:212991:222404,O=C1NC(=O)C(c2ccc(-c3cnc(OCC4CCN(S(=O)(=O)C5CC5)CC4)nc3)cc2)N1,NRBZBSRKXVEZGB-UHFFFAOYSA-N
-rxn:4:212991:222405,O=C1NC(=O)C(c2cccc(-c3cnc(OCC4CCN(S(=O)(=O)C5CC5)CC4)nc3)c2)N1,ZJCWPEPFFLRGDE-UHFFFAOYSA-N
-rxn:4:212991:223115,CC(=O)NCCc1ccc(-c2cnc(OCC3CCN(S(=O)(=O)C4CC4)CC3)nc2)cc1,FZWXJQJXOAXHGS-UHFFFAOYSA-N
-rxn:4:212991:223161,CNC(=O)c1ccc(-c2cnc(OCC3CCN(S(=O)(=O)C4CC4)CC3)nc2)c(OC)c1,HEJGPXOAJNTUHV-UHFFFAOYSA-N
-rxn:4:212991:223187,CONS(=O)(=O)c1cccc(-c2cnc(OCC3CCN(S(=O)(=O)C4CC4)CC3)nc2)c1,DNMFBEKCMYPAIW-UHFFFAOYSA-N
-rxn:4:212992:222404,O=C1NC(=O)C(c2ccc(-c3cnc(OCC4CCCN(S(=O)(=O)C5CC5)C4)nc3)cc2)N1,YLGRWIAGFWXEPK-UHFFFAOYSA-N
-rxn:4:212992:222405,O=C1NC(=O)C(c2cccc(-c3cnc(OCC4CCCN(S(=O)(=O)C5CC5)C4)nc3)c2)N1,NCOLWXDCPCKJPZ-UHFFFAOYSA-N
-rxn:4:212992:223074,O=S(=O)(Nc1cccc(-c2cnc(OCC3CCCN(S(=O)(=O)C4CC4)C3)nc2)c1)C1CC1,YIFWHRCYNXDYMZ-UHFFFAOYSA-N
-rxn:4:212992:223075,O=S(=O)(Nc1ccc(-c2cnc(OCC3CCCN(S(=O)(=O)C4CC4)C3)nc2)cc1)C1CC1,AEHWWUOBAKRIGH-UHFFFAOYSA-N
-rxn:4:212992:223077,O=S(=O)(NC1CC1)c1ccc(-c2cnc(OCC3CCCN(S(=O)(=O)C4CC4)C3)nc2)cc1,XURFZCPOUNHDJE-UHFFFAOYSA-N
-rxn:4:212992:223121,O=C(NC1CC1)c1ccc(-c2cnc(OCC3CCCN(S(=O)(=O)C4CC4)C3)nc2)cc1,ZHHKTYXJPZHCBE-UHFFFAOYSA-N
-rxn:4:212992:223176,CS(=O)(=O)NCc1cccc(-c2cnc(OCC3CCCN(S(=O)(=O)C4CC4)C3)nc2)c1,KZIGMJZBSSFNSI-UHFFFAOYSA-N
-rxn:4:212992:223177,CS(=O)(=O)NCc1ccc(-c2cnc(OCC3CCCN(S(=O)(=O)C4CC4)C3)nc2)cc1,RUERFSHLSVPQDJ-UHFFFAOYSA-N
-rxn:4:212992:223180,CONC(=O)c1ccc(-c2cnc(OCC3CCCN(S(=O)(=O)C4CC4)C3)nc2)cc1F,GCEYPEGHGLIDJO-UHFFFAOYSA-N
-rxn:4:213041:225287,CC(C)(C)OC(=O)c1cnc(Cl)cc1-c1cnc(OC2CCN(C(=O)OC(C)(C)C)CC2)cn1,DVMRLMFHSMXTFD-UHFFFAOYSA-N
-rxn:4:213044:222790,CC(C)(C)OC(=O)Nc1cc(Cl)cc(-c2cnc(OC3CCN(C(=O)OC(C)(C)C)CC3)nc2)c1,DEVCAPCXBRNDTR-UHFFFAOYSA-N
-rxn:4:213047:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3ccnc(N4CCN(C(=O)OCc5ccccc5)CC4)c3)ccn2)CC1,TWFLEYRCFLQUSJ-UHFFFAOYSA-N
-rxn:4:213048:224760,COc1ccc(S(=O)(=O)N2CC(Cn3cc(-c4ccc(S(=O)(=O)N5CCCCC5)cc4)cn3)C2)cc1C,VXQOJDWMOZDAFW-UHFFFAOYSA-N
-rxn:4:213062:225348,COC(=O)c1ccc(C(F)(F)F)cc1-c1cnc(OC2CCN(C(=O)Cc3ccc(F)cc3F)CC2)nc1,KPBZLNRLTZLANE-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:4:213076:222685,Cc1cc(F)c(NC(=O)OC(C)(C)C)cc1-c1cnn(-c2ccc(S(=O)(=O)N(C(C)C)C(C)C)cc2)c1,DDHOQGNOVGMMMI-UHFFFAOYSA-N
-rxn:4:213076:223653,COc1cc2cc(-c3cnn(-c4ccc(S(=O)(=O)N(C(C)C)C(C)C)cc4)c3)n(C(=O)OC(C)(C)C)c2cc1Cl,FYLOBHSHBPYSHW-UHFFFAOYSA-N
-rxn:4:213076:223904,CC(C)N(C(C)C)S(=O)(=O)c1ccc(-n2cc(-c3cccc(C4CN(C(=O)OC(C)(C)C)C4)c3)cn2)cc1,VPFNQMLTBKOPKK-UHFFFAOYSA-N
-rxn:4:213095:223659,CC(C)(C)OC(=O)N1CCC(Cn2cc(-c3cc(C#N)ccc3N3CCN(C(=O)OC(C)(C)C)CC3)cn2)CC1,PYNWZRPMGAQIDY-UHFFFAOYSA-N
-rxn:4:213096:222947,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cnc(N4CCCC(O)C4)nc3Cl)ccc2C#N)CC1,ZOQMQNSOBDYYQY-UHFFFAOYSA-N
-rxn:4:213097:223059,CC(C)(C)OC(=O)N1CCC(C#N)(c2ccc(-c3ccc(N4CCNCC4)cc3Cl)cn2)CC1,QFGFEUNXOBIRQZ-UHFFFAOYSA-N
-rxn:4:213112:222729,CCCc1cc(-c2ccccc2S(=O)(=O)N2CCC(COc3ccc(C)nn3)C2)cc(C2CCCNC2)n1,CUZDVJZWJUDVSH-UHFFFAOYSA-N
-rxn:4:213123:223777,CC(C)(C)OC(=O)N1CCc2c(ccc(-c3ccccc3CC(=O)N3CCN(c4ccnc(C(F)(F)F)c4)C(=O)C3)c2F)C1,RPILDBRGDDWCCG-UHFFFAOYSA-N
-rxn:4:213123:224197,CCN1CCN(Cc2ccc(-c3ccccc3CC(=O)N3CCN(c4ccnc(C(F)(F)F)c4)C(=O)C3)cc2F)CC1,AXNLKTZOSRQOIS-UHFFFAOYSA-N
-rxn:4:213123:224603,O=C(Cc1ccccc1-c1cccc2c1cnn2C1CCCCO1)N1CCN(c2ccnc(C(F)(F)F)c2)C(=O)C1,LPZFXLAGIUCHHR-UHFFFAOYSA-N
-rxn:4:213126:223592,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)cc3Cl)nc2)CC1,BOBVLAUTHYRNBH-UHFFFAOYSA-N
-rxn:4:213127:223646,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3ccc(OC4CCN(C(=O)OC(C)(C)C)C4)cc3)ccn2)CC1,ZORSYWCFAWERCQ-UHFFFAOYSA-N
-rxn:4:213130:225674,CC(C)(C)OC(=O)N1CCN(Cc2cncc(-c3cnc(C4CCCCC4)cc3F)c2)CC1,FNJLVXNYVRHZHH-UHFFFAOYSA-N
-rxn:4:213131:224196,CCN1CCN(Cc2cc(F)cc(-c3cnc(OCC4CCN(C(=O)C(C)(C)C)CC4)nc3)c2)CC1,WVYRNJSZELPYSW-UHFFFAOYSA-N
-rxn:4:213134:224718,CCC(C)(C)C(=O)N1CCC(Oc2ncc(-c3ccc(OCCN4CCOCC4)nc3)cn2)CC1,SXVJFXPKJOLQME-UHFFFAOYSA-N
-rxn:4:213134:225542,CCCCCc1ccc(-c2cnc(OC3CCN(C(=O)C(C)(C)CC)CC3)nc2)c(F)c1F,UUNWRCIBEIOHPK-UHFFFAOYSA-N
-rxn:4:213150:223933,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(-c3cc4cc(F)ccc4n3C(=O)OC(C)(C)C)cn2)CC1,GGZYIWFKESKDAZ-UHFFFAOYSA-N
-rxn:4:213150:226538,CCOC(=O)c1cc(Cl)ccc1-c1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)nc1,MSWNUQARIPSLIC-UHFFFAOYSA-N
-rxn:4:213162:225574,COC(=O)c1cc(C2CC2)ccc1-c1cnc(OC2CCN(S(=O)(=O)c3ccc(OC)c(F)c3)CC2)nc1,QQLQCNQRDSQWES-UHFFFAOYSA-N
-rxn:4:213176:223812,Cc1cccnc1OCC1CCN(C(=O)c2cncc(-c3cc(F)cc(CN4CCC5(CC4)OCCO5)c3)c2)CC1,QRQILGUHDUZEEA-UHFFFAOYSA-N
-rxn:4:213177:222770,Cc1cccc(OCC2CCCN(C(=O)c3cncc(-c4ccc(C(=O)NC5CCCC5)c(Cl)c4)c3)C2)n1,DYLYKGAFJQWXGE-UHFFFAOYSA-N
-rxn:4:213195:223812,O=C(C1CCOCC1)N1CCC(COc2ncc(-c3cc(F)cc(CN4CCC5(CC4)OCCO5)c3)cn2)CC1,VZBLGTRWMUZVFH-UHFFFAOYSA-N
-rxn:4:213213:223880,Cc1ccc2c(c1)cc(-c1cccc(N(C)C3CCN(C(=O)OC(C)(C)C)CC3)n1)n2C(=O)OC(C)(C)C,IYZVMZUMHPPEBS-UHFFFAOYSA-N
-rxn:4:213218:223774,COc1cccc2c1cc(-c1ccc(CN3CCN(C(=O)OC(C)(C)C)[C@@H](C)C3)nc1)n2C(=O)OC(C)(C)C,NPQNKTCSQLFIJR-FQEVSTJZSA-N
-rxn:4:213222:222948,CC(C)(C)c1csc(CN2CCN(C(=O)c3ccc(-c4cnc(N5CCC(O)CC5)nc4Cl)o3)CC2)n1,JOICXPZNLPMYCN-UHFFFAOYSA-N
-rxn:4:213236:222631,COc1ccc(S(=O)(=O)N2CCCC(Oc3ncc(-c4cc(C5CCNCC5)nc(C(C)(C)C)c4)cn3)C2)cc1C,AETZZUAJBSOVLG-UHFFFAOYSA-N
-rxn:4:213273:223835,Cc1cc(F)c(-c2cnccc2OC2CCN(C(=O)c3ccc(N4CCOCC4)cc3)C2)cc1S(=O)(=O)N1CCC(C)CC1,NIBRSGPISAONBV-UHFFFAOYSA-N
-rxn:4:213359:225318,O=C(CSc1nc2c(c(=O)n1-c1ccc(-c3c(F)cc(N4CCOCC4)cc3F)cc1)SCC2)N1CCCC1,QBVURYBWCYHNGK-UHFFFAOYSA-N
-rxn:4:213363:223886,COc1ccc2sc(OC3CCN(C(=O)c4cncc(-c5cccc6c5CCN(C(=O)OC(C)(C)C)C6)c4)CC3)nc2c1,RBKNFUMSXXIWNB-UHFFFAOYSA-N
-rxn:4:213642:223574,CC(C)(C)OC(=O)c1cn(-c2ccc(Cl)cc2-c2cccc(CN3CCN(C(=O)OC(C)(C)C)CC3)c2)nn1,WYQBAOWQNYMSKC-UHFFFAOYSA-N
-rxn:4:213659:222723,CCOC(=O)C1CCCN(c2ncc(-c3cccc(NS(=O)(=O)N4CCOCC4)c3)cn2)C1,AECXJBVASZLENX-UHFFFAOYSA-N
-rxn:4:213660:223940,CCOC(=O)N1CCN(c2ccc(-c3ccc4c(c3)OCCN4C(=O)OC(C)(C)C)cn2)CC1,GQFSPFRXTYDYTH-UHFFFAOYSA-N
-rxn:4:213713:222946,CC(C)(C)OC(=O)N1CCC[C@H]1c1ncc(-c2cnc(N3CCCCC3O)nc2Cl)[nH]1,OAFTVUTWSUXWRH-VYRBHSGPSA-N
-rxn:4:213713:223528,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3cnc([C@@H]4CCCN4C(=O)OC(C)(C)C)[nH]3)ccc2F)CC1,NQKDCKMBFKVDJE-QHCPKHFHSA-N
-rxn:4:213721:223506,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cccc(-c3ccn(C4CCN(C(=O)OC(C)(C)C)C4)n3)c2)CC1,ZGWDCAGWLNKVAT-UHFFFAOYSA-N
-rxn:4:213755:223823,CC(C)(C)OC(=O)N1CCC(n2cc(-c3csc(N4CCN(C(=O)OC(C)(C)C)CC4)n3)cn2)CC1,XVAGDLMCHFBSKJ-UHFFFAOYSA-N
-rxn:4:213758:222723,CS(=O)(=O)N1CCCCC1CCc1cnc(-c2cccc(NS(=O)(=O)N3CCOCC3)c2)cn1,VKFPISCGZGRUBN-UHFFFAOYSA-N
-rxn:4:213759:222792,CC(C)(C)OC(=O)Nc1ccc(F)c(-c2cnc(C3CCCN3C(=O)OC(C)(C)C)cn2)c1,IJXPBCCKFWRWBZ-UHFFFAOYSA-N
-rxn:4:213759:223498,CC(C)(C)OC(=O)N1CCCN(C(=O)c2ccc(-c3cnc(C4CCCN4C(=O)OC(C)(C)C)cn3)cc2)CC1,YFEWZVGQGKSAJB-UHFFFAOYSA-N
-rxn:4:213766:222947,CC(C)(C)OC(=O)N1CCN(c2nc(-c3cnc(N4CCCC(O)C4)nc3Cl)co2)CC1,POUDVWTWPORQDE-UHFFFAOYSA-N
-rxn:4:213766:223590,Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1-c1coc(N2CCN(C(=O)OC(C)(C)C)CC2)n1,ZOTKCGIRYFFEMH-UHFFFAOYSA-N
-rxn:4:213768:222935,CN(C)S(=O)(=O)NCc1ccc(-c2cnc(OCC3CCCN(C4COC4)C3)nc2)cc1,ZTKXSRRJPWRBOC-UHFFFAOYSA-N
-rxn:4:213799:223059,CC(C)(C)OC(=O)N1CCOC(c2cc(-c3ccc(N4CCNCC4)cc3Cl)ncn2)C1,FKCHBJZTDRXRQD-UHFFFAOYSA-N
-rxn:4:213801:222634,CC(C)(C)OC(=O)N1CCOC(c2cncc(-c3ccc(OCCNC4CCCC4)c(F)c3)n2)C1,VKTXOKBZXKSRKJ-UHFFFAOYSA-N
-rxn:4:213801:225829,CC1CCN(c2ncc(-c3cncc(C4CN(C(=O)OC(C)(C)C)CCO4)n3)cn2)CC1,KMCSDFNZIFMDHY-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:4:213843:224653,CC(C)(C)OC(=O)N1CCN(c2cc(-c3ccc(Cl)cc3OCC3CCCCO3)ccn2)C(=O)C1,UHOUVXJVXYWJGO-UHFFFAOYSA-N
-rxn:4:213843:226848,COc1ccc(-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3=O)c2)c(C(F)(F)F)n1,YVVQDNBOFXQQHT-UHFFFAOYSA-N
-rxn:4:213859:223505,Cc1nn(C(=O)N(c2ccccc2)c2ccccc2)c(C)c1-c1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1,AZJMJXOSDBTDOE-UHFFFAOYSA-N
-rxn:4:213871:224648,CC(C)(C)[Si](C)(C)Oc1ccc(-c2cnc(OC3CCCN(S(=O)(=O)c4ccc(F)c(F)c4)C3)nc2)c(Cl)c1,ZYTMARRIEFDVFF-UHFFFAOYSA-N
-rxn:4:213874:225982,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cnc(N4CCOCC4)cc3F)ccn2)CC1,IHMGLQTVWBKOIE-UHFFFAOYSA-N
-rxn:4:213884:224649,CC(C)(C)OC(=O)N1CCC(c2ccnc(-c3cc(F)ccc3OCC3CCCCO3)n2)CC1,DULITJKZBDMYDQ-UHFFFAOYSA-N
-rxn:4:213910:223176,CS(=O)(=O)NCc1cccc(-c2cccnc2OC2CCN(S(=O)(=O)N3CCOCC3)C2)c1,ZCHJIUGUUMSYNP-UHFFFAOYSA-N
-rxn:4:213910:223177,CS(=O)(=O)NCc1ccc(-c2cccnc2OC2CCN(S(=O)(=O)N3CCOCC3)C2)cc1,RSONRPJUXZHPTQ-UHFFFAOYSA-N
-rxn:4:213910:223181,CCNS(=O)(=O)c1cccc(-c2cccnc2OC2CCN(S(=O)(=O)N3CCOCC3)C2)c1,BYNOAFRVVMSXHP-UHFFFAOYSA-N
-rxn:4:213910:223182,CCNS(=O)(=O)c1ccc(-c2cccnc2OC2CCN(S(=O)(=O)N3CCOCC3)C2)cc1,RZASSDXGJCCGCZ-UHFFFAOYSA-N
-rxn:4:213910:223187,CONS(=O)(=O)c1cccc(-c2cccnc2OC2CCN(S(=O)(=O)N3CCOCC3)C2)c1,IAYYVTHRPYZRTR-UHFFFAOYSA-N
-rxn:4:213910:223191,CNS(=O)(=O)c1ccc(-c2cccnc2OC2CCN(S(=O)(=O)N3CCOCC3)C2)cc1F,XWBXPWSYYJGCKD-UHFFFAOYSA-N
-rxn:4:213910:223192,CNS(=O)(=O)c1cc(-c2cccnc2OC2CCN(S(=O)(=O)N3CCOCC3)C2)ccc1F,ZUVRFNORZDETAL-UHFFFAOYSA-N
-rxn:4:213910:223284,CS(=O)(=O)Nc1ccc(-c2cccnc2OC2CCN(S(=O)(=O)N3CCOCC3)C2)cc1,OETFNXZRZXCPQV-UHFFFAOYSA-N
-rxn:4:213910:223285,CS(=O)(=O)Nc1ccccc1-c1cccnc1OC1CCN(S(=O)(=O)N2CCOCC2)C1,YIQFCXWAOSEINL-UHFFFAOYSA-N
-rxn:4:213910:223286,CS(=O)(=O)Nc1cccc(-c2cccnc2OC2CCN(S(=O)(=O)N3CCOCC3)C2)c1,ZEZJVXZSIWTXMP-UHFFFAOYSA-N
-rxn:4:213910:223288,CNS(=O)(=O)c1cccc(-c2cccnc2OC2CCN(S(=O)(=O)N3CCOCC3)C2)c1,IHDNXXJWXMSGRW-UHFFFAOYSA-N
-rxn:4:213910:223295,CS(=O)(=O)Nc1cncc(-c2cccnc2OC2CCN(S(=O)(=O)N3CCOCC3)C2)c1,ABYVGSNNFNOOBS-UHFFFAOYSA-N
-rxn:4:213910:223387,CCOC(=O)c1cc(-c2cccnc2OC2CCN(S(=O)(=O)N3CCOCC3)C2)[nH]n1,RSDBBFMJNYSPCH-UHFFFAOYSA-N
-rxn:4:213910:227477,CCOC(=O)c1cc(-c2cccnc2OC2CCN(S(=O)(=O)N3CCOCC3)C2)ccn1,AGCZZGQVZQMJBI-UHFFFAOYSA-N
-rxn:4:213928:224397,Cc1nccc(OC2CCCN(C(=O)c3ccccc3-c3ccc(S(=O)(=O)N4CCC(=O)CC4)cc3)C2)n1,MECRNDZXTXIXOQ-UHFFFAOYSA-N
-rxn:4:213931:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cc(C(F)(F)F)cnc3N3CCOC(C(=O)N4CCCC4)C3)c2Cl)CC1,DRMYJQRXAKGRKL-UHFFFAOYSA-N
-rxn:4:213942:223591,Cc1nn(C2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1F,YGUMIZKAKMTMGZ-UHFFFAOYSA-N
-rxn:4:213950:223077,O=S(=O)(NC1CC1)c1ccc(-c2cnc(OC3CCN(S(=O)(=O)C4CCCCC4)C3)nc2)cc1,BESUBECGQILHPD-UHFFFAOYSA-N
-rxn:4:213954:223289,CNS(=O)(=O)c1ccccc1-c1cnccc1OC1CCN(C2CCN(C3CC3)C2=O)C1,WIFRVJVJFOZXJI-UHFFFAOYSA-N
-rxn:4:213970:223480,Cc1ccc(S(=O)(=O)N2CCC(Oc3ncc(-c4cc(C)c(S(=O)(=O)N5CCN(C(=O)OC(C)(C)C)CC5)c(C)c4)cn3)CC2)cc1,HLRHHKRJIVWUCO-UHFFFAOYSA-N
-rxn:4:213986:225984,Cc1cc(-c2cnc(Cl)c(N3CCOCC3)c2)cnc1N1CCN(C(=O)OC(C)(C)C)CC1,HUXVRJZJKCRCGY-UHFFFAOYSA-N
-rxn:4:214008:223812,CC(C)c1sc(-c2cc(F)cc(CN3CCC4(CC3)OCCO4)c2)nc1C(=O)N1CCN(c2ccc(F)cc2)CC1,UGYXAZOMUBDYTJ-UHFFFAOYSA-N
-rxn:4:214012:224323,Cc1cc(-c2ccccc2S(=O)(=O)N2CCC(S(=O)(=O)c3nccn3C)CC2)cc(C)c1S(=O)(=O)N1CCCC1,DZWAEBFVJHNBNW-UHFFFAOYSA-N
-rxn:4:214018:223787,CC(=O)N1N=C(c2ccc(-c3ccc(OCCCN4CCN(C)CC4)c(F)c3)cc2)CC1c1ccc(N(C)C)cc1,VIMVQXDXLUPVRP-UHFFFAOYSA-N
-rxn:4:214021:222722,Cc1cc(C)nc(OC2CCCN(C(=O)c3ccccc3-c3cccc(S(=O)(=O)N4CCC(O)CC4)c3)C2)n1,WAUXEKQUUXVYCH-UHFFFAOYSA-N
-rxn:4:214074:224155,Cc1nn(S(=O)(=O)c2ccc(-c3cc(C4CC4)cc(N4CCN(C)CC4)c3)cc2)c(C)c1S(=O)(=O)N1CCCC(C)C1,UUJWEYBXTKUOFR-UHFFFAOYSA-N
-rxn:4:214079:226382,CC(C)N1CCN(Cc2ccc(-c3cnc(C4CCCCC4)nc3)cc2N2CCCC2)CC1,SRGOZHVNPHMKAX-UHFFFAOYSA-N
-rxn:4:214183:223748,CC(C)(C)OC(=O)N1CC(c2ncn3cc(-c4cc(N5CCCCC5)cc(N5CCCCC5)c4)ccc23)C1,KFYXVRMCJJAIRS-UHFFFAOYSA-N
-rxn:4:214202:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2cnc([C@@H]3[C@H]4CC[C@H](C4)N3C(=O)OC(C)(C)C)nc2)cc1,MBBFISMUXKWQSO-DSKINZAPSA-N
-rxn:4:214202:223592,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc([C@@H]4[C@H]5CC[C@H](C5)N4C(=O)OC(C)(C)C)nc3)c(Cl)c2)CC1,BUAXWZXZSXYYKC-SWHJIRTISA-N
-rxn:4:214202:225876,CC(C)(C)OC(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1c1ncc(-c2cc(Cl)ccc2N2CCOCC2)cn1,WRYBFOMFYIEBHU-NBCNXNJRSA-N
-rxn:4:214223:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3ccc(C(=O)N4CCC(Cn5cnc6ccccc65)CC4)o3)ccn2)CC1,YHYRGEPOPNDFLR-UHFFFAOYSA-N
-rxn:4:214326:223929,CC(C)(C)OC(=O)N1CCc2cc(-c3cccc(CN4CCC(Cn5cnc6ccccc6c5=O)CC4)c3)cnc2C1,XSFUZVGHFORROC-UHFFFAOYSA-N
-rxn:4:214633:222723,CC(=O)N1CCC(Oc2ncc(-c3cccc(NS(=O)(=O)N4CCOCC4)c3)cn2)CC1,MJHCMTAAUHQPJK-UHFFFAOYSA-N
-rxn:4:214698:223787,CCCc1nc(N2CCN(C)CC2)sc1-c1ccc(OCCCN2CCN(C)CC2)c(F)c1,VCALWIRQEWDTNG-UHFFFAOYSA-N
-rxn:4:214708:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3cnc(OC4CCN(C5COC5)CC4)nc3)cc2)CC1,SYJALNITLBJQCE-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:4:214765:223822,CN(C)C1CCN(c2cccc(-c3cc(C(F)(F)F)ccc3C(=O)OCC(C)(C)C)c2[N+](=O)[O-])CC1,OFZOMRJBZCJRPI-UHFFFAOYSA-N
-rxn:4:214765:225272,CCOC(=O)C(F)(F)c1ccc(-c2cccc(N3CCC(N(C)C)CC3)c2[N+](=O)[O-])cc1,PJOJXMWJMAEFOY-UHFFFAOYSA-N
-rxn:4:214803:224672,CCN1CCN(c2ccc(-c3ccc(N4CCOC(C(=O)N5CCCC5)C4)nc3)c(Cl)c2)CC1,GIHAZWGNGBNKOB-UHFFFAOYSA-N
-rxn:4:214819:226094,CC(C)CCOc1ccc(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCCC3)C2)cc1,MSXCEWPZLXVDQC-UHFFFAOYSA-N
-rxn:4:214835:225087,CN(C)CCCOc1ccc(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCOCC3)C2)cc1F,QZZJQVHMIVXRAM-UHFFFAOYSA-N
-rxn:4:214835:226004,COc1cc(OC(F)(F)F)cc(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCOCC3)C2)c1,DWBMQZBXVAOSTO-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:4:214839:227212,CCCCOc1ncccc1-c1cnc(N2CCOC(C(=O)N3CCSCC3)C2)c(F)c1,WRZATAKARCCBHG-UHFFFAOYSA-N
-rxn:4:214862:224196,CCN1CCN(Cc2cc(F)cc(-c3cncc(C(=O)N4CCCN(C5CCSC5)CC4)c3)c2)CC1,OOAVUBYCPDECIX-UHFFFAOYSA-N
-rxn:4:214870:225165,COc1cc(-c2cc(Cl)cnc2N2CCCC(C(=O)N3CCOCC3)C2)ccc1N1CCOCC1,IDJBZQNPMKGQDS-UHFFFAOYSA-N
-rxn:4:214870:226981,CCCCCCc1ccsc1-c1cc(Cl)cnc1N1CCCC(C(=O)N2CCOCC2)C1,OUMRFYNZWLKPSR-UHFFFAOYSA-N
-rxn:4:214871:222518,CC(C)(C)OC(=O)Nc1nc2c(-c3cnc(N4CCCC(C(=O)N5CCOCC5)C4)c(Cl)c3)ccc(F)c2s1,GHEMJDJCSZUVLU-UHFFFAOYSA-N
-rxn:4:214873:222477,Cc1ccc(CNC(=O)c2cccc(-c3cnc(N4CCCC(C(=O)N5CCOCC5)C4)c(F)c3)c2F)cc1,BSDIMPFNHJJKPJ-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:4:214873:223834,Cc1cc(-c2cnc(N3CCCC(C(=O)N4CCOCC4)C3)c(F)c2)cc(C)c1S(=O)(=O)N1CCN(C)CC1,GNPKXAAIWCYWLO-UHFFFAOYSA-N
-rxn:4:214873:224597,O=C(C1CCCN(c2ncc(-c3cc(C4CC4)cc(N4CCOCC4)c3)cc2F)C1)N1CCOCC1,JIGATVWQIKSBEJ-UHFFFAOYSA-N
-rxn:4:214873:227480,CCCOc1nccc(-c2cnc(N3CCCC(C(=O)N4CCOCC4)C3)c(F)c2)c1Cl,QHTAABGLMGZMRI-UHFFFAOYSA-N
-rxn:4:214875:227464,CCCCSc1ncc(-c2cnc(N3CCCC(C(=O)N4CCSCC4)C3)c(F)c2)cn1,YRGGJHYADGDCBP-UHFFFAOYSA-N
-rxn:4:214880:222584,Cc1cc(-c2ccc(OCCCN3CCNCC3)c(F)c2)cnc1N1CCOC(C(=O)N2CCOCC2)C1,JFPHXQIXSQNAOB-UHFFFAOYSA-N
-rxn:4:215016:223593,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc4c(c3)ncn4C(=O)OC(C)(C)C)cc2Cl)CC1,FIQAKWTVVFTGGP-UHFFFAOYSA-N
-rxn:4:215099:222936,CCC(=O)NS(=O)(=O)c1ccc(-c2cnn3c2CN(C(=O)OC(C)(C)C)[C@H](C)C3)cc1,PQLUSCMHBVRJAT-CQSZACIVSA-N
-rxn:4:215101:222637,CC(NC(=O)OC(C)(C)C)c1ccc(-c2ncc3n2CCN(C(=O)OC(C)(C)C)CC3)cc1,SRJNGBUGVCWBAZ-UHFFFAOYSA-N
-rxn:4:215102:223573,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cn4c(n3)CCN(C(=O)OC(C)(C)C)CC4)cc2)CC1,UIFQZSJYBPIRBN-UHFFFAOYSA-N
-rxn:4:215105:224712,CC(=O)OC(OC(C)=O)c1ccc(-c2n[nH]c3c2CN(C(=O)OC(C)(C)C)C3(C)C)cc1,ZHRSZPAPAGXFQK-UHFFFAOYSA-N
-rxn:4:215148:223098,CC(=O)NS(=O)(=O)c1ccc(-c2ncc3n2CC(C)(C)N(C(=O)OC(C)(C)C)C3)cc1,LKJIWSACLMKLGW-UHFFFAOYSA-N
-rxn:4:215216:222634,O=C(C1CCCN(c2nc3ccc(-c4ccc(OCCNC5CCCC5)c(F)c4)cc3s2)C1)N1CCOCC1,ABUVHOTXGYSIOO-UHFFFAOYSA-N
-rxn:4:215677:223530,Cn1nc(C(F)(F)F)cc1-c1cncc(-c2cc(F)ccc2CN2CCN(C(=O)OC(C)(C)C)CC2)c1,NKILZMFVILBMTL-UHFFFAOYSA-N
-rxn:4:215704:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cnc(N4CCOCC4)c(C#N)c3)c2Cl)CC1,HRTTVCLFXQVHFW-UHFFFAOYSA-N
-rxn:4:215708:223787,CN1CCN(CCCOc2ccc(-c3cnc(C(=O)N4CCOCC4)nc3)cc2F)CC1,IUVQUOCMZFJXAL-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:4:215899:222723,CS(=O)(=O)N1CCCC(c2cnc(-c3cccc(NS(=O)(=O)N4CCOCC4)c3)cn2)C1,IUNALENVFMDZPK-UHFFFAOYSA-N
-rxn:4:215941:222584,CN(C)C1CCN(c2cnccc2-c2ccc(OCCCN3CCNCC3)c(F)c2)CC1,MVSGUSYCAWEHRM-UHFFFAOYSA-N
-rxn:4:215943:222584,CN(C)C1CCN(c2cc(-c3ccc(OCCCN4CCNCC4)c(F)c3)ccn2)CC1,MMGRZKFCTISBGT-UHFFFAOYSA-N
-rxn:4:215944:222584,CN(C)C1CCN(c2cccc(-c3ccc(OCCCN4CCNCC4)c(F)c3)n2)CC1,XJANTHAGGYPZDR-UHFFFAOYSA-N
-rxn:4:215945:222584,CN(C)C1CCN(c2ccnc(-c3ccc(OCCCN4CCNCC4)c(F)c3)c2)CC1,JAOHFKJUISGQGB-UHFFFAOYSA-N
-rxn:4:215953:222584,CN(C)C1CCN(c2ccc(-c3ccc(OCCCN4CCNCC4)c(F)c3)cn2)CC1,VMDGNDPUBJCYIP-UHFFFAOYSA-N
-rxn:4:215955:222584,CN(C)C1CCN(c2ccncc2-c2ccc(OCCCN3CCNCC3)c(F)c2)CC1,JBMLTRIYOVLJLI-UHFFFAOYSA-N
-rxn:4:215956:222584,CN(C)C1CCN(c2cncc(-c3ccc(OCCCN4CCNCC4)c(F)c3)c2)CC1,GTKQHQBARMRXRK-UHFFFAOYSA-N
-rxn:4:215957:222584,CN(C)C1CCN(c2ncccc2-c2ccc(OCCCN3CCNCC3)c(F)c2)CC1,NABJTDMVYAWIHQ-UHFFFAOYSA-N
-rxn:4:216219:222723,CN1C2CCC1CC(Oc1ncc(-c3cccc(NS(=O)(=O)N4CCOCC4)c3)cn1)C2,PCOGCUJOLKUKBV-UHFFFAOYSA-N
-rxn:4:216231:224712,C=C1CC2CCC(C1)N2c1nc(SC)ncc1-c1ccc(C(OC(C)=O)OC(C)=O)cc1,WFYOBQPGIDPQPT-UHFFFAOYSA-N
-rxn:4:216606:223502,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3cn(C4CCC4)nn3)cc2F)CC1,IBFALUPZLVWVHM-UHFFFAOYSA-N
-rxn:4:216894:223595,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3nnc(N4CCOCC4)s3)cc2F)CC1,WAHZSTGFMJPAHU-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:4:217889:224460,c1nc(N2C3CCC2CC(=C2CC2)C3)ncc1-c1cc(C2CC2)cc(N2CCCCC2)c1,CVBBQPKOCQKVIC-UHFFFAOYSA-N
-rxn:4:218567:226560,CCOc1cc(F)c(-c2cnc(N(C)CC3CN(C(=O)OC(C)(C)C)C3)cn2)cc1OC,VUKWNLIERGXTTK-UHFFFAOYSA-N
-rxn:4:218589:222740,CC(C)c1cc(-c2cnc(OCC3CCCN(S(=O)(=O)c4ccc(C#N)cc4)C3)nc2)cc(C2CCCNC2)n1,DWUWYAKMEJOAAS-UHFFFAOYSA-N
-rxn:4:218615:223592,CN(CC1CCN(C(=O)OC(C)(C)C)C1)c1cnc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2Cl)cn1,LTPFMYBOVLRDAK-UHFFFAOYSA-N
-rxn:4:218620:222770,O=C(NC1CCCC1)c1ccc(-c2cnc(OCC3CCCN(Cc4csc(C5CC5)n4)C3)nc2)cc1Cl,JIAWRHMTVDMPOO-UHFFFAOYSA-N
-rxn:4:218652:223176,CN(CC1CCN(C(=O)OC(C)(C)C)CC1)c1cnc(-c2cccc(CNS(C)(=O)=O)c2)cn1,ZMTYNSSRXDPNLJ-UHFFFAOYSA-N
-rxn:4:218652:224158,CN(CC1CCN(C(=O)OC(C)(C)C)CC1)c1cnc(-c2ccc3c(ccn3C(=O)OC(C)(C)C)c2)cn1,UBVGZVQOHOSEKC-UHFFFAOYSA-N
-rxn:4:218652:228334,CCOc1cnc(F)c(-c2cnc(N(C)CC3CCN(C(=O)OC(C)(C)C)CC3)cn2)c1,DPEMPOMPXMXOPM-UHFFFAOYSA-N
-rxn:4:218682:224400,CC(=O)N1CCC(C(=O)N2CCCC(COc3ncc(-c4ccc(N5CCOCC5)c(C(F)(F)F)c4)cn3)C2)CC1,RLINPGOVGFOPKZ-UHFFFAOYSA-N
-rxn:4:218832:223743,Cc1ccc(-c2cnc(OCC3CCCN(C(=O)c4cscn4)C3)nc2)cc1OCCCN1CCC(C)CC1,LLTYDONGHOTHIH-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:4:218877:223816,C[Si](C)(C)CCOCn1c(-c2cnc(OC3CCCN(C(=O)CN4CCOC4=O)C3)nc2)cc2c(Cl)ccnc21,GHSSMJAHKNFLTF-UHFFFAOYSA-N
-rxn:4:218883:223761,CC(C)(C)OC(=O)N1CCCC1c1ccc(-c2cnc(OCC3CCCN(C(=O)c4cccnc4)C3)nc2)cc1,HDNSBZJADPSYSV-UHFFFAOYSA-N
-rxn:4:218914:222723,Cc1nc(CN2CCC(COc3ncc(-c4cccc(NS(=O)(=O)N5CCOCC5)c4)cn3)CC2)cs1,VENJOODVAGLMTA-UHFFFAOYSA-N
-rxn:4:218914:223812,Cc1nc(CN2CCC(COc3ncc(-c4cc(F)cc(CN5CCC6(CC5)OCCO6)c4)cn3)CC2)cs1,CMBGTUOVGLJWLR-UHFFFAOYSA-N
-rxn:4:218917:226482,COCCOc1ncc(-c2cnc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)nc2)cc1C,UOGVQXCMWJIEQU-UHFFFAOYSA-N
-rxn:4:218917:227465,COCCOc1cncc(-c2cnc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)nc2)c1,ZBJVTJGAUMFRRR-UHFFFAOYSA-N
-rxn:4:218920:222707,COc1cnc(OC2CCN(C(=O)c3cncc(-c4ccnc(CNC(=O)OC(C)(C)C)c4F)c3)CC2)nc1,QLJFIXBMSLBQGA-UHFFFAOYSA-N
-rxn:4:218971:223945,Cc1nc(C)c(C(=O)N2CCC(COc3ncc(-c4ccc(OCCCN5CCOCC5)c(F)c4)cn3)CC2)s1,NABHJVPPOYWTAZ-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:4:218998:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2cnc(OCC3CCCN(C(=O)N4CCOCC4)C3)nc2)CC1,BBNACHBNAHAOQL-UHFFFAOYSA-N
-rxn:4:218999:222787,C[C@H]1CN(C(=O)OC(C)(C)C)CCN1c1ncc(-c2ccc(NC(=O)OC(C)(C)C)cc2Cl)cc1C#N,WOGXPXOGGNZLDJ-KRWDZBQOSA-N
-rxn:4:219011:223084,CN(c1cnc(-c2cnc(N3CCC(O)CC3)nc2)cn1)C1CCN(C(=O)OC(C)(C)C)CC1,IHXFTMHTXWZDEN-UHFFFAOYSA-N
-rxn:4:219046:223670,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2cnc(OCC3CCCN(C4CCN(C5CC5)C4=O)C3)nc2)CC1,MQGJTMYQOQOCOK-UHFFFAOYSA-N
-rxn:4:219048:223997,Cc1cc(-c2ccc(S(=O)(=O)N3CCC(N(c4ccncn4)C4CC4)CC3)cc2)cc(C)c1S(=O)(=O)N1CCOCC1,MSYMEWHLXHLRCU-UHFFFAOYSA-N
-rxn:4:219155:223872,CCN(C(=O)c1cccc(-c2cncc(C(=O)N3CC4CCCC4(COc4ncc(C)cn4)C3)c2)c1)C1CCCCC1,WEORHFYTZABLKV-UHFFFAOYSA-N
-rxn:4:219155:225641,Cc1cnc(OCC23CCCC2CN(C(=O)c2cncc(-c4ccnc(N5CCCC(C)C5)c4)c2)C3)nc1,OKTFSSBHXOVHCW-UHFFFAOYSA-N
-rxn:4:219205:222546,COc1ccc(CCC(=O)N2CCc3c(cnc4cc(C)nn34)C2)cc1-c1ccc(OCCNC2CCCCC2)c(F)c1,VGAZWSYCIAFSHV-UHFFFAOYSA-N
-rxn:4:219242:223573,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cnnn3C3CN(C(=O)OC(C)(C)C)C3)cc2)CC1,WRSLSVSIHMXDJS-UHFFFAOYSA-N
-rxn:4:219243:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3ncn(C4CN(C(=O)OC(C)(C)C)C4)n3)ccn2)CC1,LIOQJJLQCQEMOH-UHFFFAOYSA-N
-rxn:4:219312:223593,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(OCC4CCCN(c5nccs5)C4)nc3)cc2Cl)CC1,AEYHAQZRGWNCQB-UHFFFAOYSA-N
-rxn:4:219353:225640,CC1CCCCN1c1cc(-c2cnc(OC3CCN(S(=O)(=O)N(C)C)CC3)nc2)ccn1,NJXPRQNYNYOSNK-UHFFFAOYSA-N
-rxn:4:219353:225882,CN(C)S(=O)(=O)N1CCC(Oc2ncc(-c3cnc(Cl)c(C4CCOCC4)c3)cn2)CC1,KIBRACMSKQSRQM-UHFFFAOYSA-N
-rxn:4:219371:223889,CC(C)(C)OC(=O)N1CCC(n2cnnc2-c2cccc3c2CN(C(=O)OC(C)(C)C)CC3)CC1,WWXHMHWKHRCTJL-UHFFFAOYSA-N
-rxn:4:219383:223595,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(OCC4CCCN(c5ccncc5Cl)C4)nc3)cc2F)CC1,VXESIBOBYIHXQF-UHFFFAOYSA-N
-rxn:4:219402:224393,CC(C)(C)OC(=O)N1CCN(c2cnc(-c3cc(C(F)(F)F)ccc3N3CCOCC3)cn2)CC1,AILAQRRWGXVHRM-UHFFFAOYSA-N
-rxn:4:219402:225984,CC(C)(C)OC(=O)N1CCN(c2cnc(-c3cnc(Cl)c(N4CCOCC4)c3)cn2)CC1,YMQDWMXMAMODMV-UHFFFAOYSA-N
-rxn:4:219405:222634,CC(C)(C)OC(=O)N1CCN(c2ccnc(-c3ccc(OCCNC4CCCC4)c(F)c3)n2)CC1,ZWESTOKFAFAHMJ-UHFFFAOYSA-N
-rxn:4:219410:222942,O=S(=O)(NC1CC1)c1ccc(-c2cnc(OC3CCN(S(=O)(=O)N4CCOCC4)C3)nc2)cc1F,VGVQVKGACJTZDD-UHFFFAOYSA-N
-rxn:4:219410:223028,CCCNC(=O)c1ccc(F)c(-c2cnc(OC3CCN(S(=O)(=O)N4CCOCC4)C3)nc2)c1,UOGQJOPQPCSBGE-UHFFFAOYSA-N
-rxn:4:219410:223077,O=S(=O)(NC1CC1)c1ccc(-c2cnc(OC3CCN(S(=O)(=O)N4CCOCC4)C3)nc2)cc1,MZNBPPRIGHJICH-UHFFFAOYSA-N
-rxn:4:219410:223182,CCNS(=O)(=O)c1ccc(-c2cnc(OC3CCN(S(=O)(=O)N4CCOCC4)C3)nc2)cc1,VOOSESMOEABNJF-UHFFFAOYSA-N
-rxn:4:219410:223187,CONS(=O)(=O)c1cccc(-c2cnc(OC3CCN(S(=O)(=O)N4CCOCC4)C3)nc2)c1,LWCNIAXEYYRUTP-UHFFFAOYSA-N
-rxn:4:219410:223191,CNS(=O)(=O)c1ccc(-c2cnc(OC3CCN(S(=O)(=O)N4CCOCC4)C3)nc2)cc1F,LVSHGKWADIZUSS-UHFFFAOYSA-N
-rxn:4:219410:223192,CNS(=O)(=O)c1cc(-c2cnc(OC3CCN(S(=O)(=O)N4CCOCC4)C3)nc2)ccc1F,FTRCTHRARNKYRG-UHFFFAOYSA-N
-rxn:4:219410:227476,CCOC(=O)c1ccc(-c2cnc(OC3CCN(S(=O)(=O)N4CCOCC4)C3)nc2)cn1,JMXLSWXKAIZOII-UHFFFAOYSA-N
-rxn:4:219410:227477,CCOC(=O)c1cc(-c2cnc(OC3CCN(S(=O)(=O)N4CCOCC4)C3)nc2)ccn1,BGPIPZIEJJTWFA-UHFFFAOYSA-N
-rxn:4:219456:223934,CC1CN(C(=O)OC(C)(C)C)CCC1n1ncc(-c2cc3ccc(F)cc3n2C(=O)OC(C)(C)C)n1,AJJCOHNKVVVXQU-UHFFFAOYSA-N
-rxn:4:219457:223937,CC1CN(C(=O)OC(C)(C)C)CCC1n1cc(-c2cc3cccc(Cl)c3n2C(=O)OC(C)(C)C)nn1,FONJZCICGXXPSP-UHFFFAOYSA-N
-rxn:4:219465:223533,Cc1cc(OCC2CCCN(c3ncc(-c4ccc(CN5CCN(C(=O)OC(C)(C)C)CC5)cc4F)cn3)C2)ccn1,NTSRBTSZYNVKLP-UHFFFAOYSA-N
-rxn:4:219468:222901,CCCS(=O)(=O)NCc1ccc(-c2cnc(OC3CCN(C(=O)N4CCOCC4)CC3)nc2)cc1,WTNJHTRFOAATLV-UHFFFAOYSA-N
-rxn:4:219473:226498,CCN(CC)c1ncc(-c2cnc(N3CCOC(C(=O)N4CCCC4)C3)nc2OC)cc1Cl,DXRLKHCZUMBSKL-UHFFFAOYSA-N
-rxn:4:219533:222584,CSc1ncc(-c2ccc(OCCCN3CCNCC3)c(F)c2)c(N2CCCC(C(=O)N3CCOCC3)C2)n1,DDFDVEHPCUMTHH-UHFFFAOYSA-N
-rxn:4:219551:222634,CC(C)N1CCC(N2CCC(Oc3ncc(-c4ccc(OCCNC5CCCC5)c(F)c4)cn3)CC2)C1=O,PRXUIOMFFMHKEZ-UHFFFAOYSA-N
-rxn:4:219641:223816,C[Si](C)(C)CCOCn1c(-c2cccnc2OC2CCN(C(=O)c3cc4n(n3)CCCO4)C2)cc2c(Cl)ccnc21,HOIOZWYZRLULOX-UHFFFAOYSA-N
-rxn:4:219687:223591,CC(C)(C)OC(=O)N1CCC(n2nnc3ccc(-c4cc(N5CCN(C(=O)OC(C)(C)C)CC5)ccc4F)cc32)CC1,ISIJHFHEDXHIFS-UHFFFAOYSA-N
-rxn:4:219766:225126,O=C(c1cncc(-c2cc(F)ccc2OCC2CCCO2)c1)N1CCC(Cn2nc3c(cc2=O)CCCC3)CC1,XBGOUIJNMCKTRQ-UHFFFAOYSA-N
-rxn:4:219880:224010,COc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1cnc(SC)nc1N1CCN(S(C)(=O)=O)CC1,HQXVUBCVYBYZHP-UHFFFAOYSA-N
-rxn:4:219880:225264,COC(=O)c1ccc(-c2cnc(SC)nc2N2CCN(S(C)(=O)=O)CC2)cc1C(=O)OC,JCHGZXYLGITDKP-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:4:219955:223787,CN1CCN(CCCOc2ccc(-c3cnc(N4CCOC(C(=O)N5CCSCC5)C4)nc3)cc2F)CC1,MHICNDGOQHPTGE-UHFFFAOYSA-N
-rxn:4:219959:223181,CCNS(=O)(=O)c1cccc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)nc2)c1,MFSDQLOXGWOEJC-UHFFFAOYSA-N
-rxn:4:219959:223592,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(N4CCOC(C(=O)N5CCOCC5)C4)nc3)c(Cl)c2)CC1,JSMOPNKYXWMKJF-UHFFFAOYSA-N
-rxn:4:220041:222787,CC(C)(C)OC(=O)Nc1ccc(-c2nnn3c2CN(C(=O)OC(C)(C)C)CC3)c(Cl)c1,IUJBWFXBAHXQQU-UHFFFAOYSA-N
-rxn:4:220136:222719,O=S(=O)(C1CC1)N1CCN(c2ncnc3ccc(-c4cc(C5CCCNC5)nc(C(F)(F)F)c4)cc23)CC1,BZLWQJYIMAWODP-UHFFFAOYSA-N
-rxn:4:220191:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc4nc(N5CCOC(C(=O)N6CCCC6)C5)ncc4c3)c2)CC1,XIHSSAYESKICDT-UHFFFAOYSA-N
-rxn:4:220404:223787,CN1CCN(CCCOc2ccc(-c3c(C(=O)N4CCN(C)CC4)cnn3C)cc2F)CC1,RQLKLGVKROZHSO-UHFFFAOYSA-N
-rxn:4:220414:222722,Cc1c(-c2cccc(S(=O)(=O)N3CCC(O)CC3)c2)cnc(N2CCN(C)CC2)c1[N+](=O)[O-],IAUSIOCYNMWNHW-UHFFFAOYSA-N
-rxn:4:220935:223532,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)cc(-c3cnc4ccc(N5CCOCC5)nn34)c2)CC1,CRGLETHNJIVMGC-UHFFFAOYSA-N
-rxn:4:221090:224666,CCOC(=O)c1cnc(N2CCCC2)nc1Cn1cc(-c2ccc(F)c(CN3CCN(C)CC3)c2)cn1,GNPHKKYSVTVJJX-UHFFFAOYSA-N
-rxn:4:221090:224667,CCOC(=O)c1cnc(N2CCCC2)nc1Cn1cc(-c2ccc(Cl)c(CN3CCN(C)CC3)c2)cn1,CTPFKPIFHJINDE-UHFFFAOYSA-N
-rxn:4:221114:222999,CCOc1ccc(-c2cc(Cl)cc(C3CCCNC3)c2)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N3CCCC3)n2)CC1,GUADRYHWGUDXCV-UHFFFAOYSA-N
-rxn:4:221114:228584,CCOc1ccc(-c2ccnc(C3CC3)c2)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N3CCCC3)n2)CC1,VJAFIGNRTDDZKQ-UHFFFAOYSA-N
-rxn:4:221126:222622,CCOC(=O)C1CCCN(c2nc3c(S(=O)(=O)c4ccc(-c5cc(C(C)CC)nc(C6CCCNC6)c5)cc4)nnn3c3ccsc23)C1,KBXAVQQBGDGSDD-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:4:221169:224867,Cn1cc(S(=O)(=O)N2CCCC(COc3ncc(-c4ccc(OCC5CCCCC5)cc4)cn3)C2)cn1,XNURXFHFWJWJMU-UHFFFAOYSA-N
-rxn:4:221172:224672,CCN1CCN(c2ccc(-c3cnc(OCC4CCN(C(=O)c5ccc(=O)n(C)n5)CC4)nc3)c(Cl)c2)CC1,LHJBIQIVMRAVCP-UHFFFAOYSA-N
-rxn:4:221198:223812,CC(C)(C)c1ccc(OCC2CCN(c3ncc(-c4cc(F)cc(CN5CCC6(CC5)OCCO6)c4)cn3)CC2)nn1,JRSXZKFQDOJLOW-UHFFFAOYSA-N
-rxn:4:221204:224759,O=C(c1cc(F)cc(-c2ccc(CCN3CCN(c4nccc(N5CCOCC5)n4)CC3)cc2)c1)N1CCOCC1,LIBOVRRZKVAVIK-UHFFFAOYSA-N
-rxn:4:221249:222980,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc4c(-c5ccc(CN6CCNCC6)cc5)cnn4c3)cc2)CC1,SSORPCKUNXKJIU-UHFFFAOYSA-N
-rxn:4:221249:225898,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc4c(-c5cnn(CCN6CCOCC6)c5)cnn4c3)cc2)CC1,PMJAQUHUWYZGHJ-UHFFFAOYSA-N
-rxn:4:221249:225980,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc4c(-c5cc(N6CCOCC6)ncc5F)cnn4c3)cc2)CC1,FHCAZSSEFGJWRF-UHFFFAOYSA-N
-rxn:4:221294:223536,CSc1nccc(N2CC(Cn3cc(-c4cc(F)c(F)c(N5CCN(C(=O)OC(C)(C)C)CC5)c4)cn3)C2)n1,BNFCVPWJAXMCFF-UHFFFAOYSA-N
-rxn:4:221347:223531,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cnc(OCC4CCN(c5ncc(F)cn5)CC4)nc3)cc2Cl)CC1,NYSXDOQMJQMRTI-UHFFFAOYSA-N
-rxn:4:221347:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3cnc(OCC4CCN(c5ncc(F)cn5)CC4)nc3)cc21,OJKYDEXDNWFXGZ-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:4:221394:223636,CC(C)(C)OC(=O)N1CCCC(c2ccc(-c3cnc(N4CCC(Cn5nc(C6CC6)ccc5=O)CC4)nc3)cc2)C1,CWXZWZXGORWCNS-UHFFFAOYSA-N
-rxn:4:221395:224391,Cc1cc(S(=O)(=O)N2CCOCC2)ccc1-c1cnc(N2CCC(Cn3cnc(C4CC4)cc3=O)CC2)nc1,FCQCWXCIGSUUPL-UHFFFAOYSA-N
-rxn:4:221412:222584,Cc1nc(C)c(C)c(OCC2CCN(c3ncc(-c4ccc(OCCCN5CCNCC5)c(F)c4)cn3)CC2)n1,LKQODVSWRYOOBL-UHFFFAOYSA-N
-rxn:4:221413:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(C(=O)N4CCN(c5cc(N6CCOCC6)ncn5)CC4)o3)c2)CC1,VDVASHXQUGXFBF-UHFFFAOYSA-N
-rxn:4:221422:223280,O=C(c1cc(-c2cnc(C3CCNC3)nc2)ccc1Cl)N1CCN(c2ccc(N3CCOCC3)nn2)CC1,WCNOVFYFNMEQEI-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:4:221440:223505,Cc1cc(N2CCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(S(=O)(=O)N5CCN(C(=O)OC(C)(C)C)CC5)cc4)cc3)CC2)n1,PBKKQCDEPHIUDE-UHFFFAOYSA-N
-rxn:4:221440:224327,Cc1cc(N2CCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccc(S(=O)(=O)N5CCCC(C)C5)c4)cc3)CC2)n1,QYEMSKVGKDVRNH-UHFFFAOYSA-N
-rxn:4:221440:224374,COc1ccc(S(=O)(=O)N2CCCC2)cc1-c1ccc(S(=O)(=O)N2CCN(c3nc(C)cc(N4CCCC4)n3)CC2)cc1,ARJLBHIHPSRPBE-UHFFFAOYSA-N
-rxn:4:221444:223114,CCCNC(=O)c1cccc(-c2ccccc2CN2CCN(c3nc(C)cc(N4CCOCC4)n3)CC2)c1,PENDIJHJTNFWOE-UHFFFAOYSA-N
-rxn:4:221449:223239,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cncc(C5CCCN5)c4)cc3)CC2)n1,HECGAVJVJHUPBW-UHFFFAOYSA-N
-rxn:4:221453:223950,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4cnc(OCc5ccccc5)nc4N(C)C)cc3)CC2)n1,UZTWJPLRUSJHIP-UHFFFAOYSA-N
-rxn:4:221456:223239,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cncc(C5CCCN5)c4)cc3)CC2)n1,PEZYAKYUXHSEBI-UHFFFAOYSA-N
-rxn:4:221456:225110,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(OC(=O)OC(C)(C)C)cc4)cc3)CC2)n1,IRLUALNPMQFRDZ-UHFFFAOYSA-N
-rxn:4:221499:223579,CC1CN(C(=O)OC(C)(C)C)CCN1c1ccc(-c2ccc3ccn(CC(=O)N4CCN(c5ncccn5)CC4)c3c2)cc1,HXRJKGAKANWLOM-UHFFFAOYSA-N
-rxn:4:221564:222948,CCCCn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3cnc(N4CCC(O)CC4)nc3Cl)cc2)n(C)c1=O,IHMHWTSCBHZUBD-UHFFFAOYSA-N
-rxn:4:221633:223505,Cc1ccnc(N2CCN(c3ncc(C(F)(F)F)cc3-c3ccc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)cc3)CC2)n1,WEJFTFMMUYUSPA-UHFFFAOYSA-N
-rxn:4:221731:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCC(Cn5nc6c(cc5=O)CCCC6)CC4)nc3)cc2)CC1,HTIJUOQIMVSIAU-UHFFFAOYSA-N
-rxn:4:221980:225882,CC(C)(C)OC(=O)N1CCN(c2cc(=O)n3nc(-c4cncc(-c5cnc(Cl)c(C6CCOCC6)c5)c4)sc3n2)CC1,FQUQMAJBWZZTAZ-UHFFFAOYSA-N
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-rxn:4:222008:223533,Cc1nnc(CN2CCC(Oc3ncc(-c4ccc(CN5CCN(C(=O)OC(C)(C)C)CC5)cc4F)cn3)CC2)n1C,BDXHJNGCURJNIN-UHFFFAOYSA-N
-rxn:4:222062:228338,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cnc(OC5CCC5)s4)cc3)CC2)n1,CBGJWDLPFRYOBG-UHFFFAOYSA-N
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-rxn:4:222723:218914,Cc1nc(CN2CCC(COc3ncc(-c4cccc(NS(=O)(=O)N5CCOCC5)c4)cn3)CC2)cs1,VENJOODVAGLMTA-UHFFFAOYSA-N
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-rxn:4:222970:199999,CC(C)CNC(=O)c1ccccc1-c1ccc2c(=NC(=O)OC(C)(C)C)n(C(=O)OC(C)(C)C)ccc2c1,NPQZGFRJMQPCHW-UHFFFAOYSA-N
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-rxn:5:178118:223285:225803,CS(=O)(=O)Nc1ccccc1-c1ccc(-c2ccnc(OC3CCOCC3)c2)cc1OCC1CCCCO1,YYWPXANFNGLDSJ-UHFFFAOYSA-N
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-rxn:5:178295:222404:228582,COC(=O)C1(c2cc(-c3cnccc3C(C)C)ccc2-c2ccc(C3NC(=O)NC3=O)cc2)CCC(=O)CC1,HNDMCUZSXWIVBS-UHFFFAOYSA-N
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-rxn:5:178295:228173:227540,CCOc1cc(F)ccc1-c1ccc(-c2cc(SC)cc(F)c2OC)cc1C1(C(=O)OC)CCC(=O)CC1,FOWDLSISIVNOBD-UHFFFAOYSA-N
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-rxn:5:180602:226679:225784,COC(=O)C1Cc2cc(-c3ccc(CN4CCOCC4)nc3)cc(-c3cnc(N4CCCC4)cc3F)c2O1,AWTFYWDBJGNICN-UHFFFAOYSA-N
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-rxn:5:180662:223058:227505,COC(=O)C1=Cc2cc(-c3ccc(/C=C/[N+](=O)[O-])cc3)cc(-c3cc(F)nc(C4CCCNC4)c3)c2OC1,LBNFKFNGOCMHMT-CSKARUKUSA-N
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-rxn:5:188787:223006:225976,O=[N+]([O-])c1cc(-c2ccc(F)c(C3CCNCC3)c2)c(-c2ccnc(N3CCOCC3)c2F)cc1OC1CC1,PSCUMFXYOIRSIT-UHFFFAOYSA-N
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-rxn:5:189662:225982:227301,CN(C)Cc1cc(F)ccc1-c1ncc(-c2cnc(N3CCOCC3)cc2F)cc1OCC1CCOCC1,XMBXZBHYCJKNQK-UHFFFAOYSA-N
-rxn:5:189662:227024:223058,CC(c1cccc(-c2cnc(-c3cc(F)nc(C4CCCNC4)c3)c(OCC3CCOCC3)c2)c1)N(C)C,VYNOLPAODMLHFZ-UHFFFAOYSA-N
-rxn:5:189662:227297:223063,CN(C)Cc1ccc(F)c(-c2cnc(-c3cc(F)nc(C4CCNCC4)c3)c(OCC3CCOCC3)c2)c1,LUSOPHDNDBCEJO-UHFFFAOYSA-N
-rxn:5:189662:227299:223063,CN(C)Cc1cc(F)cc(-c2cnc(-c3cc(F)nc(C4CCNCC4)c3)c(OCC3CCOCC3)c2)c1,LSKMFKFBNNKRJK-UHFFFAOYSA-N
-rxn:5:189662:227301:223063,CN(C)Cc1cc(F)ccc1-c1cnc(-c2cc(F)nc(C3CCNCC3)c2)c(OCC2CCOCC2)c1,RZDWWZDUSAJCDZ-UHFFFAOYSA-N
-rxn:5:189665:223061:227297,CN(C)Cc1ccc(F)c(-c2cc(-c3cc(C4CCNCC4)ncc3F)cnc2OCC2CCOCC2)c1,VOCNBQSSJTZOQB-UHFFFAOYSA-N
-rxn:5:189665:223062:227297,CN(C)Cc1ccc(F)c(-c2cc(-c3cnc(C4CCNCC4)cc3F)cnc2OCC2CCOCC2)c1,GDPFLLJBESEXDG-UHFFFAOYSA-N
-rxn:5:189665:223063:227297,CN(C)Cc1ccc(F)c(-c2cc(-c3cc(F)nc(C4CCNCC4)c3)cnc2OCC2CCOCC2)c1,GLZQQYJIAIOWRB-UHFFFAOYSA-N
-rxn:5:189665:223063:227803,CN(C)S(=O)(=O)n1nccc1-c1cc(-c2cc(F)nc(C3CCNCC3)c2)cnc1OCC1CCOCC1,UHEOCAPRGCSFCX-UHFFFAOYSA-N
-rxn:5:189665:223064:227297,CN(C)Cc1ccc(F)c(-c2cc(-c3ccc(C4CCNCC4)nc3F)cnc2OCC2CCOCC2)c1,SZKWGTLVUSGRLM-UHFFFAOYSA-N
-rxn:5:189665:227710:225657,Cc1cc(-c2cc(-c3ccc(OS(C)(=O)=O)cc3)cnc2OCC2CCOCC2)ccc1N1CCOCC1,UGOYBPSGPUWYQM-UHFFFAOYSA-N
-rxn:5:189667:226843:225514,CC(C)(C)[S@](=O)/N=C/c1cc(-c2ccc(C(=O)C(F)(F)F)nc2)cc(-c2cccc3c2OCC2(CC2)CO3)c1,RDZUGBFCBXIQCP-FLJCCZPPSA-N
-rxn:5:189668:227505:223062,O=C(Cc1ccc(-c2cnc(C3CCNCC3)cc2F)cc1-c1ccc(/C=C/[N+](=O)[O-])cc1)N1CCCC1,OSJKUDLPERELMD-LFIBNONCSA-N
-rxn:5:189670:227671:225603,Cc1cccc(C(F)(F)F)c1-c1ccc(-c2cccc(C3(C#N)CCC3)c2F)c(/C=N/S(=O)C(C)(C)C)c1,UPIIFBWHTIZRKR-KULFSUQXSA-N
-rxn:5:189718:223065:223136,O=[N+]([O-])c1cc(-c2ccncc2C2CCCNC2)c(-c2ccc(N3CCNCC3)cc2F)cc1OC1CCOCC1,IKMMXKIJIGNKCB-UHFFFAOYSA-N
-rxn:5:189718:226645:223088,O=[N+]([O-])c1cc(-c2ccnc3[nH]c(C(F)(F)F)cc23)c(-c2ccnc(N3CCOCC3)c2)cc1OC1CCOCC1,HEFAFMHIRNOCQR-UHFFFAOYSA-N
-rxn:5:189718:229148:223065,O=[N+]([O-])c1cc(-c2ccc(N3CCNCC3)cc2F)c(-c2cnn(CCF)c2)cc1OC1CCOCC1,UVKCKKJGTVWYCV-UHFFFAOYSA-N
-rxn:5:189718:229148:225674,O=[N+]([O-])c1cc(-c2cnc(C3CCCCC3)cc2F)c(-c2cnn(CCF)c2)cc1OC1CCOCC1,WGLSXLNKCLBZKE-UHFFFAOYSA-N
-rxn:5:189827:225811:227932,COCc1ccc(C)c(-c2ccc(CC(=O)N3CCOCC3)cc2-c2ccc(C3(C(F)(F)F)CC3)cc2)c1,ZJDNIBQHLRRYRU-UHFFFAOYSA-N
-rxn:5:189829:227918:226046,COc1c(-c2ccc(SC3CC3)cc2)cc(C(=O)N2CCCC2)cc1-c1ccnc(C(F)(F)C(F)(F)F)c1,ANGYPWMZOQQFCA-UHFFFAOYSA-N
-rxn:5:189908:222404:223289,CNS(=O)(=O)c1ccccc1-c1ncc(-c2ccc(C3NC(=O)NC3=O)cc2)cc1OCC1CCCCC1,XVCTZNSFCVOHHA-UHFFFAOYSA-N
-rxn:5:189908:227780:223006,O=[N+]([O-])c1ccc(F)c(-c2cnc(-c3ccc(F)c(C4CCNCC4)c3)c(OCC3CCCCC3)c2)c1F,JGRSCOIJFUEOQB-UHFFFAOYSA-N
-rxn:5:189908:227780:223061,O=[N+]([O-])c1ccc(F)c(-c2cnc(-c3cc(C4CCNCC4)ncc3F)c(OCC3CCCCC3)c2)c1F,NHAMROFOGARENC-UHFFFAOYSA-N
-rxn:5:189909:225834:223065,Fc1cc(N2CCNCC2)ccc1-c1ccc(-c2cc(N3CCCCC3)ncc2F)c(CCN2CCOCC2)c1,GQVXRGRKZYVTCQ-UHFFFAOYSA-N
-rxn:5:189910:226318:225809,CN(C)c1cc(-c2ccc(-c3cc(F)ccc3OC3CCOC3)c(CCN3CCOCC3)c2)cc(C2CC2)n1,CSPSUCBSNRBVJH-UHFFFAOYSA-N
-rxn:5:189952:223141:228653,COc1c(-c2cncc(C3CCNCC3)c2)cc(C(=O)N2CCOCC2)cc1-c1cnn2c1CCCC2,DOQVIFSYGJMPMX-UHFFFAOYSA-N
-rxn:5:189952:225982:223378,COc1c(-c2cnc3c(c2)NCCO3)cc(C(=O)N2CCOCC2)cc1-c1cnc(N2CCOCC2)cc1F,HGHNWXZODCYVHW-UHFFFAOYSA-N
-rxn:5:189952:227052:226159,COc1c(-c2ccc(SC(C)(C)C)cc2)cc(C(=O)N2CCOCC2)cc1-c1cccc(N2CCCCC2)c1,CCFGSVNMMUKOCQ-UHFFFAOYSA-N
-rxn:5:190097:227298:226661,CN(C)Cc1ccc(F)cc1-c1ccc(-c2cc(N3CCN(C)CC3)cs2)c(CCN2CCCCC2)c1,ZEZMTMBVRDLXES-UHFFFAOYSA-N
-rxn:5:190128:227049:227613,CCOc1c(C)cc(-c2ccc(C(=O)N3CCC(OC)CC3)cc2-c2cnn(C3CCOCC3)c2)cc1C,ZJHAKUWQDCVOGB-UHFFFAOYSA-N
-rxn:5:190128:227540:227362,CCOc1cc(C)cc(F)c1-c1cc(C(=O)N2CCC(OC)CC2)ccc1-c1cc(SC)cc(F)c1OC,GINDHHHYBPKLSP-UHFFFAOYSA-N
-rxn:5:190132:226084:227040,COC1CCN(C(=O)c2ccc(-c3ccc4c(c3)C(=O)CCCC4)cc2-c2cc(C)ccc2OC(C)C)CC1,RUKVQWCYFJADHY-UHFFFAOYSA-N
-rxn:5:190132:227052:227561,COc1cc(F)c(-c2cc(-c3ccc(SC(C)(C)C)cc3)ccc2C(=O)N2CCC(OC)CC2)cc1OC,WCKKWWIOYTVLBK-UHFFFAOYSA-N
-rxn:5:190195:223062:228361,CN(C)c1cc(-c2cc(CN(C)C3CCOCC3)ccc2-c2cnc(C3CCNCC3)cc2F)c(F)cn1,VIOBHQAUSOKNDI-UHFFFAOYSA-N
-rxn:5:190195:225655:223113,CC1CCN(c2cncc(-c3ccc(CN(C)C4CCOCC4)cc3-c3ccc4c(c3)C(C)(C)C(=O)N4)c2)CC1,IFSJHCBPTGYDAF-UHFFFAOYSA-N
-rxn:5:190195:228361:223062,CN(C)c1cc(-c2ccc(CN(C)C3CCOCC3)cc2-c2cnc(C3CCNCC3)cc2F)c(F)cn1,REBCREDHDJIKHY-UHFFFAOYSA-N
-rxn:5:190195:228363:223063,CN(C)c1cc(F)c(-c2ccc(CN(C)C3CCOCC3)cc2-c2cc(F)nc(C3CCNCC3)c2)cn1,FUKNBYCLVFCYPG-UHFFFAOYSA-N
-rxn:5:190195:228366:223064,CN(C)c1ncc(-c2ccc(CN(C)C3CCOCC3)cc2-c2ccc(C3CCNCC3)nc2F)cc1F,XNLMYMKAAFIXLX-UHFFFAOYSA-N
-rxn:5:190196:222417:225784,CC(C)c1[nH]c(=O)ncc1-c1ccc(CN(C)C2CCOCC2)c(-c2ccc(CN3CCOCC3)nc2)c1,SNXJIUMTOLHCCW-UHFFFAOYSA-N
-rxn:5:190196:223062:228363,CN(C)c1cc(F)c(-c2cc(-c3cnc(C4CCNCC4)cc3F)ccc2CN(C)C2CCOCC2)cn1,RBPQSHWYBQOVKY-UHFFFAOYSA-N
-rxn:5:190196:223063:228363,CN(C)c1cc(F)c(-c2cc(-c3cc(F)nc(C4CCNCC4)c3)ccc2CN(C)C2CCOCC2)cn1,PLAYKMKUXLJHPS-UHFFFAOYSA-N
-rxn:5:190196:225978:222417,CC(C)c1[nH]c(=O)ncc1-c1cc(-c2ccc(N3CCOCC3)nc2F)ccc1CN(C)C1CCOCC1,ABZFCVUBZQBXQC-UHFFFAOYSA-N
-rxn:5:190196:228337:226662,CCOc1cc(F)c(-c2ccc(CN(C)C3CCOCC3)c(-c3ccc(N4CCN(C)CC4)s3)c2)cn1,CLAFOECIOLGWRV-UHFFFAOYSA-N
-rxn:5:190197:223062:228348,CN(C)c1ccc(-c2ccc(CN(C)C3CCOCC3)c(-c3cnc(C4CCNCC4)cc3F)c2)c(F)n1,LNXDEPIIAHWBJM-UHFFFAOYSA-N
-rxn:5:190197:223062:228361,CN(C)c1cc(-c2ccc(CN(C)C3CCOCC3)c(-c3cnc(C4CCNCC4)cc3F)c2)c(F)cn1,SAFGFUUTZHZCRN-UHFFFAOYSA-N
-rxn:5:190197:223063:228361,CN(C)c1cc(-c2ccc(CN(C)C3CCOCC3)c(-c3cc(F)nc(C4CCNCC4)c3)c2)c(F)cn1,KZYWJZJVYUHRTO-UHFFFAOYSA-N
-rxn:5:190197:223063:228363,CN(C)c1cc(F)c(-c2ccc(CN(C)C3CCOCC3)c(-c3cc(F)nc(C4CCNCC4)c3)c2)cn1,QMRNDQIDWUZYTK-UHFFFAOYSA-N
-rxn:5:190197:223064:228361,CN(C)c1cc(-c2ccc(CN(C)C3CCOCC3)c(-c3ccc(C4CCNCC4)nc3F)c2)c(F)cn1,VVXFBEYKZJLWKE-UHFFFAOYSA-N
-rxn:5:190197:225881:223113,CN(Cc1ccc(-c2ccc3c(c2)C(C)(C)C(=O)N3)cc1-c1ccc(C2CCOCC2)nc1F)C1CCOCC1,AROJFJPXFGELEW-UHFFFAOYSA-N
-rxn:5:190197:226679:226644,CN(Cc1ccc(-c2cncc(N3CCOCC3)c2)cc1-c1cnc(N2CCCC2)cc1F)C1CCOCC1,PJHFWOSSQWQWDY-UHFFFAOYSA-N
-rxn:5:190197:227058:225868,COc1ccc(C2CC2)cc1-c1cc(-c2ccc(N3CCOCC3)c(F)c2)ccc1CN(C)C1CCOCC1,RRPQPPOBLSSTMS-UHFFFAOYSA-N
-rxn:5:190197:228348:223062,CN(C)c1ccc(-c2cc(-c3cnc(C4CCNCC4)cc3F)ccc2CN(C)C2CCOCC2)c(F)n1,HTZSSDCRRPYNMN-UHFFFAOYSA-N
-rxn:5:190197:228361:223064,CN(C)c1cc(-c2cc(-c3ccc(C4CCNCC4)nc3F)ccc2CN(C)C2CCOCC2)c(F)cn1,PRXHFDTXXBEABW-UHFFFAOYSA-N
-rxn:5:190197:228366:223065,CN(C)c1ncc(-c2cc(-c3ccc(N4CCNCC4)cc3F)ccc2CN(C)C2CCOCC2)cc1F,XSPRIHGBKTVRGT-UHFFFAOYSA-N
-rxn:5:190198:223061:227301,CN(C)Cc1cc(F)ccc1-c1cccc(-c2cc(C3CCNCC3)ncc2F)c1CN(C)C1CCOCC1,VISSUPIKQIBORC-UHFFFAOYSA-N
-rxn:5:190198:223062:228361,CN(C)c1cc(-c2cccc(-c3cnc(C4CCNCC4)cc3F)c2CN(C)C2CCOCC2)c(F)cn1,MNBXONNWZCHDHA-UHFFFAOYSA-N
-rxn:5:190198:223063:228363,CN(C)c1cc(F)c(-c2cccc(-c3cc(F)nc(C4CCNCC4)c3)c2CN(C)C2CCOCC2)cn1,UGRBCGSWTZXYMK-UHFFFAOYSA-N
-rxn:5:190198:225607:227301,CC(c1ccc(-c2cccc(-c3ccc(F)cc3CN(C)C)c2CN(C)C2CCOCC2)s1)N1CCCCC1,FVCBUIYSWKNKBH-UHFFFAOYSA-N
-rxn:5:190198:226661:227319,CC(C)Cc1cc(-c2cccc(-c3cc(N4CCN(C)CC4)cs3)c2CN(C)C2CCOCC2)c(F)cn1,QIYUABQVIMFGKT-UHFFFAOYSA-N
-rxn:5:190198:228363:223063,CN(C)c1cc(F)c(-c2cccc(-c3cc(F)nc(C4CCNCC4)c3)c2CN(C)C2CCOCC2)cn1,UGRBCGSWTZXYMK-UHFFFAOYSA-N
-rxn:5:190198:228692:223063,CN(C)Cc1ccc(-c2cccc(-c3cc(F)nc(C4CCNCC4)c3)c2CN(C)C2CCOCC2)s1,LHTNZGHRUMGZRK-UHFFFAOYSA-N
-rxn:5:190198:228694:223006,CCN(C)c1csc(-c2cccc(-c3ccc(F)c(C4CCNCC4)c3)c2CN(C)C2CCOCC2)c1,KMXHVRNNFZHWED-UHFFFAOYSA-N
-rxn:5:190198:228694:223062,CCN(C)c1csc(-c2cccc(-c3cnc(C4CCNCC4)cc3F)c2CN(C)C2CCOCC2)c1,KGHFIAPOAZAKLS-UHFFFAOYSA-N
-rxn:5:190199:223062:228348,CN(C)c1ccc(-c2ccc(-c3cnc(C4CCNCC4)cc3F)c(CN(C)C3CCOCC3)c2)c(F)n1,NIFZGGUSHSTLDA-UHFFFAOYSA-N
-rxn:5:190199:223062:228363,CN(C)c1cc(F)c(-c2ccc(-c3cnc(C4CCNCC4)cc3F)c(CN(C)C3CCOCC3)c2)cn1,PKLKSEYUEYBJPS-UHFFFAOYSA-N
-rxn:5:190199:223063:228363,CN(C)c1cc(F)c(-c2ccc(-c3cc(F)nc(C4CCNCC4)c3)c(CN(C)C3CCOCC3)c2)cn1,ZOBPAAFPKSQOIU-UHFFFAOYSA-N
-rxn:5:190199:223064:228361,CN(C)c1cc(-c2ccc(-c3ccc(C4CCNCC4)nc3F)c(CN(C)C3CCOCC3)c2)c(F)cn1,YYFFCICUBXZIMH-UHFFFAOYSA-N
-rxn:5:190199:223113:223065,CN(Cc1cc(-c2ccc(N3CCNCC3)cc2F)ccc1-c1ccc2c(c1)C(C)(C)C(=O)N2)C1CCOCC1,LYNIOBVHPFPSGK-UHFFFAOYSA-N
-rxn:5:190199:225982:228366,CN(C)c1ncc(-c2ccc(-c3cnc(N4CCOCC4)cc3F)c(CN(C)C3CCOCC3)c2)cc1F,QNAQNWYIJQDHNQ-UHFFFAOYSA-N
-rxn:5:190199:227299:226685,CN(C)Cc1cc(F)cc(-c2ccc(-c3cnc(C4CCOCC4)nc3)cc2CN(C)C2CCOCC2)c1,NTFZOZOOTSRTNI-UHFFFAOYSA-N
-rxn:5:190199:228363:223062,CN(C)c1cc(F)c(-c2ccc(-c3cnc(C4CCNCC4)cc3F)cc2CN(C)C2CCOCC2)cn1,PLFFETQBXNQECE-UHFFFAOYSA-N
-rxn:5:190199:228363:223063,CN(C)c1cc(F)c(-c2ccc(-c3cc(F)nc(C4CCNCC4)c3)cc2CN(C)C2CCOCC2)cn1,ZBLRIVFBMPPWIT-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:5:190200:227299:225978,CN(C)Cc1cc(F)cc(-c2cc(CN(C)C3CCOCC3)cc(-c3ccc(N4CCOCC4)nc3F)c2)c1,DBPOFRXPHYUVHM-UHFFFAOYSA-N
-rxn:5:190200:227496:226426,CCN(C)c1cc(F)c(-c2cc(CN(C)C3CCOCC3)cc(-c3ccc(N4CCC(C)CC4)s3)c2)cn1,ITGVHMCHEXGHJG-UHFFFAOYSA-N
-rxn:5:190201:223141:227301,CC1CN(CCc2cc(-c3cncc(C4CCNCC4)c3)ccc2-c2ccc(F)cc2CN(C)C)CCO1,COJBAIIFCDACEU-UHFFFAOYSA-N
-rxn:5:190201:226159:225652,CC1CCCN(c2cncc(-c3ccc(-c4cccc(N5CCCCC5)c4)cc3CCN3CCOC(C)C3)c2)C1,GTOGZYNOSDWMSY-UHFFFAOYSA-N
-rxn:5:190201:226794:227301,CC1CN(CCc2cc(-c3cnc(N4CCSCC4)nc3)ccc2-c2ccc(F)cc2CN(C)C)CCO1,SVJQUXFQVITHAN-UHFFFAOYSA-N
-rxn:5:190231:225976:226645,COc1c(-c2ccnc(N3CCOCC3)c2)cc(C(=O)N2CCOC(C)C2)cc1-c1ccnc(N2CCOCC2)c1F,OFNHIBRPCQEAAK-UHFFFAOYSA-N
-rxn:5:190231:227387:226395,COc1c(-c2cncc(N3CCCCC3)c2)cc(C(=O)N2CCOC(C)C2)cc1-c1ccnc(N2CCCC2)c1,HCQPOEYOWMPGOA-UHFFFAOYSA-N
-rxn:5:190231:228521:223188,CNc1cc(C(F)(F)F)c(-c2cc(C(=O)N3CCOC(C)C3)cc(-c3cc(C)c(C)c(C)c3)c2OC)cn1,ONRLWLCCUMPPST-UHFFFAOYSA-N
-rxn:5:190265:225886:226329,CC1CCCN(C(=O)Cc2ccc(-c3ccc(C4(C#N)CC4)c(F)c3)c(-c3ccc4c(ccn4S(C)(=O)=O)c3)c2)C1,PZFJTVMDWIAPMW-UHFFFAOYSA-N
-rxn:5:190307:223063:227301,CC1CCN(CCc2cc(-c3cc(F)nc(C4CCNCC4)c3)ccc2-c2ccc(F)cc2CN(C)C)CC1,XSSKSKLSRKONEL-UHFFFAOYSA-N
-rxn:5:190307:223294:227298,CC1CCN(CCc2cc(-c3csc(N4CCNCC4)n3)ccc2-c2cc(F)ccc2CN(C)C)CC1,OJMJSGWHBHIOKX-UHFFFAOYSA-N
-rxn:5:190307:226729:227301,CC1CCN(CCc2cc(-c3cnc(OC4CCOC4)nc3)ccc2-c2ccc(F)cc2CN(C)C)CC1,JYHKKCBHKIMXTF-UHFFFAOYSA-N
-rxn:5:190308:227718:227103,CC1CCCN(CCc2cc(-c3ccc(OC(F)F)cc3F)ccc2-c2sccc2C2CCCCC2)C1,JVFQQZHLIPQOIS-UHFFFAOYSA-N
-rxn:5:190336:226469:223421,CNC(C)c1ccc(-c2cc(C(=O)N3CCCC(C)C3)cc(-c3ccc4c(c3)N(C)C(=O)CO4)c2OC)s1,HCZUJZICBGNXTH-UHFFFAOYSA-N
-rxn:5:190740:222991:225834,CCOC(=O)c1cnc2c(C)cc(-c3ccc(N4CCCC(O)C4)cc3)cc2c1-c1cc(N2CCCCC2)ncc1F,VVKXKQVSOLDYJB-UHFFFAOYSA-N
-rxn:5:190740:225976:225784,CCOC(=O)c1cnc2c(C)cc(-c3ccnc(N4CCOCC4)c3F)cc2c1-c1ccc(CN2CCOCC2)nc1,SWBGQAZPJFKNMS-UHFFFAOYSA-N
-rxn:5:190740:225976:226571,CCOC(=O)c1cnc2c(C)cc(-c3ccnc(N4CCOCC4)c3F)cc2c1-c1cnn(CC2CCOCC2)c1,CFPUJUAJGJPDSO-UHFFFAOYSA-N
-rxn:5:190740:225980:225833,CCOC(=O)c1cnc2c(C)cc(-c3cc(N4CCOCC4)ncc3F)cc2c1-c1ccnc(N2CCCCC2)c1F,CLONNCFOLDRILD-UHFFFAOYSA-N
-rxn:5:190741:225655:225976,CCOC(=O)c1cnc2c(-c3cncc(N4CCC(C)CC4)c3)cc(C)cc2c1-c1ccnc(N2CCOCC2)c1F,HMDRAKANBVBNPV-UHFFFAOYSA-N
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-rxn:5:190742:223061:223065,CCOC(=O)c1cnc2c(C)ccc(-c3cc(C4CCNCC4)ncc3F)c2c1-c1ccc(N2CCNCC2)cc1F,GJGAPXPPZQQKQI-UHFFFAOYSA-N
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-rxn:5:193756:225605:226843,Cc1cnc(OC2CCCC2)c(-c2ccc(C(=O)N3CCCCC3C)c(-c3ccc(C(=O)C(F)(F)F)nc3)c2)c1,NNWLLMIVCNLTHJ-UHFFFAOYSA-N
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-rxn:5:193756:225806:225636,CC1CCN(c2cc(-c3cc(-c4cnc(OC5CCCC5)cc4F)ccc3C(=O)N3CCCCC3C)ccn2)CC1,FKTBGCQIFFBSTC-UHFFFAOYSA-N
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-rxn:5:193756:226324:226366,CC1CCCCN1C(=O)c1ccc(-c2cccnc2OC2CCCC2)cc1-c1ccnc(N2CCCCC2)c1,KHHIZHBEQWNGPB-UHFFFAOYSA-N
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-rxn:5:193756:226587:225653,CC1CCCCN1C(=O)c1ccc(-c2cnc(OC3CCC3)cc2F)cc1-c1ccc(N2CCCCC2C)nc1,YRRYPENKQNUMLS-UHFFFAOYSA-N
-rxn:5:193756:226664:227512,COC(=O)c1cc(-c2cc(-c3cc(N4CCCC4)ncc3F)ccc2C(=O)N2CCCCC2C)c(C)cn1,DGHDNQCHBDYOEK-UHFFFAOYSA-N
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-rxn:5:193756:227377:226679,CC1CCCCN1C(=O)c1ccc(-c2cncnc2C2CCCC2)cc1-c1cnc(N2CCCC2)cc1F,SIQDKDQXCCNMAE-UHFFFAOYSA-N
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-rxn:5:193756:227519:226338,COC(=O)c1cc(C)c(-c2ccc(C(=O)N3CCCCC3C)c(-c3ccnc(OC4CCCC4)c3)c2)cn1,QIYSXKRRWFSBAY-UHFFFAOYSA-N
-rxn:5:193756:227701:225605,COC(=O)c1cc(-c2ccc(C(=O)N3CCCCC3C)c(-c3cc(C)cnc3OC3CCCC3)c2)c(F)cn1,GDXSFMWQNVRUOL-UHFFFAOYSA-N
-rxn:5:193756:228236:225938,CC1CCCCN1C(=O)c1ccc(-c2ccnc(F)c2C2CC2)cc1-c1cc(C(F)(F)F)ncc1C1CC1,OOQKKEUGOIKXIY-UHFFFAOYSA-N
-rxn:5:193808:226661:226661,CC1CCN(Cc2cc(-c3cc(N4CCN(C)CC4)cs3)ccc2-c2cc(N3CCN(C)CC3)cs2)CC1,OONWPGKLZVQKAL-UHFFFAOYSA-N
-rxn:5:193809:226035:227345,COc1ccc(C(F)(F)F)c(F)c1-c1ccc(CN2CCC(C)CC2)c(-c2ccc(OC(C)C)cc2F)c1,SXOXBMIOQNNDJM-UHFFFAOYSA-N
-rxn:5:193866:222981:225637,CN1CCN(c2ccccc2-c2cc(C3(N4CCC(=O)CC4)CC3)ccc2-c2ccnc(NC3CCCCC3)c2)CC1,GXPJZQSQVRWSHS-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
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-rxn:5:193932:226598:226920,Cc1ccc(C(C)(C)C)cc1-c1ccc(C(=O)N2CC(C)CC(C)C2)cc1-c1cc(OC(C)C)c(F)cc1F,CMKLDAPWOMJGEB-UHFFFAOYSA-N
-rxn:5:193932:226752:223287,CNS(=O)(=O)c1ccc(-c2ccc(C(=O)N3CC(C)CC(C)C3)cc2-c2cccc(C(F)(F)F)c2OC)cc1,SZCMOJPKJCTMJQ-UHFFFAOYSA-N
-rxn:5:194058:222405:225607,CC(c1ccc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2cccc(C3NC(=O)NC3=O)c2)s1)N1CCCCC1,YEYVJQYOKASKHP-UHFFFAOYSA-M
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-rxn:5:194561:226862:226665,O=C(c1cc(-c2cccc(OC(F)(F)F)c2F)ccc1-c1cnc(C2CCCOC2)nc1)N1C2CCC1COC2,WGGKJNZJXLPFTR-UHFFFAOYSA-N
-rxn:5:194561:226901:227288,CN(C)C(=O)c1ccccc1-c1ccc(-c2cccc(S(F)(F)(F)(F)F)c2)cc1C(=O)N1C2CCC1COC2,USBIZYOIPZHBDT-UHFFFAOYSA-N
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-rxn:5:194767:223061:225980,O=C1OC2(CCCN(C(=O)c3cc(-c4cc(C5CCNCC5)ncc4F)ccc3-c3cc(N4CCOCC4)ncc3F)C2)c2ccccc21,QTTZXNSDKGBAAP-UHFFFAOYSA-N
-rxn:5:194767:227390:222414,Cc1ccc(S(N)(=O)=O)c(-c2ccc(-c3ccnn3C3CCCCC3)cc2C(=O)N2CCCC3(C2)OC(=O)c2ccccc23)c1,JMIXWWIWJJZESF-UHFFFAOYSA-N
-rxn:5:194767:228379:227625,N#Cc1cc(F)c(F)cc1-c1ccc(-c2cnc(C3CCCO3)nc2)c(C(=O)N2CCCC3(C2)OC(=O)c2ccccc23)c1,CYJRGDMYVRDFPI-UHFFFAOYSA-N
-rxn:5:194782:226130:227437,O=C1CC2(CCN(C(=O)c3cc(-c4ccc(CN5CCCC5)cc4)ccc3-c3ccnc(C4CCCO4)c3)CC2)Oc2ccccc21,UOZZOSFDJAUPEP-UHFFFAOYSA-N
-rxn:5:194791:222409:223364,COc1ccc(-c2ccccc2N2C(=O)C3C(c4ccc(-c5cnc6[nH]cc(F)c6c5)cc4)OC4(C(=O)c5ccccc5C4=O)C3C2=O)cc1S(N)(=O)=O,ULMHUFNZIRBSIJ-UHFFFAOYSA-N
-rxn:5:194791:226082:226449,COc1ccc2ccc(-c3ccccc3N3C(=O)C4C(c5ccc(-c6ccccc6C6(C)OCCO6)cc5)OC5(C(=O)c6ccccc6C5=O)C4C3=O)cc2c1,QGMXTSVPIHZKPS-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:5:194791:227141:222984,N#Cc1ccc2sc(-c3ccccc3N3C(=O)C4C(c5ccc(-c6ccc(CN7CCC(O)C7)cc6)cc5)OC5(C(=O)c6ccccc6C5=O)C4C3=O)cc2c1,HETHOFBEYKVAFJ-UHFFFAOYSA-N
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-rxn:5:196408:222956:225986,Cc1ccc(-c2cc(-c3ccccc3N3CCCS3(=O)=O)ccc2C2=NOCCO2)c(C2CCCNC2)c1,HVPFDSHSPANKKA-UHFFFAOYSA-N
-rxn:5:196408:222956:225987,Cc1ccc(-c2cc(-c3ccc(N4CCCS4(=O)=O)cc3)ccc2C2=NOCCO2)c(C2CCCNC2)c1,JIGPAAIDIYJXBL-UHFFFAOYSA-N
-rxn:5:196408:226686:223062,Cc1cnn(C2CCCCO2)c1-c1cc(-c2cnc(C3CCNCC3)cc2F)ccc1C1=NOCCO1,DBPIZUGPMJOJBJ-UHFFFAOYSA-N
-rxn:5:196670:225407:225832,Cc1nn(C2CCCCO2)c(C)c1-c1nccc(-c2ccc(C3CCCCCC3)cc2)c1C1CCCC1,JNYZEENIGYHWSN-UHFFFAOYSA-N
-rxn:5:196791:225849:225982,O=C1COCCN1c1cccc(-c2cnc(N3CCCCC3)cc2F)c1-c1cnc(N2CCOCC2)cc1F,BHVIPBUJSIXDTD-UHFFFAOYSA-N
-rxn:5:196791:226664:223061,O=C1COCCN1c1cccc(-c2cc(N3CCCC3)ncc2F)c1-c1cc(C2CCNCC2)ncc1F,AUJNIZVYDSRUTO-UHFFFAOYSA-N
-rxn:5:196793:223183:225986,CNS(=O)(=O)c1ccc(-c2ccc(N3CCOCC3=O)cc2-c2ccccc2N2CCCS2(=O)=O)c(C)c1,AKHYLFVOZAFVKX-UHFFFAOYSA-N
-rxn:5:196794:223061:226583,O=C1COCCN1c1cc(-c2cc(C3CCNCC3)ncc2F)ccc1-c1ccc(CN2CCOCC2)s1,JLCSJFFCVFBNNZ-UHFFFAOYSA-N
-rxn:5:196858:223139:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(C2CCOCC2)ncc1-c1ccc(C2CCNCC2)nc1,AJFPGGOCWJJNRK-UHFFFAOYSA-N
-rxn:5:196859:225928:223007,Cc1ccc(-c2c(C3CCOCC3)ccnc2-c2cc(F)cc(C3CCNCC3)c2)cc1S(=O)(=O)N(C)C,RYFAJXYFHJKJFL-UHFFFAOYSA-N
-rxn:5:196871:225394:222981,c1cc(-c2ccc(-c3cc(C4CCC4)cc(C4CC4)c3)c(N3CCOCC3)c2)cc(NC2CCCCC2)n1,ZBLRIGIUVBEVJA-UHFFFAOYSA-N
-rxn:5:196871:225832:223135,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2cccnc2C2CCCNC2)cc1N1CCOCC1,QKJIHKAXNJMZRL-UHFFFAOYSA-N
-rxn:5:196917:225452:225584,CC1(C)COC(c2cc(-c3ccc(C(=O)N4CCCC4)cc3)ccc2-c2ccc(OC3C=CCCC3)cc2)=N1,HNZCLRXJCHSLLQ-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:5:196969:225832:226182,Cc1nn(C2CCCCO2)c(C)c1-c1cnc(C2CCCCC2)cc1-c1cccnc1C1CCCCC1,XFWVTBCIWVERIA-UHFFFAOYSA-N
-rxn:5:196970:226686:225472,Cc1cnn(C2CCCCO2)c1-c1c(C2CCCCC2)ccnc1-c1cccc(N2CCCCC2C)c1,ZADREGBMWHQOCP-UHFFFAOYSA-N
-rxn:5:196979:225832:223186,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2cnn(C3CCCCO3)c2)cc(N2CCCCC2)c1,ODERSXAFSRLBPE-UHFFFAOYSA-N
-rxn:5:197526:226437:225436,CC(=O)N1CC(=O)c2c1ccc(-c1cc(C3CCCC3)ncc1F)c2-c1ccc(CN2CCCCC2)cc1,RSMXBMIAWOHNDA-UHFFFAOYSA-N
-rxn:5:197876:223008:227978,CC(C)c1ccc(F)c(-c2cc3c(cc2-c2cc(C4CCNCC4)ccc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,CKCIPKGPBIXIOI-UHFFFAOYSA-N
-rxn:5:197876:223358:226768,CSc1ccc(-c2cc3c(cc2-c2ccc(NC(C)=O)cc2)S(=O)(=O)N(C(C)(C)C)C3=O)cc1C(F)(F)F,GXEYEIHZCKYRKV-UHFFFAOYSA-N
-rxn:5:197876:225407:228429,CSc1ccc(F)c(-c2cc3c(cc2-c2ccc(C4CCCCCC4)cc2)S(=O)(=O)N(C(C)(C)C)C3=O)c1F,SNQJGSRYCLSTMY-UHFFFAOYSA-N
-rxn:5:197876:225438:228802,CC(c1ccc(-c2cc3c(cc2-c2ccccc2C(F)F)C(=O)N(C(C)(C)C)S3(=O)=O)cc1)N1CCCC1,ZILMLFNJJRJENE-UHFFFAOYSA-N
-rxn:5:197876:225499:227833,CCc1cc(C)cc(C)c1-c1cc2c(cc1-c1ccc(C3CCCCC3)cc1F)S(=O)(=O)N(C(C)(C)C)C2=O,ZBXHQKBHXCGKLP-UHFFFAOYSA-N
-rxn:5:197876:225499:227860,CN1CCc2cc(-c3cc4c(cc3-c3ccc(C5CCCCC5)cc3F)S(=O)(=O)N(C(C)(C)C)C4=O)ccc21,MGEWVWOTHRSILU-UHFFFAOYSA-N
-rxn:5:197876:225499:228923,CSc1ccnc(F)c1-c1cc2c(cc1-c1ccc(C3CCCCC3)cc1F)S(=O)(=O)N(C(C)(C)C)C2=O,KPVOUZZLNGVSQO-UHFFFAOYSA-N
-rxn:5:197876:225601:228756,CSc1ccc(-c2cc3c(cc2-c2ccc(C4(C#N)CCC4)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c(C)n1,HQWLTXOVVRRHGO-UHFFFAOYSA-N
-rxn:5:197876:225602:225581,CC(C)(C)N1C(=O)c2cc(-c3ccc(CN4CCOCC4)cc3)c(-c3cc(C4(C#N)CCC4)ccc3F)cc2S1(=O)=O,DCOLKOSTPSVMDI-UHFFFAOYSA-N
-rxn:5:197876:225677:225417,CCOc1ccc2ccccc2c1-c1cc2c(cc1-c1ccc(C3CCCCC3)nc1F)S(=O)(=O)N(C(C)(C)C)C2=O,AJCKNRCYWYIQBQ-UHFFFAOYSA-N
-rxn:5:197876:225816:226912,Cc1cc(CC(C)C)cc(-c2cc3c(cc2-c2cc(C4CC4)ccc2C(F)(F)F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,CKQCWCGBBFOCMK-UHFFFAOYSA-N
-rxn:5:197876:225816:227077,CCC(C)c1ccc(-c2cc3c(cc2-c2cc(C4CC4)ccc2C(F)(F)F)S(=O)(=O)N(C(C)(C)C)C3=O)c(F)c1,QCXQRYKUZKNKTC-UHFFFAOYSA-N
-rxn:5:197876:225816:227813,CCc1cccc(CC)c1-c1cc2c(cc1-c1cc(C3CC3)ccc1C(F)(F)F)S(=O)(=O)N(C(C)(C)C)C2=O,SYMYCXUDJQRGJT-UHFFFAOYSA-N
-rxn:5:197876:225816:227950,Cc1ccc(N(C)C)cc1-c1cc2c(cc1-c1cc(C3CC3)ccc1C(F)(F)F)S(=O)(=O)N(C(C)(C)C)C2=O,OFOZGFIBLHMGGF-UHFFFAOYSA-N
-rxn:5:197876:225819:227940,CCc1cc(SC)cc(-c2cc3c(cc2-c2cc(C(F)(F)F)ccc2C2CC2)S(=O)(=O)N(C(C)(C)C)C3=O)c1,BVFWHWYPHOHZKE-UHFFFAOYSA-N
-rxn:5:197876:225936:227918,CC(C)c1ncc(C(F)(F)F)cc1-c1cc2c(cc1-c1ccc(SC3CC3)cc1)C(=O)N(C(C)(C)C)S2(=O)=O,GXQUFPNEMMQFMQ-UHFFFAOYSA-N
-rxn:5:197876:225936:228478,CC(C)c1ncc(C(F)(F)F)cc1-c1cc2c(cc1-c1cncc(C(F)(F)F)c1)C(=O)N(C(C)(C)C)S2(=O)=O,RSRNPFPJVSDHHI-UHFFFAOYSA-N
-rxn:5:197876:225946:228261,CSc1ccc(F)c(C)c1-c1cc2c(cc1-c1cc(C(C)=O)cc(C(F)(F)F)c1)S(=O)(=O)N(C(C)(C)C)C2=O,PZHTUKXRVRHVCN-UHFFFAOYSA-N
-rxn:5:197876:225946:228975,CC(=O)c1cc(-c2cc3c(cc2-c2cnn(C(F)(F)F)c2)C(=O)N(C(C)(C)C)S3(=O)=O)cc(C(F)(F)F)c1,WRFBRQXPOQMPEO-UHFFFAOYSA-N
-rxn:5:197876:226028:227810,CCC(C)c1ccc(-c2cc3c(cc2-c2ccc(C(F)(F)F)c(C#N)c2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1,WDMFWFFRBRSGAX-UHFFFAOYSA-N
-rxn:5:197876:226031:227100,Cc1cc(C2CC2)cc(F)c1-c1cc2c(cc1-c1ccc(C(F)(F)F)cc1C(F)F)S(=O)(=O)N(C(C)(C)C)C2=O,NGRBHRGEPLKMPX-UHFFFAOYSA-N
-rxn:5:197876:226031:228630,CCc1cc(F)cc(-c2cc3c(cc2-c2ccc(C(F)(F)F)cc2C(F)F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,YPNZGEIJOYPJLW-UHFFFAOYSA-N
-rxn:5:197876:226031:228696,COCc1ccc(-c2cc3c(cc2-c2ccc(C(F)(F)F)cc2C(F)F)S(=O)(=O)N(C(C)(C)C)C3=O)cn1,KQABNWSWNLPWJA-UHFFFAOYSA-N
-rxn:5:197876:226031:229084,CC(C)c1ncsc1-c1cc2c(cc1-c1ccc(C(F)(F)F)cc1C(F)F)S(=O)(=O)N(C(C)(C)C)C2=O,XYSZSTMLTONIBR-UHFFFAOYSA-N
-rxn:5:197876:226032:227702,COC(=O)c1cnc(F)c(-c2cc3c(cc2-c2cc(OC)cc(C(F)(F)F)c2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,WOEVMGDQZSUAAY-UHFFFAOYSA-N
-rxn:5:197876:226058:226920,Cc1ccc(C(C)(C)C)cc1-c1cc2c(cc1-c1c(C(C)C)cccc1C(C)C)S(=O)(=O)N(C(C)(C)C)C2=O,NNTRQDMVOISAOP-UHFFFAOYSA-N
-rxn:5:197876:226058:227811,CC(C)Cc1ccc(-c2cc3c(cc2-c2c(C(C)C)cccc2C(C)C)S(=O)(=O)N(C(C)(C)C)C3=O)cc1,ZRHUVQAUWKVNTQ-UHFFFAOYSA-N
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-rxn:4:183273:229280,Fc1ncc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cn1,FSCOVZCQLIDRPW-UHFFFAOYSA-N
-rxn:4:183274:223247,Cc1n[nH]c2cc(F)c(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCOCCO4)cc12,LUJZZVDGUBGIDV-UHFFFAOYSA-N
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-rxn:4:183743:223688,CCCCOc1cc(-c2cc(S(=O)(=O)N3CCN(CC)CC3)ccc2OC)ccc1C(=O)N1CCC1,OENVPISOZMGTLM-UHFFFAOYSA-N
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-rxn:4:184054:228437,CC(C)CS(=O)(=O)C1CCN(C(=O)Cc2ccc(-c3ccc(C(F)F)cc3F)cc2)CC1,LOJSQDHTUIPTNT-UHFFFAOYSA-N
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-rxn:4:184093:226889,CC(C)c1ccc(CN(C(=O)c2ccc(-c3cc(Cl)cc(C(F)(F)F)c3F)cc2)C2CCS(=O)(=O)C2)cc1,DTCZUYCZQSIKGO-UHFFFAOYSA-N
-rxn:4:184099:223643,Cc1ccc(S(=O)(=O)n2c(-c3ccc(C(C)N(C(=O)OC(C)(C)C)C4CCC(C)(C)CC4)cc3)cc3ccccc32)cc1,ZUYCCEHQANZFHY-UHFFFAOYSA-N
-rxn:4:184111:224249,CC1CCCN(C(=O)c2ccc(F)c(-c3ccc4oc(=O)c(C(=O)OCC(=O)c5ccc([N+](=O)[O-])cc5)cc4c3)c2)C1,UMOBEDZLTMPKFC-UHFFFAOYSA-N
-rxn:4:184131:224863,COC(=O)c1cc2ccc(-c3ccccc3CN(C(C)C)C(C)C)cc2n1CC(=O)OC(C)(C)C,XECMEAWJQKGEGI-UHFFFAOYSA-N
-rxn:4:184176:224411,COc1cc(C(=O)c2nccc3cc(OC)c(OC)cc23)c(-c2ccc(S(=O)(=O)N(C)C)cc2C(F)(F)F)cc1OC,LWPBFGPPEQGBQO-UHFFFAOYSA-N
-rxn:4:184207:222809,CC(=O)c1c(C)oc2ccc(N(C(=O)c3ccccc3Cl)S(=O)(=O)c3ccc(-c4cc(Cl)ncc4NC(=O)OC(C)(C)C)cc3)cc12,IPDCAVPSQSHUEX-UHFFFAOYSA-N
-rxn:4:184207:224370,CC(=O)c1c(C)oc2ccc(N(C(=O)c3ccccc3Cl)S(=O)(=O)c3ccc(-c4cc(C(F)(F)F)ccc4C(=O)OC(C)C)cc3)cc12,KDRMKOHGGUOSTH-UHFFFAOYSA-N
-rxn:4:184222:227079,CC(C)Cc1ccc(F)c(-c2ccc(CN(C(=O)OC(C)(C)C)C3CCCCC3)c3ccccc23)c1,WJJMQZRMTRANBU-UHFFFAOYSA-N
-rxn:4:184399:224082,CCC(C(=O)OC(C)(C)C)c1cccc(-c2cc(C#N)c(CC(=O)OC)cc2C(F)F)c1,ZIYLYSIHRJBVCF-UHFFFAOYSA-N
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-rxn:4:184932:224485,CC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2ccc(CN(C)C(=O)OC(C)(C)C)cc2)c1,DHLCNXMZKOVQOR-UHFFFAOYSA-N
-rxn:4:184950:224727,CCN(C(=O)OC(C)(C)C)c1ccc(-c2cc(OC(C)(C)C)nc(C(=O)OC)c2)c(F)c1,FBUGIDPQVYGOGB-UHFFFAOYSA-N
-rxn:4:184980:223918,CN(C(=O)c1ccc(F)c(-c2cccc(C(=O)OCCN3CCCCC3)c2)c1)C1CCCCC1,VVJJDTKIPVQEHC-UHFFFAOYSA-N
-rxn:4:185004:222444,COc1ccc(F)cc1C(=O)NCc1ccc(-c2cc(C(F)(F)F)ccc2OCC(=O)N2CCCCC2)cc1,MUZKBURPEREGTL-UHFFFAOYSA-N
-rxn:4:185027:224188,CC(C)N(C(=O)c1ccc(-c2cccc(SC3CN(C(=O)OC(C)(C)C)C3)c2)c(Cl)c1)C(C)C,PTQJJQHEZCQIPJ-UHFFFAOYSA-N
-rxn:4:185055:223928,CC(C)(C)OC(=O)N1CCc2ncc(-c3cccc(F)c3OCCCN3CCCC(F)(F)C3)cc2C1,HOKZGQRANCOSKO-UHFFFAOYSA-N
-rxn:4:185057:222798,Cc1cc(S(=O)(=O)NC(C)(C)C)ccc1-c1cc(C(F)(F)F)ccc1C(=O)N(C(C)C)C(C)C,HMELHXFFJFQVRK-UHFFFAOYSA-N
-rxn:4:185102:225382,CC(C)CN(C(=O)c1ccc(-c2cc(C(F)(F)F)ccc2C(F)(F)F)o1)C1CCS(=O)(=O)C1,QQJIGPAQGDWEKD-UHFFFAOYSA-N
-rxn:4:185102:226776,COC(=O)c1cc(-c2ccc(C(=O)N(CC(C)C)C3CCS(=O)(=O)C3)o2)cc(Cl)c1F,DJKRZDGAHLNKPY-UHFFFAOYSA-N
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-rxn:4:185138:225896,COCCOc1cc(-c2ccc(F)c(CCN3CCC(C(=O)OC)CC3)c2)c(F)cc1F,HBPIGSACAJOKKC-UHFFFAOYSA-N
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-rxn:4:185165:223589,Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1ccc(C(F)(F)F)c(C2CN(C(=O)OC(C)(C)C)C2)c1,ZHNAOZVWIOUGGR-UHFFFAOYSA-N
-rxn:4:185189:224101,CC1CCN(CCCOc2ccc(-c3cccc(OCCN4CCC(C)CC4)c3)cc2Cl)CC1,JEGAWNLKIIVDBE-UHFFFAOYSA-N
-rxn:4:185197:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3ccc(C)c(OC4CN(C(=O)OC(C)(C)C)C4)c3)cc21,FLEOCSLFRRRQLG-UHFFFAOYSA-N
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-rxn:4:200899:223695,COc1cc(S(=O)(=O)N2CCN(c3cc(C)cc(C)c3)CC2)c(OC)cc1-c1cccc(S(=O)(=O)N2CCC3(CC2)OCCO3)c1,ILVQBSCHAHMHCJ-UHFFFAOYSA-N
-rxn:4:201012:222829,CNS(=O)(=O)c1ccc(-c2ccc3c(C(C)(C)C#N)cn(C(=O)OC(C)(C)C)c3c2)c(C(F)(F)F)c1,FYLUEKSRBPTGSP-UHFFFAOYSA-N
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-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:4:201426:222546,O=[N+]([O-])c1cc(-c2ccc(OCCNC3CCCCC3)c(F)c2)cnc1OCC1CCC1,IOEOWZJTZVRZRK-UHFFFAOYSA-N
-rxn:4:201455:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3csc(OCCN4CCOCC4)n3)c2Cl)CC1,XQAKQFACZWSLTP-UHFFFAOYSA-N
-rxn:4:201459:223598,CCN(CC)c1ncc(C(F)(F)F)cc1-c1ccc(OCCN2CCC3(CC2)OCCO3)c(F)c1,MQYUEGPNOVEHED-UHFFFAOYSA-N
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-rxn:4:202069:225938,CC(C)(C)S(=O)(=O)C1CCN(C(=O)c2cncc(-c3cc(C(F)(F)F)ncc3C3CC3)c2)C1,BIMUMUOIPIPWMN-UHFFFAOYSA-N
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-rxn:4:202290:226661,COC1CCN(C2CCN(S(=O)(=O)c3ccc(-c4cc(N5CCN(C)CC5)cs4)cc3)CC2)C1,DUHQULLXLZNXKQ-UHFFFAOYSA-N
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-rxn:4:202290:228210,COC1CCN(C2CCN(S(=O)(=O)c3ccc(-c4ccc(N5CCCC5)s4)cc3)CC2)C1,MWGKHVKEXYTYIR-UHFFFAOYSA-N
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-rxn:4:202328:222957,COC1CCN(C2CCN(S(=O)(=O)c3ccccc3-c3cc(C)cc(C4CCCNC4)c3)CC2)CC1,ZRWZYTZAVSVGAJ-UHFFFAOYSA-N
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-rxn:4:202328:226921,COC1CCN(C2CCN(S(=O)(=O)c3ccccc3-c3cc(C4CC4)c(C)cc3C)CC2)CC1,MBECRYVWXRWSRO-UHFFFAOYSA-N
-rxn:4:202328:226922,COC1CCN(C2CCN(S(=O)(=O)c3ccccc3-c3c(C)cc(C4CC4)cc3C)CC2)CC1,MRJLVISVHQHATF-UHFFFAOYSA-N
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-rxn:4:202328:226925,COC1CCN(C2CCN(S(=O)(=O)c3ccccc3-c3cc(C4CC4)cc(C)c3C)CC2)CC1,RLSMXSZYIZNONV-UHFFFAOYSA-N
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-rxn:4:202328:227166,COC1CCN(C2CCN(S(=O)(=O)c3ccccc3-c3ccc4c(c3)OCCN4C)CC2)CC1,ZJPQGSARCWFLLD-UHFFFAOYSA-N
-rxn:4:202328:227827,COC1CCN(C2CCN(S(=O)(=O)c3ccccc3-c3cc(C4CC4)ccc3C)CC2)CC1,IJLTUPXPCZBTHN-UHFFFAOYSA-N
-rxn:4:202328:227828,COC1CCN(C2CCN(S(=O)(=O)c3ccccc3-c3cccc(C4CC4)c3C)CC2)CC1,PTVPVVUIGCVXHV-UHFFFAOYSA-N
-rxn:4:202328:227832,COC1CCN(C2CCN(S(=O)(=O)c3ccccc3-c3ccc(C4CC4)cc3C)CC2)CC1,XMKUXPKYPBWGFB-UHFFFAOYSA-N
-rxn:4:202328:227858,COC1CCN(C2CCN(S(=O)(=O)c3ccccc3-c3cccc4c3CN(C)C4)CC2)CC1,PHCCPBHGPWFYDD-UHFFFAOYSA-N
-rxn:4:202328:228210,COC1CCN(C2CCN(S(=O)(=O)c3ccccc3-c3ccc(N4CCCC4)s3)CC2)CC1,RBEFYNNVHQIUPU-UHFFFAOYSA-N
-rxn:4:202328:228709,COC1CCN(C2CCN(S(=O)(=O)c3ccccc3-c3cc(C)nc(C#N)c3)CC2)CC1,KDPNVSNLVCAVNF-UHFFFAOYSA-N
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-rxn:4:202437:223659,COCCn1c(=NC(C)=O)sc2cc(-c3cnn(CC4CCN(C(=O)OC(C)(C)C)CC4)c3)ccc21,FSZXRKYWYAENLD-UHFFFAOYSA-N
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-rxn:4:202807:224089,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2ccc(OCCN3CCC(C)CC3)cc2)cc1,DKBIKDSKPYNMGN-UHFFFAOYSA-N
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-rxn:4:203672:224258,CC1CCCCN1C(=O)c1ccc(-c2cncc(C(=O)N3CCCC(CF)C3)c2)c(Cl)c1,WUIAUPZKEFLKAO-UHFFFAOYSA-N
-rxn:4:203724:222684,O=S(=O)(NN1CCCCC1)c1ccc(-c2ccc(OCCN3CCNCC3)c(Cl)c2)cc1,URYVAVVLLQDCIR-UHFFFAOYSA-N
-rxn:4:203731:222432,O=C(c1ccc(-c2ccc(S(=O)(=O)NC3CCCCC3)c3ccccc23)o1)N1CC(N2CCCC2)C1,QMEBVCMQUXRPGG-UHFFFAOYSA-N
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-rxn:4:207779:222630,O=S(=O)(c1ccc(-c2cc(C3CCC3)nc(C3CCNCC3)c2)cc1)N1CCN2CCC1CC2,DVWHCXMBSNAJJP-UHFFFAOYSA-N
-rxn:4:211068:224719,CC(C)c1nn(C(=O)OC(C)(C)C)cc1-c1ccc2c(c1)N1CCCC1=C(C#N)S2(=O)=O,ZWYYTNBNKXAIAS-UHFFFAOYSA-N
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-rxn:4:212593:223637,CN(C(=O)c1ccc(-c2ccccc2C2CCCN(C(=O)OC(C)(C)C)C2)nc1)C1CN(C(=O)OC(C)(C)C)C1,TYFXPPSKXFFLNK-UHFFFAOYSA-N
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-rxn:4:212648:226773,COC(=O)c1c(Cl)ccc(-c2cn(C)nc2OCC2CCN(C(=O)OC(C)(C)C)CC2)c1F,VWKUZTGSFMBFMZ-UHFFFAOYSA-N
-rxn:4:212658:223025,CCCNC(=O)c1cc(-c2cnc(C(=O)OC)c(N3CCN(C(=O)OC(C)(C)C)CC3)c2)ccc1Cl,ULHIUBGMLPHKOC-UHFFFAOYSA-N
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-rxn:4:212691:223685,CN(C(=O)c1ccc(-c2ccc(OC(F)(F)F)c(OCc3cccnc3)c2)nc1)C1CCN(C(=O)OC(C)(C)C)CC1,XOIFUQXUTJBNKU-UHFFFAOYSA-N
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-rxn:4:212729:222702,COc1ccc(-c2noc(C3CCCN(S(=O)(=O)c4ccc(-c5cc(C6CCCNC6)ccc5C(F)(F)F)cc4)C3)n2)cc1OC,HENBKPLMPABKQO-UHFFFAOYSA-N
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-rxn:4:212774:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3ccccc3C(=O)N(CCN(C)C)c3nc4c(Cl)cccc4s3)c2)CC1,GPSJYNRRBNDUNQ-UHFFFAOYSA-N
-rxn:4:212814:225396,Cc1ccccc1-c1ccc(-c2c3c(nn2C(=O)OC(C)(C)C)C(C)(C)N(C(=O)OC(C)(C)C)C3)cc1,SHRKPHZYSRXHJI-UHFFFAOYSA-N
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-rxn:4:212931:223787,COc1cncc(OC2CCN(C(=O)c3ccc(-c4ccc(OCCCN5CCN(C)CC5)c(F)c4)o3)C2)n1,IMAHWCLHHLKZSN-UHFFFAOYSA-N
-rxn:4:212938:223581,CCC(=O)N1CCCC(COc2ncc(-c3cc4cccc(C(=O)OC)c4n3C(=O)OC(C)(C)C)cn2)C1,IKGDVLYXHKDOPL-UHFFFAOYSA-N
-rxn:4:212970:225294,CCN1CCN(c2ncc(-c3cnc(OC4CN(C(=O)OC(C)(C)C)C4)nc3C)cn2)CC1,QPWYVOLQFOZVAA-UHFFFAOYSA-N
-rxn:4:213010:223646,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3cnn(C[C@@H]4CN(C(=O)OC(C)(C)C)CCO4)c3)cc2)C1,FKQRWOBPXGHPCU-CGAIIQECSA-N
-rxn:4:213010:223904,CC(C)(C)OC(=O)N1CC(c2cccc(-c3cnn(C[C@@H]4CN(C(=O)OC(C)(C)C)CCO4)c3)c2)C1,AHQRKGJISNOZSC-QHCPKHFHSA-N
-rxn:4:213065:225361,O=C(c1ccc(C(F)(F)F)cc1)N1CCCC(Oc2ncc(-c3cn(C4CCCC4)nc3C(F)(F)F)cn2)C1,CPJWKIJLQIKLRP-UHFFFAOYSA-N
-rxn:4:213080:222791,CC(C)(C)OC(=O)Nc1ccc(Cl)c(-c2cncc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)c1,QFDKWLDYYUFJDG-UHFFFAOYSA-N
-rxn:4:213080:223106,CC(C)(C)OC(=O)N1CCN(C(=O)c2cncc(-c3cnc(N4CCC(O)C4)nc3Cl)c2)CC1,HTHFDJQHALVDKK-UHFFFAOYSA-N
-rxn:4:213100:227658,CN(C)c1cc(Cl)c(-c2cn(C3CCN(C(=O)OC(C)(C)C)CC3)nc2C(F)(F)F)cc1F,XPJLNFXPXWVOHE-UHFFFAOYSA-N
-rxn:4:213127:223934,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3cc4ccc(F)cc4n3C(=O)OC(C)(C)C)ccn2)CC1,SLKBOUVIUJCXSJ-UHFFFAOYSA-N
-rxn:4:213130:224193,CCN1CCN(Cc2cc(-c3cncc(CN4CCN(C(=O)OC(C)(C)C)CC4)c3)ccc2F)CC1,QMDWYEQQLWIJPX-UHFFFAOYSA-N
-rxn:4:213150:223527,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)ccc2-c2ccc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)nc2)CC1,NFDKSEDYNOMUKK-UHFFFAOYSA-N
-rxn:4:213150:224397,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCC(=O)CC4)cc3)cn2)CC1,PNQOQPLPBVOPDX-UHFFFAOYSA-N
-rxn:4:213162:222776,COc1ccc(S(=O)(=O)N2CCC(Oc3ncc(-c4ccc(CN5CCC(O)CC5)cc4F)cn3)CC2)cc1F,NCZPMNXZBIIARB-UHFFFAOYSA-N
-rxn:4:213203:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3ccc(S(=O)(=O)N4CCC(COc5ccc(C)nn5)CC4)cc3)c2)CC1,QVZIISARVHNXCN-UHFFFAOYSA-N
-rxn:4:213225:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2ccc(-c3cnc([C@@H]4CCCN4C(=O)OC(C)(C)C)[nH]3)cc2)cc1,IYLPTKYRWFCUAC-DEOSSOPVSA-N
-rxn:4:213228:223536,CC1CN(S(=O)(=O)c2cncc(-c3cc(F)c(F)c(N4CCN(C(=O)OC(C)(C)C)CC4)c3)c2)CCN1C(=O)OC(C)(C)C,BRLMVAUBCWVBOZ-UHFFFAOYSA-N
-rxn:4:213242:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3ccc(C4=NN(S(=O)(=O)c5ccccc5)C(c5cccc([N+](=O)[O-])c5)C4)cc3)c2)CC1,ZINHUKNAVRAZTQ-UHFFFAOYSA-N
-rxn:4:213273:222945,CC(C)NS(=O)(=O)c1ccc(-c2cnccc2OC2CCN(C(=O)c3ccc(N4CCOCC4)cc3)C2)cc1F,BOJYMADPQAVBRI-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:4:213289:225560,CC(C)(C)OC(=O)N1CCC(c2nc(C(C)(C)C)ncc2-c2cccc(COC3CCOC3)c2)CC1,DMHHCWZXIXKJGF-UHFFFAOYSA-N
-rxn:4:213289:228468,Cc1c(-c2cnc(C(C)(C)C)nc2C2CCN(C(=O)OC(C)(C)C)CC2)cncc1[N+](=O)[O-],JZGISCHLUSKQBK-UHFFFAOYSA-N
-rxn:4:213378:223572,CC1CCN(S(=O)(=O)c2ccc(-c3cnc(OC4CCCN(C(=O)Cc5cccc6ccccc56)C4)nc3)c3ccccc23)CC1,KCOHAZZBQVTHRB-UHFFFAOYSA-N
-rxn:4:213388:226560,CCOc1cc(F)c(-c2ccnc3c2ccn3CC2CCN(C(=O)OC(C)(C)C)CC2)cc1OC,GHECQQFZSVSUTK-UHFFFAOYSA-N
-rxn:4:213660:223885,CCOC(=O)N1CCN(c2ccc(-c3ccc4c(c3)CN(C(=O)OC(C)(C)C)CC4)cn2)CC1,CMBAXHGBEMRLHG-UHFFFAOYSA-N
-rxn:4:213661:222546,CCOC(=O)C1CCN(c2ncc(-c3ccc(OCCNC4CCCCC4)c(F)c3)cn2)CC1,RYEFMEOTYXXHPV-UHFFFAOYSA-N
-rxn:4:213661:222584,CCOC(=O)C1CCN(c2ncc(-c3ccc(OCCCN4CCNCC4)c(F)c3)cn2)CC1,DSMNRBBIBYQFAJ-UHFFFAOYSA-N
-rxn:4:213664:222634,CCC(=O)N1CCC(Oc2ncc(-c3ccc(OCCNC4CCCC4)c(F)c3)cn2)CC1,WNMMAJKZGJTDLZ-UHFFFAOYSA-N
-rxn:4:213720:223577,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3ccnn3C3CCN(C(=O)OC(C)(C)C)C3)cc2)CC1,KBSLWWQXUIVVJT-UHFFFAOYSA-N
-rxn:4:213777:222612,CCOC(=O)c1nc(N2CCN(C)CC2)ccc1-c1cc(S(=O)(=O)N2CCC(O)CC2)ccc1F,LZDFEOFTNGQMBQ-UHFFFAOYSA-N
-rxn:4:213793:224280,Cc1c(S(=O)(=O)c2ccc(-c3cc4c(s3)CCN(C(=O)OC(C)(C)C)C4)cc2)nnn1-c1cc(C(F)(F)F)ccc1Cl,ZHYGSSHMKZRULD-UHFFFAOYSA-N
-rxn:4:213799:225979,CC(C)(C)OC(=O)N1CCOC(c2cc(-c3cnc(N4CCOCC4)c(Cl)c3)ncn2)C1,DXXPMYQBUBUABP-UHFFFAOYSA-N
-rxn:4:213805:224270,CC(C)(C)OC(=O)N1CCOC(c2ncc(-c3cn(C(=O)OC(C)(C)C)c4ncccc34)cn2)C1,KHTZXXFLJQNKKU-UHFFFAOYSA-N
-rxn:4:213846:226589,CC(C)c1cnc(C(F)F)cc1-c1cccc(C(=O)N2CCN(S(=O)(=O)N(C)C)CC2)c1,JIUGOTAHJLSULG-UHFFFAOYSA-N
-rxn:4:213849:224196,CCN1CCN(Cc2cc(F)cc(-c3cnc(OC4CCN(C(=O)C5CCCO5)CC4)nc3)c2)CC1,QDOXDZYDFJSLBU-UHFFFAOYSA-N
-rxn:4:213877:225984,CC(C)(C)OC(=O)N1CCN(c2ccnc(-c3cnc(Cl)c(N4CCOCC4)c3)c2)CC1,DAOTWHVDWQIRJL-UHFFFAOYSA-N
-rxn:4:213888:225560,CC(C)(C)OC(=O)N1CCCC(c2cncc(-c3cccc(COC4CCOC4)c3)n2)C1,GSNDDEZKVVGCSK-UHFFFAOYSA-N
-rxn:4:213897:225898,CC(C)(C)OC(=O)N1CCN(c2ccncc2-c2cnn(CCN3CCOCC3)c2)CC1,YLLKBMCXDVGXFU-UHFFFAOYSA-N
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-rxn:4:213928:222584,Cc1nccc(OC2CCCN(C(=O)c3ccccc3-c3ccc(OCCCN4CCNCC4)c(F)c3)C2)n1,VLVGCGKAOHVLIL-UHFFFAOYSA-N
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-rxn:4:213974:223889,CC(C)(C)OC(=O)N1CCCN(c2cccc(-c3cccc4c3CN(C(=O)OC(C)(C)C)CC4)n2)CC1,ONFQXPHKLGDXCG-UHFFFAOYSA-N
-rxn:4:213974:225584,CC(C)(C)OC(=O)N1CCCN(c2cccc(-c3ccc(C(=O)N4CCCC4)cc3)n2)CC1,IKQSRZOFMZGIGS-UHFFFAOYSA-N
-rxn:4:213982:223506,CC1CN(C(=O)OC(C)(C)C)CCC1c1cc(-c2cccc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)ncn1,QZMNRTHILUYQRP-UHFFFAOYSA-N
-rxn:4:213990:223930,Cc1cc2c(cnn2C(=O)OC(C)(C)C)cc1-c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1C,QEMCOQZSTROSHP-UHFFFAOYSA-N
-rxn:4:213990:225899,Cc1cc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2C)n(C(=O)OC(C)(C)C)n1,PMZFIBQHJSJSCB-UHFFFAOYSA-N
-rxn:4:214022:224196,CCN1CCN(Cc2cc(F)cc(-c3cnc(OC4CCCN(C(=O)c5ccc(C)c(C)c5)C4)nc3)c2)CC1,YQDCHVOKZCSZTR-UHFFFAOYSA-N
-rxn:4:214026:227464,CCCCSc1ncc(-c2cc(C(F)(F)F)cnc2N2CCCC(C(=O)N3CCOCC3)C2)cn1,VUWDMSCKPGGEQA-UHFFFAOYSA-N
-rxn:4:214035:222584,O=C(c1ccc(-c2ccc(OCCCN3CCNCC3)c(F)c2)cc1)N1CCC(n2nc(C3CC3)ccc2=O)CC1,MWLAHUNAYQCXQF-UHFFFAOYSA-N
-rxn:4:214036:223520,CC(c1ccc(-c2ccc(C3=NN(S(C)(=O)=O)C(c4ccc(N(C)C)cc4)C3)cc2)cc1)N1CCN(C(=O)OC(C)(C)C)CC1,KUMHVQLXGRUMOA-UHFFFAOYSA-N
-rxn:4:214038:224321,Cc1ccc(S(=O)(=O)N2CCCC(Oc3ncc(-c4cccc(S(=O)(=O)N5CCC(C)CC5)c4)cn3)C2)cc1C,SEZYADCBHHRNFU-UHFFFAOYSA-N
-rxn:4:214180:223776,CC(C)(C)OC(=O)N1CCOc2ccc(-c3ccc4cc(C5CN(C(=O)OC(C)(C)C)C5)nn4c3)cc2C1,WFGGIEXDXABQEP-UHFFFAOYSA-N
-rxn:4:214180:225361,CC(C)(C)OC(=O)N1CC(c2cc3ccc(-c4cn(C5CCCC5)nc4C(F)(F)F)cn3n2)C1,MSIDJBQKLNGPQC-UHFFFAOYSA-N
-rxn:4:214220:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3ccc4[nH]c(C5CCCN5C(=O)OC(C)(C)C)nc4c3)cc21,RAVMMURCFIXOMT-UHFFFAOYSA-N
-rxn:4:214223:223886,CC(C)(C)OC(=O)N1CCc2c(cccc2-c2ccc(C(=O)N3CCC(Cn4cnc5ccccc54)CC3)o2)C1,OVWXMZDVBIDNIZ-UHFFFAOYSA-N
-rxn:4:214291:226875,CC(C)(C)OC(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1c1nc2ccc(-c3cc(F)c(OC(F)F)cc3F)cc2[nH]1,MRCLGSKDOXHKBW-QTCYRWPVSA-N
-rxn:4:214347:224321,CC1CCN(S(=O)(=O)c2cccc(-c3ccc4c(c3)sc(=NC(=O)c3ccc(S(=O)(=O)N5CCCCC5)cc3)n4C)c2)CC1,KPIAJXMKLSQQLL-UHFFFAOYSA-N
-rxn:4:214457:222426,CN(C)CCn1cc(-c2ccc3c(c2)C2(CCN(C(=O)OC(C)(C)C)CC2)C(=O)N3)cn1,VNNVWVOOUMNYMX-UHFFFAOYSA-N
-rxn:4:214477:222725,CCNS(=O)(=O)c1ccc(-c2cn(S(=O)(=O)N(C)C)nc2C(F)(F)F)c(C(F)(F)F)c1,IKNDLTINKPJSJP-UHFFFAOYSA-N
-rxn:4:214696:224376,CN1CCN(S(=O)(=O)c2cccc(-c3cnn(CC4CN(C5CCCC5)C4)c3)c2)CC1,LGHCWBSHMXKRDY-UHFFFAOYSA-N
-rxn:4:214729:224022,c1cc(C23CC4CC(CC(C4)C2)C3)ccc1-c1cncc(N2CCN(CC3CC3)CC2)c1,IDBNBPPUGUXCLD-UHFFFAOYSA-N
-rxn:4:214819:222584,O=C(C1CN(c2ncc(Cl)cc2-c2ccc(OCCCN3CCNCC3)c(F)c2)CCO1)N1CCCC1,SKFQRAQSJVMGRA-UHFFFAOYSA-N
-rxn:4:214830:223155,CCNC(=O)c1cc(Cl)cc(-c2ccc(N3CCOC(C(=O)N4CCSCC4)C3)nc2)c1,IIDJPZGIRRUILU-UHFFFAOYSA-N
-rxn:4:214838:222826,O=C(C1CN(c2ncc(-c3cccc(S(=O)(=O)N4CCNCC4)c3)cc2F)CCO1)N1CCOCC1,OVTUNPWQAQJERT-UHFFFAOYSA-N
-rxn:4:214851:225923,O=C(c1cncc(-c2cnc(OC3CCCC3)nc2Cl)c1)N1CCCN(C2CCC2)CC1,XUCMAXJWYJISSP-UHFFFAOYSA-N
-rxn:4:214852:223977,CC(C)(C)OC(=O)c1ccc(C(F)(F)F)cc1-c1cncc(C(=O)N2CCC(N3CCCC3)CC2)c1,PJBXJHLTGZWTOB-UHFFFAOYSA-N
-rxn:4:214890:227377,O=C(c1cncc(-c2cncnc2C2CCCC2)c1)N1CCCN(C2CCSCC2)CC1,WGUHNDNBFXWSSO-UHFFFAOYSA-N
-rxn:4:215097:223500,CC1CN(C(=O)OC(C)(C)C)Cc2cnc(-c3ccc(F)c(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c3)n21,HYPJPGBFHOECJO-UHFFFAOYSA-N
-rxn:4:215105:223583,COC(=O)c1ccc2c(-c3n[nH]c4c3CN(C(=O)OC(C)(C)C)C4(C)C)cn(C(=O)OC(C)(C)C)c2c1,NSCZVLBIDRZKGQ-UHFFFAOYSA-N
-rxn:4:215131:222518,Cc1nn(C(=O)C(C)N2C(=O)c3ccccc3C2=O)c(C)c1-c1ccc(F)c2sc(NC(=O)OC(C)(C)C)nc12,WTOHNWNMPYCEMW-UHFFFAOYSA-N
-rxn:4:215148:224956,CC(C)(C)OC(=O)N1Cc2cnc(-c3cccc(O[Si](C)(C)C(C)(C)C)c3)n2CC1(C)C,OISYDUDXMDTVKE-UHFFFAOYSA-N
-rxn:4:215198:224672,CCN1CCN(c2ccc(-c3ccc4nc(N5CCOC(C(=O)N6CCOCC6)C5)sc4c3)c(Cl)c2)CC1,GMSCAVGWDPOXOW-UHFFFAOYSA-N
-rxn:4:215787:222546,O=[N+]([O-])c1cnc(N2CCCCC2)c(-c2ccc(OCCNC3CCCCC3)c(F)c2)c1,TWMDTDMDTHCWFH-UHFFFAOYSA-N
-rxn:4:215891:223844,CN1CCN(c2ccc([N+](=O)[O-])c(-c3ccc(S(=O)(=O)N4CCCC4)cc3C(F)(F)F)c2)CC1,CPNNQIKJKQDQOY-UHFFFAOYSA-N
-rxn:4:215896:222700,CN1CCN(c2ccc([N+](=O)[O-])cc2-c2ccc(C(F)(F)F)cc2C2CCCNC2)CC1,GEPGHVHMGFTTOX-UHFFFAOYSA-N
-rxn:4:215989:222923,Cc1ccc(-c2ccc(N3CCC(N4CCN(C)CC4)CC3)cc2)cc1S(=O)(=O)NC1CC1,JSWALTAIZPWVSU-UHFFFAOYSA-N
-rxn:4:216231:224489,C=C1CC2CCC(C1)N2c1nc(SC)ncc1-c1cc(F)ccc1CN(C(C)C)C(C)C,JSEVIGGWLDPECL-UHFFFAOYSA-N
-rxn:4:217907:226661,CN1CCN(c2csc(-c3ccc4c(c3)C3CC(c5ccc(Cl)cc5)=NN3C3(CCN(C)CC3)O4)c2)CC1,YTRYYOPYBAHING-UHFFFAOYSA-N
-rxn:4:218578:223637,CC(C)(C)OC(=O)N1CCC(CC#N)(n2cc(-c3ccccc3C3CCCN(C(=O)OC(C)(C)C)C3)cn2)CC1,FCIVOIXKKYBCED-UHFFFAOYSA-N
-rxn:4:218589:223810,Cc1cc(-c2cnc(OCC3CCCN(S(=O)(=O)c4ccc(C#N)cc4)C3)nc2)cc(C)c1S(=O)(=O)N1CCC(C)CC1,LFOSBRVYECNVPN-UHFFFAOYSA-N
-rxn:4:218600:227528,COC(=O)c1ccc(-c2cnn(CCN3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1F,BNDBRTGWAVXTIL-UHFFFAOYSA-N
-rxn:4:218600:227740,Cc1cc(-c2cnn(CCN3CCN(C(=O)OC(C)(C)C)CC3)c2)cc(C(F)(F)F)n1,BNWWHIHIDMUGOJ-UHFFFAOYSA-N
-rxn:4:218652:222792,CN(CC1CCN(C(=O)OC(C)(C)C)CC1)c1cnc(-c2cc(NC(=O)OC(C)(C)C)ccc2F)cn1,PSLKBKOCKBYLNS-UHFFFAOYSA-N
-rxn:4:218655:225984,COc1cc(=O)n(C)cc1C(=O)N1CCC(COc2ncc(-c3cnc(Cl)c(N4CCOCC4)c3)cn2)CC1,XNEMPHDVTYEESH-UHFFFAOYSA-N
-rxn:4:218656:225984,COc1cc(=O)n(C)cc1C(=O)N1CCCC(COc2ncc(-c3cnc(Cl)c(N4CCOCC4)c3)cn2)C1,YLJZFRGWYNHYRU-UHFFFAOYSA-N
-rxn:4:218711:224161,CC(C)(C)OC(=O)N1CCN(C2CCN(c3ccc([N+](=O)[O-])cc3-c3ccc4c(c3)CN(C(=O)OC(C)(C)C)C4)CC2)CC1,QQAQUECCJPWOIG-UHFFFAOYSA-N
-rxn:4:218768:226447,COc1ccc(CCC(=O)N2Cc3cnc(N4CCOCC4)nc3C2)cc1-c1ccnc(C2CCOCC2)c1,UYGRQKUGBVXIAJ-UHFFFAOYSA-N
-rxn:4:218777:224320,Cc1ccc(S(=O)(=O)N2CCCCC2)cc1-c1c(C)nn(C(C)CC(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)c1C,AMEAJFHHEXPGCB-UHFFFAOYSA-N
-rxn:4:218778:223648,Cc1cc(Cn2c(N3CC4(CN(C(=O)OC(C)(C)C)C4)C3)nc3c(-c4ccc(N5CCN(C(=O)OC(C)(C)C)CC5)cc4)cc(Cl)cc32)cc(C)c1F,PEFSSGOWIZYKCO-UHFFFAOYSA-N
-rxn:4:218831:222634,O=C(c1cscn1)N1CCC(COc2ncc(-c3ccc(OCCNC4CCCC4)c(F)c3)cn2)CC1,DCQNEYFNVXLHDY-UHFFFAOYSA-N
-rxn:4:218917:223646,CC(C)(C)OC(=O)N1CCN(C(=O)c2ncc(-c3ccc(OC4CCN(C(=O)OC(C)(C)C)C4)cc3)cn2)CC1,KNWBSVCHGLENDZ-UHFFFAOYSA-N
-rxn:4:218972:223787,Cc1nc(C)c(C(=O)N2CCCC(COc3ncc(-c4ccc(OCCCN5CCN(C)CC5)c(F)c4)cn3)C2)s1,VKOXMGBSQDCLBL-UHFFFAOYSA-N
-rxn:4:218991:223687,Cn1cc(-c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2)c(CN2CCN(C(=O)OC(C)(C)C)CC2)n1,GKAIGMRWJVGQPQ-UHFFFAOYSA-N
-rxn:4:219011:222790,CN(c1cnc(-c2cc(Cl)cc(NC(=O)OC(C)(C)C)c2)cn1)C1CCN(C(=O)OC(C)(C)C)CC1,BXSNCALGPYEYIG-UHFFFAOYSA-N
-rxn:4:219028:223935,CC1CN(C(=O)c2cnn(C)c2-c2cc3cccc(F)c3n2C(=O)OC(C)(C)C)CCN1C(=O)OC(C)(C)C,WEHIPRDKFRFBQJ-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:4:219155:225746,Cc1cnc(OCC23CCCC2CN(C(=O)c2cncc(-c4cccnc4C(=O)OC(C)(C)C)c2)C3)nc1,REDCNDDFDZFPKF-UHFFFAOYSA-N
-rxn:4:219403:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3cnn(CC4CN(C5CCN(C6CC6)C5=O)C4)c3)c2)CC1,BMBZEOBYIPAMTE-UHFFFAOYSA-N
-rxn:4:219560:222722,Cc1nc(S(=O)(=O)N2CCCN(C(=O)c3ccccc3-c3cccc(S(=O)(=O)N4CCC(O)CC4)c3)CC2)cn1C,QEKNGLPBVRSTIP-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:4:219688:225984,CC(C)(C)OC(=O)N1CCC(c2nc3ccc(-c4cnc(Cl)c(N5CCOCC5)c4)cn3n2)CC1,QEJOBOBETLXXOC-UHFFFAOYSA-N
-rxn:4:219706:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cc4ncnc(N5CCN(C(=O)OC(C)(C)C)CC5)c4cc3Cl)c2Cl)CC1,MSFNNJGXNCJYLH-UHFFFAOYSA-N
-rxn:4:219767:223062,CN1CCN(n2c3c(c(SCc4ccc(-c5cnc(C6CCNCC6)cc5F)cc4)nc2=O)CCC3)CC1,GKUUXNCDHCDFBI-UHFFFAOYSA-N
-rxn:4:219767:224416,CN1CCN(n2c3c(c(SCc4ccc(-c5cnc(C(F)(F)C(F)(F)C(F)(F)F)nc5)cc4)nc2=O)CCC3)CC1,YRCUMBAFEDXGKC-UHFFFAOYSA-N
-rxn:4:219934:224196,CCN1CCN(Cc2cc(F)cc(-c3cnc(N4CCOC(C(=O)N5CCCC5)C4)nc3)c2)CC1,LYVDEKMIXXIYBH-UHFFFAOYSA-N
-rxn:4:220041:223651,Cc1nc(C2CCN(C(=O)OC(C)(C)C)C2)ccc1-c1nnn2c1CN(C(=O)OC(C)(C)C)CC2,TUKGXSAJYHUHML-UHFFFAOYSA-N
-rxn:4:220366:223505,Cc1ccn(-c2cc(C3CC3)nc(-c3ccc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)cc3)n2)n1,ZQQPGQWYLVDEHS-UHFFFAOYSA-N
-rxn:4:220415:224376,CN1CCN(S(=O)(=O)c2cccc(-c3cnc(N4CCN(C5CCC5)CC4)nc3)c2)CC1,CBPCCKSBUPPBFB-UHFFFAOYSA-N
-rxn:4:220415:224377,CN1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCN(C5CCC5)CC4)nc3)cc2)CC1,WEVWPZWSCUALRG-UHFFFAOYSA-N
-rxn:4:220415:224379,CN1CCN(S(=O)(=O)c2ccccc2-c2cnc(N3CCN(C4CCC4)CC3)nc2)CC1,HMULDVRVAGKWJU-UHFFFAOYSA-N
-rxn:4:220430:224886,CC1CCN(Cc2ccc(-c3cnc(N4CCCN(C5CCSC5)CC4)nc3)cc2)CC1,LDYBXRICLYSNHT-UHFFFAOYSA-N
-rxn:4:220533:224376,CN1CCN(S(=O)(=O)c2cccc(-c3cnc(N4CC(N5CC6CCCC6C5)C4)nc3)c2)CC1,YYHDFCYMGWVHPE-UHFFFAOYSA-N
-rxn:4:220536:223523,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc4ncnc(N5CCN(C6CCC6)CC5)c4c3)c3ccccc23)CC1,DJDOZCDLRPOIGL-UHFFFAOYSA-N
-rxn:4:220536:224379,CN1CCN(S(=O)(=O)c2ccccc2-c2ccc3ncnc(N4CCN(C5CCC5)CC4)c3c2)CC1,APWZDEBUKWDZQC-UHFFFAOYSA-N
-rxn:4:220537:224376,CN1CCN(S(=O)(=O)c2cccc(-c3ccc4nc(N5CCN(C6CCC6)CC5)ncc4c3)c2)CC1,FJSFCNVCDDGHGG-UHFFFAOYSA-N
-rxn:4:220537:224377,CN1CCN(S(=O)(=O)c2ccc(-c3ccc4nc(N5CCN(C6CCC6)CC5)ncc4c3)cc2)CC1,SEFOWBLDOJVRSC-UHFFFAOYSA-N
-rxn:4:220545:224379,CN1CCN(S(=O)(=O)c2ccccc2-c2cnc(N3CCC(N4CCc5sccc5C4)CC3)nc2)CC1,MGWMHIBHTJPLSF-UHFFFAOYSA-N
-rxn:4:221090:222439,CCOC(=O)c1cnc(N2CCCC2)nc1Cn1cc(-c2ccc(S(=O)(=O)NC3CCCCC3)cc2C(F)(F)F)cn1,HGSZHZYAAQTFMM-UHFFFAOYSA-N
-rxn:4:221090:224805,CCOC(=O)c1cc(-c2cnn(Cc3nc(N4CCCC4)ncc3C(=O)OCC)c2)cc(C(F)(F)F)c1,HOCWIDXIBRZIQJ-UHFFFAOYSA-N
-rxn:4:221106:225355,COC(=O)c1ccc(-c2cncc(C(=O)N3CCC(CN(C)c4nccnc4OC)CC3)c2)c(C(F)(F)F)c1,KOEZZOSYHCBMSO-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:4:221175:224171,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4ccc(OCCCN5CCCC5)c(F)c4)cn3)C2)C(=O)C1=O,OVSOBAMWQNHTOU-UHFFFAOYSA-N
-rxn:4:221181:224718,Cc1cc(C(=O)N2CCCC(COc3ncc(-c4ccc(OCCN5CCOCC5)nc4)cn3)C2)nn1C,AOABQANLNPAKPG-UHFFFAOYSA-N
-rxn:4:221193:222546,CN1CCN(C(=O)N2CCCC(COc3ncc(-c4ccc(OCCNC5CCCCC5)c(F)c4)cn3)C2)CC1,FOAKHQKMJHKGTP-UHFFFAOYSA-N
-rxn:4:221198:222833,CC(C)CCC(=O)Nc1cccc(-c2cnc(N3CCC(COc4ccc(C(C)(C)C)nn4)CC3)nc2)c1,XBLJNWLQVWUGCJ-UHFFFAOYSA-N
-rxn:4:221205:224326,Cc1cc(-c2ccc(CCN3CCN(c4ccnc(N5CCOCC5)n4)CC3)cc2)ccc1S(=O)(=O)N1CCCCC1,IYGOORCOTUCYOI-UHFFFAOYSA-N
-rxn:4:221219:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3cnn(CC4CN(c5ncnc6cc(OC)c(OC)cc56)C4)c3)cc2)CC1,QYVXNEKQLNOOKF-UHFFFAOYSA-N
-rxn:4:221227:224306,O=C(c1ccc2nccnc2c1)N1CCCC(COc2ncc(-c3ccc(C(F)(F)F)cc3OC3CCCC3)cn2)C1,CIOQHACCZJLIQY-UHFFFAOYSA-N
-rxn:4:221232:224196,CCN1CCN(Cc2cc(F)cc(-c3cnc(OCC4CCCN(c5nc6c(cc5C#N)COCC6)C4)nc3)c2)CC1,DYCUTDZEGPGKDV-UHFFFAOYSA-N
-rxn:4:221232:225172,N#Cc1cc2c(nc1N1CCCC(COc3ncc(-c4cc(CN5CCOCC5)ccc4F)cn3)C1)CCOC2,WRRMCUJCRNFITA-UHFFFAOYSA-N
-rxn:4:221249:222546,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc4c(-c5ccc(OCCNC6CCCCC6)c(F)c5)cnn4c3)cc2)CC1,QYLAMOSTZXIVEE-UHFFFAOYSA-N
-rxn:4:221369:222634,Cn1nc(C(=O)N2CCCC(Oc3ncc(-c4ccc(OCCNC5CCCC5)c(F)c4)cn3)C2)ccc1=O,WVEXCMVLSUOATO-UHFFFAOYSA-N
-rxn:4:221389:222634,Cc1ncnc(N2CCCC(COc3ncc(-c4ccc(OCCNC5CCCC5)c(F)c4)cn3)C2)c1C,AJHXPBGBZLGABK-UHFFFAOYSA-N
-rxn:4:221394:223594,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)cc(-c3cnc(N4CCC(Cn5nc(C6CC6)ccc5=O)CC4)nc3)c2)CC1,CWNYACFWQDSANK-UHFFFAOYSA-N
-rxn:4:221394:223773,COc1cccc2cc(-c3cnc(N4CCC(Cn5nc(C6CC6)ccc5=O)CC4)nc3)n(C(=O)OC(C)(C)C)c12,OBGIADJFPZYAGF-UHFFFAOYSA-N
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-rxn:4:221412:223593,Cc1nc(C)c(C)c(OCC2CCN(c3ncc(-c4ccc(N5CCN(C(=O)OC(C)(C)C)CC5)c(Cl)c4)cn3)CC2)n1,LHMDEHCYJCFCRW-UHFFFAOYSA-N
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-rxn:5:177738:222984:226131,COc1cc(-c2ccccc2CN2CCCC2)c(-c2ccc(CN3CCC(O)C3)cc2)cc1OC1CCC1,ODZDNQCSDITZJT-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
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-rxn:5:178295:227534:227591,CCOc1cc(F)c(-c2ccc(-c3ccc(C(F)F)cc3OC)cc2C2(C(=O)OC)CCC(=O)CC2)c(F)c1,YJFGCPXXCJGNFS-UHFFFAOYSA-N
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-rxn:5:181906:225587:226686,Cc1ccc(-c2cccc(CN3CCOCC3)c2)c(C2OCCO2)c1-c1c(C)cnn1C1CCCCO1,FOJLTAWZVCERJG-UHFFFAOYSA-N
-rxn:5:181906:225832:223138,Cc1ccc(-c2c(C)nn(C3CCCCO3)c2C)c(C2OCCO2)c1-c1ccnc(C2CCNCC2)c1,RTDLEBURQMXKNG-UHFFFAOYSA-N
-rxn:5:182009:225986:226662,CN1CCN(c2ccc(-c3ccc(-c4ccccc4N4CCCS4(=O)=O)c(C4CCOCC4)c3)s2)CC1,NXNZXGUAXBYCTO-UHFFFAOYSA-N
-rxn:5:182013:226661:225986,CN1CCN(c2csc(-c3ccc(-c4ccccc4N4CCCS4(=O)=O)c(C4CCOCC4)c3)c2)CC1,JEWJBPZPRFGKJY-UHFFFAOYSA-N
-rxn:5:182013:226662:225986,CN1CCN(c2ccc(-c3ccc(-c4ccccc4N4CCCS4(=O)=O)c(C4CCOCC4)c3)s2)CC1,NXNZXGUAXBYCTO-UHFFFAOYSA-N
-rxn:5:188462:225930:227103,COC(=O)c1cc(-c2cc(C)ccc2S(=O)(=O)N(C)C)c(-c2sccc2C2CCCCC2)cc1[N+](=O)[O-],STNJBPDIZFLVGU-UHFFFAOYSA-N
-rxn:5:188787:222998:223140,O=[N+]([O-])c1cc(-c2cc(F)cc(C3CCCNC3)c2)c(-c2ccnc(C3CCCNC3)c2)cc1OC1CC1,QGAVKLYPUTWBLR-UHFFFAOYSA-N
-rxn:5:188787:223002:223062,O=[N+]([O-])c1cc(-c2ccc(C3CCNCC3)cc2F)c(-c2cnc(C3CCNCC3)cc2F)cc1OC1CC1,ZNZGAGKCSBMBKQ-UHFFFAOYSA-N
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-rxn:5:188787:223008:223062,O=[N+]([O-])c1cc(-c2cc(C3CCNCC3)ccc2F)c(-c2cnc(C3CCNCC3)cc2F)cc1OC1CC1,LBFFDBTYOXVCEI-UHFFFAOYSA-N
-rxn:5:188787:223008:226663,O=[N+]([O-])c1cc(-c2cc(C3CCNCC3)ccc2F)c(-c2ccc(N3CCSCC3)nc2)cc1OC1CC1,AGHUZZKKTWXDKD-UHFFFAOYSA-N
-rxn:5:188787:223062:223002,O=[N+]([O-])c1cc(-c2cnc(C3CCNCC3)cc2F)c(-c2ccc(C3CCNCC3)cc2F)cc1OC1CC1,ZIJDNNOPCYDHJZ-UHFFFAOYSA-N
-rxn:5:188787:223062:223008,O=[N+]([O-])c1cc(-c2cnc(C3CCNCC3)cc2F)c(-c2cc(C3CCNCC3)ccc2F)cc1OC1CC1,IXROFPNHERSVKL-UHFFFAOYSA-N
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-rxn:5:188787:223064:226663,O=[N+]([O-])c1cc(-c2ccc(C3CCNCC3)nc2F)c(-c2ccc(N3CCSCC3)nc2)cc1OC1CC1,ONLDCZWRHUVEEP-UHFFFAOYSA-N
-rxn:5:188787:223065:223065,O=[N+]([O-])c1cc(-c2ccc(N3CCNCC3)cc2F)c(-c2ccc(N3CCNCC3)cc2F)cc1OC1CC1,OXXBEXRNALEVBB-UHFFFAOYSA-N
-rxn:5:188787:223065:225834,O=[N+]([O-])c1cc(-c2ccc(N3CCNCC3)cc2F)c(-c2cc(N3CCCCC3)ncc2F)cc1OC1CC1,NXFIWXGTIIFYRU-UHFFFAOYSA-N
-rxn:5:188787:223065:226438,O=[N+]([O-])c1cc(-c2ccc(N3CCNCC3)cc2F)c(-c2cnc(C3CCCC3)cc2F)cc1OC1CC1,GWZMWCRPAZDTHG-UHFFFAOYSA-N
-rxn:5:188787:223140:222998,O=[N+]([O-])c1cc(-c2ccnc(C3CCCNC3)c2)c(-c2cc(F)cc(C3CCCNC3)c2)cc1OC1CC1,AXFFEWXMTDJQDP-UHFFFAOYSA-N
-rxn:5:188787:225671:226663,O=[N+]([O-])c1cc(-c2cc(C3CCCCC3)ncc2F)c(-c2ccc(N3CCSCC3)nc2)cc1OC1CC1,JRYMNWZQCHGFSM-UHFFFAOYSA-N
-rxn:5:188787:225674:226663,O=[N+]([O-])c1cc(-c2cnc(C3CCCCC3)cc2F)c(-c2ccc(N3CCSCC3)nc2)cc1OC1CC1,VRFDRKSUGNRMJA-UHFFFAOYSA-N
-rxn:5:188787:225834:223065,O=[N+]([O-])c1cc(-c2cc(N3CCCCC3)ncc2F)c(-c2ccc(N3CCNCC3)cc2F)cc1OC1CC1,NXVUVZGLDPPQNK-UHFFFAOYSA-N
-rxn:5:188787:225834:226438,O=[N+]([O-])c1cc(-c2cc(N3CCCCC3)ncc2F)c(-c2cnc(C3CCCC3)cc2F)cc1OC1CC1,AJPRSRVVRRXVAR-UHFFFAOYSA-N
-rxn:5:188787:226139:225601,N#CC1(c2ccc(-c3cc(OC4CC4)c([N+](=O)[O-])cc3-c3cc(C4CC4)cnc3C3CC3)c(F)c2)CCC1,CSCFRDUDRRPBCY-UHFFFAOYSA-N
-rxn:5:188787:226366:223006,O=[N+]([O-])c1cc(-c2ccnc(N3CCCCC3)c2)c(-c2ccc(F)c(C3CCNCC3)c2)cc1OC1CC1,VXXLQGHLUYJGCU-UHFFFAOYSA-N
-rxn:5:188787:226438:223065,O=[N+]([O-])c1cc(-c2cnc(C3CCCC3)cc2F)c(-c2ccc(N3CCNCC3)cc2F)cc1OC1CC1,ZHMQTBOJNKSPKC-UHFFFAOYSA-N
-rxn:5:188787:226438:225834,O=[N+]([O-])c1cc(-c2cnc(C3CCCC3)cc2F)c(-c2cc(N3CCCCC3)ncc2F)cc1OC1CC1,YQHSXCABYJSYTJ-UHFFFAOYSA-N
-rxn:5:188930:225671:227377,COC(=O)c1cc(S(N)(=O)=O)c(-c2cc(C3CCCCC3)ncc2F)cc1-c1cncnc1C1CCCC1,NHXINVPVLCVAFN-UHFFFAOYSA-N
-rxn:5:188930:226139:226374,COC(=O)c1cc(S(N)(=O)=O)c(-c2cc(C3CC3)cnc2C2CC2)cc1-c1cncnc1C1CCCCC1,IVLXHUDHGRXZGN-UHFFFAOYSA-N
-rxn:5:188930:226374:226139,COC(=O)c1cc(S(N)(=O)=O)c(-c2cncnc2C2CCCCC2)cc1-c1cc(C2CC2)cnc1C1CC1,BLSVVTNGZKXOOK-UHFFFAOYSA-N
-rxn:5:188930:226382:226139,COC(=O)c1cc(S(N)(=O)=O)c(-c2cnc(C3CCCCC3)nc2)cc1-c1cc(C2CC2)cnc1C1CC1,NTXOXTYXOALJDO-UHFFFAOYSA-N
-rxn:5:188930:226382:226182,COC(=O)c1cc(S(N)(=O)=O)c(-c2cnc(C3CCCCC3)nc2)cc1-c1cccnc1C1CCCCC1,MAFSOOFOKVXZKJ-UHFFFAOYSA-N
-rxn:5:188932:226139:226382,COC(=O)c1cc(-c2cnc(C3CCCCC3)nc2)c(S(N)(=O)=O)c(-c2cc(C3CC3)cnc2C2CC2)c1,CQKBIOBAROEKOU-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:5:189083:226661:223007,CCN(C)C(=O)c1cccc(-c2cc(N3CCN(C)CC3)cs2)c1-c1cc(F)cc(C2CCNCC2)c1,GNGVBVAGGLFLJD-UHFFFAOYSA-N
-rxn:5:189083:226662:222998,CCN(C)C(=O)c1cccc(-c2ccc(N3CCN(C)CC3)s2)c1-c1cc(F)cc(C2CCCNC2)c1,NKGVIKCEULEWMZ-UHFFFAOYSA-N
-rxn:5:189083:226662:223007,CCN(C)C(=O)c1cccc(-c2ccc(N3CCN(C)CC3)s2)c1-c1cc(F)cc(C2CCNCC2)c1,AEJUYVHNMNOIAR-UHFFFAOYSA-N
-rxn:5:189207:227408:227283,N#Cc1cc(-c2ccc(-c3cc(C4CCC4)ncc3F)cc2C(=O)ON2C(=O)CCC2=O)cc(C2CC2)n1,OEBRCYIIOCCAGS-UHFFFAOYSA-N
-rxn:5:189207:227413:227282,CC(C)c1ncc(C#N)cc1-c1ccc(-c2cnc(C3CCC3)cc2F)cc1C(=O)ON1C(=O)CCC1=O,XGIGZYIGWVMCMD-UHFFFAOYSA-N
-rxn:5:189207:227413:227284,N#Cc1cc(-c2ccc(-c3cnc(C4CCC4)cc3F)cc2C(=O)ON2C(=O)CCC2=O)c(C2CC2)cn1,RDOLYKLRVVTBLS-UHFFFAOYSA-N
-rxn:5:189207:227419:227282,CC(C)c1ncc(C#N)cc1-c1ccc(-c2ccc(C3CCC3)nc2F)cc1C(=O)ON1C(=O)CCC1=O,NMHYJOYLIYTWMT-UHFFFAOYSA-N
-rxn:5:189208:225814:225633,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cccc(C3(C(F)(F)F)CC3)c2)cc1-c1ccc(N2CCCCCC2)nc1,FUNKHCKCOCPXMI-UHFFFAOYSA-N
-rxn:5:189208:226744:227569,CCc1cc(-c2ccc(C(=O)ON3C(=O)CCC3=O)c(-c3c(OC)ccc(F)c3OC)c2)cnc1C(F)(F)F,DARPHJGHANADDR-UHFFFAOYSA-N
-rxn:5:189209:227284:227408,N#Cc1cc(-c2cc(C(=O)ON3C(=O)CCC3=O)cc(-c3cc(C4CCC4)ncc3F)c2)c(C2CC2)cn1,KJSIUGFQIBTNRO-UHFFFAOYSA-N
-rxn:5:189209:227284:227413,N#Cc1cc(-c2cc(C(=O)ON3C(=O)CCC3=O)cc(-c3cnc(C4CCC4)cc3F)c2)c(C2CC2)cn1,OFZKKSGRROGWLG-UHFFFAOYSA-N
-rxn:5:189209:227413:227278,N#CC1(c2ccc(-c3cc(C(=O)ON4C(=O)CCC4=O)cc(-c4cnc(C5CCC5)cc4F)c3)cn2)CC1,IBQXJMIXLXPQFG-UHFFFAOYSA-N
-rxn:5:189209:227419:227284,N#Cc1cc(-c2cc(C(=O)ON3C(=O)CCC3=O)cc(-c3ccc(C4CCC4)nc3F)c2)c(C2CC2)cn1,VZKZVFFBJUGYLN-UHFFFAOYSA-N
-rxn:5:189210:227413:227282,CC(C)c1ncc(C#N)cc1-c1cccc(-c2cnc(C3CCC3)cc2F)c1C(=O)ON1C(=O)CCC1=O,VYBDGSWBEKUCSM-UHFFFAOYSA-N
-rxn:5:189211:227283:227408,N#Cc1cc(-c2cccc(C(=O)ON3C(=O)CCC3=O)c2-c2cc(C3CCC3)ncc2F)cc(C2CC2)n1,NLJZCAVXFQXFOH-UHFFFAOYSA-N
-rxn:5:189539:225591:225465,CC(C)N(C)C(=O)c1cccc(-c2cc(CN3CCCC3)ccc2F)c1-c1cccc(C2CCN(C)CC2)c1,KCOLQDTXMKSQQK-UHFFFAOYSA-N
-rxn:5:189665:226450:226446,Cc1nc(C2CCOC2)ccc1-c1cc(-c2cccc(C3(C)OCCO3)c2)cnc1OCC1CCOCC1,NLTWBVKLIMYPAN-UHFFFAOYSA-N
-rxn:5:189669:227444:225784,CC(C)(C)S(=O)/N=C/c1ccc(-c2cncc(C3CCCO3)c2)c(-c2ccc(CN3CCOCC3)nc2)c1,KIZRUEWGFRTONR-ATZGPIRCSA-N
-rxn:5:189718:227403:228481,O=[N+]([O-])c1cc(-c2ccnc(C(F)(F)F)c2)c(-c2ccc(N3CCCCC3)s2)cc1OC1CCOCC1,JVKAOFABQGMQAY-UHFFFAOYSA-N
-rxn:5:189952:226644:225976,COc1c(-c2cncc(N3CCOCC3)c2)cc(C(=O)N2CCOCC2)cc1-c1ccnc(N2CCOCC2)c1F,BGIAMCOXYZZTGF-UHFFFAOYSA-N
-rxn:5:190127:226338:228182,COC1CCN(C(=O)c2cc(-c3ccnc(OC4CCCC4)c3)ccc2-c2cccc(CC(F)F)c2)CC1,JRXFIJKKXMTYDS-UHFFFAOYSA-N
-rxn:5:190128:226330:228761,COc1cc(-c2cc(C(=O)N3CCC(OC)CC3)ccc2-c2ccc(C(C)N3CCCC3)s2)cnc1C,GIBPXAZZKWYENE-UHFFFAOYSA-N
-rxn:5:190177:227288:225814,CN(C)C(=O)c1ccccc1-c1ccc(N2C(=O)CC(Sc3ccc(-c4cccc(C5(C(F)(F)F)CC5)c4)cc3)C2=O)cc1,MABOHRQYAZBCOE-UHFFFAOYSA-N
-rxn:5:190194:223058:227297,COC1CCN(Cc2cccc(-c3cc(F)nc(C4CCCNC4)c3)c2-c2cc(CN(C)C)ccc2F)CC1,AFFYJVXTAGIHQD-UHFFFAOYSA-N
-rxn:5:190194:223058:227301,COC1CCN(Cc2cccc(-c3cc(F)nc(C4CCCNC4)c3)c2-c2ccc(F)cc2CN(C)C)CC1,JIKTXFTYUYFMDC-UHFFFAOYSA-N
-rxn:5:190194:223064:227297,COC1CCN(Cc2cccc(-c3ccc(C4CCNCC4)nc3F)c2-c2cc(CN(C)C)ccc2F)CC1,NNZBNOVHSOMQAB-UHFFFAOYSA-N
-rxn:5:190194:225881:227297,COC1CCN(Cc2cccc(-c3ccc(C4CCOCC4)nc3F)c2-c2cc(CN(C)C)ccc2F)CC1,HSDJPDXOTNVVBE-UHFFFAOYSA-N
-rxn:5:190194:225976:227297,COC1CCN(Cc2cccc(-c3ccnc(N4CCOCC4)c3F)c2-c2cc(CN(C)C)ccc2F)CC1,NTRGCRLMLKGUBG-UHFFFAOYSA-N
-rxn:5:190194:225978:227297,COC1CCN(Cc2cccc(-c3ccc(N4CCOCC4)nc3F)c2-c2cc(CN(C)C)ccc2F)CC1,PVFMBRISXOCMFF-UHFFFAOYSA-N
-rxn:5:190194:225980:227297,COC1CCN(Cc2cccc(-c3cc(N4CCOCC4)ncc3F)c2-c2cc(CN(C)C)ccc2F)CC1,LIUQQKVHMLNTDO-UHFFFAOYSA-N
-rxn:5:190194:225982:227297,COC1CCN(Cc2cccc(-c3cnc(N4CCOCC4)cc3F)c2-c2cc(CN(C)C)ccc2F)CC1,XLWYBBNAXQCELY-UHFFFAOYSA-N
-rxn:5:190194:226654:227297,COC1CCN(Cc2cccc(-c3csc(N4CCC(C)CC4)n3)c2-c2cc(CN(C)C)ccc2F)CC1,BWTWVWHNGFURCD-UHFFFAOYSA-N
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-rxn:5:190194:226662:227319,COC1CCN(Cc2cccc(-c3ccc(N4CCN(C)CC4)s3)c2-c2cc(CC(C)C)ncc2F)CC1,CVHCSJBWVDOBJC-UHFFFAOYSA-N
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-rxn:5:190194:228692:225980,COC1CCN(Cc2cccc(-c3ccc(CN(C)C)s3)c2-c2cc(N3CCOCC3)ncc2F)CC1,AZZDPXMWPMQIRT-UHFFFAOYSA-N
-rxn:5:190194:228692:225988,COC1CCN(Cc2cccc(-c3ccc(CN(C)C)s3)c2-c2c(F)cc(C3OCCO3)cc2F)CC1,XBVVUMUHNDHHTL-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
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-rxn:5:193382:226662:223142,CN1CCN(c2ccc(-c3ccc(S(=O)(=O)N4CCOCC4)c(-c4ccc(C5CCCNC5)nc4)c3)s2)CC1,CPRJGQOVXIFJPB-UHFFFAOYSA-N
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-rxn:5:193382:226662:228717,Cc1nn(C2CC2)cc1-c1cc(-c2ccc(N3CCN(C)CC3)s2)ccc1S(=O)(=O)N1CCOCC1,GSEYLMNWWTVSIM-UHFFFAOYSA-N
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-rxn:5:193382:227437:225683,Cc1nc(C2CCCOC2)ccc1-c1cc(-c2ccnc(C3CCCO3)c2)ccc1S(=O)(=O)N1CCOCC1,WYTVMUYQLRIKMI-UHFFFAOYSA-N
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-rxn:5:193756:225605:228320,COC(=O)c1cc(-c2cc(-c3cc(C)cnc3OC3CCCC3)ccc2C(=O)N2CCCCC2C)ccn1,XKDYXMNICLKUNL-UHFFFAOYSA-N
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-rxn:5:193756:225808:225640,CC1CCCCN1C(=O)c1ccc(-c2cc(OC3CCCC3)ncc2F)cc1-c1ccnc(N2CCCCC2C)c1,CSXNMOBEWICKLH-UHFFFAOYSA-N
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-rxn:5:193756:227387:225652,CC1CCCN(c2cncc(-c3cc(-c4ccnc(N5CCCC5)c4)ccc3C(=O)N3CCCCC3C)c2)C1,RNCURIXYIZPVHQ-UHFFFAOYSA-N
-rxn:5:193756:227408:226437,CC1CCCCN1C(=O)c1ccc(-c2cc(C3CCC3)ncc2F)cc1-c1cc(C2CCCC2)ncc1F,OUOLALHEMWIQPL-UHFFFAOYSA-N
-rxn:5:193756:228321:225653,COC(=O)c1cncc(-c2ccc(C(=O)N3CCCCC3C)c(-c3ccc(N4CCCCC4C)nc3)c2)c1,WBJMDKCXYDRLIE-UHFFFAOYSA-N
-rxn:5:193807:227299:226662,CC1CCN(Cc2cccc(-c3ccc(N4CCN(C)CC4)s3)c2-c2cc(F)cc(CN(C)C)c2)CC1,GOYXQUHZWUUSKK-UHFFFAOYSA-N
-rxn:5:193809:226744:226028,CCc1cc(-c2ccc(CN3CCC(C)CC3)c(-c3ccc(C(F)(F)F)c(C#N)c3F)c2)cnc1C(F)(F)F,GTTAAXMEBULCHP-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:5:194058:223054:225613,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2ccnc(OC3CCCCC3)c2)s1)N1CCC(O)C1,WSILWYGAVPRSNS-UHFFFAOYSA-M
-rxn:5:194058:223054:225632,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2cccc(N3CCN(C)CC3)c2)s1)N1CCC(O)C1,LJOWNWWPNWREQQ-UHFFFAOYSA-M
-rxn:5:194058:223054:225637,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2ccccc2N2CCN(C)CC2)s1)N1CCC(O)C1,FBHHZELYDCQZKZ-UHFFFAOYSA-M
-rxn:5:194058:223054:225640,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2ccnc(N3CCCCC3C)c2)s1)N1CCC(O)C1,JISFHSMAEOIEBI-UHFFFAOYSA-M
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-rxn:5:194058:225637:223054,CC(c1ccc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2ccccc2N2CCN(C)CC2)s1)N1CCC(O)C1,RZKYTGKHSBOPRJ-UHFFFAOYSA-M
-rxn:5:194058:225656:223054,CC(c1ccc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2cncc(N3CCCCC3C)c2)s1)N1CCC(O)C1,MZRVCRMOJMYGTH-UHFFFAOYSA-M
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-rxn:5:194058:225832:222988,Cc1cc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2c(C)nn(C3CCCCO3)c2C)cc(C2CCNCC2)n1,AWKSHRDEPWQITJ-UHFFFAOYSA-M
-rxn:5:194058:225832:223062,Cc1nn(C2CCCCO2)c(C)c1-c1cc2c(OS(=O)(=O)[O-])c[nH]c2cc1-c1cnc(C2CCNCC2)cc1F,QBVNIRLGJBEQFT-UHFFFAOYSA-M
-rxn:5:194058:225832:223064,Cc1nn(C2CCCCO2)c(C)c1-c1cc2c(OS(=O)(=O)[O-])c[nH]c2cc1-c1ccc(C2CCNCC2)nc1F,FKXLALJQHNGNES-UHFFFAOYSA-M
-rxn:5:194058:225832:226425,Cc1nn(C2CCCCO2)c(C)c1-c1cc2c(OS(=O)(=O)[O-])c[nH]c2cc1-c1ccc(N2CCCCC2C)s1,XUJGIDXYSNBHTD-UHFFFAOYSA-M
-rxn:5:194058:225832:226426,Cc1nn(C2CCCCO2)c(C)c1-c1cc2c(OS(=O)(=O)[O-])c[nH]c2cc1-c1ccc(N2CCC(C)CC2)s1,DQDQHRVVMRLYLD-UHFFFAOYSA-M
-rxn:5:194058:225832:226427,Cc1nn(C2CCCCO2)c(C)c1-c1cc2c(OS(=O)(=O)[O-])c[nH]c2cc1-c1cc(N2CCC(C)CC2)cs1,ALHYURWUKREKLK-UHFFFAOYSA-M
-rxn:5:194058:225832:226429,Cc1nn(C2CCCCO2)c(C)c1-c1cc2c(OS(=O)(=O)[O-])c[nH]c2cc1-c1ccc(N2CCCC(C)C2)s1,FIBMHXXFVJZYHT-UHFFFAOYSA-M
-rxn:5:194058:226425:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc2[nH]cc(OS(=O)(=O)[O-])c2cc1-c1ccc(N2CCCCC2C)s1,YNSCJPUZSUZENN-UHFFFAOYSA-M
-rxn:5:194058:226426:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc2[nH]cc(OS(=O)(=O)[O-])c2cc1-c1ccc(N2CCC(C)CC2)s1,TVIOPTMDUCUXEC-UHFFFAOYSA-M
-rxn:5:194058:226427:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc2[nH]cc(OS(=O)(=O)[O-])c2cc1-c1cc(N2CCC(C)CC2)cs1,SKGNIXFQCPCYJK-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:5:194733:228908:227666,COc1cc(-c2ccc(-c3ccc(C(C)=O)c(F)c3F)c(C(=O)N3C4CCC3CC(=C3CC3)C4)c2)c(F)cn1,QVHUTVVTKJLIRI-UHFFFAOYSA-N
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-rxn:5:194767:228338:227896,N#CC=Cc1ccccc1-c1ccc(-c2cnc(OC3CCC3)s2)cc1C(=O)N1CCCC2(C1)OC(=O)c1ccccc12,TXSNBJXJJYBCBV-UHFFFAOYSA-N
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-rxn:5:197876:225591:228613,CCc1ccc(-c2cc3c(cc2-c2cc(CN4CCCC4)ccc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1F,NWNKISHBKSTSGD-UHFFFAOYSA-N
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-rxn:5:197876:225602:227558,Cc1cc(OC(F)F)ccc1-c1cc2c(cc1-c1cc(C3(C#N)CCC3)ccc1F)S(=O)(=O)N(C(C)(C)C)C2=O,GKQZVWZVOKYNIE-UHFFFAOYSA-N
-rxn:5:197876:225671:226768,CSc1ccc(-c2cc3c(cc2-c2cc(C4CCCCC4)ncc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1C(F)(F)F,KPEVUUFGODPRDO-UHFFFAOYSA-N
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-rxn:5:197876:225674:228509,CC(C)c1ccc(-c2cc3c(cc2-c2cnc(C4CCCCC4)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1,DQGDMOBOJXDPPF-UHFFFAOYSA-N
-rxn:5:197876:225816:227415,CC(C)(C)c1ccc(-c2cc3c(cc2-c2cc(C4CC4)ccc2C(F)(F)F)S(=O)(=O)N(C(C)(C)C)C3=O)c(F)n1,QUGCTDWERZKELM-UHFFFAOYSA-N
-rxn:5:197876:225816:228595,CCc1ncc(C)cc1-c1cc2c(cc1-c1cc(C3CC3)ccc1C(F)(F)F)S(=O)(=O)N(C(C)(C)C)C2=O,TXMBCWVPYSXDKZ-UHFFFAOYSA-N
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-rxn:5:197876:225927:228781,CN(C)c1ccc(C(F)(F)F)cc1-c1cc2c(cc1-c1ccc(C(F)F)cc1)C(=O)N(C(C)(C)C)S2(=O)=O,DSSQBFZNJPHNHM-UHFFFAOYSA-N
-rxn:5:197876:226031:223398,CNCc1ccc(-c2cc3c(cc2-c2ccc(C(F)(F)F)cc2C(F)F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1,TZFYQZRZXWINCW-UHFFFAOYSA-N
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-rxn:5:197876:226031:229025,Cc1cc(-c2cc3c(cc2-c2ccc(C(F)(F)F)cc2C(F)F)S(=O)(=O)N(C(C)(C)C)C3=O)c(C)n1C,PWUCJZUVOKVKSY-UHFFFAOYSA-N
-rxn:5:197876:226032:228253,COc1cc(-c2cc3c(cc2-c2ccc(P(C)(C)=O)cc2)C(=O)N(C(C)(C)C)S3(=O)=O)c(F)c(C(F)(F)F)c1,YSWVMRKRBSODPD-UHFFFAOYSA-N
-rxn:5:197876:226052:228509,CC(C)c1ccc(-c2cc3c(cc2-c2c(F)ccc(OC(F)(F)F)c2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1,OTWOJDRIYBKZGC-UHFFFAOYSA-N
-rxn:5:197876:226058:223012,COC(=O)c1cc2cc(-c3cc4c(cc3-c3c(C(C)C)cccc3C(C)C)S(=O)(=O)N(C(C)(C)C)C4=O)ccc2[nH]1,MZSAWMZIIFMMEK-UHFFFAOYSA-N
-rxn:5:197876:226058:227937,CC(C)Sc1cccc(-c2cc3c(cc2-c2c(C(C)C)cccc2C(C)C)S(=O)(=O)N(C(C)(C)C)C3=O)c1,ZLQPZEWTODDDPR-UHFFFAOYSA-N
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-rxn:5:197876:226067:225886,CC(C)(C)N1C(=O)c2cc(-c3ccc4c(ccn4S(C)(=O)=O)c3)c(-c3ccc(C4=CCCCC4)cc3)cc2S1(=O)=O,LDMMEKZWVSCGNL-UHFFFAOYSA-N
-rxn:5:197876:226068:227999,Cc1cc(C(C)(C)C)cc(C)c1-c1cc2c(cc1-c1ccc(C(C)C)cc1F)C(=O)N(C(C)(C)C)S2(=O)=O,CHGHXEHIVXKDPF-UHFFFAOYSA-N
-rxn:5:197876:226068:228274,CSc1cc(-c2cc3c(cc2-c2c(C)cc(C(C)(C)C)cc2C)S(=O)(=O)N(C(C)(C)C)C3=O)c(F)cc1C,LKYIMBVCUSVGCG-UHFFFAOYSA-N
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-rxn:5:197876:226085:227989,CC#Cc1ccc(F)c(-c2cc3c(cc2-c2ccc4c(c2)CCC(C)(C)O4)S(=O)(=O)N(C(C)(C)C)C3=O)c1,LCHTVQQNJZFECO-UHFFFAOYSA-N
-rxn:5:197876:226085:228437,CC1(C)CCc2cc(-c3cc4c(cc3-c3ccc(C(F)F)cc3F)C(=O)N(C(C)(C)C)S4(=O)=O)ccc2O1,TZAVPNHLOBZSRA-UHFFFAOYSA-N
-rxn:5:197876:226137:227079,CC(C)Cc1ccc(F)c(-c2cc3c(cc2-c2cc(C4CC4)cnc2C(C)C)S(=O)(=O)N(C(C)(C)C)C3=O)c1,ONXDBQMXQKBYAN-UHFFFAOYSA-N
-rxn:5:197876:226182:227029,CC(C)(C#N)c1ccccc1-c1cc2c(cc1-c1cccnc1C1CCCCC1)S(=O)(=O)N(C(C)(C)C)C2=O,ZTFLXJVHALHDLC-UHFFFAOYSA-N
-rxn:5:197876:226190:227898,CC(C)Cc1cncc(-c2cc3c(cc2-c2ccc(C4CCCC4)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,GVTRGBKJWPAGNR-UHFFFAOYSA-N
-rxn:5:197876:226432:226059,CC(C)c1ccc(-c2cc3c(cc2-c2ccc(C4CCCC4)nc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c(C(C)C)c1,NJHBEEGGFCGSTI-UHFFFAOYSA-N
-rxn:5:197876:226432:228567,CCC(C)c1sccc1-c1cc2c(cc1-c1ccc(C3CCCC3)nc1F)S(=O)(=O)N(C(C)(C)C)C2=O,QVXCRINLYBYDBJ-UHFFFAOYSA-N
-rxn:5:197876:226588:227048,CC(C)C(=O)c1ccc(-c2cc3c(cc2-c2cc(OC4CCC4)ncc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1,YZBOLKSAUFCHLG-UHFFFAOYSA-N
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-rxn:5:197876:226589:228248,CC(=O)c1ccc(-c2cc3c(cc2-c2cc(C(F)F)ncc2C(C)C)S(=O)(=O)N(C(C)(C)C)C3=O)c(F)c1,FJISZEGUCOAWSL-UHFFFAOYSA-N
-rxn:5:197876:226589:228803,CC(C)c1cnc(C(F)F)cc1-c1cc2c(cc1-c1cc([Si](C)(C)C)cs1)C(=O)N(C(C)(C)C)S2(=O)=O,XZVCJKIAKZWQBK-UHFFFAOYSA-N
-rxn:5:197876:226593:228263,CC(C)Oc1ccc(F)c(-c2cc3c(cc2-c2ccc(C(C)(F)F)cc2)C(=O)N(C(C)(C)C)S3(=O)=O)c1F,BZTVPSCLSSODFV-UHFFFAOYSA-N
-rxn:5:197876:226594:227913,CC(C)Oc1ccc(-c2cc3c(cc2-c2c(F)cc(OC(C)C)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1,FSTWSXLSXHGTQS-UHFFFAOYSA-N
-rxn:5:197876:226601:227812,CC(C)Cc1cccc(-c2cc3c(cc2-c2c(OC(C)C)ccc(F)c2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,DPZPCJPDHKWLCY-UHFFFAOYSA-N
-rxn:5:197876:226601:227909,CCC(C)c1cc(-c2cc3c(cc2-c2c(OC(C)C)ccc(F)c2F)S(=O)(=O)N(C(C)(C)C)C3=O)ccn1,DPBJDMQUTVFRQZ-UHFFFAOYSA-N
-rxn:5:197876:226605:227828,Cc1c(-c2cc3c(cc2-c2cc(F)c(OC(C)C)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cccc1C1CC1,IPJZZIUNVWMYNM-UHFFFAOYSA-N
-rxn:5:197876:226610:226085,CCc1cc(-c2cc3c(cc2-c2ccc4c(c2)CCC(C)(C)O4)C(=O)N(C(C)(C)C)S3(=O)=O)cc(C(F)(F)F)c1,NXOPXEBBGMBXRQ-UHFFFAOYSA-N
-rxn:5:197876:226611:227531,CCc1ccc(C(F)(F)F)cc1-c1cc2c(cc1-c1cc(F)cc(C(=O)OC)c1)C(=O)N(C(C)(C)C)S2(=O)=O,WAUZODMBFRQPQW-UHFFFAOYSA-N
-rxn:5:197876:226710:227023,CC(c1ccc(-c2cc3c(cc2-c2ccc(F)c([Si](C)(C)C)c2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1)N(C)C,ZLPKZXWEASESCE-UHFFFAOYSA-N
-rxn:5:197876:226741:226912,Cc1cc(CC(C)C)cc(-c2cc3c(cc2-c2cc(C(F)(F)F)ccc2C#N)S(=O)(=O)N(C(C)(C)C)C3=O)c1,RYDLENGKVUFMNZ-UHFFFAOYSA-N
-rxn:5:197876:226741:227926,CC(C)Sc1ccc(-c2cc3c(cc2-c2cc(C(F)(F)F)ccc2C#N)S(=O)(=O)N(C(C)(C)C)C3=O)cc1,OIMBVCSFHBUPNS-UHFFFAOYSA-N
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-rxn:5:197876:226762:227673,CSc1cc(-c2cc3c(cc2-c2cccc(C(C)(F)F)c2F)C(=O)N(C(C)(C)C)S3(=O)=O)cc(C(F)(F)F)c1,GVXYEPLVNSFORX-UHFFFAOYSA-N
-rxn:5:197876:226767:227525,CCc1cnc(C(F)F)cc1-c1cc2c(cc1-c1cc(OC)ccc1C(F)(F)F)S(=O)(=O)N(C(C)(C)C)C2=O,BFTILELZMXVSID-UHFFFAOYSA-N
-rxn:5:197876:226768:228261,CSc1ccc(-c2cc3c(cc2-c2c(SC)ccc(F)c2C)C(=O)N(C(C)(C)C)S3(=O)=O)cc1C(F)(F)F,XZGIOMNSBZQJOP-UHFFFAOYSA-N
-rxn:5:197876:226827:226914,Cc1cc(CC(C)C)ccc1-c1cc2c(cc1-c1ccc(C(F)(F)F)c(C)c1F)S(=O)(=O)N(C(C)(C)C)C2=O,XIPNWXFXELIOFC-UHFFFAOYSA-N
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-rxn:5:197876:226875:228222,CC(C)c1cc(-c2cc3c(cc2-c2cc(F)c(OC(F)F)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc(F)n1,GYFZPRVJANGJSM-UHFFFAOYSA-N
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-rxn:5:197876:226912:226966,Cc1cc(CC(C)C)cc(-c2cc3c(cc2-c2ccc4c(c2)C(=O)CCC4)C(=O)N(C(C)(C)C)S3(=O)=O)c1,SVPCKASDNQQZLI-UHFFFAOYSA-N
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-rxn:5:197876:226917:227124,Cc1cc(-c2cc3c(cc2-c2ccc(C(C)(C)C)cc2F)C(=O)N(C(C)(C)C)S3(=O)=O)cc(C(C)(C)C)c1,HRGUUQAEPQGMHQ-UHFFFAOYSA-N
-rxn:5:197876:226918:226910,CCC(C)(C)c1ccc(-c2cc3c(cc2-c2ccc(C4=CCCC4)cc2)S(=O)(=O)N(C(C)(C)C)C3=O)cc1,XZNUMYZQTRYCFZ-UHFFFAOYSA-N
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-rxn:5:197876:227100:227547,Cc1cc(-c2cc3c(cc2-c2c(C)cc(C4CC4)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)ccc1OC(F)F,LGMXMJYISDSNDO-UHFFFAOYSA-N
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-rxn:5:197876:227106:227124,Cc1cc(F)c(-c2cc3c(cc2-c2ccc(C(C)(C)C)cc2F)C(=O)N(C(C)(C)C)S3(=O)=O)cc1C1CC1,CQSCMVBUBJCWHD-UHFFFAOYSA-N
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-rxn:5:197876:227124:226149,COc1ccc(-c2cc3c(cc2-c2ccc(C(C)(C)C)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1C(C)(C)C,WOVACYQHVYPBJH-UHFFFAOYSA-N
-rxn:5:197876:227209:227075,COc1cc(-c2cc3c(cc2-c2ccc4c(c2)OC(C)(C)O4)S(=O)(=O)N(C(C)(C)C)C3=O)cc(C(C)C)c1,DTMZLCFJKSGTSQ-UHFFFAOYSA-N
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-rxn:5:197876:227329:227706,COc1cnc(C(F)F)c(-c2cc3c(cc2-c2cc(C(C)=O)ccc2OC)S(=O)(=O)N(C(C)(C)C)C3=O)c1,GTUNBWIVYODCTK-UHFFFAOYSA-N
-rxn:5:197876:227338:227309,CCC(C)c1cc(-c2cc3c(cc2-c2cc(OC(C)C)ccc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc(F)n1,LUOMLVHCIXPBDG-UHFFFAOYSA-N
-rxn:5:197876:227345:227735,Cc1ncc(-c2cc3c(cc2-c2ccc(OC(C)C)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1C(F)(F)F,JMYIISVZBVBVLV-UHFFFAOYSA-N
-rxn:5:197876:227409:226914,Cc1cc(CC(C)C)ccc1-c1cc2c(cc1-c1cc(C(C)(C)C)ncc1F)S(=O)(=O)N(C(C)(C)C)C2=O,DNVDNORBWRECBF-UHFFFAOYSA-N
-rxn:5:197876:227412:226767,COc1ccc(C(F)(F)F)c(-c2cc3c(cc2-c2cnc(C(C)(C)C)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,OTKOZCFGIXPBRF-UHFFFAOYSA-N
-rxn:5:197876:227515:227065,CC(C)Oc1cnc(F)c(-c2cc3c(cc2-c2cccc(C(=O)C(C)C)c2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,RPKUNOLUIPQSNJ-UHFFFAOYSA-N
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-rxn:5:197876:227589:227402,Cc1cc(OC(F)F)cc(-c2cc3c(cc2-c2cc(F)nc(C(C)(C)C)c2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,GYICTKBSDVYXOF-UHFFFAOYSA-N
-rxn:5:197876:227659:226913,CCc1cc(-c2cc3c(cc2-c2cccc(C(F)(F)F)c2C)S(=O)(=O)N(C(C)(C)C)C3=O)cc(C2CC2)c1,AOCQEFZFEOZQIZ-UHFFFAOYSA-N
-rxn:5:197876:227661:227084,Cc1cc(C(F)(F)F)ccc1-c1cc2c(cc1-c1ccc(C(C)(C)C)nc1C)C(=O)N(C(C)(C)C)S2(=O)=O,FUNHLQUASOIZMC-UHFFFAOYSA-N
-rxn:5:197876:227673:222957,Cc1cc(-c2cc3c(cc2-c2cccc(C(C)(F)F)c2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc(C2CCCNC2)c1,PFGJGMSIRKRRQH-UHFFFAOYSA-N
-rxn:5:197876:227673:226330,CC(c1ccc(-c2cc3c(cc2-c2cccc(C(C)(F)F)c2F)S(=O)(=O)N(C(C)(C)C)C3=O)s1)N1CCCC1,VFBMGWARSBWUIC-UHFFFAOYSA-N
-rxn:5:197876:227673:227522,COC(=O)c1ccc(-c2cc3c(cc2-c2cccc(C(C)(F)F)c2F)S(=O)(=O)N(C(C)(C)C)C3=O)c(C)n1,XKFDBQZGNJNYMO-UHFFFAOYSA-N
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-rxn:5:197876:227713:227029,CC(C)(C#N)c1ccccc1-c1cc2c(cc1-c1cc(F)ccc1OC(F)F)S(=O)(=O)N(C(C)(C)C)C2=O,GOWXIUPEMFHUQC-UHFFFAOYSA-N
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-rxn:5:197876:227716:225439,CC(c1cccc(-c2cc3c(cc2-c2cccc(F)c2OC(F)F)S(=O)(=O)N(C(C)(C)C)C3=O)c1)N1CCCC1,ZPZHRFUPJYIXJZ-UHFFFAOYSA-N
-rxn:5:197876:227718:226920,Cc1ccc(C(C)(C)C)cc1-c1cc2c(cc1-c1ccc(OC(F)F)cc1F)S(=O)(=O)N(C(C)(C)C)C2=O,IQNVHPQKUWLUMZ-UHFFFAOYSA-N
-rxn:5:197876:227722:226068,Cc1cc(C(C)(C)C)cc(C)c1-c1cc2c(cc1-c1cccc(SC(F)(F)F)c1)S(=O)(=O)N(C(C)(C)C)C2=O,MJBCXINNLNAYEI-UHFFFAOYSA-N
-rxn:5:197876:227724:227048,CC(C)C(=O)c1ccc(-c2cc3c(cc2-c2cc(OC(F)F)ccc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1,PYKMWGKEBKCOKZ-UHFFFAOYSA-N
-rxn:5:197876:227735:226973,Cc1ncc(-c2cc3c(cc2-c2ccc4c(c2)C(C)(C)CO4)C(=O)N(C(C)(C)C)S3(=O)=O)cc1C(F)(F)F,VQAYJJTZXXGMCA-UHFFFAOYSA-N
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-rxn:5:197876:227801:227060,Cc1ccc(-c2cc3c(cc2-c2c(C(F)(F)F)ccnc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1OC(C)C,PYAZXQQRENLGMI-UHFFFAOYSA-N
-rxn:5:197876:227808:226136,Cc1cc(C#N)c(-c2cc3c(cc2-c2ccc4c(c2)CCCC4)S(=O)(=O)N(C(C)(C)C)C3=O)cc1C1CC1,QVWSWVLPLCFYMU-UHFFFAOYSA-N
-rxn:5:197876:227812:226579,CC(C)Cc1cccc(-c2cc3c(cc2-c2cc(F)cc(C(=O)N(C)C)c2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,UNDGWLUAVDFTGY-UHFFFAOYSA-N
-rxn:5:197876:227830:226064,CC1(c2ccc(-c3cc4c(cc3-c3ccc(C5CCCCC5)cc3)C(=O)N(C(C)(C)C)S4(=O)=O)cc2)CC1,MPQUPJIDKBGPJX-UHFFFAOYSA-N
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-rxn:5:197876:227904:226768,CCN(C)c1ccc(-c2cc3c(cc2-c2ccc(SC)c(C(F)(F)F)c2)C(=O)N(C(C)(C)C)S3(=O)=O)cc1,DSNSLTAOSRCWMU-UHFFFAOYSA-N
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-rxn:5:197876:227940:226891,CCc1cc(SC)cc(-c2cc3c(cc2-c2cc(C(F)(F)F)cc(F)c2F)C(=O)N(C(C)(C)C)S3(=O)=O)c1,SKYQUPFGICTSNL-UHFFFAOYSA-N
-rxn:5:197876:227943:225440,Cc1ccc(N(C)C)c(-c2cc3c(cc2-c2ccc(C4(C#N)CCCC4)cc2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,YVNOOQBZXOKIQY-UHFFFAOYSA-N
-rxn:5:197876:227947:225811,Cc1cc(C#N)cc(C)c1-c1cc2c(cc1-c1ccc(C3(C(F)(F)F)CC3)cc1)C(=O)N(C(C)(C)C)S2(=O)=O,MSRDWRNUABPDHV-UHFFFAOYSA-N
-rxn:5:197876:227977:226762,COc1cc(C)c(-c2cc3c(cc2-c2cc(SC)cc(C(F)(F)F)c2)C(=O)N(C(C)(C)C)S3(=O)=O)cc1C,WCCYYVDWQDECBJ-UHFFFAOYSA-N
-rxn:5:197876:227978:225462,CC1CCN(c2cccc(-c3cc4c(cc3-c3cc(C(C)C)ccc3F)S(=O)(=O)N(C(C)(C)C)C4=O)c2)CC1,ZPIZLEXTANNMPK-UHFFFAOYSA-N
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-rxn:5:197876:228005:226068,CSc1cc(C)c(-c2cc3c(cc2-c2c(C)cc(C(C)(C)C)cc2C)C(=O)N(C(C)(C)C)S3(=O)=O)cc1C,XVEJVALVBWBUAK-UHFFFAOYSA-N
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-rxn:4:183274:226617,Cc1nn(-c2ccccn2)cc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCOCCO2,ZNBNXBCVRLZRFO-UHFFFAOYSA-N
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-rxn:4:183730:226746,CCc1cnc(C(F)(F)F)cc1-c1ccc(OC(F)(F)F)cc1OCC(=O)N1CCOCC1,NXWASFBINUFOBS-UHFFFAOYSA-N
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-rxn:4:183831:222912,CC(C)CNS(=O)(=O)c1ccc(-c2cc(F)ccc2CN(C(=O)OC(C)(C)C)C2CC2)cc1,WBDPYPKCLZWYKJ-UHFFFAOYSA-N
-rxn:4:183865:224885,COC(=O)CN1CCCC(COc2ccccc2-c2ccccc2CN2CCC(C)CC2)C1,JLTYYXCOQNPPIQ-UHFFFAOYSA-N
-rxn:4:183873:225182,COC(=O)c1cc(OCCN2CCCCC2)cc(-c2ccnc(OC3CCCCC3)c2Cl)c1,CRNFHFYWZSTDPP-UHFFFAOYSA-N
-rxn:4:183880:223755,CC1CCN(CCCOc2ccc(-c3ccc(OCC4CN(C(=O)OC(C)(C)C)C4)c(F)c3)cc2F)CC1,UUZCVRLOWMUKMV-UHFFFAOYSA-N
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-rxn:4:183892:224885,COC(=O)c1cc(OCCN2CCC(F)(F)CC2)cc(-c2ccccc2CN2CCC(C)CC2)c1,NLWQHRULEREVEZ-UHFFFAOYSA-N
-rxn:4:183898:224488,COC1CCN(CCCOc2ccccc2-c2ccc(C(=O)N(C(C)C)C(C)C)cc2)CC1,DKIJQSDELNHGJV-UHFFFAOYSA-N
-rxn:4:183900:223072,CCCNS(=O)(=O)c1ccc(-c2cc(F)ccc2CN(C(=O)OC(C)(C)C)C(C)C)cc1,IUCUNTICWSVLMV-UHFFFAOYSA-N
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-rxn:4:183965:225222,COC(=O)c1cc(OCCN2CCCC(C)C2)cc(-c2cc(N3CCCCC3C)ncc2F)c1,MEPCKGNHHMPFTE-UHFFFAOYSA-N
-rxn:4:183965:225725,CCOC(=O)c1ccc(C#N)c(-c2cc(OCCN3CCCC(C)C3)cc(C(=O)OC)c2)c1,QORRAZYAWZORSG-UHFFFAOYSA-N
-rxn:4:183966:223500,CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(-c3cc(Cl)cc(OCC4CCN(C(=O)OC(C)(C)C)C4)c3)ccc2F)CC1,VEZILEDQLXSGMQ-UHFFFAOYSA-N
-rxn:4:183967:226337,CC(C)(C)OC(=O)N1CCC(COc2cc(-c3cc(C4CC4)cc(C#N)c3Cl)ccc2Cl)C1,PZLDSIOEEURRQX-UHFFFAOYSA-N
-rxn:4:183970:224374,CCOC(=O)C1CCN(S(=O)(=O)c2cc(-c3cc(S(=O)(=O)N4CCCC4)ccc3OC)ccc2OC)CC1,SNKNCQGYQDSRKJ-UHFFFAOYSA-N
-rxn:4:183986:225987,Cc1cc(-c2ccc(N3CCCS3(=O)=O)cc2)cc(CN(C(=O)OC(C)(C)C)C(C)C)c1F,ZSKNBYIFWVSGHT-UHFFFAOYSA-N
-rxn:4:184006:223538,COc1ccc(C(=O)N(c2ccc(-c3ccnc4c3cc(C(F)F)n4S(=O)(=O)c3ccccc3)cc2)C2C=CS(=O)(=O)C2)cc1OC,DLYDWNYEWCGZJP-UHFFFAOYSA-N
-rxn:4:184012:223085,CCCOc1cc(S(=O)(=O)N(C)C2CCCCC2)ccc1-c1cnc(Cl)c(N2CCC(O)C2)c1,VDFXLRRPCNHZKH-UHFFFAOYSA-N
-rxn:4:184023:225593,CC(C)(C)OC(=O)N1CCC(COc2cc(Cl)cc(-c3cc(F)cc(CN4CCCC4)c3)c2)CC1,WJYUQAUZZLRKNT-UHFFFAOYSA-N
-rxn:4:184027:223531,CC(C)(C)OC(=O)N1CCC(COc2ccc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)c(Cl)c3)cc2F)CC1,QUGZPACDBVKVAR-UHFFFAOYSA-N
-rxn:4:184031:225294,CCN1CCN(c2ncc(-c3cc(F)cc(OCC4CCCN(C(=O)OC(C)(C)C)C4)c3)cn2)CC1,NJVNBHIWUMUHKZ-UHFFFAOYSA-N
-rxn:4:184064:223737,Cc1ccc(CN(C(=O)OC(C)(C)C)C2CCCC2)c(-c2ccc(C(c3ccccc3)N3CCCC3)cc2)c1,OQMDLWJMVDFIIO-UHFFFAOYSA-N
-rxn:4:184085:223935,Cc1c(OCC2CCN(C(=O)OC(C)(C)C)CC2)cccc1-c1cc2cccc(F)c2n1C(=O)OC(C)(C)C,BFUXMIAKZIRSQX-UHFFFAOYSA-N
-rxn:4:184092:225304,CC(C)(C)c1ccc(C(=O)N(Cc2ccc(-c3cc(C(F)(F)F)cnc3C(C)(C)C)o2)C2CCS(=O)(=O)C2)cc1,JZOHAUFRTORIJS-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
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-rxn:4:184167:224168,CCN(C(=O)OC(C)(C)C)c1cccc(-c2ccc3cc(CN(C(=O)OC(C)(C)C)C4CC4)ccc3c2)c1,VOAMFEZJQYXTHH-UHFFFAOYSA-N
-rxn:4:184215:227309,CCC(C)c1cc(-c2ccc(CN(C(=O)OC(C)(C)C)C3CCOCC3)c3ccccc23)cc(F)n1,AZJXZLWPUWCXAO-UHFFFAOYSA-N
-rxn:4:184238:224420,Cc1cc2c(cc1-c1ccc3oc4c(c(=O)c3c1)C(c1ccc(Cl)cc1)N(CCCOC(C)C)C4=O)C(C)(C)CCC2(C)C,ZVMCTDFAJSHFJL-UHFFFAOYSA-N
-rxn:4:184304:223671,COC(=O)c1cnc(OCC(F)(F)F)c(-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)c1,DXFDQRQANXPDMW-UHFFFAOYSA-N
-rxn:4:184380:224082,CCC(C(=O)OC(C)(C)C)c1cccc(-c2c(CC(=O)OC)ccc(C(F)F)c2C#N)c1,OWBVMUWSEVPGSZ-UHFFFAOYSA-N
-rxn:4:184397:223946,CCN(C(=O)OC(C)(C)C)c1ccc(-c2ccc(C#N)c(CC(=O)OC)c2C(F)F)c(Cl)c1,ZJWCLPXWYJUWNI-UHFFFAOYSA-N
-rxn:4:184400:224168,CCN(C(=O)OC(C)(C)C)c1cccc(-c2cc(C#N)c(CC(=O)OC)c(C(F)F)c2)c1,BGKRMJLJFNORCQ-UHFFFAOYSA-N
-rxn:4:184402:224168,CCN(C(=O)OC(C)(C)C)c1cccc(-c2c(C#N)cc(CC(=O)OC)cc2C(F)F)c1,ZKLMQKZITUEYOQ-UHFFFAOYSA-N
-rxn:4:184470:224762,CCOC(=O)c1ccc(C(F)(F)F)c(C#N)c1-c1ccc(C(=O)N2CCOCC2)c(F)c1,KOSMXAUTUSAHKZ-UHFFFAOYSA-N
-rxn:4:184533:223507,COC(=O)Cc1c(OC)ccc(-c2ccccc2S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1C#N,ISDRWUJCFGVDMA-UHFFFAOYSA-N
-rxn:4:184764:224082,CCC(C(=O)OC(C)(C)C)c1cccc(-c2cc(C(=O)OC)cn2C(=O)OC(C)(C)C)c1,KGLKXCXABUZLGW-UHFFFAOYSA-N
-rxn:4:184869:224395,CCN(CC)S(=O)(=O)c1ccc(-c2cc(N3CCOCC3)cc(C(F)(F)F)c2)c(OC)c1,QDADMDOKCXKXHA-UHFFFAOYSA-N
-rxn:4:184873:223669,CCN(C)C(=O)c1cc(OC)c(OC)cc1-c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1,YEXTZZATWXVTLX-UHFFFAOYSA-N
-rxn:4:184890:222928,COC(=O)C1CN(Cc2cc(-c3cnc(N4CCC(O)CC4)nc3C)ccc2C(F)(F)F)C1,HEFDTVGHEKPDNX-UHFFFAOYSA-N
-rxn:4:184908:223835,COc1ccc(OCC(=O)N2CCCC2)c(-c2cc(S(=O)(=O)N3CCC(C)CC3)c(C)cc2F)c1,LIVFDEKJGBLQHR-UHFFFAOYSA-N
-rxn:4:184908:223840,COc1ccc(OCC(=O)N2CCCC2)c(-c2ccc(OC)c(S(=O)(=O)N3CCN(C)CC3)c2)c1,OBZSCFYOGCOOCE-UHFFFAOYSA-N
-rxn:4:184908:223954,COc1ccc(OCC(=O)N2CCCC2)c(-c2ccc(OCCN3CCC(=O)CC3)c(F)c2)c1,VUYFFFVYYKHPLT-UHFFFAOYSA-N
-rxn:4:184930:225219,CC1CCCCN1c1cc(F)c(-c2cc(C(F)(F)F)ccc2OCC(=O)N2CCOCC2)cn1,KSQJBUIAIUMZOB-UHFFFAOYSA-N
-rxn:4:184934:224720,CN(Cc1ccccc1-c1cn(C(=O)OC(C)(C)C)nc1C1CC1)C(=O)OC(C)(C)C,OLZPGGPTVIGYHH-UHFFFAOYSA-N
-rxn:4:184939:224188,CCN(C(=O)c1cc(OC)ccc1-c1ccc(C(=O)N(C(C)C)C(C)C)cc1Cl)C(C)C,FGOIIEMABUKJGQ-UHFFFAOYSA-N
-rxn:4:184964:224272,CN(C(=O)OC(C)(C)C)c1cc(-c2cc3ccncc3n2C(=O)OC(C)(C)C)cc(C(F)(F)F)c1,XAIJTSDKJLMDOB-UHFFFAOYSA-N
-rxn:4:184978:222611,COc1cc(-c2cc(S(=O)(=O)N3CCNCC3)ccc2OC)cc(N(C)C(=O)OC(C)(C)C)c1,VKSKSYSISJHRFR-UHFFFAOYSA-N
-rxn:4:185019:222637,CC(NC(=O)OC(C)(C)C)c1ccc(-c2ccc(CC(=O)N(C(C)C)C(C)C)cc2)cc1,XHFGURDXNULEKC-UHFFFAOYSA-N
-rxn:4:185057:223930,Cc1cc2c(cnn2C(=O)OC(C)(C)C)cc1-c1cc(C(F)(F)F)ccc1C(=O)N(C(C)C)C(C)C,LKXVEYCCAOFRCQ-UHFFFAOYSA-N
-rxn:4:185079:222799,Cc1cc(-c2ccc(N(C(=O)OC(C)(C)C)C(C)C)cc2)ccc1S(=O)(=O)NC(C)(C)C,UHUPBADWCYYGDQ-UHFFFAOYSA-N
-rxn:4:185087:224613,COc1ccc(-c2cccc(N(C)C(=O)OC(C)(C)C)c2)c(C(=O)N(C(C)C)C(C)C)c1,WNMBUKVVELDPEK-UHFFFAOYSA-N
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-rxn:4:185104:222725,CCNS(=O)(=O)c1ccc(-c2cccc(C(=O)N3CC(S(=O)(=O)CC(C)C)C3)c2)c(C(F)(F)F)c1,PIPDGOZQRKJWEE-UHFFFAOYSA-N
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-rxn:4:185108:222856,COc1ccc(C2CCNCC2)cc1-c1cc(S(=O)(=O)N2CCCC2)ccc1OCC1CC1,CDNCWZTYSJWNFV-UHFFFAOYSA-N
-rxn:4:185108:223006,O=S(=O)(c1ccc(OCC2CC2)c(-c2ccc(F)c(C3CCNCC3)c2)c1)N1CCCC1,MIKIVZIFNCIGBF-UHFFFAOYSA-N
-rxn:4:185115:224385,O=C(CS(=O)(=O)c1ccccc1-c1cnc(-c2ccccc2C(F)(F)F)nc1)N1CCCC(C(F)(F)F)C1,BAGWDJCZBQKLEN-UHFFFAOYSA-N
-rxn:4:185117:226031,O=C(CS(=O)(=O)c1cccc(-c2ccc(C(F)(F)F)cc2C(F)F)c1)N1CCCC(C(F)(F)F)C1,UZXLLQQMIPGVFN-UHFFFAOYSA-N
-rxn:4:185126:224249,CC1CCCN(C(=O)c2ccc(F)c(-c3cccc([N+](=O)[O-])c3CO[Si](C)(C)C(C)(C)C)c2)C1,YKXSQFVFUJGDCF-UHFFFAOYSA-N
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-rxn:4:185301:225223,Cc1ccc(-c2cnc(N3CCC(C)CC3)cc2F)cc1OCCCN1CCC(C)CC1,KAVMOBSEERTNTP-UHFFFAOYSA-N
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-rxn:4:185407:223500,COc1ccc(C2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccc(F)c(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1,KHDZDYRCYOZHJD-UHFFFAOYSA-N
-rxn:4:185428:222465,CC1CCN(C(=O)COc2ccc(C(C)(C)C)cc2-c2cc(C3CCCCC3)nc(C3CCCNC3)c2)CC1,LALGEJMCTXAMOJ-UHFFFAOYSA-N
-rxn:4:185428:223689,CCN1CCN(S(=O)(=O)c2cc(-c3cc(C(C)(C)C)ccc3OCC(=O)N3CCC(C)CC3)ccc2OC)CC1,OZKPVUXZMRFGBD-UHFFFAOYSA-N
-rxn:4:185428:223956,CC1CCN(C(=O)COc2ccc(C(C)(C)C)cc2-c2ccc(N(Cc3ccccc3)[SH](=O)=O)cc2)CC1,LARPTFOXAAULAI-UHFFFAOYSA-N
-rxn:4:185428:225908,CCOc1ccc(C(F)(F)F)cc1-c1cc(C(C)(C)C)ccc1OCC(=O)N1CCC(C)CC1,UMBGKCPKSAUXEU-UHFFFAOYSA-N
-rxn:4:185432:223685,Cc1cc(OC2CCN(C(=O)OC(C)(C)C)CC2)cc(C)c1-c1ccc(OC(F)(F)F)c(OCc2cccnc2)c1,VAUOCGURAOBGGN-UHFFFAOYSA-N
-rxn:4:185432:224368,Cc1cc(OC2CCN(C(=O)OC(C)(C)C)CC2)cc(C)c1-c1cnc(Cl)c(N(C)C(=O)OC(C)(C)C)c1,KAPGLMRURXGDDZ-UHFFFAOYSA-N
-rxn:4:185453:224271,CC(C)(C)OC(=O)n1c(-c2cccc3c2cc(OS(=O)(=O)C(F)(F)F)n3CC(F)(F)F)cc2cccnc21,LKCGQCOVMNEZDA-UHFFFAOYSA-N
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-rxn:4:185494:224420,COC(=O)c1ccc2c(c1)c(-c1cc3c(cc1C)C(C)(C)CCC3(C)C)cn2C(=O)OC(C)(C)C,XBFSYCGYSNNJRB-UHFFFAOYSA-N
-rxn:4:185509:225769,COC(=O)c1cc2c(cc1-c1cc(OCC3CC3)c(F)cc1F)CCN2C(=O)OC(C)(C)C,FBDIGVYTZWXILS-UHFFFAOYSA-N
-rxn:4:185543:222639,C[C@H](NC(=O)OC(C)(C)C)c1ccc(-c2ccc3c(c2)CCOC3CN(C)C(=O)OC(C)(C)C)cc1,SWAHCWUAGQVRON-UBDBMELISA-N
-rxn:4:185584:225091,CCCCOc1c(OC)ccc(-c2cccc(CN(C(=O)c3cc4ccccc4oc3=O)C3CCS(=O)(=O)C3)c2)c1F,HTFSUBCFTUENOG-UHFFFAOYSA-N
-rxn:4:186539:223502,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3ccc([N+](=O)[O-])c(Oc4cccc(C(F)(F)F)c4)c3)cc2F)CC1,VIOCEXFASOZGKW-UHFFFAOYSA-N
-rxn:4:186659:222808,COc1cc(C(=O)ON2C(=O)CCC2=O)ccc1-c1cc(C(=O)NC(C)C)cc([N+](=O)[O-])c1,ZXEOSRKPGRLCLS-UHFFFAOYSA-N
-rxn:4:186808:223602,Cc1cccc(C(=O)ON=Cc2ccc(-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3Cl)cc2)c1,CYMFXSXGTWXOPQ-UHFFFAOYSA-N
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-rxn:4:186939:222447,COc1ccc2c(c1-c1cc(C)ccc1OCC(=O)N1CCCC1)N=C(NC(=O)OC(C)(C)C)C2,ZOVWTOKPBDKHSR-UHFFFAOYSA-N
-rxn:4:186970:224243,COC[C@@H]1CCCN1C(=O)c1ccc(-c2cc(F)cc(C(=O)N3CCCCC3C)c2)cc1,UZHBAVUPXNQQFI-LUTIACGYSA-N
-rxn:4:186977:224616,O=C1CCN(CCOc2ccc(-c3ccccc3OCCN3CCOCC3)cc2F)CC1,NZUNDUYCUKHOHI-UHFFFAOYSA-N
-rxn:4:187000:224891,COC(=O)C1CCN(S(=O)(=O)c2ccc(-c3cc(N4CCCC4)ccc3C3CC3)cc2)C1,QYOPGHDUPRRKIP-UHFFFAOYSA-N
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-rxn:4:187011:222960,Cc1cc(-c2ccc(CN3CC[C@H](OS(C)(=O)=O)C3=O)c(F)c2)cc(C2CCNCC2)c1,SFADWGVYPPVUHJ-QHCPKHFHSA-N
-rxn:4:187011:223055,Cc1nc(N2CCNCC2)ccc1-c1ccc(CN2CC[C@H](OS(C)(=O)=O)C2=O)c(F)c1,MQZLOYZBJJAQET-FQEVSTJZSA-N
-rxn:4:187011:225641,CC1CCCN(c2cc(-c3ccc(CN4CC[C@H](OS(C)(=O)=O)C4=O)c(F)c3)ccn2)C1,SMXADYRBYUZAQK-MRNPHLECSA-N
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-rxn:4:187050:223568,CCN(C(=O)c1cc(C)cc(-c2cnc3c(ccn3[Si](C(C)C)(C(C)C)C(C)C)c2Cl)c1)C(C)C,QBDWIYWSWYMVJY-UHFFFAOYSA-N
-rxn:4:187052:223835,Cc1cc(F)c(-c2ccc(OCCN3CCCCC3)cc2F)cc1S(=O)(=O)N1CCC(C)CC1,BWXWCUHDQUVWCW-UHFFFAOYSA-N
-rxn:4:187090:223568,COC(=O)C1CC(C#N)(c2cccc(-c3cnc4c(ccn4[Si](C(C)C)(C(C)C)C(C)C)c3Cl)c2)CCC1=O,HKAPYPVOXBRJRI-UHFFFAOYSA-N
-rxn:4:187091:223692,O=C(c1ccc(-c2cc(OCc3cccnc3)c(Cl)cc2C(F)(F)F)cc1)C1CCN(C(=O)C(F)(F)F)CC1,AVDKADHDTBUIRL-UHFFFAOYSA-N
-rxn:4:187094:225186,Fc1ccc(-c2ccc(CN3CCC(F)(F)CC3)c(OC(F)(F)F)c2)cc1CN1CCSCC1,ZGMBKPNFTFDPGT-UHFFFAOYSA-N
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-rxn:4:187148:225220,CC1CCCCN1c1ncc(-c2ccc(CC(=O)N3CCCC(C(F)(F)F)C3)cc2F)cc1Cl,UCJFMTCZVDLREZ-UHFFFAOYSA-N
-rxn:4:187154:225226,CC1CCN(c2cc(-c3ccc(S(=O)(=O)CC(=O)N4CCC(F)(F)CC4)cc3)c(F)cn2)CC1,AKTPOUCLRFVTCI-UHFFFAOYSA-N
-rxn:4:187190:223823,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cccc(C4CN(C(=O)OC(C)(C)C)C4)c3)cn2)CC1,GBVNASHACIIKEX-UHFFFAOYSA-N
-rxn:4:187205:223507,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccccc2-c2ccc(Cl)cc2C2CN(C(=O)OC(C)(C)C)C2)CC1,GOTVLHLXSHYNPZ-UHFFFAOYSA-N
-rxn:4:187206:222936,CCC(=O)NS(=O)(=O)c1ccc(-c2ccc(C3CN(C(=O)OC(C)(C)C)C3)cc2Cl)cc1,IGKFSPDHQCUWMK-UHFFFAOYSA-N
-rxn:4:187218:226039,CCc1nn(S(=O)(=O)N(C)C)cc1-c1ccc(CCN2CCC(C(F)(F)F)CC2)cc1,JEDOJPOWHNCHQJ-UHFFFAOYSA-N
-rxn:4:187246:223671,COC(=O)c1cc(-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)ccc1CN1CCCC(F)(F)C1,WSNOZLNKRURNPP-UHFFFAOYSA-N
-rxn:4:187249:223810,COC(=O)c1ccc(-c2cc(C)c(S(=O)(=O)N3CCC(C)CC3)c(C)c2)c(CN2CCC(F)(F)CC2)c1,FGKYAUOLQKBOQT-UHFFFAOYSA-N
-rxn:4:187250:224488,COC(=O)c1ccc(-c2ccc(C(=O)N(C(C)C)C(C)C)cc2)c(CN2CCCC(F)(F)C2)c1,SYBQLQBZMGAMGR-UHFFFAOYSA-N
-rxn:4:187250:225724,COC(=O)c1ccc(-c2ccc(OCCN(C)C)c(F)c2)c(CN2CCCC(F)(F)C2)c1,JVVABCUQINLGJQ-UHFFFAOYSA-N
-rxn:4:187250:225936,COC(=O)c1ccc(-c2cc(C(F)(F)F)cnc2C(C)C)c(CN2CCCC(F)(F)C2)c1,FJQGZMPTQXWFEJ-UHFFFAOYSA-N
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-rxn:4:187276:228190,Cc1cc(N(C)C)ncc1-c1cc(C(F)(F)F)cc(S(=O)(=O)N2CCC(C(F)(F)F)CC2)c1,AFJGCKYOWGZBQF-UHFFFAOYSA-N
-rxn:4:187295:223885,Cc1ccc(C(=O)N(C(C)C)C(C)C)c(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3)c1,HOPNZHOMBAYUDY-UHFFFAOYSA-N
-rxn:4:187297:223954,COC1CCN(CCc2ccc(-c3ccc(OCCN4CCC(=O)CC4)c(F)c3)cc2)CC1,MQEISADGUYOYQI-UHFFFAOYSA-N
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-rxn:4:187302:224251,CC1CCN(CCOc2ccc(-c3ccc(C(=O)N4CCCC(C)C4)cc3F)cc2F)CC1,DTLBVMBUWGQHNU-UHFFFAOYSA-N
-rxn:4:187306:222944,Cc1cc(-c2ccc(S(=O)(=O)NC3CC3)cc2F)c(OCC2CCCCC2)c([N+](=O)[O-])c1,BHFBBOSSVKGQQN-UHFFFAOYSA-N
-rxn:4:187377:223007,CC1CCN(C(=O)CS(=O)(=O)c2ccc(-c3cc(F)cc(C4CCNCC4)c3)cc2)CC1,PCQHPTFMBHYPGE-UHFFFAOYSA-N
-rxn:4:187389:223684,Cc1cc(CC(=O)N2CCCC(C(F)(F)F)C2)ccc1-c1cc(OCc2cccnc2)ccc1OC(F)(F)F,FJBGLQRVROBFCC-UHFFFAOYSA-N
-rxn:4:187399:224100,CC1CCN(CCCc2ccccc2-c2ccccc2OCCN2CCC(C)CC2)CC1,VROYODYMZQMSMD-UHFFFAOYSA-N
-rxn:4:187406:222818,COC(=O)c1cc(-c2ccc(OCC(=O)N3CCC(C)CC3)c(C)c2)c(F)cc1NC(C)=O,VWXFKSLSEILWGJ-UHFFFAOYSA-N
-rxn:4:187415:224076,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3ccc4c(ccn4[Si](C)(C)C(C)(C)C)c3)o2)CC1,OLHLFZUMXOLDGI-UHFFFAOYSA-N
-rxn:4:187427:222584,COC(=O)c1cc(-c2ccc(OCCCN3CCNCC3)c(F)c2)ccc1CN1CCCC(C)C1,SEVFZUMNAMGRAG-UHFFFAOYSA-N
-rxn:4:187427:224321,COC(=O)c1cc(-c2cccc(S(=O)(=O)N3CCC(C)CC3)c2)ccc1CN1CCCC(C)C1,XXSJQGBXSSXHRR-UHFFFAOYSA-N
-rxn:4:187427:225226,COC(=O)c1cc(-c2cc(N3CCC(C)CC3)ncc2F)ccc1CN1CCCC(C)C1,PGNBHRYCKAQGJL-UHFFFAOYSA-N
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-rxn:4:187437:223526,Cc1ccc(C2CN(C(=O)OC(C)(C)C)C2)c(-c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cc2)c1,KTYDABLJONFMQG-UHFFFAOYSA-N
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-rxn:4:187973:223069,CCCS(=O)(=O)Nc1cccc(-c2ccccc2C(=O)N2C3CCC2CC(S(=O)(=O)c2ccccc2)C3)c1,BFXMSBQTBUFFRG-UHFFFAOYSA-N
-rxn:4:188029:225804,CCOC(=O)Cn1c2c(sc1=O)C1c3cc(-c4ccc(C(=O)N5CCC5)c(F)c4)ccc3OCC1CS2,NWDUGVWDMJAUHR-UHFFFAOYSA-N
-rxn:4:188595:223640,CCOc1c(Cl)cc(-c2cc(F)cc3c2C(=O)C2C(C)(C)C2(OCC)C3=O)cc1[N+](=O)[O-],KEOVPYZNBZVTMC-UHFFFAOYSA-N
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-rxn:4:189507:224328,CC1CCCCN1S(=O)(=O)c1cccc(-c2cc(C(F)(F)F)cc(S(=O)(=O)N3CCC3)c2)c1,MQFJZIJDTIZNNC-UHFFFAOYSA-N
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-rxn:4:189666:223583,COC(=O)c1ccc2c(-c3cc(/C=N/[S@](=O)C(C)(C)C)ccc3Cl)cn(C(=O)OC(C)(C)C)c2c1,CPBHPAZZWYQWPX-FEHIYNMDSA-N
-rxn:4:189835:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cc(CN2CCCC2)cc(C(F)(F)F)c1,OMPBVPNTABRBEE-UHFFFAOYSA-N
-rxn:4:189847:224392,CC(=O)N(c1ccc(-c2cc(S(=O)(=O)N3CCOCC3)ccc2C)cc1)C1C=CS(=O)(=O)C1,HMQATZNOZXDRGI-UHFFFAOYSA-N
-rxn:4:189867:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3ccc(S(=O)(=O)N4CCCC4)cc3C(F)(F)F)ccn2)CC1,KRYPBJQXAAJUIK-UHFFFAOYSA-N
-rxn:4:189926:222624,CC(C)Cc1cc(-c2ccc(CS(=O)(=O)N3CCOCC3)cc2)cc(C2CCNCC2)n1,DSGBOCXSTULRDA-UHFFFAOYSA-N
-rxn:4:189938:224396,COC1CCN(S(=O)(=O)c2cccc(-c3ccc(S(=O)(=O)N4CCOCC4)c(C)c3)c2)C1,IXIOBDANQRMMDG-UHFFFAOYSA-N
-rxn:4:189952:223522,COc1c(Cl)cc(C(=O)N2CCOCC2)cc1-c1cc(F)cc(N2CCC(O[Si](C)(C)C(C)(C)C)CC2)c1,VVDNXDHMIRTJSJ-UHFFFAOYSA-N
-rxn:4:189973:223993,Cc1cc(-c2cc(C(F)(F)F)cc(S(=O)(=O)N3CCOCC3)c2)ccc1S(=O)(=O)N1CCN(C)CC1,LCOCDONFWUSPCM-UHFFFAOYSA-N
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-rxn:4:190019:224485,CC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2cccc(C(=O)N(C)C3CCS(=O)(=O)C3)c2)c1,GTHANJNAEJOUDK-UHFFFAOYSA-N
-rxn:4:190156:222699,COc1ccc(S(=O)(=O)N2CCC(=O)CC2)cc1-c1ccc(C2CCCNC2)c(C(F)(F)F)c1,VFSDVGLCJQUCSE-UHFFFAOYSA-N
-rxn:4:190166:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(S(=O)(=O)N2CCCCC2)cc1C(F)(F)F,DUNILWOSJYKAOV-UHFFFAOYSA-N
-rxn:4:190166:222957,Cc1cc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2C(F)(F)F)cc(C2CCCNC2)c1,GXCMIZUITMTENG-UHFFFAOYSA-N
-rxn:4:190214:222826,COc1cc(S(=O)(=O)N2CCCCC2)ccc1-c1cccc(S(=O)(=O)N2CCNCC2)c1,DERJFZMQWUKENZ-UHFFFAOYSA-N
-rxn:4:190276:225901,Cc1nn(C(=O)OC(C)(C)C)cc1-c1ccc(C(=O)N(C)C2(C)CCS(=O)(=O)C2)cc1,JDTLJRCSVWNBQQ-UHFFFAOYSA-N
-rxn:4:190307:223835,Cc1cc(F)c(-c2ccc(Cl)c(CCN3CCC(C)CC3)c2)cc1S(=O)(=O)N1CCC(C)CC1,XMWPMGGCYRHICW-UHFFFAOYSA-N
-rxn:4:190315:223998,CC1CCN(CCc2ccc(F)c(-c3ccc(S(=O)(=O)N4CCC(C)CC4)c(F)c3)c2)CC1,SXVDOLQXMREGTH-UHFFFAOYSA-N
-rxn:4:190322:224355,CCS(=O)(=O)N1CCC(c2ccc(-c3ccc(N4CCC5(CC4)OCCO5)nc3)cc2)CC1,JWJLHVJYFOARRR-UHFFFAOYSA-N
-rxn:4:190322:224460,CCS(=O)(=O)N1CCC(c2ccc(-c3cc(C4CC4)cc(N4CCCCC4)c3)cc2)CC1,CYRALVMVJYXYLR-UHFFFAOYSA-N
-rxn:4:190374:225177,COc1ccc(-c2ccc(CN3CCSCC3)c(F)c2)cc1S(=O)(=O)N1CCCCC1C,VQDWMAJARIAOIO-UHFFFAOYSA-N
-rxn:4:190379:223834,COc1cc(S(=O)(=O)N2CCCC(C)C2)ccc1-c1cc(C)c(S(=O)(=O)N2CCN(C)CC2)c(C)c1,PPSQBICQWNTGJU-UHFFFAOYSA-N
-rxn:4:190379:225295,COc1cc(S(=O)(=O)N2CCCC(C)C2)ccc1-c1ccccc1S(=O)(=O)N1CCCC1,RATGEJJSJQGDDU-UHFFFAOYSA-N
-rxn:4:190379:225328,CCCSc1ncc(C(F)(F)F)cc1-c1ccc(S(=O)(=O)N2CCCC(C)C2)cc1OC,MXTQIZBDGZNZFJ-UHFFFAOYSA-N
-rxn:4:190381:222920,COC1CCCN(S(=O)(=O)c2cc(C)cc(-c3ccc(S(=O)(=O)NC4CC4)cc3C)c2)C1,MWPHIOFZAFBIKW-UHFFFAOYSA-N
-rxn:4:190435:222741,O=C(c1ccc(-c2cc(C3CC3)nc(C3CCCNC3)c2)o1)N1CCC(c2ccccc2)S(=O)(=O)CC1,BFUVYVJQYLGCSC-UHFFFAOYSA-N
-rxn:4:190451:222630,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1cc(C2CCC2)nc(C2CCNCC2)c1,NGUOPFVFOUFGOO-UHFFFAOYSA-N
-rxn:4:190451:224991,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1cc(C2CC2)nc(N2CCCC2)c1,VVHVFEXFBSWQFS-UHFFFAOYSA-N
-rxn:4:190474:224075,Cc1cc(C)c(S(=O)(=O)N(C)C2CCCCC2)cc1-c1ccc2ccn([Si](C)(C)C(C)(C)C)c2c1,VUJMCVMQFQPWIG-UHFFFAOYSA-N
-rxn:4:190549:222523,CC(C)(C)NS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)nc3ccc(OC(F)(F)F)cc23)c(C(F)(F)F)c1,HOSYLBTVMFVKHN-UHFFFAOYSA-N
-rxn:4:190823:223588,Cc1cc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)C3=O)cnc1N1CCN(C(=O)OC(C)(C)C)CC1,MZKYIWJMDRMUKO-UHFFFAOYSA-N
-rxn:4:190830:224609,CC(C)N(C(=O)c1ccncc1-c1cccc2c1C(=O)N(C(=O)OC(C)(C)C)C2)C(C)C,VXOWJUHEFMWPRO-UHFFFAOYSA-N
-rxn:4:190833:223649,CC(C)(C)OC(=O)N1CCN(c2cccc(-c3ccc(Cl)c4c3C(=O)N(C(=O)OC(C)(C)C)C4)c2)CC1,DUVOYMZVYJHSSX-UHFFFAOYSA-N
-rxn:4:190859:222821,CC(C)(C)NS(=O)(=O)c1cc(-c2ccc3c(c2Cl)CCN3C(=O)OC(C)(C)C)ccc1F,HRYXQOIBWMLLNN-UHFFFAOYSA-N
-rxn:4:190859:222829,CNS(=O)(=O)c1ccc(-c2ccc3c(c2Cl)CCN3C(=O)OC(C)(C)C)c(C(F)(F)F)c1,HEQJYXNQRCWNMW-UHFFFAOYSA-N
-rxn:4:190889:222519,Cc1cccc2c1c(-c1cc(C(F)(F)F)ccc1NC(=O)OC(C)(C)C)cn2C(=O)OC(C)(C)C,LCUGRSWSMTYUSA-UHFFFAOYSA-N
-rxn:4:190899:224168,CCN(C(=O)OC(C)(C)C)c1cccc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CCO3)c1,DGJPISWUUQIWIM-UHFFFAOYSA-N
-rxn:4:190903:223659,CC(C)(C)OC(=O)N1CCC(Cn2cc(-c3cccc4c3N(C(=O)OC(C)(C)C)CCO4)cn2)CC1,BYFDEMBAHGNUFS-UHFFFAOYSA-N
-rxn:4:190926:222787,CC(C)(C)OC(=O)Nc1ccc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CCC3=O)c(Cl)c1,UIAPSPSRPMLHOR-UHFFFAOYSA-N
-rxn:4:190932:223946,CCN(C(=O)OC(C)(C)C)c1ccc(-c2ccc3c(c2)C(=O)CN(C(=O)OC(C)(C)C)C3)c(Cl)c1,CEYBZFZMWYUJLA-UHFFFAOYSA-N
-rxn:4:190952:223775,COc1ccc2c(c1)c(-c1ccc3c(c1)CCN(C(=O)OC(C)(C)C)C3)cn2C(=O)OC(C)(C)C,BRQQDWLWXDEQDU-UHFFFAOYSA-N
-rxn:4:190953:222821,CC(C)(C)NS(=O)(=O)c1cc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3)ccc1F,JSNINXLQVIYJFO-UHFFFAOYSA-N
-rxn:4:190959:222637,CC(NC(=O)OC(C)(C)C)c1ccc(-c2cc3c(s2)CCCN(C(=O)OC(C)(C)C)C3)cc1,POMJADGHVAKRLR-UHFFFAOYSA-N
-rxn:4:190960:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2ccc3c(c2)C(C)N(C(=O)OC(C)(C)C)C3)cc1,YTFPRGXVKSNNOE-UHFFFAOYSA-N
-rxn:4:190977:222795,CC(C)(C)OC(=O)N1Cc2cc(-c3ccc(NC(=O)N4CCOCC4)cc3)ccc2C(F)(F)C1,CISUFTZZPHAGJR-UHFFFAOYSA-N
-rxn:4:190977:222821,CC(C)(C)NS(=O)(=O)c1cc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3(F)F)ccc1F,FHPIBNZCIUOYCD-UHFFFAOYSA-N
-rxn:4:191006:224726,CCN(CC)S(=O)(=O)c1ccc(-c2ccc(S(=O)(=O)N3C4CCC3CC(OC)C4)cc2)cc1C,VJLBSRARTVAROK-UHFFFAOYSA-N
-rxn:4:191008:222878,CC(C)(C)NC(=O)c1cc(-c2ccc3c(c2)C(=O)N(C(=O)OC(C)(C)C)C3(C)C)ccc1F,CJTWZGAYGMBZBV-UHFFFAOYSA-N
-rxn:4:191032:225527,CCN(CC)C(=O)c1ccc(-c2cc3c(s2)C(C)(C)N(C(=O)OC(C)(C)C)CC3)cc1,HAMJJAJXMGGVBD-UHFFFAOYSA-N
-rxn:4:191042:225877,CC(C)(C)OC(=O)N1CC2(Cc3ccc(-c4ccc(Cl)cc4N4CCOCC4)cc3C2=O)C1,UFJKUJOJAXAPMB-UHFFFAOYSA-N
-rxn:4:191088:223899,COc1cc(C(=O)N(C(C)C)C(C)C)ccc1-c1ccc2c(c1)C(C)(C)CCN2C(=O)OC(C)(C)C,ZMVHKKSSGYWDCU-UHFFFAOYSA-N
-rxn:4:191089:222751,Cc1ccc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3(C)C)cc1NC(=O)OC(C)(C)C,RIAIZYGZBIMRKJ-UHFFFAOYSA-N
-rxn:4:191089:222945,CC(C)NS(=O)(=O)c1ccc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3(C)C)cc1F,MRJKJLNHFKCVTD-UHFFFAOYSA-N
-rxn:4:191089:223898,CC(C)N(C(=O)OC(C)(C)C)c1ccc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3(C)C)cc1,PRNRZBAANXIHMU-UHFFFAOYSA-N
-rxn:4:191092:222752,Cc1cc(NC(=O)OC(C)(C)C)ccc1-c1ccc2c(c1)CN(C(=O)OC(C)(C)C)C(C)(C)C2,QONWASBFNITNRD-UHFFFAOYSA-N
-rxn:4:191092:223080,CC(C)NS(=O)(=O)c1ccc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)C(C)(C)C3)cc1,QIOOQZNCAPUWTD-UHFFFAOYSA-N
-rxn:4:191092:224743,CC(C)(C)OC(=O)c1cc(F)c(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)C(C)(C)C3)c(F)c1,UXMIWPQVKKNNGX-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:4:191097:226288,COc1ccc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)cc1OC(C)C,SWSDMDYCKREKOB-UHFFFAOYSA-N
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-rxn:4:203731:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1ccc(C(=O)N2CC(N3CCCC3)C2)o1,SXXTWRDMROYIKN-UHFFFAOYSA-N
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-rxn:4:203880:222656,CS(=O)(=O)N1CCCC(Cc2cccc(-c3ccc(C(=O)NC4CCCCC4)c(F)c3)n2)C1,RDJWDCCGXDRQIR-UHFFFAOYSA-N
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-rxn:4:203891:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1cccc(C(=O)N2CC(N3CCCC3)C2)c1,PZFWAJKAPCISMA-UHFFFAOYSA-N
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-rxn:4:204036:225900,CN(C)Cc1ccc([N+](=O)[O-])cc1-c1cc(C(F)(F)F)ccc1N1CCC(N(C)C)CC1,XLWVWJMXZVLFJQ-UHFFFAOYSA-N
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-rxn:4:204169:225986,CC1CN(Cc2ccc(-c3ccccc3N3CCCS3(=O)=O)cc2N2CCCCC2)CCO1,VXRKPIHFIBUTKK-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:4:207069:223997,Cc1cc(-c2ccc(C3CC3)cc2N2CCN(C)CC2)cc(C)c1S(=O)(=O)N1CCOCC1,HTUMYMCYNXGSMN-UHFFFAOYSA-N
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-rxn:4:211060:224374,COc1ccc(S(=O)(=O)N2CCCC2)cc1-c1ccc2c(c1)CCCC2N1CCN(C)CC1,HCGCCERMDLACMH-UHFFFAOYSA-N
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-rxn:4:211089:224431,Cc1cccc(CN(C(C)C)C(C)C)c1-c1ccc2c(c1)N1CCCCCC1=C(C#N)S2(=O)=O,UPSPZUVKBVHIDG-UHFFFAOYSA-N
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-rxn:4:212839:223980,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4cccc(S(=O)(=O)N5CCN(CC)CC5)c4)ccn23)CC1,FGZUZGCGAGJZKY-UHFFFAOYSA-N
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-rxn:4:213041:225261,CCN(CC)S(=O)(=O)c1cccc(-c2cnc(OC3CCN(C(=O)OC(C)(C)C)CC3)cn2)c1,VFYDDFKOENOTAK-UHFFFAOYSA-N
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-rxn:4:213052:225518,CCCCCOc1ncc(C)cc1-c1cnc(OCC2CCN(C(=O)C3CC(F)(F)C3)CC2)nc1,RMTNYVZMKNGLSS-UHFFFAOYSA-N
-rxn:4:213053:223812,O=C(C1CC(F)(F)C1)N1CCCC(COc2ncc(-c3cc(F)cc(CN4CCC5(CC4)OCCO5)c3)cn2)C1,ANFXQXJDWIOJRZ-UHFFFAOYSA-N
-rxn:4:213062:225191,O=C(Cc1ccc(F)cc1F)N1CCC(Oc2ncc(-c3cnc(OC4CCCCC4)cc3F)cn2)CC1,NFYVYLWCWGCIQR-UHFFFAOYSA-N
-rxn:4:213095:223687,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3cc(C#N)ccc3N3CCN(C(=O)OC(C)(C)C)CC3)cn2)CC1,OZRAVPNFWCCRPC-UHFFFAOYSA-N
-rxn:4:213095:224742,COc1cc(OC)c(C2OCCO2)cc1-c1cc(C#N)ccc1N1CCN(C(=O)OC(C)(C)C)CC1,VVANWAFYCJUIKP-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:4:213131:226232,CN(C)CCOc1cccc(-c2cnc(OCC3CCN(C(=O)C(C)(C)C)CC3)nc2)c1,UZTRZLCUIQMVPR-UHFFFAOYSA-N
-rxn:4:213131:226981,CCCCCCc1ccsc1-c1cnc(OCC2CCN(C(=O)C(C)(C)C)CC2)nc1,BHLXYSUDVBWTGQ-UHFFFAOYSA-N
-rxn:4:213134:224400,CCC(C)(C)C(=O)N1CCC(Oc2ncc(-c3ccc(N4CCOCC4)c(C(F)(F)F)c3)cn2)CC1,FBAKRHAMTBDOHT-UHFFFAOYSA-N
-rxn:4:213134:225313,CCC(C)(C)C(=O)N1CCC(Oc2ncc(-c3ccc(N4CCN(C)CC4)nc3F)cn2)CC1,LAEJCTASKRKYFH-UHFFFAOYSA-N
-rxn:4:213141:224161,CC(C)(C)OC(=O)N1CCN(c2ccc([N+](=O)[O-])c(-c3ccc4c(c3)CN(C(=O)OC(C)(C)C)C4)c2)CC1,LZJHUPNPLAJZDY-UHFFFAOYSA-N
-rxn:4:213147:224377,CN1CCN(S(=O)(=O)c2ccc(-c3cncc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c3)cc2)CC1,TYJBFLJQJDJYPF-UHFFFAOYSA-N
-rxn:4:213150:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)nc1,ZXBYAZPBMHGUTD-UHFFFAOYSA-N
-rxn:4:213150:222847,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(-c3cc(C#N)cc(C4CCCNC4)c3)cn2)CC1,XEHFYGNVRXTSHZ-UHFFFAOYSA-N
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-rxn:4:213162:225570,COC(=O)c1ccc(C2CC2)c(-c2cnc(OC3CCN(S(=O)(=O)c4ccc(OC)c(F)c4)CC3)nc2)c1,SWWLSBPTIWXJLB-UHFFFAOYSA-N
-rxn:4:213184:223812,Cc1cnc(OC2CCN(C(=O)Cc3ccc(F)cc3-c3cc(F)cc(CN4CCC5(CC4)OCCO5)c3)CC2)nc1,JXQONSYODMQHOX-UHFFFAOYSA-N
-rxn:4:213192:223185,CC(=O)N1CCN(c2cc(C(=O)OC(C)(C)C)cc(-c3cnc(C4CNCCO4)nc3)n2)CC1,AZICVSHZPFXRBG-UHFFFAOYSA-N
-rxn:4:213195:225549,CCCCC(=O)c1cc(-c2cnc(OCC3CCN(C(=O)C4CCOCC4)CC3)nc2)ccc1F,JFQOHWCMNGQDGI-UHFFFAOYSA-N
-rxn:4:213196:223812,O=C(C1CCOCC1)N1CCCC(COc2ncc(-c3cc(F)cc(CN4CCC5(CC4)OCCO5)c3)cn2)C1,UIFDYJPYJUQWJD-UHFFFAOYSA-N
-rxn:4:213213:223588,Cc1cc(-c2cccc(N(C)C3CCN(C(=O)OC(C)(C)C)CC3)n2)cnc1N1CCN(C(=O)OC(C)(C)C)CC1,KJPFQWLTRJTERV-UHFFFAOYSA-N
-rxn:4:213242:222719,O=[N+]([O-])c1cccc(C2CC(c3ccc(-c4cc(C5CCCNC5)nc(C(F)(F)F)c4)cc3)=NN2S(=O)(=O)c2ccccc2)c1,OCLVMUXYPQKBKG-UHFFFAOYSA-N
-rxn:4:213258:223823,Cc1nn(CC2CCCN(C(=O)OC(C)(C)C)C2)c(C)c1-c1cnn(C2CCN(C(=O)OC(C)(C)C)CC2)c1,XGVRANYSBFLGSY-UHFFFAOYSA-N
-rxn:4:213258:226715,Cc1nn(CC2CCCN(C(=O)OC(C)(C)C)C2)c(C)c1-c1cnn(C(=O)OC(C)(C)C)c1,NLXBPXWJUSGYHL-UHFFFAOYSA-N
-rxn:4:213281:228045,Cn1ccc2ncc(-c3cccnc3OC3CCN(C(=O)C4CCN(S(C)(=O)=O)CC4)CC3)cc21,JTOAQGZIEZNASI-UHFFFAOYSA-N
-rxn:4:213281:228048,Cn1ccc2cc(-c3cccnc3OC3CCN(C(=O)C4CCN(S(C)(=O)=O)CC4)CC3)cnc21,RYLGLUKAFRGLMX-UHFFFAOYSA-N
-rxn:4:213281:228050,Cn1ccc2cncc(-c3cccnc3OC3CCN(C(=O)C4CCN(S(C)(=O)=O)CC4)CC3)c21,IGMUPJZQHXFOEZ-UHFFFAOYSA-N
-rxn:4:213289:223528,CC(C)(C)OC(=O)N1CCC(c2nc(C(C)(C)C)ncc2-c2ccc(F)c(CN3CCN(C(=O)OC(C)(C)C)CC3)c2)CC1,FNKUXUJDSKMXNO-UHFFFAOYSA-N
-rxn:4:213289:223670,CC(C)(C)OC(=O)N1CCC(c2nc(C(C)(C)C)ncc2-c2cccnc2N2CCN(C(=O)OC(C)(C)C)CC2)CC1,WDYHGSZYQQCTHZ-UHFFFAOYSA-N
-rxn:4:213289:223773,COc1cccc2cc(-c3cnc(C(C)(C)C)nc3C3CCN(C(=O)OC(C)(C)C)CC3)n(C(=O)OC(C)(C)C)c12,VHDGFPCGQFJDRA-UHFFFAOYSA-N
-rxn:4:213289:225420,CCOc1c(-c2cnc(C(C)(C)C)nc2C2CCN(C(=O)OC(C)(C)C)CC2)ccc2ccccc12,GFLSDPPPEXHKBE-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:4:213412:227450,CC(C)CS(=O)(=O)C1CCN(C(=O)c2c3ccc(-c4cccc(C5CC5(F)F)c4)cc3nn2C)CC1,SMOZBKFOIKWAGJ-UHFFFAOYSA-N
-rxn:4:213412:228371,CC(C)CS(=O)(=O)C1CCN(C(=O)c2c3ccc(-c4ccc(F)c(C#N)c4F)cc3nn2C)CC1,PDLAZAVAYWCNTN-UHFFFAOYSA-N
-rxn:4:213428:222889,CC(C)(C)OC(=O)N1CCC[C@H]1c1ncc(-c2ccc3cc(-c4cc(F)cc(CN5CCNCC5)c4)ccc3c2)[nH]1,XRFGOQUBCDEEFX-PMERELPUSA-N
-rxn:4:213453:225632,CC(C)C1N=C2c3ccccc3N=C(SCC(=O)c3ccc(-c4cccc(N5CCN(C)CC5)c4)cc3)N2C1=O,QUMKKWWXAGGFJW-UHFFFAOYSA-N
-rxn:4:213659:224170,CCOC(=O)C1CCCN(c2ncc(-c3ccc(OCCCN4CCCC4)c(Cl)c3)cn2)C1,XBSPTNBZBGGDOH-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:4:213663:223562,CC(C)(C)OC(=O)N1CCC(Cc2ccc(-c3cnc(C4CN(C(=O)OC(C)(C)C)C4)nc3)cc2)CC1,CLVNSGYNFSOWQC-UHFFFAOYSA-N
-rxn:4:213721:223937,CC(C)(C)OC(=O)N1CCC(n2ccc(-c3cc4cccc(Cl)c4n3C(=O)OC(C)(C)C)n2)C1,FTKRARMRFFRMAK-UHFFFAOYSA-N
-rxn:4:213755:223886,CC(C)(C)OC(=O)N1CCN(c2nc(-c3cccc4c3CCN(C(=O)OC(C)(C)C)C4)cs2)CC1,QTAMSIAOLMVFSD-UHFFFAOYSA-N
-rxn:4:213766:222813,CC(C)(C)OC(=O)Nc1ncc(-c2coc(N3CCN(C(=O)OC(C)(C)C)CC3)n2)cc1Cl,GTTHAJGSFQKVRB-UHFFFAOYSA-N
-rxn:4:213766:225758,CC(C)(C)OC(=O)c1cnccc1-c1coc(N2CCN(C(=O)OC(C)(C)C)CC2)n1,ZBNZBQWTZXPLTA-UHFFFAOYSA-N
-rxn:4:213793:223899,COc1cc(C(=O)N(C(C)C)C(C)C)ccc1-c1ccc(S(=O)(=O)c2nnn(-c3cc(C(F)(F)F)ccc3Cl)c2C)cc1,IJCFAQGAGPACGH-UHFFFAOYSA-N
-rxn:4:213798:225898,CC(C)(C)OC(=O)N1CCOC(c2cnc(-c3cnn(CCN4CCOCC4)c3)cn2)C1,YOASHDPVUYCEAR-UHFFFAOYSA-N
-rxn:4:213802:225684,Cc1nc(C2CCOCC2)ccc1-c1cccnc1OC1CCN(S(=O)(=O)N(C)C)CC1,ZSIDVDYROSXYOW-UHFFFAOYSA-N
-rxn:4:213802:225831,Cc1cc(-c2cccnc2OC2CCN(S(=O)(=O)N(C)C)CC2)cnc1N1CCOCC1,GMRCWMSGRSXXKR-UHFFFAOYSA-N
-rxn:4:213802:226424,CC1CCCN(c2csc(-c3cccnc3OC3CCN(S(=O)(=O)N(C)C)CC3)c2)C1,AKJMYWXBMYUHPT-UHFFFAOYSA-N
-rxn:4:213805:225877,CC(C)(C)OC(=O)N1CCOC(c2ncc(-c3ccc(Cl)cc3N3CCOCC3)cn2)C1,NWYWGDSEVVSBEN-UHFFFAOYSA-N
-rxn:4:213820:223812,O=C(c1cncc(-c2cc(F)cc(CN3CCC4(CC3)OCCO4)c2)c1)N1CCC(Oc2ncccc2Cl)CC1,SCNRPKRGWVDJRF-UHFFFAOYSA-N
-rxn:4:213834:224619,CC(C)(C)OC(=O)N1CCCC(n2cc(-c3ccc(OCCN4CCCC4)c(F)c3)cn2)C1,BLFGQTDNRQJIER-UHFFFAOYSA-N
-rxn:4:213849:226231,CCCCOc1ncc(-c2cnc(OC3CCN(C(=O)C4CCCO4)CC3)nc2)cc1C,FIFVGCDCNTUZFS-UHFFFAOYSA-N
-rxn:4:213869:222900,CC(C)(C)OC(=O)NCc1cc(-c2ccc(S(=O)(=O)N3CCC(Oc4ncc(F)cn4)CC3)cc2)cs1,HQCKRJPPDJNHJB-UHFFFAOYSA-N
-rxn:4:213880:222546,CC(C)(C)OC(=O)N1CCN(c2cnccc2-c2ccc(OCCNC3CCCCC3)c(F)c2)CC1,XJPSGHFVJIUWIX-UHFFFAOYSA-N
-rxn:4:213884:225910,CCOc1cc(C(F)(F)F)ccc1-c1nccc(C2CCN(C(=O)OC(C)(C)C)CC2)n1,XDQDRYJWAFTJGH-UHFFFAOYSA-N
-rxn:4:213886:224291,CC(C)(C)OC(=O)N1CCC(c2cncc(-c3ccc(OCCN4CCOCC4)c(F)c3)n2)CC1,KZCIJKXOVJFZEE-UHFFFAOYSA-N
-rxn:4:213889:225827,CN1CCN(c2cc(-c3cc(C4CCCN(C(=O)OC(C)(C)C)C4)ncn3)ccn2)CC1,KRMAJVJMOMVWDX-UHFFFAOYSA-N
-rxn:4:213894:222719,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cc(C4CCCNC4)nc(C(F)(F)F)c3)cn2)CC1,PGUDQHNCDWSBDT-UHFFFAOYSA-N
-rxn:4:213901:224719,CC(C)c1nn(C(=O)OC(C)(C)C)cc1-c1ccc(Cl)nc1N1CCN(C(=O)OC(C)(C)C)CC1,ISKVARMPKGIJBM-UHFFFAOYSA-N
-rxn:4:213901:225875,CC(C)(C)OC(=O)N1CCN(c2nc(Cl)ccc2-c2ccc(N3CCOCC3)cc2Cl)CC1,VQUGOXWFTAREQJ-UHFFFAOYSA-N
-rxn:4:213901:225980,CC(C)(C)OC(=O)N1CCN(c2nc(Cl)ccc2-c2cc(N3CCOCC3)ncc2F)CC1,NENCOIUOUUDEQK-UHFFFAOYSA-N
-rxn:4:213910:227797,O=[N+]([O-])c1cc(F)c(Cl)cc1-c1cccnc1OC1CCN(S(=O)(=O)N2CCOCC2)C1,WQTMESUDAKTCKE-UHFFFAOYSA-N
-rxn:4:213910:228297,CCOC(=O)c1ccc(-c2cccnc2OC2CCN(S(=O)(=O)N3CCOCC3)C2)s1,GNSBUBQJJGGLKF-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:4:213942:224276,Cc1nn(C2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1cn(C(=O)OC(C)(C)C)c2cccnc12,GWMBESGQDYKTKY-UHFFFAOYSA-N
-rxn:4:213942:225665,Cc1nn(C2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccc(Cl)cc1N1CCCCC1,GSAWHHKCNFQLRT-UHFFFAOYSA-N
-rxn:4:213954:223953,COCCN1CCN(c2cc(F)cc(-c3cnccc3OC3CCN(C4CCN(C5CC5)C4=O)C3)c2)CC1,GDFDUDMNXBWYIX-UHFFFAOYSA-N
-rxn:4:213972:222916,O=C(NC1=NCCS1)c1cccc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)c(C(F)(F)F)c2)c1,PXZAKSFSKQGPRE-UHFFFAOYSA-N
-rxn:4:213974:226021,CC(C)(C)OC(=O)N1CCCN(c2cccc(-c3cc(Cl)ccc3OCC(F)(F)F)n2)CC1,WFEYLNPQQWXFON-UHFFFAOYSA-N
-rxn:4:213980:223588,Cc1cc(-c2ccnc(C3CCN(C(=O)OC(C)(C)C)CC3C)n2)cnc1N1CCN(C(=O)OC(C)(C)C)CC1,GNOUEZXVNMGKAO-UHFFFAOYSA-N
-rxn:4:213990:223685,Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1-c1ccc(OC(F)(F)F)c(OCc2cccnc2)c1,PWECEMWLQRDGLZ-UHFFFAOYSA-N
-rxn:4:214011:223679,CCN1CCN(S(=O)(=O)c2c(C)cc(-c3ccc(S(=O)(=O)n4nc(C)c(S(=O)(=O)N5CCCC5)c4C)cc3)cc2C)CC1,IWNWOTNQIRLHHI-UHFFFAOYSA-N
-rxn:4:214012:224319,Cc1cc(S(=O)(=O)N2CCCCC2)ccc1-c1ccccc1S(=O)(=O)N1CCC(S(=O)(=O)c2nccn2C)CC1,ICOAKDQMCCWMHU-UHFFFAOYSA-N
-rxn:4:214140:223784,CCN1CCN(CCOc2ccc(-c3ccc4c(c3)sc(=NC(=O)c3ccc([N+](=O)[O-])s3)n4CC)cc2F)CC1,UCSNRECLKHCJEU-UHFFFAOYSA-N
-rxn:4:214153:224566,COC(=O)C1(c2ccc(-c3cnn4c3OC[C@H](N(C)C(=O)OC(C)(C)C)C4)cc2)CCCC1,GVFXWKYCIZHQEC-LJQANCHMSA-N
-rxn:4:214201:224271,CC(C)(C)OC(=O)N1C2CC1CN(c1ccc(-c3cc4cccnc4n3C(=O)OC(C)(C)C)cn1)C2,UZJYHBCCCCIBNC-UHFFFAOYSA-N
-rxn:4:214201:226655,CC(C)(C)OC(=O)N1C2CC1CN(c1ccc(-c3cc(Cl)cnc3N3CCCC3)cn1)C2,XMSBYRKDOAUSNQ-UHFFFAOYSA-N
-rxn:4:214220:225899,Cc1cc(-c2ccc3[nH]c(C4CCCN4C(=O)OC(C)(C)C)nc3c2)n(C(=O)OC(C)(C)C)n1,WQYGBRNDSYSLNE-UHFFFAOYSA-N
-rxn:4:214223:223592,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc(C(=O)N4CCC(Cn5cnc6ccccc65)CC4)o3)c(Cl)c2)CC1,LKLDRJASYWRCFD-UHFFFAOYSA-N
-rxn:4:214321:226106,Cc1cc(OCC(C)C)cc(-c2ccc3c(c2)ncn3C2CCCN(C(=O)OC(C)(C)C)CC2)c1,MQVFIDYJYSTTCM-UHFFFAOYSA-N
-rxn:4:214630:223679,CCN1CCN(S(=O)(=O)c2c(C)cc(-c3c(C4CC4)n[nH]c3C(=O)N3CCOCC3)cc2C)CC1,SCEHWZGXNUEGEU-UHFFFAOYSA-N
-rxn:4:214709:222819,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc(NC(=O)N4CCOCC4)nc3)cn2)CC1,XFHMWTDYRJEONG-UHFFFAOYSA-N
-rxn:4:214730:225048,Cc1cc(N2CCN(C)CC2)ccc1-c1ccc(N2CCN(S(=O)(=O)C3CC3)CC2)nc1,YKRTXJMISXNDPV-UHFFFAOYSA-N
-rxn:4:214752:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3nc(C(=O)N4CCN(C(C)C)CC4)ccc3F)cc2)CC1,SRWUAACPDRBBDK-UHFFFAOYSA-N
-rxn:4:214761:223671,Cc1cnccc1OC1CCN(c2ncc(-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)cc2F)C1,ASRFLTUKQTYROI-UHFFFAOYSA-N
-rxn:4:214773:224320,Cc1ccc(S(=O)(=O)N2CCCCC2)cc1-c1cncc(S(=O)(=O)N2CCN(C(C)C)CC2)c1,JKSZBLYPWYHCHF-UHFFFAOYSA-N
-rxn:4:214787:223867,CC1CCN(CCCOc2cccc(-c3ccc(S(=O)(=O)N4CCN(c5ccccn5)C(=O)C4)cc3)c2)CC1,KHGFFKOECWWZPH-UHFFFAOYSA-N
-rxn:4:214802:225518,CCCCCOc1ncc(C)cc1-c1cccnc1N1CCOC(C(=O)N2CCCC2)C1,TWYSIMXUVIHSBA-UHFFFAOYSA-N
-rxn:4:214804:223595,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnccc3N3CCOC(C(=O)N4CCCC4)C3)cc2F)CC1,VLDLHVGMFYRCDW-UHFFFAOYSA-N
-rxn:4:214818:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnc(N4CCN(C(=O)C5CCCO5)CC4)c(Cl)c3)c(F)c2)CC1,NEOSWGDJZZHKCZ-RZWCHVLBSA-N
-rxn:4:214820:222584,O=C(C1CN(c2ncc(-c3ccc(OCCCN4CCNCC4)c(F)c3)cc2F)CCO1)N1CCCC1,HBDOMZRYSXOXIR-UHFFFAOYSA-N
-rxn:4:214829:224672,CCN1CCN(c2ccc(-c3cccnc3N3CCOC(C(=O)N4CCSCC4)C3)c(Cl)c2)CC1,IRDDCUNBQZHANY-UHFFFAOYSA-N
-rxn:4:214830:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3ccc(N4CCOC(C(=O)N5CCSCC5)C4)nc3)ccn2)CC1,QUKAYFXBKXXZGL-UHFFFAOYSA-N
-rxn:4:214835:223687,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3cc(Cl)cnc3N3CCOC(C(=O)N4CCOCC4)C3)cn2)CC1,XIHHVGRULKYHIN-UHFFFAOYSA-N
-rxn:4:214835:225334,O=C(C1CN(c2ncc(Cl)cc2-c2ccc(F)cc2COCC(F)(F)F)CCO1)N1CCOCC1,QNGTWRIWBMZWTR-UHFFFAOYSA-N
-rxn:4:214837:223892,CN1CCN(CCCOc2ccc(-c3cnc(N4CCOC(C(=O)N5CCSCC5)C4)c(Cl)c3)cc2)CC1,YKTVKZJZLJIUAC-UHFFFAOYSA-N
-rxn:4:214837:224592,N#CC1(c2ccc(F)c(-c3cnc(N4CCOC(C(=O)N5CCSCC5)C4)c(Cl)c3)c2)CCCCC1,UQDLSEONUXOEQH-UHFFFAOYSA-N
-rxn:4:214837:225093,CCCOc1c(Cl)cc(-c2cnc(N3CCOC(C(=O)N4CCSCC4)C3)c(Cl)c2)cc1OCC,UVXRRPPRVNZOFR-UHFFFAOYSA-N
-rxn:4:214852:222439,O=C(c1cncc(-c2ccc(S(=O)(=O)NC3CCCCC3)cc2C(F)(F)F)c1)N1CCC(N2CCCC2)CC1,LXYKJQKDXWVPGY-UHFFFAOYSA-N
-rxn:4:214852:225220,CC1CCCCN1c1ncc(-c2cncc(C(=O)N3CCC(N4CCCC4)CC3)c2)cc1Cl,FAGNQTKWZIAHSL-UHFFFAOYSA-N
-rxn:4:214853:223077,N#Cc1c(-c2ccc(S(=O)(=O)NC3CC3)cc2)cccc1N1CCN(C2CCCC2)CC1,WPYDDIYOTIYTKQ-UHFFFAOYSA-N
-rxn:4:214862:222634,O=C(c1cncc(-c2ccc(OCCNC3CCCC3)c(F)c2)c1)N1CCCN(C2CCSC2)CC1,HWXMQWXKYVKSHM-UHFFFAOYSA-N
-rxn:4:214870:227464,CCCCSc1ncc(-c2cc(Cl)cnc2N2CCCC(C(=O)N3CCOCC3)C2)cn1,CKXQKHMQODLDRG-UHFFFAOYSA-N
-rxn:4:214871:227212,CCCCOc1ncccc1-c1cnc(N2CCCC(C(=O)N3CCOCC3)C2)c(Cl)c1,ZPQNGNLOSIRYIH-UHFFFAOYSA-N
-rxn:4:214871:227480,CCCOc1nccc(-c2cnc(N3CCCC(C(=O)N4CCOCC4)C3)c(Cl)c2)c1Cl,LNCLIFYMCJKXBV-UHFFFAOYSA-N
-rxn:4:214873:227308,CN(C)Cc1ccc(Cl)cc1-c1cnc(N2CCCC(C(=O)N3CCOCC3)C2)c(F)c1,QCSFEXJIRXZMLN-UHFFFAOYSA-N
-rxn:4:214874:226236,CCCCOc1ncc(C)cc1-c1cnc(N2CCOC(C(=O)N3CCCCC3)C2)c(F)c1,IRSDSBNXYYTHAZ-UHFFFAOYSA-N
-rxn:4:214875:224718,O=C(C1CCCN(c2ncc(-c3ccc(OCCN4CCOCC4)nc3)cc2F)C1)N1CCSCC1,MPCYYPOUNHACFL-UHFFFAOYSA-N
-rxn:4:214875:226232,CN(C)CCOc1cccc(-c2cnc(N3CCCC(C(=O)N4CCSCC4)C3)c(F)c2)c1,ANEPXVXIRSKXGM-UHFFFAOYSA-N
-rxn:4:215011:223823,CC(C)(C)OC(=O)N1CCC(n2cc(-c3ccnc4c3cnn4C(=O)OC(C)(C)C)cn2)CC1,VVSZCMPRNNYICI-UHFFFAOYSA-N
-rxn:4:215027:222639,C[C@H](NC(=O)OC(C)(C)C)c1ccc(-c2cnn3c2N(C(=O)OC(C)(C)C)CC3)cc1,HCEMKJLYDIKWAR-HNNXBMFYSA-N
-rxn:4:215059:222812,CC(C)(C)OC(=O)Nc1cc(-c2cnn3c2CN(C(=O)OC(C)(C)C)CC3)cnc1Cl,VPOYICPAOPOJLQ-UHFFFAOYSA-N
-rxn:4:215170:226320,N#CC1(c2ccc(F)c(-c3cncc(C(=O)N4CC(N5C(=O)C6CC=CCC6C5=O)C4)c3)c2)CC1,QQPAPQCBNPSZML-UHFFFAOYSA-N
-rxn:4:215170:226339,N#Cc1cc(Cl)c(C2CC2)c(-c2cncc(C(=O)N3CC(N4C(=O)C5CC=CCC5C4=O)C3)c2)c1,DZIBXOWOQFBEAV-UHFFFAOYSA-N
-rxn:4:215197:224328,CC1CCCCN1S(=O)(=O)c1cccc(-c2ccccc2S(=O)(=O)N2CCC3CN(c4ccccn4)CC32)c1,LUBWNLNDNFVKRI-UHFFFAOYSA-N
-rxn:4:215232:225871,O=C(C1CCCN(c2ccc3ccc(-c4cccc(N5C(=O)C=CC5=O)c4)cc3n2)C1)N1CCOCC1,IZJBDCZFSFVGCD-UHFFFAOYSA-N
-rxn:4:215287:223492,Cc1cc(-c2cccc3c4c([nH]c23)CCN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)C4)ccc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,VECLNIGUPFLBRK-UHFFFAOYSA-N
-rxn:4:215295:223646,CC(C)(C)OC(=O)N1CCC2(CC1)c1ccccc1CCn1c(-c3ccc(OC4CCN(C(=O)OC(C)(C)C)C4)cc3)cnc12,BSBOVHNIUMZSBA-UHFFFAOYSA-N
-rxn:4:215295:223793,CC(C)(C)OC(=O)N1CCC2(CC1)c1ccccc1CCn1c(-c3cc(C(F)(F)F)ccc3OCc3ccccc3)cnc12,NKCJZZPSMJODTO-UHFFFAOYSA-N
-rxn:4:215658:223506,CC(C)n1nnc(C2CC2)c1-c1cccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1,SBOONJVNYIZRTD-UHFFFAOYSA-N
-rxn:4:215708:223532,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)cc(-c3cnc(C(=O)N4CCOCC4)nc3)c2)CC1,QUOMBAHVUWKMQO-UHFFFAOYSA-N
-rxn:4:215828:223648,CC1CN(c2ncc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)cc3)cc2[N+](=O)[O-])CCO1,YDWLPGULKVMXQL-UHFFFAOYSA-N
-rxn:4:215872:223838,CCN1CCN(c2cccc(-c3ccc(N4CCN(S(=O)(=O)N(C)C)CC4)cc3)n2)CC1,QFCIJVXTMLUVLH-UHFFFAOYSA-N
-rxn:4:215900:222723,CN1CCN(S(=O)(=O)c2ccc(-c3cccc(NS(=O)(=O)N4CCOCC4)c3)nc2)CC1,GPIXALWXYRTWKW-UHFFFAOYSA-N
-rxn:4:215906:222723,CN1CCN(S(=O)(=O)c2cncc(-c3cccc(NS(=O)(=O)N4CCOCC4)c3)c2)CC1,UIIKQVCAXNBJBV-UHFFFAOYSA-N
-rxn:4:215906:224379,CN1CCN(S(=O)(=O)c2cncc(-c3ccccc3S(=O)(=O)N3CCN(C)CC3)c2)CC1,OLYYMDHQWNZVGG-UHFFFAOYSA-N
-rxn:4:215907:222540,CN1CCN(S(=O)(=O)c2ccc(-c3cccc(C(=O)NCCN4CCCCC4)c3)cn2)CC1,HHHNIYLYUZQWIA-UHFFFAOYSA-N
-rxn:4:215907:222723,CN1CCN(S(=O)(=O)c2ccc(-c3cccc(NS(=O)(=O)N4CCOCC4)c3)cn2)CC1,DDGOEIFTNQVFJW-UHFFFAOYSA-N
-rxn:4:215942:222584,CN(C)C1CCN(c2cccnc2-c2ccc(OCCCN3CCNCC3)c(F)c2)CC1,OVOAWIFXDAYSRJ-UHFFFAOYSA-N
-rxn:4:215981:223992,Cc1ccc(-c2nc(N3CCCCC3)cc(C(C)(C)C)n2)cc1S(=O)(=O)N1CCN(C)CC1,IJTNSMDKDCVTMN-UHFFFAOYSA-N
-rxn:4:215989:223076,CN1CCN(C2CCN(c3ccc(-c4cccc(S(=O)(=O)NC5CC5)c4)cc3)CC2)CC1,QCXCSYGRWVPRAP-UHFFFAOYSA-N
-rxn:4:215989:223077,CN1CCN(C2CCN(c3ccc(-c4ccc(S(=O)(=O)NC5CC5)cc4)cc3)CC2)CC1,HGSQCYLMOXVGHX-UHFFFAOYSA-N
-rxn:4:215989:223078,CCNS(=O)(=O)c1ccc(-c2ccc(N3CCC(N4CCN(C)CC4)CC3)cc2)c(C)c1,XPYAVKXPEMINJL-UHFFFAOYSA-N
-rxn:4:216221:222584,CC(=O)N1CCN(c2nc3ccc(-c4ccc(OCCCN5CCNCC5)c(F)c4)cc3s2)CC1,XWLTXIQKMODLJO-UHFFFAOYSA-N
-rxn:4:216267:225986,Cn1ncc(C(=O)N2CCCC3CCCCC32)c1-c1ccccc1N1CCCS1(=O)=O,XNNIRJDXHGNEHE-UHFFFAOYSA-N
-rxn:4:217199:223842,CC1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2cnc(N3CCN(C)CC3)c(F)c2)CC1,HFVLHJYAQWSBFQ-UHFFFAOYSA-N
-rxn:4:217857:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3cnn(C)c3C34CCN(C)CC3O4)cc2)CC1,OUDZSYZNDSCHQJ-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:4:218578:223593,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnn(C4(CC#N)CCN(C(=O)OC(C)(C)C)CC4)c3)cc2Cl)CC1,NVCVGKWJJCPXML-UHFFFAOYSA-N
-rxn:4:218578:228214,CC(C)(C)OC(=O)N1CCC(CC#N)(n2cc(-c3cnc(C4CC4)cc3F)cn2)CC1,VDRGPDBNRPWWCF-UHFFFAOYSA-N
-rxn:4:218587:222848,CCc1cc(-c2cnc(OCC3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)nc2)cc(C2CCCNC2)n1,XQTKGRSJNMNNKI-UHFFFAOYSA-N
-rxn:4:218615:224162,CN(CC1CCN(C(=O)OC(C)(C)C)C1)c1cnc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CC3)cn1,BXGNMOMMYTWCCD-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:4:218631:224285,O=C1C(N2CCC(COc3ncc(-c4ccc(OCCN5CCOCC5)cc4F)cn3)CC2)CCN1CC(F)(F)F,USTNLYYYGATCNE-UHFFFAOYSA-N
-rxn:4:218631:224506,Cc1cnc(OCc2ccccc2)c(-c2cnc(OCC3CCN(C4CCN(CC(F)(F)F)C4=O)CC3)nc2)c1,KLYCKGJTWSIBKJ-UHFFFAOYSA-N
-rxn:4:218631:227476,CCOC(=O)c1ccc(-c2cnc(OCC3CCN(C4CCN(CC(F)(F)F)C4=O)CC3)nc2)cn1,JZIQMDQJTYFCAK-UHFFFAOYSA-N
-rxn:4:218655:224624,COc1cc(=O)n(C)cc1C(=O)N1CCC(COc2ncc(-c3cc(Cl)ccc3C(=O)OCC(C)(C)C)cn2)CC1,CYRPRRBYLBLOCZ-UHFFFAOYSA-N
-rxn:4:218656:225975,COc1cc(=O)n(C)cc1C(=O)N1CCCC(COc2ncc(-c3ccnc(N4CCOCC4)c3Cl)cn2)C1,LJGOELYXKWGVDK-UHFFFAOYSA-N
-rxn:4:218664:225984,CN(C)c1ccc(C(=O)N2CCCC(COc3ncc(-c4cnc(Cl)c(N5CCOCC5)c4)cn3)C2)cc1,IPGKWUHAOHIJDX-UHFFFAOYSA-N
-rxn:4:218666:224672,CCN1CCN(c2ccc(-c3cncc(C(=O)N4CCC(COc5ccc(C(C)(C)C)nn5)C4)c3)c(Cl)c2)CC1,JJSWIWKOHHTYGS-UHFFFAOYSA-N
-rxn:4:218666:224718,CC(C)(C)c1ccc(OCC2CCN(C(=O)c3cncc(-c4ccc(OCCN5CCOCC5)nc4)c3)C2)nn1,BWHOALNZDULJTB-UHFFFAOYSA-N
-rxn:4:218666:225877,CC(C)(C)c1ccc(OCC2CCN(C(=O)c3cncc(-c4ccc(Cl)cc4N4CCOCC4)c3)C2)nn1,DHQIWURHUDCSHS-UHFFFAOYSA-N
-rxn:4:218682:222963,CCCNC(=O)Cc1ccc(-c2cnc(OCC3CCCN(C(=O)C4CCN(C(C)=O)CC4)C3)nc2)cc1,FZUWPYBDPJASKC-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:4:218682:224830,CC(=O)N1CCC(C(=O)N2CCCC(COc3ncc(-c4cc(C(F)(F)F)nn4C4CCCCO4)cn3)C2)CC1,CCLVWLNXCZKNSN-UHFFFAOYSA-N
-rxn:4:218695:224727,COC(=O)c1cc(-c2c(C)nn(CCC(=O)N3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)c2C)cc(OC(C)(C)C)n1,KOAHHLAWPBMNOY-UHFFFAOYSA-N
-rxn:4:218714:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1c(C)nn(CCC(=O)N2CCN(S(=O)(=O)c3c(C)cc(C)cc3C)CC2)c1C,ACROGZAETNNOLS-UHFFFAOYSA-N
-rxn:4:218725:222778,CCOC(=O)Cn1c(=O)c2c(nc(-c3cncc(CNC(=O)OC(C)(C)C)c3)n2Cc2ccccc2Cl)n(C)c1=O,UESXIEDSKIMDMY-UHFFFAOYSA-N
-rxn:4:218778:223646,Cc1cc(Cn2c(N3CC4(CN(C(=O)OC(C)(C)C)C4)C3)nc3c(-c4ccc(OC5CCN(C(=O)OC(C)(C)C)C5)cc4)cc(Cl)cc32)cc(C)c1F,SFOFXWIFCDRKBK-UHFFFAOYSA-N
-rxn:4:218809:224153,N#Cc1ccccc1S(=O)(=O)N1CC(Cn2cc(-c3cc(N4CCCC4)cc(N4CCCC4)c3)cn2)C1,MEPHRVSJWLHNDO-UHFFFAOYSA-N
-rxn:4:218883:222707,CC(C)(C)OC(=O)NCc1nccc(-c2cnc(OCC3CCCN(C(=O)c4cccnc4)C3)nc2)c1F,JNSLWSBCDYKMIQ-UHFFFAOYSA-N
-rxn:4:218888:222546,Cc1oncc1C(=O)N1CCCC(COc2ncc(-c3ccc(OCCNC4CCCCC4)c(F)c3)cn2)C1,FJWVDQLIWJCFDB-UHFFFAOYSA-N
-rxn:4:218888:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnc(OCC4CCCN(C(=O)c5cnoc5C)C4)nc3)c(F)c2)CC1,BQFVIOSEOBZPBV-ANRZFKABSA-N
-rxn:4:218894:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cnc(N4CCC(COc5ccncc5Cl)CC4)c(C#N)c3)c2Cl)CC1,XSIVIDDEUPIJLC-UHFFFAOYSA-N
-rxn:4:218897:224196,CCN1CCN(Cc2cc(F)cc(-c3cnc(OCC4CCCN(C(=O)c5ccncc5F)C4)nc3)c2)CC1,IBJVVICCFDBHSY-UHFFFAOYSA-N
-rxn:4:218899:223810,Cc1cc(-c2cnc(OC3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)nc2)cc(C)c1S(=O)(=O)N1CCC(C)CC1,RFEKYNONWUULRH-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:4:218971:222584,Cc1nc(C)c(C(=O)N2CCC(COc3ncc(-c4ccc(OCCCN5CCNCC5)c(F)c4)cn3)CC2)s1,ABPOZXBCQKOPMQ-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:4:218992:222812,CC(C)(C)OC(=O)Nc1cc(-c2cnn(CC3CN(C(=O)C4CCN(S(C)(=O)=O)CC4)C3)c2)cnc1Cl,SMOCCLVMERRRLL-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:4:218999:223975,C[C@H]1CN(C(=O)OC(C)(C)C)CCN1c1ncc(-c2cn(C(=O)OC(C)(C)C)c3ccc(Cl)nc23)cc1C#N,NKQQAMRRIFVURP-KRWDZBQOSA-N
-rxn:4:218999:225877,C[C@H]1CN(C(=O)OC(C)(C)C)CCN1c1ncc(-c2ccc(Cl)cc2N2CCOCC2)cc1C#N,NGRHVLKYLADVQH-SFHVURJKSA-N
-rxn:4:219002:224196,CCN1CCN(Cc2cc(F)cc(-c3cnc(OCC4CCCN(C(=O)c5cccn(C)c5=O)C4)nc3)c2)CC1,PDMCVQPYDZNWTK-UHFFFAOYSA-N
-rxn:4:219011:223595,CN(c1cnc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c(F)c2)cn1)C1CCN(C(=O)OC(C)(C)C)CC1,YXJKJGCOMDVBNY-UHFFFAOYSA-N
-rxn:4:219011:225232,CC1CCN(c2cc(-c3cnc(N(C)C4CCN(C(=O)OC(C)(C)C)CC4)cn3)cnc2Cl)CC1,UOELZRAZOWEUCV-UHFFFAOYSA-N
-rxn:4:219062:223026,CCCNC(=O)c1ccc(-c2cccnc2OC2CCN(S(=O)(=O)c3c(C)nn(C(C)C)c3C)C2)cc1F,PCLPSQPRMRFDBC-UHFFFAOYSA-N
-rxn:4:219071:223679,CCN1CCN(S(=O)(=O)c2c(C)cc(-c3ccc(S(=O)(=O)N4CCN(C(=O)c5cc(-c6ccc(C)cc6)[nH]n5)CC4)cc3)cc2C)CC1,VSGRXGLURPCLCN-UHFFFAOYSA-N
-rxn:4:219184:223812,CCCN1CCN(C(=O)c2cc3n(n2)CC(c2ccc(-c4cc(F)cc(CN5CCC6(CC5)OCCO6)c4)cc2)OC3)CC1,LKWKTPLQBNYFPT-UHFFFAOYSA-N
-rxn:4:219184:225977,CCCN1CCN(C(=O)c2cc3n(n2)CC(c2ccc(-c4cc(Cl)cnc4N4CCOCC4)cc2)OC3)CC1,SRBJJKJKTNVOGQ-UHFFFAOYSA-N
-rxn:4:219353:224846,CCC1CCC(c2ccc(-c3cnc(OC4CCN(S(=O)(=O)N(C)C)CC4)nc3)cc2)CC1,MARVZDAYDMPOGH-UHFFFAOYSA-N
-rxn:4:219353:226426,CC1CCN(c2ccc(-c3cnc(OC4CCN(S(=O)(=O)N(C)C)CC4)nc3)s2)CC1,WPRFXDNUPHMHJA-UHFFFAOYSA-N
-rxn:4:219354:226047,CN(C1CCN(c2ncc(-c3ccc(OC(F)(F)F)c(F)c3F)cn2)C1)S(=O)(=O)C1CC1,KTGMLVDJLXVQIK-UHFFFAOYSA-N
-rxn:4:219364:224196,CCN1CCN(Cc2cc(F)cc(-c3cncc(C(=O)N4CCCC(Oc5ncc(Cl)cn5)C4)c3)c2)CC1,DQZMGOIMRILOMW-UHFFFAOYSA-N
-rxn:4:219407:223651,Cc1nc(C2CCN(C(=O)OC(C)(C)C)C2)ccc1-c1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1,NEPXJQMBGLQAIC-UHFFFAOYSA-N
-rxn:4:219436:223687,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3cnc(N4CCOC(C(=O)N5CCOCC5)C4)c(C#N)c3)cn2)CC1,NMYMOXHSNUQBBY-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:4:219439:224010,COc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1cccc(CN2CCN(c3nccc(C(F)(F)F)n3)CC2)c1,DFTDAOXJRCOFBY-UHFFFAOYSA-N
-rxn:4:219452:223659,Cc1nc(-c2cnn(CC3CCN(C(=O)OC(C)(C)C)CC3)c2)n(C2CCN(C(=O)OC(C)(C)C)CC2)n1,NILPOVZYUDLXNZ-UHFFFAOYSA-N
-rxn:4:219455:222748,CC1CN(C(=O)OC(C)(C)C)CCC1c1nc(-c2cccc(C(=O)NCC3CCCO3)c2)n[nH]1,PQZJVTUGLHJJKC-UHFFFAOYSA-N
-rxn:4:219462:224471,CCOC(=O)c1cccc2c(-c3cnc(OC4CCCN(S(=O)(=O)N5CCCC5)C4)nc3)cccc12,HCXFAOBNFXAUSA-UHFFFAOYSA-N
-rxn:4:219463:223595,Cc1cc(OCC2CCN(c3ncc(-c4ccc(N5CCN(C(=O)OC(C)(C)C)CC5)c(F)c4)cn3)CC2)ccn1,LYVCQBFJDCAMSS-UHFFFAOYSA-N
-rxn:4:219468:222584,O=C(N1CCOCC1)N1CCC(Oc2ncc(-c3ccc(OCCCN4CCNCC4)c(F)c3)cn2)CC1,YOUOPWCMSCLNPP-UHFFFAOYSA-N
-rxn:4:219473:225733,CCCCOc1cc(-c2cnc(N3CCOC(C(=O)N4CCCC4)C3)nc2OC)c(F)cc1F,PRYUCIYWAWGYCW-UHFFFAOYSA-N
-rxn:4:219498:225313,COc1nc(N2CCOC(C(=O)N3CCOCC3)C2)ncc1-c1ccc(N2CCN(C)CC2)nc1F,QAXVTJBPWVYEBA-UHFFFAOYSA-N
-rxn:4:219498:226231,CCCCOc1ncc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)nc2OC)cc1C,LVQLSXSBXIKJRT-UHFFFAOYSA-N
-rxn:4:219500:222777,N#Cc1cc(-c2ccc(CN3CCC(O)CC3)c(Cl)c2)cnc1N1CCCC(C(=O)N2CCSCC2)C1,CZLGZNULWSUMBP-UHFFFAOYSA-N
-rxn:4:219500:224354,N#Cc1cc(-c2cc(F)c(Oc3cccc(F)c3)c(F)c2)cnc1N1CCCC(C(=O)N2CCSCC2)C1,AZKOGQRHDWDUTI-UHFFFAOYSA-N
-rxn:4:219524:222824,Cc1cc(C)nc(OC2CCCN(C(=O)c3cncc(-c4cc(S(=O)(=O)NC(C)C)c(C)cc4F)c3)C2)n1,YKCKBSMJIAHRLV-UHFFFAOYSA-N
-rxn:4:219653:224290,CC(C)(C)OC(=O)N1CCN(c2nc3ccc(-c4ccc(Cl)cc4OCCN4CCOCC4)nc3s2)CC1,YVQGJGBYTFOLMW-UHFFFAOYSA-N
-rxn:4:219664:224666,CN1CCN(Cc2cc(-c3ccc4nc(N5CCN(C(=O)c6ccccc6[N+](=O)[O-])CC5)sc4c3)ccc2F)CC1,MKSMKJLGVDHEOF-UHFFFAOYSA-N
-rxn:4:219666:224363,CCN(CC)S(=O)(=O)c1cc(OC)cc(-c2cccc(C(=O)N3CCN(S(=O)(=O)c4cccc5nonc45)CC3)c2)c1,VOFMAYDRKAKCLX-UHFFFAOYSA-N
-rxn:4:219687:225979,CC(C)(C)OC(=O)N1CCC(n2nnc3ccc(-c4cnc(N5CCOCC5)c(Cl)c4)cc32)CC1,BYRAHAQZAVWWDH-UHFFFAOYSA-N
-rxn:4:219691:223590,Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1-c1cnn2c(Cl)cc(C3CCCN(C(=O)OC(C)(C)C)C3)nc12,ANQXABYSBJUYFA-UHFFFAOYSA-N
-rxn:4:219706:225105,CCN(CC)C(=O)c1ccc(-c2cc3ncnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3cc2Cl)cc1F,PQIBEKNTYZYBHO-UHFFFAOYSA-N
-rxn:4:219716:222699,Cc1cc(N2CC3CN(C(=O)Cc4ccc(-c5ccc(C6CCCNC6)c(C(F)(F)F)c5)cc4)CC3C2)ncn1,MUQIDYMSKJWYRP-UHFFFAOYSA-N
-rxn:4:219766:225806,O=C(c1cncc(-c2cnc(OC3CCCC3)cc2F)c1)N1CCC(Cn2nc3c(cc2=O)CCCC3)CC1,PLMMDEMLXLESSA-UHFFFAOYSA-N
-rxn:4:219767:224764,CN1CCN(n2c3c(c(SCc4ccc(-c5ccc(C(=O)N6CCOCC6)cc5F)cc4)nc2=O)CCC3)CC1,BEXZSOCALDEUJX-UHFFFAOYSA-N
-rxn:4:219876:224718,CCN1CCN(C(=O)c2cnn(C)c2-c2ccc(OCCN3CCOCC3)nc2)CC1,YNSAJWOPKVQUDQ-UHFFFAOYSA-N
-rxn:4:219905:222826,N#Cc1cc(-c2cccc(S(=O)(=O)N3CCNCC3)c2)cnc1N1CCN(C2CCC2)CC1,TZWJYCQSRGFIIB-UHFFFAOYSA-N
-rxn:4:219908:224328,CC1CCCCN1S(=O)(=O)c1cccc(-c2ccc(-c3nc(C#N)c(N4CCCN(C)CC4)o3)o2)c1,OKLRCVPYNRXWLN-UHFFFAOYSA-N
-rxn:4:219931:223075,O=S(=O)(Nc1ccc(-c2cnc(N3CCCN(S(=O)(=O)C4CC4)CC3)nc2)cc1)C1CC1,VUIVAXXSVLTDJQ-UHFFFAOYSA-N
-rxn:4:219975:226249,CCCCOc1cc(Cl)cc(-c2cnc(N3CCOC(C(=O)N4CCCCC4)C3)nc2)c1,VJESHQYPHLQIJK-UHFFFAOYSA-N
-rxn:4:219981:224787,CCCCSc1ncc(C(F)(F)F)cc1-c1cnc(N2CCCC(C(=O)N3CCSCC3)C2)nc1,CKQKZAAXLGIDGO-UHFFFAOYSA-N
-rxn:4:220040:223491,CC(C)(C)OC(=O)N1CCN(c2cc(-c3nc4n(n3)CCN(C(=O)OC(C)(C)C)C4)cc(C(F)(F)F)c2)CC1,NGJQBDSJHXGOGM-UHFFFAOYSA-N
-rxn:4:220136:223998,CC1CCN(S(=O)(=O)c2ccc(-c3ccc4ncnc(N5CCN(S(=O)(=O)C6CC6)CC5)c4c3)cc2F)CC1,ZSPVQEQTRMXPFT-UHFFFAOYSA-N
-rxn:4:220205:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc4nc(N5CCOC(C(=O)N6CCOCC6)C5)ncc4c3)c2)CC1,JEBZLUCNTSIMOP-UHFFFAOYSA-N
-rxn:4:220222:222634,Cc1ccc(-c2ccc(OCCNC3CCCC3)c(F)c2)cc1C(=O)N1CCN(c2cc3c(nn2)CCC3)CC1,AWCLGVGXVOPOMI-UHFFFAOYSA-N
-rxn:4:220223:224571,CC1CCN(C(=O)c2nnn3c2COC(c2ccc(-c4ccc(N5CCN(C(C)C)CC5)cc4)cc2)C3)CC1,GMTYEVGYVMXFLN-UHFFFAOYSA-N
-rxn:4:220226:222546,O=C(C1CCCN(c2ncc3cc(-c4ccc(OCCNC5CCCCC5)c(F)c4)ccc3n2)C1)N1CCOCC1,GICAZGMZONESRI-UHFFFAOYSA-N
-rxn:4:220414:223835,Cc1cc(F)c(-c2cnc(N3CCN(C)CC3)c([N+](=O)[O-])c2C)cc1S(=O)(=O)N1CCC(C)CC1,JIXGQYQPRDGWGF-UHFFFAOYSA-N
-rxn:4:220538:223575,CC(C)(C)OC(=O)N1CCN(Cc2ccccc2-c2ccc(N3CCC(c4ccc5cccnc5n4)CC3)nc2)CC1,HTPMMYPNWZFWSH-UHFFFAOYSA-N
-rxn:4:220788:223533,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cnc(N4CCOCC4)nn3)c(F)c2)CC1,LRBCSRSVZSLDPG-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:4:221106:225538,COc1nccnc1N(C)CC1CCN(C(=O)c2cncc(-c3cccc(OCC(C)C)c3C#N)c2)CC1,CAJFRYPNYNUOJN-UHFFFAOYSA-N
-rxn:4:221114:227953,CCOc1ccc(-c2ccc(N(C)C)cc2C)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N3CCCC3)n2)CC1,PPSYDIWTSZFBHX-UHFFFAOYSA-N
-rxn:4:221121:223584,COc1ccc(CN(C)S(=O)(=O)c2ccc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)cc2)cc1,DOCZODJWEPWDIV-UHFFFAOYSA-N
-rxn:4:221169:224460,Cn1cc(S(=O)(=O)N2CCCC(COc3ncc(-c4cc(C5CC5)cc(N5CCCCC5)c4)cn3)C2)cn1,JIJFPZCTQNHPBX-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:4:221172:223787,CN1CCN(CCCOc2ccc(-c3cnc(OCC4CCN(C(=O)c5ccc(=O)n(C)n5)CC4)nc3)cc2F)CC1,CIDOTFBIOQNKKM-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:4:221173:223596,Cn1nc(C(=O)N2CCCC(COc3ncc(-c4ccc(Cl)cc4N4CCN(C(=O)OC(C)(C)C)CC4)cn3)C2)ccc1=O,GCLYMLRBJJVTTD-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:4:221180:223812,Cc1cc(C(=O)N2CCC(COc3ncc(-c4cc(F)cc(CN5CCC6(CC5)OCCO6)c4)cn3)CC2)nn1C,JCHXJFQKUVFJNL-UHFFFAOYSA-N
-rxn:4:221181:224196,CCN1CCN(Cc2cc(F)cc(-c3cnc(OCC4CCCN(C(=O)c5cc(C)n(C)n5)C4)nc3)c2)CC1,BHDXAAJMVJQPEM-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:4:221202:223755,CC1CCN(CCCOc2ccc(-c3ccccc3C(=O)N3CCN(Cc4nncn4C4CCCCC4)CC3)cc2F)CC1,YJZCHQOVKKOWKH-UHFFFAOYSA-N
-rxn:4:221205:222846,N#Cc1ccc(C2CCCNC2)cc1-c1ccc(CCN2CCN(c3ccnc(N4CCOCC4)n3)CC2)cc1,MTFAHHSMKDKUGB-UHFFFAOYSA-N
-rxn:4:221221:223918,CN(C(=O)c1ccc(F)c(-c2cncc(C(=O)N3CCC(COc4ccc5nccn5n4)CC3)c2)c1)C1CCCCC1,RTAUJBIDLDJASU-UHFFFAOYSA-N
-rxn:4:221230:222826,N#Cc1cc2c(nc1N1CCCC(COc3ncc(-c4cccc(S(=O)(=O)N5CCNCC5)c4)cn3)C1)CCC2,XBFLDPSVOSXLOT-UHFFFAOYSA-N
-rxn:4:221230:224818,N#Cc1cc2c(nc1N1CCCC(COc3ncc(-c4ccc(S(=O)(=O)N5CCSCC5)cc4)cn3)C1)CCC2,LCVXGTIAYONISG-UHFFFAOYSA-N
-rxn:4:221230:225987,N#Cc1cc2c(nc1N1CCCC(COc3ncc(-c4ccc(N5CCCS5(=O)=O)cc4)cn3)C1)CCC2,IULZRTXUVNKJJA-UHFFFAOYSA-N
-rxn:4:221237:223536,Cc1[nH]c2ccccc2c1C(=O)CSc1nnc2c(=O)n(-c3ccc(-c4cc(F)c(F)c(N5CCN(C(=O)OC(C)(C)C)CC5)c4)cc3)ccn12,COWJSHPPJMANIX-UHFFFAOYSA-N
-rxn:4:221249:223490,Cc1ccc(-c2cnn3cc(-c4ccc(N5CCN(C(=O)OC(C)(C)C)CC5)cc4)cnc23)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,QBGAUQSVOFWLAF-UHFFFAOYSA-N
-rxn:4:221310:223596,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)ccc2-c2cnc(OCC3CCCN(c4nncs4)C3)nc2)CC1,OWINKBSNMAVLGZ-UHFFFAOYSA-N
-rxn:4:221312:223534,CC(C)(C)OC(=O)N1CCC(Oc2cc(-c3ccc(CN4CC(c5nc(-c6ncccn6)no5)C4)o3)c(F)cn2)CC1,UBDLVZQVXDAPAZ-UHFFFAOYSA-N
-rxn:4:221339:223536,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cnc(OCC4CCCN(c5ncccn5)C4)nc3)cc(F)c2F)CC1,JACXJYIOMPQVDT-UHFFFAOYSA-N
-rxn:4:221345:223528,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3cnc(OCC4CCN(c5ncc(Cl)cn5)CC4)nc3)ccc2F)CC1,QUAIKBXLUJBCIX-UHFFFAOYSA-N
-rxn:4:221345:223536,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cnc(OCC4CCN(c5ncc(Cl)cn5)CC4)nc3)cc(F)c2F)CC1,GFQHZFPCNOSODK-UHFFFAOYSA-N
-rxn:4:221348:223528,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3cnc(OCC4CCCN(c5ncc(F)cn5)C4)nc3)ccc2F)CC1,HCLBVRQJJJADHS-UHFFFAOYSA-N
-rxn:4:221348:223536,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cnc(OCC4CCCN(c5ncc(F)cn5)C4)nc3)cc(F)c2F)CC1,UQIZLSVULIFVOG-UHFFFAOYSA-N
-rxn:4:221365:223895,CCN1CCN(CCOc2ccc(-c3cnc(OCC4CCCN(c5nccnc5C)C4)nc3)cc2)CC1,CUDDSRVLPMVQLG-UHFFFAOYSA-N
-rxn:4:221374:223596,Cn1ccnc(N2CCCC(COc3ncc(-c4ccc(Cl)cc4N4CCN(C(=O)OC(C)(C)C)CC4)cn3)C2)c1=O,SRTSPXFPIAKHHS-UHFFFAOYSA-N
-rxn:4:221387:223945,Cc1ncnc(OCC2CCN(c3ncc(-c4ccc(OCCCN5CCOCC5)c(F)c4)cn3)CC2)c1C,XPDMTBTULOAWOO-UHFFFAOYSA-N
-rxn:4:221388:222465,Cc1cc(N2CCCC(COc3ncc(-c4cc(C5CCCCC5)nc(C5CCCNC5)c4)cn3)C2)nc(C)n1,XURMFLBBQVNWPH-UHFFFAOYSA-N
-rxn:4:221394:224371,COC(=O)C1CCN(c2ncc(-c3cnc(N4CCC(Cn5nc(C6CC6)ccc5=O)CC4)nc3)cn2)CC1,LOQMNOHSGVQSCV-UHFFFAOYSA-N
-rxn:4:221394:224653,O=c1ccc(C2CC2)nn1CC1CCN(c2ncc(-c3ccc(Cl)cc3OCC3CCCCO3)cn2)CC1,CSPLMPPMMSIOAA-UHFFFAOYSA-N
-rxn:4:221404:222537,CN(C)c1nccc(N2CCN(Cc3cccc(-c4cc(C5CCCC5)nc(C5CCCNC5)c4)c3)CC2)n1,OZWSJBRBUNXLRH-UHFFFAOYSA-N
-rxn:4:221404:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3cccc(CN4CCN(c5ccnc(N(C)C)n5)CC4)c3)c2)CC1,CXABRPZBAKNLSM-UHFFFAOYSA-N
-rxn:4:221432:222997,Cc1cc(N2CCCC2)nc(N2CCN(C(=O)c3cccc(-c4ccc(Cl)cc4C4CCCNC4)c3)CC2)n1,SFCWTWFNVMDKLK-UHFFFAOYSA-N
-rxn:4:221433:225880,Cc1cc(N2CCCC2)nc(N2CCN(C(=O)c3ccc(-c4cc(C5CCOCC5)ncc4F)cc3)CC2)n1,GHOHPSNEVCLOMT-UHFFFAOYSA-N
-rxn:4:221433:226447,Cc1cc(N2CCCC2)nc(N2CCN(C(=O)c3ccc(-c4ccnc(C5CCOCC5)c4)cc3)CC2)n1,GDHKJAUVMKMKJD-UHFFFAOYSA-N
-rxn:4:221440:227205,Cc1cc(N2CCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccc5c4OCCCO5)cc3)CC2)n1,ZZPUJWSVMDPMAI-UHFFFAOYSA-N
-rxn:4:221444:224759,Cc1cc(N2CCOCC2)nc(N2CCN(Cc3ccccc3-c3cc(F)cc(C(=O)N4CCOCC4)c3)CC2)n1,WCGACDFIMNMDQO-UHFFFAOYSA-N
-rxn:4:221447:223936,Cc1cc(N2CCN(Cc3ccc(-c4cc5c(F)cccc5n4C(=O)OC(C)(C)C)cc3)CC2)nc(N2CCOCC2)n1,CJCLNTFXRMNMKR-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:4:221449:223168,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccnc4N4CCNCC4)cc3)CC2)n1,NKQKENGAFNPSLU-UHFFFAOYSA-N
-rxn:4:221449:223294,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4csc(N5CCNCC5)n4)cc3)CC2)n1,WYTPUXWXBLUZPH-UHFFFAOYSA-N
-rxn:4:221449:227205,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccc5c4OCCCO5)cc3)CC2)n1,HEFHUSKIGNUCTH-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:4:221449:228628,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(C5CCC5)cs4)cc3)CC2)n1,NXUJCLCJIYMOFY-UHFFFAOYSA-N
-rxn:4:221453:222833,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4cccc(NC(=O)CCC(C)C)c4)cc3)CC2)n1,NMTVIMXXESGCEZ-UHFFFAOYSA-N
-rxn:4:221453:227086,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4ccnc(C5CCCC5)c4)cc3)CC2)n1,KEYUEPNSEATNKR-UHFFFAOYSA-N
-rxn:4:221456:227185,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc5c(c4)N(C)CCO5)cc3)CC2)n1,LCQLYPCLGFTCHS-UHFFFAOYSA-N
-rxn:4:221498:223773,COc1cccc2cc(-c3c[nH]c4ncnc(N5CCN(C(=O)OC(C)(C)C)CC5)c34)n(C(=O)OC(C)(C)C)c12,PRBMSGTZALMGMV-UHFFFAOYSA-N
-rxn:4:221515:225265,CCCCOc1c(F)cc(F)c(-c2cncc(C(=O)N3CC4CN(c5cc(C6CC6)ncn5)CC4C3)c2)c1F,JTKUOIPJOXSDCB-UHFFFAOYSA-N
-rxn:4:221528:222833,CC(C)CCC(=O)Nc1cccc(-c2nc(C(=O)N3CCN(c4nc5ccccc5n4C)CC3)c(C(C)C)s2)c1,SGSBXKUMGQHTCQ-UHFFFAOYSA-N
-rxn:4:221633:224328,Cc1ccnc(N2CCN(c3ncc(C(F)(F)F)cc3-c3cccc(S(=O)(=O)N4CCCCC4C)c3)CC2)n1,KEUBJHBTBYZHKI-UHFFFAOYSA-N
-rxn:4:221634:224819,Cc1ccnc(N2CCN(c3ncc(-c4ccc(S(=O)(=O)N5CCOCC5)cc4)cc3C(F)(F)F)CC2)n1,ICAWOFZCGBCJCX-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:4:221726:222981,CN(C1=NS(=O)(=O)c2ccccc21)C1CCN(c2ncc(-c3ccnc(NC4CCCCC4)c3)cn2)CC1,NRNHNCRVYJXHBR-UHFFFAOYSA-N
-rxn:4:221726:224867,CN(C1=NS(=O)(=O)c2ccccc21)C1CCN(c2ncc(-c3ccc(OCC4CCCCC4)cc3)cn2)CC1,YKGZEFKBBOZDJD-UHFFFAOYSA-N
-rxn:4:221726:225597,CN(C1=NS(=O)(=O)c2ccccc21)C1CCN(c2ncc(-c3ccc(OC4CCCCC4)nc3)cn2)CC1,MVAVTGJEUIHQAG-UHFFFAOYSA-N
-rxn:4:221726:225600,CN(C1=NS(=O)(=O)c2ccccc21)C1CCN(c2ncc(-c3cccnc3OC3CCCCC3)cn2)CC1,NRCHZGJXKGTSPT-UHFFFAOYSA-N
-rxn:4:221726:225620,CN(C1=NS(=O)(=O)c2ccccc21)C1CCN(c2ncc(-c3ccc(OC4CCOCC4)cc3)cn2)CC1,QKRAAEDRXOMWKZ-UHFFFAOYSA-N
-rxn:4:221726:225633,CN(C1=NS(=O)(=O)c2ccccc21)C1CCN(c2ncc(-c3ccc(N4CCCCCC4)nc3)cn2)CC1,OFHCALWXXUKGOC-UHFFFAOYSA-N
-rxn:4:221726:225794,CN(C1=NS(=O)(=O)c2ccccc21)C1CCN(c2ncc(-c3cnc(OC4CCCCC4)nc3)cn2)CC1,WSBHIPGVSIAFSQ-UHFFFAOYSA-N
-rxn:4:221832:222819,O=C(Nc1ccc(-c2cnc(N3CCN(C4=NS(=O)(=O)c5ccccc54)CC3)nc2)cn1)N1CCOCC1,IPJHYEBGALASJU-UHFFFAOYSA-N
-rxn:4:221836:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cnc(N2CCCN(C3=NS(=O)(=O)c4ccccc43)CC2)nc1,PJDBSPKIOCJRKF-UHFFFAOYSA-N
-rxn:4:221836:222856,COc1ccc(C2CCNCC2)cc1-c1cnc(N2CCCN(C3=NS(=O)(=O)c4ccccc43)CC2)nc1,TXOFTVJRWZXXKT-UHFFFAOYSA-N
-rxn:4:221836:222891,COc1cc(-c2cnc(N3CCCN(C4=NS(=O)(=O)c5ccccc54)CC3)nc2)cc(C2CCNCC2)n1,GFYNVIGUWGQUKQ-UHFFFAOYSA-N
-rxn:4:221836:224155,CN1CCN(c2cc(-c3cnc(N4CCCN(C5=NS(=O)(=O)c6ccccc65)CC4)nc3)cc(C3CC3)c2)CC1,YHWUILJCSDKEDP-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:4:221836:224379,CN1CCN(S(=O)(=O)c2ccccc2-c2cnc(N3CCCN(C4=NS(=O)(=O)c5ccccc54)CC3)nc2)CC1,NPNRPWRDEBEIFW-UHFFFAOYSA-N
-rxn:4:221836:224633,COc1ccc(CN2CCOCC2)cc1-c1cnc(N2CCCN(C3=NS(=O)(=O)c4ccccc43)CC2)nc1,DHPQSMCCUWQLOE-UHFFFAOYSA-N
-rxn:4:221836:224971,CN1CCN(Cc2ccc(-c3cnc(N4CCCN(C5=NS(=O)(=O)c6ccccc65)CC4)nc3)cc2)CC1,RQQUYKNOVLBXES-UHFFFAOYSA-N
-rxn:4:221836:224973,CN1CCN(Cc2cccc(-c3cnc(N4CCCN(C5=NS(=O)(=O)c6ccccc65)CC4)nc3)c2)CC1,VHMDPVUWRZZAMU-UHFFFAOYSA-N
-rxn:4:221836:224974,CN1CCN(Cc2ccccc2-c2cnc(N3CCCN(C4=NS(=O)(=O)c5ccccc54)CC3)nc2)CC1,OGEBGIARYQIIBV-UHFFFAOYSA-N
-rxn:4:221836:225009,Cc1cnc(OC2CCCCC2)c(-c2cnc(N3CCCN(C4=NS(=O)(=O)c5ccccc54)CC3)nc2)c1,LDPJYKQVWNFZHY-UHFFFAOYSA-N
-rxn:4:221836:225124,O=S1(=O)N=C(N2CCCN(c3ncc(-c4ccnc(OCC5CCOCC5)c4)cn3)CC2)c2ccccc21,IFRUHUVRGUFECL-UHFFFAOYSA-N
-rxn:4:221967:223567,CC(=O)C(C(=O)N(C)C)n1cnc2c(nnn2-c2ccc(-c3cc4cc(OC(C)C)ccc4n3C(=O)OC(C)(C)C)cc2)c1=O,JMCCDZOSWQBVSV-UHFFFAOYSA-N
-rxn:4:221980:223638,CC(C)(C)OC(=O)N1CCN(c2cc(=O)n3nc(-c4cncc(-c5cccc(C6CCCN(C(=O)OC(C)(C)C)C6)c5)c4)sc3n2)CC1,MACDIKKBINZGMC-UHFFFAOYSA-N
-rxn:4:222031:222988,Cc1cc(-c2cc(C(F)(F)F)cnc2N2CCN(c3ccnc(N(C)C)n3)CC2)cc(C2CCNCC2)n1,RFHOGCLIJUEHCT-UHFFFAOYSA-N
-rxn:4:222044:223970,Cc1ccn(-c2ccc(N3CCN(S(=O)(=O)c4ccc(-c5ccc(C)c(S(=O)(=O)N6CCC(C)CC6)c5)cc4)CC3)nn2)n1,UNHZGSIJRYJJFV-UHFFFAOYSA-N
-rxn:4:222045:223970,Cc1ccn(-c2ccc(N3CCN(S(=O)(=O)c4cccc(-c5ccc(C)c(S(=O)(=O)N6CCC(C)CC6)c5)c4)CC3)nn2)n1,YIQNTSVFBBNZOQ-UHFFFAOYSA-N
-rxn:4:222046:225285,CCc1c(C)nc(C2CC2)nc1N1CCN(c2ncc(-c3cnc(CC(C)C)c(C(F)(F)F)c3)cn2)CC1,BQKYAOSUYPULPX-UHFFFAOYSA-N
-rxn:4:222062:226185,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C5CCOCC5)cc4)cc3)CC2)n1,ZGMIKMNAFSKPRY-UHFFFAOYSA-N
-rxn:4:222062:226187,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccc(C5CCOCC5)c4)cc3)CC2)n1,CJDPWFDEGJMDPL-UHFFFAOYSA-N
-rxn:4:222062:226645,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccnc(N5CCOCC5)c4)cc3)CC2)n1,LMUQTLUUANKBHC-UHFFFAOYSA-N
-rxn:4:222062:228063,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cnc5c(c4)COCC5)cc3)CC2)n1,OTILWOWDQCPYCJ-UHFFFAOYSA-N
-rxn:4:222062:228628,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(C5CCC5)cs4)cc3)CC2)n1,AFPDEAOZLLZUQU-UHFFFAOYSA-N
-rxn:4:222149:223608,O=S(=O)(c1cc(-c2cnc(N3CCN(c4nccc(C(F)(F)F)n4)CC3)nc2)ccc1OC(F)(F)F)N1CCOCC1,SWURYINXWQNKTK-UHFFFAOYSA-N
-rxn:4:222156:223530,CC(C)(C)OC(=O)N1CCN(Cc2ccc(F)cc2-c2cnc(N3CCN(c4ncnc(C5CC5)c4F)CC3)nc2)CC1,LNLGYCOPRGZULE-UHFFFAOYSA-N
-rxn:4:222329:223536,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cnc(N4CCN(c5nccc(N6CCCC6)n5)CC4)nc3)cc(F)c2F)CC1,PWUDWPHWXCRGPO-UHFFFAOYSA-N
-rxn:4:222331:223536,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cnc(N4CCN(c5nccc(N6CCOCC6)n5)CC4)nc3)cc(F)c2F)CC1,VAYUKDVCDOFHSU-UHFFFAOYSA-N
-rxn:4:222331:225213,CN1CCN(c2ccc(-c3cnc(N4CCN(c5nccc(N6CCOCC6)n5)CC4)nc3)c(Cl)c2)CC1,QQFUTCDNJSLTMD-UHFFFAOYSA-N
-rxn:4:222332:223536,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cnc(N4CCN(c5cc(N6CCOCC6)ncn5)CC4)nc3)cc(F)c2F)CC1,QBBCOQWYJFOKDL-UHFFFAOYSA-N
-rxn:4:222333:223536,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cnc(N4CCN(c5ccc(N6CCOCC6)nn5)CC4)nc3)cc(F)c2F)CC1,XVSQCCKEGZQHFN-UHFFFAOYSA-N
-rxn:4:222336:223588,Cc1cc(C)n(-c2ccc(=O)n(C3CCN(c4ncc(-c5cnc(N6CCN(C(=O)OC(C)(C)C)CC6)c(C)c5)cn4)CC3)n2)n1,NUOOXXLAKJAJMV-UHFFFAOYSA-N
-rxn:4:222337:224575,Cc1cc(N2CCOCC2)nc(N2CCN(c3ncc(-c4ccc(N5CCC(C)CC5)cc4C#N)cn3)CC2)n1,QWZVWKBJEBEEEI-UHFFFAOYSA-N
-rxn:4:222338:224818,Cc1nc(N2CCOCC2)cc(N2CCN(c3ncc(-c4ccc(S(=O)(=O)N5CCSCC5)cc4)cn3)CC2)n1,VTIBCUUHUORKPR-UHFFFAOYSA-N
-rxn:4:222361:223839,COCCn1cnc2c(N3CC4CN(c5ncc(-c6cc(S(=O)(=O)N7CCN(C)CC7)ccc6OC)cn5)CC4C3)ncnc21,HIFSHAOANOLPCL-UHFFFAOYSA-N
-rxn:4:222379:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3cnc(N4CCN(c5ncnc6c5ncn6C5CC5)CC4)nc3)c2)CC1,NJDPJENWBLXFLB-UHFFFAOYSA-N
-rxn:4:222389:219986,Cc1cncnc1N1CCN(Cc2ccccc2-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)CC1,GCAFJVUXRPOHON-UHFFFAOYSA-N
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-rxn:4:222523:176514,CC(C)(C)NS(=O)(=O)c1ccc(-c2cc(C(=O)C(F)(F)F)cc(C(F)(F)F)c2)c(C(F)(F)F)c1,PWXPXGWHYNMFPH-UHFFFAOYSA-N
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-rxn:5:178225:225833:226069,Fc1c(-c2cccc(OCC3CCCCC3)c2-c2cccc(C3CCCCC3)c2)ccnc1N1CCCCC1,LNRHQYDXHLDRGL-UHFFFAOYSA-N
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-rxn:5:178295:226920:228279,CCc1cc(F)c(-c2ccc(-c3cc(C(C)(C)C)ccc3C)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)c1,NMJIVAZOPQYLAP-UHFFFAOYSA-N
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-rxn:5:178295:227102:226913,CCc1cc(-c2ccc(-c3cc(C(C)(C)C)ccc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc(C2CC2)c1,WUYHDWMOLADEFK-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
-rxn:5:178295:228261:226911,CCc1cc(C)cc(CC)c1-c1ccc(-c2c(SC)ccc(F)c2C)c(C2(C(=O)OC)CCC(=O)CC2)c1,PMYANAOXESZUMU-UHFFFAOYSA-N
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-rxn:5:180662:227506:223002,COC(=O)C1=Cc2cc(-c3ccc(C4CCNCC4)cc3F)cc(-c3cccc(/C=C/[N+](=O)[O-])c3)c2OC1,LTCCEQKZQDKJRD-FMIVXFBMSA-N
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-rxn:5:181628:225674:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2cnc(C3CCCCC3)cc2F)cc1C1OCCO1,CIDFPJHCXLTCKW-UHFFFAOYSA-N
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-rxn:5:181905:225407:225683,Cc1ccc(-c2ccc(C3CCCOC3)nc2C)c(C2OCCO2)c1-c1ccc(C2CCCCCC2)cc1,IZZYMCCVTYUKQC-UHFFFAOYSA-N
-rxn:5:181906:222987:225633,Cc1ccc(-c2ccc(C3CCNCC3)nc2C)c(C2OCCO2)c1-c1ccc(N2CCCCCC2)nc1,MRCZAHPNCJFBGV-UHFFFAOYSA-N
-rxn:5:181906:225986:225641,Cc1ccc(-c2ccccc2N2CCCS2(=O)=O)c(C2OCCO2)c1-c1ccnc(N2CCCC(C)C2)c1,IAAJKBVCEBQQRR-UHFFFAOYSA-N
-rxn:5:181907:225466:222987,Cc1cc(-c2ccc(N3CCCCC3C)cc2)c(-c2ccc(C3CCNCC3)nc2C)c(C2OCCO2)c1,VPEKKKNEORCKIQ-UHFFFAOYSA-N
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-rxn:5:181908:225514:222987,Cc1cc(-c2cccc3c2OCC2(CC2)CO3)c(-c2ccc(C3CCNCC3)nc2C)cc1C1OCCO1,RLUBQWIPZYKVHX-UHFFFAOYSA-N
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-rxn:5:181908:225987:225597,Cc1cc(-c2ccc(N3CCCS3(=O)=O)cc2)c(-c2ccc(OC3CCCCC3)nc2)cc1C1OCCO1,ZEKOYNUFEXWLRL-UHFFFAOYSA-N
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-rxn:5:182009:225832:223146,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2cccc(C3CNCCO3)c2)cc1C1CCOCC1,DNZSIKPWVLOFKW-UHFFFAOYSA-N
-rxn:5:182009:226186:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2ccccc2C2CCOCC2)c(C2CCOCC2)c1,PCAFGIGNMIAZEL-UHFFFAOYSA-N
-rxn:5:182010:226069:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(C2CCOCC2)c(-c2cccc(C3CCCCC3)c2)c1,GQYQVYZXTUIGLY-UHFFFAOYSA-N
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-rxn:5:188446:222996:223063,COC(=O)c1cc(-c2ccc(F)cc2C2CCCNC2)c(-c2cc(F)nc(C3CCNCC3)c2)c([N+](=O)[O-])c1,WVXOBSVLYWZKDV-UHFFFAOYSA-N
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-rxn:5:188787:223058:226331,N#CC1(c2ccc(-c3cc(OC4CC4)c([N+](=O)[O-])cc3-c3cc(F)nc(C4CCCNC4)c3)c(F)c2)CC1,AUISLORWNVFUEQ-UHFFFAOYSA-N
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-rxn:5:188787:223148:223058,O=[N+]([O-])c1cc(-c2ccccc2C2CNCCO2)c(-c2cc(F)nc(C3CCCNC3)c2)cc1OC1CC1,SGKGWIZXJKPYER-UHFFFAOYSA-N
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-rxn:5:188787:226326:223062,N#CC1(c2cccc(-c3cc([N+](=O)[O-])c(OC4CC4)cc3-c3cnc(C4CCNCC4)cc3F)c2F)CC1,OYPQBVKNLJJCOJ-UHFFFAOYSA-N
-rxn:5:188787:226326:223063,N#CC1(c2cccc(-c3cc([N+](=O)[O-])c(OC4CC4)cc3-c3cc(F)nc(C4CCNCC4)c3)c2F)CC1,NPEOLXRJIQMPBX-UHFFFAOYSA-N
-rxn:5:188787:226331:223058,N#CC1(c2ccc(-c3cc([N+](=O)[O-])c(OC4CC4)cc3-c3cc(F)nc(C4CCCNC4)c3)c(F)c2)CC1,NMSWIARNZRCWPH-UHFFFAOYSA-N
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-rxn:5:188931:227093:225794,COC(=O)c1cc(-c2cccnc2C2CCCC2)cc(S(N)(=O)=O)c1-c1cnc(OC2CCCCC2)nc1,UGZWLHHJDNIWKV-UHFFFAOYSA-N
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-rxn:5:189208:223006:229089,CC(=O)c1sccc1-c1cc(-c2ccc(F)c(C3CCNCC3)c2)ccc1C(=O)ON1C(=O)CCC1=O,RFCGAYMCKLUHRJ-UHFFFAOYSA-N
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-rxn:5:189662:227710:226662,CN1CCN(c2ccc(-c3ncc(-c4ccc(OS(C)(=O)=O)cc4)cc3OCC3CCOCC3)s2)CC1,HHYVQADJAHCPRE-UHFFFAOYSA-N
-rxn:5:189665:225634:227710,Cc1cc(-c2cnc(OCC3CCOCC3)c(-c3ccc(OS(C)(=O)=O)cc3)c2)cnc1N1CCCCC1,KQAYTITWRSLKRJ-UHFFFAOYSA-N
-rxn:5:189665:226661:227710,CN1CCN(c2csc(-c3cnc(OCC4CCOCC4)c(-c4ccc(OS(C)(=O)=O)cc4)c3)c2)CC1,GDKNZQKLUKVBDZ-UHFFFAOYSA-N
-rxn:5:189665:226662:227710,CN1CCN(c2ccc(-c3cnc(OCC4CCOCC4)c(-c4ccc(OS(C)(=O)=O)cc4)c3)s2)CC1,TVMFBRLGMZPYPT-UHFFFAOYSA-N
-rxn:5:189665:227710:226662,CN1CCN(c2ccc(-c3cc(-c4ccc(OS(C)(=O)=O)cc4)cnc3OCC3CCOCC3)s2)CC1,ANSXTZQZXOWHRP-UHFFFAOYSA-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:5:189674:226064:226662,CN1CCN(c2ccc(-c3ccc(/C=N/S(=O)C(C)(C)C)c(-c4ccc(C5CCCCC5)cc4)c3)s2)CC1,CSIQEKYULKTCIJ-GZZLJNBRSA-N
-rxn:5:189718:225802:226686,Cc1cnn(C2CCCCO2)c1-c1cc([N+](=O)[O-])c(OC2CCOCC2)cc1-c1ccc(OC2CCCC2)nc1F,ZFAUSYMJWARCRR-UHFFFAOYSA-N
-rxn:5:189718:227426:223113,CC1(C)C(=O)Nc2ccc(-c3cc([N+](=O)[O-])c(OC4CCOCC4)cc3-c3ccc(C4CCCO4)nc3)cc21,NYZPMLAWGVPBGL-UHFFFAOYSA-N
-rxn:5:189826:223007:223148,O=C(Cc1ccc(-c2ccccc2C2CNCCO2)cc1-c1cc(F)cc(C2CCNCC2)c1)N1CCOCC1,OUBOVNURGFONME-UHFFFAOYSA-N
-rxn:5:189908:225601:227330,COC(=O)c1ccc(-c2ncc(-c3ccc(C4(C#N)CCC4)cc3F)cc2OCC2CCCCC2)c(C)c1,JQGNSVUCRHUUDR-UHFFFAOYSA-N
-rxn:5:189908:227023:225976,CC(c1ccc(-c2cnc(-c3ccnc(N4CCOCC4)c3F)c(OCC3CCCCC3)c2)cc1)N(C)C,KBFPBTBKPVGUFN-UHFFFAOYSA-N
-rxn:5:189908:227803:223294,CN(C)S(=O)(=O)n1nccc1-c1cnc(-c2csc(N3CCNCC3)n2)c(OCC2CCCCC2)c1,VOLBPEGRAJRFIC-UHFFFAOYSA-N
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-rxn:5:189952:225784:225982,COc1c(-c2ccc(CN3CCOCC3)nc2)cc(C(=O)N2CCOCC2)cc1-c1cnc(N2CCOCC2)cc1F,BQPFKZGODQHPFA-UHFFFAOYSA-N
-rxn:5:189952:226794:226366,COc1c(-c2cnc(N3CCSCC3)nc2)cc(C(=O)N2CCOCC2)cc1-c1ccnc(N2CCCCC2)c1,GNIKWHOYHCPGHK-UHFFFAOYSA-N
-rxn:5:190097:227297:226661,CN(C)Cc1ccc(F)c(-c2ccc(-c3cc(N4CCN(C)CC4)cs3)c(CCN3CCCCC3)c2)c1,IZTZVVGUJKPQHQ-UHFFFAOYSA-N
-rxn:5:190097:227297:226662,CN(C)Cc1ccc(F)c(-c2ccc(-c3ccc(N4CCN(C)CC4)s3)c(CCN3CCCCC3)c2)c1,LEQFYDBCKLGKSR-UHFFFAOYSA-N
-rxn:5:190127:225654:223014,COC(=O)c1cccc2[nH]c(-c3ccc(-c4ccc(N5CCCC(C)C5)nc4)cc3C(=O)N3CCC(OC)CC3)cc12,JYBFZJIGUOJDMQ-UHFFFAOYSA-N
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-rxn:5:190131:228481:227612,COc1c(-c2ccnc(C(F)(F)F)c2)cc(C(=O)N2CCCCC2)cc1-c1cnn(C2CCCCO2)c1,DDZSDYOLWWOOMY-UHFFFAOYSA-N
-rxn:5:190132:228462:226341,COc1cc(F)c(C(C)C)cc1-c1cc(-c2ccnc(OC(F)F)c2)ccc1C(=O)N1CCC(OC)CC1,JCAKTJLUZWCISG-UHFFFAOYSA-N
-rxn:5:190194:227040:225453,COC1CCN(Cc2cccc(-c3cc(C)ccc3OC(C)C)c2-c2cccc(SC3CCCCC3)c2)CC1,WPCIWEYLMKPULD-UHFFFAOYSA-N
-rxn:5:190194:227298:226794,COC1CCN(Cc2cccc(-c3cc(F)ccc3CN(C)C)c2-c2cnc(N3CCSCC3)nc2)CC1,UYYUNXGUEQQDSO-UHFFFAOYSA-N
-rxn:5:190194:227710:227656,COC1CCN(Cc2cccc(-c3ccc(OS(C)(=O)=O)cc3)c2-c2cc(N3CCOCC3)cs2)CC1,KEGUMCMVESABDL-UHFFFAOYSA-N
-rxn:5:190195:222417:226583,CC(C)c1[nH]c(=O)ncc1-c1ccc(CN(C)C2CCOCC2)cc1-c1ccc(CN2CCOCC2)s1,LXQQVXAAFUOUPP-UHFFFAOYSA-N
-rxn:5:190195:226654:227299,CC1CCN(c2nc(-c3ccc(CN(C)C4CCOCC4)cc3-c3cc(F)cc(CN(C)C)c3)cs2)CC1,MSSRZGQXNWGHIN-UHFFFAOYSA-N
-rxn:5:190196:225640:227297,CC1CCCCN1c1cc(-c2ccc(CN(C)C3CCOCC3)c(-c3cc(CN(C)C)ccc3F)c2)ccn1,RSCPFXODSZTHKV-UHFFFAOYSA-N
-rxn:5:190196:225834:227297,CN(C)Cc1ccc(F)c(-c2cc(-c3cc(N4CCCCC4)ncc3F)ccc2CN(C)C2CCOCC2)c1,BGEBFMMROCUROI-UHFFFAOYSA-N
-rxn:5:190196:225986:227611,CN(Cc1ccc(-c2ccccc2N2CCCS2(=O)=O)cc1-c1ccnn1C1CCCCO1)C1CCOCC1,VNYKPQMSUUPSJH-UHFFFAOYSA-N
-rxn:5:190196:226425:227299,CC1CCCCN1c1ccc(-c2ccc(CN(C)C3CCOCC3)c(-c3cc(F)cc(CN(C)C)c3)c2)s1,MGBRNHVWYAECFZ-UHFFFAOYSA-N
-rxn:5:190196:226658:227298,CN(C)Cc1ccc(F)cc1-c1cc(-c2ccc(N3CCCC3)nc2F)ccc1CN(C)C1CCOCC1,XUNNJEANSYPBSQ-UHFFFAOYSA-N
-rxn:5:190196:227299:226425,CC1CCCCN1c1ccc(-c2cc(-c3cc(F)cc(CN(C)C)c3)ccc2CN(C)C2CCOCC2)s1,CXZJGGMVWWNALM-UHFFFAOYSA-N
-rxn:5:190196:227496:223063,CCN(C)c1cc(F)c(-c2ccc(CN(C)C3CCOCC3)c(-c3cc(F)nc(C4CCNCC4)c3)c2)cn1,SKHYFPBONDEYDD-UHFFFAOYSA-N
-rxn:5:190196:228374:226045,Cc1cc([N+](=O)[O-])ccc1-c1ccc(CN(C)C2CCOCC2)c(-c2ccc(C(F)(F)C(F)(F)F)nc2)c1,QXMVMLLCNHUBJD-UHFFFAOYSA-N
-rxn:5:190197:223294:227710,CN(Cc1ccc(-c2ccc(OS(C)(=O)=O)cc2)cc1-c1csc(N2CCNCC2)n1)C1CCOCC1,IURCLXFLJDSEFI-UHFFFAOYSA-N
-rxn:5:190197:225980:227301,CN(C)Cc1cc(F)ccc1-c1ccc(CN(C)C2CCOCC2)c(-c2cc(N3CCOCC3)ncc2F)c1,LCXVHNPQNYRBIQ-UHFFFAOYSA-N
-rxn:5:190197:227297:226658,CN(C)Cc1ccc(F)c(-c2cc(-c3ccc(N4CCCC4)nc3F)ccc2CN(C)C2CCOCC2)c1,MTERWFOLVGRXJK-UHFFFAOYSA-N
-rxn:5:190197:227299:226654,CC1CCN(c2nc(-c3ccc(CN(C)C4CCOCC4)c(-c4cc(F)cc(CN(C)C)c4)c3)cs2)CC1,ZZZAWGGBOXDWBV-UHFFFAOYSA-N
-rxn:5:190198:225833:228693,CCN(C)c1ccc(-c2cccc(-c3ccnc(N4CCCCC4)c3F)c2CN(C)C2CCOCC2)s1,GHLMDTLACZBTNE-UHFFFAOYSA-N
-rxn:5:190198:227299:226425,CC1CCCCN1c1ccc(-c2cccc(-c3cc(F)cc(CN(C)C)c3)c2CN(C)C2CCOCC2)s1,IIAKKJMMGQPHJW-UHFFFAOYSA-N
-rxn:5:190199:225499:226754,CCOc1c(F)cc(F)c(-c2ccc(-c3ccc(C4CCCCC4)cc3F)c(CN(C)C3CCOCC3)c2)c1F,BNWQDIGNWNEPRH-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:5:190199:226425:227299,CC1CCCCN1c1ccc(-c2ccc(-c3cc(F)cc(CN(C)C)c3)cc2CN(C)C2CCOCC2)s1,YHKQYNDHWOMSEC-UHFFFAOYSA-N
-rxn:5:190199:227298:226425,CC1CCCCN1c1ccc(-c2ccc(-c3cc(F)ccc3CN(C)C)c(CN(C)C3CCOCC3)c2)s1,NOEYUZLLVKIKIJ-UHFFFAOYSA-N
-rxn:5:190199:227298:226426,CC1CCN(c2ccc(-c3ccc(-c4cc(F)ccc4CN(C)C)c(CN(C)C4CCOCC4)c3)s2)CC1,TUNMVWRUSWIURG-UHFFFAOYSA-N
-rxn:5:190199:227298:226429,CC1CCCN(c2ccc(-c3ccc(-c4cc(F)ccc4CN(C)C)c(CN(C)C4CCOCC4)c3)s2)C1,DFBUNSQOGOJICF-UHFFFAOYSA-N
-rxn:5:190199:227298:226654,CC1CCN(c2nc(-c3ccc(-c4cc(F)ccc4CN(C)C)c(CN(C)C4CCOCC4)c3)cs2)CC1,YGSUKVHDSUYGFD-UHFFFAOYSA-N
-rxn:5:190199:227299:226424,CC1CCCN(c2csc(-c3ccc(-c4cc(F)cc(CN(C)C)c4)c(CN(C)C4CCOCC4)c3)c2)C1,KRDUSRVIHUQWMG-UHFFFAOYSA-N
-rxn:5:190199:227299:226654,CC1CCN(c2nc(-c3ccc(-c4cc(F)cc(CN(C)C)c4)c(CN(C)C4CCOCC4)c3)cs2)CC1,RBLDMEMXCJRSCZ-UHFFFAOYSA-N
-rxn:5:190199:227301:226424,CC1CCCN(c2csc(-c3ccc(-c4ccc(F)cc4CN(C)C)c(CN(C)C4CCOCC4)c3)c2)C1,CEQCFDRAXRQLIA-UHFFFAOYSA-N
-rxn:5:190199:227301:226425,CC1CCCCN1c1ccc(-c2ccc(-c3ccc(F)cc3CN(C)C)c(CN(C)C3CCOCC3)c2)s1,NSKRFVOAZPERCH-UHFFFAOYSA-N
-rxn:5:190199:227301:226426,CC1CCN(c2ccc(-c3ccc(-c4ccc(F)cc4CN(C)C)c(CN(C)C4CCOCC4)c3)s2)CC1,YMEGZCOUNSMFOD-UHFFFAOYSA-N
-rxn:5:190199:227301:226429,CC1CCCN(c2ccc(-c3ccc(-c4ccc(F)cc4CN(C)C)c(CN(C)C4CCOCC4)c3)s2)C1,XNOYDKSAHVGUJJ-UHFFFAOYSA-N
-rxn:5:190199:227301:226654,CC1CCN(c2nc(-c3ccc(-c4ccc(F)cc4CN(C)C)c(CN(C)C4CCOCC4)c3)cs2)CC1,ZQUXFUYHVLPCHB-UHFFFAOYSA-N
-rxn:5:190200:226134:226188,Cc1cc([Si](C)(C)C)c(C)cc1-c1cc(CN(C)C2CCOCC2)cc(-c2cc(C#N)cc(C3CC3)c2C)c1,YHBJGMLASFJVMZ-UHFFFAOYSA-N
-rxn:5:190201:222417:223061,CC1CN(CCc2cc(-c3cnc(=O)[nH]c3C(C)C)ccc2-c2cc(C3CCNCC3)ncc2F)CCO1,LUCTYNPWVFOQOD-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:5:190231:225656:226644,COc1c(-c2cncc(N3CCOCC3)c2)cc(C(=O)N2CCOC(C)C2)cc1-c1cncc(N2CCCCC2C)c1,DDJXXWHUGKFIBZ-UHFFFAOYSA-N
-rxn:5:190231:226679:226664,COc1c(-c2cnc(N3CCCC3)cc2F)cc(C(=O)N2CCOC(C)C2)cc1-c1cc(N2CCCC2)ncc1F,MDANTNSUPINPSQ-UHFFFAOYSA-N
-rxn:5:190231:227529:227437,COC(=O)c1ccc(-c2cc(C(=O)N3CCOC(C)C3)cc(-c3ccnc(C4CCCO4)c3)c2OC)c(F)c1,QQBPOQMWIIPXOW-UHFFFAOYSA-N
-rxn:5:190264:225509:226415,CC1CCN(C(=O)Cc2ccc(-c3ccccc3N3CCOCC3)c(-c3ccc4c(C5CC5)nn(C)c4c3)c2)CC1,UJBOTCQOZQYNNA-UHFFFAOYSA-N
-rxn:5:190265:226857:227936,CC1CCCN(C(=O)Cc2ccc(-c3cccc(SC4CC4)c3)c(-c3cc(OC(F)(F)F)ccc3F)c2)C1,MTUJXKYKXUUTQN-UHFFFAOYSA-N
-rxn:5:190307:223294:227301,CC1CCN(CCc2cc(-c3csc(N4CCNCC4)n3)ccc2-c2ccc(F)cc2CN(C)C)CC1,XETGGHDGGWCZAK-UHFFFAOYSA-N
-rxn:5:190309:226325:227688,COc1ccc([N+](=O)[O-])cc1-c1ccc(-c2ccc(C(C)(C)C#N)cc2F)cc1CCN1CCCCC1C,JMRYACQEADWRQS-UHFFFAOYSA-N
-rxn:5:190335:223001:228305,COc1c(-c2cnc(OC(C)C)cn2)cc(C(=O)N2CCCCC2C)cc1-c1cc(C2CCCNC2)ccc1F,LXQCWJGRMOBPLI-UHFFFAOYSA-N
-rxn:5:190335:226174:228435,COc1c(-c2ccc(C3CCCCC3)nc2)cc(C(=O)N2CCCCC2C)cc1-c1c(SC)ccc(F)c1F,XKBSBOCFJRLKSQ-UHFFFAOYSA-N
-rxn:5:190336:226746:223191,CCc1cnc(C(F)(F)F)cc1-c1cc(C(=O)N2CCCC(C)C2)cc(-c2ccc(S(=O)(=O)NC)c(F)c2)c1OC,CSRKZXLQJFWPDQ-UHFFFAOYSA-N
-rxn:5:190336:228198:227779,COc1c(-c2cnc(C(C)C)nc2C)cc(C(=O)N2CCCC(C)C2)cc1-c1cc([N+](=O)[O-])cc(F)c1F,OVXQOQFROUOFEE-UHFFFAOYSA-N
-rxn:5:190337:228503:226748,COc1cc(C(F)(F)F)ccc1-c1cc(C(=O)N2CCC(C)CC2)cc(-c2ccc3c(c2)CCC3)c1OC,JWXLETWGZDHOQX-UHFFFAOYSA-N
-rxn:5:190421:225407:227706,COc1cnc(C(F)F)c(-c2cccc(N3C(=O)C(=Cc4ccc(-c5ccc(-c6ccc(C7CCCCCC7)cc6)cc5)o4)SC3=S)c2)c1,PLVGRBNTKYPLFL-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:5:190484:227826:225671,CC(C)(C)c1cccc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4cc(C5CCCCC5)ncc4F)S(=O)(=O)CC3)c2)c1,AXMNDPWNXUFTIQ-UHFFFAOYSA-N
-rxn:5:190740:223065:223056,CCOC(=O)c1cnc2c(C)cc(-c3ccc(N4CCNCC4)cc3F)cc2c1-c1ccc(N2CCC(O)CC2)nc1,IUAJTXMYNBMWBD-UHFFFAOYSA-N
-rxn:5:190740:225881:225674,CCOC(=O)c1cnc2c(C)cc(-c3ccc(C4CCOCC4)nc3F)cc2c1-c1cnc(C2CCCCC2)cc1F,ZHTDNTYVVCYXAF-UHFFFAOYSA-N
-rxn:5:190741:223064:225849,CCOC(=O)c1cnc2c(-c3ccc(C4CCNCC4)nc3F)cc(C)cc2c1-c1cnc(N2CCCCC2)cc1F,ABPYUHFUUROCMX-UHFFFAOYSA-N
-rxn:5:190741:225656:225833,CCOC(=O)c1cnc2c(-c3cncc(N4CCCCC4C)c3)cc(C)cc2c1-c1ccnc(N2CCCCC2)c1F,AQWAVRPOROQRBB-UHFFFAOYSA-N
-rxn:5:190741:225833:223062,CCOC(=O)c1cnc2c(-c3ccnc(N4CCCCC4)c3F)cc(C)cc2c1-c1cnc(C2CCNCC2)cc1F,XVGRINQHEBFNFD-UHFFFAOYSA-N
-rxn:5:190741:225833:225633,CCOC(=O)c1cnc2c(-c3ccnc(N4CCCCC4)c3F)cc(C)cc2c1-c1ccc(N2CCCCCC2)nc1,PTAUCDCEJVZBRJ-UHFFFAOYSA-N
-rxn:5:190741:225881:223006,CCOC(=O)c1cnc2c(-c3ccc(C4CCOCC4)nc3F)cc(C)cc2c1-c1ccc(F)c(C2CCNCC2)c1,DFPLTNPYZKLHEJ-UHFFFAOYSA-N
-rxn:5:190742:223056:225978,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(N4CCC(O)CC4)nc3)c2c1-c1ccc(N2CCOCC2)nc1F,GTMAFEDDEBMIKQ-UHFFFAOYSA-N
-rxn:5:190742:223062:226583,CCOC(=O)c1cnc2c(C)ccc(-c3cnc(C4CCNCC4)cc3F)c2c1-c1ccc(CN2CCOCC2)s1,LQFWJRCVSWUOHA-UHFFFAOYSA-N
-rxn:5:190742:223064:225833,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(C4CCNCC4)nc3F)c2c1-c1ccnc(N2CCCCC2)c1F,SYXHRHGTYLJQGW-UHFFFAOYSA-N
-rxn:5:190742:225849:225784,CCOC(=O)c1cnc2c(C)ccc(-c3cnc(N4CCCCC4)cc3F)c2c1-c1ccc(CN2CCOCC2)nc1,OXGUDZSSQKRQSZ-UHFFFAOYSA-N
-rxn:5:190742:225849:225849,CCOC(=O)c1cnc2c(C)ccc(-c3cnc(N4CCCCC4)cc3F)c2c1-c1cnc(N2CCCCC2)cc1F,RCVDFMYQKOKKEO-UHFFFAOYSA-N
-rxn:5:190742:225978:225590,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(N4CCOCC4)nc3F)c2c1-c1ccc(CN2CCCC2)c(F)c1,FZWWKHZUNANSOB-UHFFFAOYSA-N
-rxn:5:190742:225978:225655,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(N4CCOCC4)nc3F)c2c1-c1cncc(N2CCC(C)CC2)c1,OIRFTOJMVLVBQZ-UHFFFAOYSA-N
-rxn:5:190742:226583:223006,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(CN4CCOCC4)s3)c2c1-c1ccc(F)c(C2CCNCC2)c1,SQHAWKKUZKUQEJ-UHFFFAOYSA-N
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-rxn:5:190799:225453:226069,CC(C)(C)OC(=O)n1ccc2c(-c3cccc(SC4CCCCC4)c3)c(-c3cccc(C4CCCCC4)c3)ccc21,VYGJREXQKONMOL-UHFFFAOYSA-N
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-rxn:5:192880:225639:226898,Cc1nn(S(=O)(=O)N(C)C)cc1-c1c(-c2cccnc2N2CCC(C)CC2)ccnc1OC1CCCC1,YWZUNCPNYDIJGB-UHFFFAOYSA-N
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-rxn:5:192880:226898:223062,Cc1nn(S(=O)(=O)N(C)C)cc1-c1ccnc(OC2CCCC2)c1-c1cnc(C2CCNCC2)cc1F,AZKRJSNTYXPXJQ-UHFFFAOYSA-N
-rxn:5:192880:226898:225597,Cc1nn(S(=O)(=O)N(C)C)cc1-c1ccnc(OC2CCCC2)c1-c1ccc(OC2CCCCC2)nc1,UDWAPHUUVWFGNF-UHFFFAOYSA-N
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-rxn:5:193053:226742:225802,N#Cc1ccc(-c2cc(C(=O)N3CCCC3)cc(-c3ccc(OC4CCCC4)nc3F)c2)c(C(F)(F)F)c1,KFGBNUCKOAUOOO-UHFFFAOYSA-N
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-rxn:5:193229:226326:223135,N#CC1(c2cccc(-c3cccc(C(=O)N4CCOCC4)c3-c3cccnc3C3CCCNC3)c2F)CC1,PGMAKMYSUNVEIG-UHFFFAOYSA-N
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-rxn:5:193382:225874:223139,O=S(=O)(c1ccc(-c2ccc(F)c(N3CCOCC3)c2)cc1-c1ccc(C2CCNCC2)nc1)N1CCOCC1,VVUNAGVLFZDSMX-UHFFFAOYSA-N
-rxn:5:193382:225879:227969,Cc1nccc(-c2cc(-c3ccc(N4CCOCC4)cc3F)ccc2S(=O)(=O)N2CCOCC2)c1C1CC1,CMJGYMZEPDDXEV-UHFFFAOYSA-N
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-rxn:5:193382:226366:226679,O=S(=O)(c1ccc(-c2ccnc(N3CCCCC3)c2)cc1-c1cnc(N2CCCC2)cc1F)N1CCOCC1,ZLVFNLYKFIQTNU-UHFFFAOYSA-N
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-rxn:5:193382:227086:223000,O=S(=O)(c1ccc(-c2ccnc(C3CCCC3)c2)cc1-c1ccc(C2CCCNC2)c(F)c1)N1CCOCC1,NPLZNWSBKDGTQN-UHFFFAOYSA-N
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-rxn:5:193382:227755:226211,CC(=O)N1CCc2cc(-c3cc(-c4cc(C(F)(F)F)ccc4F)ccc3S(=O)(=O)N3CCOCC3)ccc21,MSOIZRJRUIZKMR-UHFFFAOYSA-N
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-rxn:5:193382:228210:222987,Cc1nc(C2CCNCC2)ccc1-c1cc(-c2ccc(N3CCCC3)s2)ccc1S(=O)(=O)N1CCOCC1,YLNNVTDNZCQCOY-UHFFFAOYSA-N
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-rxn:5:193460:227801:225884,O=C(c1cccc(-c2c(C(F)(F)F)ccnc2F)c1-c1ccc(C2COCCO2)c(F)c1)N1CCCCC1,LYLIXNFIIXSYLD-UHFFFAOYSA-N
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-rxn:5:193465:225623:226771,COC(=O)c1cc(F)c(F)cc1-c1cccc(C(=O)N2CCC[C@@H]2C)c1-c1cccc(OC2CCOCC2)c1,ZNYFFRDEWSYQSB-IBGZPJMESA-N
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-rxn:5:193469:225597:225661,Cc1cc(N2CCOCC2)ccc1-c1cc(-c2ccc(OC3CCCCC3)nc2)ccc1C(=O)N1CCC[C@H]1C,AKSONYMTPXVWTF-RUZDIDTESA-N
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-rxn:5:193539:225456:225873,CN1CCC(c2ccc(-c3ccc(CN4CCCCC4)cc3-c3cccc(N4CCOCC4=O)c3)cc2)CC1,SNPGUSCPEKPGGT-UHFFFAOYSA-N
-rxn:5:193541:225611:226652,COc1cc(N2CCCC2)ccc1-c1cc(CN2CCCCC2)cc(-c2cc(C)nn2C2CCCCO2)c1,YEIYMYHBZQOPDJ-UHFFFAOYSA-N
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-rxn:5:193681:225986:223135,CN1CCC(Oc2cc(-c3ccccc3N3CCCS3(=O)=O)ccc2-c2cccnc2C2CCCNC2)CC1,UQWGFBMWEXPKPJ-UHFFFAOYSA-N
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-rxn:5:193756:225591:226849,COc1nccc(-c2cc(-c3cc(CN4CCCC4)ccc3F)ccc2C(=O)N2CCCCC2C)c1C(F)(F)F,LEYMMSVCJANQTI-UHFFFAOYSA-N
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-rxn:5:193756:225671:227701,COC(=O)c1cc(-c2cc(-c3cc(C4CCCCC4)ncc3F)ccc2C(=O)N2CCCCC2C)c(F)cn1,JYVKWZJSFGJCGP-UHFFFAOYSA-N
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-rxn:5:193756:225808:226844,CC1CCCCN1C(=O)c1ccc(-c2cc(OC3CCCC3)ncc2F)cc1-c1ccnc(C(=O)C(F)(F)F)c1,VAEPAQQRBGVQGC-UHFFFAOYSA-N
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-rxn:5:193756:226177:226324,CC1CCCCN1C(=O)c1ccc(-c2ccnc(C3CCCCC3)c2)cc1-c1cccnc1OC1CCCC1,YZLDJTSEFNIRQR-UHFFFAOYSA-N
-rxn:5:193756:226338:226747,CCc1ncc(-c2cc(-c3ccnc(OC4CCCC4)c3)ccc2C(=O)N2CCCCC2C)cc1C(F)(F)F,HMEKLHPUCZGMDK-UHFFFAOYSA-N
-rxn:5:193756:226374:225592,CC1CCCCN1C(=O)c1ccc(-c2cncnc2C2CCCCC2)cc1-c1cc(F)ccc1CN1CCCC1,GZUZEZJBRAIOSH-UHFFFAOYSA-N
-rxn:5:193756:226438:225806,CC1CCCCN1C(=O)c1ccc(-c2cnc(C3CCCC3)cc2F)cc1-c1cnc(OC2CCCC2)cc1F,SMLLWKRNOUUQAQ-UHFFFAOYSA-N
-rxn:5:193756:226679:225592,CC1CCCCN1C(=O)c1ccc(-c2cnc(N3CCCC3)cc2F)cc1-c1cc(F)ccc1CN1CCCC1,XKEOSPUWLVWVSH-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
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-rxn:5:193807:223010:227761,CC1CCN(Cc2cccc(-c3ccc(F)cc3C(F)(F)F)c2-c2ccc(C3(O)CCOCC3)cc2)CC1,ZZTIWEWTQARRIM-UHFFFAOYSA-N
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-rxn:5:193807:227298:226654,CC1CCN(Cc2cccc(-c3csc(N4CCC(C)CC4)n3)c2-c2cc(F)ccc2CN(C)C)CC1,BQXWZTABPWIWJM-UHFFFAOYSA-N
-rxn:5:193807:227301:225980,CC1CCN(Cc2cccc(-c3cc(N4CCOCC4)ncc3F)c2-c2ccc(F)cc2CN(C)C)CC1,BKDNJISTMCPAPI-UHFFFAOYSA-N
-rxn:5:193807:227301:225982,CC1CCN(Cc2cccc(-c3cnc(N4CCOCC4)cc3F)c2-c2ccc(F)cc2CN(C)C)CC1,UMZGOUMCFZSHLZ-UHFFFAOYSA-N
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-rxn:5:193809:225802:226744,CCc1cc(-c2cc(-c3ccc(OC4CCCC4)nc3F)ccc2CN2CCC(C)CC2)cnc1C(F)(F)F,NMWHZIVOZKTPOM-UHFFFAOYSA-N
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-rxn:5:193809:225980:227298,CC1CCN(Cc2ccc(-c3cc(N4CCOCC4)ncc3F)cc2-c2cc(F)ccc2CN(C)C)CC1,JQJKDVYHWYPZEM-UHFFFAOYSA-N
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-rxn:5:193809:225982:227298,CC1CCN(Cc2ccc(-c3cnc(N4CCOCC4)cc3F)cc2-c2cc(F)ccc2CN(C)C)CC1,BLJGAEVDKFYZMM-UHFFFAOYSA-N
-rxn:5:193809:225982:227301,CC1CCN(Cc2ccc(-c3cnc(N4CCOCC4)cc3F)cc2-c2ccc(F)cc2CN(C)C)CC1,HHMXTIHEHGCISF-UHFFFAOYSA-N
-rxn:5:193809:227292:225976,CC1CCN(Cc2ccc(-c3ccc(F)c(CN(C)C)c3)cc2-c2ccnc(N3CCOCC3)c2F)CC1,VMQFBEOMLXOUMG-UHFFFAOYSA-N
-rxn:5:193809:227303:225982,CC1CCN(Cc2ccc(-c3cccc(CN(C)C)c3F)cc2-c2cnc(N3CCOCC3)cc2F)CC1,NKHXCMRZJFXBPF-UHFFFAOYSA-N
-rxn:5:193867:226038:228566,COc1cc(C(F)(F)F)c(F)cc1-c1cc(-c2ccsc2CC(C)C)cc(C2(N3CCC(=O)CC3)CC2)c1,OERZAULKGMKGJE-UHFFFAOYSA-N
-rxn:5:193867:226325:227940,CCc1cc(SC)cc(-c2cc(-c3ccc(C(C)(C)C#N)cc3F)cc(C3(N4CCC(=O)CC4)CC3)c2)c1,LRLVHFLXEOUBIL-UHFFFAOYSA-N
-rxn:5:193868:227515:226588,CC(C)Oc1cnc(F)c(-c2ccc(-c3cc(OC4CCC4)ncc3F)c(C(=O)N3CC(C)OC(C)C3)c2)c1,HNDMMMRWYOLLDC-UHFFFAOYSA-N
-rxn:5:193868:227772:225594,CC1CN(C(=O)c2cc(-c3cncc(OC(F)(F)F)c3)ccc2-c2ccc(F)cc2CN2CCCC2)CC(C)O1,SBSFRDVBROPLCE-UHFFFAOYSA-N
-rxn:5:193868:228000:225799,COc1cc(C)c(C)cc1-c1ccc(-c2cncc(OC3CCOCC3)c2)c(C(=O)N2CC(C)OC(C)C2)c1,UXJPJCNPAYCJLW-UHFFFAOYSA-N
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-rxn:5:193870:228149:226142,COC(=O)c1ccccc1-c1cc(-c2cccc(OC3CCCC3)c2)c(S(=O)(=O)N2CCCCC2)cc1C,KINNARWZQSVNMO-UHFFFAOYSA-N
-rxn:5:193871:222987:225978,Cc1nc(C2CCNCC2)ccc1-c1cc(C(=O)N2CCC3(CC2)CC3)ccc1-c1ccc(N2CCOCC2)nc1F,CJEZLAYAPWKMKE-UHFFFAOYSA-N
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-rxn:5:196858:225683:222957,Cc1cc(-c2cc(C3CCOCC3)ncc2-c2ccc(C3CCCOC3)nc2C)cc(C2CCCNC2)c1,CPFMFRGCZFYIEJ-UHFFFAOYSA-N
-rxn:5:196872:222981:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(N2CCOCC2)c(-c2ccnc(NC3CCCCC3)c2)c1,ZDXHEVANYKPFSS-UHFFFAOYSA-N
-rxn:5:196873:223061:225849,Fc1cc(N2CCCCC2)ncc1-c1cc(N2CCOCC2)ccc1-c1cc(C2CCNCC2)ncc1F,ZBZZFXHWCPFFHS-UHFFFAOYSA-N
-rxn:5:196873:225982:225976,Fc1cc(N2CCOCC2)ncc1-c1ccc(N2CCOCC2)cc1-c1ccnc(N2CCOCC2)c1F,FPYLPELEORLLLD-UHFFFAOYSA-N
-rxn:5:196969:226898:222980,Cc1nn(S(=O)(=O)N(C)C)cc1-c1cnc(C2CCCCC2)cc1-c1ccc(CN2CCNCC2)cc1,WSQKMEVBWOXNNA-UHFFFAOYSA-N
-rxn:5:196978:225832:226183,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(N2CCCCC2)c(-c2cnccc2C2CCCCC2)c1,PJTVYDUWEOQVBK-UHFFFAOYSA-N
-rxn:5:197169:226441:225943,N#CC1=Cc2cc(-c3ccc(C(=O)N4CCOCC4)s3)cc(-c3ccc(N4CCCC4)cc3F)c2OC1,LHPVLGKZDLYRRL-UHFFFAOYSA-N
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-rxn:5:197876:223192:227978,CNS(=O)(=O)c1cc(-c2cc3c(cc2-c2cc(C(C)C)ccc2F)C(=O)N(C(C)(C)C)S3(=O)=O)ccc1F,IKNMPLXKFULCNY-UHFFFAOYSA-N
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-rxn:5:197876:226772:227906,CCC(C)c1ncccc1-c1cc2c(cc1-c1c(F)cc(C(=O)OC)cc1F)S(=O)(=O)N(C(C)(C)C)C2=O,ZRRJOSAXENHBJD-UHFFFAOYSA-N
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-rxn:5:197876:226920:226915,Cc1ccc(C(C)(C)C)cc1-c1cc2c(cc1-c1ccc(C3CCCC3)cc1)C(=O)N(C(C)(C)C)S2(=O)=O,PWYJZZTUISUXBQ-UHFFFAOYSA-N
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-rxn:5:197876:227048:225499,CC(C)C(=O)c1ccc(-c2cc3c(cc2-c2ccc(C4CCCCC4)cc2F)C(=O)N(C(C)(C)C)S3(=O)=O)cc1,ZZHWLIQIZZIVNZ-UHFFFAOYSA-N
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-rxn:5:197876:227052:227093,CC(C)(C)Sc1ccc(-c2cc3c(cc2-c2cccnc2C2CCCC2)C(=O)N(C(C)(C)C)S3(=O)=O)cc1,LSFDZWBAYZTYIK-UHFFFAOYSA-N
-rxn:5:197876:227068:226155,CC(=O)c1cc(-c2cc3c(cc2-c2ccc(CC(C)C)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc(C2CC2)c1,HJOKBRBBBGOPDH-UHFFFAOYSA-N
-rxn:5:197876:227077:225946,CCC(C)c1ccc(-c2cc3c(cc2-c2cc(C(C)=O)cc(C(F)(F)F)c2)C(=O)N(C(C)(C)C)S3(=O)=O)c(F)c1,GGFMGMXPTAFHBB-UHFFFAOYSA-N
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-rxn:5:197876:227087:226320,Cc1cnc(C(C)(C)C)c(-c2cc3c(cc2-c2cc(C4(C#N)CC4)ccc2F)C(=O)N(C(C)(C)C)S3(=O)=O)c1,LCVVHOIDBZVIOH-UHFFFAOYSA-N
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-rxn:5:197876:227102:226444,Cc1nc(C2CCCO2)ccc1-c1cc2c(cc1-c1cc(C(C)(C)C)ccc1F)S(=O)(=O)N(C(C)(C)C)C2=O,PRHVGPYJIGUFDS-UHFFFAOYSA-N
-rxn:5:197876:227102:226835,CC(C)n1nc(C(F)(F)F)cc1-c1cc2c(cc1-c1cc(C(C)(C)C)ccc1F)S(=O)(=O)N(C(C)(C)C)C2=O,LEKDFIDOVIIQCZ-UHFFFAOYSA-N
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-rxn:5:197876:227106:227670,Cc1cc(F)c(-c2cc3c(cc2-c2cc(F)cc(C(C)(F)F)c2)C(=O)N(C(C)(C)C)S3(=O)=O)cc1C1CC1,KHDZSVHKXRWSOZ-UHFFFAOYSA-N
-rxn:5:197876:227108:226061,CC(C)c1cc(-c2cc3c(cc2-c2cc(C4CCC4)ccc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc(C2CC2)c1,CVLMDLTXCPKMSM-UHFFFAOYSA-N
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-rxn:5:197876:227279:228445,CC(C)n1nc(C2CC2)cc1-c1cc2c(cc1-c1c(F)cccc1C(F)F)C(=O)N(C(C)(C)C)S2(=O)=O,GBWHJYFXSJTEEH-UHFFFAOYSA-N
-rxn:5:197876:227309:226761,CCC(C)c1cc(-c2cc3c(cc2-c2ccc(SC)cc2C(F)(F)F)C(=O)N(C(C)(C)C)S3(=O)=O)cc(F)n1,JPZCUVLZBRXJRR-UHFFFAOYSA-N
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-rxn:5:197876:227419:226920,Cc1ccc(C(C)(C)C)cc1-c1cc2c(cc1-c1ccc(C3CCC3)nc1F)S(=O)(=O)N(C(C)(C)C)C2=O,KKUWXELYUOFEII-UHFFFAOYSA-N
-rxn:5:197876:227520:226912,Cc1cc(CC(C)C)cc(-c2cc3c(cc2-c2cnc(OC(C)C)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,OLFPULOCVHTMEX-UHFFFAOYSA-N
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-rxn:5:197876:227542:227311,CCC(C)c1cc(F)c(-c2cc3c(cc2-c2ccc(F)cc2C(=O)OC)S(=O)(=O)N(C(C)(C)C)C3=O)cn1,IZOLHVCITXAUQM-UHFFFAOYSA-N
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-rxn:5:197876:228754:225815,CSc1ncc(-c2cc3c(cc2-c2ccc(C4CC4)cc2C(F)(F)F)C(=O)N(C(C)(C)C)S3(=O)=O)cc1C,JQZAVTAXXSRXTM-UHFFFAOYSA-N
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-rxn:5:197876:228760:226762,CSc1cc(-c2cc3c(cc2-c2cnc(C(C)(C)C)o2)S(=O)(=O)N(C(C)(C)C)C3=O)cc(C(F)(F)F)c1,MNVCHMFOWFMGBE-UHFFFAOYSA-N
-rxn:5:197876:228811:225407,CSc1ccc(F)c(-c2cc3c(cc2-c2ccc(C4CCCCCC4)cc2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,XKMLMJRQAUFUFT-UHFFFAOYSA-N
-rxn:5:197876:228930:225811,CSc1c(-c2cc3c(cc2-c2ccc(C4(C(F)(F)F)CC4)cc2)C(=O)N(C(C)(C)C)S3(=O)=O)ccnc1F,PYRXPHMJFSYCCH-UHFFFAOYSA-N
-rxn:5:197876:228969:226188,Cc1cc([Si](C)(C)C)c(C)cc1-c1cc2c(cc1-c1cscc1C(F)(F)F)S(=O)(=O)N(C(C)(C)C)C2=O,RSWDXILTEWTNIM-UHFFFAOYSA-N
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-rxn:5:197876:229012:225603,CC(C)c1ccsc1-c1cc2c(cc1-c1cccc(C3(C#N)CCC3)c1F)C(=O)N(C(C)(C)C)S2(=O)=O,CRMDJQCIKXQUJY-UHFFFAOYSA-N
-rxn:5:197876:229015:225940,CC(C)c1sccc1-c1cc2c(cc1-c1cc(C(F)(F)F)cnc1C1CC1)C(=O)N(C(C)(C)C)S2(=O)=O,QFXCNHBPLZNNGL-UHFFFAOYSA-N
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-rxn:5:198558:225637:225832,Cc1nn(C2CCCCO2)c(C)c1C1=NS(=O)(=O)c2cc(-c3ccccc3N3CCN(C)CC3)ccc21,VLDNZTCQIZPJLU-UHFFFAOYSA-N
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-rxn:5:199279:225448:225584,Cc1ccc(OC2CCCC2)c(-c2cc(-c3ccc(C(=O)N4CCCC4)cc3)cc3c2CCN(C)C3=O)c1,KZOBFRDNNWOLAE-UHFFFAOYSA-N
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-rxn:4:173392:223842,CCCCOc1ccc(C(=O)OC)cc1-c1cc(F)c(F)cc1S(=O)(=O)N1CCC(C)CC1,MIKCPYHXVBKERR-UHFFFAOYSA-N
-rxn:4:173395:222521,CCOCc1cc(C(=O)OCC)ccc1-c1cc(NC(=O)OC(C)(C)C)cc(C(F)(F)F)c1,QYCBHDDALXZPJJ-UHFFFAOYSA-N
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-rxn:4:173550:224842,CC(C)(C)OC(=O)c1cc(-c2ccc3c(c2)C(C)(C)CCC3(C)C)cc(-c2ccccc2OC(F)(F)F)c1,OSUPLLJWFRJTEZ-UHFFFAOYSA-N
-rxn:4:173554:222825,CC(C)(C)NS(=O)(=O)c1ccc(Cl)cc1-c1cc(C(=O)OC(C)(C)C)ccc1C(=O)OC(C)(C)C,FUMVPQXSOLNCHJ-UHFFFAOYSA-N
-rxn:4:173565:224277,COC(=O)c1ccc(-c2ccnc3c2ccn3C(=O)OC(C)(C)C)c(COC(C)(C)[Si](C)(C)C)c1,SFPRSFVQYPHIOO-UHFFFAOYSA-N
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-rxn:4:173789:222589,COC(=O)c1ccc(OCC(F)(F)F)c(-c2ccc(OCCN3CCC(O)CC3)c(Cl)c2)c1,LDPWDRGHHJGXTA-UHFFFAOYSA-N
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-rxn:4:173802:225010,O=S(=O)(OC(c1ccc(-c2ccc(F)c(CN3CCCCC3)c2)cc1)C(F)(F)F)C(F)(F)F,HKROBWZOJBBAAW-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:4:173802:225423,CN(C)CCCCc1ccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)cc1,JUTREMWAYFVXAZ-UHFFFAOYSA-N
-rxn:4:173802:225454,CN1CC=C(c2ccc(-c3ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc3)cc2)CC1,JDRWNGDVENKKDW-UHFFFAOYSA-N
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-rxn:4:178384:225852,Clc1nc(C2CCCCC2)ncc1-c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1,SBOGXAVIPWPSQO-UHFFFAOYSA-N
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-rxn:4:180397:223792,COC(=O)C1CCN(C(=O)c2ccc(-c3ccc(C4CC4)cc3C3CCOC3)cc2)CC1,UNYQUPCXUIHDGN-UHFFFAOYSA-N
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-rxn:4:180674:223559,COC(=O)C1Cc2ccc(-c3ccc4c(c3)C(C)=CC(C)(C)N4C(=O)OC(C)(C)C)cc2C1,OFQPXJHGGDUQNM-UHFFFAOYSA-N
-rxn:4:182359:223787,COC1CCC2(CC1)Oc1ccc(-c3ccc(OCCCN4CCN(C)CC4)c(F)c3)cc1C2=O,BXROOXXDTRMCLM-UHFFFAOYSA-N
-rxn:4:182371:223898,CC(C)c1cc(-c2ccc(N(C(=O)OC(C)(C)C)C(C)C)cc2)cc2c1OC(C)(C)CC2,YKUWMQCNZKPATP-UHFFFAOYSA-N
-rxn:4:182376:222774,CO[C@H]1[C@H](C)C[C@@]2(Cc3ccc(-c4ccc(F)c(CN5CCC(O)CC5)c4)cc3C2=O)C[C@@H]1C,JVMYBHJZTKEFJR-UBHXRJOGSA-N
-rxn:4:182376:224487,CO[C@H]1[C@H](C)C[C@@]2(Cc3ccc(-c4cccc(OCCN5CCCCC5)c4)cc3C2=O)C[C@@H]1C,UGVAQOADODNAQZ-FWROBWRPSA-N
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-rxn:4:183272:226652,Cc1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCO3)n(C2CCCCO2)n1,XUMOBDGMTWPCQV-UHFFFAOYSA-N
-rxn:4:183273:226617,Cc1nn(-c2ccccn2)cc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,QBPBDRRFXYAFCU-UHFFFAOYSA-N
-rxn:4:183273:228061,Cc1noc2cccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)c12,WHJZISWBPNPNQJ-UHFFFAOYSA-N
-rxn:4:183273:229030,Cc1ccc(F)cc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,OILUGDOYBNPQGF-UHFFFAOYSA-N
-rxn:4:183274:223211,COc1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCOCCO3)c2cc[nH]c12,TZHJLTJKTIECSD-UHFFFAOYSA-N
-rxn:4:183274:228266,CSc1c(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCOCCO3)ccc(C)c1Cl,HCWLOLOGWMLQAO-UHFFFAOYSA-N
-rxn:4:183584:224485,COC(=O)C(C(=O)OC)c1ccc([N+](=O)[O-])cc1-c1ccn([Si](C(C)C)(C(C)C)C(C)C)c1,KLXWCRCONJZGRL-UHFFFAOYSA-N
-rxn:4:183628:222814,COC(=O)C(Oc1c(C#N)cccc1-c1ccnc(NC(=O)OC(C)(C)C)c1F)C(C)C,DDTOMDBEVMJOPI-UHFFFAOYSA-N
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-rxn:4:183668:224863,CC(C)N(Cc1ccccc1-c1ccc(C(=O)C(C#N)C(=O)OC(C)(C)C)cc1)C(C)C,SXNSHIZSOXCVGF-UHFFFAOYSA-N
-rxn:4:183704:222714,CC(C)(C)OC(=O)Nc1cc(F)c(F)c(-c2ccc(OC[C@@H]3CCCN3C(=O)OC(F)(F)F)c(F)c2)c1,YURSFXWAHZCFOG-HNNXBMFYSA-N
-rxn:4:183730:222426,CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)Nc1ccc(-c3ccc(OC(F)(F)F)cc3OCC(=O)N3CCOCC3)cc12,UISSIXPUOCWNKJ-UHFFFAOYSA-N
-rxn:4:183730:222983,O=C(COc1cc(OC(F)(F)F)ccc1-c1cccc(CN2CCC(O)C2)c1)N1CCOCC1,BXAAKGSJWHDVMU-UHFFFAOYSA-N
-rxn:4:183763:225426,CCN(CC)C(C)c1ccc(-c2cc(F)ccc2N(OC(=O)OC(C)(C)C)C2CC2)cc1,BGYHEQBPSNSKPT-UHFFFAOYSA-N
-rxn:4:183772:224144,Cc1ccc(OCc2ccccc2F)c(-c2ccc(OC(F)(F)F)cc2OCC(=O)N2CCCC(F)(F)C2)c1,WOBWUTILHBNBBH-UHFFFAOYSA-N
-rxn:4:183787:224609,CCN(Cc1cc(-c2cnccc2C(=O)N(C(C)C)C(C)C)ccc1Cl)C(=O)OC(C)(C)C,SORQEZJOYUWKJG-UHFFFAOYSA-N
-rxn:4:183796:225933,COC(=O)c1ccc(-c2cc(C3CC3)nc(C(F)(F)F)c2)cc1N(C)C(=O)OC(C)(C)C,PYLDPLHOMWVXID-UHFFFAOYSA-N
-rxn:4:183803:222494,O=C(Nc1ccc(-c2ccc(OC(F)(F)F)cc2OCCN2CCCCC2)c(F)c1)OCc1ccccc1,NNAXDCDNZDYMPR-UHFFFAOYSA-N
-rxn:4:183804:224322,CC1CCN(S(=O)(=O)c2ccc(-c3cc(OC(F)(F)F)ccc3OCCN3CCCCC3)cc2)CC1,WLMAPNDUQNFKSB-UHFFFAOYSA-N
-rxn:4:183804:226526,COC(=O)c1ccc(OC)c(-c2cc(OC(F)(F)F)ccc2OCCN2CCCCC2)c1,WYGGAMZZNRMIMW-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:4:183831:222639,C[C@H](NC(=O)OC(C)(C)C)c1ccc(-c2cc(F)ccc2CN(C(=O)OC(C)(C)C)C2CC2)cc1,HOEWVFQDAANNLJ-SFHVURJKSA-N
-rxn:4:183834:222648,Cc1cc(C)c(-c2ccccc2S(=O)(=O)N(C(=O)OC(C)(C)C)C2CC2)cc1NC(=O)OC(C)(C)C,WSSOWDHTMRKBJE-UHFFFAOYSA-N
-rxn:4:183837:224258,COC(=O)C1CCN(C(=O)COc2ccc(-c3ccc(C(=O)N4CCCCC4C)cc3Cl)cc2)CC1,IWRHTJWIBWHLLD-UHFFFAOYSA-N
-rxn:4:183880:223787,CN1CCN(CCCOc2ccc(-c3ccc(OCC4CN(C(=O)OC(C)(C)C)C4)c(F)c3)cc2F)CC1,CARLOVQOYBVCGA-UHFFFAOYSA-N
-rxn:4:183880:224886,CC1CCN(Cc2ccc(-c3ccc(OCC4CN(C(=O)OC(C)(C)C)C4)c(F)c3)cc2)CC1,YBYULYSNCBVXLE-UHFFFAOYSA-N
-rxn:4:183892:222413,COC(=O)c1cc(OCCN2CCC(F)(F)CC2)cc(-c2ccc(S(N)(=O)=O)cc2C)c1,DGQOHNUMURQEIS-UHFFFAOYSA-N
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-rxn:4:183915:225728,CCCCOc1ccc(-c2cc(OC(F)(F)F)ccc2OCCN2CCC(C)CC2)c(F)c1F,FBBBSSZTZVQAMI-UHFFFAOYSA-N
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-rxn:4:183928:224168,CCN(C(=O)OC(C)(C)C)c1cccc(-c2ccc(C(C)N(C(=O)OC(C)(C)C)C3CC3)cc2)c1,XURVWCDTKOFKDK-UHFFFAOYSA-N
-rxn:4:183928:224842,CC(c1ccc(-c2ccc3c(c2)C(C)(C)CCC3(C)C)cc1)N(C(=O)OC(C)(C)C)C1CC1,FQUMKRLPKPRTRR-UHFFFAOYSA-N
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-rxn:4:183934:224251,COC(=O)C1CCN(CCCc2ccccc2-c2ccc(C(=O)N3CCCC(C)C3)cc2F)CC1,QSQTXJWSCZGBLW-UHFFFAOYSA-N
-rxn:4:183964:225801,COC(=O)c1cc(OCCN2CCC(C)CC2)cc(-c2ccnc(OC3CCCC3)c2Cl)c1,OVKMDPYNGPMDGX-UHFFFAOYSA-N
-rxn:4:183966:223106,CC(C)(C)OC(=O)N1CCC(COc2cc(Cl)cc(-c3cnc(N4CCC(O)C4)nc3Cl)c2)C1,HMAIMVREPLXXQX-UHFFFAOYSA-N
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-rxn:4:183983:224075,Cc1ccc(-c2ccc3ccn([Si](C)(C)C(C)(C)C)c3c2)cc1CN(C(=O)OC(C)(C)C)C(C)C,PAFXGPFEGKYLON-UHFFFAOYSA-N
-rxn:4:183984:222638,Cc1cc(-c2cccc(C(C)NC(=O)OC(C)(C)C)c2)ccc1CN(C(=O)OC(C)(C)C)C(C)C,WWXKJURLTARFMT-UHFFFAOYSA-N
-rxn:4:183994:226356,COc1cc(-c2ccc(CN(C(=O)OC(C)(C)C)C3CCCC3)cc2)c(Cl)cc1C1CC1,HBSOVYTVVZLVMC-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:4:184122:222702,O=C1c2ccccc2C(=O)N1CCCCOc1cc(-c2cc(C3CCCNC3)ccc2C(F)(F)F)ccc1F,LFPYAMVHFIYXLQ-UHFFFAOYSA-N
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-rxn:4:184695:225591,O=C(ON1C(=O)CCC1=O)c1cc(OC(F)(F)F)cc(-c2cc(CN3CCCC3)ccc2F)c1,LKAJSDBUTHGLDC-UHFFFAOYSA-N
-rxn:4:184715:223529,CCOc1cc(C#N)c(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)c(F)c2)cc1OC(C)C,LPSMPIUVUQLVNR-UHFFFAOYSA-N
-rxn:4:184873:223635,CCN(C)C(=O)c1cc(OC)c(OC)cc1-c1ccc(C2CCN(C(=O)OC(C)(C)C)CC2)cc1,IGZOCLURSMEIHR-UHFFFAOYSA-N
-rxn:4:184888:222776,COC(=O)C1CN(Cc2ccc(-c3ccc(CN4CCC(O)CC4)cc3F)c(C(F)(F)F)c2)C1,ORJKAYCMKITYGO-UHFFFAOYSA-N
-rxn:4:184891:223692,O=C(COc1ccc(C(F)(F)F)cc1-c1cc(OCc2cccnc2)c(Cl)cc1C(F)(F)F)N1CCCC1,YJRLUMVGNGZTKR-UHFFFAOYSA-N
-rxn:4:184891:223761,CC(C)(C)OC(=O)N1CCCC1c1ccc(-c2cc(C(F)(F)F)ccc2OCC(=O)N2CCCC2)cc1,FYTCOPNAQMNMIR-UHFFFAOYSA-N
-rxn:4:184891:225182,O=C(COc1ccc(C(F)(F)F)cc1-c1ccnc(OC2CCCCC2)c1Cl)N1CCCC1,ACGXPBYWGHYFTL-UHFFFAOYSA-N
-rxn:4:184891:225286,CC(C)(C)OC(=O)c1cnc(F)cc1-c1cc(C(F)(F)F)ccc1OCC(=O)N1CCCC1,IGDWCJPDKMLUAK-UHFFFAOYSA-N
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-rxn:4:184930:225640,CC1CCCCN1c1cc(-c2cc(C(F)(F)F)ccc2OCC(=O)N2CCOCC2)ccn1,QZTSGPZRFPKGEA-UHFFFAOYSA-N
-rxn:4:184930:225656,CC1CCCCN1c1cncc(-c2cc(C(F)(F)F)ccc2OCC(=O)N2CCOCC2)c1,WGUTYFUGNKHLIY-UHFFFAOYSA-N
-rxn:4:184930:225764,CCCOc1c(F)c(C)cc(-c2cc(C(F)(F)F)ccc2OCC(=O)N2CCOCC2)c1F,MTFAEYPHICKMJP-UHFFFAOYSA-N
-rxn:4:184944:224132,CCN(C(=O)OC(C)(C)C)c1ccc(-c2ccccc2C(=O)N(C)C2CCCCC2)c(Cl)c1,ABCAQRKPVRDZED-UHFFFAOYSA-N
-rxn:4:184950:222636,CCN(C(=O)OC(C)(C)C)c1ccc(-c2ccc([C@@H](C)NC(=O)OC(C)(C)C)cc2)c(F)c1,VXPOZGJZQAFVBB-QGZVFWFLSA-N
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-rxn:4:184964:224274,CN(C(=O)OC(C)(C)C)c1cc(-c2cc3cnccc3n2C(=O)OC(C)(C)C)cc(C(F)(F)F)c1,ZPFLNANAZGWPOH-UHFFFAOYSA-N
-rxn:4:185004:226176,O=C(COc1ccc(C(F)(F)F)cc1-c1ccncc1C1CCCCC1)N1CCCCC1,JKNFESZRGLNPMF-UHFFFAOYSA-N
-rxn:4:185019:224719,CC(C)c1nn(C(=O)OC(C)(C)C)cc1-c1ccc(CC(=O)N(C(C)C)C(C)C)cc1,KIXGRHIZWYUQST-UHFFFAOYSA-N
-rxn:4:185022:224588,CC1CCN(Cc2cc(F)cc(-c3cccc(F)c3OCCCN3CCCCC3)c2)CC1,LIYQHKGOOJTFFQ-UHFFFAOYSA-N
-rxn:4:185024:224587,COc1ccc(OCC(=O)N2CCCCC2)c(-c2ccc(CN3CCC(C)CC3)c(F)c2)c1,FSHQEMJHEIUWFH-UHFFFAOYSA-N
-rxn:4:185057:222924,Cc1ccc(-c2cc(C(F)(F)F)ccc2C(=O)N(C(C)C)C(C)C)cc1S(=O)(=O)NC(C)C,JJXQGWOAUXQOQU-UHFFFAOYSA-N
-rxn:4:185079:222639,CC(C)N(C(=O)OC(C)(C)C)c1ccc(-c2ccc([C@H](C)NC(=O)OC(C)(C)C)cc2)cc1,QHYDJZWZIQGHHC-IBGZPJMESA-N
-rxn:4:185079:223769,CC(C)N(C(=O)OC(C)(C)C)c1ccc(-c2cc3cccc(C#N)c3n2C(=O)OC(C)(C)C)cc1,FLRDAQCWPGQXQK-UHFFFAOYSA-N
-rxn:4:185086:223658,Cc1cc(-c2ccc(S(=O)(=O)N3CCOCC3)c3ccccc23)ccc1OCCCN1CCOCC1,AHTAZIHCRVVLRU-UHFFFAOYSA-N
-rxn:4:185094:222635,COc1ccc(C(=O)N(C(C)C)C(C)C)c(-c2cccc([C@H](C)NC(=O)OC(C)(C)C)c2)c1,RNBGAMAMAYJYCU-IBGZPJMESA-N
-rxn:4:185107:224276,CC(C)S(=O)(=O)c1ncc(-c2cn(C(=O)OC(C)(C)C)c3cccnc23)cc1C(=O)OC(C)(C)C,JOBJWWYEOAVGJD-UHFFFAOYSA-N
-rxn:4:185111:222634,COC(=O)C1CCN(C(=O)Cc2ccc(F)cc2-c2ccc(OCCNC3CCCC3)c(F)c2)CC1,AANXPCWUERCJHP-UHFFFAOYSA-N
-rxn:4:185111:224829,COC(=O)c1ccc(-c2cc(F)ccc2CC(=O)N2CCC(C(=O)OC)CC2)cc1OC(F)(F)F,SPCJTBIULZDUIR-UHFFFAOYSA-N
-rxn:4:185111:225753,COC(=O)c1cnc(C2CC2)c(-c2cc(F)ccc2CC(=O)N2CCC(C(=O)OC)CC2)c1,XYIHMDVFYBJAPG-UHFFFAOYSA-N
-rxn:4:185112:222813,CC(C)(C)OC(=O)Nc1ncc(-c2cc(-c3ccc(C(F)(F)F)cc3)n(C(=O)OC(C)(C)C)c2)cc1Cl,RKNKTLWQNJZAOA-UHFFFAOYSA-N
-rxn:4:185117:227017,CC=CCOc1ccccc1-c1cccc(S(=O)(=O)CC(=O)N2CCCC(C(F)(F)F)C2)c1,VATQHWXEDWBDDD-UHFFFAOYSA-N
-rxn:4:185126:223689,CCN1CCN(S(=O)(=O)c2cc(-c3cccc([N+](=O)[O-])c3CO[Si](C)(C)C(C)(C)C)ccc2OC)CC1,QEUQNUYFZDONST-UHFFFAOYSA-N
-rxn:4:185130:223660,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cccc(CC4CN(C(=O)OC(C)(C)C)C4)c3)s2)CC1,YJTGNRSIPYAKPK-UHFFFAOYSA-N
-rxn:4:185134:224593,COC(=O)C1CCN(CCc2ccc(-c3ccc(F)c(CN4CCC(C)CC4)c3)cc2)CC1,BIORPCVQCXFQCF-UHFFFAOYSA-N
-rxn:4:185135:225271,COC(=O)c1cc(OC)c(OC)cc1-c1ccc(Cl)c(CCN2CCC(C(=O)OC)CC2)c1,GSSRZTJMNMWCRI-UHFFFAOYSA-N
-rxn:4:185139:224076,COC(=O)C1CCN(CCc2ccc(F)c(-c3ccc4c(ccn4[Si](C)(C)C(C)(C)C)c3)c2)CC1,BOHZZMKNPLHGFU-UHFFFAOYSA-N
-rxn:4:185143:223105,CNS(=O)(=O)c1cc(-c2ccc(N(C(=O)CC(C)C)C3C=CS(=O)(=O)C3)cc2)c(F)cc1C,HXGJAPPKCOQFTP-UHFFFAOYSA-N
-rxn:4:185144:223141,CCOC(=O)C1CCN(S(=O)(=O)c2ccc(-c3cncc(C4CCNCC4)c3)cc2)CC1,REJDQKDBGOOEKU-UHFFFAOYSA-N
-rxn:4:185145:223062,CCOC(=O)C1CCCN(S(=O)(=O)c2ccc(-c3cnc(C4CCNCC4)cc3F)cc2)C1,LZZWAARLMXKAQB-UHFFFAOYSA-N
-rxn:4:185147:222877,CC(C)CS(=O)(=O)C1CN(S(=O)(=O)c2ccccc2-c2ccc(C(=O)NC(C)(C)C)c(Cl)c2)C1,UYBYAHLFQVIMPU-UHFFFAOYSA-N
-rxn:4:185156:223152,COC(=O)c1cc(-c2ccc(NC(=O)N(C)C)cc2)ccc1CN1CCC(C(F)(F)F)CC1,BTFXIOPOFQPPSI-UHFFFAOYSA-N
-rxn:4:185162:223669,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc(C(F)(F)F)cc3C3CN(C(=O)OC(C)(C)C)C3)cn2)CC1,XZHHMYWQNVWOBM-UHFFFAOYSA-N
-rxn:4:185162:223888,CC(C)(C)OC(=O)N1CC(c2cc(C(F)(F)F)ccc2-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CCC3)C1,QOGARQFIIFEEDZ-UHFFFAOYSA-N
-rxn:4:185165:226716,CC(C)(C)OC(=O)N1CC(c2cc(-c3ccn(C(=O)OC(C)(C)C)n3)ccc2C(F)(F)F)C1,RJCABMCZGXBYEQ-UHFFFAOYSA-N
-rxn:4:185201:225758,COc1cc(C2CN(C(=O)OC(C)(C)C)C2)ccc1-c1ccncc1C(=O)OC(C)(C)C,GHMRMWDXUWJORJ-UHFFFAOYSA-N
-rxn:4:185243:226119,Cc1ccc(OCC2CC2)c(-c2ccc(C(=O)N(CC(C)C)C3CCS(=O)(=O)C3)cc2)c1,UWDZPZDLJCZZBG-UHFFFAOYSA-N
-rxn:4:185244:224721,Cc1nn(CC(=O)OC(C)(C)C)c(C)c1-c1cccc(C(=O)N(CC(C)C)C2CCS(=O)(=O)C2)c1,YUHJTQRAWPLLDQ-UHFFFAOYSA-N
-rxn:4:185266:223891,CC(C)CN(C1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(-c2c(F)ccc3c2ccn3[Si](C)(C)C(C)(C)C)cc1,PVDMKYWDORBNMY-UHFFFAOYSA-N
-rxn:4:185266:225992,CC(C)CN(C1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(-c2cn(CC(C)C)nc2C(F)(F)F)cc1,JYAHROCEVCCQMX-UHFFFAOYSA-N
-rxn:4:185268:223529,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cccc(S(=O)(=O)C4CCN(C(=O)OC(C)(C)C)C4)c3)cc2F)CC1,SJGAIBYPVQUTQH-UHFFFAOYSA-N
-rxn:4:185270:223490,Cc1ccc(-c2ccc(C3CCN(C(=O)OC(C)(C)C)C3)c(C(F)(F)F)c2)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,BLBCOOZHSXALNF-UHFFFAOYSA-N
-rxn:4:185293:225343,CC(C)Sc1ncc(C(F)(F)F)cc1-c1ccccc1C(=O)N(Cc1ccccc1F)C1CCS(=O)(=O)C1,VHZUSYIONZWDRU-UHFFFAOYSA-N
-rxn:4:185302:224076,CCN(C1CCCCC1)S(=O)(=O)c1cc(-c2ccc3c(ccn3[Si](C)(C)C(C)(C)C)c2)ccc1OC,BSDUCUVGORPDRJ-UHFFFAOYSA-N
-rxn:4:185307:225827,CCCOc1cc(S(=O)(=O)N2CCCC(C)C2)ccc1-c1ccnc(N2CCN(C)CC2)c1,GLYJKKTZIUGGQA-UHFFFAOYSA-N
-rxn:4:185308:222948,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3cnc(N4CCC(O)CC4)nc3Cl)cc2)CC1,FREBXZKGPWPCFG-UHFFFAOYSA-N
-rxn:4:185315:224273,CC(C)(C)OC(=O)N1CC(c2cc(-c3cc4ncccc4n3C(=O)OC(C)(C)C)ccc2C2CC2)C1,AQQHJHOIGDSYQB-UHFFFAOYSA-N
-rxn:4:185315:225287,CC(C)(C)OC(=O)c1cnc(Cl)cc1-c1ccc(C2CC2)c(C2CN(C(=O)OC(C)(C)C)C2)c1,YZYDIIGDGWFTNS-UHFFFAOYSA-N
-rxn:4:185317:222792,CC(C)(C)OC(=O)Nc1ccc(F)c(-c2cc(C3CN(C(=O)OC(C)(C)C)C3)ccc2C2CC2)c1,VLMFJUHYDXZFAX-UHFFFAOYSA-N
-rxn:4:185317:225521,CCCCOc1cc(-c2cc(C3CN(C(=O)OC(C)(C)C)C3)ccc2C2CC2)ccc1OC,KNWUIYGFDRENQQ-UHFFFAOYSA-N
-rxn:4:185317:225561,CC(C)(C)OC(=O)c1ccccc1-c1cc(C2CN(C(=O)OC(C)(C)C)C2)ccc1C1CC1,ICROBXILQKPQAX-UHFFFAOYSA-N
-rxn:4:185321:224279,CC(C)(C)OC(=O)N1CCC(Oc2ccc(Cl)c(-c3ccc4c(c3)ncn4C(=O)OC(C)(C)C)c2)CC1,HOKFHKZDRMFTRC-UHFFFAOYSA-N
-rxn:4:185321:225105,CCN(CC)C(=O)c1ccc(-c2cc(OC3CCN(C(=O)OC(C)(C)C)CC3)ccc2Cl)cc1F,JROKANDLHQMJBH-UHFFFAOYSA-N
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-rxn:4:185367:223745,CC1CCN(C(=O)COc2ccc(C(C)C)cc2-c2ccc(C(=O)N(C)CCc3ccccc3)cc2)CC1,GOGSMNWVYHYJPG-UHFFFAOYSA-N
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-rxn:4:185440:227969,Cc1nccc(-c2ccc(S(=O)(=O)N3CCC(O[Si](C)(C)C(C)(C)C)CC3)cc2F)c1C1CC1,AIEYTOWUHFQNRW-UHFFFAOYSA-N
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-rxn:4:185474:223595,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cccc(OCCCN4C(=O)c5ccccc5C4=O)c3)cc2F)CC1,UIZTYYWPGIMLIE-UHFFFAOYSA-N
-rxn:4:185480:224290,O=C1c2ccccc2C(=O)N1CCCOc1ccc(F)cc1-c1ccc(Cl)cc1OCCN1CCOCC1,ZNZMWVIZQCHMCY-UHFFFAOYSA-N
-rxn:4:185509:224617,COC(=O)c1cc2c(cc1-c1ccc(OCCN3CCCC3)c(Cl)c1)CCN2C(=O)OC(C)(C)C,ZVYORQKYEKKBPO-UHFFFAOYSA-N
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-rxn:4:185545:223521,CC(c1cccc(-c2ccc3cc(OC4CN(C(=O)OC(C)(C)C)C4)ccc3c2)c1)N1CCN(C(=O)OC(C)(C)C)CC1,BLCWHAFVANRQEW-UHFFFAOYSA-N
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-rxn:4:186203:223687,CCOC(=O)c1ccc(C#N)c(C)c1-c1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1,OKYQHBCRNAFUQI-UHFFFAOYSA-N
-rxn:4:186233:223590,Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1-c1cc(F)cc([N+](=O)[O-])c1OCC1CC1,RQVUWXXOHVYANO-UHFFFAOYSA-N
-rxn:4:186368:224126,CCN1CCN(C(C)c2cccc(-c3cc(OC)c(C(=O)OC)cc3S(N)(=O)=O)c2)CC1,SZIKTZFCUIWGLE-UHFFFAOYSA-N
-rxn:4:186526:223522,COc1ccc(-c2cc(F)cc(N3CCC(O[Si](C)(C)C(C)(C)C)CC3)c2)cc1Sc1ccc(C#N)c(Cl)c1,PCEKGPAQIIOKMU-UHFFFAOYSA-N
-rxn:4:186598:223785,CCN1CCN(CCOc2ccc(-c3ccc(N(C)CC)c(C(=O)OC)c3)cc2Cl)CC1,RKZGNKQAJXTZQS-UHFFFAOYSA-N
-rxn:4:186643:223567,COC(=O)C1(c2cc(-c3cc4cc(OC(C)C)ccc4n3C(=O)OC(C)(C)C)ccc2C#N)CCC1,BQLDMVPHFLDDIW-UHFFFAOYSA-N
-rxn:4:186708:222696,O=C(COc1cc(-c2ccc(F)c(C(=O)N3CCC(O)CC3)c2)ccc1Cl)N1CCCC1,JCPLCWBDCQOEQG-UHFFFAOYSA-N
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-rxn:4:186764:222447,COc1ccc2c(c1-c1ccccc1SCCN1CCCC1)N=C(NC(=O)OC(C)(C)C)C2,XYGMJRWAMLMYKE-UHFFFAOYSA-N
-rxn:4:186775:224018,CCN(CC)C(=O)c1cc(F)c(-c2cc(F)c(F)cc2S(=O)(=O)N2CCOCC2)cc1C,ZYQYYZSMOLKEPA-UHFFFAOYSA-N
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-rxn:4:186910:224125,CC(C)(C)S(=O)/N=C/c1cc(C(F)(F)F)ccc1-c1ccc(CN2CCN(C3CC3)CC2)cc1,ZDJDLMLMIDOTJU-OCSSWDANSA-N
-rxn:4:186942:223534,COC(=O)c1ccc(CN2CCCC2)c(-c2cc(OC3CCN(C(=O)OC(C)(C)C)CC3)ncc2F)c1,BGVOGQZJLLJMSA-UHFFFAOYSA-N
-rxn:4:187000:224818,COC(=O)C1CCN(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCSCC4)cc3)cc2)C1,QVFSMACNQDJVIQ-UHFFFAOYSA-N
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-rxn:4:187068:223999,COC(=O)c1cc(-c2cc(S(=O)(=O)N3CCC(C)CC3)ccc2F)ccc1CN1CCOCC1,QNWYUDLORYVRPB-UHFFFAOYSA-N
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-rxn:4:187068:224247,COC(=O)c1cc(-c2ccc(C(=O)N3CCC(C)CC3)cc2F)ccc1CN1CCOCC1,MUBVKROOPYYCFP-UHFFFAOYSA-N
-rxn:4:187074:222604,COC(=O)c1ccc(-c2ccc(OC)c(S(=O)(=O)NC3CCCC3)c2)cc1CN1CCOCC1,QOFFRSXCWIESMX-UHFFFAOYSA-N
-rxn:4:187074:222828,COC(=O)c1ccc(-c2cc(F)c(F)cc2S(=O)(=O)NC2CC2)cc1CN1CCOCC1,KGQIWELQGBIMTN-UHFFFAOYSA-N
-rxn:4:187091:224777,O=C(c1ccc(-c2cnc(C3CCCC3)c(C(F)(F)F)c2)cc1)C1CCN(C(=O)C(F)(F)F)CC1,PBPUXXLEEFKDPC-UHFFFAOYSA-N
-rxn:4:187091:226176,O=C(c1ccc(-c2ccncc2C2CCCCC2)cc1)C1CCN(C(=O)C(F)(F)F)CC1,YRQIRSQWJUNXRD-UHFFFAOYSA-N
-rxn:4:187146:225273,CCCOc1cc(C(F)(F)F)ccc1-c1ccc(F)cc1CC(=O)N1CCCC(C(F)(F)F)C1,RSHHNFUXABVHHF-UHFFFAOYSA-N
-rxn:4:187156:222883,CC(C)(C)NC(=O)c1ccc(-c2ccccc2S(=O)(=O)CC(=O)N2CCC(F)(F)CC2)c(Cl)c1,ARBDLPCINRNGHA-UHFFFAOYSA-N
-rxn:4:187164:223583,COC(=O)c1ccc2c(-c3cncc(CO[Si](C)(C)C(C)(C)C)c3)cn(C(=O)OC(C)(C)C)c2c1,KZYZPRMMGOUFGV-UHFFFAOYSA-N
-rxn:4:187167:223946,CCN(C(=O)OC(C)(C)C)c1ccc(-c2ncccc2CO[Si](C)(C)C(C)(C)C)c(Cl)c1,CQUTVDKOUICJCB-UHFFFAOYSA-N
-rxn:4:187211:223896,COc1cccc(-c2ccc(C3(F)CN(C(=O)OC(C)(C)C)C3)cc2)c1C(=O)N(C(C)C)C(C)C,FZRUTIBSXWSGEB-UHFFFAOYSA-N
-rxn:4:187212:223818,CC(C)(C)OC(=O)N1CC(c2ccc(-c3c(F)cc(F)c4c3ccn4C(=O)OC(C)(C)C)c(F)c2)C1,PBPGGYMAHCSNEC-UHFFFAOYSA-N
-rxn:4:187216:224619,COC(=O)c1cc(CN2CCC(F)CC2)cc(-c2ccc(OCCN3CCCC3)c(F)c2)c1,JOQGAYDXGSCXPP-UHFFFAOYSA-N
-rxn:4:187282:223999,CC1CCN(S(=O)(=O)c2ccc(F)c(-c3ccc(OCCN4CCCC(C)C4)cc3)c2)CC1,WJHWLOFUOPJPLD-UHFFFAOYSA-N
-rxn:4:187286:222639,Cc1ccc(-c2ccc([C@H](C)NC(=O)OC(C)(C)C)cc2)c(C(=O)N(C(C)C)C(C)C)c1,LPEKHMQIAJITPV-FQEVSTJZSA-N
-rxn:4:187287:223569,Cc1cccc(C(=O)N(C(C)C)C(C)C)c1-c1cnc2c(ccn2[Si](C(C)C)(C(C)C)C(C)C)c1F,VAAPNZVUTOZDHV-UHFFFAOYSA-N
-rxn:4:187297:224248,COC1CCN(CCc2ccc(-c3ccc(C(=O)N4CCC(C)CC4)c(Cl)c3)cc2)CC1,FYWYOYANENBJHT-UHFFFAOYSA-N
-rxn:4:187310:225223,CC1CCN(c2cc(F)c(-c3cc(Cl)cc(F)c3OCCN3CCCCC3C)cn2)CC1,UEVCVUJTEBTVDC-UHFFFAOYSA-N
-rxn:4:187313:224155,CCOc1ccc(-c2cc(C3CC3)cc(N3CCN(C)CC3)c2)cc1S(=O)(=O)N1CCCCC1,VNSCGLYTBPIEEI-UHFFFAOYSA-N
-rxn:4:187318:223695,COC(=O)c1ccc(-c2cccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)c(CN2CCOC(C)C2)c1,FZAPMBUTMDFWIQ-UHFFFAOYSA-N
-rxn:4:187318:223755,COC(=O)c1ccc(-c2ccc(OCCCN3CCC(C)CC3)c(F)c2)c(CN2CCOC(C)C2)c1,MJBNAMJIMNTWLJ-UHFFFAOYSA-N
-rxn:4:187322:222864,CC1CCN(Cc2ccc(OC(F)(F)F)c(-c3ccc(OCCNC(C)C)c(F)c3)c2)CC1,CTHPQQGHKSPDLY-UHFFFAOYSA-N
-rxn:4:187324:225472,COc1c(Cl)cc(C(=O)N2CCC(OC)CC2)cc1-c1cccc(N2CCCCC2C)c1,FWTXBLTXMLQYFI-UHFFFAOYSA-N
-rxn:4:187324:225745,COc1c(Cl)cc(C(=O)N2CCC(OC)CC2)cc1-c1ccc(CC(C)C)c([N+](=O)[O-])c1,LTDCDNWUXDRZQX-UHFFFAOYSA-N
-rxn:4:187326:224723,CCN(CC)S(=O)(=O)c1ccc(-c2cc(OC)c(C(=O)N3CCC(F)CC3)c(OC)c2)c(C)c1,XKIDOJWBRJCWKB-UHFFFAOYSA-N
-rxn:4:187364:222519,COc1cc(CN(C)C2CCOCC2)cc(-c2cc(C(F)(F)F)ccc2NC(=O)OC(C)(C)C)c1,NLDSIGZRLHWFOF-UHFFFAOYSA-N
-rxn:4:187374:224590,CC1CCN(Cc2ccc(-c3cccc(S(=O)(=O)CC(=O)N4CCC(C)CC4)c3)c(F)c2)CC1,DFDXGUKJLSCFCP-UHFFFAOYSA-N
-rxn:4:187389:223174,CCS(=O)(=O)Nc1ccc(-c2ccc(CC(=O)N3CCCC(C(F)(F)F)C3)cc2C)cc1,INMLOPLMUMEZKM-UHFFFAOYSA-N
-rxn:4:187433:224129,COC(=O)c1ccc(-c2cccc(C(=O)N(C)C3CCCCC3)c2)c(CN2CCCC(C)C2)c1,ZUUDDYUFGZANAG-UHFFFAOYSA-N
-rxn:4:187437:223579,Cc1ccc(C2CN(C(=O)OC(C)(C)C)C2)c(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3C)cc2)c1,SKLYEHXBDQYITJ-UHFFFAOYSA-N
-rxn:4:187437:224082,CCC(C(=O)OC(C)(C)C)c1cccc(-c2cc(C)ccc2C2CN(C(=O)OC(C)(C)C)C2)c1,DGDRIPRAMYSSMX-UHFFFAOYSA-N
-rxn:4:187570:225267,CCCOc1ccc(-c2c(C)cc(OCC(=O)N3CCC(C)CC3)cc2C)c(C(F)(F)F)c1,OTICHJRXZPDUAD-UHFFFAOYSA-N
-rxn:4:187575:223520,CC(c1ccc(-c2cccc(C3CCCN(C(=O)OC(C)(C)C)C3)c2)cc1)N1CCN(C(=O)OC(C)(C)C)CC1,XVUKFJMLEGLTHN-UHFFFAOYSA-N
-rxn:4:187575:223527,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)ccc2-c2cccc(C3CCCN(C(=O)OC(C)(C)C)C3)c2)CC1,BNYDIRRSHMJFFH-UHFFFAOYSA-N
-rxn:4:187580:224073,CC[Si](CC)(CC)c1cc2cccc(-c3ccc(C4CCN(C(=O)OC(C)(C)C)CC4C)o3)c2s1,RXSPCAWHIJOUHH-UHFFFAOYSA-N
-rxn:4:187589:225572,COC(=O)c1ccc(C2CC2)cc1-c1cc(C2CCCN(C(=O)OC(C)(C)C)C2)ccc1F,ZGQIJNDSBVRABR-UHFFFAOYSA-N
-rxn:4:187589:226566,COC(=O)c1ccc(OC)cc1-c1cc(C2CCCN(C(=O)OC(C)(C)C)C2)ccc1F,SWNYKQRDODWAID-UHFFFAOYSA-N
-rxn:4:187594:223576,CC(C)(C)OC(=O)N1CCC(Oc2cccc(-c3cc(F)cc(C4CCCN(C(=O)OC(C)(C)C)C4)c3)c2)CC1,WUEUTRPJKAWLBU-UHFFFAOYSA-N
-rxn:4:187641:223557,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc(S(=O)(=O)N4CCC(S(=O)(=O)c5ccccc5)CC4)cc3)c(F)ccc21,RESBJZZMAVBYTJ-UHFFFAOYSA-N
-rxn:4:187657:226013,CCN(C1CCCCC1)S(=O)(=O)c1cc(C)c(C)cc1-c1cc(OC(F)(F)F)ccc1SC,KBKROIJVEZYBLN-UHFFFAOYSA-N
-rxn:4:187663:226655,Cc1cc(-c2cc(Cl)cnc2N2CCCC2)ccc1C1CCCN(C(=O)OC(C)(C)C)C1,LHSDOIDPDRZISQ-UHFFFAOYSA-N
-rxn:4:187670:225218,CC1CCCN(c2ncc(-c3cc(Cl)cc(C4CCN(C(=O)OC(C)(C)C)CC4C)c3)cc2Cl)C1,KCHJWNWTWOEIIH-UHFFFAOYSA-N
-rxn:4:187670:227736,Cc1ncc(C(F)(F)F)cc1-c1cc(Cl)cc(C2CCN(C(=O)OC(C)(C)C)CC2C)c1,ZLPRCZSXIOKMQR-UHFFFAOYSA-N
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-rxn:4:187694:223896,COc1cccc(-c2cc(F)cc(-c3c(S(C)(=O)=O)c(C)n(C(C)C)c3-c3ccc(Cl)cc3)c2)c1C(=O)N(C(C)C)C(C)C,IPTUHTFZADPMDT-UHFFFAOYSA-N
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-rxn:4:187946:225440,COc1ccc2c(c1-c1ccc(C3(C#N)CCCC3)cc1)CCN(C(=O)OC(C)(C)C)[C@@H]2C,UYYNWRITHNNRGU-LJQANCHMSA-N
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-rxn:4:189971:223835,Cc1cc(F)c(-c2cc(OC(F)(F)F)cc(N3CCC(F)(F)CC3)c2)cc1S(=O)(=O)N1CCC(C)CC1,DUDUPQNSJMXXOF-UHFFFAOYSA-N
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-rxn:4:190270:224371,COC(=O)C1CCN(c2ncc(-c3cc(F)ccc3CC(=O)N3CCCCC3C)cn2)CC1,YBELMQKPRPLBIW-UHFFFAOYSA-N
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-rxn:4:190342:223892,CC(c1ccccc1-c1ccc(OCCCN2CCN(C)CC2)cc1)N1CCCC(C(F)(F)F)C1,YCFNFJHKZGHKHZ-UHFFFAOYSA-N
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-rxn:4:190380:224771,COc1cc(S(=O)(=O)N2CCCCCC2)ccc1-c1ccc(C)c(S(=O)(=O)N2CCCC2)c1,AAFRMYUPPLMABW-UHFFFAOYSA-N
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-rxn:4:190609:223541,COC(=O)Cc1nccc2c(-c3cc(F)c(F)cc3S(=O)(=O)N3CCC4(CC3)OCCO4)cccc12,GHRJNAIJYRHCEA-UHFFFAOYSA-N
-rxn:4:190826:222637,CC(NC(=O)OC(C)(C)C)c1ccc(-c2ccc3c(c2)C(=O)N(C(=O)OC(C)(C)C)C3)cc1,UWRFLNGCQWLUSX-UHFFFAOYSA-N
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-rxn:4:190931:222945,CC(C)NS(=O)(=O)c1ccc(-c2ccc3c(c2)C(=O)CCN3C(=O)OC(C)(C)C)cc1F,BHMCVHXJQDXXDA-UHFFFAOYSA-N
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-rxn:4:190932:225361,CC(C)(C)OC(=O)N1CC(=O)c2cc(-c3cn(C4CCCC4)nc3C(F)(F)F)ccc2C1,NMTUXMFOTDBPJX-UHFFFAOYSA-N
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-rxn:4:190956:223898,CC(C)N(C(=O)OC(C)(C)C)c1ccc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CCC3)cc1,DTVJFGASQILXPG-UHFFFAOYSA-N
-rxn:4:190958:224168,CCN(C(=O)OC(C)(C)C)c1cccc(-c2cccc3c2N(C(=O)OC(C)(C)C)CCC3)c1,CEJMHQXOLSMWHJ-UHFFFAOYSA-N
-rxn:4:190989:222613,CCCNS(=O)(=O)c1ccc(-c2cc(C(=O)OC)cc3c2N(C(C)C)CCCO3)c(C(F)(F)F)c1,HEIUROHJTYGJQJ-UHFFFAOYSA-N
-rxn:4:191039:222751,Cc1ccc(-c2ccc3c(c2)C(C)(C)CN3C(=O)OC(C)(C)C)cc1NC(=O)OC(C)(C)C,VBZCVVZSJWBZAB-UHFFFAOYSA-N
-rxn:4:191063:225074,COc1cccc2c(-c3ccc4c(c3)OC3(CC4=O)CN(C(=O)OC(C)(C)C)C3)c(C(C)C)nn12,VNCZOJJJCCVRTB-UHFFFAOYSA-N
-rxn:4:191078:223823,COc1cc(C)c(-c2cnn(C3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1S(=O)(=O)N1CCCc2ccccc21,SILRYMBQSZWRJT-UHFFFAOYSA-N
-rxn:4:191087:222823,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CCC3(C)C)c(F)c1,QIGIKHRWMDKDNL-UHFFFAOYSA-N
-rxn:4:191087:225568,COC(=O)C(C)(C)c1ccc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CCC3(C)C)cc1,CURYWWQQBMQHLY-UHFFFAOYSA-N
-rxn:4:191089:222910,CCCNS(=O)(=O)c1ccc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3(C)C)c(C)c1,CPDZOBQPJMSOBC-UHFFFAOYSA-N
-rxn:4:191092:224077,CC(C)(C)OC(=O)N1Cc2cc(-c3cn([Si](C)(C)C(C)(C)C)c4ccccc34)ccc2CC1(C)C,QCVGRPHOCWFMRV-UHFFFAOYSA-N
-rxn:4:191093:223891,Cc1cc(CC(=O)N2CC3CCCCC3C2)ccc1-c1c(F)ccc2c1ccn2[Si](C)(C)C(C)(C)C,YNRVOUWTQCGTRL-UHFFFAOYSA-N
-rxn:4:191097:222759,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3cc(C)cc(NC(=O)OC(C)(C)C)c3)cc21,MVGLCFYSCFDUPE-UHFFFAOYSA-N
-rxn:4:191099:227740,Cc1cc(-c2ccc3c(c2)C(=O)C2(CCN(C(=O)OC(C)(C)C)CC2)O3)cc(C(F)(F)F)n1,FLGQYEXPIZKSOR-UHFFFAOYSA-N
-rxn:4:191103:224274,CC(C)(C)OC(=O)N1CCC2(C=Cc3ccc(-c4cc5cnccc5n4C(=O)OC(C)(C)C)cc32)CC1,WMXPDEHHTKLXRW-UHFFFAOYSA-N
-rxn:4:191118:223637,CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)c1ccc(-c3ccccc3C3CCCN(C(=O)OC(C)(C)C)C3)cc12,RDQFHMOKNQWTHK-UHFFFAOYSA-N
-rxn:4:191118:228431,CSc1c(F)cc(F)cc1-c1ccc2c(c1)C1(CCN(C(=O)OC(C)(C)C)CC1)CC2=O,STKMGKYNSYZZSE-UHFFFAOYSA-N
-rxn:4:191119:223635,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3ccc4c(c3)C(=O)C3(CCN(C(=O)OC(C)(C)C)CC3)C4)cc2)CC1,OTEKUJBPAXYVSF-UHFFFAOYSA-N
-rxn:4:191119:224179,CN1CCN(CCOc2ccc(-c3ccc4c(c3)C(=O)C3(CCN(C(=O)OC(C)(C)C)CC3)C4)cc2)CC1,ARYNSZJHFZRKLP-UHFFFAOYSA-N
-rxn:4:191124:223520,CC(c1ccc(-c2ccc3c(c2)C2(CC3)CCN(C(=O)OC(C)(C)C)CC2)cc1)N1CCN(C(=O)OC(C)(C)C)CC1,IQMMDQFCZWVNDU-UHFFFAOYSA-N
-rxn:4:191125:224082,CCC(C(=O)OC(C)(C)C)c1cccc(-c2ccc3c(c2)CCC32CCN(C(=O)OC(C)(C)C)CC2)c1,TWVMJTHYHDTXFX-UHFFFAOYSA-N
-rxn:4:191171:224485,CC1=CC(C)(C)N2C(=O)C(=O)c3cc(OC(=O)c4ccccc4-c4ccn([Si](C(C)C)(C(C)C)C(C)C)c4)cc1c32,QGWLVRVVHIAFBA-UHFFFAOYSA-N
-rxn:4:191189:222512,COc1ccc2c(c1)C1CC(C)(O2)N(C)C(=O)C1S(=O)(=O)c1ccc(-c2cc(C(=O)Nc3ccccc3)cc([N+](=O)[O-])c2)cc1,IVPYVGQDVWWHHV-UHFFFAOYSA-N
-rxn:4:191194:223652,COc1ccc(Cl)c2cc(-c3ccc4c5c(cccc35)C(=O)N(c3c(C(C)C)cccc3C(C)C)C4=O)n(C(=O)OC(C)(C)C)c12,HXHRILWMIVBKLV-UHFFFAOYSA-N
-rxn:4:191641:223683,CC(C)(C)OC(=O)N1CCC(Oc2ncc(-c3cnc(F)c(C(F)(F)C(F)(F)F)c3)cn2)C1,ZIMMGZPGKBAYNN-UHFFFAOYSA-N
-rxn:4:191886:222426,CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)Nc1ccc(-c3ccc(OC4CC4)nc3)cc12,WTKPAEHFJLFTEC-UHFFFAOYSA-N
-rxn:4:192503:223526,CN(C)Cc1cc(F)cc(-c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cc2)c1,VDYORKGBTLMBOJ-UHFFFAOYSA-N
-rxn:4:192713:223502,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3cc(Cl)ccc3CN3CCC3)cc2F)CC1,RBMGPQZSTBMDFY-UHFFFAOYSA-N
-rxn:4:192772:223841,CSC1=NC(=Cc2ccc(-c3cc(S(=O)(=O)N4CCN(C)CC4)c(C)cc3F)cc2)C(=O)S1,XIGHPLMMBMTCHJ-UHFFFAOYSA-N
-rxn:4:193357:222389,O=S(=O)(c1cccc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)c1)N1CCOCC1,WSEPPLWJUUHCDZ-UHFFFAOYSA-N
-rxn:4:193510:223816,C[Si](C)(C)CCOCn1c(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(F)c2)cc2c(Cl)ccnc21,HOLJPDDIDCQBCD-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:4:193566:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3ccc(S(=O)(=O)N4CCCC4)c(C)c3)c2)CC1,ADVHXURGNGWZLM-UHFFFAOYSA-N
-rxn:4:193568:223695,CC(=O)c1ccc(N2CCOCC2)c(-c2cccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)c1,OEFODOGEPLSWDS-UHFFFAOYSA-N
-rxn:4:193676:223812,Fc1cc(CN2CCC3(CC2)OCCO3)cc(-c2cc(C3CC3)ccc2N2CCCC2)c1,AYKIYYCOIBMIRG-UHFFFAOYSA-N
-rxn:4:193697:223508,CS(=O)(=O)N1C=CC(c2ccc(-c3ccc(N4CCN(S(=O)(=O)c5ccc(Cl)cc5)CC4)nc3)cc2)CC1,PFIBOSBGQJBPEK-UHFFFAOYSA-N
-rxn:4:193751:223649,CC1CCCN(C(=O)c2cc(Cl)ccc2-c2cccc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)C1,HYKFCZOJPHDOJM-UHFFFAOYSA-N
-rxn:4:193829:222612,CC1CCCN(S(=O)(=O)c2ccc(-c3cc(S(=O)(=O)N4CCC(O)CC4)ccc3F)cc2)C1,RSJDMYXDYYUNQO-UHFFFAOYSA-N
-rxn:4:193831:224323,Cc1ccc(-c2cc(C)c(S(=O)(=O)N3CCCC3)c(C)c2)cc1S(=O)(=O)N1CCCCC1,CHVWKASITAZRSP-UHFFFAOYSA-N
-rxn:4:193832:224391,Cc1cc(S(=O)(=O)N2CCOCC2)ccc1-c1cc(C)c(S(=O)(=O)N2CCCC2)cc1C,JBCVSMMSKORFOV-UHFFFAOYSA-N
-rxn:4:193836:222589,CC1CCN(S(=O)(=O)c2cccc(-c3ccc(OCCN4CCC(O)CC4)c(Cl)c3)c2)CC1,CKKBOVMEFSKLDS-UHFFFAOYSA-N
-rxn:4:193888:224323,Cc1cc(-c2cc(C)c(S(=O)(=O)N3CCCC3)c(C)c2)cc(S(=O)(=O)N2CCC(F)(F)CC2)c1,YZUPFJQPTDRQPT-UHFFFAOYSA-N
-rxn:4:193933:222522,COc1ccc(-c2cc(C)cc(C(=O)N3CCC(C)CC3)c2F)cc1S(=O)(=O)N1CCC(O)CC1,QXOALYULLYWGNZ-UHFFFAOYSA-N
-rxn:4:193942:223999,Cc1ccc(CN2CCC(C)CC2)c(-c2cc(S(=O)(=O)N3CCC(C)CC3)ccc2F)c1,YPRBSDIAWKBQSC-UHFFFAOYSA-N
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-rxn:4:202097:224750,CC(C)(C)OC(=O)N1CCC(c2cccc(-c3ccc(Cl)c(C(=O)N4CCOCC4)c3)n2)CC1,YPXNINHSGYVPLN-UHFFFAOYSA-N
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-rxn:4:202310:224440,Cc1cc(OCc2ccccc2)cc(-c2ccc(S(=O)(=O)N3CCCSCC3CN3CCOCC3)cc2)c1,HXVOVXLRAOWPEA-UHFFFAOYSA-N
-rxn:4:202310:226177,O=S(=O)(c1ccc(-c2ccnc(C3CCCCC3)c2)cc1)N1CCCSCC1CN1CCOCC1,YQSPWEUTLLVGPX-UHFFFAOYSA-N
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-rxn:4:202601:228232,CCOC(=O)C1=C(C)N=C2SCCC(=O)N2C1c1cccc(-c2cnc(Cl)c(C3CC3)c2)c1,YPTCNTDEDHRFMB-UHFFFAOYSA-N
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-rxn:4:202720:222466,Cc1ccc2ncc(C(=O)N3CCCC3)c(S(=O)(=O)c3ccc(-c4cc(C5CCCCC5)nc(C5CCNCC5)c4)cc3)c2c1,PBPZDGSZXRTEDU-UHFFFAOYSA-N
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-rxn:4:203477:223501,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3ccc(Cc4nc(C5CC5)no4)cc3)cc2Cl)CC1,OPFLCWOJOGDZPM-UHFFFAOYSA-N
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-rxn:4:203703:224649,O=C(c1ncc(-c2cc(F)ccc2OCC2CCCCO2)cc1Cl)N1CCC(C(F)(F)F)CC1,PPNITQHUVDGPLC-UHFFFAOYSA-N
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-rxn:4:203809:222700,CC1CCCCN1C(=O)Cc1cncc(-c2ccc(C(F)(F)F)cc2C2CCCNC2)c1,DVAXGJGJQBJXBI-UHFFFAOYSA-N
-rxn:4:203853:222466,CC(C)N1CCC(Cc2cccc(-c3cc(C4CCCCC4)nc(C4CCNCC4)c3)n2)C1,QQDFEQQHAIKFHB-UHFFFAOYSA-N
-rxn:4:203878:223754,CC1CCN(CCCOc2ccc(-c3ccc([N+](=O)[O-])cc3CN3CCC(C)CC3)cc2Cl)CC1,ZLICJRCMOGFAHN-UHFFFAOYSA-N
-rxn:4:203878:223954,CC1CCN(Cc2cc([N+](=O)[O-])ccc2-c2ccc(OCCN3CCC(=O)CC3)c(F)c2)CC1,JBENEVABBAVLFP-UHFFFAOYSA-N
-rxn:4:203889:222827,COC(=O)c1ccc(-c2cc(F)c(S(=O)(=O)NC3CC3)cc2F)cc1N1CCN(C)CC1,RQLSLQPXRVTDCT-UHFFFAOYSA-N
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-rxn:4:204027:224486,CC(C)N(C(=O)c1cccc(-c2ccccc2CN2CCN(S(C)(=O)=O)C[C@@H]2C)c1)C(C)C,YKZJIQVPUHZPPX-NRFANRHFSA-N
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-rxn:4:204108:224645,COc1cc(C(=O)N2CCCC2)ccc1-c1cncc(C(=O)N2CCC(c3ccccc3)S(=O)(=O)CC2)c1,WCVUIIHKPJTRRO-UHFFFAOYSA-N
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-rxn:4:204172:223169,CC1CCN(Cc2ccc(-c3cnc(C4CCNCC4)nc3)cc2N2CCCCC2)CC1,XJKUFAMHPHXDIQ-UHFFFAOYSA-N
-rxn:4:204172:224956,CC1CCN(Cc2ccc(-c3cccc(O[Si](C)(C)C(C)(C)C)c3)cc2N2CCCCC2)CC1,JHZWNOQXMCOSLO-UHFFFAOYSA-N
-rxn:4:204173:224155,Cc1cc(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)ccc1-c1cc(C2CC2)cc(N2CCN(C)CC2)c1,ALNPIAKKNVMRTF-UHFFFAOYSA-N
-rxn:4:204223:223498,CCOC(=O)c1cc2cc(-c3ccc(C(=O)N4CCCN(C(=O)OC(C)(C)C)CC4)cc3)cn2cn1,NCSYDIUWVGJVRX-UHFFFAOYSA-N
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-rxn:4:204557:223941,CC(C)(C)OC(=O)N1CCOc2cc(-c3ccc4c(c3)CC(=O)N4C(=O)OC(C)(C)C)cnc21,IDRKLYHOOIKLLS-UHFFFAOYSA-N
-rxn:4:204595:223790,CC(C)(C)OC(=O)N1CCc2nc(-c3cncc(C4CCCN4C(=O)OC(C)(C)C)c3)sc2CC1,XPCGPGLHHZGKNM-UHFFFAOYSA-N
-rxn:4:204605:224719,CC(C)c1nn(C(=O)OC(C)(C)C)cc1-c1cnc2c(c1)C(C)CN2C(=O)OC(C)(C)C,SEQUPCZNDKKXKW-UHFFFAOYSA-N
-rxn:4:204659:222997,CC(C)(C)OC(=O)N1CC2(C1)OCc1cc(-c3ccc(Cl)cc3C3CCCNC3)cnc12,HMRPFZMWUXUKBU-UHFFFAOYSA-N
-rxn:4:204689:228189,CCCN1C(=O)C(=C2SC(=S)N(CC)C2=O)c2cc(-c3cc(SCC)ccc3F)ccc21,ZVFLVUIWMZRSQH-UHFFFAOYSA-N
-rxn:4:204700:224290,O=C(c1ccc(-c2ccc(Cl)cc2OCCN2CCOCC2)o1)N1CC(N2C(=O)C3CC=CCC3C2=O)C1,RKZNVCGOEJKNLC-UHFFFAOYSA-N
-rxn:4:204700:227528,COC(=O)c1ccc(-c2ccc(C(=O)N3CC(N4C(=O)C5CC=CCC5C4=O)C3)o2)cc1F,AZTNWQCODBYZCS-UHFFFAOYSA-N
-rxn:4:204705:226768,CSc1ccc(-c2ccc(N3C(=NC(=O)C4CC4)SC4CS(=O)(=O)CC43)c(Cl)c2)cc1C(F)(F)F,VYRZMTXFISMBIJ-UHFFFAOYSA-N
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-rxn:4:204740:224272,CCN1C(=O)C(=C2SC(=S)N(CC(C)C)C2=O)c2cc(-c3cc4ccncc4n3C(=O)OC(C)(C)C)ccc21,QUQWHVXCMAWABD-UHFFFAOYSA-N
-rxn:4:204744:227489,CN(C)c1ncc(-c2ccccc2C(=O)N2CC(N3C(=O)C4CC=CCC4C3=O)C2)cc1C#N,LHACTHPTBGSGKD-UHFFFAOYSA-N
-rxn:4:206436:223670,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2cc(C(=O)N3CCOCC3)cnc2Cl)CC1,PAFLNLFUIVPQIH-UHFFFAOYSA-N
-rxn:4:206487:223787,CCc1nc(N2CCOCC2)sc1-c1ccc(OCCCN2CCN(C)CC2)c(F)c1,YKMKNMXDDCZGNI-UHFFFAOYSA-N
-rxn:4:206697:222524,CS(=O)(=O)N1CCCC(c2ncc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCC(O)CC3)s2)C1,FINYJFAHFJTOEU-UHFFFAOYSA-N
-rxn:4:206697:223920,CN(C(=O)c1ccc(-c2cnc(C3CCCN(S(C)(=O)=O)C3)s2)c(Cl)c1)C1CCCCC1,RGSSRRVIKHJBQS-UHFFFAOYSA-N
-rxn:4:206706:222546,CC1CN(C(=O)c2cncc(-c3ccc(OCCNC4CCCCC4)c(F)c3)c2)CCO1,HCRGTDJQWJXZDH-UHFFFAOYSA-N
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-rxn:4:207072:222630,CN1CCN(c2cc(-c3cc(C4CCC4)nc(C4CCNCC4)c3)ccc2C2CC2)CC1,IAXYPKHLHDNCEL-UHFFFAOYSA-N
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-rxn:4:213058:222700,O=C(Cc1ccc(F)cc1)N1CCCC(Oc2ncc(-c3ccc(C(F)(F)F)cc3C3CCCNC3)cn2)C1,AJJWWINUHLTVHJ-UHFFFAOYSA-N
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-rxn:4:213072:224670,CN1CCN(Cc2ccc(F)c(-c3cnn(CC4CCCN(C(=O)OC(C)(C)C)C4)c3)c2)CC1,RKUZLKMVDFUTIK-UHFFFAOYSA-N
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-rxn:4:213104:227955,Cc1cnc(C(C)C)c(-c2cccnc2OC2CCN(C(=O)CN3C(=O)CCC3=O)CC2)c1,JATSTWHHNMJWGT-UHFFFAOYSA-N
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-rxn:4:213126:225286,CC(C)(C)OC(=O)c1cnc(F)cc1-c1ccc(CN2CCN(C(=O)OC(C)(C)C)CC2)cn1,RZHIVPXIEHASDK-UHFFFAOYSA-N
-rxn:4:213126:225526,CCN(CC)C(=O)c1cccc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)cn2)c1,QKFKFJLMWNXJRD-UHFFFAOYSA-N
-rxn:4:213130:226741,CC(C)(C)OC(=O)N1CCN(Cc2cncc(-c3cc(C(F)(F)F)ccc3C#N)c2)CC1,MJWGXIMSWNVHLM-UHFFFAOYSA-N
-rxn:4:213131:225518,CCCCCOc1ncc(C)cc1-c1cnc(OCC2CCN(C(=O)C(C)(C)C)CC2)nc1,DYDXBDKOWNLJRE-UHFFFAOYSA-N
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-rxn:4:213141:228009,CC(C)(C)OC(=O)N1CCN(c2ccc([N+](=O)[O-])c(-c3ccc(C4CC4)c(F)c3)c2)CC1,VEJRXGIQKVKZHL-UHFFFAOYSA-N
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-rxn:4:213213:227736,Cc1ncc(C(F)(F)F)cc1-c1cccc(N(C)C2CCN(C(=O)OC(C)(C)C)CC2)n1,YKARWHYYBDDNCC-UHFFFAOYSA-N
-rxn:4:213217:227702,CCN1CCN(c2ncc(-c3cc(C(=O)OC)cnc3F)cc2C(=O)OC(C)(C)C)CC1,DTZKQDPNJMEFRV-UHFFFAOYSA-N
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-rxn:4:213219:227702,CCN1CCN(c2ccc(-c3cc(C(=O)OC)cnc3F)c(C(=O)OC(C)(C)C)n2)CC1,ASSWCSXYPCSUAS-UHFFFAOYSA-N
-rxn:4:213221:226662,CC1CN(C(=O)OC(C)(C)C)CCN1c1ccc(-c2ccc(N3CCN(C)CC3)s2)cc1[N+](=O)[O-],WJVUTCSFOIGKKQ-UHFFFAOYSA-N
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-rxn:4:213258:225665,Cc1nn(CC2CCCN(C(=O)OC(C)(C)C)C2)c(C)c1-c1ccc(Cl)cc1N1CCCCC1,AHTXAIAPGRYWMZ-UHFFFAOYSA-N
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-rxn:4:213392:222573,O=C(NCC1CCCCC1)c1cc(F)cc(-c2cnc(OCC3CCCN(Cc4ccc5c(c4)OCCO5)C3)nc2)c1,SQCFKQGEFRCDHD-UHFFFAOYSA-N
-rxn:4:213393:224970,COc1cc(OC)cc(C(=O)N2CCN(c3nc4ccc(-c5ccc(S[Si](C)(C)C(C)(C)C)cc5)cc4s3)CC2)c1,FPBQRVCRXGNLRO-UHFFFAOYSA-N
-rxn:4:213395:222855,COc1cc(-c2ccc3ccn(CC(=O)N4CCN(S(=O)(=O)c5ccc(F)cc5)CC4)c3c2)cc(C2CCCNC2)c1,KHKFMTHYEWZJKP-UHFFFAOYSA-N
-rxn:4:213395:223830,CCN1CCN(S(=O)(=O)c2cc(-c3ccc4ccn(CC(=O)N5CCN(S(=O)(=O)c6ccc(F)cc6)CC5)c4c3)ccc2C)CC1,RTZYFFRIOJZLPN-UHFFFAOYSA-N
-rxn:4:213407:223557,CCS(=O)(=O)c1ccc(C(=O)N2CCN(c3nc4ccc(-c5c(F)ccc6c5ccn6[Si](C(C)C)(C(C)C)C(C)C)cc4s3)CC2)cc1,MTZYDHMLXVFIRX-UHFFFAOYSA-N
-rxn:4:213412:228485,CC(C)CS(=O)(=O)C1CCN(C(=O)c2c3ccc(-c4ccncc4C(F)(F)F)cc3nn2C)CC1,LHMCIXKCOWYURP-UHFFFAOYSA-N
-rxn:4:213458:223239,COc1ccc(-c2cncc(C3CCCN3)c2)cc1[C@@H]1[C@@H](C(C)=O)N2c3ccccc3C=C[C@@H]2C1(C#N)C#N,PGXFGOWDMGHFKF-NSJGKFDQSA-N
-rxn:4:213628:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2ccn(C3CN(C(=O)OC(C)(C)C)C3)n2)cc1,XVJRDEHTUVTVBT-UHFFFAOYSA-N
-rxn:4:213659:223953,CCOC(=O)C1CCCN(c2ncc(-c3cc(F)cc(N4CCN(CCOC)CC4)c3)cn2)C1,PHCVXQGQHBVPSK-UHFFFAOYSA-N
-rxn:4:213659:223958,CCOC(=O)C1CCCN(c2ncc(-c3ccc(C(=O)N4CCN(CC)CC4)c(F)c3)cn2)C1,FTOZFTJEBGBHOC-UHFFFAOYSA-N
-rxn:4:213659:223960,CCOC(=O)C1CCCN(c2ncc(-c3ccc(F)c(C(=O)N4CCN(CC)CC4)c3)cn2)C1,HIZJGSUBUQITRC-UHFFFAOYSA-N
-rxn:4:213662:222723,CC(=O)N1CCC(COc2ncc(-c3cccc(NS(=O)(=O)N4CCOCC4)c3)cn2)CC1,BVRQRDSAWRITTJ-UHFFFAOYSA-N
-rxn:4:213665:224193,CCOC(=O)N1CCN(c2ncccc2-c2ccc(F)c(CN3CCN(CC)CC3)c2)CC1,OLNHBPDKLCQFJV-UHFFFAOYSA-N
-rxn:4:213665:224195,CCOC(=O)N1CCN(c2ncccc2-c2ccc(Cl)c(CN3CCN(CC)CC3)c2)CC1,GVWRYQUQBRXBGL-UHFFFAOYSA-N
-rxn:4:213705:223812,O=C(c1cncc(-c2cc(F)cc(CN3CCC4(CC3)OCCO4)c2)c1)N1CCC(Oc2ccncc2Cl)C1,HPRMDPOWJKXWLX-UHFFFAOYSA-N
-rxn:4:213720:225233,CC1CCCN(c2cc(-c3ccnn3C3CCN(C(=O)OC(C)(C)C)C3)cnc2Cl)C1,JQLRZFWKBPECSR-UHFFFAOYSA-N
-rxn:4:213726:222523,COC(=O)c1cnn(-c2ccc(-c3ccc(S(=O)(=O)NC(C)(C)C)cc3C(F)(F)F)cn2)c1C(C)(C)C,DMVXYOICGBVDPU-UHFFFAOYSA-N
-rxn:4:213743:222675,COc1cc(-c2cnccc2OC2CCN(c3cccc(C(F)(F)F)n3)C2)ccc1NC(=O)OC(C)(C)C,TUFWXJHENHWMOE-UHFFFAOYSA-N
-rxn:4:213755:223593,CC(C)(C)OC(=O)N1CCN(c2nc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)c(Cl)c3)cs2)CC1,VNNJFVTWSIBGTB-UHFFFAOYSA-N
-rxn:4:213764:223777,CC(C)(C)OC(=O)N1CCc2c(ccc(-c3cnc(C4CCN(C(=O)OC(C)(C)C)C4)cn3)c2F)C1,PFBFLCQLRCJBID-UHFFFAOYSA-N
-rxn:4:213764:224775,CC(C)(C)OC(=O)N1CCC(c2cnc(-c3cnc(C(F)(F)F)c(C4CCCC4)c3)cn2)C1,XHMHPCWXIWBIQJ-UHFFFAOYSA-N
-rxn:4:213778:223644,CCOC(=O)C1CCCN(C(=O)c2ccc(-c3ccc(N4CCN(CC)CC4)nc3C(=O)OC)cc2)C1,XKPNQILCZHDSQG-UHFFFAOYSA-N
-rxn:4:213838:223693,CC(C)(C)OC(=O)N1CCC(c2n[nH]cc2-c2cc(O[Si](C)(C)C(C)(C)C)cc(C(F)(F)F)c2F)CC1,KYDAMAYDORSETQ-UHFFFAOYSA-N
-rxn:4:213839:223945,CC(C)(C)OC(=O)N1CCC(n2ccnc2-c2ccc(OCCCN3CCOCC3)c(F)c2)CC1,SLIVJSUMMYKGCR-UHFFFAOYSA-N
-rxn:4:213856:222583,O=C(NCCN1CCOCC1)c1ccc(-c2cnc(OC3CCN(Cc4cccc(F)c4)CC3)nc2)cc1,BZWWCQDXYLZKLG-UHFFFAOYSA-N
-rxn:4:213859:223498,Cc1nn(C(=O)N(c2ccccc2)c2ccccc2)c(C)c1-c1ccc(C(=O)N2CCCN(C(=O)OC(C)(C)C)CC2)cc1,BIOQYQJYNHGXHU-UHFFFAOYSA-N
-rxn:4:213871:223540,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1cnc(OC2CCCN(S(=O)(=O)c3ccc(F)c(F)c3)C2)nc1,ISQBSUCWJIPXMC-UHFFFAOYSA-N
-rxn:4:213877:222929,CC(C)(C)OC(=O)N1CCN(c2ccnc(-c3cnc(Cl)c(N4CCC(O)CC4)c3)c2)CC1,RXQOKUJKRNBKBN-UHFFFAOYSA-N
-rxn:4:213879:223065,CC(C)(C)OC(=O)N1CCN(c2cccnc2-c2ccc(N3CCNCC3)cc2F)CC1,UXFJTJZFYHUZSW-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:4:213898:224196,CCN1CCN(Cc2cc(F)cc(-c3cnc(OC4CCN(C(=O)C(C)(C)C)CC4)nc3)c2)CC1,BYYBMVVCDOQWOP-UHFFFAOYSA-N
-rxn:4:213901:223175,CCS(=O)(=O)Nc1cccc(-c2ccc(Cl)nc2N2CCN(C(=O)OC(C)(C)C)CC2)c1,LVJUYYUVESGTRL-UHFFFAOYSA-N
-rxn:4:213901:223592,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc(Cl)nc3N3CCN(C(=O)OC(C)(C)C)CC3)c(Cl)c2)CC1,GAHRRODQXXCVQD-UHFFFAOYSA-N
-rxn:4:213928:222621,Cc1nccc(OC2CCCN(C(=O)c3ccccc3-c3cc(CC(C)C)nc(C4CCCNC4)c3)C2)n1,CJYDRINULZKVHL-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:4:213937:224175,COc1ccc(C(=O)OCC(C)(C)C)c(-c2ccccc2S(=O)(=O)N2CCN(c3ccnc(OC)c3)C(=O)C2)c1,MESQBTYHGBLCLB-UHFFFAOYSA-N
-rxn:4:213938:222988,Cc1cc(-c2ccc(S(=O)(=O)N3CCN(c4ccc(C(F)(F)F)cn4)CC3)cc2)cc(C2CCNCC2)n1,PDVIEXYVWKFKBH-UHFFFAOYSA-N
-rxn:4:213954:224309,CC(C)(C)[Si](C)(C)Oc1ccc(Cl)c(-c2cnccc2OC2CCN(C3CCN(C4CC4)C3=O)C2)c1F,HVDCMMXQXNFXGZ-UHFFFAOYSA-N
-rxn:4:213961:222522,COc1ccc(-c2ccc(N3CCC(COc4ccncc4C)CC3)nc2)cc1S(=O)(=O)N1CCC(O)CC1,MRXKWJXQRWWEAT-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:4:213971:225518,CCCCCOc1ncc(C)cc1-c1cc(C(F)(F)F)cnc1N1CCOC(C(=O)N2CCOCC2)C1,UBFRCEIERJPZCU-UHFFFAOYSA-N
-rxn:4:213973:226587,O=C(C1CN(c2ncc(C(F)(F)F)cc2-c2cnc(OC3CCC3)cc2F)CCO1)N1CCSCC1,YKQFDTNKYYSIGH-UHFFFAOYSA-N
-rxn:4:213974:223503,CC(C)(C)OC(=O)N1CCC(Oc2cc(F)c(-c3cccc(N4CCCN(C(=O)OC(C)(C)C)CC4)n3)c(F)c2)CC1,YNSPBMMZXSXZLX-UHFFFAOYSA-N
-rxn:4:213982:225526,CCN(CC)C(=O)c1cccc(-c2cc(C3CCN(C(=O)OC(C)(C)C)CC3C)ncn2)c1,QGZDPHIDMOHHTC-UHFFFAOYSA-N
-rxn:4:213985:223940,Cc1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)c(-c2ccc3c(c2)OCCN3C(=O)OC(C)(C)C)c1,LKXDRSMNPRMAQU-UHFFFAOYSA-N
-rxn:4:213990:226750,COc1ccc(C(F)(F)F)cc1-c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1C,QUYAMXISVZQUBR-UHFFFAOYSA-N
-rxn:4:214000:227683,CC1CN(C(=O)OC(C)(C)C)CCN1c1ncc(-c2ccc(C#N)cc2[N+](=O)[O-])cc1F,GPSPLSAHHLDJCF-UHFFFAOYSA-N
-rxn:4:214003:222916,CN1CC(C(=O)N2CCC(Oc3ncccc3-c3cccc(C(=O)NC4=NCCS4)c3)CC2)CC1=O,CSEWBZRVHGYGFM-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:4:214038:223489,Cc1ccc(S(=O)(=O)N2CCCC(Oc3ncc(-c4ccc(S(=O)(=O)N5CCC(O[Si](C)(C)C(C)(C)C)CC5)cc4)cn3)C2)cc1C,UWQWHLNGENQEOX-UHFFFAOYSA-N
-rxn:4:214050:227493,CC(C)Cc1nc(Cl)ncc1-c1cnc(N2C[C@H](C)N(C(=O)OC(C)(C)C)C[C@H]2C)c(F)c1,OGPHZJNDKOCIMJ-CVEARBPZSA-N
-rxn:4:214074:223936,Cc1nn(S(=O)(=O)c2ccc(-c3cc4c(F)cccc4n3C(=O)OC(C)(C)C)cc2)c(C)c1S(=O)(=O)N1CCCC(C)C1,LLSLUSYRHVRZEI-UHFFFAOYSA-N
-rxn:4:214180:223790,CC(C)(C)OC(=O)N1CC(c2cc3ccc(-c4cncc(C5CCCN5C(=O)OC(C)(C)C)c4)cn3n2)C1,CSWLHRFNIONUAR-UHFFFAOYSA-N
-rxn:4:214246:224265,CN(C)S(=O)(=O)c1ccc(C(=O)N=c2sc3cc(-c4cc(C5CCCCC5)cc(C(F)(F)F)c4)ccc3n2C)cc1,AMPWTPBOTCYYGS-UHFFFAOYSA-N
-rxn:4:214328:223650,CC(C)(C)OC(=O)N1CCN(c2ccccc2-c2ccc(CN3CCC(Cn4cnc5ccccc5c4=O)CC3)cc2)CC1,ILPQZWZJZJXJNU-UHFFFAOYSA-N
-rxn:4:214333:224359,CCN(CC)C(=O)c1cc(-c2ccc3c(C)nc(C4CCN(C(=O)OC(C)(C)C)CC4)nc3c2)cc([N+](=O)[O-])c1,DNZCCZRGSKIPNK-UHFFFAOYSA-N
-rxn:4:214347:225926,Cn1c(=NC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)sc2cc(-c3ccc(S(=O)(=O)N4CCC4)cc3)ccc21,SGYTUQBANAAJEA-UHFFFAOYSA-N
-rxn:4:214360:224488,CC1CC(C)CN(S(=O)(=O)c2ccc(C(=O)N=c3sc4cc(-c5ccc(C(=O)N(C(C)C)C(C)C)cc5)ccc4n3C)cc2)C1,WDHLEKXXMXZHLY-UHFFFAOYSA-N
-rxn:4:214630:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3c(C4CC4)n[nH]c3C(=O)N3CCOCC3)c2Cl)CC1,VJXDAOFNWRLGHP-UHFFFAOYSA-N
-rxn:4:214654:223896,COc1cccc(-c2cc([N+](=O)[O-])cnc2OC2CCN(C)CC2)c1C(=O)N(C(C)C)C(C)C,ASYBETQGURILGY-UHFFFAOYSA-N
-rxn:4:214663:223945,Cn1ncc(-c2ccc(OCCCN3CCOCC3)c(F)c2)c1C(=O)N1CCCC(C(F)(F)F)C1,KFLGMUBWTYWYAF-UHFFFAOYSA-N
-rxn:4:214711:224063,CCS(=O)(=O)N1CCN(c2ccc(-c3cc(C4CC4)cc(N4CCCC(C)C4)c3)cn2)CC1,MQGQLVWENAQSJC-UHFFFAOYSA-N
-rxn:4:214804:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2cnccc2N2CCOC(C(=O)N3CCCC3)C2)CC1,QVTKPINLRBSDKI-UHFFFAOYSA-N
-rxn:4:214805:223058,O=S(=O)(C1CC1)N1CCCN(c2ccc(-c3cc(F)nc(C4CCCNC4)c3)cn2)CC1,YXYGOPOTQFHHMI-UHFFFAOYSA-N
-rxn:4:214818:223670,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2cnc(N3CCN(C(=O)C4CCCO4)CC3)c(Cl)c2)CC1,LBMCFBOZVAUTOE-UHFFFAOYSA-N
-rxn:4:214818:223685,O=C(C1CCCO1)N1CCN(c2ncc(-c3ccc(OC(F)(F)F)c(OCc4cccnc4)c3)cc2Cl)CC1,ILGGLIHAHOIJFO-UHFFFAOYSA-N
-rxn:4:214820:226088,CCN(CC)Cc1ccc(-c2cnc(N3CCOC(C(=O)N4CCCC4)C3)c(F)c2)cc1,BEHYMGCBKVJKKP-UHFFFAOYSA-N
-rxn:4:214836:226249,CCCCOc1cc(Cl)cc(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCSCC3)C2)c1,NINFUGWFEQNRPK-UHFFFAOYSA-N
-rxn:4:214837:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cnc(N4CCOC(C(=O)N5CCSCC5)C4)c(Cl)c3)c2Cl)CC1,RTOXNLUKBREMTA-UHFFFAOYSA-N
-rxn:4:214837:223945,O=C(C1CN(c2ncc(-c3ccc(OCCCN4CCOCC4)c(F)c3)cc2Cl)CCO1)N1CCSCC1,MPEMEUBFRCLWCH-UHFFFAOYSA-N
-rxn:4:214838:223558,O=C(OCc1ccccc1)N1CCc2cc(-c3cnc(N4CCOC(C(=O)N5CCOCC5)C4)c(F)c3)ccc2C1,OHMQPXVQLRBBIN-UHFFFAOYSA-N
-rxn:4:214838:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnc(N4CCOC(C(=O)N5CCOCC5)C4)c(F)c3)c(F)c2)CC1,ZWUMVTOUKRZXDV-RZWCHVLBSA-N
-rxn:4:214838:227249,CCCOc1ccc(Cl)c(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)c(F)c2)c1,WIOYLMCVPCMMNP-UHFFFAOYSA-N
-rxn:4:214851:225542,CCCCCc1ccc(-c2cncc(C(=O)N3CCCN(C4CCC4)CC3)c2)c(F)c1F,VPXVYDHUHLZKDB-UHFFFAOYSA-N
-rxn:4:214862:224734,O=C(c1cncc(-c2ccc(C(F)(F)F)cc2OCC2CC2)c1)N1CCCN(C2CCSC2)CC1,ZXHGPQYQQNBDMW-UHFFFAOYSA-N
-rxn:4:214862:226258,CCCOC(=O)c1cccc(-c2cncc(C(=O)N3CCCN(C4CCSC4)CC3)c2)c1,SHUADUMUMTXONN-UHFFFAOYSA-N
-rxn:4:214867:226255,CCCCOc1ccc(Cl)cc1-c1cnc(N2CCOC(C(=O)N3CCCC3)C2)c(C)c1,AXXAVCDHCFAKKO-UHFFFAOYSA-N
-rxn:4:214873:224010,COc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1cnc(N2CCCC(C(=O)N3CCOCC3)C2)c(F)c1,HVEUKDXJQLXRHY-UHFFFAOYSA-N
-rxn:4:214873:226981,CCCCCCc1ccsc1-c1cnc(N2CCCC(C(=O)N3CCOCC3)C2)c(F)c1,OQWUVZRQVURSLH-UHFFFAOYSA-N
-rxn:4:214875:226236,CCCCOc1ncc(C)cc1-c1cnc(N2CCCC(C(=O)N3CCSCC3)C2)c(F)c1,BYGBOTQCMOXAKA-UHFFFAOYSA-N
-rxn:4:214880:227252,CCCOc1cc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)c(C)c2)ccc1Cl,LDEPIQHCTJOEAR-UHFFFAOYSA-N
-rxn:4:215054:222899,CCCCNS(=O)(=O)c1ccc(-c2ncn3c2CCN(C(=O)OC(C)(C)C)C3=O)cc1,BLRZDJIPQZZFJA-UHFFFAOYSA-N
-rxn:4:215059:224167,CN(Cc1ccc(-c2cnn3c2CN(C(=O)OC(C)(C)C)CC3)cc1)C(=O)OC(C)(C)C,YVAOHSLFSBDYQV-UHFFFAOYSA-N
-rxn:4:215143:223845,CN1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2ccccc2S(=O)(=O)N2CCn3nc(C4CC4)cc3C2)CC1,YFWHKCZFAPWCPJ-UHFFFAOYSA-N
-rxn:4:215198:226255,CCCCOc1ccc(Cl)cc1-c1ccc2nc(N3CCOC(C(=O)N4CCOCC4)C3)sc2c1,ASENSURTDVVBIE-UHFFFAOYSA-N
-rxn:4:215232:223139,O=C(C1CCCN(c2ccc3ccc(-c4ccc(C5CCNCC5)nc4)cc3n2)C1)N1CCOCC1,BTCFQGAQJQXWPT-UHFFFAOYSA-N
-rxn:4:215295:224161,CC(C)(C)OC(=O)N1CCC2(CC1)c1ccccc1CCn1c(-c3ccc4c(c3)CN(C(=O)OC(C)(C)C)C4)cnc12,PURKAOYPQVTGRV-UHFFFAOYSA-N
-rxn:4:215295:224719,CC(C)c1nn(C(=O)OC(C)(C)C)cc1-c1cnc2n1CCc1ccccc1C21CCN(C(=O)OC(C)(C)C)CC1,XMRMZIMALZWGPR-UHFFFAOYSA-N
-rxn:4:215663:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3csc(N4CCC(C#N)CC4)n3)c2Cl)CC1,DZJOBNLPCXQNNT-UHFFFAOYSA-N
-rxn:4:215856:223569,CC1CCCN(c2cc(C#N)c(-c3cnc4c(ccn4[Si](C(C)C)(C(C)C)C(C)C)c3F)cn2)C1,GPZVUNCQRQODHV-UHFFFAOYSA-N
-rxn:4:215867:223785,CCN1CCN(CCOc2ccc(-c3cnc(C(=O)N4CCN(C)CC4)c(Cl)c3)cc2Cl)CC1,KAPIKQQQZPGPJA-UHFFFAOYSA-N
-rxn:4:215891:223831,COc1ccc(-c2cc(N3CCN(C)CC3)ccc2[N+](=O)[O-])cc1S(=O)(=O)N1CCC(C)CC1,HSKSYBUVMQYNJE-UHFFFAOYSA-N
-rxn:4:215906:224394,Cc1ccc(-c2cncc(S(=O)(=O)N3CCN(C)CC3)c2)cc1S(=O)(=O)N1CCOCC1,UMAPUIQYZBYMFO-UHFFFAOYSA-N
-rxn:4:215941:223728,CCCCCC1CCC(c2ccc(-c3ccncc3N3CCC(N(C)C)CC3)c(F)c2)CC1,YWRWWUVTZJQDHY-UHFFFAOYSA-N
-rxn:4:215941:223993,Cc1cc(-c2ccncc2N2CCC(N(C)C)CC2)ccc1S(=O)(=O)N1CCN(C)CC1,FNPIWSFMCUAEFP-UHFFFAOYSA-N
-rxn:4:215968:224193,CCN1CCN(Cc2cc(-c3cc(N4CCCCC4C)nc(C4CC4)n3)ccc2F)CC1,UMCSOTYKIFXIRR-UHFFFAOYSA-N
-rxn:4:216055:223506,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cccc(-c3cnc4cnn(CC(F)(F)F)c4c3)c2)CC1,FIOGHNQQTTXVOJ-UHFFFAOYSA-N
-rxn:4:217047:223669,CC1=NN(c2ccc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)nc3)cn2)C(=O)C1,JSEOIWBICZGWSU-UHFFFAOYSA-N
-rxn:4:217172:223696,CC1CCCCN1c1ccnc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc2)n1,LZQRAZQBBMSYCJ-UHFFFAOYSA-N
-rxn:4:217200:223651,Cc1nc(C2CCN(C(=O)OC(C)(C)C)C2)ccc1-c1cnc(N2CCC(F)(F)CC2)c(C)n1,NCLALFPETDJDIM-UHFFFAOYSA-N
-rxn:4:217204:223696,Cc1nc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc2)cc(N2CCC(C)CC2)n1,AHJKJBTXWACUIU-UHFFFAOYSA-N
-rxn:4:217765:223536,Cc1nc(N2CCC2)c2cc(-c3cc(F)c(F)c(N4CCN(C(=O)OC(C)(C)C)CC4)c3)sc2n1,BWWCRNTVFYCMKO-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:4:218589:223493,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:4:218621:229237,CSc1cc(-c2cnc(OC3CCN(S(=O)(=O)CCN4C(=O)CCCC4=O)C3)nc2)cs1,GVRUWCKUHWCTBW-UHFFFAOYSA-N
-rxn:4:218652:225232,CC1CCN(c2cc(-c3cnc(N(C)CC4CCN(C(=O)OC(C)(C)C)CC4)cn3)cnc2Cl)CC1,MIGGSWLTFKZSMX-UHFFFAOYSA-N
-rxn:4:218652:227521,COC(=O)c1cnc(C)c(-c2cnc(N(C)CC3CCN(C(=O)OC(C)(C)C)CC3)cn2)c1,YFJPJFMISWYHIK-UHFFFAOYSA-N
-rxn:4:218698:226572,O=C(C1CC(=O)N(c2ccc(-c3cnc(OC4CCCC4)nc3)cc2)C1)N1CCN(CCc2ccncc2)CC1,BYGWTSFTWMKWQI-UHFFFAOYSA-N
-rxn:4:218704:225984,Cc1cc(Cl)ccc1OCC(=O)N1CCCN(c2cc(-c3ccc(-c4cnc(Cl)c(N5CCOCC5)c4)cc3)n[nH]2)CC1,BSVBSHHLTCGEDF-UHFFFAOYSA-N
-rxn:4:218713:222561,Cc1ccc(S(=O)(=O)N2CCN(C(=O)CC(C)n3nc(C)c(-c4cccc(C(=O)NCc5ccc(F)cc5)c4)c3C)CC2)cc1C,ONLUEHAUYFBJJF-UHFFFAOYSA-N
-rxn:4:218754:223525,CC(C)(C)OC(=O)N1CCC(n2c(=O)c3scc(-c4cccc(C(=O)N5CCN(C(=O)OC(C)(C)C)CC5)c4)c3n(CC#N)c2=O)CC1,AHXCWGPFWPGUBN-UHFFFAOYSA-N
-rxn:4:218768:223061,COc1ccc(CCC(=O)N2Cc3cnc(N4CCOCC4)nc3C2)cc1-c1cc(C2CCNCC2)ncc1F,LBBPSCHZCKUDNY-UHFFFAOYSA-N
-rxn:4:218788:224570,CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C2CCCCC2)c1=NC(=O)c1ccccc1-c1ccc(C(C)N2CCN(C)CC2)cc1,BZAMXKCYTMUENN-UHFFFAOYSA-N
-rxn:4:218867:225312,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3cnc(N4CCCN(C)CC4)nc3)c2)no1,DOOJSXHZMTWQQR-UHFFFAOYSA-N
-rxn:4:218868:223184,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3cnc(N4CCNCC4)nc3)cc2)no1,LTZGMRKVBLVUEJ-UHFFFAOYSA-N
-rxn:4:218868:223294,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3csc(N4CCNCC4)n3)cc2)no1,ZDSWWBGQOLTNBS-UHFFFAOYSA-N
-rxn:4:218868:225312,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3cnc(N4CCCN(C)CC4)nc3)cc2)no1,XBRWKGRJHKSJQV-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:4:218868:226730,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3cnc(OC4CCC4)nc3Cl)cc2)no1,AACLNFSHHNVNFD-UHFFFAOYSA-N
-rxn:4:218878:222723,O=C(c1cncc(-c2cccc(NS(=O)(=O)N3CCOCC3)c2)c1)N1CCC(COc2ncccn2)CC1,PWLSHKAHGFPECM-UHFFFAOYSA-N
-rxn:4:218879:222723,O=C(c1ccccn1)N1CCC(COc2ncc(-c3cccc(NS(=O)(=O)N4CCOCC4)c3)cn2)CC1,AAJXHXXFDKKUTJ-UHFFFAOYSA-N
-rxn:4:218894:222546,N#Cc1cc(-c2ccc(OCCNC3CCCCC3)c(F)c2)cnc1N1CCC(COc2ccncc2Cl)CC1,QXCYYDVGDKWXAT-UHFFFAOYSA-N
-rxn:4:218899:222890,COc1cc(-c2cnc(OC3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)nc2)cc(C2CCCNC2)n1,UMDBGYCSHHXZGS-UHFFFAOYSA-N
-rxn:4:218915:222723,Cc1nc(CN2CCCC(COc3ncc(-c4cccc(NS(=O)(=O)N5CCOCC5)c4)cn3)C2)cs1,LDOYRVRSSRKGCY-UHFFFAOYSA-N
-rxn:4:218917:226364,CC(C)(C)OC(=O)N1CCN(C(=O)c2ncc(-c3ccc(N4CCCCC4)nc3)cn2)CC1,XUAIWAQODQWQFS-UHFFFAOYSA-N
-rxn:4:218963:227916,Cn1ncc(-c2ccc(OC3CC3)cc2)c1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1,ISSGJXOAKUUDAM-UHFFFAOYSA-N
-rxn:4:218971:224672,CCN1CCN(c2ccc(-c3cnc(OCC4CCN(C(=O)c5sc(C)nc5C)CC4)nc3)c(Cl)c2)CC1,UYYJDVJXFAPDLK-UHFFFAOYSA-N
-rxn:4:219002:224759,Cn1cccc(C(=O)N2CCCC(COc3ncc(-c4cc(F)cc(C(=O)N5CCOCC5)c4)cn3)C2)c1=O,WZQABQFUECUABN-UHFFFAOYSA-N
-rxn:4:219011:222483,Cc1ccc(NC(=O)c2ccc(F)c(-c3cnc(N(C)C4CCN(C(=O)OC(C)(C)C)CC4)cn3)c2)c(C)c1,CWHANZXVBSKCTK-UHFFFAOYSA-N
-rxn:4:219028:225357,CCOc1cc(-c2c(C(=O)N3CCN(C(=O)OC(C)(C)C)C(C)C3)cnn2C)c(F)c(C(F)(F)F)c1,HAUCFDNZUVRHMO-UHFFFAOYSA-N
-rxn:4:219029:227987,COc1c(C)ccc(-c2c(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3C)cnn2C)c1C,HDLZEOMFHNFPBR-UHFFFAOYSA-N
-rxn:4:219046:226259,CCCCOc1ccc(-c2cnc(OCC3CCCN(C4CCN(C5CC5)C4=O)C3)nc2)cc1Cl,OCVBNTLCHSCQAU-UHFFFAOYSA-N
-rxn:4:219046:227039,CC(C)(C)Oc1ccc(-c2cnc(OCC3CCCN(C4CCN(C5CC5)C4=O)C3)nc2)cc1,KRWODAYPNWASJU-UHFFFAOYSA-N
-rxn:4:219048:224155,CN1CCN(c2cc(-c3ccc(S(=O)(=O)N4CCC(N(c5ccncn5)C5CC5)CC4)cc3)cc(C3CC3)c2)CC1,JZEXXXGEGAQXFL-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:4:219122:224372,O=C(Cn1cnc2ccccc2c1=O)N1CCC(Oc2ncccc2-c2cc(C(=O)N3CCCC3)cc([N+](=O)[O-])c2)C1,LZUQLCFUAZUJKV-UHFFFAOYSA-N
-rxn:4:219135:225408,COc1ccc(N2C(=O)C3N=NN(Cc4ccc(OC)c(-c5cc6c7c(c5)CCCN7CCC6)c4)C3C2=O)cc1,WZZPGRXWLZRZNG-UHFFFAOYSA-N
-rxn:4:219242:224082,CCC(C(=O)OC(C)(C)C)c1cccc(-c2cnnn2C2CN(C(=O)OC(C)(C)C)C2)c1,KSERAGVKXQYDIW-UHFFFAOYSA-N
-rxn:4:219293:223689,CCN1CCN(S(=O)(=O)c2cc(-c3cccnc3OC3CCN(C(=O)c4ncccn4)C3)ccc2OC)CC1,UPUGUYODEVLHRO-UHFFFAOYSA-N
-rxn:4:219312:223689,CCN1CCN(S(=O)(=O)c2cc(-c3cnc(OCC4CCCN(c5nccs5)C4)nc3)ccc2OC)CC1,BEQCIVYEFLDSBO-UHFFFAOYSA-N
-rxn:4:219314:223689,CCN1CCN(S(=O)(=O)c2cc(-c3cncc(C(=O)N4CC(Cn5ccnc5C)C4)c3)ccc2OC)CC1,BQJUHUIDCGIWOB-UHFFFAOYSA-N
-rxn:4:219315:223689,CCN1CCN(S(=O)(=O)c2cc(-c3cnc(N4CCC(COc5ccc(F)cn5)C4)nc3)ccc2OC)CC1,SYHLCQJSHZMBAZ-UHFFFAOYSA-N
-rxn:4:219343:223694,CCN1CCN(S(=O)(=O)c2cc(-c3cnccc3OC3CCN(c4nnc(C5CC5)s4)C3)c(F)cc2C)CC1,JHKHYKDVPSJBBL-UHFFFAOYSA-N
-rxn:4:219348:223694,CCN1CCN(S(=O)(=O)c2cc(-c3cnccc3OC3CCN(c4nccnc4OC)C3)c(F)cc2C)CC1,SIRZMJXFIKHJKY-UHFFFAOYSA-N
-rxn:4:219371:223948,COC(=O)c1cc(C(=O)OC(C)(C)C)cc(-c2nncn2C2CCN(C(=O)OC(C)(C)C)CC2)c1,RZWWQYHOOLHYFX-UHFFFAOYSA-N
-rxn:4:219383:223776,CC(C)(C)OC(=O)N1CCOc2ccc(-c3cnc(OCC4CCCN(c5ccncc5Cl)C4)nc3)cc2C1,KMRVPYSOUCPZSC-UHFFFAOYSA-N
-rxn:4:219384:222584,Fc1cc(-c2cnc(N3CCC(COc4ccncc4Cl)CC3)nc2)ccc1OCCCN1CCNCC1,KDBINTVPNSJKMY-UHFFFAOYSA-N
-rxn:4:219384:223532,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)cc(-c3cnc(N4CCC(COc5ccncc5Cl)CC4)nc3)c2)CC1,SQTCLFBYMYANLX-UHFFFAOYSA-N
-rxn:4:219388:223054,CC(c1ccc(-c2ccc(C(=O)N3CCCN(S(=O)(=O)c4c[nH]cn4)CC3)o2)s1)N1CCC(O)C1,ZFLBKHRKQVDSOD-UHFFFAOYSA-N
-rxn:4:219388:224750,O=C(c1ccc(-c2ccc(Cl)c(C(=O)N3CCOCC3)c2)o1)N1CCCN(S(=O)(=O)c2c[nH]cn2)CC1,JLNDWHSWUCZBQX-UHFFFAOYSA-N
-rxn:4:219388:224751,O=C(c1ccc(-c2ccc(F)c(C(=O)N3CCOCC3)c2)o1)N1CCCN(S(=O)(=O)c2c[nH]cn2)CC1,YTHPVTQTMQDLOA-UHFFFAOYSA-N
-rxn:4:219388:225943,O=C(c1ccc(-c2ccc(C(=O)N3CCOCC3)s2)o1)N1CCCN(S(=O)(=O)c2c[nH]cn2)CC1,MJYLQMZFIHBECD-UHFFFAOYSA-N
-rxn:4:219407:224718,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3ccc(OCCN4CCOCC4)nc3)cn2)CC1,UHGQDRWCOTVGLV-UHFFFAOYSA-N
-rxn:4:219410:222913,O=S(=O)(NCc1ccc(-c2cnc(OC3CCN(S(=O)(=O)N4CCOCC4)C3)nc2)cc1)C1CC1,FDEOLGZTEAMHLN-UHFFFAOYSA-N
-rxn:4:219431:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccccc1S(=O)(=O)N1CCC(n2cc(C3CC3)nn2)C1,DZCSUWADFXIQEG-UHFFFAOYSA-N
-rxn:4:219498:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)nc2OC)CC1,DQSVMTHUALMCRV-UHFFFAOYSA-N
-rxn:4:219501:222826,CSc1ncc(-c2cccc(S(=O)(=O)N3CCNCC3)c2)c(N2CCOC(C(=O)N3CCOCC3)C2)n1,GUXRQYBDYJYLHT-UHFFFAOYSA-N
-rxn:4:219524:223761,Cc1cc(C)nc(OC2CCCN(C(=O)c3cncc(-c4ccc(C5CCCN5C(=O)OC(C)(C)C)cc4)c3)C2)n1,MXLFJVJCWFHDTD-UHFFFAOYSA-N
-rxn:4:219543:223093,Cc1cc(C)c(C#N)c(N2CCN(S(=O)(=O)c3ccc(-c4cncc(NS(=O)(=O)C(C)C)c4)cc3)CC2)n1,ONIBUYPOCQCJSL-UHFFFAOYSA-N
-rxn:4:219552:223671,COc1nc(N2CCC(C(=O)N3CCC(F)(F)CC3)CC2)ncc1-c1ccnc(N2CCN(C(=O)OC(C)(C)C)CC2)c1,SZBRCBSJONWZCN-UHFFFAOYSA-N
-rxn:4:219627:226474,CN(C)CCOc1cncc(-c2nnc(N3CC4CCC(C3)N4C(=O)OC(C)(C)C)s2)c1,WQPUGQGZBKBKQJ-UHFFFAOYSA-N
-rxn:4:219627:226761,CSc1ccc(-c2nnc(N3CC4CCC(C3)N4C(=O)OC(C)(C)C)s2)c(C(F)(F)F)c1,HXBMUTJEWWPHSB-UHFFFAOYSA-N
-rxn:4:219642:224818,N#Cc1cc2c(nc1N1CCC(Oc3ccncc3-c3ccc(S(=O)(=O)N4CCSCC4)cc3)C1)CCC2,PGHMZNILYQNOEF-UHFFFAOYSA-N
-rxn:4:219653:224668,CCN1CCN(c2cc(F)cc(-c3ccc4nc(N5CCN(C(=O)OC(C)(C)C)CC5)sc4n3)c2)CC1,BRGAFEAHXSLDPO-UHFFFAOYSA-N
-rxn:4:219653:224782,CN1CCN(c2cc(-c3ccc4nc(N5CCN(C(=O)OC(C)(C)C)CC5)sc4n3)cc(F)c2F)CC1,MSSSVBYQZMLSJR-UHFFFAOYSA-N
-rxn:4:219653:225975,CC(C)(C)OC(=O)N1CCN(c2nc3ccc(-c4ccnc(N5CCOCC5)c4Cl)nc3s2)CC1,XFSIGNARVKPMQK-UHFFFAOYSA-N
-rxn:4:219688:224718,CC(C)(C)OC(=O)N1CCC(c2nc3ccc(-c4ccc(OCCN5CCOCC5)nc4)cn3n2)CC1,NMTQFMKWQBTOBD-UHFFFAOYSA-N
-rxn:4:219698:223753,COc1ccc(N2CCn3c2nn(Cc2ccc(-c4ccc(C)c(OCCCN5CCN(C)CC5)c4)cc2)c(=O)c3=O)cc1,RWPQWLWIUZLZCP-UHFFFAOYSA-N
-rxn:4:219716:224738,Cc1cc(N2CC3CN(C(=O)Cc4ccc(-c5cc(OCC6CC6)cc(C(F)(F)F)c5)cc4)CC3C2)ncn1,CMUNTDIVWQSHLM-UHFFFAOYSA-N
-rxn:4:219739:223502,Cc1cccc(-n2c(=O)c3sccc3n(Cc3nc(-c4cccc(-c5ccc(C(=O)N6CCN(C(=O)OC(C)(C)C)CC6)c(F)c5)c4)no3)c2=O)c1,ZBYSKRWUKFWPJQ-UHFFFAOYSA-N
-rxn:4:219764:228171,CCOc1ccc(-c2c(Cl)cc3c(N4CC5CCC(C4)N5C(=O)OC(C)(C)C)nc(F)nc3c2F)cc1F,KRKMEWWKGQHUEK-UHFFFAOYSA-N
-rxn:4:219840:223531,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cnc(N4CCN(CCF)CC4)nc3)cc2Cl)CC1,ITLXNPFDCCPJPH-UHFFFAOYSA-N
-rxn:4:219840:223532,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)cc(-c3cnc(N4CCN(CCF)CC4)nc3)c2)CC1,NZJNMGQLTOGHNF-UHFFFAOYSA-N
-rxn:4:219840:223669,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(N4CCN(CCF)CC4)nc3)cn2)CC1,GNCJCFSHBNFERO-UHFFFAOYSA-N
-rxn:4:219840:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cnc(N4CCN(CCF)CC4)nc3)ccn2)CC1,IXUUKRYABJKBDL-UHFFFAOYSA-N
-rxn:4:219855:223694,CCN1CCN(S(=O)(=O)c2cc(-c3cnccc3OC3CCN(c4nc(C)ns4)C3)c(F)cc2C)CC1,QJYVOMBPQLTRQV-UHFFFAOYSA-N
-rxn:4:219867:223687,CCN1CCN(c2ncc(-c3cnc(N4CCN(C(=O)OC(C)(C)C)CC4)nc3)cc2[N+](=O)[O-])CC1,BZEWUNXKXQLETA-UHFFFAOYSA-N
-rxn:4:219910:223650,Cn1ccnc(N2CCC(Oc3ccncc3-c3ccccc3N3CCN(C(=O)OC(C)(C)C)CC3)C2)c1=O,XENIOXIUGZLDPG-UHFFFAOYSA-N
-rxn:4:219931:225636,CC1CCN(c2cc(-c3cnc(N4CCCN(S(=O)(=O)C5CC5)CC4)nc3)ccn2)CC1,SMBMBOFMYUAJCN-UHFFFAOYSA-N
-rxn:4:219931:226470,CCOC(=O)CCc1cc(-c2cnc(N3CCCN(S(=O)(=O)C4CC4)CC3)nc2)cs1,FYSKHVYFOXKCGG-UHFFFAOYSA-N
-rxn:4:219934:222684,O=C(C1CN(c2ncc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)cn2)CCO1)N1CCCC1,ILFSKYSDIJLGLH-UHFFFAOYSA-N
-rxn:4:219934:225534,CCN(CC)Cc1ccc(-c2cnc(N3CCOC(C(=O)N4CCCC4)C3)nc2)cc1Cl,SKYHIVHIWGKZTG-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:4:219991:225126,CN1C(=O)CN(C2CCN(C(=O)c3cncc(-c4cc(F)ccc4OCC4CCCO4)c3)CC2)C1=O,QALKOEYVWBVSCP-UHFFFAOYSA-N
-rxn:4:220049:223536,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cn(CCN4CCOCC4)c4ncnc(Cl)c34)cc(F)c2F)CC1,FDOKOJBFFQJTHQ-UHFFFAOYSA-N
-rxn:4:220049:223593,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cn(CCN4CCOCC4)c4ncnc(Cl)c34)cc2Cl)CC1,CAXKYBWGAURKCY-UHFFFAOYSA-N
-rxn:4:220049:223595,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cn(CCN4CCOCC4)c4ncnc(Cl)c34)cc2F)CC1,QFIMVLNLICFXIJ-UHFFFAOYSA-N
-rxn:4:220118:223595,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc4nc(OC5CCN(c6ncc(F)cn6)CC5)sc4c3)cc2F)CC1,APBAOAUZBTVTEP-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:4:220191:222584,O=C(C1CN(c2ncc3cc(-c4ccc(OCCCN5CCNCC5)c(F)c4)ccc3n2)CCO1)N1CCCC1,QYTLOWIXLWFZPX-UHFFFAOYSA-N
-rxn:4:220221:225984,CN1CCN(C(=O)c2cc3n(n2)CC(c2ccc(-c4cnc(Cl)c(N5CCOCC5)c4)cc2)OC3)CC1,PPCOZDMPHDOKHO-UHFFFAOYSA-N
-rxn:4:220268:224488,Cc1cc(C)c(C)c(C2=NON3N(C(=O)c4ccccc4-c4ccc(C(=O)N(C(C)C)C(C)C)cc4)c4ccccc4N23)c1C,RPHDPKSIAFKOPF-UHFFFAOYSA-N
-rxn:4:220268:224915,Cc1cc(N2CCCCC2C)ccc1-c1ccccc1C(=O)N1c2ccccc2N2C(c3c(C)c(C)cc(C)c3C)=NON12,YSTQFENDGGIUGW-UHFFFAOYSA-N
-rxn:4:220397:222389,CCN1CCN(c2ncc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)cn2)CC1,BFHKZXCBIPRKLN-UHFFFAOYSA-N
-rxn:4:220414:223540,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1cnc(N2CCN(C)CC2)c([N+](=O)[O-])c1C,JORWHJAQYOYBOL-UHFFFAOYSA-N
-rxn:4:220531:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3cnc(N4CCC(c5noc6cc(F)ccc56)CC4)nc3)c2)CC1,YCDZGOOVJBBEHO-UHFFFAOYSA-N
-rxn:4:220531:223689,CCN1CCN(S(=O)(=O)c2cc(-c3cnc(N4CCC(c5noc6cc(F)ccc56)CC4)nc3)ccc2OC)CC1,ZSTZAJAFMDJJCZ-UHFFFAOYSA-N
-rxn:4:221090:224663,CCOC(=O)c1cnc(N2CCCC2)nc1Cn1cc(-c2ccc(CN3CCN(C)CC3)c(F)c2)cn1,KZFRBIWOUTWBKO-UHFFFAOYSA-N
-rxn:4:221090:224669,CCOC(=O)c1cnc(N2CCCC2)nc1Cn1cc(-c2ccc(CN3CCN(C)CC3)cc2F)cn1,FBOBDYZKPKGLIH-UHFFFAOYSA-N
-rxn:4:221090:224670,CCOC(=O)c1cnc(N2CCCC2)nc1Cn1cc(-c2cc(CN3CCN(C)CC3)ccc2F)cn1,XMVAZGILSUYJON-UHFFFAOYSA-N
-rxn:4:221094:224668,CCN1CCN(c2cc(F)cc(-c3cnn(CC4CN(C(=O)Cn5cnc(C6CC6)cc5=O)C4)c3)c2)CC1,SXLWXAMTWMHDNP-UHFFFAOYSA-N
-rxn:4:221099:225984,Cn1cc(C(=O)N2CCCC(COc3ncc(-c4cnc(Cl)c(N5CCOCC5)c4)cn3)C2)c(C(F)F)n1,LWVBIMWCTBSLER-UHFFFAOYSA-N
-rxn:4:221114:226180,CCOc1ccc(-c2cc(C)nc(C3CCCC3)c2)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N3CCCC3)n2)CC1,NPMZPTHIHZVRHL-UHFFFAOYSA-N
-rxn:4:221121:222833,CC(C)CCC(=O)Nc1cccc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)c1,VKPUBGXUOZHHAO-UHFFFAOYSA-N
-rxn:4:221126:222826,CCOC(=O)C1CCCN(c2nc3c(S(=O)(=O)c4ccc(-c5cccc(S(=O)(=O)N6CCNCC6)c5)cc4)nnn3c3ccsc23)C1,VIBJXQGESRFQPF-UHFFFAOYSA-N
-rxn:4:221126:223998,CCOC(=O)C1CCCN(c2nc3c(S(=O)(=O)c4ccc(-c5ccc(S(=O)(=O)N6CCC(C)CC6)c(F)c5)cc4)nnn3c3ccsc23)C1,YWCPCNQIQHWMEA-UHFFFAOYSA-N
-rxn:4:221127:222538,CCOC(=O)C1CCN(c2nc3c(S(=O)(=O)c4ccc(-c5cc(C6CCCC6)nc(C6CCNCC6)c5)cc4)nnn3c3ccsc23)CC1,LBBWIWONBVMYDQ-UHFFFAOYSA-N
-rxn:4:221147:222723,N#Cc1ccnc(N2CCCC(COc3ncc(-c4cccc(NS(=O)(=O)N5CCOCC5)c4)cn3)C2)c1,BNYBRLMCLARLCN-UHFFFAOYSA-N
-rxn:4:221148:223594,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)cc(-c3cnc(OCC4CCCN(c5ncccc5C#N)C4)nc3)c2)CC1,OVNWACCYKPIGGF-UHFFFAOYSA-N
-rxn:4:221172:222584,Cn1nc(C(=O)N2CCC(COc3ncc(-c4ccc(OCCCN5CCNCC5)c(F)c4)cn3)CC2)ccc1=O,PMTRAZUOPUFTNJ-UHFFFAOYSA-N
-rxn:4:221172:224598,COc1cc(N2CCC(C)CC2)ccc1-c1cnc(OCC2CCN(C(=O)c3ccc(=O)n(C)n3)CC2)nc1,ZVNJDALXEVMBKL-UHFFFAOYSA-N
-rxn:4:221191:223533,Cc1cc(N2CCCC(COc3ncc(-c4ccc(CN5CCN(C(=O)OC(C)(C)C)CC5)cc4F)cn3)C2)nc(C2CC2)n1,GZPHIAQLJDQRDJ-UHFFFAOYSA-N
-rxn:4:221205:223697,O=S(=O)(c1ccc(-c2ccc(CCN3CCN(c4ccnc(N5CCOCC5)n4)CC3)cc2)c(C(F)(F)F)c1)N1CCCCC1,GANIALLXTFKVAB-UHFFFAOYSA-N
-rxn:4:221219:223841,COc1cc2ncnc(N3CC(Cn4cc(-c5cc(S(=O)(=O)N6CCN(C)CC6)c(C)cc5F)cn4)C3)c2cc1OC,ZYJSOESLTYFAAZ-UHFFFAOYSA-N
-rxn:4:221230:223635,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3cnc(OCC4CCCN(c5nc6c(cc5C#N)CCC6)C4)nc3)cc2)CC1,ZCRPRXQJTYGGMW-UHFFFAOYSA-N
-rxn:4:221249:223602,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc4c(-c5ccnc(N6CCN(C(=O)OC(C)(C)C)CC6)c5Cl)cnn4c3)cc2)CC1,DXRHMEFIPZSBSH-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:4:221283:223536,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cnn(CC4CN(c5ncccc5C#N)C4)c3)cc(F)c2F)CC1,MXGRKZRMCCYHFJ-UHFFFAOYSA-N
-rxn:4:221286:223689,CCN1CCN(S(=O)(=O)c2cc(-c3cncc(C(=O)N4CC(Cn5cncn5)C4)c3)ccc2OC)CC1,AAMUXVQJFRPXGE-UHFFFAOYSA-N
-rxn:4:221324:223536,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cnn(CC4CN(c5cc(C6CC6)ncn5)C4)c3)cc(F)c2F)CC1,JPFRXQDNBXICAX-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:4:221345:223689,CCN1CCN(S(=O)(=O)c2cc(-c3cnc(OCC4CCN(c5ncc(Cl)cn5)CC4)nc3)ccc2OC)CC1,HIDBYFNRTOYPIJ-UHFFFAOYSA-N
-rxn:4:221347:223528,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3cnc(OCC4CCN(c5ncc(F)cn5)CC4)nc3)ccc2F)CC1,HQKAXQZVHJYURJ-UHFFFAOYSA-N
-rxn:4:221347:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3cnc(OCC4CCN(c5ncc(F)cn5)CC4)nc3)c2)CC1,OTYRQAVNCHAICI-UHFFFAOYSA-N
-rxn:4:221347:223689,CCN1CCN(S(=O)(=O)c2cc(-c3cnc(OCC4CCN(c5ncc(F)cn5)CC4)nc3)ccc2OC)CC1,AHRBHJUEZRELLN-UHFFFAOYSA-N
-rxn:4:221369:224718,Cn1nc(C(=O)N2CCCC(Oc3ncc(-c4ccc(OCCN5CCOCC5)nc4)cn3)C2)ccc1=O,MMEFORSGKIDLBS-UHFFFAOYSA-N
-rxn:4:221373:224672,CCN1CCN(c2ccc(-c3cnc(OC4CCCN(C(=O)c5c(C)n[nH]c5C)C4)nc3)c(Cl)c2)CC1,MXWLFQPGTPULAQ-UHFFFAOYSA-N
-rxn:4:221382:223775,COc1ccc2c(c1)c(-c1cncc(C(=O)N3CCN(c4ccc(C5CC5)nn4)CC3)c1)cn2C(=O)OC(C)(C)C,USAZXVCSKUZADO-UHFFFAOYSA-N
-rxn:4:221383:223694,CCN1CCN(S(=O)(=O)c2cc(-c3cnc(N4CC(n5nc(-c6ccccc6OC)ccc5=O)C4)nc3)c(F)cc2C)CC1,RKEQPAMGNUGJOX-UHFFFAOYSA-N
-rxn:4:221394:222699,O=c1ccc(C2CC2)nn1CC1CCN(c2ncc(-c3ccc(C4CCCNC4)c(C(F)(F)F)c3)cn2)CC1,BGTBDYNIOCUPKY-UHFFFAOYSA-N
-rxn:4:221398:228446,COc1cc(F)cc(-c2cnc(OC3CCN(C(=O)N4CCN(C)CC4)CC3)nc2)c1Cl,AHEZRDQCARTUDH-UHFFFAOYSA-N
-rxn:4:221405:224830,CN(C)c1cc(N2CCN(Cc3ccccc3-c3cc(C(F)(F)F)nn3C3CCCCO3)CC2)ncn1,FZIXANNEDMWFRI-UHFFFAOYSA-N
-rxn:4:221412:223529,Cc1nc(C)c(C)c(OCC2CCN(c3ncc(-c4ccc(CN5CCN(C(=O)OC(C)(C)C)CC5)c(F)c4)cn3)CC2)n1,QJVFZSDZCHHTEU-UHFFFAOYSA-N
-rxn:4:221412:223945,Cc1nc(C)c(C)c(OCC2CCN(c3ncc(-c4ccc(OCCCN5CCOCC5)c(F)c4)cn3)CC2)n1,JDOQPSMEDUXQNJ-UHFFFAOYSA-N
-rxn:4:221417:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(C(=O)N4CCC(n5nc(-n6nc(C)cc6C)ccc5=O)CC4)o3)c2)CC1,PZSGBVMHGGADGR-UHFFFAOYSA-N
-rxn:4:221419:223505,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCC(Cn5nc(C(C)(C)C)ccc5=O)CC4)nc3)cc2)CC1,HVYAEMRXBYWUBQ-UHFFFAOYSA-N
-rxn:4:221422:223697,O=C(c1cc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2C(F)(F)F)ccc1Cl)N1CCN(c2ccc(N3CCOCC3)nn2)CC1,WONDXSKUBMKMFD-UHFFFAOYSA-N
-rxn:4:221422:225583,O=C(c1cccc(-c2ccc(Cl)c(C(=O)N3CCN(c4ccc(N5CCOCC5)nn4)CC3)c2)c1)N1CCCC1,JGALEBUFOFIZCR-UHFFFAOYSA-N
-rxn:4:221423:222967,CC(C)CNC(=O)c1cccc(-c2ccccc2CN2CCN(c3ccc(N4CCOCC4)nn3)CC2)c1,TUICUJPDDVJBAB-UHFFFAOYSA-N
-rxn:4:221432:224763,Cc1cc(N2CCCC2)nc(N2CCN(C(=O)c3cccc(-c4cc(Cl)ccc4C(=O)N4CCOCC4)c3)CC2)n1,IRXCMWVFYYKLHO-UHFFFAOYSA-N
-rxn:4:221441:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3cccc(CN4CCN(c5nc(C)cc(N6CCOCC6)n5)CC4)c3)c2)CC1,WFIQYLFYDWFNCO-UHFFFAOYSA-N
-rxn:4:221446:222965,CCCC(=O)NCc1ccc(-c2ccc(CN3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)cc1,GDXGVGCUDNLFQN-UHFFFAOYSA-N
-rxn:4:221446:223142,Cc1cc(N2CCOCC2)nc(N2CCN(Cc3ccc(-c4ccc(C5CCCNC5)nc4)cc3)CC2)n1,LGPPPGUJDJQOBW-UHFFFAOYSA-N
-rxn:4:221447:222846,Cc1cc(N2CCN(Cc3ccc(-c4cc(C5CCCNC5)ccc4C#N)cc3)CC2)nc(N2CCOCC2)n1,KCGOANFLSLLFGA-UHFFFAOYSA-N
-rxn:4:221447:223696,Cc1cc(N2CCN(Cc3ccc(-c4ccc(S(=O)(=O)N5CCC6(CC5)OCCO6)cc4)cc3)CC2)nc(N2CCOCC2)n1,LIOORTDYPRYTEI-UHFFFAOYSA-N
-rxn:4:221447:225297,Cc1cc(N2CCN(Cc3ccc(-c4cccc(S(=O)(=O)N5CCCC5)c4)cc3)CC2)nc(N2CCOCC2)n1,GSRGOXQDWRESEK-UHFFFAOYSA-N
-rxn:4:221447:225825,Cc1cc(N2CCN(Cc3ccc(-c4ccc(N5CCN(C)CC5)nc4)cc3)CC2)nc(N2CCOCC2)n1,SYYUSJPLLBDCPE-UHFFFAOYSA-N
-rxn:4:221453:223538,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4ccnc5c4cc(C(F)F)n5S(=O)(=O)c4ccccc4)cc3)CC2)n1,UYLQUOJAWNWLOC-UHFFFAOYSA-N
-rxn:4:221453:224326,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4ccc(S(=O)(=O)N5CCCCC5)c(C)c4)cc3)CC2)n1,FJYUZDSEXNJMMI-UHFFFAOYSA-N
-rxn:4:221453:224753,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4cc(S(=O)(=O)N5CCCC5)ccc4C)cc3)CC2)n1,UBBAWOPEMWCOPJ-UHFFFAOYSA-N
-rxn:4:221456:224649,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(F)ccc4OCC4CCCCO4)cc3)CC2)n1,JJSQIDRSXZCTGQ-UHFFFAOYSA-N
-rxn:4:221498:223660,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3c[nH]c4ncnc(N5CCN(C(=O)OC(C)(C)C)CC5)c34)s2)CC1,HBYDKRNFQSCXSU-UHFFFAOYSA-N
-rxn:4:221498:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3c[nH]c4ncnc(N5CCN(C(=O)OC(C)(C)C)CC5)c34)ccn2)CC1,XZDGBJOBYPXSKK-UHFFFAOYSA-N
-rxn:4:221498:223787,CN1CCN(CCCOc2ccc(-c3c[nH]c4ncnc(N5CCN(C(=O)OC(C)(C)C)CC5)c34)cc2F)CC1,PKHGUGVFQXSRCO-UHFFFAOYSA-N
-rxn:4:221604:223689,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(-n4cnnn4)cc3C(=O)N3CCSCC3)ccc2OC)CC1,IBRVXAMVSNCKGI-UHFFFAOYSA-N
-rxn:4:221605:222439,Cc1nn(Cn2nc(C)c([N+](=O)[O-])c2C)c(C)c1-c1ccc(S(=O)(=O)NC2CCCCC2)cc1C(F)(F)F,ZPFAMTCMQDYHOF-UHFFFAOYSA-N
-rxn:4:221608:223689,CCN1CCN(S(=O)(=O)c2cc(-c3cncc(C(=O)N4CCC(n5ccnn5)CC4)c3)ccc2OC)CC1,CFUBXHHSXHWRJD-UHFFFAOYSA-N
-rxn:4:221609:223689,CCN1CCN(S(=O)(=O)c2cc(-c3cnc(OC4CCN(c5ncc(Cl)cn5)CC4)nc3)ccc2OC)CC1,UFKYFCSBNNXSCO-UHFFFAOYSA-N
-rxn:4:221610:223532,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)cc(-c3cnc(N4CCC(Oc5ncc(Cl)cn5)CC4)nc3)c2)CC1,LWLLBFAXSICCMT-UHFFFAOYSA-N
-rxn:4:221610:223533,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cnc(N4CCC(Oc5ncc(Cl)cn5)CC4)nc3)c(F)c2)CC1,IWIXLZYCQBZQGS-UHFFFAOYSA-N
-rxn:4:221611:223596,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)ccc2-c2cnc(N3CCC(Oc4ncc(F)cn4)CC3)nc2)CC1,ZHGSUQIQWVOZGI-UHFFFAOYSA-N
-rxn:4:221612:223529,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cnc(OC4CCN(c5ncc(F)cn5)CC4)nc3)cc2F)CC1,WJWCVZBALZDKBJ-UHFFFAOYSA-N
-rxn:4:221612:223531,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cnc(OC4CCN(c5ncc(F)cn5)CC4)nc3)cc2Cl)CC1,GLLCELLSDMAPOR-UHFFFAOYSA-N
-rxn:4:221612:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3cnc(OC4CCN(c5ncc(F)cn5)CC4)nc3)c2)CC1,TXKPBOOMNREZOB-UHFFFAOYSA-N
-rxn:4:221612:223689,CCN1CCN(S(=O)(=O)c2cc(-c3cnc(OC4CCN(c5ncc(F)cn5)CC4)nc3)ccc2OC)CC1,PPKJDIYFERCUPS-UHFFFAOYSA-N
-rxn:4:221634:224691,Cc1ccnc(N2CCN(c3ncc(-c4ccc(C(=O)N5CC6(COC6)C5)cc4)cc3C(F)(F)F)CC2)n1,ROMDXROKVPXATI-UHFFFAOYSA-N
-rxn:4:221650:223536,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cnn(CC4CN(c5ncnc6ccsc56)C4)c3)cc(F)c2F)CC1,ICEOLQOCNAISRT-UHFFFAOYSA-N
-rxn:4:221678:223694,CCN1CCN(S(=O)(=O)c2cc(-c3cnc(OC4CCN(c5nc6cnccc6s5)CC4)nc3)c(F)cc2C)CC1,KJUCDCZVRBRJMS-UHFFFAOYSA-N
-rxn:4:221721:223589,Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1cnc(N2CCC(Cn3cnc4ccccc4c3=O)CC2)nc1,WVNRWDXCGRAJMM-UHFFFAOYSA-N
-rxn:4:221726:225324,CC(C)CCn1cc(-c2cnc(N3CCC(N(C)C4=NS(=O)(=O)c5ccccc54)CC3)nc2)c(C(F)(F)F)n1,QKKAGDDYBDNRTD-UHFFFAOYSA-N
-rxn:4:221730:222584,Cc1nc2cc(F)ccc2c(=O)n1CC1CCN(c2ncc(-c3ccc(OCCCN4CCNCC4)c(F)c3)cn2)CC1,XUFJXTDJFIHKPX-UHFFFAOYSA-N
-rxn:4:221730:223649,Cc1nc2cc(F)ccc2c(=O)n1CC1CCN(c2ncc(-c3cccc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)cn2)CC1,WQRCXGFHYCJHHQ-UHFFFAOYSA-N
-rxn:4:221752:222546,CCCn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3ccc(OCCNC4CCCCC4)c(F)c3)cc2)n(C)c1=O,DPGMEAJAKFXJMC-UHFFFAOYSA-N
-rxn:4:221834:223503,CC(C)(C)OC(=O)N1CCC(Oc2cc(F)c(-c3cnc(N4CCC(c5ccc6cccnc6n5)CC4)nc3)c(F)c2)CC1,NOZZWNPMNPWMLH-UHFFFAOYSA-N
-rxn:4:221913:224715,CCCCOc1cc(C(F)(F)F)ccc1-c1cccnc1OC1CCN(C(=O)CSc2nnnn2C)CC1,UJGIBXJJVWJEQX-UHFFFAOYSA-N
-rxn:4:221951:223501,COc1nccnc1N(C)CC1CCN(c2ncc(-c3ccc(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c(Cl)c3)cn2)CC1,FDTULHKGNULFTM-UHFFFAOYSA-N
-rxn:4:221951:223774,COc1nccnc1N(C)CC1CCN(c2ncc(-c3cc4c(OC)cccc4n3C(=O)OC(C)(C)C)cn2)CC1,LAWYVBLKIHWPGY-UHFFFAOYSA-N
-rxn:4:221976:222700,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5cccc(-c6ccc(C(F)(F)F)cc6C6CCCNC6)c5)no4)C3C2=O)cc1,HZZBWEMLKLTRIY-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:4:221980:225898,CC(C)(C)OC(=O)N1CCN(c2cc(=O)n3nc(-c4cncc(-c5cnn(CCN6CCOCC6)c5)c4)sc3n2)CC1,SKURCHDEDHGOQV-UHFFFAOYSA-N
-rxn:4:221980:225977,CC(C)(C)OC(=O)N1CCN(c2cc(=O)n3nc(-c4cncc(-c5cc(Cl)cnc5N5CCOCC5)c4)sc3n2)CC1,QPRUWLZRTIEKML-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:4:221980:225979,CC(C)(C)OC(=O)N1CCN(c2cc(=O)n3nc(-c4cncc(-c5cnc(N6CCOCC6)c(Cl)c5)c4)sc3n2)CC1,VSVWLLAPPJYRSL-UHFFFAOYSA-N
-rxn:4:221980:225980,CC(C)(C)OC(=O)N1CCN(c2cc(=O)n3nc(-c4cncc(-c5cc(N6CCOCC6)ncc5F)c4)sc3n2)CC1,VHJQRKOWLIBNLZ-UHFFFAOYSA-N
-rxn:4:221980:225982,CC(C)(C)OC(=O)N1CCN(c2cc(=O)n3nc(-c4cncc(-c5cnc(N6CCOCC6)cc5F)c4)sc3n2)CC1,BYTNLLJHQNQOCB-UHFFFAOYSA-N
-rxn:4:221980:226691,CC(C)(C)OC(=O)N1CCN(c2cc(=O)n3nc(-c4cncc(-c5cnc(Cl)c(N6CCCC6)c5)c4)sc3n2)CC1,GKIBZRYTUUBZQD-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:4:222045:224391,Cc1ccn(-c2ccc(N3CCN(S(=O)(=O)c4cccc(-c5ccc(S(=O)(=O)N6CCOCC6)cc5C)c4)CC3)nn2)n1,QKGFEEKYGOISIG-UHFFFAOYSA-N
-rxn:4:222053:222629,CCc1cc(N2CCN(c3ncc(-c4cc(C5CCCNC5)nc(C(C)(C)C)c4)cn3)CC2)nc(C(C)(C)C)n1,ZGZWVHOVFYLKJW-UHFFFAOYSA-N
-rxn:4:222054:224323,Cc1cc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCN(C)CC5)nn4)CC3)o2)cc(C)c1S(=O)(=O)N1CCCC1,AZZJFAUREUJPMT-UHFFFAOYSA-N
-rxn:4:222054:226719,CCOC(=O)c1cnc(Cl)c(-c2ccc(C(=O)N3CCN(c4ccc(N5CCN(C)CC5)nn4)CC3)o2)c1,PEWADVOQYLNECF-UHFFFAOYSA-N
-rxn:4:222097:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCC(COc5ccc6nc(C)cn6n5)CC4)nc3)cc2)CC1,WWQDTXVICCWCNV-UHFFFAOYSA-N
-rxn:4:222155:223536,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cnc(N4CCN(c5cc(C6CC6)ncn5)CC4)nc3)cc(F)c2F)CC1,ACIDJMAUBCLHHT-UHFFFAOYSA-N
-rxn:4:222156:223532,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)cc(-c3cnc(N4CCN(c5ncnc(C6CC6)c5F)CC4)nc3)c2)CC1,ZSZZPYICBUODJO-UHFFFAOYSA-N
-rxn:4:222168:223503,CC(C)(C)OC(=O)N1CCC(Oc2cc(F)c(-c3cnc(N4CCN(c5cc(C6CCOCC6)ncn5)CC4)nc3)c(F)c2)CC1,QYCJPUYRUZJGCE-UHFFFAOYSA-N
-rxn:4:222169:224326,Cc1nc(N2CCN(c3ncc(-c4ccc(S(=O)(=O)N5CCCCC5)c(C)c4)cn3)CC2)cc(C(C)(C)C)n1,BUIOMCBTDZAHLX-UHFFFAOYSA-N
-rxn:4:222173:223527,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)ccc2-c2cnn(CC3CN(c4nccn5nccc45)C3)c2)CC1,LTOGPSCYFKCOMR-UHFFFAOYSA-N
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-rxn:4:222213:223531,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cnc(N4CCN(c5ncc(F)cn5)CC4)nc3)cc2Cl)CC1,NSTLGSCOEHMJBV-UHFFFAOYSA-N
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-rxn:4:222289:222522,COc1ccc(-c2cnc(N3CCC(Cn4nc(-n5cccn5)ccc4=O)CC3)nc2)cc1S(=O)(=O)N1CCC(O)CC1,URYMMGLDBBKFJD-UHFFFAOYSA-N
-rxn:4:222289:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3cnc(N4CCC(Cn5nc(-n6cccn6)ccc5=O)CC4)nc3)c2)CC1,ORZAJXWMZJSNMT-UHFFFAOYSA-N
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-rxn:4:222289:223830,CCN1CCN(S(=O)(=O)c2cc(-c3cnc(N4CCC(Cn5nc(-n6cccn6)ccc5=O)CC4)nc3)ccc2C)CC1,LZEUPUJPHMWVLC-UHFFFAOYSA-N
-rxn:4:222303:223694,CCN1CCN(S(=O)(=O)c2cc(-c3cnc(OCC4CCCN(c5ncnc6c5cnn6C)C4)nc3)c(F)cc2C)CC1,CWSMHHAZSBAXNQ-UHFFFAOYSA-N
-rxn:4:222331:223697,O=S(=O)(c1ccc(-c2cnc(N3CCN(c4nccc(N5CCOCC5)n4)CC3)nc2)c(C(F)(F)F)c1)N1CCCCC1,DJOUPSPYRCETJE-UHFFFAOYSA-N
-rxn:4:222334:225264,COC(=O)c1ccc(-c2cnc(N3CCN(c4nc(C)cc(N5CCCC5)n4)CC3)nc2)cc1C(=O)OC,XLBYRJKSZQCVPP-UHFFFAOYSA-N
-rxn:4:222335:224738,Cc1cc(N2CCN(c3ncc(-c4cc(OCC5CC5)cc(C(F)(F)F)c4)cn3)CC2)nc(N2CCCC2)n1,VKAAUPXHSJOPPS-UHFFFAOYSA-N
-rxn:4:222339:226719,CCOC(=O)c1cnc(Cl)c(-c2cncc(N3CCN(c4cc(N5CCN(C)CC5)nc(C)n4)CC3)c2)c1,YUMOYMAQCMCMNW-UHFFFAOYSA-N
-rxn:4:222364:223689,CCN1CCN(S(=O)(=O)c2cc(-c3cnc(N4CCC(Cn5nc(-n6cncn6)ccc5=O)CC4)nc3)ccc2OC)CC1,LUPQKKURLYHXPA-UHFFFAOYSA-N
-rxn:4:222523:176506,CC(C)(C)NS(=O)(=O)c1ccc(-c2cc(F)ccc2CC(=O)C(F)(F)F)c(C(F)(F)F)c1,RWBOMDZGDOBIKG-UHFFFAOYSA-N
-rxn:4:222523:187909,CC(C)N(C(=O)c1ccc2cc(-c3ccc(S(=O)(=O)NC(C)(C)C)cc3C(F)(F)F)ccc2c1)C(C)C,LARLSYJLARPSKR-UHFFFAOYSA-N
-rxn:4:222603:187110,COc1cc(-c2ccc(S(=O)(=O)N(C(C)C)C(C)C)cc2)c(Cl)cc1NC(=O)OC(C)(C)C,HIHUPEYBKJKMDU-UHFFFAOYSA-N
-rxn:4:222613:178287,CCCNS(=O)(=O)c1ccc(-c2c(C)cc(C(=O)OC(C)(C)C)cc2C)c(C(F)(F)F)c1,ILAHHIGOOMPQNI-UHFFFAOYSA-N
-rxn:4:222613:187051,CCCNS(=O)(=O)c1ccc(-c2ccc(F)cc2C(=O)N(C(C)C)C(C)C)c(C(F)(F)F)c1,XAUBPLZJTHFCRM-UHFFFAOYSA-N
-rxn:4:222712:185272,Cc1ccc(CN(C(=O)c2ccc(-c3ccc(NC(=O)OC(C)(C)C)c(F)c3F)cc2)C2CCS(=O)(=O)C2)o1,FXBNUQCKEAHPHF-UHFFFAOYSA-N
-rxn:4:222723:218879,O=C(c1ccccn1)N1CCC(COc2ncc(-c3cccc(NS(=O)(=O)N4CCOCC4)c3)cn2)CC1,AAJXHXXFDKKUTJ-UHFFFAOYSA-N
-rxn:4:222781:184207,CC(=O)c1c(C)oc2ccc(N(C(=O)c3ccccc3Cl)S(=O)(=O)c3ccc(-c4cnc(C)cc4NC(=O)OC(C)(C)C)cc3)cc12,VTMONEYZRIJBBI-UHFFFAOYSA-N
-rxn:4:222811:184765,COC(=O)c1c(-c2cc(Cl)nc(NC(=O)OC(C)(C)C)c2)ccn1C(=O)OC(C)(C)C,FIOXBQAJNIJRBV-UHFFFAOYSA-N
-rxn:4:222880:174528,COc1ccc(C)c(-c2c(C(C)C)cc(C(C)C)cc2C(C)C)c1-c1cc(Cl)ccc1NC(=O)C(C)(C)C,BXRUFGVVMKPXPF-UHFFFAOYSA-N
-rxn:4:222941:184181,CONS(=O)(=O)c1c(C)cc(-c2ccc(CN(C(=O)OC(C)(C)C)C(C)C)c3ccccc23)cc1C,OGXGAKREKOBEOS-UHFFFAOYSA-N
-rxn:4:223093:186751,CC(C)S(=O)(=O)Nc1cncc(-c2ccc(N(C(=O)C(F)(F)F)C3C=CS(=O)(=O)C3)cc2)c1,XVLYHQVMFDMGCP-UHFFFAOYSA-N
-rxn:4:223570:174571,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc4cc(OCC(=O)OC(C)(C)C)ccc4c3)c(F)ncc21,IVCORZXAUMDTKT-UHFFFAOYSA-N
-rxn:4:223570:189716,COC(=O)C1CCC(=O)N1c1ccc(-c2c(F)ncc3c2ccn3[Si](C(C)C)(C(C)C)C(C)C)cc1,QTTUFMCAWGGIIK-UHFFFAOYSA-N
-rxn:4:223580:187352,COC(=O)c1ccc2c(c1)cc(-c1cnc([Si](C(C)C)(C(C)C)C(C)C)s1)n2C(=O)OC(C)(C)C,PDPLPYGGFGAZBL-UHFFFAOYSA-N
-rxn:4:223581:185019,COC(=O)c1cccc2cc(-c3ccc(CC(=O)N(C(C)C)C(C)C)cc3)n(C(=O)OC(C)(C)C)c12,CMPZYNXQSCFHOR-UHFFFAOYSA-N
-rxn:4:223581:188293,COC(=O)c1cccc2cc(-c3cnc(C(F)(F)F)cc3C(=O)C(F)(F)F)n(C(=O)OC(C)(C)C)c12,KJKKNYTWDHOZTO-UHFFFAOYSA-N
-rxn:4:223641:186951,CCc1cc2c(cc1F)cc(-c1cc(/C=N/[S@](=O)C(C)(C)C)ccc1OC)n2C(=O)OC(C)(C)C,VRXCTGHJDVMEDB-DSGZTDDMSA-N
-rxn:4:223900:194538,CC(C)(C)[Si](C)(C)OCCc1ccc(-c2ccc3c(c2)CN(C(=O)C2CCC2)C3)cc1F,AKQRDTPWOXMOBS-UHFFFAOYSA-N
-rxn:5:176860:223056:225976,COC(=O)c1c(-c2ccc(N3CCC(O)CC3)nc2)ccc(OC)c1-c1ccnc(N2CCOCC2)c1F,RPAZTMOPKFJJET-UHFFFAOYSA-N
-rxn:5:177190:223056:226424,CCS(=O)(=O)Cc1ccc(-c2cc(N3CCCC(C)C3)cs2)c(-c2ccc(N3CCC(O)CC3)nc2)c1,ZKCUPYDOJQHDEJ-UHFFFAOYSA-N
-rxn:5:177190:223056:226427,CCS(=O)(=O)Cc1ccc(-c2cc(N3CCC(C)CC3)cs2)c(-c2ccc(N3CCC(O)CC3)nc2)c1,HAWOADLFULQGLM-UHFFFAOYSA-N
-rxn:5:177190:223056:226429,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCCC(C)C3)s2)c(-c2ccc(N3CCC(O)CC3)nc2)c1,ISHHOGBZGNODMZ-UHFFFAOYSA-N
-rxn:5:177190:226654:222992,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCCCC3O)cc2)c(-c2csc(N3CCC(C)CC3)n2)c1,YRBMVNJFUSLJEO-UHFFFAOYSA-N
-rxn:5:177190:226654:223056,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCC(O)CC3)nc2)c(-c2csc(N3CCC(C)CC3)n2)c1,YVWXSTWMKITHPA-UHFFFAOYSA-N
-rxn:5:177190:226654:225640,CCS(=O)(=O)Cc1ccc(-c2ccnc(N3CCCCC3C)c2)c(-c2csc(N3CCC(C)CC3)n2)c1,SKYUIQQBRSEAPH-UHFFFAOYSA-N
-rxn:5:177190:226654:226424,CCS(=O)(=O)Cc1ccc(-c2cc(N3CCCC(C)C3)cs2)c(-c2csc(N3CCC(C)CC3)n2)c1,GZHUWXPPGSKQQA-UHFFFAOYSA-N
-rxn:5:177190:226654:226425,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCCCC3C)s2)c(-c2csc(N3CCC(C)CC3)n2)c1,AROPNHIWMCSENT-UHFFFAOYSA-N
-rxn:5:177190:226654:226426,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCC(C)CC3)s2)c(-c2csc(N3CCC(C)CC3)n2)c1,BSDZROFYDBLBBL-UHFFFAOYSA-N
-rxn:5:177190:226654:226427,CCS(=O)(=O)Cc1ccc(-c2cc(N3CCC(C)CC3)cs2)c(-c2csc(N3CCC(C)CC3)n2)c1,DSSFZVDQOOJAKQ-UHFFFAOYSA-N
-rxn:5:177190:226654:226428,CCS(=O)(=O)Cc1ccc(-c2cc(N3CCCCC3C)cs2)c(-c2csc(N3CCC(C)CC3)n2)c1,CSYGHWTWCKKUEW-UHFFFAOYSA-N
-rxn:5:177731:226663:225976,CC(C)(C)OC(=O)c1ccc(-c2ccnc(N3CCOCC3)c2F)cc1-c1ccc(N2CCSCC2)nc1,DDYKBHAMEBKJJC-UHFFFAOYSA-N
-rxn:5:177733:223056:223064,CC(C)(C)OC(=O)c1cc(-c2ccc(N3CCC(O)CC3)nc2)cc(-c2ccc(C3CCNCC3)nc2F)c1,GLVALXMFGNKWTA-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:5:177735:225931:225925,Cc1cc(-c2cc(C(=O)OC(C)C)cc(C)c2-c2cc(S(=O)(=O)N(C)C)ccc2C)cc(S(=O)(=O)N(C)C)c1,KPIPWQYMKZEMQM-UHFFFAOYSA-N
-rxn:5:177736:225976:223141,CC(C)(C)OC(=O)c1ccc(-c2cncc(C3CCNCC3)c2)c(-c2ccnc(N3CCOCC3)c2F)c1,ZGDBEAAEODXXAY-UHFFFAOYSA-N
-rxn:5:177737:223062:226794,CC(C)(C)OC(=O)c1cc(-c2cnc(N3CCSCC3)nc2)ccc1-c1cnc(C2CCNCC2)cc1F,BWDLCNRZBPNDPA-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:5:178118:222960:227710,Cc1cc(-c2ccc(-c3ccc(OS(C)(=O)=O)cc3)cc2OCC2CCCCO2)cc(C2CCNCC2)c1,VIYPMGYUKNJNBT-UHFFFAOYSA-N
-rxn:5:178118:227710:222959,Cc1cc(-c2ccc(-c3ccc(OS(C)(=O)=O)cc3)c(OCC3CCCCO3)c2)ccc1C1CCNCC1,GKFHZIATNPZBGG-UHFFFAOYSA-N
-rxn:5:178122:227689:225929,Cc1cc(-c2cc(-c3ccc(CC(F)(F)F)nc3)ccc2COC2CCCCO2)ccc1S(=O)(=O)N(C)C,MBXKHUCUFLJUMK-UHFFFAOYSA-N
-rxn:5:178295:225933:223243,COC(=O)C1(c2cc(-c3cc4[nH]ncc4cc3OC)ccc2-c2cc(C3CC3)nc(C(F)(F)F)c2)CCC(=O)CC1,YJYAZFIFDRXNCH-UHFFFAOYSA-N
-rxn:5:178295:225934:223245,COC(=O)C1(c2cc(-c3ccc4[nH]ncc4c3OC)ccc2-c2cnc(C(F)(F)F)c(C3CC3)c2)CCC(=O)CC1,OQLCJQNSEMCOCI-UHFFFAOYSA-N
-rxn:5:178295:226596:227922,CCc1cc(OC)ccc1-c1ccc(-c2ccc(F)c(OC(C)C)c2F)c(C2(C(=O)OC)CCC(=O)CC2)c1,CPMNZXJFXCZEOO-UHFFFAOYSA-N
-rxn:5:178295:226710:227831,CCc1c(C)cc(-c2ccc(-c3ccc(F)c([Si](C)(C)C)c3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc1C,UKYOTZPAWMRCJG-UHFFFAOYSA-N
-rxn:5:178295:226855:227935,CCc1cc(-c2ccc(-c3cnc(OC)cc3C(F)(F)F)c(C3(C(=O)OC)CCC(=O)CC3)c2)ccc1OC,OLJFAKNPXVEAFT-UHFFFAOYSA-N
-rxn:5:178295:226968:227045,COC(=O)C1(c2cc(-c3cccc(SC(C)(C)C)c3)ccc2-c2ccc3c(c2)OC(C)(C)C3)CCC(=O)CC1,VEIXDOZEVRNSDQ-UHFFFAOYSA-N
-rxn:5:178295:227102:228181,COCc1cc(F)ccc1-c1ccc(-c2cc(C(C)(C)C)ccc2F)c(C2(C(=O)OC)CCC(=O)CC2)c1,QRMFHKCBXJUYMP-UHFFFAOYSA-N
-rxn:5:178295:227311:228176,CCC(C)c1cc(F)c(-c2ccc(-c3ccc(COC)c(F)c3)cc2C2(C(=O)OC)CCC(=O)CC2)cn1,IOBHESDVWOAEOO-UHFFFAOYSA-N
-rxn:5:178295:227356:228419,CCOc1cc(F)c(C)cc1-c1ccc(-c2cc(F)c(SC)cc2F)cc1C1(C(=O)OC)CCC(=O)CC1,KDJJUTLDQCBSIC-UHFFFAOYSA-N
-rxn:5:178295:227362:228443,CCOc1cc(C)cc(F)c1-c1ccc(-c2ccc(F)c(SC)c2F)cc1C1(C(=O)OC)CCC(=O)CC1,ULTWEGCOADSNSS-UHFFFAOYSA-N
-rxn:5:178295:227540:227591,COC(=O)C1(c2cc(-c3ccc(C(F)F)cc3OC)ccc2-c2cc(SC)cc(F)c2OC)CCC(=O)CC1,WYJHHKGJUASXHF-UHFFFAOYSA-N
-rxn:5:178295:227560:227525,CCc1cnc(C(F)F)cc1-c1ccc(-c2ccc(OC)c(C(F)F)c2)c(C2(C(=O)OC)CCC(=O)CC2)c1,ROBBGUPFQQTLEW-UHFFFAOYSA-N
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-rxn:5:189212:227278:227408,N#CC1(c2ccc(-c3cc(C(=O)ON4C(=O)CCC4=O)ccc3-c3cc(C4CCC4)ncc3F)cn2)CC1,XFFSXHPFYFXQMR-UHFFFAOYSA-N
-rxn:5:189212:227408:227278,N#CC1(c2ccc(-c3ccc(C(=O)ON4C(=O)CCC4=O)cc3-c3cc(C4CCC4)ncc3F)cn2)CC1,PRWMTPMVEQNYAR-UHFFFAOYSA-N
-rxn:5:189212:228103:225833,CC(C)Cc1ncc(-c2cc(C(=O)ON3C(=O)CCC3=O)ccc2-c2ccnc(N3CCCCC3)c2F)cn1,GKDIDQXOCHPUEM-UHFFFAOYSA-N
-rxn:5:189212:228103:226679,CC(C)Cc1ncc(-c2cc(C(=O)ON3C(=O)CCC3=O)ccc2-c2cnc(N3CCCC3)cc2F)cn1,UWFGHTDDRNCTHB-UHFFFAOYSA-N
-rxn:5:189212:228306:223131,CC(C)Sc1ncc(-c2cc(C(=O)ON3C(=O)CCC3=O)ccc2-c2ccc(N3CCNCC3)cc2)cn1,NVXNKFAOFXHYHV-UHFFFAOYSA-N
-rxn:5:189212:228306:226662,CC(C)Sc1ncc(-c2cc(C(=O)ON3C(=O)CCC3=O)ccc2-c2ccc(N3CCN(C)CC3)s2)cn1,LVFLIWICIUNCSP-UHFFFAOYSA-N
-rxn:5:189212:228586:225833,CC(C)c1ncccc1-c1cc(C(=O)ON2C(=O)CCC2=O)ccc1-c1ccnc(N2CCCCC2)c1F,CCIXYWNXLJRPGS-UHFFFAOYSA-N
-rxn:5:189212:228677:226664,CC(C)Cn1cc(-c2cc(C(=O)ON3C(=O)CCC3=O)ccc2-c2cc(N3CCCC3)ncc2F)cn1,JPKCRXDXGJEHLX-UHFFFAOYSA-N
-rxn:5:189212:228677:226679,CC(C)Cn1cc(-c2cc(C(=O)ON3C(=O)CCC3=O)ccc2-c2cnc(N3CCCC3)cc2F)cn1,UFDZKMJZUQPWOV-UHFFFAOYSA-N
-rxn:5:189212:228877:225603,N#CC1(c2cccc(-c3ccc(C(=O)ON4C(=O)CCC4=O)cc3-c3ccnn3C3CC3F)c2F)CCC1,QDZIKXBAGRQPAX-UHFFFAOYSA-N
-rxn:5:189448:223264:225591,CNC(=O)c1cc(-c2ccc(C(=O)N3CC(OC)C3)cc2-c2cc(CN3CCCC3)ccc2F)ccc1F,BWHCBRKGQRCPLC-UHFFFAOYSA-N
-rxn:5:189538:226040:226587,Cc1c(-c2ccc(C(=O)N(C)C(C)C)cc2-c2cnc(OC3CCC3)cc2F)cc([N+](=O)[O-])cc1[N+](=O)[O-],NQDWQHZNUSIYSS-UHFFFAOYSA-N
-rxn:5:189666:225834:223008,CC(C)(C)[S@@](=O)/N=C/c1ccc(-c2cc(C3CCNCC3)ccc2F)c(-c2cc(N3CCCCC3)ncc2F)c1,PRESHDOITDAMNF-ZXLSJTEJSA-N
-rxn:5:189718:226783:226842,COc1cc(F)c(F)c(OC)c1-c1cc(OC2CCOCC2)c([N+](=O)[O-])cc1-c1cncc(C(=O)C(F)(F)F)c1,LWZRIGZFPKTRJW-UHFFFAOYSA-N
-rxn:5:189908:226662:227297,CN(C)Cc1ccc(F)c(-c2ncc(-c3ccc(N4CCN(C)CC4)s3)cc2OCC2CCCCC2)c1,STJZVDLTGUSDEY-UHFFFAOYSA-N
-rxn:5:189910:226644:225834,Fc1cnc(N2CCCCC2)cc1-c1ccc(-c2cncc(N3CCOCC3)c2)cc1CCN1CCOCC1,GVTJYBFJAOZOSS-UHFFFAOYSA-N
-rxn:5:189952:223062:222417,COc1c(-c2cnc(C3CCNCC3)cc2F)cc(C(=O)N2CCOCC2)cc1-c1cnc(=O)[nH]c1C(C)C,PZOJTMIEHHYBHG-UHFFFAOYSA-N
-rxn:5:189952:225808:228690,CCOc1cncc(-c2cc(C(=O)N3CCOCC3)cc(-c3cc(OC4CCCC4)ncc3F)c2OC)c1,RBAJFFOVZZJKFL-UHFFFAOYSA-N
-rxn:5:189952:225834:228653,COc1c(-c2cc(N3CCCCC3)ncc2F)cc(C(=O)N2CCOCC2)cc1-c1cnn2c1CCCC2,VZTVFUAKMRKPHK-UHFFFAOYSA-N
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-rxn:5:189952:228712:226366,COc1c(-c2ccnc(N3CCCCC3)c2)cc(C(=O)N2CCOCC2)cc1-c1ccnn1C1CCC1,FTLAPMGNXSQSRK-UHFFFAOYSA-N
-rxn:5:190000:223242:226326,N#CC1(c2cccc(-c3ccc(CC(=O)N4CCCCC4)c(-c4ccnc(C5CCNC5)c4)c3)c2F)CC1,KJYDTJNTQVQFNF-UHFFFAOYSA-N
-rxn:5:190001:223242:226326,N#CC1(c2cccc(-c3ccc(CC(=O)N4CCCCC4)cc3-c3ccnc(C4CCNC4)c3)c2F)CC1,WVTPBLFPSMXCJT-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:5:190127:222957:229015,COC1CCN(C(=O)c2cc(-c3cc(C)cc(C4CCCNC4)c3)ccc2-c2ccsc2C(C)C)CC1,WYQJWODLMNHMAW-UHFFFAOYSA-N
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-rxn:5:190132:226907:226901,COC1CCN(C(=O)c2ccc(-c3cccc4c3CCC43CC3)cc2-c2cccc(S(F)(F)(F)(F)F)c2)CC1,BIEHDHOXDWFIGZ-UHFFFAOYSA-N
-rxn:5:190195:223113:225978,CN(Cc1ccc(-c2ccc3c(c2)C(C)(C)C(=O)N3)c(-c2ccc(N3CCOCC3)nc2F)c1)C1CCOCC1,IMVGVVDZOGDJRL-UHFFFAOYSA-N
-rxn:5:190195:225590:222417,CC(C)c1[nH]c(=O)ncc1-c1cc(CN(C)C2CCOCC2)ccc1-c1ccc(CN2CCCC2)c(F)c1,GOFRQDSYHSCSAK-UHFFFAOYSA-N
-rxn:5:190195:226588:223113,CN(Cc1ccc(-c2cc(OC3CCC3)ncc2F)c(-c2ccc3c(c2)C(C)(C)C(=O)N3)c1)C1CCOCC1,QNKLODZEDLHMJV-UHFFFAOYSA-N
-rxn:5:190197:226644:227379,CN(Cc1ccc(-c2cccnc2N2CCCC2)cc1-c1cncc(N2CCOCC2)c1)C1CCOCC1,UCBLBTJEEAJGRI-UHFFFAOYSA-N
-rxn:5:190199:222417:225784,CC(C)c1[nH]c(=O)ncc1-c1ccc(-c2ccc(CN3CCOCC3)nc2)cc1CN(C)C1CCOCC1,GNRCPAVGPBXUHA-UHFFFAOYSA-N
-rxn:5:190201:226571:223113,CC1CN(CCc2cc(-c3cnn(CC4CCOCC4)c3)ccc2-c2ccc3c(c2)C(C)(C)C(=O)N3)CCO1,PHGIUJTZCBDMPV-UHFFFAOYSA-N
-rxn:5:190201:228005:225637,CSc1cc(C)c(-c2ccc(-c3ccccc3N3CCN(C)CC3)c(CCN3CCOC(C)C3)c2)cc1C,BCLYBSNALWDWGQ-UHFFFAOYSA-N
-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:5:190335:228712:227055,COc1ccc(-c2cc(C(=O)N3CCCCC3C)cc(-c3ccnn3C3CCC3)c2OC)cc1C1CC1,QTMJMYYGLUVTJM-UHFFFAOYSA-N
-rxn:5:190336:227552:223202,COc1c(-c2ccc(C3(O)CCC3)cc2)cc(C(=O)N2CCCC(C)C2)cc1-c1ccccc1CC(F)(F)F,NKPUAMCBWPOVFB-UHFFFAOYSA-N
-rxn:5:190404:226176:227403,O=C(c1ccc(-c2ccncc2C2CCCCC2)o1)N1CCSC(c2ccccc2-c2ccc(N3CCCCC3)s2)CC1,LGHHIEXTVPIRBS-UHFFFAOYSA-N
-rxn:5:190484:222993:226321,O=C(c1cccc(-c2cccc(N3CCCCC3O)c2)c1)N1CCC(c2ccccc2-c2ccc(SC3CCCC3)nc2)S(=O)(=O)CC1,WGDHKZRBDFQXCY-UHFFFAOYSA-N
-rxn:5:190484:223164:226414,O=C(c1cccc(-c2cc(F)c(F)c(NC3CC3)c2)c1)N1CCC(c2ccccc2-c2ccc(C3=NCCCO3)cc2)S(=O)(=O)CC1,OULALVGVAVWQHX-UHFFFAOYSA-N
-rxn:5:190740:225833:223064,CCOC(=O)c1cnc2c(C)cc(-c3ccnc(N4CCCCC4)c3F)cc2c1-c1ccc(C2CCNCC2)nc1F,PMWDDMSNUBSPOU-UHFFFAOYSA-N
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-rxn:5:190741:225982:225833,CCOC(=O)c1cnc2c(-c3cnc(N4CCOCC4)cc3F)cc(C)cc2c1-c1ccnc(N2CCCCC2)c1F,GYCASAUTMZKFRS-UHFFFAOYSA-N
-rxn:5:190742:225655:223065,CCOC(=O)c1cnc2c(C)ccc(-c3cncc(N4CCC(C)CC4)c3)c2c1-c1ccc(N2CCNCC2)cc1F,GTCKIJZQOVKNMO-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:5:190742:225834:223061,CCOC(=O)c1cnc2c(C)ccc(-c3cc(N4CCCCC4)ncc3F)c2c1-c1cc(C2CCNCC2)ncc1F,YUQUMZOZEMQCEY-UHFFFAOYSA-N
-rxn:5:190742:225834:225784,CCOC(=O)c1cnc2c(C)ccc(-c3cc(N4CCCCC4)ncc3F)c2c1-c1ccc(CN2CCOCC2)nc1,SUBOOJZGPIGNKA-UHFFFAOYSA-N
-rxn:5:190742:225980:225976,CCOC(=O)c1cnc2c(C)ccc(-c3cc(N4CCOCC4)ncc3F)c2c1-c1ccnc(N2CCOCC2)c1F,VUIKFZXNLLMFMS-UHFFFAOYSA-N
-rxn:5:190744:223061:225833,CCOC(=O)c1cnc2c(-c3cc(C4CCNCC4)ncc3F)c(C)ccc2c1-c1ccnc(N2CCCCC2)c1F,XWFWKXNRXHIUAI-UHFFFAOYSA-N
-rxn:5:190744:225976:225655,CCOC(=O)c1cnc2c(-c3ccnc(N4CCOCC4)c3F)c(C)ccc2c1-c1cncc(N2CCC(C)CC2)c1,VLMNFUGARLCGKZ-UHFFFAOYSA-N
-rxn:5:190744:225976:225656,CCOC(=O)c1cnc2c(-c3ccnc(N4CCOCC4)c3F)c(C)ccc2c1-c1cncc(N2CCCCC2C)c1,CKNXBIBUQIKRDH-UHFFFAOYSA-N
-rxn:5:190796:226709:225832,Cc1cc(C(F)(F)F)cc(C)c1-c1cn(C(=O)OC(C)(C)C)c2cccc(-c3c(C)nn(C4CCCCO4)c3C)c12,XZQLYBJGFIVWTO-UHFFFAOYSA-N
-rxn:5:190797:223189:225823,CC(C)c1cc(-c2cc(-c3ccc(NS(C)(=O)=O)cc3F)cc3c2ccn3C(=O)OC(C)(C)C)cc(C(F)(F)F)c1,GDLVAXFQSGQEKJ-UHFFFAOYSA-N
-rxn:5:190832:225834:223056,CCOC(=O)c1cnc2cc(C)c(-c3cc(N4CCCCC4)ncc3F)c(C)c2c1-c1ccc(N2CCC(O)CC2)nc1,YRGMPQHMOOLAHX-UHFFFAOYSA-N
-rxn:5:190833:227045:228268,CSc1c(-c2ccc(-c3cccc(SC(C)(C)C)c3)c3c2CN(C(=O)OC(C)(C)C)C3=O)ccc(C)c1F,AGUBUPKRYLWEHK-UHFFFAOYSA-N
-rxn:5:190859:226146:228344,CC(C)(C)OC(=O)N1CCc2c1ccc(-c1ccc(SC3CCCC3)cc1)c2-c1ccc(SC(F)F)cc1,GJRXYFYTZOUINK-UHFFFAOYSA-N
-rxn:5:190859:227352:227052,COC(=O)c1ccc(C)cc1-c1ccc2c(c1-c1ccc(SC(C)(C)C)cc1)CCN2C(=O)OC(C)(C)C,OGZFMWPJODVPTO-UHFFFAOYSA-N
-rxn:5:191026:223088:227350,COC(=O)C1=CN(c2ccc(C)c(-c3c(OC)cc(C)cc3OC)c2)c2cc(-c3ccnc4[nH]c(C(F)(F)F)cc34)ccc2S1(=O)=O,YSQMKZXMNKLYTP-UHFFFAOYSA-N
-rxn:5:191026:227810:227673,CCC(C)c1ccc(-c2ccc3c(c2)N(c2ccc(C)c(-c4cccc(C(C)(F)F)c4F)c2)C=C(C(=O)OC)S3(=O)=O)cc1,UFKKYGGAVIYQDX-UHFFFAOYSA-N
-rxn:5:191049:225849:223061,COc1cc(N2Cc3cc(-c4cnc(N5CCCCC5)cc4F)ccc3OCC2=O)c(OC)cc1-c1cc(C2CCNCC2)ncc1F,QOWHTBVKWDUNJB-UHFFFAOYSA-N
-rxn:5:191049:225937:227081,COc1cc(N2Cc3cc(-c4cc(C(F)(F)F)ncc4C(C)C)ccc3OCC2=O)c(OC)cc1-c1ccc(N2CCCC2)cc1,LBLNAFHSAUMLDY-UHFFFAOYSA-N
-rxn:5:191049:227376:225849,COc1cc(N2Cc3cc(-c4cncc(N5CCCC5)c4)ccc3OCC2=O)c(OC)cc1-c1cnc(N2CCCCC2)cc1F,HRGMYSCPYPKRQW-UHFFFAOYSA-N
-rxn:5:191049:227376:227379,COc1cc(N2Cc3cc(-c4cncc(N5CCCC5)c4)ccc3OCC2=O)c(OC)cc1-c1cccnc1N1CCCC1,IJGPFULXDWAXAO-UHFFFAOYSA-N
-rxn:5:193226:223006:226583,O=C(c1ccc(-c2ccc(F)c(C3CCNCC3)c2)c(-c2ccc(CN3CCOCC3)s2)c1)N1CCOCC1,AHPUINUYAILHTE-UHFFFAOYSA-N
-rxn:5:193226:223061:226583,O=C(c1ccc(-c2cc(C3CCNCC3)ncc2F)c(-c2ccc(CN3CCOCC3)s2)c1)N1CCOCC1,OFHDHULNNDOBQE-UHFFFAOYSA-N
-rxn:5:193228:223132:227610,O=C(c1cc(-c2cccc(N3CCNCC3)c2)cc(-c2ccn(C3CCCCO3)n2)c1)N1CCSCC1,RVUJLHDZBXBZKP-UHFFFAOYSA-N
-rxn:5:193228:227376:226583,O=C(c1cc(-c2cncc(N3CCCC3)c2)cc(-c2ccc(CN3CCOCC3)s2)c1)N1CCSCC1,BAMVDXJHJJWKLU-UHFFFAOYSA-N
-rxn:5:193331:225976:225849,Fc1cc(N2CCCCC2)ncc1-c1cc(-c2ccnc(N3CCOCC3)c2F)ccc1CN1CCOCC1,LBGIPDAZUGFKKS-UHFFFAOYSA-N
-rxn:5:193335:226679:225980,Fc1cc(N2CCCC2)ncc1-c1cccc(-c2cc(N3CCOCC3)ncc2F)c1CN1CCOCC1,UCAIDZXAAKVGJK-UHFFFAOYSA-N
-rxn:5:193382:222958:222986,Cc1cc(-c2cc(-c3ccc(C)c(C4CCNCC4)c3)ccc2S(=O)(=O)N2CCOCC2)cc(C2CCCNC2)n1,NRDFAACMQBFSJO-UHFFFAOYSA-N
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-rxn:5:193382:222988:225641,Cc1cc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3ccnc(N4CCCC(C)C4)c3)c2)cc(C2CCNCC2)n1,FCLKQJJXUXLDNZ-UHFFFAOYSA-N
-rxn:5:193382:222996:226415,O=S(=O)(c1ccc(-c2ccc(F)cc2C2CCCNC2)cc1-c1ccccc1N1CCOCC1)N1CCOCC1,QIXJQFGIFHDTEV-UHFFFAOYSA-N
-rxn:5:193382:223000:222959,Cc1cc(-c2cc(-c3ccc(C4CCCNC4)c(F)c3)ccc2S(=O)(=O)N2CCOCC2)ccc1C1CCNCC1,OLKBQZUQEZFYPD-UHFFFAOYSA-N
-rxn:5:193382:223001:222960,Cc1cc(-c2cc(-c3cc(C4CCCNC4)ccc3F)ccc2S(=O)(=O)N2CCOCC2)cc(C2CCNCC2)c1,NLTXLOAQMTVQFE-UHFFFAOYSA-N
-rxn:5:193382:223001:223137,O=S(=O)(c1ccc(-c2cc(C3CCCNC3)ccc2F)cc1-c1cncc(C2CCCNC2)c1)N1CCOCC1,JYRYZECERZIMJK-UHFFFAOYSA-N
-rxn:5:193382:223001:225640,CC1CCCCN1c1cc(-c2cc(-c3cc(C4CCCNC4)ccc3F)ccc2S(=O)(=O)N2CCOCC2)ccn1,ITLMTMDJYRSNBM-UHFFFAOYSA-N
-rxn:5:193382:223001:227437,O=S(=O)(c1ccc(-c2cc(C3CCCNC3)ccc2F)cc1-c1ccnc(C2CCCO2)c1)N1CCOCC1,IFRGBUAHAFONTP-UHFFFAOYSA-N
-rxn:5:193382:223002:225925,Cc1ccc(S(=O)(=O)N(C)C)cc1-c1cc(-c2ccc(C3CCNCC3)cc2F)ccc1S(=O)(=O)N1CCOCC1,ZKFWNOHDVVBKNE-UHFFFAOYSA-N
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-rxn:5:193382:223008:222956,Cc1ccc(-c2cc(-c3cc(C4CCNCC4)ccc3F)ccc2S(=O)(=O)N2CCOCC2)c(C2CCCNC2)c1,WYBYIFKAKJRXHG-UHFFFAOYSA-N
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-rxn:5:193382:227086:225868,O=S(=O)(c1ccc(-c2ccnc(C3CCCC3)c2)cc1-c1ccc(N2CCOCC2)c(F)c1)N1CCOCC1,CICJMZJJHVXJJC-UHFFFAOYSA-N
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-rxn:5:193382:227437:225980,O=S(=O)(c1ccc(-c2ccnc(C3CCCO3)c2)cc1-c1cc(N2CCOCC2)ncc1F)N1CCOCC1,IKORMOHZTWIDJY-UHFFFAOYSA-N
-rxn:5:193382:227437:227656,O=S(=O)(c1ccc(-c2ccnc(C3CCCO3)c2)cc1-c1cc(N2CCOCC2)cs1)N1CCOCC1,BCQKNWZJYGCQPU-UHFFFAOYSA-N
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-rxn:5:193382:228345:223294,COC(=O)c1sc(C)cc1-c1ccc(S(=O)(=O)N2CCOCC2)c(-c2csc(N3CCNCC3)n2)c1,OCENPIQDPBIHEO-UHFFFAOYSA-N
-rxn:5:193382:228872:223063,COC(=O)c1sccc1-c1ccc(S(=O)(=O)N2CCOCC2)c(-c2cc(F)nc(C3CCNCC3)c2)c1,KYEMHGUYKRAPBH-UHFFFAOYSA-N
-rxn:5:193459:227437:225584,O=C(c1cc(-c2ccc(C(=O)N3CCCC3)cc2)cc(-c2ccnc(C3CCCO3)c2)c1)N1CCCCC1,NMSXDPYZHPZIHO-UHFFFAOYSA-N
-rxn:5:193465:222957:222989,Cc1cc(-c2c(C(=O)N3CCC[C@@H]3C)cccc2-c2ccc(N3CCNCC3)cc2C)cc(C2CCCNC2)c1,SGRXYTOUAKUDRM-QBHOUYDASA-N
-rxn:5:193466:225823:225831,Cc1cc(-c2ccc(C(=O)N3CCC[C@H]3C)c(-c3cc(C(C)C)cc(C(F)(F)F)c3)c2)cnc1N1CCOCC1,OJQFFTQAFJLXNZ-JOCHJYFZSA-N
-rxn:5:193467:226140:225639,COc1ccc(C(C)(C)C)cc1-c1ccc(-c2cccnc2N2CCC(C)CC2)cc1C(=O)N1CCC[C@@H]1C,MDSUOXMWNYYZKA-DEOSSOPVSA-N
-rxn:5:193468:225452:226428,CC1CCCCN1c1csc(-c2cccc(-c3ccc(OC4C=CCCC4)cc3)c2C(=O)N2CCC[C@@H]2C)c1,HDEHBRONEWJRFU-WRDKWTGGSA-N
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-rxn:5:193506:223054:223131,CC(c1ccc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3ccc(N4CCNCC4)cc3)c2)s1)N1CCC(O)C1,UBFXOJMATGRPJZ-UHFFFAOYSA-N
-rxn:5:193506:223054:223294,CC(c1ccc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3csc(N4CCNCC4)n3)c2)s1)N1CCC(O)C1,PYENSVHNGDCXHP-UHFFFAOYSA-N
-rxn:5:193506:223131:223054,CC(c1ccc(-c2cc(-c3ccc(N4CCNCC4)cc3)ccc2S(=O)(=O)N2CCC(=O)CC2)s1)N1CCC(O)C1,OHONCDLSIVMWQT-UHFFFAOYSA-N
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-rxn:5:193506:223294:223054,CC(c1ccc(-c2cc(-c3csc(N4CCNCC4)n3)ccc2S(=O)(=O)N2CCC(=O)CC2)s1)N1CCC(O)C1,XPLJVZABBPPEDE-UHFFFAOYSA-N
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-rxn:5:193506:226330:223312,CC(c1ccc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3ccc(C4CNC4)cc3)c2)s1)N1CCCC1,YQYHBKFQZORODB-UHFFFAOYSA-N
-rxn:5:193506:226424:227684,CC1CCCN(c2csc(-c3ccc(S(=O)(=O)N4CCC(=O)CC4)c(-c4cnn(CC5OCCO5)c4)c3)c2)C1,ORRAKLBKHOENEQ-UHFFFAOYSA-N
-rxn:5:193506:226427:227684,CC1CCN(c2csc(-c3ccc(S(=O)(=O)N4CCC(=O)CC4)c(-c4cnn(CC5OCCO5)c4)c3)c2)CC1,FSCFCCHUIJGDGA-UHFFFAOYSA-N
-rxn:5:193506:226654:226654,CC1CCN(c2nc(-c3ccc(S(=O)(=O)N4CCC(=O)CC4)c(-c4csc(N5CCC(C)CC5)n4)c3)cs2)CC1,YPJJJHSYEVPEDD-UHFFFAOYSA-N
-rxn:5:193506:226794:228678,CC(C)Cn1nccc1-c1cc(-c2cnc(N3CCSCC3)nc2)ccc1S(=O)(=O)N1CCC(=O)CC1,NRCRRYUKJYYBED-UHFFFAOYSA-N
-rxn:5:193506:227506:223135,O=C1CCN(S(=O)(=O)c2ccc(-c3cccc(/C=C/[N+](=O)[O-])c3)cc2-c2cccnc2C2CCCNC2)CC1,GCRYVGYDSKIKIM-LICLKQGHSA-N
-rxn:5:193506:227507:223135,O=C1CCN(S(=O)(=O)c2ccc(-c3cccc(C=C[N+](=O)[O-])c3)cc2-c2cccnc2C2CCCNC2)CC1,GCRYVGYDSKIKIM-UHFFFAOYSA-N
-rxn:5:193506:228115:222987,Cc1nc(C2CCNCC2)ccc1-c1cc(-c2ccc(OC(C)C)nc2)ccc1S(=O)(=O)N1CCC(=O)CC1,SVIUQPCVHGWLGT-UHFFFAOYSA-N
-rxn:5:193506:228115:223138,CC(C)Oc1ccc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3ccnc(C4CCNCC4)c3)c2)cn1,FGPFTOUQAZKYDY-UHFFFAOYSA-N
-rxn:5:193506:228125:223138,CC(C)Oc1cc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3ccnc(C4CCNCC4)c3)c2)ccn1,BAZVXHDICZOAGK-UHFFFAOYSA-N
-rxn:5:193506:228306:226645,CC(C)Sc1ncc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3ccnc(N4CCOCC4)c3)c2)cn1,JROFBOPKMJBLQM-UHFFFAOYSA-N
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-rxn:5:193506:228678:226794,CC(C)Cn1nccc1-c1ccc(S(=O)(=O)N2CCC(=O)CC2)c(-c2cnc(N3CCSCC3)nc2)c1,RIDTUYYWPZICOJ-UHFFFAOYSA-N
-rxn:5:193598:228255:225590,COc1c(-c2ccc(-c3ccc(CN4CCCC4)c(F)c3)c(C(=O)N3CCOC(C)C3)c2)ccc(C)c1F,PSDJBUZODDYQLT-UHFFFAOYSA-N
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-rxn:5:193749:225672:227021,CC1CCCCN1C(=O)c1cc(-c2cc(F)nc(C3CCCCC3)c2)ccc1-c1ccc(C2(C#N)CC2)cc1,UCTSDKDUUKBGKE-UHFFFAOYSA-N
-rxn:5:193750:226212:225435,CON=C1CCc2cc(-c3ccc(-c4ccccc4CN4CCCCC4)c(C(=O)N4CCC(C)CC4)c3)ccc21,GPWWXFSLZIHBFD-UHFFFAOYSA-N
-rxn:5:193752:222984:227892,CC1CCCN(C(=O)c2ccc(-c3ccc(CN4CCC(O)C4)cc3)c(-c3ccc(CN(C)C)cc3)c2)C1,GZDXKGYTLGXTSU-UHFFFAOYSA-N
-rxn:5:193756:223136:226366,CC1CCCCN1C(=O)c1ccc(-c2ccncc2C2CCCNC2)cc1-c1ccnc(N2CCCCC2)c1,NRIFBQYXLOWIIW-UHFFFAOYSA-N
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-rxn:5:193756:225641:226664,CC1CCCN(c2cc(-c3ccc(C(=O)N4CCCCC4C)c(-c4cc(N5CCCC5)ncc4F)c3)ccn2)C1,MEOSHEPAYWVIKL-UHFFFAOYSA-N
-rxn:5:193756:225656:226176,CC1CCCCN1C(=O)c1ccc(-c2cncc(N3CCCCC3C)c2)cc1-c1ccncc1C1CCCCC1,YJELPIGUISRABT-UHFFFAOYSA-N
-rxn:5:193756:225674:227702,COC(=O)c1cnc(F)c(-c2cc(-c3cnc(C4CCCCC4)cc3F)ccc2C(=O)N2CCCCC2C)c1,BPOCOKOYKSDHJV-UHFFFAOYSA-N
-rxn:5:193756:225834:226177,CC1CCCCN1C(=O)c1ccc(-c2cc(N3CCCCC3)ncc2F)cc1-c1ccnc(C2CCCCC2)c1,AMAQSSDXGQCEHS-UHFFFAOYSA-N
-rxn:5:193756:226176:227512,COC(=O)c1cc(-c2cc(-c3ccncc3C3CCCCC3)ccc2C(=O)N2CCCCC2C)c(C)cn1,OUEHPDUELOOXOL-UHFFFAOYSA-N
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-rxn:5:193756:226183:226588,CC1CCCCN1C(=O)c1ccc(-c2cnccc2C2CCCCC2)cc1-c1cc(OC2CCC2)ncc1F,MFLNNWHNQNTMNG-UHFFFAOYSA-N
-rxn:5:193756:226366:227387,CC1CCCCN1C(=O)c1ccc(-c2ccnc(N3CCCCC3)c2)cc1-c1ccnc(N2CCCC2)c1,KWCJSBSYUPKBSO-UHFFFAOYSA-N
-rxn:5:193756:226438:227408,CC1CCCCN1C(=O)c1ccc(-c2cnc(C3CCCC3)cc2F)cc1-c1cc(C2CCC2)ncc1F,UDSLALTXWMLZAG-UHFFFAOYSA-N
-rxn:5:193756:226587:226324,CC1CCCCN1C(=O)c1ccc(-c2cnc(OC3CCC3)cc2F)cc1-c1cccnc1OC1CCCC1,HQWHQNKODRPQDM-UHFFFAOYSA-N
-rxn:5:193756:226747:225641,CCc1ncc(-c2ccc(C(=O)N3CCCCC3C)c(-c3ccnc(N4CCCC(C)C4)c3)c2)cc1C(F)(F)F,VBHBIMXYFUBFMB-UHFFFAOYSA-N
-rxn:5:193756:226747:227413,CCc1ncc(-c2ccc(C(=O)N3CCCCC3C)c(-c3cnc(C4CCC4)cc3F)c2)cc1C(F)(F)F,GIVGXEMWOFLQJN-UHFFFAOYSA-N
-rxn:5:193756:226779:226611,CCc1ccc(C(F)(F)F)cc1-c1cc(-c2ccc(C(=O)C(F)(F)F)cc2)ccc1C(=O)N1CCCCC1C,GFKBCXBCCUWVBE-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:5:193756:227025:226842,CCc1ncc(C2CC2)cc1-c1ccc(C(=O)N2CCCCC2C)c(-c2cncc(C(=O)C(F)(F)F)c2)c1,SWEWDMKBNHVUML-UHFFFAOYSA-N
-rxn:5:193756:227086:225641,CC1CCCN(c2cc(-c3cc(-c4ccnc(C5CCCC5)c4)ccc3C(=O)N3CCCCC3C)ccn2)C1,BBCSORKCNLAFQB-UHFFFAOYSA-N
-rxn:5:193756:227512:225653,COC(=O)c1cc(-c2ccc(C(=O)N3CCCCC3C)c(-c3ccc(N4CCCCC4C)nc3)c2)c(C)cn1,YSJXSGTZVCFYMG-UHFFFAOYSA-N
-rxn:5:193756:227512:226779,COC(=O)c1cc(-c2ccc(C(=O)N3CCCCC3C)c(-c3ccc(C(=O)C(F)(F)F)cc3)c2)c(C)cn1,COEYAGLGLKAVOU-UHFFFAOYSA-N
-rxn:5:193756:227521:226779,COC(=O)c1cnc(C)c(-c2ccc(C(=O)N3CCCCC3C)c(-c3ccc(C(=O)C(F)(F)F)cc3)c2)c1,QXALQNNSDKQSTE-UHFFFAOYSA-N
-rxn:5:193866:225886:225395,CC(C)(C)c1cc(-c2cc(C3(N4CCC(=O)CC4)CC3)ccc2-c2ccc3c(ccn3S(C)(=O)=O)c2)cc(C2CC2)c1,HLJBZHWPTGWAHP-UHFFFAOYSA-N
-rxn:5:193866:228501:223272,CNC(=O)c1ccc(-c2cc(C3(N4CCC(=O)CC4)CC3)ccc2-c2cnn(C)c2C(F)(F)F)c(F)c1,YPQUUYIATDALLN-UHFFFAOYSA-N
-rxn:5:193871:226794:226910,CCC(C)(C)c1ccc(-c2ccc(C(=O)N3CCC4(CC3)CC4)cc2-c2cnc(N3CCSCC3)nc2)cc1,DZGDXLQREUVMJV-UHFFFAOYSA-N
-rxn:5:193912:226839:225833,N#Cc1cnc(C(F)(F)F)cc1-c1ccc(N2C(=O)CS(=O)C(c3ccc(-c4ccnc(N5CCCCC5)c4F)cc3)C2=O)cc1,RYOVUMLFKOTENX-UHFFFAOYSA-N
-rxn:5:193912:227185:225623,CN1CCOc2ccc(-c3ccc(N4C(=O)CS(=O)C(c5ccc(-c6cccc(OC7CCOCC7)c6)cc5)C4=O)cc3)cc21,BEYFWPBWVVFOER-UHFFFAOYSA-N
-rxn:5:193932:226772:226946,COC(=O)c1cc(F)c(-c2cc(C(=O)N3CC(C)CC(C)C3)ccc2-c2ccc3c(c2)CCN(C)C3)c(F)c1,AZVHMVAIFGWGSM-UHFFFAOYSA-N
-rxn:5:193932:226872:226588,CC1CC(C)CN(C(=O)c2ccc(-c3cc(OC4CCC4)ncc3F)c(-c3cc(F)ccc3OC(F)(F)F)c2)C1,PBRWAYNWZFHHBW-UHFFFAOYSA-N
-rxn:5:193967:226345:225809,COC(=O)c1cc(-c2ccc(CN3CCC4(CC3)OCCO4)c(-c3cc(F)ccc3OC3CCOC3)c2)c(C)cc1C,OIJVYLXYFXFMQD-UHFFFAOYSA-N
-rxn:5:193967:228132:226047,N#CCc1cccc(-c2ccc(CN3CCC4(CC3)OCCO4)c(-c3ccc(OC(F)(F)F)c(F)c3F)c2)c1F,FGCFCXSZUWERNJ-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:5:193972:227954:227047,Cc1cc(-c2ccc(C3CCC3)nc2)c(S(=O)(=O)N2CCCCCC2)cc1-c1cccc(SC2CCC2)c1,INAMNFXXCZVMQN-UHFFFAOYSA-N
-rxn:5:194058:223054:225683,Cc1nc(C2CCCOC2)ccc1-c1cc2[nH]cc(OS(=O)(=O)[O-])c2cc1-c1ccc(C(C)N2CCC(O)C2)s1,TVXHLIOUCCRPPW-UHFFFAOYSA-M
-rxn:5:194058:223054:225684,Cc1nc(C2CCOCC2)ccc1-c1cc2[nH]cc(OS(=O)(=O)[O-])c2cc1-c1ccc(C(C)N2CCC(O)C2)s1,ACAUBGNNCNVCSV-UHFFFAOYSA-M
-rxn:5:194058:223054:225798,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2ccc(OC3CCOCC3)nc2)s1)N1CCC(O)C1,WCGGHAXYXOSBAJ-UHFFFAOYSA-M
-rxn:5:194058:223054:225831,Cc1cc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2ccc(C(C)N3CCC(O)C3)s2)cnc1N1CCOCC1,QQKNWYMNZJQEAS-UHFFFAOYSA-M
-rxn:5:194058:223054:225976,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2ccnc(N3CCOCC3)c2F)s1)N1CCC(O)C1,SWXQJZCCHJLCGL-UHFFFAOYSA-M
-rxn:5:194058:225639:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc2[nH]cc(OS(=O)(=O)[O-])c2cc1-c1cccnc1N1CCC(C)CC1,IOKFPNRYYHRALP-UHFFFAOYSA-M
-rxn:5:194058:225831:223054,Cc1cc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2ccc(C(C)N3CCC(O)C3)s2)cnc1N1CCOCC1,MSNWKPDFFLVVGK-UHFFFAOYSA-M
-rxn:5:194399:225811:226045,O=C(c1ccc(-c2ccc(C3(C(F)(F)F)CC3)cc2)c(-c2ccc(C(F)(F)C(F)(F)F)nc2)c1)N1CC2CC2C1,JYTJZECQHDJLBX-UHFFFAOYSA-N
-rxn:5:194399:227612:226842,O=C(c1ccc(-c2cnn(C3CCCCO3)c2)c(-c2cncc(C(=O)C(F)(F)F)c2)c1)N1CC2CC2C1,SKBGYHIUQZSDFY-UHFFFAOYSA-N
-rxn:5:194733:228259:226129,COc1cc(C)cc(-c2ccc(-c3cccc(CN4CCCC4)c3)c(C(=O)N3C4CCC3CC(=C3CC3)C4)c2)c1F,RCGUHJUQJZJJQC-UHFFFAOYSA-N
-rxn:5:194767:225849:228653,O=C1OC2(CCCN(C(=O)c3cc(-c4cnc(N5CCCCC5)cc4F)ccc3-c3cnn4c3CCCC4)C2)c2ccccc21,KKOOXDAZEYBXQX-UHFFFAOYSA-N
-rxn:5:194767:227316:227684,CC(C)Cc1cc(-c2ccc(-c3cnn(CC4OCCO4)c3)c(C(=O)N3CCCC4(C3)OC(=O)c3ccccc34)c2)cc(F)n1,VAAPGDRVWDXQBQ-UHFFFAOYSA-N
-rxn:5:194791:227343:226190,COC(=O)c1cc(C)cc(-c2ccccc2N2C(=O)C3C(c4ccc(-c5ccc(C6CCCC6)cc5F)cc4)OC4(C(=O)c5ccccc5C4=O)C3C2=O)c1,KGEKVMUMCQXZLE-UHFFFAOYSA-N
-rxn:5:196789:225834:226679,O=C1COCCN1c1ccc(-c2cc(N3CCCCC3)ncc2F)cc1-c1cnc(N2CCCC2)cc1F,KXDSTANMRLVWGS-UHFFFAOYSA-N
-rxn:5:196792:226047:223143,O=C1COCCN1c1cc(-c2cccc(N3CCC(O)C3)c2)ccc1-c1ccc(OC(F)(F)F)c(F)c1F,DUAFVQSODZGLLU-UHFFFAOYSA-N
-rxn:5:196794:223065:223065,O=C1COCCN1c1cc(-c2ccc(N3CCNCC3)cc2F)ccc1-c1ccc(N2CCNCC2)cc1F,GHCNHWDKSJBOKW-UHFFFAOYSA-N
-rxn:5:196794:225881:225655,CC1CCN(c2cncc(-c3ccc(-c4ccc(C5CCOCC5)nc4F)cc3N3CCOCC3=O)c2)CC1,YROAINZCFCGZAB-UHFFFAOYSA-N
-rxn:5:196873:225832:227611,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(N2CCOCC2)cc1-c1ccnn1C1CCCCO1,NZPWEMNEQDLDMY-UHFFFAOYSA-N
-rxn:5:196918:223002:226068,Cc1cc(C(C)(C)C)cc(C)c1-c1c(-c2ccc(C3CCNCC3)cc2F)cccc1N1CCCCC1=O,PUEVSXQKHJPTIK-UHFFFAOYSA-N
-rxn:5:196970:225472:226686,Cc1cnn(C2CCCCO2)c1-c1nccc(C2CCCCC2)c1-c1cccc(N2CCCCC2C)c1,OBMNQWQBPFVLQN-UHFFFAOYSA-N
-rxn:5:196971:225784:226686,Cc1cnn(C2CCCCO2)c1-c1cc(-c2ccc(CN3CCOCC3)nc2)ncc1C1CCCCC1,ROWMRWWPVVRQCT-UHFFFAOYSA-N
-rxn:5:196977:226452:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(N2CCCCC2)ccc1-c1ccc(C2OCCCO2)cc1,OEGNIWSOUCQNKS-UHFFFAOYSA-N
-rxn:5:197169:222989:225926,Cc1cc(N2CCNCC2)ccc1-c1cc(-c2ccc(S(=O)(=O)N3CCC3)cc2)cc2c1OCC(C#N)=C2,JPAMGSQENMWXOL-UHFFFAOYSA-N
-rxn:5:197169:226686:225926,Cc1cnn(C2CCCCO2)c1-c1cc(-c2ccc(S(=O)(=O)N3CCC3)cc2)cc2c1OCC(C#N)=C2,YTLJPOFDGMVJPC-UHFFFAOYSA-N
-rxn:5:197876:223002:227102,CC(C)(C)c1ccc(F)c(-c2cc3c(cc2-c2ccc(C4CCNCC4)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,AYTLHAONMGKBRF-UHFFFAOYSA-N
-rxn:5:197876:223191:227415,CNS(=O)(=O)c1ccc(-c2cc3c(cc2-c2ccc(C(C)(C)C)nc2F)C(=O)N(C(C)(C)C)S3(=O)=O)cc1F,NZXMXGDVFCXJCE-UHFFFAOYSA-N
-rxn:5:197876:223263:226907,CNC(=O)c1ccc(F)c(-c2cc3c(cc2-c2cccc4c2CCC42CC2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,VKICWARNNJNEJB-UHFFFAOYSA-N
-rxn:5:197876:225453:228606,CCc1ccc(F)c(-c2cc3c(cc2-c2cccc(SC4CCCCC4)c2)S(=O)(=O)N(C(C)(C)C)C3=O)c1,MCHWUXNNXHNKKY-UHFFFAOYSA-N
-rxn:5:197876:225455:228929,Cc1ccc(N2CCCCC2)cc1-c1cc2c(cc1-c1cncc(C(F)F)c1)C(=O)N(C(C)(C)C)S2(=O)=O,BCIFJYRYZJNJSA-UHFFFAOYSA-N
-rxn:5:197876:225499:227677,Cc1ccc(C(F)(F)F)c(-c2cc3c(cc2-c2ccc(C4CCCCC4)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,UIUYJXHKFAQIFN-UHFFFAOYSA-N
-rxn:5:197876:225602:225454,CN1CC=C(c2ccc(-c3cc4c(cc3-c3cc(C5(C#N)CCC5)ccc3F)S(=O)(=O)N(C(C)(C)C)C4=O)cc2)CC1,RDRCJYMCVGFWPD-UHFFFAOYSA-N
-rxn:5:197876:225603:225511,COc1cc(C)c2cc(-c3cc4c(cc3-c3cccc(C5(C#N)CCC5)c3F)S(=O)(=O)N(C(C)(C)C)C4=O)ccc2n1,PLSNQMSCLVVGOL-UHFFFAOYSA-N
-rxn:5:197876:225603:228706,CN(C)c1cc(-c2cc3c(cc2-c2cccc(C4(C#N)CCC4)c2F)S(=O)(=O)N(C(C)(C)C)C3=O)ccn1,LLCKPVOMRVZGOJ-UHFFFAOYSA-N
-rxn:5:197876:225679:226058,CC(C)c1cccc(C(C)C)c1-c1cc2c(cc1-c1ccc(N3CCCCC3)cc1F)S(=O)(=O)N(C(C)(C)C)C2=O,QVYPMCNKCISLQN-UHFFFAOYSA-N
-rxn:5:197876:225706:226068,Cc1cc(C(C)(C)C)cc(C)c1-c1cc2c(cc1-c1cc3ncn(C(C)C)c3cc1F)S(=O)(=O)N(C(C)(C)C)C2=O,GAEVTUSARWSMEG-UHFFFAOYSA-N
-rxn:5:197876:225815:228571,CN(C)c1ccc(-c2cc3c(cc2-c2ccc(C4CC4)cc2C(F)(F)F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1,BUGGYELHNUWEQJ-UHFFFAOYSA-N
-rxn:5:197876:225819:228624,CSc1cc(-c2cc3c(cc2-c2cc(C(F)(F)F)ccc2C2CC2)S(=O)(=O)N(C(C)(C)C)C3=O)ccc1C,QRGSIFZJSYXRCI-UHFFFAOYSA-N
-rxn:5:197876:225820:228589,CC(C)c1ccc(-c2cc3c(cc2-c2c(C4CC4)cccc2C(F)(F)F)S(=O)(=O)N(C(C)(C)C)C3=O)cn1,MWMQLGXQWDRESZ-UHFFFAOYSA-N
-rxn:5:197876:225936:228348,CC(C)c1ncc(C(F)(F)F)cc1-c1cc2c(cc1-c1ccc(N(C)C)nc1F)C(=O)N(C(C)(C)C)S2(=O)=O,FNIGCUTVFRDWIM-UHFFFAOYSA-N
-rxn:5:197876:225936:228510,CC(C)c1ccccc1-c1cc2c(cc1-c1cc(C(F)(F)F)cnc1C(C)C)S(=O)(=O)N(C(C)(C)C)C2=O,KXDFXOXGGPQIEQ-UHFFFAOYSA-N
-rxn:5:197876:225937:228620,CSc1ccc(-c2cc3c(cc2-c2cc(C(F)(F)F)ncc2C(C)C)S(=O)(=O)N(C(C)(C)C)C3=O)cc1C,PSLIRIDXUGAQQF-UHFFFAOYSA-N
-rxn:5:197876:226031:228457,COC(=O)c1ncc(-c2cc3c(cc2-c2ccc(C(F)(F)F)cc2C(F)F)S(=O)(=O)N(C(C)(C)C)C3=O)cn1,IXROASBRFPCNIS-UHFFFAOYSA-N
-rxn:5:197876:226062:228478,CC(C)c1cc(-c2cc3c(cc2-c2cncc(C(F)(F)F)c2)C(=O)N(C(C)(C)C)S3(=O)=O)cc(C(C)C)c1,IFHZMZCAKVNHIE-UHFFFAOYSA-N
-rxn:5:197876:226067:227525,CCc1cnc(C(F)F)cc1-c1cc2c(cc1-c1ccc(C3=CCCCC3)cc1)S(=O)(=O)N(C(C)(C)C)C2=O,MLIWLAAIWJXZEF-UHFFFAOYSA-N
-rxn:5:197876:226189:227826,CC(C)(C)c1cccc(-c2cc3c(cc2-c2ccc(C4CCCC4)c(F)c2)S(=O)(=O)N(C(C)(C)C)C3=O)c1,FZRPBFKWNAZGHJ-UHFFFAOYSA-N
-rxn:5:197876:226190:227050,Cc1cc(-c2cc3c(cc2-c2ccc(C4CCCC4)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)ccc1OC(C)C,QNKZZOPTAHDKEY-UHFFFAOYSA-N
-rxn:5:197876:226190:227949,Cc1cc(-c2cc3c(cc2-c2ccc(C4CCCC4)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc(C)c1C#N,MDNRJMQGBINBPQ-UHFFFAOYSA-N
-rxn:5:197876:226331:227831,CCc1c(C)cc(-c2cc3c(cc2-c2ccc(C4(C#N)CC4)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1C,DFEXUCCDUGLSIH-UHFFFAOYSA-N
-rxn:5:197876:226334:228415,Cc1cc(C(=O)N(C)C)cc(-c2cc3c(cc2-c2cc(F)ccc2C(F)F)C(=O)N(C(C)(C)C)S3(=O)=O)c1,QUFRMTAVRLKWCV-UHFFFAOYSA-N
-rxn:5:197876:226581:228383,Cc1cc(-c2cc3c(cc2-c2cccc(C(=O)N(C)C)c2F)S(=O)(=O)N(C(C)(C)C)C3=O)cnc1C(F)F,RTRGLBBGWJGLOD-UHFFFAOYSA-N
-rxn:5:197876:226589:226320,CC(C)c1cnc(C(F)F)cc1-c1cc2c(cc1-c1cc(C3(C#N)CC3)ccc1F)C(=O)N(C(C)(C)C)S2(=O)=O,HFUHAHMYERLQPX-UHFFFAOYSA-N
-rxn:5:197876:226589:227955,Cc1cnc(C(C)C)c(-c2cc3c(cc2-c2cc(C(F)F)ncc2C(C)C)S(=O)(=O)N(C(C)(C)C)C3=O)c1,UOFJSUSEHLWOBT-UHFFFAOYSA-N
-rxn:5:197876:226589:228394,CC(C)c1cnc(C(F)F)cc1-c1cc2c(cc1-c1ccccc1C(F)(F)F)C(=O)N(C(C)(C)C)S2(=O)=O,YCBKRSVXPXCIKM-UHFFFAOYSA-N
-rxn:5:197876:226596:227828,Cc1c(-c2cc3c(cc2-c2ccc(F)c(OC(C)C)c2F)S(=O)(=O)N(C(C)(C)C)C3=O)cccc1C1CC1,HTDUCFWLSZBETP-UHFFFAOYSA-N
-rxn:5:197876:226603:227910,CCC(C)c1ccc(-c2cc3c(cc2-c2cc(C(=O)OC)cc(F)c2C)S(=O)(=O)N(C(C)(C)C)C3=O)cn1,UVKKMVJVHBIQSK-UHFFFAOYSA-N
-rxn:5:197876:226610:227912,CCc1cc(-c2cc3c(cc2-c2ccc(C(C)OC)cc2)C(=O)N(C(C)(C)C)S3(=O)=O)cc(C(F)(F)F)c1,VWXVJEGQFKDRRJ-UHFFFAOYSA-N
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-rxn:4:178384:228810,CSc1c(Cl)cccc1-c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1,CIJSBZAEKXLRMJ-UHFFFAOYSA-N
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-rxn:4:183273:226619,Cc1nc(N2CCCC2)ncc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,XZEUIEHZKKYHIU-UHFFFAOYSA-N
-rxn:4:183273:229237,CSc1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cs1,RRWQOLYMUNNMBV-UHFFFAOYSA-N
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-rxn:4:183704:223534,CC(C)(C)OC(=O)N1CCC(Oc2cc(-c3ccc(OC[C@@H]4CCCN4C(=O)OC(F)(F)F)c(F)c3)c(F)cn2)CC1,CHJOVOCFMSIJDK-SFHVURJKSA-N
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-rxn:4:183802:223177,CN(Cc1cc(C(F)(F)F)ccc1-c1ccc(CNS(C)(=O)=O)cc1)C(=O)OC(C)(C)C,JYDAFPXIFOLUDE-UHFFFAOYSA-N
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-rxn:4:183837:225808,COC(=O)C1CCN(C(=O)COc2ccc(-c3cc(OC4CCCC4)ncc3F)cc2)CC1,MESIJSHEDIXVSP-UHFFFAOYSA-N
-rxn:4:183885:226649,FC(F)(F)C1CCCN(CCCOc2ccccc2-c2cccnc2N2CCOCC2)C1,SCORVPRAOGSBFJ-UHFFFAOYSA-N
-rxn:4:183890:226794,CC(C)(C)OC(=O)N1CC(COc2c(F)cc(-c3cnc(N4CCSCC4)nc3)cc2F)C1,OCYOQJLFPUYDNG-UHFFFAOYSA-N
-rxn:4:183894:223598,Fc1cc(-c2cccc(F)c2OCCCN2CCC(C(F)(F)F)CC2)ccc1OCCN1CCC2(CC1)OCCO2,IKEWUBMVSIUTHK-UHFFFAOYSA-N
-rxn:4:183915:222588,CC1CCN(CCOc2ccc(OC(F)(F)F)cc2-c2ccc(OCCN3CCC(O)CC3)c(F)c2)CC1,OMRHSMFFLLBQMU-UHFFFAOYSA-N
-rxn:4:183915:224100,CC1CCN(CCOc2ccccc2-c2cc(OC(F)(F)F)ccc2OCCN2CCC(C)CC2)CC1,BONXQNJBOYBERR-UHFFFAOYSA-N
-rxn:4:183915:226541,COC(=O)c1ccc(-c2cc(OC(F)(F)F)ccc2OCCN2CCC(C)CC2)cc1OC,LKBYFDLGPPCNTE-UHFFFAOYSA-N
-rxn:4:183930:226502,Cc1ccc(CN(C(=O)OC(C)(C)C)C2CC2)c(-c2ccn(C(=O)OC(C)(C)C)c2)c1,NWVIEFCRMRLHEF-UHFFFAOYSA-N
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-rxn:4:183966:225803,CC(C)(C)OC(=O)N1CCC(COc2cc(Cl)cc(-c3ccnc(OC4CCOCC4)c3)c2)C1,IEDRDFYEJMNDPG-UHFFFAOYSA-N
-rxn:4:183983:225916,COC(=O)c1cc(OC)c(F)c(-c2ccc(C)c(CN(C(=O)OC(C)(C)C)C(C)C)c2)c1,IYPYILGNCYXNEN-UHFFFAOYSA-N
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-rxn:4:183994:226059,CC(C)c1ccc(-c2ccc(CN(C(=O)OC(C)(C)C)C3CCCC3)cc2)c(C(C)C)c1,MWUGHHRGBRGPMZ-UHFFFAOYSA-N
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-rxn:4:184031:223536,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cc(F)cc(OCC4CCCN(C(=O)OC(C)(C)C)C4)c3)cc(F)c2F)CC1,GOIRUSYLPVDEHX-UHFFFAOYSA-N
-rxn:4:184031:227549,COC(=O)c1cc(Cl)ccc1-c1cc(F)cc(OCC2CCCN(C(=O)OC(C)(C)C)C2)c1,RPLSVWTXSUWBRG-UHFFFAOYSA-N
-rxn:4:184046:223480,COc1cccc(C(=O)N(Cc2cccc(-c3cc(C)c(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c(C)c3)c2)C2CCS(=O)(=O)C2)c1,RIVKATAIEIHLGF-UHFFFAOYSA-N
-rxn:4:184055:222810,COc1cc(-c2cc(NC(=O)OC(C)(C)C)ncc2Cl)ccc1OC1CCN(C(=O)OC(C)(C)C)CC1,NIKGQCSFGZBGBA-UHFFFAOYSA-N
-rxn:4:184068:228551,CCCc1ncccc1-c1ccccc1CCC(=O)N1CC(S(=O)(=O)C2CCCCC2)C1,MFURYVQTYPHBCH-UHFFFAOYSA-N
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-rxn:4:184385:224174,CCN(C(=O)OC(C)(C)C)c1ccc(-c2cc(C#N)cc(C(F)F)c2CC(=O)OC)cc1,UXUUWNXMPVYHSJ-UHFFFAOYSA-N
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-rxn:4:184404:224168,CCN(C(=O)OC(C)(C)C)c1cccc(-c2cc(CC(=O)OC)c(C#N)c(C(F)F)c2)c1,NGYCEZUKQXXXCS-UHFFFAOYSA-N
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-rxn:4:184849:223645,CCOC(=O)C1CCCN(C(=O)c2cccc(-c3ccc(C(=O)OCC(=O)c4ccc(C)cc4)nc3)c2)C1,MTDNHBVYTQSZSI-UHFFFAOYSA-N
-rxn:4:184889:225220,COC(=O)C1CN(Cc2ccc(-c3cnc(N4CCCCC4C)c(Cl)c3)cc2C(F)(F)F)C1,GYQQHRWQLYXRSE-UHFFFAOYSA-N
-rxn:4:184890:222848,CCc1cc(-c2ccc(C(F)(F)F)c(CN3CC(C(=O)OC)C3)c2)cc(C2CCCNC2)n1,GTDLHZACJDKKFB-UHFFFAOYSA-N
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-rxn:4:185004:223581,COC(=O)c1cccc2cc(-c3cc(C(F)(F)F)ccc3OCC(=O)N3CCCCC3)n(C(=O)OC(C)(C)C)c12,CTJZGQORKKJDHN-UHFFFAOYSA-N
-rxn:4:185004:224306,O=C(COc1ccc(C(F)(F)F)cc1-c1ccc(C(F)(F)F)cc1OC1CCCC1)N1CCCCC1,OERWAHIOQHHQLC-UHFFFAOYSA-N
-rxn:4:185004:226133,Cc1c(C#N)cc(C2CC2)cc1-c1cc(C(F)(F)F)ccc1OCC(=O)N1CCCCC1,VVHBRIHMDLYQDO-UHFFFAOYSA-N
-rxn:4:185022:224619,Fc1cc(-c2cccc(F)c2OCCCN2CCCCC2)ccc1OCCN1CCCC1,DRTADTIPDYJCOR-UHFFFAOYSA-N
-rxn:4:185028:224486,CC(C)N(C(=O)c1cccc(-c2ccccc2SC2CN(C(=O)OC(C)(C)C)C2)c1)C(C)C,JVXZDYFWUMIQBQ-UHFFFAOYSA-N
-rxn:4:185055:225665,Fc1cccc(-c2ccc(Cl)cc2N2CCCCC2)c1OCCCN1CCCC(F)(F)C1,ZMQGHJGRYUDBHC-UHFFFAOYSA-N
-rxn:4:185062:226257,CCCCOc1ccc(F)cc1-c1cc(Cl)cc(F)c1OCCN1CCC(C(F)(F)F)CC1,JBJWHPDGDMOAED-UHFFFAOYSA-N
-rxn:4:185094:223559,COc1ccc(C(=O)N(C(C)C)C(C)C)c(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)c1,YRLPWOSJYDFFMW-UHFFFAOYSA-N
-rxn:4:185094:223567,COc1ccc(C(=O)N(C(C)C)C(C)C)c(-c2cc3cc(OC(C)C)ccc3n2C(=O)OC(C)(C)C)c1,SUXGEFCLFJPLTN-UHFFFAOYSA-N
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-rxn:4:185134:224735,COC(=O)C1CCN(CCc2ccc(-c3ccc(C(F)(F)F)c(OCC(C)C)c3)cc2)CC1,ALOUVHWNKRUHPA-UHFFFAOYSA-N
-rxn:4:185135:223958,CCN1CCN(C(=O)c2ccc(-c3ccc(Cl)c(CCN4CCC(C(=O)OC)CC4)c3)cc2F)CC1,SUULGHSFPPGJCS-UHFFFAOYSA-N
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-rxn:4:185143:222980,CC(C)CC(=O)N(c1ccc(-c2ccc(CN3CCNCC3)cc2)cc1)C1C=CS(=O)(=O)C1,RSRWBSCEALZGLN-UHFFFAOYSA-N
-rxn:4:185144:224763,CCOC(=O)C1CCN(S(=O)(=O)c2ccc(-c3cc(Cl)ccc3C(=O)N3CCOCC3)cc2)CC1,RKBFYERQNYYVJY-UHFFFAOYSA-N
-rxn:4:185145:223061,CCOC(=O)C1CCCN(S(=O)(=O)c2ccc(-c3cc(C4CCNCC4)ncc3F)cc2)C1,GIADJVMTIJZFLX-UHFFFAOYSA-N
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-rxn:4:185166:223190,CNS(=O)(=O)c1ccc(F)cc1-c1cc(C2CN(C(=O)OC(C)(C)C)C2)ccc1C(F)(F)F,YKIVWJJMUGLXSX-UHFFFAOYSA-N
-rxn:4:185189:224246,CC1CCN(CCCOc2ccc(-c3ccc(C(=O)N4CCC(C)CC4)c(F)c3)cc2Cl)CC1,JMNYZAYBWGTYIC-UHFFFAOYSA-N
-rxn:4:185200:223832,COC(=O)c1ccc(-c2cc(S(=O)(=O)N3CCC(C)CC3)ccc2OC)c(CN2CCC(OC)CC2)c1,IGWSHHFYIGATHN-UHFFFAOYSA-N
-rxn:4:185242:223918,CCC(CC)C(=O)N1CCCC1c1ccc(-c2cc(C(=O)N(C)C3CCCCC3)ccc2F)cc1,QQWJQYRCUHWCNV-UHFFFAOYSA-N
-rxn:4:185244:222876,CC(C)CN(C(=O)c1cccc(-c2ccc(C(=O)NC(C)(C)C)c(F)c2)c1)C1CCS(=O)(=O)C1,NYFDPVHUAKSAOW-UHFFFAOYSA-N
-rxn:4:185259:224715,CCCCOc1cc(C(F)(F)F)ccc1-c1cc(C(C)C)ccc1OCC(=O)N1CCCCC1,XPQJOOXTJMIYCN-UHFFFAOYSA-N
-rxn:4:185259:225910,CCOc1cc(C(F)(F)F)ccc1-c1cc(C(C)C)ccc1OCC(=O)N1CCCCC1,KPMNYUNYCLWJKY-UHFFFAOYSA-N
-rxn:4:185266:224415,CC(C)CN(C1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(-c2ccnc(C(F)(F)C(F)(F)C(F)(F)F)c2)cc1,GMHIUAJPRZSFAF-UHFFFAOYSA-N
-rxn:4:185266:225302,CC(C)CN(C1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(-c2cc(C(F)(F)F)ncc2C(C)(C)C)cc1,QJUXYQWJLBEQOU-UHFFFAOYSA-N
-rxn:4:185278:222849,N#Cc1cc(-c2cccc(C(=O)N3CCC(S(=O)(=O)Cc4ccco4)CC3)c2)ccc1C1CCNCC1,VCXVMVYVGFMURH-UHFFFAOYSA-N
-rxn:4:185278:222930,O=C(c1cccc(-c2cnc(Cl)c(N3CCCC(O)C3)c2)c1)N1CCC(S(=O)(=O)Cc2ccco2)CC1,YDXRMPNSCUQBMB-UHFFFAOYSA-N
-rxn:4:185284:224421,CC(C)c1cc(C(C)C)c(-c2ccccc2C(=O)N(Cc2ccc(Cl)cc2)C2CCS(=O)(=O)C2)c(C(C)C)c1,WYQUQDFBLVLQBM-UHFFFAOYSA-N
-rxn:4:185289:223557,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3cccc(CN(C(=O)c4ccccc4F)C4CCS(=O)(=O)C4)c3)c(F)ccc21,SBKABOUGGLGVKG-UHFFFAOYSA-N
-rxn:4:185301:222589,Cc1ccc(-c2ccc(OCCN3CCC(O)CC3)c(Cl)c2)cc1OCCCN1CCC(C)CC1,JRAFFXQJWOSFGQ-UHFFFAOYSA-N
-rxn:4:185302:223184,CCN(C1CCCCC1)S(=O)(=O)c1cc(-c2cnc(N3CCNCC3)nc2)ccc1OC,KYZRSCLIYFYOFC-UHFFFAOYSA-N
-rxn:4:185307:224128,CCCOc1cc(S(=O)(=O)N2CCCC(C)C2)ccc1-c1ccc(C(=O)N(C)C2CCCCC2)cc1,CNIHIOPFTIBPMO-UHFFFAOYSA-N
-rxn:4:185309:223883,CC(C)(C)OC(=O)N1CCC(Oc2cccc(-c3ccc4c(c3)CCCN4C(=O)OC(C)(C)C)c2)CC1,XCAJDZCKKYTLGW-UHFFFAOYSA-N
-rxn:4:185309:223930,Cc1cc2c(cnn2C(=O)OC(C)(C)C)cc1-c1cccc(OC2CCN(C(=O)OC(C)(C)C)CC2)c1,ISIQYFZJZYSKDV-UHFFFAOYSA-N
-rxn:4:185309:224653,CC(C)(C)OC(=O)N1CCC(Oc2cccc(-c3ccc(Cl)cc3OCC3CCCCO3)c2)CC1,QESOLJZKVUKLHT-UHFFFAOYSA-N
-rxn:4:185315:224962,CC(C)(C)OC(=O)N1CC(c2cc(-c3ccccc3COC3CCOCC3)ccc2C2CC2)C1,IGEKCSBAOJCVEC-UHFFFAOYSA-N
-rxn:4:185323:223902,CC1CCN(CCOc2ccc(-c3ccc(OC4CCN(C(=O)OC(C)(C)C)CC4)c(F)c3)cc2F)CC1,ALMKJOJDSMKFET-UHFFFAOYSA-N
-rxn:4:185345:222545,CC(C)S(=O)(=O)c1oc(-c2ccc(F)cc2)nc1S(=O)(=O)c1ccc(-c2ccc(C(C)(C)NC(=O)OC(C)(C)C)cc2)cc1,LQRRQNJBAHEUOX-UHFFFAOYSA-N
-rxn:4:185348:223001,CCCOc1cc(S(=O)(=O)N2CC(C)OC(C)C2)ccc1-c1cc(C2CCCNC2)ccc1F,NJISPMASQLRHIR-UHFFFAOYSA-N
-rxn:4:185348:223841,CCCOc1cc(S(=O)(=O)N2CC(C)OC(C)C2)ccc1-c1cc(S(=O)(=O)N2CCN(C)CC2)c(C)cc1F,IOILJLJIRXRTSJ-UHFFFAOYSA-N
-rxn:4:185375:224003,CC(C)CS(=O)(=O)C1CCN(S(=O)(=O)c2ccccc2-c2cnc(Cl)c(-c3cccc(C(F)(F)F)c3)c2)CC1,QZSCMWVHOODHPV-UHFFFAOYSA-N
-rxn:4:185382:224719,CC(C)c1nn(C(=O)OC(C)(C)C)cc1-c1ccc(C(F)(F)F)c(C2CCN(C(=O)OC(C)(C)C)CC2)c1,HXDMHLKQBGVCCK-UHFFFAOYSA-N
-rxn:4:185408:222948,CC(C)(C)OC(=O)N1CCC(c2cc(-c3cnc(N4CCC(O)CC4)nc3Cl)ccc2C2CC2)C1,UQFYVUDXGGDRKK-UHFFFAOYSA-N
-rxn:4:185408:226021,CC(C)(C)OC(=O)N1CCC(c2cc(-c3cc(Cl)ccc3OCC(F)(F)F)ccc2C2CC2)C1,UUPYAVPASOHOOB-UHFFFAOYSA-N
-rxn:4:185415:224982,O=C(CC1CCCCC1)N(c1ccc(-c2ccc(C3CC3)c(-n3ccnc3)c2)cc1)C1C=CS(=O)(=O)C1,OCPJWUNHAYRANF-UHFFFAOYSA-N
-rxn:4:185415:225124,O=C(CC1CCCCC1)N(c1ccc(-c2ccnc(OCC3CCOCC3)c2)cc1)C1C=CS(=O)(=O)C1,NMAWEEJZVXFONB-UHFFFAOYSA-N
-rxn:4:185415:225798,O=C(CC1CCCCC1)N(c1ccc(-c2ccc(OC3CCOCC3)nc2)cc1)C1C=CS(=O)(=O)C1,IRALPALEIWESKW-UHFFFAOYSA-N
-rxn:4:185415:226590,O=C(CC1CCCCC1)N(c1ccc(-c2ccc(OC3CCOC3)nc2)cc1)C1C=CS(=O)(=O)C1,AOQJMVKSVZPGGG-UHFFFAOYSA-N
-rxn:4:185423:225767,CC(C)COc1c(F)cc(-c2cc(C3CC3)cc(C3CN(C(=O)OC(C)(C)C)CCO3)c2)cc1F,GVSKVWPZZXGHLD-UHFFFAOYSA-N
-rxn:4:185428:225758,CC1CCN(C(=O)COc2ccc(C(C)(C)C)cc2-c2ccncc2C(=O)OC(C)(C)C)CC1,WLHHZPRDDLTPRR-UHFFFAOYSA-N
-rxn:4:185438:223001,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3cc(C4CCCNC4)ccc3F)cc2)CC1,OUSJTZKMBYPQIQ-UHFFFAOYSA-N
-rxn:4:185440:224771,Cc1ccc(-c2ccc(S(=O)(=O)N3CCC(O[Si](C)(C)C(C)(C)C)CC3)cc2F)cc1S(=O)(=O)N1CCCC1,QEGINRIVWOQBII-UHFFFAOYSA-N
-rxn:4:185465:222545,COC(=O)c1cc2sc(-c3ccc(C(C)(C)NC(=O)OC(C)(C)C)cc3)cc2n1C(=O)OC(C)(C)C,ILXOIQACMVIJGX-UHFFFAOYSA-N
-rxn:4:185509:223180,CONC(=O)c1ccc(-c2cc3c(cc2C(=O)OC)N(C(=O)OC(C)(C)C)CC3)cc1F,UYAMXDFBIKHUTL-UHFFFAOYSA-N
-rxn:4:185509:223998,COC(=O)c1cc2c(cc1-c1ccc(S(=O)(=O)N3CCC(C)CC3)c(F)c1)CCN2C(=O)OC(C)(C)C,XSTPYXLKYCJDNU-UHFFFAOYSA-N
-rxn:4:185874:223899,COC(=O)c1cc(C#N)c(C(F)F)c(-c2ccc(C(=O)N(C(C)C)C(C)C)cc2OC)c1,WVLWGOGVRINVOX-UHFFFAOYSA-N
-rxn:4:186713:223902,CC1CCN(CCOc2ccc(-c3ccc(OCC(=O)N4CCCC4)c(F)c3)cc2F)CC1,VCRVIVFTMUVGFN-UHFFFAOYSA-N
-rxn:4:186976:224593,CC1CCN(Cc2cc(-c3ccc(OCCN4CCC(=O)CC4)c(Cl)c3)ccc2F)CC1,FBCCJCCKNZUUCM-UHFFFAOYSA-N
-rxn:4:186981:224462,CCC(=O)N(c1ccc(-c2ccc(C3CCN(C4CC4)CC3)cc2)cc1)C1C=CS(=O)(=O)C1,VHTHJXRGEOMRTF-UHFFFAOYSA-N
-rxn:4:187000:223506,COC(=O)C1CCN(S(=O)(=O)c2ccc(-c3cccc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c3)cc2)C1,AGVHVQLDYZTLMZ-UHFFFAOYSA-N
-rxn:4:187000:224128,COC(=O)C1CCN(S(=O)(=O)c2ccc(-c3ccc(C(=O)N(C)C4CCCCC4)cc3)cc2)C1,HXFNTCUULRPNQS-UHFFFAOYSA-N
-rxn:4:187000:224953,COC(=O)C1CCN(S(=O)(=O)c2ccc(-c3ccc(OCC4CCCCC4)nc3)cc2)C1,FBOYFHMJBLQDIP-UHFFFAOYSA-N
-rxn:4:187011:222845,CC(c1ccc(-c2ccc(CN3CC[C@H](OS(C)(=O)=O)C3=O)c(F)c2)cc1)N1CCNCC1,GAQBJRQWVDOYRU-VXLWULRPSA-N
-rxn:4:187048:223884,CCN(C(=O)c1cc(-c2ccc3c(c2)CCN(C(=O)OC(C)(C)C)C3)ccc1C)C(C)C,STZVHKFMTNLKEG-UHFFFAOYSA-N
-rxn:4:187068:224616,COC(=O)c1cc(-c2ccccc2OCCN2CCOCC2)ccc1CN1CCOCC1,LWQSOTPPLQOHLD-UHFFFAOYSA-N
-rxn:4:187074:223970,COC(=O)c1ccc(-c2ccc(C)c(S(=O)(=O)N3CCC(C)CC3)c2)cc1CN1CCOCC1,YFXRHEUGVWMRCP-UHFFFAOYSA-N
-rxn:4:187121:223818,CCN(C(=O)c1ccc(-c2c(F)cc(F)c3c2ccn3C(=O)OC(C)(C)C)cc1)C1CCS(=O)(=O)C1,HFBIXNXXJZZZLN-UHFFFAOYSA-N
-rxn:4:187185:224486,COC(=O)C1(C)CCN(Cc2ccc(-c3cccc(C(=O)N(C(C)C)C(C)C)c3)cc2)C1,YNPJPTSCBDTCSA-UHFFFAOYSA-N
-rxn:4:187197:224323,COC(=O)c1ccc(-c2cc(C)c(S(=O)(=O)N3CCCC3)c(C)c2)cc1CN1CCCCC1,VHSMUUOECAZDPX-UHFFFAOYSA-N
-rxn:4:187205:224361,CCN(CC)S(=O)(=O)c1cc(-c2ccc(Cl)cc2C2CN(C(=O)OC(C)(C)C)C2)ccc1OC,MEVXGXIXJBQJPS-UHFFFAOYSA-N
-rxn:4:187205:224653,CC(C)(C)OC(=O)N1CC(c2cc(Cl)ccc2-c2ccc(Cl)cc2OCC2CCCCO2)C1,RNIJADXSCSASIO-UHFFFAOYSA-N
-rxn:4:187212:224162,CC(C)(C)OC(=O)N1CC(c2ccc(-c3ccc4c(c3)N(C(=O)OC(C)(C)C)CC4)c(F)c2)C1,WRZOGEOSKMYCBV-UHFFFAOYSA-N
-rxn:4:187221:222725,CCNS(=O)(=O)c1ccc(-c2cc(F)ccc2C2CN(C(=O)OC(C)(C)C)C2)c(C(F)(F)F)c1,KMQSJPOHZZYZBJ-UHFFFAOYSA-N
-rxn:4:187226:225374,COc1cc(OC(F)(F)F)cc(-c2ccc(N(C(=O)C(C)C)C3C=CS(=O)(=O)C3)cc2)c1F,XSRPWCUFDPVXNU-UHFFFAOYSA-N
-rxn:4:187230:224986,COC(=O)C1CCN(S(=O)(=O)c2ccccc2-c2ccc(N3CCCCC3)cc2C#N)CC1,AMSBBPKDKBFFGC-UHFFFAOYSA-N
-rxn:4:187230:225640,COC(=O)C1CCN(S(=O)(=O)c2ccccc2-c2ccnc(N3CCCCC3C)c2)CC1,IZAGHAZDLVDSFO-UHFFFAOYSA-N
-rxn:4:187286:222545,Cc1ccc(-c2ccc(C(C)(C)NC(=O)OC(C)(C)C)cc2)c(C(=O)N(C(C)C)C(C)C)c1,APPVAXQHKUGPCZ-UHFFFAOYSA-N
-rxn:4:187287:222647,Cc1cc(-c2c(C)cccc2C(=O)N(C(C)C)C(C)C)c(C)cc1NC(=O)OC(C)(C)C,IYOKGVIHGLUMMT-UHFFFAOYSA-N
-rxn:4:187297:224247,COC1CCN(CCc2ccc(-c3ccc(C(=O)N4CCC(C)CC4)cc3F)cc2)CC1,RBFQHIRRKUOWCL-UHFFFAOYSA-N
-rxn:4:187311:225348,COC(=O)c1ccc(C(F)(F)F)cc1-c1cc(Cl)cc(F)c1OCCN1CCCC(C)C1,KJOWAXSLJIKYKC-UHFFFAOYSA-N
-rxn:4:187318:224254,COC(=O)c1ccc(-c2ccc(F)c(C(=O)N3CCCC(C)C3)c2)c(CN2CCOC(C)C2)c1,BAYZCRQUJBGKQZ-UHFFFAOYSA-N
-rxn:4:187318:224490,COC(=O)c1ccc(-c2ccccc2OCCN2CCCCC2)c(CN2CCOC(C)C2)c1,HZMIPAPKFRKJLB-UHFFFAOYSA-N
-rxn:4:187323:225264,COC(=O)c1ccc(-c2ccc(CN3CCC(C)CC3)c(OC(F)(F)F)c2)cc1C(=O)OC,DKRXUDWQIJXAMU-UHFFFAOYSA-N
-rxn:4:187323:225740,CCCOc1c(Cl)cc(-c2ccc(CN3CCC(C)CC3)c(OC(F)(F)F)c2)cc1OC,XZFNCGGFEYRMTP-UHFFFAOYSA-N
-rxn:4:187374:222998,CC1CCN(C(=O)CS(=O)(=O)c2cccc(-c3cc(F)cc(C4CCCNC4)c3)c2)CC1,PJLJAAPJUYUFRT-UHFFFAOYSA-N
-rxn:4:187375:223007,CC1CCCN(C(=O)CS(=O)(=O)c2cccc(-c3cc(F)cc(C4CCNCC4)c3)c2)C1,IYTDYNUYNFYPBZ-UHFFFAOYSA-N
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-rxn:4:187377:223001,CC1CCN(C(=O)CS(=O)(=O)c2ccc(-c3cc(C4CCCNC4)ccc3F)cc2)CC1,FWRLAUVLFBGOFZ-UHFFFAOYSA-N
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-rxn:4:187597:227657,O=C(c1cccc(-c2ccc(N3CCOCC3)s2)c1)N1CC(S(=O)(=O)C2CCCCC2)C1,HGWLODFNZFVPOW-UHFFFAOYSA-N
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-rxn:4:187821:225901,Cc1nn(C(=O)OC(C)(C)C)cc1-c1cccc2c1CN(CC(=O)OC(C)(C)C)C2=O,YDQFJUQONWQXBR-UHFFFAOYSA-N
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-rxn:4:187896:224177,COc1ccc2cc(C(=O)C(C)=CN(C)C)ccc2c1-c1cc(Cl)c(OC(C)C)c(OCC(C)C)c1,OXGRSVYXYNGTFX-UHFFFAOYSA-N
-rxn:4:187918:223575,COc1cc(-c2ccccc2CN2CCN(C(=O)OC(C)(C)C)CC2)cc2c1OCCN(C(=O)OC(C)(C)C)C2,QJBYWZQQFIGVBB-UHFFFAOYSA-N
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-rxn:4:189931:223598,COC(=O)c1ccc(N2CCOCC2)cc1-c1ccc(OCCN2CCC3(CC2)OCCO3)c(F)c1,PUHRIDJWCGSFDV-UHFFFAOYSA-N
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-rxn:4:189938:222716,COC1CCN(S(=O)(=O)c2cccc(-c3ccc(S(=O)(=O)NC4CCCC4)c(F)c3)c2)C1,VDZYBVGCNQPJGD-UHFFFAOYSA-N
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-rxn:4:189981:223983,CCN1CCN(S(=O)(=O)c2ccccc2-c2ccc(CC(=O)N3CCCCC3)cc2)CC1,AZSKTJHHWJUXQN-UHFFFAOYSA-N
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-rxn:4:190224:224203,COc1cc(C(=O)N2CCCCC2)ccc1-c1ccc(CN2CCOCC2)c(S(C)(=O)=O)c1,XNEYHKZYDDLQCZ-UHFFFAOYSA-N
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-rxn:4:190380:224321,COc1cc(S(=O)(=O)N2CCCCCC2)ccc1-c1cccc(S(=O)(=O)N2CCC(C)CC2)c1,MIGKYCIFNRNPKJ-UHFFFAOYSA-N
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-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
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-rxn:4:190823:223529,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc4c(c3)CN(C(=O)OC(C)(C)C)C4=O)cc2F)CC1,SJFCBNFEGVBGFM-UHFFFAOYSA-N
-rxn:4:190834:222725,CCNS(=O)(=O)c1ccc(-c2cc(F)c3c(c2)CN(C(=O)OC(C)(C)C)C3=O)c(C(F)(F)F)c1,KCZXXJXGJLRPQC-UHFFFAOYSA-N
-rxn:4:190857:224377,CN1CCN(S(=O)(=O)c2ccc(-c3cc4c(s3)CN(C(=O)OC(C)(C)C)CC4)cc2)CC1,YSEZCPXISFWSNT-UHFFFAOYSA-N
-rxn:4:190926:223885,CC(C)(C)OC(=O)N1CCc2ccc(-c3ccc4c(c3)N(C(=O)OC(C)(C)C)CCC4=O)cc2C1,JKUHROTZXRYURA-UHFFFAOYSA-N
-rxn:4:190972:226828,Cc1cc(Cl)c(-c2ccc(C(=O)N3C4CCC3CC(S(C)(=O)=O)C4)o2)cc1C(F)(F)F,LXCCLNCFKZWQFK-UHFFFAOYSA-N
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-rxn:4:190983:224485,CC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)CCO3)c1,OGQPTYGJDIDWBY-UHFFFAOYSA-N
-rxn:4:191008:222800,Cc1cc(-c2ccc3c(c2)C(=O)N(C(=O)OC(C)(C)C)C3(C)C)cc(C)c1S(=O)(=O)NC(C)C,DHQNUCOTQIXUCZ-UHFFFAOYSA-N
-rxn:4:191008:225903,CON(C)C(=O)c1cc(-c2ccc3c(c2)C(=O)N(C(=O)OC(C)(C)C)C3(C)C)ccc1F,KYCYQJUCUBIRHY-UHFFFAOYSA-N
-rxn:4:191030:222910,CCCNS(=O)(=O)c1ccc(-c2ccc3c(c2)C(C)(C)N(C(=O)OC(C)(C)C)C3)c(C)c1,CTVPDECYYZPFSA-UHFFFAOYSA-N
-rxn:4:191031:224614,CN(C(=O)OC(C)(C)C)c1ccc(-c2ccc3c(c2)CCN(C(=O)OC(C)(C)C)CC3)cc1,LCODXKAUGGFUTP-UHFFFAOYSA-N
-rxn:4:191032:222968,CC(C)CNC(=O)c1ccc(-c2cc3c(s2)C(C)(C)N(C(=O)OC(C)(C)C)CC3)cc1,SOYPTFKOSRZZES-UHFFFAOYSA-N
-rxn:4:191055:224936,CC(C)(C)OC(=O)Cc1ccc(-c2ccc3c(c2)C2(CC2)CN(C(=O)OC(C)(C)C)C3)cc1,CZRDYWHSQLBYHG-UHFFFAOYSA-N
-rxn:4:191088:224936,CC(C)(C)OC(=O)Cc1ccc(-c2ccc3c(c2)C(C)(C)CCN3C(=O)OC(C)(C)C)cc1,KROWWHRIMPXSQS-UHFFFAOYSA-N
-rxn:4:191097:226499,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3cccn3C(=O)OC(C)(C)C)cc21,CGKRMAJCCXTOKC-UHFFFAOYSA-N
-rxn:4:191099:223928,CC(C)(C)OC(=O)N1CCC2(CC1)Oc1ccc(-c3cnc4c(c3)CN(C(=O)OC(C)(C)C)CC4)cc1C2=O,DLPFGTNDQCJOLB-UHFFFAOYSA-N
-rxn:4:191103:223898,CC(C)N(C(=O)OC(C)(C)C)c1ccc(-c2ccc3c(c2)C2(C=C3)CCN(C(=O)OC(C)(C)C)CC2)cc1,CVYKRRXPANXGBS-UHFFFAOYSA-N
-rxn:4:191126:223939,CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)c1cc(-c3ccc4c(c3)N(C(=O)OC(C)(C)C)CCO4)ccc1O2,KIJQEMTXDDEKTH-UHFFFAOYSA-N
-rxn:4:191129:225947,CN1CCN(c2ncc(-c3ccc4c(c3)CCC3(CCN(C(=O)OC(C)(C)C)CC3)O4)cn2)CC1,UXAPGISBKKGVIS-UHFFFAOYSA-N
-rxn:4:191195:223609,CC1C(=O)C(C)(C)N(C(=O)OC(C)(C)C)c2c1cc(-c1cc3c(c4ccccc14)-c1ccccc1C3(C)C)c1c2CCC1,BSEMNPVKFWKQHC-UHFFFAOYSA-N
-rxn:4:191195:224559,CC1C(=O)C(C)(C)N(C(=O)OC(C)(C)C)c2c1cc(-c1ccc(SCc3ccccc3F)cc1)c1c2CCC1,BBVHVJXISUTAIM-UHFFFAOYSA-N
-rxn:4:191394:223502,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3cc(C(=O)C(F)(F)F)ccn3)cc2F)CC1,LKADXMXFHNOWTJ-UHFFFAOYSA-N
-rxn:4:191394:223529,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cc(C(=O)C(F)(F)F)ccn3)cc2F)CC1,FTPRWYNLKPULDW-UHFFFAOYSA-N
-rxn:4:193131:222695,Cc1ccc(-c2ccc(S(=O)(=O)N=C3C=CC(=O)C=C3)cc2)cc1S(=O)(=O)NC1CCCC1,GDPIDCKBDPZQQZ-UHFFFAOYSA-N
-rxn:4:193237:223835,Cc1cc(F)c(-c2cc(S(=O)(=O)N3CCCC3)ccc2F)cc1S(=O)(=O)N1CCC(C)CC1,POJFZISEGWURLH-UHFFFAOYSA-N
-rxn:4:193337:222465,Clc1ccc(-c2cc(C3CCCCC3)nc(C3CCCNC3)c2)cc1CN1CCOCC1,AADZOABUXODICH-UHFFFAOYSA-N
-rxn:4:193354:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1ccc(C=NC2CCS(=O)(=O)C2)cc1,NAGNZTGPWRRXJX-UHFFFAOYSA-N
-rxn:4:193392:223508,O=S(=O)(c1ccc(Cl)cc1)N1CCN(c2ccc(-c3ccc(F)c(S(=O)(=O)N4CCOCC4)c3)cn2)CC1,KTXKEPQAEVBJKC-UHFFFAOYSA-N
-rxn:4:193499:224392,Cc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1cccc(S(=O)(=O)N2CCC(=O)CC2)c1,NQDBIXIAEIXESM-UHFFFAOYSA-N
-rxn:4:193518:222943,CC1=CC(=O)C=CC1=NS(=O)(=O)c1ccc(-c2ccc(F)c(S(=O)(=O)NC3CC3)c2)cc1,XKNOAWFXYBPKJB-UHFFFAOYSA-N
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-rxn:4:202230:224670,Cc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)c(-c2cc(CN3CCN(C)CC3)ccc2F)c1,XXPOQTMKGVGDLE-UHFFFAOYSA-N
-rxn:4:202230:225758,Cc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)c(-c2ccncc2C(=O)OC(C)(C)C)c1,UGYFFBUYGXAUIQ-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:4:202273:222701,O=C(C1CCCN(Cc2cccc(-c3cc(C4CCCNC4)cc(C(F)(F)F)c3)c2)C1)N1CCSCC1,QKLSDAHZLDWLNZ-UHFFFAOYSA-N
-rxn:4:202284:223074,COc1ccc(-c2cccc(NS(=O)(=O)C3CC3)c2)cc1CN1CCC(N2CCCC2)CC1,OEAKWRLIDMIKMQ-UHFFFAOYSA-N
-rxn:4:202290:227349,COc1cc(C)cc(-c2ccc(S(=O)(=O)N3CCC(N4CCC(OC)C4)CC3)cc2)c1OC,DZDIXKWWSGEWPO-UHFFFAOYSA-N
-rxn:4:202290:227839,COC1CCN(C2CCN(S(=O)(=O)c3ccc(-c4c(C)cccc4C4CC4)cc3)CC2)C1,GXCTUQGGUZQIOX-UHFFFAOYSA-N
-rxn:4:202295:224683,COc1cc(-c2cc(F)cc(C(=O)N3CCCCC3)c2)ccc1S(=O)(=O)N1CCN(c2ccc(C)cc2)CC1,AKBILBSSYPXNJJ-UHFFFAOYSA-N
-rxn:4:202295:225296,COc1cc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)ccc1S(=O)(=O)N1CCN(c2ccc(C)cc2)CC1,RHLGZJOEAZZXEL-UHFFFAOYSA-N
-rxn:4:202310:223699,O=S(=O)(c1ccc(-c2ccc(S(=O)(=O)N3CCCSCC3CN3CCOCC3)cc2)c(C(F)(F)F)c1)N1CCOCC1,NQQHLDBSSSMVQG-UHFFFAOYSA-N
-rxn:4:202318:224326,Cc1ccc(S(=O)(=O)c2nc(-c3ccc(-c4ccc(S(=O)(=O)N5CCCCC5)c(C)c4)cc3)oc2N2CCOCC2)cc1,ODYKJEGDHTWCSW-UHFFFAOYSA-N
-rxn:4:202330:222621,COc1ccc(-c2cc(CC(C)C)nc(C3CCCNC3)c2)cc1S(=O)(=O)N1CCN(c2cccc(C)c2C)CC1,DABUEGRXWOUYLK-UHFFFAOYSA-N
-rxn:4:202330:222920,COc1ccc(-c2ccc(S(=O)(=O)NC3CC3)cc2C)cc1S(=O)(=O)N1CCN(c2cccc(C)c2C)CC1,JQDBPKNQRSTSLG-UHFFFAOYSA-N
-rxn:4:202337:226177,Cc1ccc(S(=O)(=O)N2CCOC23CCN(C(=O)c2ccc(-c4ccnc(C5CCCCC5)c4)o2)CC3)cc1,UITSJIVGLDMLAK-UHFFFAOYSA-N
-rxn:4:202339:222466,CC1CCCN(S(=O)(=O)c2nc(-c3ccc(-c4cc(C5CCCCC5)nc(C5CCNCC5)c4)cc3)oc2-c2ccc(Cl)cc2)C1,BUYFDDOFKFREEG-UHFFFAOYSA-N
-rxn:4:202340:226463,CC(=O)n1ncc2c(-c3ccc(C(=O)N4CCC5(CC4)OCCN5S(=O)(=O)c4ccc(F)c(C)c4)o3)cccc21,HPHBIFGGDTZVCK-UHFFFAOYSA-N
-rxn:4:202355:225875,CCc1ccccc1N1CCN(S(=O)(=O)c2c(C)cc(C)c(-c3ccc(N4CCOCC4)cc3Cl)c2C)CC1,BEEVSFCQABJNLY-UHFFFAOYSA-N
-rxn:4:202620:224188,CC(C)N(C(=O)c1ccc(-c2ccc3c(C(C)(C)C)nn(C(=O)OC(C)(C)C)c3c2)c(Cl)c1)C(C)C,KGSUVVUSWGMSDJ-UHFFFAOYSA-N
-rxn:4:202677:224289,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc(N(C)C(=O)OC(C)(C)C)cc3F)ccnc21,ZITIYUCFHIQAKS-UHFFFAOYSA-N
-rxn:4:202680:223580,COC(=O)c1ccc2c(c1)cc(-c1cnc3c(ccn3[Si](C(C)C)(C(C)C)C(C)C)c1Cl)n2C(=O)OC(C)(C)C,UYUOGSCBPQXFLX-UHFFFAOYSA-N
-rxn:4:202714:222948,CC(C)(C)OC(=O)N1CCCC(c2cncc3ccc(-c4cnc(N5CCC(O)CC5)nc4Cl)cc23)C1,SHNHLRGDNOQCDI-UHFFFAOYSA-N
-rxn:4:202714:223946,CCN(C(=O)OC(C)(C)C)c1ccc(-c2ccc3cncc(C4CCCN(C(=O)OC(C)(C)C)C4)c3c2)c(Cl)c1,GBMAIAXGDUQEFJ-UHFFFAOYSA-N
-rxn:4:202720:223845,Cc1ccc2ncc(C(=O)N3CCCC3)c(S(=O)(=O)c3ccc(-c4cc(F)c(F)cc4S(=O)(=O)N4CCN(C)CC4)cc3)c2c1,NHMMULDLASVITE-UHFFFAOYSA-N
-rxn:4:202726:226327,CC(C)(C)OC(=O)N1CCC(N2CCc3cc(-c4ccc(C5(C#N)CC5)cc4Cl)ccc32)CC1,BVFQEJASWTXNAR-UHFFFAOYSA-N
-rxn:4:202788:223573,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc(-n4c(SCc5ccccc5Cl)nc5sc6c(c5c4=O)CCCC6)cc3)cc2)CC1,XJGMBTBMILEGMS-UHFFFAOYSA-N
-rxn:4:202807:222589,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2ccc(OCCN3CCC(O)CC3)c(Cl)c2)cc1,JWYIDRWQVJXXLK-UHFFFAOYSA-N
-rxn:4:202807:223260,CNC(=O)c1cc(F)cc(-c2ccc(Sc3c(C)nn(C(=O)C45CC6CC(CC(C6)C4)C5)c3C)cc2)c1,ACWZKKZAPQZVLX-UHFFFAOYSA-N
-rxn:4:202807:223901,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2ccc(OCCN3CCC(C)CC3)c(Cl)c2)cc1,WHQYRVJVPOWFCT-UHFFFAOYSA-N
-rxn:4:203588:223977,COC(=O)c1ncc(N2CCCC2)cc1-c1cc(C(F)(F)F)ccc1C(=O)OC(C)(C)C,HVMCAHJTNBNVIY-UHFFFAOYSA-N
-rxn:4:203644:222583,CS(=O)(=O)N1CCC(Oc2ncccc2-c2ccc(C(=O)NCCN3CCOCC3)cc2)C1,KYLNEXXLHTYKFX-UHFFFAOYSA-N
-rxn:4:203644:222585,CS(=O)(=O)N1CCC(Oc2ncccc2-c2ccccc2C(=O)NCCN2CCOCC2)C1,JOONOLUUUGVEFE-UHFFFAOYSA-N
-rxn:4:203644:222604,COc1ccc(-c2cccnc2OC2CCN(S(C)(=O)=O)C2)cc1S(=O)(=O)NC1CCCC1,HYZBQLLRBVJIEL-UHFFFAOYSA-N
-rxn:4:203647:224080,COC(=O)c1nc(N2CCOCC2)ccc1-c1ccc(OCCCN2CCCCC2)cc1,LPYFVZHVZRUKID-UHFFFAOYSA-N
-rxn:4:203724:222658,O=C(NC1CCCCC1)c1cc(F)cc(-c2ccc(S(=O)(=O)NN3CCCCC3)cc2)c1,QEDCMOSCLSILMS-UHFFFAOYSA-N
-rxn:4:203731:222723,O=C(c1ccc(-c2cccc(NS(=O)(=O)N3CCOCC3)c2)o1)N1CC(N2CCCC2)C1,SYBXBYFWDZVXCL-UHFFFAOYSA-N
-rxn:4:203756:222996,O=S(=O)(c1cncc(-c2ccc(F)cc2C2CCCNC2)c1)N1CCCC(C(F)(F)F)C1,MDUUFLOLAAPFBW-UHFFFAOYSA-N
-rxn:4:203756:223058,O=S(=O)(c1cncc(-c2cc(F)nc(C3CCCNC3)c2)c1)N1CCCC(C(F)(F)F)C1,RMRBJGGMIFCYRJ-UHFFFAOYSA-N
-rxn:4:203763:223835,Cc1cc(F)c(-c2ccc(N3C(=O)CC(Sc4ccccn4)C3=O)cc2)cc1S(=O)(=O)N1CCC(C)CC1,HNGMWCRPLKWMMY-UHFFFAOYSA-N
-rxn:4:203775:222616,COC1CCN(S(=O)(=O)c2cncc(-c3cc(C4CCNCC4)cc(C(C)(C)C)c3)c2)CC1,DJCFBLIHYCCYDY-UHFFFAOYSA-N
-rxn:4:203775:222718,COC1CCN(S(=O)(=O)c2cncc(-c3cc(S(=O)(=O)N4CCNCC4)ccc3C)c2)CC1,DQBKQYDOIAXIEK-UHFFFAOYSA-N
-rxn:4:203775:224753,COC1CCN(S(=O)(=O)c2cncc(-c3cc(S(=O)(=O)N4CCCC4)ccc3C)c2)CC1,DYCWQLAVLVHYNW-UHFFFAOYSA-N
-rxn:4:203804:224125,CC(=O)N1CCCC(Cc2cncc(-c3ccc(CN4CCN(C5CC5)CC4)cc3)c2)C1,KJWHIVKGRSNKFV-UHFFFAOYSA-N
-rxn:4:203804:224256,CC(=O)N1CCCC(Cc2cncc(-c3ccc(Cl)c(C(=O)N4CCCCC4C)c3)c2)C1,LFHIPXCKWLOOIH-UHFFFAOYSA-N
-rxn:4:203815:222694,CCN1CCN(C(=O)c2ccc(Cl)cc2-c2cccc(S(=O)(=O)NC3CCCCC3)c2)CC1,BOQUTRGQKGILMW-UHFFFAOYSA-N
-rxn:4:203825:223569,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(F)c(-c3ccc(C(=O)N4CCN(S(C)(=O)=O)CC4)cc3)cnc21,CQLMJTYJGSLKSO-UHFFFAOYSA-N
-rxn:4:203828:223481,CCc1nc(C)cn1S(=O)(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCC(O[Si](C)(C)C(C)(C)C)CC3)cc2F)c(C)c1,XZUKOEVQBMZQDA-UHFFFAOYSA-N
-rxn:4:203880:222585,CS(=O)(=O)N1CCCC(Cc2cccc(-c3ccccc3C(=O)NCCN3CCOCC3)n2)C1,YFPZWCQGLFESJQ-UHFFFAOYSA-N
-rxn:4:203881:223790,CC(C)(C)OC(=O)N1CCCC1c1cncc(-c2cccc(CC3CCN(S(C)(=O)=O)CC3)n2)c1,WJYHUDWEOURHDB-UHFFFAOYSA-N
-rxn:4:203882:222630,CCN1CCN(S(=O)(=O)c2ccc(-c3cc(C4CCC4)nc(C4CCNCC4)c3)cc2)CC1,VPZTXQQSKRCXST-UHFFFAOYSA-N
-rxn:4:203884:223840,COc1ccc(-c2ccc(CS(=O)(=O)N3CCN(C)CC3)cc2)cc1S(=O)(=O)N1CCN(C)CC1,RTQWFKSBMBKLOC-UHFFFAOYSA-N
-rxn:4:203893:224327,CC1CCCN(S(=O)(=O)c2cccc(-c3cncc(CC4CCCN(S(C)(=O)=O)C4)c3)c2)C1,IXZGUNVNVFESIV-UHFFFAOYSA-N
-rxn:4:203932:224247,COc1cc(N2CCC(C)CC2)c(-c2ccc(C(=O)N3CCC(C)CC3)cc2F)cc1[N+](=O)[O-],HOWWEUZPBDLHAQ-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:4:203937:222398,Cc1cc(-c2ccccc2S(=O)(=O)N2CC(N3CCCC3)C2)ccc1NC(=O)NC1CC1,OWPQCZPESWNUCC-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:4:204031:224484,CC(C)N(C(=O)c1ccccc1-c1ccccc1N1CCN(S(=O)(=O)C(C)C)CC1)C(C)C,KYHXZQFTIADWHO-UHFFFAOYSA-N
-rxn:4:204055:222942,O=C(c1ccc(-c2ccc(S(=O)(=O)NC3CC3)c(F)c2)o1)N1CCCN(C2CCSC2)CC1,OXGUOBYJYRGBIC-UHFFFAOYSA-N
-rxn:4:204055:222943,O=C(c1ccc(-c2ccc(F)c(S(=O)(=O)NC3CC3)c2)o1)N1CCCN(C2CCSC2)CC1,QDIAJZAOYGJAIN-UHFFFAOYSA-N
-rxn:4:204072:223891,Cc1ccc(C(=O)N2CCN(C(C)C)CC2)cc1-c1c(F)ccc2c1ccn2[Si](C)(C)C(C)(C)C,CDTQFZOFVHIXKT-UHFFFAOYSA-N
-rxn:4:204073:225808,CC(=O)N1CCN(S(=O)(=O)c2cc(-c3cc(OC4CCCC4)ncc3F)c(C)cc2C)CC1,DAXYLFGUQORTEV-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:4:204115:223078,CCNS(=O)(=O)c1ccc(-c2ccccc2S(=O)(=O)N2CCCN(C3CCC3)CC2)c(C)c1,XTWHGGVUROCYTP-UHFFFAOYSA-N
-rxn:4:204118:223071,CCS(=O)(=O)NCc1ccc(-c2ccccc2C(=O)N2CCCN(C3CCSC3)CC2)cc1,XHRRTWSLOLMTKW-UHFFFAOYSA-N
-rxn:4:204169:227386,CC1CN(Cc2ccc(-c3cnn(C4CCCCC4)c3)cc2N2CCCCC2)CCO1,LQTUZVPQXTXDEK-UHFFFAOYSA-N
-rxn:4:204172:226177,CC1CCN(Cc2ccc(-c3ccnc(C4CCCCC4)c3)cc2N2CCCCC2)CC1,FQUHPPJIJHMFMT-UHFFFAOYSA-N
-rxn:4:204179:224406,Cc1ccc(N2CCN(S(=O)(=O)c3cc(C)c(-c4ccc(F)c(S(=O)(=O)N5CCOCC5)c4)cc3C)CC2)cc1C,UNBNHEMPASUEJY-UHFFFAOYSA-N
-rxn:4:204180:223696,Cc1ccc(N2CCN(S(=O)(=O)c3cc(-c4ccc(S(=O)(=O)N5CCC6(CC5)OCCO6)cc4)c(C)cc3C)CC2)c(C)c1,DBWAAOKOAUGIDR-UHFFFAOYSA-N
-rxn:4:204183:225213,Cc1ccc(N2CCN(S(=O)(=O)c3cc(C)c(C)cc3-c3ccc(N4CCN(C)CC4)cc3Cl)CC2)c(C)c1,FYJMSDLXVBRCDZ-UHFFFAOYSA-N
-rxn:4:204183:225749,COc1ccc(C(=O)N(C)C)cc1-c1cc(C)c(C)cc1S(=O)(=O)N1CCN(c2ccc(C)cc2C)CC1,GXXXLIZNBQMYPU-UHFFFAOYSA-N
-rxn:4:204353:223506,CCOC(=O)c1nn2c(c1-c1cccc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c1)COCC2,CSTHNOOYWYFBAB-UHFFFAOYSA-N
-rxn:4:204557:222812,CC(C)(C)OC(=O)Nc1cc(-c2cnc3c(c2)OCCN3C(=O)OC(C)(C)C)cnc1Cl,OJRYNPNSQLJBPL-UHFFFAOYSA-N
-rxn:4:204601:223504,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc4c(c3)CN(C(=O)OC(C)(C)C)CC4)cc2[N+](=O)[O-])CC1,ORHDWXXMYQJGHL-UHFFFAOYSA-N
-rxn:4:204648:222694,O=C(c1ccc(-c2cccc(S(=O)(=O)NC3CCCCC3)c2)o1)N1CC(N2CCc3sccc3C2)C1,BYSBMNDBSWRKGG-UHFFFAOYSA-N
-rxn:4:204700:227109,Cc1cc(Cl)c(C2CC2)cc1-c1ccc(C(=O)N2CC(N3C(=O)C4CC=CCC4C3=O)C2)o1,HSCMGMQNKNRKTI-UHFFFAOYSA-N
-rxn:4:204764:223060,O=C1C2CC=CCC2C(=O)N1C1CN(S(=O)(=O)c2ccc(-c3cc(Cl)nc(C4CCNCC4)c3)cc2)C1,GFHDQUBCYARQIC-UHFFFAOYSA-N
-rxn:4:204764:225217,CC1CCCN(c2cc(F)c(-c3ccc(S(=O)(=O)N4CC(N5C(=O)C6CC=CCC6C5=O)C4)cc3)cn2)C1,GFPSBRKFJUBGOS-UHFFFAOYSA-N
-rxn:4:204955:223074,COc1ccc(C2=NN3C(C2)c2cc(-c4cccc(NS(=O)(=O)C5CC5)c4)ccc2OC3C2CCCCC2)cc1,AODDFMAOSBYGRD-UHFFFAOYSA-N
-rxn:4:206243:223977,CC(C)(C)OC(=O)c1ccc(C(F)(F)F)cc1-c1cncc(C(=O)N2CCC(F)(F)C2)c1,KIOVAOXUVFNGDJ-UHFFFAOYSA-N
-rxn:4:206439:223650,CC(C)(C)OC(=O)N1CCN(c2ccccc2-c2cnc(F)c(C(=O)N3CCOCC3)c2)CC1,PTXQGZCTYDBGCR-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:4:206914:223810,Cc1cc(-c2ccc(C3CCCN3C(C)C)nc2)cc(C)c1S(=O)(=O)N1CCC(C)CC1,UKIGMWDPBSSKOL-UHFFFAOYSA-N
-rxn:4:206946:222540,CS(=O)(=O)N1CCCC(c2cccc(-c3cccc(C(=O)NCCN4CCCCC4)c3)n2)C1,XUMJVTLAAXOORU-UHFFFAOYSA-N
-rxn:4:206946:222546,CS(=O)(=O)N1CCCC(c2cccc(-c3ccc(OCCNC4CCCCC4)c(F)c3)n2)C1,QMUQEJRHRRSPHB-UHFFFAOYSA-N
-rxn:4:206962:224406,CS(=O)(=O)N1CCCC(c2ccc(-c3ccc(F)c(S(=O)(=O)N4CCOCC4)c3)cn2)C1,XFENWBYWPPILHN-UHFFFAOYSA-N
-rxn:4:206976:224805,CCOC(=O)c1cc(-c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2F)cc(C(F)(F)F)c1,VZUODBXGXLLVNF-UHFFFAOYSA-N
-rxn:4:206990:222890,COc1cc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCN(C)CC2)cc(C2CCCNC2)n1,YQESDRLSDOJKDS-UHFFFAOYSA-N
-rxn:4:207064:224322,Cc1cc(-c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)c(S(=O)(=O)N2CCN(C)CC2)cc1Cl,YMQJPNRJBQOORS-UHFFFAOYSA-N
-rxn:4:207067:224289,CN(C(=O)OC(C)(C)C)c1ccc(-c2nc(C3CCOCC3)cc(C(C)(C)C)n2)c(F)c1,AYHQJMPMILQYIW-UHFFFAOYSA-N
-rxn:4:207069:223832,COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1-c1ccc(C2CC2)cc1N1CCN(C)CC1,IRIJFTXAVOCPHS-UHFFFAOYSA-N
-rxn:4:207070:223529,CN1CCN(c2cc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)c(F)c3)cc(C3CC3)c2)CC1,PYBMSBZHIKTPRL-UHFFFAOYSA-N
-rxn:4:207070:223997,Cc1cc(-c2cc(C3CC3)cc(N3CCN(C)CC3)c2)cc(C)c1S(=O)(=O)N1CCOCC1,UDMZGRCIIOCXBG-UHFFFAOYSA-N
-rxn:4:207070:224391,Cc1cc(S(=O)(=O)N2CCOCC2)ccc1-c1cc(C2CC2)cc(N2CCN(C)CC2)c1,CCOAVOKWRQQZOK-UHFFFAOYSA-N
-rxn:4:207085:225898,Cc1cc(C)c(S(=O)(=O)N2CCN(C)CC2)cc1-c1cnn(CCN2CCOCC2)c1,MQTXLLZQWNWDJI-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:4:207624:224010,COc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1cncc2c1CCN2C(=O)C(C)(C)C,LFSYYBLSBXFZHZ-UHFFFAOYSA-N
-rxn:4:207629:223499,CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(-c3cn(C4CCOCC4)c4ccc(C#N)cc34)ccc2Cl)CC1,FYINOFKZMCCLNQ-UHFFFAOYSA-N
-rxn:4:207747:223999,CC(=O)N=C1SC2CS(=O)(=O)CC2N1c1ccc(-c2cc(S(=O)(=O)N3CCC(C)CC3)ccc2F)cc1,LXRBQFSDEKOFBM-UHFFFAOYSA-N
-rxn:4:207890:225047,Cc1cc(-c2cnn(CC34CC5CC(CC(C5)C3)C4)c2C)cnc1N1CCC(C)CC1,JRQNLUGAPBZSKT-UHFFFAOYSA-N
-rxn:4:207959:226366,Cc1ccc(C2=NN3C(C2)c2cc(-c4ccnc(N5CCCCC5)c4)ccc2OC3C2CCCCC2)cc1,HAVNYAQECVIQHH-UHFFFAOYSA-N
-rxn:4:207959:227404,Cc1ccc(C2=NN3C(C2)c2cc(-c4cc(N5CCCCC5)cs4)ccc2OC3C2CCCCC2)cc1,IELYBKYPPAZDCH-UHFFFAOYSA-N
-rxn:4:209558:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cncc(N4CCOCC4=O)c3)ccn2)CC1,AIKPXNDVBMERAA-UHFFFAOYSA-N
-rxn:4:209872:223671,CN1CCN(c2ccc(-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)cc2F)CC1,MKZLCPYQVHCZEE-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:4:210970:223529,Cn1ncc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)c(F)c2)c1C12CC(C)(C)CC1O2,QLGMVCXLIZVNBU-UHFFFAOYSA-N
-rxn:4:210970:223904,Cn1ncc(-c2cccc(C3CN(C(=O)OC(C)(C)C)C3)c2)c1C12CC(C)(C)CC1O2,ZVRXDYXIZYVYDK-UHFFFAOYSA-N
-rxn:4:211060:223844,CN1CCN(C2CCCc3cc(-c4ccc(S(=O)(=O)N5CCCC5)cc4C(F)(F)F)ccc32)CC1,SLWUVCVHKSRCOP-UHFFFAOYSA-N
-rxn:4:212532:224713,CCCCOc1ccc(-c2cnn(CC3CN(C(=O)c4cccc(OC(F)(F)F)c4)C3)c2)c(C(F)(F)F)c1,GIGRRACMWOGRPV-UHFFFAOYSA-N
-rxn:4:212546:225984,Cn1ncc(-c2cnc(Cl)c(N3CCOCC3)c2)c1CN(C(=O)OC(C)(C)C)C1CC1,OQXPMNRTEBZVDR-UHFFFAOYSA-N
-rxn:4:212568:223239,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2cncc(C3CCCN3)c2)cc1,FABXAZJIXSXLTB-UHFFFAOYSA-N
-rxn:4:212597:224257,Cc1cccc(OCC(=O)N2CCC(Oc3ncc(-c4cc(C(=O)N5CCCCC5C)ccc4Cl)cn3)C2)c1,AWTPYFXLAWODKZ-UHFFFAOYSA-N
-rxn:4:212607:223812,CCC(CC)C(=O)N1CCC(Oc2ncc(-c3cc(F)cc(CN4CCC5(CC4)OCCO5)c3)cn2)CC1,XOKXRSVPCUCPOE-UHFFFAOYSA-N
-rxn:4:212630:223836,COc1ncnc2c1cc(-c1cncc(C(=O)N3CCCC(COc4ncccc4C(F)(F)F)C3)c1)n2C(=O)OC(C)(C)C,FCURYCLPNLBMFG-UHFFFAOYSA-N
-rxn:4:212647:227475,CCOC(=O)c1cncc(-c2cnc(CCC3CCCCN3C(=O)OC(C)(C)C)cn2)c1,HBWLSRXUKWHMHP-UHFFFAOYSA-N
-rxn:4:212648:223588,Cc1cc(-c2cn(C)nc2OCC2CCN(C(=O)OC(C)(C)C)CC2)cnc1N1CCN(C(=O)OC(C)(C)C)CC1,UVIFRRBGTOYYTP-UHFFFAOYSA-N
-rxn:4:212649:222948,CCC(C)(C)C(=O)N1CCCC(COc2ncc(-c3cnc(N4CCC(O)CC4)nc3Cl)cn2)C1,QMYMVGBIMIIRNR-UHFFFAOYSA-N
-rxn:4:212650:225875,CC(C)(C)CC(=O)N1CCCC(COc2ncc(-c3ccc(N4CCOCC4)cc3Cl)cn2)C1,NBFBEZIJHJWKHL-UHFFFAOYSA-N
-rxn:4:212650:225977,CC(C)(C)CC(=O)N1CCCC(COc2ncc(-c3cc(Cl)cnc3N3CCOCC3)cn2)C1,UWZLEUHWBQRNTA-UHFFFAOYSA-N
-rxn:4:212653:223652,COC(=O)c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)c(-c2cc3c(Cl)ccc(OC)c3n2C(=O)OC(C)(C)C)n1,UBWFPAPNINLYJD-UHFFFAOYSA-N
-rxn:4:212653:223932,COC(=O)c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)c(-c2cc3c(Cl)cccc3n2C(=O)OC(C)(C)C)n1,FAAGDZMPHJIZEP-UHFFFAOYSA-N
-rxn:4:212653:224277,COC(=O)c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)c(-c2ccnc3c2ccn3C(=O)OC(C)(C)C)n1,HFJMLXUIYMIXDO-UHFFFAOYSA-N
-rxn:4:212658:226021,COC(=O)c1ncc(-c2cc(Cl)ccc2OCC(F)(F)F)cc1N1CCN(C(=O)OC(C)(C)C)CC1,XBUNPFWYNVBXCH-UHFFFAOYSA-N
-rxn:4:212723:222778,CCOc1ccc(-c2noc(C3CCN(S(=O)(=O)c4ccc(-c5cncc(CNC(=O)OC(C)(C)C)c5)cc4)CC3)n2)cc1,MKZXFCRREIXXLV-UHFFFAOYSA-N
-rxn:4:212729:225640,COc1ccc(-c2noc(C3CCCN(S(=O)(=O)c4ccc(-c5ccnc(N6CCCCC6C)c5)cc4)C3)n2)cc1OC,KZVORNYUCQULBW-UHFFFAOYSA-N
-rxn:4:212739:223685,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc(OC(F)(F)F)c(OCc4cccnc4)c3)cc2N2CCCCC2)CC1,XAYDSEZWFINCNB-UHFFFAOYSA-N
-rxn:4:212744:223932,CC(C)(C)OC(=O)N1CCN(c2cc(CN3CCC(F)(F)CC3)cc(-c3cc4c(Cl)cccc4n3C(=O)OC(C)(C)C)c2)CC1,ORWGAUDLCRXEEL-UHFFFAOYSA-N
-rxn:4:212753:223697,CCOC(=O)c1c(OCc2ccccc2)cc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2C(F)(F)F)c2ncnn12,DTYCBDBTKATUHT-UHFFFAOYSA-N
-rxn:4:212771:225984,CN(C)CCN(C(=O)C1=COCCO1)c1nc2ccc(-c3cnc(Cl)c(N4CCOCC4)c3)cc2s1,NXPSQAVMSITKBJ-UHFFFAOYSA-N
-rxn:4:212774:223697,CN(C)CCN(C(=O)c1ccccc1-c1ccc(S(=O)(=O)N2CCCCC2)cc1C(F)(F)F)c1nc2c(Cl)cccc2s1,KYWUQLRQXHYYOT-UHFFFAOYSA-N
-rxn:4:212785:222628,COCCn1c(=NC(=O)c2ccc(-c3cc(C4CCC4)nc(C4CCCNC4)c3)cc2)sc2cc(S(N)(=O)=O)ccc21,JFLVHGGODQCXLE-UHFFFAOYSA-N
-rxn:4:212823:223840,COc1ccc(S(=O)(=O)N2CCN(C(=O)Cn3ccc4cc(-c5ccc(OC)c(S(=O)(=O)N6CCN(C)CC6)c5)ccc43)CC2)cc1,QBGPJBMLIMPXRZ-UHFFFAOYSA-N
-rxn:4:212839:225313,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4ccc(N5CCN(C)CC5)nc4F)ccn23)CC1,HVRHGCVUDZAVFZ-UHFFFAOYSA-N
-rxn:4:212905:223533,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccnc(OC4CN(C(=O)OC(C)(C)C)C4)n3)c(F)c2)CC1,TXYYWQAGGCZKFF-UHFFFAOYSA-N
-rxn:4:212908:225009,CCOC(=O)N1CCCC(Oc2ncc(-c3cc(C)cnc3OC3CCCCC3)cn2)C1,HMNGBJIYZKYVSX-UHFFFAOYSA-N
-rxn:4:212923:222792,CC(C)(C)OC(=O)Nc1ccc(F)c(-c2ccc(C3(C#N)CN(C(=O)OC(C)(C)C)C3)nc2)c1,FHILZWATCMMFQT-UHFFFAOYSA-N
-rxn:4:212967:223071,CCS(=O)(=O)NCc1ccc(-c2cnc(OCC3CCN(C(=O)C4CC4)CC3)nc2)cc1,NODLBYKWGJZDDS-UHFFFAOYSA-N
-rxn:4:212970:224158,Cc1nc(OC2CN(C(=O)OC(C)(C)C)C2)ncc1-c1ccc2c(ccn2C(=O)OC(C)(C)C)c1,OEUWDPWEEBYBRG-UHFFFAOYSA-N
-rxn:4:212988:226766,Cc1ccc(OC(F)(F)F)c(-c2nc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cs2)c1,OIIZDGNUCJQRML-UHFFFAOYSA-N
-rxn:4:212991:222540,O=C(NCCN1CCCCC1)c1cccc(-c2cnc(OCC3CCN(S(=O)(=O)C4CC4)CC3)nc2)c1,RBHBBYHUYUZLAI-UHFFFAOYSA-N
-rxn:4:212991:222828,O=S(=O)(NC1CC1)c1cc(F)c(F)cc1-c1cnc(OCC2CCN(S(=O)(=O)C3CC3)CC2)nc1,PWKJMILOCZXFKV-UHFFFAOYSA-N
-rxn:4:212991:223178,CONC(=O)c1ccc(F)c(-c2cnc(OCC3CCN(S(=O)(=O)C4CC4)CC3)nc2)c1,OQVSMXUVAKLINF-UHFFFAOYSA-N
-rxn:4:212991:223180,CONC(=O)c1ccc(-c2cnc(OCC3CCN(S(=O)(=O)C4CC4)CC3)nc2)cc1F,CXKFESOEMZWPQS-UHFFFAOYSA-N
-rxn:4:212991:224015,Cc1cc(F)c(-c2cnc(OCC3CCN(S(=O)(=O)C4CC4)CC3)nc2)cc1S(=O)(=O)N1CCOCC1,ALJMCUPETHZHIF-UHFFFAOYSA-N
-rxn:4:212992:222607,CS(=O)(=O)N1CCC(Nc2ccc(-c3cnc(OCC4CCCN(S(=O)(=O)C5CC5)C4)nc3)cc2)CC1,AVZMUNPEXSJZIE-UHFFFAOYSA-N
-rxn:4:213010:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cnn(C[C@@H]4CN(C(=O)OC(C)(C)C)CCO4)c3)c2Cl)CC1,WLCFEVZMJXJFMR-FQEVSTJZSA-N
-rxn:4:213010:223946,CCN(C(=O)OC(C)(C)C)c1ccc(-c2cnn(C[C@@H]3CN(C(=O)OC(C)(C)C)CCO3)c2)c(Cl)c1,PUTVTLIGIQMPLI-FQEVSTJZSA-N
-rxn:4:213010:226327,CC(C)(C)OC(=O)N1CCO[C@H](Cn2cc(-c3ccc(C4(C#N)CC4)cc3Cl)cn2)C1,YZUJHGSFJSXPNF-SFHVURJKSA-N
-rxn:4:213037:224759,CC(C)CCN1CCC(Oc2ncc(-c3cc(F)cc(C(=O)N4CCOCC4)c3)cn2)CC1,HJBUUWKDJXVEBC-UHFFFAOYSA-N
-rxn:4:213048:223542,COc1ccc(S(=O)(=O)N2CC(Cn3cc(-c4ccc(OC(F)(F)F)c(S(=O)(=O)N5CCN(C)CC5)c4)cn3)C2)cc1C,QCVYMWIBUJVORD-UHFFFAOYSA-N
-rxn:4:213053:226231,CCCCOc1ncc(-c2cnc(OCC3CCCN(C(=O)C4CC(F)(F)C4)C3)nc2)cc1C,ZTZDTFITQQDCQN-UHFFFAOYSA-N
-rxn:4:213072:223975,CC(C)(C)OC(=O)N1CCCC(Cn2cc(-c3cn(C(=O)OC(C)(C)C)c4ccc(Cl)nc34)cn2)C1,APHFQUNHLFFTCO-UHFFFAOYSA-N
-rxn:4:213072:224158,CC(C)(C)OC(=O)N1CCCC(Cn2cc(-c3ccc4c(ccn4C(=O)OC(C)(C)C)c3)cn2)C1,BQTBBAMWYVFYLY-UHFFFAOYSA-N
-rxn:4:213072:224276,CC(C)(C)OC(=O)N1CCCC(Cn2cc(-c3cn(C(=O)OC(C)(C)C)c4cccnc34)cn2)C1,YGSCKIVWKPAINO-UHFFFAOYSA-N
-rxn:4:213096:222787,CC(C)(C)OC(=O)Nc1ccc(-c2ccc(C#N)c(N3CCN(C(=O)OC(C)(C)C)CC3)c2)c(Cl)c1,HGHWQPNEHPZYOZ-UHFFFAOYSA-N
-rxn:4:213096:227313,CCC(C)c1cc(-c2ccc(C#N)c(N3CCN(C(=O)OC(C)(C)C)CC3)c2)c(F)cn1,XJECLDQMEYTUBP-UHFFFAOYSA-N
-rxn:4:213097:222549,Cc1cc(-c2ccc(C3(C#N)CCN(C(=O)OC(C)(C)C)CC3)nc2)cnc1NCC(=O)c1ccccc1,QHQVWQITEJRRDL-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:4:213126:223175,CCS(=O)(=O)Nc1cccc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)cn2)c1,TXDCUMJSYDPLCG-UHFFFAOYSA-N
-rxn:4:213126:223683,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cnc(OC4CCN(C(=O)OC(C)(C)C)C4)nc3)nc2)CC1,ZCIKTCRWERAAJT-UHFFFAOYSA-N
-rxn:4:213126:226715,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cnn(C(=O)OC(C)(C)C)c3)nc2)CC1,VZONQGYAQWQYKE-UHFFFAOYSA-N
-rxn:4:213127:223888,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3ccc4c(c3)N(C(=O)OC(C)(C)C)CCC4)ccn2)CC1,DLRVFCLOWCQTIH-UHFFFAOYSA-N
-rxn:4:213130:223057,CC(C)(C)OC(=O)N1CCN(Cc2cncc(-c3cc(Cl)nc(C4CCCNC4)c3)c2)CC1,IOEGHXWREARGPD-UHFFFAOYSA-N
-rxn:4:213131:222584,CC(C)(C)C(=O)N1CCC(COc2ncc(-c3ccc(OCCCN4CCNCC4)c(F)c3)cn2)CC1,GEIDRHGAKNUBHE-UHFFFAOYSA-N
-rxn:4:213131:225752,COC(=O)c1cnc(C(C)C)c(-c2cnc(OCC3CCN(C(=O)C(C)(C)C)CC3)nc2)c1,GISTUUIREKJUMM-UHFFFAOYSA-N
-rxn:4:213131:225875,CC(C)(C)C(=O)N1CCC(COc2ncc(-c3ccc(N4CCOCC4)cc3Cl)cn2)CC1,VQSDRMQSTUGBNJ-UHFFFAOYSA-N
-rxn:4:213131:226554,CCCOc1cc(F)c(-c2cnc(OCC3CCN(C(=O)C(C)(C)C)CC3)nc2)cc1F,NVYQWADESBEJGX-UHFFFAOYSA-N
-rxn:4:213134:225801,CCC(C)(C)C(=O)N1CCC(Oc2ncc(-c3ccnc(OC4CCCC4)c3Cl)cn2)CC1,AIRACXPSGKZJNS-UHFFFAOYSA-N
-rxn:4:213160:223835,COc1ccccc1S(=O)(=O)N1CCC(Oc2ncc(-c3cc(S(=O)(=O)N4CCC(C)CC4)c(C)cc3F)cn2)CC1,SVFWRJOSTMWSLZ-UHFFFAOYSA-N
-rxn:4:213164:222584,O=C(C1CCCC1)N1CCCC(COc2ncc(-c3ccc(OCCCN4CCNCC4)c(F)c3)cn2)C1,RMNRDZASOXBZBB-UHFFFAOYSA-N
-rxn:4:213164:222634,O=C(C1CCCC1)N1CCCC(COc2ncc(-c3ccc(OCCNC4CCCC4)c(F)c3)cn2)C1,YFLZKXGAXLFNCP-UHFFFAOYSA-N
-rxn:4:213176:222546,Cc1cccnc1OCC1CCN(C(=O)c2cncc(-c3ccc(OCCNC4CCCCC4)c(F)c3)c2)CC1,DSBRADZMBUZHCL-UHFFFAOYSA-N
-rxn:4:213201:224011,Cc1cc(OCC2CCN(S(=O)(=O)c3ccccc3-c3ccc(S(=O)(=O)N4CCN(C)CC4)c(F)c3)CC2)ncn1,KGABWOKMNWVVOJ-UHFFFAOYSA-N
-rxn:4:213202:222537,Cc1ccc(OCC2CCN(S(=O)(=O)c3ccccc3-c3cc(C4CCCC4)nc(C4CCCNC4)c3)CC2)nn1,YXPHRYHAWYLCFM-UHFFFAOYSA-N
-rxn:4:213203:224155,Cc1ccc(OCC2CCN(S(=O)(=O)c3ccc(-c4cc(C5CC5)cc(N5CCN(C)CC5)c4)cc3)CC2)nn1,DDNSZTLHPWXJJO-UHFFFAOYSA-N
-rxn:4:213203:225301,Cc1ccc(OCC2CCN(S(=O)(=O)c3ccc(-c4cc(OC5CCOCC5)ncc4F)cc3)CC2)nn1,NSPIFOLAIVZYMZ-UHFFFAOYSA-N
-rxn:4:213203:225312,Cc1ccc(OCC2CCN(S(=O)(=O)c3ccc(-c4cnc(N5CCCN(C)CC5)nc4)cc3)CC2)nn1,REECGODDXMEJLK-UHFFFAOYSA-N
-rxn:4:213204:222769,Cc1cnc(OCC2CCCN(S(=O)(=O)c3ccccc3-c3ccc(C(=O)NC4CCCC4)c(F)c3)C2)nc1,HNYZMEISHHDGGB-UHFFFAOYSA-N
-rxn:4:213213:224290,CN(c1cccc(-c2ccc(Cl)cc2OCCN2CCOCC2)n1)C1CCN(C(=O)OC(C)(C)C)CC1,POKUVDSFVQBKRF-UHFFFAOYSA-N
-rxn:4:213218:223933,C[C@H]1CN(Cc2ccc(-c3cc4cc(F)ccc4n3C(=O)OC(C)(C)C)cn2)CCN1C(=O)OC(C)(C)C,BDJMSJKRUGDHIC-IBGZPJMESA-N
-rxn:4:213218:224670,C[C@H]1CN(Cc2ccc(-c3cc(CN4CCN(C)CC4)ccc3F)cn2)CCN1C(=O)OC(C)(C)C,OFVXPJPECBKXBM-NRFANRHFSA-N
-rxn:4:213221:225849,CC1CN(C(=O)OC(C)(C)C)CCN1c1ccc(-c2cnc(N3CCCCC3)cc2F)cc1[N+](=O)[O-],YJJZTVPPHOPLOY-UHFFFAOYSA-N
-rxn:4:213279:223935,Cc1ccc(S(=O)(=O)N2N=C(c3ccc(-c4cc5cccc(F)c5n4C(=O)OC(C)(C)C)cc3)CC2c2cccc([N+](=O)[O-])c2)cc1,YQYFEKRPRZQRLD-UHFFFAOYSA-N
-rxn:4:213289:223777,CC(C)(C)OC(=O)N1CCC(c2nc(C(C)(C)C)ncc2-c2ccc3c(c2F)CCN(C(=O)OC(C)(C)C)C3)CC1,YTPYOKSNIIGIBA-UHFFFAOYSA-N
-rxn:4:213359:222588,O=C(CSc1nc2c(c(=O)n1-c1ccc(-c3ccc(OCCN4CCC(O)CC4)c(F)c3)cc1)SCC2)N1CCCC1,NTTZDMACNWCQPF-UHFFFAOYSA-N
-rxn:4:213363:223790,COc1ccc2sc(OC3CCN(C(=O)c4cncc(-c5cncc(C6CCCN6C(=O)OC(C)(C)C)c5)c4)CC3)nc2c1,XVBDNBPIULUJAB-UHFFFAOYSA-N
-rxn:4:213363:224594,COc1ccc2sc(OC3CCN(C(=O)c4cncc(-c5ccccc5C5CCCCN5C(C)=O)c4)CC3)nc2c1,KVKSIUXCTFILPW-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:4:213604:222540,CCS(=O)(=O)N1CCC(Oc2ncc(-c3cccc(C(=O)NCCN4CCCCC4)c3)cn2)C1,ZAOYZKREUHMLFD-UHFFFAOYSA-N
-rxn:4:213640:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(-n4cc(OCC5CCOC5)cn4)nc3)c(F)cc2C)CC1,SSEFXAIVCVLETP-UHFFFAOYSA-N
-rxn:4:213659:222442,CCOC(=O)C1CCCN(c2ncc(-c3ccc(S(=O)(=O)NC4CCCC4)c4ccccc34)cn2)C1,NHGFCGIFXKDNJU-UHFFFAOYSA-N
-rxn:4:213659:224194,CCOC(=O)C1CCCN(c2ncc(-c3ccc(CN4CCN(CC)CC4)c(Cl)c3)cn2)C1,FJSRDZGONGRYLV-UHFFFAOYSA-N
-rxn:4:213660:223593,CCOC(=O)N1CCN(c2ccc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)c(Cl)c3)cn2)CC1,NNECFMPXRBTBSL-UHFFFAOYSA-N
-rxn:4:213720:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3ccnn3C3CCN(C(=O)OC(C)(C)C)C3)c2Cl)CC1,XERNJKJPIKGLRH-UHFFFAOYSA-N
-rxn:4:213759:225373,COc1cc(-c2cnc(C3CCCN3C(=O)OC(C)(C)C)cn2)c(Cl)cc1OC(F)(F)F,AFEKDQCPAVQZEG-UHFFFAOYSA-N
-rxn:4:213764:223507,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccccc2-c2cnc(C3CCN(C(=O)OC(C)(C)C)C3)cn2)CC1,QDPUFLKRSURZCQ-UHFFFAOYSA-N
-rxn:4:213768:224667,CN1CCN(Cc2cc(-c3cnc(OCC4CCCN(C5COC5)C4)nc3)ccc2Cl)CC1,PQKQLLXOLUNZLN-UHFFFAOYSA-N
-rxn:4:213778:224753,CCN1CCN(c2ccc(-c3cc(S(=O)(=O)N4CCCC4)ccc3C)c(C(=O)OC)n2)CC1,HAFCVLNZXGFSEO-UHFFFAOYSA-N
-rxn:4:213798:222634,CC(C)(C)OC(=O)N1CCOC(c2cnc(-c3ccc(OCCNC4CCCC4)c(F)c3)cn2)C1,KAUGVFURVZQNKK-UHFFFAOYSA-N
-rxn:4:213801:225312,CN1CCCN(c2ncc(-c3cncc(C4CN(C(=O)OC(C)(C)C)CCO4)n3)cn2)CC1,CGCGFYMWLGPYLI-UHFFFAOYSA-N
-rxn:4:213802:222987,Cc1nc(C2CCNCC2)ccc1-c1cccnc1OC1CCN(S(=O)(=O)N(C)C)CC1,UVCMOMABCOGHRE-UHFFFAOYSA-N
-rxn:4:213802:224163,Cc1c(-c2cccnc2OC2CCN(S(=O)(=O)N(C)C)CC2)ccc2c1cnn2C1CCCCO1,KAZJOLVFFILXKK-UHFFFAOYSA-N
-rxn:4:213802:225829,CC1CCN(c2ncc(-c3cccnc3OC3CCN(S(=O)(=O)N(C)C)CC3)cn2)CC1,PFHRCVCOFQMCEV-UHFFFAOYSA-N
-rxn:4:213843:223504,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4=O)c3)cc2[N+](=O)[O-])CC1,SOONRJVWRLOKOA-UHFFFAOYSA-N
-rxn:4:213843:223646,CC(C)(C)OC(=O)N1CCN(c2cc(-c3ccc(OC4CCN(C(=O)OC(C)(C)C)C4)cc3)ccn2)C(=O)C1,CCGMLRASISLIPW-UHFFFAOYSA-N
-rxn:4:213883:223937,Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)sc1-c1cc2cccc(Cl)c2n1C(=O)OC(C)(C)C,YKSCFZJAKAAIRI-UHFFFAOYSA-N
-rxn:4:213884:224171,CC(C)(C)OC(=O)N1CCC(c2ccnc(-c3ccc(OCCCN4CCCC4)c(F)c3)n2)CC1,GSEKAJGZSBDPDG-UHFFFAOYSA-N
-rxn:4:213889:222853,CC(C)(C)OC(=O)N1CCCC(c2cc(-c3ccc(CN4CCC(O)CC4)cc3)ncn2)C1,DHWAETVTXYRZDN-UHFFFAOYSA-N
-rxn:4:213889:224323,Cc1cc(-c2cc(C3CCCN(C(=O)OC(C)(C)C)C3)ncn2)cc(C)c1S(=O)(=O)N1CCCC1,DBEFEMFMIFWWAT-UHFFFAOYSA-N
-rxn:4:213901:222915,CC(C)(C)OC(=O)N1CCN(c2nc(Cl)ccc2-c2ccc(C(=O)NC3=NCCS3)cc2)CC1,BGJDBJMTGFBUMH-UHFFFAOYSA-N
-rxn:4:213902:225984,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3cnc(Cl)c(N4CCOCC4)c3)cc2F)CC1,AMSXRLIJOHPXFN-UHFFFAOYSA-N
-rxn:4:213910:222942,O=S(=O)(NC1CC1)c1ccc(-c2cccnc2OC2CCN(S(=O)(=O)N3CCOCC3)C2)cc1F,WQEFIRBALFRCGV-UHFFFAOYSA-N
-rxn:4:213910:223078,CCNS(=O)(=O)c1ccc(-c2cccnc2OC2CCN(S(=O)(=O)N3CCOCC3)C2)c(C)c1,FPCAZAFUEGGDRP-UHFFFAOYSA-N
-rxn:4:213910:227779,O=[N+]([O-])c1cc(F)c(F)c(-c2cccnc2OC2CCN(S(=O)(=O)N3CCOCC3)C2)c1,KAJPTBKNKYORCD-UHFFFAOYSA-N
-rxn:4:213910:227794,O=[N+]([O-])c1cc(Cl)c(F)c(-c2cccnc2OC2CCN(S(=O)(=O)N3CCOCC3)C2)c1,IJIUQHGZYPNHLA-UHFFFAOYSA-N
-rxn:4:213928:223540,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1ccccc1C(=O)N1CCCC(Oc2ccnc(C)n2)C1,FNHIDSCKHUFYHG-UHFFFAOYSA-N
-rxn:4:213965:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc(F)cc3CN3CCC(Oc4ncc(C)cn4)CC3)cc2)CC1,HMCRCJKTSDNCFV-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:4:213990:222791,Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1-c1cc(NC(=O)OC(C)(C)C)ccc1Cl,PDDSUDFJOFYZNY-UHFFFAOYSA-N
-rxn:4:213993:225641,CC1CCCN(c2cc(-c3cnc(N4CCN(C)CC4)c(C(=O)OC(C)(C)C)c3)ccn2)C1,YSHQGQZTEOYCRH-UHFFFAOYSA-N
-rxn:4:213993:227765,CN1CCN(c2ncc(-c3ccn(CCC(F)(F)F)n3)cc2C(=O)OC(C)(C)C)CC1,AUTUMICFHGDLKF-UHFFFAOYSA-N
-rxn:4:214012:224321,CC1CCN(S(=O)(=O)c2cccc(-c3ccccc3S(=O)(=O)N3CCC(S(=O)(=O)c4nccn4C)CC3)c2)CC1,AURPVSNAXAOAFB-UHFFFAOYSA-N
-rxn:4:214018:222651,CC(=O)N1N=C(c2ccc(-c3cc(C(=O)NC4CCCCC4)ccc3F)cc2)CC1c1ccc(N(C)C)cc1,SWALOOHIALRWBF-UHFFFAOYSA-N
-rxn:4:214027:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cnc(N4CCCC(C(=O)N5CCOCC5)C4)c(C(F)(F)F)c3)ccn2)CC1,BJBGBRKTZRDRIO-UHFFFAOYSA-N
-rxn:4:214029:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cnc(N4CCCC(C(=O)N5CCSCC5)C4)c(C(F)(F)F)c3)c2Cl)CC1,OBRQPEGYKPTNOF-UHFFFAOYSA-N
-rxn:4:214058:223273,CNC(=O)c1cccc(-c2cncc(C(=O)N3CCC(N4CCC(OC)CC4)CC3)c2)c1F,QWEWRQSHEORHPS-UHFFFAOYSA-N
-rxn:4:214059:223575,CC(C)(C)OC(=O)N1CCN(Cc2ccccc2-c2ccc(N3CCC4(CC3)CN(C(=O)OC(C)(C)C)C4)nc2)CC1,CIXDCXPRNIGSQI-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:4:214064:229090,CC(=O)c1cc(-c2ccc(CN3CCN(S(C)(=O)=O)CC3)c(N3CCOCC3)c2)cs1,DDIISHBAUXKYEU-UHFFFAOYSA-N
-rxn:4:214065:224168,CCN(C(=O)OC(C)(C)C)c1cccc(-c2ccc(C(=O)n3nc(C)c(S(=O)(=O)N4CCC(C)CC4)c3C)cc2)c1,GOYFKCVMFSDSFI-UHFFFAOYSA-N
-rxn:4:214065:224285,Cc1nn(C(=O)c2ccc(-c3ccc(OCCN4CCOCC4)cc3F)cc2)c(C)c1S(=O)(=O)N1CCC(C)CC1,QIXJUYYGUGQCHB-UHFFFAOYSA-N
-rxn:4:214065:224462,Cc1nn(C(=O)c2ccc(-c3ccc(C4CCN(C5CC5)CC4)cc3)cc2)c(C)c1S(=O)(=O)N1CCC(C)CC1,RNVZPSCFBADJAM-UHFFFAOYSA-N
-rxn:4:214083:224770,Cc1cc(-c2ccccc2-c2noc(C3CCN(S(=O)(=O)c4ccc(C)c(C)c4)CC3)n2)cc(S(=O)(=O)N2CCCC2)c1,ONZCGHPJDGNYBZ-UHFFFAOYSA-N
-rxn:4:214146:224718,CC(C)(C)OC(=O)N1CCn2c(nc(C(F)(F)F)c2-c2ccc(OCCN3CCOCC3)nc2)C1,UEXMCHOOWAHQOV-UHFFFAOYSA-N
-rxn:4:214180:223529,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc4cc(C5CN(C(=O)OC(C)(C)C)C5)nn4c3)cc2F)CC1,FSHKZQRBVFBRLM-UHFFFAOYSA-N
-rxn:4:214180:224290,CC(C)(C)OC(=O)N1CC(c2cc3ccc(-c4ccc(Cl)cc4OCCN4CCOCC4)cn3n2)C1,GHSAPRYAMRTHOZ-UHFFFAOYSA-N
-rxn:4:214183:223669,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc4c(C5CN(C(=O)OC(C)(C)C)C5)ncn4c3)cn2)CC1,WJZRJVDKVLYYPU-UHFFFAOYSA-N
-rxn:4:214202:223934,CC(C)(C)OC(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1c1ncc(-c2cc3ccc(F)cc3n2C(=O)OC(C)(C)C)cn1,GKDJPFUMTWGSMC-WGGBDISSSA-N
-rxn:4:214212:224322,CC1CCN(S(=O)(=O)c2ccc(-c3ccc(C(=O)N4CCN(C(=O)c5cc6ccccc6[nH]5)CC4)o3)cc2)CC1,GRURWGFZRIXXTM-UHFFFAOYSA-N
-rxn:4:214333:224082,CCC(C(=O)OC(C)(C)C)c1cccc(-c2ccc3c(C)nc(C4CCN(C(=O)OC(C)(C)C)CC4)nc3c2)c1,VQGUMZOLZZVESK-UHFFFAOYSA-N
-rxn:4:214342:222740,Cc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(-c4cc(C(C)C)nc(C5CCCNC5)c4)cc3)CC2)c2ccccc2n1,JVIKVMPHKKJZHG-UHFFFAOYSA-N
-rxn:4:214379:223311,O=C(c1ccc(-c2cccc(C3CNC3)c2)o1)N1CCN(S(=O)(=O)c2cc3c4c(c2)CCN4C(=O)CC3)CC1,REWXXWAJFQHXLO-UHFFFAOYSA-N
-rxn:4:214379:227157,Cc1cc(-c2ccc(C(=O)N3CCN(S(=O)(=O)c4cc5c6c(c4)CCN6C(=O)CC5)CC3)o2)c2cnn(C)c2c1,NKOCWSIJCGUANL-UHFFFAOYSA-N
-rxn:4:214449:223843,CCN(CC)S(=O)(=O)c1ccc(-c2cnc(Cl)nc2N(C(C)=O)C(C)=O)c(C(F)(F)F)c1,BDXGDFAJPSMHQW-UHFFFAOYSA-N
-rxn:4:214698:222546,CCCc1nc(N2CCN(C)CC2)sc1-c1ccc(OCCNC2CCCCC2)c(F)c1,ZNQCWOPFJKJWKV-UHFFFAOYSA-N
-rxn:4:214707:222943,O=S(=O)(NC1CC1)c1cc(-c2cnn(C3CCN(S(=O)(=O)C4CC4)CC3)c2)ccc1F,RAMUMHBKWJSSJQ-UHFFFAOYSA-N
-rxn:4:214709:222732,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc(C(=O)NC4CCCCC4)cc3)cn2)CC1,GBYZXEWZIOVGEP-UHFFFAOYSA-N
-rxn:4:214709:222735,CCN1CCN(S(=O)(=O)c2ccc(-c3cccc(C(=O)NC4CCCCC4)c3)cn2)CC1,DIWJXNBIMFEYEI-UHFFFAOYSA-N
-rxn:4:214711:222655,CCS(=O)(=O)N1CCN(c2ccc(-c3ccc(C(=O)NC4CCCCC4)c(Cl)c3)cn2)CC1,BGZIURHRINBBQK-UHFFFAOYSA-N
-rxn:4:214711:222656,CCS(=O)(=O)N1CCN(c2ccc(-c3ccc(C(=O)NC4CCCCC4)c(F)c3)cn2)CC1,GVZFOOSYCPCTKG-UHFFFAOYSA-N
-rxn:4:214711:222657,CCS(=O)(=O)N1CCN(c2ccc(-c3ccc(F)c(C(=O)NC4CCCCC4)c3)cn2)CC1,QZKPGOWSYYYYBN-UHFFFAOYSA-N
-rxn:4:214711:224582,CCS(=O)(=O)N1CCN(c2ccc(-c3cccc(N4CCN(C5CC5)CC4)c3)cn2)CC1,PSLJKVKMDNRMSA-UHFFFAOYSA-N
-rxn:4:214712:222540,CN(C)S(=O)(=O)N1CCCC1c1ccc(-c2cccc(C(=O)NCCN3CCCCC3)c2)cn1,QJVCDALCNXLVJW-UHFFFAOYSA-N
-rxn:4:214773:225312,CC(C)N1CCN(S(=O)(=O)c2cncc(-c3cnc(N4CCCN(C)CC4)nc3)c2)CC1,WBWRDPWOHKYRRQ-UHFFFAOYSA-N
-rxn:4:214802:223071,CCS(=O)(=O)NCc1ccc(-c2cccnc2N2CCOC(C(=O)N3CCCC3)C2)cc1,VVHFGCFXZGTWED-UHFFFAOYSA-N
-rxn:4:214805:222404,O=C1NC(=O)C(c2ccc(-c3ccc(N4CCCN(S(=O)(=O)C5CC5)CC4)nc3)cc2)N1,LBLYYMSHHLNAOC-UHFFFAOYSA-N
-rxn:4:214805:225640,CC1CCCCN1c1cc(-c2ccc(N3CCCN(S(=O)(=O)C4CC4)CC3)nc2)ccn1,MVVVIYPAAZHYOK-UHFFFAOYSA-N
-rxn:4:214819:225431,CCOc1ccc(C(C)(C)C)cc1-c1cc(Cl)cnc1N1CCOC(C(=O)N2CCCC2)C1,IACKZSCFESKFHD-UHFFFAOYSA-N
-rxn:4:214829:222828,O=C(C1CN(c2ncccc2-c2cc(F)c(F)cc2S(=O)(=O)NC2CC2)CCO1)N1CCSCC1,ZGIRVZWZRXPVKR-UHFFFAOYSA-N
-rxn:4:214829:222942,O=C(C1CN(c2ncccc2-c2ccc(S(=O)(=O)NC3CC3)c(F)c2)CCO1)N1CCSCC1,ZSEWSEUYZQXKCI-UHFFFAOYSA-N
-rxn:4:214835:224251,CC1CCCN(C(=O)c2ccc(-c3cc(Cl)cnc3N3CCOC(C(=O)N4CCOCC4)C3)c(F)c2)C1,WUCYSVPLRNHHBB-UHFFFAOYSA-N
-rxn:4:214835:226236,CCCCOc1ncc(C)cc1-c1cc(Cl)cnc1N1CCOC(C(=O)N2CCOCC2)C1,NXBORPVKPDMTAQ-UHFFFAOYSA-N
-rxn:4:214836:222987,Cc1nc(C2CCNCC2)ccc1-c1cc(Cl)cnc1N1CCOC(C(=O)N2CCSCC2)C1,LKIBGJQFPQPHMB-UHFFFAOYSA-N
-rxn:4:214836:226981,CCCCCCc1ccsc1-c1cc(Cl)cnc1N1CCOC(C(=O)N2CCSCC2)C1,GZWOOEUMDOJTON-UHFFFAOYSA-N
-rxn:4:214838:223028,CCCNC(=O)c1ccc(F)c(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)c(F)c2)c1,RRQGDMJDOPJAMP-UHFFFAOYSA-N
-rxn:4:214838:223834,Cc1cc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)c(F)c2)cc(C)c1S(=O)(=O)N1CCN(C)CC1,RBLXHINOOQFIOL-UHFFFAOYSA-N
-rxn:4:214838:225636,CC1CCN(c2cc(-c3cnc(N4CCOC(C(=O)N5CCOCC5)C4)c(F)c3)ccn2)CC1,YVHUDJPPYGLHAA-UHFFFAOYSA-N
-rxn:4:214839:226255,CCCCOc1ccc(Cl)cc1-c1cnc(N2CCOC(C(=O)N3CCSCC3)C2)c(F)c1,IDELUBKYDUANHB-UHFFFAOYSA-N
-rxn:4:214839:227213,CCCCSc1cncc(-c2cnc(N3CCOC(C(=O)N4CCSCC4)C3)c(F)c2)c1,JPBPXXKWKNNXKP-UHFFFAOYSA-N
-rxn:4:214851:225674,O=C(c1cncc(-c2cnc(C3CCCCC3)cc2F)c1)N1CCCN(C2CCC2)CC1,PTJOCYNRFRHXEU-UHFFFAOYSA-N
-rxn:4:214852:223071,CCS(=O)(=O)NCc1ccc(-c2cncc(C(=O)N3CCC(N4CCCC4)CC3)c2)cc1,XTOAVPHZHMLUHO-UHFFFAOYSA-N
-rxn:4:214852:224187,O=C(c1cncc(-c2ccc(OCCN3CCCCC3)cc2F)c1)N1CCC(N2CCCC2)CC1,MCVLOOCYCUPQAO-UHFFFAOYSA-N
-rxn:4:214862:226338,O=C(c1cncc(-c2ccnc(OC3CCCC3)c2)c1)N1CCCN(C2CCSC2)CC1,HLEQZINYRUVMDK-UHFFFAOYSA-N
-rxn:4:214865:223071,CCS(=O)(=O)NCc1ccc(-c2cccnc2N2CCCC(C(=O)N3CCOCC3)C2)cc1,BCKBCNHPLXUAMY-UHFFFAOYSA-N
-rxn:4:214868:223071,CCS(=O)(=O)NCc1ccc(-c2cccnc2N2CCOC(C(=O)N3CCCCC3)C2)cc1,DKGCFENPFMVTBG-UHFFFAOYSA-N
-rxn:4:214873:227464,CCCCSc1ncc(-c2cnc(N3CCCC(C(=O)N4CCOCC4)C3)c(F)c2)cn1,SNLQRUGHPPYUDP-UHFFFAOYSA-N
-rxn:4:214874:224672,CCN1CCN(c2ccc(-c3cnc(N4CCOC(C(=O)N5CCCCC5)C4)c(F)c3)c(Cl)c2)CC1,WQHIFNDKQXCOAB-UHFFFAOYSA-N
-rxn:4:214874:225518,CCCCCOc1ncc(C)cc1-c1cnc(N2CCOC(C(=O)N3CCCCC3)C2)c(F)c1,OOYABGLYKNHWGI-UHFFFAOYSA-N
-rxn:4:214890:225231,CC1CCCCN1c1cc(-c2cncc(C(=O)N3CCCN(C4CCSCC4)CC3)c2)cnc1Cl,VPJCOBZVZYRXLE-UHFFFAOYSA-N
-rxn:4:214890:225253,CCOC(=O)c1ccc2ncc(-c3cncc(C(=O)N4CCCN(C5CCSCC5)CC4)c3)cn12,XULKFWVIHFNACO-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:4:215054:225128,COC(=O)C1(c2ccc(F)c(-c3ncn4c3CCN(C(=O)OC(C)(C)C)C4=O)c2)CC1,DCVXBJYUSJYVQP-UHFFFAOYSA-N
-rxn:4:215059:222636,C[C@@H](NC(=O)OC(C)(C)C)c1ccc(-c2cnn3c2CN(C(=O)OC(C)(C)C)CC3)cc1,INGUMWLADGEPBK-MRXNPFEDSA-N
-rxn:4:215068:222637,CC(NC(=O)OC(C)(C)C)c1ccc(-c2cc3n(n2)CCCN3C(=O)OC(C)(C)C)cc1,ZSGJEOPJGIUCCA-UHFFFAOYSA-N
-rxn:4:215101:224751,CC(C)(C)OC(=O)N1CCc2cnc(-c3ccc(F)c(C(=O)N4CCOCC4)c3)n2CC1,WEYCDWDUUKOPGD-UHFFFAOYSA-N
-rxn:4:215114:223651,Cc1ccc2[nH]c(C3CN(C(=O)c4ccc(-c5ccc(C6CCN(C(=O)OC(C)(C)C)C6)nc5C)o4)C3)nc2c1,JMRWGLBDAPLVQV-UHFFFAOYSA-N
-rxn:4:215143:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3ccccc3S(=O)(=O)N3CCn4nc(C5CC5)cc4C3)c2)CC1,SSRWRWDEHAPOOY-UHFFFAOYSA-N
-rxn:4:215232:222957,Cc1cc(-c2ccc3ccc(N4CCCC(C(=O)N5CCOCC5)C4)nc3c2)cc(C2CCCNC2)c1,XFCJKOCZVZQBKV-UHFFFAOYSA-N
-rxn:4:215741:223999,CC1CCN(S(=O)(=O)c2ccc(F)c(-c3c(C(=O)N4CCC(F)(F)C4)cnn3C)c2)CC1,JDKLPRCYDJXZPA-UHFFFAOYSA-N
-rxn:4:215772:223670,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2cncc(N3CCC(C#N)CC3)c2)CC1,ATFURFAOVLFFBL-UHFFFAOYSA-N
-rxn:4:215876:222584,CCc1nc(N2CCN(C)CC2)sc1-c1ccc(OCCCN2CCNCC2)c(F)c1,TWIUUAZRJWODSD-UHFFFAOYSA-N
-rxn:4:215891:224155,CN1CCN(c2cc(-c3cc(N4CCN(C)CC4)ccc3[N+](=O)[O-])cc(C3CC3)c2)CC1,MUGAJFVYWNMDLH-UHFFFAOYSA-N
-rxn:4:215896:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cc([N+](=O)[O-])ccc1N1CCN(C)CC1,LNKGRIVZQQFLSS-UHFFFAOYSA-N
-rxn:4:215907:222541,CN1CCN(S(=O)(=O)c2ccc(-c3ccc(C(=O)NCCN4CCCCC4)cc3)cn2)CC1,WPKZNDBYFWSZLV-UHFFFAOYSA-N
-rxn:4:215907:222621,CC(C)Cc1cc(-c2ccc(S(=O)(=O)N3CCN(C)CC3)nc2)cc(C2CCCNC2)n1,YIRVTYPKROUDKC-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:4:215912:224379,CN1CCN(S(=O)(=O)c2ccccc2-c2cnc(N3CCN(S(C)(=O)=O)CC3)c(Cl)c2)CC1,NUZZHGSQFYAGBU-UHFFFAOYSA-N
-rxn:4:215936:223532,CSc1ncc(-c2cc(F)cc(CN3CCN(C(=O)OC(C)(C)C)CC3)c2)c(N2CC(C)OC(C)C2)n1,PSLRFUGCUXPWHG-UHFFFAOYSA-N
-rxn:4:215939:223635,CC(=O)N1CCCN(c2ncc(Cl)cc2-c2ccc(C3CCN(C(=O)OC(C)(C)C)CC3)cc2)CC1,SYBHAWMJUKNBJP-UHFFFAOYSA-N
-rxn:4:215941:223834,Cc1cc(-c2ccncc2N2CCC(N(C)C)CC2)cc(C)c1S(=O)(=O)N1CCN(C)CC1,OQHFERUFUFKMLT-UHFFFAOYSA-N
-rxn:4:215941:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccncc3N3CCC(N(C)C)CC3)cc2)CC1,BZYWTRAXWFPXER-RQNOJGIXSA-N
-rxn:4:215958:222466,CC(C)N1CCN(c2cncc(-c3cc(C4CCCCC4)nc(C4CCNCC4)c3)c2)CC1,HLHNBBUEQLDXRN-UHFFFAOYSA-N
-rxn:4:215983:223743,Cc1ccc(-c2cnc(N3CCN(C(C)C)CC3)cc2C)cc1OCCCN1CCC(C)CC1,VJGNGAARIFLBHL-UHFFFAOYSA-N
-rxn:4:216055:223526,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3cnc4cnn(CC(F)(F)F)c4c3)cc2)CC1,ZKHDDGZEKBRYRG-UHFFFAOYSA-N
-rxn:4:216196:222723,N#Cc1cc(-c2cccc(NS(=O)(=O)N3CCOCC3)c2)cnc1N1CC2CCCC2C1,UXUWPNNKBISIME-UHFFFAOYSA-N
-rxn:4:216196:224397,N#Cc1cc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)cc2)cnc1N1CC2CCCC2C1,WJVCYUYDAKNKBW-UHFFFAOYSA-N
-rxn:4:216196:224406,N#Cc1cc(-c2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)cnc1N1CC2CCCC2C1,YMVJXNIQZGVPCE-UHFFFAOYSA-N
-rxn:4:217173:223489,CC1CCCN(c2ccnc(-c3ccc(S(=O)(=O)N4CCC(O[Si](C)(C)C(C)(C)C)CC4)cc3)n2)C1,MFNCBHQLQFJUDF-UHFFFAOYSA-N
-rxn:4:217202:223897,Cc1ccc(-c2cnc(N3CCN(C)C(=O)C3)c(C)c2)cc1OCCCN1CCOCC1,SFSIVXXUISPZCH-UHFFFAOYSA-N
-rxn:4:217206:222465,Cc1cc(N2CCC(C)CC2)nc(-c2cc(C3CCCCC3)nc(C3CCCNC3)c2)n1,LZURVPGMBJYDLA-UHFFFAOYSA-N
-rxn:4:217863:223493,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccc2ncnc(N3CCOCC3)c2c1,KDSMAPCWDWSRKI-UHFFFAOYSA-N
-rxn:4:218567:222792,CN(CC1CN(C(=O)OC(C)(C)C)C1)c1cnc(-c2cc(NC(=O)OC(C)(C)C)ccc2F)cn1,HTXMNMQHWWUZPZ-UHFFFAOYSA-N
-rxn:4:218578:223521,CC(c1cccc(-c2cnn(C3(CC#N)CCN(C(=O)OC(C)(C)C)CC3)c2)c1)N1CCN(C(=O)OC(C)(C)C)CC1,NAIBNEHTLGROAD-UHFFFAOYSA-N
-rxn:4:218589:222631,CC(C)(C)c1cc(-c2cnc(OCC3CCCN(S(=O)(=O)c4ccc(C#N)cc4)C3)nc2)cc(C2CCNCC2)n1,QLYMWBCFPAHODV-UHFFFAOYSA-N
-rxn:4:218600:223503,CC(C)(C)OC(=O)N1CCC(Oc2cc(F)c(-c3cnn(CCN4CCN(C(=O)OC(C)(C)C)CC4)c3)c(F)c2)CC1,KYSDZGPSXGWUNI-UHFFFAOYSA-N
-rxn:4:218600:224078,CC(C)(C)OC(=O)N1CCN(CCn2cc(-c3cccc4c3ccn4[Si](C)(C)C(C)(C)C)cn2)CC1,FNOWAIVKAOLREW-UHFFFAOYSA-N
-rxn:4:218641:227449,Cn1cnnc1S(=O)(=O)C1CCN(C(=O)CCc2ccccc2-c2ccc(C3CCOCC3)s2)CC1,SQQUMQTZGMTTEE-UHFFFAOYSA-N
-rxn:4:218652:226716,CN(CC1CCN(C(=O)OC(C)(C)C)CC1)c1cnc(-c2ccn(C(=O)OC(C)(C)C)n2)cn1,BGCFFJOXOVDIOD-UHFFFAOYSA-N
-rxn:4:218652:227493,CC(C)Cc1nc(Cl)ncc1-c1cnc(N(C)CC2CCN(C(=O)OC(C)(C)C)CC2)cn1,PWTJRZOMMGUGAX-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:4:218714:223241,Cc1cc(C)c(S(=O)(=O)N2CCN(C(=O)CCn3nc(C)c(-c4cncc(C5CCNC5)c4)c3C)CC2)c(C)c1,GBPAOLAZUWTUGK-UHFFFAOYSA-N
-rxn:4:218714:224343,Cc1cc(C)c(S(=O)(=O)N2CCN(C(=O)CCn3nc(C)c(-c4cncc(-c5cccc(C(F)(F)F)c5)c4)c3C)CC2)c(C)c1,CCQHJIKYCBNLAS-UHFFFAOYSA-N
-rxn:4:218718:224174,CCN(C(=O)OC(C)(C)C)c1ccc(-c2ccc(-c3c(C)nn4c(CC(=O)OC)c(C(=O)OC)nnc34)cc2)cc1,CJGCSJQZZWLLJZ-UHFFFAOYSA-N
-rxn:4:218754:222787,CC(C)(C)OC(=O)Nc1ccc(-c2csc3c(=O)n(C4CCN(C(=O)OC(C)(C)C)CC4)c(=O)n(CC#N)c23)c(Cl)c1,WMSCHGALRLZENL-UHFFFAOYSA-N
-rxn:4:218831:223830,CCN1CCN(S(=O)(=O)c2cc(-c3cnc(OCC4CCN(C(=O)c5cscn5)CC4)nc3)ccc2C)CC1,DDGVGVZXKDZAAX-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:4:218868:227119,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3cc(C4CCCCC4)cs3)cc2)no1,QGZMLEWOLPLZAX-UHFFFAOYSA-N
-rxn:4:218879:223822,CC(C)(C)COC(=O)c1ccc(C(F)(F)F)cc1-c1cnc(OCC2CCN(C(=O)c3ccccn3)CC2)nc1,VGDXJJXUQIXALT-UHFFFAOYSA-N
-rxn:4:218884:222723,O=C(c1cncc(-c2cccc(NS(=O)(=O)N3CCOCC3)c2)c1)N1CCCC(COc2ncccn2)C1,AFTDLCDNCBFKOX-UHFFFAOYSA-N
-rxn:4:218885:224196,CCN1CCN(Cc2cc(F)cc(-c3cnc(OCC4CCN(C(=O)c5scnc5C)CC4)nc3)c2)CC1,MOPATXJWARQAMT-UHFFFAOYSA-N
-rxn:4:218886:223812,Cc1ncsc1C(=O)N1CCCC(COc2ncc(-c3cc(F)cc(CN4CCC5(CC4)OCCO5)c3)cn2)C1,JABWHBHNTUPFLL-UHFFFAOYSA-N
-rxn:4:218894:223812,N#Cc1cc(-c2cc(F)cc(CN3CCC4(CC3)OCCO4)c2)cnc1N1CCC(COc2ccncc2Cl)CC1,HTQDDPCVVQNIAB-UHFFFAOYSA-N
-rxn:4:218895:224672,CCc1ncnc(OC2CCN(C(=O)c3cncc(-c4ccc(N5CCN(CC)CC5)cc4Cl)c3)C2)c1F,QCTSDMGCJSYGSA-UHFFFAOYSA-N
-rxn:4:218899:224321,CC1CCN(S(=O)(=O)c2cccc(-c3cnc(OC4CCN(S(=O)(=O)c5ccc(C#N)cc5)CC4)nc3)c2)CC1,JYTBSMZDSZISRF-UHFFFAOYSA-N
-rxn:4:218975:222522,COc1ccc(-c2cnc(N3CCC(COc4ncccc4C)CC3)c(C#N)c2)cc1S(=O)(=O)N1CCC(O)CC1,SXSVQFCGGUFCKN-UHFFFAOYSA-N
-rxn:4:218975:223957,Cc1cccnc1OCC1CCN(c2ncc(-c3cc(F)c(CO[Si](C)(C)C(C)(C)C)c(F)c3)cc2C#N)CC1,LWPKYUZKWWYVDW-UHFFFAOYSA-N
-rxn:4:218998:222942,O=C(N1CCOCC1)N1CCCC(COc2ncc(-c3ccc(S(=O)(=O)NC4CC4)c(F)c3)cn2)C1,IBWVLOJTOPEUKG-UHFFFAOYSA-N
-rxn:4:219046:224376,CN1CCN(S(=O)(=O)c2cccc(-c3cnc(OCC4CCCN(C5CCN(C6CC6)C5=O)C4)nc3)c2)CC1,UZXZNGHOPCDDIX-UHFFFAOYSA-N
-rxn:4:219046:225172,O=C1C(N2CCCC(COc3ncc(-c4cc(CN5CCOCC5)ccc4F)cn3)C2)CCN1C1CC1,IPRRQJCMUXMNOQ-UHFFFAOYSA-N
-rxn:4:219062:225264,COC(=O)c1ccc(-c2cccnc2OC2CCN(S(=O)(=O)c3c(C)nn(C(C)C)c3C)C2)cc1C(=O)OC,QOAMIKPFAKJMJR-UHFFFAOYSA-N
-rxn:4:219077:222589,COc1ccc(C(=O)N2CCCN(c3cc(-c4ccc(-c5ccc(OCCN6CCC(O)CC6)c(Cl)c5)cc4)n[nH]3)CC2)cc1F,GMUXAPCIPIYPJX-UHFFFAOYSA-N
-rxn:4:219128:224711,CCCCOc1ccc(C(F)(F)F)cc1-c1cnc(OCC2CCN(Cc3nc4c(s3)CCC4)CC2)nc1,GEFIFOVOAMXXCZ-UHFFFAOYSA-N
-rxn:4:219129:223812,Fc1cc(CN2CCC3(CC2)OCCO3)cc(-c2cnc(OCC3CCCN(Cc4nc5c(s4)CCC5)C3)nc2)c1,QSRDRGSJRZXIAC-UHFFFAOYSA-N
-rxn:4:219184:225877,CCCN1CCN(C(=O)c2cc3n(n2)CC(c2ccc(-c4ccc(Cl)cc4N4CCOCC4)cc2)OC3)CC1,MJXVZYNXXWXTQY-UHFFFAOYSA-N
-rxn:4:219242:223528,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3cnnn3C3CN(C(=O)OC(C)(C)C)C3)ccc2F)CC1,ACFIBAGGOPURDC-UHFFFAOYSA-N
-rxn:4:219312:223529,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cnc(OCC4CCCN(c5nccs5)C4)nc3)cc2F)CC1,FUWIQODZPLAWTI-UHFFFAOYSA-N
-rxn:4:219312:223830,CCN1CCN(S(=O)(=O)c2cc(-c3cnc(OCC4CCCN(c5nccs5)C4)nc3)ccc2C)CC1,FDGVXMNNVPEAHC-UHFFFAOYSA-N
-rxn:4:219353:225456,CN1CCC(c2ccc(-c3cnc(OC4CCN(S(=O)(=O)N(C)C)CC4)nc3)cc2)CC1,WXSUISOQVAVDLV-UHFFFAOYSA-N
-rxn:4:219353:225636,CC1CCN(c2cc(-c3cnc(OC4CCN(S(=O)(=O)N(C)C)CC4)nc3)ccn2)CC1,WMKNLQLMBWQSPT-UHFFFAOYSA-N
-rxn:4:219403:223180,CONC(=O)c1ccc(-c2cnn(CC3CN(C4CCN(C5CC5)C4=O)C3)c2)cc1F,QMWQVDLZJXAEOG-UHFFFAOYSA-N
-rxn:4:219407:223018,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3ccc4c(c3)NC(=O)C(C)(C)O4)cn2)CC1,RUTCMFVLIJHTJK-UHFFFAOYSA-N
-rxn:4:219410:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3cnc(OC4CCN(S(=O)(=O)N5CCOCC5)C4)nc3)cc2)CC1,PBCDATLPBLUSHU-UHFFFAOYSA-N
-rxn:4:219410:226580,CN(C)C(=O)c1ccc(F)c(-c2cnc(OC3CCN(S(=O)(=O)N4CCOCC4)C3)nc2)c1,UHNWJYCVOINQBZ-UHFFFAOYSA-N
-rxn:4:219413:223994,CSc1nc(C)cc(N2CCC(Oc3ccncc3-c3cc(S(=O)(=O)N4CCN(C)CC4)ccc3C)C2)n1,GRBAMJPSHOHHSJ-UHFFFAOYSA-N
-rxn:4:219419:225264,COC(=O)c1ccc(-c2ccc(C(=O)N3CCN(c4cc(C(F)(F)F)nc(C)n4)CC3)o2)cc1C(=O)OC,NUIDVGXSCBEBQA-UHFFFAOYSA-N
-rxn:4:219452:223687,Cc1nc(-c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2)n(C2CCN(C(=O)OC(C)(C)C)CC2)n1,IJSLMDDGEWHNPT-UHFFFAOYSA-N
-rxn:4:219462:227794,O=[N+]([O-])c1cc(Cl)c(F)c(-c2cnc(OC3CCCN(S(=O)(=O)N4CCCC4)C3)nc2)c1,YWTYFPWHXSTJGW-UHFFFAOYSA-N
-rxn:4:219471:223945,CSc1ncc(-c2ccc(OCCCN3CCOCC3)c(F)c2)c(N2CCOC(C(=O)N3CCCC3)C2)n1,STSASGIRRDUSFC-UHFFFAOYSA-N
-rxn:4:219471:225329,CSc1ncc(-c2ccc(OCC(F)(F)F)c(C#N)c2)c(N2CCOC(C(=O)N3CCCC3)C2)n1,VAMFHBSPICSLEO-UHFFFAOYSA-N
-rxn:4:219495:222612,O=S(=O)(c1ccc(F)c(-c2cnccc2OC2CCN(c3cc(C4CCC4)ncn3)C2)c1)N1CCC(O)CC1,CISWCTQLHRTYBB-UHFFFAOYSA-N
-rxn:4:219501:223695,CSc1ncc(-c2cccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)c(N2CCOC(C(=O)N3CCOCC3)C2)n1,JSATTZOFZHODJG-UHFFFAOYSA-N
-rxn:4:219530:222634,O=C1C(N2CCC(Oc3ncc(-c4ccc(OCCNC5CCCC5)c(F)c4)cn3)CC2)CCN1C1CC1,BYLQSIQJYHZWTA-UHFFFAOYSA-N
-rxn:4:219534:225286,CC(C)(C)OC(=O)c1cnc(F)cc1-c1cncc(C(=O)N2CCC(n3nc(C4CC4)ccc3=O)CC2)c1,NRCYZXZNHGPJGL-UHFFFAOYSA-N
-rxn:4:219540:224756,Cc1cc(N(C)C2CCN(C(=O)c3ccccc3-c3cc(F)ccc3C(=O)N3CCOCC3)CC2)ncn1,XGTPJSSCVAEQHN-UHFFFAOYSA-N
-rxn:4:219543:223839,COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1ccc(S(=O)(=O)N2CCN(c3nc(C)cc(C)c3C#N)CC2)cc1,OLSKNJCFWZATCX-UHFFFAOYSA-N
-rxn:4:219565:222702,Cc1cc(C)c(C#N)c(N2CCCN(S(=O)(=O)c3ccc(-c4cc(C5CCCNC5)ccc4C(F)(F)F)cc3)CC2)n1,QZVJFRQTMREYKQ-UHFFFAOYSA-N
-rxn:4:219639:223573,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc4nc(C5CCN(C(=O)OC(C)(C)C)C5)nn4c3)cc2)CC1,XNZXOOQPKXBNFY-UHFFFAOYSA-N
-rxn:4:219639:223930,Cc1cc2c(cnn2C(=O)OC(C)(C)C)cc1-c1ccc2nc(C3CCN(C(=O)OC(C)(C)C)C3)nn2c1,GFYVCBZLNKUBQT-UHFFFAOYSA-N
-rxn:4:219654:224196,CCN1CCN(Cc2cc(F)cc(-c3cc4c(N5CCN(C(=O)OC(C)(C)C)CC5)ncnc4s3)c2)CC1,NMXZKXCYDVFEMP-UHFFFAOYSA-N
-rxn:4:219687:223775,COc1ccc2c(c1)c(-c1ccc3nnn(C4CCN(C(=O)OC(C)(C)C)CC4)c3c1)cn2C(=O)OC(C)(C)C,YPCPFTGQOSOIET-UHFFFAOYSA-N
-rxn:4:219692:223823,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cn(C4CCN(C(=O)OC(C)(C)C)CC4)c4nc(Cl)ncc34)cn2)CC1,WZCVQEPHTNZJAB-UHFFFAOYSA-N
-rxn:4:219742:225758,CC(C)(C)OC(=O)c1cnccc1-c1cncc(C(=O)N2CCC(Cn3nc4c(cc3=O)CCC4)CC2)c1,SDDFMURJQBIUPH-UHFFFAOYSA-N
-rxn:4:219759:224759,CCN1CCN(C(=O)c2cc3n(n2)CC(c2ccc(-c4cc(F)cc(C(=O)N5CCOCC5)c4)cc2)OC3)CC1,CDRROKAXXZLARP-UHFFFAOYSA-N
-rxn:4:219840:223823,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cnc(N4CCN(CCF)CC4)nc3)cn2)CC1,HDNRZLIREYAHEL-UHFFFAOYSA-N
-rxn:4:219891:222428,COc1ccc(CNS(=O)(=O)c2c(C)cc(-c3cnn(CC4CN(C5CCN(C)C5=O)C4)c3)cc2C)cc1,FYIIADDOZWOJIT-UHFFFAOYSA-N
-rxn:4:219903:225087,CC(C)N1CCN(c2ncc(-c3ccc(OCCCN(C)C)c(F)c3)cc2[N+](=O)[O-])CC1,NLIMDVONOSDMIG-UHFFFAOYSA-N
-rxn:4:219905:222693,N#Cc1cc(-c2ccc(S(=O)(=O)NC3CCCCC3)cc2)cnc1N1CCN(C2CCC2)CC1,JIILRBQWPVJWIX-UHFFFAOYSA-N
-rxn:4:219909:223595,Cn1cnc(N2CCC(Oc3ccncc3-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)c(F)c3)C2)cc1=O,FHXJPZOLNFUSSF-UHFFFAOYSA-N
-rxn:4:219931:222700,O=S(=O)(C1CC1)N1CCCN(c2ncc(-c3ccc(C(F)(F)F)cc3C3CCCNC3)cn2)CC1,JXVSBLOEPOAWMI-UHFFFAOYSA-N
-rxn:4:219938:222465,O=S(=O)(c1ccc(-c2cc(C3CCCCC3)nc(C3CCCNC3)c2)cc1)N1CCN(c2cnccn2)CC1,MXTRMOMQULCFLE-UHFFFAOYSA-N
-rxn:4:219938:223842,CC1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2ccc(S(=O)(=O)N3CCN(c4cnccn4)CC3)cc2)CC1,OYWDAAAQSPHHLB-UHFFFAOYSA-N
-rxn:4:219991:224645,COc1cc(C(=O)N2CCCC2)ccc1-c1cncc(C(=O)N2CCC(N3CC(=O)N(C)C3=O)CC2)c1,SXIUXFGGKIVOFU-UHFFFAOYSA-N
-rxn:4:219991:225267,CCCOc1ccc(-c2cncc(C(=O)N3CCC(N4CC(=O)N(C)C4=O)CC3)c2)c(C(F)(F)F)c1,BMNHHSKPPOKQLP-UHFFFAOYSA-N
-rxn:4:219991:225909,CCOc1ccc(-c2cncc(C(=O)N3CCC(N4CC(=O)N(C)C4=O)CC3)c2)c(C(F)(F)F)c1,VESPVLPNYMHIDZ-UHFFFAOYSA-N
-rxn:4:219991:228424,COc1cc(F)c(Cl)cc1-c1cncc(C(=O)N2CCC(N3CC(=O)N(C)C3=O)CC2)c1,QXGZZZSYBIGUIE-UHFFFAOYSA-N
-rxn:4:220041:224280,CC(C)(C)OC(=O)N1CCc2sc(-c3nnn4c3CN(C(=O)OC(C)(C)C)CC4)cc2C1,JJWDKUADIXSOPC-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:4:220228:222546,Cc1nc(-c2c3n(c(=O)n(Cc4cccc(-c5ccc(OCCNC6CCCCC6)c(F)c5)c4)c2=O)CCCCC3)no1,UETWXYUQHQDMKA-UHFFFAOYSA-N
-rxn:4:220405:223572,CC1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCC(N5CCOC5=O)C4)nc3)c3ccccc23)CC1,GVWWQFRVSOHNIC-UHFFFAOYSA-N
-rxn:4:220531:223660,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cnc(N4CCC(c5noc6cc(F)ccc56)CC4)nc3)s2)CC1,XBGXQPNLGHHVJJ-UHFFFAOYSA-N
-rxn:4:220810:223489,CN1CCN(c2cc(-c3ccc(S(=O)(=O)N4CCC(O[Si](C)(C)C(C)(C)C)CC4)cc3)ncn2)CC1,YQPGUFZVSFBHNL-UHFFFAOYSA-N
-rxn:4:220811:223531,CN1CCN(c2ccc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)c(Cl)c3)nn2)CC1,CWTBVUZUQWDNGH-UHFFFAOYSA-N
-rxn:4:220936:223596,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)ccc2-c2cn3ccnc3c(N3CCOCC3)n2)CC1,HZQFZMJUHOCJFX-UHFFFAOYSA-N
-rxn:4:221090:224250,CCOC(=O)c1cnc(N2CCCC2)nc1Cn1cc(-c2cc(C(=O)N3CCCCC3C)ccc2F)cn1,RGPUBGZWBPRVGP-UHFFFAOYSA-N
-rxn:4:221114:225071,CCOc1ccc(-c2ccc(-c3ccc(Cl)cc3)c(F)c2)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N3CCCC3)n2)CC1,FGGMARGELXSLKW-UHFFFAOYSA-N
-rxn:4:221116:227616,CCOc1ccc(-c2ccc(-n3cc(C)cn3)s2)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N3CCCCC3)n2)CC1,MPDSKJNQSDUSOD-UHFFFAOYSA-N
-rxn:4:221116:228967,CCOc1ccc(-c2cn(C)nc2C(F)F)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N3CCCCC3)n2)CC1,HWSSRSKMBPVMDL-UHFFFAOYSA-N
-rxn:4:221127:223832,CCOC(=O)C1CCN(c2nc3c(S(=O)(=O)c4ccc(-c5cc(S(=O)(=O)N6CCC(C)CC6)ccc5OC)cc4)nnn3c3ccsc23)CC1,KIKJHJMTNWDRDL-UHFFFAOYSA-N
-rxn:4:221154:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cnc(OCC4CCCN(c5cccnc5C#N)C4)nc3)ccn2)CC1,GQARWKBNIHDKND-UHFFFAOYSA-N
-rxn:4:221169:224569,Cn1cc(S(=O)(=O)N2CCCC(COc3ncc(-c4cc(F)cc(OCC5CCCCC5)c4)cn3)C2)cn1,FZAYISOAJFRXQJ-UHFFFAOYSA-N
-rxn:4:221173:224196,CCN1CCN(Cc2cc(F)cc(-c3cnc(OCC4CCCN(C(=O)c5ccc(=O)n(C)n5)C4)nc3)c2)CC1,SXLYKDLBKUWWEV-UHFFFAOYSA-N
-rxn:4:221204:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(CCN2CCN(c3nccc(N4CCOCC4)n3)CC2)cc1,QJHRDDBVLVANJF-UHFFFAOYSA-N
-rxn:4:221205:222719,FC(F)(F)c1cc(-c2ccc(CCN3CCN(c4ccnc(N5CCOCC5)n4)CC3)cc2)cc(C2CCCNC2)n1,XDFAOILFGCZXLK-UHFFFAOYSA-N
-rxn:4:221205:223140,c1cc(-c2ccc(CCN3CCN(c4ccnc(N5CCOCC5)n4)CC3)cc2)cc(C2CCCNC2)n1,LJHRZBQNHDBMSY-UHFFFAOYSA-N
-rxn:4:221208:225320,Cc1cc(N2CCN(CCc3ccc(-c4ccc(N5CCOCC5)c(F)c4F)cc3)CC2)nc(N2CCOCC2)n1,IAHXCFXPIJSAPC-UHFFFAOYSA-N
-rxn:4:221230:223074,N#Cc1cc2c(nc1N1CCCC(COc3ncc(-c4cccc(NS(=O)(=O)C5CC5)c4)cn3)C1)CCC2,WYYODXMFUQATSB-UHFFFAOYSA-N
-rxn:4:221230:224820,N#Cc1cc2c(nc1N1CCCC(COc3ncc(-c4cccc(S(=O)(=O)N5CCOCC5)c4)cn3)C1)CCC2,QFLOVDILNKSWHG-UHFFFAOYSA-N
-rxn:4:221233:222546,Cc1cn2nc(OCC3CCN(C(=O)c4cncc(-c5ccc(OCCNC6CCCCC6)c(F)c5)c4)CC3)ccc2n1,YGDBZUIDUHONCP-UHFFFAOYSA-N
-rxn:4:221243:223945,CN(C(=O)Cn1ncn2nc(-c3ccc(-c4ccc(OCCCN5CCOCC5)c(F)c4)cc3)cc2c1=O)C1CCCCC1,LSTJHSPXPQOVEL-UHFFFAOYSA-N
-rxn:4:221249:222791,CC(C)(C)OC(=O)Nc1ccc(Cl)c(-c2cnn3cc(-c4ccc(N5CCN(C(=O)OC(C)(C)C)CC5)cc4)cnc23)c1,PTFCIUFEEJXSTI-UHFFFAOYSA-N
-rxn:4:221251:224203,COc1cc(C(=O)N2CCCCC2)ccc1-c1ccc(-c2cc(N3CCCN(C(=O)Cc4c[nH]c5ccccc45)CC3)[nH]n2)cc1,ZQPLSFBQSVGFRY-UHFFFAOYSA-N
-rxn:4:221263:225984,CCOC(=O)Cn1c(=O)c2c(nc3n2CCCN3c2ccc(-c3cnc(Cl)c(N4CCOCC4)c3)cc2)n(C)c1=O,JKPNNTUCFNKEIO-UHFFFAOYSA-N
-rxn:4:221334:223679,CCN1CCN(S(=O)(=O)c2c(C)cc(-c3ccc(Cl)c(C(=O)N4CC(c5nc(-c6ncccn6)no5)C4)c3)cc2C)CC1,NKTLUMWZGKFFLA-UHFFFAOYSA-N
-rxn:4:221341:223689,CCN1CCN(S(=O)(=O)c2cc(-c3cnc(OCC4CCCN(c5cnccn5)C4)nc3)ccc2OC)CC1,JWAHZVUUPRJZEJ-UHFFFAOYSA-N
-rxn:4:221345:223533,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cnc(OCC4CCN(c5ncc(Cl)cn5)CC4)nc3)c(F)c2)CC1,PJYQWDRKMVYJBB-UHFFFAOYSA-N
-rxn:4:221347:223530,CC(C)(C)OC(=O)N1CCN(Cc2ccc(F)cc2-c2cnc(OCC3CCN(c4ncc(F)cn4)CC3)nc2)CC1,REBVAETWBKPDCP-UHFFFAOYSA-N
-rxn:4:221347:223694,CCN1CCN(S(=O)(=O)c2cc(-c3cnc(OCC4CCN(c5ncc(F)cn5)CC4)nc3)c(F)cc2C)CC1,BXBKCYKIOXQDRF-UHFFFAOYSA-N
-rxn:4:221347:223904,CC(C)(C)OC(=O)N1CC(c2cccc(-c3cnc(OCC4CCN(c5ncc(F)cn5)CC4)nc3)c2)C1,IZSIFRCXJRNLCK-UHFFFAOYSA-N
-rxn:4:221351:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3cnc(N4CC(Cn5nc(C6CC6)ccc5=O)C4)nc3)c2)CC1,LERKBXVNBMIBCJ-UHFFFAOYSA-N
-rxn:4:221351:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CC(Cn5nc(C6CC6)ccc5=O)C4)nc3)cc2)CC1,UJDMHDMTXZYHJH-UHFFFAOYSA-N
-rxn:4:221352:223523,CCN1CCN(S(=O)(=O)c2ccc(-c3cnc(OC4CCN(c5nc(C6CC6)ns5)CC4)nc3)c3ccccc23)CC1,FTVMJXXISXICAQ-UHFFFAOYSA-N
-rxn:4:221382:223539,COc1ccc(-c2cncc(C(=O)N3CCN(c4ccc(C5CC5)nn4)CC3)c2)cc1S(=O)(=O)N1CCC2(CC1)OCCO2,LAUGPGJYMXSEOJ-UHFFFAOYSA-N
-rxn:4:221382:223649,CC(C)(C)OC(=O)N1CCN(c2cccc(-c3cncc(C(=O)N4CCN(c5ccc(C6CC6)nn5)CC4)c3)c2)CC1,QTVPIISJUIRDJB-UHFFFAOYSA-N
-rxn:4:221382:224368,CN(C(=O)OC(C)(C)C)c1cc(-c2cncc(C(=O)N3CCN(c4ccc(C5CC5)nn4)CC3)c2)cnc1Cl,BYGPFGCKDZRJNE-UHFFFAOYSA-N
-rxn:4:221394:224773,Cc1cc(-c2cnc(N3CCC(Cn4nc(C5CC5)ccc4=O)CC3)nc2)ccc1S(=O)(=O)N1CCCC1,RKIIBVOEUCURDD-UHFFFAOYSA-N
-rxn:4:221395:224376,CN1CCN(S(=O)(=O)c2cccc(-c3cnc(N4CCC(Cn5cnc(C6CC6)cc5=O)CC4)nc3)c2)CC1,KCTTYWVPZBPGAN-UHFFFAOYSA-N
-rxn:4:221395:224377,CN1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCC(Cn5cnc(C6CC6)cc5=O)CC4)nc3)cc2)CC1,AUISODZDHVABJJ-UHFFFAOYSA-N
-rxn:4:221415:222833,Cc1cc(N(C)C)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccc(NC(=O)CCC(C)C)c4)cc3)CC2)n1,XZSYZMALZBAAKR-UHFFFAOYSA-N
-rxn:4:221425:222833,CC(C)CCC(=O)Nc1cccc(-c2cccc(CN3CCN(c4nccc(N5CCOCC5)n4)CC3)c2)c1,HIOYODMPAVKRSZ-UHFFFAOYSA-N
-rxn:4:221428:222833,CC(C)CCC(=O)Nc1cccc(-c2ccc(CN3CCN(c4ccc(N5CCOCC5)nn4)CC3)cc2)c1,QPDOWVJGARZGFO-UHFFFAOYSA-N
-rxn:4:221432:222522,COc1ccc(-c2cccc(C(=O)N3CCN(c4nc(C)cc(N5CCCC5)n4)CC3)c2)cc1S(=O)(=O)N1CCC(O)CC1,KTQXYKHTTVKEQD-UHFFFAOYSA-N
-rxn:4:221432:224330,Cc1cc(N2CCCC2)nc(N2CCN(C(=O)c3cccc(-c4ccc(Cl)c(C(=O)N5CCC(=O)CC5)c4)c3)CC2)n1,DDRMLGXMYORAOD-UHFFFAOYSA-N
-rxn:4:221432:224771,Cc1cc(N2CCCC2)nc(N2CCN(C(=O)c3cccc(-c4ccc(C)c(S(=O)(=O)N5CCCC5)c4)c3)CC2)n1,ZNJRMJNOUFDBHY-UHFFFAOYSA-N
-rxn:4:221440:222833,Cc1cc(N2CCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccc(NC(=O)CCC(C)C)c4)cc3)CC2)n1,IGUSGCYHTJBAMA-UHFFFAOYSA-N
-rxn:4:221440:224376,Cc1cc(N2CCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccc(S(=O)(=O)N5CCN(C)CC5)c4)cc3)CC2)n1,CBRDQOVYPKKTAV-UHFFFAOYSA-N
-rxn:4:221444:222844,Cc1cc(N2CCOCC2)nc(N2CCN(Cc3ccccc3-c3cccc(NC(=O)C4CCCC4)c3)CC2)n1,WELMDWGRMSPOLO-UHFFFAOYSA-N
-rxn:4:221447:223505,Cc1cc(N2CCN(Cc3ccc(-c4ccc(S(=O)(=O)N5CCN(C(=O)OC(C)(C)C)CC5)cc4)cc3)CC2)nc(N2CCOCC2)n1,YFGPMCRCHLKDCE-UHFFFAOYSA-N
-rxn:4:221449:223058,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(F)nc(C5CCCNC5)c4)cc3)CC2)n1,WHMXYUANRUCLHL-UHFFFAOYSA-N
-rxn:4:221498:225978,CC(C)(C)OC(=O)N1CCN(c2ncnc3[nH]cc(-c4ccc(N5CCOCC5)nc4F)c23)CC1,KVOCBIWIAMPPBD-UHFFFAOYSA-N
-rxn:4:221616:223481,Cc1cc(N2CC(Cn3cc(-c4ccc(S(=O)(=O)N5CCC(O[Si](C)(C)C(C)(C)C)CC5)cc4F)cn3)C2)nc(C)n1,FSQXSCNSCRSZCN-UHFFFAOYSA-N
-rxn:4:221628:223523,CCN1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCC(c5nnc(C6CC6)o5)CC4)nc3)c3ccccc23)CC1,ANDOLWCZUFSFQS-UHFFFAOYSA-N
-rxn:4:221641:222432,O=c1ccc(C2CC2)nn1C1CCN(c2ncc(-c3ccc(S(=O)(=O)NC4CCCCC4)c4ccccc34)cn2)CC1,XVOTWTBKOSWQLW-UHFFFAOYSA-N
-rxn:4:221641:223945,O=c1ccc(C2CC2)nn1C1CCN(c2ncc(-c3ccc(OCCCN4CCOCC4)c(F)c3)cn2)CC1,DMAQHCNRUFRNEN-UHFFFAOYSA-N
-rxn:4:221641:223993,Cc1cc(-c2cnc(N3CCC(n4nc(C5CC5)ccc4=O)CC3)nc2)ccc1S(=O)(=O)N1CCN(C)CC1,RQFOGNCDKKREPZ-UHFFFAOYSA-N
-rxn:4:221641:223998,CC1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCC(n5nc(C6CC6)ccc5=O)CC4)nc3)cc2F)CC1,CEOAKDNZIDFOBE-UHFFFAOYSA-N
-rxn:4:221704:223761,CC(C)(C)OC(=O)N1CCCC1c1ccc(-c2ccccc2-c2nn3c(CN4CCCCCC4)nnc3s2)cc1,SGOZEYQKYXOIQY-UHFFFAOYSA-N
-rxn:4:221721:223529,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cnc(N4CCC(Cn5cnc6ccccc6c5=O)CC4)nc3)cc2F)CC1,OOKZHZGUONQBGM-UHFFFAOYSA-N
-rxn:4:221723:223490,Cc1ccc(-c2cnc(N3CCC(Cn4nc5c(cc4=O)CCC5)CC3)nc2)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,IQZSDRMGQSWVAP-UHFFFAOYSA-N
-rxn:4:221726:223058,CN(C1=NS(=O)(=O)c2ccccc21)C1CCN(c2ncc(-c3cc(F)nc(C4CCCNC4)c3)cn2)CC1,VXHOUMFFUROUTG-UHFFFAOYSA-N
-rxn:4:221726:224966,CN(C1=NS(=O)(=O)c2ccccc21)C1CCN(c2ncc(-c3ccc(OCC4CCOCC4)cc3)cn2)CC1,ZNSBJGVNGYJQPG-UHFFFAOYSA-N
-rxn:4:221726:225312,CN1CCCN(c2ncc(-c3cnc(N4CCC(N(C)C5=NS(=O)(=O)c6ccccc65)CC4)nc3)cn2)CC1,ISHJBRKVBOCDAM-UHFFFAOYSA-N
-rxn:4:221726:225640,CC1CCCCN1c1cc(-c2cnc(N3CCC(N(C)C4=NS(=O)(=O)c5ccccc54)CC3)nc2)ccn1,GKGOUSGJPWHVAM-UHFFFAOYSA-N
-rxn:4:221726:225654,CC1CCCN(c2ccc(-c3cnc(N4CCC(N(C)C5=NS(=O)(=O)c6ccccc65)CC4)nc3)cn2)C1,JVBNVTJJFMYGAL-UHFFFAOYSA-N
-rxn:4:221726:226583,CN(C1=NS(=O)(=O)c2ccccc21)C1CCN(c2ncc(-c3ccc(CN4CCOCC4)s3)cn2)CC1,WGGQBZQJPHUKOH-UHFFFAOYSA-N
-rxn:4:221828:223533,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cnc(N4CCN(c5nc6ccccc6o5)CC4)nc3)c(F)c2)CC1,ZHEVXZILJOEOEO-UHFFFAOYSA-N
-rxn:4:221836:222723,O=S1(=O)N=C(N2CCCN(c3ncc(-c4cccc(NS(=O)(=O)N5CCOCC5)c4)cn3)CC2)c2ccccc21,OCPYGLQJEKELBC-UHFFFAOYSA-N
-rxn:4:221935:223753,Cc1ccc(-c2cnc(OCC3CCCN(c4nccnc4C#N)C3)nc2)cc1OCCCN1CCN(C)CC1,TVHARXGJKHAKMX-UHFFFAOYSA-N
-rxn:4:221935:223998,CC1CCN(S(=O)(=O)c2ccc(-c3cnc(OCC4CCCN(c5nccnc5C#N)C4)nc3)cc2F)CC1,DMFZKFZPPPCXBN-UHFFFAOYSA-N
-rxn:4:221935:224301,CC(C)(C)[Si](C)(C)Oc1cc(F)c(F)c(-c2cnc(OCC3CCCN(c4nccnc4C#N)C3)nc2)c1,CXALVVINBQEBNG-UHFFFAOYSA-N
-rxn:4:221951:223503,COc1nccnc1N(C)CC1CCN(c2ncc(-c3c(F)cc(OC4CCN(C(=O)OC(C)(C)C)CC4)cc3F)cn2)CC1,GLQLOVCBWIKEMG-UHFFFAOYSA-N
-rxn:4:221976:224320,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5cccc(-c6cc(S(=O)(=O)N7CCCCC7)ccc6C)c5)no4)C3C2=O)cc1,IFHZWWBPNCSFMK-UHFFFAOYSA-N
-rxn:4:221977:222713,COc1ccc(S(=O)(=O)NC(C)(C)C)c(-c2cnc(OCC3CCCN(c4nccn5nc(C6CC6)cc45)C3)nc2)c1,DFTKRSGSQAAJEJ-UHFFFAOYSA-N
-rxn:4:221980:225174,CC(C)(C)OC(=O)N1CCN(c2cc(=O)n3nc(-c4cncc(-c5ccc(F)cc5CN5CCOCC5)c4)sc3n2)CC1,KCRGIJPBGJBSSM-UHFFFAOYSA-N
-rxn:4:221980:225875,CC(C)(C)OC(=O)N1CCN(c2cc(=O)n3nc(-c4cncc(-c5ccc(N6CCOCC6)cc5Cl)c4)sc3n2)CC1,MJUFWQOZSWNKIY-UHFFFAOYSA-N
-rxn:4:221982:223603,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(OCc7cccnc7)c(OC(F)(F)F)cc6Cl)cc5)no4)C3C2=O)cc1,ZINAXRPPDAGEFQ-UHFFFAOYSA-N
-rxn:4:221982:224243,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(F)cc(C(=O)N7CCCCC7C)c6)cc5)no4)C3C2=O)cc1,PCBRGOGYHYXNAL-UHFFFAOYSA-N
-rxn:4:221985:223084,Cn1cc(-c2nc3cnc(-c4cnc(N5CCC(O)CC5)nc4)cc3n2[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cn1,IQZQGYJEGKSSEG-OAQYLSRUSA-N
-rxn:4:221985:224277,Cn1cc(-c2nc3cnc(-c4ccnc5c4ccn5C(=O)OC(C)(C)C)cc3n2[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cn1,XBDJPVSOSKOQKA-OAQYLSRUSA-N
-rxn:4:221996:223591,CC(C)(C)OC(=O)N1CCN(c2ccc(F)c(-c3cnn(CC4CN(c5nccnc5C#N)C4)c3)c2)CC1,IUCYNXMTNLEKDL-UHFFFAOYSA-N
-rxn:4:222015:223832,COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1-c1ccc(C(=O)N2CCN(c3cc(-n4ccnc4C)ncn3)CC2)o1,URDSBJVCROQNSF-UHFFFAOYSA-N
-rxn:4:222028:225008,COC1CCN(c2ccc(-c3cnc(N4CCN(c5ccc(N(C)C)nn5)CC4)c(C(F)(F)F)c3)cc2)CC1,KXOBAYZQNLYSLI-UHFFFAOYSA-N
-rxn:4:222031:223558,CN(C)c1nccc(N2CCN(c3ncc(C(F)(F)F)cc3-c3ccc4c(c3)CCN(C(=O)OCc3ccccc3)C4)CC2)n1,OIMUQUVIKBYNLF-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:4:222039:224072,COCCCOc1ccc2cc(-c3ccc(-n4cnnn4)c(C(=O)N4CCN(C5CCS(=O)(=O)C5)CC4)c3)ccc2c1,DSTHGNYUWBQJLM-UHFFFAOYSA-N
-rxn:4:222044:222702,Cc1ccn(-c2ccc(N3CCN(S(=O)(=O)c4ccc(-c5cc(C6CCCNC6)ccc5C(F)(F)F)cc4)CC3)nn2)n1,KJJKQANUXDOLMH-UHFFFAOYSA-N
-rxn:4:222053:224819,CCc1cc(N2CCN(c3ncc(-c4ccc(S(=O)(=O)N5CCOCC5)cc4)cn3)CC2)nc(C(C)(C)C)n1,UHCIFYUHZNWKED-UHFFFAOYSA-N
-rxn:4:222057:223954,Cc1nn(-c2ccc(N3CCN(C(=O)c4ccccc4-c4ccc(OCCN5CCC(=O)CC5)c(F)c4)CC3)nn2)c(C)c1C,QZKAPHHDKVIPRJ-UHFFFAOYSA-N
-rxn:4:222061:222943,Cc1nn(-c2ccc(N3CCN(S(=O)(=O)c4cccc(-c5ccc(F)c(S(=O)(=O)NC6CC6)c5)c4)CC3)nn2)c(C)c1C,NQSHJLFNEPOZJE-UHFFFAOYSA-N
-rxn:4:222075:223594,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)cc(-c3cnn(CC4CN(c5nccn6nc(C7CC7)cc56)C4)c3)c2)CC1,BVRIQAAXHXDLCY-UHFFFAOYSA-N
-rxn:4:222077:223530,CC(C)(C)OC(=O)N1CCN(Cc2ccc(F)cc2-c2cnc(OCC3CCCN(c4nccn5nccc45)C3)nc2)CC1,SKPPHJCXULLSLT-UHFFFAOYSA-N
-rxn:4:222094:223999,CC1CCN(S(=O)(=O)c2ccc(F)c(-c3cnc(OCC4CCCN(c5nc6cccnc6n5C)C4)nc3)c2)CC1,NJIWOYFVZWOTOP-UHFFFAOYSA-N
-rxn:4:222096:223999,CC1CCN(S(=O)(=O)c2ccc(F)c(-c3cnc(OCC4CCN(c5nc6cccnc6n5C)CC4)nc3)c2)CC1,VRHSMGMBFDXSQU-UHFFFAOYSA-N
-rxn:4:222149:223994,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cnc(N2CCN(c3nccc(C(F)(F)F)n3)CC2)nc1,YUNJUOYZXFEFDZ-UHFFFAOYSA-N
-rxn:4:222167:222538,Cc1nc(C2CC2)nc(N2CCN(c3ncc(-c4cc(C5CCCC5)nc(C5CCNCC5)c4)cn3)CC2)c1C,FATRSJZWHRWDCH-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:4:222303:223842,CC1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2cnc(OCC3CCCN(c4ncnc5c4cnn5C)C3)nc2)CC1,VHTFZQKJAHBORV-UHFFFAOYSA-N
-rxn:4:222303:223998,CC1CCN(S(=O)(=O)c2ccc(-c3cnc(OCC4CCCN(c5ncnc6c5cnn6C)C4)nc3)cc2F)CC1,OVKUDFWSMLSSNU-UHFFFAOYSA-N
-rxn:4:222334:222630,Cc1cc(N2CCCC2)nc(N2CCN(c3ncc(-c4cc(C5CCC5)nc(C5CCNCC5)c4)cn3)CC2)n1,FFWBJRBCSSGQAW-UHFFFAOYSA-N
-rxn:4:222334:223658,Cc1cc(N2CCCC2)nc(N2CCN(c3ncc(-c4ccc(S(=O)(=O)N5CCOCC5)c5ccccc45)cn3)CC2)n1,OMYGZRXPFZEYQA-UHFFFAOYSA-N
-rxn:4:222336:223648,Cc1cc(C)n(-c2ccc(=O)n(C3CCN(c4ncc(-c5ccc(N6CCN(C(=O)OC(C)(C)C)CC6)cc5)cn4)CC3)n2)n1,QDXMDKDYNUZXLT-UHFFFAOYSA-N
-rxn:4:222338:222988,Cc1cc(-c2cnc(N3CCN(c4cc(N5CCOCC5)nc(C)n4)CC3)nc2)cc(C2CCNCC2)n1,LOONNFZYWAHDTP-UHFFFAOYSA-N
-rxn:4:222354:223533,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cnc(N4CCN(c5ncnc6cc[nH]c56)CC4)nc3)c(F)c2)CC1,FHXJKDWBJVPOHQ-UHFFFAOYSA-N
-rxn:4:222367:224624,CC(C)(C)COC(=O)c1ccc(Cl)cc1-c1cnc(N2CCN(c3ncnc4c3ncn4CC3CCCO3)CC2)nc1,HQVUXSSDCZMYEM-UHFFFAOYSA-N
-rxn:4:222379:223531,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cnc(N4CCN(c5ncnc6c5ncn6C5CC5)CC4)nc3)cc2Cl)CC1,NEANUJNCEMZDDL-UHFFFAOYSA-N
-rxn:4:222379:223595,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(N4CCN(c5ncnc6c5ncn6C5CC5)CC4)nc3)cc2F)CC1,XISGAUNLYMEKAF-UHFFFAOYSA-N
-rxn:4:222379:223660,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cnc(N4CCN(c5ncnc6c5ncn6C5CC5)CC4)nc3)s2)CC1,HAXXJSSYYMZICF-UHFFFAOYSA-N
-rxn:4:222379:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3cnc(N4CCN(c5ncnc6c5ncn6C5CC5)CC4)nc3)cc2)CC1,NBCHMYRDRXISGE-UHFFFAOYSA-N
-rxn:4:222389:217886,c1nc(N2CC3CCCCC3C2)ncc1-c1cc(C2CCNCC2)nc(C2CCNCC2)c1,UZOXPZBXNRJSLQ-UHFFFAOYSA-N
-rxn:4:222523:176120,CC(C)(C)NS(=O)(=O)c1ccc(-c2cc(C(=O)OC(C)(C)C)cc(-c3cc(Cl)ccc3F)c2)c(C(F)(F)F)c1,IKARBOCCXMNWOD-UHFFFAOYSA-N
-rxn:4:222523:176420,CC(C)(C)NS(=O)(=O)c1ccc(-c2cc(OC(F)F)cc(C(F)(F)F)c2)c(C(F)(F)F)c1,COEWRQFURHVMPV-UHFFFAOYSA-N
-rxn:4:222682:174516,COc1cccc(-c2ccccc2O[Si](C(C)C)(C(C)C)C(C)C)c1NC(=O)OC(C)(C)C,GVTGXSCRDGQPAQ-UHFFFAOYSA-N
-rxn:4:222811:185492,COC(=O)c1cccc2c1c(-c1cc(Cl)nc(NC(=O)OC(C)(C)C)c1)cn2C(=O)OC(C)(C)C,GDGZBHMRKPVMOM-UHFFFAOYSA-N
-rxn:4:222820:175597,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc(C(F)(F)F)cc2C(=O)OC(C)(C)C)cc1F,DIXNYDVBXSEUEG-UHFFFAOYSA-N
-rxn:4:222942:204055,O=C(c1ccc(-c2ccc(S(=O)(=O)NC3CC3)c(F)c2)o1)N1CCCN(C2CCSC2)CC1,OXGUOBYJYRGBIC-UHFFFAOYSA-N
-rxn:4:222942:204114,O=C(c1ccc(-c2ccc(S(=O)(=O)NC3CC3)c(F)c2)o1)N1CCCN(C2CCSCC2)CC1,JUQNFQRDIDZMBA-UHFFFAOYSA-N
-rxn:4:222943:204055,O=C(c1ccc(-c2ccc(F)c(S(=O)(=O)NC3CC3)c2)o1)N1CCCN(C2CCSC2)CC1,QDIAJZAOYGJAIN-UHFFFAOYSA-N
-rxn:4:223060:204764,O=C1C2CC=CCC2C(=O)N1C1CN(S(=O)(=O)c2ccc(-c3cc(Cl)nc(C4CCNCC4)c3)cc2)C1,GFHDQUBCYARQIC-UHFFFAOYSA-N
-rxn:4:223071:214802,CCS(=O)(=O)NCc1ccc(-c2cccnc2N2CCOC(C(=O)N3CCCC3)C2)cc1,VVHFGCFXZGTWED-UHFFFAOYSA-N
-rxn:4:223071:214852,CCS(=O)(=O)NCc1ccc(-c2cncc(C(=O)N3CCC(N4CCCC4)CC3)c2)cc1,XTOAVPHZHMLUHO-UHFFFAOYSA-N
-rxn:4:223082:187847,CNS(=O)(=O)c1c(C)cc(-c2cc3c(cc2C(F)F)N(C(=O)OC(C)(C)C)CC3)cc1C,KHDFKTRGPHKAKP-UHFFFAOYSA-N
-rxn:4:223102:199894,CC(C)(C)NS(=O)(=O)c1sccc1-c1cccc2c(C(=O)CC#N)cn(C(=O)OC(C)(C)C)c12,HFWRGVSDEULAJJ-UHFFFAOYSA-N
-rxn:4:223570:173923,COC(=O)CCS(=O)(=O)c1cccc(-c2c(F)ncc3c2ccn3[Si](C(C)C)(C(C)C)C(C)C)c1,UEGCSYRQRYNCLP-UHFFFAOYSA-N
-rxn:4:223570:176295,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccccc3C=C3Oc4cc(OC(=O)C(C)(C)C)ccc4C3=O)c(F)ncc21,MWUWGNVRIIYGES-UHFFFAOYSA-N
-rxn:4:223570:187845,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc4c(=O)n(CC(=O)OC(C)(C)C)ccc4c3)c(F)ncc21,MSCIPPSNPTUBQX-UHFFFAOYSA-N
-rxn:4:223570:204776,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc(N4C(=O)N(c5cccc(C(F)(F)F)c5)C5CS(=O)(=O)CC54)cc3)c(F)ncc21,WYUPSBPWYYQSDR-UHFFFAOYSA-N
-rxn:4:223570:207730,Cc1cc(-c2c(F)ncc3c2ccn3[Si](C(C)C)(C(C)C)C(C)C)ccc1N1C=C(C#N)S(=O)(=O)c2ccccc21,LPEIGWQMBYQTIK-UHFFFAOYSA-N
-rxn:4:223580:175933,COC(=O)c1ccc2c(c1)cc(-c1ccc(C3(C(=O)OC(C)(C)C)CC3)cc1)n2C(=O)OC(C)(C)C,DMCOMADXTBVOCH-UHFFFAOYSA-N
-rxn:4:223580:177489,COC(=O)c1ccc2c(c1)cc(-c1cc(C3(C)OC3C(=O)OC)ccc1F)n2C(=O)OC(C)(C)C,UOPOFNCSQUFWBO-UHFFFAOYSA-N
-rxn:4:223641:185243,CCc1cc2c(cc1F)cc(-c1ccc(C(=O)N(CC(C)C)C3CCS(=O)(=O)C3)cc1)n2C(=O)OC(C)(C)C,CNAOCGYXLJMVHO-UHFFFAOYSA-N
-rxn:4:223771:175605,COc1ccc2c(c1)cc(-c1cc(C(=O)OC(C)(C)C)ccc1C(F)(F)F)n2C(=O)OC(C)(C)C,KLCFVPHGXXYBEX-UHFFFAOYSA-N
-rxn:5:177184:225809:225784,CCOC(=O)c1c(-c2ccc(CN3CCOCC3)nc2)ccc(C)c1-c1cc(F)ccc1OC1CCOC1,PSHFMUAUAGPGOH-UHFFFAOYSA-N
-rxn:5:177189:225447:226054,CCOC(=O)c1c(-c2ccc(OC3CCCCC3)cc2)ccc(C)c1-c1cnc(C(F)(F)C(F)(F)F)nc1,TZKUPUXETMUFQR-UHFFFAOYSA-N
-rxn:5:177732:225784:223061,CC(C)(C)OC(=O)c1ccc(-c2ccc(CN3CCOCC3)nc2)c(-c2cc(C3CCNCC3)ncc2F)c1,LFAAWBZWHXPNJI-UHFFFAOYSA-N
-rxn:5:177732:227444:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(C(=O)OC(C)(C)C)ccc1-c1cncc(C2CCCO2)c1,BDMNFFFXLWURGC-UHFFFAOYSA-N
-rxn:5:177736:223064:225834,CC(C)(C)OC(=O)c1ccc(-c2cc(N3CCCCC3)ncc2F)c(-c2ccc(C3CCNCC3)nc2F)c1,KZVFKRRZTWJPOB-UHFFFAOYSA-N
-rxn:5:177736:226664:223056,CC(C)(C)OC(=O)c1ccc(-c2ccc(N3CCC(O)CC3)nc2)c(-c2cc(N3CCCC3)ncc2F)c1,FMOHJNMGQUMNPJ-UHFFFAOYSA-N
-rxn:5:177737:223065:226663,CC(C)(C)OC(=O)c1cc(-c2ccc(N3CCSCC3)nc2)ccc1-c1ccc(N2CCNCC2)cc1F,ZCBKUJBDVGJAJK-UHFFFAOYSA-N
-rxn:5:177737:225976:225976,CC(C)(C)OC(=O)c1cc(-c2ccnc(N3CCOCC3)c2F)ccc1-c1ccnc(N2CCOCC2)c1F,BYACPFNKPCPLTR-UHFFFAOYSA-N
-rxn:5:177738:222998:225798,COc1cc(-c2ccc(OC3CCOCC3)nc2)c(-c2cc(F)cc(C3CCCNC3)c2)cc1OC1CCC1,KUFDJRLPIVKXEU-UHFFFAOYSA-N
-rxn:5:177739:226729:225976,CC(C)(C)OC(=O)c1cccc(-c2cnc(OC3CCOC3)nc2)c1-c1ccnc(N2CCOCC2)c1F,GQMQUTJMDTVJGY-UHFFFAOYSA-N
-rxn:5:178117:223137:227803,CN(C)S(=O)(=O)n1nccc1-c1ccc(-c2cncc(C3CCCNC3)c2)cc1OCC1CCOCC1,SUNHWKWMOOPGBM-UHFFFAOYSA-N
-rxn:5:178117:227710:222987,Cc1nc(C2CCNCC2)ccc1-c1ccc(-c2ccc(OS(C)(=O)=O)cc2)cc1OCC1CCOCC1,JWINEDUNJVUVOF-UHFFFAOYSA-N
-rxn:5:178118:222987:225986,Cc1nc(C2CCNCC2)ccc1-c1ccc(-c2ccccc2N2CCCS2(=O)=O)cc1OCC1CCCCO1,VWHUWYCHUVGBSM-UHFFFAOYSA-N
-rxn:5:178118:223285:223056,CS(=O)(=O)Nc1ccccc1-c1ccc(-c2ccc(N3CCC(O)CC3)nc2)cc1OCC1CCCCO1,AVKLLQNRAVFTLZ-UHFFFAOYSA-N
-rxn:5:178118:227710:222988,Cc1cc(-c2ccc(-c3ccc(OS(C)(=O)=O)cc3)c(OCC3CCCCO3)c2)cc(C2CCNCC2)n1,HHHXNIFAKUIZNJ-UHFFFAOYSA-N
-rxn:5:178118:227803:223063,CN(C)S(=O)(=O)n1nccc1-c1ccc(-c2cc(F)nc(C3CCNCC3)c2)cc1OCC1CCCCO1,OOKMSRKBYSOQSS-UHFFFAOYSA-N
-rxn:5:178120:222987:227710,Cc1nc(C2CCNCC2)ccc1-c1cccc(OCC2CCOCC2)c1-c1ccc(OS(C)(=O)=O)cc1,DDHQRSUJSYVKDE-UHFFFAOYSA-N
-rxn:5:178121:222985:227710,Cc1nc(C2CCCNC2)ccc1-c1c(OCC2CCOCC2)cccc1-c1ccc(OS(C)(=O)=O)cc1,SARVQCKSABKIAD-UHFFFAOYSA-N
-rxn:5:178121:226968:225593,CC1(C)Cc2ccc(-c3c(OCC4CCOCC4)cccc3-c3cc(F)cc(CN4CCCC4)c3)cc2O1,MHLCBLANWYTHHF-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:5:178225:223062:227505,O=[N+]([O-])/C=C/c1ccc(-c2c(OCC3CCCCC3)cccc2-c2cnc(C3CCNCC3)cc2F)cc1,QXXKZTXIJOYZGQ-OBGWFSINSA-N
-rxn:5:178295:226062:227312,CCC(C)c1ccc(-c2ccc(-c3cc(C(C)C)cc(C(C)C)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)n1,PMWSTXWNHMRMBC-UHFFFAOYSA-N
-rxn:5:178295:226772:227821,CCc1c(C)cc(C)cc1-c1ccc(-c2c(F)cc(C(=O)OC)cc2F)c(C2(C(=O)OC)CCC(=O)CC2)c1,YLRDISKASRVHRW-UHFFFAOYSA-N
-rxn:5:178295:226910:228443,CCC(C)(C)c1ccc(-c2ccc(-c3ccc(F)c(SC)c3F)cc2C2(C(=O)OC)CCC(=O)CC2)cc1,QHAASGKXZXSSBO-UHFFFAOYSA-N
-rxn:5:178295:226911:226772,CCc1cc(C)cc(CC)c1-c1ccc(-c2c(F)cc(C(=O)OC)cc2F)cc1C1(C(=O)OC)CCC(=O)CC1,RVSQPHOUBDSYOM-UHFFFAOYSA-N
-rxn:5:178295:227049:228268,CCOc1c(C)cc(-c2ccc(-c3ccc(C)c(F)c3SC)cc2C2(C(=O)OC)CCC(=O)CC2)cc1C,XGJLCAWEZLNEKK-UHFFFAOYSA-N
-rxn:5:178295:227052:226968,COC(=O)C1(c2cc(-c3ccc4c(c3)OC(C)(C)C4)ccc2-c2ccc(SC(C)(C)C)cc2)CCC(=O)CC1,HVSHHEOTFHEWTA-UHFFFAOYSA-N
-rxn:5:178295:227124:226913,CCc1cc(-c2ccc(-c3ccc(C(C)(C)C)cc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc(C2CC2)c1,VYESQDIZDZGMBB-UHFFFAOYSA-N
-rxn:5:178295:227673:227922,CCc1cc(OC)ccc1-c1ccc(-c2cccc(C(C)(F)F)c2F)c(C2(C(=O)OC)CCC(=O)CC2)c1,QKKABTNQXTWLTM-UHFFFAOYSA-N
-rxn:5:178295:227724:228146,CCc1cncc(-c2ccc(-c3cc(OC(F)F)ccc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1OC,FHCUYQMJSHEKGC-UHFFFAOYSA-N
-rxn:5:178295:227818:227095,CCC(C)c1cccc(-c2ccc(-c3ccc(C4CC(=O)C4)cc3)cc2C2(C(=O)OC)CCC(=O)CC2)c1,NFVDYEGCOFXEJQ-UHFFFAOYSA-N
-rxn:5:178295:227819:227540,CCc1cc(CC)cc(-c2ccc(-c3cc(SC)cc(F)c3OC)cc2C2(C(=O)OC)CCC(=O)CC2)c1,ZSWUPNLIMGAGER-UHFFFAOYSA-N
-rxn:5:178295:228193:225465,COC(=O)C1(c2cc(-c3cccc(C4CCN(C)CC4)c3)ccc2-c2cnn(C3CCCC3)c2)CCC(=O)CC1,FETLDYZFQPWUKP-UHFFFAOYSA-N
-rxn:5:178295:228419:227358,CCOc1cc(C)cc(-c2ccc(-c3cc(F)c(SC)cc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1F,LWZUYYGFFPNSLZ-UHFFFAOYSA-N
-rxn:5:178295:228447:227309,CCC(C)c1cc(-c2ccc(-c3cccc(C(F)F)c3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc(F)n1,XVAYTGLEGIIOBM-UHFFFAOYSA-N
-rxn:5:178295:228791:226754,CCOc1c(F)cc(F)c(-c2ccc(-c3ccc(SC)cc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1F,OQIQKKVNBCOZOL-UHFFFAOYSA-N
-rxn:5:178314:226428:227054,COc1cc(-c2ccc(-c3cc(N4CCCCC4C)cs3)cc2O[Si](C)(C)C(C)(C)C)ccc1C1CC1,QRIIXBXQTQBQAY-UHFFFAOYSA-N
-rxn:5:178368:227426:225804,Cc1cc(S(=O)(=O)Oc2cc(C)c(-c3ccc(C(=O)N4CCC4)c(F)c3)c(C)c2)c(C)cc1-c1ccc(C2CCCO2)nc1,LCSJFINBBJGPQL-UHFFFAOYSA-N
-rxn:5:178466:223063:225834,CC(C)OC(=O)c1sc2cc(-c3cc(F)nc(C4CCNCC4)c3)ccc2c1-c1cc(N2CCCCC2)ncc1F,BBDHIJJVBDXVAT-UHFFFAOYSA-N
-rxn:5:178466:223064:223061,CC(C)OC(=O)c1sc2cc(-c3ccc(C4CCNCC4)nc3F)ccc2c1-c1cc(C2CCNCC2)ncc1F,SCRWTTYIECIJHS-UHFFFAOYSA-N
-rxn:5:178466:225834:223061,CC(C)OC(=O)c1sc2cc(-c3cc(N4CCCCC4)ncc3F)ccc2c1-c1cc(C2CCNCC2)ncc1F,BWWHYVKKQUVLSN-UHFFFAOYSA-N
-rxn:5:178467:223064:223062,CCOC(=O)C1=Cc2cc(-c3cnc(C4CCNCC4)cc3F)cc(-c3ccc(C4CCNCC4)nc3F)c2OC1,QIRPWLBCZVXWNO-UHFFFAOYSA-N
-rxn:5:178467:225982:223378,CCOC(=O)C1=Cc2cc(-c3cnc4c(c3)NCCO4)cc(-c3cnc(N4CCOCC4)cc3F)c2OC1,HSFUOSGRMAMHLJ-UHFFFAOYSA-N
-rxn:5:178467:226395:225982,CCOC(=O)C1=Cc2cc(-c3cnc(N4CCOCC4)cc3F)cc(-c3cncc(N4CCCCC4)c3)c2OC1,HPYMAEUYBJLFNJ-UHFFFAOYSA-N
-rxn:5:178467:226794:225849,CCOC(=O)C1=Cc2cc(-c3cnc(N4CCCCC4)cc3F)cc(-c3cnc(N4CCSCC4)nc3)c2OC1,TYHSZBTVKONLOB-UHFFFAOYSA-N
-rxn:5:178467:227376:226679,CCOC(=O)C1=Cc2cc(-c3cnc(N4CCCC4)cc3F)cc(-c3cncc(N4CCCC4)c3)c2OC1,DLLQTPORDDXKQM-UHFFFAOYSA-N
-rxn:5:179840:225657:225931,Cc1cc(-c2cc(O[C@@H]3CCOC3)ccc2-c2ccc(N3CCOCC3)c(C)c2)cc(S(=O)(=O)N(C)C)c1,IBWKJNIHMOVXLK-AREMUKBSSA-N
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-rxn:5:180297:223183:223000,CNS(=O)(=O)c1ccc(-c2cc(OC)c(-c3ccc(C4CCCNC4)c(F)c3)cc2C2(C)OCCO2)c(C)c1,BXKYQQBZCBHBDF-UHFFFAOYSA-N
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-rxn:5:188446:223136:223065,COC(=O)c1cc(-c2ccncc2C2CCCNC2)c(-c2ccc(N3CCNCC3)cc2F)c([N+](=O)[O-])c1,DDCSTLOXKRTBCB-UHFFFAOYSA-N
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-rxn:5:188932:223142:223135,COC(=O)c1cc(-c2ccc(C3CCCNC3)nc2)c(S(N)(=O)=O)c(-c2cccnc2C2CCCNC2)c1,GTOWSIRLFYGCJH-UHFFFAOYSA-N
-rxn:5:188932:225881:223140,COC(=O)c1cc(-c2ccnc(C3CCCNC3)c2)c(S(N)(=O)=O)c(-c2ccc(C3CCOCC3)nc2F)c1,QJWOIGGIGWBFLJ-UHFFFAOYSA-N
-rxn:5:188932:226174:223139,COC(=O)c1cc(-c2ccc(C3CCCCC3)nc2)c(S(N)(=O)=O)c(-c2ccc(C3CCNCC3)nc2)c1,MFUWCRPPBRDXSA-UHFFFAOYSA-N
-rxn:5:188932:226182:223138,COC(=O)c1cc(-c2ccnc(C3CCNCC3)c2)c(S(N)(=O)=O)c(-c2cccnc2C2CCCCC2)c1,ZUTLHAJICRPJSW-UHFFFAOYSA-N
-rxn:5:188932:226324:223142,COC(=O)c1cc(-c2ccc(C3CCCNC3)nc2)c(S(N)(=O)=O)c(-c2cccnc2OC2CCCC2)c1,LKNMXUOBBMDIKY-UHFFFAOYSA-N
-rxn:5:189207:225987:223135,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccc(N3CCCS3(=O)=O)cc2)ccc1-c1cccnc1C1CCCNC1,CYORTPXPUAFIEC-UHFFFAOYSA-N
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-rxn:5:189208:226212:227381,CON=C1CCc2cc(-c3ccc(C(=O)ON4C(=O)CCC4=O)c(-c4cnc(C5CCCC5)nc4)c3)ccc21,OOPRZOSEHKLFSH-UHFFFAOYSA-N
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-rxn:5:189407:225806:222989,Cc1cc(N2CCNCC2)ccc1-c1cc(CN(C)C2CC2)ccc1-c1cnc(OC2CCCC2)cc1F,KEIIYOWCLMCWTG-UHFFFAOYSA-N
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-rxn:5:189448:227501:223064,COC1CN(C(=O)c2ccc(-c3ccc(C=C[N+](=O)[O-])cc3)c(-c3ccc(C4CCNCC4)nc3F)c2)C1,NTGPDKJCQNCRGQ-UHFFFAOYSA-N
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-rxn:5:189448:227505:223064,COC1CN(C(=O)c2ccc(-c3ccc(/C=C/[N+](=O)[O-])cc3)c(-c3ccc(C4CCNCC4)nc3F)c2)C1,NTGPDKJCQNCRGQ-NTCAYCPXSA-N
-rxn:5:189662:223006:227303,CN(C)Cc1cccc(-c2ncc(-c3ccc(F)c(C4CCNCC4)c3)cc2OCC2CCOCC2)c1F,WDHSKJDXWPDALT-UHFFFAOYSA-N
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-rxn:5:189662:226426:227710,CC1CCN(c2ccc(-c3cnc(-c4ccc(OS(C)(=O)=O)cc4)c(OCC4CCOCC4)c3)s2)CC1,OHJMUTJJMIZCCJ-UHFFFAOYSA-N
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-rxn:5:189662:227710:222959,Cc1cc(-c2ncc(-c3ccc(OS(C)(=O)=O)cc3)cc2OCC2CCOCC2)ccc1C1CCNCC1,RQTWYHZPJCUCCX-UHFFFAOYSA-N
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-rxn:5:189662:227710:226426,CC1CCN(c2ccc(-c3ncc(-c4ccc(OS(C)(=O)=O)cc4)cc3OCC3CCOCC3)s2)CC1,WDMWMKALFRPSGE-UHFFFAOYSA-N
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-rxn:5:189665:225683:227710,Cc1nc(C2CCCOC2)ccc1-c1cnc(OCC2CCOCC2)c(-c2ccc(OS(C)(=O)=O)cc2)c1,FRVZMRAPYXXNOC-UHFFFAOYSA-N
-rxn:5:189665:225684:227710,Cc1nc(C2CCOCC2)ccc1-c1cnc(OCC2CCOCC2)c(-c2ccc(OS(C)(=O)=O)cc2)c1,OMKNIVZBOVJZNP-UHFFFAOYSA-N
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-rxn:5:189665:227298:223064,CN(C)Cc1ccc(F)cc1-c1cnc(OCC2CCOCC2)c(-c2ccc(C3CCNCC3)nc2F)c1,DHCCYSCSRAOZRW-UHFFFAOYSA-N
-rxn:5:189665:227403:227803,CN(C)S(=O)(=O)n1nccc1-c1cc(-c2ccc(N3CCCCC3)s2)cnc1OCC1CCOCC1,PHOCPONEQHHRIB-UHFFFAOYSA-N
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-rxn:5:189665:227710:225683,Cc1nc(C2CCCOC2)ccc1-c1cc(-c2ccc(OS(C)(=O)=O)cc2)cnc1OCC1CCOCC1,QUMBNUNYCDQABF-UHFFFAOYSA-N
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-rxn:5:189669:227657:225924,Cc1cc(S(=O)(=O)N(C)C)ccc1-c1cc(/C=N/S(=O)C(C)(C)C)ccc1-c1ccc(N2CCOCC2)s1,VYSDKTKLDWCJLX-VUTHCHCSSA-N
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-rxn:5:189908:227710:222987,Cc1nc(C2CCNCC2)ccc1-c1ncc(-c2ccc(OS(C)(=O)=O)cc2)cc1OCC1CCCCC1,DCWFXHWZQNYUOU-UHFFFAOYSA-N
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-rxn:5:189909:225617:223058,Fc1cc(-c2ccc(-c3ccc(OC4CCCCO4)cc3)c(CCN3CCOCC3)c2)cc(C2CCCNC2)n1,HKKQVXLACDQCCW-UHFFFAOYSA-N
-rxn:5:189952:227684:222417,COc1c(-c2cnn(CC3OCCO3)c2)cc(C(=O)N2CCOCC2)cc1-c1cnc(=O)[nH]c1C(C)C,WQXBMXKPKVTINS-UHFFFAOYSA-N
-rxn:5:190001:227933:225640,CCc1ccc(OC)cc1-c1cc(CC(=O)N2CCCCC2)ccc1-c1ccnc(N2CCCCC2C)c1,IOJCEHSMTNYFHJ-UHFFFAOYSA-N
-rxn:5:190127:225939:228155,COc1ccc(-c2ccc(-c3cnc(C(F)(F)F)c(C(C)C)c3)cc2C(=O)N2CCC(OC)CC2)cc1OC,ORGJOQSUCDZNQP-UHFFFAOYSA-N
-rxn:5:190131:226920:223144,COc1c(-c2ccc(N3CCC(O)C3)cc2)cc(C(=O)N2CCCCC2)cc1-c1cc(C(C)(C)C)ccc1C,XRJRHTXUKBDOLB-UHFFFAOYSA-N
-rxn:5:190195:223006:228348,CN(C)c1ccc(-c2cc(CN(C)C3CCOCC3)ccc2-c2ccc(F)c(C3CCNCC3)c2)c(F)n1,RWQVAQLYFPUZIP-UHFFFAOYSA-N
-rxn:5:190195:223061:222417,CC(C)c1[nH]c(=O)ncc1-c1cc(CN(C)C2CCOCC2)ccc1-c1cc(C2CCNCC2)ncc1F,DSXLKMVWTPTXNZ-UHFFFAOYSA-N
-rxn:5:190195:227299:223064,CN(C)Cc1cc(F)cc(-c2ccc(CN(C)C3CCOCC3)cc2-c2ccc(C3CCNCC3)nc2F)c1,XPLUHAQJMVTXHE-UHFFFAOYSA-N
-rxn:5:190195:228366:223063,CN(C)c1ncc(-c2ccc(CN(C)C3CCOCC3)cc2-c2cc(F)nc(C3CCNCC3)c2)cc1F,ZQJYOQDCTMRFGN-UHFFFAOYSA-N
-rxn:5:190196:223062:228366,CN(C)c1ncc(-c2cc(-c3cnc(C4CCNCC4)cc3F)ccc2CN(C)C2CCOCC2)cc1F,PRNJJKAQBBLWGJ-UHFFFAOYSA-N
-rxn:5:190196:223064:228363,CN(C)c1cc(F)c(-c2cc(-c3ccc(C4CCNCC4)nc3F)ccc2CN(C)C2CCOCC2)cn1,VQADOWCOKGQULE-UHFFFAOYSA-N
-rxn:5:190196:223064:228366,CN(C)c1ncc(-c2cc(-c3ccc(C4CCNCC4)nc3F)ccc2CN(C)C2CCOCC2)cc1F,OUUZKMLVBSQAJR-UHFFFAOYSA-N
-rxn:5:190196:225833:228694,CCN(C)c1csc(-c2cc(-c3ccnc(N4CCCCC4)c3F)ccc2CN(C)C2CCOCC2)c1,QMYLXAKWYVMTNX-UHFFFAOYSA-N
-rxn:5:190196:225978:228361,CN(C)c1cc(-c2cc(-c3ccc(N4CCOCC4)nc3F)ccc2CN(C)C2CCOCC2)c(F)cn1,CADJOYQCMKNQGJ-UHFFFAOYSA-N
-rxn:5:190196:226176:227279,CC(C)n1nc(C2CC2)cc1-c1cc(-c2ccncc2C2CCCCC2)ccc1CN(C)C1CCOCC1,FPBLQRLTQRPTCF-UHFFFAOYSA-N
-rxn:5:190196:228363:223064,CN(C)c1cc(F)c(-c2ccc(CN(C)C3CCOCC3)c(-c3ccc(C4CCNCC4)nc3F)c2)cn1,QZPVUDWOVLGBLK-UHFFFAOYSA-N
-rxn:5:190196:228366:223062,CN(C)c1ncc(-c2ccc(CN(C)C3CCOCC3)c(-c3cnc(C4CCNCC4)cc3F)c2)cc1F,YCMZURWPSPNMKS-UHFFFAOYSA-N
-rxn:5:190196:228366:223064,CN(C)c1ncc(-c2ccc(CN(C)C3CCOCC3)c(-c3ccc(C4CCNCC4)nc3F)c2)cc1F,KGPGTGGGABPBTI-UHFFFAOYSA-N
-rxn:5:190196:228694:225666,CCN(C)c1csc(-c2ccc(CN(C)C3CCOCC3)c(-c3cc(F)cc(N4CCCCC4)c3)c2)c1,AKWISPCDCADOEQ-UHFFFAOYSA-N
-rxn:5:190196:228694:225833,CCN(C)c1csc(-c2ccc(CN(C)C3CCOCC3)c(-c3ccnc(N4CCCCC4)c3F)c2)c1,YRRAYIGRCMQEEN-UHFFFAOYSA-N
-rxn:5:190197:223058:228694,CCN(C)c1csc(-c2ccc(CN(C)C3CCOCC3)c(-c3cc(F)nc(C4CCCNC4)c3)c2)c1,WZJNDHZERAKIQC-UHFFFAOYSA-N
-rxn:5:190197:223063:228366,CN(C)c1ncc(-c2ccc(CN(C)C3CCOCC3)c(-c3cc(F)nc(C4CCNCC4)c3)c2)cc1F,VJOVFZSBHNLKIS-UHFFFAOYSA-N
-rxn:5:190197:225440:226597,CC(C)Oc1c(F)cc(-c2ccc(CN(C)C3CCOCC3)c(-c3ccc(C4(C#N)CCCC4)cc3)c2)cc1F,JKGNYGAUACRCNL-UHFFFAOYSA-N
-rxn:5:190197:226583:227297,CN(C)Cc1ccc(F)c(-c2ccc(CN(C)C3CCOCC3)c(-c3ccc(CN4CCOCC4)s3)c2)c1,LXJNUKQKANCFOB-UHFFFAOYSA-N
-rxn:5:190197:227297:223064,CN(C)Cc1ccc(F)c(-c2cc(-c3ccc(C4CCNCC4)nc3F)ccc2CN(C)C2CCOCC2)c1,DMBZRLJYWYAOMP-UHFFFAOYSA-N
-rxn:5:190197:227611:225987,CN(Cc1ccc(-c2ccc(N3CCCS3(=O)=O)cc2)cc1-c1ccnn1C1CCCCO1)C1CCOCC1,KOIOYOBPAJVKKI-UHFFFAOYSA-N
-rxn:5:190197:228348:223063,CN(C)c1ccc(-c2cc(-c3cc(F)nc(C4CCNCC4)c3)ccc2CN(C)C2CCOCC2)c(F)n1,PAQHFHUYYAOHLA-UHFFFAOYSA-N
-rxn:5:190197:228366:223064,CN(C)c1ncc(-c2cc(-c3ccc(C4CCNCC4)nc3F)ccc2CN(C)C2CCOCC2)cc1F,OUUZKMLVBSQAJR-UHFFFAOYSA-N
-rxn:5:190198:223061:228366,CN(C)c1ncc(-c2cccc(-c3cc(C4CCNCC4)ncc3F)c2CN(C)C2CCOCC2)cc1F,OFMOVQBCXJCANO-UHFFFAOYSA-N
-rxn:5:190198:223062:228366,CN(C)c1ncc(-c2cccc(-c3cnc(C4CCNCC4)cc3F)c2CN(C)C2CCOCC2)cc1F,SHBLDBMQFCAENZ-UHFFFAOYSA-N
-rxn:5:190198:223064:228361,CN(C)c1cc(-c2cccc(-c3ccc(C4CCNCC4)nc3F)c2CN(C)C2CCOCC2)c(F)cn1,RJOPGDLMMUHRQC-UHFFFAOYSA-N
-rxn:5:190198:223064:228366,CN(C)c1ncc(-c2cccc(-c3ccc(C4CCNCC4)nc3F)c2CN(C)C2CCOCC2)cc1F,ISMIRJKFUJEHFP-UHFFFAOYSA-N
-rxn:5:190198:225881:228366,CN(C)c1ncc(-c2cccc(-c3ccc(C4CCOCC4)nc3F)c2CN(C)C2CCOCC2)cc1F,DURLCQAFRWNXDG-UHFFFAOYSA-N
-rxn:5:190198:225987:228879,CN(Cc1c(-c2ccc(N3CCCS3(=O)=O)cc2)cccc1-c1ccnn1C1COC1)C1CCOCC1,WQIIQFSISJSPRX-UHFFFAOYSA-N
-rxn:5:190198:226654:227495,CCN(C)c1cc(-c2cccc(-c3csc(N4CCC(C)CC4)n3)c2CN(C)C2CCOCC2)c(F)cn1,NUFWWBBTUSWUFR-UHFFFAOYSA-N
-rxn:5:190198:227298:222985,Cc1nc(C2CCCNC2)ccc1-c1cccc(-c2cc(F)ccc2CN(C)C)c1CN(C)C1CCOCC1,SJHLGESRZNUSEU-UHFFFAOYSA-N
-rxn:5:190198:227496:226654,CCN(C)c1cc(F)c(-c2cccc(-c3csc(N4CCC(C)CC4)n3)c2CN(C)C2CCOCC2)cn1,VFTKHAXCPYPELT-UHFFFAOYSA-N
-rxn:5:190198:228361:223008,CN(C)c1cc(-c2cccc(-c3cc(C4CCNCC4)ccc3F)c2CN(C)C2CCOCC2)c(F)cn1,GLMBPXBFXSAKRJ-UHFFFAOYSA-N
-rxn:5:190198:228363:223001,CN(C)c1cc(F)c(-c2cccc(-c3cc(C4CCCNC4)ccc3F)c2CN(C)C2CCOCC2)cn1,BSBVQVSDCBXUKU-UHFFFAOYSA-N
-rxn:5:190198:228366:223063,CN(C)c1ncc(-c2cccc(-c3cc(F)nc(C4CCNCC4)c3)c2CN(C)C2CCOCC2)cc1F,DORKTAGAICCKHQ-UHFFFAOYSA-N
-rxn:5:190198:228694:225833,CCN(C)c1csc(-c2cccc(-c3ccnc(N4CCCCC4)c3F)c2CN(C)C2CCOCC2)c1,NADXTTCAHFBGRL-UHFFFAOYSA-N
-rxn:5:190198:228694:225849,CCN(C)c1csc(-c2cccc(-c3cnc(N4CCCCC4)cc3F)c2CN(C)C2CCOCC2)c1,BLPQFALPFJPILA-UHFFFAOYSA-N
-rxn:5:190199:222998:228694,CCN(C)c1csc(-c2ccc(-c3cc(F)cc(C4CCCNC4)c3)c(CN(C)C3CCOCC3)c2)c1,KIQHKLDZPKPLMF-UHFFFAOYSA-N
-rxn:5:190199:223061:228366,CN(C)c1ncc(-c2ccc(-c3cc(C4CCNCC4)ncc3F)c(CN(C)C3CCOCC3)c2)cc1F,FWGLJLQHZRWCEI-UHFFFAOYSA-N
-rxn:5:190199:223062:228206,CN(C)c1cc(F)cc(-c2ccc(-c3cnc(C4CCNCC4)cc3F)c(CN(C)C3CCOCC3)c2)c1,DRBTUNQIEMZELV-UHFFFAOYSA-N
-rxn:5:190199:223064:227299,CN(C)Cc1cc(F)cc(-c2ccc(-c3ccc(C4CCNCC4)nc3F)c(CN(C)C3CCOCC3)c2)c1,DTFUIZKXFMVTKI-UHFFFAOYSA-N
-rxn:5:190199:223064:227301,CN(C)Cc1cc(F)ccc1-c1ccc(-c2ccc(C3CCNCC3)nc2F)c(CN(C)C2CCOCC2)c1,AZRMEBGKRDNDLL-UHFFFAOYSA-N
-rxn:5:190199:223064:228206,CN(C)c1cc(F)cc(-c2ccc(-c3ccc(C4CCNCC4)nc3F)c(CN(C)C3CCOCC3)c2)c1,YCRWZFPAHNKICY-UHFFFAOYSA-N
-rxn:5:190199:223064:228694,CCN(C)c1csc(-c2ccc(-c3ccc(C4CCNCC4)nc3F)c(CN(C)C3CCOCC3)c2)c1,COHAIXJFJKTXGS-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:5:190199:225590:222417,CC(C)c1[nH]c(=O)ncc1-c1ccc(-c2ccc(CN3CCCC3)c(F)c2)c(CN(C)C2CCOCC2)c1,UVCOERXIQPXNTH-UHFFFAOYSA-N
-rxn:5:190199:225674:228694,CCN(C)c1csc(-c2ccc(-c3cnc(C4CCCCC4)cc3F)c(CN(C)C3CCOCC3)c2)c1,UZWCEESDEZWPIR-UHFFFAOYSA-N
-rxn:5:190199:225677:228694,CCN(C)c1csc(-c2ccc(-c3ccc(C4CCCCC4)nc3F)c(CN(C)C3CCOCC3)c2)c1,QDWWYCGPRCYXPV-UHFFFAOYSA-N
-rxn:5:190199:225679:228694,CCN(C)c1csc(-c2ccc(-c3ccc(N4CCCCC4)cc3F)c(CN(C)C3CCOCC3)c2)c1,JBNAPQLMFYMSGL-UHFFFAOYSA-N
-rxn:5:190199:225833:228694,CCN(C)c1csc(-c2ccc(-c3ccnc(N4CCCCC4)c3F)c(CN(C)C3CCOCC3)c2)c1,GYPCONFGJKRFOI-UHFFFAOYSA-N
-rxn:5:190199:225849:228366,CN(C)c1ncc(-c2ccc(-c3cnc(N4CCCCC4)cc3F)c(CN(C)C3CCOCC3)c2)cc1F,QHRFPZMACXJACY-UHFFFAOYSA-N
-rxn:5:190199:225849:228694,CCN(C)c1csc(-c2ccc(-c3cnc(N4CCCCC4)cc3F)c(CN(C)C3CCOCC3)c2)c1,NSKLEWKWPHVYMU-UHFFFAOYSA-N
-rxn:5:190199:225881:228361,CN(C)c1cc(-c2ccc(-c3ccc(C4CCOCC4)nc3F)c(CN(C)C3CCOCC3)c2)c(F)cn1,FTWGQQMUNAFAIT-UHFFFAOYSA-N
-rxn:5:190199:225881:228366,CN(C)c1ncc(-c2ccc(-c3ccc(C4CCOCC4)nc3F)c(CN(C)C3CCOCC3)c2)cc1F,HVHTUYHSKZEOQW-UHFFFAOYSA-N
-rxn:5:190199:225881:228694,CCN(C)c1csc(-c2ccc(-c3ccc(C4CCOCC4)nc3F)c(CN(C)C3CCOCC3)c2)c1,HNDANKRVEGRMOG-UHFFFAOYSA-N
-rxn:5:190199:225982:228361,CN(C)c1cc(-c2ccc(-c3cnc(N4CCOCC4)cc3F)c(CN(C)C3CCOCC3)c2)c(F)cn1,PWNNETTVAWKWRT-UHFFFAOYSA-N
-rxn:5:190199:226426:227496,CCN(C)c1cc(F)c(-c2ccc(-c3ccc(N4CCC(C)CC4)s3)c(CN(C)C3CCOCC3)c2)cn1,LCCOUKSNRZKNID-UHFFFAOYSA-N
-rxn:5:190199:226654:227496,CCN(C)c1cc(F)c(-c2ccc(-c3csc(N4CCC(C)CC4)n3)c(CN(C)C3CCOCC3)c2)cn1,MJFUHKMSYUBVOZ-UHFFFAOYSA-N
-rxn:5:190199:227298:223062,CN(C)Cc1ccc(F)cc1-c1ccc(-c2cnc(C3CCNCC3)cc2F)cc1CN(C)C1CCOCC1,NSLQMHSYOQGVJD-UHFFFAOYSA-N
-rxn:5:190199:228361:223007,CN(C)c1cc(-c2ccc(-c3cc(F)cc(C4CCNCC4)c3)cc2CN(C)C2CCOCC2)c(F)cn1,MLAQMAQLTFRXBU-UHFFFAOYSA-N
-rxn:5:190199:228361:223061,CN(C)c1cc(-c2ccc(-c3cc(C4CCNCC4)ncc3F)cc2CN(C)C2CCOCC2)c(F)cn1,YENDYQQJMOXUOJ-UHFFFAOYSA-N
-rxn:5:190199:228361:225982,CN(C)c1cc(-c2ccc(-c3cnc(N4CCOCC4)cc3F)cc2CN(C)C2CCOCC2)c(F)cn1,XFTACUWXCNPBGW-UHFFFAOYSA-N
-rxn:5:190199:228363:223064,CN(C)c1cc(F)c(-c2ccc(-c3ccc(C4CCNCC4)nc3F)cc2CN(C)C2CCOCC2)cn1,RARZRNPZSQJSJK-UHFFFAOYSA-N
-rxn:5:190199:228366:223062,CN(C)c1ncc(-c2ccc(-c3cnc(C4CCNCC4)cc3F)cc2CN(C)C2CCOCC2)cc1F,WOGYVGNHDVOPAJ-UHFFFAOYSA-N
-rxn:5:190199:228366:223063,CN(C)c1ncc(-c2ccc(-c3cc(F)nc(C4CCNCC4)c3)cc2CN(C)C2CCOCC2)cc1F,HNFJQWPLYDUBOR-UHFFFAOYSA-N
-rxn:5:190199:228366:223064,CN(C)c1ncc(-c2ccc(-c3ccc(C4CCNCC4)nc3F)cc2CN(C)C2CCOCC2)cc1F,RJKFYESTLGZDGS-UHFFFAOYSA-N
-rxn:5:190199:228694:225833,CCN(C)c1csc(-c2ccc(-c3ccnc(N4CCCCC4)c3F)cc2CN(C)C2CCOCC2)c1,HBYFWCZLCKEMEN-UHFFFAOYSA-N
-rxn:5:190199:228694:225849,CCN(C)c1csc(-c2ccc(-c3cnc(N4CCCCC4)cc3F)cc2CN(C)C2CCOCC2)c1,PLMPEEBLQGXSCF-UHFFFAOYSA-N
-rxn:5:190200:223062:228361,CN(C)c1cc(-c2cc(CN(C)C3CCOCC3)cc(-c3cnc(C4CCNCC4)cc3F)c2)c(F)cn1,SIDIMXHLIBOBPT-UHFFFAOYSA-N
-rxn:5:190200:223062:228363,CN(C)c1cc(F)c(-c2cc(CN(C)C3CCOCC3)cc(-c3cnc(C4CCNCC4)cc3F)c2)cn1,XKZONDAGHANDDS-UHFFFAOYSA-N
-rxn:5:190200:223064:228363,CN(C)c1cc(F)c(-c2cc(CN(C)C3CCOCC3)cc(-c3ccc(C4CCNCC4)nc3F)c2)cn1,CLAMHSJNZJOYDE-UHFFFAOYSA-N
-rxn:5:190200:225879:227386,CN(Cc1cc(-c2cnn(C3CCCCC3)c2)cc(-c2ccc(N3CCOCC3)cc2F)c1)C1CCOCC1,MIDIZWWTAQSZLU-UHFFFAOYSA-N
-rxn:5:190200:225933:227900,CC(C#N)c1ccccc1-c1cc(CN(C)C2CCOCC2)cc(-c2cc(C3CC3)nc(C(F)(F)F)c2)c1,WETAYHYJVKCJCV-UHFFFAOYSA-N
-rxn:5:190201:223113:225655,CC1CCN(c2cncc(-c3ccc(-c4ccc5c(c4)C(C)(C)C(=O)N5)cc3CCN3CCOC(C)C3)c2)CC1,KKSUWKJBVIREKU-UHFFFAOYSA-N
-rxn:5:190201:226320:227529,COC(=O)c1ccc(-c2ccc(-c3cc(C4(C#N)CC4)ccc3F)cc2CCN2CCOC(C)C2)c(F)c1,RQGSGIIRTVUXGG-UHFFFAOYSA-N
-rxn:5:190201:226588:223113,CC1CN(CCc2cc(-c3cc(OC4CCC4)ncc3F)ccc2-c2ccc3c(c2)C(C)(C)C(=O)N3)CCO1,JWJOPDPUOZNQNN-UHFFFAOYSA-N
-rxn:5:190201:227301:226424,CC1CCCN(c2csc(-c3ccc(-c4ccc(F)cc4CN(C)C)cc3CCN3CCOC(C)C3)c2)C1,VXDPLLQVDILVON-UHFFFAOYSA-N
-rxn:5:190231:223058:227341,COc1c(-c2cc(F)nc(C3CCCNC3)c2)cc(C(=O)N2CCOC(C)C2)cc1-c1cccc(OC(C)C)c1F,UOHREPBZHJXZAW-UHFFFAOYSA-N
-rxn:5:190231:225849:225980,COc1c(-c2cnc(N3CCCCC3)cc2F)cc(C(=O)N2CCOC(C)C2)cc1-c1cc(N2CCOCC2)ncc1F,LDMCYXQFKAFEML-UHFFFAOYSA-N
-rxn:5:190231:226794:226664,COc1c(-c2cnc(N3CCSCC3)nc2)cc(C(=O)N2CCOC(C)C2)cc1-c1cc(N2CCCC2)ncc1F,PNRPEUALXBDXQP-UHFFFAOYSA-N
-rxn:5:190231:227379:223056,COc1c(-c2ccc(N3CCC(O)CC3)nc2)cc(C(=O)N2CCOC(C)C2)cc1-c1cccnc1N1CCCC1,SXIKPYOUKVWXMT-UHFFFAOYSA-N
-rxn:5:190265:226320:225886,CC1CCCN(C(=O)Cc2ccc(-c3ccc4c(ccn4S(C)(=O)=O)c3)c(-c3cc(C4(C#N)CC4)ccc3F)c2)C1,VPCWCFFBVHPFSZ-UHFFFAOYSA-N
-rxn:5:190265:227709:227089,CC1CCCN(C(=O)Cc2ccc(-c3ccncc3C3CCCC3)c(-c3cccc(OC(F)(F)F)c3)c2)C1,DDNKPSLKPBPMKN-UHFFFAOYSA-N
-rxn:5:190299:225819:223062,COc1ccc(-c2cc(C(F)(F)F)ccc2C2CC2)cc1C=C1SC(=O)N(c2ccc(-c3cnc(C4CCNCC4)cc3F)cc2)C1=O,NBIQFPDQEHUNQN-UHFFFAOYSA-N
-rxn:5:190307:225886:225601,CC1CCN(CCc2cc(-c3ccc4c(ccn4S(C)(=O)=O)c3)ccc2-c2ccc(C3(C#N)CCC3)cc2F)CC1,SEJXPJQSLVVIFD-UHFFFAOYSA-N
-rxn:5:190335:226644:228612,COc1cccc(-c2cc(C(=O)N3CCCCC3C)cc(-c3cncc(N4CCOCC4)c3)c2OC)c1C,XPKLEVMTYHPHBE-UHFFFAOYSA-N
-rxn:5:190336:228320:228499,COC(=O)c1cc(-c2cc(C(=O)N3CCCC(C)C3)cc(-c3cc(C(F)(F)F)nn3C)c2OC)ccn1,BTFKFDBSCONJPC-UHFFFAOYSA-N
-rxn:5:190337:228317:225600,COC(=O)c1ccc(-c2cc(C(=O)N3CCC(C)CC3)cc(-c3cccnc3OC3CCCCC3)c2OC)cn1,VSVFOCPQEBAUMB-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
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-rxn:5:193382:225880:223008,O=S(=O)(c1ccc(-c2cc(C3CCOCC3)ncc2F)cc1-c1cc(C2CCNCC2)ccc1F)N1CCOCC1,PQDYZMGTLIXMMT-UHFFFAOYSA-N
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-rxn:5:193506:226425:227684,CC1CCCCN1c1ccc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3cnn(CC4OCCO4)c3)c2)s1,LDVKUHYLMWHJPE-UHFFFAOYSA-N
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-rxn:5:193506:227684:225639,CC1CCN(c2ncccc2-c2cc(-c3cnn(CC4OCCO4)c3)ccc2S(=O)(=O)N2CCC(=O)CC2)CC1,NFAMTESQJQKPQA-UHFFFAOYSA-N
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-rxn:5:193541:226374:226686,Cc1cnn(C2CCCCO2)c1-c1cc(CN2CCCCC2)cc(-c2cncnc2C2CCCCC2)c1,MBRCUBPCUYFYFX-UHFFFAOYSA-N
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-rxn:5:193753:226027:223289,CNS(=O)(=O)c1ccccc1-c1cc(C(=O)N2CCCCC2C)cc(-c2ccc(F)c(S(=O)(=O)N(C)C)c2)c1,BDCWGYDHBKKDLR-UHFFFAOYSA-N
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-rxn:5:193756:222960:226883,Cc1cc(-c2ccc(C(=O)N3CCCCC3C)c(-c3c(F)ccc(C(F)(F)F)c3F)c2)cc(C2CCNCC2)c1,ZSFMETIVEQNYNF-UHFFFAOYSA-N
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-rxn:5:193756:225600:225808,CC1CCCCN1C(=O)c1ccc(-c2cccnc2OC2CCCCC2)cc1-c1cc(OC2CCCC2)ncc1F,ZQTUECMSGLIDIW-UHFFFAOYSA-N
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-rxn:5:193756:227089:226588,CC1CCCCN1C(=O)c1ccc(-c2ccncc2C2CCCC2)cc1-c1cc(OC2CCC2)ncc1F,DOTZWVRFDKNGFC-UHFFFAOYSA-N
-rxn:5:193756:227089:226611,CCc1ccc(C(F)(F)F)cc1-c1cc(-c2ccncc2C2CCCC2)ccc1C(=O)N1CCCCC1C,JCVRZVCDCSEUEI-UHFFFAOYSA-N
-rxn:5:193756:227387:226842,CC1CCCCN1C(=O)c1ccc(-c2ccnc(N3CCCC3)c2)cc1-c1cncc(C(=O)C(F)(F)F)c1,XRTRUIAPPNBPEK-UHFFFAOYSA-N
-rxn:5:193756:227519:226779,COC(=O)c1cc(C)c(-c2ccc(C(=O)N3CCCCC3C)c(-c3ccc(C(=O)C(F)(F)F)cc3)c2)cn1,MCIZOEXQHAMIFR-UHFFFAOYSA-N
-rxn:5:193808:226654:227298,CC1CCN(Cc2cc(-c3csc(N4CCC(C)CC4)n3)ccc2-c2cc(F)ccc2CN(C)C)CC1,QEJJZCUMKCMSQR-UHFFFAOYSA-N
-rxn:5:193809:226654:227298,CC1CCN(Cc2ccc(-c3csc(N4CCC(C)CC4)n3)cc2-c2cc(F)ccc2CN(C)C)CC1,ODYXXTXJOZXENR-UHFFFAOYSA-N
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-rxn:5:193869:227444:223288,CNS(=O)(=O)c1cccc(-c2cc(S(=O)(=O)N3CCCCC3)c(-c3cncc(C4CCCO4)c3)cc2C)c1,NMFKXAGRRLRCKU-UHFFFAOYSA-N
-rxn:5:193869:227674:222998,COc1c(-c2cc(C)c(-c3cc(F)cc(C4CCCNC4)c3)cc2S(=O)(=O)N2CCCCC2)cc(C)c(F)c1F,JWFRAXKNHHPHPE-UHFFFAOYSA-N
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-rxn:5:193871:227390:227124,CC(C)(C)c1ccc(-c2ccc(C(=O)N3CCC4(CC3)CC4)cc2-c2ccnn2C2CCCCC2)c(F)c1,CCAIVMIZBKZBBU-UHFFFAOYSA-N
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-rxn:5:193872:225886:226610,CCc1cc(-c2cc(C(=O)N3CCC4(CC3)CC4)ccc2-c2ccc3c(ccn3S(C)(=O)=O)c2)cc(C(F)(F)F)c1,NKPWETUIFHUUTB-UHFFFAOYSA-N
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-rxn:5:193932:227758:226174,CC1CC(C)CN(C(=O)c2ccc(-c3ccc(C4CCCCC4)nc3)c(-c3cc(F)ccc3C(F)(F)F)c2)C1,AQLPJAITIQAPEZ-UHFFFAOYSA-N
-rxn:5:193967:227297:226654,CC1CCN(c2nc(-c3cc(-c4cc(CN(C)C)ccc4F)ccc3CN3CCC4(CC3)OCCO4)cs2)CC1,FRNJDPHBXRCLQB-UHFFFAOYSA-N
-rxn:5:193968:226611:228621,CCc1ccc(C(F)(F)F)cc1-c1ccc(-c2ccc(C)cc2SC)c(CN2CCC3(CC2)OCCO3)c1,MDYVUIBBASRLHN-UHFFFAOYSA-N
-rxn:5:193968:226654:227298,CC1CCN(c2nc(-c3ccc(-c4cc(F)ccc4CN(C)C)c(CN4CCC5(CC4)OCCO5)c3)cs2)CC1,QNZCKPPDDFNNQP-UHFFFAOYSA-N
-rxn:5:193968:227297:226654,CC1CCN(c2nc(-c3ccc(-c4cc(CN(C)C)ccc4F)cc3CN3CCC4(CC3)OCCO4)cs2)CC1,QKSKZUAQAJJBQT-UHFFFAOYSA-N
-rxn:5:193972:225795:225939,COc1cc(-n2cccn2)ccc1-c1cc(C)c(-c2cnc(C(F)(F)F)c(C(C)C)c2)cc1S(=O)(=O)N1CCCCCC1,KANXZBUJSYVKOW-UHFFFAOYSA-N
-rxn:5:193972:226665:226371,Cc1cc(N2CCCC2)ncc1-c1cc(S(=O)(=O)N2CCCCCC2)c(-c2cnc(C3CCCOC3)nc2)cc1C,RVJFOIXYWVWJFI-UHFFFAOYSA-N
-rxn:5:193972:228253:227052,Cc1cc(-c2ccc(P(C)(C)=O)cc2)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc(SC(C)(C)C)cc1,FJFJQQRHVXFHER-UHFFFAOYSA-N
-rxn:5:193972:228872:222960,COC(=O)c1sccc1-c1cc(C)c(-c2cc(C)cc(C3CCNCC3)c2)cc1S(=O)(=O)N1CCCCCC1,JGQCOTYZHZTZAJ-UHFFFAOYSA-N
-rxn:5:194058:223054:225799,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2cncc(OC3CCOCC3)c2)s1)N1CCC(O)C1,KLFIDSDOJVZELR-UHFFFAOYSA-M
-rxn:5:194058:223056:225805,CC(c1ccc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2ccc(N3CCC(O)CC3)nc2)s1)N1CCOCC1,SGEHPHVAVSRJBC-UHFFFAOYSA-M
-rxn:5:194058:225684:223054,Cc1nc(C2CCOCC2)ccc1-c1cc2c(OS(=O)(=O)[O-])c[nH]c2cc1-c1ccc(C(C)N2CCC(O)C2)s1,HQFZLISKUBIALO-UHFFFAOYSA-M
-rxn:5:194058:225803:225805,CC(c1ccc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2ccnc(OC3CCOCC3)c2)s1)N1CCOCC1,SBOOKABQGJSFKZ-UHFFFAOYSA-M
-rxn:5:194058:226583:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc2[nH]cc(OS(=O)(=O)[O-])c2cc1-c1ccc(CN2CCOCC2)s1,GFIFCHWYEJTRTJ-UHFFFAOYSA-M
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-rxn:5:194397:223063:227507,O=C(c1ccc(-c2cccc(C=C[N+](=O)[O-])c2)cc1-c1cc(F)nc(C2CCNCC2)c1)N1CC2CC2C1,UZMZIJQPVPOCQG-UHFFFAOYSA-N
-rxn:5:194398:223064:227506,O=C(c1ccc(-c2ccc(C3CCNCC3)nc2F)cc1-c1cccc(/C=C/[N+](=O)[O-])c1)N1CC2CC2C1,VQNYBSOUHVPEEV-JLHYYAGUSA-N
-rxn:5:194398:223064:227507,O=C(c1ccc(-c2ccc(C3CCNCC3)nc2F)cc1-c1cccc(C=C[N+](=O)[O-])c1)N1CC2CC2C1,VQNYBSOUHVPEEV-UHFFFAOYSA-N
-rxn:5:194398:227506:223063,O=C(c1ccc(-c2cccc(/C=C/[N+](=O)[O-])c2)cc1-c1cc(F)nc(C2CCNCC2)c1)N1CC2CC2C1,UZMZIJQPVPOCQG-DHZHZOJOSA-N
-rxn:5:194399:227501:223063,O=C(c1ccc(-c2ccc(C=C[N+](=O)[O-])cc2)c(-c2cc(F)nc(C3CCNCC3)c2)c1)N1CC2CC2C1,XAFBSEWBFZPHSX-UHFFFAOYSA-N
-rxn:5:194575:226843:225808,O=C(c1ccc(-c2ccccc2S(=O)(=O)N2CCc3sc(-c4cc(OC5CCCC5)ncc4F)cc3C2)cn1)C(F)(F)F,MBXYHTNLFFPHLT-UHFFFAOYSA-N
-rxn:5:194688:223065:225980,COc1cc(-c2cc(N3CCOCC3)ncc2F)cc2c1OCC(=O)N(c1ccc(-c3ccc(N4CCNCC4)cc3F)cc1)C2,FSURDANIFVKSJI-UHFFFAOYSA-N
-rxn:5:194767:223062:227316,CC(C)Cc1cc(-c2ccc(-c3cnc(C4CCNCC4)cc3F)cc2C(=O)N2CCCC3(C2)OC(=O)c2ccccc23)cc(F)n1,ATHBEJJXMBOLEB-UHFFFAOYSA-N
-rxn:5:194767:225834:226679,O=C1OC2(CCCN(C(=O)c3cc(-c4cc(N5CCCCC5)ncc4F)ccc3-c3cnc(N4CCCC4)cc3F)C2)c2ccccc21,VLTUNDVALMVFIW-UHFFFAOYSA-N
-rxn:5:194767:225976:226644,O=C1OC2(CCCN(C(=O)c3cc(-c4ccnc(N5CCOCC5)c4F)ccc3-c3cncc(N4CCOCC4)c3)C2)c2ccccc21,KLAIHXGSRMKRTC-UHFFFAOYSA-N
-rxn:5:194767:226740:228443,CSc1c(F)ccc(-c2ccc(-c3cccc(C(F)(F)F)c3C#N)cc2C(=O)N2CCCC3(C2)OC(=O)c2ccccc23)c1F,ULEZCSRHPACABG-UHFFFAOYSA-N
-rxn:5:194767:226850:229057,COc1cc(-c2ccc(-c3cnn(C4CC4)c3)c(C(=O)N3CCCC4(C3)OC(=O)c3ccccc34)c2)cc(C(F)(F)F)n1,NVRVPGCYPJGJJJ-UHFFFAOYSA-N
-rxn:5:194767:227148:225656,Cc1cc2c(cnn2C)cc1-c1ccc(-c2cncc(N3CCCCC3C)c2)c(C(=O)N2CCCC3(C2)OC(=O)c2ccccc23)c1,YNACBYYDACRFAM-UHFFFAOYSA-N
-rxn:5:194792:228211:227453,Cc1ccc(-c2ccc(-c3ccc(N4C(=O)C5C(c6ccc(-c7cc(N8CCCC8)cs7)cc6)OC6(C(=O)c7ccccc7C6=O)C5C4=O)cc3)s2)s1,HQWKNJJXGXQRHN-UHFFFAOYSA-N
-rxn:5:194792:228269:228617,COc1cc(-c2ccc(C3OC4(C(=O)c5ccccc5C4=O)C4C(=O)N(c5ccc(-c6c(C)cccc6OC)cc5)C(=O)C34)cc2)c(F)cc1C,WPHWNCJNRIWYMZ-UHFFFAOYSA-N
-rxn:5:196408:222960:225683,Cc1cc(-c2cc(-c3ccc(C4CCCOC4)nc3C)ccc2C2=NOCCO2)cc(C2CCNCC2)c1,RKWIMXZDOAJUNO-UHFFFAOYSA-N
-rxn:5:196408:226652:225684,Cc1cc(-c2cc(-c3ccc(C4CCOCC4)nc3C)ccc2C2=NOCCO2)n(C2CCCCO2)n1,BHQLKBXNFHCOOB-UHFFFAOYSA-N
-rxn:5:196533:223132:225595,O=C1CC(c2ccc(F)c(CN3CCCC3)c2)C(=O)N1c1ccc(-c2cccc(N3CCNCC3)c2)cc1,AERRCXURKYHZGC-UHFFFAOYSA-N
-rxn:5:196533:225976:226709,Cc1cc(C(F)(F)F)cc(C)c1C1CC(=O)N(c2ccc(-c3ccnc(N4CCOCC4)c3F)cc2)C1=O,COFQTVWUDDMLAD-UHFFFAOYSA-N
-rxn:5:196533:226767:225598,COc1ccc(C(F)(F)F)c(-c2ccc(N3C(=O)CC(c4cccc(CN5CCSCC5)c4)C3=O)cc2)c1,ATDJNHYYNOVDHM-UHFFFAOYSA-N
-rxn:5:196791:225976:226395,O=C1COCCN1c1cccc(-c2ccnc(N3CCOCC3)c2F)c1-c1cncc(N2CCCCC2)c1,PZOPJNMENAEJDQ-UHFFFAOYSA-N
-rxn:5:196794:226588:226583,O=C1COCCN1c1cc(-c2cc(OC3CCC3)ncc2F)ccc1-c1ccc(CN2CCOCC2)s1,UMEHDYYJJHZYRW-UHFFFAOYSA-N
-rxn:5:196858:226187:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(C2CCOCC2)ncc1-c1cccc(C2CCOCC2)c1,GGSWCWBWDTZYET-UHFFFAOYSA-N
-rxn:5:196969:225832:226663,Cc1nn(C2CCCCO2)c(C)c1-c1cnc(C2CCCCC2)cc1-c1ccc(N2CCSCC2)nc1,GIJNLEMFCVLTNK-UHFFFAOYSA-N
-rxn:5:196969:226164:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(C2CCCCC2)ncc1-c1ccc(N2CCCCC2)cc1,OTKCSWDSJCGPDK-UHFFFAOYSA-N
-rxn:5:196971:223141:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2cncc(C3CCNCC3)c2)ncc1C1CCCCC1,NDURRWMMACKTAI-UHFFFAOYSA-N
-rxn:5:196978:226686:225514,Cc1cnn(C2CCCCO2)c1-c1ccc(N2CCCCC2)c(-c2cccc3c2OCC2(CC2)CO3)c1,QTOYKTYJGHHPMC-UHFFFAOYSA-N
-rxn:5:197169:225507:223062,COC(=O)C1CCc2cc(-c3cc(-c4cnc(C5CCNCC5)cc4F)cc4c3OCC(C#N)=C4)ccc21,DKIFJIOMPLTNOF-UHFFFAOYSA-N
-rxn:5:197876:223001:228509,CC(C)c1ccc(-c2cc3c(cc2-c2cc(C4CCCNC4)ccc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1,JJFBTMRYFYWWJM-UHFFFAOYSA-N
-rxn:5:197876:223082:228833,CNS(=O)(=O)c1c(C)cc(-c2cc3c(cc2-c2c(F)ccc(C)c2F)C(=O)N(C(C)(C)C)S3(=O)=O)cc1C,PDESPPFRRDKXJP-UHFFFAOYSA-N
-rxn:5:197876:223190:225811,CNS(=O)(=O)c1ccc(F)cc1-c1cc2c(cc1-c1ccc(C3(C(F)(F)F)CC3)cc1)C(=O)N(C(C)(C)C)S2(=O)=O,JCFHOIHQWVQGJI-UHFFFAOYSA-N
-rxn:5:197876:223203:227045,CC(C)(C)Sc1cccc(-c2cc3c(cc2-c2cccc(C4(O)CCC4)c2)S(=O)(=O)N(C(C)(C)C)C3=O)c1,SRJXCHFEVKXAPG-UHFFFAOYSA-N
-rxn:5:197876:225407:228800,CSc1ccc(F)cc1-c1cc2c(cc1-c1ccc(C3CCCCCC3)cc1)S(=O)(=O)N(C(C)(C)C)C2=O,RTIIDFDWZDJVPY-UHFFFAOYSA-N
-rxn:5:197876:225454:228906,CN1CC=C(c2ccc(-c3cc4c(cc3-c3ccnc(C(F)F)c3)C(=O)N(C(C)(C)C)S4(=O)=O)cc2)CC1,CKAZCQBUWXIERC-UHFFFAOYSA-N
-rxn:5:197876:225499:227050,Cc1cc(-c2cc3c(cc2-c2ccc(C4CCCCC4)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)ccc1OC(C)C,VVAHIUOYAHGIDR-UHFFFAOYSA-N
-rxn:5:197876:225601:228419,CSc1cc(F)c(-c2cc3c(cc2-c2ccc(C4(C#N)CCC4)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1F,DVHKLDNMNOVCJR-UHFFFAOYSA-N
-rxn:5:197876:225602:227046,Cc1cc(OC(C)C)cc(-c2cc3c(cc2-c2cc(C4(C#N)CCC4)ccc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,FQLFZDBIGHYOND-UHFFFAOYSA-N
-rxn:5:197876:225602:227950,Cc1ccc(N(C)C)cc1-c1cc2c(cc1-c1cc(C3(C#N)CCC3)ccc1F)S(=O)(=O)N(C(C)(C)C)C2=O,CJNHCFLTOHVCJJ-UHFFFAOYSA-N
-rxn:5:197876:225679:227065,CC(C)C(=O)c1cccc(-c2cc3c(cc2-c2ccc(N4CCCCC4)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,YGFWVHVQFVPKRY-UHFFFAOYSA-N
-rxn:5:197876:225679:227978,CC(C)c1ccc(F)c(-c2cc3c(cc2-c2ccc(N4CCCCC4)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,MPFCSSKEDGCLRE-UHFFFAOYSA-N
-rxn:5:197876:225679:228263,CC(F)(F)c1ccc(-c2cc3c(cc2-c2ccc(N4CCCCC4)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1,MTBGJDGGOJKKBH-UHFFFAOYSA-N
-rxn:5:197876:225816:225395,CC(C)(C)c1cc(-c2cc3c(cc2-c2cc(C4CC4)ccc2C(F)(F)F)S(=O)(=O)N(C(C)(C)C)C3=O)cc(C2CC2)c1,HLOSXOKUPVTQQC-UHFFFAOYSA-N
-rxn:5:197876:225936:228415,CC(C)c1ncc(C(F)(F)F)cc1-c1cc2c(cc1-c1cc(F)ccc1C(F)F)C(=O)N(C(C)(C)C)S2(=O)=O,NLNDOSRYFIDKTF-UHFFFAOYSA-N
-rxn:5:197876:225937:228562,CCC(C)c1csc(-c2cc3c(cc2-c2cc(C(F)(F)F)ncc2C(C)C)S(=O)(=O)N(C(C)(C)C)C3=O)c1,HQOFGOLGCWDZKZ-UHFFFAOYSA-N
-rxn:5:197876:226031:226175,Cc1cc(N2CCCC2)ccc1-c1cc2c(cc1-c1ccc(C(F)(F)F)cc1C(F)F)S(=O)(=O)N(C(C)(C)C)C2=O,DBESFHIPNJHWFD-UHFFFAOYSA-N
-rxn:5:197876:226031:227830,CC1(c2ccc(-c3cc4c(cc3-c3ccc(C(F)(F)F)cc3C(F)F)S(=O)(=O)N(C(C)(C)C)C4=O)cc2)CC1,TXYKYBHNWXCXSV-UHFFFAOYSA-N
-rxn:5:197876:226032:227821,CCc1c(C)cc(C)cc1-c1cc2c(cc1-c1cc(OC)cc(C(F)(F)F)c1F)S(=O)(=O)N(C(C)(C)C)C2=O,HKDGYNBPMUNZLC-UHFFFAOYSA-N
-rxn:5:197876:226032:227922,CCc1cc(OC)ccc1-c1cc2c(cc1-c1cc(OC)cc(C(F)(F)F)c1F)S(=O)(=O)N(C(C)(C)C)C2=O,KDQUICUNYHAXDN-UHFFFAOYSA-N
-rxn:5:197876:226032:228557,COCc1cccc(-c2cc3c(cc2-c2cc(OC)cc(C(F)(F)F)c2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,RVRXJECVTNEEFU-UHFFFAOYSA-N
-rxn:5:197876:226048:227966,CC(C)(C)c1ncccc1-c1cc2c(cc1-c1c(F)ccc(F)c1OC(F)(F)F)S(=O)(=O)N(C(C)(C)C)C2=O,HTZFJALDYLLDCC-UHFFFAOYSA-N
-rxn:5:197876:226048:227971,CC(C)(C)c1ccncc1-c1cc2c(cc1-c1c(F)ccc(F)c1OC(F)(F)F)S(=O)(=O)N(C(C)(C)C)C2=O,AKIBIJYTOANXHH-UHFFFAOYSA-N
-rxn:5:197876:226059:223288,CNS(=O)(=O)c1cccc(-c2cc3c(cc2-c2ccc(C(C)C)cc2C(C)C)S(=O)(=O)N(C(C)(C)C)C3=O)c1,JOKZVJZNPKGSTQ-UHFFFAOYSA-N
-rxn:5:197876:226059:228119,CC(C)Sc1ccc(-c2cc3c(cc2-c2ccc(C(C)C)cc2C(C)C)S(=O)(=O)N(C(C)(C)C)C3=O)cn1,BKGDFIHUEIPEAI-UHFFFAOYSA-N
-rxn:5:197876:226061:227761,CC(C)c1cc(-c2cc3c(cc2-c2ccc(F)cc2C(F)(F)F)C(=O)N(C(C)(C)C)S3(=O)=O)cc(C2CC2)c1,MUDOGWDJHOTUOL-UHFFFAOYSA-N
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-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
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-rxn:5:197876:227073:227052,COc1cc(-c2cc3c(cc2-c2ccc(SC(C)(C)C)cc2)C(=O)N(C(C)(C)C)S3(=O)=O)cc(C2CC2)c1,MOHXIZJGZUGTGW-UHFFFAOYSA-N
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-rxn:4:173802:225943,O=C(c1ccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)s1)N1CCOCC1,FTVIVVCVVCOOCR-UHFFFAOYSA-N
-rxn:4:173802:226583,O=S(=O)(OC(c1ccc(-c2ccc(CN3CCOCC3)s2)cc1)C(F)(F)F)C(F)(F)F,SEBNSOGTWHIQRY-UHFFFAOYSA-N
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-rxn:4:173905:223954,COC(=O)c1ccc(-c2ccc(OCCN3CCC(=O)CC3)c(F)c2)cc1COC(C)=O,XRDJLRPCFLEJDI-UHFFFAOYSA-N
-rxn:4:173920:223952,COC(=O)Cc1cc(-c2ccc(OCCN3CCN(C)CC3)c(Cl)c2)ccc1C(=O)OC,JUSQAZJEGFDBBX-UHFFFAOYSA-N
-rxn:4:174077:224008,COC(=O)c1c(F)cc(-c2cc(C(=O)N3CCOCC3)cc([N+](=O)[O-])c2)cc1OCC1CC1,UBYWUJIXTCXUNV-UHFFFAOYSA-N
-rxn:4:174079:224089,COC(=O)c1cc(F)c(OCC2CC2)cc1-c1ccc(OCCN2CCC(C)CC2)cc1,SNLIRSLPPYYEON-UHFFFAOYSA-N
-rxn:4:174149:224485,CC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2cc(Cl)ccc2OCC(=O)OC(C)(C)C)c1,RPUUTOZVYUPIEL-UHFFFAOYSA-N
-rxn:4:174155:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2cccc(OCC(=O)OC(C)(C)C)c2F)cc1,KHVLXSASRWBYJJ-UHFFFAOYSA-N
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-rxn:4:174515:222637,CC(NC(=O)OC(C)(C)C)c1ccc(-c2ccc(O[Si](C(C)C)(C(C)C)C(C)C)cc2)cc1,BGKLMQDEIRQCHD-UHFFFAOYSA-N
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-rxn:4:175173:223559,COC(=O)C1(Oc2cccc(-c3ccc4c(c3)C(C)=CC(C)(C)N4C(=O)OC(C)(C)C)c2)CC1,MBEXXNMXWFQNIQ-UHFFFAOYSA-N
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-rxn:4:175967:223832,COC(=O)c1cc(-c2cccc(S(C)(=O)=O)c2)ccc1-c1cc(S(=O)(=O)N2CCC(C)CC2)ccc1OC,UPYAMIJIFPNCSU-UHFFFAOYSA-N
-rxn:4:175996:223951,CN1CCN(CCOc2ccc(-c3ccc(OC4CC4)c(SC4CCOCC4)c3)cc2F)CC1,MHTLFHGSQLMURX-UHFFFAOYSA-N
-rxn:4:176017:224834,CC(C)c1cc(-c2cn(S(=O)(=O)N(C)C)nc2C(F)(F)F)ccc1C(=O)OC(C)(C)C,YZTQSNFQQSQZEX-UHFFFAOYSA-N
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-rxn:4:176168:222878,CC(C)[Si](c1c(F)cc(-c2ccc(F)c(C(=O)NC(C)(C)C)c2)cc1F)(C(C)C)C(C)C,YHXVUEJGRCTYPN-UHFFFAOYSA-N
-rxn:4:176215:223784,CCN1CCN(CCOc2ccc(-c3ccc4c(c3)OCCCC4OCCOC)cc2F)CC1,KPJRTHIUEKIEGR-UHFFFAOYSA-N
-rxn:4:176794:223559,COc1ccc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)cc1OC(C)=O,HJDNOHFBKKLVBA-UHFFFAOYSA-N
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-rxn:4:177680:223573,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc(-c4cccc(OC(F)(F)F)c4)c(F)c3)cc2)CC1,GTLGWIBRPQEMRS-UHFFFAOYSA-N
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-rxn:4:179258:223559,C#Cc1ccc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)cc1S(C)(=O)=O,HIYTVISZXRTRFB-UHFFFAOYSA-N
-rxn:4:179408:223559,COC(=O)c1cc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)cc(Cl)c1C,FYWZFWQKULWIMP-UHFFFAOYSA-N
-rxn:4:180949:223492,Cc1cc(-c2cccc(C(F)F)c2Cl)ccc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,OZQHKDNFVQBRHR-UHFFFAOYSA-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:4:182374:222539,CC(=O)c1cc2c(cc1-c1ccc3c(c1)CC(NC(=O)OC(C)(C)C)C3)C(C)(C)CCC2(C)C,UPPLUGKHQLJSEU-UHFFFAOYSA-N
-rxn:4:182374:224402,CCN(CC)S(=O)(=O)c1cc(F)c(F)cc1-c1cc2c(cc1C(C)=O)C(C)(C)CCC2(C)C,GENQARZDJYVYPP-UHFFFAOYSA-N
-rxn:4:183264:222523,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc3c(c2)CCC32CCC(=O)CC2)c(C(F)(F)F)c1,MSTQGVPSURFHKD-UHFFFAOYSA-N
-rxn:4:183272:226619,Cc1nc(N2CCCC2)ncc1-c1ccc2c(c1)OCCOCCOCCOCCOCCO2,SKRJOVDTWDAFLN-UHFFFAOYSA-N
-rxn:4:183273:223118,CCCC(=O)Nc1cccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,ICRZOOMFIZAMJR-UHFFFAOYSA-N
-rxn:4:183273:228199,Cc1nn(C2CCC2)cc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,DGNYAVUZIUFNOT-UHFFFAOYSA-N
-rxn:4:183273:228258,COc1c(F)ccc(C)c1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,JEBVPBNUCWLVJA-UHFFFAOYSA-N
-rxn:4:183274:228420,CSc1c(F)cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCOCCO3)cc1F,HRZNLUBUPQPPFK-UHFFFAOYSA-N
-rxn:4:183605:223840,COC(=O)c1cc(OCC2CC2)c(-c2ccc(OC)c(S(=O)(=O)N3CCN(C)CC3)c2)cc1[N+](=O)[O-],KBPHLYCBWMGXIA-UHFFFAOYSA-N
-rxn:4:183610:225266,CCCOc1ccc(C(F)(F)F)cc1-c1cc(OC(F)(F)F)ccc1OCC(=O)N1CCC1,GSEPXDOEJKIHQD-UHFFFAOYSA-N
-rxn:4:183642:223493,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccc(C(=O)OCC(=O)N(C)c2ccccc2)o1,HYTAPCZKBPGECJ-UHFFFAOYSA-N
-rxn:4:183642:223536,CN(C(=O)COC(=O)c1ccc(-c2cc(F)c(F)c(N3CCN(C(=O)OC(C)(C)C)CC3)c2)o1)c1ccccc1,CCNAPLADWSTCQP-UHFFFAOYSA-N
-rxn:4:183668:222919,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc(C(=O)C(C#N)C(=O)OC(C)(C)C)cc2)cc1,KOTXICOVTPIWCP-UHFFFAOYSA-N
-rxn:4:183668:223550,CC(C)c1cccc(C(C)C)c1OCc1ccccc1-c1ccc(C(=O)C(C#N)C(=O)OC(C)(C)C)cc1,GPZVLLKOTQRXHL-UHFFFAOYSA-N
-rxn:4:183695:224649,O=C(COc1ccc(OC(F)(F)F)cc1-c1cc(F)ccc1OCC1CCCCO1)N1CCCC1,BKUXIOXGPLARLJ-UHFFFAOYSA-N
-rxn:4:183704:227475,CCOC(=O)c1cncc(-c2ccc(OC[C@@H]3CCCN3C(=O)OC(F)(F)F)c(F)c2)c1,AUVGUPMFCMCMFO-INIZCTEOSA-N
-rxn:4:183723:224318,CN1CCN(C(=O)c2ccc(-c3ccc(OC(F)(F)F)cc3OCCN3CCCC3)cc2F)CC1,RWPLYOSUAIAZDC-UHFFFAOYSA-N
-rxn:4:183726:222409,CCCOc1cc(-c2ccc(OC)c(S(N)(=O)=O)c2)ccc1C(=O)ON1C(=O)CCC1=O,VMNMTAQDIFXFPG-UHFFFAOYSA-N
-rxn:4:183726:226606,CCCOc1cc(-c2cc(F)c(OC(C)C)c(Cl)c2)ccc1C(=O)ON1C(=O)CCC1=O,FAGSXRWTSSABOT-UHFFFAOYSA-N
-rxn:4:183729:226842,O=C(COc1ccc(OC(F)(F)F)cc1-c1cncc(C(=O)C(F)(F)F)c1)N1CCOCC1,GMBCJTCEKGTTNQ-UHFFFAOYSA-N
-rxn:4:183763:224075,CC(C)(C)OC(=O)ON(c1ccc(F)cc1-c1ccc2ccn([Si](C)(C)C(C)(C)C)c2c1)C1CC1,NONSUMFQVKSDIO-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:4:183794:223938,CCN(CC)C(C)(C(=O)OC)c1ccc(F)c(-c2cc3cc(Cl)ccc3n2C(=O)OC(C)(C)C)c1,HERJGUUFIGDTRB-UHFFFAOYSA-N
-rxn:4:183814:224845,CC(=O)Oc1ccc(N(C(C)=O)S(=O)(=O)c2ccc(Cl)cc2)cc1-c1cc(C(C)(C)C)cc(C(C)(C)C)c1,GCNYHDLOSKPCJR-UHFFFAOYSA-N
-rxn:4:183819:224842,CCN(C(=O)OC(C)(C)C)c1cc(OC)cc(-c2ccc3c(c2)C(C)(C)CCC3(C)C)c1,VOXBYFKSEVQZFE-UHFFFAOYSA-N
-rxn:4:183825:224970,CC(C)(C)OC(=O)N(Cc1cc(Cl)cc(-c2ccc(S[Si](C)(C)C(C)(C)C)cc2)c1)C1CC1,PBURSGOJKNQLIC-UHFFFAOYSA-N
-rxn:4:183828:225898,CC(C)(C)OC(=O)N(Cc1cc(F)cc(-c2cnn(CCN3CCOCC3)c2)c1)C1CC1,XLEUXCWIFIKCAL-UHFFFAOYSA-N
-rxn:4:183833:223500,C#Cc1ccc(-c2ccc(F)c(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1OC1CN(C(=O)OC(C)(C)C)C1,DPTPIMAWRIVKBF-UHFFFAOYSA-N
-rxn:4:183834:226851,COc1cc(-c2ccccc2S(=O)(=O)N(C(=O)OC(C)(C)C)C2CC2)c(C(F)(F)F)cn1,UJMZBYQNPGQFAX-UHFFFAOYSA-N
-rxn:4:183862:222684,COC(=O)CN1CCC(COc2ccc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)cc2)CC1,GFCMXWJDXIYRFV-UHFFFAOYSA-N
-rxn:4:183862:222888,COC(=O)CN1CCC(COc2ccc(-c3ccc(CN4CCNCC4)c(Cl)c3)cc2)CC1,YLXYTIKQKCFQRL-UHFFFAOYSA-N
-rxn:4:183872:224587,COCCOc1cc(-c2ccc(CN3CCC(C)CC3)c(F)c2)ccc1C(=O)N1CCCCC1,JVYPUNKORRIODP-UHFFFAOYSA-N
-rxn:4:183872:225264,COCCOc1cc(-c2ccc(C(=O)OC)c(C(=O)OC)c2)ccc1C(=O)N1CCCCC1,VCZJLWUDTAHKEV-UHFFFAOYSA-N
-rxn:4:183873:225273,CCCOc1cc(C(F)(F)F)ccc1-c1cc(OCCN2CCCCC2)cc(C(=O)OC)c1,NRIDRDNHHZOUQS-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:4:183880:224590,CC1CCN(Cc2ccc(-c3ccc(OCC4CN(C(=O)OC(C)(C)C)C4)c(F)c3)c(F)c2)CC1,WFORZDMOJZASCS-UHFFFAOYSA-N
-rxn:4:183880:225664,CC(C)(C)OC(=O)N1CC(COc2ccc(-c3ccc(N4CCCCC4)cc3Cl)cc2F)C1,BTLGFRGRZYOLPC-UHFFFAOYSA-N
-rxn:4:183885:226541,COC(=O)c1ccc(-c2ccccc2OCCCN2CCCC(C(F)(F)F)C2)cc1OC,XRFOBEMOEVDUMI-UHFFFAOYSA-N
-rxn:4:183892:227342,COC(=O)c1cc(OCCN2CCC(F)(F)CC2)cc(-c2ccc(C(=O)OC)c(C)c2)c1,TVWWNTSVBFJFIU-UHFFFAOYSA-N
-rxn:4:183894:224247,CC1CCN(C(=O)c2ccc(-c3cccc(F)c3OCCCN3CCC(C(F)(F)F)CC3)c(F)c2)CC1,MDSDBJICUBJYND-UHFFFAOYSA-N
-rxn:4:183899:223882,Cc1cccc2c1cc(-c1c(Cl)cccc1CN(C(=O)OC(C)(C)C)C(C)C)n2C(=O)OC(C)(C)C,HKZONCHTICQLSK-UHFFFAOYSA-N
-rxn:4:183900:225269,COC(=O)c1ccc(-c2cc(F)ccc2CN(C(=O)OC(C)(C)C)C(C)C)c(C(=O)OC)c1,POZLUBFKBSXNBX-UHFFFAOYSA-N
-rxn:4:183962:224742,COc1cc(OC)c(C2OCCO2)cc1-c1cc(C)cc(OCC2CN(C(=O)OC(C)(C)C)C2)c1,MYDICDZBFXBTBH-UHFFFAOYSA-N
-rxn:4:183962:225210,Cc1cc(OCC2CN(C(=O)OC(C)(C)C)C2)cc(-c2cnc(N3CCC(C)CC3)nc2C)c1,TVLNQQZIDXUNHL-UHFFFAOYSA-N
-rxn:4:183969:225738,CCCCOc1cc(F)c(-c2ccc(S(=O)(=O)N3CCC(C(=O)OCC)CC3)cc2OC)cc1F,GSFXHQOMGJRVQO-UHFFFAOYSA-N
-rxn:4:183969:226308,CCOC(=O)C1CCN(S(=O)(=O)c2ccc(-c3ccc(C(=O)OC)c(CC)c3)c(OC)c2)CC1,RYCQUPSRSOPNMW-UHFFFAOYSA-N
-rxn:4:183969:227352,CCOC(=O)C1CCN(S(=O)(=O)c2ccc(-c3cc(C)ccc3C(=O)OC)c(OC)c2)CC1,LPDCOEYXOFHJIF-UHFFFAOYSA-N
-rxn:4:183983:224275,Cc1ccc(-c2nn(C(=O)OC(C)(C)C)c3ccccc23)cc1CN(C(=O)OC(C)(C)C)C(C)C,SZJVYZSWDJFUJE-UHFFFAOYSA-N
-rxn:4:183983:225553,Cc1ccc(-c2ccc(C(=O)N(C)C(C)C)cc2)cc1CN(C(=O)OC(C)(C)C)C(C)C,VZWIEKBLEKXSEU-UHFFFAOYSA-N
-rxn:4:183985:224272,CC(C)[Si](Oc1ccc(-c2cc3ccncc3n2C(=O)OC(C)(C)C)c(C#N)c1)(C(C)C)C(C)C,QJSZQQWMCYXTBI-UHFFFAOYSA-N
-rxn:4:184001:228214,COC(=O)C1(c2ccc(-c3cnc(C4CC4)cc3F)cc2Cl)CCN(C(=O)OC(C)(C)C)C1,FUQQASAWWANUBB-UHFFFAOYSA-N
-rxn:4:184055:223818,COc1cc(-c2c(F)cc(F)c3c2ccn3C(=O)OC(C)(C)C)ccc1OC1CCN(C(=O)OC(C)(C)C)CC1,ORFIZNYMTGQYAF-UHFFFAOYSA-N
-rxn:4:184064:224078,Cc1ccc(CN(C(=O)OC(C)(C)C)C2CCCC2)c(-c2cccc3c2ccn3[Si](C)(C)C(C)(C)C)c1,LMFJURDBTYAYAV-UHFFFAOYSA-N
-rxn:4:184070:223288,CNS(=O)(=O)c1cccc(-c2ccc(C3(C(=O)OC)CCN(C(=O)OC(C)(C)C)C3)c(C)c2)c1,YXJXXASFLLDPDN-UHFFFAOYSA-N
-rxn:4:184094:223881,Cc1ccc2cc(-c3ccccc3C(=O)N(Cc3ccc(C(C)C)cc3)C3CCS(=O)(=O)C3)n(C(=O)OC(C)(C)C)c2c1,OWNXJWCEMPJFGJ-UHFFFAOYSA-N
-rxn:4:184096:228429,CSc1ccc(F)c(-c2ccc(CN(C(=O)OC(C)(C)C)C3CCC(C)(C)CC3)cc2)c1F,VNHHOIYATFAQON-UHFFFAOYSA-N
-rxn:4:184099:226345,COC(=O)c1cc(-c2ccc(C(C)N(C(=O)OC(C)(C)C)C3CCC(C)(C)CC3)cc2)c(C)cc1C,NZJBXRGXVQNWCI-UHFFFAOYSA-N
-rxn:4:184113:224970,CCOC(=O)c1cn(C2CC2)c2c(OC(F)F)c(-c3ccc(S[Si](C)(C)C(C)(C)C)cc3)ccc2c1=O,LPQADQMUMKUVIW-UHFFFAOYSA-N
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-rxn:4:184219:223122,CC(C)C(=O)Nc1cccc(-c2cc3cc(O[Si](C)(C)C(C)(C)C)ccc3n2C(=O)OC(C)(C)C)c1,RVFWCZCFGSTVSW-UHFFFAOYSA-N
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-rxn:4:185348:226371,CCCOc1cc(S(=O)(=O)N2CC(C)OC(C)C2)ccc1-c1cnc(N2CCCC2)cc1C,JGXZIJCYVBEJCN-UHFFFAOYSA-N
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-rxn:4:185367:226842,CC1CCN(C(=O)COc2ccc(C(C)C)cc2-c2cncc(C(=O)C(F)(F)F)c2)CC1,FJDBHWCYDQLZDV-UHFFFAOYSA-N
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-rxn:4:185407:223753,COc1ccc(C2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccc(C)c(OCCCN2CCN(C)CC2)c1,PHBOQDUDTFASQR-UHFFFAOYSA-N
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-rxn:4:185425:223695,COc1ccc(-c2cccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)cc1S(=O)(=O)N1CCC(Cc2ccccc2)CC1,DWPYNVIBTCQJCN-UHFFFAOYSA-N
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-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:4:185428:227268,CCOCc1ccc(F)cc1-c1cc(C(C)(C)C)ccc1OCC(=O)N1CCC(C)CC1,YWZMORPXYYNAMS-UHFFFAOYSA-N
-rxn:4:185432:223938,Cc1cc(OC2CCN(C(=O)OC(C)(C)C)CC2)cc(C)c1-c1cc2cc(Cl)ccc2n1C(=O)OC(C)(C)C,IVXDXXJBGHVMKU-UHFFFAOYSA-N
-rxn:4:185440:227086,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3ccnc(C4CCCC4)c3)c(F)c2)CC1,CEBVOCLURNSTPP-UHFFFAOYSA-N
-rxn:4:185465:224421,COC(=O)c1cc2sc(-c3c(C(C)C)cc(C(C)C)cc3C(C)C)cc2n1C(=O)OC(C)(C)C,AIIKMORPWJNHJR-UHFFFAOYSA-N
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-rxn:4:185648:228268,CSc1c(-c2ccc(S(=O)(=O)N(C(=O)C3CCCCC3)c3ccc4oc5c(c4c3)CCCC5)cc2)ccc(C)c1F,UGLAZTYYUHGAPR-UHFFFAOYSA-N
-rxn:4:185866:222545,COC(=O)c1cc(C(F)F)cc(C#N)c1-c1ccc(C(C)(C)NC(=O)OC(C)(C)C)cc1,MQOKNSDPEKIWIX-UHFFFAOYSA-N
-rxn:4:185958:223598,CCOC(=O)Cc1ccnc(Cl)c1-c1ccc(OCCN2CCC3(CC2)OCCO3)c(F)c1,WQOCSXDCHNTCCF-UHFFFAOYSA-N
-rxn:4:186279:223567,CC(C)Oc1ccc2c(c1)cc(-c1ccc(C(=O)N(C)C)cc1OC(F)F)n2C(=O)OC(C)(C)C,GCPRHJSDTZSQSQ-UHFFFAOYSA-N
-rxn:4:186606:223582,CCN(CC)c1cc(-c2cc3ccc(C(=O)OC)cc3n2C(=O)OC(C)(C)C)cc(C(F)(F)F)c1,XCUBTBOGKUTCOJ-UHFFFAOYSA-N
-rxn:4:186713:223810,Cc1cc(-c2ccc(OCC(=O)N3CCCC3)c(F)c2)cc(C)c1S(=O)(=O)N1CCC(C)CC1,CQUOVYGNNUMVOO-UHFFFAOYSA-N
-rxn:4:186713:223842,CC1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2ccc(OCC(=O)N3CCCC3)c(F)c2)CC1,ROABJFKLLYYIRV-UHFFFAOYSA-N
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-rxn:4:186829:223660,CCN(CC)Cc1cc(C)ccc1-c1ccc(CN2CCN(C(=O)OC(C)(C)C)CC2)s1,LNXZSPSKLAZLPH-UHFFFAOYSA-N
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-rxn:4:187389:225189,Cc1cc(CC(=O)N2CCCC(C(F)(F)F)C2)ccc1-c1cccc(CN2C(=O)CCC2=O)c1,RGHQFUPFRMEREH-UHFFFAOYSA-N
-rxn:4:187403:224423,CCC[C@H]1CC[C@H](c2ccc(-c3cc(F)cc(CN(CC)C4CCCCC4)c3)cc2)CC1,KZMSOOWKDBICKF-ALOJWSFFSA-N
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-rxn:4:187428:222546,COC(=O)c1cc(-c2ccc(OCCNC3CCCCC3)c(F)c2)ccc1CN1CCCCC1C,YCUJZCKZBDKGFU-UHFFFAOYSA-N
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-rxn:4:187439:222637,CC(NC(=O)OC(C)(C)C)c1ccc(-c2cc(C3CCCN(C(=O)OC(C)(C)C)C3)co2)cc1,IGVKUIVTLVQAOQ-UHFFFAOYSA-N
-rxn:4:187440:223884,CC(C)(C)OC(=O)N1CCc2cc(-c3coc(C4CCCN(C(=O)OC(C)(C)C)C4)c3)ccc2C1,ZHHLHXSGJZLOGE-UHFFFAOYSA-N
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-rxn:4:187561:227735,Cc1ncc(-c2ccc(Cl)c(C(=O)N3CCC(S(=O)(=O)C(C)(C)C)C3)c2)cc1C(F)(F)F,QYBRYMYCPSWUFC-UHFFFAOYSA-N
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-rxn:4:187571:224621,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3ccc(OCCN4CCSCC4)cc3)cc2)CC1,KPHOPWZRVUTPKH-UHFFFAOYSA-N
-rxn:4:187581:223520,CC1CN(C(=O)OC(C)(C)C)CCC1c1cc(-c2ccc(C(C)N3CCN(C(=O)OC(C)(C)C)CC3)cc2)co1,SFTVWHFAUYKFMC-UHFFFAOYSA-N
-rxn:4:187587:225436,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3ccc(CN4CCCCC4)cc3)cc2Cl)CC1,GBMUBMDQAFSQCM-UHFFFAOYSA-N
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-rxn:4:187634:225798,O=C(C1CCCCC1)N(c1ccc(-c2ccc(OC3CCOCC3)nc2)cc1)C1C=CS(=O)(=O)C1,SYLJUJZNDUXQSL-UHFFFAOYSA-N
-rxn:4:187648:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2ccc(C3(C)CCCN(C(=O)OC(C)(C)C)C3=O)cc2)cc1,NJNVFXFJENARDR-UHFFFAOYSA-N
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-rxn:4:187721:223532,COC(=O)CCc1c[nH]c2ccc(-c3cc(F)cc(CN4CCN(C(=O)OC(C)(C)C)CC4)c3)cc12,KIRSYXLYZKRVEF-UHFFFAOYSA-N
-rxn:4:187810:224249,COC(=O)c1cc(-c2cc(C(=O)N3CCCC(C)C3)ccc2F)cc2c1CCN2CC1CC1,LEXIUTOYZHSVNI-UHFFFAOYSA-N
-rxn:4:187847:223556,CC(C)(C)OC(=O)N1CCc2cc(-c3ccc4c(c3)c3ccccc3n4C(=O)OC(C)(C)C)c(C(F)F)cc21,PDZKYOSVPDOWPV-UHFFFAOYSA-N
-rxn:4:187861:223898,CCC(C)n1cc(C)c2c(C(=O)OC)cc(-c3ccc(N(C(=O)OC(C)(C)C)C(C)C)cc3)cc21,URZDSKMTMQAEIK-UHFFFAOYSA-N
-rxn:4:187878:223898,CC(C)N(C(=O)OC(C)(C)C)c1ccc(-c2ccc3cc(N(C)C(=O)OC(C)(C)C)ccc3c2)cc1,UPEPCKPGOLMERS-UHFFFAOYSA-N
-rxn:4:187918:223534,COc1cc(-c2cc(OC3CCN(C(=O)OC(C)(C)C)CC3)ncc2F)cc2c1OCCN(C(=O)OC(C)(C)C)C2,WAKIWMDDFOAOHW-UHFFFAOYSA-N
-rxn:4:187918:223761,COc1cc(-c2ccc(C3CCCN3C(=O)OC(C)(C)C)cc2)cc2c1OCCN(C(=O)OC(C)(C)C)C2,DKPZXJRODYEXTN-UHFFFAOYSA-N
-rxn:4:187918:226538,CCOC(=O)c1cc(Cl)ccc1-c1cc2c(c(OC)c1)OCCN(C(=O)OC(C)(C)C)C2,WJKUKLCTVZBDLW-UHFFFAOYSA-N
-rxn:4:187969:223582,COC(=O)c1ccc2cc(-c3cccc4c3ccn4[Si](C(C)C)(C(C)C)C(C)C)n(C(=O)OC(C)(C)C)c2c1,UUKMECQDQSSGDE-UHFFFAOYSA-N
-rxn:4:187970:223939,CC(C)[Si](C(C)C)(C(C)C)n1cc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CCO3)c2ccccc21,LITIGLGGPPXSCA-UHFFFAOYSA-N
-rxn:4:187970:224162,CC(C)[Si](C(C)C)(C(C)C)n1cc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CC3)c2ccccc21,BEEBGCWFQUZDDJ-UHFFFAOYSA-N
-rxn:4:187971:223635,CC(C)[Si](C(C)C)(C(C)C)n1ccc2ccc(-c3ccc(C4CCN(C(=O)OC(C)(C)C)CC4)cc3)cc21,YUNLOTHXHZWBEP-UHFFFAOYSA-N
-rxn:4:187973:225640,CC1CCCCN1c1cc(-c2ccccc2C(=O)N2C3CCC2CC(S(=O)(=O)c2ccccc2)C3)ccn1,PSIRWLQLIZJIRM-UHFFFAOYSA-N
-rxn:4:187973:225671,O=C(c1ccccc1-c1cc(C2CCCCC2)ncc1F)N1C2CCC1CC(S(=O)(=O)c1ccccc1)C2,JHGBOLVKOIBRLW-UHFFFAOYSA-N
-rxn:4:188011:224609,CC(=O)N(c1ccc2oc3c(c2c1)CCCC3)S(=O)(=O)c1ccc(-c2cnccc2C(=O)N(C(C)C)C(C)C)cc1,NXWULJOTVTVVDI-UHFFFAOYSA-N
-rxn:4:188485:223845,COC(=O)c1cc(C(F)(F)F)ncc1-c1cc(F)c(F)cc1S(=O)(=O)N1CCN(C)CC1,CIYLUJQNCHVRRJ-UHFFFAOYSA-N
-rxn:4:188930:222524,COC(=O)c1cc(S(N)(=O)=O)c(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC(O)CC2)cc1Cl,LODZLPLNTIYASW-UHFFFAOYSA-N
-rxn:4:188933:223999,COC(=O)c1cc(S(N)(=O)=O)c(F)cc1-c1cc(S(=O)(=O)N2CCC(C)CC2)ccc1F,AHZFFQINCYEUOY-UHFFFAOYSA-N
-rxn:4:189281:223841,Cc1cc(F)c(-c2csc(OCC3CCCCO3)n2)cc1S(=O)(=O)N1CCN(C)CC1,AEBLABNNDVQXNY-UHFFFAOYSA-N
-rxn:4:189507:224391,Cc1cc(S(=O)(=O)N2CCOCC2)ccc1-c1cc(C(F)(F)F)cc(S(=O)(=O)N2CCC2)c1,XTSRUENNDRNDFE-UHFFFAOYSA-N
-rxn:4:189678:224391,Cc1cc(S(=O)(=O)N2CCOCC2)ccc1-c1ccc(C(=O)N(C)C2CCCC2F)o1,IBCMDKOEYRQQLC-UHFFFAOYSA-N
-rxn:4:189684:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3ccc(/C=N/S(=O)C(C)(C)C)cc3F)cc21,MDJDGEOLROSBSS-OCSSWDANSA-N
-rxn:4:189790:223810,COC(=O)c1cnc(C2CCCC2)cc1-c1cc(C)c(S(=O)(=O)N2CCC(C)CC2)c(C)c1,KNZCAZKBRZWBPI-UHFFFAOYSA-N
-rxn:4:189835:224327,CC1CCCN(S(=O)(=O)c2cccc(-c3cc(CN4CCCC4)cc(C(F)(F)F)c3)c2)C1,XWCCJAOFRWUZTM-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:4:189848:224462,CC(=O)N(c1cccc(-c2ccc(C3CCN(C4CC4)CC3)cc2)c1)C1C=CS(=O)(=O)C1,SULIDHLTPODILM-UHFFFAOYSA-N
-rxn:4:189848:224582,CC(=O)N(c1cccc(-c2cccc(N3CCN(C4CC4)CC3)c2)c1)C1C=CS(=O)(=O)C1,NOIHIWPDIYVOIN-UHFFFAOYSA-N
-rxn:4:189935:223835,COC(=O)c1cc(-c2cc(S(=O)(=O)N3CCC(C)CC3)c(C)cc2F)ccc1N1CCOCC1,AGFXJAATWFSJHV-UHFFFAOYSA-N
-rxn:4:190116:223970,CCc1cc(-c2ccc(C)c(S(=O)(=O)N3CCC(C)CC3)c2)ccc1S(=O)(=O)N1CCCC1,JRQQZIMRRWQFAN-UHFFFAOYSA-N
-rxn:4:190143:222604,COc1ccc(-c2cccc(C(=O)N3CCC(OC)CC3)c2F)cc1S(=O)(=O)NC1CCCC1,BMZWPHFFQYLBBO-UHFFFAOYSA-N
-rxn:4:190156:224431,COc1ccc(S(=O)(=O)N2CCC(=O)CC2)cc1-c1c(C)cccc1CN(C(C)C)C(C)C,VFRLDMKKHNTBIH-UHFFFAOYSA-N
-rxn:4:190165:223641,CCc1cc2c(cc1F)cc(-c1cc(C(F)(F)F)cc(S(=O)(=O)N3CCCCC3)c1)n2C(=O)OC(C)(C)C,HDKRAHJFCFWQAB-UHFFFAOYSA-N
-rxn:4:190173:227407,CC(C)(C)c1ncc(Cl)cc1-c1cc(S(=O)(=O)N2CCC(C(F)(F)F)CC2)c(F)cc1F,ZVNJFBBATRWARO-UHFFFAOYSA-N
-rxn:4:190199:223699,CN(Cc1cc(Cl)ccc1-c1ccc(S(=O)(=O)N2CCOCC2)cc1C(F)(F)F)C1CCOCC1,YLVKDBLELBKACD-UHFFFAOYSA-N
-rxn:4:190214:224760,COc1cc(S(=O)(=O)N2CCCCC2)ccc1-c1ccc(S(=O)(=O)N2CCCCC2)cc1,SZNZMHNUINQOEQ-UHFFFAOYSA-N
-rxn:4:190253:222524,CN(C(=O)c1ccc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC(O)CC2)cc1)C1CCCCC1,DQZWQNTYBZUYRR-UHFFFAOYSA-N
-rxn:4:190322:224582,CCS(=O)(=O)N1CCC(c2ccc(-c3cccc(N4CCN(C5CC5)CC4)c3)cc2)CC1,QNGMXYVIRBTUIU-UHFFFAOYSA-N
-rxn:4:190331:224392,COc1ccc(C(=O)N2CCCCC2C)c(-c2cc(S(=O)(=O)N3CCOCC3)ccc2C)c1,ZCQCQYDAYXNFGO-UHFFFAOYSA-N
-rxn:4:190376:222944,COc1ccc(-c2ccc(S(=O)(=O)NC3CC3)cc2F)cc1S(=O)(=O)N1CCCCCC1,BNFCMSAUKHSNIM-UHFFFAOYSA-N
-rxn:4:190406:223899,COc1cc(C(=O)N(C(C)C)C(C)C)ccc1-c1ccc(N([Si](C)(C)C)[Si](C)(C)C)cc1,JTMOVNDQEBFLPZ-UHFFFAOYSA-N
-rxn:4:190433:224420,Cc1cc(-c2cc3c(cc2C)C(C)(C)CCC3(C)C)cc(S(=O)(=O)N2CCCC(C(C)(F)F)C2)c1,YRLUDLDVMSAENW-UHFFFAOYSA-N
-rxn:4:190800:222523,CC(C)(C)NS(=O)(=O)c1ccc(-c2cn(C(=O)OC(C)(C)C)c3cc(F)ccc23)c(C(F)(F)F)c1,ZGRSSWDWHXGXHP-UHFFFAOYSA-N
-rxn:4:190823:223527,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)ccc2-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)C3=O)CC1,QKBTVLYXKKCIAZ-UHFFFAOYSA-N
-rxn:4:190823:224371,COC(=O)C1CCN(c2ncc(-c3ccc4c(c3)CN(C(=O)OC(C)(C)C)C4=O)cn2)CC1,GGMMZHPWMDCQPP-UHFFFAOYSA-N
-rxn:4:190833:222813,CC(C)(C)OC(=O)Nc1ncc(-c2ccc(Cl)c3c2C(=O)N(C(=O)OC(C)(C)C)C3)cc1Cl,LAGUBVBSTOGRSY-UHFFFAOYSA-N
-rxn:4:190848:222537,C[Si](C)(C)OC1(C#N)CCc2cc(-c3cc(C4CCCC4)nc(C4CCCNC4)c3)ccc21,NKRARWNCKOZEIP-UHFFFAOYSA-N
-rxn:4:190848:223992,Cc1ccc(-c2ccc3c(c2)CCC3(C#N)O[Si](C)(C)C)cc1S(=O)(=O)N1CCN(C)CC1,QUWYRUHNFLJWSL-UHFFFAOYSA-N
-rxn:4:190870:222821,CC(C)(C)NS(=O)(=O)c1cc(-c2ccc3c(c2)OCC(=O)N3C(=O)OC(C)(C)C)ccc1F,VIVDMSJTYKTWSC-UHFFFAOYSA-N
-rxn:4:190888:222602,Cc1ccc2c(c1)c(-c1cc(CC(C)C)sc1S(=O)(=O)NC(C)(C)C)cn2C(=O)OC(C)(C)C,WOZHIOGYEPBWFC-UHFFFAOYSA-N
-rxn:4:190890:222602,Cc1ccc2c(-c3cc(CC(C)C)sc3S(=O)(=O)NC(C)(C)C)cn(C(=O)OC(C)(C)C)c2c1,GSXSYJIGHFGGQO-UHFFFAOYSA-N
-rxn:4:190923:223570,COc1ccc2c(c1OC)C(=O)N(c1ccccc1-c1c(F)ncc3c1ccn3[Si](C(C)C)(C(C)C)C(C)C)C2=O,VDYRUIDATBORTA-UHFFFAOYSA-N
-rxn:4:190952:224174,CCN(C(=O)OC(C)(C)C)c1ccc(-c2ccc3c(c2)CCN(C(=O)OC(C)(C)C)C3)cc1,SYZJEFHGQCVCMK-UHFFFAOYSA-N
-rxn:4:190953:223885,CC(C)(C)OC(=O)N1CCc2ccc(-c3ccc4c(c3)CN(C(=O)OC(C)(C)C)CC4)cc2C1,LYCBLHIFCBCAGU-UHFFFAOYSA-N
-rxn:4:190954:223502,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3ccc4c(c3)CCCN4C(=O)OC(C)(C)C)cc2F)CC1,SBOJPGOEWJGZRQ-UHFFFAOYSA-N
-rxn:4:190960:224174,CCN(C(=O)OC(C)(C)C)c1ccc(-c2ccc3c(c2)C(C)N(C(=O)OC(C)(C)C)C3)cc1,MVAFFRUQVWXBDH-UHFFFAOYSA-N
-rxn:4:190976:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2ccc3c(c2)C(F)(F)CN(C(=O)OC(C)(C)C)C3)cc1,HVCANOTWBQXGEC-UHFFFAOYSA-N
-rxn:4:191030:225370,COC(=O)c1cc(-c2ccc3c(c2)C(C)(C)N(C(=O)OC(C)(C)C)C3)cc(C(F)(F)F)n1,VHNBCLNVXHIUKV-UHFFFAOYSA-N
-rxn:4:191042:222809,CC(C)(C)OC(=O)Nc1cnc(Cl)cc1-c1ccc2c(c1)C(=O)C1(C2)CN(C(=O)OC(C)(C)C)C1,BPCYGJXJJCQAIK-UHFFFAOYSA-N
-rxn:4:191087:225535,CCN(CC)Cc1cc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CCC3(C)C)ccc1Cl,YIUKSBOXLSBFPU-UHFFFAOYSA-N
-rxn:4:191087:225742,CCCOc1cc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CCC3(C)C)cc(Cl)c1OC,QMTITOXRXHSQPC-UHFFFAOYSA-N
-rxn:4:191089:222758,Cc1cc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3(C)C)ccc1NC(=O)OC(C)(C)C,PISUWIFJPMQHJK-UHFFFAOYSA-N
-rxn:4:191089:222919,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3(C)C)cc1,ZRPHWAVZRYQVPG-UHFFFAOYSA-N
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-rxn:4:212607:224592,CCC(CC)C(=O)N1CCC(Oc2ncc(-c3cc(C4(C#N)CCCCC4)ccc3F)cn2)CC1,TTYBGMPWBDBXSU-UHFFFAOYSA-N
-rxn:4:212607:225984,CCC(CC)C(=O)N1CCC(Oc2ncc(-c3cnc(Cl)c(N4CCOCC4)c3)cn2)CC1,GNZJNBQXEPQDHT-UHFFFAOYSA-N
-rxn:4:212607:226259,CCCCOc1ccc(-c2cnc(OC3CCN(C(=O)C(CC)CC)CC3)nc2)cc1Cl,OMFXJHWGKQUCBF-UHFFFAOYSA-N
-rxn:4:212631:225806,O=C(c1cncc(-c2cnc(OC3CCCC3)cc2F)c1)N1CCC(COc2ncccc2C(F)(F)F)CC1,HEZMUHQHTVMFEE-UHFFFAOYSA-N
-rxn:4:212639:224268,CC(C)(C)OC(=O)N1CCN(C(=O)Cc2cncc(-c3ccc4c(cnn4C(=O)OC(C)(C)C)c3)c2)CC1,BBVLBNKOQHHLAT-UHFFFAOYSA-N
-rxn:4:212649:224196,CCN1CCN(Cc2cc(F)cc(-c3cnc(OCC4CCCN(C(=O)C(C)(C)CC)C4)nc3)c2)CC1,UOSUMUVQZSXFRV-UHFFFAOYSA-N
-rxn:4:212650:226249,CCCCOc1cc(Cl)cc(-c2cnc(OCC3CCCN(C(=O)CC(C)(C)C)C3)nc2)c1,RNUZJTKGYWXUHJ-UHFFFAOYSA-N
-rxn:4:212653:223648,COC(=O)c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)c(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2)n1,FEBLMFRURWHASA-UHFFFAOYSA-N
-rxn:4:212656:226728,COC(=O)c1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)c(-c2ccc(OCC(F)F)cc2F)c1,LGWBMFDUMYUORP-UHFFFAOYSA-N
-rxn:4:212685:224396,COC(=O)c1ccc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(S(=O)(=O)N5CCOCC5)c(C)c4)cc3)CC2)c([N+](=O)[O-])c1,SZDHMBRDEZCKAE-UHFFFAOYSA-N
-rxn:4:212705:222833,CC(C)CCC(=O)Nc1cccc(-c2ccccc2CCC(=O)N2CCC(N(C)c3ccccn3)CC2)c1,KTEJARXURBUJPT-UHFFFAOYSA-N
-rxn:4:212722:225671,Cc1ccc(S(=O)(=O)N(Cc2ccc(-c3cc(C4CCCCC4)ncc3F)cc2)C(=O)N2CCN(C)CC2)cc1,FLIABWRVVNTDSN-UHFFFAOYSA-N
-rxn:4:212723:222730,CCCc1cc(-c2ccc(S(=O)(=O)N3CCC(c4nc(-c5ccc(OCC)cc5)no4)CC3)cc2)cc(C2CCNCC2)n1,HSKBWRPNMRVHIC-UHFFFAOYSA-N
-rxn:4:212729:222621,COc1ccc(-c2noc(C3CCCN(S(=O)(=O)c4ccc(-c5cc(CC(C)C)nc(C6CCCNC6)c5)cc4)C3)n2)cc1OC,PZNDMPNJFHOPBB-UHFFFAOYSA-N
-rxn:4:212730:222389,COc1ccc(-c2noc(C3CCCN(S(=O)(=O)c4ccc(-c5cc(C6CCNCC6)nc(C6CCNCC6)c5)cc4)C3)n2)c(OC)c1,BCGNSZPXKJOTFC-UHFFFAOYSA-N
-rxn:4:212730:223061,COc1ccc(-c2noc(C3CCCN(S(=O)(=O)c4ccc(-c5cc(C6CCNCC6)ncc5F)cc4)C3)n2)c(OC)c1,QTPKXYXOHXRKHD-UHFFFAOYSA-N
-rxn:4:212730:223813,COc1ccc(-c2noc(C3CCCN(S(=O)(=O)c4ccc(-c5ccc(CN6CCC7(CC6)OCCO7)c(F)c5)cc4)C3)n2)c(OC)c1,AFPFJOJXMSWWSH-UHFFFAOYSA-N
-rxn:4:212738:224271,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cc4cccnc4n3C(=O)OC(C)(C)C)cc2N2CCOCC2)CC1,RSFKAASMBCJOCM-UHFFFAOYSA-N
-rxn:4:212771:223060,CN(C)CCN(C(=O)C1=COCCO1)c1nc2ccc(-c3cc(Cl)nc(C4CCNCC4)c3)cc2s1,WRONKTSKMMDRCR-UHFFFAOYSA-N
-rxn:4:212771:225233,CC1CCCN(c2cc(-c3ccc4nc(N(CCN(C)C)C(=O)C5=COCCO5)sc4c3)cnc2Cl)C1,CJHUBIYNLGGYAF-UHFFFAOYSA-N
-rxn:4:212771:225874,CN(C)CCN(C(=O)C1=COCCO1)c1nc2ccc(-c3ccc(F)c(N4CCOCC4)c3)cc2s1,JAWVUOJMVBFWAC-UHFFFAOYSA-N
-rxn:4:212771:225883,CN(C)CCN(C(=O)C1=COCCO1)c1nc2ccc(-c3cnc(C4CCOCC4)c(Cl)c3)cc2s1,BYLYDLBDEYOQBQ-UHFFFAOYSA-N
-rxn:4:212771:225977,CN(C)CCN(C(=O)C1=COCCO1)c1nc2ccc(-c3cc(Cl)cnc3N3CCOCC3)cc2s1,SRGNKZPOOWEERQ-UHFFFAOYSA-N
-rxn:4:212771:225978,CN(C)CCN(C(=O)C1=COCCO1)c1nc2ccc(-c3ccc(N4CCOCC4)nc3F)cc2s1,LOGSIQBSIJLFKI-UHFFFAOYSA-N
-rxn:4:212771:225980,CN(C)CCN(C(=O)C1=COCCO1)c1nc2ccc(-c3cc(N4CCOCC4)ncc3F)cc2s1,BWYMFFVMHMQKJD-UHFFFAOYSA-N
-rxn:4:212878:223946,CCN(C(=O)OC(C)(C)C)c1ccc(-c2ccc(-n3nnc(C(=O)OC)c3C(=O)OC)c(F)c2)c(Cl)c1,XZEJPWFPVBXNGQ-UHFFFAOYSA-N
-rxn:4:212966:224279,CC(C)(C)OC(=O)N1CCC(Oc2ncc(-c3ccc4c(c3)ncn4C(=O)OC(C)(C)C)cn2)C1,GTUOBKKJBTUSSH-UHFFFAOYSA-N
-rxn:4:212969:223071,CCS(=O)(=O)NCc1ccc(-c2cnc(OC3CCN(C(=O)CC4CC4)CC3)nc2)cc1,IRFHTVJJNUSNFA-UHFFFAOYSA-N
-rxn:4:212988:222929,CC(C)(C)OC(=O)N1CCN(C(=O)c2csc(-c3cnc(Cl)c(N4CCC(O)CC4)c3)n2)CC1,DQWWPTHUABWKOF-UHFFFAOYSA-N
-rxn:4:212988:223500,CC(C)(C)OC(=O)N1CCN(C(=O)c2csc(-c3ccc(F)c(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c3)n2)CC1,ZLRZRQMPOPLMLP-UHFFFAOYSA-N
-rxn:4:212988:223638,CC(C)(C)OC(=O)N1CCN(C(=O)c2csc(-c3cccc(C4CCCN(C(=O)OC(C)(C)C)C4)c3)n2)CC1,YEHQWZMCLXAKER-UHFFFAOYSA-N
-rxn:4:212988:227658,CN(C)c1cc(Cl)c(-c2nc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cs2)cc1F,WZPSDZOGMBHDKX-UHFFFAOYSA-N
-rxn:4:212992:226335,N#Cc1cc(-c2cnc(OCC3CCCN(S(=O)(=O)C4CC4)C3)nc2)ccc1C1COC1,UWMMDZUHWMANED-UHFFFAOYSA-N
-rxn:4:213011:225977,CC(C)C(=O)N1CCCC(COc2ncc(-c3cc(Cl)cnc3N3CCOCC3)cn2)C1,YSHXSNFQDHRSFC-UHFFFAOYSA-N
-rxn:4:213041:223556,CC(C)(C)OC(=O)N1CCC(Oc2cnc(-c3ccc4c(c3)c3ccccc3n4C(=O)OC(C)(C)C)cn2)CC1,NXKGJPXFFLGJCV-UHFFFAOYSA-N
-rxn:4:213044:223106,CC(C)(C)OC(=O)N1CCC(Oc2ncc(-c3cnc(N4CCC(O)C4)nc3Cl)cn2)CC1,YEBDMCXDXRDZNV-UHFFFAOYSA-N
-rxn:4:213045:223028,CCCNC(=O)c1ccc(F)c(-c2cnc(OCC3CCCN(C(=O)C4CCC4)C3)nc2)c1,MORYKTPPMZMYMK-UHFFFAOYSA-N
-rxn:4:213065:223977,CC(C)(C)OC(=O)c1ccc(C(F)(F)F)cc1-c1cnc(OC2CCCN(C(=O)c3ccc(C(F)(F)F)cc3)C2)nc1,JAJDUYYUXOJYPG-UHFFFAOYSA-N
-rxn:4:213080:223774,COc1cccc2c1cc(-c1cncc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c1)n2C(=O)OC(C)(C)C,SVXHCMHTGNJAMG-UHFFFAOYSA-N
-rxn:4:213100:224368,CN(C(=O)OC(C)(C)C)c1cc(-c2cn(C3CCN(C(=O)OC(C)(C)C)CC3)nc2C(F)(F)F)cnc1Cl,VOWHIASVBXSQPC-UHFFFAOYSA-N
-rxn:4:213112:222622,CCC(C)c1cc(-c2ccccc2S(=O)(=O)N2CCC(COc3ccc(C)nn3)C2)cc(C2CCCNC2)n1,RGIVQVNOCPZXSV-UHFFFAOYSA-N
-rxn:4:213112:222722,Cc1ccc(OCC2CCN(S(=O)(=O)c3ccccc3-c3cccc(S(=O)(=O)N4CCC(O)CC4)c3)C2)nn1,SVWBYSFXJJFRLN-UHFFFAOYSA-N
-rxn:4:213126:223480,Cc1cc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)cn2)cc(C)c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,DIYVZFWVXFFYQW-UHFFFAOYSA-N
-rxn:4:213127:223532,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)cc(-c3ccnc(CN4CCN(C(=O)OC(C)(C)C)CC4)c3)c2)CC1,WULYIENRNAPDPG-UHFFFAOYSA-N
-rxn:4:213127:226538,CCOC(=O)c1cc(Cl)ccc1-c1ccnc(CN2CCN(C(=O)OC(C)(C)C)CC2)c1,NDYOSJIMUPZWRT-UHFFFAOYSA-N
-rxn:4:213130:224397,CC(C)(C)OC(=O)N1CCN(Cc2cncc(-c3ccc(S(=O)(=O)N4CCC(=O)CC4)cc3)c2)CC1,OXBUKPXFSNLDMV-UHFFFAOYSA-N
-rxn:4:213131:224371,COC(=O)C1CCN(c2ncc(-c3cnc(OCC4CCN(C(=O)C(C)(C)C)CC4)nc3)cn2)CC1,XCQRJADROCASEB-UHFFFAOYSA-N
-rxn:4:213132:224592,CC(C)(C)C(=O)N1CCCC(COc2ncc(-c3cc(C4(C#N)CCCCC4)ccc3F)cn2)C1,LSLGHDGGCSMPTO-UHFFFAOYSA-N
-rxn:4:213132:225313,CN1CCN(c2ccc(-c3cnc(OCC4CCCN(C(=O)C(C)(C)C)C4)nc3)c(F)n2)CC1,HRCXGMAGLFWSAT-UHFFFAOYSA-N
-rxn:4:213141:224290,CC(C)(C)OC(=O)N1CCN(c2ccc([N+](=O)[O-])c(-c3ccc(Cl)cc3OCCN3CCOCC3)c2)CC1,BRBTZYSMJICMTM-UHFFFAOYSA-N
-rxn:4:213150:223528,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3ccc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)nc3)ccc2F)CC1,CZHDUHYVCQZQSM-UHFFFAOYSA-N
-rxn:4:213162:222799,COc1ccc(S(=O)(=O)N2CCC(Oc3ncc(-c4ccc(S(=O)(=O)NC(C)(C)C)c(C)c4)cn3)CC2)cc1F,KXEAWSBENAEIJE-UHFFFAOYSA-N
-rxn:4:213180:222546,Cc1cc(C(=O)N2CCC(COc3ncc(-c4ccc(OCCNC5CCCCC5)c(F)c4)cn3)CC2)c(C)o1,FKBDODXMSFSWDW-UHFFFAOYSA-N
-rxn:4:213213:224160,CN(c1cccc(-c2ccc3c(c2)CCN3C(=O)OC(C)(C)C)n1)C1CCN(C(=O)OC(C)(C)C)CC1,QKOIYNWSCCXCKZ-UHFFFAOYSA-N
-rxn:4:213218:223079,CC(C)NS(=O)(=O)c1cccc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)[C@@H](C)C3)nc2)c1,ZXPWUFPJBPLVMS-IBGZPJMESA-N
-rxn:4:213251:222890,COc1cc(-c2cc(S(=O)(=O)N3CCCCC3)cnc2N(C)Cc2ccccc2)cc(C2CCCNC2)n1,GVMBMSLIKQYFBV-UHFFFAOYSA-N
-rxn:4:213289:223938,CC(C)(C)OC(=O)N1CCC(c2nc(C(C)(C)C)ncc2-c2cc3cc(Cl)ccc3n2C(=O)OC(C)(C)C)CC1,UQIGXONCJPFZIW-UHFFFAOYSA-N
-rxn:4:213337:225898,CCCCC(=O)N1CCN(c2nc3ccc(-c4cnn(CCN5CCOCC5)c4)cc3s2)CC1,RUCLUIQTORGZOG-UHFFFAOYSA-N
-rxn:4:213355:226348,CC(C)CS(=O)(=O)C1CN(C(=O)c2c3ccc(-c4ccc(OC(C)(C)C)cc4Cl)cc3nn2C)C1,LZZZMAFZEYBAOC-UHFFFAOYSA-N
-rxn:4:213412:225079,CC(C)CS(=O)(=O)C1CCN(C(=O)c2c3ccc(-c4ccc5cc(OC(F)F)ccc5c4)cc3nn2C)CC1,HFSSYASAZPKJLZ-UHFFFAOYSA-N
-rxn:4:213412:227723,CC(C)CS(=O)(=O)C1CCN(C(=O)c2c3ccc(-c4ccc(OC(F)F)c(Cl)c4)cc3nn2C)CC1,PKQIIFZAIKRVND-UHFFFAOYSA-N
-rxn:4:213642:223636,CC(C)(C)OC(=O)c1cn(-c2ccc(Cl)cc2-c2ccc(C3CCCN(C(=O)OC(C)(C)C)C3)cc2)nn1,AGRRWMHUUFEKEJ-UHFFFAOYSA-N
-rxn:4:213664:222723,CCC(=O)N1CCC(Oc2ncc(-c3cccc(NS(=O)(=O)N4CCOCC4)c3)cn2)CC1,ZASXCALMIVEQMF-UHFFFAOYSA-N
-rxn:4:213679:224010,COc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1cnn(CC2CN(S(=O)(=O)c3ccc(Cl)cc3)C2)c1,LOOZMNKAZQYKSM-UHFFFAOYSA-N
-rxn:4:213713:223534,CC(C)(C)OC(=O)N1CCC(Oc2cc(-c3cnc([C@@H]4CCCN4C(=O)OC(C)(C)C)[nH]3)c(F)cn2)CC1,RHHBUTCEFKAEDT-NRFANRHFSA-N
-rxn:4:213720:223499,CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(-c3ccnn3C3CCN(C(=O)OC(C)(C)C)C3)ccc2Cl)CC1,YROGQTYVBOWJAD-UHFFFAOYSA-N
-rxn:4:213720:223536,CC(C)(C)OC(=O)N1CCN(c2cc(-c3ccnn3C3CCN(C(=O)OC(C)(C)C)C3)cc(F)c2F)CC1,LIUCBHHMKZTNMQ-UHFFFAOYSA-N
-rxn:4:213759:223776,CC(C)(C)OC(=O)N1CCOc2ccc(-c3cnc(C4CCCN4C(=O)OC(C)(C)C)cn3)cc2C1,CRARRDMKGVYHFC-UHFFFAOYSA-N
-rxn:4:213759:225210,Cc1nc(N2CCC(C)CC2)ncc1-c1cnc(C2CCCN2C(=O)OC(C)(C)C)cn1,UDDMXDZXJOWBCQ-UHFFFAOYSA-N
-rxn:4:213764:222439,CC(C)(C)OC(=O)N1CCC(c2cnc(-c3ccc(S(=O)(=O)NC4CCCCC4)cc3C(F)(F)F)cn2)C1,OTYTUIFHJZXOOM-UHFFFAOYSA-N
-rxn:4:213765:222634,CC(C)(C)OC(=O)N1CCC(c2cncc(-c3ccc(OCCNC4CCCC4)c(F)c3)n2)C1,IDVBFZAUCUANCV-UHFFFAOYSA-N
-rxn:4:213766:223521,CC(c1cccc(-c2coc(N3CCN(C(=O)OC(C)(C)C)CC3)n2)c1)N1CCN(C(=O)OC(C)(C)C)CC1,HMRXBZYHJLNKOT-UHFFFAOYSA-N
-rxn:4:213777:222701,CCOC(=O)c1nc(N2CCN(C)CC2)ccc1-c1cc(C2CCCNC2)cc(C(F)(F)F)c1,GHZWHIUBKUKGAB-UHFFFAOYSA-N
-rxn:4:213801:224759,CC(C)(C)OC(=O)N1CCOC(c2cncc(-c3cc(F)cc(C(=O)N4CCOCC4)c3)n2)C1,DQGNPCMIHHGVFK-UHFFFAOYSA-N
-rxn:4:213802:225294,CCN1CCN(c2ncc(-c3cccnc3OC3CCN(S(=O)(=O)N(C)C)CC3)cn2)CC1,WLUBYPJSNHOBTB-UHFFFAOYSA-N
-rxn:4:213802:225805,CC(c1ccc(-c2cccnc2OC2CCN(S(=O)(=O)N(C)C)CC2)s1)N1CCOCC1,MNYBSPCVICRATQ-UHFFFAOYSA-N
-rxn:4:213802:225947,CN1CCN(c2ncc(-c3cccnc3OC3CCN(S(=O)(=O)N(C)C)CC3)cn2)CC1,GJJPKXIAQSSUFQ-UHFFFAOYSA-N
-rxn:4:213802:226583,CN(C)S(=O)(=O)N1CCC(Oc2ncccc2-c2ccc(CN3CCOCC3)s2)CC1,DECVTZUCSWEWRA-UHFFFAOYSA-N
-rxn:4:213802:226661,CN1CCN(c2csc(-c3cccnc3OC3CCN(S(=O)(=O)N(C)C)CC3)c2)CC1,HXVITDYAZFBFJR-UHFFFAOYSA-N
-rxn:4:213839:225898,CC(C)(C)OC(=O)N1CCC(n2ccnc2-c2cnn(CCN3CCOCC3)c2)CC1,JDTUAIDFFBMISE-UHFFFAOYSA-N
-rxn:4:213868:223997,Cc1cc(-c2cnc(OC3CCCN(S(=O)(=O)c4cccc(Cl)c4)C3)nc2)cc(C)c1S(=O)(=O)N1CCOCC1,OOSCYOPAGUMJTE-UHFFFAOYSA-N
-rxn:4:213871:222848,CCc1cc(-c2cnc(OC3CCCN(S(=O)(=O)c4ccc(F)c(F)c4)C3)nc2)cc(C2CCCNC2)n1,MABVQPNWUQNSED-UHFFFAOYSA-N
-rxn:4:213875:222928,Cc1nc(N2CCC(O)CC2)ncc1-c1cccc(N2CCN(C(=O)OC(C)(C)C)CC2)n1,OSGBPJDIINFFNU-UHFFFAOYSA-N
-rxn:4:213875:225975,CC(C)(C)OC(=O)N1CCN(c2cccc(-c3ccnc(N4CCOCC4)c3Cl)n2)CC1,QOTGWSPOARZCNT-UHFFFAOYSA-N
-rxn:4:213876:225984,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(Cl)c(N4CCOCC4)c3)nc2)CC1,RMLWHWRBDMGZEI-UHFFFAOYSA-N
-rxn:4:213877:223493,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ccn1,ISVDMCHBGJQHPR-UHFFFAOYSA-N
-rxn:4:213877:225947,CN1CCN(c2ncc(-c3cc(N4CCN(C(=O)OC(C)(C)C)CC4)ccn3)cn2)CC1,GNMQSPRHUJAGAW-UHFFFAOYSA-N
-rxn:4:213879:225984,CC(C)(C)OC(=O)N1CCN(c2cccnc2-c2cnc(Cl)c(N3CCOCC3)c2)CC1,WZDHIUKKIYEZKK-UHFFFAOYSA-N
-rxn:4:213880:223588,Cc1cc(-c2ccncc2N2CCN(C(=O)OC(C)(C)C)CC2)cnc1N1CCN(C(=O)OC(C)(C)C)CC1,PCYRSAKTNMXWAA-UHFFFAOYSA-N
-rxn:4:213880:223652,COc1ccc(Cl)c2cc(-c3ccncc3N3CCN(C(=O)OC(C)(C)C)CC3)n(C(=O)OC(C)(C)C)c12,YBQMLHZBWXCVHS-UHFFFAOYSA-N
-rxn:4:213884:224826,CCOC(=O)c1cc(-c2nccc(C3CCN(C(=O)OC(C)(C)C)CC3)n2)cnc1C(F)(F)F,VKFDHUMYRNOGEB-UHFFFAOYSA-N
-rxn:4:213890:224171,CC(C)(C)OC(=O)N1CCC(c2cc(-c3ccc(OCCCN4CCCC4)c(F)c3)ncn2)CC1,BGYNESADKDSYER-UHFFFAOYSA-N
-rxn:4:213901:225982,CC(C)(C)OC(=O)N1CCN(c2nc(Cl)ccc2-c2cnc(N3CCOCC3)cc2F)CC1,MXCCCACTTCCFIA-UHFFFAOYSA-N
-rxn:4:213910:227476,CCOC(=O)c1ccc(-c2cccnc2OC2CCN(S(=O)(=O)N3CCOCC3)C2)cn1,KOWFVBHUDWPTKD-UHFFFAOYSA-N
-rxn:4:213910:227777,O=[N+]([O-])c1cc(F)c(F)cc1-c1cccnc1OC1CCN(S(=O)(=O)N2CCOCC2)C1,SCXWAMYFDXBMKE-UHFFFAOYSA-N
-rxn:4:213938:224392,Cc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1ccc(S(=O)(=O)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1,VOWRSMIVFBDBHS-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:4:213950:223076,O=S(=O)(NC1CC1)c1cccc(-c2cnc(OC3CCN(S(=O)(=O)C4CCCCC4)C3)nc2)c1,NUANMZIEDHCYDK-UHFFFAOYSA-N
-rxn:4:213961:223810,Cc1cnccc1OCC1CCN(c2ccc(-c3cc(C)c(S(=O)(=O)N4CCC(C)CC4)c(C)c3)cn2)CC1,PYXROFKFHJSDMU-UHFFFAOYSA-N
-rxn:4:213982:223886,CC1CN(C(=O)OC(C)(C)C)CCC1c1cc(-c2cccc3c2CCN(C(=O)OC(C)(C)C)C3)ncn1,VNSQCGCYFKNDBP-UHFFFAOYSA-N
-rxn:4:213985:223527,Cc1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)c(-c2ccc(F)cc2CN2CCN(C(=O)OC(C)(C)C)CC2)c1,GMWDAMADCOODRT-UHFFFAOYSA-N
-rxn:4:213990:223589,Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1C,NJPPFNUIPVMADJ-UHFFFAOYSA-N
-rxn:4:213994:226842,C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1c1cncc(-c2cncc(C(=O)C(F)(F)F)c2)c1,SPAAQYCECAMXNK-CQSZACIVSA-N
-rxn:4:214001:225898,CC1CN(c2ncc(-c3cnn(CCN4CCOCC4)c3)cc2F)CCN1C(=O)OC(C)(C)C,RJWSNQPDFZWFFG-UHFFFAOYSA-N
-rxn:4:214014:223581,COC(=O)c1cccc2cc(-c3cncc(C(=O)N4CCCSCC4CN4CCCC4)c3)n(C(=O)OC(C)(C)C)c12,SCJOWFIXSSQLPV-UHFFFAOYSA-N
-rxn:4:214014:226746,CCc1cnc(C(F)(F)F)cc1-c1cncc(C(=O)N2CCCSCC2CN2CCCC2)c1,SCZQZBHOVWRDTD-UHFFFAOYSA-N
-rxn:4:214018:224686,CC(=O)N1N=C(c2ccc(-c3ccc(C(=O)N4CCCCC4)cc3F)cc2)CC1c1ccc(N(C)C)cc1,ZEEQNGXBZNVTPF-UHFFFAOYSA-N
-rxn:4:214033:222592,Cc1ccc(NS(=O)(=O)c2ccc(-c3cc(C4=N[C@@H](C(C)C)CO4)nc(C4=N[C@@H](C(C)C)CO4)c3)cc2)cc1,JBSQGCCDLFLNMB-VSGBNLITSA-N
-rxn:4:214059:223589,Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1ccc(N2CCC3(CC2)CN(C(=O)OC(C)(C)C)C3)nc1,KHTKUGOWDYUXOP-UHFFFAOYSA-N
-rxn:4:214069:222701,Cc1ccc(S(=O)(=O)N2CCCC(c3nc(-c4ccc(-c5cc(C6CCCNC6)cc(C(F)(F)F)c5)cc4)no3)C2)cc1,BUZCAWMJTADJAR-UHFFFAOYSA-N
-rxn:4:214220:223889,CC(C)(C)OC(=O)N1CCc2cccc(-c3ccc4[nH]c(C5CCCN5C(=O)OC(C)(C)C)nc4c3)c2C1,NQUPKDSEWYHIQY-UHFFFAOYSA-N
-rxn:4:214231:225882,CC(C)(C)OC(=O)N1CCOC(c2cn3c(-c4cnc(Cl)c(C5CCOCC5)c4)cccc3n2)C1,CTOSNXNVDHICTN-UHFFFAOYSA-N
-rxn:4:214273:222948,CC(C)(C)OC(=O)N1CCC(n2cnc3ccc(-c4cnc(N5CCC(O)CC5)nc4Cl)cc32)CC1,HHSSKFNCVKIHPX-UHFFFAOYSA-N
-rxn:4:214273:223823,CC(C)(C)OC(=O)N1CCC(n2cc(-c3ccc4ncn(C5CCN(C(=O)OC(C)(C)C)CC5)c4c3)cn2)CC1,NRFQNBFGQQNANR-UHFFFAOYSA-N
-rxn:4:214273:224834,CN(C)S(=O)(=O)n1cc(-c2ccc3ncn(C4CCN(C(=O)OC(C)(C)C)CC4)c3c2)c(C(F)(F)F)n1,VDCRJAMHHFVJCN-UHFFFAOYSA-N
-rxn:4:214630:224819,O=C(c1[nH]nc(C2CC2)c1-c1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCOCC1,GSLADXRWMAOFPD-UHFFFAOYSA-N
-rxn:4:214638:225799,O=[N+]([O-])c1cc(-c2cncc(OC3CCOCC3)c2)cnc1N1CCC(C(F)(F)F)CC1,WDNKMVRWDCNOQX-UHFFFAOYSA-N
-rxn:4:214669:222723,CC(=O)N1CCC(Cc2cnc(-c3cccc(NS(=O)(=O)N4CCOCC4)c3)cn2)CC1,JKUNEAFFVKTNPT-UHFFFAOYSA-N
-rxn:4:214711:222748,CCS(=O)(=O)N1CCN(c2ccc(-c3cccc(C(=O)NCC4CCCO4)c3)cn2)CC1,HPBHAAYBQTUNGF-UHFFFAOYSA-N
-rxn:4:214711:224597,CCS(=O)(=O)N1CCN(c2ccc(-c3cc(C4CC4)cc(N4CCOCC4)c3)cn2)CC1,QLMXYXGBKZONBJ-UHFFFAOYSA-N
-rxn:4:214752:225165,COc1cc(-c2nc(C(=O)N3CCN(C(C)C)CC3)ccc2F)ccc1N1CCOCC1,ZPBSFXJANJUDEK-UHFFFAOYSA-N
-rxn:4:214787:223894,CN1CCN(CCCOc2cccc(-c3ccc(S(=O)(=O)N4CCN(c5ccccn5)C(=O)C4)cc3)c2)CC1,WZFYJMDSZXKIJQ-UHFFFAOYSA-N
-rxn:4:214819:223650,CC(C)(C)OC(=O)N1CCN(c2ccccc2-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCCC3)C2)CC1,ORDSCHDMLMJOAP-UHFFFAOYSA-N
-rxn:4:214819:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cc(Cl)cnc3N3CCOC(C(=O)N4CCCC4)C3)ccn2)CC1,UUHIIOSBWLNICN-UHFFFAOYSA-N
-rxn:4:214836:226255,CCCCOc1ccc(Cl)cc1-c1cc(Cl)cnc1N1CCOC(C(=O)N2CCSCC2)C1,HBZHHWQLFQTCRF-UHFFFAOYSA-N
-rxn:4:214836:226580,CN(C)C(=O)c1ccc(F)c(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCSCC3)C2)c1,DCRWTQDHRRMXDD-UHFFFAOYSA-N
-rxn:4:214837:226585,CN(C)C(=O)c1ccc(Cl)c(-c2cnc(N3CCOC(C(=O)N4CCSCC4)C3)c(Cl)c2)c1,RLCWMXCRIAYAME-UHFFFAOYSA-N
-rxn:4:214838:225251,CCOC(=O)c1cnn2ccc(-c3cnc(N4CCOC(C(=O)N5CCOCC5)C4)c(F)c3)cc12,MRNJEOOQHDKVPO-UHFFFAOYSA-N
-rxn:4:214859:224010,COc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1ccc(S(=O)(=O)N2CCCC(c3ccn(C)n3)C2)cc1,FEUWTPVVGYCGBD-UHFFFAOYSA-N
-rxn:4:214862:226512,O=C(c1cncc(-c2ccncc2OCC2CCO2)c1)N1CCCN(C2CCSC2)CC1,PDJGCWLNUHHDNN-UHFFFAOYSA-N
-rxn:4:214868:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cccnc3N3CCOC(C(=O)N4CCCCC4)C3)c2Cl)CC1,NKBYRCUUPXXROV-UHFFFAOYSA-N
-rxn:4:214871:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cnc(N4CCCC(C(=O)N5CCOCC5)C4)c(Cl)c3)ccn2)CC1,SMFXRBYKQYSOOV-UHFFFAOYSA-N
-rxn:4:214873:225978,O=C(C1CCCN(c2ncc(-c3ccc(N4CCOCC4)nc3F)cc2F)C1)N1CCOCC1,PSMIRXSKBFDZQZ-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:4:214890:226719,CCOC(=O)c1cnc(Cl)c(-c2cncc(C(=O)N3CCCN(C4CCSCC4)CC3)c2)c1,KFRPFAIDVATKQB-UHFFFAOYSA-N
-rxn:4:215054:223948,COC(=O)c1cc(C(=O)OC(C)(C)C)cc(-c2ncn3c2CCN(C(=O)OC(C)(C)C)C3=O)c1,WJTLLPBVCOJYFR-UHFFFAOYSA-N
-rxn:4:215134:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3ccc(Sc4nc(N5CCOCC5)c5sccc5n4)cc3)c2Cl)CC1,FKOULCTUHJBVRH-UHFFFAOYSA-N
-rxn:4:215197:222826,O=S(=O)(c1cccc(-c2ccccc2S(=O)(=O)N2CCC3CN(c4ccccn4)CC32)c1)N1CCNCC1,FHLRUXHJCMCPNG-UHFFFAOYSA-N
-rxn:4:215822:222466,c1c(-c2nc(C3CC3)cc(N3CCCC3)n2)cc(C2CCNCC2)nc1C1CCCCC1,VFAVPZCJIIWISP-UHFFFAOYSA-N
-rxn:4:215879:222524,CN(C)C1CCN(c2ccc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCC(O)CC3)cn2)C1,KUNTVMDNQDVRIS-UHFFFAOYSA-N
-rxn:4:215891:222612,CN1CCN(c2ccc([N+](=O)[O-])c(-c3cc(S(=O)(=O)N4CCC(O)CC4)ccc3F)c2)CC1,QLAJFMJLSTWMDF-UHFFFAOYSA-N
-rxn:4:215898:222723,CS(=O)(=O)N1CCC(c2cnc(-c3cccc(NS(=O)(=O)N4CCOCC4)c3)cn2)CC1,JTFYUAIYPHTHLY-UHFFFAOYSA-N
-rxn:4:215899:222582,CS(=O)(=O)N1CCCC(c2cnc(-c3cccc(C(=O)NCCN4CCOCC4)c3)cn2)C1,LLUREGVEIJUVHO-UHFFFAOYSA-N
-rxn:4:215904:222723,CS(=O)(=O)N1CCN(c2ccc(-c3cccc(NS(=O)(=O)N4CCOCC4)c3)cn2)CC1,PJONCSLZRFGHPP-UHFFFAOYSA-N
-rxn:4:215940:222584,CN(C)C1CCN(c2ccc(-c3ccc(OCCCN4CCNCC4)c(F)c3)nc2)CC1,WFRFNGOBMWJTRA-UHFFFAOYSA-N
-rxn:4:215966:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3nc(C4CC4)cc(N4CCC(C)CC4)n3)c2)CC1,AFJQKBZIYBNFSM-UHFFFAOYSA-N
-rxn:4:215981:223508,CC(C)(C)c1cc(N2CCCCC2)nc(-c2ccc(N3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)nc2)n1,WZJZTJURHPQCAV-UHFFFAOYSA-N
-rxn:4:215981:224322,CC1CCN(S(=O)(=O)c2ccc(-c3nc(N4CCCCC4)cc(C(C)(C)C)n3)cc2)CC1,YFKMUTAYPJTZHC-UHFFFAOYSA-N
-rxn:4:215989:225986,CN1CCN(C2CCN(c3ccc(-c4ccccc4N4CCCS4(=O)=O)cc3)CC2)CC1,ITOPZRJUZXZCFM-UHFFFAOYSA-N
-rxn:4:215989:225987,CN1CCN(C2CCN(c3ccc(-c4ccc(N5CCCS5(=O)=O)cc4)cc3)CC2)CC1,MSFKPERLJANWIV-UHFFFAOYSA-N
-rxn:4:215990:223098,CC(=O)NS(=O)(=O)c1ccc(-c2ccc(N3CCN(C4CCN(C)CC4)CC3)cc2)cc1,ORWUORIZCPFDNQ-UHFFFAOYSA-N
-rxn:4:215990:225986,CN1CCC(N2CCN(c3ccc(-c4ccccc4N4CCCS4(=O)=O)cc3)CC2)CC1,AALFJEFQKCVJGD-UHFFFAOYSA-N
-rxn:4:215990:225987,CN1CCC(N2CCN(c3ccc(-c4ccc(N5CCCS5(=O)=O)cc4)cc3)CC2)CC1,IQQKQSZOHXUMBJ-UHFFFAOYSA-N
-rxn:4:216089:223474,COC(=O)C1CCn2c(nnc2-c2ccc(OCc3ccccc3)c(C34CC5CC(CC(C5)C3)C4)c2)C1,YBHWFBCIAHOCQR-UHFFFAOYSA-N
-rxn:4:216231:224022,C=C1CC2CCC(C1)N2c1nc(SC)ncc1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1,ZIGAQGFHLNSOFZ-UHFFFAOYSA-N
-rxn:4:216267:225753,COC(=O)c1cnc(C2CC2)c(-c2c(C(=O)N3CCCC4CCCCC43)cnn2C)c1,ONSSQLSMEZDWJR-UHFFFAOYSA-N
-rxn:4:217173:223480,Cc1cc(-c2nccc(N3CCCC(C)C3)n2)cc(C)c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,GGUYJNSLRGEJPZ-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:4:218582:223812,O=C(Cc1cccnc1)N1CCCC(COc2ncc(-c3cc(F)cc(CN4CCC5(CC4)OCCO5)c3)cn2)C1,AVOPYJYEMQLISB-UHFFFAOYSA-N
-rxn:4:218663:225975,CN(C)c1ccc(C(=O)N2CCC(COc3ncc(-c4ccnc(N5CCOCC5)c4Cl)cn3)CC2)cc1,QQRYBJVPOCGDSR-UHFFFAOYSA-N
-rxn:4:218696:228342,Cc1nn(C(C)CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c(C)c1-c1cccc(OC(F)F)c1,CRTMPVKBBIAICF-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:4:218777:222970,Cc1nn(C(C)CC(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)c(C)c1-c1ccccc1C(=O)NCC(C)C,VGESXPJZPYKUAS-UHFFFAOYSA-N
-rxn:4:218777:225727,CCOC(=O)c1ccc(OC)c(-c2c(C)nn(C(C)CC(=O)N3CCN(S(=O)(=O)c4ccc5ccccc5c4)CC3)c2C)c1,BUQGPGKWDNHTJZ-UHFFFAOYSA-N
-rxn:4:218848:222723,O=C(c1cc(C2CC2)on1)N1CCC(Oc2ncc(-c3cccc(NS(=O)(=O)N4CCOCC4)c3)cn2)C1,CZRUZBNHLVGVPQ-UHFFFAOYSA-N
-rxn:4:218882:222723,O=C(c1ccccn1)N1CCCC(COc2ncc(-c3cccc(NS(=O)(=O)N4CCOCC4)c3)cn2)C1,BXPAJCIGOMLPCK-UHFFFAOYSA-N
-rxn:4:218896:222584,O=C(c1cncc(F)c1)N1CCCC(COc2ncc(-c3ccc(OCCCN4CCNCC4)c(F)c3)cn2)C1,NYKCCCOZNWMVLD-UHFFFAOYSA-N
-rxn:4:218914:223670,Cc1nc(CN2CCC(COc3ncc(-c4cccnc4N4CCN(C(=O)OC(C)(C)C)CC4)cn3)CC2)cs1,RCDDOBOLKGDYQA-UHFFFAOYSA-N
-rxn:4:218917:223761,CC(C)(C)OC(=O)N1CCN(C(=O)c2ncc(-c3ccc(C4CCCN4C(=O)OC(C)(C)C)cc3)cn2)CC1,GGXJACQODNPGPW-UHFFFAOYSA-N
-rxn:4:218974:224391,Cc1cc(OCC2CCN(c3ncc(-c4ccc(S(=O)(=O)N5CCOCC5)cc4C)cc3C#N)CC2)ccn1,BDGLVIBGFNOQEC-UHFFFAOYSA-N
-rxn:4:218991:222810,Cn1cc(-c2cc(NC(=O)OC(C)(C)C)ncc2Cl)c(CN2CCN(C(=O)OC(C)(C)C)CC2)n1,OXKBQYPXADOUHN-UHFFFAOYSA-N
-rxn:4:218991:225210,Cc1nc(N2CCC(C)CC2)ncc1-c1cn(C)nc1CN1CCN(C(=O)OC(C)(C)C)CC1,KTMCQDGAQNPDSG-UHFFFAOYSA-N
-rxn:4:218991:226539,CCOC(=O)c1ccc(Cl)cc1-c1cn(C)nc1CN1CCN(C(=O)OC(C)(C)C)CC1,JJOKLWVAWLMRGN-UHFFFAOYSA-N
-rxn:4:218991:226715,Cn1cc(-c2cnn(C(=O)OC(C)(C)C)c2)c(CN2CCN(C(=O)OC(C)(C)C)CC2)n1,MOWGVHVKXYJYEN-UHFFFAOYSA-N
-rxn:4:219011:223505,CN(c1cnc(-c2ccc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cc2)cn1)C1CCN(C(=O)OC(C)(C)C)CC1,UMSSTTBQIQQCES-UHFFFAOYSA-N
-rxn:4:219036:223812,Cc1nc(-n2cccc2)sc1C(=O)N1CCC(Oc2ncccc2-c2cc(F)cc(CN3CCC4(CC3)OCCO4)c2)CC1,JSSNSQDYOLBKCI-UHFFFAOYSA-N
-rxn:4:219046:227218,O=C1C(N2CCCC(COc3ncc(-c4ccccc4OCCCF)cn3)C2)CCN1C1CC1,GHRONZLQJRQJOC-UHFFFAOYSA-N
-rxn:4:219048:223481,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCC(N(c5ccncn5)C5CC5)CC4)cc3)c(F)c2)CC1,OHNYQAKJWIRXGV-UHFFFAOYSA-N
-rxn:4:219062:223058,Cc1nn(C(C)C)c(C)c1S(=O)(=O)N1CCC(Oc2ncccc2-c2cc(F)nc(C3CCCNC3)c2)C1,YVSIYNOATFFRMN-UHFFFAOYSA-N
-rxn:4:219062:225661,Cc1cc(N2CCOCC2)ccc1-c1cccnc1OC1CCN(S(=O)(=O)c2c(C)nn(C(C)C)c2C)C1,KNGKPINYKBETJX-UHFFFAOYSA-N
-rxn:4:219071:223810,Cc1ccc(-c2cc(C(=O)N3CCN(S(=O)(=O)c4ccc(-c5cc(C)c(S(=O)(=O)N6CCC(C)CC6)c(C)c5)cc4)CC3)n[nH]2)cc1,QFDFEUBUBUEDPW-UHFFFAOYSA-N
-rxn:4:219077:223894,COc1ccc(C(=O)N2CCCN(c3cc(-c4ccc(-c5cccc(OCCCN6CCN(C)CC6)c5)cc4)n[nH]3)CC2)cc1F,RENJXWBUPPYDAW-UHFFFAOYSA-N
-rxn:4:219128:224501,CN1CCCCC1COc1ccc(-c2cnc(OCC3CCN(Cc4nc5c(s4)CCC5)CC3)nc2)cc1,LNIZVGCRBSOHLO-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:4:219312:223532,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)cc(-c3cnc(OCC4CCCN(c5nccs5)C4)nc3)c2)CC1,NRUWPTZYTDOTBQ-UHFFFAOYSA-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:4:219353:223054,CC(c1ccc(-c2cnc(OC3CCN(S(=O)(=O)N(C)C)CC3)nc2)s1)N1CCC(O)C1,KXKNXAOBPWXIKH-UHFFFAOYSA-N
-rxn:4:219353:226427,CC1CCN(c2csc(-c3cnc(OC4CCN(S(=O)(=O)N(C)C)CC4)nc3)c2)CC1,GJEISWFGWZKMCL-UHFFFAOYSA-N
-rxn:4:219371:225287,CC(C)(C)OC(=O)c1cnc(Cl)cc1-c1nncn1C1CCN(C(=O)OC(C)(C)C)CC1,YOUKPCRWZCXJSO-UHFFFAOYSA-N
-rxn:4:219388:224462,O=C(c1ccc(-c2ccc(C3CCN(C4CC4)CC3)cc2)o1)N1CCCN(S(=O)(=O)c2c[nH]cn2)CC1,MTAOZHSFWUQDFY-UHFFFAOYSA-N
-rxn:4:219404:222791,CC(C)(C)OC(=O)Nc1ccc(Cl)c(-c2cncc(N3CCN(C(=O)OC(C)(C)C)CC3)n2)c1,ARHCZARIQGAPEO-UHFFFAOYSA-N
-rxn:4:219404:225287,CC(C)(C)OC(=O)c1cnc(Cl)cc1-c1cncc(N2CCN(C(=O)OC(C)(C)C)CC2)n1,XMTITDXGRRGRNX-UHFFFAOYSA-N
-rxn:4:219407:223685,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3ccc(OC(F)(F)F)c(OCc4cccnc4)c3)cn2)CC1,WYXDCZLDKBHQRK-UHFFFAOYSA-N
-rxn:4:219410:222828,O=S(=O)(NC1CC1)c1cc(F)c(F)cc1-c1cnc(OC2CCN(S(=O)(=O)N3CCOCC3)C2)nc1,AUJBZWLMOSHGBN-UHFFFAOYSA-N
-rxn:4:219410:223176,CS(=O)(=O)NCc1cccc(-c2cnc(OC3CCN(S(=O)(=O)N4CCOCC4)C3)nc2)c1,PGKQFPMRNKMGSP-UHFFFAOYSA-N
-rxn:4:219410:223387,CCOC(=O)c1cc(-c2cnc(OC3CCN(S(=O)(=O)N4CCOCC4)C3)nc2)[nH]n1,ZSUGAZBXVRSKED-UHFFFAOYSA-N
-rxn:4:219410:227495,CCN(C)c1cc(-c2cnc(OC3CCN(S(=O)(=O)N4CCOCC4)C3)nc2)c(F)cn1,LJIMWKIXEFHQNB-UHFFFAOYSA-N
-rxn:4:219410:227496,CCN(C)c1cc(F)c(-c2cnc(OC3CCN(S(=O)(=O)N4CCOCC4)C3)nc2)cn1,UNGNCIJSUJXOOQ-UHFFFAOYSA-N
-rxn:4:219410:227500,CCN(C)c1ncc(-c2cnc(OC3CCN(S(=O)(=O)N4CCOCC4)C3)nc2)cc1Cl,XCGUFQKCCIURFX-UHFFFAOYSA-N
-rxn:4:219410:227710,CS(=O)(=O)Oc1ccc(-c2cnc(OC3CCN(S(=O)(=O)N4CCOCC4)C3)nc2)cc1,WRAANLRXFWCLRS-UHFFFAOYSA-N
-rxn:4:219410:227778,O=[N+]([O-])c1c(F)cc(F)cc1-c1cnc(OC2CCN(S(=O)(=O)N3CCOCC3)C2)nc1,VLAXEGPQVSSPGY-UHFFFAOYSA-N
-rxn:4:219410:227797,O=[N+]([O-])c1cc(F)c(Cl)cc1-c1cnc(OC2CCN(S(=O)(=O)N3CCOCC3)C2)nc1,VOROGVMTGVHPSW-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:4:219419:225657,Cc1nc(N2CCN(C(=O)c3ccc(-c4ccc(N5CCOCC5)c(C)c4)o3)CC2)cc(C(F)(F)F)n1,QFPAJZSQNZYXSZ-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:4:219436:227496,CCN(C)c1cc(F)c(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)c(C#N)c2)cn1,MZUCXKKVFONLDM-UHFFFAOYSA-N
-rxn:4:219436:227500,CCN(C)c1ncc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)c(C#N)c2)cc1Cl,VJGAMIJJEHSNBC-UHFFFAOYSA-N
-rxn:4:219439:222723,O=S(=O)(Nc1cccc(-c2cccc(CN3CCN(c4nccc(C(F)(F)F)n4)CC3)c2)c1)N1CCOCC1,KQEWOFUOIZKVPS-UHFFFAOYSA-N
-rxn:4:219452:223529,Cc1nc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)c(F)c2)n(C2CCN(C(=O)OC(C)(C)C)CC2)n1,FZQLONFKVSTYIH-UHFFFAOYSA-N
-rxn:4:219463:223602,Cc1cc(OCC2CCN(c3ncc(-c4ccnc(N5CCN(C(=O)OC(C)(C)C)CC5)c4Cl)cn3)CC2)ccn1,YTTWXAPYWRXMGL-UHFFFAOYSA-N
-rxn:4:219534:224734,O=C(c1cncc(-c2ccc(C(F)(F)F)cc2OCC2CC2)c1)N1CCC(n2nc(C3CC3)ccc2=O)CC1,OBUNKYBVIFUPHL-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:4:219691:226729,CC(C)(C)OC(=O)N1CCCC(c2cc(Cl)n3ncc(-c4cnc(OC5CCOC5)nc4)c3n2)C1,REVURJBTCNDRTN-UHFFFAOYSA-N
-rxn:4:219706:223492,Cc1cc(-c2cc3ncnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3cc2Cl)ccc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,RIVGYNBCKLTDBJ-UHFFFAOYSA-N
-rxn:4:219706:223576,CC(C)(C)OC(=O)N1CCC(Oc2cccc(-c3cc4ncnc(N5CCN(C(=O)OC(C)(C)C)CC5)c4cc3Cl)c2)CC1,UHQQVXLTZURGPJ-UHFFFAOYSA-N
-rxn:4:219706:223646,CC(C)(C)OC(=O)N1CCN(c2ncnc3cc(-c4ccc(OC5CCN(C(=O)OC(C)(C)C)C5)cc4)c(Cl)cc23)CC1,WUWCBVPDBYZVON-UHFFFAOYSA-N
-rxn:4:219707:227517,CC(C)(C)OC(=O)N1CCN(c2ncnc3c(F)c(-c4ccc(OC5COC5)nc4)c(Cl)cc23)CC1,JALCBWUZYTZCGX-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:4:219840:223660,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cnc(N4CCN(CCF)CC4)nc3)s2)CC1,GYGCGISRDCCETC-UHFFFAOYSA-N
-rxn:4:219880:222621,CSc1ncc(-c2cc(CC(C)C)nc(C3CCCNC3)c2)c(N2CCN(S(C)(=O)=O)CC2)n1,OHIGVXHCLNYJDZ-UHFFFAOYSA-N
-rxn:4:219880:223489,CSc1ncc(-c2ccc(S(=O)(=O)N3CCC(O[Si](C)(C)C(C)(C)C)CC3)cc2)c(N2CCN(S(C)(=O)=O)CC2)n1,NOFZZZZCNSSQKZ-UHFFFAOYSA-N
-rxn:4:219880:224770,CSc1ncc(-c2cc(C)cc(S(=O)(=O)N3CCCC3)c2)c(N2CCN(S(C)(=O)=O)CC2)n1,FEEUKYXCZPUSOG-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:4:219908:224376,CN1CCCN(c2oc(-c3ccc(-c4cccc(S(=O)(=O)N5CCN(C)CC5)c4)o3)nc2C#N)CC1,DFYDQAHLNJVOIL-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:4:219955:223491,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cnc(N4CCOC(C(=O)N5CCSCC5)C4)nc3)cc(C(F)(F)F)c2)CC1,ZOTLJDLVWWBGDE-UHFFFAOYSA-N
-rxn:4:219956:223595,Cc1ncnc(N2CCC(Oc3ccncc3-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)c(F)c3)C2)c1C,OCIFHYDSXHMCFZ-UHFFFAOYSA-N
-rxn:4:219982:223790,Cc1ccc(N2CCN(Cc3ccc(-c4cncc(C5CCCN5C(=O)OC(C)(C)C)c4)cc3)CC2)nn1,SVXAJMFGWUQPGY-UHFFFAOYSA-N
-rxn:4:219988:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cnc(N4CCCC(C(=O)N5CCOCC5)C4)nc3)c2Cl)CC1,FCEDEXDXLUMEIV-UHFFFAOYSA-N
-rxn:4:220034:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2nc3n(n2)CCN(C(=O)CC(C)C)C3)cc1,BDIFVHWCQCCXIJ-UHFFFAOYSA-N
-rxn:4:220191:224672,CCN1CCN(c2ccc(-c3ccc4nc(N5CCOC(C(=O)N6CCCC6)C5)ncc4c3)c(Cl)c2)CC1,UUMAKNPKCXLGRA-UHFFFAOYSA-N
-rxn:4:220495:223898,CC(=O)C(C)n1c(-c2ccc(N(C(=O)OC(C)(C)C)C(C)C)cc2)nc2c1c(=O)n(C)c(=O)n2C,BPCJTFULRCQAQT-UHFFFAOYSA-N
-rxn:4:220558:223712,COc1ccc(-c2cc3c(s2)-n2c(nnc2C2CCCCC2)CN=C3c2ccccc2Cl)cc1C12CC3CC(CC(C3)C1)C2,QMWWDHPGXNMLHX-UHFFFAOYSA-N
-rxn:4:220810:223481,CN1CCN(c2cc(-c3ccc(S(=O)(=O)N4CCC(O[Si](C)(C)C(C)(C)C)CC4)cc3F)ncn2)CC1,AIBSFVFOCKUXAO-UHFFFAOYSA-N
-rxn:4:220935:223528,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3cnc4ccc(N5CCOCC5)nn34)ccc2F)CC1,PASBLONEDSUKAF-UHFFFAOYSA-N
-rxn:4:220935:223531,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cnc4ccc(N5CCOCC5)nn34)cc2Cl)CC1,WMNVPWHQKAJCFN-UHFFFAOYSA-N
-rxn:4:220936:223536,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cn4ccnc4c(N4CCOCC4)n3)cc(F)c2F)CC1,OZAJKIURFKKNFD-UHFFFAOYSA-N
-rxn:4:221090:223761,CCOC(=O)c1cnc(N2CCCC2)nc1Cn1cc(-c2ccc(C3CCCN3C(=O)OC(C)(C)C)cc2)cn1,HGQCPRRXHFRMQS-UHFFFAOYSA-N
-rxn:4:221090:223790,CCOC(=O)c1cnc(N2CCCC2)nc1Cn1cc(-c2cncc(C3CCCN3C(=O)OC(C)(C)C)c2)cn1,VUNFGKZTVLAFJR-UHFFFAOYSA-N
-rxn:4:221090:224715,CCCCOc1cc(C(F)(F)F)ccc1-c1cnn(Cc2nc(N3CCCC3)ncc2C(=O)OCC)c1,APIKBQHPQCOFFA-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:4:221107:225877,Cc1ncn(CC(=O)N2CCCC(COc3ncc(-c4ccc(Cl)cc4N4CCOCC4)cn3)C2)c(=O)c1C,ACSJZHCAEJYSIR-UHFFFAOYSA-N
-rxn:4:221107:225975,Cc1ncn(CC(=O)N2CCCC(COc3ncc(-c4ccnc(N5CCOCC5)c4Cl)cn3)C2)c(=O)c1C,LHWLUFOSCIXKKC-UHFFFAOYSA-N
-rxn:4:221127:223993,CCOC(=O)C1CCN(c2nc3c(S(=O)(=O)c4ccc(-c5ccc(S(=O)(=O)N6CCN(C)CC6)c(C)c5)cc4)nnn3c3ccsc23)CC1,XMTGAZWNAROSDH-UHFFFAOYSA-N
-rxn:4:221127:225297,CCOC(=O)C1CCN(c2nc3c(S(=O)(=O)c4ccc(-c5cccc(S(=O)(=O)N6CCCC6)c5)cc4)nnn3c3ccsc23)CC1,XSGOZLJCHQATDZ-UHFFFAOYSA-N
-rxn:4:221166:223522,CSc1ncc(-c2cc(F)cc(N3CCC(O[Si](C)(C)C(C)(C)C)CC3)c2)c(N2CCC(COc3cnccn3)CC2)n1,AVPSLQJSXCJJPI-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:4:221180:223787,Cc1cc(C(=O)N2CCC(COc3ncc(-c4ccc(OCCCN5CCN(C)CC5)c(F)c4)cn3)CC2)nn1C,UEFVSLKCMDQCND-UHFFFAOYSA-N
-rxn:4:221186:222541,CN(CC1CCN(c2ncc(-c3ccc(C(=O)NCCN4CCCCC4)cc3)cn2)CC1)c1cc(C(F)(F)F)ccn1,BTCZIMAUCASWBQ-UHFFFAOYSA-N
-rxn:4:221193:226231,CCCCOc1ncc(-c2cnc(OCC3CCCN(C(=O)N4CCN(C)CC4)C3)nc2)cc1C,OHJUTPQLGFCWSP-UHFFFAOYSA-N
-rxn:4:221207:223257,CONC(=O)c1ccc(-c2ccc(CCN3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)cc1,NCTQJIWGNFIEPI-UHFFFAOYSA-N
-rxn:4:221221:223790,CC(C)(C)OC(=O)N1CCCC1c1cncc(-c2cncc(C(=O)N3CCC(COc4ccc5nccn5n4)CC3)c2)c1,BAKXMPGPNNEZCB-UHFFFAOYSA-N
-rxn:4:221227:222546,O=C(c1ccc2nccnc2c1)N1CCCC(COc2ncc(-c3ccc(OCCNC4CCCCC4)c(F)c3)cn2)C1,GOTXSTGVNCEJDC-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:4:221249:225976,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc4c(-c5ccnc(N6CCOCC6)c5F)cnn4c3)cc2)CC1,UITBHRLIHOOWLY-UHFFFAOYSA-N
-rxn:4:221341:223596,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)ccc2-c2cnc(OCC3CCCN(c4cnccn4)C3)nc2)CC1,KJEWUNJHTNTMGL-UHFFFAOYSA-N
-rxn:4:221341:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cnc(OCC4CCCN(c5cnccn5)C4)nc3)c2Cl)CC1,ZTIYFNXMYPWYIN-UHFFFAOYSA-N
-rxn:4:221382:223573,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cncc(C(=O)N4CCN(c5ccc(C6CC6)nn5)CC4)c3)cc2)CC1,NIUKBNPDKVJZNT-UHFFFAOYSA-N
-rxn:4:221404:223992,Cc1ccc(-c2cccc(CN3CCN(c4ccnc(N(C)C)n4)CC3)c2)cc1S(=O)(=O)N1CCN(C)CC1,AMQVUQVPVDPJTM-UHFFFAOYSA-N
-rxn:4:221411:224196,CCN1CCN(Cc2cc(F)cc(-c3cncc(C(=O)N4CCC(c5nn(C)c(=O)n5C5CC5)CC4)c3)c2)CC1,KOXMXOQGRXRTCW-UHFFFAOYSA-N
-rxn:4:221412:223650,Cc1nc(C)c(C)c(OCC2CCN(c3ncc(-c4ccccc4N4CCN(C(=O)OC(C)(C)C)CC4)cn3)CC2)n1,JKFHUDXMOFDDBO-UHFFFAOYSA-N
-rxn:4:221422:224377,CN1CCN(S(=O)(=O)c2ccc(-c3ccc(Cl)c(C(=O)N4CCN(c5ccc(N6CCOCC6)nn5)CC4)c3)cc2)CC1,IHEQTTVVSDTSCY-UHFFFAOYSA-N
-rxn:4:221423:222833,CC(C)CCC(=O)Nc1cccc(-c2ccccc2CN2CCN(c3ccc(N4CCOCC4)nn3)CC2)c1,KIHFZQREYYPUFQ-UHFFFAOYSA-N
-rxn:4:221429:222835,CC(C)CC(=O)NCc1ccc(-c2ccc(CN3CCN(c4nccc(N5CCOCC5)n4)CC3)cc2)cc1,JJLGLSFPPUTXNN-UHFFFAOYSA-N
-rxn:4:221432:223997,Cc1cc(N2CCCC2)nc(N2CCN(C(=O)c3cccc(-c4cc(C)c(S(=O)(=O)N5CCOCC5)c(C)c4)c3)CC2)n1,DKXDIOUUASLNNF-UHFFFAOYSA-N
-rxn:4:221438:227710,CC1CCCCN1c1ccc(N2CCN(C(=O)c3ccc(-c4ccc(OS(C)(=O)=O)cc4)o3)CC2)nn1,UQLHKNFSORVFBF-UHFFFAOYSA-N
-rxn:4:221446:223170,Cc1cc(N2CCOCC2)nc(N2CCN(Cc3ccc(-c4cnc(C5CCCNC5)nc4)cc3)CC2)n1,MEFPOYFYDLYYML-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:4:221456:225286,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(F)ncc4C(=O)OC(C)(C)C)cc3)CC2)n1,VZRYSOSTCCYXAB-UHFFFAOYSA-N
-rxn:4:221456:227476,CCOC(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)cn1,BXFMUDGJGYYOPM-UHFFFAOYSA-N
-rxn:4:221456:227710,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(OS(C)(=O)=O)cc4)cc3)CC2)n1,BNEAWUWCDLIHKM-UHFFFAOYSA-N
-rxn:4:221498:222546,CC(C)(C)OC(=O)N1CCN(c2ncnc3[nH]cc(-c4ccc(OCCNC5CCCCC5)c(F)c4)c23)CC1,DUCITQNOCOFSGV-UHFFFAOYSA-N
-rxn:4:221498:222584,CC(C)(C)OC(=O)N1CCN(c2ncnc3[nH]cc(-c4ccc(OCCCN5CCNCC5)c(F)c4)c23)CC1,NKNVSWQCPAZOGV-UHFFFAOYSA-N
-rxn:4:221498:223493,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1c[nH]c2ncnc(N3CCN(C(=O)OC(C)(C)C)CC3)c12,IEUVDRLLHUECAV-UHFFFAOYSA-N
-rxn:4:221642:223572,CC1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCC(N5CC(=O)N(C6CC6)C5=O)CC4)nc3)c3ccccc23)CC1,NKGORXDJHCPSQB-UHFFFAOYSA-N
-rxn:4:221723:223928,CC(C)(C)OC(=O)N1CCc2ncc(-c3cnc(N4CCC(Cn5nc6c(cc5=O)CCC6)CC4)nc3)cc2C1,KNZKBSDSNWBJOU-UHFFFAOYSA-N
-rxn:4:221726:222537,CN(C1=NS(=O)(=O)c2ccccc21)C1CCN(c2ncc(-c3cc(C4CCCC4)nc(C4CCCNC4)c3)cn2)CC1,HOWLHWVDHKDGAZ-UHFFFAOYSA-N
-rxn:4:221726:222742,CN(C1=NS(=O)(=O)c2ccccc21)C1CCN(c2ncc(-c3cc(C4CCNCC4)nc(C4CC4)c3)cn2)CC1,VLOFPYDXIFQSCU-UHFFFAOYSA-N
-rxn:4:221726:222857,COc1cc(-c2cnc(N3CCC(N(C)C4=NS(=O)(=O)c5ccccc54)CC3)nc2)cc(C2CCNCC2)c1,LTXCQCLQIWEOCC-UHFFFAOYSA-N
-rxn:4:221726:222988,Cc1cc(-c2cnc(N3CCC(N(C)C4=NS(=O)(=O)c5ccccc54)CC3)nc2)cc(C2CCNCC2)n1,RPWYSKGXXIAIAQ-UHFFFAOYSA-N
-rxn:4:221726:225047,Cc1cc(-c2cnc(N3CCC(N(C)C4=NS(=O)(=O)c5ccccc54)CC3)nc2)cnc1N1CCC(C)CC1,QYJJKINTISXQNZ-UHFFFAOYSA-N
-rxn:4:221726:225683,Cc1nc(C2CCCOC2)ccc1-c1cnc(N2CCC(N(C)C3=NS(=O)(=O)c4ccccc43)CC2)nc1,HBVDVMBKSKLPTA-UHFFFAOYSA-N
-rxn:4:221726:226654,CC1CCN(c2nc(-c3cnc(N4CCC(N(C)C5=NS(=O)(=O)c6ccccc65)CC4)nc3)cs2)CC1,NVMQGFZOKSHSET-UHFFFAOYSA-N
-rxn:4:221726:226662,CN1CCN(c2ccc(-c3cnc(N4CCC(N(C)C5=NS(=O)(=O)c6ccccc65)CC4)nc3)s2)CC1,AUWGYMIIJMATGS-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:4:221836:222857,COc1cc(-c2cnc(N3CCCN(C4=NS(=O)(=O)c5ccccc54)CC3)nc2)cc(C2CCNCC2)c1,OKFMVHCOJQJRSM-UHFFFAOYSA-N
-rxn:4:221836:224949,COc1ccc(-c2cnc(N3CCCN(C4=NS(=O)(=O)c5ccccc54)CC3)nc2)cc1CN1CCCC1,CBSUUIOSDXECKB-UHFFFAOYSA-N
-rxn:4:221836:225943,O=C(c1ccc(-c2cnc(N3CCCN(C4=NS(=O)(=O)c5ccccc54)CC3)nc2)s1)N1CCOCC1,DEJUMRVNMFBVJR-UHFFFAOYSA-N
-rxn:4:221913:224306,Cn1nnnc1SCC(=O)N1CCC(Oc2ncccc2-c2ccc(C(F)(F)F)cc2OC2CCCC2)CC1,VCLUGJHSWIHOLH-UHFFFAOYSA-N
-rxn:4:221980:223788,CC(C)(C)OC(=O)N1CCN(c2cc(=O)n3nc(-c4cncc(-c5ccc(OC6CN(C(=O)OC(C)(C)C)C6)cc5)c4)sc3n2)CC1,ICKXGRAJCZXSJW-UHFFFAOYSA-N
-rxn:4:221996:223534,CC(C)(C)OC(=O)N1CCC(Oc2cc(-c3cnn(CC4CN(c5nccnc5C#N)C4)c3)c(F)cn2)CC1,JOQFZRWCVYIHFI-UHFFFAOYSA-N
-rxn:4:221996:223595,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnn(CC4CN(c5nccnc5C#N)C4)c3)cc2F)CC1,ZASNNGGHHFGOBK-UHFFFAOYSA-N
-rxn:4:221996:223596,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)ccc2-c2cnn(CC3CN(c4nccnc4C#N)C3)c2)CC1,DVEBEXNKQNGPHW-UHFFFAOYSA-N
-rxn:4:222008:223945,Cc1nnc(CN2CCC(Oc3ncc(-c4ccc(OCCCN5CCOCC5)c(F)c4)cn3)CC2)n1C,GBQHGLQKQPKHLO-UHFFFAOYSA-N
-rxn:4:222031:222628,CN(C)c1nccc(N2CCN(c3ncc(C(F)(F)F)cc3-c3cc(C4CCC4)nc(C4CCCNC4)c3)CC2)n1,FFXJJWFXQHXDSH-UHFFFAOYSA-N
-rxn:4:222031:223493,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1cc(C(F)(F)F)cnc1N1CCN(c2ccnc(N(C)C)n2)CC1,KBLVCFGRNYSMIL-UHFFFAOYSA-N
-rxn:4:222032:224770,Cc1cc(-c2cnc(N3CCN(c4ccnc(N(C)C)n4)CC3)c(C(F)(F)F)c2)cc(S(=O)(=O)N2CCCC2)c1,LNQAYAHPQBMEBH-UHFFFAOYSA-N
-rxn:4:222054:222956,Cc1ccc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCN(C)CC5)nn4)CC3)o2)c(C2CCCNC2)c1,QSUKCXHKLLUQAU-UHFFFAOYSA-N
-rxn:4:222062:225312,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cnc(N5CCCN(C)CC5)nc4)cc3)CC2)n1,FFJWEABXODZRPP-UHFFFAOYSA-N
-rxn:4:222062:228200,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccnn4C4CCCC4)cc3)CC2)n1,USXQGXOFLWVEHO-UHFFFAOYSA-N
-rxn:4:222077:223591,CC(C)(C)OC(=O)N1CCN(c2ccc(F)c(-c3cnc(OCC4CCCN(c5nccn6nccc56)C4)nc3)c2)CC1,YGGLEZMBBFMYKG-UHFFFAOYSA-N
-rxn:4:222153:223508,Cc1nc(C(F)F)cc(N2CCN(c3ncc(-c4ccc(N5CCN(S(=O)(=O)c6ccc(Cl)cc6)CC5)nc4)cn3)CC2)n1,WQEKKRPHJIMABX-UHFFFAOYSA-N
-rxn:4:222161:223532,Cn1nc(C2CCN(c3ncc(-c4cc(F)cc(CN5CCN(C(=O)OC(C)(C)C)CC5)c4)cn3)CC2)n(C2CC2)c1=O,SMIUSJHWIVZEMP-UHFFFAOYSA-N
-rxn:4:222168:223499,CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(-c3cnc(N4CCN(c5cc(C6CCOCC6)ncn5)CC4)nc3)ccc2Cl)CC1,HUTPKUYTSROBPF-UHFFFAOYSA-N
-rxn:4:222168:225208,Cc1nc(N2CCCC(C)C2)ncc1-c1cnc(N2CCN(c3cc(C4CCOCC4)ncn3)CC2)nc1,BLBBLFGNSCLXCL-UHFFFAOYSA-N
-rxn:4:222252:223918,CSc1ncc(-c2cc(C(=O)N(C)C3CCCCC3)ccc2F)c(N(C)C2CN(c3nccnc3C#N)C2)n1,GKPOBRSHYJOXJP-UHFFFAOYSA-N
-rxn:4:222288:223916,CC(C)N1CCN(C(=O)c2ccc(-c3ccc(Cl)c(C(=O)N4CCN(c5cc(-n6cncn6)ncn5)CC4)c3)cc2)CC1,ZGQSJUGHQZYFAB-UHFFFAOYSA-N
-rxn:4:222335:223810,Cc1cc(N2CCN(c3ncc(-c4cc(C)c(S(=O)(=O)N5CCC(C)CC5)c(C)c4)cn3)CC2)nc(N2CCCC2)n1,IENPTMMLZRRGGG-UHFFFAOYSA-N
-rxn:4:222335:225313,Cc1cc(N2CCN(c3ncc(-c4ccc(N5CCN(C)CC5)nc4F)cn3)CC2)nc(N2CCCC2)n1,ZJPFLCPGSRNWEO-UHFFFAOYSA-N
-rxn:4:222338:223055,Cc1nc(N2CCOCC2)cc(N2CCN(c3ncc(-c4ccc(N5CCNCC5)nc4C)cn3)CC2)n1,SFRSYGYABRIVDU-UHFFFAOYSA-N
-rxn:4:222371:223506,Cc1ccn(-c2ccc(N3CCN(c4ncc(-c5cccc(S(=O)(=O)N6CCN(C(=O)OC(C)(C)C)CC6)c5)cn4)CC3)nn2)n1,YDMTZXBXBAFKOZ-UHFFFAOYSA-N
-rxn:4:222387:223814,Cn1cc(-c2cnc3nnn(CC4CN(c5ncc(-c6ccc(CN7CCC8(CC7)OCCO8)cc6F)cn5)CCO4)c3n2)cn1,PEYDQICIPXNKBB-UHFFFAOYSA-N
-rxn:4:222523:189464,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccccc2S(=O)(=O)N2CC(C(F)F)C2)c(C(F)(F)F)c1,JOZZHTFIGSYMRK-UHFFFAOYSA-N
-rxn:4:222523:194796,Cc1ccc(-n2c(-c3ccc(-c4ccc(S(=O)(=O)NC(C)(C)C)cc4C(F)(F)F)cc3)cc3c2CC(C)(C)CC3=O)c(C)c1,OBTXBFAAHDOSHV-UHFFFAOYSA-N
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-rxn:4:222543:185020,CC(C)N(C(=O)Cc1ccccc1-c1ccc(C2(NC(=O)OC(C)(C)C)CC2)cc1)C(C)C,VXBRJJPCNCYGDW-UHFFFAOYSA-N
-rxn:4:222581:185163,CC(C)NS(=O)(=O)c1ccc(-c2cc(C3CN(C(=O)OC(C)(C)C)C3)cc(C(F)(F)F)c2)c2ccccc12,FNCUBIKSMSCHNH-UHFFFAOYSA-N
-rxn:4:222581:186751,CC(C)NS(=O)(=O)c1ccc(-c2ccc(N(C(=O)C(F)(F)F)C3C=CS(=O)(=O)C3)cc2)c2ccccc12,PJUXWBQDSBVJMJ-UHFFFAOYSA-N
-rxn:4:222723:204010,CS(=O)(=O)N1CCCC(Cc2cccc(-c3cccc(NS(=O)(=O)N4CCOCC4)c3)n2)CC1,WEBAQLDIGXFDOA-UHFFFAOYSA-N
-rxn:4:222723:215908,CS(=O)(=O)N1CCN(c2cncc(-c3cccc(NS(=O)(=O)N4CCOCC4)c3)c2)CC1,YYWQTHWVDXAKIO-UHFFFAOYSA-N
-rxn:4:222751:185494,COC(=O)c1ccc2c(c1)c(-c1ccc(C)c(NC(=O)OC(C)(C)C)c1)cn2C(=O)OC(C)(C)C,MGVCTWJCDMGXHW-UHFFFAOYSA-N
-rxn:4:222782:185493,COC(=O)c1ccc2c(-c3cnc(NC(=O)OC(C)(C)C)c(C)c3)cn(C(=O)OC(C)(C)C)c2c1,MMDWJVSWPREUCS-UHFFFAOYSA-N
-rxn:4:222820:186906,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc(/C=N/S(=O)C(C)(C)C)cc2C(F)(F)F)cc1F,FPRUZWIYQIKHJG-UVHMKAGCSA-N
-rxn:4:223080:199810,CC(C)NS(=O)(=O)c1ccc(-c2ccccc2N(C)C(=O)C2CCN(C(=O)OC(C)(C)C)CC2)cc1,NXXLJJGXDFRKCU-UHFFFAOYSA-N
-rxn:4:223570:207849,Cc1ccccc1N1C(=O)N(c2cccc(-c3c(F)ncc4c3ccn4[Si](C(C)C)(C(C)C)C(C)C)c2)C2CS(=O)(=O)CC21,JSOACQCPBXMFJZ-UHFFFAOYSA-N
-rxn:4:223580:176120,COC(=O)c1ccc2c(c1)cc(-c1cc(C(=O)OC(C)(C)C)cc(-c3cc(Cl)ccc3F)c1)n2C(=O)OC(C)(C)C,YMRSOFYAUNCXDK-UHFFFAOYSA-N
-rxn:4:223641:174522,CCc1cc2c(cc1F)cc(-c1ccc(C#C[Si](C(C)C)(C(C)C)C(C)C)cc1)n2C(=O)OC(C)(C)C,HKCBUUMKHDSPAM-UHFFFAOYSA-N
-rxn:4:223641:187941,CCc1cc2c(cc1F)cc(-c1cccc3cc([Si](C)(C)C)n(C(=O)OC(C)(C)C)c13)n2C(=O)OC(C)(C)C,UUBKHVXLDKUWCT-UHFFFAOYSA-N
-rxn:4:223980:187971,CCN1CCN(S(=O)(=O)c2cccc(-c3ccc4ccn([Si](C(C)C)(C(C)C)C(C)C)c4c3)c2)CC1,ZUCUKKXCDZRLMS-UHFFFAOYSA-N
-rxn:5:177733:226663:225639,CC1CCN(c2ncccc2-c2cc(C(=O)OC(C)(C)C)cc(-c3ccc(N4CCSCC4)nc3)c2)CC1,MKYIKYKMXXDMCF-UHFFFAOYSA-N
-rxn:5:177736:225976:223061,CC(C)(C)OC(=O)c1ccc(-c2cc(C3CCNCC3)ncc2F)c(-c2ccnc(N3CCOCC3)c2F)c1,QFSLOOOSFSNWSN-UHFFFAOYSA-N
-rxn:5:177736:225980:226366,CC(C)(C)OC(=O)c1ccc(-c2ccnc(N3CCCCC3)c2)c(-c2cc(N3CCOCC3)ncc2F)c1,FVDVILKUXAWPQH-UHFFFAOYSA-N
-rxn:5:177737:223056:225834,CC(C)(C)OC(=O)c1cc(-c2cc(N3CCCCC3)ncc2F)ccc1-c1ccc(N2CCC(O)CC2)nc1,JJIPZZICKVTMOK-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:5:177739:226794:223065,CC(C)(C)OC(=O)c1cccc(-c2cnc(N3CCSCC3)nc2)c1-c1ccc(N2CCNCC2)cc1F,AJZBLIGJHOQOHE-UHFFFAOYSA-N
-rxn:5:177850:226826:223082,CCOc1ccc(-c2cc(C)cc(C(F)(F)F)c2F)c(C2OCCO2)c1-c1cc(C)c(S(=O)(=O)NC)c(C)c1,PSHDKRHCCHTVPJ-UHFFFAOYSA-N
-rxn:5:177891:227995:225597,COc1c(C)cc(C)cc1-c1ccccc1C(=O)SC1CS(=O)(=O)CC1c1ccc(OC2CCCCC2)nc1,ZLWRSHOKNJPYSV-UHFFFAOYSA-N
-rxn:5:178117:223062:227778,O=[N+]([O-])c1c(F)cc(F)cc1-c1ccc(-c2cnc(C3CCNCC3)cc2F)cc1OCC1CCOCC1,OQYLKSFPYCKHID-UHFFFAOYSA-N
-rxn:5:178117:226654:227710,CC1CCN(c2nc(-c3ccc(-c4ccc(OS(C)(=O)=O)cc4)c(OCC4CCOCC4)c3)cs2)CC1,WPINWNFIOCLGAI-UHFFFAOYSA-N
-rxn:5:178224:227449:227803,CN(C)S(=O)(=O)n1nccc1-c1cc(OCC2CCCCC2)cc(-c2ccc(C3CCOCC3)s2)c1,HSWAGRMFYOEOFZ-UHFFFAOYSA-N
-rxn:5:178295:223010:228153,COC(=O)C1(c2cc(-c3cc(OC)cc(OC)c3)ccc2-c2ccc(C3(O)CCOCC3)cc2)CCC(=O)CC1,KBLSCGVGMKVEDU-UHFFFAOYSA-N
-rxn:5:178295:223068:223062,COC(=O)C1(c2cc(-c3cnc(C4CCNCC4)cc3F)ccc2-c2ccc3[nH]c(C(F)(F)F)cc3c2)CCC(=O)CC1,AJZPJQXTPKFJDO-UHFFFAOYSA-N
-rxn:5:178295:223068:223139,COC(=O)C1(c2cc(-c3ccc(C4CCNCC4)nc3)ccc2-c2ccc3[nH]c(C(F)(F)F)cc3c2)CCC(=O)CC1,SGHUBUFCYWAYNC-UHFFFAOYSA-N
-rxn:5:178295:223068:227295,COC(=O)C1(c2cc(-c3ccnc(OC4CCC4)c3)ccc2-c2ccc3[nH]c(C(F)(F)F)cc3c2)CCC(=O)CC1,XFBBHMVOSVPXSZ-UHFFFAOYSA-N
-rxn:5:178295:223139:223068,COC(=O)C1(c2cc(-c3ccc4[nH]c(C(F)(F)F)cc4c3)ccc2-c2ccc(C3CCNCC3)nc2)CCC(=O)CC1,FABJRHRUYQAJMW-UHFFFAOYSA-N
-rxn:5:178295:225934:223246,COC(=O)C1(c2cc(-c3ccc(OC)c4[nH]ncc34)ccc2-c2cnc(C(F)(F)F)c(C3CC3)c2)CCC(=O)CC1,ANESSFWLNKCBKF-UHFFFAOYSA-N
-rxn:5:178295:225938:223246,COC(=O)C1(c2cc(-c3ccc(OC)c4[nH]ncc34)ccc2-c2cc(C(F)(F)F)ncc2C2CC2)CCC(=O)CC1,WHRBMMZYMIBRMQ-UHFFFAOYSA-N
-rxn:5:178295:225941:223244,COC(=O)C1(c2cc(-c3cc4cn[nH]c4cc3OC)ccc2-c2cnc(C3CC3)c(C(F)(F)F)c2)CCC(=O)CC1,PKVVZKQASIXIRR-UHFFFAOYSA-N
-rxn:5:178295:226662:223086,COC(=O)C1(c2cc(-c3cc4[nH]ncc4cc3C(F)(F)F)ccc2-c2ccc(N3CCN(C)CC3)s2)CCC(=O)CC1,XBOWMEZXZQDYOD-UHFFFAOYSA-N
-rxn:5:178295:226907:227833,CCc1cc(C)cc(C)c1-c1ccc(-c2cccc3c2CCC32CC2)c(C2(C(=O)OC)CCC(=O)CC2)c1,JBMMCMBAKNZFEZ-UHFFFAOYSA-N
-rxn:5:178295:227045:228179,COCc1cc(F)cc(-c2ccc(-c3cccc(SC(C)(C)C)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,WBGNUJFQMPDCLV-UHFFFAOYSA-N
-rxn:5:178295:227045:228566,COC(=O)C1(c2cc(-c3ccsc3CC(C)C)ccc2-c2cccc(SC(C)(C)C)c2)CCC(=O)CC1,RDSOAOJWLJRKBX-UHFFFAOYSA-N
-rxn:5:178295:227102:227051,CCC(=O)c1ccc(-c2ccc(-c3cc(C(C)(C)C)ccc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(C)c1,SSKVVMKISGGSFR-UHFFFAOYSA-N
-rxn:5:178295:227124:227041,CCOc1cc(C)c(-c2ccc(-c3ccc(C(C)(C)C)cc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc1C,DTLZRHRHYFTIBB-UHFFFAOYSA-N
-rxn:5:178295:227295:223068,COC(=O)C1(c2cc(-c3ccc4[nH]c(C(F)(F)F)cc4c3)ccc2-c2ccnc(OC3CCC3)c2)CCC(=O)CC1,ZZUSOEGTXMNWBY-UHFFFAOYSA-N
-rxn:5:178295:227295:223086,COC(=O)C1(c2cc(-c3cc4[nH]ncc4cc3C(F)(F)F)ccc2-c2ccnc(OC3CCC3)c2)CCC(=O)CC1,UCDTZLJPSVSKFN-UHFFFAOYSA-N
-rxn:5:178295:227355:228431,CCOc1ccc(C)c(F)c1-c1ccc(-c2cc(F)cc(F)c2SC)cc1C1(C(=O)OC)CCC(=O)CC1,HHLYTHDDDXBOSD-UHFFFAOYSA-N
-rxn:5:178295:227402:227940,CCc1cc(SC)cc(-c2ccc(-c3cc(F)nc(C(C)(C)C)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,SDSFWBFWGOCNNS-UHFFFAOYSA-N
-rxn:5:178295:227518:227940,CCc1cc(SC)cc(-c2ccc(-c3ccc(OC)c(C#N)c3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,ADTVAXHSKIPWBT-UHFFFAOYSA-N
-rxn:5:178295:227675:228178,COCc1ccc(F)c(-c2ccc(-c3cc(OC)c(C)c(F)c3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,QHZSRGWYJIBWOL-UHFFFAOYSA-N
-rxn:5:178295:227815:227409,CCC(C)c1ccccc1-c1ccc(-c2cc(C(C)(C)C)ncc2F)cc1C1(C(=O)OC)CCC(=O)CC1,IGBVJFAOKFUVRD-UHFFFAOYSA-N
-rxn:5:178295:227831:227309,CCc1c(C)cc(-c2ccc(-c3cc(F)nc(C(C)CC)c3)cc2C2(C(=O)OC)CCC(=O)CC2)cc1C,MUNPIBDRFODLTI-UHFFFAOYSA-N
-rxn:5:178295:228189:227358,CCOc1cc(C)cc(-c2ccc(-c3cc(SCC)ccc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1F,RYTFZGPLTNFAQZ-UHFFFAOYSA-N
-rxn:5:178295:228431:227561,COC(=O)C1(c2cc(-c3cc(OC)c(OC)cc3F)ccc2-c2cc(F)cc(F)c2SC)CCC(=O)CC1,XDVYMIDGUPUHIV-UHFFFAOYSA-N
-rxn:5:178313:226146:226190,CC(C)(C)[Si](C)(C)Oc1ccc(-c2ccc(SC3CCCC3)cc2)c(-c2ccc(C3CCCC3)cc2F)c1,LCFJHSGFZKCKHO-UHFFFAOYSA-N
-rxn:5:178368:225872:226060,Cc1cc(S(=O)(=O)Oc2cc(C)c(-c3cc(C4CC4)cc(C4CC4)c3)c(C)c2)c(C)cc1-c1cc(F)c(F)c(N2CCCC2)c1,JUVXEAWVGIDAGZ-UHFFFAOYSA-N
-rxn:5:178466:223061:223062,CC(C)OC(=O)c1sc2cc(-c3cc(C4CCNCC4)ncc3F)ccc2c1-c1cnc(C2CCNCC2)cc1F,QSMYBUBFTSOWRN-UHFFFAOYSA-N
-rxn:5:178466:225833:223061,CC(C)OC(=O)c1sc2cc(-c3ccnc(N4CCCCC4)c3F)ccc2c1-c1cc(C2CCNCC2)ncc1F,JZMNLQXADKEMLZ-UHFFFAOYSA-N
-rxn:5:178466:225833:223062,CC(C)OC(=O)c1sc2cc(-c3ccnc(N4CCCCC4)c3F)ccc2c1-c1cnc(C2CCNCC2)cc1F,VAELUVGDNVSKPO-UHFFFAOYSA-N
-rxn:5:178466:225980:225833,CC(C)OC(=O)c1sc2cc(-c3cc(N4CCOCC4)ncc3F)ccc2c1-c1ccnc(N2CCCCC2)c1F,KGKNJMPICICSMS-UHFFFAOYSA-N
-rxn:5:178466:225982:225976,CC(C)OC(=O)c1sc2cc(-c3cnc(N4CCOCC4)cc3F)ccc2c1-c1ccnc(N2CCOCC2)c1F,PJOPLIPPTFLNTL-UHFFFAOYSA-N
-rxn:5:178467:223061:227379,CCOC(=O)C1=Cc2cc(-c3cccnc3N3CCCC3)cc(-c3cc(C4CCNCC4)ncc3F)c2OC1,ZYMRKYLXAMCNKR-UHFFFAOYSA-N
-rxn:5:178467:223062:223061,CCOC(=O)C1=Cc2cc(-c3cc(C4CCNCC4)ncc3F)cc(-c3cnc(C4CCNCC4)cc3F)c2OC1,NLNFVFHWGGRTCQ-UHFFFAOYSA-N
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-rxn:5:178467:227020:223064,CCOC(=O)C1=Cc2cc(-c3ccc(C4CCNCC4)nc3F)cc(-c3cncc(C#CC4CC4)c3)c2OC1,RGPMSQTYXIBDCG-UHFFFAOYSA-N
-rxn:5:178568:225672:225671,Fc1cc(-c2cc(Cc3ccc(C4CC4)cc3)c(-c3cc(C4CCCCC4)ncc3F)c3c2CCO3)cc(C2CCCCC2)n1,ZZGUWJIITRLQQJ-UHFFFAOYSA-N
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-rxn:5:179840:226654:225986,CC1CCN(c2nc(-c3ccc(O[C@@H]4CCOC4)cc3-c3ccccc3N3CCCS3(=O)=O)cs2)CC1,YLIAYHJFVKWRPN-JOCHJYFZSA-N
-rxn:5:180020:226779:225679,O=C1CCCC1Oc1ccc(-c2ccc(N3CCCCC3)cc2F)cc1-c1ccc(C(=O)C(F)(F)F)cc1,PXBDEKVQIDZGRX-UHFFFAOYSA-N
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-rxn:5:180204:227803:226654,CC1CCN(c2nc(-c3ccc(OC4CCOCC4)c(-c4ccnn4S(=O)(=O)N(C)C)c3)cs2)CC1,UWLVLGILRPTILO-UHFFFAOYSA-N
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-rxn:5:180421:225832:223186,Cc1nn(C2CCCCO2)c(C)c1-c1cc(CC2CCCCC2)ccc1-c1cnn(C2CCCCO2)c1,CMQYYCXFDXMFGM-UHFFFAOYSA-N
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-rxn:5:180662:225639:227710,COC(=O)C1=Cc2cc(-c3ccc(OS(C)(=O)=O)cc3)cc(-c3cccnc3N3CCC(C)CC3)c2OC1,MTFDFDMHSLDJHT-UHFFFAOYSA-N
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-rxn:5:180662:227507:222998,COC(=O)C1=Cc2cc(-c3cc(F)cc(C4CCCNC4)c3)cc(-c3cccc(C=C[N+](=O)[O-])c3)c2OC1,WAYZQHNKSCZMOF-UHFFFAOYSA-N
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-rxn:5:181905:225472:225683,Cc1ccc(-c2ccc(C3CCCOC3)nc2C)c(C2OCCO2)c1-c1cccc(N2CCCCC2C)c1,LFVARFSPEFJYAY-UHFFFAOYSA-N
-rxn:5:181905:226424:225986,Cc1ccc(-c2ccccc2N2CCCS2(=O)=O)c(C2OCCO2)c1-c1cc(N2CCCC(C)C2)cs1,FEDDWQAZZAULQD-UHFFFAOYSA-N
-rxn:5:181905:226429:225986,Cc1ccc(-c2ccccc2N2CCCS2(=O)=O)c(C2OCCO2)c1-c1ccc(N2CCCC(C)C2)s1,CWGCFZXHMZDYAG-UHFFFAOYSA-N
-rxn:5:181907:222959:225683,Cc1cc(-c2ccc(C3CCNCC3)c(C)c2)c(-c2ccc(C3CCCOC3)nc2C)c(C2OCCO2)c1,QAHOYBGIUUXHOW-UHFFFAOYSA-N
-rxn:5:181907:226649:225832,Cc1cc(-c2cccnc2N2CCOCC2)c(-c2c(C)nn(C3CCCCO3)c2C)c(C2OCCO2)c1,CBCNRRGWEKUYLR-UHFFFAOYSA-N
-rxn:5:181908:223135:225832,Cc1cc(-c2cccnc2C2CCCNC2)c(-c2c(C)nn(C3CCCCO3)c2C)cc1C1OCCO1,NWHLPHHGMYAOAF-UHFFFAOYSA-N
-rxn:5:181908:223136:225832,Cc1cc(-c2ccncc2C2CCCNC2)c(-c2c(C)nn(C3CCCCO3)c2C)cc1C1OCCO1,PMCBMUBHEFBCGN-UHFFFAOYSA-N
-rxn:5:182009:225633:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(-c2ccc(N3CCCCCC3)nc2)c(C2CCOCC2)c1,OJXMHTUDEWROEF-UHFFFAOYSA-N
-rxn:5:182010:223142:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(C2CCOCC2)c(-c2ccc(C3CCCNC3)nc2)c1,CRSKFMFUJIQNMR-UHFFFAOYSA-N
-rxn:5:182010:226187:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(C2CCOCC2)c(-c2cccc(C3CCOCC3)c2)c1,CWTHXXREXORTGE-UHFFFAOYSA-N
-rxn:5:182011:225832:226187,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(C2CCOCC2)cc1-c1cccc(C2CCOCC2)c1,FZCLCJKWAYEQCE-UHFFFAOYSA-N
-rxn:5:182011:226686:225394,Cc1cnn(C2CCCCO2)c1-c1ccc(C2CCOCC2)cc1-c1cc(C2CCC2)cc(C2CC2)c1,JACPILTTYLZCFT-UHFFFAOYSA-N
-rxn:5:182012:226069:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2cccc(C3CCCCC3)c2)cc1C1CCCOC1,KCQVOIPDFYMJBP-UHFFFAOYSA-N
-rxn:5:183190:225980:225809,CC1(C)Cc2c(cc(-c3cc(F)ccc3OC3CCOC3)cc2-c2cc(N3CCOCC3)ncc2F)C1=O,SHKSIXMPHJATPQ-UHFFFAOYSA-N
-rxn:5:183217:225577:225436,CC1(C)CC(=O)c2cc(-c3ccc(CN4CCCCC4)cc3)cc(-c3ccc(N4CCCC4)cc3C#N)c2O1,TVVGLTMGHAFSBA-UHFFFAOYSA-N
-rxn:5:188787:223001:223135,O=[N+]([O-])c1cc(-c2cc(C3CCCNC3)ccc2F)c(-c2cccnc2C2CCCNC2)cc1OC1CC1,BNDQXQSZGZDXRH-UHFFFAOYSA-N
-rxn:5:188787:223006:223135,O=[N+]([O-])c1cc(-c2ccc(F)c(C3CCNCC3)c2)c(-c2cccnc2C2CCCNC2)cc1OC1CC1,MAYNZSFSIIZXCU-UHFFFAOYSA-N
-rxn:5:188787:223062:223065,O=[N+]([O-])c1cc(-c2cnc(C3CCNCC3)cc2F)c(-c2ccc(N3CCNCC3)cc2F)cc1OC1CC1,UQEZJAUSPOSSPZ-UHFFFAOYSA-N
-rxn:5:188787:223065:223062,O=[N+]([O-])c1cc(-c2ccc(N3CCNCC3)cc2F)c(-c2cnc(C3CCNCC3)cc2F)cc1OC1CC1,RTMBEYACDQMGCJ-UHFFFAOYSA-N
-rxn:5:188787:223065:223135,O=[N+]([O-])c1cc(-c2ccc(N3CCNCC3)cc2F)c(-c2cccnc2C2CCCNC2)cc1OC1CC1,MCHFSLGYDHMVFP-UHFFFAOYSA-N
-rxn:5:188787:223065:225976,O=[N+]([O-])c1cc(-c2ccc(N3CCNCC3)cc2F)c(-c2ccnc(N3CCOCC3)c2F)cc1OC1CC1,MYHZOTHHOSGYQN-UHFFFAOYSA-N
-rxn:5:188787:223135:223001,O=[N+]([O-])c1cc(-c2cccnc2C2CCCNC2)c(-c2cc(C3CCCNC3)ccc2F)cc1OC1CC1,ZIFVVKMYOLDDII-UHFFFAOYSA-N
-rxn:5:188787:223135:223006,O=[N+]([O-])c1cc(-c2cccnc2C2CCCNC2)c(-c2ccc(F)c(C3CCNCC3)c2)cc1OC1CC1,ZJLZQOCWBHBYAV-UHFFFAOYSA-N
-rxn:5:188787:223135:223065,O=[N+]([O-])c1cc(-c2cccnc2C2CCCNC2)c(-c2ccc(N3CCNCC3)cc2F)cc1OC1CC1,ZQHBSLBURLZMIR-UHFFFAOYSA-N
-rxn:5:188787:225834:226139,O=[N+]([O-])c1cc(-c2cc(N3CCCCC3)ncc2F)c(-c2cc(C3CC3)cnc2C2CC2)cc1OC1CC1,HXBURXYKFROKNX-UHFFFAOYSA-N
-rxn:5:188930:223135:223148,COC(=O)c1cc(S(N)(=O)=O)c(-c2cccnc2C2CCCNC2)cc1-c1ccccc1C1CNCCO1,POJAOVIUDKYKCJ-UHFFFAOYSA-N
-rxn:5:188930:225684:223135,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccc(C3CCOCC3)nc2C)cc1-c1cccnc1C1CCCNC1,BBQRNFOHCHVIHU-UHFFFAOYSA-N
-rxn:5:188930:226139:226139,COC(=O)c1cc(S(N)(=O)=O)c(-c2cc(C3CC3)cnc2C2CC2)cc1-c1cc(C2CC2)cnc1C1CC1,WSKDCGOBIUKNOT-UHFFFAOYSA-N
-rxn:5:188930:227377:225394,COC(=O)c1cc(S(N)(=O)=O)c(-c2cncnc2C2CCCC2)cc1-c1cc(C2CCC2)cc(C2CC2)c1,RDCKXUNXICKOHN-UHFFFAOYSA-N
-rxn:5:188930:227432:225794,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccc(C3COC3)nc2C)cc1-c1cnc(OC2CCCCC2)nc1,GMBZGPWXRDSCME-UHFFFAOYSA-N
-rxn:5:188932:226447:226183,COC(=O)c1cc(-c2ccnc(C3CCOCC3)c2)c(S(N)(=O)=O)c(-c2cnccc2C2CCCCC2)c1,JAWVVBBTQAGYEN-UHFFFAOYSA-N
-rxn:5:188932:226447:226432,COC(=O)c1cc(-c2ccnc(C3CCOCC3)c2)c(S(N)(=O)=O)c(-c2ccc(C3CCCC3)nc2F)c1,FEWHUNXSKPAMFG-UHFFFAOYSA-N
-rxn:5:188932:227381:225452,COC(=O)c1cc(-c2ccc(OC3C=CCCC3)cc2)c(S(N)(=O)=O)c(-c2cnc(C3CCCC3)nc2)c1,KAVZZGBOEAUYSN-UHFFFAOYSA-N
-rxn:5:189079:223062:225976,CCN(C)C(=O)c1ccc(-c2ccnc(N3CCOCC3)c2F)c(-c2cnc(C3CCNCC3)cc2F)c1,BZENFXRLSBCVED-UHFFFAOYSA-N
-rxn:5:189079:225976:223062,CCN(C)C(=O)c1ccc(-c2cnc(C3CCNCC3)cc2F)c(-c2ccnc(N3CCOCC3)c2F)c1,PQSDFLKDUYTKKR-UHFFFAOYSA-N
-rxn:5:189079:225976:225976,CCN(C)C(=O)c1ccc(-c2ccnc(N3CCOCC3)c2F)c(-c2ccnc(N3CCOCC3)c2F)c1,IYAKDGVHSAXSSJ-UHFFFAOYSA-N
-rxn:5:189079:225976:225978,CCN(C)C(=O)c1ccc(-c2ccc(N3CCOCC3)nc2F)c(-c2ccnc(N3CCOCC3)c2F)c1,HVCSRHXIUUQLGR-UHFFFAOYSA-N
-rxn:5:189079:225978:223062,CCN(C)C(=O)c1ccc(-c2cnc(C3CCNCC3)cc2F)c(-c2ccc(N3CCOCC3)nc2F)c1,ZDVPYTCMJAVRKR-UHFFFAOYSA-N
-rxn:5:189079:225978:225976,CCN(C)C(=O)c1ccc(-c2ccnc(N3CCOCC3)c2F)c(-c2ccc(N3CCOCC3)nc2F)c1,DFWGUAOMYBTDKC-UHFFFAOYSA-N
-rxn:5:189079:226427:223062,CCN(C)C(=O)c1ccc(-c2cnc(C3CCNCC3)cc2F)c(-c2cc(N3CCC(C)CC3)cs2)c1,FTFZMPWXMIOGAO-UHFFFAOYSA-N
-rxn:5:189079:226427:223064,CCN(C)C(=O)c1ccc(-c2ccc(C3CCNCC3)nc2F)c(-c2cc(N3CCC(C)CC3)cs2)c1,VYLYLJCDAXUAEU-UHFFFAOYSA-N
-rxn:5:189079:226427:225980,CCN(C)C(=O)c1ccc(-c2cc(N3CCOCC3)ncc2F)c(-c2cc(N3CCC(C)CC3)cs2)c1,XQTGVKIEAQPSIG-UHFFFAOYSA-N
-rxn:5:189079:226654:223062,CCN(C)C(=O)c1ccc(-c2cnc(C3CCNCC3)cc2F)c(-c2csc(N3CCC(C)CC3)n2)c1,NRAPQLUXBXJLHE-UHFFFAOYSA-N
-rxn:5:189079:226654:225978,CCN(C)C(=O)c1ccc(-c2ccc(N3CCOCC3)nc2F)c(-c2csc(N3CCC(C)CC3)n2)c1,SWBNWEZJBOYVRU-UHFFFAOYSA-N
-rxn:5:189079:226654:225980,CCN(C)C(=O)c1ccc(-c2cc(N3CCOCC3)ncc2F)c(-c2csc(N3CCC(C)CC3)n2)c1,SQMAATMGVFGIEZ-UHFFFAOYSA-N
-rxn:5:189079:226661:223062,CCN(C)C(=O)c1ccc(-c2cnc(C3CCNCC3)cc2F)c(-c2cc(N3CCN(C)CC3)cs2)c1,UXSFAQBMLJSJOB-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:5:189079:226662:225978,CCN(C)C(=O)c1ccc(-c2ccc(N3CCOCC3)nc2F)c(-c2ccc(N3CCN(C)CC3)s2)c1,NFKYLUHNRPVACI-UHFFFAOYSA-N
-rxn:5:189079:226662:225980,CCN(C)C(=O)c1ccc(-c2cc(N3CCOCC3)ncc2F)c(-c2ccc(N3CCN(C)CC3)s2)c1,WNHDIJNNLLXSOP-UHFFFAOYSA-N
-rxn:5:189080:225976:225976,CN(C)C(=O)Cc1ccc(-c2ccnc(N3CCOCC3)c2F)cc1-c1ccnc(N2CCOCC2)c1F,JHBUZQDIJMTJLN-UHFFFAOYSA-N
-rxn:5:189080:225976:225978,CN(C)C(=O)Cc1ccc(-c2ccnc(N3CCOCC3)c2F)cc1-c1ccc(N2CCOCC2)nc1F,PUWYJTPYHQZGDV-UHFFFAOYSA-N
-rxn:5:189080:225976:225980,CN(C)C(=O)Cc1ccc(-c2ccnc(N3CCOCC3)c2F)cc1-c1cc(N2CCOCC2)ncc1F,YPWFQGBKSKFGKU-UHFFFAOYSA-N
-rxn:5:189080:225978:225976,CN(C)C(=O)Cc1ccc(-c2ccc(N3CCOCC3)nc2F)cc1-c1ccnc(N2CCOCC2)c1F,GPBJPJDTADSYRN-UHFFFAOYSA-N
-rxn:5:189080:225978:225978,CN(C)C(=O)Cc1ccc(-c2ccc(N3CCOCC3)nc2F)cc1-c1ccc(N2CCOCC2)nc1F,GLBBVBGYBOCNHX-UHFFFAOYSA-N
-rxn:5:189080:225978:225980,CN(C)C(=O)Cc1ccc(-c2ccc(N3CCOCC3)nc2F)cc1-c1cc(N2CCOCC2)ncc1F,JQAISFITPVEWAH-UHFFFAOYSA-N
-rxn:5:189080:225980:225976,CN(C)C(=O)Cc1ccc(-c2cc(N3CCOCC3)ncc2F)cc1-c1ccnc(N2CCOCC2)c1F,ZIZCFCPHWSJNLE-UHFFFAOYSA-N
-rxn:5:189080:225980:225978,CN(C)C(=O)Cc1ccc(-c2cc(N3CCOCC3)ncc2F)cc1-c1ccc(N2CCOCC2)nc1F,AQACFBDLUIGKBR-UHFFFAOYSA-N
-rxn:5:189080:225980:225980,CN(C)C(=O)Cc1ccc(-c2cc(N3CCOCC3)ncc2F)cc1-c1cc(N2CCOCC2)ncc1F,ITCFHSUDSONLRZ-UHFFFAOYSA-N
-rxn:5:189081:225976:225976,CN(C)C(=O)Cc1ccc(-c2ccnc(N3CCOCC3)c2F)cc1-c1ccnc(N2CCOCC2)c1F,JHBUZQDIJMTJLN-UHFFFAOYSA-N
-rxn:5:189082:225881:225976,CN(C)C(=O)Cc1ccc(-c2ccnc(N3CCOCC3)c2F)c(-c2ccc(C3CCOCC3)nc2F)c1,YJNRFSBKJKFEKO-UHFFFAOYSA-N
-rxn:5:189082:225881:225978,CN(C)C(=O)Cc1ccc(-c2ccc(N3CCOCC3)nc2F)c(-c2ccc(C3CCOCC3)nc2F)c1,PBIHEXXEHPPUCC-UHFFFAOYSA-N
-rxn:5:189082:225881:225980,CN(C)C(=O)Cc1ccc(-c2cc(N3CCOCC3)ncc2F)c(-c2ccc(C3CCOCC3)nc2F)c1,MTYODXDUXGQQHE-UHFFFAOYSA-N
-rxn:5:189082:225881:225982,CN(C)C(=O)Cc1ccc(-c2cnc(N3CCOCC3)cc2F)c(-c2ccc(C3CCOCC3)nc2F)c1,ILDOGVHSDRECDT-UHFFFAOYSA-N
-rxn:5:189082:225976:225880,CN(C)C(=O)Cc1ccc(-c2cc(C3CCOCC3)ncc2F)c(-c2ccnc(N3CCOCC3)c2F)c1,HDJDUTAAFHAXLN-UHFFFAOYSA-N
-rxn:5:189082:225976:225881,CN(C)C(=O)Cc1ccc(-c2ccc(C3CCOCC3)nc2F)c(-c2ccnc(N3CCOCC3)c2F)c1,JUUIVMDKHZYMQE-UHFFFAOYSA-N
-rxn:5:189082:225976:225976,CN(C)C(=O)Cc1ccc(-c2ccnc(N3CCOCC3)c2F)c(-c2ccnc(N3CCOCC3)c2F)c1,ZPSVMHPTMFVEQL-UHFFFAOYSA-N
-rxn:5:189082:225976:225978,CN(C)C(=O)Cc1ccc(-c2ccc(N3CCOCC3)nc2F)c(-c2ccnc(N3CCOCC3)c2F)c1,WQUNAHYQHUUYLY-UHFFFAOYSA-N
-rxn:5:189082:225976:225982,CN(C)C(=O)Cc1ccc(-c2cnc(N3CCOCC3)cc2F)c(-c2ccnc(N3CCOCC3)c2F)c1,VDBOCIFJLMZLEI-UHFFFAOYSA-N
-rxn:5:189082:225978:225881,CN(C)C(=O)Cc1ccc(-c2ccc(C3CCOCC3)nc2F)c(-c2ccc(N3CCOCC3)nc2F)c1,HEBCEYGJHOJFHN-UHFFFAOYSA-N
-rxn:5:189082:225978:225976,CN(C)C(=O)Cc1ccc(-c2ccnc(N3CCOCC3)c2F)c(-c2ccc(N3CCOCC3)nc2F)c1,FKGPCGPCZODIAI-UHFFFAOYSA-N
-rxn:5:189082:225978:225978,CN(C)C(=O)Cc1ccc(-c2ccc(N3CCOCC3)nc2F)c(-c2ccc(N3CCOCC3)nc2F)c1,DICRKQVGJLYTDK-UHFFFAOYSA-N
-rxn:5:189082:225978:225982,CN(C)C(=O)Cc1ccc(-c2cnc(N3CCOCC3)cc2F)c(-c2ccc(N3CCOCC3)nc2F)c1,OVGBWPJNPZLNKM-UHFFFAOYSA-N
-rxn:5:189082:225982:225881,CN(C)C(=O)Cc1ccc(-c2ccc(C3CCOCC3)nc2F)c(-c2cnc(N3CCOCC3)cc2F)c1,DBPGTFSCOJGREH-UHFFFAOYSA-N
-rxn:5:189082:225982:225976,CN(C)C(=O)Cc1ccc(-c2ccnc(N3CCOCC3)c2F)c(-c2cnc(N3CCOCC3)cc2F)c1,KRBLHBQRXPJTHJ-UHFFFAOYSA-N
-rxn:5:189082:225982:225978,CN(C)C(=O)Cc1ccc(-c2ccc(N3CCOCC3)nc2F)c(-c2cnc(N3CCOCC3)cc2F)c1,LBUGQNJBYGYKIH-UHFFFAOYSA-N
-rxn:5:189082:225982:225982,CN(C)C(=O)Cc1ccc(-c2cnc(N3CCOCC3)cc2F)c(-c2cnc(N3CCOCC3)cc2F)c1,FUCNWNXIGJSZMD-UHFFFAOYSA-N
-rxn:5:189207:226366:228877,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccnc(N3CCCCC3)c2)ccc1-c1ccnn1C1CC1F,FLTKVUATMIWWBH-UHFFFAOYSA-N
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-rxn:5:189209:226139:227520,CC(C)Oc1cc(F)c(-c2cc(C(=O)ON3C(=O)CCC3=O)cc(-c3cc(C4CC4)cnc3C3CC3)c2)cn1,BLQUZCDTMHYMOD-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:5:189323:225978:223294,CC(C)(C)OC(=O)c1cc(-c2csc(N3CCNCC3)n2)ncc1-c1ccc(N2CCOCC2)nc1F,INZZQQVDKKDPPT-UHFFFAOYSA-N
-rxn:5:189662:226662:227710,CN1CCN(c2ccc(-c3cnc(-c4ccc(OS(C)(=O)=O)cc4)c(OCC4CCOCC4)c3)s2)CC1,AISHCQYYVIVZMT-UHFFFAOYSA-N
-rxn:5:189665:227301:226661,CN(C)Cc1cc(F)ccc1-c1cnc(OCC2CCOCC2)c(-c2cc(N3CCN(C)CC3)cs2)c1,NBUFZUNGECMUCG-UHFFFAOYSA-N
-rxn:5:189665:227710:226654,CC1CCN(c2nc(-c3cc(-c4ccc(OS(C)(=O)=O)cc4)cnc3OCC3CCOCC3)cs2)CC1,HCYFPZMMZXALKM-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:5:189676:227279:226060,CC(C)n1nc(C2CC2)cc1-c1cc(CC(=O)N2CCCC2)ccc1-c1cc(C2CC2)cc(C2CC2)c1,AROJUISWYBTVPK-UHFFFAOYSA-N
-rxn:5:189718:223068:223135,O=[N+]([O-])c1cc(-c2cccnc2C2CCCNC2)c(-c2ccc3[nH]c(C(F)(F)F)cc3c2)cc1OC1CCOCC1,PYGGKTNHIGXSCR-UHFFFAOYSA-N
-rxn:5:189718:223068:223142,O=[N+]([O-])c1cc(-c2ccc(C3CCCNC3)nc2)c(-c2ccc3[nH]c(C(F)(F)F)cc3c2)cc1OC1CCOCC1,PFCXTEQLVUBTKU-UHFFFAOYSA-N
-rxn:5:189718:223086:227449,O=[N+]([O-])c1cc(-c2ccc(C3CCOCC3)s2)c(-c2cc3[nH]ncc3cc2C(F)(F)F)cc1OC1CCOCC1,WHYQQDYBXYQJLI-UHFFFAOYSA-N
-rxn:5:189718:223088:227449,O=[N+]([O-])c1cc(-c2ccc(C3CCOCC3)s2)c(-c2ccnc3[nH]c(C(F)(F)F)cc23)cc1OC1CCOCC1,QTPSVFZTFBFLQY-UHFFFAOYSA-N
-rxn:5:189718:223135:223061,O=[N+]([O-])c1cc(-c2cc(C3CCNCC3)ncc2F)c(-c2cccnc2C2CCCNC2)cc1OC1CCOCC1,KTYPQHZGBMIEQE-UHFFFAOYSA-N
-rxn:5:189718:223135:223068,O=[N+]([O-])c1cc(-c2ccc3[nH]c(C(F)(F)F)cc3c2)c(-c2cccnc2C2CCCNC2)cc1OC1CCOCC1,FLLGDSMYSJGFHF-UHFFFAOYSA-N
-rxn:5:189718:223138:223068,O=[N+]([O-])c1cc(-c2ccc3[nH]c(C(F)(F)F)cc3c2)c(-c2ccnc(C3CCNCC3)c2)cc1OC1CCOCC1,BSXDBYYSDZNVPG-UHFFFAOYSA-N
-rxn:5:189718:223142:223068,O=[N+]([O-])c1cc(-c2ccc3[nH]c(C(F)(F)F)cc3c2)c(-c2ccc(C3CCCNC3)nc2)cc1OC1CCOCC1,KEKBILXZOAASLR-UHFFFAOYSA-N
-rxn:5:189718:223294:228495,O=[N+]([O-])c1cc(-c2ccn(CC(F)(F)F)n2)c(-c2csc(N3CCNCC3)n2)cc1OC1CCOCC1,OCNAGBQLCBAMOX-UHFFFAOYSA-N
-rxn:5:189718:223294:228497,O=[N+]([O-])c1cc(-c2ccnn2CC(F)(F)F)c(-c2csc(N3CCNCC3)n2)cc1OC1CCOCC1,IAHXTYJCOOGXHE-UHFFFAOYSA-N
-rxn:5:189718:225814:223140,O=[N+]([O-])c1cc(-c2ccnc(C3CCCNC3)c2)c(-c2cccc(C3(C(F)(F)F)CC3)c2)cc1OC1CCOCC1,BRBRYHOCUWSUPU-UHFFFAOYSA-N
-rxn:5:189718:225934:223135,O=[N+]([O-])c1cc(-c2cccnc2C2CCCNC2)c(-c2cnc(C(F)(F)F)c(C3CC3)c2)cc1OC1CCOCC1,YLILQAXIMHKXRP-UHFFFAOYSA-N
-rxn:5:189718:226663:223438,O=[N+]([O-])c1cc(-c2cn[nH]c2C(F)(F)F)c(-c2ccc(N3CCSCC3)nc2)cc1OC1CCOCC1,WCKPOHGOIRGEIP-UHFFFAOYSA-N
-rxn:5:189718:227119:223438,O=[N+]([O-])c1cc(-c2cn[nH]c2C(F)(F)F)c(-c2cc(C3CCCCC3)cs2)cc1OC1CCOCC1,NHQSNLSMCZVFMP-UHFFFAOYSA-N
-rxn:5:189718:227449:223086,O=[N+]([O-])c1cc(-c2cc3[nH]ncc3cc2C(F)(F)F)c(-c2ccc(C3CCOCC3)s2)cc1OC1CCOCC1,PYXSXZHXSOMLOB-UHFFFAOYSA-N
-rxn:5:189718:227449:223090,O=[N+]([O-])c1cc(-c2ccc3[nH]nc(C(F)(F)F)c3c2)c(-c2ccc(C3CCOCC3)s2)cc1OC1CCOCC1,DJOMNWBLVCRLEV-UHFFFAOYSA-N
-rxn:5:189718:227657:223086,O=[N+]([O-])c1cc(-c2cc3[nH]ncc3cc2C(F)(F)F)c(-c2ccc(N3CCOCC3)s2)cc1OC1CCOCC1,IIAFUPTXFYJYPO-UHFFFAOYSA-N
-rxn:5:189718:227657:223438,O=[N+]([O-])c1cc(-c2cn[nH]c2C(F)(F)F)c(-c2ccc(N3CCOCC3)s2)cc1OC1CCOCC1,ILOKACZSHCHOFY-UHFFFAOYSA-N
-rxn:5:189718:227657:225934,O=[N+]([O-])c1cc(-c2cnc(C(F)(F)F)c(C3CC3)c2)c(-c2ccc(N3CCOCC3)s2)cc1OC1CCOCC1,WLDJBPMEVQVHMV-UHFFFAOYSA-N
-rxn:5:189718:228495:223294,O=[N+]([O-])c1cc(-c2csc(N3CCNCC3)n2)c(-c2ccn(CC(F)(F)F)n2)cc1OC1CCOCC1,HPWFGHWJEGPAEH-UHFFFAOYSA-N
-rxn:5:189827:225507:226901,COC(=O)C1CCc2cc(-c3cc(CC(=O)N4CCOCC4)ccc3-c3cccc(S(F)(F)(F)(F)F)c3)ccc21,KCTCRZZZQRXLMG-UHFFFAOYSA-N
-rxn:5:189909:223064:227020,Fc1nc(C2CCNCC2)ccc1-c1ccc(-c2cncc(C#CC3CC3)c2)cc1CCN1CCOCC1,KGRFWESGCACRIW-UHFFFAOYSA-N
-rxn:5:189910:225982:225982,Fc1cc(N2CCOCC2)ncc1-c1ccc(-c2cnc(N3CCOCC3)cc2F)c(CCN2CCOCC2)c1,HZDCWDTWGTYOTE-UHFFFAOYSA-N
-rxn:5:189910:226794:223065,Fc1cc(N2CCNCC2)ccc1-c1ccc(-c2cnc(N3CCSCC3)nc2)cc1CCN1CCOCC1,DCDAHWBCVMXQGO-UHFFFAOYSA-N
-rxn:5:189952:223006:227684,COc1c(-c2ccc(F)c(C3CCNCC3)c2)cc(C(=O)N2CCOCC2)cc1-c1cnn(CC2OCCO2)c1,ATOVAXNFZKJEKK-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:5:189952:226664:225834,COc1c(-c2cc(N3CCCCC3)ncc2F)cc(C(=O)N2CCOCC2)cc1-c1cc(N2CCCC2)ncc1F,GHGJMUXTVSRGTJ-UHFFFAOYSA-N
-rxn:5:189952:227724:225834,COc1c(-c2cc(OC(F)F)ccc2F)cc(C(=O)N2CCOCC2)cc1-c1cc(N2CCCCC2)ncc1F,WZTZXPKNMOBXHH-UHFFFAOYSA-N
-rxn:5:190128:227807:225926,COC1CCN(C(=O)c2ccc(-c3cccc4c3CCCC4)c(-c3ccc(S(=O)(=O)N4CCC4)cc3)c2)CC1,MDSOXFARJJDNJF-UHFFFAOYSA-N
-rxn:5:190131:225986:228625,CCc1ccc(-c2cc(C(=O)N3CCCCC3)cc(-c3ccccc3N3CCCS3(=O)=O)c2OC)c(F)c1,NPOUHIJCUGWFBW-UHFFFAOYSA-N
-rxn:5:190195:223061:225976,CN(Cc1ccc(-c2cc(C3CCNCC3)ncc2F)c(-c2ccnc(N3CCOCC3)c2F)c1)C1CCOCC1,XXAQQGSRYSODSA-UHFFFAOYSA-N
-rxn:5:190195:223063:228366,CN(C)c1ncc(-c2cc(CN(C)C3CCOCC3)ccc2-c2cc(F)nc(C3CCNCC3)c2)cc1F,SMVBALPOJZSZLR-UHFFFAOYSA-N
-rxn:5:190195:228366:223062,CN(C)c1ncc(-c2ccc(CN(C)C3CCOCC3)cc2-c2cnc(C3CCNCC3)cc2F)cc1F,YARSJHIUKMTXOM-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:5:190196:223063:228366,CN(C)c1ncc(-c2cc(-c3cc(F)nc(C4CCNCC4)c3)ccc2CN(C)C2CCOCC2)cc1F,RJMGIDMSRRSUIM-UHFFFAOYSA-N
-rxn:5:190196:225833:228363,CN(C)c1cc(F)c(-c2cc(-c3ccnc(N4CCCCC4)c3F)ccc2CN(C)C2CCOCC2)cn1,GUPTUFYUNCPXJV-UHFFFAOYSA-N
-rxn:5:190196:227298:225607,CC(c1ccc(-c2cc(-c3cc(F)ccc3CN(C)C)ccc2CN(C)C2CCOCC2)s1)N1CCCCC1,RUEXYROEFVWVGE-UHFFFAOYSA-N
-rxn:5:190197:223062:228363,CN(C)c1cc(F)c(-c2ccc(CN(C)C3CCOCC3)c(-c3cnc(C4CCNCC4)cc3F)c2)cn1,BGTVKAXOHKUSTO-UHFFFAOYSA-N
-rxn:5:190197:226159:225925,Cc1ccc(S(=O)(=O)N(C)C)cc1-c1ccc(CN(C)C2CCOCC2)c(-c2cccc(N3CCCCC3)c2)c1,YRSOPONSVCSVLI-UHFFFAOYSA-N
-rxn:5:190197:226438:226154,COc1cc(C(C)(C)C)ccc1-c1ccc(CN(C)C2CCOCC2)c(-c2cnc(C3CCCC3)cc2F)c1,XJNDRLXZIAEMHW-UHFFFAOYSA-N
-rxn:5:190198:223062:228363,CN(C)c1cc(F)c(-c2cccc(-c3cnc(C4CCNCC4)cc3F)c2CN(C)C2CCOCC2)cn1,PMMIKLIUNJMFBB-UHFFFAOYSA-N
-rxn:5:190198:225591:228162,CCOc1c(F)cccc1-c1cccc(-c2cc(CN3CCCC3)ccc2F)c1CN(C)C1CCOCC1,YIPDSFXRZLCDAH-UHFFFAOYSA-N
-rxn:5:190199:223062:228202,CN(C)c1cc(-c2ccc(-c3cnc(C4CCNCC4)cc3F)c(CN(C)C3CCOCC3)c2)ccc1F,RCMVVSUSEKSIBU-UHFFFAOYSA-N
-rxn:5:190199:223063:228366,CN(C)c1ncc(-c2ccc(-c3cc(F)nc(C4CCNCC4)c3)c(CN(C)C3CCOCC3)c2)cc1F,OWSYJDWKXJCCCS-UHFFFAOYSA-N
-rxn:5:190199:223063:228693,CCN(C)c1ccc(-c2ccc(-c3cc(F)nc(C4CCNCC4)c3)c(CN(C)C3CCOCC3)c2)s1,NAHSUWBIYXYAHV-UHFFFAOYSA-N
-rxn:5:190199:225834:228693,CCN(C)c1ccc(-c2ccc(-c3cc(N4CCCCC4)ncc3F)c(CN(C)C3CCOCC3)c2)s1,DQBLKMZTMHEYHK-UHFFFAOYSA-N
-rxn:5:190199:225849:228693,CCN(C)c1ccc(-c2ccc(-c3cnc(N4CCCCC4)cc3F)c(CN(C)C3CCOCC3)c2)s1,IVROUGKGJZSOSV-UHFFFAOYSA-N
-rxn:5:190199:225976:228366,CN(C)c1ncc(-c2ccc(-c3ccnc(N4CCOCC4)c3F)c(CN(C)C3CCOCC3)c2)cc1F,ZCGGQLFXEJHDIZ-UHFFFAOYSA-N
-rxn:5:190199:226579:227626,CN(C)C(=O)c1cc(F)cc(-c2ccc(-c3cnc(C4CCOC4)nc3)cc2CN(C)C2CCOCC2)c1,VGDZDCOPHQSXRA-UHFFFAOYSA-N
-rxn:5:190199:226588:225655,CC1CCN(c2cncc(-c3ccc(-c4cc(OC5CCC5)ncc4F)c(CN(C)C4CCOCC4)c3)c2)CC1,HVMROKZDAZJSMC-UHFFFAOYSA-N
-rxn:5:190199:228363:223061,CN(C)c1cc(F)c(-c2ccc(-c3cc(C4CCNCC4)ncc3F)cc2CN(C)C2CCOCC2)cn1,CYRAXTQMIORHQW-UHFFFAOYSA-N
-rxn:5:190200:222996:228363,CN(C)c1cc(F)c(-c2cc(CN(C)C3CCOCC3)cc(-c3ccc(F)cc3C3CCCNC3)c2)cn1,OTYHTJBIZPRKMK-UHFFFAOYSA-N
-rxn:5:190200:223062:228366,CN(C)c1ncc(-c2cc(CN(C)C3CCOCC3)cc(-c3cnc(C4CCNCC4)cc3F)c2)cc1F,KKJCJFKNQFKPPF-UHFFFAOYSA-N
-rxn:5:190200:223063:228366,CN(C)c1ncc(-c2cc(CN(C)C3CCOCC3)cc(-c3cc(F)nc(C4CCNCC4)c3)c2)cc1F,ONAUKPNMSDEKIR-UHFFFAOYSA-N
-rxn:5:190200:223064:228366,CN(C)c1ncc(-c2cc(CN(C)C3CCOCC3)cc(-c3ccc(C4CCNCC4)nc3F)c2)cc1F,OTWYWQFMWMORLG-UHFFFAOYSA-N
-rxn:5:190200:226425:227298,CC1CCCCN1c1ccc(-c2cc(CN(C)C3CCOCC3)cc(-c3cc(F)ccc3CN(C)C)c2)s1,LJDZSTJYTBUIJY-UHFFFAOYSA-N
-rxn:5:190200:226737:226338,CN(Cc1cc(-c2ccnc(OC3CCCC3)c2)cc(-c2ccc(C(F)(F)F)c(C#N)c2)c1)C1CCOCC1,IFIXDMRSAPSHQV-UHFFFAOYSA-N
-rxn:5:190200:227292:223064,CN(C)Cc1cc(-c2cc(CN(C)C3CCOCC3)cc(-c3ccc(C4CCNCC4)nc3F)c2)ccc1F,LBEIEYIFKDAFQQ-UHFFFAOYSA-N
-rxn:5:190201:225657:227808,Cc1cc(-c2ccc(-c3ccc4c(c3)CCCC4)c(CCN3CCOC(C)C3)c2)ccc1N1CCOCC1,BDIXEJZJLNDZSL-UHFFFAOYSA-N
-rxn:5:190231:223064:225834,COc1c(-c2cc(N3CCCCC3)ncc2F)cc(C(=O)N2CCOC(C)C2)cc1-c1ccc(C2CCNCC2)nc1F,YAJXLVCJCXNLGP-UHFFFAOYSA-N
-rxn:5:190265:225814:225886,CC1CCCN(C(=O)Cc2ccc(-c3ccc4c(ccn4S(C)(=O)=O)c3)c(-c3cccc(C4(C(F)(F)F)CC4)c3)c2)C1,QEDXUBQFEYFSAT-UHFFFAOYSA-N
-rxn:5:190265:226044:227920,CCC(=O)c1ccc(-c2ccc(CC(=O)N3CCCC(C)C3)cc2-c2c(F)c(F)cc([N+](=O)[O-])c2OC)cc1,JYLOTXRPOMTHES-UHFFFAOYSA-N
-rxn:5:190265:226190:225886,CC1CCCN(C(=O)Cc2ccc(-c3ccc4c(ccn4S(C)(=O)=O)c3)c(-c3ccc(C4CCCC4)cc3F)c2)C1,XRTQRHIPCYVPLP-UHFFFAOYSA-N
-rxn:5:190299:227304:227044,COc1ccc(-c2cnc(OC(C)C)cc2C)cc1C=C1SC(=O)N(c2ccc(-c3ccc(C(=O)C4CC4)cc3)cc2)C1=O,VKZIQWJOXSWBRQ-UHFFFAOYSA-N
-rxn:5:190308:223294:227301,CC1CCCN(CCc2cc(-c3csc(N4CCNCC4)n3)ccc2-c2ccc(F)cc2CN(C)C)C1,RTVQZXLJVMKYTB-UHFFFAOYSA-N
-rxn:5:190336:226876:228066,COc1c(-c2ccc3c(c2)OCCO3)cc(C(=O)N2CCCC(C)C2)cc1-c1ccc(F)cc1OC(F)(F)F,NROZGBMMIKLEKE-UHFFFAOYSA-N
-rxn:5:190336:228997:225594,CCc1ccc(-c2cc(C(=O)N3CCCC(C)C3)cc(-c3ccc(F)cc3CN3CCCC3)c2OC)cn1,VEQGHAOVZBECMX-UHFFFAOYSA-N
-rxn:5:190484:226137:228928,CC(C)c1ncc(C2CC2)cc1-c1cccc(C(=O)N2CCC(c3ccccc3-c3cccnc3C(F)F)S(=O)(=O)CC2)c1,IODBRVAELJIYSF-UHFFFAOYSA-N
-rxn:5:190484:226447:223311,O=C(c1cccc(-c2ccnc(C3CCOCC3)c2)c1)N1CCC(c2ccccc2-c2cccc(C3CNC3)c2)S(=O)(=O)CC1,JLJOEZAWHLJDQV-UHFFFAOYSA-N
-rxn:5:190484:226643:226465,Cn1c(=O)n(C)c2cc(-c3ccccc3C3CCN(C(=O)c4cccc(-c5ccc(N6CCOCC6)nc5)c4)CCS3(=O)=O)ccc21,DKCMPLVQBGMVND-UHFFFAOYSA-N
-rxn:5:190484:227748:225634,Cc1cc(-c2ccccc2C2CCN(C(=O)c3cccc(-c4ccc(F)c(C(F)(F)F)c4)c3)CCS2(=O)=O)cnc1N1CCCCC1,XWFYGEHNLUABBW-UHFFFAOYSA-N
-rxn:5:190484:227937:227409,CC(C)Sc1cccc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4cc(C(C)(C)C)ncc4F)S(=O)(=O)CC3)c2)c1,OXDRZSJVTUSYPF-UHFFFAOYSA-N
-rxn:5:190680:225623:226349,CC(=O)Oc1cn(C(C)=O)c2ccc(-c3cccc(OC4CCOCC4)c3)c(-c3cc(F)cc(OC(C)(C)C)c3)c12,ADSVUFSTDRPHQG-UHFFFAOYSA-N
-rxn:5:190680:225638:227404,CC(=O)Oc1cn(C(C)=O)c2ccc(-c3ccc(N4CCC(C)CC4)nc3)c(-c3cc(N4CCCCC4)cs3)c12,SLDOAHLLVGYAPX-UHFFFAOYSA-N
-rxn:5:190740:225655:225655,CCOC(=O)c1cnc2c(C)cc(-c3cncc(N4CCC(C)CC4)c3)cc2c1-c1cncc(N2CCC(C)CC2)c1,WGSVEJAALAPDKY-UHFFFAOYSA-N
-rxn:5:190740:225982:225833,CCOC(=O)c1cnc2c(C)cc(-c3cnc(N4CCOCC4)cc3F)cc2c1-c1ccnc(N2CCCCC2)c1F,RCERNLIDRZVFKQ-UHFFFAOYSA-N
-rxn:5:190740:225982:225976,CCOC(=O)c1cnc2c(C)cc(-c3cnc(N4CCOCC4)cc3F)cc2c1-c1ccnc(N2CCOCC2)c1F,WDIVRXPFFJXTSX-UHFFFAOYSA-N
-rxn:5:190741:225834:225849,CCOC(=O)c1cnc2c(-c3cc(N4CCCCC4)ncc3F)cc(C)cc2c1-c1cnc(N2CCCCC2)cc1F,ONFAVJPTMMMSIC-UHFFFAOYSA-N
-rxn:5:190741:225849:225784,CCOC(=O)c1cnc2c(-c3cnc(N4CCCCC4)cc3F)cc(C)cc2c1-c1ccc(CN2CCOCC2)nc1,DFAAVTXLYPPCEH-UHFFFAOYSA-N
-rxn:5:190741:225980:225633,CCOC(=O)c1cnc2c(-c3cc(N4CCOCC4)ncc3F)cc(C)cc2c1-c1ccc(N2CCCCCC2)nc1,IZWZGGCHZZPRPG-UHFFFAOYSA-N
-rxn:5:190742:223061:225590,CCOC(=O)c1cnc2c(C)ccc(-c3cc(C4CCNCC4)ncc3F)c2c1-c1ccc(CN2CCCC2)c(F)c1,JEAXIKKVDRJJFN-UHFFFAOYSA-N
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-rxn:5:193382:226447:226415,O=S(=O)(c1ccc(-c2ccnc(C3CCOCC3)c2)cc1-c1ccccc1N1CCOCC1)N1CCOCC1,RYPQVVVHPDGUEN-UHFFFAOYSA-N
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-rxn:5:193382:226645:225978,O=S(=O)(c1ccc(-c2ccnc(N3CCOCC3)c2)cc1-c1ccc(N2CCOCC2)nc1F)N1CCOCC1,FTRZXCXNXDSXEX-UHFFFAOYSA-N
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-rxn:5:193382:227020:226794,O=S(=O)(c1ccc(-c2cncc(C#CC3CC3)c2)cc1-c1cnc(N2CCSCC2)nc1)N1CCOCC1,HASWBWYNLLBXDC-UHFFFAOYSA-N
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-rxn:5:193382:227432:225982,Cc1nc(C2COC2)ccc1-c1ccc(S(=O)(=O)N2CCOCC2)c(-c2cnc(N3CCOCC3)cc2F)c1,PKPUKHSYTSYZGZ-UHFFFAOYSA-N
-rxn:5:193382:227437:225879,O=S(=O)(c1ccc(-c2ccnc(C3CCCO3)c2)cc1-c1ccc(N2CCOCC2)cc1F)N1CCOCC1,LSGDHVRJFQRRNQ-UHFFFAOYSA-N
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-rxn:5:193506:226662:223148,CN1CCN(c2ccc(-c3ccc(S(=O)(=O)N4CCC(=O)CC4)c(-c4ccccc4C4CNCCO4)c3)s2)CC1,CTSWPIOBMAENBD-UHFFFAOYSA-N
-rxn:5:193506:228487:223135,O=C1CCN(S(=O)(=O)c2ccc(-c3cccc(F)c3[N+](=O)[O-])cc2-c2cccnc2C2CCCNC2)CC1,IGLNEMQPUMILFY-UHFFFAOYSA-N
-rxn:5:193506:228872:223138,COC(=O)c1sccc1-c1ccc(S(=O)(=O)N2CCC(=O)CC2)c(-c2ccnc(C3CCNCC3)c2)c1,TYDPEDJODNCMOQ-UHFFFAOYSA-N
-rxn:5:193598:223435:225598,COC(=O)c1ccc(-c2ccc(-c3cccc(CN4CCSCC4)c3)c(C(=O)N3CCOC(C)C3)c2)[nH]1,BLTBSLZYJRBZAA-UHFFFAOYSA-N
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-rxn:5:193598:226794:227495,CCN(C)c1cc(-c2ccc(-c3cnc(N4CCSCC4)nc3)cc2C(=O)N2CCOC(C)C2)c(F)cn1,ZKANDJMXSHLOBR-UHFFFAOYSA-N
-rxn:5:193681:223062:227298,CN(C)Cc1ccc(F)cc1-c1ccc(-c2cnc(C3CCNCC3)cc2F)cc1OC1CCN(C)CC1,FINNWVQDHJGVTC-UHFFFAOYSA-N
-rxn:5:193681:227297:223062,CN(C)Cc1ccc(F)c(-c2ccc(-c3cnc(C4CCNCC4)cc3F)c(OC3CCN(C)CC3)c2)c1,BDIBDLUBAJZDQI-UHFFFAOYSA-N
-rxn:5:193710:225987:225928,Cc1ccc(-c2ccc(C=C3SC(=S)N(c4cccc(-c5ccc(N6CCCS6(=O)=O)cc5)c4)C3=O)cc2)cc1S(=O)(=O)N(C)C,ISCKNZVRQRUVMG-UHFFFAOYSA-N
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-rxn:5:193752:225872:225886,CC1CCCN(C(=O)c2ccc(-c3cc(F)c(F)c(N4CCCC4)c3)c(-c3ccc4c(ccn4S(C)(=O)=O)c3)c2)C1,JZKACHWVRILTGV-UHFFFAOYSA-N
-rxn:5:193756:225592:227089,CC1CCCCN1C(=O)c1ccc(-c2cc(F)ccc2CN2CCCC2)cc1-c1ccncc1C1CCCC1,PUPMXYZEQOGWSN-UHFFFAOYSA-N
-rxn:5:193756:225600:228218,CC1CCCCN1C(=O)c1ccc(-c2cccnc2OC2CCCCC2)cc1-c1cc(C2CC2)ncc1F,YHSOJJQABAXNNW-UHFFFAOYSA-N
-rxn:5:193756:225640:228320,COC(=O)c1cc(-c2cc(-c3ccnc(N4CCCCC4C)c3)ccc2C(=O)N2CCCCC2C)ccn1,AKZFERWEJKPVLI-UHFFFAOYSA-N
-rxn:5:193756:225656:227968,CC1CCCCN1C(=O)c1ccc(-c2cncc(N3CCCCC3C)c2)cc1-c1cnccc1C1CCC1,IOWIGEODJZEAQO-UHFFFAOYSA-N
-rxn:5:193756:225819:228318,COC(=O)c1ccncc1-c1cc(-c2cc(C(F)(F)F)ccc2C2CC2)ccc1C(=O)N1CCCCC1C,GGMOGXHAIWHPOW-UHFFFAOYSA-N
-rxn:5:193756:225834:226745,CCc1ncc(C(F)(F)F)cc1-c1cc(-c2cc(N3CCCCC3)ncc2F)ccc1C(=O)N1CCCCC1C,MLGORLBQTYDIPX-UHFFFAOYSA-N
-rxn:5:193756:226176:226177,CC1CCCCN1C(=O)c1ccc(-c2ccncc2C2CCCCC2)cc1-c1ccnc(C2CCCCC2)c1,AYTVHMVTTDQUEA-UHFFFAOYSA-N
-rxn:5:193756:226182:225640,CC1CCCCN1C(=O)c1ccc(-c2cccnc2C2CCCCC2)cc1-c1ccnc(N2CCCCC2C)c1,LQJNVJLCDVSWNI-UHFFFAOYSA-N
-rxn:5:193756:226183:226744,CCc1cc(-c2cc(-c3cnccc3C3CCCCC3)ccc2C(=O)N2CCCCC2C)cnc1C(F)(F)F,XOUMZWZINYERNP-UHFFFAOYSA-N
-rxn:5:193756:226183:226842,CC1CCCCN1C(=O)c1ccc(-c2cnccc2C2CCCCC2)cc1-c1cncc(C(=O)C(F)(F)F)c1,KSJIZGROCSAOAY-UHFFFAOYSA-N
-rxn:5:193756:226438:225591,CC1CCCCN1C(=O)c1ccc(-c2cnc(C3CCCC3)cc2F)cc1-c1cc(CN2CCCC2)ccc1F,YHWXGYRREKDHHM-UHFFFAOYSA-N
-rxn:5:193756:226438:227094,CC1CCCCN1C(=O)c1ccc(-c2cnc(C3CCCC3)cc2F)cc1-c1cnccc1C1CCCC1,KIFJTMMRNUYHBG-UHFFFAOYSA-N
-rxn:5:193756:226588:226745,CCc1ncc(C(F)(F)F)cc1-c1cc(-c2cc(OC3CCC3)ncc2F)ccc1C(=O)N1CCCCC1C,WWRZFUMDFGPOAT-UHFFFAOYSA-N
-rxn:5:193756:226588:226746,CCc1cnc(C(F)(F)F)cc1-c1cc(-c2cc(OC3CCC3)ncc2F)ccc1C(=O)N1CCCCC1C,PCOFRJZRBAKKBR-UHFFFAOYSA-N
-rxn:5:193756:226588:227701,COC(=O)c1cc(-c2cc(-c3cc(OC4CCC4)ncc3F)ccc2C(=O)N2CCCCC2C)c(F)cn1,DBXNEVHGJMDBQK-UHFFFAOYSA-N
-rxn:5:193756:226601:226592,CC(C)Oc1cc(F)c(F)cc1-c1cc(-c2c(OC(C)C)ccc(F)c2F)ccc1C(=O)N1CCCCC1C,YIVJYRBVHJVOIX-UHFFFAOYSA-N
-rxn:5:193756:226664:225652,CC1CCCN(c2cncc(-c3cc(-c4cc(N5CCCC5)ncc4F)ccc3C(=O)N3CCCCC3C)c2)C1,HUJAETZNDCSLKR-UHFFFAOYSA-N
-rxn:5:193756:226744:226324,CCc1cc(-c2ccc(C(=O)N3CCCCC3C)c(-c3cccnc3OC3CCCC3)c2)cnc1C(F)(F)F,JPZFMOFCUUAIFF-UHFFFAOYSA-N
-rxn:5:193756:226842:226679,CC1CCCCN1C(=O)c1ccc(-c2cncc(C(=O)C(F)(F)F)c2)cc1-c1cnc(N2CCCC2)cc1F,CJFYPIIISASIJW-UHFFFAOYSA-N
-rxn:5:193756:226849:225656,COc1nccc(-c2ccc(C(=O)N3CCCCC3C)c(-c3cncc(N4CCCCC4C)c3)c2)c1C(F)(F)F,DRYJCGLKDQEEHQ-UHFFFAOYSA-N
-rxn:5:193756:227377:226437,CC1CCCCN1C(=O)c1ccc(-c2cncnc2C2CCCC2)cc1-c1cc(C2CCCC2)ncc1F,HAMJCLPNWIFKDW-UHFFFAOYSA-N
-rxn:5:193756:227413:226438,CC1CCCCN1C(=O)c1ccc(-c2cnc(C3CCC3)cc2F)cc1-c1cnc(C2CCCC2)cc1F,XCBXGBZDKSQNRG-UHFFFAOYSA-N
-rxn:5:193756:227519:226438,COC(=O)c1cc(C)c(-c2ccc(C(=O)N3CCCCC3C)c(-c3cnc(C4CCCC4)cc3F)c2)cn1,VDUILUZFEMVANL-UHFFFAOYSA-N
-rxn:5:193756:228218:225591,CC1CCCCN1C(=O)c1ccc(-c2cc(C3CC3)ncc2F)cc1-c1cc(CN2CCCC2)ccc1F,PJILFBHKDYLSPZ-UHFFFAOYSA-N
-rxn:5:193807:227298:223061,CC1CCN(Cc2cccc(-c3cc(C4CCNCC4)ncc3F)c2-c2cc(F)ccc2CN(C)C)CC1,VOLGIVUXAWBXRQ-UHFFFAOYSA-N
-rxn:5:193807:227301:223061,CC1CCN(Cc2cccc(-c3cc(C4CCNCC4)ncc3F)c2-c2ccc(F)cc2CN(C)C)CC1,LLSVHOYZTKNBJK-UHFFFAOYSA-N
-rxn:5:193807:227303:223062,CC1CCN(Cc2cccc(-c3cnc(C4CCNCC4)cc3F)c2-c2cccc(CN(C)C)c2F)CC1,GERRDQYMPNQFPP-UHFFFAOYSA-N
-rxn:5:193808:223058:227297,CC1CCN(Cc2cc(-c3cc(F)nc(C4CCCNC4)c3)ccc2-c2cc(CN(C)C)ccc2F)CC1,FJVAMNHANAYAET-UHFFFAOYSA-N
-rxn:5:193866:226911:227540,CCc1cc(C)cc(CC)c1-c1ccc(C2(N3CCC(=O)CC3)CC2)cc1-c1cc(SC)cc(F)c1OC,NCBPLWHISGJDDE-UHFFFAOYSA-N
-rxn:5:193867:225833:227918,O=C1CCN(C2(c3cc(-c4ccc(SC5CC5)cc4)cc(-c4ccnc(N5CCCCC5)c4F)c3)CC2)CC1,JTUAPRJJWXFNMU-UHFFFAOYSA-N
-rxn:5:193867:226328:225886,CC(C)(C#N)c1ccc(-c2cc(-c3ccc4c(ccn4S(C)(=O)=O)c3)cc(C3(N4CCC(=O)CC4)CC3)c2)cc1F,LJYJYEGPFCYDPE-UHFFFAOYSA-N
-rxn:5:193868:227673:226750,COc1ccc(C(F)(F)F)cc1-c1ccc(-c2cccc(C(C)(F)F)c2F)cc1C(=O)N1CC(C)OC(C)C1,FULOESUBHCOJNT-UHFFFAOYSA-N
-rxn:5:193869:227283:223284,Cc1cc(-c2cc(C#N)nc(C3CC3)c2)c(S(=O)(=O)N2CCCCC2)cc1-c1ccc(NS(C)(=O)=O)cc1,DFCZUCWQNHUEHD-UHFFFAOYSA-N
-rxn:5:193870:228234:226729,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cnc(OC3CCOC3)nc2)cc1-c1c(C2CC2)ccnc1F,DYQSCCSQBSYFOY-UHFFFAOYSA-N
-rxn:5:193871:227559:226318,Cc1ccc(-c2cc(C(=O)N3CCC4(CC3)CC4)ccc2-c2cc(C3CC3)nc(N(C)C)c2)cc1OC(F)F,QHKZNCUFYDJZAC-UHFFFAOYSA-N
-rxn:5:193872:225656:227057,COc1cccc(-c2cc(C(=O)N3CCC4(CC3)CC4)ccc2-c2cncc(N3CCCCC3C)c2)c1C1CC1,NAKNZSGZIGRUTE-UHFFFAOYSA-N
-rxn:5:193872:225886:225927,CN(C)c1ccc(C(F)(F)F)cc1-c1cc(C(=O)N2CCC3(CC2)CC3)ccc1-c1ccc2c(ccn2S(C)(=O)=O)c1,LFHHBGLLGJZEBB-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:5:193872:226915:223241,O=C(c1ccc(-c2ccc(C3CCCC3)cc2)c(-c2cncc(C3CCNC3)c2)c1)N1CCC2(CC1)CC2,WTMUQLNATXATPI-UHFFFAOYSA-N
-rxn:5:193912:227060:226326,Cc1ccc(-c2ccc(N3C(=O)CS(=O)C(c4ccc(-c5cccc(C6(C#N)CC6)c5F)cc4)C3=O)cc2)cc1OC(C)C,FYRCWTODUAUUKO-UHFFFAOYSA-N
-rxn:5:193972:228430:223200,CSc1cc(F)c(-c2cc(C)c(-c3ccc(C4CCNC4)cc3)cc2S(=O)(=O)N2CCCCCC2)c(F)c1,WDCHSGUFMYRVTQ-UHFFFAOYSA-N
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-rxn:5:196873:226452:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(N2CCOCC2)ccc1-c1ccc(C2OCCCO2)cc1,YOBVXADHRJFCKK-UHFFFAOYSA-N
-rxn:5:196971:223137:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2cncc(C3CCCNC3)c2)ncc1C1CCCCC1,IRPRGBWIUIGRAX-UHFFFAOYSA-N
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-rxn:5:197876:225602:227944,CC(C)(C)c1cncc(-c2cc3c(cc2-c2cc(C4(C#N)CCC4)ccc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,APDNYDNSWFCAPA-UHFFFAOYSA-N
-rxn:5:197876:225603:227860,CN1CCc2cc(-c3cc4c(cc3-c3cccc(C5(C#N)CCC5)c3F)S(=O)(=O)N(C(C)(C)C)C4=O)ccc21,SPQZPCPBENJNMR-UHFFFAOYSA-N
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-rxn:5:197876:226031:227279,CC(C)n1nc(C2CC2)cc1-c1cc2c(cc1-c1ccc(C(F)(F)F)cc1C(F)F)S(=O)(=O)N(C(C)(C)C)C2=O,AUZUWKZKBQVYES-UHFFFAOYSA-N
-rxn:5:197876:226031:228113,CCc1nc(OC)ccc1-c1cc2c(cc1-c1ccc(C(F)(F)F)cc1C(F)F)S(=O)(=O)N(C(C)(C)C)C2=O,RCCXNGHKEOFBGT-UHFFFAOYSA-N
-rxn:5:197876:226037:227909,CCC(C)c1cc(-c2cc3c(cc2-c2ccc(C(F)(F)F)c(OC)c2F)S(=O)(=O)N(C(C)(C)C)C3=O)ccn1,CCQTULXSHVZYQF-UHFFFAOYSA-N
-rxn:5:197876:226058:223353,CC(=O)Nc1cccc(-c2cc3c(cc2-c2c(C(C)C)cccc2C(C)C)S(=O)(=O)N(C(C)(C)C)C3=O)c1,OSFVIWUZVCZHQV-UHFFFAOYSA-N
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-rxn:5:197876:226058:227560,COc1ccc(-c2cc3c(cc2-c2c(C(C)C)cccc2C(C)C)S(=O)(=O)N(C(C)(C)C)C3=O)cc1C(F)F,XYBJRPZGBNNWLC-UHFFFAOYSA-N
-rxn:5:197876:226058:227908,CC(C)Cc1ncccc1-c1cc2c(cc1-c1c(C(C)C)cccc1C(C)C)S(=O)(=O)N(C(C)(C)C)C2=O,OWQIEKFDYCPAIU-UHFFFAOYSA-N
-rxn:5:197876:226058:227989,CC#Cc1ccc(F)c(-c2cc3c(cc2-c2c(C(C)C)cccc2C(C)C)S(=O)(=O)N(C(C)(C)C)C3=O)c1,UMBRSUCFWUTXGW-UHFFFAOYSA-N
-rxn:5:197876:226058:228420,CSc1c(F)cc(-c2cc3c(cc2-c2c(C(C)C)cccc2C(C)C)S(=O)(=O)N(C(C)(C)C)C3=O)cc1F,SCFRFNGFKAPEFI-UHFFFAOYSA-N
-rxn:5:197876:226067:228567,CCC(C)c1sccc1-c1cc2c(cc1-c1ccc(C3=CCCCC3)cc1)S(=O)(=O)N(C(C)(C)C)C2=O,KIUZMZSXYPKRGE-UHFFFAOYSA-N
-rxn:5:197876:226149:227076,CCC(C)c1ccc(F)c(-c2cc3c(cc2-c2ccc(OC)c(C(C)(C)C)c2)S(=O)(=O)N(C(C)(C)C)C3=O)c1,UXHAPQYSQYSJHF-UHFFFAOYSA-N
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-rxn:5:197876:226155:227978,CC(=O)c1cc(-c2cc3c(cc2-c2cc(C(C)C)ccc2F)C(=O)N(C(C)(C)C)S3(=O)=O)cc(C2CC2)c1,MFIFGMNCYZTGRK-UHFFFAOYSA-N
-rxn:5:197876:226190:227402,CC(C)(C)c1cc(-c2cc3c(cc2-c2ccc(C4CCCC4)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc(F)n1,NJXVRBPXFRTKKQ-UHFFFAOYSA-N
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-rxn:5:197876:226325:226913,CCc1cc(-c2cc3c(cc2-c2ccc(C(C)(C)C#N)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc(C2CC2)c1,DRTWYXXAGRWCBB-UHFFFAOYSA-N
-rxn:5:197876:226331:226188,Cc1cc([Si](C)(C)C)c(C)cc1-c1cc2c(cc1-c1ccc(C3(C#N)CC3)cc1F)S(=O)(=O)N(C(C)(C)C)C2=O,XPKBMSZIPOIHPK-UHFFFAOYSA-N
-rxn:5:197876:226331:227100,Cc1cc(C2CC2)cc(F)c1-c1cc2c(cc1-c1ccc(C3(C#N)CC3)cc1F)S(=O)(=O)N(C(C)(C)C)C2=O,IEFHSAIEJDLETB-UHFFFAOYSA-N
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-rxn:5:197876:226349:228341,CC(C)(C)Oc1cc(F)cc(-c2cc3c(cc2-c2ccc(OC(F)F)cc2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,FHPOSXBSZRRPKV-UHFFFAOYSA-N
-rxn:5:197876:226427:228781,CC1CCN(c2csc(-c3cc4c(cc3-c3ccc(C(F)F)cc3)C(=O)N(C(C)(C)C)S4(=O)=O)c2)CC1,NMTCTDMGIYFRQS-UHFFFAOYSA-N
-rxn:5:197876:226432:228202,CN(C)c1cc(-c2cc3c(cc2-c2ccc(C4CCCC4)nc2F)S(=O)(=O)N(C(C)(C)C)C3=O)ccc1F,JKWCNOVCIWUGTC-UHFFFAOYSA-N
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-rxn:5:197876:226589:227860,CC(C)c1cnc(C(F)F)cc1-c1cc2c(cc1-c1ccc3c(c1)CCN3C)C(=O)N(C(C)(C)C)S2(=O)=O,KBZSBQFVTVNKQB-UHFFFAOYSA-N
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-rxn:5:197876:226709:226085,Cc1cc(C(F)(F)F)cc(C)c1-c1cc2c(cc1-c1ccc3c(c1)CCC(C)(C)O3)C(=O)N(C(C)(C)C)S2(=O)=O,PWGRFBRPKBEVNC-UHFFFAOYSA-N
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-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
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-rxn:5:197876:226768:223361,CSc1ccc(-c2cc3c(cc2-c2ccc(C(C)=NO)cc2)C(=O)N(C(C)(C)C)S3(=O)=O)cc1C(F)(F)F,UQSWZAKYJJHDRT-UHFFFAOYSA-N
-rxn:5:197876:226768:226189,CSc1ccc(-c2cc3c(cc2-c2ccc(C4CCCC4)c(F)c2)C(=O)N(C(C)(C)C)S3(=O)=O)cc1C(F)(F)F,QHCGIHZZLBDGLC-UHFFFAOYSA-N
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-rxn:4:173704:222970,COc1cccc2c(-c3ccccc3C(=O)NCC(C)C)ccc(O[Si](C(C)C)(C(C)C)C(C)C)c12,HUWRJVZANLUKKX-UHFFFAOYSA-N
-rxn:4:173723:223889,CC(C)(C)OC(=O)N1CCc2cccc(-c3ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc3)c2C1,TVDMOKLXBJCQPF-UHFFFAOYSA-N
-rxn:4:173723:223992,Cc1ccc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)cc1S(=O)(=O)N1CCN(C)CC1,NUKJEAAFLQNUHI-UHFFFAOYSA-N
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-rxn:4:173723:224409,O=C(COS(=O)(=O)C(F)(F)F)c1ccc(-c2cc(OCC(F)(F)F)cc(C(F)(F)F)c2)cc1,CRQYMZWFMOKZLE-UHFFFAOYSA-N
-rxn:4:173723:224686,O=C(COS(=O)(=O)C(F)(F)F)c1ccc(-c2ccc(C(=O)N3CCCCC3)cc2F)cc1,SPNYNHCVGAIGFL-UHFFFAOYSA-N
-rxn:4:173762:223946,CCN(C(=O)OC(C)(C)C)c1ccc(-c2ccccc2C(=O)CC(=O)C(=O)OC)c(Cl)c1,HTOYYRJTCFFIKJ-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:4:173783:222604,COC(=O)c1cc(-c2ccc(OC)c(S(=O)(=O)NC3CCCC3)c2)ccc1OCC(F)(F)F,SQZXFKMMTCPQDY-UHFFFAOYSA-N
-rxn:4:173783:223958,CCN1CCN(C(=O)c2ccc(-c3ccc(OCC(F)(F)F)c(C(=O)OC)c3)cc2F)CC1,QMOUTVCWEOVVQM-UHFFFAOYSA-N
-rxn:4:173802:223023,CN(C)C(=O)NCc1ccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)cc1,VNLNDNURFXGEDZ-UHFFFAOYSA-N
-rxn:4:173802:224663,CN1CCN(Cc2ccc(-c3ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc3)cc2F)CC1,WVSBGLGWNIXRLF-UHFFFAOYSA-N
-rxn:4:173802:224679,O=C(c1cc(Cl)cc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)c1)N1CCCCC1,NFYMVTSHIINDGJ-UHFFFAOYSA-N
-rxn:4:173802:225377,O=S(=O)(OC(c1ccc(-c2ccc(OC(F)F)c(C(F)(F)F)c2)cc1)C(F)(F)F)C(F)(F)F,IVXFMXNLGHPLCS-UHFFFAOYSA-N
-rxn:4:173802:225541,CCN(CC)Cc1cc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)ccc1F,HZKOUCUKSVVSMD-UHFFFAOYSA-N
-rxn:4:173926:223652,C#Cc1cc(F)c(OC(C)C(=O)OC)c(-c2cc3c(Cl)ccc(OC)c3n2C(=O)OC(C)(C)C)c1,KVLFZQAHGKHADR-UHFFFAOYSA-N
-rxn:4:174017:224089,COC(=O)c1cc(F)c(OCC(C)(F)F)cc1-c1ccc(OCCN2CCC(C)CC2)cc1,QZMJVMGLNJAJLR-UHFFFAOYSA-N
-rxn:4:174079:224169,COC(=O)c1cc(F)c(OCC2CC2)cc1-c1cccc(OCCCN2CCOCC2)c1,VWPYYTSDAUFMNK-UHFFFAOYSA-N
-rxn:4:174132:223866,COC(=O)C(Oc1ccc(-c2ccccc2CN2C(C)(C)CCCC2(C)C)cc1)C(C)C,UGCMLTMMZNUGBY-UHFFFAOYSA-N
-rxn:4:174195:224368,CN(C(=O)OC(C)(C)C)c1cc(-c2cccc(C(=O)CC(=O)OC(C)(C)C)c2)cnc1Cl,BUKYIZAFGVHQGA-UHFFFAOYSA-N
-rxn:4:174404:223559,COC(=O)c1cc(-c2ccc(OC(F)(F)F)cc2)c(C)c(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)c1,LTTRBXKWJUQYKD-UHFFFAOYSA-N
-rxn:4:174428:225279,Cc1nn(C(=O)OC(C)(C)C)c(C)c1-c1ccc(SC(C)(C)C(=O)OC(C)(C)C)cc1,XFTZUNLGKOWXET-UHFFFAOYSA-N
-rxn:4:174432:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2cc(C(=O)OC(C)(C)C)ccc2OC(C)C)cc1,YEFSVTVDHREDQS-UHFFFAOYSA-N
-rxn:4:174432:224609,CC(C)Oc1ccc(C(=O)OC(C)(C)C)cc1-c1cnccc1C(=O)N(C(C)C)C(C)C,LLVGALLGQIGWFY-UHFFFAOYSA-N
-rxn:4:174481:224835,CN(C)S(=O)(=O)n1nc(C(F)(F)F)cc1-c1cc(C(=O)OC(C)(C)C)cc(-c2cccc(C(F)(F)F)c2)c1,SONIQADMMNCQGG-UHFFFAOYSA-N
-rxn:4:174515:222829,CNS(=O)(=O)c1ccc(-c2ccc(O[Si](C(C)C)(C(C)C)C(C)C)cc2)c(C(F)(F)F)c1,XYFZZOBIWVIRDM-UHFFFAOYSA-N
-rxn:4:174522:223934,CC(C)[Si](C#Cc1ccc(-c2cc3ccc(F)cc3n2C(=O)OC(C)(C)C)cc1)(C(C)C)C(C)C,MKEUKLXLXCATLI-UHFFFAOYSA-N
-rxn:4:174522:224128,CC(C)[Si](C#Cc1ccc(-c2ccc(C(=O)N(C)C3CCCCC3)cc2)cc1)(C(C)C)C(C)C,GLIREUJKXYVLCT-UHFFFAOYSA-N
-rxn:4:174528:225110,COc1ccc(C)c(-c2c(C(C)C)cc(C(C)C)cc2C(C)C)c1-c1ccc(OC(=O)OC(C)(C)C)cc1,SADGJZNEZCWKRZ-UHFFFAOYSA-N
-rxn:4:174656:222793,CC(C)[Si](C#Cc1cccc2cccc(-c3cccc(NC(=O)OC(C)(C)C)c3F)c12)(C(C)C)C(C)C,VQJWVPDJJFGUOG-UHFFFAOYSA-N
-rxn:4:174730:223894,COC(=O)c1ccc(OC(F)(F)F)c(-c2cccc(OCCCN3CCN(C)CC3)c2)c1,XTACSVXFZVDDDO-UHFFFAOYSA-N
-rxn:4:174862:223559,CCOC(=O)Cc1ccc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)cc1Cl,XSQRYMBEOUWJDU-UHFFFAOYSA-N
-rxn:4:175073:223832,CCOc1ccc(-c2cc(S(=O)(=O)N3CCC(C)CC3)ccc2OC)c(C(=O)OC)c1F,RCJWHUJGKKNVPD-UHFFFAOYSA-N
-rxn:4:175079:223753,CCOc1cc(C(=O)OC)c(F)cc1-c1ccc(C)c(OCCCN2CCN(C)CC2)c1,XTNDNRVNECDLTR-UHFFFAOYSA-N
-rxn:4:175710:223784,CCN1CCN(CCOc2ccc(-c3cc(C(=O)OC)ccc3OC(C)(C)C)cc2F)CC1,MTXZNNAZTKNIHT-UHFFFAOYSA-N
-rxn:4:175729:222684,Fc1cc(-c2ccc(OCCN3CCNCC3)c(Cl)c2)ccc1OCCC1OCCCO1,UYLQLWHDIUUQNB-UHFFFAOYSA-N
-rxn:4:175792:223689,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(-c4ccccc4C(=O)OC)cc3C(F)(F)F)ccc2OC)CC1,HFDMPRZHDINCHF-UHFFFAOYSA-N
-rxn:4:175827:223901,COC(=O)c1cc(F)c(OC2CCCC2)cc1-c1ccc(OCCN2CCC(C)CC2)c(Cl)c1,LJEOLOYZDGIOKL-UHFFFAOYSA-N
-rxn:4:175827:224194,CCN1CCN(Cc2ccc(-c3cc(OC4CCCC4)c(F)cc3C(=O)OC)cc2Cl)CC1,GZNFAMKPHSSSEI-UHFFFAOYSA-N
-rxn:4:175827:224491,COC(=O)c1cc(F)c(OC2CCCC2)cc1-c1ccc(F)c(CN(C(C)C)C(C)C)c1,XCBHDMKYSDVSSO-UHFFFAOYSA-N
-rxn:4:175839:223559,COC(=O)c1ccc(-c2ccc(OC)c(-c3ccc4c(c3)C(C)=CC(C)(C)N4C(=O)OC(C)(C)C)c2)cc1,NZJDNOJSDMECHJ-UHFFFAOYSA-N
-rxn:4:176018:224056,CCC[C@H]1CC[C@H](c2ccc(-c3cc(OC)c(OCC4CCCCC4)cc3F)c(F)c2)CC1,PPHLQGDKTXGRCW-AQYVVDRMSA-N
-rxn:4:176182:223525,CC(C)c1cc(C(C)C)c(-c2ccccc2-c2cccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)c(C(C)C)c1,LHQMMIWLEHHXBX-UHFFFAOYSA-N
-rxn:4:176343:222439,C#Cc1cc(-c2ccc(S(=O)(=O)NC3CCCCC3)cc2C(F)(F)F)ccc1OC(F)(F)F,QZSIWJULFYLTTO-UHFFFAOYSA-N
-rxn:4:176614:223490,COC(=O)Cc1cc(F)c(F)cc1-c1ccc(C)c(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1,JNPYSWWCADULMU-UHFFFAOYSA-N
-rxn:4:177953:223559,CCC(C)(C)C(=O)c1cccc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)c1,PHOMUJBJIDPAIT-UHFFFAOYSA-N
-rxn:4:178039:224719,CC(C)c1nn(C(=O)OC(C)(C)C)cc1-c1ccc(C(=O)C(C)(C)C)c(C(F)(F)F)c1,LNGVYKKTTBKEDH-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:4:178381:224740,CN(C(C)(C)C)S(=O)(=O)c1cccc(-c2c(C(C)(C)C)cc(C(C)(C)C)cc2C(C)(C)C)c1,RBIYTBCRIMAWNR-UHFFFAOYSA-N
-rxn:4:178384:223059,Clc1cc(N2CCNCC2)ccc1-c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1,NHQMQLGQGJCYRX-UHFFFAOYSA-N
-rxn:4:178384:226293,Clc1cc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)ccc1OCC1CC1,DGPUHTQIABUMTO-UHFFFAOYSA-N
-rxn:4:178768:223596,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)ccc2-c2ccc(Cl)c(C(=O)C(F)F)c2F)CC1,QDDUOKZIJWRHQZ-UHFFFAOYSA-N
-rxn:4:178943:223679,CCN1CCN(S(=O)(=O)c2c(C)cc(-c3ccc(C(F)F)cc3C(F)(F)F)cc2C)CC1,YIUGTOAATKBVDN-UHFFFAOYSA-N
-rxn:4:180456:223787,Cc1ccc(OC2CCCCC2)cc1-c1ccc(OCCCN2CCN(C)CC2)c(F)c1,YSBXLBZFBLXWAP-UHFFFAOYSA-N
-rxn:4:180792:222777,CCOC1CCC2(CC1)Cc1ccc(-c3ccc(CN4CCC(O)CC4)c(Cl)c3)cc1C2=O,SQJPFSQSALOLOA-UHFFFAOYSA-N
-rxn:4:183273:228815,CSc1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c(Cl)c1,HYSHLNPSIKNLPC-UHFFFAOYSA-N
-rxn:4:183274:229279,Clc1ncncc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCOCCO2,FYAHSMOETGSFQI-UHFFFAOYSA-N
-rxn:4:183377:223522,CC(C)(C)[Si](C)(C)OC1CCN(c2cc(F)cc(-c3ccc4c(c3)C3(CCCC3)c3ccccc3-4)c2)CC1,CTUIWRWAJNGCEU-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:4:183610:225748,O=C(COc1ccc(OC(F)(F)F)cc1-c1ccncc1OCC1CCCO1)N1CCC1,DLDYFACNAZYOKB-UHFFFAOYSA-N
-rxn:4:183610:225753,COC(=O)c1cnc(C2CC2)c(-c2cc(OC(F)(F)F)ccc2OCC(=O)N2CCC2)c1,QZIIEXQBRIMGSZ-UHFFFAOYSA-N
-rxn:4:183641:223993,Cc1cc(-c2cccc(OCCC(=O)ON3C(=O)CCC3=O)c2)ccc1S(=O)(=O)N1CCN(C)CC1,ZIDVPALZXQPGHS-UHFFFAOYSA-N
-rxn:4:183695:223691,O=C(COc1ccc(OC(F)(F)F)cc1-c1cc(OCc2cccnc2)c(C(F)(F)F)cc1Cl)N1CCCC1,JGILNZRBDINUBX-UHFFFAOYSA-N
-rxn:4:183795:224277,COC(=O)c1ccc(N(C)C(=O)OC(C)(C)C)c(-c2ccnc3c2ccn3C(=O)OC(C)(C)C)c1,DOAKUMGZHIGWBO-UHFFFAOYSA-N
-rxn:4:183804:223951,CN1CCN(CCOc2ccc(-c3cc(OC(F)(F)F)ccc3OCCN3CCCCC3)cc2F)CC1,RDMYQCVJXZRDHB-UHFFFAOYSA-N
-rxn:4:183804:224598,COc1cc(N2CCC(C)CC2)ccc1-c1cc(OC(F)(F)F)ccc1OCCN1CCCCC1,WWNBCCDYPMYQRR-UHFFFAOYSA-N
-rxn:4:183808:227416,Fc1cc(-c2ccc(OC(F)(F)F)cc2OCCN2CCC(F)(F)CC2)cc(C2CCC2)n1,BYZGZDJZODXPSF-UHFFFAOYSA-N
-rxn:4:183833:225361,C#Cc1ccc(-c2cn(C3CCCC3)nc2C(F)(F)F)cc1OC1CN(C(=O)OC(C)(C)C)C1,KAINQEYVZMZRRE-UHFFFAOYSA-N
-rxn:4:183836:226031,CCN(C(=O)COc1ccc(-c2ccc(C(F)(F)F)cc2C(F)F)cc1)C1CCS(=O)(=O)C1,CBSJHCWIHXAZBY-UHFFFAOYSA-N
-rxn:4:183837:225910,CCOc1cc(C(F)(F)F)ccc1-c1ccc(OCC(=O)N2CCC(C(=O)OC)CC2)cc1,SZNHVOOZMJUESS-UHFFFAOYSA-N
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-rxn:4:185022:223845,CN1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2cccc(F)c2OCCCN2CCCCC2)CC1,OQFLCSQXCYXODN-UHFFFAOYSA-N
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-rxn:4:185145:222622,CCOC(=O)C1CCCN(S(=O)(=O)c2ccc(-c3cc(C(C)CC)nc(C4CCCNC4)c3)cc2)C1,PSYJNHAIUAXOLO-UHFFFAOYSA-N
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-rxn:4:185145:224683,CCOC(=O)C1CCCN(S(=O)(=O)c2ccc(-c3cc(F)cc(C(=O)N4CCCCC4)c3)cc2)C1,SLCYMBFBTUWAHM-UHFFFAOYSA-N
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-rxn:4:185160:222700,COC(=O)c1ccc(-c2ccc(C(F)(F)F)cc2C2CCCNC2)c(CN2CCCC(C(F)(F)F)C2)c1,FUPMNIRMNADTTC-UHFFFAOYSA-N
-rxn:4:185160:227476,CCOC(=O)c1ccc(-c2ccc(C(=O)OC)cc2CN2CCCC(C(F)(F)F)C2)cn1,SWZVSIKIMZDYEX-UHFFFAOYSA-N
-rxn:4:185161:223883,CC(C)(C)OC(=O)N1CC(c2ccc(C(F)(F)F)cc2-c2ccc3c(c2)CCCN3C(=O)OC(C)(C)C)C1,AUJGYQGVPBTICL-UHFFFAOYSA-N
-rxn:4:185161:226021,CC(C)(C)OC(=O)N1CC(c2ccc(C(F)(F)F)cc2-c2cc(Cl)ccc2OCC(F)(F)F)C1,KLYFZMHMDBRGGP-UHFFFAOYSA-N
-rxn:4:185161:227185,CN1CCOc2ccc(-c3cc(C(F)(F)F)ccc3C3CN(C(=O)OC(C)(C)C)C3)cc21,JZWNPHPDZQWDPL-UHFFFAOYSA-N
-rxn:4:185164:222919,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc(C3CN(C(=O)OC(C)(C)C)C3)cc2C(F)(F)F)cc1,BSICGDOJEUQSSA-UHFFFAOYSA-N
-rxn:4:185166:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2cc(C3CN(C(=O)OC(C)(C)C)C3)ccc2C(F)(F)F)cc1,ZJJAXXMVJUUHAN-UHFFFAOYSA-N
-rxn:4:185201:223491,COc1cc(C2CN(C(=O)OC(C)(C)C)C2)ccc1-c1cc(N2CCN(C(=O)OC(C)(C)C)CC2)cc(C(F)(F)F)c1,UMKMLGISNICVFA-UHFFFAOYSA-N
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-rxn:4:185268:225526,CCN(CC)C(=O)c1cccc(-c2cccc(S(=O)(=O)C3CCN(C(=O)OC(C)(C)C)C3)c2)c1,OVUHDBONKNXIJF-UHFFFAOYSA-N
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-rxn:4:185301:222799,Cc1ccc(-c2ccc(S(=O)(=O)NC(C)(C)C)c(C)c2)cc1OCCCN1CCC(C)CC1,VAEZUYBDDPDDSB-UHFFFAOYSA-N
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-rxn:4:185317:223501,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3cc(C4CN(C(=O)OC(C)(C)C)C4)ccc3C3CC3)cc2Cl)CC1,GCPKMNVTJVTYPO-UHFFFAOYSA-N
-rxn:4:185317:223536,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cc(C4CN(C(=O)OC(C)(C)C)C4)ccc3C3CC3)cc(F)c2F)CC1,XYYPANOCZRZIPJ-UHFFFAOYSA-N
-rxn:4:185323:224286,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3ccc(OCCN4CCOCC4)c(Cl)c3)cc2F)CC1,NZGFFACDRCOICN-UHFFFAOYSA-N
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-rxn:4:185358:224076,CC(C)(C)OC(=O)N1CCC(C(=O)c2cccc(-c3ccc4c(ccn4[Si](C)(C)C(C)(C)C)c3)c2F)CC1,FVYQVLBQEORQSE-UHFFFAOYSA-N
-rxn:4:185367:222776,CC1CCN(C(=O)COc2ccc(C(C)C)cc2-c2ccc(CN3CCC(O)CC3)cc2F)CC1,YBKLQIQHIVFJTI-UHFFFAOYSA-N
-rxn:4:185367:226338,CC1CCN(C(=O)COc2ccc(C(C)C)cc2-c2ccnc(OC3CCCC3)c2)CC1,CTHPOFMKDZQRTJ-UHFFFAOYSA-N
-rxn:4:185376:227789,CC(C)CS(=O)(=O)C1CCCN(S(=O)(=O)c2ccccc2-c2cc(Cl)nc(C(F)(F)F)c2)C1,RISQUWCNDQNGQZ-UHFFFAOYSA-N
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-rxn:4:185381:223594,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)cc(-c3cc(C4CCCN(C(=O)OC(C)(C)C)C4)cc(C(F)(F)F)c3)c2)CC1,XNEIABIDWLXIJJ-UHFFFAOYSA-N
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-rxn:4:185432:223084,Cc1cc(OC2CCN(C(=O)OC(C)(C)C)CC2)cc(C)c1-c1cnc(N2CCC(O)CC2)nc1,WEFSORCNGBLNBT-UHFFFAOYSA-N
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-rxn:4:185440:227092,Cc1nc(C2CCC2)ccc1-c1ccc(S(=O)(=O)N2CCC(O[Si](C)(C)C(C)(C)C)CC2)cc1F,STOJSCKAWXKRNM-UHFFFAOYSA-N
-rxn:4:185492:224716,COC(=O)c1cccc2c1c(-c1ccc(N(C)C(=O)OC(C)(C)C)nc1)cn2C(=O)OC(C)(C)C,VTZMLWOPDJFPTH-UHFFFAOYSA-N
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-rxn:4:185574:224552,COc1cc(CN2CCc3c(cccc3-c3cc(F)cc(COC4CCCCC4)c3)C2)cc(OC)c1OC,JZGGNTJLOVVRFS-UHFFFAOYSA-N
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-rxn:4:187571:223774,COc1cccc2c1cc(-c1ccc(C3CCN(C(=O)OC(C)(C)C)CC3)cc1)n2C(=O)OC(C)(C)C,KXNRUESMHXHJGZ-UHFFFAOYSA-N
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-rxn:4:187625:224291,CC1CCN(Cc2c(OC(C)C)cccc2-c2ccc(OCCN3CCOCC3)c(F)c2)CC1,HHQZUAUXZLZQFC-UHFFFAOYSA-N
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-rxn:4:187648:223079,CC(C)NS(=O)(=O)c1cccc(-c2ccc(C3(C)CCCN(C(=O)OC(C)(C)C)C3=O)cc2)c1,UTXNYVBPPDERSW-UHFFFAOYSA-N
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-rxn:4:187667:222812,Cc1c(-c2cnc(Cl)c(NC(=O)OC(C)(C)C)c2)cccc1C1CCCN(C(=O)OC(C)(C)C)C1,YHNNOCCNKIUKHP-UHFFFAOYSA-N
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-rxn:4:187670:226421,CC1CN(C(=O)OC(C)(C)C)CCC1c1cc(Cl)cc(-c2ccc(Cl)cc2N2CCCC2)c1,ZSLJJQUJDDDXKP-UHFFFAOYSA-N
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-rxn:4:187918:225947,COc1cc(-c2cnc(N3CCN(C)CC3)nc2)cc2c1OCCN(C(=O)OC(C)(C)C)C2,ZAUCTMKOHYQPQN-UHFFFAOYSA-N
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-rxn:4:187933:224588,CC1CCN(Cc2cc(F)cc(-c3c(OCC(=O)N4CCC(C)CC4)ccc4ccccc34)c2)CC1,FKKWFWYINKMLLU-UHFFFAOYSA-N
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-rxn:4:187970:223918,CC(C)[Si](C(C)C)(C(C)C)n1cc(-c2cc(C(=O)N(C)C3CCCCC3)ccc2F)c2ccccc21,TYMWECSYJNYVAQ-UHFFFAOYSA-N
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-rxn:4:189935:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3ccc(N4CCOCC4)c(C(=O)OC)c3)c2)CC1,QZOWTQNEVWHHDB-UHFFFAOYSA-N
-rxn:4:190166:224198,CCN1CCN(Cc2ccc(-c3ccc(S(=O)(=O)N4CCCCC4)cc3C(F)(F)F)c(F)c2)CC1,ANSFETBEHZMROT-UHFFFAOYSA-N
-rxn:4:190173:226840,N#Cc1cc(-c2cc(S(=O)(=O)N3CCC(C(F)(F)F)CC3)c(F)cc2F)cc(C(F)(F)F)n1,UYUBUVLNWAZTPR-UHFFFAOYSA-N
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-rxn:4:190214:224320,COc1cc(S(=O)(=O)N2CCCCC2)ccc1-c1cc(S(=O)(=O)N2CCCCC2)ccc1C,CZNHLRMKCUTQRB-UHFFFAOYSA-N
-rxn:4:190214:224397,COc1cc(S(=O)(=O)N2CCCCC2)ccc1-c1ccc(S(=O)(=O)N2CCC(=O)CC2)cc1,WBKBTLPYULVGPX-UHFFFAOYSA-N
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-rxn:4:190270:224253,CC1CCCCN1C(=O)Cc1ccc(F)cc1-c1ccc(F)c(C(=O)N2CCCCC2C)c1,LAPPCYGXOFNNBE-UHFFFAOYSA-N
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-rxn:4:190331:224286,COc1ccc(C(=O)N2CCCCC2C)c(-c2ccc(OCCN3CCOCC3)c(Cl)c2)c1,IKPUZHVYRIGTEJ-UHFFFAOYSA-N
-rxn:4:190339:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2cccc(C(C)N3CCCC(C(F)(F)F)C3)c2)cc1,BAEKOFSVNBHYKG-UHFFFAOYSA-N
-rxn:4:190355:223058,CC1CCN(S(=O)(=O)c2cc(-c3cc(F)nc(C4CCCNC4)c3)cc(C(F)(F)F)c2)CC1,VKSYTSOHUQZWRR-UHFFFAOYSA-N
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-rxn:4:190496:222645,CC1CCN(Cc2cc(-c3cccc(OCCN4CCC(O)CC4)c3)cc(C(C)(C)C)c2)CC1,WPNDNEQOJSABMS-UHFFFAOYSA-N
-rxn:4:190833:223590,Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1-c1ccc(Cl)c2c1C(=O)N(C(=O)OC(C)(C)C)C2,IAJSMWNGSWDVSP-UHFFFAOYSA-N
-rxn:4:190833:223748,CC(C)(C)OC(=O)N1Cc2c(Cl)ccc(-c3cc(N4CCCCC4)cc(N4CCCCC4)c3)c2C1=O,SHCMLQPCQYCDSY-UHFFFAOYSA-N
-rxn:4:190856:224834,CN(C)S(=O)(=O)n1cc(-c2cccc3c2N(C(=O)OC(C)(C)C)CC3)c(C(F)(F)F)n1,QZZYWTDPJQDJCH-UHFFFAOYSA-N
-rxn:4:190857:223595,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cc4c(s3)CN(C(=O)OC(C)(C)C)CC4)cc2F)CC1,RGVMPFRFKYQWNB-UHFFFAOYSA-N
-rxn:4:190926:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3ccc4c(c3)N(C(=O)OC(C)(C)C)CCC4=O)cc21,LVZLCEIDNBVUQL-UHFFFAOYSA-N
-rxn:4:190933:222600,CC1c2cc(-c3ccc4nc(NC(=O)OC(C)(C)C)sc4c3)ccc2C(=O)N1C(=O)OC(C)(C)C,QLALANVUIMTZBS-UHFFFAOYSA-N
-rxn:4:190960:222543,CC1c2cc(-c3ccc(C4(NC(=O)OC(C)(C)C)CC4)cc3)ccc2CN1C(=O)OC(C)(C)C,DSBPLCJKDJDFLO-UHFFFAOYSA-N
-rxn:4:191008:222802,Cc1ccc(-c2ccc3c(c2)C(=O)N(C(=O)OC(C)(C)C)C3(C)C)c(S(=O)(=O)NC(C)(C)C)c1,LAACWWJKRCPWRW-UHFFFAOYSA-N
-rxn:4:191033:222823,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)CCC3)c(F)c1,ZSYIXNMLXFNUIY-UHFFFAOYSA-N
-rxn:4:191038:222725,CCNS(=O)(=O)c1ccc(-c2ccc3c(c2)CCN(C(=O)OC(C)(C)C)C3C)c(C(F)(F)F)c1,NYYICEXGADBXGW-UHFFFAOYSA-N
-rxn:4:191042:223490,Cc1ccc(-c2ccc3c(c2)C(=O)C2(C3)CN(C(=O)OC(C)(C)C)C2)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,WBZHEJFYCNUEFS-UHFFFAOYSA-N
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-rxn:4:202457:223567,CC(C)Oc1ccc2c(c1)cc(-c1cc(C(F)F)c3cnn(C(=O)OC(C)(C)C)c3c1)n2C(=O)OC(C)(C)C,TXOSBQZOQMJOMS-UHFFFAOYSA-N
-rxn:4:202469:222820,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)C3C#N)cc1F,NLDWGYXZIBYTGS-UHFFFAOYSA-N
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-rxn:4:202675:224322,CC1CCN(S(=O)(=O)c2ccc(-c3cn([Si](C(C)C)(C(C)C)C(C)C)c4ncccc34)cc2)CC1,LIJWOTDTWXASKA-UHFFFAOYSA-N
-rxn:4:202690:224179,CC1Oc2ccc(-c3ccc(OCCN4CCN(C)CC4)cc3)cc2CN(CCc2ccc(S(N)(=O)=O)cc2)C1=O,MMYPYFAGPGFHQG-UHFFFAOYSA-N
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-rxn:4:202720:223840,COc1ccc(-c2ccc(S(=O)(=O)c3c(C(=O)N4CCCC4)cnc4ccc(C)cc34)cc2)cc1S(=O)(=O)N1CCN(C)CC1,HXLFZTKXNQHKPB-UHFFFAOYSA-N
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-rxn:4:202807:222582,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2cccc(C(=O)NCCN3CCOCC3)c2)cc1,UZUYNJQNXNDEPF-UHFFFAOYSA-N
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-rxn:4:202807:224481,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2ccc(OCCCN3CCCC3)cc2)cc1,OCUOKJKAJWQSHN-UHFFFAOYSA-N
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-rxn:4:203312:222584,O=[N+]([O-])c1cc(-c2ccc(OCCCN3CCNCC3)c(F)c2)cnc1OC1CCOC1,UIEDUIAGFVREDM-UHFFFAOYSA-N
-rxn:4:203313:222584,O=[N+]([O-])c1cncc(-c2ccc(OCCCN3CCNCC3)c(F)c2)c1OC1CCOC1,UROICSKDOVUEIW-UHFFFAOYSA-N
-rxn:4:203461:222546,O=[N+]([O-])c1cncc(-c2ccc(OCCNC3CCCCC3)c(F)c2)c1OC1CCCC1,OXLHYRUMILVJDE-UHFFFAOYSA-N
-rxn:4:203540:223559,COC(=O)c1c(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)c(-c2ccc(Cl)cc2)nn1C,NOVSNYVDLBVBRF-UHFFFAOYSA-N
-rxn:4:203564:224022,COC(=O)c1cnn(C2CCCCO2)c1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1,RWDMUXNDFUOVCT-UHFFFAOYSA-N
-rxn:4:203809:223671,CC1CCCCN1C(=O)Cc1cncc(-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)c1,KSQWZTIRXAPJJD-UHFFFAOYSA-N
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-rxn:4:203884:223839,COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1ccc(CS(=O)(=O)N2CCN(C)CC2)cc1,FFJAJROOFVTCKF-UHFFFAOYSA-N
-rxn:4:203889:224590,COC(=O)c1ccc(-c2ccc(CN3CCC(C)CC3)cc2F)cc1N1CCN(C)CC1,SUMUYDJBYSAYTB-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:4:204014:222702,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3cc(C4CCCNC4)ccc3C(F)(F)F)c2)CC1,DGKBNHWDUYKSNM-UHFFFAOYSA-N
-rxn:4:204023:223594,CC(C)N1CCN(Cc2c(F)cc(-c3cc(Cl)cc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)cc2F)CC1,YMHFVGUFBPEZAD-UHFFFAOYSA-N
-rxn:4:204109:223280,O=C1COCC(=O)N1C1CCN(S(=O)(=O)c2ccccc2-c2cnc(C3CCNC3)nc2)CC1,RHNDCBJUFIPKCA-UHFFFAOYSA-N
-rxn:4:204114:227658,CN(C)c1cc(Cl)c(-c2ccc(C(=O)N3CCCN(C4CCSCC4)CC3)o2)cc1F,MFNGVVVONCKNMH-UHFFFAOYSA-N
-rxn:4:204115:223167,O=S(=O)(c1ccccc1-c1ccnc(N2CCNCC2)c1)N1CCCN(C2CCC2)CC1,VFJYDFSWDIRTJK-UHFFFAOYSA-N
-rxn:4:204115:224376,CN1CCN(S(=O)(=O)c2cccc(-c3ccccc3S(=O)(=O)N3CCCN(C4CCC4)CC3)c2)CC1,QGDNEZVWHKLKEO-UHFFFAOYSA-N
-rxn:4:204115:224648,CC(C)(C)[Si](C)(C)Oc1ccc(-c2ccccc2S(=O)(=O)N2CCCN(C3CCC3)CC2)c(Cl)c1,LKEDRLCOQLBYLI-UHFFFAOYSA-N
-rxn:4:204115:226180,Cc1cc(-c2ccccc2S(=O)(=O)N2CCCN(C3CCC3)CC2)cc(C2CCCC2)n1,ZBCKERZAYYKZIH-UHFFFAOYSA-N
-rxn:4:204158:224752,Cc1ccc(N2CCN(S(=O)(=O)c3cc(C)c(-c4ccc(S(=O)(=O)N5CCCC5)cc4C)cc3Cl)CC2)cc1,XCMONQUJAYAPGY-UHFFFAOYSA-N
-rxn:4:204180:224752,Cc1ccc(N2CCN(S(=O)(=O)c3cc(-c4ccc(S(=O)(=O)N5CCCC5)cc4C)c(C)cc3C)CC2)c(C)c1,FWVDYWLEJKWFOY-UHFFFAOYSA-N
-rxn:4:204183:222700,Cc1ccc(N2CCN(S(=O)(=O)c3cc(C)c(C)cc3-c3ccc(C(F)(F)F)cc3C3CCCNC3)CC2)c(C)c1,NBXUKHYGWUYMRL-UHFFFAOYSA-N
-rxn:4:204511:224371,COC(=O)C1CCN(c2ncc(-c3ccc4c(n3)CCN4C(=O)OC(C)(C)C)cn2)CC1,WVQSOFCFWRFYMF-UHFFFAOYSA-N
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-rxn:4:204595:223576,CC(C)(C)OC(=O)N1CCc2nc(-c3cccc(OC4CCN(C(=O)OC(C)(C)C)CC4)c3)sc2CC1,XTOBHRLOLJSFQI-UHFFFAOYSA-N
-rxn:4:204599:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2ccnc3c2CCN(C(=O)OC(C)(C)C)C3)cc1,UIJZXWBGDXNVBP-UHFFFAOYSA-N
-rxn:4:204604:224361,CCN(CC)S(=O)(=O)c1cc(-c2cnc3c(c2)CCN(C(=O)OC(C)(C)C)C3)ccc1OC,AEFPTSGTEZOWPV-UHFFFAOYSA-N
-rxn:4:204681:224818,CC(C)(C)OC(=O)N1CC(C)(C)c2ccc(-c3ccc(S(=O)(=O)N4CCSCC4)cc3)nc21,XNAYANKEKSZRHX-UHFFFAOYSA-N
-rxn:4:204700:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1ccc(C(=O)N2CC(N3C(=O)C4CC=CCC4C3=O)C2)o1,ZNJPVDYBGQNWLQ-UHFFFAOYSA-N
-rxn:4:204722:223557,CC(C)C(=O)N=C1SC2CS(=O)(=O)CC2N1c1cccc(-c2c(F)ccc3c2ccn3[Si](C(C)C)(C(C)C)C(C)C)c1,GHXDZIYLEJJZKT-UHFFFAOYSA-N
-rxn:4:204740:224719,CCN1C(=O)C(=C2SC(=S)N(CC(C)C)C2=O)c2cc(-c3cn(C(=O)OC(C)(C)C)nc3C(C)C)ccc21,UWDWRXPCXBSBSZ-UHFFFAOYSA-N
-rxn:4:204846:226891,Cc1ccc(C)c(N2C(=O)N(Cc3ccc(-c4cc(C(F)(F)F)cc(F)c4F)cc3F)C3CS(=O)(=O)CC32)c1,KVXKXSRSHNNBNR-UHFFFAOYSA-N
-rxn:4:204944:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2ccc3c(c2)C2CC(c4ccco4)=NN2C(c2ccc(C(C)C)cc2)O3)cc1,PKOMYZZLCSFSFP-UHFFFAOYSA-N
-rxn:4:206434:223650,CC(C)(C)OC(=O)N1CCN(c2ccccc2-c2cnc(Cl)cc2C(=O)N2CCOCC2)CC1,KCCYTCWCFCFOTE-UHFFFAOYSA-N
-rxn:4:206444:222584,O=C(c1ncc(-c2ccc(OCCCN3CCNCC3)c(F)c2)cc1Cl)N1CCOCC1,GVLKZNFRXYJNKF-UHFFFAOYSA-N
-rxn:4:206449:223787,CN1CCN(CCCOc2ccc(-c3cnc(C(=O)N4CCOCC4)c(F)c3)cc2F)CC1,PMAFNFQCRNLTDI-UHFFFAOYSA-N
-rxn:4:206484:223830,CCN1CCN(S(=O)(=O)c2cc(-c3csc(N(C)C4CCOCC4)n3)ccc2C)CC1,DNDMXCHZKXMVKZ-UHFFFAOYSA-N
-rxn:4:206484:223845,CN1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2csc(N(C)C3CCOCC3)n2)CC1,KXSWJEJRNDRHOI-UHFFFAOYSA-N
-rxn:4:206644:223992,Cc1ccc(-c2cc(C#N)ccc2N2CCC(F)(F)CC2)cc1S(=O)(=O)N1CCN(C)CC1,JDMNIFFZWCHROY-UHFFFAOYSA-N
-rxn:4:206697:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3cnc(C4CCCN(S(C)(=O)=O)C4)s3)c2)CC1,VDLIJKGPMHBLCU-UHFFFAOYSA-N
-rxn:4:206948:224404,CC1CCN(S(=O)(=O)c2cccc(-c3ccc(S(=O)(=O)N4CCOCC4)c(F)c3)n2)CC1,GVHSDMSKPBSTNZ-UHFFFAOYSA-N
-rxn:4:206995:223699,CC(C)c1cc(C2CCOCC2)nc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2C(F)(F)F)n1,JDTPYPCEZYQLJD-UHFFFAOYSA-N
-rxn:4:207011:222628,c1cc(N2CCN(C3COC3)CC2)ccc1-c1cc(C2CCC2)nc(C2CCCNC2)c1,UWEZEJFEGDTPNH-UHFFFAOYSA-N
-rxn:4:207067:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3nc(C4CCOCC4)cc(C(C)(C)C)n3)c2)CC1,SKLXEKOBQIZAGS-UHFFFAOYSA-N
-rxn:4:207426:223838,CCn1ncc(-c2ccc(N3CCN(S(=O)(=O)N(C)C)CC3)cc2)c1C12CCCC1O2,YXDXDHFXLONNOH-UHFFFAOYSA-N
-rxn:4:207460:223838,CCn1ncc(-c2ccc(N3CCN(S(=O)(=O)N(C)C)CC3)cc2)c1C12CCCOC1O2,NAKIDZPSPIZCOS-UHFFFAOYSA-N
-rxn:4:207729:222606,Cc1cc(N2C=C(C#N)S(=O)(=O)c3ccccc32)ccc1-c1cccc(C(F)(F)F)c1C(=O)NC(C)(C)C,FONWJJHICYMUGG-UHFFFAOYSA-N
-rxn:4:207731:223568,Cc1cc(N2C=C(C#N)S(=O)(=O)c3ccc(F)cc32)ccc1-c1cnc2c(ccn2[Si](C(C)C)(C(C)C)C(C)C)c1Cl,CVUXXMHFRKCTLF-UHFFFAOYSA-N
-rxn:4:207779:222465,O=S(=O)(c1ccc(-c2cc(C3CCCCC3)nc(C3CCCNC3)c2)cc1)N1CCN2CCC1CC2,SQIXIXGNRMIAKO-UHFFFAOYSA-N
-rxn:4:207829:225344,CC(C)Oc1ncc(C(F)(F)F)cc1-c1ccc(N2C(=O)N(c3ccc(F)cc3)C3CS(=O)(=O)CC32)cc1,AVISKCJYRRRGDD-UHFFFAOYSA-N
-rxn:4:207847:223569,Cc1ccc(N2C(=O)N(c3cccc(-c4cnc5c(ccn5[Si](C(C)C)(C(C)C)C(C)C)c4F)c3)C3CS(=O)(=O)CC32)cc1,CQSWVLANMOGFKY-UHFFFAOYSA-N
-rxn:4:207854:222986,Cc1cc(-c2ccc3c(c2)CCN3C2CCN(C3CCC3)CC2)cc(C2CCCNC2)n1,YDFUBIREABJYDI-UHFFFAOYSA-N
-rxn:4:207854:224165,Cc1ccc2c(cnn2C2CCCCO2)c1-c1ccc2c(c1)CCN2C1CCN(C2CCC2)CC1,XMPKUVMVLGQZOI-UHFFFAOYSA-N
-rxn:4:207959:223131,Cc1ccc(C2=NN3C(C2)c2cc(-c4ccc(N5CCNCC5)cc4)ccc2OC3C2CCCCC2)cc1,MOFFNLXDHUDXMF-UHFFFAOYSA-N
-rxn:4:207959:227610,Cc1ccc(C2=NN3C(C2)c2cc(-c4ccn(C5CCCCO5)n4)ccc2OC3C2CCCCC2)cc1,HCIBAWYJVGOMQO-UHFFFAOYSA-N
-rxn:4:209720:223679,CCN1CCN(S(=O)(=O)c2c(C)cc(-c3cnc(C4CCN(C)CC4)s3)cc2C)CC1,UELZKVBVRAQWRC-UHFFFAOYSA-N
-rxn:4:210691:223812,Cn1ncc(-c2cc(F)cc(CN3CCC4(CC3)OCCO4)c2)c1C12CCCSC1O2,HCQDHSWYMAUEIP-UHFFFAOYSA-N
-rxn:4:210970:223941,Cn1ncc(-c2ccc3c(c2)CC(=O)N3C(=O)OC(C)(C)C)c1C12CC(C)(C)CC1O2,HVWGGCRMSWZQBN-UHFFFAOYSA-N
-rxn:4:211068:224309,CC(C)(C)[Si](C)(C)Oc1ccc(Cl)c(-c2ccc3c(c2)N2CCCC2=C(C#N)S3(=O)=O)c1F,SLKKKUKUDCDGQL-UHFFFAOYSA-N
-rxn:4:212532:222651,O=C(NC1CCCCC1)c1ccc(F)c(-c2cnn(CC3CN(C(=O)c4cccc(OC(F)(F)F)c4)C3)c2)c1,UKSUMWLSSRKWAE-UHFFFAOYSA-N
-rxn:4:212532:225341,CCOc1ccc(OC(F)(F)F)c(-c2cnn(CC3CN(C(=O)c4cccc(OC(F)(F)F)c4)C3)c2)c1,GRQCZWMMOZZTCW-UHFFFAOYSA-N
-rxn:4:212587:223842,CCOc1ccc(S(=O)(=O)N2CC(Cn3cc(-c4cc(F)c(F)cc4S(=O)(=O)N4CCC(C)CC4)cn3)C2)cc1,MCOUCYSPXGEMJS-UHFFFAOYSA-N
-rxn:4:212593:222638,CC(NC(=O)OC(C)(C)C)c1cccc(-c2ccc(C(=O)N(C)C3CN(C(=O)OC(C)(C)C)C3)cn2)c1,OAFULNJNFLAYAF-UHFFFAOYSA-N
-rxn:4:212609:223589,Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1nccn1CC1CCN(C(=O)OCc2ccccc2)CC1,OAKYUQOJGIIEJJ-UHFFFAOYSA-N
-rxn:4:212630:225274,COCCOc1c(F)cc(-c2cncc(C(=O)N3CCCC(COc4ncccc4C(F)(F)F)C3)c2)c(C)c1F,QHHNGXNFPKQLEZ-UHFFFAOYSA-N
-rxn:4:212631:225182,O=C(c1cncc(-c2ccnc(OC3CCCCC3)c2Cl)c1)N1CCC(COc2ncccc2C(F)(F)F)CC1,FNFWNCSKNKPVSU-UHFFFAOYSA-N
-rxn:4:212648:228129,COc1cc(C#N)ccc1-c1cn(C)nc1OCC1CCN(C(=O)OC(C)(C)C)CC1,BPFCXTYGORMWJN-UHFFFAOYSA-N
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-rxn:4:212653:222791,COC(=O)c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)c(-c2cc(NC(=O)OC(C)(C)C)ccc2Cl)n1,ZSKWQTUHKIJCGE-UHFFFAOYSA-N
-rxn:4:212653:228549,CCCc1ccc(-c2nc(C(=O)OC)ccc2N2CCN(C(=O)OC(C)(C)C)CC2)cn1,KSCNXRTUHUKGRW-UHFFFAOYSA-N
-rxn:4:212680:225754,COC(=O)c1cc(-c2cc(F)ccc2CC(=O)N2CCC(COc3ccc(C)nn3)CC2)c(C2CC2)cn1,IMNSKNVDARGULV-UHFFFAOYSA-N
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-rxn:4:212722:222957,Cc1ccc(S(=O)(=O)N(Cc2ccc(-c3cc(C)cc(C4CCCNC4)c3)cc2)C(=O)N2CCN(C)CC2)cc1,GFBDPDYQLJBPQJ-UHFFFAOYSA-N
-rxn:4:212722:226177,Cc1ccc(S(=O)(=O)N(Cc2ccc(-c3ccnc(C4CCCCC4)c3)cc2)C(=O)N2CCN(C)CC2)cc1,IMFDPEUIWNZVJL-UHFFFAOYSA-N
-rxn:4:212730:222741,COc1ccc(-c2noc(C3CCCN(S(=O)(=O)c4ccc(-c5cc(C6CC6)nc(C6CCCNC6)c5)cc4)C3)n2)c(OC)c1,MPPJEZMUJDHOQP-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:4:212823:222920,COc1ccc(S(=O)(=O)N2CCN(C(=O)Cn3ccc4cc(-c5ccc(S(=O)(=O)NC6CC6)cc5C)ccc43)CC2)cc1,FIHLWTSZYOADLZ-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:4:212914:223872,CCN(C(=O)c1cccc(-c2cncc(C(=O)N3CC(Oc4ccnc(C(F)(F)F)c4)C3)c2)c1)C1CCCCC1,QQMGTNPCUBTHOO-UHFFFAOYSA-N
-rxn:4:212923:222912,CC(C)CNS(=O)(=O)c1ccc(-c2ccc(C3(C#N)CN(C(=O)OC(C)(C)C)C3)nc2)cc1,IYGGIAVXRCMUKO-UHFFFAOYSA-N
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-rxn:4:212974:223972,CC1CCCCN1c1ccc(-c2ccc(OC3CCN(C(=O)Cc4cccnc4)C3)nc2)c(C(F)(F)F)c1,AMXWFHAHWKVBBM-UHFFFAOYSA-N
-rxn:4:212984:223972,CC1CCCCN1c1ccc(-c2cnccc2OC2CCN(C(=O)c3ccc(C(F)(F)F)nc3)C2)c(C(F)(F)F)c1,NLLURYRMKMDBAN-UHFFFAOYSA-N
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-rxn:4:213010:223669,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnn(C[C@@H]4CN(C(=O)OC(C)(C)C)CCO4)c3)cn2)CC1,GFQNNJUQNDHQGS-QFIPXVFZSA-N
-rxn:4:213041:223577,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3cnc(OC4CCN(C(=O)OC(C)(C)C)CC4)cn3)cc2)CC1,OIMIIHJDXITICC-UHFFFAOYSA-N
-rxn:4:213045:223945,O=C(C1CCC1)N1CCCC(COc2ncc(-c3ccc(OCCCN4CCOCC4)c(F)c3)cn2)C1,KTFYDVJIFPJODF-UHFFFAOYSA-N
-rxn:4:213058:223872,CCN(C(=O)c1cccc(-c2cnc(OC3CCCN(C(=O)Cc4ccc(F)cc4)C3)nc2)c1)C1CCCCC1,YVIZYVHARNDKGP-UHFFFAOYSA-N
-rxn:4:213062:225335,CCOc1cc(OC(F)(F)F)ccc1-c1cnc(OC2CCN(C(=O)Cc3ccc(F)cc3F)CC2)nc1,LTMIVRMIFYSCLB-UHFFFAOYSA-N
-rxn:4:213081:225975,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccnc(N4CCOCC4)c3Cl)cc2C#N)CC1,BTTSTUXHHPVYMV-UHFFFAOYSA-N
-rxn:4:213097:223499,CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(-c3ccc(C4(C#N)CCN(C(=O)OC(C)(C)C)CC4)nc3)ccc2Cl)CC1,LVKIXCHQZDLKPW-UHFFFAOYSA-N
-rxn:4:213112:224155,Cc1ccc(OCC2CCN(S(=O)(=O)c3ccccc3-c3cc(C4CC4)cc(N4CCN(C)CC4)c3)C2)nn1,IRRVNIPMXYRFKN-UHFFFAOYSA-N
-rxn:4:213123:223158,CCNC(=O)c1ccc(-c2ccccc2CC(=O)N2CCN(c3ccnc(C(F)(F)F)c3)C(=O)C2)cc1F,KTKXGVBJBCQMTQ-UHFFFAOYSA-N
-rxn:4:213123:224286,O=C(Cc1ccccc1-c1ccc(OCCN2CCOCC2)c(Cl)c1)N1CCN(c2ccnc(C(F)(F)F)c2)C(=O)C1,ABXZEZARCHWYIZ-UHFFFAOYSA-N
-rxn:4:213126:223529,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)c(F)c3)nc2)CC1,HZXHTCOARXWSBH-UHFFFAOYSA-N
-rxn:4:213126:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)cn3)cc21,QFACUGGVPOATAT-UHFFFAOYSA-N
-rxn:4:213130:225636,CC1CCN(c2cc(-c3cncc(CN4CCN(C(=O)OC(C)(C)C)CC4)c3)ccn2)CC1,FBOVUCYMYNMRLK-UHFFFAOYSA-N
-rxn:4:213130:225671,CC(C)(C)OC(=O)N1CCN(Cc2cncc(-c3cc(C4CCCCC4)ncc3F)c2)CC1,YOAXJIAZWSEXGL-UHFFFAOYSA-N
-rxn:4:213130:225975,CC(C)(C)OC(=O)N1CCN(Cc2cncc(-c3ccnc(N4CCOCC4)c3Cl)c2)CC1,ITZDHNBKAGTBJW-UHFFFAOYSA-N
-rxn:4:213131:223684,CC(C)(C)C(=O)N1CCC(COc2ncc(-c3cc(OCc4cccnc4)ccc3OC(F)(F)F)cn2)CC1,OVYPBGCMXHHMEI-UHFFFAOYSA-N
-rxn:4:213138:225975,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3ccnc(N4CCOCC4)c3Cl)cnc2F)CC1,KDEWVIHFPYTDJU-UHFFFAOYSA-N
-rxn:4:213147:223175,CCS(=O)(=O)Nc1cccc(-c2cncc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)c1,GIUUNYYMPFOVNV-UHFFFAOYSA-N
-rxn:4:213150:224761,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(-c3cccc(S(=O)(=O)N4CCCCC4)c3)cn2)CC1,XPFBCOHZRFKLOZ-UHFFFAOYSA-N
-rxn:4:213160:222622,CCC(C)c1cc(-c2cnc(OC3CCN(S(=O)(=O)c4ccccc4OC)CC3)nc2)cc(C2CCCNC2)n1,JNGMLFZMSBIVMJ-UHFFFAOYSA-N
-rxn:4:213162:223069,CCCS(=O)(=O)Nc1cccc(-c2cnc(OC3CCN(S(=O)(=O)c4ccc(OC)c(F)c4)CC3)nc2)c1,MLVJLFPYUBAMTJ-UHFFFAOYSA-N
-rxn:4:213162:225223,COc1ccc(S(=O)(=O)N2CCC(Oc3ncc(-c4cnc(N5CCC(C)CC5)cc4F)cn3)CC2)cc1F,SITWTFVAKVEYSX-UHFFFAOYSA-N
-rxn:4:213179:224306,Cc1ccc(OCC2CCN(C(=O)c3cccc(-c4ccc(C(F)(F)F)cc4OC4CCCC4)c3)CC2)nn1,QRXHDZHQYPRNQI-UHFFFAOYSA-N
-rxn:4:213180:224672,CCN1CCN(c2ccc(-c3cnc(OCC4CCN(C(=O)c5cc(C)oc5C)CC4)nc3)c(Cl)c2)CC1,CIHQJZYGUGFGPA-UHFFFAOYSA-N
-rxn:4:213202:224569,Cc1ccc(OCC2CCN(S(=O)(=O)c3ccccc3-c3cc(F)cc(OCC4CCCCC4)c3)CC2)nn1,UUIAXCAPUAVBDT-UHFFFAOYSA-N
-rxn:4:213203:222723,Cc1ccc(OCC2CCN(S(=O)(=O)c3ccc(-c4cccc(NS(=O)(=O)N5CCOCC5)c4)cc3)CC2)nn1,OLBHAVIKWDEKSH-UHFFFAOYSA-N
-rxn:4:213226:223603,CC(C)(C)OC(=O)N1CCC[C@H]1c1ncc(-c2cccc(-c3cc(OCc4cccnc4)c(OC(F)(F)F)cc3Cl)c2)[nH]1,NDELZMDHSCOYBZ-VWLOTQADSA-N
-rxn:4:213226:223918,CN(C(=O)c1ccc(F)c(-c2cccc(-c3cnc([C@@H]4CCCN4C(=O)OC(C)(C)C)[nH]3)c2)c1)C1CCCCC1,HPBSUOIWENVJSM-NDEPHWFRSA-N
-rxn:4:213228:224272,CC1CN(S(=O)(=O)c2cncc(-c3cc4ccncc4n3C(=O)OC(C)(C)C)c2)CCN1C(=O)OC(C)(C)C,FEZBWLNZOREFNX-UHFFFAOYSA-N
-rxn:4:213251:223480,Cc1cc(-c2cc(S(=O)(=O)N3CCCCC3)cnc2N(C)Cc2ccccc2)cc(C)c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,GZULMTUJDVTJMV-UHFFFAOYSA-N
-rxn:4:213279:224773,Cc1ccc(S(=O)(=O)N2N=C(c3ccc(-c4ccc(S(=O)(=O)N5CCCC5)c(C)c4)cc3)CC2c2cccc([N+](=O)[O-])c2)cc1,DZMTXNVKWFWLHA-UHFFFAOYSA-N
-rxn:4:213363:224258,COc1ccc2sc(OC3CCN(C(=O)c4cncc(-c5ccc(C(=O)N6CCCCC6C)cc5Cl)c4)CC3)nc2c1,PGQOKZXPPNYWME-UHFFFAOYSA-N
-rxn:4:213387:225227,CC1CCN(c2ncc(-c3ccc4c(c3)ncn4CC3CCN(C(=O)OC(C)(C)C)CC3)cc2Cl)CC1,IZRKEUMJYWUWTC-UHFFFAOYSA-N
-rxn:4:213396:224970,CC(C)(C)[Si](C)(C)Sc1ccc(-c2ccc3c(ccn3CC(=O)N3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)c2)cc1,ODELYHGXBAOTRS-UHFFFAOYSA-N
-rxn:4:213626:223596,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)ccc2-c2cnn(C3CN(C(=O)OC(C)(C)C)C3)c2)CC1,FAEPGCUMMDPCHS-UHFFFAOYSA-N
-rxn:4:213660:224834,CCOC(=O)N1CCN(c2ccc(-c3cn(S(=O)(=O)N(C)C)nc3C(F)(F)F)cn2)CC1,WQEPHXHRQVMREM-UHFFFAOYSA-N
-rxn:4:213713:222791,CC(C)(C)OC(=O)Nc1ccc(Cl)c(-c2cnc([C@@H]3CCCN3C(=O)OC(C)(C)C)[nH]2)c1,PWTOVFHIUTYCNK-SFHVURJKSA-N
-rxn:4:213713:223788,CC(C)(C)OC(=O)N1CC(Oc2ccc(-c3cnc([C@@H]4CCCN4C(=O)OC(C)(C)C)[nH]3)cc2)C1,DAYBGIAHNYWRQP-NRFANRHFSA-N
-rxn:4:213713:223880,Cc1ccc2c(c1)cc(-c1cnc([C@@H]3CCCN3C(=O)OC(C)(C)C)[nH]1)n2C(=O)OC(C)(C)C,GXNXZJJQZDLYMV-FQEVSTJZSA-N
-rxn:4:213755:223941,CC(C)(C)OC(=O)N1CCN(c2nc(-c3ccc4c(c3)CC(=O)N4C(=O)OC(C)(C)C)cs2)CC1,MBFKFXVQFKWIDM-UHFFFAOYSA-N
-rxn:4:213778:223980,CCN1CCN(c2ccc(-c3cccc(S(=O)(=O)N4CCN(CC)CC4)c3)c(C(=O)OC)n2)CC1,RDOZKYIXVUQXJU-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:4:213800:225984,CC(C)(C)OC(=O)N1CCOCC1c1cc(-c2cnc(Cl)c(N3CCOCC3)c2)ncn1,LMHBPKKVKWKYTO-UHFFFAOYSA-N
-rxn:4:213802:225827,CN1CCN(c2cc(-c3cccnc3OC3CCN(S(=O)(=O)N(C)C)CC3)ccn2)CC1,VBENMYJEQMYTSR-UHFFFAOYSA-N
-rxn:4:213874:225979,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cnc(N4CCOCC4)c(Cl)c3)ccn2)CC1,PMHWYDKPPIVXIZ-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:4:213875:224356,CC(C)(C)OC(=O)N1CCN(c2cccc(-c3cc4sc(Cl)cc4n3C(=O)OC(C)(C)C)n2)CC1,ZGSHGTORGHQWPU-UHFFFAOYSA-N
-rxn:4:213880:223935,CC(C)(C)OC(=O)N1CCN(c2cnccc2-c2cc3cccc(F)c3n2C(=O)OC(C)(C)C)CC1,DPWIRWZKMDLYBT-UHFFFAOYSA-N
-rxn:4:213883:223084,Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)sc1-c1cnc(N2CCC(O)CC2)nc1,HPIVXCHKLDMEHC-UHFFFAOYSA-N
-rxn:4:213883:225105,CCN(CC)C(=O)c1ccc(-c2sc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2C)cc1F,AJXVBEXSDOJRAK-UHFFFAOYSA-N
-rxn:4:213888:223634,CCN(Cc1ccccc1)C(=O)c1cc(-c2cncc(C3CCCN(C(=O)OC(C)(C)C)C3)n2)ccc1F,JPGKEAOYANFRIQ-UHFFFAOYSA-N
-rxn:4:213888:226716,CC(C)(C)OC(=O)N1CCCC(c2cncc(-c3ccn(C(=O)OC(C)(C)C)n3)n2)C1,TVQNZMHCSPGELY-UHFFFAOYSA-N
-rxn:4:213889:223493,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1cc(C2CCCN(C(=O)OC(C)(C)C)C2)ncn1,OFQKAVDWTDSCCX-UHFFFAOYSA-N
-rxn:4:213893:225898,CC(C)(C)OC(=O)N1CCN(c2cncc(-c3cnn(CCN4CCOCC4)c3)c2)CC1,BNXDMFNJTNDXTL-UHFFFAOYSA-N
-rxn:4:213901:223659,CC(C)(C)OC(=O)N1CCC(Cn2cc(-c3ccc(Cl)nc3N3CCN(C(=O)OC(C)(C)C)CC3)cn2)CC1,ZOTVRENBMFZQBU-UHFFFAOYSA-N
-rxn:4:213904:223581,COC(=O)c1cccc2cc(-c3cncc(C(=O)N4CCN(Cc5ccccc5)CC4)c3)n(C(=O)OC(C)(C)C)c12,QTQPAAORLZLZQT-UHFFFAOYSA-N
-rxn:4:213971:225313,CN1CCN(c2ccc(-c3cc(C(F)(F)F)cnc3N3CCOC(C(=O)N4CCOCC4)C3)c(F)n2)CC1,PHKIISFRIPNKKC-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:4:213990:223581,COC(=O)c1cccc2cc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)nc3C)n(C(=O)OC(C)(C)C)c12,YEUDMBCCOUANSY-UHFFFAOYSA-N
-rxn:4:213990:226511,Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1-c1cc(Cl)cnc1OCC1CC1,BKQHBGLETVHNGJ-UHFFFAOYSA-N
-rxn:4:214014:225272,CCOC(=O)C(F)(F)c1ccc(-c2cncc(C(=O)N3CCCSCC3CN3CCCC3)c2)cc1,RJRDOMHRNPXGBK-UHFFFAOYSA-N
-rxn:4:214014:225286,CC(C)(C)OC(=O)c1cnc(F)cc1-c1cncc(C(=O)N2CCCSCC2CN2CCCC2)c1,YPHCNJYTTHYQTK-UHFFFAOYSA-N
-rxn:4:214014:225766,CCCOc1c(F)cc(-c2cncc(C(=O)N3CCCSCC3CN3CCCC3)c2)c(C)c1F,ZEMQSFSDHQWYEO-UHFFFAOYSA-N
-rxn:4:214033:224488,CC(C)[C@H]1COC(c2cc(-c3ccc(C(=O)N(C(C)C)C(C)C)cc3)cc(C3=N[C@@H](C(C)C)CO3)n2)=N1,TWBIZKXQVRQGCK-KAYWLYCHSA-N
-rxn:4:214059:223562,CC(C)(C)OC(=O)N1CCC(Cc2ccc(-c3ccc(N4CCC5(CC4)CN(C(=O)OC(C)(C)C)C5)nc3)cc2)CC1,HQTIDBUXZGRTKT-UHFFFAOYSA-N
-rxn:4:214059:223595,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc(N4CCC5(CC4)CN(C(=O)OC(C)(C)C)C5)nc3)cc2F)CC1,XZNXWDCLLMBQSA-UHFFFAOYSA-N
-rxn:4:214059:223932,CC(C)(C)OC(=O)N1CC2(CCN(c3ccc(-c4cc5c(Cl)cccc5n4C(=O)OC(C)(C)C)cn3)CC2)C1,AFTBKYOPKIRGSK-UHFFFAOYSA-N
-rxn:4:214062:224746,CCN1CCN(Cc2ccc(-c3ccc(N4CCN(C(C)=O)CC4)nc3)cc2N2CCOCC2)CC1,DAPMSELMNWBVSK-UHFFFAOYSA-N
-rxn:4:214065:226488,Cc1nn(C(=O)c2ccc(-c3ccc(OCCCF)c(F)c3)cc2)c(C)c1S(=O)(=O)N1CCC(C)CC1,MOWHQGALLCXBDL-UHFFFAOYSA-N
-rxn:4:214083:222729,CCCc1cc(-c2ccccc2-c2noc(C3CCN(S(=O)(=O)c4ccc(C)c(C)c4)CC3)n2)cc(C2CCCNC2)n1,YFPDJXKUYYYIRK-UHFFFAOYSA-N
-rxn:4:214180:223650,CC(C)(C)OC(=O)N1CCN(c2ccccc2-c2ccc3cc(C4CN(C(=O)OC(C)(C)C)C4)nn3c2)CC1,FMAQJPPZABXODF-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:4:214212:223901,CC1CCN(CCOc2ccc(-c3ccc(C(=O)N4CCN(C(=O)c5cc6ccccc6[nH]5)CC4)o3)cc2Cl)CC1,HDXHTSMGIUQCIF-UHFFFAOYSA-N
-rxn:4:214220:223946,CCN(C(=O)OC(C)(C)C)c1ccc(-c2ccc3[nH]c(C4CCCN4C(=O)OC(C)(C)C)nc3c2)c(Cl)c1,ZKKZISKNDLSXIF-UHFFFAOYSA-N
-rxn:4:214231:225984,CC(C)(C)OC(=O)N1CCOC(c2cn3c(-c4cnc(Cl)c(N5CCOCC5)c4)cccc3n2)C1,GTVIEQUBCUHPTL-UHFFFAOYSA-N
-rxn:4:214255:223582,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:4:214347:222788,Cn1c(=NC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)sc2cc(-c3ccc(NC(=O)OC(C)(C)C)cc3F)ccc21,AUEKUDHQKWJBJM-UHFFFAOYSA-N
-rxn:4:214347:222988,Cc1cc(-c2ccc3c(c2)sc(=NC(=O)c2ccc(S(=O)(=O)N4CCCCC4)cc2)n3C)cc(C2CCNCC2)n1,TZJKDYRINGEQMB-UHFFFAOYSA-N
-rxn:4:214347:223540,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1ccc2c(c1)sc(=NC(=O)c1ccc(S(=O)(=O)N3CCCCC3)cc1)n2C,MHSUGPNPVPATTG-UHFFFAOYSA-N
-rxn:4:214360:224486,CC1CC(C)CN(S(=O)(=O)c2ccc(C(=O)N=c3sc4cc(-c5cccc(C(=O)N(C(C)C)C(C)C)c5)ccc4n3C)cc2)C1,AXZLAVXVZRUFBS-UHFFFAOYSA-N
-rxn:4:214630:223813,O=C(c1[nH]nc(C2CC2)c1-c1ccc(CN2CCC3(CC2)OCCO3)c(F)c1)N1CCOCC1,ZQYOQEAAKWSISP-UHFFFAOYSA-N
-rxn:4:214646:223997,Cc1cc(-c2nccc(OCC3CCN(C)CC3)n2)cc(C)c1S(=O)(=O)N1CCOCC1,HIEAEKRMYIEPOC-UHFFFAOYSA-N
-rxn:4:214696:224377,CN1CCN(S(=O)(=O)c2ccc(-c3cnn(CC4CN(C5CCCC5)C4)c3)cc2)CC1,KGPQUJVQDYHQOG-UHFFFAOYSA-N
-rxn:4:214697:224376,CN1CCN(S(=O)(=O)c2cccc(-c3cnn(C4CCN(CC5CC5)CC4)c3)c2)CC1,FSYZEHIELQBHRX-UHFFFAOYSA-N
-rxn:4:214749:223523,CCN1CCN(S(=O)(=O)c2ccc(-c3cnc(OC4CCN(C5CCC5)CC4)nc3)c3ccccc23)CC1,WKPSIDOUNGAQCP-UHFFFAOYSA-N
-rxn:4:214792:222722,COC(C)c1ncc(N2CCN(C)CC2)cc1-c1cccc(S(=O)(=O)N2CCC(O)CC2)c1,ZOFYTGCGJURFIS-UHFFFAOYSA-N
-rxn:4:214819:226232,CN(C)CCOc1cccc(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCCC3)C2)c1,OLRVTIXEKLYRGS-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:4:214835:227464,CCCCSc1ncc(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCOCC3)C2)cn1,PXUOZAGJIXXLJL-UHFFFAOYSA-N
-rxn:4:214836:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cc(Cl)cnc3N3CCOC(C(=O)N4CCSCC4)C3)ccn2)CC1,OTJVIDZOSQQVLV-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:4:214837:226236,CCCCOc1ncc(C)cc1-c1cnc(N2CCOC(C(=O)N3CCSCC3)C2)c(Cl)c1,UFWOTYYVUUPRSG-UHFFFAOYSA-N
-rxn:4:214852:222981,O=C(c1cncc(-c2ccnc(NC3CCCCC3)c2)c1)N1CCC(N2CCCC2)CC1,QEQZAOHOHHZNFM-UHFFFAOYSA-N
-rxn:4:214859:224326,Cc1cc(-c2ccc(S(=O)(=O)N3CCCC(c4ccn(C)n4)C3)cc2)ccc1S(=O)(=O)N1CCCCC1,YPQWPCGXVQOOBO-UHFFFAOYSA-N
-rxn:4:214870:225879,O=C(C1CCCN(c2ncc(Cl)cc2-c2ccc(N3CCOCC3)cc2F)C1)N1CCOCC1,KQJJIIUGVQFVOJ-UHFFFAOYSA-N
-rxn:4:214870:226259,CCCCOc1ccc(-c2cc(Cl)cnc2N2CCCC(C(=O)N3CCOCC3)C2)cc1Cl,ZJFKIMIANJPCAY-UHFFFAOYSA-N
-rxn:4:214872:226554,CCCOc1cc(F)c(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCCCC3)C2)cc1F,CWIPCAVCYWYAMG-UHFFFAOYSA-N
-rxn:4:214875:224672,CCN1CCN(c2ccc(-c3cnc(N4CCCC(C(=O)N5CCSCC5)C4)c(F)c3)c(Cl)c2)CC1,XVTCFOZVDPFYLS-UHFFFAOYSA-N
-rxn:4:214875:226554,CCCOc1cc(F)c(-c2cnc(N3CCCC(C(=O)N4CCSCC4)C3)c(F)c2)cc1F,NUBFUYORHKPUQN-UHFFFAOYSA-N
-rxn:4:214880:225093,CCCOc1c(Cl)cc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)c(C)c2)cc1OCC,MNNKLQNBDJPVHC-UHFFFAOYSA-N
-rxn:4:214890:224775,O=C(c1cncc(-c2cnc(C(F)(F)F)c(C3CCCC3)c2)c1)N1CCCN(C2CCSCC2)CC1,FRGSUVLSNMVISP-UHFFFAOYSA-N
-rxn:4:215027:223582,COC(=O)c1ccc2cc(-c3cnn4c3N(C(=O)OC(C)(C)C)CC4)n(C(=O)OC(C)(C)C)c2c1,MCRGCOVRYUECBA-UHFFFAOYSA-N
-rxn:4:215060:224614,CN(C(=O)OC(C)(C)C)c1ccc(-c2ncn3c2CN(C(=O)OC(C)(C)C)CC3)cc1,MCPPFDBXTFVEKO-UHFFFAOYSA-N
-rxn:4:215104:224614,CN(C(=O)OC(C)(C)C)c1ccc(-c2ncn3c2CCN(C(=O)OC(C)(C)C)CC3)cc1,BDLOAIXCXORMDB-UHFFFAOYSA-N
-rxn:4:215183:223886,CC(C)(C)OC(=O)N1CCc2c(cccc2-c2cncc(C(=O)N3CC(N4CCc5ccccc5C4)C3)c2)C1,SCYJTMPMVYKMFT-UHFFFAOYSA-N
-rxn:4:215216:224672,CCN1CCN(c2ccc(-c3ccc4nc(N5CCCC(C(=O)N6CCOCC6)C5)sc4c3)c(Cl)c2)CC1,SLBPALLPOBXTLS-UHFFFAOYSA-N
-rxn:4:215216:226255,CCCCOc1ccc(Cl)cc1-c1ccc2nc(N3CCCC(C(=O)N4CCOCC4)C3)sc2c1,XZAAINFSGAUZMK-UHFFFAOYSA-N
-rxn:4:215232:224770,Cc1cc(-c2ccc3ccc(N4CCCC(C(=O)N5CCOCC5)C4)nc3c2)cc(S(=O)(=O)N2CCCC2)c1,LSNKCKBNEOFNAQ-UHFFFAOYSA-N
-rxn:4:215820:223838,CN1CCC(Oc2ccc(-c3ccc(N4CCN(S(=O)(=O)N(C)C)CC4)cc3)nn2)CC1,CVYPKVURBLBBLB-UHFFFAOYSA-N
-rxn:4:215838:223830,CCN1CCN(S(=O)(=O)c2cc(-c3cnn(CC4CCCN(C)C4)c3)ccc2C)CC1,SOBIUFPFULLJBP-UHFFFAOYSA-N
-rxn:4:215838:223838,CN1CCCC(Cn2cc(-c3ccc(N4CCN(S(=O)(=O)N(C)C)CC4)cc3)cn2)C1,LMTAQUHNJULVMA-UHFFFAOYSA-N
-rxn:4:215966:223844,CC1CCN(c2cc(C3CC3)nc(-c3ccc(S(=O)(=O)N4CCCC4)cc3C(F)(F)F)n2)CC1,GDEKDOUBIOBJFT-UHFFFAOYSA-N
-rxn:4:215983:224089,Cc1cc(N2CCN(C(C)C)CC2)ncc1-c1ccc(OCCN2CCC(C)CC2)cc1,DUAKKPZYHZPWKC-UHFFFAOYSA-N
-rxn:4:216267:224502,CN1CCCCC1COc1cccc(-c2c(C(=O)N3CCCC4CCCCC43)cnn2C)c1,YRALWDGWEVWROU-UHFFFAOYSA-N
-rxn:4:216342:223748,Cc1ccc(C2=NN3C(C2)c2cc(-c4cc(N5CCCCC5)cc(N5CCCCC5)c4)ccc2OC3c2cccnc2)cc1,ATNVREKRRUVMLY-UHFFFAOYSA-N
-rxn:4:217202:223945,Cc1cc(-c2ccc(OCCCN3CCOCC3)c(F)c2)cnc1N1CCN(C)C(=O)C1,PJQQBSACOPCPIW-UHFFFAOYSA-N
-rxn:4:217857:223998,CC1CCN(S(=O)(=O)c2ccc(-c3cnn(C)c3C34CCN(C)CC3O4)cc2F)CC1,XBFODYXRKDGBRX-UHFFFAOYSA-N
-rxn:4:218567:226068,Cc1cc(C(C)(C)C)cc(C)c1-c1cnc(N(C)CC2CN(C(=O)OC(C)(C)C)C2)cn1,AZHULHUTPZVCRH-UHFFFAOYSA-N
-rxn:4:218578:223491,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cnn(C4(CC#N)CCN(C(=O)OC(C)(C)C)CC4)c3)cc(C(F)(F)F)c2)CC1,NVWCQMJLXBEEFL-UHFFFAOYSA-N
-rxn:4:218578:223501,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3cnn(C4(CC#N)CCN(C(=O)OC(C)(C)C)CC4)c3)cc2Cl)CC1,FMXBAHCAFJEHTI-UHFFFAOYSA-N
-rxn:4:218578:223670,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2cnn(C3(CC#N)CCN(C(=O)OC(C)(C)C)CC3)c2)CC1,RWZZKBWUDYXEPI-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:4:218588:225312,CN1CCCN(c2ncc(-c3cnc(OCC4CCN(S(=O)(=O)c5ccccc5C#N)CC4)nc3)cn2)CC1,OLCAVCZZPSJVSV-UHFFFAOYSA-N
-rxn:4:218588:225947,CN1CCN(c2ncc(-c3cnc(OCC4CCN(S(=O)(=O)c5ccccc5C#N)CC4)nc3)cn2)CC1,QNHFPIRPLTZYPD-UHFFFAOYSA-N
-rxn:4:218590:225312,CN1CCCN(c2ncc(-c3cnc(OCC4CCCN(S(=O)(=O)c5ccccc5C#N)C4)nc3)cn2)CC1,GWAFSOWYHIIDBQ-UHFFFAOYSA-N
-rxn:4:218590:225947,CN1CCN(c2ncc(-c3cnc(OCC4CCCN(S(=O)(=O)c5ccccc5C#N)C4)nc3)cn2)CC1,DSUIADJBVOBRDH-UHFFFAOYSA-N
-rxn:4:218600:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3cnn(CCN4CCN(C(=O)OC(C)(C)C)CC4)c3)cc21,JBXHHYUKGLIFPO-UHFFFAOYSA-N
-rxn:4:218606:223812,COc1ncccc1C(=O)N1CCCC(COc2ncc(-c3cc(F)cc(CN4CCC5(CC4)OCCO5)c3)cn2)C1,KJPRJNKIRRDPRL-UHFFFAOYSA-N
-rxn:4:218652:225758,CN(CC1CCN(C(=O)OC(C)(C)C)CC1)c1cnc(-c2ccncc2C(=O)OC(C)(C)C)cn1,OBANLOZCXYCNPG-UHFFFAOYSA-N
-rxn:4:218682:224393,CC(=O)N1CCC(C(=O)N2CCCC(COc3ncc(-c4cc(C(F)(F)F)ccc4N4CCOCC4)cn3)C2)CC1,UWNZLXKDENHTAJ-UHFFFAOYSA-N
-rxn:4:218704:222928,Cc1cc(Cl)ccc1OCC(=O)N1CCCN(c2cc(-c3ccc(-c4cnc(N5CCC(O)CC5)nc4C)cc3)n[nH]2)CC1,NPWGRNNZCDYJIY-UHFFFAOYSA-N
-rxn:4:218704:223499,Cc1cc(Cl)ccc1OCC(=O)N1CCCN(c2cc(-c3ccc(-c4ccc(Cl)c(C(=O)N5CCN(C(=O)OC(C)(C)C)CC5)c4)cc3)n[nH]2)CC1,ZDGXOADMIDCCFR-UHFFFAOYSA-N
-rxn:4:218704:223521,Cc1cc(Cl)ccc1OCC(=O)N1CCCN(c2cc(-c3ccc(-c4cccc(C(C)N5CCN(C(=O)OC(C)(C)C)CC5)c4)cc3)n[nH]2)CC1,ZULUMUQMKAURHZ-UHFFFAOYSA-N
-rxn:4:218711:223652,COc1ccc(Cl)c2cc(-c3cc([N+](=O)[O-])ccc3N3CCC(N4CCN(C(=O)OC(C)(C)C)CC4)CC3)n(C(=O)OC(C)(C)C)c12,GRGXFYCKECXOPO-UHFFFAOYSA-N
-rxn:4:218711:224276,CC(C)(C)OC(=O)N1CCN(C2CCN(c3ccc([N+](=O)[O-])cc3-c3cn(C(=O)OC(C)(C)C)c4cccnc34)CC2)CC1,LMSOXOXXQKUTLV-UHFFFAOYSA-N
-rxn:4:218714:223057,Cc1cc(C)c(S(=O)(=O)N2CCN(C(=O)CCn3nc(C)c(-c4cc(Cl)nc(C5CCCNC5)c4)c3C)CC2)c(C)c1,HMOUIPBWLAZYMM-UHFFFAOYSA-N
-rxn:4:218768:223529,COc1ccc(CCC(=O)N2Cc3cnc(N4CCOCC4)nc3C2)cc1-c1ccc(CN2CCN(C(=O)OC(C)(C)C)CC2)c(F)c1,IMLUPCWPBYDYSX-UHFFFAOYSA-N
-rxn:4:218769:228005,CSc1cc(C)c(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCCC4)CC3)c2)cc1C,NXXWTHVCGNASCY-UHFFFAOYSA-N
-rxn:4:218778:223576,Cc1cc(Cn2c(N3CC4(CN(C(=O)OC(C)(C)C)C4)C3)nc3c(-c4cccc(OC5CCN(C(=O)OC(C)(C)C)CC5)c4)cc(Cl)cc32)cc(C)c1F,MDDQNOCSOCOFQT-UHFFFAOYSA-N
-rxn:4:218778:224160,Cc1cc(Cn2c(N3CC4(CN(C(=O)OC(C)(C)C)C4)C3)nc3c(-c4ccc5c(c4)CCN5C(=O)OC(C)(C)C)cc(Cl)cc32)cc(C)c1F,OLRSFEXGIMTAGE-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:4:218881:223812,O=C(c1ccncc1)N1CCCC(COc2ncc(-c3cc(F)cc(CN4CCC5(CC4)OCCO5)c3)cn2)C1,ISOTWIWAJYSSNX-UHFFFAOYSA-N
-rxn:4:218974:224761,Cc1cc(OCC2CCN(c3ncc(-c4cccc(S(=O)(=O)N5CCCCC5)c4)cc3C#N)CC2)ccn1,PPEVBHJDPUGLDM-UHFFFAOYSA-N
-rxn:4:219011:223904,CN(c1cnc(-c2cccc(C3CN(C(=O)OC(C)(C)C)C3)c2)cn1)C1CCN(C(=O)OC(C)(C)C)CC1,FNYSLCYUNQPKQG-UHFFFAOYSA-N
-rxn:4:219046:224592,N#CC1(c2ccc(F)c(-c3cnc(OCC4CCCN(C5CCN(C6CC6)C5=O)C4)nc3)c2)CCCCC1,ALOCCNGGFPGHOC-UHFFFAOYSA-N
-rxn:4:219071:222466,Cc1ccc(-c2cc(C(=O)N3CCN(S(=O)(=O)c4ccc(-c5cc(C6CCCCC6)nc(C6CCNCC6)c5)cc4)CC3)n[nH]2)cc1,GVLRTAIDNBGVJJ-UHFFFAOYSA-N
-rxn:4:219108:223994,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1ccc(OC2CCN(C(=O)Cn3cnc4ccccc43)C2)nc1,NLRUOHQSEMJMBD-UHFFFAOYSA-N
-rxn:4:219155:225806,Cc1cnc(OCC23CCCC2CN(C(=O)c2cncc(-c4cnc(OC5CCCC5)cc4F)c2)C3)nc1,MRTHVUWUKNTNQH-UHFFFAOYSA-N
-rxn:4:219243:222810,CC(C)(C)OC(=O)Nc1cc(-c2ncn(C3CN(C(=O)OC(C)(C)C)C3)n2)c(Cl)cn1,BWMLFOBBCPWEAG-UHFFFAOYSA-N
-rxn:4:219243:223500,CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(-c3ncn(C4CN(C(=O)OC(C)(C)C)C4)n3)ccc2F)CC1,CJHWEBOPURKXIY-UHFFFAOYSA-N
-rxn:4:219243:224179,CN1CCN(CCOc2ccc(-c3ncn(C4CN(C(=O)OC(C)(C)C)C4)n3)cc2)CC1,VMAYMOVIGCDZGU-UHFFFAOYSA-N
-rxn:4:219353:224155,CN1CCN(c2cc(-c3cnc(OC4CCN(S(=O)(=O)N(C)C)CC4)nc3)cc(C3CC3)c2)CC1,WOWLUALFNYQCJN-UHFFFAOYSA-N
-rxn:4:219353:224973,CN1CCN(Cc2cccc(-c3cnc(OC4CCN(S(=O)(=O)N(C)C)CC4)nc3)c2)CC1,LPJSLPYQBFMOJI-UHFFFAOYSA-N
-rxn:4:219353:225454,CN1CC=C(c2ccc(-c3cnc(OC4CCN(S(=O)(=O)N(C)C)CC4)nc3)cc2)CC1,XQNFPTJDHGPSGD-UHFFFAOYSA-N
-rxn:4:219353:225465,CN1CCC(c2cccc(-c3cnc(OC4CCN(S(=O)(=O)N(C)C)CC4)nc3)c2)CC1,SEEAGMWSZQHHDR-UHFFFAOYSA-N
-rxn:4:219353:225632,CN1CCN(c2cccc(-c3cnc(OC4CCN(S(=O)(=O)N(C)C)CC4)nc3)c2)CC1,SRTJVURKVFMHRR-UHFFFAOYSA-N
-rxn:4:219353:225827,CN1CCN(c2cc(-c3cnc(OC4CCN(S(=O)(=O)N(C)C)CC4)nc3)ccn2)CC1,AKDPJZMQLFMGTC-UHFFFAOYSA-N
-rxn:4:219371:223638,CC(C)(C)OC(=O)N1CCC(n2cnnc2-c2cccc(C3CCCN(C(=O)OC(C)(C)C)C3)c2)CC1,KKCZBDYEFNKXGI-UHFFFAOYSA-N
-rxn:4:219384:223660,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cnc(N4CCC(COc5ccncc5Cl)CC4)nc3)s2)CC1,PLQIWRKRXJPISY-UHFFFAOYSA-N
-rxn:4:219403:224248,CC1CCN(C(=O)c2ccc(-c3cnn(CC4CN(C5CCN(C6CC6)C5=O)C4)c3)cc2Cl)CC1,LANDXNAHMAFELY-UHFFFAOYSA-N
-rxn:4:219410:227284,N#Cc1cc(-c2cnc(OC3CCN(S(=O)(=O)N4CCOCC4)C3)nc2)c(C2CC2)cn1,RMRYLQDOEHDLPP-UHFFFAOYSA-N
-rxn:4:219410:227291,CN(C)Cc1ccc(-c2cnc(OC3CCN(S(=O)(=O)N4CCOCC4)C3)nc2)cc1F,VJENJBSMMWDSJH-UHFFFAOYSA-N
-rxn:4:219410:227298,CN(C)Cc1ccc(F)cc1-c1cnc(OC2CCN(S(=O)(=O)N3CCOCC3)C2)nc1,VYHKJXPJFLPFDA-UHFFFAOYSA-N
-rxn:4:219410:227299,CN(C)Cc1cc(F)cc(-c2cnc(OC3CCN(S(=O)(=O)N4CCOCC4)C3)nc2)c1,XJXYEMLHWUQQSY-UHFFFAOYSA-N
-rxn:4:219410:227301,CN(C)Cc1cc(F)ccc1-c1cnc(OC2CCN(S(=O)(=O)N3CCOCC3)C2)nc1,VGHUAGYXOQGFON-UHFFFAOYSA-N
-rxn:4:219410:227303,CN(C)Cc1cccc(-c2cnc(OC3CCN(S(=O)(=O)N4CCOCC4)C3)nc2)c1F,DSWYJXDTEUKJTA-UHFFFAOYSA-N
-rxn:4:219410:227308,CN(C)Cc1ccc(Cl)cc1-c1cnc(OC2CCN(S(=O)(=O)N3CCOCC3)C2)nc1,OXHYXJPGTPRIPO-UHFFFAOYSA-N
-rxn:4:219410:227658,CN(C)c1cc(Cl)c(-c2cnc(OC3CCN(S(=O)(=O)N4CCOCC4)C3)nc2)cc1F,WHEZLYGDIAHOSI-UHFFFAOYSA-N
-rxn:4:219410:227777,O=[N+]([O-])c1cc(F)c(F)cc1-c1cnc(OC2CCN(S(=O)(=O)N3CCOCC3)C2)nc1,GYFHXPKHZVWNGB-UHFFFAOYSA-N
-rxn:4:219410:228293,CN(C)CCn1cc(-c2cnc(OC3CCN(S(=O)(=O)N4CCOCC4)C3)nc2)cn1,DARMNWYWKDMTGQ-UHFFFAOYSA-N
-rxn:4:219414:225975,N#Cc1cc(-c2ccnc(N3CCOCC3)c2Cl)cnc1N1CCOC(C(=O)N2CCCC2)C1,HXVIVAUUZXDINI-UHFFFAOYSA-N
-rxn:4:219414:227500,CCN(C)c1ncc(-c2cnc(N3CCOC(C(=O)N4CCCC4)C3)c(C#N)c2)cc1Cl,PAGANQBCIMMDHN-UHFFFAOYSA-N
-rxn:4:219439:222629,CC(C)(C)c1cc(-c2cccc(CN3CCN(c4nccc(C(F)(F)F)n4)CC3)c2)cc(C2CCCNC2)n1,PIRFSVGIYQBDAY-UHFFFAOYSA-N
-rxn:4:219439:224326,Cc1cc(-c2cccc(CN3CCN(c4nccc(C(F)(F)F)n4)CC3)c2)ccc1S(=O)(=O)N1CCCCC1,SBCKIOJBQMLPDE-UHFFFAOYSA-N
-rxn:4:219457:223669,CC1CN(C(=O)OC(C)(C)C)CCC1n1cc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2)nn1,ZZLPEXPHLBNLLK-UHFFFAOYSA-N
-rxn:4:219462:227489,CN(C)c1ncc(-c2cnc(OC3CCCN(S(=O)(=O)N4CCCC4)C3)nc2)cc1C#N,MXYWIBUWFDRUKS-UHFFFAOYSA-N
-rxn:4:219462:227500,CCN(C)c1ncc(-c2cnc(OC3CCCN(S(=O)(=O)N4CCCC4)C3)nc2)cc1Cl,GYKPPDIVTUOCEO-UHFFFAOYSA-N
-rxn:4:219462:227779,O=[N+]([O-])c1cc(F)c(F)c(-c2cnc(OC3CCCN(S(=O)(=O)N4CCCC4)C3)nc2)c1,RTVGHBLFYLOWLO-UHFFFAOYSA-N
-rxn:4:219464:223532,Cc1cccnc1OCC1CCN(c2ncc(-c3cc(F)cc(CN4CCN(C(=O)OC(C)(C)C)CC4)c3)cn2)CC1,SBLZMGYWJIQJNX-UHFFFAOYSA-N
-rxn:4:219488:224272,C[C@H]1CN(C(=O)OC(C)(C)C)CCN1c1ncc(-c2cc3ccncc3n2C(=O)OC(C)(C)C)cn1,MISIZUGYFVROTM-KRWDZBQOSA-N
-rxn:4:219495:223508,O=S(=O)(c1ccc(Cl)cc1)N1CCN(c2ccc(-c3cnccc3OC3CCN(c4cc(C5CCC5)ncn4)C3)cn2)CC1,YMXCRNQYIRELQD-UHFFFAOYSA-N
-rxn:4:219499:227495,CCN(C)c1cc(-c2cnc(N3CCCC(C(=O)N4CCOCC4)C3)c(C#N)c2)c(F)cn1,VFTVYXDQCKTXMI-UHFFFAOYSA-N
-rxn:4:219501:227500,CCN(C)c1ncc(-c2cnc(SC)nc2N2CCOC(C(=O)N3CCOCC3)C2)cc1Cl,YKIIHVORDDNSIY-UHFFFAOYSA-N
-rxn:4:219515:228096,CC(C)(C)OC(=O)N1CCC2(CC1)CN(c1nnc(-c3ccc(OCCF)cc3)s1)C2,VPWQIKDZGBCYJR-UHFFFAOYSA-N
-rxn:4:219522:224686,Cc1cc(OC2CCN(C(=O)c3cncc(-c4ccc(C(=O)N5CCCCC5)cc4F)c3)CC2)nc(C)n1,SGNYHAFDSZNOMX-UHFFFAOYSA-N
-rxn:4:219543:223999,Cc1cc(C)c(C#N)c(N2CCN(S(=O)(=O)c3ccc(-c4cc(S(=O)(=O)N5CCC(C)CC5)ccc4F)cc3)CC2)n1,YTLOUDVGLRIWCC-UHFFFAOYSA-N
-rxn:4:219549:223812,O=C(c1cccc(-c2cc(F)cc(CN3CCC4(CC3)OCCO4)c2)c1)N1CCN(c2cc(-c3ccc(F)cc3)n[nH]2)CC1,CIRYDFJYJMATRW-UHFFFAOYSA-N
-rxn:4:219560:223135,Cc1nc(S(=O)(=O)N2CCCN(C(=O)c3ccccc3-c3cccnc3C3CCCNC3)CC2)cn1C,ORLGWOWVJBEMDI-UHFFFAOYSA-N
-rxn:4:219560:225210,Cc1nc(N2CCC(C)CC2)ncc1-c1ccccc1C(=O)N1CCCN(S(=O)(=O)c2cn(C)c(C)n2)CC1,ZOLUYBWWHPVVPO-UHFFFAOYSA-N
-rxn:4:219653:225978,CC(C)(C)OC(=O)N1CCN(c2nc3ccc(-c4ccc(N5CCOCC5)nc4F)nc3s2)CC1,OZAXDXFXDKOSNS-UHFFFAOYSA-N
-rxn:4:219687:223652,COc1ccc(Cl)c2cc(-c3ccc4nnn(C5CCN(C(=O)OC(C)(C)C)CC5)c4c3)n(C(=O)OC(C)(C)C)c12,CNZINCYXKBMWKH-UHFFFAOYSA-N
-rxn:4:219687:226714,CC(C)(C)OC(=O)N1CCC(n2nnc3ccc(-c4ccnn4C(=O)OC(C)(C)C)cc32)CC1,BAURYLSJLLWCNC-UHFFFAOYSA-N
-rxn:4:219689:223065,CC(C)(C)OC(=O)N1CCN(c2ccc3ncc(-c4ccc(N5CCNCC5)cc4F)n3c2)CC1,TUMZVAVTQYHBLB-UHFFFAOYSA-N
-rxn:4:219690:224718,CC(C)(C)OC(=O)N1CCC(n2nnc3cc(F)c(-c4ccc(OCCN5CCOCC5)nc4)cc32)CC1,QAFDHYYBODDVLO-UHFFFAOYSA-N
-rxn:4:219692:224176,CC(C)(C)OC(=O)N1CCC(n2cc(-c3ccc(OCCSC4CCOCC4)cc3)c3cnc(Cl)nc32)CC1,GZTRRRYMTKWSFX-UHFFFAOYSA-N
-rxn:4:219692:225901,Cc1nn(C(=O)OC(C)(C)C)cc1-c1cn(C2CCN(C(=O)OC(C)(C)C)CC2)c2nc(Cl)ncc12,CYBCJOIMKCQFET-UHFFFAOYSA-N
-rxn:4:219704:225883,CC(C)(C)OC(=O)N1CCN(c2cnc3ccc(-c4cnc(C5CCOCC5)c(Cl)c4)cc3n2)CC1,ZNGHEJICWZQEQE-UHFFFAOYSA-N
-rxn:4:219704:225975,CC(C)(C)OC(=O)N1CCN(c2cnc3ccc(-c4ccnc(N5CCOCC5)c4Cl)cc3n2)CC1,JWLBMGVABRUSMY-UHFFFAOYSA-N
-rxn:4:219742:223790,CC(C)(C)OC(=O)N1CCCC1c1cncc(-c2cncc(C(=O)N3CCC(Cn4nc5c(cc4=O)CCC5)CC3)c2)c1,JUAIFVWXFUOAEF-UHFFFAOYSA-N
-rxn:4:219766:225548,CCOC(=O)c1ccc(CC)cc1-c1cncc(C(=O)N2CCC(Cn3nc4c(cc3=O)CCCC4)CC2)c1,UJFHADFSQPQCAC-UHFFFAOYSA-N
-rxn:4:219880:222538,CSc1ncc(-c2cc(C3CCCC3)nc(C3CCNCC3)c2)c(N2CCN(S(C)(=O)=O)CC2)n1,WVTZHYAFUNURNM-UHFFFAOYSA-N
-rxn:4:219904:224848,CC[C@H]1CC[C@H](c2ccc(-c3cnc(C4CCN(S(=O)(=O)N(C)C)CC4)cn3)cc2)CC1,VCBRGLGYQGJNOX-MXVIHJGJSA-N
-rxn:4:219934:222786,CC(C)(C)OC(=O)Nc1cc(F)cc(-c2cnc(N3CCOC(C(=O)N4CCCC4)C3)nc2)c1,MSXLMDSWQZCHPF-UHFFFAOYSA-N
-rxn:4:219959:222933,CC(C)(C)OC(=O)Nc1ncc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)nc2)cn1,IGUFIKNPAIDKBY-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:4:219991:226719,CCOC(=O)c1cnc(Cl)c(-c2cncc(C(=O)N3CCC(N4CC(=O)N(C)C4=O)CC3)c2)c1,PRSZYWRNLJKENQ-UHFFFAOYSA-N
-rxn:4:219991:227521,COC(=O)c1cnc(C)c(-c2cncc(C(=O)N3CCC(N4CC(=O)N(C)C4=O)CC3)c2)c1,XJKYBKIMTUFJHL-UHFFFAOYSA-N
-rxn:4:220040:224561,Cc1c(O[Si](C)(C)C(C)(C)C)cccc1-c1nc2n(n1)CCN(C(=O)OC(C)(C)C)C2,VKRDGUOWPZJQAU-UHFFFAOYSA-N
-rxn:4:220040:224651,CC(C)(C)OC(=O)N1CCn2nc(-c3c(F)cccc3O[Si](C)(C)C(C)(C)C)nc2C1,NYDWRJFKXKGPIR-UHFFFAOYSA-N
-rxn:4:220136:225294,CCN1CCN(c2ncc(-c3ccc4ncnc(N5CCN(S(=O)(=O)C6CC6)CC5)c4c3)cn2)CC1,AXVDIFVOUZTORV-UHFFFAOYSA-N
-rxn:4:220137:223679,CCN1CCN(S(=O)(=O)c2c(C)cc(-c3ccc4nc(N5CCN(S(=O)(=O)C6CC6)CC5)ncc4c3)cc2C)CC1,OTQMITQAYMMQOQ-UHFFFAOYSA-N
-rxn:4:220137:225294,CCN1CCN(c2ncc(-c3ccc4nc(N5CCN(S(=O)(=O)C6CC6)CC5)ncc4c3)cn2)CC1,KAIKXJBMLWOROZ-UHFFFAOYSA-N
-rxn:4:220209:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3ccccc3S(=O)(=O)N3CCCc4cnc(N5CCOCC5)nc43)cc2)CC1,ZFKKTUJFQXWZNI-UHFFFAOYSA-N
-rxn:4:220222:225172,Cc1ccc(-c2cc(CN3CCOCC3)ccc2F)cc1C(=O)N1CCN(c2cc3c(nn2)CCC3)CC1,WWTPFMHKDGVJGW-UHFFFAOYSA-N
-rxn:4:220413:223814,CN(C)C1CCN(c2ncc(-c3ccc(CN4CCC5(CC4)OCCO5)cc3F)cn2)CC1,NWXKNHKHGGPXNH-UHFFFAOYSA-N
-rxn:4:220413:223838,CN(C)C1CCN(c2ncc(-c3ccc(N4CCN(S(=O)(=O)N(C)C)CC4)cc3)cn2)CC1,UQZFKJMPPZNXEN-UHFFFAOYSA-N
-rxn:4:220414:224379,Cc1c(-c2ccccc2S(=O)(=O)N2CCN(C)CC2)cnc(N2CCN(C)CC2)c1[N+](=O)[O-],IEPATQKVUVGXAK-UHFFFAOYSA-N
-rxn:4:220415:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3cnc(N4CCN(C5CCC5)CC4)nc3)c2)CC1,PWVMEOHCNORKQO-UHFFFAOYSA-N
-rxn:4:220415:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCN(C5CCC5)CC4)nc3)cc2)CC1,OTCGZTUIJFMDMC-UHFFFAOYSA-N
-rxn:4:220429:223523,CCN1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCCN(C5CCOC5)CC4)nc3)c3ccccc23)CC1,DEZQUALJFGHCKX-UHFFFAOYSA-N
-rxn:4:220430:223523,CCN1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCCN(C5CCSC5)CC4)nc3)c3ccccc23)CC1,ABJVTIQCBPUGFG-UHFFFAOYSA-N
-rxn:4:220491:223945,CC(C)(C)C(=O)N1CCn2nc(-c3ccc(OCCCN4CCOCC4)c(F)c3)nc2C1,CSQNJHLCFOVHOD-UHFFFAOYSA-N
-rxn:4:220533:224377,CN1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CC(N5CC6CCCC6C5)C4)nc3)cc2)CC1,GZLUKWUYCLOYLA-UHFFFAOYSA-N
-rxn:4:220533:224379,CN1CCN(S(=O)(=O)c2ccccc2-c2cnc(N3CC(N4CC5CCCC5C4)C3)nc2)CC1,PPRLGIPFMDXSPM-UHFFFAOYSA-N
-rxn:4:220537:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc4nc(N5CCN(C6CCC6)CC5)ncc4c3)c(F)cc2C)CC1,ZGHCAXFJNMQLPW-UHFFFAOYSA-N
-rxn:4:220537:224379,CN1CCN(S(=O)(=O)c2ccccc2-c2ccc3nc(N4CCN(C5CCC5)CC4)ncc3c2)CC1,PCADTRZPSHJBKA-UHFFFAOYSA-N
-rxn:4:220545:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCC(N5CCc6sccc6C5)CC4)nc3)cc2)CC1,JQAGYWNPNIFXGY-UHFFFAOYSA-N
-rxn:4:220545:224376,CN1CCN(S(=O)(=O)c2cccc(-c3cnc(N4CCC(N5CCc6sccc6C5)CC4)nc3)c2)CC1,PPRJGMKCACYXNF-UHFFFAOYSA-N
-rxn:4:220545:224377,CN1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCC(N5CCc6sccc6C5)CC4)nc3)cc2)CC1,CQCNQGUDBYQGKG-UHFFFAOYSA-N
-rxn:4:220936:223527,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)ccc2-c2cn3ccnc3c(N3CCOCC3)n2)CC1,GLRUXEYIIHFANB-UHFFFAOYSA-N
-rxn:4:221090:224189,CCOC(=O)c1cnc(N2CCCC2)nc1Cn1cc(-c2ccc(O[Si](C)(C)C(C)(C)C)c(OC)c2)cn1,DKYIGVPFEPWJAO-UHFFFAOYSA-N
-rxn:4:221106:224599,COc1nccnc1N(C)CC1CCN(C(=O)c2cncc(-c3cc(C(=O)C4CCCCC4)ccc3F)c2)CC1,AMZMPUNERGWEBC-UHFFFAOYSA-N
-rxn:4:221114:223480,CCOc1ccc(-c2cc(C)c(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c(C)c2)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N3CCCC3)n2)CC1,RCMOPWRFPMWHTN-UHFFFAOYSA-N
-rxn:4:221114:225210,CCOc1ccc(-c2cnc(N3CCC(C)CC3)nc2C)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N3CCCC3)n2)CC1,WRPRPMRMHIEFKL-UHFFFAOYSA-N
-rxn:4:221121:229322,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5sccc5Cl)ccc43)CC2)CC1,KPEIZHGOYWYQFD-UHFFFAOYSA-N
-rxn:4:221126:223032,CCCNC(=O)c1ccc(-c2ccc(S(=O)(=O)c3nnn4c3nc(N3CCCC(C(=O)OCC)C3)c3sccc34)cc2)c(F)c1,KKNPLNLWDYURKU-UHFFFAOYSA-N
-rxn:4:221153:222584,N#Cc1ccnc(OCC2CCCN(c3ncc(-c4ccc(OCCCN5CCNCC5)c(F)c4)cn3)C2)c1,DKFHBCFNTXCVFF-UHFFFAOYSA-N
-rxn:4:221175:222624,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4cc(CC(C)C)nc(C5CCNCC5)c4)cn3)C2)C(=O)C1=O,UNGJYXOORKSSAV-UHFFFAOYSA-N
-rxn:4:221181:225313,Cc1cc(C(=O)N2CCCC(COc3ncc(-c4ccc(N5CCN(C)CC5)nc4F)cn3)C2)nn1C,RSZZERFEDVHWPR-UHFFFAOYSA-N
-rxn:4:221190:222538,O=C(c1ccc(-c2cc(C3CCCC3)nc(C3CCNCC3)c2)o1)N1CCN(c2ccc(-c3noc(C4CC4)n3)cn2)CC1,HFFMXJQHHQZCMR-UHFFFAOYSA-N
-rxn:4:221204:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3ccc(CCN4CCN(c5nccc(N6CCOCC6)n5)CC4)cc3)c2Cl)CC1,KNHKPSZDAHGQFO-UHFFFAOYSA-N
-rxn:4:221205:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3ccc(CCN4CCN(c5ccnc(N6CCOCC6)n5)CC4)cc3)c2)CC1,MTRBYULFXZJJJM-UHFFFAOYSA-N
-rxn:4:221205:226825,Cc1cc(C(F)(F)F)c(Cl)cc1-c1ccc(CCN2CCN(c3ccnc(N4CCOCC4)n3)CC2)cc1,COKCQESEKVCWKM-UHFFFAOYSA-N
-rxn:4:221208:223058,Cc1cc(N2CCN(CCc3ccc(-c4cc(F)nc(C5CCCNC5)c4)cc3)CC2)nc(N2CCOCC2)n1,JBBYRTTXCNWQOZ-UHFFFAOYSA-N
-rxn:4:221270:225977,CCOCCn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3cc(Cl)cnc3N3CCOCC3)cc2)n(C)c1=O,YEWQKJXEOXYVRZ-UHFFFAOYSA-N
-rxn:4:221341:223743,Cc1ccc(-c2cnc(OCC3CCCN(c4cnccn4)C3)nc2)cc1OCCCN1CCC(C)CC1,YANRJAGHSMEJLQ-UHFFFAOYSA-N
-rxn:4:221345:223830,CCN1CCN(S(=O)(=O)c2cc(-c3cnc(OCC4CCN(c5ncc(Cl)cn5)CC4)nc3)ccc2C)CC1,XWXFPQSZHMUESK-UHFFFAOYSA-N
-rxn:4:221347:223830,CCN1CCN(S(=O)(=O)c2cc(-c3cnc(OCC4CCN(c5ncc(F)cn5)CC4)nc3)ccc2C)CC1,MUQOASAEVLKBMP-UHFFFAOYSA-N
-rxn:4:221352:222634,Fc1cc(-c2cnc(OC3CCN(c4nc(C5CC5)ns4)CC3)nc2)ccc1OCCNC1CCCC1,FIMHUWAVDFBJSD-UHFFFAOYSA-N
-rxn:4:221365:223694,CCN1CCN(S(=O)(=O)c2cc(-c3cnc(OCC4CCCN(c5nccnc5C)C4)nc3)c(F)cc2C)CC1,DLYHCXUJSSMHHZ-UHFFFAOYSA-N
-rxn:4:221370:222540,COc1cc(N2CCN(c3nc(SC)ncc3-c3cccc(C(=O)NCCN4CCCCC4)c3)CC2=O)ccn1,IIQQSUAQHXTVCK-UHFFFAOYSA-N
-rxn:4:221398:222584,CN1CCN(C(=O)N2CCC(Oc3ncc(-c4ccc(OCCCN5CCNCC5)c(F)c4)cn3)CC2)CC1,DXHFPNPTNRURLH-UHFFFAOYSA-N
-rxn:4:221404:222621,CC(C)Cc1cc(-c2cccc(CN3CCN(c4ccnc(N(C)C)n4)CC3)c2)cc(C2CCCNC2)n1,VFRVYTNDNNSLBX-UHFFFAOYSA-N
-rxn:4:221419:223670,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2cnc(N3CCC(Cn4nc(C(C)(C)C)ccc4=O)CC3)nc2)CC1,AZVXQKSIMXPHFM-UHFFFAOYSA-N
-rxn:4:221422:223058,O=C(c1cc(-c2cc(F)nc(C3CCCNC3)c2)ccc1Cl)N1CCN(c2ccc(N3CCOCC3)nn2)CC1,FQQDNAUKKRLFLE-UHFFFAOYSA-N
-rxn:4:221426:222967,CC(C)CNC(=O)c1cccc(-c2ccccc2CN2CCN(c3nccc(N4CCOCC4)n3)CC2)c1,OQQFKHJDTORVRR-UHFFFAOYSA-N
-rxn:4:221432:222741,Cc1cc(N2CCCC2)nc(N2CCN(C(=O)c3cccc(-c4cc(C5CC5)nc(C5CCCNC5)c4)c3)CC2)n1,UZLGILBTXWCHMB-UHFFFAOYSA-N
-rxn:4:221433:222721,Cc1cc(N2CCCC2)nc(N2CCN(C(=O)c3ccc(-c4cc(C5CCNCC5)nc(C(F)(F)F)c4)cc3)CC2)n1,AYNBBDBQQXAYHZ-UHFFFAOYSA-N
-rxn:4:221441:224752,Cc1cc(N2CCOCC2)nc(N2CCN(Cc3cccc(-c4ccc(S(=O)(=O)N5CCCC5)cc4C)c3)CC2)n1,AICZHQOUEDDTIV-UHFFFAOYSA-N
-rxn:4:221444:222773,Cc1cc(N2CCOCC2)nc(N2CCN(Cc3ccccc3-c3ccc(C(=O)NC4CCOCC4)cc3)CC2)n1,OMADABQIQHAARS-UHFFFAOYSA-N
-rxn:4:221446:222962,CCCCNC(=O)c1ccc(-c2ccc(CN3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)cc1,LNFIRDNVUBQLFH-UHFFFAOYSA-N
-rxn:4:221456:224243,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(F)cc(C(=O)N5CCCCC5C)c4)cc3)CC2)n1,ZNKRTJFLWJDZRB-UHFFFAOYSA-N
-rxn:4:221456:225327,CCCOc1ncc(C(F)(F)F)cc1-c1ccc(S(=O)(=O)N2CCN(c3nc(C)cc(N4CCCCC4)n3)CC2)cc1,VKVPGZQUOGPKLT-UHFFFAOYSA-N
-rxn:4:221498:223498,CC(C)(C)OC(=O)N1CCCN(C(=O)c2ccc(-c3c[nH]c4ncnc(N5CCN(C(=O)OC(C)(C)C)CC5)c34)cc2)CC1,KPCJKRWTWCYVHH-UHFFFAOYSA-N
-rxn:4:221499:222466,O=C(Cn1ccc2ccc(-c3cc(C4CCCCC4)nc(C4CCNCC4)c3)cc21)N1CCN(c2ncccn2)CC1,BQMKAHOLBQGFQY-UHFFFAOYSA-N
-rxn:4:221499:223637,CC(C)(C)OC(=O)N1CCCC(c2ccccc2-c2ccc3ccn(CC(=O)N4CCN(c5ncccn5)CC4)c3c2)C1,HITOOWIIEJOHNW-UHFFFAOYSA-N
-rxn:4:221528:222546,CC(C)c1sc(-c2ccc(OCCNC3CCCCC3)c(F)c2)nc1C(=O)N1CCN(c2nc3ccccc3n2C)CC1,QCTHPZJYQJSCDS-UHFFFAOYSA-N
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-rxn:4:221723:222723,O=c1cc2c(nn1CC1CCN(c3ncc(-c4cccc(NS(=O)(=O)N5CCOCC5)c4)cn3)CC1)CCC2,GOFOHWMOERYPIJ-UHFFFAOYSA-N
-rxn:4:221726:225613,CN(C1=NS(=O)(=O)c2ccccc21)C1CCN(c2ncc(-c3ccnc(OC4CCCCC4)c3)cn2)CC1,HZSAOHVEZSDZHM-UHFFFAOYSA-N
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-rxn:4:222054:224738,CN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(OCC6CC6)cc(C(F)(F)F)c5)o4)CC3)nn2)CC1,AYYVIKSYTLQGGP-UHFFFAOYSA-N
-rxn:4:222062:223294,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4csc(N5CCNCC5)n4)cc3)CC2)n1,QMCOUFGCHMDBBZ-UHFFFAOYSA-N
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-rxn:4:222062:226197,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C5CCCOC5)cc4)cc3)CC2)n1,BJKDJQORIXJWTP-UHFFFAOYSA-N
-rxn:4:222062:226612,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cnc(N5CCCCC5)nc4)cc3)CC2)n1,MBQNOXIKCQKXOW-UHFFFAOYSA-N
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-rxn:4:222123:223178,CONC(=O)c1ccc(F)c(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc7c(c6)CCC7)C(=O)C54)n3)cc2)c1,NMSKSKCGRYUSMG-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
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-rxn:4:222162:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCN(c5cc(C6CCC6)ncn5)CC4)nc3)cc2)CC1,BUKSYJGFHRHWAS-UHFFFAOYSA-N
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-rxn:4:222168:224379,CN1CCN(S(=O)(=O)c2ccccc2-c2cnc(N3CCN(c4cc(C5CCOCC5)ncn4)CC3)nc2)CC1,IZLYVEAJJQVJBR-UHFFFAOYSA-N
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-rxn:4:222192:224377,CN1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCN(c5nc(C6CC6)nc6c5CCC6)CC4)nc3)cc2)CC1,DSQKBIZAFYJIRZ-UHFFFAOYSA-N
-rxn:4:222192:224379,CN1CCN(S(=O)(=O)c2ccccc2-c2cnc(N3CCN(c4nc(C5CC5)nc5c4CCC5)CC3)nc2)CC1,UAZCCLYYCQSZBY-UHFFFAOYSA-N
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-rxn:4:222229:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3cnc(N4CCN(c5ncnc6c5CCCC6)CC4)nc3)c2)CC1,WHYMYBRXFQJGMA-UHFFFAOYSA-N
-rxn:4:222229:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCN(c5ncnc6c5CCCC6)CC4)nc3)cc2)CC1,RGNVEEOZFUNQAL-UHFFFAOYSA-N
-rxn:4:222229:223983,CCN1CCN(S(=O)(=O)c2ccccc2-c2cnc(N3CCN(c4ncnc5c4CCCC5)CC3)nc2)CC1,TUXIMWMECOZYSV-UHFFFAOYSA-N
-rxn:4:222259:223499,CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(-c3ccc(-c4noc(Cn5cnc6c(nnn6Cc6ccc(F)cc6)c5=O)n4)cc3)ccc2Cl)CC1,YOCMQZSKQNTDCA-UHFFFAOYSA-N
-rxn:4:222303:224011,CN1CCN(S(=O)(=O)c2ccc(-c3cnc(OCC4CCCN(c5ncnc6c5cnn6C)C4)nc3)cc2F)CC1,IGKASISWVRRLFX-UHFFFAOYSA-N
-rxn:4:222332:224376,CN1CCN(S(=O)(=O)c2cccc(-c3cnc(N4CCN(c5cc(N6CCOCC6)ncn5)CC4)nc3)c2)CC1,RHANJEWRCPCDKW-UHFFFAOYSA-N
-rxn:4:222336:223998,Cc1cc(C)n(-c2ccc(=O)n(C3CCN(c4ncc(-c5ccc(S(=O)(=O)N6CCC(C)CC6)c(F)c5)cn4)CC3)n2)n1,ODTIAZFHTQNYEI-UHFFFAOYSA-N
-rxn:4:222366:224321,CC1CCN(S(=O)(=O)c2cccc(-c3cnc(N(C)C4CN(c5ccc6nnc(C7CCC7)n6n5)C4)nc3)c2)CC1,AVVGKHQKHDJTOQ-UHFFFAOYSA-N
-rxn:4:222367:223845,CN1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2cnc(N3CCN(c4ncnc5c4ncn5CC4CCCO4)CC3)nc2)CC1,RVHBHOUSTKOPTP-UHFFFAOYSA-N
-rxn:4:222367:224376,CN1CCN(S(=O)(=O)c2cccc(-c3cnc(N4CCN(c5ncnc6c5ncn6CC5CCCO5)CC4)nc3)c2)CC1,ZXFBHUIKJSTLKJ-UHFFFAOYSA-N
-rxn:4:222367:224377,CN1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCN(c5ncnc6c5ncn6CC5CCCO5)CC4)nc3)cc2)CC1,YYFXMSRBBLSWIM-UHFFFAOYSA-N
-rxn:4:222367:224397,O=C1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCN(c5ncnc6c5ncn6CC5CCCO5)CC4)nc3)cc2)CC1,KYYDJVNIRXZKJK-UHFFFAOYSA-N
-rxn:4:222379:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCN(c5ncnc6c5ncn6C5CC5)CC4)nc3)cc2)CC1,OQTMOUQENWEUNU-UHFFFAOYSA-N
-rxn:4:222382:223689,CCN1CCN(S(=O)(=O)c2cc(-c3cnc(N4CCCN(c5ccc6nncn6n5)CC4)nc3)ccc2OC)CC1,PXNFWMYCQLUEOM-UHFFFAOYSA-N
-rxn:4:222520:185089,COc1cc(C(=O)N(C(C)C)C(C)C)ccc1-c1ccc(C(F)(F)F)c(NC(=O)OC(C)(C)C)c1,MQYBPQSIXQOSCP-UHFFFAOYSA-N
-rxn:4:222521:184553,COC(=O)C(C(=O)OC)c1ccc(-c2cc(NC(=O)OC(C)(C)C)cc(C(F)(F)F)c2)cn1,IDQPSNZEAWDVQQ-UHFFFAOYSA-N
-rxn:4:222521:189992,CN(C(C)(C)C)S(=O)(=O)c1ccc(-c2cc(NC(=O)OC(C)(C)C)cc(C(F)(F)F)c2)cc1,FQDXSMTWTHWOBF-UHFFFAOYSA-N
-rxn:4:222523:175933,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc(C3(C(=O)OC(C)(C)C)CC3)cc2)c(C(F)(F)F)c1,PEBBAUJRYYJSLU-UHFFFAOYSA-N
-rxn:4:222523:185443,CC(C)c1cc(-c2ccc(S(=O)(=O)NC(C)(C)C)cc2C(F)(F)F)cc(C(C)C)c1N=C(c1ccccc1)c1ccccc1,ITVFWYKYGHLDFW-UHFFFAOYSA-N
-rxn:4:222523:189866,CC(C)(C)NS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)cc(S(=O)(=O)N3CCCC3)c2)c(C(F)(F)F)c1,BRJBCGSECVYDIW-UHFFFAOYSA-N
-rxn:4:222523:204658,CCn1c(=NC(=O)C(C)(C)C)sc2cc(-c3ccc(S(=O)(=O)NC(C)(C)C)cc3C(F)(F)F)ccc21,XQJCICYAKNNDLU-UHFFFAOYSA-N
-rxn:4:222613:204513,CCCNS(=O)(=O)c1ccc(-c2cnc3c(c2)CCN3C(=O)OC(C)(C)C)c(C(F)(F)F)c1,IOKJADBGBIWEMJ-UHFFFAOYSA-N
-rxn:4:222680:174516,COc1c(NC(=O)OC(C)(C)C)cccc1-c1ccccc1O[Si](C(C)C)(C(C)C)C(C)C,YPIDDCHWMLXQJT-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:4:222810:174372,COC(=O)c1cc(-c2cc(NC(=O)OC(C)(C)C)ncc2Cl)ccc1S(=O)(=O)c1ccc(C(F)(F)F)cc1,LVUJUBKTILWNDK-UHFFFAOYSA-N
-rxn:4:222820:197876,CC(C)(C)NS(=O)(=O)c1ccc(-c2cc3c(cc2Cl)C(=O)N(C(C)(C)C)S3(=O)=O)cc1F,QGLMIBLMEINPGM-UHFFFAOYSA-N
-rxn:4:222821:175596,CC(C)(C)NS(=O)(=O)c1cc(-c2cc(C(=O)OC(C)(C)C)cc(C(F)(F)F)c2)ccc1F,LBFPILIKSDRAKY-UHFFFAOYSA-N
-rxn:4:223042:185107,CC(C)NC(=O)c1ccc(-c2cnc(S(=O)(=O)C(C)C)c(C(=O)OC(C)(C)C)c2)cc1Cl,NURGRCAOIHGQSF-UHFFFAOYSA-N
-rxn:4:223521:186335,CC(C)C(=O)C(C#N)c1ccc(-c2cccc(C(C)N3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1,CCBJHSPJTNUSDO-UHFFFAOYSA-N
-rxn:4:223580:175416,C#Cc1cc(-c2cc3cc(C(=O)OC)ccc3n2C(=O)OC(C)(C)C)ccc1C(=O)OC(C)(C)C,MZEFNOIVVTURPP-UHFFFAOYSA-N
-rxn:4:223581:185079,COC(=O)c1cccc2cc(-c3ccc(N(C(=O)OC(C)(C)C)C(C)C)cc3)n(C(=O)OC(C)(C)C)c12,UHLIDTNAXWUKDJ-UHFFFAOYSA-N
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-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:5:177733:223062:226794,CC(C)(C)OC(=O)c1cc(-c2cnc(N3CCSCC3)nc2)cc(-c2cnc(C3CCNCC3)cc2F)c1,GGABRUQJFKNNSO-UHFFFAOYSA-N
-rxn:5:177739:226663:225976,CC(C)(C)OC(=O)c1cccc(-c2ccc(N3CCSCC3)nc2)c1-c1ccnc(N2CCOCC2)c1F,XJSLRTXAZCYANI-UHFFFAOYSA-N
-rxn:5:177739:226679:223056,CC(C)(C)OC(=O)c1cccc(-c2cnc(N3CCCC3)cc2F)c1-c1ccc(N2CCC(O)CC2)nc1,HRWBQJWPDLKJDR-UHFFFAOYSA-N
-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:5:178295:226064:227490,COC(=O)C1(c2cc(-c3cnc(OC(C)(C)C)nc3)ccc2-c2ccc(C3CCCCC3)cc2)CCC(=O)CC1,NANVMDXIWVJZPO-UHFFFAOYSA-N
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-rxn:5:178295:227095:227772,COC(=O)C1(c2cc(-c3cncc(OC(F)(F)F)c3)ccc2-c2ccc(C3CC(=O)C3)cc2)CCC(=O)CC1,IWFDPHBWKRZRFQ-UHFFFAOYSA-N
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-rxn:5:178295:227346:228393,CCCc1cc(F)c(-c2ccc(-c3cc(F)cc(F)c3OC)cc2C2(C(=O)OC)CCC(=O)CC2)c(F)c1,PEDUBJARPBDECV-UHFFFAOYSA-N
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-rxn:5:178295:228437:226911,CCc1cc(C)cc(CC)c1-c1ccc(-c2ccc(C(F)F)cc2F)c(C2(C(=O)OC)CCC(=O)CC2)c1,XFWLCHQZYMKXRI-UHFFFAOYSA-N
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-rxn:5:178467:225833:223141,CCOC(=O)C1=Cc2cc(-c3cncc(C4CCNCC4)c3)cc(-c3ccnc(N4CCCCC4)c3F)c2OC1,IXYXSGLGDVQMST-UHFFFAOYSA-N
-rxn:5:178467:227408:223294,CCOC(=O)C1=Cc2cc(-c3csc(N4CCNCC4)n3)cc(-c3cc(C4CCC4)ncc3F)c2OC1,FYRZQQRKSNEYSS-UHFFFAOYSA-N
-rxn:5:178467:227960:225655,CCOC(=O)C1=Cc2cc(-c3cncc(N4CCC(C)CC4)c3)cc(-c3ccncc3C3CCC3)c2OC1,RJEPXJXMGGPCFF-UHFFFAOYSA-N
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-rxn:5:178568:226437:225451,Fc1cnc(C2CCCC2)cc1-c1cc(Cc2ccc(C3CC3)cc2)c(-c2ccc(SC3CCCCC3)cc2)c2c1CCO2,XOHKAMZGMLQREI-UHFFFAOYSA-N
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-rxn:5:180095:226571:226898,Cc1nn(S(=O)(=O)N(C)C)cc1-c1ccc(-c2cnn(CC3CCOCC3)c2)cc1OC1CCCC1,GFMCVEKXYWBMAZ-UHFFFAOYSA-N
-rxn:5:180602:225982:226395,COC(=O)C1Cc2cc(-c3cncc(N4CCCCC4)c3)cc(-c3cnc(N4CCOCC4)cc3F)c2O1,AQZOUQSRYKSLOU-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:5:180662:223000:227686,COC(=O)C1=Cc2cc(-c3ccc(OC)c([N+](=O)[O-])c3)cc(-c3ccc(C4CCCNC4)c(F)c3)c2OC1,WAIZWIWVXBYOBV-UHFFFAOYSA-N
-rxn:5:180662:225833:225834,COC(=O)C1=Cc2cc(-c3cc(N4CCCCC4)ncc3F)cc(-c3ccnc(N4CCCCC4)c3F)c2OC1,BJDBHWXKKZLQIF-UHFFFAOYSA-N
-rxn:5:180662:226895:225814,COC(=O)C1=Cc2cc(-c3cccc(C4(C(F)(F)F)CC4)c3)cc(-c3cc(F)c(C(F)(F)F)cc3F)c2OC1,KPANFFIMGHRVOE-UHFFFAOYSA-N
-rxn:5:180662:227686:223000,COC(=O)C1=Cc2cc(-c3ccc(C4CCCNC4)c(F)c3)cc(-c3ccc(OC)c([N+](=O)[O-])c3)c2OC1,ZLDCTAWZZSUERG-UHFFFAOYSA-N
-rxn:5:181904:222958:222980,Cc1ccc(-c2ccc(C3OCCO3)c(C)c2-c2ccc(CN3CCNCC3)cc2)cc1C1CCNCC1,YGODXRHMWLUNPX-UHFFFAOYSA-N
-rxn:5:181908:227390:225832,Cc1cc(-c2ccnn2C2CCCCC2)c(-c2c(C)nn(C3CCCCO3)c2C)cc1C1OCCO1,TZKZWJJSGBNRAB-UHFFFAOYSA-N
-rxn:5:183190:225407:225930,Cc1ccc(S(=O)(=O)N(C)C)c(-c2cc3c(c(-c4ccc(C5CCCCCC5)cc4)c2)CC(C)(C)C3=O)c1,HWOQLPVCTRLDON-UHFFFAOYSA-N
-rxn:5:183190:225824:225924,Cc1cc(S(=O)(=O)N(C)C)ccc1-c1cc2c(c(-c3cc(C4CC4)cc(C(F)(F)F)c3)c1)CC(C)(C)C2=O,ZVBKAUNIFHWJNF-UHFFFAOYSA-N
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-rxn:5:188787:225934:226447,O=[N+]([O-])c1cc(-c2cnc(C(F)(F)F)c(C3CC3)c2)c(-c2ccnc(C3CCOCC3)c2)cc1OC1CC1,BTGINZUANXMCRD-UHFFFAOYSA-N
-rxn:5:188787:225976:223006,O=[N+]([O-])c1cc(-c2ccnc(N3CCOCC3)c2F)c(-c2ccc(F)c(C3CCNCC3)c2)cc1OC1CC1,DZLCZCMWEWMHNW-UHFFFAOYSA-N
-rxn:5:188787:225976:223065,O=[N+]([O-])c1cc(-c2ccnc(N3CCOCC3)c2F)c(-c2ccc(N3CCNCC3)cc2F)cc1OC1CC1,UGLRTFZDIDPLTO-UHFFFAOYSA-N
-rxn:5:188787:226794:225595,O=[N+]([O-])c1cc(-c2cnc(N3CCSCC3)nc2)c(-c2ccc(F)c(CN3CCCC3)c2)cc1OC1CC1,RGBCKRABJJHXAS-UHFFFAOYSA-N
-rxn:5:189208:227091:226576,CN(C)C(=O)c1cc(-c2cc(-c3cncc(C4CCCC4)c3)ccc2C(=O)ON2C(=O)CCC2=O)ccc1F,GCKLZRIAIGTRAO-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:5:189211:225452:228552,CCOc1cccc(-c2c(C(=O)ON3C(=O)CCC3=O)cccc2-c2ccc(OC3C=CCCC3)cc2)c1,LOACBEWVZRTNQS-UHFFFAOYSA-N
-rxn:5:189211:225466:226197,CC1CCCCN1c1ccc(-c2cccc(C(=O)ON3C(=O)CCC3=O)c2-c2ccc(C3CCCOC3)cc2)cc1,JIWQQGMMFPJEKB-UHFFFAOYSA-N
-rxn:5:189211:225808:223259,CC(=O)Nc1cc(C)c(-c2c(C(=O)ON3C(=O)CCC3=O)cccc2-c2cc(OC3CCCC3)ncc2F)cn1,NZTVKKOOXKBWDP-UHFFFAOYSA-N
-rxn:5:189211:227340:226895,COC(=O)c1cc(-c2cccc(C(=O)ON3C(=O)CCC3=O)c2-c2cc(F)c(C(F)(F)F)cc2F)ccc1C,OKCJJKGJDZGVBJ-UHFFFAOYSA-N
-rxn:5:189321:223148:225588,CC(C)(C)OC(=O)c1nc(-c2ccccc2C2CNCCO2)ccc1-c1ccccc1CN1CCSCC1,ASZDSAYFMHNFOK-UHFFFAOYSA-N
-rxn:5:189449:225640:227761,COC1CN(C(=O)c2cc(-c3ccc(F)cc3C(F)(F)F)ccc2-c2ccnc(N3CCCCC3C)c2)C1,QUVKTHCOIUQSJN-UHFFFAOYSA-N
-rxn:5:189662:223006:227501,O=[N+]([O-])C=Cc1ccc(-c2ncc(-c3ccc(F)c(C4CCNCC4)c3)cc2OCC2CCOCC2)cc1,VNELULVFPSNBKC-UHFFFAOYSA-N
-rxn:5:189662:223006:227506,O=[N+]([O-])/C=C/c1cccc(-c2ncc(-c3ccc(F)c(C4CCNCC4)c3)cc2OCC2CCOCC2)c1,FPKNDZILJXBTRX-MDWZMJQESA-N
-rxn:5:189662:223006:227507,O=[N+]([O-])C=Cc1cccc(-c2ncc(-c3ccc(F)c(C4CCNCC4)c3)cc2OCC2CCOCC2)c1,FPKNDZILJXBTRX-UHFFFAOYSA-N
-rxn:5:189662:223064:227291,CN(C)Cc1ccc(-c2ncc(-c3ccc(C4CCNCC4)nc3F)cc2OCC2CCOCC2)cc1F,NRMORHPBAFTQAT-UHFFFAOYSA-N
-rxn:5:189662:223064:227303,CN(C)Cc1cccc(-c2ncc(-c3ccc(C4CCNCC4)nc3F)cc2OCC2CCOCC2)c1F,NQYYQUIFWDTIHG-UHFFFAOYSA-N
-rxn:5:189662:223064:227501,O=[N+]([O-])C=Cc1ccc(-c2ncc(-c3ccc(C4CCNCC4)nc3F)cc2OCC2CCOCC2)cc1,DXRARSDXCKFPGF-UHFFFAOYSA-N
-rxn:5:189662:223064:227506,O=[N+]([O-])/C=C/c1cccc(-c2ncc(-c3ccc(C4CCNCC4)nc3F)cc2OCC2CCOCC2)c1,AIWBYOVBBSGPCC-MDWZMJQESA-N
-rxn:5:189662:223064:227507,O=[N+]([O-])C=Cc1cccc(-c2ncc(-c3ccc(C4CCNCC4)nc3F)cc2OCC2CCOCC2)c1,AIWBYOVBBSGPCC-UHFFFAOYSA-N
-rxn:5:189662:227501:222998,O=[N+]([O-])C=Cc1ccc(-c2cnc(-c3cc(F)cc(C4CCCNC4)c3)c(OCC3CCOCC3)c2)cc1,KXNDZPOUHTVIBP-UHFFFAOYSA-N
-rxn:5:189662:227501:223006,O=[N+]([O-])C=Cc1ccc(-c2cnc(-c3ccc(F)c(C4CCNCC4)c3)c(OCC3CCOCC3)c2)cc1,IIWKXDMWPMYWAY-UHFFFAOYSA-N
-rxn:5:189662:227506:222998,O=[N+]([O-])/C=C/c1cccc(-c2cnc(-c3cc(F)cc(C4CCCNC4)c3)c(OCC3CCOCC3)c2)c1,QOZBURCFFHWMJF-UXBLZVDNSA-N
-rxn:5:189662:227506:223006,O=[N+]([O-])/C=C/c1cccc(-c2cnc(-c3ccc(F)c(C4CCNCC4)c3)c(OCC3CCOCC3)c2)c1,VAEYBCGVPXITPU-MDWZMJQESA-N
-rxn:5:189662:227507:222998,O=[N+]([O-])C=Cc1cccc(-c2cnc(-c3cc(F)cc(C4CCCNC4)c3)c(OCC3CCOCC3)c2)c1,QOZBURCFFHWMJF-UHFFFAOYSA-N
-rxn:5:189662:227507:223006,O=[N+]([O-])C=Cc1cccc(-c2cnc(-c3ccc(F)c(C4CCNCC4)c3)c(OCC3CCOCC3)c2)c1,VAEYBCGVPXITPU-UHFFFAOYSA-N
-rxn:5:189665:226422:225611,COc1cc(N2CCCC2)ccc1-c1cc(-c2cc(F)ccc2N2CCCC2)cnc1OCC1CCOCC1,HQBQCMIIKIJLPC-UHFFFAOYSA-N
-rxn:5:189665:228002:226898,Cc1nn(S(=O)(=O)N(C)C)cc1-c1cc(-c2sccc2C2CCCC2)cnc1OCC1CCOCC1,PCVUIMWSGRMNTR-UHFFFAOYSA-N
-rxn:5:189718:223001:228580,O=[N+]([O-])c1cc(-c2cccnc2C2CC2)c(-c2cc(C3CCCNC3)ccc2F)cc1OC1CCOCC1,XTDWYYUJCKLABC-UHFFFAOYSA-N
-rxn:5:189718:223065:223062,O=[N+]([O-])c1cc(-c2cnc(C3CCNCC3)cc2F)c(-c2ccc(N3CCNCC3)cc2F)cc1OC1CCOCC1,IEGCSOJODOGIHO-UHFFFAOYSA-N
-rxn:5:189718:223294:223001,O=[N+]([O-])c1cc(-c2cc(C3CCCNC3)ccc2F)c(-c2csc(N3CCNCC3)n2)cc1OC1CCOCC1,MWNOSMATIIBDLC-UHFFFAOYSA-N
-rxn:5:189718:223440:225934,O=[N+]([O-])c1cc(-c2cnc(C(F)(F)F)c(C3CC3)c2)c(-c2ccc(C3CC3)[nH]2)cc1OC1CCOCC1,JFJIEZMKHVHODH-UHFFFAOYSA-N
-rxn:5:189718:226583:223438,O=[N+]([O-])c1cc(-c2cn[nH]c2C(F)(F)F)c(-c2ccc(CN3CCOCC3)s2)cc1OC1CCOCC1,HEJQPDKQKPALTL-UHFFFAOYSA-N
-rxn:5:189718:227040:227093,Cc1ccc(OC(C)C)c(-c2cc(OC3CCOCC3)c([N+](=O)[O-])cc2-c2cccnc2C2CCCC2)c1,XZWXXTJOAFFXIZ-UHFFFAOYSA-N
-rxn:5:189718:227449:228476,O=[N+]([O-])c1cc(-c2cccnc2C(F)(F)F)c(-c2ccc(C3CCOCC3)s2)cc1OC1CCOCC1,AZWJWKNAMYJHMC-UHFFFAOYSA-N
-rxn:5:189718:228343:225849,COC(=O)c1sc(-c2cc(OC3CCOCC3)c([N+](=O)[O-])cc2-c2cnc(N3CCCCC3)cc2F)cc1C,BIJLJMJCKOVPBW-UHFFFAOYSA-N
-rxn:5:189718:228580:223006,O=[N+]([O-])c1cc(-c2ccc(F)c(C3CCNCC3)c2)c(-c2cccnc2C2CC2)cc1OC1CCOCC1,MCRFTLJQPPFQEO-UHFFFAOYSA-N
-rxn:5:189826:227661:226032,COc1cc(-c2ccc(CC(=O)N3CCOCC3)c(-c3ccc(C(F)(F)F)cc3C)c2)c(F)c(C(F)(F)F)c1,WAYVNOBYAJUSDT-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:5:189909:225982:223141,Fc1cc(N2CCOCC2)ncc1-c1ccc(-c2cncc(C3CCNCC3)c2)cc1CCN1CCOCC1,NDOQTQXOORICEA-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:5:189952:225637:226139,COc1c(-c2ccccc2N2CCN(C)CC2)cc(C(=O)N2CCOCC2)cc1-c1cc(C2CC2)cnc1C1CC1,SXMFGYZCNHHCLL-UHFFFAOYSA-N
-rxn:5:189952:225933:227919,CCOc1cc(C)cc(-c2cc(C(=O)N3CCOCC3)cc(-c3cc(C4CC4)nc(C(F)(F)F)c3)c2OC)c1,UGIVIIFPQYEDIA-UHFFFAOYSA-N
-rxn:5:189952:227376:227387,COc1c(-c2cncc(N3CCCC3)c2)cc(C(=O)N2CCOCC2)cc1-c1ccnc(N2CCCC2)c1,IPEVEKGRQZMGQL-UHFFFAOYSA-N
-rxn:5:190001:226658:227072,COc1cc(C2CC2)ccc1-c1ccc(CC(=O)N2CCCCC2)cc1-c1ccc(N2CCCC2)nc1F,YQIPEJZLEFUATQ-UHFFFAOYSA-N
-rxn:5:190001:227026:226054,N#Cc1ccc(-c2cc(CC(=O)N3CCCCC3)ccc2-c2cnc(C(F)(F)C(F)(F)F)nc2)cc1C1CC1,FLUUHNQKRFDQSV-UHFFFAOYSA-N
-rxn:5:190097:225607:223266,CNC(=O)c1ccc(F)cc1-c1ccc(-c2ccc(C(C)N3CCCCC3)s2)cc1CCN1CCCCC1,VRQMRLXUUYKCEK-UHFFFAOYSA-N
-rxn:5:190127:227045:227592,COc1cc(F)cc(-c2ccc(-c3cccc(SC(C)(C)C)c3)cc2C(=O)N2CCC(OC)CC2)c1OC,DWXQHXBZSNMDKC-UHFFFAOYSA-N
-rxn:5:190195:223062:228366,CN(C)c1ncc(-c2cc(CN(C)C3CCOCC3)ccc2-c2cnc(C3CCNCC3)cc2F)cc1F,ZJIJWXBKQYPOJW-UHFFFAOYSA-N
-rxn:5:190195:223063:228361,CN(C)c1cc(-c2cc(CN(C)C3CCOCC3)ccc2-c2cc(F)nc(C3CCNCC3)c2)c(F)cn1,ICQSCOAUVVRXQR-UHFFFAOYSA-N
-rxn:5:190195:223064:228366,CN(C)c1ncc(-c2cc(CN(C)C3CCOCC3)ccc2-c2ccc(C3CCNCC3)nc2F)cc1F,OBHLUJSASQMGCX-UHFFFAOYSA-N
-rxn:5:190195:225982:228366,CN(C)c1ncc(-c2cc(CN(C)C3CCOCC3)ccc2-c2cnc(N3CCOCC3)cc2F)cc1F,GIQRQDJZDDOKHW-UHFFFAOYSA-N
-rxn:5:190195:228361:223063,CN(C)c1cc(-c2ccc(CN(C)C3CCOCC3)cc2-c2cc(F)nc(C3CCNCC3)c2)c(F)cn1,WNZJZZYKIFEVOL-UHFFFAOYSA-N
-rxn:5:190195:228366:225982,CN(C)c1ncc(-c2ccc(CN(C)C3CCOCC3)cc2-c2cnc(N3CCOCC3)cc2F)cc1F,KWBNGDYRNDKNPC-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:5:190196:227093:227803,CN(Cc1ccc(-c2cccnc2C2CCCC2)cc1-c1ccnn1S(=O)(=O)N(C)C)C1CCOCC1,XBGIPCFFEUHITH-UHFFFAOYSA-N
-rxn:5:190196:227509:226147,Cc1cc(OC(C)C)cc(C)c1-c1cc(-c2cnc(F)c(OC(C)C)c2)ccc1CN(C)C1CCOCC1,RJOBDRZLVRSZFX-UHFFFAOYSA-N
-rxn:5:190197:223056:222958,Cc1ccc(-c2ccc(CN(C)C3CCOCC3)c(-c3ccc(N4CCC(O)CC4)nc3)c2)cc1C1CCNCC1,CQVDEQSVTWRBME-UHFFFAOYSA-N
-rxn:5:190197:226132:227801,Cc1cc(C2(C#N)CC2)ccc1-c1cc(-c2c(C(F)(F)F)ccnc2F)ccc1CN(C)C1CCOCC1,KYHHXWREZXMKST-UHFFFAOYSA-N
-rxn:5:190197:228366:225880,CN(C)c1ncc(-c2cc(-c3cc(C4CCOCC4)ncc3F)ccc2CN(C)C2CCOCC2)cc1F,JAOAGLBCJODVOF-UHFFFAOYSA-N
-rxn:5:190197:228366:225881,CN(C)c1ncc(-c2cc(-c3ccc(C4CCOCC4)nc3F)ccc2CN(C)C2CCOCC2)cc1F,IYQKJIABNSFSEK-UHFFFAOYSA-N
-rxn:5:190197:228366:225976,CN(C)c1ncc(-c2cc(-c3ccnc(N4CCOCC4)c3F)ccc2CN(C)C2CCOCC2)cc1F,XSKYVBHQAYGYQD-UHFFFAOYSA-N
-rxn:5:190197:228366:225982,CN(C)c1ncc(-c2cc(-c3cnc(N4CCOCC4)cc3F)ccc2CN(C)C2CCOCC2)cc1F,HUEWOJABRLJLRO-UHFFFAOYSA-N
-rxn:5:190198:223065:228366,CN(C)c1ncc(-c2cccc(-c3ccc(N4CCNCC4)cc3F)c2CN(C)C2CCOCC2)cc1F,URDLNEVOBKTDCR-UHFFFAOYSA-N
-rxn:5:190198:228366:225976,CN(C)c1ncc(-c2cccc(-c3ccnc(N4CCOCC4)c3F)c2CN(C)C2CCOCC2)cc1F,DAZIPFQWLAEUDU-UHFFFAOYSA-N
-rxn:5:190198:228366:225982,CN(C)c1ncc(-c2cccc(-c3cnc(N4CCOCC4)cc3F)c2CN(C)C2CCOCC2)cc1F,QTVLQLNDUGUYJZ-UHFFFAOYSA-N
-rxn:5:190199:223002:228366,CN(C)c1ncc(-c2ccc(-c3ccc(C4CCNCC4)cc3F)c(CN(C)C3CCOCC3)c2)cc1F,HPIKXCPONZHSRH-UHFFFAOYSA-N
-rxn:5:190199:223008:228366,CN(C)c1ncc(-c2ccc(-c3cc(C4CCNCC4)ccc3F)c(CN(C)C3CCOCC3)c2)cc1F,HKKONNZQJZLFDJ-UHFFFAOYSA-N
-rxn:5:190199:223063:228361,CN(C)c1cc(-c2ccc(-c3cc(F)nc(C4CCNCC4)c3)c(CN(C)C3CCOCC3)c2)c(F)cn1,DNADMPJTQXJMFS-UHFFFAOYSA-N
-rxn:5:190199:223113:226583,CN(Cc1cc(-c2ccc(CN3CCOCC3)s2)ccc1-c1ccc2c(c1)C(C)(C)C(=O)N2)C1CCOCC1,KOMVCGRILCPXCG-UHFFFAOYSA-N
-rxn:5:190199:225833:228366,CN(C)c1ncc(-c2ccc(-c3ccnc(N4CCCCC4)c3F)c(CN(C)C3CCOCC3)c2)cc1F,RTECTBNDBSISPG-UHFFFAOYSA-N
-rxn:5:190199:225834:228366,CN(C)c1ncc(-c2ccc(-c3cc(N4CCCCC4)ncc3F)c(CN(C)C3CCOCC3)c2)cc1F,PCJPAYNUZVLGNG-UHFFFAOYSA-N
-rxn:5:190199:225880:228361,CN(C)c1cc(-c2ccc(-c3cc(C4CCOCC4)ncc3F)c(CN(C)C3CCOCC3)c2)c(F)cn1,TZLHJBWWRYCARZ-UHFFFAOYSA-N
-rxn:5:190199:225880:228366,CN(C)c1ncc(-c2ccc(-c3cc(C4CCOCC4)ncc3F)c(CN(C)C3CCOCC3)c2)cc1F,AZAREYCZLNLLKB-UHFFFAOYSA-N
-rxn:5:190199:225978:228366,CN(C)c1ncc(-c2ccc(-c3ccc(N4CCOCC4)nc3F)c(CN(C)C3CCOCC3)c2)cc1F,WTTPTKHDSCFGEL-UHFFFAOYSA-N
-rxn:5:190199:225980:228366,CN(C)c1ncc(-c2ccc(-c3cc(N4CCOCC4)ncc3F)c(CN(C)C3CCOCC3)c2)cc1F,LOPLJNLDCBETBR-UHFFFAOYSA-N
-rxn:5:190199:228366:223061,CN(C)c1ncc(-c2ccc(-c3cc(C4CCNCC4)ncc3F)cc2CN(C)C2CCOCC2)cc1F,PJLZSJWSIYUSLP-UHFFFAOYSA-N
-rxn:5:190199:228366:225881,CN(C)c1ncc(-c2ccc(-c3ccc(C4CCOCC4)nc3F)cc2CN(C)C2CCOCC2)cc1F,OZFZUXWKNLQUNQ-UHFFFAOYSA-N
-rxn:5:190199:228366:225976,CN(C)c1ncc(-c2ccc(-c3ccnc(N4CCOCC4)c3F)cc2CN(C)C2CCOCC2)cc1F,ZXCUSZJYYQLAFW-UHFFFAOYSA-N
-rxn:5:190199:228366:225982,CN(C)c1ncc(-c2ccc(-c3cnc(N4CCOCC4)cc3F)cc2CN(C)C2CCOCC2)cc1F,KEOJUSKONXPLPY-UHFFFAOYSA-N
-rxn:5:190200:223063:228361,CN(C)c1cc(-c2cc(CN(C)C3CCOCC3)cc(-c3cc(F)nc(C4CCNCC4)c3)c2)c(F)cn1,LLAHYMQCDYHSMO-UHFFFAOYSA-N
-rxn:5:190200:227299:226424,CC1CCCN(c2csc(-c3cc(CN(C)C4CCOCC4)cc(-c4cc(F)cc(CN(C)C)c4)c3)c2)C1,IJZUYUVFFRXACI-UHFFFAOYSA-N
-rxn:5:190201:226662:227900,CC1CN(CCc2cc(-c3ccc(N4CCN(C)CC4)s3)ccc2-c2ccccc2C(C)C#N)CCO1,YKSHKQRJKRHASF-UHFFFAOYSA-N
-rxn:5:190231:222995:227507,COc1c(-c2cccc(C=C[N+](=O)[O-])c2)cc(C(=O)N2CCOC(C)C2)cc1-c1cccc(N2CCCC(O)C2)c1,OSAKNJZALVPYCZ-UHFFFAOYSA-N
-rxn:5:190231:225797:228337,CCOc1cc(F)c(-c2cc(C(=O)N3CCOC(C)C3)cc(-c3ccc(C(C)(C)C)c([N+](=O)[O-])c3)c2OC)cn1,NDNSPSDSMPNAPU-UHFFFAOYSA-N
-rxn:5:190231:225849:225976,COc1c(-c2cnc(N3CCCCC3)cc2F)cc(C(=O)N2CCOC(C)C2)cc1-c1ccnc(N2CCOCC2)c1F,DQTAFDRWNILJSP-UHFFFAOYSA-N
-rxn:5:190231:226679:227968,COc1c(-c2cnc(N3CCCC3)cc2F)cc(C(=O)N2CCOC(C)C2)cc1-c1cnccc1C1CCC1,ILQYNEAGTMMBKA-UHFFFAOYSA-N
-rxn:5:190231:226781:225814,COc1c(-c2cc(C)cc(OC(F)(F)F)c2)cc(C(=O)N2CCOC(C)C2)cc1-c1cccc(C2(C(F)(F)F)CC2)c1,ZATSMRXHEQDRPP-UHFFFAOYSA-N
-rxn:5:190231:228653:227379,COc1c(-c2cccnc2N2CCCC2)cc(C(=O)N2CCOC(C)C2)cc1-c1cnn2c1CCCC2,PSWXANOFCNTRMA-UHFFFAOYSA-N
-rxn:5:190265:226135:228490,Cc1cc(C#N)c(C2CC2)cc1-c1cc(CC(=O)N2CCCC(C)C2)ccc1-c1cccc(S(=O)(=O)F)c1,VKOVFGNTYOXCCQ-UHFFFAOYSA-N
-rxn:5:190265:228718:225804,Cc1ncc(C#N)cc1-c1cc(CC(=O)N2CCCC(C)C2)ccc1-c1ccc(C(=O)N2CCC2)c(F)c1,ARPHWLZISRPKQN-UHFFFAOYSA-N
-rxn:5:190299:227920:225603,CCC(=O)c1ccc(-c2ccc(OC)c(C=C3SC(=O)N(c4ccc(-c5cccc(C6(C#N)CCC6)c5F)cc4)C3=O)c2)cc1,FJPSBFIFWFIYES-UHFFFAOYSA-N
-rxn:5:190335:222994:228583,COc1c(-c2cccc(N3CCC(O)CC3)c2)cc(C(=O)N2CCCCC2C)cc1-c1ccnc(C(C)C)c1,OWHWJHGGFJUVCX-UHFFFAOYSA-N
-rxn:5:190336:227908:227058,COc1ccc(C2CC2)cc1-c1cc(C(=O)N2CCCC(C)C2)cc(-c2cccnc2CC(C)C)c1OC,XRKAXYFIKXUXJK-UHFFFAOYSA-N
-rxn:5:190336:227931:226130,COc1c(-c2ccc(CN3CCCC3)cc2)cc(C(=O)N2CCCC(C)C2)cc1-c1ccccc1OC1CC1,NOIMMQNFVHZRFU-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:5:190353:226211:225441,CC(=O)N1CCc2cc(-c3ccc(-c4cc(C5CC5)cnc4C(C)(C)C)c(C(=O)N4CCC(c5ccccc5)C4)c3)ccc21,RETRSKSGUYZSCN-UHFFFAOYSA-N
-rxn:5:190484:226422:228906,O=C(c1cccc(-c2cc(F)ccc2N2CCCC2)c1)N1CCC(c2ccccc2-c2ccnc(C(F)F)c2)S(=O)(=O)CC1,CVGOXKRAVACYTO-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:5:190484:228510:226589,CC(C)c1ccccc1-c1cccc(C(=O)N2CCC(c3ccccc3-c3cc(C(F)F)ncc3C(C)C)S(=O)(=O)CC2)c1,YSUWQGNMTLRFHS-UHFFFAOYSA-N
-rxn:5:190740:225834:225834,CCOC(=O)c1cnc2c(C)cc(-c3cc(N4CCCCC4)ncc3F)cc2c1-c1cc(N2CCCCC2)ncc1F,MBZCTZCHIPOEIT-UHFFFAOYSA-N
-rxn:5:190742:225655:223006,CCOC(=O)c1cnc2c(C)ccc(-c3cncc(N4CCC(C)CC4)c3)c2c1-c1ccc(F)c(C2CCNCC2)c1,GQULXMRIUXOUCJ-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:5:190742:225784:223006,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(CN4CCOCC4)nc3)c2c1-c1ccc(F)c(C2CCNCC2)c1,QEJSXHRKVLUSDL-UHFFFAOYSA-N
-rxn:5:190742:225976:225976,CCOC(=O)c1cnc2c(C)ccc(-c3ccnc(N4CCOCC4)c3F)c2c1-c1ccnc(N2CCOCC2)c1F,LQZGETKNOIUHNH-UHFFFAOYSA-N
-rxn:5:190742:225976:226583,CCOC(=O)c1cnc2c(C)ccc(-c3ccnc(N4CCOCC4)c3F)c2c1-c1ccc(CN2CCOCC2)s1,NEHACQYHEWDVKF-UHFFFAOYSA-N
-rxn:5:190743:223056:225982,CCOC(=O)c1cnc2c(C)c(-c3ccc(N4CCC(O)CC4)nc3)ccc2c1-c1cnc(N2CCOCC2)cc1F,ZGMBMECMLOHVNT-UHFFFAOYSA-N
-rxn:5:190743:225633:225849,CCOC(=O)c1cnc2c(C)c(-c3ccc(N4CCCCCC4)nc3)ccc2c1-c1cnc(N2CCCCC2)cc1F,HYMRWZXIBGNZSY-UHFFFAOYSA-N
-rxn:5:190743:225655:223064,CCOC(=O)c1cnc2c(C)c(-c3cncc(N4CCC(C)CC4)c3)ccc2c1-c1ccc(C2CCNCC2)nc1F,AZKWWBAMGFNQKC-UHFFFAOYSA-N
-rxn:5:190743:225655:225655,CCOC(=O)c1cnc2c(C)c(-c3cncc(N4CCC(C)CC4)c3)ccc2c1-c1cncc(N2CCC(C)CC2)c1,GCBTVUNZSCRDEG-UHFFFAOYSA-N
-rxn:5:190743:225982:225849,CCOC(=O)c1cnc2c(C)c(-c3cnc(N4CCOCC4)cc3F)ccc2c1-c1cnc(N2CCCCC2)cc1F,BGSPWJIMUGEXQY-UHFFFAOYSA-N
-rxn:5:190744:225784:225849,CCOC(=O)c1cnc2c(-c3ccc(CN4CCOCC4)nc3)c(C)ccc2c1-c1cnc(N2CCCCC2)cc1F,JABAGRIKYZEFGW-UHFFFAOYSA-N
-rxn:5:190798:226146:225407,CC(C)(C)OC(=O)n1cc(-c2ccc(SC3CCCC3)cc2)c2cc(-c3ccc(C4CCCCCC4)cc3)ccc21,VLLWYNFKDNSFNV-UHFFFAOYSA-N
-rxn:5:190798:226572:225618,CC(C)(C)OC(=O)n1cc(-c2cnc(OC3CCCC3)nc2)c2cc(-c3cccc(OC4CCCCO4)c3)ccc21,MSVVARATZPTRLQ-UHFFFAOYSA-N
-rxn:5:190799:226146:225394,CC(C)(C)OC(=O)n1ccc2c(-c3ccc(SC4CCCC4)cc3)c(-c3cc(C4CCC4)cc(C4CC4)c3)ccc21,NJIAKWZHYZRJRK-UHFFFAOYSA-N
-rxn:5:190799:227103:225451,CC(C)(C)OC(=O)n1ccc2c(-c3sccc3C3CCCCC3)c(-c3ccc(SC4CCCCC4)cc3)ccc21,WVECPRNNQIRJJC-UHFFFAOYSA-N
-rxn:5:190833:225786:225507,COC(=O)C1CCc2cc(-c3ccc(-c4ccc(Cn5cccn5)c(F)c4)c4c3CN(C(=O)OC(C)(C)C)C4=O)ccc21,SLTQWFMXQCZIDS-UHFFFAOYSA-N
-rxn:5:190833:227065:226589,CC(C)C(=O)c1cccc(-c2ccc(-c3cc(C(F)F)ncc3C(C)C)c3c2C(=O)N(C(=O)OC(C)(C)C)C3)c1,DZJLISQDEYNGCA-UHFFFAOYSA-N
-rxn:5:190833:227894:225815,CC(C)(C)OC(=O)N1Cc2c(-c3ccc(C4CC4)cc3C(F)(F)F)ccc(-c3cccc(/C=C/C#N)c3)c2C1=O,IRMCZAWIRRRVOR-FNORWQNLSA-N
-rxn:5:190859:227079:227065,CC(C)Cc1ccc(F)c(-c2ccc3c(c2-c2cccc(C(=O)C(C)C)c2)CCN3C(=O)OC(C)(C)C)c1,DJVNCPDXVBQGML-UHFFFAOYSA-N
-rxn:5:190859:228344:226150,CC(C)(C)OC(=O)N1CCc2c1ccc(-c1ccc(SC(F)F)cc1)c2-c1cccc(SC2CCCC2)c1,DPPOVIDNIFHBKY-UHFFFAOYSA-N
-rxn:5:190998:225833:226794,COC(=O)c1cc(-c2cnc(N3CCSCC3)nc2)ccc1N1Cc2cc(-c3ccnc(N4CCCCC4)c3F)ccc2OCC1=O,CBCBLSFIHOXUEB-UHFFFAOYSA-N
-rxn:5:190998:225980:225849,COC(=O)c1cc(-c2cnc(N3CCCCC3)cc2F)ccc1N1Cc2cc(-c3cc(N4CCOCC4)ncc3F)ccc2OCC1=O,UYSPDPLYQFFVIM-UHFFFAOYSA-N
-rxn:5:190998:226414:223105,CNS(=O)(=O)c1cc(-c2ccc(N3Cc4cc(-c5ccc(C6=NCCCO6)cc5)ccc4OCC3=O)c(C(=O)OC)c2)c(F)cc1C,MTOGZSVNDQYIGU-UHFFFAOYSA-N
-rxn:5:191026:223230:228196,COC(=O)C1=CN(c2ccc(C)c(-c3c(C)ncnc3C3CC3)c2)c2cc(-c3ccc(NC(C)=O)cc3C)ccc2S1(=O)=O,WCCJZROVMRYGRW-UHFFFAOYSA-N
-rxn:5:191026:225800:228178,COCc1ccc(F)c(-c2cc(N3C=C(C(=O)OC)S(=O)(=O)c4ccc(-c5ccc(C(=O)N6CCSC6)cc5)cc43)ccc2C)c1,WETWYAZRLBJIGS-UHFFFAOYSA-N
-rxn:5:191026:227989:226062,CC#Cc1ccc(F)c(-c2ccc3c(c2)N(c2ccc(C)c(-c4cc(C(C)C)cc(C(C)C)c4)c2)C=C(C(=O)OC)S3(=O)=O)c1,WZRWOTJVGAABAR-UHFFFAOYSA-N
-rxn:5:191049:226366:223141,COc1cc(N2Cc3cc(-c4ccnc(N5CCCCC5)c4)ccc3OCC2=O)c(OC)cc1-c1cncc(C2CCNCC2)c1,YCDJFRLYVDNYSJ-UHFFFAOYSA-N
-rxn:5:192880:225600:226898,Cc1nn(S(=O)(=O)N(C)C)cc1-c1c(-c2cccnc2OC2CCCCC2)ccnc1OC1CCCC1,WEFRIXBLJPDMOU-UHFFFAOYSA-N
-rxn:5:192880:225605:226898,Cc1cnc(OC2CCCC2)c(-c2ccnc(OC3CCCC3)c2-c2cn(S(=O)(=O)N(C)C)nc2C)c1,HRIBTZUUUUUIID-UHFFFAOYSA-N
-rxn:5:192880:225803:226898,Cc1nn(S(=O)(=O)N(C)C)cc1-c1c(-c2ccnc(OC3CCOCC3)c2)ccnc1OC1CCCC1,RHODVLBUZORAQS-UHFFFAOYSA-N
-rxn:5:192880:226898:225600,Cc1nn(S(=O)(=O)N(C)C)cc1-c1ccnc(OC2CCCC2)c1-c1cccnc1OC1CCCCC1,CLGPVCKRJWHGJD-UHFFFAOYSA-N
-rxn:5:193225:226345:225470,COC(=O)c1cc(-c2ccc(-c3ccc(N4CCC(C)CC4)cc3)c(C(=O)N3CCOCC3)c2)c(C)cc1C,HCFQSDOLLPCYNR-UHFFFAOYSA-N
-rxn:5:193225:227496:225652,CCN(C)c1cc(F)c(-c2ccc(-c3cncc(N4CCCC(C)C4)c3)c(C(=O)N3CCOCC3)c2)cn1,RCEJLNIUWVHLEG-UHFFFAOYSA-N
-rxn:5:193226:226679:226644,O=C(c1ccc(-c2cnc(N3CCCC3)cc2F)c(-c2cncc(N3CCOCC3)c2)c1)N1CCOCC1,UQDKPBILAVMFNP-UHFFFAOYSA-N
-rxn:5:193227:225849:227093,O=C(c1cc(-c2cnc(N3CCCCC3)cc2F)cc(-c2cccnc2C2CCCC2)c1)N1CCOCC1,QUEZDYZXMVATMA-UHFFFAOYSA-N
-rxn:5:193229:225784:225833,O=C(c1cccc(-c2ccc(CN3CCOCC3)nc2)c1-c1ccnc(N2CCCCC2)c1F)N1CCOCC1,BDLUQWAZRJOYAC-UHFFFAOYSA-N
-rxn:5:193229:227316:225976,CC(C)Cc1cc(-c2cccc(C(=O)N3CCOCC3)c2-c2ccnc(N3CCOCC3)c2F)cc(F)n1,DGGWHFXBAPSSIT-UHFFFAOYSA-N
-rxn:5:193230:223064:226395,O=C(c1ccc(-c2ccc(C3CCNCC3)nc2F)cc1-c1cncc(N2CCCCC2)c1)N1CCOCC1,KPPNUHJIUVZHDU-UHFFFAOYSA-N
-rxn:5:193329:226324:226898,Cc1nn(S(=O)(=O)N(C)C)cc1-c1c(-c2cccnc2OC2CCCC2)ccnc1OC1CCCCC1,RIAAIYNWINZALH-UHFFFAOYSA-N
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-rxn:5:193756:225674:226177,CC1CCCCN1C(=O)c1ccc(-c2cnc(C3CCCCC3)cc2F)cc1-c1ccnc(C2CCCCC2)c1,WPDDJFBOCXETFN-UHFFFAOYSA-N
-rxn:5:193756:225808:226183,CC1CCCCN1C(=O)c1ccc(-c2cc(OC3CCCC3)ncc2F)cc1-c1cnccc1C1CCCCC1,UCTVFYNCEQMWMJ-UHFFFAOYSA-N
-rxn:5:193756:225808:226664,CC1CCCCN1C(=O)c1ccc(-c2cc(OC3CCCC3)ncc2F)cc1-c1cc(N2CCCC2)ncc1F,VOWWQZYXEOBROS-UHFFFAOYSA-N
-rxn:5:193756:225819:225591,CC1CCCCN1C(=O)c1ccc(-c2cc(C(F)(F)F)ccc2C2CC2)cc1-c1cc(CN2CCCC2)ccc1F,ICEZZZAMARNYBZ-UHFFFAOYSA-N
-rxn:5:193756:226338:226843,CC1CCCCN1C(=O)c1ccc(-c2ccnc(OC3CCCC3)c2)cc1-c1ccc(C(=O)C(F)(F)F)nc1,IQBQYIZABYOLNE-UHFFFAOYSA-N
-rxn:5:193756:226587:226437,CC1CCCCN1C(=O)c1ccc(-c2cnc(OC3CCC3)cc2F)cc1-c1cc(C2CCCC2)ncc1F,AYUDOIJUGTVPBU-UHFFFAOYSA-N
-rxn:5:193756:226611:227408,CCc1ccc(C(F)(F)F)cc1-c1ccc(C(=O)N2CCCCC2C)c(-c2cc(C3CCC3)ncc2F)c1,LBYDQBXCKGUNKY-UHFFFAOYSA-N
-rxn:5:193756:226746:223136,CCc1cnc(C(F)(F)F)cc1-c1ccc(C(=O)N2CCCCC2C)c(-c2ccncc2C2CCCNC2)c1,WAYGQZCFFXDBSO-UHFFFAOYSA-N
-rxn:5:193756:226844:225849,CC1CCCCN1C(=O)c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1-c1cnc(N2CCCCC2)cc1F,IZHQSFVSNNENNX-UHFFFAOYSA-N
-rxn:5:193756:226844:226374,CC1CCCCN1C(=O)c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1-c1cncnc1C1CCCCC1,FQKQCZOKESKYKP-UHFFFAOYSA-N
-rxn:5:193756:227094:225605,Cc1cnc(OC2CCCC2)c(-c2cc(-c3cnccc3C3CCCC3)ccc2C(=O)N2CCCCC2C)c1,LTXKWCYTJJGEAH-UHFFFAOYSA-N
-rxn:5:193756:227408:225600,CC1CCCCN1C(=O)c1ccc(-c2cc(C3CCC3)ncc2F)cc1-c1cccnc1OC1CCCCC1,ROBAAGLJFWFMPI-UHFFFAOYSA-N
-rxn:5:193756:227408:225808,CC1CCCCN1C(=O)c1ccc(-c2cc(C3CCC3)ncc2F)cc1-c1cc(OC2CCCC2)ncc1F,MHBYSVYVINFLKR-UHFFFAOYSA-N
-rxn:5:193756:227960:225592,CC1CCCCN1C(=O)c1ccc(-c2ccncc2C2CCC2)cc1-c1cc(F)ccc1CN1CCCC1,RIPKSGZAMFCRQV-UHFFFAOYSA-N
-rxn:5:193866:225886:226061,CC(C)c1cc(-c2cc(C3(N4CCC(=O)CC4)CC3)ccc2-c2ccc3c(ccn3S(C)(=O)=O)c2)cc(C2CC2)c1,YVYRPHGNOUKFPE-UHFFFAOYSA-N
-rxn:5:193866:226590:225451,O=C1CCN(C2(c3ccc(-c4ccc(OC5CCOC5)nc4)c(-c4ccc(SC5CCCCC5)cc4)c3)CC2)CC1,WZRDYUNUPRMLST-UHFFFAOYSA-N
-rxn:5:193870:225514:223011,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cc3[nH]ncc3cc2OC(C)C)cc1-c1cccc2c1OCC1(CC1)CO2,RXHOVXQRQTYMMS-UHFFFAOYSA-N
-rxn:5:193870:228879:226335,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2ccc(C3COC3)c(C#N)c2)cc1-c1ccnn1C1COC1,MBTRMTBBOIZDEJ-UHFFFAOYSA-N
-rxn:5:193871:223063:226438,O=C(c1ccc(-c2cnc(C3CCCC3)cc2F)c(-c2cc(F)nc(C3CCNCC3)c2)c1)N1CCC2(CC1)CC2,HGVPJYNZCMWMIU-UHFFFAOYSA-N
-rxn:5:193932:225886:226179,CC1CC(C)CN(C(=O)c2ccc(-c3cncc(C4CCCCC4)c3)c(-c3ccc4c(ccn4S(C)(=O)=O)c3)c2)C1,AKAYLGOTZJIENK-UHFFFAOYSA-N
-rxn:5:193967:226139:226751,Cc1cc(OC(F)(F)F)ccc1-c1cc(-c2cc(C3CC3)cnc2C2CC2)ccc1CN1CCC2(CC1)OCCO2,OFKHRQQLZYVLRR-UHFFFAOYSA-N
-rxn:5:193968:223294:227777,O=[N+]([O-])c1cc(F)c(F)cc1-c1ccc(-c2csc(N3CCNCC3)n2)cc1CN1CCC2(CC1)OCCO2,PSCMWUCVFXDOSN-UHFFFAOYSA-N
-rxn:5:193972:227970:223294,Cc1cc(-c2ccncc2C(C)(C)C)c(S(=O)(=O)N2CCCCCC2)cc1-c1csc(N2CCNCC2)n1,NYYNBNBJMBHDJL-UHFFFAOYSA-N
-rxn:5:194399:226576:226839,CN(C)C(=O)c1cc(-c2ccc(C(=O)N3CC4CC4C3)cc2-c2cc(C(F)(F)F)ncc2C#N)ccc1F,FANHUVDXJKXZAK-UHFFFAOYSA-N
-rxn:5:194399:226883:226412,O=C(c1ccc(-c2c(F)ccc(C(F)(F)F)c2F)c(-c2cc(F)cc(N3CCCC3)c2)c1)N1CC2CC2C1,AVZQOQMLZQSBBC-UHFFFAOYSA-N
-rxn:5:194522:226180:225985,Cc1cc(-c2ccc3c(c2-c2cccc(N4CCCS4(=O)=O)c2)CCN3CC(C)C)cc(C2CCCC2)n1,RSSHNFCNVSUFQW-UHFFFAOYSA-N
-rxn:5:194561:226840:228974,CS(=O)(=O)n1cc(-c2ccc(-c3cc(C#N)nc(C(F)(F)F)c3)cc2C(=O)N2C3CCC2COC3)cn1,XJNRUCPLGIKQFA-UHFFFAOYSA-N
-rxn:5:194634:225935:225822,CC(C)c1cc(-c2ccc(-c3cccc(C(F)(F)F)c3C3CC3)c(C(=O)N3CCc4ccccc4C3)c2)cc(C(F)(F)F)n1,PNTJSYZQSHVXEP-UHFFFAOYSA-N
-rxn:5:194733:223149:223011,CCOc1cc2cn[nH]c2cc1-c1ccc(-c2cc3[nH]ncc3cc2OC(C)C)c(C(=O)N2C3CCC2CC(=C2CC2)C3)c1,JMEGFDKWLNIHCS-UHFFFAOYSA-N
-rxn:5:194733:226058:225451,CC(C)c1cccc(C(C)C)c1-c1ccc(-c2ccc(SC3CCCCC3)cc2)c(C(=O)N2C3CCC2CC(=C2CC2)C3)c1,IFWOUZJNGCHCLL-UHFFFAOYSA-N
-rxn:5:194733:227387:227115,Cc1cc(-c2ccc(-c3ccnc(N4CCCC4)c3)cc2C(=O)N2C3CCC2CC(=C2CC2)C3)c(F)cc1C1CC1,WXAWCTQSPIXPNR-UHFFFAOYSA-N
-rxn:5:194767:222417:223006,CC(C)c1[nH]c(=O)ncc1-c1ccc(-c2ccc(F)c(C3CCNCC3)c2)c(C(=O)N2CCCC3(C2)OC(=O)c2ccccc23)c1,KXUKVHWQDZRUDZ-UHFFFAOYSA-N
-rxn:5:194791:227858:227409,CN1Cc2cccc(-c3ccccc3N3C(=O)C4C(c5ccc(-c6cc(C(C)(C)C)ncc6F)cc5)OC5(C(=O)c6ccccc6C5=O)C4C3=O)c2C1,IQIBUMMIRGQXEH-UHFFFAOYSA-N
-rxn:5:194792:226910:223149,CCOc1cc2cn[nH]c2cc1-c1ccc(N2C(=O)C3C(c4ccc(-c5ccc(C(C)(C)CC)cc5)cc4)OC4(C(=O)c5ccccc5C4=O)C3C2=O)cc1,MZVHMNBDUCZJKF-UHFFFAOYSA-N
-rxn:5:194792:226968:228211,CC1(C)Cc2ccc(-c3ccc(C4OC5(C(=O)c6ccccc6C5=O)C5C(=O)N(c6ccc(-c7cc(N8CCCC8)cs7)cc6)C(=O)C45)cc3)cc2O1,LPWHXNPLCZNGBD-UHFFFAOYSA-N
-rxn:5:194792:227330:226141,COC(=O)c1ccc(-c2ccc(C3OC4(C(=O)c5ccccc5C4=O)C4C(=O)N(c5ccc(-c6ccccc6OC6CCCC6)cc5)C(=O)C34)cc2)c(C)c1,KXKOZWDHEDPBSG-UHFFFAOYSA-N
-rxn:5:194792:227896:223190,CNS(=O)(=O)c1ccc(F)cc1-c1ccc(N2C(=O)C3C(c4ccc(-c5ccccc5C=CC#N)cc4)OC4(C(=O)c5ccccc5C4=O)C3C2=O)cc1,REKPSVOLTSUIKB-UHFFFAOYSA-N
-rxn:5:196189:222981:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(C2=NCCO2)ccc1-c1ccnc(NC2CCCCC2)c1,APCDKYAQQQPODX-UHFFFAOYSA-N
-rxn:5:196791:225976:225982,O=C1COCCN1c1cccc(-c2ccnc(N3CCOCC3)c2F)c1-c1cnc(N2CCOCC2)cc1F,IFHGOGHKLJZHAI-UHFFFAOYSA-N
-rxn:5:196794:225982:225976,O=C1COCCN1c1cc(-c2cnc(N3CCOCC3)cc2F)ccc1-c1ccnc(N2CCOCC2)c1F,KMEBFKLGIVDLGO-UHFFFAOYSA-N
-rxn:5:196858:226898:225600,Cc1nn(S(=O)(=O)N(C)C)cc1-c1cnc(C2CCOCC2)cc1-c1cccnc1OC1CCCCC1,RJCUUUIZPIYIEB-UHFFFAOYSA-N
-rxn:5:196859:226898:225600,Cc1nn(S(=O)(=O)N(C)C)cc1-c1c(C2CCOCC2)ccnc1-c1cccnc1OC1CCCCC1,WTACZKDIBJZAEE-UHFFFAOYSA-N
-rxn:5:196870:225394:226686,Cc1cnn(C2CCCCO2)c1-c1cc(-c2cc(C3CCC3)cc(C3CC3)c2)cc(N2CCOCC2)c1,RUQWQPIQMUDAJD-UHFFFAOYSA-N
-rxn:5:196873:225602:225638,CC1CCN(c2ccc(-c3cc(N4CCOCC4)ccc3-c3cc(C4(C#N)CCC4)ccc3F)cn2)CC1,DNFWBQJASJWLPY-UHFFFAOYSA-N
-rxn:5:196922:226652:226424,Cc1cc(-c2cc(-c3cc(N4CCCC(C)C4)cs3)cc(N3CCCCC3=O)c2)n(C2CCCCO2)n1,YZKRXAYYAAYMHO-UHFFFAOYSA-N
-rxn:5:197876:223189:228282,CC(F)(F)c1ccccc1-c1cc2c(cc1-c1ccc(NS(C)(=O)=O)cc1F)S(=O)(=O)N(C(C)(C)C)C2=O,LQZQLXIBBIUESF-UHFFFAOYSA-N
-rxn:5:197876:225395:227722,CC(C)(C)c1cc(-c2cc3c(cc2-c2cccc(SC(F)(F)F)c2)C(=O)N(C(C)(C)C)S3(=O)=O)cc(C2CC2)c1,NHZYWUAMVXBSLI-UHFFFAOYSA-N
-rxn:5:197876:225454:228344,CN1CC=C(c2ccc(-c3cc4c(cc3-c3ccc(SC(F)F)cc3)C(=O)N(C(C)(C)C)S4(=O)=O)cc2)CC1,MZHYPNRTPWTDGL-UHFFFAOYSA-N
-rxn:5:197876:225469:228929,CC1CCCN(c2ccc(-c3cc4c(cc3-c3cncc(C(F)F)c3)C(=O)N(C(C)(C)C)S4(=O)=O)cc2)C1,UXHSPIQKKMZINX-UHFFFAOYSA-N
-rxn:5:197876:225498:226911,CCc1cc(C)cc(CC)c1-c1cc2c(cc1-c1cc(C3CCCCC3)ccc1F)S(=O)(=O)N(C(C)(C)C)C2=O,BKUQQXXEZJLMJW-UHFFFAOYSA-N
-rxn:5:197876:225498:227891,CN(C)Cc1ccccc1-c1cc2c(cc1-c1cc(C3CCCCC3)ccc1F)S(=O)(=O)N(C(C)(C)C)C2=O,DWPJRKSRFINVGG-UHFFFAOYSA-N
-rxn:5:197876:225499:227331,CC(C)Oc1cccc(F)c1-c1cc2c(cc1-c1ccc(C3CCCCC3)cc1F)S(=O)(=O)N(C(C)(C)C)C2=O,XOWJCDCKWBJCGP-UHFFFAOYSA-N
-rxn:5:197876:225499:227920,CCC(=O)c1ccc(-c2cc3c(cc2-c2ccc(C4CCCCC4)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1,SFCXVAJPSBXLHW-UHFFFAOYSA-N
-rxn:5:197876:225499:228792,CSc1ccc(-c2cc3c(cc2-c2ccc(C4CCCCC4)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1F,VEIIMZCFJPUWCH-UHFFFAOYSA-N
-rxn:5:197876:225601:228702,CC(C)c1ncncc1-c1cc2c(cc1-c1ccc(C3(C#N)CCC3)cc1F)S(=O)(=O)N(C(C)(C)C)C2=O,QXRDLFSRWPFPEM-UHFFFAOYSA-N
-rxn:5:197876:225815:227971,CC(C)(C)c1ccncc1-c1cc2c(cc1-c1ccc(C3CC3)cc1C(F)(F)F)S(=O)(=O)N(C(C)(C)C)C2=O,ZLBNUHNTNRPHCB-UHFFFAOYSA-N
-rxn:5:197876:225823:226579,CC(C)c1cc(-c2cc3c(cc2-c2cc(F)cc(C(=O)N(C)C)c2)C(=O)N(C(C)(C)C)S3(=O)=O)cc(C(F)(F)F)c1,MNMGCCBJHDWFLW-UHFFFAOYSA-N
-rxn:5:197876:226031:225461,Cc1cc(N2CCCCC2)ccc1-c1cc2c(cc1-c1ccc(C(F)(F)F)cc1C(F)F)S(=O)(=O)N(C(C)(C)C)C2=O,FMXQQUJQPAFZJX-UHFFFAOYSA-N
-rxn:5:197876:226031:227412,CC(C)(C)c1cc(F)c(-c2cc3c(cc2-c2ccc(C(F)(F)F)cc2C(F)F)S(=O)(=O)N(C(C)(C)C)C3=O)cn1,AAYUXWPRCTXUQF-UHFFFAOYSA-N
-rxn:5:197876:226031:228317,COC(=O)c1ccc(-c2cc3c(cc2-c2ccc(C(F)(F)F)cc2C(F)F)S(=O)(=O)N(C(C)(C)C)C3=O)cn1,FXFCGKAQKHZECU-UHFFFAOYSA-N
-rxn:5:197876:226031:228677,CC(C)Cn1cc(-c2cc3c(cc2-c2ccc(C(F)(F)F)cc2C(F)F)S(=O)(=O)N(C(C)(C)C)C3=O)cn1,RSJPZKYLNWWEII-UHFFFAOYSA-N
-rxn:5:197876:226032:227522,COC(=O)c1ccc(-c2cc3c(cc2-c2cc(OC)cc(C(F)(F)F)c2F)S(=O)(=O)N(C(C)(C)C)C3=O)c(C)n1,HIOHBLZHIQJCOU-UHFFFAOYSA-N
-rxn:5:197876:226058:226155,CC(=O)c1cc(-c2cc3c(cc2-c2c(C(C)C)cccc2C(C)C)S(=O)(=O)N(C(C)(C)C)C3=O)cc(C2CC2)c1,NYYLVDRSLMCFDT-UHFFFAOYSA-N
-rxn:5:197876:226058:228233,CC(=O)c1cc(C)c(-c2cc3c(cc2-c2c(C(C)C)cccc2C(C)C)S(=O)(=O)N(C(C)(C)C)C3=O)cn1,PTTQYPCNLWCWIQ-UHFFFAOYSA-N
-rxn:5:197876:226062:226914,Cc1cc(CC(C)C)ccc1-c1cc2c(cc1-c1cc(C(C)C)cc(C(C)C)c1)S(=O)(=O)N(C(C)(C)C)C2=O,MOOCGIJJGJOVAN-UHFFFAOYSA-N
-rxn:5:197876:226062:226919,CC(C)c1cc(-c2cc3c(cc2-c2cccc(C4CCCC4)c2)C(=O)N(C(C)(C)C)S3(=O)=O)cc(C(C)C)c1,MSMBDQVUFSJKGI-UHFFFAOYSA-N
-rxn:5:197876:226062:227045,CC(C)c1cc(-c2cc3c(cc2-c2cccc(SC(C)(C)C)c2)C(=O)N(C(C)(C)C)S3(=O)=O)cc(C(C)C)c1,CHNBDWPGPIGREL-UHFFFAOYSA-N
-rxn:5:197876:226068:227076,CCC(C)c1ccc(F)c(-c2cc3c(cc2-c2c(C)cc(C(C)(C)C)cc2C)S(=O)(=O)N(C(C)(C)C)C3=O)c1,XWJAUGLKSUHBBS-UHFFFAOYSA-N
-rxn:5:197876:226085:227913,CC(C)Oc1ccc(-c2cc3c(cc2-c2ccc4c(c2)CCC(C)(C)O4)S(=O)(=O)N(C(C)(C)C)C3=O)cc1,BERXALFXXARGTG-UHFFFAOYSA-N
-rxn:5:197876:226085:227940,CCc1cc(SC)cc(-c2cc3c(cc2-c2ccc4c(c2)CCC(C)(C)O4)S(=O)(=O)N(C(C)(C)C)C3=O)c1,DPDXHDNVBXVUKU-UHFFFAOYSA-N
-rxn:5:197876:226137:228434,CC(C)c1ncc(C2CC2)cc1-c1cc2c(cc1-c1ccc(C(F)F)c(F)c1)C(=O)N(C(C)(C)C)S2(=O)=O,ZLSYIDNZZNBSSL-UHFFFAOYSA-N
-rxn:5:197876:226190:227039,CC(C)(C)Oc1ccc(-c2cc3c(cc2-c2ccc(C4CCCC4)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1,ULWGHJFOKVHWFS-UHFFFAOYSA-N
-rxn:5:197876:226190:227589,Cc1cc(OC(F)F)cc(-c2cc3c(cc2-c2ccc(C4CCCC4)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,QTWXKJVCPIEKRC-UHFFFAOYSA-N
-rxn:5:197876:226190:227905,CC(C)Cc1cc(-c2cc3c(cc2-c2ccc(C4CCCC4)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)ccn1,LVXAPRFDOHKTSH-UHFFFAOYSA-N
-rxn:5:197876:226325:227830,CC(C)(C#N)c1ccc(-c2cc3c(cc2-c2ccc(C4(C)CC4)cc2)C(=O)N(C(C)(C)C)S3(=O)=O)c(F)c1,OLYSPJLDQBRRBR-UHFFFAOYSA-N
-rxn:5:197876:226334:227758,Cc1cc(C(=O)N(C)C)cc(-c2cc3c(cc2-c2cc(F)ccc2C(F)(F)F)C(=O)N(C(C)(C)C)S3(=O)=O)c1,KPMFLELVJKAHJM-UHFFFAOYSA-N
-rxn:5:197876:226346:227077,CCC(C)c1ccc(-c2cc3c(cc2-c2cc(C)cc(OC(C)C)c2F)S(=O)(=O)N(C(C)(C)C)C3=O)c(F)c1,NMTYMWGTIXAGFU-UHFFFAOYSA-N
-rxn:5:197876:226438:227971,CC(C)(C)c1ccncc1-c1cc2c(cc1-c1cnc(C3CCCC3)cc1F)S(=O)(=O)N(C(C)(C)C)C2=O,CHHLTZBIIHNTTE-UHFFFAOYSA-N
-rxn:5:197876:226581:227898,CC(C)Cc1cncc(-c2cc3c(cc2-c2cccc(C(=O)N(C)C)c2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,SQMBWZOOBHIJBG-UHFFFAOYSA-N
-rxn:5:197876:226589:223229,CC(=O)Nc1ccc(C)c(-c2cc3c(cc2-c2cc(C(F)F)ncc2C(C)C)S(=O)(=O)N(C(C)(C)C)C3=O)c1,MLKOPFBSIVEZLZ-UHFFFAOYSA-N
-rxn:5:197876:226589:227832,Cc1cc(C2CC2)ccc1-c1cc2c(cc1-c1cc(C(F)F)ncc1C(C)C)S(=O)(=O)N(C(C)(C)C)C2=O,OSGWFGHCQLNBCN-UHFFFAOYSA-N
-rxn:5:197876:226589:228478,CC(C)c1cnc(C(F)F)cc1-c1cc2c(cc1-c1cncc(C(F)(F)F)c1)C(=O)N(C(C)(C)C)S2(=O)=O,VGPWLHNVPKILSZ-UHFFFAOYSA-N
-rxn:5:197876:226593:227052,CC(C)Oc1ccc(F)c(-c2cc3c(cc2-c2ccc(SC(C)(C)C)cc2)C(=O)N(C(C)(C)C)S3(=O)=O)c1F,IGHLREFVRPPSPH-UHFFFAOYSA-N
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-rxn:5:197876:226741:228003,CSc1cc(C)c(-c2cc3c(cc2-c2cc(C(F)(F)F)ccc2C#N)S(=O)(=O)N(C(C)(C)C)C3=O)c(C)c1,VINXZGKTUUIPKL-UHFFFAOYSA-N
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-rxn:4:175933:224720,CC(C)(C)OC(=O)n1cc(-c2ccc(C3(C(=O)OC(C)(C)C)CC3)cc2)c(C2CC2)n1,JBCHOUIISGXXKL-UHFFFAOYSA-N
-rxn:4:176099:223922,CN(C(=O)c1cc(-c2cccc(F)c2CO[Si](C)(C)C(C)(C)C)ccc1Cl)C1CCCCC1,TZZLPCFUNWVWGF-UHFFFAOYSA-N
-rxn:4:176116:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3cc(C(=O)OC(C)(C)C)cc(-c4ccc(F)cc4)c3)cc21,ZEYDWPSXVGNFEX-UHFFFAOYSA-N
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-rxn:4:176131:223886,CC(C)(C)OC(=O)N1CCc2c(cccc2-c2cc(SC(C)(C)C)cc(SC(C)(C)C)c2)C1,CWHDWPWEOGOCOL-UHFFFAOYSA-N
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-rxn:4:176322:228151,CCC1(CC)CC(C)(C)c2c1cc1c(c2-c2cccc(C(=O)OC)c2)C(C)(C)CC1(CC)CC,DGJNAUOCLYCJLA-UHFFFAOYSA-N
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-rxn:4:176517:222825,CC(C)(C)NS(=O)(=O)c1ccc(Cl)cc1-c1cc(C(F)(F)F)cc(F)c1C(=O)C(F)(F)F,AEDYIULMUCPZIG-UHFFFAOYSA-N
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-rxn:4:178384:229006,CSc1ccc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)cc1,QVTLCBOLIIWSMW-UHFFFAOYSA-N
-rxn:4:178588:225281,CC(C)(C)OC(=O)c1cc(-c2ccc3c(c2)CCC(O[Si](C)(C)C(C)(C)C)C3)cc(Cl)n1,ODOWVOAHXNYMNF-UHFFFAOYSA-N
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-rxn:4:178597:229066,CCc1ncncc1-c1ccc(OC(=O)C2OC3OC(C)(C)OC3C3OC(C)(C)OC23)cc1,UDQOBORADCSAON-UHFFFAOYSA-N
-rxn:4:178597:229299,Cn1ccc(-c2ccc(OC(=O)C3OC4OC(C)(C)OC4C4OC(C)(C)OC34)cc2)n1,IFGQCQSJFJZOPO-UHFFFAOYSA-N
-rxn:4:179311:223559,CC(=O)c1cc(Cl)cc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)c1C(F)(F)F,CKCOEUMCNGYPGR-UHFFFAOYSA-N
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-rxn:4:179445:223559,COC(=O)c1ccc(F)c(C)c1-c1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)OC(C)(C)C,FCRNTSUSAUKSDT-UHFFFAOYSA-N
-rxn:4:180022:223748,COc1c(Cl)ccc(-c2cc(N3CCCCC3)cc(N3CCCCC3)c2)c1C1OCCO1,BTNACINZZIDSAO-UHFFFAOYSA-N
-rxn:4:180394:222514,COc1ccc(-c2cc(C3CCCO3)ccc2C2CC2)cc1S(=O)(=O)NC1CCCCC1,SKDTYZMVLMOZKX-UHFFFAOYSA-N
-rxn:4:180699:223671,COC(=O)C1OCCc2c(-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)cccc21,BCBNPKYIXQQTFM-UHFFFAOYSA-N
-rxn:4:180815:225192,COc1ccc(-c2cc(OC3CCCCC3)ncc2F)cc1C12CC3CC(CC(C3)C1)C2,FZLVBIKEUAUQRM-UHFFFAOYSA-N
-rxn:4:182210:223532,CCC1Oc2ccc(-c3cc(F)cc(CN4CCN(C(=O)OC(C)(C)C)CC4)c3)cc2C1=O,QLJFKECGPUPFHC-UHFFFAOYSA-N
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-rxn:4:183218:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3ccc4c(c3)C(F)C(C)(C)S4(=O)=O)cc21,ROHQOJSIMVFLDR-UHFFFAOYSA-N
-rxn:4:183273:227112,Cc1cc(C2CC2)c(Cl)cc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,PVQWAPFABYQQEQ-UHFFFAOYSA-N
-rxn:4:183273:227730,Cc1nn(-c2nccs2)cc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,IUBWHRWMEFWFTN-UHFFFAOYSA-N
-rxn:4:183274:227705,COc1cc(C(F)F)ncc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCOCCO2,OIONYOIBCCBMDA-UHFFFAOYSA-N
-rxn:4:183274:228717,Cc1nn(C2CC2)cc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCOCCO2,VWKNWEBRTSPASE-UHFFFAOYSA-N
-rxn:4:183274:228923,CSc1ccnc(F)c1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCOCCO2,KEOZOKICYMIHPP-UHFFFAOYSA-N
-rxn:4:183585:222636,COC(=O)C(C(=O)OC)c1cc(-c2ccc([C@@H](C)NC(=O)OC(C)(C)C)cc2)ccc1[N+](=O)[O-],PYAZICFVNLFMTJ-CQSZACIVSA-N
-rxn:4:183591:223502,CCOC(=O)C(C)Oc1ccc(-c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c(F)c2)cc1[N+](=O)[O-],IAHVOCZIWGOXBX-UHFFFAOYSA-N
-rxn:4:183605:222623,CCC(C)c1cc(-c2cc([N+](=O)[O-])c(C(=O)OC)cc2OCC2CC2)cc(C2CCNCC2)n1,UYXNAIVDJSXETO-UHFFFAOYSA-N
-rxn:4:183605:222645,COC(=O)c1cc(OCC2CC2)c(-c2cccc(OCCN3CCC(O)CC3)c2)cc1[N+](=O)[O-],RPKMCTTVCXTQDU-UHFFFAOYSA-N
-rxn:4:183605:223951,COC(=O)c1cc(OCC2CC2)c(-c2ccc(OCCN3CCN(C)CC3)c(F)c2)cc1[N+](=O)[O-],DWFNIIGPYNAIBJ-UHFFFAOYSA-N
-rxn:4:183605:224244,COC(=O)c1cc(OCC2CC2)c(-c2ccc(Cl)c(C(=O)N3CCC(C)CC3)c2)cc1[N+](=O)[O-],MOBMZBLSZOSPNA-UHFFFAOYSA-N
-rxn:4:183641:225727,CCOC(=O)c1ccc(OC)c(-c2cccc(OCCC(=O)ON3C(=O)CCC3=O)c2)c1,MLHLBMGWCWBQCX-UHFFFAOYSA-N
-rxn:4:183695:225286,CC(C)(C)OC(=O)c1cnc(F)cc1-c1cc(OC(F)(F)F)ccc1OCC(=O)N1CCCC1,VALRJXCGLJTNSB-UHFFFAOYSA-N
-rxn:4:183743:222588,CCCCOc1cc(-c2ccc(OCCN3CCC(O)CC3)c(F)c2)ccc1C(=O)N1CCC1,ZIWDAGKYPQUVLZ-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:4:183818:224188,CC(C)N(C(=O)c1ccc(-c2ccccc2CN(C(=O)OC(C)(C)C)C2CC2)c(Cl)c1)C(C)C,VBBKBXKXLUJFHY-UHFFFAOYSA-N
-rxn:4:183819:225377,CCN(C(=O)OC(C)(C)C)c1cc(OC)cc(-c2ccc(OC(F)F)c(C(F)(F)F)c2)c1,GZDAUHDHEQDLKM-UHFFFAOYSA-N
-rxn:4:183820:224488,CC(C)N(C(=O)c1ccc(-c2ccc(OCC(C)(C)C(=O)OC(C)(C)C)nc2)cc1)C(C)C,AVENOWDCRFUESA-UHFFFAOYSA-N
-rxn:4:183823:225129,CC(C)(C)OC(=O)c1ccc(-c2ccc(Cl)c(CN(C(=O)OC(C)(C)C)C3CC3)c2)c(F)c1,JZHDSHYYWVBAHP-UHFFFAOYSA-N
-rxn:4:183830:224845,CC(C)(C)OC(=O)N(Cc1ccc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)cc1F)C1CC1,JAYLTYXSXNLESA-UHFFFAOYSA-N
-rxn:4:183834:225311,CC(C)(C)OC(=O)N(C1CC1)S(=O)(=O)c1ccccc1-c1cc(C(F)(F)F)c(C2CC2)cc1Cl,MRKOBTZVRWCFTF-UHFFFAOYSA-N
-rxn:4:183834:226847,CSc1ncc(C(F)(F)F)cc1-c1ccccc1S(=O)(=O)N(C(=O)OC(C)(C)C)C1CC1,XALWFFVAORNQBJ-UHFFFAOYSA-N
-rxn:4:183865:222888,COC(=O)CN1CCCC(COc2ccccc2-c2ccc(CN3CCNCC3)c(Cl)c2)C1,RHGHQBBESHYRCH-UHFFFAOYSA-N
-rxn:4:183877:223788,CC(C)(C)OC(=O)N1CC(COc2cccc(Cl)c2-c2ccc(OC3CN(C(=O)OC(C)(C)C)C3)cc2)C1,LGDLTJPQHOYKIL-UHFFFAOYSA-N
-rxn:4:183877:223939,CC(C)(C)OC(=O)N1CC(COc2cccc(Cl)c2-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CCO3)C1,OBGFZLHXOLWFSE-UHFFFAOYSA-N
-rxn:4:183880:222827,CC(C)(C)OC(=O)N1CC(COc2ccc(-c3cc(F)c(S(=O)(=O)NC4CC4)cc3F)cc2F)C1,AAGBKHZLNPLSCQ-UHFFFAOYSA-N
-rxn:4:183900:225916,COC(=O)c1cc(OC)c(F)c(-c2cc(F)ccc2CN(C(=O)OC(C)(C)C)C(C)C)c1,FNDWXIDKMZXXDN-UHFFFAOYSA-N
-rxn:4:183915:223695,CC1CCN(CCOc2ccc(OC(F)(F)F)cc2-c2cccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)CC1,RPNZUYPMTGHCEY-UHFFFAOYSA-N
-rxn:4:183915:228467,COC(=O)c1cc(-c2cc(OC(F)(F)F)ccc2OCCN2CCC(C)CC2)c(F)s1,DCMKPJJEWJYXSL-UHFFFAOYSA-N
-rxn:4:183928:223896,COc1cccc(-c2ccc(C(C)N(C(=O)OC(C)(C)C)C3CC3)cc2)c1C(=O)N(C(C)C)C(C)C,FNSRQJNCTAPQLA-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:4:183929:223556,Cc1ccc(-c2ccc3c(c2)c2ccccc2n3C(=O)OC(C)(C)C)cc1CN(C(=O)OC(C)(C)C)C1CC1,WIXQMYCDANAARK-UHFFFAOYSA-N
-rxn:4:183963:225105,CCN(CC)C(=O)c1ccc(-c2c(C)cccc2OCC2CN(C(=O)OC(C)(C)C)C2)cc1F,VAWSNSJMUNBTKZ-UHFFFAOYSA-N
-rxn:4:183964:225952,COC(=O)c1cc(OCCN2CCC(C)CC2)cc(-c2cnc(N3CCOCC3)nc2C)c1,GECGYZDQLCODSE-UHFFFAOYSA-N
-rxn:4:183969:222702,CCOC(=O)C1CCN(S(=O)(=O)c2ccc(-c3cc(C4CCCNC4)ccc3C(F)(F)F)c(OC)c2)CC1,OTYVZXUJXYFCKP-UHFFFAOYSA-N
-rxn:4:183969:224246,CCOC(=O)C1CCN(S(=O)(=O)c2ccc(-c3ccc(C(=O)N4CCC(C)CC4)c(F)c3)c(OC)c2)CC1,YPFNIAKZLQRPHJ-UHFFFAOYSA-N
-rxn:4:183969:225827,CCOC(=O)C1CCN(S(=O)(=O)c2ccc(-c3ccnc(N4CCN(C)CC4)c3)c(OC)c2)CC1,IKVYGAKIXGIRQB-UHFFFAOYSA-N
-rxn:4:183983:224271,Cc1ccc(-c2cc3cccnc3n2C(=O)OC(C)(C)C)cc1CN(C(=O)OC(C)(C)C)C(C)C,DOCCHAQUNFOYAS-UHFFFAOYSA-N
-rxn:4:184018:226481,COc1ccc(-c2ccccc2OCC2CCN(C(=O)OC(C)(C)C)CC2)cc1OCC#N,JRFZTXOTPJVTHH-UHFFFAOYSA-N
-rxn:4:184054:224489,CC(C)CS(=O)(=O)C1CCN(C(=O)Cc2ccc(-c3cc(F)ccc3CN(C(C)C)C(C)C)cc2)CC1,QTOJCVRUJPHZOP-UHFFFAOYSA-N
-rxn:4:184092:226892,CC(C)(C)c1ccc(C(=O)N(Cc2ccc(-c3cc(F)cc(C(F)(F)F)c3Cl)o2)C2CCS(=O)(=O)C2)cc1,SUYQZMHAZDPEDQ-UHFFFAOYSA-N
-rxn:4:184093:224485,CC(C)c1ccc(CN(C(=O)c2ccc(-c3ccn([Si](C(C)C)(C(C)C)C(C)C)c3)cc2)C2CCS(=O)(=O)C2)cc1,IOAPHPHNWGDAIJ-UHFFFAOYSA-N
-rxn:4:184094:222813,CC(C)c1ccc(CN(C(=O)c2ccccc2-c2cnc(NC(=O)OC(C)(C)C)c(Cl)c2)C2CCS(=O)(=O)C2)cc1,FYPDLZRZIIUPCN-UHFFFAOYSA-N
-rxn:4:184098:227735,Cc1ncc(-c2cccc(CN(C(=O)c3ccc(C(C)(C)C)cc3)C3CCS(=O)(=O)C3)c2)cc1C(F)(F)F,TZTWUNJNHVJFFM-UHFFFAOYSA-N
-rxn:4:184099:227339,COC(=O)c1cc(C)ccc1-c1ccc(C(C)N(C(=O)OC(C)(C)C)C2CCC(C)(C)CC2)cc1,DQDRXHQVLXONQV-UHFFFAOYSA-N
-rxn:4:184167:224970,CC(C)(C)OC(=O)N(Cc1ccc2cc(-c3ccc(S[Si](C)(C)C(C)(C)C)cc3)ccc2c1)C1CC1,VIJAQKISRMINEN-UHFFFAOYSA-N
-rxn:4:184181:223774,COc1cccc2c1cc(-c1ccc(CN(C(=O)OC(C)(C)C)C(C)C)c3ccccc13)n2C(=O)OC(C)(C)C,ARZPYOZQFHDHPS-UHFFFAOYSA-N
-rxn:4:184211:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3ccc(-c4cc(C(=O)OC(C)C(=O)c5ccccc5)c5cccc(C)c5n4)cc3)cc21,JYQQLBCZFCOFRQ-UHFFFAOYSA-N
-rxn:4:184220:224188,CC(=O)c1c(C)oc2ccc(N(C(=O)c3ccc(C)cc3)S(=O)(=O)c3ccc(-c4ccc(C(=O)N(C(C)C)C(C)C)cc4Cl)cc3)cc12,UYAODNMESGTNAX-UHFFFAOYSA-N
-rxn:4:184222:227068,CC(C)Cc1ccc(-c2ccc(CN(C(=O)OC(C)(C)C)C3CCCCC3)c3ccccc23)c(F)c1,SXZYPFLMQLYMJT-UHFFFAOYSA-N
-rxn:4:184328:223754,CCOC(=O)CC(=O)c1ncccc1-c1ccc(OCCCN2CCC(C)CC2)c(Cl)c1,AGIXJYQLOXPMNB-UHFFFAOYSA-N
-rxn:4:184328:223785,CCOC(=O)CC(=O)c1ncccc1-c1ccc(OCCN2CCN(CC)CC2)c(Cl)c1,SSAWGMYPJPPHLS-UHFFFAOYSA-N
-rxn:4:184367:223904,CCOC(=O)Cc1cc(F)c(-c2cccc(C3CN(C(=O)OC(C)(C)C)C3)c2)cc1C#N,MVYCOJRETSKRNN-UHFFFAOYSA-N
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-rxn:4:184721:223503,CCOc1cc(C(=O)N(C)OC)cc(-c2c(F)cc(OC3CCN(C(=O)OC(C)(C)C)CC3)cc2F)c1,BFFUILGCNRQLGN-UHFFFAOYSA-N
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-rxn:4:184739:224594,CC(=O)N1CCCCC1c1ccccc1-c1cc(C(F)(F)F)ccc1OCC(=O)N1CCC1,IRWOPQQUJVIJJV-UHFFFAOYSA-N
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-rxn:4:185022:224490,Fc1cccc(-c2ccccc2OCCN2CCCCC2)c1OCCCN1CCCCC1,KHNUWACZUZYHTQ-UHFFFAOYSA-N
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-rxn:4:185145:222848,CCOC(=O)C1CCCN(S(=O)(=O)c2ccc(-c3cc(CC)nc(C4CCCNC4)c3)cc2)C1,KOCVGPLEBVVAAF-UHFFFAOYSA-N
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-rxn:4:185154:226746,CCc1cnc(C(F)(F)F)cc1-c1ccc(C(=O)OC)c(CN2CCCC(C(F)(F)F)C2)c1,AYVISRLFYRMTMV-UHFFFAOYSA-N
-rxn:4:185154:227475,CCOC(=O)c1cncc(-c2ccc(C(=O)OC)c(CN3CCCC(C(F)(F)F)C3)c2)c1,OCTOJBSECNNRJC-UHFFFAOYSA-N
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-rxn:4:185161:224290,CC(C)(C)OC(=O)N1CC(c2ccc(C(F)(F)F)cc2-c2ccc(Cl)cc2OCCN2CCOCC2)C1,UGOMSLOYWSAUCN-UHFFFAOYSA-N
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-rxn:4:185165:226750,COc1ccc(C(F)(F)F)cc1-c1ccc(C(F)(F)F)c(C2CN(C(=O)OC(C)(C)C)C2)c1,WSPXGTYTAYTTKW-UHFFFAOYSA-N
-rxn:4:185186:224254,CC1CCN(CCCOc2ccc(-c3ccc(F)c(C(=O)N4CCCC(C)C4)c3)cc2)CC1,FUQVQYSPTKEQOT-UHFFFAOYSA-N
-rxn:4:185197:223520,Cc1ccc(-c2ccc(C(C)N3CCN(C(=O)OC(C)(C)C)CC3)cc2)cc1OC1CN(C(=O)OC(C)(C)C)C1,XRZNJGVFMIDHLZ-UHFFFAOYSA-N
-rxn:4:185202:223527,COc1cc(-c2ccc(F)cc2CN2CCN(C(=O)OC(C)(C)C)CC2)ccc1C1CN(C(=O)OC(C)(C)C)C1,HWBIFQNWEJFNIL-UHFFFAOYSA-N
-rxn:4:185202:223673,COc1cc(-c2cccc(COc3cc(C(F)(F)F)ccc3Cl)c2)ccc1C1CN(C(=O)OC(C)(C)C)C1,FUHNYAWKAKLOQJ-UHFFFAOYSA-N
-rxn:4:185243:224275,CC(C)CN(C(=O)c1ccc(-c2nn(C(=O)OC(C)(C)C)c3ccccc23)cc1)C1CCS(=O)(=O)C1,NUZBALDAICPHNW-UHFFFAOYSA-N
-rxn:4:185243:226836,CC(C)CN(C(=O)c1ccc(-c2cn(C(C)C)nc2C(F)(F)F)cc1)C1CCS(=O)(=O)C1,JOMMHXZRKOHJTG-UHFFFAOYSA-N
-rxn:4:185270:222466,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3cc(C4CCCCC4)nc(C4CCNCC4)c3)cc2C(F)(F)F)C1,VQUPTUIYVAIOHD-UHFFFAOYSA-N
-rxn:4:185289:225991,CC(C)Cn1nc(C(F)(F)F)cc1-c1cccc(CN(C(=O)c2ccccc2F)C2CCS(=O)(=O)C2)c1,XVPBACLLOYINOG-UHFFFAOYSA-N
-rxn:4:185295:224792,CC(C)CSc1ncc(C(F)(F)F)cc1-c1ccc(C(=O)N(Cc2cccc(F)c2)C2CCS(=O)(=O)C2)cc1,CGYMILROAVAPPO-UHFFFAOYSA-N
-rxn:4:185301:224247,Cc1ccc(-c2ccc(C(=O)N3CCC(C)CC3)cc2F)cc1OCCCN1CCC(C)CC1,GVKBKOHJMWJERV-UHFFFAOYSA-N
-rxn:4:185306:226139,CCOc1cc(S(=O)(=O)N(C)C2CCCCC2)ccc1-c1cc(C2CC2)cnc1C1CC1,LKUFJPHQVZUURJ-UHFFFAOYSA-N
-rxn:4:185307:226437,CCCOc1cc(S(=O)(=O)N2CCCC(C)C2)ccc1-c1cc(C2CCCC2)ncc1F,GNAYQZXQYIBKKH-UHFFFAOYSA-N
-rxn:4:185315:222499,Cc1ccc(S(=O)(=O)NCc2ccccc2)cc1-c1ccc(C2CC2)c(C2CN(C(=O)OC(C)(C)C)C2)c1,ZHQSLVBDBXYTJN-UHFFFAOYSA-N
-rxn:4:185315:223648,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc(C4CC4)c(C4CN(C(=O)OC(C)(C)C)C4)c3)cc2)CC1,QMTRBPJKXJHJFR-UHFFFAOYSA-N
-rxn:4:185321:223106,CC(C)(C)OC(=O)N1CCC(Oc2ccc(Cl)c(-c3cnc(N4CCC(O)C4)nc3Cl)c2)CC1,BHBUOFUKMJVPMT-UHFFFAOYSA-N
-rxn:4:185323:222415,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3ccc(F)c(S(N)(=O)=O)c3)cc2F)CC1,NYAHDPWIUBLTTA-UHFFFAOYSA-N
-rxn:4:185323:225574,COC(=O)c1cc(C2CC2)ccc1-c1ccc(OC2CCN(C(=O)OC(C)(C)C)CC2)c(F)c1,QOVGMQQOZDBIGV-UHFFFAOYSA-N
-rxn:4:185375:228237,CC(C)CS(=O)(=O)C1CCN(S(=O)(=O)c2ccccc2-c2cnc(Cl)c(C(C)C)c2)CC1,OAYHQTAPVUOEKI-UHFFFAOYSA-N
-rxn:4:185376:224822,CC(C)CS(=O)(=O)C1CCCN(S(=O)(=O)c2ccccc2-c2cc(-c3cncs3)cc(C(F)(F)F)c2)C1,ZWRCRGVUSIHRCA-UHFFFAOYSA-N
-rxn:4:185379:223889,CC(C)(C)OC(=O)N1CCC(C(F)(F)c2cccc(-c3cccc4c3CN(C(=O)OC(C)(C)C)CC4)c2)CC1,WXRFWOOJRRIIMJ-UHFFFAOYSA-N
-rxn:4:185382:222928,Cc1nc(N2CCC(O)CC2)ncc1-c1ccc(C(F)(F)F)c(C2CCN(C(=O)OC(C)(C)C)CC2)c1,WPCDOMWYASUVKW-UHFFFAOYSA-N
-rxn:4:185407:225901,COc1ccc(C2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1cn(C(=O)OC(C)(C)C)nc1C,ZJNPQSNEFYSNCI-UHFFFAOYSA-N
-rxn:4:185408:223884,CC(C)(C)OC(=O)N1CCc2cc(-c3ccc(C4CC4)c(C4CCN(C(=O)OC(C)(C)C)C4)c3)ccc2C1,FARFFOOQPFZCPX-UHFFFAOYSA-N
-rxn:4:185412:223574,CC(C)(C)OC(=O)N1CCN(Cc2cccc(-c3cc(C4CCN(C(=O)OC(C)(C)C)C4)ccc3C3CC3)c2)CC1,AGBGPNODVOATFF-UHFFFAOYSA-N
-rxn:4:185423:225294,CCN1CCN(c2ncc(-c3cc(C4CC4)cc(C4CN(C(=O)OC(C)(C)C)CCO4)c3)cn2)CC1,JHHQUKAWESVMNN-UHFFFAOYSA-N
-rxn:4:185428:226524,CCOC(=O)c1ccc(-c2cc(C(C)(C)C)ccc2OCC(=O)N2CCC(C)CC2)c(F)c1,CNZYPHSNCZZQMP-UHFFFAOYSA-N
-rxn:4:185438:227339,COC(=O)c1cc(C)ccc1-c1ccc(S(=O)(=O)N2CCC(O[Si](C)(C)C(C)(C)C)CC2)cc1,XPSCTCMRYMKODG-UHFFFAOYSA-N
-rxn:4:185440:223201,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3ccccc3C3CCNC3)c(F)c2)CC1,ZBLDVSYYISRROZ-UHFFFAOYSA-N
-rxn:4:185441:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2ccc(C3(c4ccc(Cl)cc4)CCN(C(=O)OC(C)(C)C)CC3)cc2)cc1,JVQZWCCHNVKIQW-UHFFFAOYSA-N
-rxn:4:185483:222604,COc1ccc(-c2ccc(F)c(OCCCN3C(=O)c4ccccc4C3=O)c2)cc1S(=O)(=O)NC1CCCC1,DTEYUZLKRGKKON-UHFFFAOYSA-N
-rxn:4:185491:222519,CON=CC(C)C(=O)c1ccc2c(-c3cc(C(F)(F)F)ccc3NC(=O)OC(C)(C)C)c(OC)ccc2c1,MAFIHFBIRSFAMB-UHFFFAOYSA-N
-rxn:4:185494:222539,COC(=O)c1ccc2c(c1)c(-c1ccc3c(c1)CC(NC(=O)OC(C)(C)C)C3)cn2C(=O)OC(C)(C)C,FVXRDVOSJWCXHH-UHFFFAOYSA-N
-rxn:4:185496:222636,COC(=O)c1cn(C(=O)OC(C)(C)C)c2ccc(-c3ccc([C@@H](C)NC(=O)OC(C)(C)C)cc3)cc12,NCDZDMYTNGYTLV-QGZVFWFLSA-N
-rxn:4:185516:223992,Cc1ccc(-c2ccc(OCCCN3C(=O)C(=O)c4cccc(C)c43)cc2)cc1S(=O)(=O)N1CCN(C)CC1,YKACFBTWSAHWBU-UHFFFAOYSA-N
-rxn:4:185557:222843,Cc1ccc(-c2cc(F)c(OC(C)(C)C)c3ccn(C(=O)OC(C)(C)C)c23)c(C(=O)NC(C)(C)C)c1,VRTAVFNTIYJOSD-UHFFFAOYSA-N
-rxn:4:185557:224268,CC(C)(C)OC(=O)n1ccc2c(OC(C)(C)C)c(F)cc(-c3ccc4c(cnn4C(=O)OC(C)(C)C)c3)c21,XSIWWGPLDJBCSU-UHFFFAOYSA-N
-rxn:4:185561:223568,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(Cl)c(-c3ccc(CN(C(=O)c4cc5ccccc5oc4=O)C4CCS(=O)(=O)C4)o3)cnc21,DISLVUFEVTTYHD-UHFFFAOYSA-N
-rxn:4:185584:224485,CC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2cccc(CN(C(=O)c3cc4ccccc4oc3=O)C3CCS(=O)(=O)C3)c2)c1,GQVQVYSVPTVUDC-UHFFFAOYSA-N
-rxn:4:185586:223697,COc1ccc(OC)c(C2SCCN2C(=O)c2cc3cc(-c4ccc(S(=O)(=O)N5CCCCC5)cc4C(F)(F)F)ccc3oc2=O)c1,KPZWIIYJMNOCGD-UHFFFAOYSA-N
-rxn:4:185614:222833,COc1ccc(CCC(=O)N2CCCC3(C2)OC(=O)c2ccccc23)cc1-c1cccc(NC(=O)CCC(C)C)c1,YFTZAADWXXDXLE-UHFFFAOYSA-N
-rxn:4:185648:227014,CC(C)CSc1cccc(-c2ccc(S(=O)(=O)N(C(=O)C3CCCCC3)c3ccc4oc5c(c4c3)CCCC5)cc2)c1,BOSPBOOTYFKOLE-UHFFFAOYSA-N
-rxn:4:185648:227029,CC(C)(C#N)c1ccccc1-c1ccc(S(=O)(=O)N(C(=O)C2CCCCC2)c2ccc3oc4c(c3c2)CCCC4)cc1,JTAAWHFWOWYTOT-UHFFFAOYSA-N
-rxn:4:185772:223598,NOCCOc1ccc(-c2ccc(OCCN3CCC4(CC3)OCCO4)c(F)c2)cc1F,SBHCULFWYRVNBV-UHFFFAOYSA-N
-rxn:4:186155:222514,COc1ccc(-c2cc([N+](=O)[O-])ccc2OCC2CC2)cc1S(=O)(=O)NC1CCCCC1,QWPMLRPEQLSMGT-UHFFFAOYSA-N
-rxn:4:186329:222389,CN(C)CCOc1c(F)cc(Cl)cc1-c1cc(C2CCNCC2)nc(C2CCNCC2)c1,ORYKNCADABXDBC-UHFFFAOYSA-N
-rxn:4:186580:223597,CCC(C)c1cc(-c2ccc(OCCN3CCC4(CC3)OCCO4)c(Cl)c2)c(C(=O)OC)cn1,GFXIUWKROILQLE-UHFFFAOYSA-N
-rxn:4:186580:223753,CCC(C)c1cc(-c2ccc(C)c(OCCCN3CCN(C)CC3)c2)c(C(=O)OC)cn1,VCIMEJDLIMPTLN-UHFFFAOYSA-N
-rxn:4:186646:223506,COc1ccccc1Oc1ccc(-c2cccc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1[N+](=O)[O-],CCRXPLKCUWSNHE-UHFFFAOYSA-N
-rxn:4:186713:224321,CC1CCN(S(=O)(=O)c2cccc(-c3ccc(OCC(=O)N4CCCC4)c(F)c3)c2)CC1,XYIHQEDQYBWHNV-UHFFFAOYSA-N
-rxn:4:186750:222945,CC(C)NS(=O)(=O)c1ccc(-c2cc(OC(F)F)cc(C(=O)N3CCC(F)(F)C3)c2)cc1F,SWKRHYWLVOUTDK-UHFFFAOYSA-N
-rxn:4:186751:222639,C[C@H](NC(=O)OC(C)(C)C)c1ccc(-c2ccc(N(C(=O)C(F)(F)F)C3C=CS(=O)(=O)C3)cc2)cc1,KIRKKNHOEIHZEJ-BJQOMGFOSA-N
-rxn:4:186865:222639,C[C@H](NC(=O)OC(C)(C)C)c1ccc(-c2ccc(N(C)C(=O)OC(C)(C)C)cc2Cl)cc1,BUNFHTAFZUOHIK-INIZCTEOSA-N
-rxn:4:186868:224174,CCN(C(=O)OC(C)(C)C)c1ccc(-c2cc(C(C)(C(=O)OC)N(C)C)ccc2F)cc1,GVPDVIPCLBVRDY-UHFFFAOYSA-N
-rxn:4:186910:223822,CC(C)(C)COC(=O)c1ccc(C(F)(F)F)cc1-c1ccc(C(F)(F)F)cc1/C=N/S(=O)C(C)(C)C,XEPMMOVETHWNIC-JJKQSNDFSA-N
-rxn:4:186958:224125,Cc1ccc(-c2ccc(CN3CCN(C4CC4)CC3)cc2)c(OCC(=O)N2CCCC2)c1,YMHPRYUJJJVUNV-UHFFFAOYSA-N
-rxn:4:186970:223972,COC[C@@H]1CCCN1C(=O)c1ccc(-c2ccc(N3CCCCC3C)cc2C(F)(F)F)cc1,ZXGJTARYHWICSZ-YSYXNDDBSA-N
-rxn:4:187000:223542,COC(=O)C1CCN(S(=O)(=O)c2ccc(-c3ccc(OC(F)(F)F)c(S(=O)(=O)N4CCN(C)CC4)c3)cc2)C1,MSXMCZJHLCXNIO-UHFFFAOYSA-N
-rxn:4:187090:224835,COC(=O)C1CC(C#N)(c2cccc(-c3cc(C(F)(F)F)nn3S(=O)(=O)N(C)C)c2)CCC1=O,GUFHBOXIAMYYJL-UHFFFAOYSA-N
-rxn:4:187104:222638,Cc1ccc(-c2cccc(C(C)NC(=O)OC(C)(C)C)c2)cc1N(C)C(=O)OC(C)(C)C,JRTNMIJYVDOEAU-UHFFFAOYSA-N
-rxn:4:187104:224834,Cc1ccc(-c2cn(S(=O)(=O)N(C)C)nc2C(F)(F)F)cc1N(C)C(=O)OC(C)(C)C,PXNZWZJHRVFBDH-UHFFFAOYSA-N
-rxn:4:187110:222707,CC(C)N(C(C)C)S(=O)(=O)c1ccc(-c2ccnc(CNC(=O)OC(C)(C)C)c2F)cc1,NQBIYCXRHIJEEZ-UHFFFAOYSA-N
-rxn:4:187120:224765,COC(=O)C1CCCCN1C(=O)c1cccc(-c2cc(C(F)(F)F)ccc2N2CCCC2)c1,YEWNGRPSTPAUTC-UHFFFAOYSA-N
-rxn:4:187146:223644,CCOC(=O)C1CCCN(C(=O)c2ccc(-c3ccc(F)cc3CC(=O)N3CCCC(C(F)(F)F)C3)cc2)C1,SMEGFIYMZKYOKQ-UHFFFAOYSA-N
-rxn:4:187181:224649,CC1CCCN(C(=O)COc2cccc(-c3cc(F)ccc3OCC3CCCCO3)c2)C1,FQPNHJGVUWZHOU-UHFFFAOYSA-N
-rxn:4:187185:224566,COC(=O)C1(C)CCN(Cc2ccc(-c3ccc(C4(C(=O)OC)CCCC4)cc3)cc2)C1,ICBNKANZKHAFCB-UHFFFAOYSA-N
-rxn:4:187190:223499,CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(-c3cccc(C4CN(C(=O)OC(C)(C)C)C4)c3)ccc2Cl)CC1,LCGFIOIKCNGHAF-UHFFFAOYSA-N
-rxn:4:187197:222537,COC(=O)c1ccc(-c2cc(C3CCCC3)nc(C3CCCNC3)c2)cc1CN1CCCCC1,ROHLKAIDXXCXHD-UHFFFAOYSA-N
-rxn:4:187206:222823,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc(C3CN(C(=O)OC(C)(C)C)C3)cc2Cl)c(F)c1,PHOXVIVXBALUIG-UHFFFAOYSA-N
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-rxn:4:187221:223818,CC(C)(C)OC(=O)N1CC(c2ccc(F)cc2-c2c(F)cc(F)c3c2ccn3C(=O)OC(C)(C)C)C1,XAPVVPFEMIPGSW-UHFFFAOYSA-N
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-rxn:4:187250:225061,COC(=O)c1ccc(-c2ccc(N3CCC(C)CC3)cc2F)c(CN2CCCC(F)(F)C2)c1,CLSPMCOYPMEGLW-UHFFFAOYSA-N
-rxn:4:187299:224160,Cc1ccc(C(=O)N(C(C)C)C(C)C)cc1-c1ccc2c(c1)CCN2C(=O)OC(C)(C)C,PISWSIWUWXQWNG-UHFFFAOYSA-N
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-rxn:4:187318:223753,COC(=O)c1ccc(-c2ccc(C)c(OCCCN3CCN(C)CC3)c2)c(CN2CCOC(C)C2)c1,XHNGUOVCCPXLLG-UHFFFAOYSA-N
-rxn:4:187321:223593,CCOc1cccc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c(Cl)c2)c1CN1CCCC(F)(F)C1,RKALFNIDDMCYRT-UHFFFAOYSA-N
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-rxn:4:187405:225264,COC(=O)c1ccc(-c2ccc(OCC(=O)N3CCC(C)CC3)cc2C)cc1C(=O)OC,NCRHDBLVZJKKIK-UHFFFAOYSA-N
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-rxn:4:187416:224502,CN1CCCCC1COc1cccc(-c2ccccc2C2CCCN2C(=O)OC(C)(C)C)c1,UAINRPVPHCLLOE-UHFFFAOYSA-N
-rxn:4:187431:222604,COC(=O)c1cc(CN2CCCCC2C)cc(-c2ccc(OC)c(S(=O)(=O)NC3CCCC3)c2)c1,XKOHZZBZGXHGAK-UHFFFAOYSA-N
-rxn:4:187437:223648,Cc1ccc(C2CN(C(=O)OC(C)(C)C)C2)c(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2)c1,XKJVOOUTCDTQIT-UHFFFAOYSA-N
-rxn:4:187444:222945,CC(C)NS(=O)(=O)c1ccc(-c2ccc(C3CCCN3C(=O)OC(C)(C)C)c(F)c2)cc1F,LTNLQEVREYWENU-UHFFFAOYSA-N
-rxn:4:187485:225348,CCOc1cc(S(=O)(=O)N2CCCC(C)C2)ccc1-c1cc(C(F)(F)F)ccc1C(=O)OC,XXPSXSZDTKZMKJ-UHFFFAOYSA-N
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-rxn:4:187561:226030,COc1c(F)cc(-c2ccc(Cl)c(C(=O)N3CCC(S(=O)(=O)C(C)(C)C)C3)c2)cc1C(F)(F)F,DBSKDPNYQZPZSU-UHFFFAOYSA-N
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-rxn:4:187561:226847,CSc1ncc(C(F)(F)F)cc1-c1ccc(Cl)c(C(=O)N2CCC(S(=O)(=O)C(C)(C)C)C2)c1,IMNUFEMZXPQJBR-UHFFFAOYSA-N
-rxn:4:187561:227124,CC(C)(C)c1ccc(-c2ccc(Cl)c(C(=O)N3CCC(S(=O)(=O)C(C)(C)C)C3)c2)c(F)c1,VTHBQEXEFLWGDK-UHFFFAOYSA-N
-rxn:4:187569:222959,Cc1ccc(OCC(=O)N2C(C)CCCC2C)c(-c2ccc(C3CCNCC3)c(C)c2)c1,YYKLGOCBOQGWFC-UHFFFAOYSA-N
-rxn:4:187592:223823,CC(C)(C)OC(=O)N1CCC(c2ccc(F)c(-c3cnn(C4CCN(C(=O)OC(C)(C)C)CC4)c3)c2)CC1,FZPJWPFVKXCXCL-UHFFFAOYSA-N
-rxn:4:187628:225313,CCOc1cc(S(=O)(=O)N2CC(C)CC(C)C2)ccc1-c1ccc(N2CCN(C)CC2)nc1F,QVHXQTZLHQVWGD-UHFFFAOYSA-N
-rxn:4:187656:225382,CCN(C1CCCCC1)S(=O)(=O)c1cc(C)c(-c2cc(C(F)(F)F)ccc2C(F)(F)F)cc1C,RHUKPZPHWQGBEJ-UHFFFAOYSA-N
-rxn:4:187658:224077,CCN(C1CCCCC1)S(=O)(=O)c1cc(-c2cn([Si](C)(C)C(C)(C)C)c3ccccc23)c(C)cc1C,CVRGNXBOELAQQM-UHFFFAOYSA-N
-rxn:4:187658:224744,CCN(C1CCCCC1)S(=O)(=O)c1cc(-c2cc(Cl)c(C(=O)OC(C)(C)C)cc2F)c(C)cc1C,LOWMMVFNSKEIRG-UHFFFAOYSA-N
-rxn:4:187658:226038,CCN(C1CCCCC1)S(=O)(=O)c1cc(-c2cc(F)c(C(F)(F)F)cc2OC)c(C)cc1C,VQEQQLCEXAFVQH-UHFFFAOYSA-N
-rxn:4:187662:222639,Cc1cc(-c2ccc([C@H](C)NC(=O)OC(C)(C)C)cc2)cc(C2CCN(C(=O)OC(C)(C)C)CC2)c1,NCENJZVTCCYTJA-NRFANRHFSA-N
-rxn:4:187665:223937,CC1CN(C(=O)OC(C)(C)C)CCC1c1cccc(-c2cc3cccc(Cl)c3n2C(=O)OC(C)(C)C)c1,ISWMRDVSHDIWNV-UHFFFAOYSA-N
-rxn:4:187665:224624,CC1CN(C(=O)OC(C)(C)C)CCC1c1cccc(-c2cc(Cl)ccc2C(=O)OCC(C)(C)C)c1,HSDBFYGDMZLAAK-UHFFFAOYSA-N
-rxn:4:187667:225593,Cc1c(-c2cc(F)cc(CN3CCCC3)c2)cccc1C1CCCN(C(=O)OC(C)(C)C)C1,QXDZUGHHSOCOAN-UHFFFAOYSA-N
-rxn:4:187670:223671,CC1CN(C(=O)OC(C)(C)C)CCC1c1cc(Cl)cc(-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)c1,QUGAQBFVIBSWTE-UHFFFAOYSA-N
-rxn:4:187670:224653,CC1CN(C(=O)OC(C)(C)C)CCC1c1cc(Cl)cc(-c2ccc(Cl)cc2OCC2CCCCO2)c1,RUWRUAJKZANUOX-UHFFFAOYSA-N
-rxn:4:187670:226327,CC1CN(C(=O)OC(C)(C)C)CCC1c1cc(Cl)cc(-c2ccc(C3(C#N)CC3)cc2Cl)c1,IVBFCEGTFDXZLC-UHFFFAOYSA-N
-rxn:4:187847:224321,CC1CCN(S(=O)(=O)c2cccc(-c3cc4c(cc3C(F)F)N(C(=O)OC(C)(C)C)CC4)c2)CC1,MIYDYFFDSGICPJ-UHFFFAOYSA-N
-rxn:4:187909:223939,CC(C)N(C(=O)c1ccc2cc(-c3ccc4c(c3)N(C(=O)OC(C)(C)C)CCO4)ccc2c1)C(C)C,QBTLPQQYGWPWFG-UHFFFAOYSA-N
-rxn:4:187918:225287,COc1cc(-c2cc(Cl)ncc2C(=O)OC(C)(C)C)cc2c1OCCN(C(=O)OC(C)(C)C)C2,AWUVOSCILKCVCL-UHFFFAOYSA-N
-rxn:4:187942:222797,Cc1ccc(S(=O)(=O)NC(C)(C)C)c(-c2cccc3c2cc([Si](C)(C)C)n3C(=O)OC(C)(C)C)c1,VTASJEGROLTFLV-UHFFFAOYSA-N
-rxn:4:187951:222606,Cc1cc(S(=O)(=O)Oc2ccc(Cl)c3cccnc23)c(C(C)C)cc1-c1cccc(C(F)(F)F)c1C(=O)NC(C)(C)C,WBZFVRPXDPJDAO-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:4:187962:225108,CCN(CC)C(=O)c1ccc(-c2cc(F)c3c(c2)C(C)(C)N(Cc2ccc(OC)cc2OC)C3=O)c(F)c1,REVMKDLRIWZKIH-UHFFFAOYSA-N
-rxn:4:187968:224168,CCN(C(=O)OC(C)(C)C)c1cccc(-c2ccc3c(ccn3[Si](C(C)C)(C(C)C)C(C)C)c2)c1,SRVKVWSPFRNXJL-UHFFFAOYSA-N
-rxn:4:187968:224174,CCN(C(=O)OC(C)(C)C)c1ccc(-c2ccc3c(ccn3[Si](C(C)C)(C(C)C)C(C)C)c2)cc1,URQJSVJRBCNMFR-UHFFFAOYSA-N
-rxn:4:187969:224301,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3cc(O[Si](C)(C)C(C)(C)C)cc(F)c3F)cccc21,MVAWSZZOWJINRG-UHFFFAOYSA-N
-rxn:4:187973:225156,O=C(c1ccc(F)c(-c2ccccc2C(=O)N2C3CCC2CC(S(=O)(=O)c2ccccc2)C3)c1)N1CCCC1,AULXQZQSJTVYBE-UHFFFAOYSA-N
-rxn:4:188495:223559,COC(=O)c1cc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)c(C(F)(F)F)nc1Cl,YROUKGKDYRYLMI-UHFFFAOYSA-N
-rxn:4:188499:222825,CC(C)(C)NS(=O)(=O)c1ccc(Cl)cc1-c1cc(C(F)(F)F)c(C(F)(F)F)cc1[N+](=O)[O-],OTHLHEUFEDAASC-UHFFFAOYSA-N
-rxn:4:188872:223559,CON(C)C(=O)c1cc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)ccc1Cl,BIVDYTMAZNIPPL-UHFFFAOYSA-N
-rxn:4:189381:224834,CN(C)S(=O)(=O)c1cc(C(F)(F)F)ccc1-c1cn(S(=O)(=O)N(C)C)nc1C(F)(F)F,VBVOXBUXKXPTNE-UHFFFAOYSA-N
-rxn:4:189867:222524,O=S(=O)(c1ccc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC(O)CC2)c(C(F)(F)F)c1)N1CCCC1,HLRPMBUXUXCMEP-UHFFFAOYSA-N
-rxn:4:189935:223489,COC(=O)c1cc(-c2ccc(S(=O)(=O)N3CCC(O[Si](C)(C)C(C)(C)C)CC3)cc2)ccc1N1CCOCC1,BDOUQPKYOAHBSS-UHFFFAOYSA-N
-rxn:4:189992:222519,CN(C(C)(C)C)S(=O)(=O)c1ccc(-c2cc(C(F)(F)F)ccc2NC(=O)OC(C)(C)C)cc1,PLJMWXULZZJFJT-UHFFFAOYSA-N
-rxn:4:190105:223897,COC(=O)c1cnc(C2CCCCC2)cc1-c1ccc(C)c(OCCCN2CCOCC2)c1,OHLLZDKEIIYLSI-UHFFFAOYSA-N
-rxn:4:190166:223832,COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1-c1ccc(S(=O)(=O)N2CCCCC2)cc1C(F)(F)F,QGTIGMJNDFBZAJ-UHFFFAOYSA-N
-rxn:4:190166:226019,O=S(=O)(c1ccc(-c2ccc(F)cc2OCC(F)(F)F)c(C(F)(F)F)c1)N1CCCCC1,AARLYGOZQAUNFW-UHFFFAOYSA-N
-rxn:4:190168:225061,COC(=O)c1cc(F)c(N2CCC(F)(F)CC2)cc1-c1ccc(N2CCC(C)CC2)cc1F,NERBJOPEKKZOND-UHFFFAOYSA-N
-rxn:4:190199:224010,COc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1ccc(Cl)cc1CN(C)C1CCOCC1,NEOWFKFTNJDBKN-UHFFFAOYSA-N
-rxn:4:190213:223481,COc1ccc(S(=O)(=O)N2CCCCC2)cc1-c1ccc(S(=O)(=O)N2CCC(O[Si](C)(C)C(C)(C)C)CC2)cc1F,QAINGONMAVRVES-UHFFFAOYSA-N
-rxn:4:190214:222630,COc1cc(S(=O)(=O)N2CCCCC2)ccc1-c1cc(C2CCC2)nc(C2CCNCC2)c1,DXXKFHBGBXEYCL-UHFFFAOYSA-N
-rxn:4:190253:224321,CC1CCN(S(=O)(=O)c2cccc(-c3ccc(C(=O)N(C)C4CCCCC4)cc3)c2)CC1,QYXSDWSOTVOOBW-UHFFFAOYSA-N
-rxn:4:190268:224420,Cc1cc2c(cc1-c1ccc(CC(=O)N3CCCC(C)C3)cc1F)C(C)(C)CCC2(C)C,CYJWVHIWHVSTFB-UHFFFAOYSA-N
-rxn:4:190315:223689,CCN1CCN(S(=O)(=O)c2cc(-c3cc(CCN4CCC(C)CC4)ccc3F)ccc2OC)CC1,IJNSXCIDCGKBJA-UHFFFAOYSA-N
-rxn:4:190321:224170,COc1cc(-c2ccc(OCCCN3CCCC3)c(Cl)c2)ccc1C(=O)N1CCCC(C)C1,DEXCVCSBCUSCNG-UHFFFAOYSA-N
-rxn:4:190322:222742,CCS(=O)(=O)N1CCC(c2ccc(-c3cc(C4CCNCC4)nc(C4CC4)c3)cc2)CC1,MPRILYLLWIOREQ-UHFFFAOYSA-N
-rxn:4:190330:223557,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc(C4CCCN4S(=O)(=O)C(C)C)cc3)c(F)ccc21,LKNGZVJIGWZNHQ-UHFFFAOYSA-N
-rxn:4:190330:224488,CC(C)N(C(=O)c1ccc(-c2ccc(C3CCCN3S(=O)(=O)C(C)C)cc2)cc1)C(C)C,FVDOFNAAEYOWMA-UHFFFAOYSA-N
-rxn:4:190355:222985,Cc1nc(C2CCCNC2)ccc1-c1cc(C(F)(F)F)cc(S(=O)(=O)N2CCC(C)CC2)c1,KWINCGDMUPLHLW-UHFFFAOYSA-N
-rxn:4:190379:224481,COc1cc(S(=O)(=O)N2CCCC(C)C2)ccc1-c1ccc(OCCCN2CCCC2)cc1,JZVAUMIYLBAQEH-UHFFFAOYSA-N
-rxn:4:190411:224254,Cc1cc(CC(=O)N2CCC(C)CC2)ccc1-c1ccc(F)c(C(=O)N2CCCC(C)C2)c1,UVZXSCANZRYOFC-UHFFFAOYSA-N
-rxn:4:190426:224719,CC(C)c1nn(C(=O)OC(C)(C)C)cc1-c1ccc(C2CCN(S(=O)(=O)C(C)C)CC2)cc1,PKOROLKDZJPSBQ-UHFFFAOYSA-N
-rxn:4:190803:222523,CC(C)(C)NS(=O)(=O)c1ccc(-c2cn(C(=O)OC(C)(C)C)c3c(F)cccc23)c(C(F)(F)F)c1,UATWTWGTWNBYKH-UHFFFAOYSA-N
-rxn:4:190817:224421,COC(=O)CN1C(=O)C(C)(C)c2cc(-c3c(C(C)C)cc(C(C)C)cc3C(C)C)ccc21,UOSFCVFJWLFVIT-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:4:190847:222537,CC(C)(C)OC(=O)N1CCc2scc(-c3cc(C4CCCC4)nc(C4CCCNC4)c3)c2C1,KTVPSRKKSIUJMC-UHFFFAOYSA-N
-rxn:4:190861:222638,CC(NC(=O)OC(C)(C)C)c1cccc(-c2cc3c(cc2F)N(C(=O)OC(C)(C)C)CC3)c1,VBJRMSIVSRKHJE-UHFFFAOYSA-N
-rxn:4:190926:223937,CC(C)(C)OC(=O)N1CCC(=O)c2ccc(-c3cc4cccc(Cl)c4n3C(=O)OC(C)(C)C)cc21,BPGCZCOCCXOMPL-UHFFFAOYSA-N
-rxn:4:190926:225899,Cc1cc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CCC3=O)n(C(=O)OC(C)(C)C)n1,BIKBPJYEESJKKH-UHFFFAOYSA-N
-rxn:4:190927:222825,CC(C)(C)NS(=O)(=O)c1ccc(Cl)cc1-c1ccc2c(c1)CCN(C(=O)OC(C)(C)C)C2=O,GYPAGCBJISVZAK-UHFFFAOYSA-N
-rxn:4:190932:222791,CC(C)(C)OC(=O)Nc1ccc(Cl)c(-c2ccc3c(c2)C(=O)CN(C(=O)OC(C)(C)C)C3)c1,IHCXQUIHSHEAEW-UHFFFAOYSA-N
-rxn:4:190932:223888,CC(C)(C)OC(=O)N1CC(=O)c2cc(-c3ccc4c(c3)N(C(=O)OC(C)(C)C)CCC4)ccc2C1,PGCYONQGHUWUBX-UHFFFAOYSA-N
-rxn:4:190934:222825,CC(C)(C)NS(=O)(=O)c1ccc(Cl)cc1-c1ccc2c(c1)C(=O)N(C(=O)OC(C)(C)C)CC2,YMUUGJNIBLORAY-UHFFFAOYSA-N
-rxn:4:190957:222823,CC(C)(C)NS(=O)(=O)c1ccc(-c2cccc3c2CCCN3C(=O)OC(C)(C)C)c(F)c1,MXPYKMLWBFTRTO-UHFFFAOYSA-N
-rxn:4:190957:224485,CC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2cccc3c2CCCN3C(=O)OC(C)(C)C)c1,SJHPPCWWXGRSSE-UHFFFAOYSA-N
-rxn:4:190958:224174,CCN(C(=O)OC(C)(C)C)c1ccc(-c2cccc3c2N(C(=O)OC(C)(C)C)CCC3)cc1,PNWNPLRTVIDGCN-UHFFFAOYSA-N
-rxn:4:190964:222823,CC(C)(C)NS(=O)(=O)c1ccc(-c2cc(F)c3c(c2)CCN(C(=O)OC(C)(C)C)C3)c(F)c1,OQQBUZZFGVPQHA-UHFFFAOYSA-N
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-rxn:4:202328:228631,COC1CCN(C2CCN(S(=O)(=O)c3ccccc3-c3ccsc3C3CCC3)CC2)CC1,NIQGROKXTROAOC-UHFFFAOYSA-N
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-rxn:4:203702:225605,Cc1cnc(OC2CCCC2)c(-c2cnc(C(=O)N3CCCC(C(F)(F)F)C3)c(Cl)c2)c1,IVPXBOCQPXHPKI-UHFFFAOYSA-N
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-rxn:4:204108:222700,O=C(c1cncc(-c2ccc(C(F)(F)F)cc2C2CCCNC2)c1)N1CCC(c2ccccc2)S(=O)(=O)CC1,MBXAKMOJRLLDGI-UHFFFAOYSA-N
-rxn:4:204113:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(CN2CCCCC2)c(N2CCCC2)c1,FZGKSRLUBZAQBY-UHFFFAOYSA-N
-rxn:4:204126:224376,Cc1c(Cl)cccc1N1CCN(S(=O)(=O)c2ccc(-c3cccc(S(=O)(=O)N4CCN(C)CC4)c3)cc2)CC1,PTODPYVFHBOSHK-UHFFFAOYSA-N
-rxn:4:204159:223696,Cc1cc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c(C)cc1-c1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1,QZWTZQFEABVXSB-UHFFFAOYSA-N
-rxn:4:204168:223136,CC1CCN(Cc2ccc(-c3ccncc3C3CCCNC3)cc2N2CCOCC2)CC1,DSISZMLMMQRLQF-UHFFFAOYSA-N
-rxn:4:204169:226182,CC1CN(Cc2ccc(-c3cccnc3C3CCCCC3)cc2N2CCCCC2)CCO1,SHQSWKSGQHENGL-UHFFFAOYSA-N
-rxn:4:204169:226183,CC1CN(Cc2ccc(-c3cnccc3C3CCCCC3)cc2N2CCCCC2)CCO1,PSXMQKOZLCQZAB-UHFFFAOYSA-N
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-rxn:4:204183:222853,Cc1ccc(N2CCN(S(=O)(=O)c3cc(C)c(C)cc3-c3ccc(CN4CCC(O)CC4)cc3)CC2)c(C)c1,RFKIZZPIYJHLES-UHFFFAOYSA-N
-rxn:4:204184:222846,Cc1cc(C)c(S(=O)(=O)N2CCN(c3cccc(Cl)c3C)CC2)c(C)c1-c1cc(C2CCCNC2)ccc1C#N,LOIXRSMFOREYRY-UHFFFAOYSA-N
-rxn:4:204472:223637,CC(C)(C)OC(=O)N1CCCC(c2ccccc2-c2cn(C(=O)OC(C)(C)C)c3cnc(Cl)cc23)C1,DSXGRGNPRMAEQM-UHFFFAOYSA-N
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-rxn:4:204601:223507,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccccc2-c2cnc3c(c2)CN(C(=O)OC(C)(C)C)CC3)CC1,ZNKJVUYHDKEJRJ-UHFFFAOYSA-N
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-rxn:4:204643:225327,CCCOc1ncc(C(F)(F)F)cc1-c1cncc(C(=O)N2C3CCC2CC(SC)C3)c1,DTYKYFSJTVQKFH-UHFFFAOYSA-N
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-rxn:4:204700:223598,O=C(c1ccc(-c2ccc(OCCN3CCC4(CC3)OCCO4)c(F)c2)o1)N1CC(N2C(=O)C3CC=CCC3C2=O)C1,CZDREKLKWNUDCK-UHFFFAOYSA-N
-rxn:4:204700:226309,CCOC(=O)c1cc(C)cc(-c2ccc(C(=O)N3CC(N4C(=O)C5CC=CCC5C4=O)C3)o2)c1,OBCBQFSOTWFNEP-UHFFFAOYSA-N
-rxn:4:204705:226589,CC(C)c1cnc(C(F)F)cc1-c1ccc(N2C(=NC(=O)C3CC3)SC3CS(=O)(=O)CC32)c(Cl)c1,XBMUEDDPVALKST-UHFFFAOYSA-N
-rxn:4:204723:223079,CC(C)NS(=O)(=O)c1cccc(-c2ccc(N3C(=NC(=O)C(C)C)SC4CS(=O)(=O)CC43)cc2)c1,VREHJMZKHPSUJB-UHFFFAOYSA-N
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-rxn:4:206684:223712,COc1ccc(-c2nc(CN3CCCCC3)ccc2F)cc1C12CC3CC(CC(C3)C1)C2,MCDGVMWSYJARAD-UHFFFAOYSA-N
-rxn:4:206706:222584,CC1CN(C(=O)c2cncc(-c3ccc(OCCCN4CCNCC4)c(F)c3)c2)CCO1,CSSXKLJIFGMHRN-UHFFFAOYSA-N
-rxn:4:206959:224018,CS(=O)(=O)N1CCN(c2cccc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCOCC3)c2)CC1,SKYBPMMPFYVHNV-UHFFFAOYSA-N
-rxn:4:207028:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3cccc(C4CCCN(C(C)C)C4)n3)c2)CC1,WOUFJWGIUXHKJV-UHFFFAOYSA-N
-rxn:4:207069:222538,CN1CCN(c2cc(C3CC3)ccc2-c2cc(C3CCCC3)nc(C3CCNCC3)c2)CC1,SWFNFJJCSLDAJM-UHFFFAOYSA-N
-rxn:4:207081:224759,CC1(C)OCC2(CO1)CN(C(=O)c1cncc(-c3cc(F)cc(C(=O)N4CCOCC4)c3)c1)C2,SXNNDFPBPDYWMQ-UHFFFAOYSA-N
-rxn:4:207241:223489,CC(=O)On1nc(-c2ccc(S(=O)(=O)N3CCC(O[Si](C)(C)C(C)(C)C)CC3)cc2)c2ccc(Cl)cc21,OBNSTIHYRQMTKH-UHFFFAOYSA-N
-rxn:4:207447:223992,Cc1ccc(-c2cncc(C(=O)N3CC4CC3CS4)c2)cc1S(=O)(=O)N1CCN(C)CC1,CPYAQNUMXVCHKI-UHFFFAOYSA-N
-rxn:4:207575:223712,CCn1ncc(-c2ccc(OC)c(C34CC5CC(CC(C5)C3)C4)c2)c1C12CCCCC1O2,TTZBWGXFMMMWSA-UHFFFAOYSA-N
-rxn:4:207747:223134,CC(=O)N=C1SC2CS(=O)(=O)CC2N1c1ccc(-c2cnccc2C2CCCNC2)cc1,NBFQZRBBMRHAAQ-UHFFFAOYSA-N
-rxn:4:207747:223671,CC(=O)N=C1SC2CS(=O)(=O)CC2N1c1ccc(-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1,RSKAKBODRTUPKU-UHFFFAOYSA-N
-rxn:4:207747:223835,CC(=O)N=C1SC2CS(=O)(=O)CC2N1c1ccc(-c2cc(S(=O)(=O)N3CCC(C)CC3)c(C)cc2F)cc1,GAAGEKWOGLYXNX-UHFFFAOYSA-N
-rxn:4:207826:224609,CC(C)N(C(=O)c1ccncc1-c1ccc(N2C(=O)N(c3ccccc3Cl)C3CS(=O)(=O)CC32)cc1)C(C)C,BSVBTGJCDRNJTP-UHFFFAOYSA-N
-rxn:4:207854:225294,CCN1CCN(c2ncc(-c3ccc4c(c3)CCN4C3CCN(C4CCC4)CC3)cn2)CC1,KJHASKXQYGWIJU-UHFFFAOYSA-N
-rxn:4:207959:226139,Cc1ccc(C2=NN3C(C2)c2cc(-c4cc(C5CC5)cnc4C4CC4)ccc2OC3C2CCCCC2)cc1,QHDZNTOXYRGRCT-UHFFFAOYSA-N
-rxn:4:210970:223490,Cc1ccc(-c2cnn(C)c2C23CC(C)(C)CC2O3)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,CLBPWAJICDLYLD-UHFFFAOYSA-N
-rxn:4:211089:222875,CC(C)(C)NC(=O)c1ccc(F)c(-c2ccc3c(c2)N2CCCCCC2=C(C#N)S3(=O)=O)c1,RZVMCKBXJFLQDZ-UHFFFAOYSA-N
-rxn:4:211089:223866,CC1(C)CCCC(C)(C)N1Cc1ccccc1-c1ccc2c(c1)N1CCCCCC1=C(C#N)S2(=O)=O,YEXQDCGFLAASJF-UHFFFAOYSA-N
-rxn:4:211100:225683,Cc1nc(C2CCCOC2)ccc1-c1ccc2c(c1)C1CC(c3ccc(Cl)cc3)=NN1C1(CCC(C)CC1)O2,ISUBKEACUQEZTN-UHFFFAOYSA-N
-rxn:4:211101:222928,Cc1ccc(C2=NN3C(C2)c2cc(-c4cnc(N5CCC(O)CC5)nc4C)ccc2OC32CCC(C)CC2)cc1,PXWRKBVSPLBVPX-UHFFFAOYSA-N
-rxn:4:212542:224187,CCOCC(=O)N1CCCC(Oc2ncc(-c3ccc(OCCN4CCCCC4)cc3F)cn2)C1,PYAMJPNAMZYHAE-UHFFFAOYSA-N
-rxn:4:212593:223080,CC(C)NS(=O)(=O)c1ccc(-c2ccc(C(=O)N(C)C3CN(C(=O)OC(C)(C)C)C3)cn2)cc1,CZAPIJOQXIZNBH-UHFFFAOYSA-N
-rxn:4:212593:223929,CN(C(=O)c1ccc(-c2cnc3c(c2)CCN(C(=O)OC(C)(C)C)C3)nc1)C1CN(C(=O)OC(C)(C)C)C1,RMYZXWRSPISZNH-UHFFFAOYSA-N
-rxn:4:212616:223692,O=C(OCC(=O)N1CCN(c2ccccc2F)CC1)c1cncc(-c2cc(OCc3cccnc3)c(Cl)cc2C(F)(F)F)c1,RNQSXZGQAFWZTK-UHFFFAOYSA-N
-rxn:4:212639:224720,CC(C)(C)OC(=O)N1CCN(C(=O)Cc2cncc(-c3cn(C(=O)OC(C)(C)C)nc3C3CC3)c2)CC1,NBUVEQDJEHUFSX-UHFFFAOYSA-N
-rxn:4:212648:222928,Cc1nc(N2CCC(O)CC2)ncc1-c1cn(C)nc1OCC1CCN(C(=O)OC(C)(C)C)CC1,GTQWPCRSDQFCBM-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:4:212648:223791,COc1ccc(N(C)C(=O)c2ccc(-c3cn(C)nc3OCC3CCN(C(=O)OC(C)(C)C)CC3)cn2)cc1,PTZSHOJKWNXHPL-UHFFFAOYSA-N
-rxn:4:212648:226865,Cn1cc(-c2ccc(Cl)c(OC(F)(F)F)c2)c(OCC2CCN(C(=O)OC(C)(C)C)CC2)n1,ZGNAMEHPFLXUNJ-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:4:212653:223382,COC(=O)c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)c(-c2cnc(NC3CC3)nc2)n1,NHWYIQCIYINYCN-UHFFFAOYSA-N
-rxn:4:212653:223637,COC(=O)c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)c(-c2ccccc2C2CCCN(C(=O)OC(C)(C)C)C2)n1,KVMKNTZGPWBKOC-UHFFFAOYSA-N
-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:4:212658:225876,COC(=O)c1ncc(-c2cc(Cl)ccc2N2CCOCC2)cc1N1CCN(C(=O)OC(C)(C)C)CC1,JCTHREUQDJEVJK-UHFFFAOYSA-N
-rxn:4:212680:225727,CCOC(=O)c1ccc(OC)c(-c2cc(F)ccc2CC(=O)N2CCC(COc3ccc(C)nn3)CC2)c1,KMNNWWBTGJKTAF-UHFFFAOYSA-N
-rxn:4:212722:225295,Cc1ccc(S(=O)(=O)N(Cc2ccc(-c3ccccc3S(=O)(=O)N3CCCC3)cc2)C(=O)N2CCN(C)CC2)cc1,DEOBDEJCVBNSRS-UHFFFAOYSA-N
-rxn:4:212739:224290,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc(Cl)cc3OCCN3CCOCC3)cc2N2CCCCC2)CC1,HCCKRGYWPFWYTD-UHFFFAOYSA-N
-rxn:4:212740:225851,Cc1nccn1-c1cc(F)cc(-c2cc(CN3CCCCC3)cc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)c1,BZTQLBDJWBJYQU-UHFFFAOYSA-N
-rxn:4:212839:223493,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4cc(S(=O)(=O)N5CCN(C(=O)OC(C)(C)C)CC5)ccc4C)ccn23)CC1,RZLJSCUIIYRVLT-UHFFFAOYSA-N
-rxn:4:212839:223657,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4cn(S(=O)(=O)c5ccc(C)cc5)c5ccncc45)ccn23)CC1,PZNRVXVTZQJKSM-UHFFFAOYSA-N
-rxn:4:212846:223951,CC(=O)N1CCc2c(sc3nc(SCc4ccc(-c5ccc(OCCN6CCN(C)CC6)c(F)c5)cc4)n(Cc4ccco4)c(=O)c23)C1,BNOGLSYCOVJGRQ-UHFFFAOYSA-N
-rxn:4:212892:223945,CC(C)(C)OC(=O)N(c1ncc(-c2ccc(OCCCN3CCOCC3)c(F)c2)cn1)C1CC1,WXWVVCXHNUMELM-UHFFFAOYSA-N
-rxn:4:212905:223528,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3ccnc(OC4CN(C(=O)OC(C)(C)C)C4)n3)ccc2F)CC1,DRBNSXMJLRSNMZ-UHFFFAOYSA-N
-rxn:4:212905:223883,CC(C)(C)OC(=O)N1CC(Oc2nccc(-c3ccc4c(c3)CCCN4C(=O)OC(C)(C)C)n2)C1,MESCOHLJWMGLRT-UHFFFAOYSA-N
-rxn:4:212908:222824,CCOC(=O)N1CCCC(Oc2ncc(-c3cc(S(=O)(=O)NC(C)C)c(C)cc3F)cn2)C1,NLBUNQAHRPQQGG-UHFFFAOYSA-N
-rxn:4:212908:224826,CCOC(=O)c1cc(-c2cnc(OC3CCCN(C(=O)OCC)C3)nc2)cnc1C(F)(F)F,IZWNVDYVGBXKCD-UHFFFAOYSA-N
-rxn:4:212923:223884,CC(C)(C)OC(=O)N1CCc2cc(-c3ccc(C4(C#N)CN(C(=O)OC(C)(C)C)C4)nc3)ccc2C1,VBGOVGGZSOQBNT-UHFFFAOYSA-N
-rxn:4:212938:223872,CCC(=O)N1CCCC(COc2ncc(-c3cccc(C(=O)N(CC)C4CCCCC4)c3)cn2)C1,JENZLWFPCBIJHF-UHFFFAOYSA-N
-rxn:4:212966:225877,CC(C)(C)OC(=O)N1CCC(Oc2ncc(-c3ccc(Cl)cc3N3CCOCC3)cn2)C1,JEQIFYRWYGAWTJ-UHFFFAOYSA-N
-rxn:4:212966:226714,CC(C)(C)OC(=O)N1CCC(Oc2ncc(-c3ccnn3C(=O)OC(C)(C)C)cn2)C1,OEMQJRMCAMBEBJ-UHFFFAOYSA-N
-rxn:4:212979:223812,O=C(Cc1ccc(Cl)cc1)N1CCC(Oc2ncc(-c3cc(F)cc(CN4CCC5(CC4)OCCO5)c3)cn2)C1,RVWWSDHDCQZQTQ-UHFFFAOYSA-N
-rxn:4:212984:225156,O=C(c1ccc(F)c(-c2cnccc2OC2CCN(C(=O)c3ccc(C(F)(F)F)nc3)C2)c1)N1CCCC1,OAUVAQFMRFDNGS-UHFFFAOYSA-N
-rxn:4:212989:225829,CC1CCN(c2ncc(-c3ncc(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)s3)cn2)CC1,WUJMQQIXFVVOSW-UHFFFAOYSA-N
-rxn:4:213005:222584,COc1cnc(OC2CCN(C(=O)c3ccc(-c4ccc(OCCCN5CCNCC5)c(F)c4)o3)CC2)nc1,MOSSOSBKWPJTLL-UHFFFAOYSA-N
-rxn:4:213010:225947,CN1CCN(c2ncc(-c3cnn(C[C@@H]4CN(C(=O)OC(C)(C)C)CCO4)c3)cn2)CC1,KYHIRQBORPYXJD-IBGZPJMESA-N
-rxn:4:213041:223536,CC(C)(C)OC(=O)N1CCC(Oc2cnc(-c3cc(F)c(F)c(N4CCN(C(=O)OC(C)(C)C)CC4)c3)cn2)CC1,VFOAWIHEKSPPTL-UHFFFAOYSA-N
-rxn:4:213044:223505,CC(C)(C)OC(=O)N1CCC(Oc2ncc(-c3ccc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)cc3)cn2)CC1,PQGSIZYVMFESRC-UHFFFAOYSA-N
-rxn:4:213061:225210,Cc1nc(N2CCC(C)CC2)ncc1-c1ccc(S(=O)(=O)N2CCC(Oc3ncccc3C#N)CC2)cc1,JYIJQJYSTWKZKF-UHFFFAOYSA-N
-rxn:4:213062:224810,O=C(Cc1ccc(F)cc1F)N1CCC(Oc2ncc(-c3cnc(N4CCCC4)c(C(F)(F)F)c3)cn2)CC1,YEFRJOBQRFWFSD-UHFFFAOYSA-N
-rxn:4:213062:225219,CC1CCCCN1c1cc(F)c(-c2cnc(OC3CCN(C(=O)Cc4ccc(F)cc4F)CC3)nc2)cn1,CNGMFPTTZICAQI-UHFFFAOYSA-N
-rxn:4:213072:223534,CC(C)(C)OC(=O)N1CCC(Oc2cc(-c3cnn(CC4CCCN(C(=O)OC(C)(C)C)C4)c3)c(F)cn2)CC1,JNXNHLOHSFJWLB-UHFFFAOYSA-N
-rxn:4:213072:223591,CC(C)(C)OC(=O)N1CCN(c2ccc(F)c(-c3cnn(CC4CCCN(C(=O)OC(C)(C)C)C4)c3)c2)CC1,HQKAGIJVPSZHPJ-UHFFFAOYSA-N
-rxn:4:213076:224160,CC(C)N(C(C)C)S(=O)(=O)c1ccc(-n2cc(-c3ccc4c(c3)CCN4C(=O)OC(C)(C)C)cn2)cc1,NIYMZHNEYFIKSV-UHFFFAOYSA-N
-rxn:4:213100:223930,Cc1cc2c(cnn2C(=O)OC(C)(C)C)cc1-c1cn(C2CCN(C(=O)OC(C)(C)C)CC2)nc1C(F)(F)F,IKXDRXGDKRWCAW-UHFFFAOYSA-N
-rxn:4:213123:223916,CC(C)N1CCN(C(=O)c2ccc(-c3ccccc3CC(=O)N3CCN(c4ccnc(C(F)(F)F)c4)C(=O)C3)cc2)CC1,FBYJCCSVYFQOSB-UHFFFAOYSA-N
-rxn:4:213123:226792,O=C(Cc1ccccc1-c1cnc(N2CCOCC2)nc1)N1CCN(c2ccnc(C(F)(F)F)c2)C(=O)C1,ZAFRVIRDJQKJQO-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:4:213130:223696,CC(C)(C)OC(=O)N1CCN(Cc2cncc(-c3ccc(S(=O)(=O)N4CCC5(CC4)OCCO5)cc3)c2)CC1,FBTCEHFYTQBIEJ-UHFFFAOYSA-N
-rxn:4:213134:224592,CCC(C)(C)C(=O)N1CCC(Oc2ncc(-c3cc(C4(C#N)CCCCC4)ccc3F)cn2)CC1,GOTUKGYGENTBTB-UHFFFAOYSA-N
-rxn:4:213147:223170,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cncc(-c3cnc(C4CCCNC4)nc3)c2)CC1,JQHKLVVCGIKSAX-UHFFFAOYSA-N
-rxn:4:213184:225172,Cc1cnc(OC2CCN(C(=O)Cc3ccc(F)cc3-c3cc(CN4CCOCC4)ccc3F)CC2)nc1,BZCHLVRAPQAZCA-UHFFFAOYSA-N
-rxn:4:213213:223594,CN(c1cccc(-c2cc(Cl)cc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)n1)C1CCN(C(=O)OC(C)(C)C)CC1,BTJVVSHWJMLOLX-UHFFFAOYSA-N
-rxn:4:213217:225979,CCN1CCN(c2ncc(-c3cnc(N4CCOCC4)c(Cl)c3)cc2C(=O)OC(C)(C)C)CC1,UUSKXSNAWSTRCY-UHFFFAOYSA-N
-rxn:4:213218:222426,C[C@H]1CN(Cc2ccc(-c3ccc4c(c3)C3(CCN(C(=O)OC(C)(C)C)CC3)C(=O)N4)cn2)CCN1C(=O)OC(C)(C)C,SWNOHZCOWLVYRB-QFIPXVFZSA-N
-rxn:4:213218:224624,C[C@H]1CN(Cc2ccc(-c3cc(Cl)ccc3C(=O)OCC(C)(C)C)cn2)CCN1C(=O)OC(C)(C)C,ROSMGQPGNNCPQV-IBGZPJMESA-N
-rxn:4:213226:224125,CC(C)(C)OC(=O)N1CCC[C@H]1c1ncc(-c2cccc(-c3ccc(CN4CCN(C5CC5)CC4)cc3)c2)[nH]1,RJBMDHZMBOLXMM-LJAQVGFWSA-N
-rxn:4:213228:223562,CC1CN(S(=O)(=O)c2cncc(-c3ccc(CC4CCN(C(=O)OC(C)(C)C)CC4)cc3)c2)CCN1C(=O)OC(C)(C)C,VFWLAMIXQLXJOE-UHFFFAOYSA-N
-rxn:4:213268:225313,C[C@H]1C[C@@H](c2nc(-c3ccc(-c4ccc(N5CCN(C)CC5)nc4F)cc3)c[nH]2)N(C(=O)OC(C)(C)C)C1,WPLZEPOQMGBXTH-CYFREDJKSA-N
-rxn:4:213289:226003,COC(=O)c1ccc([N+](=O)[O-])cc1-c1cnc(C(C)(C)C)nc1C1CCN(C(=O)OC(C)(C)C)CC1,WJBCRZIHWMQXGS-UHFFFAOYSA-N
-rxn:4:213289:226421,CC(C)(C)OC(=O)N1CCC(c2nc(C(C)(C)C)ncc2-c2ccc(Cl)cc2N2CCCC2)CC1,SRVVWLJNFHYOTO-UHFFFAOYSA-N
-rxn:4:213320:223201,COC(=O)c1nc(-c2ccccc2C2CCNC2)n2c1CN(C(=O)OC(C)(C)C)CC2,SNKQJMLLKSHPIG-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:4:213388:224713,CCCCOc1ccc(-c2ccnc3c2ccn3CC2CCN(C(=O)OC(C)(C)C)CC2)c(C(F)(F)F)c1,IZHRBJQERSLFLF-UHFFFAOYSA-N
-rxn:4:213395:223841,Cc1cc(F)c(-c2ccc3ccn(CC(=O)N4CCN(S(=O)(=O)c5ccc(F)cc5)CC4)c3c2)cc1S(=O)(=O)N1CCN(C)CC1,FRJQONWBWQNAMB-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:4:213488:223592,COC(=O)CCc1nc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2Cl)n[nH]1,GVDBAPOIMRFKKK-UHFFFAOYSA-N
-rxn:4:213494:223646,COC(=O)C(C#N)c1ncc(-c2ccc(OC3CCN(C(=O)OC(C)(C)C)C3)cc2)cn1,OFZJDVLULCCEAL-UHFFFAOYSA-N
-rxn:4:213604:224646,CCS(=O)(=O)N1CCC(Oc2ncc(-c3ccc(OC4CCOCC4)c(C#N)c3)cn2)C1,JTDPPMYIXNOSOQ-UHFFFAOYSA-N
-rxn:4:213642:223602,CC(C)(C)OC(=O)c1cn(-c2ccc(Cl)cc2-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2Cl)nn1,DLUATFMSASKUJK-UHFFFAOYSA-N
-rxn:4:213664:224371,CCC(=O)N1CCC(Oc2ncc(-c3cnc(N4CCC(C(=O)OC)CC4)nc3)cn2)CC1,OYHZASKHFAVHPK-UHFFFAOYSA-N
-rxn:4:213672:222886,CCOC(=O)N1CCN(c2ncc(Cl)cc2-c2ccc(N3CCNCC3)cc2C#N)CC1,NBMAFGTUOHOIEI-UHFFFAOYSA-N
-rxn:4:213672:224718,CCOC(=O)N1CCN(c2ncc(Cl)cc2-c2ccc(OCCN3CCOCC3)nc2)CC1,MWADVIUHICQLCB-UHFFFAOYSA-N
-rxn:4:213713:223937,CC(C)(C)OC(=O)N1CCC[C@H]1c1ncc(-c2cc3cccc(Cl)c3n2C(=O)OC(C)(C)C)[nH]1,IQFPLDNOWQJGBS-SFHVURJKSA-N
-rxn:4:213713:225210,Cc1nc(N2CCC(C)CC2)ncc1-c1cnc([C@@H]2CCCN2C(=O)OC(C)(C)C)[nH]1,TURXNLDAXUCKFD-IBGZPJMESA-N
-rxn:4:213720:224371,COC(=O)C1CCN(c2ncc(-c3ccnn3C3CCN(C(=O)OC(C)(C)C)C3)cn2)CC1,CNJQRKTZQRWWRH-UHFFFAOYSA-N
-rxn:4:213778:223558,CCN1CCN(c2ccc(-c3ccc4c(c3)CCN(C(=O)OCc3ccccc3)C4)c(C(=O)OC)n2)CC1,YFKLWWSFXADWGY-UHFFFAOYSA-N
-rxn:4:213798:225975,CC(C)(C)OC(=O)N1CCOC(c2cnc(-c3ccnc(N4CCOCC4)c3Cl)cn2)C1,JBFCPIVJPPBRGC-UHFFFAOYSA-N
-rxn:4:213799:224759,CC(C)(C)OC(=O)N1CCOC(c2cc(-c3cc(F)cc(C(=O)N4CCOCC4)c3)ncn2)C1,PXAISLTYKFKQNI-UHFFFAOYSA-N
-rxn:4:213805:224718,CC(C)(C)OC(=O)N1CCOC(c2ncc(-c3ccc(OCCN4CCOCC4)nc3)cn2)C1,ZPLRLFGMSHHYKU-UHFFFAOYSA-N
-rxn:4:213805:225436,CC(C)(C)OC(=O)N1CCOC(c2ncc(-c3ccc(CN4CCCCC4)cc3)cn2)C1,GELFBZVGCHCHIO-UHFFFAOYSA-N
-rxn:4:213843:223638,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cccc(C4CCCN(C(=O)OC(C)(C)C)C4)c3)ccn2)C(=O)C1,APCMKTQXPYMPBO-UHFFFAOYSA-N
-rxn:4:213843:223885,CC(C)(C)OC(=O)N1CCN(c2cc(-c3ccc4c(c3)CN(C(=O)OC(C)(C)C)CC4)ccn2)C(=O)C1,OGIMXHUABOZCPA-UHFFFAOYSA-N
-rxn:4:213868:223993,Cc1cc(-c2cnc(OC3CCCN(S(=O)(=O)c4cccc(Cl)c4)C3)nc2)ccc1S(=O)(=O)N1CCN(C)CC1,BMOFVUBRTHALFR-UHFFFAOYSA-N
-rxn:4:213874:224502,CN1CCCCC1COc1cccc(-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)c1,IESVJDAKDMXPKB-UHFFFAOYSA-N
-rxn:4:213880:225976,CC(C)(C)OC(=O)N1CCN(c2cnccc2-c2ccnc(N3CCOCC3)c2F)CC1,WDWVHCAWVBPTLG-UHFFFAOYSA-N
-rxn:4:213883:226539,CCOC(=O)c1ccc(Cl)cc1-c1sc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1C,HQTCDIXTRWDIPA-UHFFFAOYSA-N
-rxn:4:213888:223556,CC(C)(C)OC(=O)N1CCCC(c2cncc(-c3ccc4c(c3)c3ccccc3n4C(=O)OC(C)(C)C)n2)C1,BKEDSDXIZQPAFM-UHFFFAOYSA-N
-rxn:4:213888:225767,CC(C)COc1c(F)cc(-c2cncc(C3CCCN(C(=O)OC(C)(C)C)C3)n2)cc1F,OCECKFDKRGVBOS-UHFFFAOYSA-N
-rxn:4:213897:222634,CC(C)(C)OC(=O)N1CCN(c2ccncc2-c2ccc(OCCNC3CCCC3)c(F)c2)CC1,FNGHKNLOJOVPMJ-UHFFFAOYSA-N
-rxn:4:213904:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cncc(C(=O)N4CCN(Cc5ccccc5)CC4)c3)ccn2)CC1,PSMAEDJXVKRRFH-UHFFFAOYSA-N
-rxn:4:213928:222630,Cc1nccc(OC2CCCN(C(=O)c3ccccc3-c3cc(C4CCC4)nc(C4CCNCC4)c3)C2)n1,SFGHQIYRTUXZSG-UHFFFAOYSA-N
-rxn:4:213928:223835,Cc1nccc(OC2CCCN(C(=O)c3ccccc3-c3cc(S(=O)(=O)N4CCC(C)CC4)c(C)cc3F)C2)n1,MXWCAUDRCMSKTM-UHFFFAOYSA-N
-rxn:4:213970:223529,Cc1ccc(S(=O)(=O)N2CCC(Oc3ncc(-c4ccc(CN5CCN(C(=O)OC(C)(C)C)CC5)c(F)c4)cn3)CC2)cc1,GLNLXBZHEDNRAO-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:4:214014:223684,O=C(c1cncc(-c2cc(OCc3cccnc3)ccc2OC(F)(F)F)c1)N1CCCSCC1CN1CCCC1,AOLUWABIADAOQC-UHFFFAOYSA-N
-rxn:4:214021:222621,Cc1cc(C)nc(OC2CCCN(C(=O)c3ccccc3-c3cc(CC(C)C)nc(C4CCCNC4)c3)C2)n1,SROWAURWRRWCDF-UHFFFAOYSA-N
-rxn:4:214038:224391,Cc1ccc(S(=O)(=O)N2CCCC(Oc3ncc(-c4ccc(S(=O)(=O)N5CCOCC5)cc4C)cn3)C2)cc1C,CWXWSEXPKRSKBF-UHFFFAOYSA-N
-rxn:4:214065:225278,COC(=O)c1ccc(C(=O)OC)c(-c2ccc(C(=O)n3nc(C)c(S(=O)(=O)N4CCC(C)CC4)c3C)cc2)c1,IVSNCOIKJXNOGS-UHFFFAOYSA-N
-rxn:4:214065:225350,COC(=O)c1cc(C(F)(F)F)ccc1-c1ccc(C(=O)n2nc(C)c(S(=O)(=O)N3CCC(C)CC3)c2C)cc1,RLMGUGYDQIZLKN-UHFFFAOYSA-N
-rxn:4:214065:225570,COC(=O)c1ccc(C2CC2)c(-c2ccc(C(=O)n3nc(C)c(S(=O)(=O)N4CCC(C)CC4)c3C)cc2)c1,IPUOOSLCOMXEBM-UHFFFAOYSA-N
-rxn:4:214183:223527,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)ccc2-c2ccc3c(C4CN(C(=O)OC(C)(C)C)C4)ncn3c2)CC1,LWDOSQXQFCMFHF-UHFFFAOYSA-N
-rxn:4:214183:223649,CC(C)(C)OC(=O)N1CCN(c2cccc(-c3ccc4c(C5CN(C(=O)OC(C)(C)C)C5)ncn4c3)c2)CC1,JEHPROLTFBBLTM-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:4:214220:223536,CC(C)(C)OC(=O)N1CCN(c2cc(-c3ccc4[nH]c(C5CCCN5C(=O)OC(C)(C)C)nc4c3)cc(F)c2F)CC1,DHPOKCBVWVGGEQ-UHFFFAOYSA-N
-rxn:4:214273:224651,CC(C)(C)OC(=O)N1CCC(n2cnc3ccc(-c4c(F)cccc4O[Si](C)(C)C(C)(C)C)cc32)CC1,QRCDIQDBDGOULR-UHFFFAOYSA-N
-rxn:4:214347:223997,Cc1cc(-c2ccc3c(c2)sc(=NC(=O)c2ccc(S(=O)(=O)N4CCCCC4)cc2)n3C)cc(C)c1S(=O)(=O)N1CCOCC1,LMSSOIIVKXWZPJ-UHFFFAOYSA-N
-rxn:4:214449:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2cnc(Cl)nc2N(C(C)=O)C(C)=O)CC1,IPEAFSDQSWXWQG-UHFFFAOYSA-N
-rxn:4:214630:222622,CCC(C)c1cc(-c2c(C3CC3)n[nH]c2C(=O)N2CCOCC2)cc(C2CCCNC2)n1,PCJZKEGVXGIWDA-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:4:214711:224325,CCS(=O)(=O)N1CCN(c2ccc(-c3ccc(C4=CCN(S(C)(=O)=O)CC4)cc3)cn2)CC1,MAVFULXLROKXIT-UHFFFAOYSA-N
-rxn:4:214787:224290,O=C1CN(S(=O)(=O)c2ccc(-c3ccc(Cl)cc3OCCN3CCOCC3)cc2)CCN1c1ccccn1,BVEHJOZAVMYNSB-UHFFFAOYSA-N
-rxn:4:214802:223028,CCCNC(=O)c1ccc(F)c(-c2cccnc2N2CCOC(C(=O)N3CCCC3)C2)c1,FXWZPXULFWPGLM-UHFFFAOYSA-N
-rxn:4:214819:226088,CCN(CC)Cc1ccc(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCCC3)C2)cc1,AJSHLKRJIQDGJU-UHFFFAOYSA-N
-rxn:4:214830:223670,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2ccc(N3CCOC(C(=O)N4CCSCC4)C3)nc2)CC1,WUUVDRMZIGLJKL-UHFFFAOYSA-N
-rxn:4:214835:223598,O=C(C1CN(c2ncc(Cl)cc2-c2ccc(OCCN3CCC4(CC3)OCCO4)c(F)c2)CCO1)N1CCOCC1,MAXLZDUSFWHCFG-UHFFFAOYSA-N
-rxn:4:214836:224285,O=C(C1CN(c2ncc(Cl)cc2-c2ccc(OCCN3CCOCC3)cc2F)CCO1)N1CCSCC1,NTKBJPLDAAEAIW-UHFFFAOYSA-N
-rxn:4:214837:222634,O=C(C1CN(c2ncc(-c3ccc(OCCNC4CCCC4)c(F)c3)cc2Cl)CCO1)N1CCSCC1,WBIFKJHDNWVNFM-UHFFFAOYSA-N
-rxn:4:214839:222916,O=C(NC1=NCCS1)c1cccc(-c2cnc(N3CCOC(C(=O)N4CCSCC4)C3)c(F)c2)c1,UATKGUMAAZJMCU-UHFFFAOYSA-N
-rxn:4:214862:225192,O=C(c1cncc(-c2cc(OC3CCCCC3)ncc2F)c1)N1CCCN(C2CCSC2)CC1,VMIXFMHEZHIIPL-UHFFFAOYSA-N
-rxn:4:214870:226236,CCCCOc1ncc(C)cc1-c1cc(Cl)cnc1N1CCCC(C(=O)N2CCOCC2)C1,XQBOIZVEJGLDBI-UHFFFAOYSA-N
-rxn:4:214880:227480,CCCOc1nccc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)c(C)c2)c1Cl,HWXJPABREJWOTD-UHFFFAOYSA-N
-rxn:4:214890:223822,CC(C)(C)COC(=O)c1ccc(C(F)(F)F)cc1-c1cncc(C(=O)N2CCCN(C3CCSCC3)CC2)c1,WTSQOXLELMURIT-UHFFFAOYSA-N
-rxn:4:215059:223761,CC(C)(C)OC(=O)N1CCn2ncc(-c3ccc(C4CCCN4C(=O)OC(C)(C)C)cc3)c2C1,ZNHGCRGFZMRPOT-UHFFFAOYSA-N
-rxn:4:215102:225105,CCN(CC)C(=O)c1ccc(-c2cn3c(n2)CCN(C(=O)OC(C)(C)C)CC3)cc1F,WRRXIMKMOKNGBY-UHFFFAOYSA-N
-rxn:4:215143:224374,COc1ccc(S(=O)(=O)N2CCCC2)cc1-c1ccccc1S(=O)(=O)N1CCn2nc(C3CC3)cc2C1,DXYVNQZTDJFVFY-UHFFFAOYSA-N
-rxn:4:215148:222912,CC(C)CNS(=O)(=O)c1ccc(-c2ncc3n2CC(C)(C)N(C(=O)OC(C)(C)C)C3)cc1,QTJZDNXLWWOZCO-UHFFFAOYSA-N
-rxn:4:215197:224379,CN1CCN(S(=O)(=O)c2ccccc2-c2ccccc2S(=O)(=O)N2CCC3CN(c4ccccn4)CC32)CC1,IPMYAQONDLYRSW-UHFFFAOYSA-N
-rxn:4:215295:223578,CC(C)(C)OC(=O)N1CCC2(CC1)c1ccccc1CCn1c(-c3cnc(N4CCCCC4)nc3OCc3ccccc3)cnc12,VRRREOPJCYHOFA-UHFFFAOYSA-N
-rxn:4:215741:222699,Cn1ncc(C(=O)N2CCC(F)(F)C2)c1-c1ccc(C2CCCNC2)c(C(F)(F)F)c1,UXPBGZOGJIVDGX-UHFFFAOYSA-N
-rxn:4:215798:223953,C=C1CCN(c2ncc(-c3cc(F)cc(N4CCN(CCOC)CC4)c3)cc2C#N)CC1,VEBNJSLMKXQZGN-UHFFFAOYSA-N
-rxn:4:215852:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cc(N4CCOCC4)nc(C4CC4)n3)ccn2)CC1,YRDQXSQOBHPIEX-UHFFFAOYSA-N
-rxn:4:215883:223602,CCN1CCN(c2ncccc2-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2Cl)CC1,UFTXEGMFKLPLPV-UHFFFAOYSA-N
-rxn:4:215907:224322,CC1CCN(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCN(C)CC4)nc3)cc2)CC1,OJASDGOBDWLETE-UHFFFAOYSA-N
-rxn:4:215941:223785,CCN1CCN(CCOc2ccc(-c3ccncc3N3CCC(N(C)C)CC3)cc2Cl)CC1,WTRLZHHUCFOQLT-UHFFFAOYSA-N
-rxn:4:215941:223810,Cc1cc(-c2ccncc2N2CCC(N(C)C)CC2)cc(C)c1S(=O)(=O)N1CCC(C)CC1,FRBJPICAXWNKSX-UHFFFAOYSA-N
-rxn:4:215941:223814,CN(C)C1CCN(c2cnccc2-c2ccc(CN3CCC4(CC3)OCCO4)cc2F)CC1,CUTYCAAFTMZXDY-UHFFFAOYSA-N
-rxn:4:215941:223970,Cc1ccc(-c2ccncc2N2CCC(N(C)C)CC2)cc1S(=O)(=O)N1CCC(C)CC1,FXNFHYUQYGSDKY-UHFFFAOYSA-N
-rxn:4:215942:223784,CCN1CCN(CCOc2ccc(-c3ncccc3N3CCC(N(C)C)CC3)cc2F)CC1,JGRBXAJAWBRKEB-UHFFFAOYSA-N
-rxn:4:215942:223785,CCN1CCN(CCOc2ccc(-c3ncccc3N3CCC(N(C)C)CC3)cc2Cl)CC1,UOWROARIMGEBLQ-UHFFFAOYSA-N
-rxn:4:215942:223814,CN(C)C1CCN(c2cccnc2-c2ccc(CN3CCC4(CC3)OCCO4)cc2F)CC1,YVSVBWUXDHITAT-UHFFFAOYSA-N
-rxn:4:215943:223785,CCN1CCN(CCOc2ccc(-c3ccnc(N4CCC(N(C)C)CC4)c3)cc2Cl)CC1,CUCHBPDYEJOPLW-UHFFFAOYSA-N
-rxn:4:215943:223810,Cc1cc(-c2ccnc(N3CCC(N(C)C)CC3)c2)cc(C)c1S(=O)(=O)N1CCC(C)CC1,UYZSQZTZROMRSS-UHFFFAOYSA-N
-rxn:4:215943:223812,CN(C)C1CCN(c2cc(-c3cc(F)cc(CN4CCC5(CC4)OCCO5)c3)ccn2)CC1,DCRIKBQAWXBOGP-UHFFFAOYSA-N
-rxn:4:215943:223814,CN(C)C1CCN(c2cc(-c3ccc(CN4CCC5(CC4)OCCO5)cc3F)ccn2)CC1,DWMXTZGMYIWJAW-UHFFFAOYSA-N
-rxn:4:215944:223785,CCN1CCN(CCOc2ccc(-c3cccc(N4CCC(N(C)C)CC4)n3)cc2Cl)CC1,KKKZTTZXAQAHSP-UHFFFAOYSA-N
-rxn:4:215953:223785,CCN1CCN(CCOc2ccc(-c3ccc(N4CCC(N(C)C)CC4)nc3)cc2Cl)CC1,KVQRXPRZEDHNDI-UHFFFAOYSA-N
-rxn:4:215953:223810,Cc1cc(-c2ccc(N3CCC(N(C)C)CC3)nc2)cc(C)c1S(=O)(=O)N1CCC(C)CC1,YMYMJVUCGFJOHC-UHFFFAOYSA-N
-rxn:4:215953:223812,CN(C)C1CCN(c2ccc(-c3cc(F)cc(CN4CCC5(CC4)OCCO5)c3)cn2)CC1,QWGKUMCPDYLYIQ-UHFFFAOYSA-N
-rxn:4:215953:223814,CN(C)C1CCN(c2ccc(-c3ccc(CN4CCC5(CC4)OCCO5)cc3F)cn2)CC1,VGXHBVOMVDQHMX-UHFFFAOYSA-N
-rxn:4:215955:223814,CN(C)C1CCN(c2ccncc2-c2ccc(CN3CCC4(CC3)OCCO4)cc2F)CC1,VLBQJPREYFTJFT-UHFFFAOYSA-N
-rxn:4:215956:223728,CCCCCC1CCC(c2ccc(-c3cncc(N4CCC(N(C)C)CC4)c3)c(F)c2)CC1,WRBWUYJDMICQRS-UHFFFAOYSA-N
-rxn:4:215957:223785,CCN1CCN(CCOc2ccc(-c3cccnc3N3CCC(N(C)C)CC3)cc2Cl)CC1,YHRKTMVUQPZRGB-UHFFFAOYSA-N
-rxn:4:215957:223810,Cc1cc(-c2cccnc2N2CCC(N(C)C)CC2)cc(C)c1S(=O)(=O)N1CCC(C)CC1,JGLKYDNBIDDKJA-UHFFFAOYSA-N
-rxn:4:215957:223814,CN(C)C1CCN(c2ncccc2-c2ccc(CN3CCC4(CC3)OCCO4)cc2F)CC1,XLQHLYSEOMNNCK-UHFFFAOYSA-N
-rxn:4:215962:223838,CC1CCCCN1c1cc(C2CC2)nc(-c2ccc(N3CCN(S(=O)(=O)N(C)C)CC3)cc2)n1,UNONBZLJVOUCJF-UHFFFAOYSA-N
-rxn:4:215966:224323,Cc1cc(-c2nc(C3CC3)cc(N3CCC(C)CC3)n2)cc(C)c1S(=O)(=O)N1CCCC1,KJWOFDUEIJDMJR-UHFFFAOYSA-N
-rxn:4:215989:222920,Cc1cc(S(=O)(=O)NC2CC2)ccc1-c1ccc(N2CCC(N3CCN(C)CC3)CC2)cc1,VCKGBBGHKFBYDD-UHFFFAOYSA-N
-rxn:4:215990:222920,Cc1cc(S(=O)(=O)NC2CC2)ccc1-c1ccc(N2CCN(C3CCN(C)CC3)CC2)cc1,LFPYJOWXNOSXCJ-UHFFFAOYSA-N
-rxn:4:215990:222923,Cc1ccc(-c2ccc(N3CCN(C4CCN(C)CC4)CC3)cc2)cc1S(=O)(=O)NC1CC1,PYYHVAVYZSWPBK-UHFFFAOYSA-N
-rxn:4:215990:222944,CN1CCC(N2CCN(c3ccc(-c4ccc(S(=O)(=O)NC5CC5)cc4F)cc3)CC2)CC1,HKOYBJXZINJLKM-UHFFFAOYSA-N
-rxn:4:216245:222829,CNS(=O)(=O)c1ccc(-c2cnc3c(c2)N(C(=O)C(C)(C)C)CCN3C)c(C(F)(F)F)c1,ZPSQIISSIWCHIN-UHFFFAOYSA-N
-rxn:4:217199:222465,CN1CCN(c2ncc(-c3cc(C4CCCCC4)nc(C4CCCNC4)c3)cc2F)CC1,BQPHRAZDDPKQJY-UHFFFAOYSA-N
-rxn:4:217765:223531,Cc1nc(N2CCC2)c2cc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)c(Cl)c3)sc2n1,RAZDXMCCEMKMHQ-UHFFFAOYSA-N
-rxn:4:217857:223992,Cc1ccc(-c2cnn(C)c2C23CCN(C)CC2O3)cc1S(=O)(=O)N1CCN(C)CC1,GNGSEEYSJUIKBU-UHFFFAOYSA-N
-rxn:4:217857:223993,Cc1cc(-c2cnn(C)c2C23CCN(C)CC2O3)ccc1S(=O)(=O)N1CCN(C)CC1,HLGQFOJBLVADSZ-UHFFFAOYSA-N
-rxn:4:217865:223809,C=C1CC2CCC(C1)N2c1ncc(-c2cc(N3CCOCC3)cc(N3CCOCC3)c2)cn1,DHCOTZJHBLXXCH-UHFFFAOYSA-N
-rxn:4:218587:222524,N#Cc1ccc(S(=O)(=O)N2CCC(COc3ncc(-c4cc(F)c(F)cc4S(=O)(=O)N4CCC(O)CC4)cn3)CC2)cc1,ATAYGHYRIZKQIY-UHFFFAOYSA-N
-rxn:4:218589:224321,CC1CCN(S(=O)(=O)c2cccc(-c3cnc(OCC4CCCN(S(=O)(=O)c5ccc(C#N)cc5)C4)nc3)c2)CC1,VNGBOVSUUXGDLP-UHFFFAOYSA-N
-rxn:4:218589:225980,N#Cc1ccc(S(=O)(=O)N2CCCC(COc3ncc(-c4cc(N5CCOCC5)ncc4F)cn3)C2)cc1,KMYBGPBJEHPMSY-UHFFFAOYSA-N
-rxn:4:218615:225312,CN1CCCN(c2ncc(-c3cnc(N(C)CC4CCN(C(=O)OC(C)(C)C)C4)cn3)cn2)CC1,XNIFWGHNTBIVND-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:4:218631:225957,O=C1C(N2CCC(COc3ncc(-c4ccc(-c5cncnc5)nc4F)cn3)CC2)CCN1CC(F)(F)F,LQZIPBVGCKCEHI-UHFFFAOYSA-N
-rxn:4:218663:225984,CN(C)c1ccc(C(=O)N2CCC(COc3ncc(-c4cnc(Cl)c(N5CCOCC5)c4)cn3)CC2)cc1,VREZFOWEYPKUQE-UHFFFAOYSA-N
-rxn:4:218682:223945,CC(=O)N1CCC(C(=O)N2CCCC(COc3ncc(-c4ccc(OCCCN5CCOCC5)c(F)c4)cn3)C2)CC1,VSOUHMYMYWPZNH-UHFFFAOYSA-N
-rxn:4:218682:225172,CC(=O)N1CCC(C(=O)N2CCCC(COc3ncc(-c4cc(CN5CCOCC5)ccc4F)cn3)C2)CC1,UVVHJEHNECGTMY-UHFFFAOYSA-N
-rxn:4:218711:223975,CC(C)(C)OC(=O)N1CCN(C2CCN(c3ccc([N+](=O)[O-])cc3-c3cn(C(=O)OC(C)(C)C)c4ccc(Cl)nc34)CC2)CC1,WPXXHMGSPVEYIQ-UHFFFAOYSA-N
-rxn:4:218714:224397,Cc1cc(C)c(S(=O)(=O)N2CCN(C(=O)CCn3nc(C)c(-c4ccc(S(=O)(=O)N5CCC(=O)CC5)cc4)c3C)CC2)c(C)c1,XEFIVXAWBYVMHP-UHFFFAOYSA-N
-rxn:4:218714:227313,CCC(C)c1cc(-c2c(C)nn(CCC(=O)N3CCN(S(=O)(=O)c4c(C)cc(C)cc4C)CC3)c2C)c(F)cn1,WFEALKKYOCPOEW-UHFFFAOYSA-N
-rxn:4:218754:222792,CC(C)(C)OC(=O)Nc1ccc(F)c(-c2csc3c(=O)n(C4CCN(C(=O)OC(C)(C)C)CC4)c(=O)n(CC#N)c23)c1,PTGYLDGAMFVSLM-UHFFFAOYSA-N
-rxn:4:218754:223528,CC(C)(C)OC(=O)N1CCC(n2c(=O)c3scc(-c4ccc(F)c(CN5CCN(C(=O)OC(C)(C)C)CC5)c4)c3n(CC#N)c2=O)CC1,WZLPQOBWQHOSKR-UHFFFAOYSA-N
-rxn:4:218754:224157,CC(C)(C)OC(=O)N1CCC(n2c(=O)c3scc(-c4cn(C(=O)OC(C)(C)C)c5ccccc45)c3n(CC#N)c2=O)CC1,YVTLXTNZJZNWFN-UHFFFAOYSA-N
-rxn:4:218777:224321,Cc1nn(C(C)CC(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)c(C)c1-c1cccc(S(=O)(=O)N2CCC(C)CC2)c1,NBXMRDYFJQWGIK-UHFFFAOYSA-N
-rxn:4:218886:223945,Cc1ncsc1C(=O)N1CCCC(COc2ncc(-c3ccc(OCCCN4CCOCC4)c(F)c3)cn2)C1,DYZHQBJMZRSGEA-UHFFFAOYSA-N
-rxn:4:218888:222634,Cc1oncc1C(=O)N1CCCC(COc2ncc(-c3ccc(OCCNC4CCCC4)c(F)c3)cn2)C1,VYHKICCLGYURIM-UHFFFAOYSA-N
-rxn:4:218917:223888,CC(C)(C)OC(=O)N1CCN(C(=O)c2ncc(-c3ccc4c(c3)N(C(=O)OC(C)(C)C)CCC4)cn2)CC1,CEHUNHHCYJABNC-UHFFFAOYSA-N
-rxn:4:218917:223932,CC(C)(C)OC(=O)N1CCN(C(=O)c2ncc(-c3cc4c(Cl)cccc4n3C(=O)OC(C)(C)C)cn2)CC1,DNVHULNUMOZXSN-UHFFFAOYSA-N
-rxn:4:218920:222584,COc1cnc(OC2CCN(C(=O)c3cncc(-c4ccc(OCCCN5CCNCC5)c(F)c4)c3)CC2)nc1,GXVDCDLIOZHBDR-UHFFFAOYSA-N
-rxn:4:218920:224187,COc1cnc(OC2CCN(C(=O)c3cncc(-c4ccc(OCCN5CCCCC5)cc4F)c3)CC2)nc1,QNJNXNVRKWESRX-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:4:218972:224759,Cc1nc(C)c(C(=O)N2CCCC(COc3ncc(-c4cc(F)cc(C(=O)N5CCOCC5)c4)cn3)C2)s1,BMXMIQUVUGKFIQ-UHFFFAOYSA-N
-rxn:4:218973:223812,CCc1cnc(OC2CCN(C(=O)c3cncc(-c4cc(F)cc(CN5CCC6(CC5)OCCO6)c4)c3)CC2)nc1,SBMVFDPXTNIPTP-UHFFFAOYSA-N
-rxn:4:218991:223685,Cn1cc(-c2ccc(OC(F)(F)F)c(OCc3cccnc3)c2)c(CN2CCN(C(=O)OC(C)(C)C)CC2)n1,JATNERCOHNPSRJ-UHFFFAOYSA-N
-rxn:4:218991:223937,Cn1cc(-c2cc3cccc(Cl)c3n2C(=O)OC(C)(C)C)c(CN2CCN(C(=O)OC(C)(C)C)CC2)n1,DBNUSEMCYZUOST-UHFFFAOYSA-N
-rxn:4:218999:223687,C[C@H]1CN(C(=O)OC(C)(C)C)CCN1c1ncc(-c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2)cc1C#N,AAWZEIBQAHPHEU-FQEVSTJZSA-N
-rxn:4:219028:226714,CC1CN(C(=O)c2cnn(C)c2-c2ccnn2C(=O)OC(C)(C)C)CCN1C(=O)OC(C)(C)C,AAXDPSARQRMQSQ-UHFFFAOYSA-N
-rxn:4:219028:227502,CC(C)Oc1ncc(-c2c(C(=O)N3CCN(C(=O)OC(C)(C)C)C(C)C3)cnn2C)cc1Cl,PDXBBJQDTBOMTG-UHFFFAOYSA-N
-rxn:4:219071:222833,Cc1ccc(-c2cc(C(=O)N3CCN(S(=O)(=O)c4ccc(-c5cccc(NC(=O)CCC(C)C)c5)cc4)CC3)n[nH]2)cc1,XWZPUAITOKWQMT-UHFFFAOYSA-N
-rxn:4:219072:227089,O=C(Cc1nnc(-c2cccc(-c3ccncc3C3CCCC3)c2)o1)N1CCN(C2CCCCC2)CC1,KVBYZWBDDMIMLW-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:4:219079:222612,Cc1cccc(CC(=O)N2CCCN(c3cc(-c4ccc(-c5cc(S(=O)(=O)N6CCC(O)CC6)ccc5F)cc4)n[nH]3)CC2)c1,OEUUUUAJHDFVIK-UHFFFAOYSA-N
-rxn:4:219107:226020,CCC(=O)C1=C(c2ccc(-c3ccc(OC(F)(F)C(F)F)cc3)cc2)N(C(=O)CC)n2c(C)nnc2S1,WQBKGZVCKLSCGA-UHFFFAOYSA-N
-rxn:4:219128:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cnc(OCC4CCN(Cc5nc6c(s5)CCC6)CC4)nc3)c2Cl)CC1,DNYGAFQTDUSUQA-UHFFFAOYSA-N
-rxn:4:219242:222791,CC(C)(C)OC(=O)Nc1ccc(Cl)c(-c2cnnn2C2CN(C(=O)OC(C)(C)C)C2)c1,XDSOGNVAZOWSAU-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:4:219353:222740,CC(C)c1cc(-c2cnc(OC3CCN(S(=O)(=O)N(C)C)CC3)nc2)cc(C2CCCNC2)n1,RQGKMOJBUVRJGN-UHFFFAOYSA-N
-rxn:4:219353:225047,Cc1cc(-c2cnc(OC3CCN(S(=O)(=O)N(C)C)CC3)nc2)cnc1N1CCC(C)CC1,POMRUQNVAOEZPR-UHFFFAOYSA-N
-rxn:4:219353:225805,CC(c1ccc(-c2cnc(OC3CCN(S(=O)(=O)N(C)C)CC3)nc2)s1)N1CCOCC1,DAEXCSSFAQFNJE-UHFFFAOYSA-N
-rxn:4:219354:222742,CN(C1CCN(c2ncc(-c3cc(C4CCNCC4)nc(C4CC4)c3)cn2)C1)S(=O)(=O)C1CC1,VFGOXCMYQREEAS-UHFFFAOYSA-N
-rxn:4:219371:224561,Cc1c(O[Si](C)(C)C(C)(C)C)cccc1-c1nncn1C1CCN(C(=O)OC(C)(C)C)CC1,YOFLTGFMQOOHLS-UHFFFAOYSA-N
-rxn:4:219374:222634,CC(C)(C)OC(=O)N1CCC(n2cc(-c3ccc(OCCNC4CCCC4)c(F)c3)nn2)CC1,WEDUTRFGSPIDFO-UHFFFAOYSA-N
-rxn:4:219404:223045,CC(C)NC(=O)c1ccc(F)c(-c2cncc(N3CCN(C(=O)OC(C)(C)C)CC3)n2)c1,BBUOQKMYPXZTSN-UHFFFAOYSA-N
-rxn:4:219407:222852,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3cccc(CN4CCC(O)CC4)c3)cn2)CC1,MGVITWAZYGOUJK-UHFFFAOYSA-N
-rxn:4:219413:223844,CSc1nc(C)cc(N2CCC(Oc3ccncc3-c3ccc(S(=O)(=O)N4CCCC4)cc3C(F)(F)F)C2)n1,RZEDPRDTKPXLGN-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:4:219433:224010,COc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1ccc(C(=O)N2CCN(c3ccc(C4CC4)nn3)CC2)o1,BJESXTCFHABFIV-UHFFFAOYSA-N
-rxn:4:219457:222791,CC1CN(C(=O)OC(C)(C)C)CCC1n1cc(-c2cc(NC(=O)OC(C)(C)C)ccc2Cl)nn1,QJCTWCKDZGAKNL-UHFFFAOYSA-N
-rxn:4:219535:224397,Cn1cc(S(=O)(=O)N2CCCN(C(=O)c3ccccc3-c3ccc(S(=O)(=O)N4CCC(=O)CC4)cc3)CC2)cn1,YGJDNOPRXMGVLT-UHFFFAOYSA-N
-rxn:4:219543:223055,Cc1cc(C)c(C#N)c(N2CCN(S(=O)(=O)c3ccc(-c4ccc(N5CCNCC5)nc4C)cc3)CC2)n1,DBQJRJJPUSLHBD-UHFFFAOYSA-N
-rxn:4:219565:222928,Cc1cc(C)c(C#N)c(N2CCCN(S(=O)(=O)c3ccc(-c4cnc(N5CCC(O)CC5)nc4C)cc3)CC2)n1,SRLPICPMDMMAPN-UHFFFAOYSA-N
-rxn:4:219627:227719,CC(C)(C)OC(=O)N1C2CCC1CN(c1nnc(-c3ccc(Cl)c(OC(F)F)c3)s1)C2,NOTKCYFUNBEEGB-UHFFFAOYSA-N
-rxn:4:219654:225232,CC1CCN(c2cc(-c3cc4c(N5CCN(C(=O)OC(C)(C)C)CC5)ncnc4s3)cnc2Cl)CC1,FLEHEDQMKHBXHS-UHFFFAOYSA-N
-rxn:4:219687:223930,Cc1cc2c(cnn2C(=O)OC(C)(C)C)cc1-c1ccc2nnn(C3CCN(C(=O)OC(C)(C)C)CC3)c2c1,LZBRQCYGOONKGO-UHFFFAOYSA-N
-rxn:4:219687:224161,CC(C)(C)OC(=O)N1CCC(n2nnc3ccc(-c4ccc5c(c4)CN(C(=O)OC(C)(C)C)C5)cc32)CC1,SHEDVVAAMNDUHJ-UHFFFAOYSA-N
-rxn:4:219687:226715,CC(C)(C)OC(=O)N1CCC(n2nnc3ccc(-c4cnn(C(=O)OC(C)(C)C)c4)cc32)CC1,SXPJICNVGUEVLA-UHFFFAOYSA-N
-rxn:4:219688:223065,CC(C)(C)OC(=O)N1CCC(c2nc3ccc(-c4ccc(N5CCNCC5)cc4F)cn3n2)CC1,RTXMFQGKBFWAGL-UHFFFAOYSA-N
-rxn:4:219689:225977,CC(C)(C)OC(=O)N1CCN(c2ccc3ncc(-c4cc(Cl)cnc4N4CCOCC4)n3c2)CC1,OLCDZWSZYBPODM-UHFFFAOYSA-N
-rxn:4:219691:223500,CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(-c3cnn4c(Cl)cc(C5CCCN(C(=O)OC(C)(C)C)C5)nc34)ccc2F)CC1,ZYZIVDWMBRCBOZ-UHFFFAOYSA-N
-rxn:4:219691:223521,CC(c1cccc(-c2cnn3c(Cl)cc(C4CCCN(C(=O)OC(C)(C)C)C4)nc23)c1)N1CCN(C(=O)OC(C)(C)C)CC1,QFDSAKNBEQBPHR-UHFFFAOYSA-N
-rxn:4:219692:223975,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cn(C(=O)OC(C)(C)C)c4ccc(Cl)nc34)c3cnc(Cl)nc32)CC1,UUBPMZCFTXBRJC-UHFFFAOYSA-N
-rxn:4:219904:225805,CC(c1ccc(-c2cnc(C3CCN(S(=O)(=O)N(C)C)CC3)cn2)s1)N1CCOCC1,XDLSAWXRCHLZLL-UHFFFAOYSA-N
-rxn:4:219910:223595,Cn1ccnc(N2CCC(Oc3ccncc3-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)c(F)c3)C2)c1=O,MTSXDIBBSXRJAO-UHFFFAOYSA-N
-rxn:4:219931:222622,CCC(C)c1cc(-c2cnc(N3CCCN(S(=O)(=O)C4CC4)CC3)nc2)cc(C2CCCNC2)n1,ZBYOHQUURIUADF-UHFFFAOYSA-N
-rxn:4:219941:223945,COc1cc(N2CCN(c3ncc(Cl)cc3-c3ccc(OCCCN4CCOCC4)c(F)c3)CC2=O)ccn1,QLBMXTYUEGTQNH-UHFFFAOYSA-N
-rxn:4:219955:224367,CC(C)COc1cc(-c2cnc(N3CCOC(C(=O)N4CCSCC4)C3)nc2)ccc1OC(F)(F)F,QYRGEOXWJWFNNZ-UHFFFAOYSA-N
-rxn:4:219991:222667,CN1C(=O)CN(C2CCN(C(=O)c3cncc(-c4ccc(C(=O)Nc5cccc(F)c5)cc4)c3)CC2)C1=O,NYRYRAGJFFXLKF-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:4:220136:225047,Cc1cc(-c2ccc3ncnc(N4CCN(S(=O)(=O)C5CC5)CC4)c3c2)cnc1N1CCC(C)CC1,BITGMGFWAIYZDP-UHFFFAOYSA-N
-rxn:4:220137:222855,COc1cc(-c2ccc3nc(N4CCN(S(=O)(=O)C5CC5)CC4)ncc3c2)cc(C2CCCNC2)c1,HEYDEHVHXNGOBI-UHFFFAOYSA-N
-rxn:4:220137:225047,Cc1cc(-c2ccc3nc(N4CCN(S(=O)(=O)C5CC5)CC4)ncc3c2)cnc1N1CCC(C)CC1,LHQQXRZVSUHQLR-UHFFFAOYSA-N
-rxn:4:220228:222584,Cc1nc(-c2c3n(c(=O)n(Cc4cccc(-c5ccc(OCCCN6CCNCC6)c(F)c5)c4)c2=O)CCCCC3)no1,ZLKOCWUARRRCDP-UHFFFAOYSA-N
-rxn:4:220397:223593,CCN1CCN(c2ncc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)c(Cl)c3)cn2)CC1,JQPNVHSFLFSVRK-UHFFFAOYSA-N
-rxn:4:220397:223595,CCN1CCN(c2ncc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)c(F)c3)cn2)CC1,KJDVBRWJOWIWDS-UHFFFAOYSA-N
-rxn:4:220426:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cnc(N2CCOCC2)nc1N1CCOCC1,LCTJDLDBEZAYTG-UHFFFAOYSA-N
-rxn:4:220429:222389,c1nc(N2CCCN(C3CCOC3)CC2)ncc1-c1cc(C2CCNCC2)nc(C2CCNCC2)c1,VIPHEILPVLOINL-UHFFFAOYSA-N
-rxn:4:220531:223679,CCN1CCN(S(=O)(=O)c2c(C)cc(-c3cnc(N4CCC(c5noc6cc(F)ccc56)CC4)nc3)cc2C)CC1,GFXSILBBPLIQAW-UHFFFAOYSA-N
-rxn:4:221126:222722,CCOC(=O)C1CCCN(c2nc3c(S(=O)(=O)c4ccc(-c5cccc(S(=O)(=O)N6CCC(O)CC6)c5)cc4)nnn3c3ccsc23)C1,KVHGRJUXBZLVHD-UHFFFAOYSA-N
-rxn:4:221126:224319,CCOC(=O)C1CCCN(c2nc3c(S(=O)(=O)c4ccc(-c5ccc(S(=O)(=O)N6CCCCC6)cc5C)cc4)nnn3c3ccsc23)C1,PLBCMVRILVXKRS-UHFFFAOYSA-N
-rxn:4:221127:223140,CCOC(=O)C1CCN(c2nc3c(S(=O)(=O)c4ccc(-c5ccnc(C6CCCNC6)c5)cc4)nnn3c3ccsc23)CC1,CHIVVBADKBOJPS-UHFFFAOYSA-N
-rxn:4:221127:224991,CCOC(=O)C1CCN(c2nc3c(S(=O)(=O)c4ccc(-c5cc(C6CC6)nc(N6CCCC6)c5)cc4)nnn3c3ccsc23)CC1,XXCSGGZTEFDISK-UHFFFAOYSA-N
-rxn:4:221145:222465,CN(C1CN(c2nccnc2C#N)C1)S(=O)(=O)c1ccccc1-c1cc(C2CCCCC2)nc(C2CCCNC2)c1,GVLLCYXRQPGWBC-UHFFFAOYSA-N
-rxn:4:221145:222466,CN(C1CN(c2nccnc2C#N)C1)S(=O)(=O)c1ccccc1-c1cc(C2CCCCC2)nc(C2CCNCC2)c1,KXOPMOWWJIYZNX-UHFFFAOYSA-N
-rxn:4:221145:222537,CN(C1CN(c2nccnc2C#N)C1)S(=O)(=O)c1ccccc1-c1cc(C2CCCC2)nc(C2CCCNC2)c1,KVPVGCATZGLIQP-UHFFFAOYSA-N
-rxn:4:221152:223753,Cc1ccc(-c2cnc(OCC3CCCN(C(=O)c4snnc4C)C3)nc2)cc1OCCCN1CCN(C)CC1,SDASDIANFGSDNC-UHFFFAOYSA-N
-rxn:4:221180:222546,Cc1cc(C(=O)N2CCC(COc3ncc(-c4ccc(OCCNC5CCCCC5)c(F)c4)cn3)CC2)nn1C,NDPWYXCZRDUNOK-UHFFFAOYSA-N
-rxn:4:221183:224759,Cc1nn(C)cc1CN1CCCC(COc2ncc(-c3cc(F)cc(C(=O)N4CCOCC4)c3)cn2)C1,QSZDDRGUMMKDKG-UHFFFAOYSA-N
-rxn:4:221190:223658,O=C(c1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)c3ccccc23)o1)N1CCN(c2ccc(-c3noc(C4CC4)n3)cn2)CC1,NJMAMWMWIFXFGD-UHFFFAOYSA-N
-rxn:4:221190:223999,CC1CCN(S(=O)(=O)c2ccc(F)c(-c3ccc(C(=O)N4CCN(c5ccc(-c6noc(C7CC7)n6)cn5)CC4)o3)c2)CC1,JXAHHVSMPKOHOH-UHFFFAOYSA-N
-rxn:4:221206:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(CCN2CCN(c3cc(N4CCOCC4)ncn3)CC2)cc1,DZKUZFODFQQXAW-UHFFFAOYSA-N
-rxn:4:221227:224243,CC1CCCCN1C(=O)c1cc(F)cc(-c2cnc(OCC3CCCN(C(=O)c4ccc5nccnc5c4)C3)nc2)c1,MTIHZIDGFFHELV-UHFFFAOYSA-N
-rxn:4:221232:222634,N#Cc1cc2c(nc1N1CCCC(COc3ncc(-c4ccc(OCCNC5CCCC5)c(F)c4)cn3)C1)CCOC2,MGJYXKBSOJLPAV-UHFFFAOYSA-N
-rxn:4:221240:224196,CCN1CCN(Cc2cc(F)cc(-c3cnc(OCC4CCCN(Cc5c6c(nn5C)CCC6)C4)nc3)c2)CC1,MXMCEBZOCAKAIQ-UHFFFAOYSA-N
-rxn:4:221249:223503,CC(C)(C)OC(=O)N1CCC(Oc2cc(F)c(-c3cnn4cc(-c5ccc(N6CCN(C(=O)OC(C)(C)C)CC6)cc5)cnc34)c(F)c2)CC1,WNOQGLAYAZBCKR-UHFFFAOYSA-N
-rxn:4:221272:225975,CCCCCn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3ccnc(N4CCOCC4)c3Cl)cc2)n(C)c1=O,LDXNVZVMLAMUPZ-UHFFFAOYSA-N
-rxn:4:221327:223838,CSc1nc(C)cc(N2CC(Cn3cc(-c4ccc(N5CCN(S(=O)(=O)N(C)C)CC5)cc4)cn3)C2)n1,MCSWVNCUZYVCQZ-UHFFFAOYSA-N
-rxn:4:221369:223650,Cn1nc(C(=O)N2CCCC(Oc3ncc(-c4ccccc4N4CCN(C(=O)OC(C)(C)C)CC4)cn3)C2)ccc1=O,ZOJIIQVJEYZWCK-UHFFFAOYSA-N
-rxn:4:221369:224759,Cn1nc(C(=O)N2CCCC(Oc3ncc(-c4cc(F)cc(C(=O)N5CCOCC5)c4)cn3)C2)ccc1=O,VDPLCDSDJYNJQV-UHFFFAOYSA-N
-rxn:4:221382:224651,CC(C)(C)[Si](C)(C)Oc1cccc(F)c1-c1cncc(C(=O)N2CCN(c3ccc(C4CC4)nn3)CC2)c1,QYEFVSGBGGRETM-UHFFFAOYSA-N
-rxn:4:221392:224718,Cc1nc(C)c(F)c(OCC2CCN(c3ncc(-c4ccc(OCCN5CCOCC5)nc4)cn3)CC2)n1,LKHRZXJEYCOJFE-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:4:221418:223812,Cc1ccccc1-c1ccc(N2CCN(C(=O)c3cncc(-c4cc(F)cc(CN5CCC6(CC5)OCCO6)c4)c3)CC2)nn1,LRDNPSYARFMZJU-UHFFFAOYSA-N
-rxn:4:221425:222967,CC(C)CNC(=O)c1cccc(-c2cccc(CN3CCN(c4nccc(N5CCOCC5)n4)CC3)c2)c1,DZNHUDSVVWYRGH-UHFFFAOYSA-N
-rxn:4:221428:224165,Cc1ccc2c(cnn2C2CCCCO2)c1-c1ccc(CN2CCN(c3ccc(N4CCOCC4)nn3)CC2)cc1,VYIWPXCUZAWBJA-UHFFFAOYSA-N
-rxn:4:221433:223696,Cc1cc(N2CCCC2)nc(N2CCN(C(=O)c3ccc(-c4ccc(S(=O)(=O)N5CCC6(CC5)OCCO6)cc4)cc3)CC2)n1,NNIAREYULDIUJP-UHFFFAOYSA-N
-rxn:4:221440:223294,Cc1cc(N2CCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4csc(N5CCNCC5)n4)cc3)CC2)n1,DUCZPKDWYNYTLV-UHFFFAOYSA-N
-rxn:4:221447:223997,Cc1cc(N2CCN(Cc3ccc(-c4cc(C)c(S(=O)(=O)N5CCOCC5)c(C)c4)cc3)CC2)nc(N2CCOCC2)n1,TUGDBUBLWKICFQ-UHFFFAOYSA-N
-rxn:4:221449:222753,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccc(C(=O)NCc5cccs5)c4)cc3)CC2)n1,LTXLVPDERMWFMB-UHFFFAOYSA-N
-rxn:4:221451:222997,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccccc3-c3ccc(Cl)cc3C3CCCNC3)CC2)n1,XRPHCPFGMLCAPQ-UHFFFAOYSA-N
-rxn:4:221453:223239,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4cncc(C5CCCN5)c4)cc3)CC2)n1,SIDHSTZBZNNOKO-UHFFFAOYSA-N
-rxn:4:221453:224319,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4ccc(S(=O)(=O)N5CCCCC5)cc4C)cc3)CC2)n1,IOCHLPAZEJTVAX-UHFFFAOYSA-N
-rxn:4:221498:223577,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3c[nH]c4ncnc(N5CCN(C(=O)OC(C)(C)C)CC5)c34)cc2)CC1,SBVQWCSAHRIDNP-UHFFFAOYSA-N
-rxn:4:221498:224718,CC(C)(C)OC(=O)N1CCN(c2ncnc3[nH]cc(-c4ccc(OCCN5CCOCC5)nc4)c23)CC1,UJIVANKNPJZLFR-UHFFFAOYSA-N
-rxn:4:221603:223528,Cc1nccn1CC1CN(c2ncc(-c3ccc(F)c(CN4CCN(C(=O)OC(C)(C)C)CC4)c3)cn2)C1,CCMBRWYRFAFIFC-UHFFFAOYSA-N
-rxn:4:221609:223532,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)cc(-c3cnc(OC4CCN(c5ncc(Cl)cn5)CC4)nc3)c2)CC1,BDEWTRXDTBXUHE-UHFFFAOYSA-N
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-rxn:4:221641:223810,Cc1cc(-c2cnc(N3CCC(n4nc(C5CC5)ccc4=O)CC3)nc2)cc(C)c1S(=O)(=O)N1CCC(C)CC1,NJEAPPNZZDCGJO-UHFFFAOYSA-N
-rxn:4:221728:223595,Cn1nc(C2CCN(c3nc4ccc(-c5ccc(N6CCN(C(=O)OC(C)(C)C)CC6)c(F)c5)cc4s3)CC2)n(C2CC2)c1=O,POAPCMZRMJNSFC-UHFFFAOYSA-N
-rxn:4:221730:223670,Cc1nc2cc(F)ccc2c(=O)n1CC1CCN(c2ncc(-c3cccnc3N3CCN(C(=O)OC(C)(C)C)CC3)cn2)CC1,ZAYBOHDZYKYDCC-UHFFFAOYSA-N
-rxn:4:221742:222546,CCCn1c(=O)c2c(nc3n2CCCN3c2ccc(-c3ccc(OCCNC4CCCCC4)c(F)c3)cc2)n(C)c1=O,CNXBCGSHLVXLNB-UHFFFAOYSA-N
-rxn:4:221849:223945,CCn1c(=O)c2c(nc3n2CCCN3c2ccc(-c3ccc(OCCCN4CCOCC4)c(F)c3)cc2)n(C)c1=O,OIBKCVPUNBCOGK-UHFFFAOYSA-N
-rxn:4:221913:224974,CN1CCN(Cc2ccccc2-c2cccnc2OC2CCN(C(=O)CSc3nnnn3C)CC2)CC1,WWEGAGPZIQGHDM-UHFFFAOYSA-N
-rxn:4:221976:223000,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5cccc(-c6ccc(C7CCCNC7)c(F)c6)c5)no4)C3C2=O)cc1,LMBLKGWPAFRRFR-UHFFFAOYSA-N
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-rxn:4:222008:223952,Cc1nnc(CN2CCC(Oc3ncc(-c4ccc(OCCN5CCN(C)CC5)c(Cl)c4)cn3)CC2)n1C,AYELVWWHYAZXOX-UHFFFAOYSA-N
-rxn:4:222031:223057,CN(C)c1nccc(N2CCN(c3ncc(C(F)(F)F)cc3-c3cc(Cl)nc(C4CCCNC4)c3)CC2)n1,ZMRWMZQODBMQPE-UHFFFAOYSA-N
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-rxn:4:222053:225297,CCc1cc(N2CCN(c3ncc(-c4cccc(S(=O)(=O)N5CCCC5)c4)cn3)CC2)nc(C(C)(C)C)n1,DRAZJNBWQPGLIF-UHFFFAOYSA-N
-rxn:4:222054:223170,CN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cnc(C6CCCNC6)nc5)o4)CC3)nn2)CC1,HHROPKCBPXEUED-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:4:222062:226366,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccnc(N5CCCCC5)c4)cc3)CC2)n1,RXLXSMIJLRKPIY-UHFFFAOYSA-N
-rxn:4:222062:227628,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cnc(C5CCC5)nc4Cl)cc3)CC2)n1,WMFDJHIPCQMSRF-UHFFFAOYSA-N
-rxn:4:222161:224377,CN1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCC(c5nn(C)c(=O)n5C5CC5)CC4)nc3)cc2)CC1,FTXSAVXOUDDSMZ-UHFFFAOYSA-N
-rxn:4:222168:222538,c1nc(C2CCOCC2)cc(N2CCN(c3ncc(-c4cc(C5CCCC5)nc(C5CCNCC5)c4)cn3)CC2)n1,IJBDOHHLJHTBGQ-UHFFFAOYSA-N
-rxn:4:222168:225361,FC(F)(F)c1nn(C2CCCC2)cc1-c1cnc(N2CCN(c3cc(C4CCOCC4)ncn3)CC2)nc1,RMXPBAGLGCPGGM-UHFFFAOYSA-N
-rxn:4:222194:223595,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(N4CCN(c5nc(C(C)(C)C)nc6c5CCC6)CC4)nc3)cc2F)CC1,SAIQMHGRROSQIE-UHFFFAOYSA-N
-rxn:4:222229:222630,c1nc2c(c(N3CCN(c4ncc(-c5cc(C6CCC6)nc(C6CCNCC6)c5)cn4)CC3)n1)CCCC2,RXLRQETYUXXZHN-UHFFFAOYSA-N
-rxn:4:222296:223842,CC1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2cnc(OCC3CCCN(c4ccc5nncn5n4)C3)nc2)CC1,ARZBHXQQZWDZKO-UHFFFAOYSA-N
-rxn:4:222302:223998,CC1CCN(S(=O)(=O)c2ccc(-c3cnc(OCC4CCCN(c5ncnc6c5ncn6C)C4)nc3)cc2F)CC1,ZCDAZAAXHYMWRA-UHFFFAOYSA-N
-rxn:4:222302:223999,CC1CCN(S(=O)(=O)c2ccc(F)c(-c3cnc(OCC4CCCN(c5ncnc6c5ncn6C)C4)nc3)c2)CC1,XKWZJTJURLZBFI-UHFFFAOYSA-N
-rxn:4:222331:223499,CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(-c3cnc(N4CCN(c5nccc(N6CCOCC6)n5)CC4)nc3)ccc2Cl)CC1,FSUSXVWGKIJFPW-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:4:222335:222630,Cc1cc(N2CCN(c3ncc(-c4cc(C5CCC5)nc(C5CCNCC5)c4)cn3)CC2)nc(N2CCCC2)n1,ODCGDBRTRJOBCK-UHFFFAOYSA-N
-rxn:4:222354:223503,CC(C)(C)OC(=O)N1CCC(Oc2cc(F)c(-c3cnc(N4CCN(c5ncnc6cc[nH]c56)CC4)nc3)c(F)c2)CC1,AFOAKKPAPALUED-UHFFFAOYSA-N
-rxn:4:222364:223659,CC(C)(C)OC(=O)N1CCC(Cn2cc(-c3cnc(N4CCC(Cn5nc(-n6cncn6)ccc5=O)CC4)nc3)cn2)CC1,UJDKOUHXKXLMHX-UHFFFAOYSA-N
-rxn:4:222364:223842,CC1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2cnc(N3CCC(Cn4nc(-n5cncn5)ccc4=O)CC3)nc2)CC1,PCIJPEVJCXDQSH-UHFFFAOYSA-N
-rxn:4:222367:223842,CC1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2cnc(N3CCN(c4ncnc5c4ncn5CC4CCCO4)CC3)nc2)CC1,ACNMJFNHPCFXGR-UHFFFAOYSA-N
-rxn:4:222387:223755,CC1CCN(CCCOc2ccc(-c3cnc(N4CCOC(Cn5nnc6ncc(-c7cnn(C)c7)nc65)C4)nc3)cc2F)CC1,NESJIMRDIPIHIK-UHFFFAOYSA-N
-rxn:4:222513:186155,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1cc([N+](=O)[O-])ccc1OCC1CC1,SVVYNGPNAMZFKZ-UHFFFAOYSA-N
-rxn:4:222521:175702,COC(=O)C(C)(C)c1ccc(OC)cc1-c1cc(NC(=O)OC(C)(C)C)cc(C(F)(F)F)c1,CEKIWCOVIYFAMY-UHFFFAOYSA-N
-rxn:4:222523:178090,Cc1cc(C)c(OC(=O)C(C)C)c(-c2ccc(S(=O)(=O)NC(C)(C)C)cc2C(F)(F)F)c1,PFSBJKCGOMBPMT-UHFFFAOYSA-N
-rxn:4:222523:184971,Cc1ccc(C(=O)C(C)OC(=O)c2ccc(-c3ccc(S(=O)(=O)NC(C)(C)C)cc3C(F)(F)F)cn2)cc1,VIZNAUISYRSBPG-UHFFFAOYSA-N
-rxn:4:222523:185290,CC(C)(C)NS(=O)(=O)c1ccc(-c2cccc(CN(C(=O)c3ccc(F)cc3)C3CCS(=O)(=O)C3)c2)c(C(F)(F)F)c1,JXXXJDQYZGEHHH-UHFFFAOYSA-N
-rxn:4:222523:186335,CC(C)C(=O)C(C#N)c1ccc(-c2ccc(S(=O)(=O)NC(C)(C)C)cc2C(F)(F)F)cc1,QFUVEBVXXLIQNM-UHFFFAOYSA-N
-rxn:4:222523:189347,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc(CC(=O)N3CCC3)c(F)c2)c(C(F)(F)F)c1,RHEUTBSWQVACKM-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:4:222543:187192,COC(=O)[C@@H]1CCCN1[C@@H](C)c1ccc(-c2ccc(C3(NC(=O)OC(C)(C)C)CC3)cc2)cc1,OGWICGJTPOYDGM-CYFREDJKSA-N
-rxn:4:222613:174132,CCCNS(=O)(=O)c1ccc(-c2ccc(OC(C(=O)OC)C(C)C)cc2)c(C(F)(F)F)c1,VUNIQEYEZOHHIC-UHFFFAOYSA-N
-rxn:4:222682:187474,COc1cccc(-c2ccn([Si](C(C)C)(C(C)C)C(C)C)c2)c1NC(=O)OC(C)(C)C,QUDOUVACSPQZMB-UHFFFAOYSA-N
-rxn:4:222810:185244,CC(C)CN(C(=O)c1cccc(-c2cc(NC(=O)OC(C)(C)C)ncc2Cl)c1)C1CCS(=O)(=O)C1,HOLNWLPCEHJOBT-UHFFFAOYSA-N
-rxn:4:222812:174514,CC(C)[Si](Oc1cccc(-c2cnc(Cl)c(NC(=O)OC(C)(C)C)c2)c1)(C(C)C)C(C)C,RMXFYGBXLZSOCK-UHFFFAOYSA-N
-rxn:4:222853:194748,OC1CCN(Cc2ccc(-c3ccc([C@@]45C[C@@H]4CN(C4CCOCC4)C5)cc3)cc2)CC1,LWVXVPRZSCLUEF-NAKRPHOHSA-N
-rxn:4:222870:184181,CC(C)CNC(=O)c1cc(F)cc(-c2ccc(CN(C(=O)OC(C)(C)C)C(C)C)c3ccccc23)c1,DIVGXOWHNXAEPJ-UHFFFAOYSA-N
-rxn:4:222882:185147,CC(C)CS(=O)(=O)C1CN(S(=O)(=O)c2ccccc2-c2cc(F)ccc2C(=O)NC(C)(C)C)C1,VHBOVSUZTAWHDA-UHFFFAOYSA-N
-rxn:4:222883:184165,CC(=O)Oc1c(-c2ccc(C(=O)NC(C)(C)C)cc2Cl)cc(N(C(C)=O)S(=O)(=O)c2ccc(Cl)cc2)c2ccccc12,NXSOSLYYGZKFHU-UHFFFAOYSA-N
-rxn:4:222950:174522,CONS(=O)(=O)c1cc(-c2ccc(C#C[Si](C(C)C)(C(C)C)C(C)C)cc2)ccc1OC,ICRJNGVGFWEJIE-UHFFFAOYSA-N
-rxn:4:223042:199999,CC(C)NC(=O)c1ccc(-c2ccc3c(=NC(=O)OC(C)(C)C)n(C(=O)OC(C)(C)C)ccc3c2)cc1Cl,QFQCWXZSBZKBJJ-UHFFFAOYSA-N
-rxn:4:223083:178597,Cc1nc(N2CCC(O)C2)ncc1-c1ccc(OC(=O)C2OC3OC(C)(C)OC3C3OC(C)(C)OC23)cc1,FCAFMUVKQBCGBO-UHFFFAOYSA-N
-rxn:4:223481:178835,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3ccc(C(F)C(F)F)cc3)c(F)c2)CC1,XDJBJANSFUIAMU-UHFFFAOYSA-N
-rxn:4:223580:174481,COC(=O)c1ccc2c(c1)cc(-c1cc(C(=O)OC(C)(C)C)cc(-c3cccc(C(F)(F)F)c3)c1)n2C(=O)OC(C)(C)C,JMRWCLQVFMTNAA-UHFFFAOYSA-N
-rxn:4:223580:189152,COC(=O)c1ccc2c(c1)cc(-c1cc(C(F)(F)F)ccc1C(=O)N(C)C)n2C(=O)OC(C)(C)C,FMOHQZLSCAGGKT-UHFFFAOYSA-N
-rxn:4:223581:174009,COC(=O)c1cccc2cc(-c3ccc(C(=O)C(C(C)=O)C(=O)OC)cc3)n(C(=O)OC(C)(C)C)c12,DEECURPELMTFER-UHFFFAOYSA-N
-rxn:4:223582:178371,COC(=O)c1ccc2cc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3OC)n(C(=O)OC(C)(C)C)c2c1,IBKIOQXOIAXNAB-UHFFFAOYSA-N
-rxn:4:223641:186866,CCc1cc2c(cc1F)cc(-c1ccc(N(C)C(=O)OC(C)(C)C)cc1F)n2C(=O)OC(C)(C)C,RUKJLXBUTYLTIH-UHFFFAOYSA-N
-rxn:4:223771:174526,COc1ccc2c(c1)cc(-c1ccc(O[Si](C(C)C)(C(C)C)C(C)C)c(Cl)c1C)n2C(=O)OC(C)(C)C,IYKKMKFIOACQRW-UHFFFAOYSA-N
-rxn:5:176860:225976:225976,COC(=O)c1c(-c2ccnc(N3CCOCC3)c2F)ccc(OC)c1-c1ccnc(N2CCOCC2)c1F,NGHMDJFUCNNTNW-UHFFFAOYSA-N
-rxn:5:177373:223133:225595,Fc1ccc(-c2ccc(OCC3OCCO3)c(-c3ccccc3N3CCNCC3)c2)cc1CN1CCCC1,MLPQLRZJGQZPIQ-UHFFFAOYSA-N
-rxn:5:177446:222986:225623,COc1c(OC(C)C)cc(-c2cc(C)nc(C3CCCNC3)c2)cc1-c1cccc(OC2CCOCC2)c1,ZTCOELYFFYNGJH-UHFFFAOYSA-N
-rxn:5:177731:226794:223064,CC(C)(C)OC(=O)c1ccc(-c2ccc(C3CCNCC3)nc2F)cc1-c1cnc(N2CCSCC2)nc1,DBSDSHFOZQXSPJ-UHFFFAOYSA-N
-rxn:5:177736:226664:225784,CC(C)(C)OC(=O)c1ccc(-c2ccc(CN3CCOCC3)nc2)c(-c2cc(N3CCCC3)ncc2F)c1,GXHNGNMXXCFYIT-UHFFFAOYSA-N
-rxn:5:177971:227803:222987,Cc1nc(C2CCNCC2)ccc1-c1ccc(-c2ccnn2S(=O)(=O)N(C)C)cc1OCC1CCCC1,FQRZBHWTEUUJMK-UHFFFAOYSA-N
-rxn:5:178119:226579:226589,Cc1cc(C(=O)OC(C)(C)C)cc(-c2cc(F)cc(C(=O)N(C)C)c2)c1-c1cc(C(F)F)ncc1C(C)C,WVRRFWMEQPUMKO-UHFFFAOYSA-N
-rxn:5:178295:222980:226180,COC(=O)C1(c2cc(-c3cc(C)nc(C4CCCC4)c3)ccc2-c2ccc(CN3CCNCC3)cc2)CCC(=O)CC1,BCRGBURBBXLJRG-UHFFFAOYSA-N
-rxn:5:178295:223242:227091,COC(=O)C1(c2cc(-c3cncc(C4CCCC4)c3)ccc2-c2ccnc(C3CCNC3)c2)CCC(=O)CC1,FCGGBUIYPRMGAQ-UHFFFAOYSA-N
-rxn:5:178295:225886:227077,CCC(C)c1ccc(-c2ccc(-c3ccc4c(ccn4S(C)(=O)=O)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)c1,ILBRPYFVBWCRCB-UHFFFAOYSA-N
-rxn:5:178295:226059:228431,COC(=O)C1(c2cc(-c3cc(F)cc(F)c3SC)ccc2-c2ccc(C(C)C)cc2C(C)C)CCC(=O)CC1,ZHIXILYFZHKGPV-UHFFFAOYSA-N
-rxn:5:178295:226059:228562,CCC(C)c1csc(-c2ccc(-c3ccc(C(C)C)cc3C(C)C)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,OHTDSCLSWSZONT-UHFFFAOYSA-N
-rxn:5:178295:226910:228430,CCC(C)(C)c1ccc(-c2ccc(-c3c(F)cc(SC)cc3F)cc2C2(C(=O)OC)CCC(=O)CC2)cc1,IATDVCKQORNUHN-UHFFFAOYSA-N
-rxn:5:178295:226917:228189,CCSc1ccc(F)c(-c2ccc(-c3cc(C)cc(C(C)(C)C)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,WIGZYBZJPDUJTB-UHFFFAOYSA-N
-rxn:5:178295:226920:228268,COC(=O)C1(c2cc(-c3ccc(C)c(F)c3SC)ccc2-c2cc(C(C)(C)C)ccc2C)CCC(=O)CC1,KVBYVVPHPIGZTD-UHFFFAOYSA-N
-rxn:5:178295:227052:227904,CCN(C)c1ccc(-c2ccc(-c3ccc(SC(C)(C)C)cc3)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc1,YGPOJRASLBWNJC-UHFFFAOYSA-N
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-rxn:5:178295:227076:227833,CCc1cc(C)cc(C)c1-c1ccc(-c2cc(C(C)CC)ccc2F)c(C2(C(=O)OC)CCC(=O)CC2)c1,JLRWZYCLFULNBA-UHFFFAOYSA-N
-rxn:5:178295:227107:226911,CCc1cc(C)cc(CC)c1-c1ccc(-c2cc(C)cc(C3CC3)c2F)c(C2(C(=O)OC)CCC(=O)CC2)c1,ISVLAXPYNPDBGW-UHFFFAOYSA-N
-rxn:5:178295:227115:227935,CCc1cc(-c2ccc(-c3cc(C)c(C4CC4)cc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)ccc1OC,AGMZPIDYGYLSIE-UHFFFAOYSA-N
-rxn:5:178295:227115:227940,CCc1cc(SC)cc(-c2ccc(-c3cc(C)c(C4CC4)cc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,AAPGHEFVWCAILN-UHFFFAOYSA-N
-rxn:5:178295:227124:227917,CCc1ccc(OC)c(-c2ccc(-c3ccc(C(C)(C)C)cc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,FNDHWMRMPYQIPC-UHFFFAOYSA-N
-rxn:5:178295:227309:227124,CCC(C)c1cc(-c2ccc(-c3ccc(C(C)(C)C)cc3F)cc2C2(C(=O)OC)CCC(=O)CC2)cc(F)n1,IEJZLOZFPITGRL-UHFFFAOYSA-N
-rxn:5:178295:227409:227818,CCC(C)c1cccc(-c2ccc(-c3cc(C(C)(C)C)ncc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,RHXLFKAICZWONW-UHFFFAOYSA-N
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-rxn:5:178295:227591:227525,CCc1cnc(C(F)F)cc1-c1ccc(-c2ccc(C(F)F)cc2OC)c(C2(C(=O)OC)CCC(=O)CC2)c1,IRWQUYYJOFVCSH-UHFFFAOYSA-N
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-rxn:5:178295:228269:227525,CCc1cnc(C(F)F)cc1-c1ccc(-c2cc(OC)c(C)cc2F)c(C2(C(=O)OC)CCC(=O)CC2)c1,OUEYIXHQCPHJML-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:5:178467:227419:223140,CCOC(=O)C1=Cc2cc(-c3ccnc(C4CCCNC4)c3)cc(-c3ccc(C4CCC4)nc3F)c2OC1,IXYMFHCXTPIGTH-UHFFFAOYSA-N
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-rxn:5:178467:228712:225982,CCOC(=O)C1=Cc2cc(-c3cnc(N4CCOCC4)cc3F)cc(-c3ccnn3C3CCC3)c2OC1,DZYMZJIAABADIC-UHFFFAOYSA-N
-rxn:5:179840:225440:225932,CN(C)c1ccc(-c2cc(O[C@@H]3CCOC3)ccc2-c2ccc(C3(C#N)CCCC3)cc2)cc1C(F)(F)F,VTNPASSFOSXLFT-RUZDIDTESA-N
-rxn:5:180098:225799:225944,CC(C)Oc1c(F)cc(F)c(-c2ccc(-c3cncc(OC4CCOCC4)c3)c(OC3CCCC3)c2)c1F,XCLAHLXFAAUCMT-UHFFFAOYSA-N
-rxn:5:180203:226450:225985,CC1(c2cccc(-c3cc(OC4CCOCC4)cc(-c4cccc(N5CCCS5(=O)=O)c4)c3)c2)OCCO1,XASBVOOXQSZDFF-UHFFFAOYSA-N
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-rxn:5:180662:225982:227379,COC(=O)C1=Cc2cc(-c3cccnc3N3CCCC3)cc(-c3cnc(N4CCOCC4)cc3F)c2OC1,MHCZEPPSZDSWHR-UHFFFAOYSA-N
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-rxn:5:181628:225881:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2ccc(C3CCOCC3)nc2F)cc1C1OCCO1,JYAKGORPBDIKTO-UHFFFAOYSA-N
-rxn:5:181904:225832:226187,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(C2OCCO2)c(C)c1-c1cccc(C2CCOCC2)c1,ZWKOKNJLHVZBKD-UHFFFAOYSA-N
-rxn:5:181904:226686:225466,Cc1cnn(C2CCCCO2)c1-c1ccc(C2OCCO2)c(C)c1-c1ccc(N2CCCCC2C)cc1,IFCJXAAWEGWWQY-UHFFFAOYSA-N
-rxn:5:181906:225407:225639,Cc1ccc(-c2ccc(C3CCCCCC3)cc2)c(C2OCCO2)c1-c1cccnc1N1CCC(C)CC1,KBLPBDAKCDBPKI-UHFFFAOYSA-N
-rxn:5:181907:226686:226425,Cc1cc(-c2c(C)cnn2C2CCCCO2)c(-c2ccc(N3CCCCC3C)s2)c(C2OCCO2)c1,JXUXZHONPJARRZ-UHFFFAOYSA-N
-rxn:5:182009:225472:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(-c2cccc(N3CCCCC3C)c2)c(C2CCOCC2)c1,XRKTWLHEOOPPMI-UHFFFAOYSA-N
-rxn:5:182010:222960:225683,Cc1cc(-c2cc(-c3ccc(C4CCCOC4)nc3C)ccc2C2CCOCC2)cc(C2CCNCC2)c1,ZBSHFIDTKAQAHY-UHFFFAOYSA-N
-rxn:5:182010:225832:227610,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2ccn(C3CCCCO3)n2)ccc1C1CCOCC1,FNSWDFZUWXNYAN-UHFFFAOYSA-N
-rxn:5:182011:225832:226176,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(C2CCOCC2)cc1-c1ccncc1C1CCCCC1,VOHGNZCLBFRRED-UHFFFAOYSA-N
-rxn:5:182011:225986:226662,CN1CCN(c2ccc(-c3cc(C4CCOCC4)ccc3-c3ccccc3N3CCCS3(=O)=O)s2)CC1,HQEHNUXLVDVNIT-UHFFFAOYSA-N
-rxn:5:182012:225832:227611,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2ccnn2C2CCCCO2)c(C2CCCOC2)c1,XXJOJVVSHVCRKP-UHFFFAOYSA-N
-rxn:5:182012:225832:227684,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2cnn(CC3OCCO3)c2)c(C2CCCOC2)c1,FWQWURRGBRFVSZ-UHFFFAOYSA-N
-rxn:5:182013:225472:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(-c2cccc(N3CCCCC3C)c2)cc1C1CCOCC1,PLWGOMKPGKWIHX-UHFFFAOYSA-N
-rxn:5:182953:223054:225438,CC(c1ccc(-c2ccc3c(c2-c2ccc(C(C)N4CCC(O)C4)s2)OCCC3=O)cc1)N1CCCC1,NJDUINGAPCBJFQ-UHFFFAOYSA-N
-rxn:5:188445:226440:225818,COC(=O)c1cc(-c2cc(F)nc(C3CCCC3)c2)cc([N+](=O)[O-])c1-c1ccc(C(F)(F)F)cc1C1CC1,KQJZDGLHDLSOPG-UHFFFAOYSA-N
-rxn:5:188787:223004:226794,O=[N+]([O-])c1cc(-c2ccc(C3CCNCC3)c(F)c2)c(-c2cnc(N3CCSCC3)nc2)cc1OC1CC1,IODUETKHQGBKRA-UHFFFAOYSA-N
-rxn:5:188787:223061:223065,O=[N+]([O-])c1cc(-c2cc(C3CCNCC3)ncc2F)c(-c2ccc(N3CCNCC3)cc2F)cc1OC1CC1,GNGVVSLIEMJYBT-UHFFFAOYSA-N
-rxn:5:188787:223062:225834,O=[N+]([O-])c1cc(-c2cnc(C3CCNCC3)cc2F)c(-c2cc(N3CCCCC3)ncc2F)cc1OC1CC1,NAENZVLDUOFBJH-UHFFFAOYSA-N
-rxn:5:188787:223063:226320,N#CC1(c2ccc(F)c(-c3cc(OC4CC4)c([N+](=O)[O-])cc3-c3cc(F)nc(C4CCNCC4)c3)c2)CC1,WXQMILVQXQYPRR-UHFFFAOYSA-N
-rxn:5:188787:223065:223061,O=[N+]([O-])c1cc(-c2ccc(N3CCNCC3)cc2F)c(-c2cc(C3CCNCC3)ncc2F)cc1OC1CC1,IJIXEUVFOTWPKN-UHFFFAOYSA-N
-rxn:5:188787:223065:226329,N#CC1(c2ccc(-c3cc(OC4CC4)c([N+](=O)[O-])cc3-c3ccc(N4CCNCC4)cc3F)cc2F)CC1,CASDGHYAVSSBLN-UHFFFAOYSA-N
-rxn:5:188787:223135:222998,O=[N+]([O-])c1cc(-c2cccnc2C2CCCNC2)c(-c2cc(F)cc(C3CCCNC3)c2)cc1OC1CC1,FMISEWLWMOGIER-UHFFFAOYSA-N
-rxn:5:188787:223135:223002,O=[N+]([O-])c1cc(-c2cccnc2C2CCCNC2)c(-c2ccc(C3CCNCC3)cc2F)cc1OC1CC1,MXUYZARIGJGLHI-UHFFFAOYSA-N
-rxn:5:188787:226329:223061,N#CC1(c2ccc(-c3cc([N+](=O)[O-])c(OC4CC4)cc3-c3cc(C4CCNCC4)ncc3F)cc2F)CC1,FIUXXBYSEYXYAL-UHFFFAOYSA-N
-rxn:5:188787:226329:223062,N#CC1(c2ccc(-c3cc([N+](=O)[O-])c(OC4CC4)cc3-c3cnc(C4CCNCC4)cc3F)cc2F)CC1,IEOLWDDUBLYCPA-UHFFFAOYSA-N
-rxn:5:188930:225639:223135,COC(=O)c1cc(S(N)(=O)=O)c(-c2cccnc2N2CCC(C)CC2)cc1-c1cccnc1C1CCCNC1,NMSDRIUFDQLGCX-UHFFFAOYSA-N
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-rxn:5:188931:226743:226050,CCc1cc(-c2cc(C(=O)OC)c(-c3c(F)cc(OC(F)(F)F)cc3F)c(S(N)(=O)=O)c2)cc(C(F)(F)F)n1,CRNZYIMNHRIISP-UHFFFAOYSA-N
-rxn:5:189207:223006:229089,CC(=O)c1sccc1-c1ccc(-c2ccc(F)c(C3CCNCC3)c2)cc1C(=O)ON1C(=O)CCC1=O,HFQJNSKNQREFIC-UHFFFAOYSA-N
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-rxn:5:189212:227284:227408,N#Cc1cc(-c2cc(C(=O)ON3C(=O)CCC3=O)ccc2-c2cc(C3CCC3)ncc2F)c(C2CC2)cn1,IKSWPEMXEQDDRF-UHFFFAOYSA-N
-rxn:5:189212:227284:227413,N#Cc1cc(-c2cc(C(=O)ON3C(=O)CCC3=O)ccc2-c2cnc(C3CCC3)cc2F)c(C2CC2)cn1,AGBNQTLBFYGKCA-UHFFFAOYSA-N
-rxn:5:189212:227284:227419,N#Cc1cc(-c2cc(C(=O)ON3C(=O)CCC3=O)ccc2-c2ccc(C3CCC3)nc2F)c(C2CC2)cn1,AHPRTIXEXRHRLZ-UHFFFAOYSA-N
-rxn:5:189212:227408:227284,N#Cc1cc(-c2ccc(C(=O)ON3C(=O)CCC3=O)cc2-c2cc(C3CCC3)ncc2F)c(C2CC2)cn1,SPPUWCNRBAYVEH-UHFFFAOYSA-N
-rxn:5:189212:227413:227284,N#Cc1cc(-c2ccc(C(=O)ON3C(=O)CCC3=O)cc2-c2cnc(C3CCC3)cc2F)c(C2CC2)cn1,OLMANBRCHZRPCK-UHFFFAOYSA-N
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-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:5:189449:227301:222957,COC1CN(C(=O)c2cc(-c3cc(C)cc(C4CCCNC4)c3)ccc2-c2ccc(F)cc2CN(C)C)C1,WMYMWRPYSOCNKJ-UHFFFAOYSA-N
-rxn:5:189449:228194:225439,COC1CN(C(=O)c2cc(-c3cccc(C(C)N4CCCC4)c3)ccc2-c2c(C)nn(C(C)C)c2C)C1,WJFSIXFRFKIJNZ-UHFFFAOYSA-N
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-rxn:5:189540:225976:226661,COC1CN(Cc2cc(-c3ccnc(N4CCOCC4)c3F)ccc2-c2cc(N3CCN(C)CC3)cs2)C1,IBIDRIWPMMVDQZ-UHFFFAOYSA-N
-rxn:5:189540:225976:226662,COC1CN(Cc2cc(-c3ccnc(N4CCOCC4)c3F)ccc2-c2ccc(N3CCN(C)CC3)s2)C1,QYLBKSFFPMJAFY-UHFFFAOYSA-N
-rxn:5:189540:225978:226662,COC1CN(Cc2cc(-c3ccc(N4CCOCC4)nc3F)ccc2-c2ccc(N3CCN(C)CC3)s2)C1,MMYSYHZUAFLSOO-UHFFFAOYSA-N
-rxn:5:189540:225980:226662,COC1CN(Cc2cc(-c3cc(N4CCOCC4)ncc3F)ccc2-c2ccc(N3CCN(C)CC3)s2)C1,DQWBJDPSIBQYKO-UHFFFAOYSA-N
-rxn:5:189540:225982:226662,COC1CN(Cc2cc(-c3cnc(N4CCOCC4)cc3F)ccc2-c2ccc(N3CCN(C)CC3)s2)C1,CRAUFLLFFMUTKG-UHFFFAOYSA-N
-rxn:5:189540:226382:226898,COC1CN(Cc2cc(-c3cnc(C4CCCCC4)nc3)ccc2-c2cn(S(=O)(=O)N(C)C)nc2C)C1,IMBAQYVDLKPZAP-UHFFFAOYSA-N
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-rxn:5:189665:226661:227297,CN(C)Cc1ccc(F)c(-c2cc(-c3cc(N4CCN(C)CC4)cs3)cnc2OCC2CCOCC2)c1,FKFQQWAIWVQSIO-UHFFFAOYSA-N
-rxn:5:189666:226444:225598,Cc1nc(C2CCCO2)ccc1-c1cc(/C=N/[S@](=O)C(C)(C)C)ccc1-c1cccc(CN2CCSCC2)c1,YYGLKNMDXFALBR-XABMLGTISA-N
-rxn:5:189670:225507:227077,CCC(C)c1ccc(-c2ccc(-c3ccc4c(c3)CCC4C(=O)OC)cc2/C=N/S(=O)C(C)(C)C)c(F)c1,NDHUUUKCEMYZLO-ALQBTCKLSA-N
-rxn:5:189673:226329:222991,CC(C)(C)S(=O)/N=C/c1ccc(-c2ccc(C3(C#N)CC3)c(F)c2)cc1-c1ccc(N2CCCC(O)C2)cc1,XIYBKOVXOPKAIN-XZYGTATASA-N
-rxn:5:189675:225507:227076,CCC(C)c1ccc(F)c(-c2ccc(-c3ccc4c(c3)CCC4C(=O)OC)c(/C=N/S(=O)C(C)(C)C)c2)c1,KFKSIGUCANHHPB-ALQBTCKLSA-N
-rxn:5:189718:223065:223065,O=[N+]([O-])c1cc(-c2ccc(N3CCNCC3)cc2F)c(-c2ccc(N3CCNCC3)cc2F)cc1OC1CCOCC1,JMOKETPFMAXETK-UHFFFAOYSA-N
-rxn:5:189718:226872:226869,O=[N+]([O-])c1cc(-c2cc(F)cc(OC(F)(F)F)c2)c(-c2cc(F)ccc2OC(F)(F)F)cc1OC1CCOCC1,CCPKNKXZMBNSJU-UHFFFAOYSA-N
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-rxn:5:189718:228631:226679,O=[N+]([O-])c1cc(-c2cnc(N3CCCC3)cc2F)c(-c2ccsc2C2CCC2)cc1OC1CCOCC1,UNSMHORNUWLPSZ-UHFFFAOYSA-N
-rxn:5:189827:223138:226913,CCc1cc(-c2ccc(CC(=O)N3CCOCC3)cc2-c2ccnc(C3CCNCC3)c2)cc(C2CC2)c1,DHKIZEQQOQIJLD-UHFFFAOYSA-N
-rxn:5:189908:227795:223006,O=[N+]([O-])c1c(F)ccc(-c2cnc(-c3ccc(F)c(C4CCNCC4)c3)c(OCC3CCCCC3)c2)c1F,MCOPTEKBDIUHQS-UHFFFAOYSA-N
-rxn:5:189909:223064:225834,Fc1cnc(N2CCCCC2)cc1-c1ccc(-c2ccc(C3CCNCC3)nc2F)c(CCN2CCOCC2)c1,PYUJRQCZXPSTBV-UHFFFAOYSA-N
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-rxn:5:189952:223199:227412,COc1c(-c2cccc(C3CCNC3)c2)cc(C(=O)N2CCOCC2)cc1-c1cnc(C(C)(C)C)cc1F,OYQDABMIFSMBLY-UHFFFAOYSA-N
-rxn:5:190097:225452:227561,COc1cc(F)c(-c2ccc(-c3ccc(OC4C=CCCC4)cc3)cc2CCN2CCCCC2)cc1OC,NYHCPDDUAMMFQB-UHFFFAOYSA-N
-rxn:5:190128:227045:227562,COc1ccc(F)c(-c2cc(C(=O)N3CCC(OC)CC3)ccc2-c2cccc(SC(C)(C)C)c2)c1OC,SHVRQPJOMLJYFJ-UHFFFAOYSA-N
-rxn:5:190131:226371:228134,CCOc1ccc(-c2cc(C(=O)N3CCCCC3)cc(-c3cnc(N4CCCC4)cc3C)c2OC)c(C)n1,SRLHXLSWOOLFCO-UHFFFAOYSA-N
-rxn:5:190194:223294:227297,COC1CCN(Cc2cccc(-c3csc(N4CCNCC4)n3)c2-c2cc(CN(C)C)ccc2F)CC1,RNHRUNVUVWASRF-UHFFFAOYSA-N
-rxn:5:190194:223294:227298,COC1CCN(Cc2cccc(-c3csc(N4CCNCC4)n3)c2-c2cc(F)ccc2CN(C)C)CC1,VLNXFBBELCUHMM-UHFFFAOYSA-N
-rxn:5:190194:226661:225976,COC1CCN(Cc2cccc(-c3cc(N4CCN(C)CC4)cs3)c2-c2ccnc(N3CCOCC3)c2F)CC1,VFFURLMZRVDGHA-UHFFFAOYSA-N
-rxn:5:190194:226661:225982,COC1CCN(Cc2cccc(-c3cc(N4CCN(C)CC4)cs3)c2-c2cnc(N3CCOCC3)cc2F)CC1,CCLBKFFHJCQNGW-UHFFFAOYSA-N
-rxn:5:190194:226662:225976,COC1CCN(Cc2cccc(-c3ccc(N4CCN(C)CC4)s3)c2-c2ccnc(N3CCOCC3)c2F)CC1,WOMOAOWNINCLRV-UHFFFAOYSA-N
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-rxn:5:190194:226662:225980,COC1CCN(Cc2cccc(-c3ccc(N4CCN(C)CC4)s3)c2-c2cc(N3CCOCC3)ncc2F)CC1,TWARVYVNVCEOSS-UHFFFAOYSA-N
-rxn:5:190194:226662:225982,COC1CCN(Cc2cccc(-c3ccc(N4CCN(C)CC4)s3)c2-c2cnc(N3CCOCC3)cc2F)CC1,VDEGANAMNNVHTI-UHFFFAOYSA-N
-rxn:5:190194:226662:226658,COC1CCN(Cc2cccc(-c3ccc(N4CCN(C)CC4)s3)c2-c2ccc(N3CCCC3)nc2F)CC1,XPIZLRNNZBZENP-UHFFFAOYSA-N
-rxn:5:190194:226662:226664,COC1CCN(Cc2cccc(-c3ccc(N4CCN(C)CC4)s3)c2-c2cc(N3CCCC3)ncc2F)CC1,RCRUEKHTKBUOQX-UHFFFAOYSA-N
-rxn:5:190194:226662:226679,COC1CCN(Cc2cccc(-c3ccc(N4CCN(C)CC4)s3)c2-c2cnc(N3CCCC3)cc2F)CC1,YNCCCXDAHCKBKC-UHFFFAOYSA-N
-rxn:5:190194:226794:227292,COC1CCN(Cc2cccc(-c3cnc(N4CCSCC4)nc3)c2-c2ccc(F)c(CN(C)C)c2)CC1,WFYMDXCSLRTHQY-UHFFFAOYSA-N
-rxn:5:190194:226794:227297,COC1CCN(Cc2cccc(-c3cnc(N4CCSCC4)nc3)c2-c2cc(CN(C)C)ccc2F)CC1,BLTWTOVXPIRFLJ-UHFFFAOYSA-N
-rxn:5:190194:226794:227299,COC1CCN(Cc2cccc(-c3cnc(N4CCSCC4)nc3)c2-c2cc(F)cc(CN(C)C)c2)CC1,KAIZBEKXWJISID-UHFFFAOYSA-N
-rxn:5:190194:226794:227303,COC1CCN(Cc2cccc(-c3cnc(N4CCSCC4)nc3)c2-c2cccc(CN(C)C)c2F)CC1,PKHUGWHPROMVKG-UHFFFAOYSA-N
-rxn:5:190194:227292:225976,COC1CCN(Cc2cccc(-c3ccc(F)c(CN(C)C)c3)c2-c2ccnc(N3CCOCC3)c2F)CC1,NMCITXPIUUNSOL-UHFFFAOYSA-N
-rxn:5:190194:227292:226794,COC1CCN(Cc2cccc(-c3ccc(F)c(CN(C)C)c3)c2-c2cnc(N3CCSCC3)nc2)CC1,ONAKYNJWNYHUSQ-UHFFFAOYSA-N
-rxn:5:190194:227297:226794,COC1CCN(Cc2cccc(-c3cc(CN(C)C)ccc3F)c2-c2cnc(N3CCSCC3)nc2)CC1,YGHOASWRQJYQHK-UHFFFAOYSA-N
-rxn:5:190194:227299:226794,COC1CCN(Cc2cccc(-c3cc(F)cc(CN(C)C)c3)c2-c2cnc(N3CCSCC3)nc2)CC1,DHDAAVUJLDPQQR-UHFFFAOYSA-N
-rxn:5:190194:227301:226794,COC1CCN(Cc2cccc(-c3ccc(F)cc3CN(C)C)c2-c2cnc(N3CCSCC3)nc2)CC1,NLLOXFREZOSMAA-UHFFFAOYSA-N
-rxn:5:190194:227592:226150,COc1cc(F)cc(-c2cccc(CN3CCC(OC)CC3)c2-c2cccc(SC3CCCC3)c2)c1OC,LJCLLNGZPULTJJ-UHFFFAOYSA-N
-rxn:5:190194:228692:225834,COC1CCN(Cc2cccc(-c3ccc(CN(C)C)s3)c2-c2cc(N3CCCCC3)ncc2F)CC1,OVULLRHRRFOUEH-UHFFFAOYSA-N
-rxn:5:190194:228692:225849,COC1CCN(Cc2cccc(-c3ccc(CN(C)C)s3)c2-c2cnc(N3CCCCC3)cc2F)CC1,VBDCSRMLNGVDMH-UHFFFAOYSA-N
-rxn:5:190194:228692:225880,COC1CCN(Cc2cccc(-c3ccc(CN(C)C)s3)c2-c2cc(C3CCOCC3)ncc2F)CC1,SWDMOCSRFGWLBG-UHFFFAOYSA-N
-rxn:5:190194:228692:225976,COC1CCN(Cc2cccc(-c3ccc(CN(C)C)s3)c2-c2ccnc(N3CCOCC3)c2F)CC1,UMCJACXUWMMTMY-UHFFFAOYSA-N
-rxn:5:190194:228692:225978,COC1CCN(Cc2cccc(-c3ccc(CN(C)C)s3)c2-c2ccc(N3CCOCC3)nc2F)CC1,AURIGKLEKXPFNH-UHFFFAOYSA-N
-rxn:5:190194:228692:225982,COC1CCN(Cc2cccc(-c3ccc(CN(C)C)s3)c2-c2cnc(N3CCOCC3)cc2F)CC1,NTFCBRZBOYJOLB-UHFFFAOYSA-N
-rxn:5:190194:228695:225976,COC1CCN(Cc2cccc(-c3csc(CN(C)C)c3)c2-c2ccnc(N3CCOCC3)c2F)CC1,VAEQJUWOANRFDG-UHFFFAOYSA-N
-rxn:5:190194:228695:225978,COC1CCN(Cc2cccc(-c3csc(CN(C)C)c3)c2-c2ccc(N3CCOCC3)nc2F)CC1,OVGPAGUQXIUCLS-UHFFFAOYSA-N
-rxn:5:190194:228695:225980,COC1CCN(Cc2cccc(-c3csc(CN(C)C)c3)c2-c2cc(N3CCOCC3)ncc2F)CC1,DAIBLZQQTXJZQZ-UHFFFAOYSA-N
-rxn:5:190194:228695:225982,COC1CCN(Cc2cccc(-c3csc(CN(C)C)c3)c2-c2cnc(N3CCOCC3)cc2F)CC1,IEMNMOFZLJVQSR-UHFFFAOYSA-N
-rxn:5:190195:223113:223065,CN(Cc1ccc(-c2ccc3c(c2)C(C)(C)C(=O)N3)c(-c2ccc(N3CCNCC3)cc2F)c1)C1CCOCC1,FMDUPHAYYKIYLR-UHFFFAOYSA-N
-rxn:5:190195:227379:225833,CN(Cc1ccc(-c2cccnc2N2CCCC2)c(-c2ccnc(N3CCCCC3)c2F)c1)C1CCOCC1,NQLIJMSYSNNHLF-UHFFFAOYSA-N
-rxn:5:190196:223113:222987,Cc1nc(C2CCNCC2)ccc1-c1cc(-c2ccc3c(c2)C(C)(C)C(=O)N3)ccc1CN(C)C1CCOCC1,IZMVKAICWFUNCK-UHFFFAOYSA-N
-rxn:5:190198:225589:225672,CN(Cc1c(-c2ccc(CN3CCSCC3)cc2)cccc1-c1cc(F)nc(C2CCCCC2)c1)C1CCOCC1,YYXPNKUXYSPVHE-UHFFFAOYSA-N
-rxn:5:190199:222417:225655,CC1CCN(c2cncc(-c3ccc(-c4cnc(=O)[nH]c4C(C)C)c(CN(C)C4CCOCC4)c3)c2)CC1,BRGQLZHDUPVOST-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:5:190200:228692:222996,CN(C)Cc1ccc(-c2cc(CN(C)C3CCOCC3)cc(-c3ccc(F)cc3C3CCCNC3)c2)s1,KQCDFHYXSMOLMH-UHFFFAOYSA-N
-rxn:5:190200:228692:222998,CN(C)Cc1ccc(-c2cc(CN(C)C3CCOCC3)cc(-c3cc(F)cc(C4CCCNC4)c3)c2)s1,JNEDYSIWQZKTHP-UHFFFAOYSA-N
-rxn:5:190200:228692:223002,CN(C)Cc1ccc(-c2cc(CN(C)C3CCOCC3)cc(-c3ccc(C4CCNCC4)cc3F)c2)s1,KVNUWEQEPWLYEJ-UHFFFAOYSA-N
-rxn:5:190200:228692:223004,CN(C)Cc1ccc(-c2cc(CN(C)C3CCOCC3)cc(-c3ccc(C4CCNCC4)c(F)c3)c2)s1,AMGADHTVOCVOGP-UHFFFAOYSA-N
-rxn:5:190200:228692:225834,CN(C)Cc1ccc(-c2cc(CN(C)C3CCOCC3)cc(-c3cc(N4CCCCC4)ncc3F)c2)s1,JATXYROKWSFNRO-UHFFFAOYSA-N
-rxn:5:190231:223113:227491,COc1c(-c2cnc(OC3CCC3)nc2)cc(C(=O)N2CCOC(C)C2)cc1-c1ccc2c(c1)C(C)(C)C(=O)N2,LUSXXLHVJVSTCH-UHFFFAOYSA-N
-rxn:5:190264:225886:226189,CC1CCN(C(=O)Cc2ccc(-c3ccc(C4CCCC4)c(F)c3)c(-c3ccc4c(ccn4S(C)(=O)=O)c3)c2)CC1,LSQRIBDOINMDHE-UHFFFAOYSA-N
-rxn:5:190264:226132:225886,Cc1cc(C2(C#N)CC2)ccc1-c1cc(CC(=O)N2CCC(C)CC2)ccc1-c1ccc2c(ccn2S(C)(=O)=O)c1,FJLXKJYJWYVLBW-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:5:190307:223010:228694,CCN(C)c1csc(-c2ccc(-c3ccc(C4(O)CCOCC4)cc3)cc2CCN2CCC(C)CC2)c1,GSPOVCJUBCHSMX-UHFFFAOYSA-N
-rxn:5:190307:226060:226155,CC(=O)c1cc(-c2ccc(-c3cc(C4CC4)cc(C4CC4)c3)cc2CCN2CCC(C)CC2)cc(C2CC2)c1,PPQIOAPAYXEVEW-UHFFFAOYSA-N
-rxn:5:190309:226345:226762,COC(=O)c1cc(-c2ccc(-c3cc(SC)cc(C(F)(F)F)c3)c(CCN3CCCCC3C)c2)c(C)cc1C,XDXSABITZYSSSD-UHFFFAOYSA-N
-rxn:5:190335:222983:225832,COc1c(-c2cccc(CN3CCC(O)C3)c2)cc(C(=O)N2CCCCC2C)cc1-c1c(C)nn(C2CCCCO2)c1C,SSWPGUUMFQITGH-UHFFFAOYSA-N
-rxn:5:190335:227371:228274,COc1c(-c2cc(SC)c(C)cc2F)cc(C(=O)N2CCCCC2C)cc1-c1ccc(C)c(OC)c1OC,QUXSAZHBDTWRBE-UHFFFAOYSA-N
-rxn:5:190336:225886:227052,COc1c(-c2ccc(SC(C)(C)C)cc2)cc(C(=O)N2CCCC(C)C2)cc1-c1ccc2c(ccn2S(C)(=O)=O)c1,VMMGWVFYUOCGJF-UHFFFAOYSA-N
-rxn:5:190484:226062:227409,CC(C)c1cc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4cc(C(C)(C)C)ncc4F)S(=O)(=O)CC3)c2)cc(C(C)C)c1,RCDYOMBFCSQTBH-UHFFFAOYSA-N
-rxn:5:190484:226189:227954,O=C(c1cccc(-c2ccc(C3CCCC3)c(F)c2)c1)N1CCC(c2ccccc2-c2ccc(C3CCC3)nc2)S(=O)(=O)CC1,RMRHFVGFNBWIIX-UHFFFAOYSA-N
-rxn:5:190740:225834:225633,CCOC(=O)c1cnc2c(C)cc(-c3cc(N4CCCCC4)ncc3F)cc2c1-c1ccc(N2CCCCCC2)nc1,NSTCTQIWAWUWDP-UHFFFAOYSA-N
-rxn:5:190740:225982:225980,CCOC(=O)c1cnc2c(C)cc(-c3cnc(N4CCOCC4)cc3F)cc2c1-c1cc(N2CCOCC2)ncc1F,NAPQIGBNNKMGFP-UHFFFAOYSA-N
-rxn:5:190741:223056:225834,CCOC(=O)c1cnc2c(-c3ccc(N4CCC(O)CC4)nc3)cc(C)cc2c1-c1cc(N2CCCCC2)ncc1F,PPMQFBXVEVRGRR-UHFFFAOYSA-N
-rxn:5:190741:223056:225982,CCOC(=O)c1cnc2c(-c3ccc(N4CCC(O)CC4)nc3)cc(C)cc2c1-c1cnc(N2CCOCC2)cc1F,MPEBHHKNTKPEAF-UHFFFAOYSA-N
-rxn:5:190742:223010:225655,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(C4(O)CCOCC4)cc3)c2c1-c1cncc(N2CCC(C)CC2)c1,ZIMRBAKDPLQIFP-UHFFFAOYSA-N
-rxn:5:190742:225833:225834,CCOC(=O)c1cnc2c(C)ccc(-c3ccnc(N4CCCCC4)c3F)c2c1-c1cc(N2CCCCC2)ncc1F,CMOSZENDANGWNE-UHFFFAOYSA-N
-rxn:5:190742:225978:223062,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(N4CCOCC4)nc3F)c2c1-c1cnc(C2CCNCC2)cc1F,NBWAAJRCCZWEPM-UHFFFAOYSA-N
-rxn:5:190742:225982:225980,CCOC(=O)c1cnc2c(C)ccc(-c3cnc(N4CCOCC4)cc3F)c2c1-c1cc(N2CCOCC2)ncc1F,KRABTCNNOMSCEJ-UHFFFAOYSA-N
-rxn:5:190743:225655:225849,CCOC(=O)c1cnc2c(C)c(-c3cncc(N4CCC(C)CC4)c3)ccc2c1-c1cnc(N2CCCCC2)cc1F,ATIDLURMNZTPFI-UHFFFAOYSA-N
-rxn:5:190743:225849:223064,CCOC(=O)c1cnc2c(C)c(-c3cnc(N4CCCCC4)cc3F)ccc2c1-c1ccc(C2CCNCC2)nc1F,XDTQSYOJSLBCLD-UHFFFAOYSA-N
-rxn:5:190744:223064:225849,CCOC(=O)c1cnc2c(-c3ccc(C4CCNCC4)nc3F)c(C)ccc2c1-c1cnc(N2CCCCC2)cc1F,FNARRVXHFOTKSV-UHFFFAOYSA-N
-rxn:5:190744:225834:225454,CCOC(=O)c1cnc2c(-c3cc(N4CCCCC4)ncc3F)c(C)ccc2c1-c1ccc(C2=CCN(C)CC2)cc1,XUVPOZDUANZTNT-UHFFFAOYSA-N
-rxn:5:190796:226064:225453,CC(C)(C)OC(=O)n1cc(-c2ccc(C3CCCCC3)cc2)c2c(-c3cccc(SC4CCCCC4)c3)cccc21,VGQHPQHJTQOAFO-UHFFFAOYSA-N
-rxn:5:190832:226366:225834,CCOC(=O)c1cnc2cc(C)c(-c3ccnc(N4CCCCC4)c3)c(C)c2c1-c1cc(N2CCCCC2)ncc1F,ISTGIPAJQIYANH-UHFFFAOYSA-N
-rxn:5:190832:226794:225849,CCOC(=O)c1cnc2cc(C)c(-c3cnc(N4CCSCC4)nc3)c(C)c2c1-c1cnc(N2CCCCC2)cc1F,MRHXAWWPGFBKGH-UHFFFAOYSA-N
-rxn:5:190833:227052:228445,CC(C)(C)OC(=O)N1Cc2c(-c3c(F)cccc3C(F)F)ccc(-c3ccc(SC(C)(C)C)cc3)c2C1=O,JDMJHIBDRXUKLY-UHFFFAOYSA-N
-rxn:5:190859:223202:227052,CC(C)(C)OC(=O)N1CCc2c1ccc(-c1ccc(C3(O)CCC3)cc1)c2-c1ccc(SC(C)(C)C)cc1,DFQGXUFZDAHNRQ-UHFFFAOYSA-N
-rxn:5:190998:223065:223065,COC(=O)c1cc(-c2ccc(N3CCNCC3)cc2F)ccc1N1Cc2cc(-c3ccc(N4CCNCC4)cc3F)ccc2OCC1=O,OPWLMLGBBSREDE-UHFFFAOYSA-N
-rxn:5:190998:225849:223378,COC(=O)c1cc(-c2cnc3c(c2)NCCO3)ccc1N1Cc2cc(-c3cnc(N4CCCCC4)cc3F)ccc2OCC1=O,DEEIFYNDTAIJJD-UHFFFAOYSA-N
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-rxn:5:190998:227546:226826,COC(=O)c1cc(-c2cc(C)cc(C(F)(F)F)c2F)ccc1N1Cc2cc(-c3cccc(C(=O)OC)c3F)ccc2OCC1=O,IIBSMOMZNWBAHO-UHFFFAOYSA-N
-rxn:5:191026:227052:227704,COC(=O)C1=CN(c2ccc(C)c(-c3cc(C(F)F)ncc3OC)c2)c2cc(-c3ccc(SC(C)(C)C)cc3)ccc2S1(=O)=O,PQYLZDSCUYCFQN-UHFFFAOYSA-N
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-rxn:5:192880:223063:226898,Cc1nn(S(=O)(=O)N(C)C)cc1-c1c(-c2cc(F)nc(C3CCNCC3)c2)ccnc1OC1CCCC1,KPADIDBDHULVIZ-UHFFFAOYSA-N
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-rxn:5:193226:227279:226145,CC(C)n1nc(C2CC2)cc1-c1ccc(C(=O)N2CCOCC2)cc1-c1ccc(OC2CCCC2)cc1,JEVMAIYVBFXZGR-UHFFFAOYSA-N
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-rxn:5:193756:225671:226437,CC1CCCCN1C(=O)c1ccc(-c2cc(C3CCCCC3)ncc2F)cc1-c1cc(C2CCCC2)ncc1F,CZVIJXWOKWEMLE-UHFFFAOYSA-N
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-rxn:5:193867:228064:225934,O=C1CCN(C2(c3cc(-c4cnc5c(c4)C(=O)CC5)cc(-c4cnc(C(F)(F)F)c(C5CC5)c4)c3)CC2)CC1,ZQINQDLZTBWEEA-UHFFFAOYSA-N
-rxn:5:193869:227654:223133,Cc1cc(-c2ccc(C3OCCO3)nc2)c(S(=O)(=O)N2CCCCC2)cc1-c1ccccc1N1CCNCC1,NVSBMSGFOYLUIK-UHFFFAOYSA-N
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-rxn:5:193871:225395:225886,CC(C)(C)c1cc(-c2cc(C(=O)N3CCC4(CC3)CC4)ccc2-c2ccc3c(ccn3S(C)(=O)=O)c2)cc(C2CC2)c1,HHSMXAIZIHYPAQ-UHFFFAOYSA-N
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-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:5:193967:229090:225802,CC(=O)c1cc(-c2ccc(CN3CCC4(CC3)OCCO4)c(-c3ccc(OC4CCCC4)nc3F)c2)cs1,NAKPXSWTOSIZFK-UHFFFAOYSA-N
-rxn:5:193972:227968:227069,COc1ccc(-c2cc(S(=O)(=O)N3CCCCCC3)c(-c3cnccc3C3CCC3)cc2C)c(C(C)C)c1,SCZKOIRVOGNQQB-UHFFFAOYSA-N
-rxn:5:193972:228908:226382,COc1cc(-c2cc(C)c(-c3cnc(C4CCCCC4)nc3)cc2S(=O)(=O)N2CCCCCC2)c(F)cn1,PGBUBJCUPOAVHQ-UHFFFAOYSA-N
-rxn:5:193972:229228:226652,Cc1cc(-c2cc(S(=O)(=O)N3CCCCCC3)c(-c3ccsc3C#N)cc2C)n(C2CCCCO2)n1,DOQAFLRQMGBBGV-UHFFFAOYSA-N
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-rxn:5:194058:222987:223054,Cc1nc(C2CCNCC2)ccc1-c1cc2c(OS(=O)(=O)[O-])c[nH]c2cc1-c1ccc(C(C)N2CCC(O)C2)s1,BGOQBJVAWGXFPT-UHFFFAOYSA-M
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-rxn:5:194058:223054:225611,COc1cc(N2CCCC2)ccc1-c1cc2[nH]cc(OS(=O)(=O)[O-])c2cc1-c1ccc(C(C)N2CCC(O)C2)s1,JVUUKFQWYQTASL-UHFFFAOYSA-M
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-rxn:5:194575:225499:226148,C[Si](C)(C)C#Cc1cccc(-c2cc3c(s2)CCN(S(=O)(=O)c2ccccc2-c2ccc(C4CCCCC4)cc2F)C3)c1,XBNXFKAKTWYNIL-UHFFFAOYSA-N
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-rxn:5:194767:223141:227968,O=C1OC2(CCCN(C(=O)c3cc(-c4cncc(C5CCNCC5)c4)ccc3-c3cnccc3C3CCC3)C2)c2ccccc21,OHZCGDVGZVHZFF-UHFFFAOYSA-N
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-rxn:5:194767:226644:227376,O=C1OC2(CCCN(C(=O)c3cc(-c4cncc(N5CCOCC5)c4)ccc3-c3cncc(N4CCCC4)c3)C2)c2ccccc21,IRCLTGKHKMLKOY-UHFFFAOYSA-N
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-rxn:5:194791:225506:229020,Cc1cc(-c2ccc(C3OC4(C(=O)c5ccccc5C4=O)C4C(=O)N(c5ccccc5-c5ccc6c(cnn6CC(C)C)c5)C(=O)C34)cc2)cc(C)n1,CYZZXMCYRMJVGG-UHFFFAOYSA-N
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-rxn:5:196408:222960:226686,Cc1cc(-c2cc(-c3c(C)cnn3C3CCCCO3)ccc2C2=NOCCO2)cc(C2CCNCC2)c1,QMTCOWSEYDYHMS-UHFFFAOYSA-N
-rxn:5:196408:225832:226447,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2ccnc(C3CCOCC3)c2)ccc1C1=NOCCO1,NTJRAOXYTXZIPM-UHFFFAOYSA-N
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-rxn:5:197876:226037:228564,CCC(C)c1ccc(-c2cc3c(cc2-c2ccc(C(F)(F)F)c(OC)c2F)S(=O)(=O)N(C(C)(C)C)C3=O)s1,DOOKUYKFCVUDSE-UHFFFAOYSA-N
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-rxn:5:197876:226079:225945,CC(C)c1ccc2sc(-c3cc4c(cc3-c3ccc(C#CC(F)(F)F)c(F)c3)C(=O)N(C(C)(C)C)S4(=O)=O)cc2c1,XKLOYQFPJBFVIW-UHFFFAOYSA-N
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-rxn:5:197876:227079:227671,Cc1cccc(C(F)(F)F)c1-c1cc2c(cc1-c1cc(CC(C)C)ccc1F)S(=O)(=O)N(C(C)(C)C)C2=O,FXAFTTDYVWBALO-UHFFFAOYSA-N
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-rxn:4:175967:223835,COC(=O)c1cc(-c2cccc(S(C)(=O)=O)c2)ccc1-c1cc(S(=O)(=O)N2CCC(C)CC2)c(C)cc1F,QVOCPHWWPDOCSQ-UHFFFAOYSA-N
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-rxn:4:176161:223822,Cc1ccccc1-c1cc(C(=O)OC(C)(C)C)cc(-c2cc(C(F)(F)F)ccc2C(=O)OCC(C)(C)C)c1,HYPMRBDPVGYWCW-UHFFFAOYSA-N
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-rxn:4:176165:223899,COc1cc(C(=O)N(C(C)C)C(C)C)ccc1-c1cc(C(=O)OC(C)(C)C)cc(-c2cc(C)ccc2F)c1,ABDGHVNYZPMFHA-UHFFFAOYSA-N
-rxn:4:176168:225110,CC(C)[Si](c1c(F)cc(-c2ccc(OC(=O)OC(C)(C)C)cc2)cc1F)(C(C)C)C(C)C,LKEVVRQMRLRFJX-UHFFFAOYSA-N
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-rxn:4:176322:227339,CCC1(CC)CC(C)(C)c2c1cc1c(c2-c2ccc(C)cc2C(=O)OC)C(C)(C)CC1(CC)CC,AWXHHIAAHSHWPK-UHFFFAOYSA-N
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-rxn:4:178207:223498,Cc1ccccc1S(=O)(=O)Cc1ccc(-c2ccc(C(=O)N3CCCN(C(=O)OC(C)(C)C)CC3)cc2)c(F)c1,RKUVTHCCTYLNHY-UHFFFAOYSA-N
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-rxn:4:178597:225005,CC(c1cccc(-c2ccc(OC(=O)C3OC4OC(C)(C)OC4C4OC(C)(C)OC34)cc2)c1)N1CCOCC1,DSEBMOVRHMLVSR-UHFFFAOYSA-N
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-rxn:4:180388:222514,COc1ccc(-c2ccc(C3CCCO3)cc2C2CC2)cc1S(=O)(=O)NC1CCCCC1,BNCRTHDJVAKGHE-UHFFFAOYSA-N
-rxn:4:180390:222514,COc1ccc(-c2ccc(C3CC3)cc2C2CCCO2)cc1S(=O)(=O)NC1CCCCC1,WOLWUBVEWLAMNE-UHFFFAOYSA-N
-rxn:4:180511:223712,COc1ccc(-c2ccc(CC3CCCCC3)c(C)c2)cc1C12CC3CC(CC(C3)C1)C2,NEZBDUTZDSZSBE-UHFFFAOYSA-N
-rxn:4:180815:225053,COc1ccc(-c2ccc(N3CCCCC3C)cc2F)cc1C12CC3CC(CC(C3)C1)C2,PLUWEYIFRQCCMR-UHFFFAOYSA-N
-rxn:4:182376:225872,CO[C@H]1[C@H](C)C[C@@]2(Cc3ccc(-c4cc(F)c(F)c(N5CCCC5)c4)cc3C2=O)C[C@@H]1C,ISGPGJPFWAMWFO-XVBHZQAOSA-N
-rxn:4:182396:224719,CC(C)c1nn(C(=O)OC(C)(C)C)cc1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1,PSDDAANAUQRPQC-UHFFFAOYSA-N
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-rxn:4:183264:223557,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc4c(c3)CCC43CCC(=O)CC3)c(F)ccc21,BBXCODKVZUBNFB-UHFFFAOYSA-N
-rxn:4:183272:226444,Cc1nc(C2CCCO2)ccc1-c1ccc2c(c1)OCCOCCOCCOCCOCCO2,AWMHDUXLSKYIRO-UHFFFAOYSA-N
-rxn:4:183273:223084,OC1CCN(c2ncc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cn2)CC1,XUGJQEBBZMWNEV-UHFFFAOYSA-N
-rxn:4:183381:223522,CC(C)(C)[Si](C)(C)OC1CCN(c2cc(F)cc(-c3cccc4c3-c3ccccc3C43CCCCC3)c2)CC1,JSHPYTSDZYUDED-UHFFFAOYSA-N
-rxn:4:183668:222785,CC(C)(C)OC(=O)Nc1cc(-c2ccc(C(=O)C(C#N)C(=O)OC(C)(C)C)cc2)ccc1F,VALYWACXSMABKR-UHFFFAOYSA-N
-rxn:4:183668:222789,CC(C)(C)OC(=O)Nc1ccc(F)cc1-c1ccc(C(=O)C(C#N)C(=O)OC(C)(C)C)cc1,DQHVJOBMJFIIOD-UHFFFAOYSA-N
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-rxn:4:183695:224502,CN1CCCCC1COc1cccc(-c2cc(OC(F)(F)F)ccc2OCC(=O)N2CCCC2)c1,VRMGHHULMBUATN-UHFFFAOYSA-N
-rxn:4:183695:225173,O=C(COc1ccc(OC(F)(F)F)cc1-c1ccc(C(=O)N2CCCC2)cc1F)N1CCCC1,ZVZPPJWDTQOTDC-UHFFFAOYSA-N
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-rxn:4:183730:224784,O=C(COc1cc(OC(F)(F)F)ccc1-c1cc(OC(F)(F)F)cc2cccnc12)N1CCOCC1,JHHWQQGHMCUYKN-UHFFFAOYSA-N
-rxn:4:183743:223840,CCCCOc1cc(-c2ccc(OC)c(S(=O)(=O)N3CCN(C)CC3)c2)ccc1C(=O)N1CCC1,VUFBNAWRFZDUEL-UHFFFAOYSA-N
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-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:4:183820:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2ccc(OCC(C)(C)C(=O)OC(C)(C)C)nc2)cc1,ZWYMGGCUZLWPBJ-UHFFFAOYSA-N
-rxn:4:183837:222700,COC(=O)C1CCN(C(=O)COc2ccc(-c3ccc(C(F)(F)F)cc3C3CCCNC3)cc2)CC1,HTKHOKFHMZGOTN-UHFFFAOYSA-N
-rxn:4:183837:224594,COC(=O)C1CCN(C(=O)COc2ccc(-c3ccccc3C3CCCCN3C(C)=O)cc2)CC1,KOEVLSJQKOGTQY-UHFFFAOYSA-N
-rxn:4:183880:226488,CC(C)(C)OC(=O)N1CC(COc2ccc(-c3ccc(OCCCF)c(F)c3)cc2F)C1,IMCGISYUZJKLSU-UHFFFAOYSA-N
-rxn:4:183892:227464,CCCCSc1ncc(-c2cc(OCCN3CCC(F)(F)CC3)cc(C(=O)OC)c2)cn1,CERBLNBUENDMHP-UHFFFAOYSA-N
-rxn:4:183900:224272,CC(C)N(Cc1ccc(F)cc1-c1cc2ccncc2n1C(=O)OC(C)(C)C)C(=O)OC(C)(C)C,FUTPBRNYGLCCLZ-UHFFFAOYSA-N
-rxn:4:183910:224100,COC(=O)c1cc(OCCN2CCOC(C)C2)cc(-c2ccccc2OCCN2CCC(C)CC2)c1,JBRBGBXYFLCEJC-UHFFFAOYSA-N
-rxn:4:183915:222998,CC1CCN(CCOc2ccc(OC(F)(F)F)cc2-c2cc(F)cc(C3CCCNC3)c2)CC1,DUDHNFOFFZOQDA-UHFFFAOYSA-N
-rxn:4:183922:223891,CC(=O)Oc1ccc(N(C(C)=O)S(=O)(=O)c2ccc(C)cc2)cc1-c1c(F)ccc2c1ccn2[Si](C)(C)C(C)(C)C,SDBVYHQUYAWENN-UHFFFAOYSA-N
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-rxn:4:183928:223774,COc1cccc2c1cc(-c1ccc(C(C)N(C(=O)OC(C)(C)C)C3CC3)cc1)n2C(=O)OC(C)(C)C,ORDXKMFWZBMIBQ-UHFFFAOYSA-N
-rxn:4:183928:223886,CC(c1ccc(-c2cccc3c2CCN(C(=O)OC(C)(C)C)C3)cc1)N(C(=O)OC(C)(C)C)C1CC1,SEYUNSYSOCBHMS-UHFFFAOYSA-N
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-rxn:4:183934:222817,COC(=O)C1CCN(CCCc2ccccc2-c2cc(S(=O)(=O)NC3CC3)ccc2OC)CC1,JWYDJWSXOWLCIX-UHFFFAOYSA-N
-rxn:4:183963:225829,Cc1cccc(OCC2CN(C(=O)OC(C)(C)C)C2)c1-c1cnc(N2CCC(C)CC2)nc1,TXBNLYRHGWFNNA-UHFFFAOYSA-N
-rxn:4:183966:222813,CC(C)(C)OC(=O)Nc1ncc(-c2cc(Cl)cc(OCC3CCN(C(=O)OC(C)(C)C)C3)c2)cc1Cl,NETGKMLVHJWUFY-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:4:183969:222621,CCOC(=O)C1CCN(S(=O)(=O)c2ccc(-c3cc(CC(C)C)nc(C4CCCNC4)c3)c(OC)c2)CC1,ZMQVMJKBLFVHDX-UHFFFAOYSA-N
-rxn:4:183984:222539,Cc1cc(-c2ccc3c(c2)CC(NC(=O)OC(C)(C)C)C3)ccc1CN(C(=O)OC(C)(C)C)C(C)C,AIWYSLINSYHRDX-UHFFFAOYSA-N
-rxn:4:184001:226062,COC(=O)C1(c2ccc(-c3cc(C(C)C)cc(C(C)C)c3)cc2Cl)CCN(C(=O)OC(C)(C)C)C1,FFEZQZAJGAJIQV-UHFFFAOYSA-N
-rxn:4:184027:223745,CN(CCc1ccccc1)C(=O)c1ccc(-c2ccc(OCC3CCN(C(=O)OC(C)(C)C)CC3)c(F)c2)cc1,DFPFLAKBACGRSK-UHFFFAOYSA-N
-rxn:4:184027:225728,CCCCOc1ccc(-c2ccc(OCC3CCN(C(=O)OC(C)(C)C)CC3)c(F)c2)c(F)c1F,OLZYQVUHEODLCM-UHFFFAOYSA-N
-rxn:4:184027:225901,Cc1nn(C(=O)OC(C)(C)C)cc1-c1ccc(OCC2CCN(C(=O)OC(C)(C)C)CC2)c(F)c1,MMEHURYXOMCSIX-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:4:184061:224421,Cc1ccc(C(=O)C(C)OC(=O)C2CC(=O)N(c3ccc(-c4c(C(C)C)cc(C(C)C)cc4C(C)C)cc3)C2)cc1,OYRRSTNPAONPLL-UHFFFAOYSA-N
-rxn:4:184070:228415,COC(=O)C1(c2ccc(-c3cc(F)ccc3C(F)F)cc2C)CCN(C(=O)OC(C)(C)C)C1,DBUOFBCKGRQUAB-UHFFFAOYSA-N
-rxn:4:184085:224847,Cc1c(OCC2CCN(C(=O)OC(C)(C)C)CC2)cccc1-c1cc(C(C)(C)C)ccc1C(C)(C)C,JZGFJJNAMCCMQH-UHFFFAOYSA-N
-rxn:4:184093:225279,Cc1nn(C(=O)OC(C)(C)C)c(C)c1-c1ccc(C(=O)N(Cc2ccc(C(C)C)cc2)C2CCS(=O)(=O)C2)cc1,NAKILJWZOCMJPB-UHFFFAOYSA-N
-rxn:4:184204:222833,CC(C)CCC(=O)Nc1cccc(-c2cc(OCc3ccccc3)cc3c2CN(C(=O)OC(C)(C)C)CC3)c1,ITSXAKRXUREOBQ-UHFFFAOYSA-N
-rxn:4:184208:226062,CC(C)c1cc(-c2ccc(CN(C(=O)OC(C)(C)C)C3CCCC3)c3ccccc23)cc(C(C)C)c1,MEUBPEKIWHQCBQ-UHFFFAOYSA-N
-rxn:4:184223:223978,Cc1ccc(C(=O)C(C)OC(=O)c2cc(-c3ccc(-c4ccc(C(=O)OC(C)(C)C)c(C(F)(F)F)c4)cc3)nc3ccc(C)cc23)cc1,RKHJCAATJOAOIO-UHFFFAOYSA-N
-rxn:4:184394:224168,CCN(C(=O)OC(C)(C)C)c1cccc(-c2cc(CC(=O)OC)cc(C(F)F)c2C#N)c1,DHWSSMGVEUQUHC-UHFFFAOYSA-N
-rxn:4:184533:223499,COC(=O)Cc1c(OC)ccc(-c2ccc(Cl)c(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)c1C#N,AZCGXQJMUKBVKN-UHFFFAOYSA-N
-rxn:4:184714:223577,COCCS(=N)(=O)c1cc(-c2ccc(OC3CCN(C(=O)OC(C)(C)C)CC3)cc2)ccc1OC,SBZKDUVDHOSBHG-UHFFFAOYSA-N
-rxn:4:184763:224431,COC(=O)c1ccc(-c2c(C)cccc2CN(C(C)C)C(C)C)n1C(=O)OC(C)(C)C,XIKIMUGHZDYYTA-UHFFFAOYSA-N
-rxn:4:184805:222524,COC(=O)c1cc(Oc2ccc(F)cc2F)c(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC(O)CC2)cc1[N+](=O)[O-],XSZPZWPIYLOJBJ-UHFFFAOYSA-N
-rxn:4:184889:225341,CCOc1ccc(OC(F)(F)F)c(-c2ccc(CN3CC(C(=O)OC)C3)c(C(F)(F)F)c2)c1,HETGBYQYWUEWPF-UHFFFAOYSA-N
-rxn:4:184918:223842,CC1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2ccccc2OCCCN2CCC(F)(F)C2)CC1,FHCRERVXENSTHT-UHFFFAOYSA-N
-rxn:4:184955:223831,COc1ccc(-c2ccc(OCCCN3CCOCC3)c(Cl)c2)cc1S(=O)(=O)N1CCC(C)CC1,OOANIHNNHPANBW-UHFFFAOYSA-N
-rxn:4:184964:222827,CN(C(=O)OC(C)(C)C)c1cc(-c2cc(F)c(S(=O)(=O)NC3CC3)cc2F)cc(C(F)(F)F)c1,HMYNGDKRSAXXQS-UHFFFAOYSA-N
-rxn:4:185062:224246,CC1CCN(C(=O)c2ccc(-c3cc(Cl)cc(F)c3OCCN3CCC(C(F)(F)F)CC3)cc2F)CC1,KIPHOZYGQBCQPA-UHFFFAOYSA-N
-rxn:4:185102:225813,Cc1c(-c2ccc(C(=O)N(CC(C)C)C3CCS(=O)(=O)C3)o2)cc(F)c(OC(C)C)c1F,DNFADOVAGIARLL-UHFFFAOYSA-N
-rxn:4:185107:222635,CC(C)S(=O)(=O)c1ncc(-c2cccc([C@H](C)NC(=O)OC(C)(C)C)c2)cc1C(=O)OC(C)(C)C,VMSHPJIKPWPTCG-KRWDZBQOSA-N
-rxn:4:185126:225353,COC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2CO[Si](C)(C)C(C)(C)C)cc1C(F)(F)F,GRURSINCRXQQIL-UHFFFAOYSA-N
-rxn:4:185130:224359,CCN(CC)C(=O)c1cc(-c2cccc(CC3CN(C(=O)OC(C)(C)C)C3)c2)cc([N+](=O)[O-])c1,OZDNARIRYZMBPD-UHFFFAOYSA-N
-rxn:4:185131:222867,COc1ccc(-c2ccc(NC(=O)OC(C)(C)C)cc2)cc1S(=O)(=O)N(C(C)C)C(C)C,UHUXFJNJSAHUKH-UHFFFAOYSA-N
-rxn:4:185131:223975,COc1ccc(-c2cn(C(=O)OC(C)(C)C)c3ccc(Cl)nc23)cc1S(=O)(=O)N(C(C)C)C(C)C,KVLJITJXKHUPFC-UHFFFAOYSA-N
-rxn:4:185135:225334,COC(=O)C1CCN(CCc2cc(-c3ccc(F)cc3COCC(F)(F)F)ccc2Cl)CC1,AQXMHONMOGUXSS-UHFFFAOYSA-N
-rxn:4:185135:226003,COC(=O)c1ccc([N+](=O)[O-])cc1-c1ccc(Cl)c(CCN2CCC(C(=O)OC)CC2)c1,RISGXORFWCQPLI-UHFFFAOYSA-N
-rxn:4:185143:225279,Cc1nn(C(=O)OC(C)(C)C)c(C)c1-c1ccc(N(C(=O)CC(C)C)C2C=CS(=O)(=O)C2)cc1,ACNOLLZUVBRNMF-UHFFFAOYSA-N
-rxn:4:185143:226852,COc1ncc(-c2ccc(N(C(=O)CC(C)C)C3C=CS(=O)(=O)C3)cc2)cc1C(F)(F)F,OVRYPIJQYCQNJK-UHFFFAOYSA-N
-rxn:4:185144:223139,CCOC(=O)C1CCN(S(=O)(=O)c2ccc(-c3ccc(C4CCNCC4)nc3)cc2)CC1,DKZKFBLEXCFTNJ-UHFFFAOYSA-N
-rxn:4:185147:224188,CC(C)CS(=O)(=O)C1CN(S(=O)(=O)c2ccccc2-c2ccc(C(=O)N(C(C)C)C(C)C)cc2Cl)C1,LVCREBOWJSKIDI-UHFFFAOYSA-N
-rxn:4:185160:225801,COC(=O)c1ccc(-c2ccnc(OC3CCCC3)c2Cl)c(CN2CCCC(C(F)(F)F)C2)c1,OFEIPJJHWBUHIM-UHFFFAOYSA-N
-rxn:4:185162:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2ccc(C(F)(F)F)cc2C2CN(C(=O)OC(C)(C)C)C2)cc1,HHUBHVAMHGRFQX-UHFFFAOYSA-N
-rxn:4:185165:222787,CC(C)(C)OC(=O)Nc1ccc(-c2ccc(C(F)(F)F)c(C3CN(C(=O)OC(C)(C)C)C3)c2)c(Cl)c1,BANJOHWGHKEBTO-UHFFFAOYSA-N
-rxn:4:185177:225324,CC(C)CCn1cc(-c2ccc(CN(C(=O)c3ccc(Cl)cc3)C3CCS(=O)(=O)C3)o2)c(C(F)(F)F)n1,NEXUHLCPODQOIN-UHFFFAOYSA-N
-rxn:4:185197:223788,Cc1ccc(-c2ccc(OC3CN(C(=O)OC(C)(C)C)C3)cc2)cc1OC1CN(C(=O)OC(C)(C)C)C1,QGICHGJTAYEETF-UHFFFAOYSA-N
-rxn:4:185199:223867,COC(=O)c1cc(CN2CCC(OC)CC2)cc(-c2cccc(OCCCN3CCC(C)CC3)c2)c1,RYWUOKAIGHVQHK-UHFFFAOYSA-N
-rxn:4:185201:224834,COc1cc(C2CN(C(=O)OC(C)(C)C)C2)ccc1-c1cn(S(=O)(=O)N(C)C)nc1C(F)(F)F,ILEOFDOWUQWPRA-UHFFFAOYSA-N
-rxn:4:185201:225436,COc1cc(C2CN(C(=O)OC(C)(C)C)C2)ccc1-c1ccc(CN2CCCCC2)cc1,QFTFQLIZSWTWFE-UHFFFAOYSA-N
-rxn:4:185202:223935,COc1cc(-c2cc3cccc(F)c3n2C(=O)OC(C)(C)C)ccc1C1CN(C(=O)OC(C)(C)C)C1,YDORHEZQYFMMAE-UHFFFAOYSA-N
-rxn:4:185259:223761,CC(C)c1ccc(OCC(=O)N2CCCCC2)c(-c2ccc(C3CCCN3C(=O)OC(C)(C)C)cc2)c1,HYDMZDRPURPJGM-UHFFFAOYSA-N
-rxn:4:185259:224502,CC(C)c1ccc(OCC(=O)N2CCCCC2)c(-c2cccc(OCC3CCCCN3C)c2)c1,XCMYMTZDMKULEA-UHFFFAOYSA-N
-rxn:4:185273:225991,Cc1ccc(C(=O)N(Cc2ccc(-c3cc(C(F)(F)F)nn3CC(C)C)o2)C2CCS(=O)(=O)C2)cc1,AZSHMYDFGIRJOW-UHFFFAOYSA-N
-rxn:4:185276:224421,Cc1ccc(CN(C(=O)c2ccccc2-c2c(C(C)C)cc(C(C)C)cc2C(C)C)C2CCS(=O)(=O)C2)o1,RHLWVFGVSWRWOZ-UHFFFAOYSA-N
-rxn:4:185307:222700,CCCOc1cc(S(=O)(=O)N2CCCC(C)C2)ccc1-c1ccc(C(F)(F)F)cc1C1CCCNC1,NMHSZQCCEYZGJE-UHFFFAOYSA-N
-rxn:4:185309:223525,CC(C)(C)OC(=O)N1CCC(Oc2cccc(-c3cccc(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c3)c2)CC1,ORUGSIFZMKAHRT-UHFFFAOYSA-N
-rxn:4:185315:223649,CC(C)(C)OC(=O)N1CCN(c2cccc(-c3ccc(C4CC4)c(C4CN(C(=O)OC(C)(C)C)C4)c3)c2)CC1,NQEABGUIQHAPQM-UHFFFAOYSA-N
-rxn:4:185317:223534,CC(C)(C)OC(=O)N1CCC(Oc2cc(-c3cc(C4CN(C(=O)OC(C)(C)C)C4)ccc3C3CC3)c(F)cn2)CC1,JAPJJZXPFAPQFW-UHFFFAOYSA-N
-rxn:4:185317:226541,COC(=O)c1ccc(-c2cc(C3CN(C(=O)OC(C)(C)C)C3)ccc2C2CC2)cc1OC,BVQHZYBCKSLATF-UHFFFAOYSA-N
-rxn:4:185323:224254,CC1CCCN(C(=O)c2cc(-c3ccc(OC4CCN(C(=O)OC(C)(C)C)CC4)c(F)c3)ccc2F)C1,WJZXAFHUHHNVCX-UHFFFAOYSA-N
-rxn:4:185355:222787,CC(C)(C)OC(=O)Nc1ccc(-c2cccc(C(=O)C3CCN(C(=O)OC(C)(C)C)CC3)c2)c(Cl)c1,WHJLZBZBOYHAFL-UHFFFAOYSA-N
-rxn:4:185355:223526,CC(C)(C)OC(=O)N1CCC(C(=O)c2cccc(-c3ccc(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)cc3)c2)CC1,BXQTWHNKYHXPAI-UHFFFAOYSA-N
-rxn:4:185355:225232,CC1CCN(c2cc(-c3cccc(C(=O)C4CCN(C(=O)OC(C)(C)C)CC4)c3)cnc2Cl)CC1,PFDYKCOOHZVDIA-UHFFFAOYSA-N
-rxn:4:185355:225876,CC(C)(C)OC(=O)N1CCC(C(=O)c2cccc(-c3cc(Cl)ccc3N3CCOCC3)c2)CC1,MXKWYVUNJLPZDA-UHFFFAOYSA-N
-rxn:4:185367:226512,CC1CCN(C(=O)COc2ccc(C(C)C)cc2-c2ccncc2OCC2CCO2)CC1,PDDFJGJOEILWCO-UHFFFAOYSA-N
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-rxn:4:187494:224160,CC(C)(C)OC(=O)N1CCOC(c2ccc(-c3ccc4c(c3)CCN4C(=O)OC(C)(C)C)cc2)C1,FSRMCFPNZRLAGO-UHFFFAOYSA-N
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-rxn:4:187663:226511,Cc1cc(-c2cc(Cl)cnc2OCC2CC2)ccc1C1CCCN(C(=O)OC(C)(C)C)C1,HGATYYMNVAENIO-UHFFFAOYSA-N
-rxn:4:187665:222810,CC1CN(C(=O)OC(C)(C)C)CCC1c1cccc(-c2cc(NC(=O)OC(C)(C)C)ncc2Cl)c1,RPBNIYUCJSBVQK-UHFFFAOYSA-N
-rxn:4:187721:223490,COC(=O)CCc1c[nH]c2ccc(-c3ccc(C)c(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c3)cc12,FIZGXWJNPXGPSW-UHFFFAOYSA-N
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-rxn:4:187847:225928,Cc1ccc(-c2cc3c(cc2C(F)F)N(C(=O)OC(C)(C)C)CC3)cc1S(=O)(=O)N(C)C,WQCAIYIEVHDGLM-UHFFFAOYSA-N
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-rxn:4:187918:224710,CCCCOc1cc(-c2cc3c(c(OC)c2)OCCN(C(=O)OC(C)(C)C)C3)cc(C(F)(F)F)c1,XEQAPFDMPWOHAR-UHFFFAOYSA-N
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-rxn:4:187961:222635,COC(=O)Cc1cc2c(n1-c1ccc(-c3cccc([C@H](C)NC(=O)OC(C)(C)C)c3)cc1)CC(C)(C)CC2=O,PBXCNUBLSPKRTH-FQEVSTJZSA-N
-rxn:4:187961:223891,COC(=O)Cc1cc2c(n1-c1ccc(-c3c(F)ccc4c3ccn4[Si](C)(C)C(C)(C)C)cc1)CC(C)(C)CC2=O,XOCPWLJGRKTXHG-UHFFFAOYSA-N
-rxn:4:188474:223843,CCN(CC)S(=O)(=O)c1ccc(-c2nc(C(=O)OC)ccc2C(F)(F)F)c(C(F)(F)F)c1,PSSWEQVHHLAMBQ-UHFFFAOYSA-N
-rxn:4:188681:223753,Cc1ccc(-c2ccc(OC(F)(F)F)c(S(N)(=O)=O)c2)cc1OCCCN1CCN(C)CC1,HPECSBUYRNXDAZ-UHFFFAOYSA-N
-rxn:4:189752:224806,CN(C1CC1)S(=O)(=O)c1ccc(-c2c(C(F)(F)F)ccc(F)c2C(=O)N2CCCC2)c(F)c1,NEFSXGGVNUWNOI-UHFFFAOYSA-N
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-rxn:4:189944:223697,O=S(=O)(Cc1cccc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2C(F)(F)F)c1)N1CCOCC1,HROCNAXSFPQOSY-UHFFFAOYSA-N
-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:4:190276:225304,CN(C(=O)c1ccc(-c2cc(C(F)(F)F)cnc2C(C)(C)C)cc1)C1(C)CCS(=O)(=O)C1,WGLAQDVWCWUDDG-UHFFFAOYSA-N
-rxn:4:190319:223867,CC1CCN(CCCOc2cccc(-c3ccc(S(=O)(=O)N(C)C4CCCCC4)cc3)c2)CC1,PEFLBBYNZORZCR-UHFFFAOYSA-N
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-rxn:4:190379:223892,COc1cc(S(=O)(=O)N2CCCC(C)C2)ccc1-c1ccc(OCCCN2CCN(C)CC2)cc1,GUKZBIOQLZJLJA-UHFFFAOYSA-N
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-rxn:4:190847:223834,Cc1cc(-c2csc3c2CN(C(=O)OC(C)(C)C)CC3)cc(C)c1S(=O)(=O)N1CCN(C)CC1,FEJXFCRIRQSFSY-UHFFFAOYSA-N
-rxn:4:190848:224327,CC1CCCN(S(=O)(=O)c2cccc(-c3ccc4c(c3)CCC4(C#N)O[Si](C)(C)C)c2)C1,SZOBXWHQZIAZKY-UHFFFAOYSA-N
-rxn:4:190869:222922,CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc2c(c1)N(C(=O)OC(C)(C)C)C(=O)CO2,UAGPFHRPHVXUMS-UHFFFAOYSA-N
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-rxn:4:207081:225518,CCCCCOc1ncc(C)cc1-c1cncc(C(=O)N2CC3(COC(C)(C)OC3)C2)c1,MTKPSWCFOPIAQE-UHFFFAOYSA-N
-rxn:4:207747:222847,CC(=O)N=C1SC2CS(=O)(=O)CC2N1c1ccc(-c2cc(C#N)cc(C3CCCNC3)c2)cc1,SEOAPPYZOIFBFX-UHFFFAOYSA-N
-rxn:4:207779:222722,O=S(=O)(c1cccc(-c2ccc(S(=O)(=O)N3CCN4CCC3CC4)cc2)c1)N1CCC(O)CC1,ZRQDLJOGSHVCMW-UHFFFAOYSA-N
-rxn:4:207959:222486,Cc1ccc(C2=NN3C(C2)c2cc(-c4cncc(-c5cncc(C6CCCCN6)c5)c4)ccc2OC3C2CCCCC2)cc1,XFLMTCNDBYUXCN-UHFFFAOYSA-N
-rxn:4:209216:223536,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cnc(N4CCOCC4)s3)cc(F)c2F)CC1,LCQYSZXFHUNQPW-UHFFFAOYSA-N
-rxn:4:209217:223529,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3csc(N4CCSCC4)n3)cc2F)CC1,AGBYQDKKTAWCRY-UHFFFAOYSA-N
-rxn:4:209217:223531,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3csc(N4CCSCC4)n3)cc2Cl)CC1,MGFAZCFZHBTAHP-UHFFFAOYSA-N
-rxn:4:209235:223529,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ncc(N4CCOCC4)s3)cc2F)CC1,HEUGDNUYXFMAKU-UHFFFAOYSA-N
-rxn:4:209235:223531,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ncc(N4CCOCC4)s3)cc2Cl)CC1,WULNMLPMMBGDTJ-UHFFFAOYSA-N
-rxn:4:209235:223536,CC(C)(C)OC(=O)N1CCN(c2cc(-c3ncc(N4CCOCC4)s3)cc(F)c2F)CC1,MJYBVWCFFDTITL-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:4:211060:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc2c(c1)CCCC2N1CCN(C)CC1,GMOVSISHWOIIKR-UHFFFAOYSA-N
-rxn:4:211101:226446,Cc1ccc(C2=NN3C(C2)c2cc(-c4ccc(C5CCOC5)nc4C)ccc2OC32CCC(C)CC2)cc1,BCGXPHQLWUFIID-UHFFFAOYSA-N
-rxn:4:212542:225212,CCOCC(=O)N1CCCC(Oc2ncc(-c3cc(F)cc(N4CCN(C)CC4)c3)cn2)C1,ZAJNZEMQKIEFAR-UHFFFAOYSA-N
-rxn:4:212542:225566,CCOCC(=O)N1CCCC(Oc2ncc(-c3ccc(OCC4(C)COC4)cc3)cn2)C1,IGMLJMRZNNVSSZ-UHFFFAOYSA-N
-rxn:4:212542:225875,CCOCC(=O)N1CCCC(Oc2ncc(-c3ccc(N4CCOCC4)cc3Cl)cn2)C1,HQMBXYIAZXFHBJ-UHFFFAOYSA-N
-rxn:4:212587:223679,CCOc1ccc(S(=O)(=O)N2CC(Cn3cc(-c4cc(C)c(S(=O)(=O)N5CCN(CC)CC5)c(C)c4)cn3)C2)cc1,UWGKJZWDTYYETR-UHFFFAOYSA-N
-rxn:4:212593:223079,CC(C)NS(=O)(=O)c1cccc(-c2ccc(C(=O)N(C)C3CN(C(=O)OC(C)(C)C)C3)cn2)c1,XNWKQBPPJKBKJR-UHFFFAOYSA-N
-rxn:4:212593:225947,CN1CCN(c2ncc(-c3ccc(C(=O)N(C)C4CN(C(=O)OC(C)(C)C)C4)cn3)cn2)CC1,XRJKUUIFHIRAIO-UHFFFAOYSA-N
-rxn:4:212607:225875,CCC(CC)C(=O)N1CCC(Oc2ncc(-c3ccc(N4CCOCC4)cc3Cl)cn2)CC1,GEGFBIVMSGHNEH-UHFFFAOYSA-N
-rxn:4:212620:223790,CC(C)(C)OC(=O)N1CCCC1c1cncc(-c2cc(F)ccc2CC(=O)N2CCC(COc3ncccn3)CC2)c1,INYUSAJSWHXBEI-UHFFFAOYSA-N
-rxn:4:212620:224775,O=C(Cc1ccc(F)cc1-c1cnc(C(F)(F)F)c(C2CCCC2)c1)N1CCC(COc2ncccn2)CC1,OUPRZOBKFKJNIZ-UHFFFAOYSA-N
-rxn:4:212622:225286,CC(C)(C)OC(=O)c1cnc(F)cc1-c1cnc(OCC2CCCN(C(=O)Cc3ccc(F)cc3)C2)nc1,FGQYKOJJDLQJSO-UHFFFAOYSA-N
-rxn:4:212639:225979,CC(C)(C)OC(=O)N1CCN(C(=O)Cc2cncc(-c3cnc(N4CCOCC4)c(Cl)c3)c2)CC1,SMFLRNFKJSURQG-UHFFFAOYSA-N
-rxn:4:212653:226539,CCOC(=O)c1ccc(Cl)cc1-c1nc(C(=O)OC)ccc1N1CCN(C(=O)OC(C)(C)C)CC1,LJJXHWYMSBTDHI-UHFFFAOYSA-N
-rxn:4:212685:223200,COC(=O)c1ccc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C5CCNC5)cc4)cc3)CC2)c([N+](=O)[O-])c1,QRCCLTVGVUXQBD-UHFFFAOYSA-N
-rxn:4:212685:224018,COC(=O)c1ccc(N2CCN(S(=O)(=O)c3ccc(-c4cc(F)c(F)cc4S(=O)(=O)N4CCOCC4)cc3)CC2)c([N+](=O)[O-])c1,MSCFEFLQOKRXOW-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:4:212729:223994,COc1ccc(-c2noc(C3CCCN(S(=O)(=O)c4ccc(-c5cc(S(=O)(=O)N6CCN(C)CC6)ccc5C)cc4)C3)n2)cc1OC,KGYFAMYSODEUIC-UHFFFAOYSA-N
-rxn:4:212730:222996,COc1ccc(-c2noc(C3CCCN(S(=O)(=O)c4ccc(-c5ccc(F)cc5C5CCCNC5)cc4)C3)n2)c(OC)c1,OXXPUFJVUUGWOO-UHFFFAOYSA-N
-rxn:4:212738:223504,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)c([N+](=O)[O-])c3)cc2N2CCOCC2)CC1,NRWMAPLCELCURT-UHFFFAOYSA-N
-rxn:4:212738:224160,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc4c(c3)CCN4C(=O)OC(C)(C)C)cc2N2CCOCC2)CC1,GZYKMFQDRMNQEU-UHFFFAOYSA-N
-rxn:4:212739:223884,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc4c(c3)CCN(C(=O)OC(C)(C)C)C4)cc2N2CCCCC2)CC1,CVPGMCZUBWKLAS-UHFFFAOYSA-N
-rxn:4:212739:224280,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cc4c(s3)CCN(C(=O)OC(C)(C)C)C4)cc2N2CCCCC2)CC1,YRQPIMXJQYGQST-UHFFFAOYSA-N
-rxn:4:212753:223481,CCOC(=O)c1c(OCc2ccccc2)cc(-c2ccc(S(=O)(=O)N3CCC(O[Si](C)(C)C(C)(C)C)CC3)cc2F)c2ncnn12,ZAYWNWVIAIYOFL-UHFFFAOYSA-N
-rxn:4:212774:222537,CN(C)CCN(C(=O)c1ccccc1-c1cc(C2CCCC2)nc(C2CCCNC2)c1)c1nc2c(Cl)cccc2s1,TZIGCJVDUDRSEN-UHFFFAOYSA-N
-rxn:4:212905:224653,CC(C)(C)OC(=O)N1CC(Oc2nccc(-c3ccc(Cl)cc3OCC3CCCCO3)n2)C1,NVVZRAVIHUEOHR-UHFFFAOYSA-N
-rxn:4:212927:222722,N#Cc1nc(COc2ccc(-c3cccc(S(=O)(=O)N4CCC(O)CC4)c3)cc2)oc1N1CCOCC1,HWOZWNFWWDSYKA-UHFFFAOYSA-N
-rxn:4:212967:223812,O=C(C1CC1)N1CCC(COc2ncc(-c3cc(F)cc(CN4CCC5(CC4)OCCO5)c3)cn2)CC1,MZHKAJPWJDVCJZ-UHFFFAOYSA-N
-rxn:4:212984:225341,CCOc1ccc(OC(F)(F)F)c(-c2cnccc2OC2CCN(C(=O)c3ccc(C(F)(F)F)nc3)C2)c1,GJTIQDGFKBFELG-UHFFFAOYSA-N
-rxn:4:212988:223501,CC(C)(C)OC(=O)N1CCN(C(=O)c2csc(-c3ccc(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c(Cl)c3)n2)CC1,STNJFZGGQIWKPX-UHFFFAOYSA-N
-rxn:4:212989:223529,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ncc(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)s3)cc2F)CC1,FKBVYLGKVYMMPT-UHFFFAOYSA-N
-rxn:4:212989:227465,COCCOc1cncc(-c2ncc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)s2)c1,KYWRGTRKSFZXLL-UHFFFAOYSA-N
-rxn:4:213006:224718,COc1ccc(-c2ccc(OCCN3CCOCC3)nc2)c(C(=O)N2CCC(Oc3ncc(F)cn3)C2)c1,YZDASZMULVTPLI-UHFFFAOYSA-N
-rxn:4:213010:223650,CC(C)(C)OC(=O)N1CCN(c2ccccc2-c2cnn(C[C@@H]3CN(C(=O)OC(C)(C)C)CCO3)c2)CC1,CXSFLTVBPGRRKP-QFIPXVFZSA-N
-rxn:4:213062:225369,COC(=O)c1cc(-c2cnc(OC3CCN(C(=O)Cc4ccc(F)cc4F)CC3)nc2)c(Cl)c([N+](=O)[O-])c1,OHRDJKJDSISQFP-UHFFFAOYSA-N
-rxn:4:213065:224189,COc1cc(-c2cnc(OC3CCCN(C(=O)c4ccc(C(F)(F)F)cc4)C3)nc2)ccc1O[Si](C)(C)C(C)(C)C,WTVLIAKPMVFXHO-UHFFFAOYSA-N
-rxn:4:213072:225361,CC(C)(C)OC(=O)N1CCCC(Cn2cc(-c3cn(C4CCCC4)nc3C(F)(F)F)cn2)C1,GPYCWOVIGINTLO-UHFFFAOYSA-N
-rxn:4:213072:226716,CC(C)(C)OC(=O)N1CCCC(Cn2cc(-c3ccn(C(=O)OC(C)(C)C)n3)cn2)C1,UDAQAIWUUDEDMT-UHFFFAOYSA-N
-rxn:4:213076:224360,COC(=O)c1ccc(-c2cnn(-c3ccc(S(=O)(=O)N(C(C)C)C(C)C)cc3)c2)n1C(=O)OC(C)(C)C,FMSXOPWHBMITGS-UHFFFAOYSA-N
-rxn:4:213097:223648,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc(C4(C#N)CCN(C(=O)OC(C)(C)C)CC4)nc3)cc2)CC1,KJCGPFXOSQQYLI-UHFFFAOYSA-N
-rxn:4:213100:224269,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cn(C(=O)OC(C)(C)C)c4cnccc34)c(C(F)(F)F)n2)CC1,LJLXOUXGNAJPGA-UHFFFAOYSA-N
-rxn:4:213100:225312,CN1CCCN(c2ncc(-c3cn(C4CCN(C(=O)OC(C)(C)C)CC4)nc3C(F)(F)F)cn2)CC1,PHMASGRVOIHYOX-UHFFFAOYSA-N
-rxn:4:213100:225898,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cnn(CCN4CCOCC4)c3)c(C(F)(F)F)n2)CC1,LYJQAFAJYYCTMR-UHFFFAOYSA-N
-rxn:4:213106:224594,COc1ccc(-c2ccccc2C2CCCCN2C(C)=O)c(C(=O)N2CCCC(Oc3ccncn3)C2)c1,BVTCTXCXACEKSL-UHFFFAOYSA-N
-rxn:4:213112:222700,Cc1ccc(OCC2CCN(S(=O)(=O)c3ccccc3-c3ccc(C(F)(F)F)cc3C3CCCNC3)C2)nn1,YHVIHXATYWVGBN-UHFFFAOYSA-N
-rxn:4:213116:224753,Cc1ccc(S(=O)(=O)N2CCCC2)cc1-c1cnc(OCC2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)nc1,TYGQKFPDARTZRN-UHFFFAOYSA-N
-rxn:4:213123:224089,CC1CCN(CCOc2ccc(-c3ccccc3CC(=O)N3CCN(c4ccnc(C(F)(F)F)c4)C(=O)C3)cc2)CC1,PLWNUMOLYJAQAP-UHFFFAOYSA-N
-rxn:4:213126:222852,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cccc(CN4CCC(O)CC4)c3)nc2)CC1,YAXXWNFHNJMKCV-UHFFFAOYSA-N
-rxn:4:213132:226259,CCCCOc1ccc(-c2cnc(OCC3CCCN(C(=O)C(C)(C)C)C3)nc2)cc1Cl,OFONGQGXWILEQX-UHFFFAOYSA-N
-rxn:4:213134:225898,CCC(C)(C)C(=O)N1CCC(Oc2ncc(-c3cnn(CCN4CCOCC4)c3)cn2)CC1,MBZTZXCOPAJVFF-UHFFFAOYSA-N
-rxn:4:213135:222773,CC(C)(C)CC(=O)N1CCC(Oc2ncc(-c3ccc(C(=O)NC4CCOCC4)cc3)cn2)CC1,YSFDCWYWUKGIHC-UHFFFAOYSA-N
-rxn:4:213141:226714,CC(C)(C)OC(=O)N1CCN(c2ccc([N+](=O)[O-])c(-c3ccnn3C(=O)OC(C)(C)C)c2)CC1,BYXAYYWAMCTQCH-UHFFFAOYSA-N
-rxn:4:213150:223997,Cc1cc(-c2ccc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)nc2)cc(C)c1S(=O)(=O)N1CCOCC1,ZZLSEYUDQUNVRT-UHFFFAOYSA-N
-rxn:4:213152:224247,COc1ccc(-c2ccc(C(=O)N3CCC(C)CC3)cc2F)cc1CN1CCC(Oc2ncc(F)cn2)CC1,LCIJPDHBLIGKSM-UHFFFAOYSA-N
-rxn:4:213202:222723,Cc1ccc(OCC2CCN(S(=O)(=O)c3ccccc3-c3cccc(NS(=O)(=O)N4CCOCC4)c3)CC2)nn1,UAKBALOVRFUGTO-UHFFFAOYSA-N
-rxn:4:213213:225593,CN(c1cccc(-c2cc(F)cc(CN3CCCC3)c2)n1)C1CCN(C(=O)OC(C)(C)C)CC1,XSFIYHKNBYBXLE-UHFFFAOYSA-N
-rxn:4:213218:223935,C[C@H]1CN(Cc2ccc(-c3cc4cccc(F)c4n3C(=O)OC(C)(C)C)cn2)CCN1C(=O)OC(C)(C)C,HEJXYUNZFLPLBV-IBGZPJMESA-N
-rxn:4:213222:225898,CC(C)(C)c1csc(CN2CCN(C(=O)c3ccc(-c4cnn(CCN5CCOCC5)c4)o3)CC2)n1,CTWBOLOIUUSUEG-UHFFFAOYSA-N
-rxn:4:213228:223084,CC1CN(S(=O)(=O)c2cncc(-c3cnc(N4CCC(O)CC4)nc3)c2)CCN1C(=O)OC(C)(C)C,QYQVKMDLNQZQHW-UHFFFAOYSA-N
-rxn:4:213228:224290,CC1CN(S(=O)(=O)c2cncc(-c3ccc(Cl)cc3OCCN3CCOCC3)c2)CCN1C(=O)OC(C)(C)C,LWRRMYVDHXDLGM-UHFFFAOYSA-N
-rxn:4:213236:223061,COc1ccc(S(=O)(=O)N2CCCC(Oc3ncc(-c4cc(C5CCNCC5)ncc4F)cn3)C2)cc1C,YLXCHXPBPTZIQQ-UHFFFAOYSA-N
-rxn:4:213251:222848,CCc1cc(-c2cc(S(=O)(=O)N3CCCCC3)cnc2N(C)Cc2ccccc2)cc(C2CCCNC2)n1,YMXWGMQRJPCQLL-UHFFFAOYSA-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:4:213278:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCCC(c5nc(-c6cccc(OC)c6)no5)C4)cc3)cc2)CC1,DPTSDZBLQCKWLB-UHFFFAOYSA-N
-rxn:4:213278:224327,COc1cccc(-c2noc(C3CCCN(S(=O)(=O)c4ccc(-c5cccc(S(=O)(=O)N6CCCC(C)C6)c5)cc4)C3)n2)c1,SZBKMSASNBIMTR-UHFFFAOYSA-N
-rxn:4:213281:226639,Cc1nccn1-c1cncc(-c2cccnc2OC2CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)CC2)c1,AZWKAZGDJSSCMP-UHFFFAOYSA-N
-rxn:4:213320:223061,COC(=O)c1nc(-c2cc(C3CCNCC3)ncc2F)n2c1CN(C(=O)OC(C)(C)C)CC2,OQWQEWPQKDDGLM-UHFFFAOYSA-N
-rxn:4:213349:223591,CC(C)(C)OC(=O)N1CCN(c2ccc(F)c(-c3nn(Cc4ccccc4)c4c3CN(C(=O)OC(C)(C)C)C4)c2)CC1,FGVGEONDQCIVOS-UHFFFAOYSA-N
-rxn:4:213363:224660,COc1ccc2sc(OC3CCN(C(=O)c4cncc(-c5ccc(C(=O)N6CCN(C)CC6)cc5)c4)CC3)nc2c1,XQMXOQFZACVHFY-UHFFFAOYSA-N
-rxn:4:213363:224686,COc1ccc2sc(OC3CCN(C(=O)c4cncc(-c5ccc(C(=O)N6CCCCC6)cc5F)c4)CC3)nc2c1,SSCWTDQGSXEJQC-UHFFFAOYSA-N
-rxn:4:213581:223670,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2cnc(OCCN3CCOCC3)nc2)CC1,ZDKZNIFEHKUTLL-UHFFFAOYSA-N
-rxn:4:213601:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2cc(N(C)C(=O)OC(C)(C)C)nn2C)cc1,ALTGPSJNQZMVOV-UHFFFAOYSA-N
-rxn:4:213629:224617,CC(C)(C)OC(=O)N1CC(n2nccc2-c2ccc(OCCN3CCCC3)c(Cl)c2)C1,YCQYYOAKGZECSJ-UHFFFAOYSA-N
-rxn:4:213629:224619,CC(C)(C)OC(=O)N1CC(n2nccc2-c2ccc(OCCN3CCCC3)c(F)c2)C1,FBCKOOKICQDHAV-UHFFFAOYSA-N
-rxn:4:213659:223784,CCOC(=O)C1CCCN(c2ncc(-c3ccc(OCCN4CCN(CC)CC4)c(F)c3)cn2)C1,YNEMBTGHVAUGER-UHFFFAOYSA-N
-rxn:4:213659:223787,CCOC(=O)C1CCCN(c2ncc(-c3ccc(OCCCN4CCN(C)CC4)c(F)c3)cn2)C1,CVYRNNUKINFWKH-UHFFFAOYSA-N
-rxn:4:213659:224312,CCOC(=O)C1CCCN(c2ncc(-c3ccc(F)c(C(=O)N4CCN(C)CC4)c3)cn2)C1,FHHLHQCYAWZXDT-UHFFFAOYSA-N
-rxn:4:213659:224313,CCOC(=O)C1CCCN(c2ncc(-c3ccc(Cl)c(C(=O)N4CCN(C)CC4)c3)cn2)C1,QMLBLJVRFIQZQU-UHFFFAOYSA-N
-rxn:4:213659:224316,CCOC(=O)C1CCCN(c2ncc(-c3cc(F)cc(C(=O)N4CCN(C)CC4)c3)cn2)C1,FRARWVOGEDFXSD-UHFFFAOYSA-N
-rxn:4:213659:224588,CCOC(=O)C1CCCN(c2ncc(-c3cc(F)cc(CN4CCC(C)CC4)c3)cn2)C1,YYPHZTGYGFFWRA-UHFFFAOYSA-N
-rxn:4:213659:224663,CCOC(=O)C1CCCN(c2ncc(-c3ccc(CN4CCN(C)CC4)c(F)c3)cn2)C1,ARJSPDOTFRCZFF-UHFFFAOYSA-N
-rxn:4:213659:224664,CCOC(=O)C1CCCN(c2ncc(-c3cc(F)cc(CN4CCN(C)CC4)c3)cn2)C1,CDJKYHGSWLDENW-UHFFFAOYSA-N
-rxn:4:213659:224665,CCOC(=O)C1CCCN(c2ncc(-c3ccc(F)cc3CN3CCN(C)CC3)cn2)C1,BBTKDVUQMXQOEL-UHFFFAOYSA-N
-rxn:4:213659:224666,CCOC(=O)C1CCCN(c2ncc(-c3ccc(F)c(CN4CCN(C)CC4)c3)cn2)C1,FLZAADJDBVIDSY-UHFFFAOYSA-N
-rxn:4:213663:223531,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cnc(C4CN(C(=O)OC(C)(C)C)C4)nc3)cc2Cl)CC1,FKIFMDWZMLSROL-UHFFFAOYSA-N
-rxn:4:213663:224617,CC(C)(C)OC(=O)N1CC(c2ncc(-c3ccc(OCCN4CCCC4)c(Cl)c3)cn2)C1,QVZNFNVUNVLDFD-UHFFFAOYSA-N
-rxn:4:213663:224619,CC(C)(C)OC(=O)N1CC(c2ncc(-c3ccc(OCCN4CCCC4)c(F)c3)cn2)C1,BMPGMASBHJNBHK-UHFFFAOYSA-N
-rxn:4:213708:223812,O=C(c1cccc(-c2cc(F)cc(CN3CCC4(CC3)OCCO4)c2)c1)N1CCC(Oc2ncc(Cl)cn2)C1,WLKPAUIZZWKTOA-UHFFFAOYSA-N
-rxn:4:213721:223491,CC(C)(C)OC(=O)N1CCN(c2cc(-c3ccn(C4CCN(C(=O)OC(C)(C)C)C4)n3)cc(C(F)(F)F)c2)CC1,ZVKAKZGEBXYHOS-UHFFFAOYSA-N
-rxn:4:213758:223972,CC1CCCCN1c1ccc(-c2cnc(CCC3CCCCN3S(C)(=O)=O)cn2)c(C(F)(F)F)c1,JWFWYGBXFIRDLR-UHFFFAOYSA-N
-rxn:4:213759:223536,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cnc(C4CCCN4C(=O)OC(C)(C)C)cn3)cc(F)c2F)CC1,WWMYCXOYRIGNEB-UHFFFAOYSA-N
-rxn:4:213765:223575,CC(C)(C)OC(=O)N1CCN(Cc2ccccc2-c2cncc(C3CCN(C(=O)OC(C)(C)C)C3)n2)CC1,ONXURXPHYYOMKY-UHFFFAOYSA-N
-rxn:4:213766:225899,Cc1cc(-c2coc(N3CCN(C(=O)OC(C)(C)C)CC3)n2)n(C(=O)OC(C)(C)C)n1,BDFXRWLXTSAENZ-UHFFFAOYSA-N
-rxn:4:213769:225093,CCCOc1c(Cl)cc(-c2cnc(C3CCCN3C(=O)OC(C)(C)C)nc2)cc1OCC,URVSRIMJUOWYRE-UHFFFAOYSA-N
-rxn:4:213778:225165,CCN1CCN(c2ccc(-c3ccc(N4CCOCC4)c(OC)c3)c(C(=O)OC)n2)CC1,ZVCCMYKOYIGWPX-UHFFFAOYSA-N
-rxn:4:213798:222546,CC(C)(C)OC(=O)N1CCOC(c2cnc(-c3ccc(OCCNC4CCCCC4)c(F)c3)cn2)C1,GXODBAAXBAQLOR-UHFFFAOYSA-N
-rxn:4:213801:223491,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cncc(C4CN(C(=O)OC(C)(C)C)CCO4)n3)cc(C(F)(F)F)c2)CC1,NYIQEMNVEIJGLV-UHFFFAOYSA-N
-rxn:4:213801:223787,CN1CCN(CCCOc2ccc(-c3cncc(C4CN(C(=O)OC(C)(C)C)CCO4)n3)cc2F)CC1,WUEYRPDBIBVGRK-UHFFFAOYSA-N
-rxn:4:213805:223530,CC(C)(C)OC(=O)N1CCN(Cc2ccc(F)cc2-c2cnc(C3CN(C(=O)OC(C)(C)C)CCO3)nc2)CC1,XRXCKGIDOSNIJM-UHFFFAOYSA-N
-rxn:4:213812:222584,Cc1ccc(OC2CCN(C(=O)c3ccc(-c4ccc(OCCCN5CCNCC5)c(F)c4)o3)CC2)nn1,YKADYGMRENLQOU-UHFFFAOYSA-N
-rxn:4:213816:223872,CCN(C(=O)c1cccc(-c2cccc(C(=O)N3CCCC(Oc4ncccn4)C3)c2)c1)C1CCCCC1,APDIKZJAMXLLLT-UHFFFAOYSA-N
-rxn:4:213843:223593,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4=O)c3)cc2Cl)CC1,POOYBLFKBDMAGJ-UHFFFAOYSA-N
-rxn:4:213868:224752,Cc1cc(S(=O)(=O)N2CCCC2)ccc1-c1cnc(OC2CCCN(S(=O)(=O)c3cccc(Cl)c3)C2)nc1,PFURQFNUCRQRMY-UHFFFAOYSA-N
-rxn:4:213871:222719,O=S(=O)(c1ccc(F)c(F)c1)N1CCCC(Oc2ncc(-c3cc(C4CCCNC4)nc(C(F)(F)F)c3)cn2)C1,ABMSNIMZXJNFAK-UHFFFAOYSA-N
-rxn:4:213874:223972,CC1CCCCN1c1ccc(-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)c(C(F)(F)F)c1,PKHHRDSNPATHSJ-UHFFFAOYSA-N
-rxn:4:213874:224187,CC(C)(C)OC(=O)N1CCN(c2cc(-c3ccc(OCCN4CCCCC4)cc3F)ccn2)CC1,CHQDIHIETBYOIG-UHFFFAOYSA-N
-rxn:4:213875:223507,CC(C)(C)OC(=O)N1CCN(c2cccc(-c3ccccc3S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)n2)CC1,YOMVWQPUKQYICS-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:4:213875:225829,CC1CCN(c2ncc(-c3cccc(N4CCN(C(=O)OC(C)(C)C)CC4)n3)cn2)CC1,WTOZQXZNZSLLRQ-UHFFFAOYSA-N
-rxn:4:213877:222584,CC(C)(C)OC(=O)N1CCN(c2ccnc(-c3ccc(OCCCN4CCNCC4)c(F)c3)c2)CC1,XJMDFAUSRPEALP-UHFFFAOYSA-N
-rxn:4:213877:223646,CC(C)(C)OC(=O)N1CCN(c2ccnc(-c3ccc(OC4CCN(C(=O)OC(C)(C)C)C4)cc3)c2)CC1,ULIOHJQTVBEZHC-UHFFFAOYSA-N
-rxn:4:213889:222997,CC(C)(C)OC(=O)N1CCCC(c2cc(-c3ccc(Cl)cc3C3CCCNC3)ncn2)C1,MKVNYDQNJDWEKD-UHFFFAOYSA-N
-rxn:4:213889:223935,CC(C)(C)OC(=O)N1CCCC(c2cc(-c3cc4cccc(F)c4n3C(=O)OC(C)(C)C)ncn2)C1,KPCYBHULVBVCGW-UHFFFAOYSA-N
-rxn:4:213910:225253,CCOC(=O)c1ccc2ncc(-c3cccnc3OC3CCN(S(=O)(=O)N4CCOCC4)C3)cn12,OXFYVPAZKJUIOL-UHFFFAOYSA-N
-rxn:4:213927:222584,Cc1cc(OC2CCN(C(=O)c3ccc(-c4ccc(OCCCN5CCNCC5)c(F)c4)o3)CC2)nc(C)n1,SWENDVGRZFJCSA-UHFFFAOYSA-N
-rxn:4:213944:223934,CC1CN(C(=O)OC(C)(C)C)CCC1c1ncc(-c2cc3ccc(F)cc3n2C(=O)OC(C)(C)C)[nH]1,VDERADBPUUMOOA-UHFFFAOYSA-N
-rxn:4:213971:224672,CCN1CCN(c2ccc(-c3cc(C(F)(F)F)cnc3N3CCOC(C(=O)N4CCOCC4)C3)c(Cl)c2)CC1,DQMCDPWWLNRSDY-UHFFFAOYSA-N
-rxn:4:213974:223526,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3cccc(N4CCCN(C(=O)OC(C)(C)C)CC4)n3)cc2)CC1,HVYDUGJYFYOHKI-UHFFFAOYSA-N
-rxn:4:213974:223683,CC(C)(C)OC(=O)N1CCCN(c2cccc(-c3cnc(OC4CCN(C(=O)OC(C)(C)C)C4)nc3)n2)CC1,UMZSXSYJNLPSRJ-UHFFFAOYSA-N
-rxn:4:213974:223775,COc1ccc2c(c1)c(-c1cccc(N3CCCN(C(=O)OC(C)(C)C)CC3)n1)cn2C(=O)OC(C)(C)C,KQBZGVNLRITYHW-UHFFFAOYSA-N
-rxn:4:213985:225294,CCN1CCN(c2ncc(-c3cc(C)cnc3N3CCN(C(=O)OC(C)(C)C)CC3)cn2)CC1,SRJDLCCQRJIEBN-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:4:214018:222776,CC(=O)N1N=C(c2ccc(-c3ccc(CN4CCC(O)CC4)cc3F)cc2)CC1c1ccc(N(C)C)cc1,GQSVDMMWHSQUKL-UHFFFAOYSA-N
-rxn:4:214021:222788,Cc1cc(C)nc(OC2CCCN(C(=O)c3ccccc3-c3ccc(NC(=O)OC(C)(C)C)cc3F)C2)n1,XHTNEPYDWOMNHY-UHFFFAOYSA-N
-rxn:4:214036:223480,Cc1cc(-c2ccc(C3=NN(S(C)(=O)=O)C(c4ccc(N(C)C)cc4)C3)cc2)cc(C)c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,VKCNMGOOENXVJB-UHFFFAOYSA-N
-rxn:4:214036:223491,CN(C)c1ccc(C2CC(c3ccc(-c4cc(N5CCN(C(=O)OC(C)(C)C)CC5)cc(C(F)(F)F)c4)cc3)=NN2S(C)(=O)=O)cc1,SXQBUUANAFIWAF-UHFFFAOYSA-N
-rxn:4:214038:225296,Cc1ccc(S(=O)(=O)N2CCCC(Oc3ncc(-c4ccc(S(=O)(=O)N5CCCC5)cc4)cn3)C2)cc1C,YLRVFDONYUSPHH-UHFFFAOYSA-N
-rxn:4:214065:224488,Cc1nn(C(=O)c2ccc(-c3ccc(C(=O)N(C(C)C)C(C)C)cc3)cc2)c(C)c1S(=O)(=O)N1CCC(C)CC1,FWBJWDMMYJYNSZ-UHFFFAOYSA-N
-rxn:4:214074:223136,Cc1nn(S(=O)(=O)c2ccc(-c3ccncc3C3CCCNC3)cc2)c(C)c1S(=O)(=O)N1CCCC(C)C1,CTTVULVILNUVRC-UHFFFAOYSA-N
-rxn:4:214074:226255,CCCCOc1ccc(Cl)cc1-c1ccc(S(=O)(=O)n2nc(C)c(S(=O)(=O)N3CCCC(C)C3)c2C)cc1,OBSUUFVHTOYXMP-UHFFFAOYSA-N
-rxn:4:214180:223498,CC(C)(C)OC(=O)N1CCCN(C(=O)c2ccc(-c3ccc4cc(C5CN(C(=O)OC(C)(C)C)C5)nn4c3)cc2)CC1,HMIDTKVSAXSPBG-UHFFFAOYSA-N
-rxn:4:214180:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3ccc4cc(C5CN(C(=O)OC(C)(C)C)C5)nn4c3)cc21,XPZLTJOCOWVFJS-UHFFFAOYSA-N
-rxn:4:214183:224720,CC(C)(C)OC(=O)N1CC(c2ncn3cc(-c4cn(C(=O)OC(C)(C)C)nc4C4CC4)ccc23)C1,PHMSYKYIPUGLMB-UHFFFAOYSA-N
-rxn:4:214201:223652,COc1ccc(Cl)c2cc(-c3ccc(N4CC5CC(C4)N5C(=O)OC(C)(C)C)nc3)n(C(=O)OC(C)(C)C)c12,NFIBCLCRABJUFV-UHFFFAOYSA-N
-rxn:4:214220:224719,CC(C)c1nn(C(=O)OC(C)(C)C)cc1-c1ccc2[nH]c(C3CCCN3C(=O)OC(C)(C)C)nc2c1,SPYRPZROTDBGPM-UHFFFAOYSA-N
-rxn:4:214231:225980,CC(C)(C)OC(=O)N1CCOC(c2cn3c(-c4cc(N5CCOCC5)ncc4F)cccc3n2)C1,LPLKITIUNVPEFP-UHFFFAOYSA-N
-rxn:4:214457:223534,CN(C)CCn1cc(-c2cc(OC3CCN(C(=O)OC(C)(C)C)CC3)ncc2F)cn1,NHQVQDPTDJNKRJ-UHFFFAOYSA-N
-rxn:4:214477:222462,CN(C)S(=O)(=O)n1cc(-c2c(F)cc3nc(NC(=O)OC(C)(C)C)sc3c2F)c(C(F)(F)F)n1,IITNUVVCSXSQQR-UHFFFAOYSA-N
-rxn:4:214662:223787,CN1CCN(CCCOc2ccc(-c3c(C(=O)N4CCC(C(F)(F)F)CC4)cnn3C)cc2F)CC1,SPGBTJFSLFHPAX-UHFFFAOYSA-N
-rxn:4:214683:223953,CCN1CCN(C(=O)c2ncc(-c3cc(F)cc(N4CCN(CCOC)CC4)c3)cc2Cl)CC1,FIAWWKKUWQCDTO-UHFFFAOYSA-N
-rxn:4:214710:222778,CCN1CCN(S(=O)(=O)c2cncc(-c3cncc(CNC(=O)OC(C)(C)C)c3)c2)CC1,OJRJBHWOGNVJRC-UHFFFAOYSA-N
-rxn:4:214731:222913,O=S(=O)(NCc1ccc(-c2cccnc2N2CCN(S(=O)(=O)C3CC3)CC2)cc1)C1CC1,NAAHESXLJINPIF-UHFFFAOYSA-N
-rxn:4:214773:224648,CC(C)N1CCN(S(=O)(=O)c2cncc(-c3ccc(O[Si](C)(C)C(C)(C)C)cc3Cl)c2)CC1,RNLHUDLIGICBNI-UHFFFAOYSA-N
-rxn:4:214830:222612,O=C(C1CN(c2ccc(-c3cc(S(=O)(=O)N4CCC(O)CC4)ccc3F)cn2)CCO1)N1CCSCC1,OQKCGJGAQAFUNL-UHFFFAOYSA-N
-rxn:4:214830:223028,CCCNC(=O)c1ccc(F)c(-c2ccc(N3CCOC(C(=O)N4CCSCC4)C3)nc2)c1,XRDCVNOYGNWQBJ-UHFFFAOYSA-N
-rxn:4:214830:224672,CCN1CCN(c2ccc(-c3ccc(N4CCOC(C(=O)N5CCSCC5)C4)nc3)c(Cl)c2)CC1,UGIAUONDRJOKAP-UHFFFAOYSA-N
-rxn:4:214830:226255,CCCCOc1ccc(Cl)cc1-c1ccc(N2CCOC(C(=O)N3CCSCC3)C2)nc1,GXZWOROSJBMJBU-UHFFFAOYSA-N
-rxn:4:214835:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cc(Cl)cnc3N3CCOC(C(=O)N4CCOCC4)C3)ccn2)CC1,HNWXSKYWQDGXBY-UHFFFAOYSA-N
-rxn:4:214835:225278,COC(=O)c1ccc(C(=O)OC)c(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCOCC3)C2)c1,DINGRNPMWLUFAQ-UHFFFAOYSA-N
-rxn:4:214835:225353,COC(=O)c1ccc(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCOCC3)C2)cc1C(F)(F)F,ZJQRYIIELDFJBQ-UHFFFAOYSA-N
-rxn:4:214835:225572,COC(=O)c1ccc(C2CC2)cc1-c1cc(Cl)cnc1N1CCOC(C(=O)N2CCOCC2)C1,AQDZYRSBDFWHHN-UHFFFAOYSA-N
-rxn:4:214835:225754,COC(=O)c1cc(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCOCC3)C2)c(C2CC2)cn1,BKASZIPRPPAXCP-UHFFFAOYSA-N
-rxn:4:214836:225313,CN1CCN(c2ccc(-c3cc(Cl)cnc3N3CCOC(C(=O)N4CCSCC4)C3)c(F)n2)CC1,HCXNWCALPKGMOA-UHFFFAOYSA-N
-rxn:4:214837:223670,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2cnc(N3CCOC(C(=O)N4CCSCC4)C3)c(Cl)c2)CC1,DBZMRUSEMUAVIF-UHFFFAOYSA-N
-rxn:4:214837:226231,CCCCOc1ncc(-c2cnc(N3CCOC(C(=O)N4CCSCC4)C3)c(Cl)c2)cc1C,MTAPWXYUFXIMMP-UHFFFAOYSA-N
-rxn:4:214838:223481,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCOC(C(=O)N5CCOCC5)C4)c(F)c3)c(F)c2)CC1,BOJJZBOQJUFKGD-UHFFFAOYSA-N
-rxn:4:214838:226231,CCCCOc1ncc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)c(F)c2)cc1C,DSLXMHQMIJFBOV-UHFFFAOYSA-N
-rxn:4:214839:226088,CCN(CC)Cc1ccc(-c2cnc(N3CCOC(C(=O)N4CCSCC4)C3)c(F)c2)cc1,ZMMIFOKEJAAJFN-UHFFFAOYSA-N
-rxn:4:214852:224306,O=C(c1cncc(-c2ccc(C(F)(F)F)cc2OC2CCCC2)c1)N1CCC(N2CCCC2)CC1,ALRTYVUAQIFWOP-UHFFFAOYSA-N
-rxn:4:214852:224599,O=C(c1ccc(F)c(-c2cncc(C(=O)N3CCC(N4CCCC4)CC3)c2)c1)C1CCCCC1,WLYPFPGFZVZWLD-UHFFFAOYSA-N
-rxn:4:214852:225222,CC1CCCCN1c1cc(-c2cncc(C(=O)N3CCC(N4CCCC4)CC3)c2)c(F)cn1,MMONTAGABINUOH-UHFFFAOYSA-N
-rxn:4:214852:225389,CCC(C)c1cc(-c2cncc(C(=O)N3CCC(N4CCCC4)CC3)c2)cc(C2CC2)c1,XCKRLZHJQHPUJH-UHFFFAOYSA-N
-rxn:4:214853:223076,N#Cc1c(-c2cccc(S(=O)(=O)NC3CC3)c2)cccc1N1CCN(C2CCCC2)CC1,SSDIQHSMXZXGIZ-UHFFFAOYSA-N
-rxn:4:214862:225727,CCOC(=O)c1ccc(OC)c(-c2cncc(C(=O)N3CCCN(C4CCSC4)CC3)c2)c1,OIJWTYKILNDGLA-UHFFFAOYSA-N
-rxn:4:214867:222634,Cc1cc(-c2ccc(OCCNC3CCCC3)c(F)c2)cnc1N1CCOC(C(=O)N2CCCC2)C1,VCZIHQBYKFUOQS-UHFFFAOYSA-N
-rxn:4:214870:224015,Cc1cc(F)c(-c2cc(Cl)cnc2N2CCCC(C(=O)N3CCOCC3)C2)cc1S(=O)(=O)N1CCOCC1,IEXKUCVFHRTEAB-UHFFFAOYSA-N
-rxn:4:214871:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2cnc(N3CCCC(C(=O)N4CCOCC4)C3)c(Cl)c2)CC1,BLLJOTXITGCEAQ-UHFFFAOYSA-N
-rxn:4:214872:225518,CCCCCOc1ncc(C)cc1-c1cc(Cl)cnc1N1CCOC(C(=O)N2CCCCC2)C1,BCXHIRLKLMXBAC-UHFFFAOYSA-N
-rxn:4:214872:226259,CCCCOc1ccc(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCCCC3)C2)cc1Cl,BQCPEMJYUQOYMB-UHFFFAOYSA-N
-rxn:4:214873:226792,O=C(C1CCCN(c2ncc(-c3cnc(N4CCOCC4)nc3)cc2F)C1)N1CCOCC1,BULZHWXSMCLICG-UHFFFAOYSA-N
-rxn:4:215054:222912,CC(C)CNS(=O)(=O)c1ccc(-c2ncn3c2CCN(C(=O)OC(C)(C)C)C3=O)cc1,MPUGWDMQMSOMBG-UHFFFAOYSA-N
-rxn:4:215097:223594,CC1CN(C(=O)OC(C)(C)C)Cc2cnc(-c3cc(Cl)cc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)n21,OLRDFVNYORFZNI-UHFFFAOYSA-N
-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:4:215189:224970,CC(C)(C)C(=O)N1CCN(c2nc3ccc(-c4ccc(S[Si](C)(C)C(C)(C)C)cc4)cc3s2)CC1,VFJQCJBCEMRMFV-UHFFFAOYSA-N
-rxn:4:215304:226374,Cc1ccc(C2=NN3C(C2)c2cc(-c4cncnc4C4CCCCC4)ccc2OC32CCN(Cc3ccccc3)CC2)cc1,CCFZSWICRSORBE-UHFFFAOYSA-N
-rxn:4:215509:223536,CC(C)(C)OC(=O)N1CCN(c2cc(-c3ccc(N4CC(C#N)C4)nc3)cc(F)c2F)CC1,NWAPUMILYHGRFW-UHFFFAOYSA-N
-rxn:4:215617:223532,CN1CC(Oc2nccc(-c3cc(F)cc(CN4CCN(C(=O)OC(C)(C)C)CC4)c3)n2)C1,CKBKYXSJHZIXFE-UHFFFAOYSA-N
-rxn:4:215618:223522,CN1CC(Oc2ccnc(-c3cc(F)cc(N4CCC(O[Si](C)(C)C(C)(C)C)CC4)c3)n2)C1,DXWOJUKNIJPHHT-UHFFFAOYSA-N
-rxn:4:215618:223527,CN1CC(Oc2ccnc(-c3ccc(F)cc3CN3CCN(C(=O)OC(C)(C)C)CC3)n2)C1,BSUGRLPDXDWRKA-UHFFFAOYSA-N
-rxn:4:215618:223532,CN1CC(Oc2ccnc(-c3cc(F)cc(CN4CCN(C(=O)OC(C)(C)C)CC4)c3)n2)C1,JUTWJSQDNSIKEO-UHFFFAOYSA-N
-rxn:4:215620:223522,CN1CC(Oc2cnc(-c3cc(F)cc(N4CCC(O[Si](C)(C)C(C)(C)C)CC4)c3)cn2)C1,QRQALJOCOPXHQO-UHFFFAOYSA-N
-rxn:4:215620:223532,CN1CC(Oc2cnc(-c3cc(F)cc(CN4CCN(C(=O)OC(C)(C)C)CC4)c3)cn2)C1,JRCGEQCDHLHTKV-UHFFFAOYSA-N
-rxn:4:215798:223695,C=C1CCN(c2ncc(-c3cccc(S(=O)(=O)N4CCC5(CC4)OCCO5)c3)cc2C#N)CC1,IIXYLLZJUINWLM-UHFFFAOYSA-N
-rxn:4:215896:223830,CCN1CCN(S(=O)(=O)c2cc(-c3cc([N+](=O)[O-])ccc3N3CCN(C)CC3)ccc2C)CC1,VCOMQTKLZDWPDB-UHFFFAOYSA-N
-rxn:4:215907:222633,CN1CCN(S(=O)(=O)c2ccc(-c3ccc(C(=O)NCCN4CCCC4)cc3)cn2)CC1,FFQDPTRPPBKDID-UHFFFAOYSA-N
-rxn:4:215942:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3ncccc3N3CCC(N(C)C)CC3)cc2)CC1,OMJJKQWVHLLOBU-RQNOJGIXSA-N
-rxn:4:215945:223834,Cc1cc(-c2cc(N3CCC(N(C)C)CC3)ccn2)cc(C)c1S(=O)(=O)N1CCN(C)CC1,UVGGNTIUZINBRV-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:4:215953:223992,Cc1ccc(-c2ccc(N3CCC(N(C)C)CC3)nc2)cc1S(=O)(=O)N1CCN(C)CC1,YTWXRIGUVANEIZ-UHFFFAOYSA-N
-rxn:4:215957:223784,CCN1CCN(CCOc2ccc(-c3cccnc3N3CCC(N(C)C)CC3)cc2F)CC1,XWDNJAWFGZOHCK-UHFFFAOYSA-N
-rxn:4:215966:223999,CC1CCN(c2cc(C3CC3)nc(-c3cc(S(=O)(=O)N4CCC(C)CC4)ccc3F)n2)CC1,JXARIWAQUSCWDY-UHFFFAOYSA-N
-rxn:4:216196:222612,N#Cc1cc(-c2cc(S(=O)(=O)N3CCC(O)CC3)ccc2F)cnc1N1CC2CCCC2C1,SNRHDXRHVWIOMH-UHFFFAOYSA-N
-rxn:4:217034:223660,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3nncn3C3CCOCC3)s2)CC1,GRPCLTZUOBSMQD-UHFFFAOYSA-N
-rxn:4:217047:223649,CC1=NN(c2ccc(-c3cccc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)cn2)C(=O)C1,PDMUYCKHCZXTGT-UHFFFAOYSA-N
-rxn:4:217086:223527,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)ccc2-c2cnc(N3CCOCC3)nc2Cl)CC1,XTINJCYMEDBHPH-UHFFFAOYSA-N
-rxn:4:217161:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3cccc(N4CCN(C)CC4)n3)c2)CC1,RYWVMPFFMKYQQV-UHFFFAOYSA-N
-rxn:4:217175:223480,Cc1cc(-c2nccc(N3CCC(C)CC3)n2)cc(C)c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,KVZLWMPDRNZPQE-UHFFFAOYSA-N
-rxn:4:217204:223699,Cc1nc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2C(F)(F)F)cc(N2CCC(C)CC2)n1,BGLBLQLTFJVMIO-UHFFFAOYSA-N
-rxn:4:217765:223499,Cc1nc(N2CCC2)c2cc(-c3ccc(Cl)c(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c3)sc2n1,FRIOVAUXUNJSMG-UHFFFAOYSA-N
-rxn:4:217765:223528,Cc1nc(N2CCC2)c2cc(-c3ccc(F)c(CN4CCN(C(=O)OC(C)(C)C)CC4)c3)sc2n1,JOZIEDXFHCZKEN-UHFFFAOYSA-N
-rxn:4:218567:223940,CN(CC1CN(C(=O)OC(C)(C)C)C1)c1cnc(-c2ccc3c(c2)OCCN3C(=O)OC(C)(C)C)cn1,WDYPWRWOOWYTLW-UHFFFAOYSA-N
-rxn:4:218578:223579,CC1CN(C(=O)OC(C)(C)C)CCN1c1ccc(-c2cnn(C3(CC#N)CCN(C(=O)OC(C)(C)C)CC3)c2)cc1,LTRVMMMNXDBCKW-UHFFFAOYSA-N
-rxn:4:218615:223671,CN(CC1CCN(C(=O)OC(C)(C)C)C1)c1cnc(-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)cn1,HJPJNYOSYWSFTJ-UHFFFAOYSA-N
-rxn:4:218652:225656,CC1CCCCN1c1cncc(-c2cnc(N(C)CC3CCN(C(=O)OC(C)(C)C)CC3)cn2)c1,ZYWQNQBDTDLKJB-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:4:218714:222538,Cc1cc(C)c(S(=O)(=O)N2CCN(C(=O)CCn3nc(C)c(-c4cc(C5CCCC5)nc(C5CCNCC5)c4)c3C)CC2)c(C)c1,ZGYHGEJHEPJIBP-UHFFFAOYSA-N
-rxn:4:218754:224162,CC(C)(C)OC(=O)N1CCC(n2c(=O)c3scc(-c4ccc5c(c4)N(C(=O)OC(C)(C)C)CC5)c3n(CC#N)c2=O)CC1,XNDKQYREURGEHM-UHFFFAOYSA-N
-rxn:4:218777:227485,Cc1nn(C(C)CC(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)c(C)c1-c1ccccc1OCC(F)F,YVGAUVUBQMIBEN-UHFFFAOYSA-N
-rxn:4:218778:223687,Cc1cc(Cn2c(N3CC4(CN(C(=O)OC(C)(C)C)C4)C3)nc3c(-c4cnc(N5CCN(C(=O)OC(C)(C)C)CC5)nc4)cc(Cl)cc32)cc(C)c1F,PQHTXEPLOSMUAW-UHFFFAOYSA-N
-rxn:4:218781:223687,CC(C)CCn1c(=O)c2sccc2n2c(SCc3ccc(-c4cnc(N5CCN(C(=O)OC(C)(C)C)CC5)nc4)cc3)nnc12,YNLDSVFZEPUYMQ-UHFFFAOYSA-N
-rxn:4:218867:226323,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3ccc(OC4CCCC4)nc3)c2)no1,PHDOEENXYSPWRE-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:4:218867:226366,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3ccnc(N4CCCCC4)c3)c2)no1,LFUFYAWWCIPQFU-UHFFFAOYSA-N
-rxn:4:218867:226382,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3cnc(C4CCCCC4)nc3)c2)no1,MTPFFHFKBYQNPU-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:4:218868:226323,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3ccc(OC4CCCC4)nc3)cc2)no1,XRXBQCNWQILMNT-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:4:218868:227103,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3sccc3C3CCCCC3)cc2)no1,UUNYJLCVHMUUSX-UHFFFAOYSA-N
-rxn:4:218881:223753,Cc1ccc(-c2cnc(OCC3CCCN(C(=O)c4ccncc4)C3)nc2)cc1OCCCN1CCN(C)CC1,NVMYLZSEXTZVQE-UHFFFAOYSA-N
-rxn:4:218897:224672,CCN1CCN(c2ccc(-c3cnc(OCC4CCCN(C(=O)c5ccncc5F)C4)nc3)c(Cl)c2)CC1,ALQGTRHPGVKICU-UHFFFAOYSA-N
-rxn:4:218899:222465,N#Cc1ccc(S(=O)(=O)N2CCC(Oc3ncc(-c4cc(C5CCCCC5)nc(C5CCCNC5)c4)cn3)CC2)cc1,DLGQLDFCGMSYAU-UHFFFAOYSA-N
-rxn:4:218915:223602,Cc1nc(CN2CCCC(COc3ncc(-c4ccnc(N5CCN(C(=O)OC(C)(C)C)CC5)c4Cl)cn3)C2)cs1,XSUMNHDKYDPLEZ-UHFFFAOYSA-N
-rxn:4:218919:224371,COC(=O)C1CCN(c2ncc(-c3cnccc3OC3CCN(C(=O)Cn4cnc(C)cc4=O)C3)cn2)CC1,OPXYZNGCELMHOR-UHFFFAOYSA-N
-rxn:4:218998:222634,O=C(N1CCOCC1)N1CCCC(COc2ncc(-c3ccc(OCCNC4CCCC4)c(F)c3)cn2)C1,XTKBXPILVJBGEJ-UHFFFAOYSA-N
-rxn:4:219028:226502,CC1CN(C(=O)c2cnn(C)c2-c2ccn(C(=O)OC(C)(C)C)c2)CCN1C(=O)OC(C)(C)C,SUBBUKHBHVIKRK-UHFFFAOYSA-N
-rxn:4:219046:226255,CCCCOc1ccc(Cl)cc1-c1cnc(OCC2CCCN(C3CCN(C4CC4)C3=O)C2)nc1,LJJFYYAURQLVPJ-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:4:219053:224056,CCC[C@H]1CC[C@H](c2ccc(-c3cncc(-c4cnn(C5CCN(C(=O)OC(C)(C)C)CC5)c4)c3)c(F)c2)CC1,PKJQYEAXWBMHFM-RQNOJGIXSA-N
-rxn:4:219062:223558,Cc1nn(C(C)C)c(C)c1S(=O)(=O)N1CCC(Oc2ncccc2-c2ccc3c(c2)CCN(C(=O)OCc2ccccc2)C3)C1,INCAMWKWZMYVGJ-UHFFFAOYSA-N
-rxn:4:219062:226141,Cc1nn(C(C)C)c(C)c1S(=O)(=O)N1CCC(Oc2ncccc2-c2ccccc2OC2CCCC2)C1,HAWXWZWVRRPZAX-UHFFFAOYSA-N
-rxn:4:219107:222637,CCC(=O)C1=C(c2ccc(-c3ccc(C(C)NC(=O)OC(C)(C)C)cc3)cc2)N(C(=O)CC)n2c(C)nnc2S1,NKGHICNUVRTTGR-UHFFFAOYSA-N
-rxn:4:219120:224672,CCN1CCN(c2ccc(-c3cncc(C(=O)N4CC5CCCC5(COc5ncc(F)cn5)C4)c3)c(Cl)c2)CC1,FBOXRUVZEBFRIO-UHFFFAOYSA-N
-rxn:4:219155:224777,Cc1cnc(OCC23CCCC2CN(C(=O)c2cncc(-c4cnc(C5CCCC5)c(C(F)(F)F)c4)c2)C3)nc1,LOGHIDXAPXPTFX-UHFFFAOYSA-N
-rxn:4:219155:225089,CCCCCOc1ccc(-c2cncc(C(=O)N3CC4CCCC4(COc4ncc(C)cn4)C3)c2)c(F)c1F,PLHUSSCFGKOLJI-UHFFFAOYSA-N
-rxn:4:219274:223872,CCN(C(=O)c1cccc(-c2cnn(CC3CN(c4cc(C(F)(F)F)ccn4)C3)c2)c1)C1CCCCC1,BKFUTOFIRYGRBE-UHFFFAOYSA-N
-rxn:4:219348:223689,CCN1CCN(S(=O)(=O)c2cc(-c3cnccc3OC3CCN(c4nccnc4OC)C3)ccc2OC)CC1,KDRJFIYBSQYCRR-UHFFFAOYSA-N
-rxn:4:219407:223935,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3cc4cccc(F)c4n3C(=O)OC(C)(C)C)cn2)CC1,XAFXFNIGBDEZGE-UHFFFAOYSA-N
-rxn:4:219410:226303,CCCC(=O)c1ccc(Cl)c(-c2cnc(OC3CCN(S(=O)(=O)N4CCOCC4)C3)nc2)c1,IBGLBEZAVUXKRC-UHFFFAOYSA-N
-rxn:4:219414:227472,CCCOc1ncc(Cl)cc1-c1cnc(N2CCOC(C(=O)N3CCCC3)C2)c(C#N)c1,XTVBEEPCVUCNOJ-UHFFFAOYSA-N
-rxn:4:219419:222718,Cc1nc(N2CCN(C(=O)c3ccc(-c4cc(S(=O)(=O)N5CCNCC5)ccc4C)o3)CC2)cc(C(F)(F)F)n1,NADWUOFTCQACFF-UHFFFAOYSA-N
-rxn:4:219439:222621,CC(C)Cc1cc(-c2cccc(CN3CCN(c4nccc(C(F)(F)F)n4)CC3)c2)cc(C2CCCNC2)n1,HWMLBSNIQPNDBX-UHFFFAOYSA-N
-rxn:4:219456:223562,CC1CN(C(=O)OC(C)(C)C)CCC1n1ncc(-c2ccc(CC3CCN(C(=O)OC(C)(C)C)CC3)cc2)n1,FXFNIUYMIGVYQR-UHFFFAOYSA-N
-rxn:4:219457:223773,COc1cccc2cc(-c3cn(C4CCN(C(=O)OC(C)(C)C)CC4C)nn3)n(C(=O)OC(C)(C)C)c12,QLDZRDCASQSDGH-UHFFFAOYSA-N
-rxn:4:219469:227777,CSc1ncc(-c2cc(F)c(F)cc2[N+](=O)[O-])c(N2CCCN(S(=O)(=O)C3CC3)CC2)n1,ZVHGIERZMAMMDU-UHFFFAOYSA-N
-rxn:4:219495:224321,CC1CCN(S(=O)(=O)c2cccc(-c3cnccc3OC3CCN(c4cc(C5CCC5)ncn4)C3)c2)CC1,RPGCFAVHFIWQER-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:4:219501:226249,CCCCOc1cc(Cl)cc(-c2cnc(SC)nc2N2CCOC(C(=O)N3CCOCC3)C2)c1,INMIVSHRFPHYMC-UHFFFAOYSA-N
-rxn:4:219535:224991,Cn1cc(S(=O)(=O)N2CCCN(C(=O)c3ccccc3-c3cc(C4CC4)nc(N4CCCC4)c3)CC2)cn1,JLNQYXHMJUUVPR-UHFFFAOYSA-N
-rxn:4:219553:225518,CCCCCOc1ncc(C)cc1-c1ccc(Cl)c(C(=O)N2CCC(c3nn(C)c(=O)n3C3CC3)CC2)c1,ZXFJXDSJZHSAMN-UHFFFAOYSA-N
-rxn:4:219565:222920,Cc1cc(C)c(C#N)c(N2CCCN(S(=O)(=O)c3ccc(-c4ccc(S(=O)(=O)NC5CC5)cc4C)cc3)CC2)n1,UATFSIDLLCGWFY-UHFFFAOYSA-N
-rxn:4:219565:223167,Cc1cc(C)c(C#N)c(N2CCCN(S(=O)(=O)c3ccc(-c4ccnc(N5CCNCC5)c4)cc3)CC2)n1,IONMVOAIVCIMKV-UHFFFAOYSA-N
-rxn:4:219639:225232,CC1CCN(c2cc(-c3ccc4nc(C5CCN(C(=O)OC(C)(C)C)C5)nn4c3)cnc2Cl)CC1,FLVUHDBDPQIVPX-UHFFFAOYSA-N
-rxn:4:219654:225984,CC(C)(C)OC(=O)N1CCN(c2ncnc3sc(-c4cnc(Cl)c(N5CCOCC5)c4)cc23)CC1,QNHAXHHRMHJBFV-UHFFFAOYSA-N
-rxn:4:219689:224280,CC(C)(C)OC(=O)N1CCN(c2ccc3ncc(-c4cc5c(s4)CCN(C(=O)OC(C)(C)C)C5)n3c2)CC1,XUOGNVAKTNFTBA-UHFFFAOYSA-N
-rxn:4:219692:223649,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cccc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)c3cnc(Cl)nc32)CC1,PDLSAULLGLMCST-UHFFFAOYSA-N
-rxn:4:219706:225233,CC1CCCN(c2cc(-c3cc4ncnc(N5CCN(C(=O)OC(C)(C)C)CC5)c4cc3Cl)cnc2Cl)C1,BSXTZKHIMIWJTI-UHFFFAOYSA-N
-rxn:4:219742:222444,COc1ccc(F)cc1C(=O)NCc1ccc(-c2cncc(C(=O)N3CCC(Cn4nc5c(cc4=O)CCC5)CC3)c2)cc1,QJAIMYDMHIXNKZ-UHFFFAOYSA-N
-rxn:4:219742:225110,CC(C)(C)OC(=O)Oc1ccc(-c2cncc(C(=O)N3CCC(Cn4nc5c(cc4=O)CCC5)CC3)c2)cc1,QNVVRZAWNKYYEG-UHFFFAOYSA-N
-rxn:4:219766:225731,CCOC(=O)c1ccc(-c2cncc(C(=O)N3CCC(Cn4nc5c(cc4=O)CCCC5)CC3)c2)c(OC)c1,WISCRICPYNCTJV-UHFFFAOYSA-N
-rxn:4:219842:223527,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)ccc2-c2ccccc2CN2CC(n3nccn3)C2)CC1,ZEACMDQZIQSJFT-UHFFFAOYSA-N
-rxn:4:219853:224751,CC(=O)N1CCN(c2ncc(-c3ccc(F)c(C(=O)N4CCOCC4)c3)cc2C#N)CC1,RPVUHGLTZNLMRH-UHFFFAOYSA-N
-rxn:4:219853:224758,CC(=O)N1CCN(c2ncc(-c3ccc(C(=O)N4CCOCC4)c(Cl)c3)cc2C#N)CC1,IYWAFKNQPAGGDG-UHFFFAOYSA-N
-rxn:4:219876:223812,CCN1CCN(C(=O)c2cnn(C)c2-c2cc(F)cc(CN3CCC4(CC3)OCCO4)c2)CC1,TXHBMDFZWLTGRH-UHFFFAOYSA-N
-rxn:4:219880:222778,CSc1ncc(-c2cncc(CNC(=O)OC(C)(C)C)c2)c(N2CCN(S(C)(=O)=O)CC2)n1,RYSQPCCAUQWVKD-UHFFFAOYSA-N
-rxn:4:219880:223540,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1cnc(SC)nc1N1CCN(S(C)(=O)=O)CC1,OWANLOYZJNTMTA-UHFFFAOYSA-N
-rxn:4:219908:223696,CN1CCCN(c2oc(-c3ccc(-c4ccc(S(=O)(=O)N5CCC6(CC5)OCCO6)cc4)o3)nc2C#N)CC1,WTIJKUGHTHZFHC-UHFFFAOYSA-N
-rxn:4:219910:223687,Cn1ccnc(N2CCC(Oc3ccncc3-c3cnc(N4CCN(C(=O)OC(C)(C)C)CC4)nc3)C2)c1=O,FNEITYRVTQFOAP-UHFFFAOYSA-N
-rxn:4:219988:223945,O=C(C1CCCN(c2ncc(-c3ccc(OCCCN4CCOCC4)c(F)c3)cn2)C1)N1CCOCC1,DPUXJCSTMQZMSC-UHFFFAOYSA-N
-rxn:4:220136:222928,Cc1nc(N2CCC(O)CC2)ncc1-c1ccc2ncnc(N3CCN(S(=O)(=O)C4CC4)CC3)c2c1,PYINFJDRDRLRGK-UHFFFAOYSA-N
-rxn:4:220136:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc4ncnc(N5CCN(S(=O)(=O)C6CC6)CC5)c4c3)cc2)CC1,XNCGXELPXSSZLL-UHFFFAOYSA-N
-rxn:4:220137:224771,Cc1ccc(-c2ccc3nc(N4CCN(S(=O)(=O)C5CC5)CC4)ncc3c2)cc1S(=O)(=O)N1CCCC1,UATIDWTUEJOELT-UHFFFAOYSA-N
-rxn:4:220209:222729,CCCc1cc(-c2ccccc2S(=O)(=O)N2CCCc3cnc(N4CCOCC4)nc32)cc(C2CCCNC2)n1,ALOSIECNHIFDIV-UHFFFAOYSA-N
-rxn:4:220221:225875,CN1CCN(C(=O)c2cc3n(n2)CC(c2ccc(-c4ccc(N5CCOCC5)cc4Cl)cc2)OC3)CC1,ZVFZIFIDQAWOIA-UHFFFAOYSA-N
-rxn:4:220366:223480,Cc1ccn(-c2cc(C3CC3)nc(-c3cc(C)c(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c(C)c3)n2)n1,AJQGTBVCWCLXRO-UHFFFAOYSA-N
-rxn:4:220397:223529,CCN1CCN(c2ncc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)c(F)c3)cn2)CC1,IWTJQJRBJGMDLX-UHFFFAOYSA-N
-rxn:4:220397:223532,CCN1CCN(c2ncc(-c3cc(F)cc(CN4CCN(C(=O)OC(C)(C)C)CC4)c3)cn2)CC1,YZXGYBGSOCUNLF-UHFFFAOYSA-N
-rxn:4:220414:222788,Cc1c(-c2ccc(NC(=O)OC(C)(C)C)cc2F)cnc(N2CCN(C)CC2)c1[N+](=O)[O-],FMECOMKEXWOGJW-UHFFFAOYSA-N
-rxn:4:220534:223712,COc1ccc(-c2ccc(C3=Nn4c(nnc4C4CCCCC4)SC3)cc2)cc1C12CC3CC(CC(C3)C1)C2,OLYQEEVRAPEVOB-UHFFFAOYSA-N
-rxn:4:220537:223689,CCN1CCN(S(=O)(=O)c2cc(-c3ccc4nc(N5CCN(C6CCC6)CC5)ncc4c3)ccc2OC)CC1,HOICATPVLMPNOM-UHFFFAOYSA-N
-rxn:4:221090:224672,CCOC(=O)c1cnc(N2CCCC2)nc1Cn1cc(-c2ccc(N3CCN(CC)CC3)cc2Cl)cn1,WQAURWRBCHRFJE-UHFFFAOYSA-N
-rxn:4:221106:223790,COc1nccnc1N(C)CC1CCN(C(=O)c2cncc(-c3cncc(C4CCCN4C(=O)OC(C)(C)C)c3)c2)CC1,JASOGANSDBWIIR-UHFFFAOYSA-N
-rxn:4:221114:223844,CCOc1ccc(-c2ccc(S(=O)(=O)N3CCCC3)cc2C(F)(F)F)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N3CCCC3)n2)CC1,XFCNQJOVRVWNLL-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:4:221172:224196,CCN1CCN(Cc2cc(F)cc(-c3cnc(OCC4CCN(C(=O)c5ccc(=O)n(C)n5)CC4)nc3)c2)CC1,QUUDWTWCBKTUPK-UHFFFAOYSA-N
-rxn:4:221172:225172,Cn1nc(C(=O)N2CCC(COc3ncc(-c4cc(CN5CCOCC5)ccc4F)cn3)CC2)ccc1=O,SFCQCEDIQIJTIQ-UHFFFAOYSA-N
-rxn:4:221205:223142,c1cc(N2CCN(CCc3ccc(-c4ccc(C5CCCNC5)nc4)cc3)CC2)nc(N2CCOCC2)n1,RLILWSPAXDIZRL-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:4:221232:224759,N#Cc1cc2c(nc1N1CCCC(COc3ncc(-c4cc(F)cc(C(=O)N5CCOCC5)c4)cn3)C1)CCOC2,UYUDFKWGVKWICE-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:4:221249:223939,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc4c(-c5ccc6c(c5)N(C(=O)OC(C)(C)C)CCO6)cnn4c3)cc2)CC1,UYDZXJLCNFTMAX-UHFFFAOYSA-N
-rxn:4:221249:224157,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc4c(-c5cn(C(=O)OC(C)(C)C)c6ccccc56)cnn4c3)cc2)CC1,SMQOTYIJTBLONZ-UHFFFAOYSA-N
-rxn:4:221249:225172,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc4c(-c5cc(CN6CCOCC6)ccc5F)cnn4c3)cc2)CC1,FUGLGMOOEDKXST-UHFFFAOYSA-N
-rxn:4:221249:225875,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc4c(-c5ccc(N6CCOCC6)cc5Cl)cnn4c3)cc2)CC1,DKPXAFNQZIRZCC-UHFFFAOYSA-N
-rxn:4:221259:223812,CCCCCn1c(=O)c2c(nc3n2CCN3c2ccc(-c3cc(F)cc(CN4CCC5(CC4)OCCO5)c3)cc2)n(C)c1=O,FPKAIXPDOMPNGC-UHFFFAOYSA-N
-rxn:4:221270:225975,CCOCCn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3ccnc(N4CCOCC4)c3Cl)cc2)n(C)c1=O,NBWGKVBJCSLVNI-UHFFFAOYSA-N
-rxn:4:221342:223689,CCN1CCN(S(=O)(=O)c2cc(-c3cnc(N4CCC(COc5cnccn5)CC4)nc3)ccc2OC)CC1,IOVKXKPVJBXJAQ-UHFFFAOYSA-N
-rxn:4:221345:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3cnc(OCC4CCN(c5ncc(Cl)cn5)CC4)nc3)c2)CC1,TZMNAUSOAJAVRU-UHFFFAOYSA-N
-rxn:4:221347:223595,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(OCC4CCN(c5ncc(F)cn5)CC4)nc3)cc2F)CC1,SEDAYIJSSZBSKA-UHFFFAOYSA-N
-rxn:4:221365:223689,CCN1CCN(S(=O)(=O)c2cc(-c3cnc(OCC4CCCN(c5nccnc5C)C4)nc3)ccc2OC)CC1,MHAJBXYVBHDYFH-UHFFFAOYSA-N
-rxn:4:221388:224326,Cc1cc(N2CCCC(COc3ncc(-c4ccc(S(=O)(=O)N5CCCCC5)c(C)c4)cn3)C2)nc(C)n1,ARFFFDBAVWBCRC-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:4:221419:222833,CC(C)CCC(=O)Nc1cccc(-c2cnc(N3CCC(Cn4nc(C(C)(C)C)ccc4=O)CC3)nc2)c1,KKMSIVPDJOROOI-UHFFFAOYSA-N
-rxn:4:221432:222956,Cc1ccc(-c2cccc(C(=O)N3CCN(c4nc(C)cc(N5CCCC5)n4)CC3)c2)c(C2CCCNC2)c1,KNDRYEFVGIQBFA-UHFFFAOYSA-N
-rxn:4:221441:225048,Cc1cc(N2CCOCC2)nc(N2CCN(Cc3cccc(-c4ccc(N5CCN(C)CC5)cc4C)c3)CC2)n1,HHUAZHHAEGALJU-UHFFFAOYSA-N
-rxn:4:221444:223033,CCCNC(=O)c1ccc(-c2ccccc2CN2CCN(c3nc(C)cc(N4CCOCC4)n3)CC2)c(Cl)c1,DEKYGPUFQYQBMA-UHFFFAOYSA-N
-rxn:4:221447:224374,COc1ccc(S(=O)(=O)N2CCCC2)cc1-c1ccc(CN2CCN(c3cc(C)nc(N4CCOCC4)n3)CC2)cc1,BBJFGXBIJOOOJB-UHFFFAOYSA-N
-rxn:4:221451:226242,CCCCOc1ccc(F)c(-c2ccccc2C(=O)N2CCN(c3nc(C)cc(N4CCCCC4)n3)CC2)c1,BXSGBQSSZVJEGJ-UHFFFAOYSA-N
-rxn:4:221522:223532,COc1ccc2c(=O)n(CC3CCN(c4ncc(-c5cc(F)cc(CN6CCN(C(=O)OC(C)(C)C)CC6)c5)cn4)CC3)cnc2c1,KLPLFXCNMHKFQS-UHFFFAOYSA-N
-rxn:4:221608:223591,CC(C)(C)OC(=O)N1CCN(c2ccc(F)c(-c3cncc(C(=O)N4CCC(n5ccnn5)CC4)c3)c2)CC1,VLVRZNKHHUFUBH-UHFFFAOYSA-N
-rxn:4:221935:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3cnc(OCC4CCCN(c5nccnc5C#N)C4)nc3)c2)CC1,JOMVOMVRLULLCW-UHFFFAOYSA-N
-rxn:4:221935:224011,CN1CCN(S(=O)(=O)c2ccc(-c3cnc(OCC4CCCN(c5nccnc5C#N)C4)nc3)cc2F)CC1,ISMAOGDOBKLSFG-UHFFFAOYSA-N
-rxn:4:221951:223581,COC(=O)c1cccc2cc(-c3cnc(N4CCC(CN(C)c5nccnc5OC)CC4)nc3)n(C(=O)OC(C)(C)C)c12,NZHZRDXRHFDDTI-UHFFFAOYSA-N
-rxn:4:221980:223588,Cc1cc(-c2cncc(-c3nn4c(=O)cc(N5CCN(C(=O)OC(C)(C)C)CC5)nc4s3)c2)cnc1N1CCN(C(=O)OC(C)(C)C)CC1,FGETVGRCCJOOSE-UHFFFAOYSA-N
-rxn:4:222046:223489,CCc1c(C)nc(C2CC2)nc1N1CCN(c2ncc(-c3ccc(S(=O)(=O)N4CCC(O[Si](C)(C)C(C)(C)C)CC4)cc3)cn2)CC1,FKSHTLRNYSFJJA-UHFFFAOYSA-N
-rxn:4:222054:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(C(=O)N2CCN(c3ccc(N4CCN(C)CC4)nn3)CC2)o1,PPWNXYWYWLZKQS-UHFFFAOYSA-N
-rxn:4:222056:225295,CC(C)(C)c1cc(N2CCN(c3ncc(-c4ccccc4S(=O)(=O)N4CCCC4)cn3)CC2)nc(C2CC2)n1,HDRQJOOCKSHARR-UHFFFAOYSA-N
-rxn:4:222168:223992,Cc1ccc(-c2cnc(N3CCN(c4cc(C5CCOCC5)ncn4)CC3)nc2)cc1S(=O)(=O)N1CCN(C)CC1,GEGHZUDURFAMPU-UHFFFAOYSA-N
-rxn:4:222169:223844,Cc1nc(N2CCN(c3ncc(-c4ccc(S(=O)(=O)N5CCCC5)cc4C(F)(F)F)cn3)CC2)cc(C(C)(C)C)n1,BBSBZXKBFYZYOK-UHFFFAOYSA-N
-rxn:4:222334:225165,COc1cc(-c2cnc(N3CCN(c4nc(C)cc(N5CCCC5)n4)CC3)nc2)ccc1N1CCOCC1,XXBUZVSNWMFEHZ-UHFFFAOYSA-N
-rxn:4:222335:222522,COc1ccc(-c2cnc(N3CCN(c4cc(C)nc(N5CCCC5)n4)CC3)nc2)cc1S(=O)(=O)N1CCC(O)CC1,MCMJRBFCEFXCKZ-UHFFFAOYSA-N
-rxn:4:222335:224128,Cc1cc(N2CCN(c3ncc(-c4ccc(C(=O)N(C)C5CCCCC5)cc4)cn3)CC2)nc(N2CCCC2)n1,BDBRYJHPFKBJLS-UHFFFAOYSA-N
-rxn:4:222520:215722,Cc1nn(S(=O)(=O)N(C)C)c(C)c1-c1ccc(C(F)(F)F)c(NC(=O)OC(C)(C)C)c1,VYFSPFSTKOFEGR-UHFFFAOYSA-N
-rxn:4:222521:174427,CCS(=O)(=O)Cc1ccc(C(=O)c2ccc(F)cc2Cl)c(-c2cc(NC(=O)OC(C)(C)C)cc(C(F)(F)F)c2)c1,GNTQVOZNBCXJPV-UHFFFAOYSA-N
-rxn:4:222523:179482,Cc1ccc(S(=O)(=O)C(F)(F)F)cc1-c1ccc(S(=O)(=O)NC(C)(C)C)cc1C(F)(F)F,GLOUPPIQQQFPSC-UHFFFAOYSA-N
-rxn:4:222523:185141,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc(N(C(=O)OC(C)(C)C)c3ccccc3)cc2)c(C(F)(F)F)c1,AEDGJOSXDNNWTP-UHFFFAOYSA-N
-rxn:4:222540:214017,Cc1ccc(=O)n(CC2CCN(C(=O)c3ccc(-c4cccc(C(=O)NCCN5CCCCC5)c4)cc3)CC2)n1,UGKPGMLMDNTFEO-UHFFFAOYSA-N
-rxn:4:222543:187048,CCN(C(=O)c1cc(-c2ccc(C3(NC(=O)OC(C)(C)C)CC3)cc2)ccc1C)C(C)C,FONZQCHROBCNMT-UHFFFAOYSA-N
-rxn:4:222601:184965,CN(C(=O)OC(C)(C)C)c1cc(-c2cccc3sc(NC(=O)OC(C)(C)C)nc23)ccc1C(F)(F)F,AWASQNHNVYEPBL-UHFFFAOYSA-N
-rxn:4:222603:187969,COc1cc(-c2cccc3c2ccn3[Si](C(C)C)(C(C)C)C(C)C)c(Cl)cc1NC(=O)OC(C)(C)C,OZPZAVPAHVSFIL-UHFFFAOYSA-N
-rxn:4:222713:174515,COc1ccc(S(=O)(=O)NC(C)(C)C)c(-c2ccc(O[Si](C(C)C)(C(C)C)C(C)C)cc2)c1,OCAIUSDQVRTPMS-UHFFFAOYSA-N
-rxn:4:222801:186751,Cc1ccc(-c2ccc(N(C(=O)C(F)(F)F)C3C=CS(=O)(=O)C3)cc2)cc1S(=O)(=O)NC(C)(C)C,NDEUXAZBUBFVHL-UHFFFAOYSA-N
-rxn:4:222821:174689,CC(C)(C)NS(=O)(=O)c1cc(-c2cc(OC(F)(F)F)ccc2C(=O)C(F)(F)F)ccc1F,ZMLBJLMNVRXYGY-UHFFFAOYSA-N
-rxn:4:222941:174656,CONS(=O)(=O)c1c(C)cc(-c2cccc3cccc(C#C[Si](C(C)C)(C(C)C)C(C)C)c23)cc1C,FUZUWTKEMTXVIO-UHFFFAOYSA-N
-rxn:4:222951:184185,CC(=O)Nc1cc(C(F)(F)F)c(-c2cc(N(C(C)=O)S(=O)(=O)c3ccc(C)cc3)c3ccccc3c2OC(C)=O)cn1,FYXALOWLPSRRRS-UHFFFAOYSA-N
-rxn:4:223060:187230,COC(=O)C1CCN(S(=O)(=O)c2ccccc2-c2cc(Cl)nc(C3CCNCC3)c2)CC1,TVUVMFLWIHJREV-UHFFFAOYSA-N
-rxn:4:223062:207959,Cc1ccc(C2=NN3C(C2)c2cc(-c4cnc(C5CCNCC5)cc4F)ccc2OC3C2CCCCC2)cc1,XGNBEJUXNFEVME-UHFFFAOYSA-N
-rxn:4:223093:185057,CC(C)N(C(=O)c1ccc(C(F)(F)F)cc1-c1cncc(NS(=O)(=O)C(C)C)c1)C(C)C,UDSLBFCGBAQMDQ-UHFFFAOYSA-N
-rxn:4:223520:174009,COC(=O)C(C(C)=O)C(=O)c1ccc(-c2ccc(C(C)N3CCN(C(=O)OC(C)(C)C)CC3)cc2)cc1,RBSPSQUSFGXZJC-UHFFFAOYSA-N
-rxn:4:223570:173916,COC(=O)CC(=O)c1ccc(OC)c(-c2c(F)ncc3c2ccn3[Si](C(C)C)(C(C)C)C(C)C)c1,AKBJUHAPLDNHSN-UHFFFAOYSA-N
-rxn:4:223570:174497,COc1ccc(-c2cc(C(=O)OC(C)(C)C)cc(-c3c(F)ncc4c3ccn4[Si](C(C)C)(C(C)C)C(C)C)c2)cc1,SLEVSBLOJVZWNL-UHFFFAOYSA-N
-rxn:4:223570:186867,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc(N(C)C(=O)OC(C)(C)C)c(F)c3)c(F)ncc21,ZPFCZZXNDBCCGI-UHFFFAOYSA-N
-rxn:4:223580:174498,COC(=O)c1ccc2c(c1)cc(-c1cc(C(=O)OC(C)(C)C)cc(-c3cccc(OC)c3F)c1)n2C(=O)OC(C)(C)C,RRSXHYRHSMMXDK-UHFFFAOYSA-N
-rxn:4:223580:189177,COC(=O)c1ccc2c(c1)cc(-c1cc(C(=O)N(C)C)c(F)cc1C(F)(F)F)n2C(=O)OC(C)(C)C,MDKQLQCYHPJEDN-UHFFFAOYSA-N
-rxn:4:223641:174480,CCc1cc2c(cc1F)cc(-c1cc(C(=O)OC(C)(C)C)cc(-c3ccccc3C(F)(F)F)c1)n2C(=O)OC(C)(C)C,YZDNMSKDKHKDIK-UHFFFAOYSA-N
-rxn:4:223641:184943,CCc1cc2c(cc1F)cc(-c1ccc(C3(C(=O)N(CC)CC)CC3)cc1)n2C(=O)OC(C)(C)C,LSXCUUHMUVPXOR-UHFFFAOYSA-N
-rxn:4:223641:193929,CCc1cc2c(cc1F)cc(-c1ccc(C(C)(C)C3=NC(C)(C)CO3)cc1)n2C(=O)OC(C)(C)C,RZSRYPGARHLJFI-UHFFFAOYSA-N
-rxn:4:223641:194696,CCc1cc2c(cc1F)cc(-c1ccc3c(c1)CCCC3=NS(=O)C(C)(C)C)n2C(=O)OC(C)(C)C,CLIYTZMDXPNEFU-UHFFFAOYSA-N
-rxn:4:223671:209422,CC1=CC(=O)N(c2ccc(-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)cn2)C1=O,RWQACVDSRUCOHD-UHFFFAOYSA-N
-rxn:4:223671:209691,CN1CCN(c2ccc(-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)cc2)C1=O,WILAUXJZRJLBNV-UHFFFAOYSA-N
-rxn:4:223671:209696,CN1CCN(c2cccc(-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)c2)C1=O,FKGZLZOSJLLJQN-UHFFFAOYSA-N
-rxn:5:176860:225976:225849,COC(=O)c1c(-c2ccnc(N3CCOCC3)c2F)ccc(OC)c1-c1cnc(N2CCCCC2)cc1F,ROOGCLUAZYTVDS-UHFFFAOYSA-N
-rxn:5:177731:226794:225834,CC(C)(C)OC(=O)c1ccc(-c2cc(N3CCCCC3)ncc2F)cc1-c1cnc(N2CCSCC2)nc1,HMHTWXKDPRFJJS-UHFFFAOYSA-N
-rxn:5:177733:223294:225982,CC(C)(C)OC(=O)c1cc(-c2csc(N3CCNCC3)n2)cc(-c2cnc(N3CCOCC3)cc2F)c1,GEJYQRDPIYMFSE-UHFFFAOYSA-N
-rxn:5:177733:225978:223056,CC(C)(C)OC(=O)c1cc(-c2ccc(N3CCC(O)CC3)nc2)cc(-c2ccc(N3CCOCC3)nc2F)c1,MVZZACGJLKLZQK-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:5:177737:226679:223056,CC(C)(C)OC(=O)c1cc(-c2ccc(N3CCC(O)CC3)nc2)ccc1-c1cnc(N2CCCC2)cc1F,BLOCZWZPNRNZQC-UHFFFAOYSA-N
-rxn:5:177737:226794:223061,CC(C)(C)OC(=O)c1cc(-c2cc(C3CCNCC3)ncc2F)ccc1-c1cnc(N2CCSCC2)nc1,VHVGSHIKEFWINO-UHFFFAOYSA-N
-rxn:5:177738:225661:225435,COc1cc(-c2ccccc2CN2CCCCC2)c(-c2ccc(N3CCOCC3)cc2C)cc1OC1CCC1,ABOJNFNREKTKJI-UHFFFAOYSA-N
-rxn:5:177739:226794:225976,CC(C)(C)OC(=O)c1cccc(-c2cnc(N3CCSCC3)nc2)c1-c1ccnc(N2CCOCC2)c1F,WGYWBAHELCFUPW-UHFFFAOYSA-N
-rxn:5:178117:225683:227710,Cc1nc(C2CCCOC2)ccc1-c1ccc(-c2ccc(OS(C)(=O)=O)cc2)c(OCC2CCOCC2)c1,CAFKLGVNBYJWOB-UHFFFAOYSA-N
-rxn:5:178118:226179:226045,FC(F)(F)C(F)(F)c1ccc(-c2ccc(-c3cncc(C4CCCCC4)c3)c(OCC3CCCCO3)c2)cn1,ZHPXITGLSXPQLO-UHFFFAOYSA-N
-rxn:5:178119:225936:226177,Cc1cc(C(=O)OC(C)(C)C)cc(-c2cc(C(F)(F)F)cnc2C(C)C)c1-c1ccnc(C2CCCCC2)c1,SENSVCQKGLGNMV-UHFFFAOYSA-N
-rxn:5:178295:225886:227788,COC(=O)C1(c2cc(-c3cc(C(F)(F)F)cnc3F)ccc2-c2ccc3c(ccn3S(C)(=O)=O)c2)CCC(=O)CC1,HNDZPHMSKLSTDP-UHFFFAOYSA-N
-rxn:5:178295:226710:227818,CCC(C)c1cccc(-c2ccc(-c3ccc(F)c([Si](C)(C)C)c3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,XQLKBVXBJKYCNW-UHFFFAOYSA-N
-rxn:5:178295:226769:227915,CCOc1ccc(-c2ccc(-c3cc(C(=O)OC)cc(F)c3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc1C,RFMLPLRQIQHJJP-UHFFFAOYSA-N
-rxn:5:178295:227124:228564,CCC(C)c1ccc(-c2ccc(-c3ccc(C(C)(C)C)cc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)s1,YZEUGVJKPSBNJZ-UHFFFAOYSA-N
-rxn:5:178295:227312:228443,CCC(C)c1ccc(-c2ccc(-c3ccc(F)c(SC)c3F)cc2C2(C(=O)OC)CCC(=O)CC2)c(F)n1,ZETBCQIZVFZSLJ-UHFFFAOYSA-N
-rxn:5:178295:227534:228275,CCOc1cc(F)c(-c2ccc(-c3cc(C)cc(F)c3OC)cc2C2(C(=O)OC)CCC(=O)CC2)c(F)c1,HIJOKXDHCSGPHH-UHFFFAOYSA-N
-rxn:5:178295:227568:227940,CCc1cc(SC)cc(-c2ccc(-c3c(F)cc(OC)cc3OC)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,UOFGQMXDUWWVMF-UHFFFAOYSA-N
-rxn:5:178295:228430:227070,CCOc1cc(C)c(C)cc1-c1ccc(-c2c(F)cc(SC)cc2F)c(C2(C(=O)OC)CCC(=O)CC2)c1,KNCIYBYJKMZQPO-UHFFFAOYSA-N
-rxn:5:178295:228564:226710,CCC(C)c1ccc(-c2ccc(-c3ccc(F)c([Si](C)(C)C)c3F)cc2C2(C(=O)OC)CCC(=O)CC2)s1,KOKTXECVWLMJJP-UHFFFAOYSA-N
-rxn:5:178295:229100:222404,COC(=O)C1(c2cc(-c3ccc(C4NC(=O)NC4=O)cc3)ccc2-c2ccnc(C)c2F)CCC(=O)CC1,MWEZWNBRPJTDDE-UHFFFAOYSA-N
-rxn:5:178313:225453:227100,Cc1cc(C2CC2)cc(F)c1-c1cc(O[Si](C)(C)C(C)(C)C)ccc1-c1cccc(SC2CCCCC2)c1,AXIDZLRSETYASR-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:5:178466:223006:223062,CC(C)OC(=O)c1sc2cc(-c3ccc(F)c(C4CCNCC4)c3)ccc2c1-c1cnc(C2CCNCC2)cc1F,TZDBHPBYNAXCHS-UHFFFAOYSA-N
-rxn:5:178466:223065:223061,CC(C)OC(=O)c1sc2cc(-c3ccc(N4CCNCC4)cc3F)ccc2c1-c1cc(C2CCNCC2)ncc1F,YZLSKPWYAHFYRZ-UHFFFAOYSA-N
-rxn:5:178466:225980:223006,CC(C)OC(=O)c1sc2cc(-c3cc(N4CCOCC4)ncc3F)ccc2c1-c1ccc(F)c(C2CCNCC2)c1,MHFNHLICCCEUAY-UHFFFAOYSA-N
-rxn:5:178467:223011:225833,CCOC(=O)C1=Cc2cc(-c3ccnc(N4CCCCC4)c3F)cc(-c3cc4[nH]ncc4cc3OC(C)C)c2OC1,RFBOUGKOZXKEHX-UHFFFAOYSA-N
-rxn:5:178467:223061:227093,CCOC(=O)C1=Cc2cc(-c3cccnc3C3CCCC3)cc(-c3cc(C4CCNCC4)ncc3F)c2OC1,UUZQKBSGJLMVFV-UHFFFAOYSA-N
-rxn:5:178467:223062:225784,CCOC(=O)C1=Cc2cc(-c3ccc(CN4CCOCC4)nc3)cc(-c3cnc(C4CCNCC4)cc3F)c2OC1,LQTLNPOUPNWLOO-UHFFFAOYSA-N
-rxn:5:178467:223378:223061,CCOC(=O)C1=Cc2cc(-c3cc(C4CCNCC4)ncc3F)cc(-c3cnc4c(c3)NCCO4)c2OC1,JYGCNULWTYTCKS-UHFFFAOYSA-N
-rxn:5:178467:225834:226395,CCOC(=O)C1=Cc2cc(-c3cncc(N4CCCCC4)c3)cc(-c3cc(N4CCCCC4)ncc3F)c2OC1,AKIMKOCFRPWQBO-UHFFFAOYSA-N
-rxn:5:178467:226395:223061,CCOC(=O)C1=Cc2cc(-c3cc(C4CCNCC4)ncc3F)cc(-c3cncc(N4CCCCC4)c3)c2OC1,DSLGVUOYIIEXHJ-UHFFFAOYSA-N
-rxn:5:178467:226395:225849,CCOC(=O)C1=Cc2cc(-c3cnc(N4CCCCC4)cc3F)cc(-c3cncc(N4CCCCC4)c3)c2OC1,DZPUJLGQNSPAIL-UHFFFAOYSA-N
-rxn:5:178467:226679:226366,CCOC(=O)C1=Cc2cc(-c3ccnc(N4CCCCC4)c3)cc(-c3cnc(N4CCCC4)cc3F)c2OC1,JUKXPQGKDLBZAA-UHFFFAOYSA-N
-rxn:5:178467:227301:222981,CCOC(=O)C1=Cc2cc(-c3ccnc(NC4CCCCC4)c3)cc(-c3ccc(F)cc3CN(C)C)c2OC1,ATYZIMQEAUKZAB-UHFFFAOYSA-N
-rxn:5:180267:225811:225987,CSc1cc(C(C)(C)C)cc(-c2ccc(C3(C(F)(F)F)CC3)cc2)c1-c1ccc(N2CCCS2(=O)=O)cc1,SEUTWWZUNSWYIL-UHFFFAOYSA-N
-rxn:5:180422:226177:226686,Cc1cnn(C2CCCCO2)c1-c1cc(CC2CCCCC2)ccc1-c1ccnc(C2CCCCC2)c1,MWGLVMZYVFYNNE-UHFFFAOYSA-N
-rxn:5:180602:225849:226679,COC(=O)C1Cc2cc(-c3cnc(N4CCCC4)cc3F)cc(-c3cnc(N4CCCCC4)cc3F)c2O1,BSBYSKWMHOWALN-UHFFFAOYSA-N
-rxn:5:180662:222981:226148,COC(=O)C1=Cc2cc(-c3cccc(C#C[Si](C)(C)C)c3)cc(-c3ccnc(NC4CCCCC4)c3)c2OC1,STXCKHBXLDDAHP-UHFFFAOYSA-N
-rxn:5:180662:223006:227507,COC(=O)C1=Cc2cc(-c3cccc(C=C[N+](=O)[O-])c3)cc(-c3ccc(F)c(C4CCNCC4)c3)c2OC1,MHANAXSZEMMALP-UHFFFAOYSA-N
-rxn:5:180662:223065:223061,COC(=O)C1=Cc2cc(-c3cc(C4CCNCC4)ncc3F)cc(-c3ccc(N4CCNCC4)cc3F)c2OC1,YHPWABVIEPTPBG-UHFFFAOYSA-N
-rxn:5:180662:225803:227710,COC(=O)C1=Cc2cc(-c3ccc(OS(C)(=O)=O)cc3)cc(-c3ccnc(OC4CCOCC4)c3)c2OC1,BARWXWBJSDNHJH-UHFFFAOYSA-N
-rxn:5:180662:226148:222981,COC(=O)C1=Cc2cc(-c3ccnc(NC4CCCCC4)c3)cc(-c3cccc(C#C[Si](C)(C)C)c3)c2OC1,LCQFOPQPSLDBNW-UHFFFAOYSA-N
-rxn:5:181906:226427:226686,Cc1ccc(-c2cc(N3CCC(C)CC3)cs2)c(C2OCCO2)c1-c1c(C)cnn1C1CCCCO1,RJIOKPFJIIYBSY-UHFFFAOYSA-N
-rxn:5:181907:223138:225832,Cc1cc(-c2ccnc(C3CCNCC3)c2)c(-c2c(C)nn(C3CCCCO3)c2C)c(C2OCCO2)c1,HUHGHLNSTLPFSO-UHFFFAOYSA-N
-rxn:5:181907:225514:225684,Cc1cc(-c2cccc3c2OCC2(CC2)CO3)c(-c2ccc(C3CCOCC3)nc2C)c(C2OCCO2)c1,OLYDHRPMTOHPME-UHFFFAOYSA-N
-rxn:5:181908:226571:225407,Cc1cc(-c2cnn(CC3CCOCC3)c2)c(-c2ccc(C3CCCCCC3)cc2)cc1C1OCCO1,GBXAXJJTWUFDSM-UHFFFAOYSA-N
-rxn:5:182011:225832:223147,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(C2CCOCC2)cc1-c1ccc(C2CNCCO2)cc1,HUOWNXXAJPKZNO-UHFFFAOYSA-N
-rxn:5:182012:225832:226064,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2ccc(C3CCCCC3)cc2)c(C2CCCOC2)c1,FMLFVQMBSOJBSC-UHFFFAOYSA-N
-rxn:5:182012:226686:222987,Cc1cnn(C2CCCCO2)c1-c1ccc(-c2ccc(C3CCNCC3)nc2C)c(C2CCCOC2)c1,GRCAHMCNBXXEOU-UHFFFAOYSA-N
-rxn:5:182012:227103:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2sccc2C2CCCCC2)cc1C1CCCOC1,MFVCMCROFCQWEO-UHFFFAOYSA-N
-rxn:5:183229:225931:226031,Cc1cc(-c2cc(-c3ccc(C(F)(F)F)cc3C(F)F)c3c(c2)C(C)(C)CCS3)cc(S(=O)(=O)N(C)C)c1,KWXOSYYJWQMLHC-UHFFFAOYSA-N
-rxn:5:183229:226583:225631,CN1CCN(c2ccc(-c3cc(-c4ccc(CN5CCOCC5)s4)cc4c3SCCC4(C)C)cc2)CC1,HXFJSPRPDGNBIP-UHFFFAOYSA-N
-rxn:5:188787:226649:225799,O=[N+]([O-])c1cc(-c2cccnc2N2CCOCC2)c(-c2cncc(OC3CCOCC3)c2)cc1OC1CC1,SPMSWLKHMHKQDT-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:5:188931:226047:226323,COC(=O)c1cc(-c2ccc(OC(F)(F)F)c(F)c2F)cc(S(N)(=O)=O)c1-c1ccc(OC2CCCC2)nc1,JRZBEILZWLJSEP-UHFFFAOYSA-N
-rxn:5:189207:223065:229090,CC(=O)c1cc(-c2ccc(-c3ccc(N4CCNCC4)cc3F)cc2C(=O)ON2C(=O)CCC2=O)cs1,DQCUFTRMWARBKI-UHFFFAOYSA-N
-rxn:5:189207:226035:228468,COc1ccc(C(F)(F)F)c(F)c1-c1ccc(-c2cncc([N+](=O)[O-])c2C)c(C(=O)ON2C(=O)CCC2=O)c1,OHGMBXRMXSZVID-UHFFFAOYSA-N
-rxn:5:189207:226662:229012,CC(C)c1ccsc1-c1ccc(-c2ccc(N3CCN(C)CC3)s2)cc1C(=O)ON1C(=O)CCC1=O,UIGLXBFXULOWFX-UHFFFAOYSA-N
-rxn:5:189207:228803:223065,C[Si](C)(C)c1csc(-c2ccc(-c3ccc(N4CCNCC4)cc3F)c(C(=O)ON3C(=O)CCC3=O)c2)c1,LQWUHFVNLAMPOQ-UHFFFAOYSA-N
-rxn:5:189208:226662:229012,CC(C)c1ccsc1-c1cc(-c2ccc(N3CCN(C)CC3)s2)ccc1C(=O)ON1C(=O)CCC1=O,WBVJDVQKESSYKN-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:5:189209:223294:227978,CC(C)c1ccc(F)c(-c2cc(C(=O)ON3C(=O)CCC3=O)cc(-c3csc(N4CCNCC4)n3)c2)c1,XDDIMFJPATXAFS-UHFFFAOYSA-N
-rxn:5:189209:226875:228480,O=C(ON1C(=O)CCC1=O)c1cc(-c2cc(F)c(OC(F)F)cc2F)cc(-c2cc(F)ccc2[N+](=O)[O-])c1,OMPLLJNHBJYCRK-UHFFFAOYSA-N
-rxn:5:189210:223062:228320,COC(=O)c1cc(-c2cccc(-c3cnc(C4CCNCC4)cc3F)c2C(=O)ON2C(=O)CCC2=O)ccn1,WKEKSBWFBMPZKE-UHFFFAOYSA-N
-rxn:5:189210:228710:223065,CC(C)c1ncc(-c2cccc(-c3ccc(N4CCNCC4)cc3F)c2C(=O)ON2C(=O)CCC2=O)cn1,FDJXNPIKTOBOLG-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:5:189211:228803:223065,C[Si](C)(C)c1csc(-c2cccc(C(=O)ON3C(=O)CCC3=O)c2-c2ccc(N3CCNCC3)cc2F)c1,PREBASQBDGOTGB-UHFFFAOYSA-N
-rxn:5:189212:223065:228710,CC(C)c1ncc(-c2ccc(C(=O)ON3C(=O)CCC3=O)cc2-c2ccc(N3CCNCC3)cc2F)cn1,FNNKWJOXFGRRTL-UHFFFAOYSA-N
-rxn:5:189212:223065:229061,CC(C)n1cc(-c2ccc(C(=O)ON3C(=O)CCC3=O)cc2-c2ccc(N3CCNCC3)cc2F)cn1,YJTTUZMEODPQFJ-UHFFFAOYSA-N
-rxn:5:189212:226424:228097,CC1CCCN(c2csc(-c3cc(C(=O)ON4C(=O)CCC4=O)ccc3-c3cncc(CN(C)C)c3)c2)C1,XUGLUBNCASTPMU-UHFFFAOYSA-N
-rxn:5:189212:228097:226424,CC1CCCN(c2csc(-c3ccc(C(=O)ON4C(=O)CCC4=O)cc3-c3cncc(CN(C)C)c3)c2)C1,XOZZHNPAACBZMI-UHFFFAOYSA-N
-rxn:5:189212:228566:226679,CC(C)Cc1sccc1-c1cc(C(=O)ON2C(=O)CCC2=O)ccc1-c1cnc(N2CCCC2)cc1F,QWMKLDOKQNAKFI-UHFFFAOYSA-N
-rxn:5:189212:228710:223065,CC(C)c1ncc(-c2cc(C(=O)ON3C(=O)CCC3=O)ccc2-c2ccc(N3CCNCC3)cc2F)cn1,ZDCJQWGACDYLGM-UHFFFAOYSA-N
-rxn:5:189321:225600:225873,CC(C)(C)OC(=O)c1nc(-c2cccnc2OC2CCCCC2)ccc1-c1cccc(N2CCOCC2=O)c1,KDJQKDBFRCMKQR-UHFFFAOYSA-N
-rxn:5:189449:228153:225607,COc1cc(OC)cc(-c2ccc(-c3ccc(C(C)N4CCCCC4)s3)cc2C(=O)N2CC(OC)C2)c1,YXKBQJKGLBVYHM-UHFFFAOYSA-N
-rxn:5:189540:225794:226898,COC1CN(Cc2cc(-c3cnc(OC4CCCCC4)nc3)ccc2-c2cn(S(=O)(=O)N(C)C)nc2C)C1,RCXZFYPGEUQEIB-UHFFFAOYSA-N
-rxn:5:189662:225671:225577,N#Cc1cc(N2CCCC2)ccc1-c1ncc(-c2cc(C3CCCCC3)ncc2F)cc1OCC1CCOCC1,JHWMWEIXVXCUIQ-UHFFFAOYSA-N
-rxn:5:189670:225945:226750,COc1ccc(C(F)(F)F)cc1-c1ccc(-c2ccc(C#CC(F)(F)F)c(F)c2)cc1/C=N/S(=O)C(C)(C)C,KOHWVVIVHQGHDZ-ODQASSKESA-N
-rxn:5:189674:223148:223058,CC(C)(C)S(=O)/N=C/c1ccc(-c2cc(F)nc(C3CCCNC3)c2)cc1-c1ccccc1C1CNCCO1,NQOWMDWDIAFOAK-XZYGTATASA-N
-rxn:5:189718:226033:228124,CCOc1cc(C)c(-c2cc([N+](=O)[O-])c(OC3CCOCC3)cc2-c2cc(OC)c(F)c(C(F)(F)F)c2)cn1,LYBYCDYZRPREAW-UHFFFAOYSA-N
-rxn:5:189908:223202:222989,Cc1cc(N2CCNCC2)ccc1-c1ncc(-c2ccc(C3(O)CCC3)cc2)cc1OCC1CCCCC1,BXSJHZWXQNTTBI-UHFFFAOYSA-N
-rxn:5:189908:226661:227297,CN(C)Cc1ccc(F)c(-c2ncc(-c3cc(N4CCN(C)CC4)cs3)cc2OCC2CCCCC2)c1,FACOJRWHLGIXDV-UHFFFAOYSA-N
-rxn:5:189952:226571:223006,COc1c(-c2ccc(F)c(C3CCNCC3)c2)cc(C(=O)N2CCOCC2)cc1-c1cnn(CC2CCOCC2)c1,YNPIMSVDQMEIES-UHFFFAOYSA-N
-rxn:5:189952:226664:227968,COc1c(-c2cc(N3CCCC3)ncc2F)cc(C(=O)N2CCOCC2)cc1-c1cnccc1C1CCC1,QAXNTFFRWQIFNW-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:5:190001:226147:226438,Cc1cc(OC(C)C)cc(C)c1-c1cc(CC(=O)N2CCCCC2)ccc1-c1cnc(C2CCCC2)cc1F,IHXQJJCQZANGSG-UHFFFAOYSA-N
-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:5:190128:227661:226144,COC1CCN(C(=O)c2ccc(-c3ccc(C(F)(F)F)cc3C)c(-c3ccc(C#C[Si](C)(C)C)cc3)c2)CC1,UYEBJAIVELNTTD-UHFFFAOYSA-N
-rxn:5:190128:228908:225813,COc1cc(-c2ccc(C(=O)N3CCC(OC)CC3)cc2-c2cc(F)c(OC(C)C)c(F)c2C)c(F)cn1,XXIBQWYHGMEVSR-UHFFFAOYSA-N
-rxn:5:190131:228256:226132,COc1cc(-c2cc(C(=O)N3CCCCC3)cc(-c3ccc(C4(C#N)CC4)cc3C)c2OC)cc(C)c1F,ASASIYSAFBEUGC-UHFFFAOYSA-N
-rxn:5:190194:226661:225888,COC1CCN(Cc2cccc(-c3cc(N4CCN(C)CC4)cs3)c2-c2cc3nc(C)n(C)c3c(F)c2F)CC1,HWKQROVTIUCGFO-UHFFFAOYSA-N
-rxn:5:190194:226661:227297,COC1CCN(Cc2cccc(-c3cc(N4CCN(C)CC4)cs3)c2-c2cc(CN(C)C)ccc2F)CC1,SLKXJDCTRAIXIR-UHFFFAOYSA-N
-rxn:5:190194:226661:227301,COC1CCN(Cc2cccc(-c3cc(N4CCN(C)CC4)cs3)c2-c2ccc(F)cc2CN(C)C)CC1,GOCICEOQDIXQLT-UHFFFAOYSA-N
-rxn:5:190194:226662:225888,COC1CCN(Cc2cccc(-c3ccc(N4CCN(C)CC4)s3)c2-c2cc3nc(C)n(C)c3c(F)c2F)CC1,IMJSPLRREMRHEN-UHFFFAOYSA-N
-rxn:5:190194:226850:226147,COc1cc(-c2cccc(CN3CCC(OC)CC3)c2-c2c(C)cc(OC(C)C)cc2C)cc(C(F)(F)F)n1,TZGDXQRZTWWLIV-UHFFFAOYSA-N
-rxn:5:190195:222417:223065,CC(C)c1[nH]c(=O)ncc1-c1ccc(CN(C)C2CCOCC2)cc1-c1ccc(N2CCNCC2)cc1F,FJGCKFUWXNBUEU-UHFFFAOYSA-N
-rxn:5:190195:226028:227858,CN1Cc2cccc(-c3cc(CN(C)C4CCOCC4)ccc3-c3ccc(C(F)(F)F)c(C#N)c3F)c2C1,FBJBVVXULPIMHL-UHFFFAOYSA-N
-rxn:5:190195:226150:223273,CNC(=O)c1cccc(-c2cc(CN(C)C3CCOCC3)ccc2-c2cccc(SC3CCCC3)c2)c1F,FVKGSWQLRNFPOH-UHFFFAOYSA-N
-rxn:5:190195:226901:227767,CCn1cc(-c2cc(CN(C)C3CCOCC3)ccc2-c2cccc(S(F)(F)(F)(F)F)c2)c(C(F)(F)F)n1,KFAYQZYCNBFTCW-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:5:190196:225976:222417,CC(C)c1[nH]c(=O)ncc1-c1cc(-c2ccnc(N3CCOCC3)c2F)ccc1CN(C)C1CCOCC1,JQMNMNWSSDYXBA-UHFFFAOYSA-N
-rxn:5:190197:225985:227916,CN(Cc1ccc(-c2ccc(OC3CC3)cc2)cc1-c1cccc(N2CCCS2(=O)=O)c1)C1CCOCC1,OKFHCGITCXTMTF-UHFFFAOYSA-N
-rxn:5:190197:228703:225982,CN(Cc1ccc(-c2cnc(N3CCOCC3)cc2F)cc1-c1cnn(C2CCC2)c1)C1CCOCC1,XWJZFKJDZVDHRL-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:5:190198:227301:223064,CN(C)Cc1cc(F)ccc1-c1cccc(-c2ccc(C3CCNCC3)nc2F)c1CN(C)C1CCOCC1,OSPNNZXCNZBYSR-UHFFFAOYSA-N
-rxn:5:190198:227301:226425,CC1CCCCN1c1ccc(-c2cccc(-c3ccc(F)cc3CN(C)C)c2CN(C)C2CCOCC2)s1,XGVXRHZWGGMTIC-UHFFFAOYSA-N
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-rxn:5:190201:225803:222417,CC1CN(CCc2cc(-c3ccnc(OC4CCOCC4)c3)ccc2-c2cnc(=O)[nH]c2C(C)C)CCO1,AKTZPUVRSFMWLI-UHFFFAOYSA-N
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-rxn:5:190307:226662:227301,CC1CCN(CCc2cc(-c3ccc(N4CCN(C)CC4)s3)ccc2-c2ccc(F)cc2CN(C)C)CC1,QYNGHLKIUBHZPX-UHFFFAOYSA-N
-rxn:5:190309:225811:225886,CC1CCCCN1CCc1cc(-c2ccc(C3(C(F)(F)F)CC3)cc2)ccc1-c1ccc2c(ccn2S(C)(=O)=O)c1,NDVSPOKQKJLBSW-UHFFFAOYSA-N
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-rxn:5:190742:225976:225655,CCOC(=O)c1cnc2c(C)ccc(-c3ccnc(N4CCOCC4)c3F)c2c1-c1cncc(N2CCC(C)CC2)c1,FMURSKQTWOWGNL-UHFFFAOYSA-N
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-rxn:5:190799:226644:225980,CC(C)(C)OC(=O)n1ccc2c(-c3cncc(N4CCOCC4)c3)c(-c3cc(N4CCOCC4)ncc3F)ccc21,LKQARMVJBBFDDP-UHFFFAOYSA-N
-rxn:5:190833:225603:223172,CC(C)(C)OC(=O)N1Cc2c(-c3cc4cc([N+](=O)[O-])ccc4[nH]3)ccc(-c3cccc(C4(C#N)CCC4)c3F)c2C1=O,LVXJEJIINGBANH-UHFFFAOYSA-N
-rxn:5:190859:225451:228503,CC(C)(C)OC(=O)N1CCc2c1ccc(-c1ccc(SC3CCCCC3)cc1)c2-c1ccc2c(c1)CCC2,NMYHHLJSEIPPAP-UHFFFAOYSA-N
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-rxn:5:193382:222987:222988,Cc1cc(-c2cc(-c3ccc(C4CCNCC4)nc3C)ccc2S(=O)(=O)N2CCOCC2)cc(C2CCNCC2)n1,IMNFAEUHGWPTCC-UHFFFAOYSA-N
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-rxn:5:193382:222996:225868,O=S(=O)(c1ccc(-c2ccc(F)cc2C2CCCNC2)cc1-c1ccc(N2CCOCC2)c(F)c1)N1CCOCC1,VSMMCJWJIQWXCK-UHFFFAOYSA-N
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-rxn:5:193382:223000:223200,O=S(=O)(c1ccc(-c2ccc(C3CCCNC3)c(F)c2)cc1-c1ccc(C2CCNC2)cc1)N1CCOCC1,PHHUUSVDEPPUTR-UHFFFAOYSA-N
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-rxn:5:193382:225683:223000,Cc1nc(C2CCCOC2)ccc1-c1ccc(S(=O)(=O)N2CCOCC2)c(-c2ccc(C3CCCNC3)c(F)c2)c1,YMCSCVOGMDORJN-UHFFFAOYSA-N
-rxn:5:193382:225784:225976,O=S(=O)(c1ccc(-c2ccc(CN3CCOCC3)nc2)cc1-c1ccnc(N2CCOCC2)c1F)N1CCOCC1,AEIILRURSCFAOT-UHFFFAOYSA-N
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-rxn:5:193382:226335:227613,N#Cc1cc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3cnn(C4CCOCC4)c3)c2)ccc1C1COC1,UFMMALLABPQIPT-UHFFFAOYSA-N
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-rxn:5:193382:226643:222985,Cc1nc(C2CCCNC2)ccc1-c1cc(-c2ccc(N3CCOCC3)nc2)ccc1S(=O)(=O)N1CCOCC1,UYLYEWNNBDPZRJ-UHFFFAOYSA-N
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-rxn:5:193382:226644:222957,Cc1cc(-c2cc(-c3cncc(N4CCOCC4)c3)ccc2S(=O)(=O)N2CCOCC2)cc(C2CCCNC2)c1,WKJBVOVGTKLFNT-UHFFFAOYSA-N
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-rxn:5:193382:227438:226366,O=S(=O)(c1ccc(-c2ccnc(C3CCOC3)c2)cc1-c1ccnc(N2CCCCC2)c1)N1CCOCC1,UDRGVJWODJGAQV-UHFFFAOYSA-N
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-rxn:5:193382:228868:223064,COC(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3ccc(C4CCNCC4)nc3F)c2)s1,BLNKALWEHVQXDX-UHFFFAOYSA-N
-rxn:5:193506:223002:228965,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(C4CCNCC4)cc3F)cc2-c2ccc([N+](=O)[O-])nc2)CC1,CARWDRDSZMKZDX-UHFFFAOYSA-N
-rxn:5:193506:223054:228878,CC(c1ccc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3cnn(C4COC4)c3)c2)s1)N1CCC(O)C1,FBARQGUGHUAMPB-UHFFFAOYSA-N
-rxn:5:193506:223139:226662,CN1CCN(c2ccc(-c3cc(-c4ccc(C5CCNCC5)nc4)ccc3S(=O)(=O)N3CCC(=O)CC3)s2)CC1,RDLKYZKEROEPCH-UHFFFAOYSA-N
-rxn:5:193506:228879:226425,CC1CCCCN1c1ccc(-c2cc(-c3ccnn3C3COC3)ccc2S(=O)(=O)N2CCC(=O)CC2)s1,YRNHICVCMFBGFN-UHFFFAOYSA-N
-rxn:5:193506:229056:222958,Cc1ccc(-c2cc(-c3ccnn3C(C)C)ccc2S(=O)(=O)N2CCC(=O)CC2)cc1C1CCNCC1,ZHXPSFKKYDOJGR-UHFFFAOYSA-N
-rxn:5:193681:225976:227024,CC(c1cccc(-c2ccc(-c3ccnc(N4CCOCC4)c3F)cc2OC2CCN(C)CC2)c1)N(C)C,CTGJUZYDGPBBSD-UHFFFAOYSA-N
-rxn:5:193681:225976:227297,CN(C)Cc1ccc(F)c(-c2ccc(-c3ccnc(N4CCOCC4)c3F)cc2OC2CCN(C)CC2)c1,YHGBNHIEPNRGNV-UHFFFAOYSA-N
-rxn:5:193681:225976:227298,CN(C)Cc1ccc(F)cc1-c1ccc(-c2ccnc(N3CCOCC3)c2F)cc1OC1CCN(C)CC1,XTLZDODNRUZHDT-UHFFFAOYSA-N
-rxn:5:193681:225978:227297,CN(C)Cc1ccc(F)c(-c2ccc(-c3ccc(N4CCOCC4)nc3F)cc2OC2CCN(C)CC2)c1,CZYFNEPHIUCXMM-UHFFFAOYSA-N
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-rxn:5:193681:226661:227316,CC(C)Cc1cc(-c2ccc(-c3cc(N4CCN(C)CC4)cs3)cc2OC2CCN(C)CC2)cc(F)n1,LTHCGZMXGDQJAH-UHFFFAOYSA-N
-rxn:5:193681:226662:227298,CN(C)Cc1ccc(F)cc1-c1ccc(-c2ccc(N3CCN(C)CC3)s2)cc1OC1CCN(C)CC1,RUTPJIWISCHWTM-UHFFFAOYSA-N
-rxn:5:193681:226662:227299,CN(C)Cc1cc(F)cc(-c2ccc(-c3ccc(N4CCN(C)CC4)s3)cc2OC2CCN(C)CC2)c1,JKORXMJMDAYTIM-UHFFFAOYSA-N
-rxn:5:193681:226662:227314,CC(C)Cc1ccc(-c2ccc(-c3ccc(N4CCN(C)CC4)s3)cc2OC2CCN(C)CC2)c(F)n1,SZKCKXTXKKVBSD-UHFFFAOYSA-N
-rxn:5:193681:226662:227316,CC(C)Cc1cc(-c2ccc(-c3ccc(N4CCN(C)CC4)s3)cc2OC2CCN(C)CC2)cc(F)n1,TXUKSXNJDXXAFT-UHFFFAOYSA-N
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-rxn:5:193681:227076:226662,CCC(C)c1ccc(F)c(-c2ccc(-c3ccc(N4CCN(C)CC4)s3)c(OC3CCN(C)CC3)c2)c1,VKEXZPFXZBFIJC-UHFFFAOYSA-N
-rxn:5:193681:227077:226662,CCC(C)c1ccc(-c2ccc(-c3ccc(N4CCN(C)CC4)s3)c(OC3CCN(C)CC3)c2)c(F)c1,PFCDGPKDFGIZFD-UHFFFAOYSA-N
-rxn:5:193681:227297:226661,CN(C)Cc1ccc(F)c(-c2ccc(-c3cc(N4CCN(C)CC4)cs3)c(OC3CCN(C)CC3)c2)c1,VDVSRTWRWXHPBS-UHFFFAOYSA-N
-rxn:5:193681:227297:226662,CN(C)Cc1ccc(F)c(-c2ccc(-c3ccc(N4CCN(C)CC4)s3)c(OC3CCN(C)CC3)c2)c1,LECQDAVBORMRMT-UHFFFAOYSA-N
-rxn:5:193681:227298:226662,CN(C)Cc1ccc(F)cc1-c1ccc(-c2ccc(N3CCN(C)CC3)s2)c(OC2CCN(C)CC2)c1,NDXOADVKJVSFSB-UHFFFAOYSA-N
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-rxn:5:193681:227316:226661,CC(C)Cc1cc(-c2ccc(-c3cc(N4CCN(C)CC4)cs3)c(OC3CCN(C)CC3)c2)cc(F)n1,UKFUXOOQXDVIMQ-UHFFFAOYSA-N
-rxn:5:193681:227319:226661,CC(C)Cc1cc(-c2ccc(-c3cc(N4CCN(C)CC4)cs3)c(OC3CCN(C)CC3)c2)c(F)cn1,SFHLHYDLSHZAHE-UHFFFAOYSA-N
-rxn:5:193681:227496:226661,CCN(C)c1cc(F)c(-c2ccc(-c3cc(N4CCN(C)CC4)cs3)c(OC3CCN(C)CC3)c2)cn1,CSZUVNYMWIUZEO-UHFFFAOYSA-N
-rxn:5:193681:227496:226662,CCN(C)c1cc(F)c(-c2ccc(-c3ccc(N4CCN(C)CC4)s3)c(OC3CCN(C)CC3)c2)cn1,WHMPFWSWGGKPDH-UHFFFAOYSA-N
-rxn:5:193749:225602:226028,CC1CCCCN1C(=O)c1cc(-c2cc(C3(C#N)CCC3)ccc2F)ccc1-c1ccc(C(F)(F)F)c(C#N)c1F,SAPJCZJEDBJQFZ-UHFFFAOYSA-N
-rxn:5:193752:227426:225514,CC1CCCN(C(=O)c2ccc(-c3ccc(C4CCCO4)nc3)c(-c3cccc4c3OCC3(CC3)CO4)c2)C1,OKBUIQVFUSCKBV-UHFFFAOYSA-N
-rxn:5:193753:225593:225886,CC1CCCCN1C(=O)c1cc(-c2cc(F)cc(CN3CCCC3)c2)cc(-c2ccc3c(ccn3S(C)(=O)=O)c2)c1,UQSJRXZRTHDFPA-UHFFFAOYSA-N
-rxn:5:193756:223136:226745,CCc1ncc(C(F)(F)F)cc1-c1cc(-c2ccncc2C2CCCNC2)ccc1C(=O)N1CCCCC1C,OMQYGAGYXYMZPW-UHFFFAOYSA-N
-rxn:5:193756:225600:226779,CC1CCCCN1C(=O)c1ccc(-c2cccnc2OC2CCCCC2)cc1-c1ccc(C(=O)C(F)(F)F)cc1,HEAXJELANAZQTN-UHFFFAOYSA-N
-rxn:5:193756:225605:228339,COC(=O)c1cnccc1-c1cc(-c2cc(C)cnc2OC2CCCC2)ccc1C(=O)N1CCCCC1C,CUDIVGYBLMZAES-UHFFFAOYSA-N
-rxn:5:193756:225613:225605,Cc1cnc(OC2CCCC2)c(-c2cc(-c3ccnc(OC4CCCCC4)c3)ccc2C(=O)N2CCCCC2C)c1,KFIPKKIKNZWZFF-UHFFFAOYSA-N
-rxn:5:193756:225849:226588,CC1CCCCN1C(=O)c1ccc(-c2cnc(N3CCCCC3)cc2F)cc1-c1cc(OC2CCC2)ncc1F,SYSNIIPVYPLYLM-UHFFFAOYSA-N
-rxn:5:193756:225849:227413,CC1CCCCN1C(=O)c1ccc(-c2cnc(N3CCCCC3)cc2F)cc1-c1cnc(C2CCC2)cc1F,PXXQCASMPLFPDL-UHFFFAOYSA-N
-rxn:5:193756:226182:226664,CC1CCCCN1C(=O)c1ccc(-c2cccnc2C2CCCCC2)cc1-c1cc(N2CCCC2)ncc1F,HYAZGKYSYFZDQU-UHFFFAOYSA-N
-rxn:5:193756:226182:227025,CCc1ncc(C2CC2)cc1-c1cc(-c2cccnc2C2CCCCC2)ccc1C(=O)N1CCCCC1C,GJMUXVQPKOJXLJ-UHFFFAOYSA-N
-rxn:5:193756:226338:226176,CC1CCCCN1C(=O)c1ccc(-c2ccnc(OC3CCCC3)c2)cc1-c1ccncc1C1CCCCC1,KUKGEUJRUIZKRT-UHFFFAOYSA-N
-rxn:5:193756:226587:225605,Cc1cnc(OC2CCCC2)c(-c2cc(-c3cnc(OC4CCC4)cc3F)ccc2C(=O)N2CCCCC2C)c1,DWAXANMTOOYHAZ-UHFFFAOYSA-N
-rxn:5:193756:226588:226182,CC1CCCCN1C(=O)c1ccc(-c2cc(OC3CCC3)ncc2F)cc1-c1cccnc1C1CCCCC1,HOPMILVHXUZGSS-UHFFFAOYSA-N
-rxn:5:193756:226664:226747,CCc1ncc(-c2cc(-c3cc(N4CCCC4)ncc3F)ccc2C(=O)N2CCCCC2C)cc1C(F)(F)F,PGDOBUGROHIMLB-UHFFFAOYSA-N
-rxn:5:193756:226744:223136,CCc1cc(-c2ccc(C(=O)N3CCCCC3C)c(-c3ccncc3C3CCCNC3)c2)cnc1C(F)(F)F,FXFVLYOOJQVIOO-UHFFFAOYSA-N
-rxn:5:193756:226745:223136,CCc1ncc(C(F)(F)F)cc1-c1ccc(C(=O)N2CCCCC2C)c(-c2ccncc2C2CCCNC2)c1,KADTYLGSFXWSTJ-UHFFFAOYSA-N
-rxn:5:193756:226747:225671,CCc1ncc(-c2ccc(C(=O)N3CCCCC3C)c(-c3cc(C4CCCCC4)ncc3F)c2)cc1C(F)(F)F,FHSCPVGNTDTVFO-UHFFFAOYSA-N
-rxn:5:193756:226842:226844,CC1CCCCN1C(=O)c1ccc(-c2cncc(C(=O)C(F)(F)F)c2)cc1-c1ccnc(C(=O)C(F)(F)F)c1,XIWSQVJOLDRPOU-UHFFFAOYSA-N
-rxn:5:193756:226843:225613,CC1CCCCN1C(=O)c1ccc(-c2ccc(C(=O)C(F)(F)F)nc2)cc1-c1ccnc(OC2CCCCC2)c1,CFZWQMPNUJICNL-UHFFFAOYSA-N
-rxn:5:193756:227086:225613,CC1CCCCN1C(=O)c1ccc(-c2ccnc(C3CCCC3)c2)cc1-c1ccnc(OC2CCCCC2)c1,OVKXPLIQSOFLPU-UHFFFAOYSA-N
-rxn:5:193756:227094:225819,CC1CCCCN1C(=O)c1ccc(-c2cnccc2C2CCCC2)cc1-c1cc(C(F)(F)F)ccc1C1CC1,RHRNIDJVDYUXFO-UHFFFAOYSA-N
-rxn:5:193756:227512:225674,COC(=O)c1cc(-c2ccc(C(=O)N3CCCCC3C)c(-c3cnc(C4CCCCC4)cc3F)c2)c(C)cn1,XGHQDMKOZRZOAT-UHFFFAOYSA-N
-rxn:5:193808:226654:227301,CC1CCN(Cc2cc(-c3csc(N4CCC(C)CC4)n3)ccc2-c2ccc(F)cc2CN(C)C)CC1,XDVUGFMNLIDEDB-UHFFFAOYSA-N
-rxn:5:193869:226335:227611,Cc1cc(-c2ccc(C3COC3)c(C#N)c2)c(S(=O)(=O)N2CCCCC2)cc1-c1ccnn1C1CCCCO1,KNQRIGPEMJHATF-UHFFFAOYSA-N
-rxn:5:193870:226215:228401,CO/N=C1\CCc2cc(-c3cc(-c4c(F)ccc(F)c4OC)c(S(=O)(=O)N4CCCCC4)cc3C)ccc21,XKUPUHLKMGJFIB-HMZBKAONSA-N
-rxn:5:193871:226901:226175,Cc1cc(N2CCCC2)ccc1-c1ccc(C(=O)N2CCC3(CC2)CC3)cc1-c1cccc(S(F)(F)(F)(F)F)c1,YBWLMRLCAKSQIY-UHFFFAOYSA-N
-rxn:5:193872:226848:226411,COc1ccc(-c2ccc(C(=O)N3CCC4(CC3)CC4)cc2-c2ccc(N3CCOCC3)cc2)c(C(F)(F)F)n1,BNEBLKKLHZXWPG-UHFFFAOYSA-N
-rxn:5:193872:227667:227446,CC(=O)c1ccc(F)c(-c2ccc(C(=O)N3CCC4(CC3)CC4)cc2-c2ccc(C3OCCO3)cc2)c1F,LRJCJWKEWMOMKT-UHFFFAOYSA-N
-rxn:5:193872:228248:225813,CC(=O)c1ccc(-c2ccc(C(=O)N3CCC4(CC3)CC4)cc2-c2cc(F)c(OC(C)C)c(F)c2C)c(F)c1,XSQBYMUYIOBKSL-UHFFFAOYSA-N
-rxn:5:193892:226139:226583,O=C1CSC(c2ccc(-c3ccc(CN4CCOCC4)s3)cc2)C(=O)N1c1ccc(-c2cc(C3CC3)cnc2C2CC2)cc1,XRFHNHWCYRFXQY-UHFFFAOYSA-N
-rxn:5:193932:225926:229087,CC(=O)c1ccsc1-c1ccc(C(=O)N2CC(C)CC(C)C2)cc1-c1ccc(S(=O)(=O)N2CCC2)cc1,WHCSEDMUHLUQFV-UHFFFAOYSA-N
-rxn:5:193967:227353:228231,COc1cc(C)c(-c2ccc(CN3CCC4(CC3)OCCO4)c(-c3ccc(N(C)C)cc3F)c2)c(OC)c1,LCTRMAKHEQDTAG-UHFFFAOYSA-N
-rxn:5:193968:227315:227296,CC(C)Cc1cc(F)c(-c2ccc(-c3ccc(OC4CCC4)nc3)c(CN3CCC4(CC3)OCCO4)c2)cn1,QWOPUNYLFROEQY-UHFFFAOYSA-N
-rxn:5:193972:225661:228767,CCc1cc(-c2cc(S(=O)(=O)N3CCCCCC3)c(-c3ccc(N4CCOCC4)cc3C)cc2C)cc(F)n1,CKWTXIODPHWZJL-UHFFFAOYSA-N
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-rxn:5:197876:225591:227023,CC(c1ccc(-c2cc3c(cc2-c2cc(CN4CCCC4)ccc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1)N(C)C,HESFFNXSHVXJAY-UHFFFAOYSA-N
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-rxn:5:197876:225815:228512,CC#Cc1cccc(-c2cc3c(cc2-c2ccc(C4CC4)cc2C(F)(F)F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,SZLZDFYESDWJQV-UHFFFAOYSA-N
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-rxn:5:197876:225927:228811,CSc1ccc(F)c(-c2cc3c(cc2-c2cc(C(F)(F)F)ccc2N(C)C)S(=O)(=O)N(C(C)(C)C)C3=O)c1,YJIGPFFQZYPWFM-UHFFFAOYSA-N
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-rxn:5:197876:226031:228762,CCn1cc(-c2cc3c(cc2-c2ccc(C(F)(F)F)cc2C(F)F)S(=O)(=O)N(C(C)(C)C)C3=O)ccc1=O,NUZWRPVJLZTXKM-UHFFFAOYSA-N
-rxn:5:197876:226032:228505,CCCc1ccc(-c2cc3c(cc2-c2cc(OC)cc(C(F)(F)F)c2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1,KXEYEMPQLUAOGC-UHFFFAOYSA-N
-rxn:5:197876:226058:226189,CC(C)c1cccc(C(C)C)c1-c1cc2c(cc1-c1ccc(C3CCCC3)c(F)c1)C(=O)N(C(C)(C)C)S2(=O)=O,KPNRTROMPISHPM-UHFFFAOYSA-N
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-rxn:5:197876:226190:228282,CC(F)(F)c1ccccc1-c1cc2c(cc1-c1ccc(C3CCCC3)cc1F)S(=O)(=O)N(C(C)(C)C)C2=O,HNYWTZSWHLRLKA-UHFFFAOYSA-N
-rxn:5:197876:226191:227956,Cc1cc(-c2cc3c(cc2-c2cc(C4CCCC4)ccc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc(C(C)C)n1,PQJJFMUFFMMPFK-UHFFFAOYSA-N
-rxn:5:197876:226325:225439,CC(c1cccc(-c2cc3c(cc2-c2ccc(C(C)(C)C#N)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1)N1CCCC1,IQLOLJRCHSWUCU-UHFFFAOYSA-N
-rxn:5:197876:226325:227289,CC(C)(C)Oc1ncccc1-c1cc2c(cc1-c1ccc(C(C)(C)C#N)cc1F)S(=O)(=O)N(C(C)(C)C)C2=O,WYMJZXBYUKHNBE-UHFFFAOYSA-N
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-rxn:5:197876:226596:227955,Cc1cnc(C(C)C)c(-c2cc3c(cc2-c2ccc(F)c(OC(C)C)c2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,QSUPKMXXQHFJAP-UHFFFAOYSA-N
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-rxn:5:197876:226709:225512,Cc1cc(C(F)(F)F)cc(C)c1-c1cc2c(cc1-c1cccc3cc([Si](C)(C)C)sc13)C(=O)N(C(C)(C)C)S2(=O)=O,YFFVERUOQNYIFL-UHFFFAOYSA-N
-rxn:5:197876:226709:228631,Cc1cc(C(F)(F)F)cc(C)c1-c1cc2c(cc1-c1ccsc1C1CCC1)C(=O)N(C(C)(C)C)S2(=O)=O,HRUGDPJQBXUQIA-UHFFFAOYSA-N
-rxn:5:197876:226762:228002,CSc1cc(-c2cc3c(cc2-c2sccc2C2CCCC2)C(=O)N(C(C)(C)C)S3(=O)=O)cc(C(F)(F)F)c1,DTHBAPMIQHKUQY-UHFFFAOYSA-N
-rxn:5:197876:226767:228263,COc1ccc(C(F)(F)F)c(-c2cc3c(cc2-c2ccc(C(C)(F)F)cc2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,UQENPSFOMCFNAI-UHFFFAOYSA-N
-rxn:5:197876:226768:226329,CSc1ccc(-c2cc3c(cc2-c2ccc(C4(C#N)CC4)c(F)c2)C(=O)N(C(C)(C)C)S3(=O)=O)cc1C(F)(F)F,XSMQLLZGRKDIIK-UHFFFAOYSA-N
-rxn:5:197876:226768:228206,CSc1ccc(-c2cc3c(cc2-c2cc(F)cc(N(C)C)c2)C(=O)N(C(C)(C)C)S3(=O)=O)cc1C(F)(F)F,BSLGLNARCNUSDK-UHFFFAOYSA-N
-rxn:5:197876:226826:228327,COc1cc(-c2cc3c(cc2-c2cc(C)cc(C(F)(F)F)c2F)S(=O)(=O)N(C(C)(C)C)C3=O)cnc1OC,HNIQTGQYJIMWEH-UHFFFAOYSA-N
-rxn:5:197876:226842:226926,Cc1cc(C(C)(C)C)ccc1-c1cc2c(cc1-c1cncc(C(=O)C(F)(F)F)c1)S(=O)(=O)N(C(C)(C)C)C2=O,SRMRDSMBCSMYBV-UHFFFAOYSA-N
-rxn:5:197876:226847:227811,CSc1ncc(C(F)(F)F)cc1-c1cc2c(cc1-c1ccc(CC(C)C)cc1)C(=O)N(C(C)(C)C)S2(=O)=O,DHEJNBSSWUXIFF-UHFFFAOYSA-N
-rxn:5:197876:226875:227933,CCc1ccc(OC)cc1-c1cc2c(cc1-c1cc(F)c(OC(F)F)cc1F)S(=O)(=O)N(C(C)(C)C)C2=O,DKMMBUNNBUKHQL-UHFFFAOYSA-N
-rxn:5:197876:226875:228227,CC(C)c1ccc(-c2cc3c(cc2-c2cc(F)c(OC(F)F)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c(F)n1,XOKPCZYOMBKVHM-UHFFFAOYSA-N
-rxn:5:197876:226876:227971,CC(C)(C)c1ccncc1-c1cc2c(cc1-c1ccc(F)cc1OC(F)(F)F)S(=O)(=O)N(C(C)(C)C)C2=O,YNAMDIHRFVGFTA-UHFFFAOYSA-N
-rxn:5:197876:226883:228327,COc1cc(-c2cc3c(cc2-c2c(F)ccc(C(F)(F)F)c2F)S(=O)(=O)N(C(C)(C)C)C3=O)cnc1OC,BWVPUPBZLXZXNT-UHFFFAOYSA-N
-rxn:5:197876:226884:227834,Cc1cc(-c2cc3c(cc2-c2c(F)cc(C(F)(F)F)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)ccc1C1CC1,LDLRXEJWCZGKHL-UHFFFAOYSA-N
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-rxn:5:197876:226913:226920,CCc1cc(-c2cc3c(cc2-c2cc(C(C)(C)C)ccc2C)C(=O)N(C(C)(C)C)S3(=O)=O)cc(C2CC2)c1,GWHDSYQCKJOIQZ-UHFFFAOYSA-N
-rxn:5:197876:226914:227045,Cc1cc(CC(C)C)ccc1-c1cc2c(cc1-c1cccc(SC(C)(C)C)c1)C(=O)N(C(C)(C)C)S2(=O)=O,NHGXEYOYQHZSHU-UHFFFAOYSA-N
-rxn:5:197876:226914:227716,Cc1cc(CC(C)C)ccc1-c1cc2c(cc1-c1cccc(F)c1OC(F)F)C(=O)N(C(C)(C)C)S2(=O)=O,MLLWFIMQDYVJPI-UHFFFAOYSA-N
-rxn:5:197876:226917:226918,Cc1cc(-c2cc3c(cc2-c2ccc(C4=CCCC4)cc2)C(=O)N(C(C)(C)C)S3(=O)=O)cc(C(C)(C)C)c1,CZGBTTKPDQJTSO-UHFFFAOYSA-N
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-rxn:5:197876:226974:227737,Cc1cc(C(F)(F)F)ncc1-c1cc2c(cc1-c1ccc3c(c1)COC3(C)C)S(=O)(=O)N(C(C)(C)C)C2=O,XGTMAXZSWZBVHZ-UHFFFAOYSA-N
-rxn:5:197876:226974:228502,Cn1cc(C(F)(F)F)c(-c2cc3c(cc2-c2ccc4c(c2)COC4(C)C)S(=O)(=O)N(C(C)(C)C)C3=O)n1,DIZFVIJEOQEVTO-UHFFFAOYSA-N
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-rxn:5:197876:227048:223202,CC(C)C(=O)c1ccc(-c2cc3c(cc2-c2ccc(C4(O)CCC4)cc2)C(=O)N(C(C)(C)C)S3(=O)=O)cc1,OETJNRHAUFZJJE-UHFFFAOYSA-N
-rxn:5:197876:227048:226710,CC(C)C(=O)c1ccc(-c2cc3c(cc2-c2ccc(F)c([Si](C)(C)C)c2F)C(=O)N(C(C)(C)C)S3(=O)=O)cc1,QLCBWEYCYGZDEK-UHFFFAOYSA-N
-rxn:5:197876:227052:226869,CC(C)(C)Sc1ccc(-c2cc3c(cc2-c2cc(F)cc(OC(F)(F)F)c2)C(=O)N(C(C)(C)C)S3(=O)=O)cc1,OTSKYFGQYWYCGN-UHFFFAOYSA-N
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-rxn:5:197876:228502:225823,CC(C)c1cc(-c2cc3c(cc2-c2nn(C)cc2C(F)(F)F)S(=O)(=O)N(C(C)(C)C)C3=O)cc(C(F)(F)F)c1,BFBWYLOXCIVWDH-UHFFFAOYSA-N
-rxn:5:197876:228502:227047,Cn1cc(C(F)(F)F)c(-c2cc3c(cc2-c2cccc(SC4CCC4)c2)C(=O)N(C(C)(C)C)S3(=O)=O)n1,APCIUTKUDBGKBK-UHFFFAOYSA-N
-rxn:5:197876:228594:226031,CCc1cc(-c2cc3c(cc2-c2ccc(C(F)(F)F)cc2C(F)F)C(=O)N(C(C)(C)C)S3(=O)=O)cc(C)n1,UAQJPAJVNAKCSO-UHFFFAOYSA-N
-rxn:5:197876:228595:225811,CCc1ncc(C)cc1-c1cc2c(cc1-c1ccc(C3(C(F)(F)F)CC3)cc1)C(=O)N(C(C)(C)C)S2(=O)=O,FMGDMSTXRDDGLA-UHFFFAOYSA-N
-rxn:5:197876:228616:225824,CSc1ccc(-c2cc3c(cc2-c2cc(C4CC4)cc(C(F)(F)F)c2)C(=O)N(C(C)(C)C)S3(=O)=O)c(C)c1,NNJPNENRXVXNIH-UHFFFAOYSA-N
-rxn:5:197876:228713:226748,COc1cc(C(F)(F)F)ccc1-c1cc2c(cc1-c1ccn(C(C)(C)C)n1)S(=O)(=O)N(C(C)(C)C)C2=O,XWCDNWUHHVYTAV-UHFFFAOYSA-N
-rxn:5:197876:228720:225811,Cc1cnn(C(C)C)c1-c1cc2c(cc1-c1ccc(C3(C(F)(F)F)CC3)cc1)C(=O)N(C(C)(C)C)S2(=O)=O,GOPVOTHNPSKDHZ-UHFFFAOYSA-N
-rxn:5:197876:228824:225823,Cc1cc(F)c(-c2cc3c(cc2-c2cc(C(C)C)cc(C(F)(F)F)c2)C(=O)N(C(C)(C)C)S3(=O)=O)c(F)c1,QMDXLXZCKPEKCP-UHFFFAOYSA-N
-rxn:5:197876:228925:225438,CSc1cnc(F)c(-c2cc3c(cc2-c2ccc(C(C)N4CCCC4)cc2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,YHEAYRCTPAAVLE-UHFFFAOYSA-N
-rxn:5:198558:225407:225832,Cc1nn(C2CCCCO2)c(C)c1C1=NS(=O)(=O)c2cc(-c3ccc(C4CCCCCC4)cc3)ccc21,QCDZFZSMDMVLJS-UHFFFAOYSA-N
-rxn:5:198558:225445:225832,Cc1nn(C2CCCCO2)c(C)c1C1=NS(=O)(=O)c2cc(-c3ccccc3OC3CCCCC3)ccc21,ZHCURGJANYFDAL-UHFFFAOYSA-N
-rxn:5:198558:225447:225832,Cc1nn(C2CCCCO2)c(C)c1C1=NS(=O)(=O)c2cc(-c3ccc(OC4CCCCC4)cc3)ccc21,PFNOSJLRHBEAFM-UHFFFAOYSA-N
-rxn:5:198558:225449:225832,Cc1nn(C2CCCCO2)c(C)c1C1=NS(=O)(=O)c2cc(-c3cccc(OC4CCCCC4)c3)ccc21,FOEIFKZIYJDBDW-UHFFFAOYSA-N
-rxn:5:198558:225469:225832,Cc1nn(C2CCCCO2)c(C)c1C1=NS(=O)(=O)c2cc(-c3ccc(N4CCCC(C)C4)cc3)ccc21,WPIDWMYMJIRATB-UHFFFAOYSA-N
-rxn:5:198558:225470:225832,Cc1nn(C2CCCCO2)c(C)c1C1=NS(=O)(=O)c2cc(-c3ccc(N4CCC(C)CC4)cc3)ccc21,AKDPHPRXHSQUQR-UHFFFAOYSA-N
-rxn:5:198558:225617:225832,Cc1nn(C2CCCCO2)c(C)c1C1=NS(=O)(=O)c2cc(-c3ccc(OC4CCCCO4)cc3)ccc21,JEGHHDXNVOSASO-UHFFFAOYSA-N
-rxn:5:198558:225620:225832,Cc1nn(C2CCCCO2)c(C)c1C1=NS(=O)(=O)c2cc(-c3ccc(OC4CCOCC4)cc3)ccc21,VHZQWLYZUBAVJP-UHFFFAOYSA-N
-rxn:5:198558:225622:225832,Cc1nn(C2CCCCO2)c(C)c1C1=NS(=O)(=O)c2cc(-c3ccccc3OC3CCCCO3)ccc21,XDNWIKMUXGRBJQ-UHFFFAOYSA-N
-rxn:5:198558:225623:225832,Cc1nn(C2CCCCO2)c(C)c1C1=NS(=O)(=O)c2cc(-c3cccc(OC4CCOCC4)c3)ccc21,OUNCZNWESBDKON-UHFFFAOYSA-N
-rxn:5:198558:225633:225832,Cc1nn(C2CCCCO2)c(C)c1C1=NS(=O)(=O)c2cc(-c3ccc(N4CCCCCC4)nc3)ccc21,BNRQCSHPODTTSP-UHFFFAOYSA-N
-rxn:5:198558:225639:225832,Cc1nn(C2CCCCO2)c(C)c1C1=NS(=O)(=O)c2cc(-c3cccnc3N3CCC(C)CC3)ccc21,HTUIIMUXWXRQHK-UHFFFAOYSA-N
-rxn:5:198559:225445:225832,Cc1nn(C2CCCCO2)c(C)c1C1=NS(=O)(=O)c2ccc(-c3ccccc3OC3CCCCC3)cc21,LXRGOWUJKKZAFN-UHFFFAOYSA-N
-rxn:5:198559:225447:225832,Cc1nn(C2CCCCO2)c(C)c1C1=NS(=O)(=O)c2ccc(-c3ccc(OC4CCCCC4)cc3)cc21,IHICLLSHVNCVKL-UHFFFAOYSA-N
-rxn:5:198559:225469:225832,Cc1nn(C2CCCCO2)c(C)c1C1=NS(=O)(=O)c2ccc(-c3ccc(N4CCCC(C)C4)cc3)cc21,IJKCCWFUHBVHLP-UHFFFAOYSA-N
-rxn:5:198559:225617:225832,Cc1nn(C2CCCCO2)c(C)c1C1=NS(=O)(=O)c2ccc(-c3ccc(OC4CCCCO4)cc3)cc21,MLGSDUAKSPWENH-UHFFFAOYSA-N
-rxn:5:198559:225620:225832,Cc1nn(C2CCCCO2)c(C)c1C1=NS(=O)(=O)c2ccc(-c3ccc(OC4CCOCC4)cc3)cc21,QPOYWNJFWDKAKF-UHFFFAOYSA-N
-rxn:5:198559:225622:225832,Cc1nn(C2CCCCO2)c(C)c1C1=NS(=O)(=O)c2ccc(-c3ccccc3OC3CCCCO3)cc21,JMLLVLOZOAOJNI-UHFFFAOYSA-N
-rxn:5:198559:225623:225832,Cc1nn(C2CCCCO2)c(C)c1C1=NS(=O)(=O)c2ccc(-c3cccc(OC4CCOCC4)c3)cc21,SJGMDBNINZGNRP-UHFFFAOYSA-N
-rxn:4:173296:222589,CCOC(=O)CCOc1ccc(-c2ccc(OCCN3CCC(O)CC3)c(Cl)c2)cc1F,AQXFGCSFNQAHQJ-UHFFFAOYSA-N
-rxn:4:173337:224247,COCCOc1cc(-c2ccc(C(=O)N3CCC(C)CC3)cc2F)c(C(=O)OC)cc1F,JQVUMYCKZFRPJB-UHFFFAOYSA-N
-rxn:4:173455:224421,CC(C)c1cc(C(C)C)c(-c2ccccc2CC(=O)CC(=O)OC(C)(C)C)c(C(C)C)c1,PYFPGONIETXMHQ-UHFFFAOYSA-N
-rxn:4:173544:224182,COC(=O)c1ccc(-c2ccc(OCCN3CCOCC3)c(C)c2)c(OCCC2CCCCC2)c1,HATKAOIWQOIRLT-UHFFFAOYSA-N
-rxn:4:173550:225332,CCOc1ccc(OC(F)(F)F)cc1-c1cc(C(=O)OC(C)(C)C)cc(-c2ccccc2OC(F)(F)F)c1,XURCOPVOKATONG-UHFFFAOYSA-N
-rxn:4:173643:224842,COC(=O)c1c(C)oc2cc(-c3ccc4c(c3)C(C)(C)CCC4(C)C)c(OCC(=O)C(C)(C)C)cc12,JCQCBOGPMDGDKG-UHFFFAOYSA-N
-rxn:4:173659:223593,Cc1oc2ccc(OC(=O)c3ccc(-c4ccc(N5CCN(C(=O)OC(C)(C)C)CC5)c(Cl)c4)cc3)cc2c1C(=O)OC(C)C,GASGTPKIYIYHGC-UHFFFAOYSA-N
-rxn:4:173704:225286,COc1cccc2c(-c3cc(F)ncc3C(=O)OC(C)(C)C)ccc(O[Si](C(C)C)(C(C)C)C(C)C)c12,ONOFCAOUEUIEJE-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:4:173723:224365,CCCCOc1cc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)cc(C(F)(F)F)c1F,FJTRXPTTYVMNMV-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:4:173723:224806,CN(C1CC1)S(=O)(=O)c1ccc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)c(F)c1,ZXSZIWPFDVSKCI-UHFFFAOYSA-N
-rxn:4:173763:223898,COC(=O)C(=O)CC(=O)c1ccc(-c2ccc(N(C(=O)OC(C)(C)C)C(C)C)cc2)cc1,SSAXASAXEOCIIM-UHFFFAOYSA-N
-rxn:4:173770:223894,COC(=O)c1ccc(OCC(F)F)c(-c2cccc(OCCCN3CCN(C)CC3)c2)c1,PMIKHTOKSJKQEQ-UHFFFAOYSA-N
-rxn:4:173787:224187,COC(=O)c1cc(F)c(OCC(F)F)cc1-c1ccc(OCCN2CCCCC2)cc1F,LUZPCLPXGPLWCV-UHFFFAOYSA-N
-rxn:4:173802:222707,CC(C)(C)OC(=O)NCc1nccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)c1F,PXCFYLPJBVPPRT-UHFFFAOYSA-N
-rxn:4:173802:224746,CC(=O)N1CCN(c2ccc(-c3ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc3)cn2)CC1,FALDSSGMXFSYIO-UHFFFAOYSA-N
-rxn:4:173802:225300,O=S(=O)(OC(c1ccc(-c2ccc(OC3CCOCC3)nc2F)cc1)C(F)(F)F)C(F)(F)F,YWQVTPKGVBQDJP-UHFFFAOYSA-N
-rxn:4:174089:223532,CCCCc1ccc(C(=O)OC)cc1-c1cc(F)cc(CN2CCN(C(=O)OC(C)(C)C)CC2)c1,XRNNKWWCSOWIOL-UHFFFAOYSA-N
-rxn:4:174089:223748,CCCCc1ccc(C(=O)OC)cc1-c1cc(N2CCCCC2)cc(N2CCCCC2)c1,SKLRODIDHDEGPU-UHFFFAOYSA-N
-rxn:4:174100:223776,COC(=O)C(C)(C(=O)OC)c1ccc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)CCO3)cc1,HICSZCPOEXEXGQ-UHFFFAOYSA-N
-rxn:4:174143:222542,COC(=O)c1cc(-c2ccc(C)c(OCCCN3CCNCC3)c2)ccc1OCC(C)C,JBODXLQWWGSVNC-UHFFFAOYSA-N
-rxn:4:174317:224247,COC(=O)c1ccc(-c2ccc(C(=O)N3CCC(C)CC3)cc2F)c(OCC(C)(C)C)c1,AUKUORVZGJJXGV-UHFFFAOYSA-N
-rxn:4:174369:223635,COc1ccc(C(=O)Oc2ccc(-c3ccc(C4CCN(C(=O)OC(C)(C)C)CC4)cc3)cc2C(C)=O)cc1,YFXVECBQACXILS-UHFFFAOYSA-N
-rxn:4:174406:223935,COC(=O)C1(c2ccc(-c3cc4cccc(F)c4n3C(=O)OC(C)(C)C)cc2)CC(OC)(OC)C1,BTKYSWHJOJLVHL-UHFFFAOYSA-N
-rxn:4:174406:224883,COC(=O)C1(c2ccc(-c3ccc(C(C)N4CCCCC4)cc3)cc2)CC(OC)(OC)C1,OPMVKYMBGGTORC-UHFFFAOYSA-N
-rxn:4:174407:224420,COC(=O)C1(c2cccc(-c3cc4c(cc3C)C(C)(C)CCC4(C)C)c2)CC(OC)(OC)C1,CVHWZXMHBSAWJC-UHFFFAOYSA-N
-rxn:4:174433:222725,CCNS(=O)(=O)c1ccc(-c2ccc(OC(C)C)cc2C(=O)OC(C)(C)C)c(C(F)(F)F)c1,KNMLSIMVIHCUAQ-UHFFFAOYSA-N
-rxn:4:174441:224488,Cc1ccc(-c2ccc(C(=O)N(C(C)C)C(C)C)cc2)c(OC2(C(=O)OC(C)(C)C)CC2)c1,BWRIXIAKOCECHX-UHFFFAOYSA-N
-rxn:4:174446:223842,COC(=O)c1cc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC(C)CC2)c(-c2ccc(F)cc2)cc1OC(C)C,IMIQEFPNSNVYIM-UHFFFAOYSA-N
-rxn:4:174448:224484,CC(C)N(C(=O)c1ccccc1-c1ccc(C(=O)CO[Si](C)(C)C(C)(C)C)cc1)C(C)C,RABQQYFWZOUTKA-UHFFFAOYSA-N
-rxn:4:174480:224609,CC(C)N(C(=O)c1ccncc1-c1cc(C(=O)OC(C)(C)C)cc(-c2ccccc2C(F)(F)F)c1)C(C)C,RJJCCWOBSIVUOC-UHFFFAOYSA-N
-rxn:4:174514:222639,CC(C)[Si](Oc1cccc(-c2ccc([C@H](C)NC(=O)OC(C)(C)C)cc2)c1)(C(C)C)C(C)C,AXROAIUSGNWNLI-QFIPXVFZSA-N
-rxn:4:174522:223738,CC(C)[Si](C#Cc1ccc(-c2ccc3cc(O[Si](C)(C)C(C)(C)C)ccc3c2)cc1)(C(C)C)C(C)C,LOQRXLBIFUQPOA-UHFFFAOYSA-N
-rxn:4:174528:222639,COc1ccc(C)c(-c2c(C(C)C)cc(C(C)C)cc2C(C)C)c1-c1ccc([C@H](C)NC(=O)OC(C)(C)C)cc1,DBCKNTAEQQPGOR-VWLOTQADSA-N
-rxn:4:174656:222635,CC(C)[Si](C#Cc1cccc2cccc(-c3cccc([C@H](C)NC(=O)OC(C)(C)C)c3)c12)(C(C)C)C(C)C,OVNIJBFRFZCARM-SANMLTNESA-N
-rxn:4:174990:223559,COC(=O)Cc1cc(OC)cc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)c1,NWNCNPDDOLLYRJ-UHFFFAOYSA-N
-rxn:4:175039:223712,COC(=O)C(C)Oc1ccc(F)cc1-c1ccc(OC)c(C23CC4CC(CC(C4)C2)C3)c1,DSYGUENNESZMSY-UHFFFAOYSA-N
-rxn:4:175341:223598,COC(=O)C(c1cc(-c2ccc(OCCN3CCC4(CC3)OCCO4)c(F)c2)ccc1F)C1CC1,AEUNOCXOHRLQLK-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:4:175800:223695,COC(=O)c1cc(-c2ccc(C(F)(F)F)cc2)ccc1-c1cccc(S(=O)(=O)N2CCC3(CC2)OCCO3)c1,YUJADXHCZYEBOX-UHFFFAOYSA-N
-rxn:4:175852:223689,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(Cl)cc3C=Cc3ccccc3OC(C)=O)ccc2OC)CC1,YFZBNHCGDVZSJO-UHFFFAOYSA-N
-rxn:4:176322:225926,CCC1(CC)CC(C)(C)c2c1cc1c(c2-c2ccc(S(=O)(=O)N3CCC3)cc2)C(C)(C)CC1(CC)CC,ISKRVUNZFZQMBW-UHFFFAOYSA-N
-rxn:4:176322:226548,CCC1(CC)CC(C)(C)c2c1cc1c(c2-c2ccc(CC(=O)OC)cc2Cl)C(C)(C)CC1(CC)CC,UWNUSABDQUZSFH-UHFFFAOYSA-N
-rxn:4:176789:223597,CCOS(=O)(=O)c1cccc(-c2ccc(OCCN3CCC4(CC3)OCCO4)c(Cl)c2)c1,AQIRRYHZVDCECI-UHFFFAOYSA-N
-rxn:4:177891:223557,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccccc3C(=O)SC3CS(=O)(=O)CC3Cl)c(F)ccc21,BEFCYOBTVJOOJJ-UHFFFAOYSA-N
-rxn:4:178121:223901,CC1CCN(CCOc2ccc(-c3c(Cl)cccc3OCC3CCOCC3)cc2Cl)CC1,RZENZLSLHPEQMK-UHFFFAOYSA-N
-rxn:4:178292:225279,COC(=O)C1(c2cccc(-c3c(C)nn(C(=O)OC(C)(C)C)c3C)c2)CCC(=O)CC1,VNVUZTKDNAZIJL-UHFFFAOYSA-N
-rxn:4:178381:224258,CC1CCCCN1C(=O)c1ccc(-c2c(C(C)(C)C)cc(C(C)(C)C)cc2C(C)(C)C)c(Cl)c1,WTHRYJRVXBEOGP-UHFFFAOYSA-N
-rxn:4:178384:229043,Cc1ccc(Cl)cc1-c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1,XOINJRAJTFYGQQ-UHFFFAOYSA-N
-rxn:4:178588:223938,CC(C)(C)OC(=O)n1c(-c2ccc3c(c2)CCC(O[Si](C)(C)C(C)(C)C)C3)cc2cc(Cl)ccc21,FUPXAQPYHQCNFG-UHFFFAOYSA-N
-rxn:4:178597:226202,CCc1nn(C)c2cc(-c3ccc(OC(=O)C4OC5OC(C)(C)OC5C5OC(C)(C)OC45)cc3)ccc12,FOWHKZFAFASSAL-UHFFFAOYSA-N
-rxn:4:178875:223598,COC(=O)c1cc(-c2ccc(OCCN3CCC4(CC3)OCCO4)c(F)c2)c(F)cc1Cl,UUQXIYFKAAQLIP-UHFFFAOYSA-N
-rxn:4:179441:223559,COC(=O)c1cc(F)c(C)cc1-c1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)OC(C)(C)C,KUEJYPXPCPEWQQ-UHFFFAOYSA-N
-rxn:4:179546:223499,CCOc1cc(Cl)c(-c2ccc(Cl)c(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1C,RAZDZYMEMXCKSE-UHFFFAOYSA-N
-rxn:4:179723:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3c(C)ccc(C(=O)C(F)F)c3C)cc21,DWKHAINWQLCLFB-UHFFFAOYSA-N
-rxn:4:180529:223790,CC(C)(C)OC(=O)N1CCCC1c1cncc(-c2cc([Si](C)(C)C)cc([Si](C)(C)C)c2)c1,WOZPDMZHODFWCT-UHFFFAOYSA-N
-rxn:4:180749:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cc4c(cc3C(=O)c3ccc(Cl)cc3)OCCO4)ccn2)CC1,QKMVIVPXGGEZES-UHFFFAOYSA-N
-rxn:4:181954:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3cccc(C4COCCC4=O)c3)c2)CC1,WVYXKQMKSAAYKH-UHFFFAOYSA-N
-rxn:4:182210:223499,CCC1Oc2ccc(-c3ccc(Cl)c(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c3)cc2C1=O,CYUIGXWBCMSITO-UHFFFAOYSA-N
-rxn:4:182374:222523,CC(=O)c1cc2c(cc1-c1ccc(S(=O)(=O)NC(C)(C)C)cc1C(F)(F)F)C(C)(C)CCC2(C)C,DGGPSRGWKFWSBU-UHFFFAOYSA-N
-rxn:4:182374:224423,CCC[C@H]1CC[C@H](c2ccc(-c3cc4c(cc3C(C)=O)C(C)(C)CCC4(C)C)cc2)CC1,FSPJMIZAPOYBOR-YHBQERECSA-N
-rxn:4:183273:225455,Cc1ccc(N2CCCCC2)cc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,VUKKDQWRZSLKOG-UHFFFAOYSA-N
-rxn:4:183273:228277,COc1ccc(F)c(C)c1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,COAREGAUJLAZCY-UHFFFAOYSA-N
-rxn:4:183273:229329,Clc1ncc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)s1,XEQWDIWHELRRQX-UHFFFAOYSA-N
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-rxn:4:185648:225937,CC(C)c1cnc(C(F)(F)F)cc1-c1ccc(S(=O)(=O)N(C(=O)C2CCCCC2)c2ccc3oc4c(c3c2)CCCC4)cc1,VWMVSVVDKNLBEA-UHFFFAOYSA-N
-rxn:4:185648:228005,CSc1cc(C)c(-c2ccc(S(=O)(=O)N(C(=O)C3CCCCC3)c3ccc4oc5c(c4c3)CCCC5)cc2)cc1C,LLVYBQKLNOIOGR-UHFFFAOYSA-N
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-rxn:4:186684:223992,Cc1ccc(-c2ccc(OCC(=O)N3CCCC3)cc2)cc1S(=O)(=O)N1CCN(C)CC1,KMZBNPPRASNDMM-UHFFFAOYSA-N
-rxn:4:186736:224251,COC(=O)c1ccc(-c2ccc(C(=O)N3CCCC(C)C3)cc2F)c(CN2CC(F)(F)C2)c1,OLGHRBSTFIVGHT-UHFFFAOYSA-N
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-rxn:4:186977:224588,CC1CCN(Cc2cc(F)cc(-c3ccc(OCCN4CCC(=O)CC4)c(F)c3)c2)CC1,FARKVTRAOSAESZ-UHFFFAOYSA-N
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-rxn:4:187148:226611,CCc1ccc(C(F)(F)F)cc1-c1ccc(CC(=O)N2CCCC(C(F)(F)F)C2)cc1F,MBRPKYLOGIPTAP-UHFFFAOYSA-N
-rxn:4:187162:223670,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2ccc(C(=O)CC3SC(=O)N(c4ccccc4)C3=O)cc2)CC1,XSCFOAXBQWOUIW-UHFFFAOYSA-N
-rxn:4:187170:223947,CCN(C(=O)OC(C)(C)C)c1ccc(-c2ccc(N(C(C)C)C(C)C)cc2OC)c(F)c1,BTKAKPJAWDXIOJ-UHFFFAOYSA-N
-rxn:4:187197:223840,COC(=O)c1ccc(-c2ccc(OC)c(S(=O)(=O)N3CCN(C)CC3)c2)cc1CN1CCCCC1,JSWOIDAEIPMQJC-UHFFFAOYSA-N
-rxn:4:187209:223842,COC(=O)C1CCN(Cc2ccc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCC(C)CC3)cc2F)CC1,BBSIJHRSFXDOKQ-UHFFFAOYSA-N
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-rxn:4:187287:223567,Cc1cccc(C(=O)N(C(C)C)C(C)C)c1-c1cc2cc(OC(C)C)ccc2n1C(=O)OC(C)(C)C,ABUULMRMHKWZJF-UHFFFAOYSA-N
-rxn:4:187303:223831,COc1ccc(-c2ccc(F)cc2CCN2CCC(OC)CC2)cc1S(=O)(=O)N1CCC(C)CC1,GQQAILDWTOUDOP-UHFFFAOYSA-N
-rxn:4:187311:224318,CC1CCCN(CCOc2c(F)cc(Cl)cc2-c2ccc(C(=O)N3CCN(C)CC3)c(F)c2)C1,TWGFTEMAQPYAAA-UHFFFAOYSA-N
-rxn:4:187311:224593,CC1CCN(Cc2cc(-c3cc(Cl)cc(F)c3OCCN3CCCC(C)C3)ccc2F)CC1,PHOMRJYUCVDTNT-UHFFFAOYSA-N
-rxn:4:187349:223568,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(Cl)c(-c3ccccc3S(=O)(=O)N3CC(S(=O)(=O)c4ccc(F)cc4)C3)cnc21,ZNJLCYKHGFMPFJ-UHFFFAOYSA-N
-rxn:4:187374:223897,Cc1ccc(-c2cccc(S(=O)(=O)CC(=O)N3CCC(C)CC3)c2)cc1OCCCN1CCOCC1,TUDYYHPUGFFDQO-UHFFFAOYSA-N
-rxn:4:187378:222864,CC1CCCN(C(=O)CS(=O)(=O)c2ccccc2-c2ccc(OCCNC(C)C)c(F)c2)C1,UFHSPNBYEKOUSY-UHFFFAOYSA-N
-rxn:4:187430:224481,COC(=O)c1cc(CN2CCCC(C)C2)cc(-c2ccc(OCCCN3CCCC3)cc2)c1,YPQQDFBSAPTQII-UHFFFAOYSA-N
-rxn:4:187434:223998,COC(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCC(C)CC3)c(F)c2)c(CN2CCCCC2C)c1,DIGXWKKSVFTVGN-UHFFFAOYSA-N
-rxn:4:187440:224719,CC(C)c1nn(C(=O)OC(C)(C)C)cc1-c1coc(C2CCCN(C(=O)OC(C)(C)C)C2)c1,YRGQXSWJJBGMHY-UHFFFAOYSA-N
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-rxn:4:187499:224009,COc1ccc(-c2cc(OC)c(C(=O)N3CCCC(C)C3)c(OC)c2)cc1S(=O)(=O)N1CCOCC1,OKDZUQJHOIOMBD-UHFFFAOYSA-N
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-rxn:4:187505:225613,CC(C)(C)OC(=O)N1CCOC(c2ccc(-c3ccnc(OC4CCCCC4)c3)cc2Cl)C1,UDVMLUCIGGUZOL-UHFFFAOYSA-N
-rxn:4:187557:223591,CC(C)(C)OC(=O)N1CCN(c2ccc(F)c(-c3ccc([C@H]4CCCC(=O)N4C(=O)OC(C)(C)C)cc3)c2)CC1,QBPXKCNQERQUSD-AREMUKBSSA-N
-rxn:4:187561:226032,COc1cc(-c2ccc(Cl)c(C(=O)N3CCC(S(=O)(=O)C(C)(C)C)C3)c2)c(F)c(C(F)(F)F)c1,HROJMCQJWZLJBM-UHFFFAOYSA-N
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-rxn:4:187581:223636,CC1CN(C(=O)OC(C)(C)C)CCC1c1cc(-c2ccc(C3CCCN(C(=O)OC(C)(C)C)C3)cc2)co1,RJLNXWXIONAEDV-UHFFFAOYSA-N
-rxn:4:187590:226488,CC(C)(C)OC(=O)N1CCCC(c2ccc(-c3ccc(OCCCF)c(F)c3)c(F)c2)C1,XTJFKHVDOPHKJY-UHFFFAOYSA-N
-rxn:4:187592:225584,CC(C)(C)OC(=O)N1CCC(c2ccc(F)c(-c3ccc(C(=O)N4CCCC4)cc3)c2)CC1,MQOPDCSLPZDOQW-UHFFFAOYSA-N
-rxn:4:187594:226560,CCOc1cc(F)c(-c2cc(F)cc(C3CCCN(C(=O)OC(C)(C)C)C3)c2)cc1OC,PMGAUBMGJMRWJW-UHFFFAOYSA-N
-rxn:4:187625:223897,Cc1ccc(-c2cccc(OC(C)C)c2CN2CCC(C)CC2)cc1OCCCN1CCOCC1,OVYUUQGAEWKOEF-UHFFFAOYSA-N
-rxn:4:187632:222945,CC(C)NS(=O)(=O)c1ccc(-c2ccc(C3(C)CN(C(=O)OC(C)(C)C)CCO3)cc2)cc1F,ANAUIWUJFPSQPG-UHFFFAOYSA-N
-rxn:4:187660:224670,Cc1ccc(-c2cc(CN3CCN(C)CC3)ccc2F)c(C2CCCN(C(=O)OC(C)(C)C)C2)c1,WPPCERVFELQTLG-UHFFFAOYSA-N
-rxn:4:187665:225521,CCCCOc1cc(-c2cccc(C3CCN(C(=O)OC(C)(C)C)CC3C)c2)ccc1OC,WWVYQNNHEKRMKS-UHFFFAOYSA-N
-rxn:4:187670:222791,CC1CN(C(=O)OC(C)(C)C)CCC1c1cc(Cl)cc(-c2cc(NC(=O)OC(C)(C)C)ccc2Cl)c1,BTCNBEXZPHGOAP-UHFFFAOYSA-N
-rxn:4:187681:223880,Cc1cc(-c2cc3cc(C)ccc3n2C(=O)OC(C)(C)C)cc(C2CCN(C(=O)OC(C)(C)C)CC2C)c1,YJNMTQFZBWAGRX-UHFFFAOYSA-N
-rxn:4:187681:226716,Cc1cc(-c2ccn(C(=O)OC(C)(C)C)n2)cc(C2CCN(C(=O)OC(C)(C)C)CC2C)c1,NJIJZPIGBSCRAQ-UHFFFAOYSA-N
-rxn:4:187968:222635,CC(C)[Si](C(C)C)(C(C)C)n1ccc2cc(-c3cccc([C@H](C)NC(=O)OC(C)(C)C)c3)ccc21,FPABRKUNFWZILG-QHCPKHFHSA-N
-rxn:4:187970:224280,CC(C)[Si](C(C)C)(C(C)C)n1cc(-c2cc3c(s2)CCN(C(=O)OC(C)(C)C)C3)c2ccccc21,AARUFDDEWQUZDB-UHFFFAOYSA-N
-rxn:4:188672:223559,CONS(=O)(=O)c1cc(F)c(F)cc1-c1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)OC(C)(C)C,LTPQNDOCRLOZPF-UHFFFAOYSA-N
-rxn:4:188930:222605,COC(=O)c1cc(S(N)(=O)=O)c(-c2cc(S(=O)(=O)NC3CCCC3)ccc2OC)cc1Cl,KSILGXJEBDNAGU-UHFFFAOYSA-N
-rxn:4:188932:223743,COC(=O)c1cc(Cl)c(S(N)(=O)=O)c(-c2ccc(C)c(OCCCN3CCC(C)CC3)c2)c1,BHTIQEDJUQHFKI-UHFFFAOYSA-N
-rxn:4:189357:222522,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccc(OC)c(S(=O)(=O)N3CCC(O)CC3)c2)cc1C,WCBGTMBYWLEKNG-UHFFFAOYSA-N
-rxn:4:189678:223493,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccc(C(=O)N(C)C2CCCC2F)o1,CMKCJSRDFGWNHK-UHFFFAOYSA-N
-rxn:4:189712:222638,CC(NC(=O)OC(C)(C)C)c1cccc(-c2cc(C(C)(F)F)cc(S(=O)(=O)N(C)C)c2)c1,FXCXJBQXDRSJPJ-UHFFFAOYSA-N
-rxn:4:189867:224321,CC1CCN(S(=O)(=O)c2cccc(-c3ccc(S(=O)(=O)N4CCCC4)cc3C(F)(F)F)c2)CC1,OUGCHKPUBVGHGN-UHFFFAOYSA-N
-rxn:4:189973:222891,COc1cc(-c2cc(C(F)(F)F)cc(S(=O)(=O)N3CCOCC3)c2)cc(C2CCNCC2)n1,HFPVQYCGVLJAPH-UHFFFAOYSA-N
-rxn:4:189992:223977,CN(C(C)(C)C)S(=O)(=O)c1ccc(-c2cc(C(F)(F)F)ccc2C(=O)OC(C)(C)C)cc1,JPCQVASPAWOOMA-UHFFFAOYSA-N
-rxn:4:190072:223069,CCCS(=O)(=O)Nc1cccc(-c2ccc(Cl)c(C(=O)N3CCCCC3C(F)(F)F)c2)c1,LHAAWDKHJMADQP-UHFFFAOYSA-N
-rxn:4:190109:224248,COC(=O)c1ccc(N2CCCCC2)c(-c2ccc(C(=O)N3CCC(C)CC3)c(Cl)c2)c1,ITGQKWWRYWDBEX-UHFFFAOYSA-N
-rxn:4:190111:222538,CCS(=O)(=O)N1CCCC1c1ccc(-c2cc(C3CCCC3)nc(C3CCNCC3)c2)cc1,JAKGXGMNHNGKPR-UHFFFAOYSA-N
-rxn:4:190111:222628,CCS(=O)(=O)N1CCCC1c1ccc(-c2cc(C3CCC3)nc(C3CCCNC3)c2)cc1,IJRKGRQSCIZSMU-UHFFFAOYSA-N
-rxn:4:190111:222630,CCS(=O)(=O)N1CCCC1c1ccc(-c2cc(C3CCC3)nc(C3CCNCC3)c2)cc1,AORDTDWNSCWAEA-UHFFFAOYSA-N
-rxn:4:190116:224326,CCc1cc(-c2ccc(S(=O)(=O)N3CCCCC3)c(C)c2)ccc1S(=O)(=O)N1CCCC1,RTWZWAYWBYVYTE-UHFFFAOYSA-N
-rxn:4:190213:224761,COc1ccc(S(=O)(=O)N2CCCCC2)cc1-c1cccc(S(=O)(=O)N2CCCCC2)c1,HNXKWQYNEUWAQZ-UHFFFAOYSA-N
-rxn:4:190274:224319,COc1cc(S(=O)(=O)N2CCOCC2)c(C)cc1-c1ccc(S(=O)(=O)N2CCCCC2)cc1C,QOQXHGBDXVUMAJ-UHFFFAOYSA-N
-rxn:4:190319:224482,CN(C1CCCCC1)S(=O)(=O)c1ccc(-c2cccc(OCCCN3CCCC3)c2)cc1,DRBKFDOZMCEEQO-UHFFFAOYSA-N
-rxn:4:190322:222538,CCS(=O)(=O)N1CCC(c2ccc(-c3cc(C4CCCC4)nc(C4CCNCC4)c3)cc2)CC1,BKCGWSLKARHSIP-UHFFFAOYSA-N
-rxn:4:190322:222630,CCS(=O)(=O)N1CCC(c2ccc(-c3cc(C4CCC4)nc(C4CCNCC4)c3)cc2)CC1,KMJFHHHQQJKJTN-UHFFFAOYSA-N
-rxn:4:190335:225341,CCOc1ccc(OC(F)(F)F)c(-c2cc(C(=O)N3CCCCC3C)cc(Cl)c2OC)c1,BPBDOHHDBLGGFA-UHFFFAOYSA-N
-rxn:4:190354:224076,Cc1cc(-c2ccc3c(ccn3[Si](C)(C)C(C)(C)C)c2)cc(S(=O)(=O)N2CCC(C(F)(F)F)CC2)c1,IUHYOSQMPYHHHQ-UHFFFAOYSA-N
-rxn:4:190355:222699,CC1CCN(S(=O)(=O)c2cc(-c3ccc(C4CCCNC4)c(C(F)(F)F)c3)cc(C(F)(F)F)c2)CC1,ZYPNZQMFYJGALB-UHFFFAOYSA-N
-rxn:4:190355:225048,Cc1cc(N2CCN(C)CC2)ccc1-c1cc(C(F)(F)F)cc(S(=O)(=O)N2CCC(C)CC2)c1,RSEGWNARLZJXCG-UHFFFAOYSA-N
-rxn:4:190375:224291,COc1ccc(-c2ccc(OCCN3CCOCC3)c(F)c2)cc1S(=O)(=O)N1CCCC(C)C1,LIESRSBBLNBCDA-UHFFFAOYSA-N
-rxn:4:190381:224971,COC1CCCN(S(=O)(=O)c2cc(C)cc(-c3ccc(CN4CCN(C)CC4)cc3)c2)C1,OYCIBIXIXIMKCH-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:4:190448:224075,Cc1cccc(N2CCCC(C(=O)C(C)C)C2=O)c1-c1ccc2ccn([Si](C)(C)C(C)(C)C)c2c1,FKONIKKNMBORBP-UHFFFAOYSA-N
-rxn:4:190496:223842,CC1CCN(Cc2cc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCC(C)CC3)cc(C(C)(C)C)c2)CC1,BXKBEFVTYWIZAV-UHFFFAOYSA-N
-rxn:4:190823:222825,CC(C)(C)NS(=O)(=O)c1ccc(Cl)cc1-c1ccc2c(c1)CN(C(=O)OC(C)(C)C)C2=O,VXOQARKXDRCIHA-UHFFFAOYSA-N
-rxn:4:190848:223998,CC1CCN(S(=O)(=O)c2ccc(-c3ccc4c(c3)CCC4(C#N)O[Si](C)(C)C)cc2F)CC1,FLXFWNGOYBBORW-UHFFFAOYSA-N
-rxn:4:190865:224060,COc1c(C(C)(C)C)cc(-c2ccc3c(c2)C(=O)C(=O)N3CC(=O)C(C)(C)C)cc1C(C)(C)C,QHYMHGPGVJEZBC-UHFFFAOYSA-N
-rxn:4:190888:222523,Cc1ccc2c(c1)c(-c1ccc(S(=O)(=O)NC(C)(C)C)cc1C(F)(F)F)cn2C(=O)OC(C)(C)C,RBOJTCCLJRPPKZ-UHFFFAOYSA-N
-rxn:4:190899:222638,CC(NC(=O)OC(C)(C)C)c1cccc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CCO3)c1,ZKAZWEKRLCZVAG-UHFFFAOYSA-N
-rxn:4:190929:222639,C[C@H](NC(=O)OC(C)(C)C)c1ccc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3=O)cc1,IVSDHVQOEKANOM-KRWDZBQOSA-N
-rxn:4:190932:222637,CC(NC(=O)OC(C)(C)C)c1ccc(-c2ccc3c(c2)C(=O)CN(C(=O)OC(C)(C)C)C3)cc1,VRIIIMBDWSGTHC-UHFFFAOYSA-N
-rxn:4:190964:224420,Cc1cc2c(cc1-c1cc(F)c3c(c1)CCN(C(=O)OC(C)(C)C)C3)C(C)(C)CCC2(C)C,BVFUZDQAYYSLJE-UHFFFAOYSA-N
-rxn:4:191008:223093,CC(C)S(=O)(=O)Nc1cncc(-c2ccc3c(c2)C(=O)N(C(=O)OC(C)(C)C)C3(C)C)c1,NMHGGXZPKCCLTN-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:4:191041:225343,CC(C)Sc1ncc(C(F)(F)F)cc1-c1cccc(C(=O)N2C3CCC2CC(S(C)(=O)=O)C3)c1,GZMOBFMPEHWGRC-UHFFFAOYSA-N
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-rxn:4:199846:222718,CCOc1ccc(-c2cc(S(=O)(=O)N3CCNCC3)ccc2C)cc1S(=O)(=O)N1CCN(c2ccccc2OC)CC1,POEOTKMKJRIOGE-UHFFFAOYSA-N
-rxn:4:199847:226177,CCOc1ccccc1N1CCN(S(=O)(=O)c2ccc(-c3ccnc(C4CCCCC4)c3)c(OC)c2)CC1,LXOBAYNOJINTTB-UHFFFAOYSA-N
-rxn:4:199860:224406,CCCOc1cc(S(=O)(=O)N2CCN(c3ccc(C)cc3)CC2)ccc1-c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1,MRUBDEIILUNCTH-UHFFFAOYSA-N
-rxn:4:199865:225093,CCCOc1c(Cl)cc(-c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)C[C@@H]3c3ccc(Cl)cc3)cc2)cc1OCC,PISVNXDFLOZFLK-MUUNZHRXSA-N
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-rxn:4:199891:222912,CC(C)CNS(=O)(=O)c1ccc(-c2cccc3c2c(C(=O)CC#N)cn3C(=O)OC(C)(C)C)cc1,SCIBJLYDFVKFOL-UHFFFAOYSA-N
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-rxn:4:202328:227835,COC1CCN(C2CCN(S(=O)(=O)c3ccccc3-c3ccc(C)c(C4CC4)c3)CC2)CC1,BIRXQFGFARYUJT-UHFFFAOYSA-N
-rxn:4:202330:223508,COc1ccc(-c2ccc(N3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)nc2)cc1S(=O)(=O)N1CCN(c2cccc(C)c2C)CC1,NGCRRVOIESPLBH-UHFFFAOYSA-N
-rxn:4:202344:223062,COc1cc(S(=O)(=O)N2CCN(c3c(C)cc(C)cc3C)CC2)ccc1-c1cnc(C2CCNCC2)cc1F,PQRNDUZRWGBEHE-UHFFFAOYSA-N
-rxn:4:202344:226437,COc1cc(S(=O)(=O)N2CCN(c3c(C)cc(C)cc3C)CC2)ccc1-c1cc(C2CCCC2)ncc1F,LHONGTLUNIBKHZ-UHFFFAOYSA-N
-rxn:4:202355:224393,CCc1ccccc1N1CCN(S(=O)(=O)c2c(C)cc(C)c(-c3cc(C(F)(F)F)ccc3N3CCOCC3)c2C)CC1,XIJSCKRZBQUJLO-UHFFFAOYSA-N
-rxn:4:202458:223570,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3cc4c(C(F)F)cn(C(=O)OC(C)(C)C)c4cn3)c(F)ncc21,GHSSAIDDJCXLPL-UHFFFAOYSA-N
-rxn:4:202458:223948,COC(=O)c1cc(C(=O)OC(C)(C)C)cc(-c2cc3c(C(F)F)cn(C(=O)OC(C)(C)C)c3cn2)c1,WGNSWFGTENVHBB-UHFFFAOYSA-N
-rxn:4:202467:223898,COc1cc(-c2ccc(N(C(=O)OC(C)(C)C)C(C)C)cc2)cc2c1cnn2C(=O)OC(C)(C)C,OZHQDOPHSMYAJA-UHFFFAOYSA-N
-rxn:4:202518:222879,CC(C)[C@H]1c2nc(-c3c(Cl)cccc3NC(=O)C(C)(C)C)sc2CN1C(=O)OC(C)(C)C,FZSIJIVHHABJEA-IBGZPJMESA-N
-rxn:4:202518:224842,CC(C)[C@H]1c2nc(-c3ccc4c(c3)C(C)(C)CCC4(C)C)sc2CN1C(=O)OC(C)(C)C,LYXSNIFKPBDCIT-QFIPXVFZSA-N
-rxn:4:202561:223568,COC(=O)CN1C(C)=Nc2ccc(-c3cnc4c(ccn4[Si](C(C)C)(C(C)C)C(C)C)c3Cl)cc2C1c1ccccc1,LXXDXCDKANSVHK-UHFFFAOYSA-N
-rxn:4:202564:223651,Cc1nc(C2CCN(C(=O)OC(C)(C)C)C2)ccc1-c1ccc2c(c1)C(=O)N(C1CN(C(=O)OC(C)(C)C)C1)C2=O,DJMDLUGLFWFKBA-UHFFFAOYSA-N
-rxn:4:202593:224670,CN1CCN(Cc2ccc(F)c(-c3ccc4ccc(C5CN(C(=O)OC(C)(C)C)C5)nc4c3)c2)CC1,PTUOMQHCNWKXKS-UHFFFAOYSA-N
-rxn:4:202620:222636,C[C@@H](NC(=O)OC(C)(C)C)c1ccc(-c2ccc3c(C(C)(C)C)nn(C(=O)OC(C)(C)C)c3c2)cc1,JXRUXKYOSILMBD-GOSISDBHSA-N
-rxn:4:202620:223582,COC(=O)c1ccc2cc(-c3ccc4c(C(C)(C)C)nn(C(=O)OC(C)(C)C)c4c3)n(C(=O)OC(C)(C)C)c2c1,BHQXGQUFSLINHP-UHFFFAOYSA-N
-rxn:4:202640:223835,Cc1cc(F)c(-c2cccnc2OC2CCN(S(=O)(=O)c3ccc4ccccc4c3)C2)cc1S(=O)(=O)N1CCC(C)CC1,GBJNWEMPGMKAJC-UHFFFAOYSA-N
-rxn:4:202680:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2cnc3c(ccn3[Si](C(C)C)(C(C)C)C(C)C)c2Cl)cc1,AXTYSXIVZJLOOQ-UHFFFAOYSA-N
-rxn:4:202714:222852,CC(C)(C)OC(=O)N1CCCC(c2cncc3ccc(-c4cccc(CN5CCC(O)CC5)c4)cc23)C1,TYENGTHPRRCDPO-UHFFFAOYSA-N
-rxn:4:202726:222426,CC(C)(C)OC(=O)N1CCC(N2CCc3cc(-c4ccc5c(c4)C4(CCN(C(=O)OC(C)(C)C)CC4)C(=O)N5)ccc32)CC1,QVIUNQAZIUNRET-UHFFFAOYSA-N
-rxn:4:202726:223636,CC(C)(C)OC(=O)N1CCC(N2CCc3cc(-c4ccc(C5CCCN(C(=O)OC(C)(C)C)C5)cc4)ccc32)CC1,VODQKQWMOKTXLC-UHFFFAOYSA-N
-rxn:4:202726:223883,CC(C)(C)OC(=O)N1CCC(N2CCc3cc(-c4ccc5c(c4)CCCN5C(=O)OC(C)(C)C)ccc32)CC1,MRXXRVCKSDAHTK-UHFFFAOYSA-N
-rxn:4:202788:223504,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc(-n4c(SCc5ccccc5Cl)nc5sc6c(c5c4=O)CCCC6)cc3)cc2[N+](=O)[O-])CC1,PIUCUOXFGXCSPP-UHFFFAOYSA-N
-rxn:4:202807:225048,Cc1cc(N2CCN(C)CC2)ccc1-c1ccc(Sc2c(C)nn(C(=O)C34CC5CC(CC(C5)C3)C4)c2C)cc1,AQHMMUWYWVZKPE-UHFFFAOYSA-N
-rxn:4:202807:225581,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2ccc(CN3CCOCC3)cc2)cc1,IMOQEXDFPMOFNC-UHFFFAOYSA-N
-rxn:4:202974:223534,COC(=O)C(=O)c1nn(C)cc1-c1cc(OC2CCN(C(=O)OC(C)(C)C)CC2)ncc1F,GKPFYRMGOODCOR-UHFFFAOYSA-N
-rxn:4:203443:223636,COC(=O)C(C)n1nc(C)c(-c2ccc(C3CCCN(C(=O)OC(C)(C)C)C3)cc2)c1C,PZCFNCBAGCGKTA-UHFFFAOYSA-N
-rxn:4:203630:223602,CCCc1nc(N2CCOCC2)sc1-c1ccnc(N2CCN(C(=O)OC(C)(C)C)CC2)c1Cl,NFULTZUAPBHCNN-UHFFFAOYSA-N
-rxn:4:203643:222426,CC(=O)C1CCN(C(=O)c2cncc(-c3ccc4c(c3)C3(CCN(C(=O)OC(C)(C)C)CC3)C(=O)N4)c2)C1,WFKQZDOFGHWACI-UHFFFAOYSA-N
-rxn:4:203775:223658,COC1CCN(S(=O)(=O)c2cncc(-c3ccc(S(=O)(=O)N4CCOCC4)c4ccccc34)c2)CC1,HNMOZXJOGAKBKL-UHFFFAOYSA-N
-rxn:4:203878:222645,CC1CCN(Cc2cc([N+](=O)[O-])ccc2-c2cccc(OCCN3CCC(O)CC3)c2)CC1,VYLYEWKNCMVIIP-UHFFFAOYSA-N
-rxn:4:203887:222630,CCS(=O)(=O)N1CCN(c2ccc(-c3cc(C4CCC4)nc(C4CCNCC4)c3)cc2)CC1,IMHRUGZYFRHYMF-UHFFFAOYSA-N
-rxn:4:203895:222742,CCS(=O)(=O)N1CCN(c2ccccc2-c2cc(C3CCNCC3)nc(C3CC3)c2)CC1,VVLYLUMYUKBJFX-UHFFFAOYSA-N
-rxn:4:203934:224404,COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1ccc(S(=O)(=O)N2CCOCC2)c(F)c1,CHFNWNCHHAHOGY-UHFFFAOYSA-N
-rxn:4:203952:224256,CC(=O)N1CCCC(Cc2cncc(-c3ccc(Cl)c(C(=O)N4CCCCC4C)c3)c2)CC1,XGDHCESCHOHVTM-UHFFFAOYSA-N
-rxn:4:204013:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3ccccc3S(=O)(=O)N3CCC(N(C)C)CC3)cc2)CC1,QIGLVEKLAVEVFY-UHFFFAOYSA-N
-rxn:4:204014:222853,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3ccc(CN4CCC(O)CC4)cc3)c2)CC1,HMYZPQYGPYTOOB-UHFFFAOYSA-N
-rxn:4:204015:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3ccc(C)c(S(=O)(=O)N4CCN(CC)CC4)c3)c2)CC1,KYROBHGUHAGHHY-UHFFFAOYSA-N
-rxn:4:204018:224188,CC(C)N(C(=O)c1ccc(-c2ccc(CN3CCN(S(C)(=O)=O)C(C)C3)cc2)c(Cl)c1)C(C)C,UMWVNANKWTYHLP-UHFFFAOYSA-N
-rxn:4:204059:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3ccc(S(=O)(=O)N4CCN(c5ccccc5Cl)CC4)cc3)c2)CC1,MLLNLDLERVSYSN-UHFFFAOYSA-N
-rxn:4:204063:222829,CNS(=O)(=O)c1ccc(-c2ccc(C(=O)N3CCN(C(C)C)CC3)cc2C)c(C(F)(F)F)c1,NHPIONPXVHPALZ-UHFFFAOYSA-N
-rxn:4:204096:224022,CC(C)N1CCN(C(C)c2cccc(-c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)c2)CC1,SDVJEFKCUCAIOW-UHFFFAOYSA-N
-rxn:4:204108:224250,CC1CCCCN1C(=O)c1ccc(F)c(-c2cncc(C(=O)N3CCC(c4ccccc4)S(=O)(=O)CC3)c2)c1,LSYNCSTVQCTIOH-UHFFFAOYSA-N
-rxn:4:204116:226231,CCCCOc1ncc(-c2cccc(C(=O)N3CCCN(C4CCOC4)CC3)c2)cc1C,MYBKJIGCPVJGSI-UHFFFAOYSA-N
-rxn:4:204122:222538,Cc1ccc(S(=O)(=O)N2CCCCC2c2ccc(-c3cc(C4CCCC4)nc(C4CCNCC4)c3)nc2)cc1,WIMBJXHCXFXUQB-UHFFFAOYSA-N
-rxn:4:204125:222538,Cc1ccc(N2CCN(S(=O)(=O)c3ccc(-c4cc(C5CCCC5)nc(C5CCNCC5)c4)cc3)CC2)cc1Cl,OVJWJKBTLACVRE-UHFFFAOYSA-N
-rxn:4:204125:222700,Cc1ccc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C(F)(F)F)cc4C4CCCNC4)cc3)CC2)cc1Cl,QBIZAZVYPLORBT-UHFFFAOYSA-N
-rxn:4:204157:224009,COc1ccc(-c2ccc(S(=O)(=O)N3CCN(c4c(C)cccc4C)CC3)cc2)cc1S(=O)(=O)N1CCOCC1,YYGQTMVCGMNENZ-UHFFFAOYSA-N
-rxn:4:204159:225295,Cc1cc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c(C)cc1-c1ccccc1S(=O)(=O)N1CCCC1,GPHRGDGSALSARU-UHFFFAOYSA-N
-rxn:4:204169:223186,CC1CN(Cc2ccc(-c3cnn(C4CCCCO4)c3)cc2N2CCCCC2)CCO1,HUEXTFLEAWOIID-UHFFFAOYSA-N
-rxn:4:204180:225304,Cc1ccc(N2CCN(S(=O)(=O)c3cc(-c4cc(C(F)(F)F)cnc4C(C)(C)C)c(C)cc3C)CC2)c(C)c1,HXYHFAJYAJITKY-UHFFFAOYSA-N
-rxn:4:204183:224015,Cc1ccc(N2CCN(S(=O)(=O)c3cc(C)c(C)cc3-c3cc(S(=O)(=O)N4CCOCC4)c(C)cc3F)CC2)c(C)c1,GCSDJAHXFANJMM-UHFFFAOYSA-N
-rxn:4:204183:225875,Cc1ccc(N2CCN(S(=O)(=O)c3cc(C)c(C)cc3-c3ccc(N4CCOCC4)cc3Cl)CC2)c(C)c1,IEHDRIUHWRYYDP-UHFFFAOYSA-N
-rxn:4:204184:224319,Cc1cc(S(=O)(=O)N2CCCCC2)ccc1-c1c(C)cc(C)c(S(=O)(=O)N2CCN(c3cccc(Cl)c3C)CC2)c1C,LHBHCRNTHANFSX-UHFFFAOYSA-N
-rxn:4:204205:223645,CCOC(=O)C1CCCN(C(=O)c2cccc(-c3cc(OC(F)(F)F)c4nc(C(F)(F)F)[nH]c4c3)c2)C1,ZDPSLMYTFFGXRM-UHFFFAOYSA-N
-rxn:4:204403:223813,COCn1ncc(-c2ccc(CN3CCC4(CC3)OCCO4)c(F)c2)c1C12CCCC1O2,PCAMZRBUFLIGOX-UHFFFAOYSA-N
-rxn:4:204404:223822,CCOC(=O)c1nc2n(c1-c1cc(C(F)(F)F)ccc1C(=O)OCC(C)(C)C)CCCC2,WGVANYUFKALMFT-UHFFFAOYSA-N
-rxn:4:204417:222639,C[C@H](NC(=O)OC(C)(C)C)c1ccc(-c2nc3c(s2)CN(C(=O)OC(C)(C)C)C3)cc1,LBNVAIVUEIOXDI-AWEZNQCLSA-N
-rxn:4:204475:223592,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3nc(Cl)cc4ccn(C(=O)OC(C)(C)C)c34)c(Cl)c2)CC1,YGLHCOGIGICQBS-UHFFFAOYSA-N
-rxn:4:204580:222439,COC(=O)c1cc(-c2ccc(S(=O)(=O)NC3CCCCC3)cc2C(F)(F)F)c2c(c1)ncn2C1CCCC1,QFMBEUKEXVPBSR-UHFFFAOYSA-N
-rxn:4:204595:223883,CC(C)(C)OC(=O)N1CCc2nc(-c3ccc4c(c3)CCCN4C(=O)OC(C)(C)C)sc2CC1,FMYNRVXWTUQJBU-UHFFFAOYSA-N
-rxn:4:204599:223636,CC(C)(C)OC(=O)N1CCc2c(-c3ccc(C4CCCN(C(=O)OC(C)(C)C)C4)cc3)ccnc2C1,PDWAKHZJNMGEAP-UHFFFAOYSA-N
-rxn:4:204604:223939,CC(C)(C)OC(=O)N1CCc2cc(-c3ccc4c(c3)N(C(=O)OC(C)(C)C)CCO4)cnc2C1,UZVOQLVFIVCRDX-UHFFFAOYSA-N
-rxn:4:204681:222847,CC(C)(C)OC(=O)N1CC(C)(C)c2ccc(-c3cc(C#N)cc(C4CCCNC4)c3)nc21,DSLZKOMCADUVSN-UHFFFAOYSA-N
-rxn:4:204681:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc4c(n3)N(C(=O)OC(C)(C)C)CC4(C)C)cc2)CC1,PUSCWMKZSLOLOZ-UHFFFAOYSA-N
-rxn:4:204682:223743,Cc1cc2c(c(-c3ccc(C)c(OCCCN4CCC(C)CC4)c3)n1)CN(C(=O)OC(C)(C)C)CC2,CAYHZQJGLDBVSK-UHFFFAOYSA-N
-rxn:4:204722:226885,CC(C)C(=O)N=C1SC2CS(=O)(=O)CC2N1c1cccc(-c2cc(C(F)(F)F)cc(Cl)c2F)c1,BBXHGIHRWKIBBI-UHFFFAOYSA-N
-rxn:4:204740:223575,CCN1C(=O)C(=C2SC(=S)N(CC(C)C)C2=O)c2cc(-c3ccccc3CN3CCN(C(=O)OC(C)(C)C)CC3)ccc21,UXVWHLXOQBHCDY-UHFFFAOYSA-N
-rxn:4:206444:223787,CN1CCN(CCCOc2ccc(-c3cnc(C(=O)N4CCOCC4)c(Cl)c3)cc2F)CC1,JNIDGSJOIMEZMN-UHFFFAOYSA-N
-rxn:4:206449:222546,O=C(c1ncc(-c2ccc(OCCNC3CCCCC3)c(F)c2)cc1F)N1CCOCC1,MKTOKJJEGZBWGA-UHFFFAOYSA-N
-rxn:4:206522:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCSCC4)nc3)cc2)CC1,MHFBCHYEYDKTKX-UHFFFAOYSA-N
-rxn:4:206578:223822,CC(=O)N1CCCC1c1ccc(-c2cc(C(F)(F)F)ccc2C(=O)OCC(C)(C)C)nc1,KAAZMUVSKRCLAT-UHFFFAOYSA-N
-rxn:4:206697:222465,CS(=O)(=O)N1CCCC(c2ncc(-c3cc(C4CCCCC4)nc(C4CCCNC4)c3)s2)C1,PQFIJPVPWZABSR-UHFFFAOYSA-N
-rxn:4:206708:223699,O=S(=O)(c1cncc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2C(F)(F)F)c1)N1CCCCC1,JXEBDFJRVMGPCG-UHFFFAOYSA-N
-rxn:4:206709:223696,O=S(=O)(c1ccc(-c2ccc(S(=O)(=O)N3CCCCC3)nc2)cc1)N1CCC2(CC1)OCCO2,GQOSIUGDWYQYLP-UHFFFAOYSA-N
-rxn:4:206777:223785,CCN1CCN(CCOc2ccc(-c3cccc(N4CCC(OC)CC4)n3)cc2Cl)CC1,WKRBBYUHCHQSES-UHFFFAOYSA-N
-rxn:4:206870:224089,CC1CCN(CCOc2ccc(-c3ccc(C(=O)N4CCN(C)CC4)c(F)c3)cc2)CC1,DENOTMYWZURAPP-UHFFFAOYSA-N
-rxn:4:206920:223953,CCN1CCN(c2ccc(-c3cc(F)cc(N4CCN(CCOC)CC4)c3)c(Cl)c2)CC1,RWTCMJLIGCKJQF-UHFFFAOYSA-N
-rxn:4:206942:223835,CCN1CCN(c2cc(-c3cc(S(=O)(=O)N4CCC(C)CC4)c(C)cc3F)cc(F)c2F)CC1,NWYGQWZXUCMXLB-UHFFFAOYSA-N
-rxn:4:206956:224405,CN1CCN(S(=O)(=O)c2cccc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCCC3)c2)CC1,PGQGZCVMXXIPHK-UHFFFAOYSA-N
-rxn:4:207050:223953,CCN1CCN(c2cc(C)cc(-c3cc(F)cc(N4CCN(CCOC)CC4)c3)c2)CC1,BHZVJWMTTLCZHU-UHFFFAOYSA-N
-rxn:4:207052:223953,CCN1CCN(c2cccc(-c3cc(F)cc(N4CCN(CCOC)CC4)c3)c2C)CC1,WVMQDPYYRDUAEL-UHFFFAOYSA-N
-rxn:4:207060:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3ccc(S(=O)(=O)N4CCCN(C)CC4)cc3)c2)CC1,CZIDFOPLTHDAGU-UHFFFAOYSA-N
-rxn:4:207086:222890,COc1cc(-c2cc(C)c(S(=O)(=O)N3CCN(C)CC3)c(C)c2)cc(C2CCCNC2)n1,NVNURLJCPJHITA-UHFFFAOYSA-N
-rxn:4:207086:225210,Cc1cc(-c2cnc(N3CCC(C)CC3)nc2C)cc(C)c1S(=O)(=O)N1CCN(C)CC1,QUINXYLMVOIQQB-UHFFFAOYSA-N
-rxn:4:207659:223489,Cc1cc2cc(-c3ccc(S(=O)(=O)N4CCC(O[Si](C)(C)C(C)(C)C)CC4)cc3)cnc2n1S(=O)(=O)c1ccccc1,ZADVJRFYLXIPCL-UHFFFAOYSA-N
-rxn:4:207854:225671,Fc1cnc(C2CCCCC2)cc1-c1ccc2c(c1)CCN2C1CCN(C2CCC2)CC1,JMFFXJDZDFJWDD-UHFFFAOYSA-N
-rxn:4:207856:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc2c(c1)CCCC2N1CCN(C(C)C)CC1,DIHZTWJVWIHHCY-UHFFFAOYSA-N
-rxn:4:207959:225438,Cc1ccc(C2=NN3C(C2)c2cc(-c4ccc(C(C)N5CCCC5)cc4)ccc2OC3C2CCCCC2)cc1,KCCYDGVWKAQTIM-UHFFFAOYSA-N
-rxn:4:210970:223574,Cn1ncc(-c2cccc(CN3CCN(C(=O)OC(C)(C)C)CC3)c2)c1C12CC(C)(C)CC1O2,WGMRONKJHDAAOP-UHFFFAOYSA-N
-rxn:4:211032:222537,c1cc(N2CC3CCCCC3C2)ncc1-c1cc(C2CCCC2)nc(C2CCCNC2)c1,CKDYDAOOQSIHBT-UHFFFAOYSA-N
-rxn:4:211100:225684,Cc1nc(C2CCOCC2)ccc1-c1ccc2c(c1)C1CC(c3ccc(Cl)cc3)=NN1C1(CCC(C)CC1)O2,FDGWROBKHVGHEB-UHFFFAOYSA-N
-rxn:4:211101:223185,Cc1ccc(C2=NN3C(C2)c2cc(-c4cnc(C5CNCCO5)nc4)ccc2OC32CCC(C)CC2)cc1,XTLASBSOPFIDOB-UHFFFAOYSA-N
-rxn:4:211101:225830,Cc1ccc(C2=NN3C(C2)c2cc(-c4cnc(N5CCCCC5)nc4C)ccc2OC32CCC(C)CC2)cc1,HJILHFDHCDHZTQ-UHFFFAOYSA-N
-rxn:4:212532:225126,O=C(c1cccc(OC(F)(F)F)c1)N1CC(Cn2cc(-c3cc(F)ccc3OCC3CCCO3)cn2)C1,YOTRRJNJLJXROU-UHFFFAOYSA-N
-rxn:4:212541:223531,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cncc(OCC4CN(C(=O)OC(C)(C)C)C4)n3)cc2Cl)CC1,IRXUOMQVOFCMAJ-UHFFFAOYSA-N
-rxn:4:212541:224078,CC(C)(C)OC(=O)N1CC(COc2cncc(-c3cccc4c3ccn4[Si](C)(C)C(C)(C)C)n2)C1,GNROEDFYGOHFKM-UHFFFAOYSA-N
-rxn:4:212547:224318,CCOCCN1CCC(Oc2ncc(-c3ccc(C(=O)N4CCN(C)CC4)c(F)c3)cn2)CC1,YDWNXPOTHQLMRX-UHFFFAOYSA-N
-rxn:4:212587:224328,CCOc1ccc(S(=O)(=O)N2CC(Cn3cc(-c4cccc(S(=O)(=O)N5CCCCC5C)c4)cn3)C2)cc1,MRTKFBQDZWLTFL-UHFFFAOYSA-N
-rxn:4:212593:224280,CN(C(=O)c1ccc(-c2cc3c(s2)CCN(C(=O)OC(C)(C)C)C3)nc1)C1CN(C(=O)OC(C)(C)C)C1,LZNSWNJIIOZACX-UHFFFAOYSA-N
-rxn:4:212600:223972,CC1CCCCN1c1ccc(-c2cnc(OC3CCCN(C(=O)COc4ccccc4)C3)nc2)c(C(F)(F)F)c1,WTUZBZPZMIVIRP-UHFFFAOYSA-N
-rxn:4:212648:223975,Cn1cc(-c2cn(C(=O)OC(C)(C)C)c3ccc(Cl)nc23)c(OCC2CCN(C(=O)OC(C)(C)C)CC2)n1,PTCZYPPMKGMASQ-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:4:212649:227218,CCC(C)(C)C(=O)N1CCCC(COc2ncc(-c3ccccc3OCCCF)cn2)C1,WDQRYJBUIYIBJW-UHFFFAOYSA-N
-rxn:4:212658:223975,COC(=O)c1ncc(-c2cn(C(=O)OC(C)(C)C)c3ccc(Cl)nc23)cc1N1CCN(C(=O)OC(C)(C)C)CC1,KUVDJMUCPQQIOE-UHFFFAOYSA-N
-rxn:4:212658:224272,COC(=O)c1ncc(-c2cc3ccncc3n2C(=O)OC(C)(C)C)cc1N1CCN(C(=O)OC(C)(C)C)CC1,UJXHJSMRTFIHDL-UHFFFAOYSA-N
-rxn:4:212680:224713,CCCCOc1ccc(-c2cc(F)ccc2CC(=O)N2CCC(COc3ccc(C)nn3)CC2)c(C(F)(F)F)c1,OIVMNAXFQZNKRV-UHFFFAOYSA-N
-rxn:4:212680:225332,CCOc1ccc(OC(F)(F)F)cc1-c1cc(F)ccc1CC(=O)N1CCC(COc2ccc(C)nn2)CC1,WUDKTSQHHZFESJ-UHFFFAOYSA-N
-rxn:4:212691:223592,CN(C(=O)c1ccc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2Cl)nc1)C1CCN(C(=O)OC(C)(C)C)CC1,DCXRGOUSIMQCLV-UHFFFAOYSA-N
-rxn:4:212721:224082,CCC(C(=O)OC(C)(C)C)c1cccc(-c2cc(C(=O)OC(C)(C)C)cc(N3CCN(C(=O)C(C)C)CC3)n2)c1,RTKPKTPRMCESDZ-UHFFFAOYSA-N
-rxn:4:212738:223500,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc(F)c(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c3)cc2N2CCOCC2)CC1,QJWUJHSILRWVQF-UHFFFAOYSA-N
-rxn:4:212739:225969,Cn1ncc(-c2cccc(F)n2)c1-c1ccc(CN2CCN(C(=O)OC(C)(C)C)CC2)c(N2CCCCC2)c1,AFVXUSRBMVNZAO-UHFFFAOYSA-N
-rxn:4:212739:228239,COc1nc(C)c(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)c(N3CCCCC3)c2)cc1C,KORHWGVFWWMGCR-UHFFFAOYSA-N
-rxn:4:212740:229059,CC(C)(C)OC(=O)N1CCN(c2cc(CN3CCCCC3)cc(-c3cnccc3C#N)c2)CC1,HIVLUIOMGCCNJP-UHFFFAOYSA-N
-rxn:4:212744:223533,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cc(CN4CCC(F)(F)CC4)cc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)c(F)c2)CC1,IJSZMPLOPPQWOO-UHFFFAOYSA-N
-rxn:4:212823:223845,COc1ccc(S(=O)(=O)N2CCN(C(=O)Cn3ccc4cc(-c5cc(F)c(F)cc5S(=O)(=O)N5CCN(C)CC5)ccc43)CC2)cc1,NCNLGAKSCGSUSZ-UHFFFAOYSA-N
-rxn:4:212839:227413,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4cnc(C5CCC5)cc4F)ccn23)CC1,ZPXNLXDGVCCVPO-UHFFFAOYSA-N
-rxn:4:212892:222634,CC(C)(C)OC(=O)N(c1ncc(-c2ccc(OCCNC3CCCC3)c(F)c2)cn1)C1CC1,KBHUQPRNEGGHJC-UHFFFAOYSA-N
-rxn:4:212927:223508,N#Cc1nc(COc2ccc(-c3ccc(N4CCN(S(=O)(=O)c5ccc(Cl)cc5)CC4)nc3)cc2)oc1N1CCOCC1,HZWQETLQXYONFU-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:4:212970:223885,Cc1nc(OC2CN(C(=O)OC(C)(C)C)C2)ncc1-c1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2,ZAUYCBABIZHXBZ-UHFFFAOYSA-N
-rxn:4:212984:224258,CC1CCCCN1C(=O)c1ccc(-c2cnccc2OC2CCN(C(=O)c3ccc(C(F)(F)F)nc3)C2)c(Cl)c1,DETPOVHLRHNLLJ-UHFFFAOYSA-N
-rxn:4:212984:224306,O=C(c1ccc(C(F)(F)F)nc1)N1CCC(Oc2ccncc2-c2ccc(C(F)(F)F)cc2OC2CCCC2)C1,IUNMHURBHKTLDK-UHFFFAOYSA-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:4:213011:223945,CC(C)C(=O)N1CCCC(COc2ncc(-c3ccc(OCCCN4CCOCC4)c(F)c3)cn2)C1,NFLPGOYUDPUBJI-UHFFFAOYSA-N
-rxn:4:213011:224196,CCN1CCN(Cc2cc(F)cc(-c3cnc(OCC4CCCN(C(=O)C(C)C)C4)nc3)c2)CC1,REBGUQYCVNFTAK-UHFFFAOYSA-N
-rxn:4:213061:224753,Cc1ccc(S(=O)(=O)N2CCCC2)cc1-c1ccc(S(=O)(=O)N2CCC(Oc3ncccc3C#N)CC2)cc1,UYQWWSZBCDSEKT-UHFFFAOYSA-N
-rxn:4:213062:225222,CC1CCCCN1c1cc(-c2cnc(OC3CCN(C(=O)Cc4ccc(F)cc4F)CC3)nc2)c(F)cn1,IECUQYBUBYHJTQ-UHFFFAOYSA-N
-rxn:4:213072:223646,CC(C)(C)OC(=O)N1CCCC(Cn2cc(-c3ccc(OC4CCN(C(=O)OC(C)(C)C)C4)cc3)cn2)C1,UVQSCKOXWFHRDE-UHFFFAOYSA-N
-rxn:4:213072:225829,CC1CCN(c2ncc(-c3cnn(CC4CCCN(C(=O)OC(C)(C)C)C4)c3)cn2)CC1,QJNHOCKLQCJIAL-UHFFFAOYSA-N
-rxn:4:213074:223069,CCCS(=O)(=O)Nc1cccc(-c2nccn2CC2CCN(C(=O)OC(C)(C)C)CC2)c1,XLIHGHRKJANSPV-UHFFFAOYSA-N
-rxn:4:213074:223918,CN(C(=O)c1ccc(F)c(-c2nccn2CC2CCN(C(=O)OC(C)(C)C)CC2)c1)C1CCCCC1,IZKDNVAKIWDVBN-UHFFFAOYSA-N
-rxn:4:213074:226524,CCOC(=O)c1ccc(-c2nccn2CC2CCN(C(=O)OC(C)(C)C)CC2)c(F)c1,WISVCUFFIVAZFN-UHFFFAOYSA-N
-rxn:4:213080:225227,CC1CCN(c2ncc(-c3cncc(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c3)cc2Cl)CC1,ATIIKDKARVOIMJ-UHFFFAOYSA-N
-rxn:4:213097:225829,CC1CCN(c2ncc(-c3ccc(C4(C#N)CCN(C(=O)OC(C)(C)C)CC4)nc3)cn2)CC1,ZEALORFGFOWFDN-UHFFFAOYSA-N
-rxn:4:213100:222792,CC(C)(C)OC(=O)Nc1ccc(F)c(-c2cn(C3CCN(C(=O)OC(C)(C)C)CC3)nc2C(F)(F)F)c1,NZGLZQFNTSJROP-UHFFFAOYSA-N
-rxn:4:213100:223880,Cc1ccc2c(c1)cc(-c1cn(C3CCN(C(=O)OC(C)(C)C)CC3)nc1C(F)(F)F)n2C(=O)OC(C)(C)C,HAPLYCVNURGGDI-UHFFFAOYSA-N
-rxn:4:213106:223992,COc1ccc(-c2ccc(C)c(S(=O)(=O)N3CCN(C)CC3)c2)c(C(=O)N2CCCC(Oc3ccncn3)C2)c1,NUHFBEYEIKVBHG-UHFFFAOYSA-N
-rxn:4:213123:223945,O=C(Cc1ccccc1-c1ccc(OCCCN2CCOCC2)c(F)c1)N1CCN(c2ccnc(C(F)(F)F)c2)C(=O)C1,WAZQCNFWXAYEML-UHFFFAOYSA-N
-rxn:4:213125:225975,CC(C)(C)OC(=O)N1CCN(Cc2cccc(-c3ccnc(N4CCOCC4)c3Cl)n2)CC1,HUOWCFVXUBGYBD-UHFFFAOYSA-N
-rxn:4:213126:223577,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)cn3)cc2)CC1,ZKAWVWOESSVQOC-UHFFFAOYSA-N
-rxn:4:213126:224075,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc4ccn([Si](C)(C)C(C)(C)C)c4c3)nc2)CC1,QNIRSJIKOSUWJD-UHFFFAOYSA-N
-rxn:4:213127:224357,COc1nc2ccc(C(F)(F)F)cc2cc1-c1ccnc(CN2CCN(C(=O)OC(C)(C)C)CC2)c1,IGXGNSFSGVGVIY-UHFFFAOYSA-N
-rxn:4:213130:222986,Cc1cc(-c2cncc(CN3CCN(C(=O)OC(C)(C)C)CC3)c2)cc(C2CCCNC2)n1,BJOGTADRVVPGGW-UHFFFAOYSA-N
-rxn:4:213131:224759,CC(C)(C)C(=O)N1CCC(COc2ncc(-c3cc(F)cc(C(=O)N4CCOCC4)c3)cn2)CC1,CYOBBCRRJNBYJU-UHFFFAOYSA-N
-rxn:4:213132:225975,CC(C)(C)C(=O)N1CCCC(COc2ncc(-c3ccnc(N4CCOCC4)c3Cl)cn2)C1,PQJORWNISCYJAZ-UHFFFAOYSA-N
-rxn:4:213150:228172,CCOc1cccc(-c2ccc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)nc2)c1F,HEDDFMIJEMAPCA-UHFFFAOYSA-N
-rxn:4:213152:223689,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(OC)c(CN4CCC(Oc5ncc(F)cn5)CC4)c3)ccc2OC)CC1,BYHPWKKTRHIICA-UHFFFAOYSA-N
-rxn:4:213162:225348,COC(=O)c1ccc(C(F)(F)F)cc1-c1cnc(OC2CCN(S(=O)(=O)c3ccc(OC)c(F)c3)CC2)nc1,LKKLHGVUVRELRE-UHFFFAOYSA-N
-rxn:4:213196:223945,O=C(C1CCOCC1)N1CCCC(COc2ncc(-c3ccc(OCCCN4CCOCC4)c(F)c3)cn2)C1,XTNHINLRBLXTTO-UHFFFAOYSA-N
-rxn:4:213201:225328,CCCSc1ncc(C(F)(F)F)cc1-c1ccccc1S(=O)(=O)N1CCC(COc2cc(C)ncn2)CC1,CDNAMSPVGJNYPY-UHFFFAOYSA-N
-rxn:4:213213:223671,CN(c1cccc(-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)n1)C1CCN(C(=O)OC(C)(C)C)CC1,GFDKZWHJVSYBHE-UHFFFAOYSA-N
-rxn:4:213228:222438,CC1CN(S(=O)(=O)c2cncc(-c3cc(C(=O)Nc4cc([N+](=O)[O-])ccc4F)ccc3Cl)c2)CCN1C(=O)OC(C)(C)C,MHJXPYBXSFTHHN-UHFFFAOYSA-N
-rxn:4:213228:222483,Cc1ccc(NC(=O)c2ccc(F)c(-c3cncc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)C(C)C4)c3)c2)c(C)c1,FRTAUVIBYPTSTI-UHFFFAOYSA-N
-rxn:4:213236:223062,COc1ccc(S(=O)(=O)N2CCCC(Oc3ncc(-c4cnc(C5CCNCC5)cc4F)cn3)C2)cc1C,JQRUWGWXFHVAJT-UHFFFAOYSA-N
-rxn:4:213236:223671,COc1ccc(S(=O)(=O)N2CCCC(Oc3ncc(-c4ccnc(N5CCN(C(=O)OC(C)(C)C)CC5)c4)cn3)C2)cc1C,LNLSXDYSYFHWKN-UHFFFAOYSA-N
-rxn:4:213236:224771,COc1ccc(S(=O)(=O)N2CCCC(Oc3ncc(-c4ccc(C)c(S(=O)(=O)N5CCCC5)c4)cn3)C2)cc1C,UPDZYIKEDUSFKM-UHFFFAOYSA-N
-rxn:4:213251:222630,CN(Cc1ccccc1)c1ncc(S(=O)(=O)N2CCCCC2)cc1-c1cc(C2CCC2)nc(C2CCNCC2)c1,AZWUESRXESPSEB-UHFFFAOYSA-N
-rxn:4:213251:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3cc(S(=O)(=O)N4CCCCC4)cnc3N(C)Cc3ccccc3)cc2)CC1,WQRNRMYUODUTPX-UHFFFAOYSA-N
-rxn:4:213258:225561,Cc1nn(CC2CCCN(C(=O)OC(C)(C)C)C2)c(C)c1-c1ccccc1C(=O)OC(C)(C)C,QJBJMESJJZBGDJ-UHFFFAOYSA-N
-rxn:4:213412:227742,CC(C)CS(=O)(=O)C1CCN(C(=O)c2c3ccc(-c4ccc(C(F)(F)F)cc4Cl)cc3nn2C)CC1,GYAMJZRBWUGVMN-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:4:213601:223599,CN(C(=O)OC(C)(C)C)c1cc(-c2cc3cc(C(F)(F)F)ccc3n2C(=O)OC(C)(C)C)n(C)n1,UGDIEEALWDHTHO-UHFFFAOYSA-N
-rxn:4:213604:224597,CCS(=O)(=O)N1CCC(Oc2ncc(-c3cc(C4CC4)cc(N4CCOCC4)c3)cn2)C1,MOMSVBVNVGKSBA-UHFFFAOYSA-N
-rxn:4:213642:223687,CC(C)(C)OC(=O)c1cn(-c2ccc(Cl)cc2-c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2)nn1,QMKSGJMWLQRTRW-UHFFFAOYSA-N
-rxn:4:213660:223594,CCOC(=O)N1CCN(c2ccc(-c3cc(Cl)cc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)cn2)CC1,ZOZVBOFCOJFLKU-UHFFFAOYSA-N
-rxn:4:213665:222651,CCOC(=O)N1CCN(c2ncccc2-c2cc(C(=O)NC3CCCCC3)ccc2F)CC1,DCIAZZIJRGERSH-UHFFFAOYSA-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:4:213721:222809,CC(C)(C)OC(=O)Nc1cnc(Cl)cc1-c1ccn(C2CCN(C(=O)OC(C)(C)C)C2)n1,YVPAXYCDELPRPZ-UHFFFAOYSA-N
-rxn:4:213755:223595,CC(C)(C)OC(=O)N1CCN(c2nc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)c(F)c3)cs2)CC1,QTYIIHOWKDIBDG-UHFFFAOYSA-N
-rxn:4:213764:223592,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(C4CCN(C(=O)OC(C)(C)C)C4)cn3)c(Cl)c2)CC1,YYHCOQYRKBJLSA-UHFFFAOYSA-N
-rxn:4:213765:224171,CC(C)(C)OC(=O)N1CCC(c2cncc(-c3ccc(OCCCN4CCCC4)c(F)c3)n2)C1,XYMKOSHNZLKQMD-UHFFFAOYSA-N
-rxn:4:213766:225984,CC(C)(C)OC(=O)N1CCN(c2nc(-c3cnc(Cl)c(N4CCOCC4)c3)co2)CC1,IOWZNCQPNFSYQR-UHFFFAOYSA-N
-rxn:4:213801:223790,CC(C)(C)OC(=O)N1CCOC(c2cncc(-c3cncc(C4CCCN4C(=O)OC(C)(C)C)c3)n2)C1,JONYNUWATKGWPG-UHFFFAOYSA-N
-rxn:4:213803:225875,CC(C)(C)OC(=O)N1CCOCC1c1ncc(-c2ccc(N3CCOCC3)cc2Cl)cn1,DHXBFOHGVVGHET-UHFFFAOYSA-N
-rxn:4:213805:224561,Cc1c(O[Si](C)(C)C(C)(C)C)cccc1-c1cnc(C2CN(C(=O)OC(C)(C)C)CCO2)nc1,FGDIWQAJMZDPAU-UHFFFAOYSA-N
-rxn:4:213805:225977,CC(C)(C)OC(=O)N1CCOC(c2ncc(-c3cc(Cl)cnc3N3CCOCC3)cn2)C1,CMHDNGBBQGJSGF-UHFFFAOYSA-N
-rxn:4:213839:224718,CC(C)(C)OC(=O)N1CCC(n2ccnc2-c2ccc(OCCN3CCOCC3)nc2)CC1,PESCXFAYEBDTSO-UHFFFAOYSA-N
-rxn:4:213841:223523,CCN1CCN(S(=O)(=O)c2ccc(-c3cnc(OC4CCN(CC5CCC5)CC4)nc3)c3ccccc23)CC1,AAWBICJOGLHJJW-UHFFFAOYSA-N
-rxn:4:213846:222639,C[C@H](NC(=O)OC(C)(C)C)c1ccc(-c2cccc(C(=O)N3CCN(S(=O)(=O)N(C)C)CC3)c2)cc1,JVCPJFPFZLXOEJ-IBGZPJMESA-N
-rxn:4:213868:223834,Cc1cc(-c2cnc(OC3CCCN(S(=O)(=O)c4cccc(Cl)c4)C3)nc2)cc(C)c1S(=O)(=O)N1CCN(C)CC1,UHGGXYWIVURTGZ-UHFFFAOYSA-N
-rxn:4:213874:225671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cc(C4CCCCC4)ncc3F)ccn2)CC1,FBXFGLFQWPMSFN-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:4:213875:226714,CC(C)(C)OC(=O)N1CCN(c2cccc(-c3ccnn3C(=O)OC(C)(C)C)n2)CC1,VMNGZCAQKIVXQR-UHFFFAOYSA-N
-rxn:4:213883:226068,Cc1cc(C(C)(C)C)cc(C)c1-c1sc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1C,SEOCPBRGIWDAAC-UHFFFAOYSA-N
-rxn:4:213893:224759,CC(C)(C)OC(=O)N1CCN(c2cncc(-c3cc(F)cc(C(=O)N4CCOCC4)c3)c2)CC1,NGQOXWRLKIFMLA-UHFFFAOYSA-N
-rxn:4:213897:224718,CC(C)(C)OC(=O)N1CCN(c2ccncc2-c2ccc(OCCN3CCOCC3)nc2)CC1,BMUIOXDNGWOZRO-UHFFFAOYSA-N
-rxn:4:213929:223945,Cc1cc(C)nc(OC2CCCN(C(=O)c3ccc(-c4ccc(OCCCN5CCOCC5)c(F)c4)o3)C2)n1,XOLJXXKCTFJZIG-UHFFFAOYSA-N
-rxn:4:213930:224718,Cc1ccc(C(=O)N2CCCC(Oc3ncc(-c4ccc(OCCN5CCOCC5)nc4)cn3)C2)cc1F,RAEKWCFXULBBKP-UHFFFAOYSA-N
-rxn:4:213942:223492,Cc1cc(-c2cn(C3CCN(C(=O)OC(C)(C)C)CC3)nc2C)ccc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,BAEOEXQGHHRHNL-UHFFFAOYSA-N
-rxn:4:213944:224280,CC1CN(C(=O)OC(C)(C)C)CCC1c1ncc(-c2cc3c(s2)CCN(C(=O)OC(C)(C)C)C3)[nH]1,OGFFNHOYRMPUHQ-UHFFFAOYSA-N
-rxn:4:213944:225613,CC1CN(C(=O)OC(C)(C)C)CCC1c1ncc(-c2ccnc(OC3CCCCC3)c2)[nH]1,ZAKUTHXFFOLQJU-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:4:213982:223929,CC1CN(C(=O)OC(C)(C)C)CCC1c1cc(-c2cnc3c(c2)CCN(C(=O)OC(C)(C)C)C3)ncn1,URWQLAQBNBGYQP-UHFFFAOYSA-N
-rxn:4:214014:225917,CCOC(=O)c1cc(F)c(-c2cncc(C(=O)N3CCCSCC3CN3CCCC3)c2)c(F)c1,BPOPXKAIAFTUNM-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:4:214027:224672,CCN1CCN(c2ccc(-c3cnc(N4CCCC(C(=O)N5CCOCC5)C4)c(C(F)(F)F)c3)c(Cl)c2)CC1,VYVGJNXFIHFLJS-UHFFFAOYSA-N
-rxn:4:214028:223670,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2cc(C(F)(F)F)cnc2N2CCOC(C(=O)N3CCCCC3)C2)CC1,ZPBQXVBIIFEJCV-UHFFFAOYSA-N
-rxn:4:214036:223592,CN(C)c1ccc(C2CC(c3ccc(-c4ccc(N5CCN(C(=O)OC(C)(C)C)CC5)cc4Cl)cc3)=NN2S(C)(=O)=O)cc1,OLBNMIKAYIRQKL-UHFFFAOYSA-N
-rxn:4:214038:223481,Cc1ccc(S(=O)(=O)N2CCCC(Oc3ncc(-c4ccc(S(=O)(=O)N5CCC(O[Si](C)(C)C(C)(C)C)CC5)cc4F)cn3)C2)cc1C,AGNCYKMQOYHZPO-UHFFFAOYSA-N
-rxn:4:214065:222827,Cc1nn(C(=O)c2ccc(-c3cc(F)c(S(=O)(=O)NC4CC4)cc3F)cc2)c(C)c1S(=O)(=O)N1CCC(C)CC1,UGJPBSZCUIFWQU-UHFFFAOYSA-N
-rxn:4:214201:223934,CC(C)(C)OC(=O)N1C2CC1CN(c1ccc(-c3cc4ccc(F)cc4n3C(=O)OC(C)(C)C)cn1)C2,QEFSFVXJGSXNOX-UHFFFAOYSA-N
-rxn:4:214220:223562,CC(C)(C)OC(=O)N1CCC(Cc2ccc(-c3ccc4[nH]c(C5CCCN5C(=O)OC(C)(C)C)nc4c3)cc2)CC1,SWHOHMRRIZTKMI-UHFFFAOYSA-N
-rxn:4:214246:223570,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc4c(c3)sc(=NC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)n4C)c(F)ncc21,XBUFYKFHOQELJX-UHFFFAOYSA-N
-rxn:4:214273:223651,Cc1nc(C2CCN(C(=O)OC(C)(C)C)C2)ccc1-c1ccc2ncn(C3CCN(C(=O)OC(C)(C)C)CC3)c2c1,ATLSEUNJRIUBFT-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:4:214273:225227,CC1CCN(c2ncc(-c3ccc4ncn(C5CCN(C(=O)OC(C)(C)C)CC5)c4c3)cc2Cl)CC1,CGBJTJXIJSXJCH-UHFFFAOYSA-N
-rxn:4:214347:224010,COc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1ccc2c(c1)sc(=NC(=O)c1ccc(S(=O)(=O)N3CCCCC3)cc1)n2C,QKKUDTXGLFBXOR-UHFFFAOYSA-N
-rxn:4:214630:223493,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1c(C2CC2)n[nH]c1C(=O)N1CCOCC1,IDKJOGLIJDMAGX-UHFFFAOYSA-N
-rxn:4:214660:223671,Cn1ncc(-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)c1C(=O)N1CCC(C(F)(F)F)CC1,NDPFXUBDDPEMSR-UHFFFAOYSA-N
-rxn:4:214695:223953,CCN1CCN(Cc2ccc(-c3cc(F)cc(N4CCN(CCOC)CC4)c3)nc2)CC1,RJZIQWAHYHDVOA-UHFFFAOYSA-N
-rxn:4:214752:224322,CC1CCN(S(=O)(=O)c2ccc(-c3nc(C(=O)N4CCN(C(C)C)CC4)ccc3F)cc2)CC1,RJYDNKGWCSDJRT-UHFFFAOYSA-N
-rxn:4:214792:223506,COC(C)c1ncc(N2CCN(C)CC2)cc1-c1cccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1,QCSPXXYRVITETR-UHFFFAOYSA-N
-rxn:4:214803:223595,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc(N4CCOC(C(=O)N5CCCC5)C4)nc3)cc2F)CC1,DKOCWQUZIJMHMD-UHFFFAOYSA-N
-rxn:4:214804:223593,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnccc3N3CCOC(C(=O)N4CCCC4)C3)cc2Cl)CC1,OIKGXWWSLBNGRA-UHFFFAOYSA-N
-rxn:4:214818:222466,O=C(C1CCCO1)N1CCN(c2ncc(-c3cc(C4CCCCC4)nc(C4CCNCC4)c3)cc2Cl)CC1,JSRFJHSLIGYARN-UHFFFAOYSA-N
-rxn:4:214818:224724,CCN(CC)S(=O)(=O)c1ccc(C)c(-c2cnc(N3CCN(C(=O)C4CCCO4)CC3)c(Cl)c2)c1,MWGSTLYQDRPBJH-UHFFFAOYSA-N
-rxn:4:214819:223670,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCCC3)C2)CC1,LIAQOLDFKQCWRX-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:4:214838:226141,O=C(C1CN(c2ncc(-c3ccccc3OC3CCCC3)cc2F)CCO1)N1CCOCC1,JSSGXZIIMZRBPS-UHFFFAOYSA-N
-rxn:4:214852:224250,CC1CCCCN1C(=O)c1ccc(F)c(-c2cncc(C(=O)N3CCC(N4CCCC4)CC3)c2)c1,PUCHEYMRKWAKEZ-UHFFFAOYSA-N
-rxn:4:214852:224649,O=C(c1cncc(-c2cc(F)ccc2OCC2CCCCO2)c1)N1CCC(N2CCCC2)CC1,RTWKFWZUGDCHEQ-UHFFFAOYSA-N
-rxn:4:214859:224398,Cc1cc(F)c(-c2ccc(S(=O)(=O)N3CCCC(c4ccn(C)n4)C3)cc2)cc1S(=O)(=O)N1CCCC1,DRDSEVRIJFPWDR-UHFFFAOYSA-N
-rxn:4:214862:223508,O=C(c1cncc(-c2ccc(N3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)nc2)c1)N1CCCN(C2CCSC2)CC1,HGEXZBAZTBGVKW-UHFFFAOYSA-N
-rxn:4:214862:223650,CC(C)(C)OC(=O)N1CCN(c2ccccc2-c2cncc(C(=O)N3CCCN(C4CCSC4)CC3)c2)CC1,JDHFLOPPWDFVKF-UHFFFAOYSA-N
-rxn:4:214866:222634,O=C(C1CCCN(c2ccc(-c3ccc(OCCNC4CCCC4)c(F)c3)cn2)C1)N1CCOCC1,PNOUOCKPJFQSOD-UHFFFAOYSA-N
-rxn:4:214886:226231,CCCCOc1ncc(-c2cnc(N3CCC(C(=O)N4CCC(F)(F)CC4)CC3)c(F)c2)cc1C,LDCHPGPNNROBOK-UHFFFAOYSA-N
-rxn:4:214890:224257,CC1CCCCN1C(=O)c1ccc(Cl)c(-c2cncc(C(=O)N3CCCN(C4CCSCC4)CC3)c2)c1,IWAYWQWNAMPSMS-UHFFFAOYSA-N
-rxn:4:215097:223885,CC1CN(C(=O)OC(C)(C)C)Cc2cnc(-c3ccc4c(c3)CN(C(=O)OC(C)(C)C)CC4)n21,GFALRGMTSJWESR-UHFFFAOYSA-N
-rxn:4:215198:226713,COCCOc1cc(-c2ccc3nc(N4CCOC(C(=O)N5CCOCC5)C4)sc3c2)c(F)cn1,SURCMUAHHIFHNX-UHFFFAOYSA-N
-rxn:4:215891:222722,CN1CCN(c2ccc([N+](=O)[O-])c(-c3cccc(S(=O)(=O)N4CCC(O)CC4)c3)c2)CC1,DWJOTRVAPHPMGY-UHFFFAOYSA-N
-rxn:4:215914:223671,Cc1nc(N2CCC(C(F)(F)F)CC2)ncc1-c1ccnc(N2CCN(C(=O)OC(C)(C)C)CC2)c1,QAUJUSGZDRZUSI-UHFFFAOYSA-N
-rxn:4:215942:223970,Cc1ccc(-c2ncccc2N2CCC(N(C)C)CC2)cc1S(=O)(=O)N1CCC(C)CC1,RSFRRFUINAVOOG-UHFFFAOYSA-N
-rxn:4:215945:223970,Cc1ccc(-c2cc(N3CCC(N(C)C)CC3)ccn2)cc1S(=O)(=O)N1CCC(C)CC1,ZGLMEMMRRKQRQT-UHFFFAOYSA-N
-rxn:4:215966:223489,CC1CCN(c2cc(C3CC3)nc(-c3ccc(S(=O)(=O)N4CCC(O[Si](C)(C)C(C)(C)C)CC4)cc3)n2)CC1,HLCSGGSOWOXSHN-UHFFFAOYSA-N
-rxn:4:215966:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3nc(C4CC4)cc(N4CCC(C)CC4)n3)c2)CC1,YDFFMHIMVBLWCA-UHFFFAOYSA-N
-rxn:4:217085:223527,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)ccc2-c2ncc(N3CCOCC3)nc2Cl)CC1,ZVVFOHNQIQJHEP-UHFFFAOYSA-N
-rxn:4:217088:223528,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3c(Cl)ncnc3N3CCOCC3)ccc2F)CC1,CQBJTEVERHURDL-UHFFFAOYSA-N
-rxn:4:217175:223542,CC1CCN(c2ccnc(-c3ccc(OC(F)(F)F)c(S(=O)(=O)N4CCN(C)CC4)c3)n2)CC1,BLHWVJFIUIUXHX-UHFFFAOYSA-N
-rxn:4:217202:223784,CCN1CCN(CCOc2ccc(-c3cnc(N4CCN(C)C(=O)C4)c(C)c3)cc2F)CC1,KJGZOKUKHSPYIZ-UHFFFAOYSA-N
-rxn:4:217213:223671,Cc1cc(N2CCN(C)CC2)ncc1-c1ccnc(N2CCN(C(=O)OC(C)(C)C)CC2)c1,JIUYIFCIUONWGJ-UHFFFAOYSA-N
-rxn:4:217801:223528,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3cn(C4CCCC4)c4ncnc(Cl)c34)ccc2F)CC1,PIWBERQMXLURSS-UHFFFAOYSA-N
-rxn:4:217801:223529,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cn(C4CCCC4)c4ncnc(Cl)c34)cc2F)CC1,SFSLXECFFABBQK-UHFFFAOYSA-N
-rxn:4:217801:223531,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cn(C4CCCC4)c4ncnc(Cl)c34)cc2Cl)CC1,STXSDIIHCNLXIO-UHFFFAOYSA-N
-rxn:4:217838:223532,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)cc(-c3ccc4ncnc(N5CCCC5)c4c3)c2)CC1,AHEDYSJDGGRPLZ-UHFFFAOYSA-N
-rxn:4:217886:223523,CCN1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CC5CCCCC5C4)nc3)c3ccccc23)CC1,JZUHXVRZEJBODU-UHFFFAOYSA-N
-rxn:4:218578:222928,Cc1nc(N2CCC(O)CC2)ncc1-c1cnn(C2(CC#N)CCN(C(=O)OC(C)(C)C)CC2)c1,IKDGTXLPCOAPQI-UHFFFAOYSA-N
-rxn:4:218582:224497,CCN1CCN(Cc2ccc(-c3cnc(OCC4CCCN(C(=O)Cc5cccnc5)C4)nc3)cc2)CC1,IKXBSEPMJSKBCR-UHFFFAOYSA-N
-rxn:4:218588:224497,CCN1CCN(Cc2ccc(-c3cnc(OCC4CCN(S(=O)(=O)c5ccccc5C#N)CC4)nc3)cc2)CC1,NFIDEBURAQDBDG-UHFFFAOYSA-N
-rxn:4:218615:223594,CN(CC1CCN(C(=O)OC(C)(C)C)C1)c1cnc(-c2cc(Cl)cc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)cn1,RQQQTEZDZZTODY-UHFFFAOYSA-N
-rxn:4:218652:223836,COc1ncnc2c1cc(-c1cnc(N(C)CC3CCN(C(=O)OC(C)(C)C)CC3)cn1)n2C(=O)OC(C)(C)C,ODJPTWVXAICJQE-UHFFFAOYSA-N
-rxn:4:218655:224337,COc1cc(=O)n(C)cc1C(=O)N1CCC(COc2ncc(-c3cnc(C(F)(F)F)c(C4CCCCC4)c3)cn2)CC1,CQVGEZSPDUSOEE-UHFFFAOYSA-N
-rxn:4:218655:225975,COc1cc(=O)n(C)cc1C(=O)N1CCC(COc2ncc(-c3ccnc(N4CCOCC4)c3Cl)cn2)CC1,UESQUYGYVKYXGT-UHFFFAOYSA-N
-rxn:4:218704:223588,Cc1cc(Cl)ccc1OCC(=O)N1CCCN(c2cc(-c3ccc(-c4cnc(N5CCN(C(=O)OC(C)(C)C)CC5)c(C)c4)cc3)n[nH]2)CC1,VMUYWCXHAVDCQK-UHFFFAOYSA-N
-rxn:4:218704:225829,Cc1cc(Cl)ccc1OCC(=O)N1CCCN(c2cc(-c3ccc(-c4cnc(N5CCC(C)CC5)nc4)cc3)n[nH]2)CC1,SZGXBWGNKCOLKC-UHFFFAOYSA-N
-rxn:4:218705:224759,CC(Oc1ccc(Cl)cc1)C(=O)N1CCCN(c2cc(-c3ccc(-c4cc(F)cc(C(=O)N5CCOCC5)c4)cc3)n[nH]2)CC1,UGIUQJJTHLQDCH-UHFFFAOYSA-N
-rxn:4:218709:223812,COc1cc(OC)cc(C(=O)N2CCCN(c3cc(-c4ccc(-c5cc(F)cc(CN6CCC7(CC6)OCCO7)c5)cc4)n[nH]3)CC2)c1,IDHFIFZNQRWENQ-UHFFFAOYSA-N
-rxn:4:218711:223175,CCS(=O)(=O)Nc1cccc(-c2cc([N+](=O)[O-])ccc2N2CCC(N3CCN(C(=O)OC(C)(C)C)CC3)CC2)c1,DQDLAQDRJBZXQN-UHFFFAOYSA-N
-rxn:4:218711:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cc([N+](=O)[O-])ccc3N3CCC(N4CCN(C(=O)OC(C)(C)C)CC4)CC3)ccn2)CC1,FDRUWFAACZKLJV-UHFFFAOYSA-N
-rxn:4:218711:223939,CC(C)(C)OC(=O)N1CCN(C2CCN(c3ccc([N+](=O)[O-])cc3-c3ccc4c(c3)N(C(=O)OC(C)(C)C)CCO4)CC2)CC1,PCRRIGVAHQZIGI-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:4:218832:222584,O=C(c1cscn1)N1CCCC(COc2ncc(-c3ccc(OCCCN4CCNCC4)c(F)c3)cn2)C1,IFIZYHDJIGZUBB-UHFFFAOYSA-N
-rxn:4:218832:223787,CN1CCN(CCCOc2ccc(-c3cnc(OCC4CCCN(C(=O)c5cscn5)C4)nc3)cc2F)CC1,FXGUDCFFDOVXKX-UHFFFAOYSA-N
-rxn:4:218879:224251,CC1CCCN(C(=O)c2ccc(-c3cnc(OCC4CCN(C(=O)c5ccccn5)CC4)nc3)c(F)c2)C1,JZRRSJUCLXEVNL-UHFFFAOYSA-N
-rxn:4:218885:224759,Cc1ncsc1C(=O)N1CCC(COc2ncc(-c3cc(F)cc(C(=O)N4CCOCC4)c3)cn2)CC1,FYVAMTLTZLOJJO-UHFFFAOYSA-N
-rxn:4:218886:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnc(OCC4CCCN(C(=O)c5scnc5C)C4)nc3)c(F)c2)CC1,CVCPMDXQCPMFTQ-ANRZFKABSA-N
-rxn:4:218888:223812,Cc1oncc1C(=O)N1CCCC(COc2ncc(-c3cc(F)cc(CN4CCC5(CC4)OCCO5)c3)cn2)C1,NAMRPKQDGMXYGZ-UHFFFAOYSA-N
-rxn:4:218888:224672,CCN1CCN(c2ccc(-c3cnc(OCC4CCCN(C(=O)c5cnoc5C)C4)nc3)c(Cl)c2)CC1,INAZONVEYBRRQZ-UHFFFAOYSA-N
-rxn:4:218899:224010,COc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1cnc(OC2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)nc1,ZGQCPTTUJLKLRR-UHFFFAOYSA-N
-rxn:4:218917:223084,CC(C)(C)OC(=O)N1CCN(C(=O)c2ncc(-c3cnc(N4CCC(O)CC4)nc3)cn2)CC1,VZYFWSOQOZUNTG-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:4:219011:222499,Cc1ccc(S(=O)(=O)NCc2ccccc2)cc1-c1cnc(N(C)C2CCN(C(=O)OC(C)(C)C)CC2)cn1,CQFAVILIGDCBJF-UHFFFAOYSA-N
-rxn:4:219028:226848,COc1ccc(-c2c(C(=O)N3CCN(C(=O)OC(C)(C)C)C(C)C3)cnn2C)c(C(F)(F)F)n1,MKVDXNOXVZFRHK-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:4:219120:225877,O=C(c1cncc(-c2ccc(Cl)cc2N2CCOCC2)c1)N1CC2CCCC2(COc2ncc(F)cn2)C1,MOMMSODAXZSUEJ-UHFFFAOYSA-N
-rxn:4:219155:225875,Cc1cnc(OCC23CCCC2CN(C(=O)c2cncc(-c4ccc(N5CCOCC5)cc4Cl)c2)C3)nc1,REKUTQUUWRPGLN-UHFFFAOYSA-N
-rxn:4:219175:222824,Cc1cc(F)c(-c2ccc(-c3cc(C(F)(F)F)n4nc(C(=O)N(C)C5CCCCC5)cc4n3)cc2)cc1S(=O)(=O)NC(C)C,UZBRTMUDVPCOIX-UHFFFAOYSA-N
-rxn:4:219439:222389,FC(F)(F)c1ccnc(N2CCN(Cc3cccc(-c4cc(C5CCNCC5)nc(C5CCNCC5)c4)c3)CC2)n1,HRXCMPDXZMITBV-UHFFFAOYSA-N
-rxn:4:219439:222622,CCC(C)c1cc(-c2cccc(CN3CCN(c4nccc(C(F)(F)F)n4)CC3)c2)cc(C2CCCNC2)n1,BUVMAUSJMHMUGW-UHFFFAOYSA-N
-rxn:4:219488:223938,C[C@H]1CN(C(=O)OC(C)(C)C)CCN1c1ncc(-c2cc3cc(Cl)ccc3n2C(=O)OC(C)(C)C)cn1,SADCNZLOJLDSJV-KRWDZBQOSA-N
-rxn:4:219488:223939,C[C@H]1CN(C(=O)OC(C)(C)C)CCN1c1ncc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CCO3)cn1,NGLJMIKJPIUHGB-SFHVURJKSA-N
-rxn:4:219522:223972,Cc1cc(OC2CCN(C(=O)c3cncc(-c4ccc(N5CCCCC5C)cc4C(F)(F)F)c3)CC2)nc(C)n1,VBCRJNXPDOFNJT-UHFFFAOYSA-N
-rxn:4:219543:225671,Cc1cc(C)c(C#N)c(N2CCN(S(=O)(=O)c3ccc(-c4cc(C5CCCCC5)ncc4F)cc3)CC2)n1,MIIDBNQYHZSDAN-UHFFFAOYSA-N
-rxn:4:219565:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3ccc(S(=O)(=O)N4CCCN(c5nc(C)cc(C)c5C#N)CC4)cc3)c2)CC1,DTCIPTJUIWNCNC-UHFFFAOYSA-N
-rxn:4:219565:225947,Cc1cc(C)c(C#N)c(N2CCCN(S(=O)(=O)c3ccc(-c4cnc(N5CCN(C)CC5)nc4)cc3)CC2)n1,FCBUMQISWNLKEV-UHFFFAOYSA-N
-rxn:4:219627:224389,Cc1ccn(-c2ccc(-c3nnc(N4CC5CCC(C4)N5C(=O)OC(C)(C)C)s3)c(C(F)(F)F)c2)n1,AQNMNYGLTAFMJP-UHFFFAOYSA-N
-rxn:4:219653:223065,CC(C)(C)OC(=O)N1CCN(c2nc3ccc(-c4ccc(N5CCNCC5)cc4F)nc3s2)CC1,MRYPTSLXRYTNHE-UHFFFAOYSA-N
-rxn:4:219653:225984,CC(C)(C)OC(=O)N1CCN(c2nc3ccc(-c4cnc(Cl)c(N5CCOCC5)c4)nc3s2)CC1,IDTOAYWGXBWQNV-UHFFFAOYSA-N
-rxn:4:219692:223505,CC(C)(C)OC(=O)N1CCC(n2cc(-c3ccc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)cc3)c3cnc(Cl)nc32)CC1,WEVUQBINFOXZAZ-UHFFFAOYSA-N
-rxn:4:219880:223844,CSc1ncc(-c2ccc(S(=O)(=O)N3CCCC3)cc2C(F)(F)F)c(N2CCN(S(C)(=O)=O)CC2)n1,NOKOVLCPWVETGN-UHFFFAOYSA-N
-rxn:4:219931:223834,Cc1cc(-c2cnc(N3CCCN(S(=O)(=O)C4CC4)CC3)nc2)cc(C)c1S(=O)(=O)N1CCN(C)CC1,NNAOMDKWZLUBPW-UHFFFAOYSA-N
-rxn:4:219931:224753,Cc1ccc(S(=O)(=O)N2CCCC2)cc1-c1cnc(N2CCCN(S(=O)(=O)C3CC3)CC2)nc1,HSIPHGNWJNRMPR-UHFFFAOYSA-N
-rxn:4:219955:226232,CN(C)CCOc1cccc(-c2cnc(N3CCOC(C(=O)N4CCSCC4)C3)nc2)c1,BJUAWYNPJNFAIB-UHFFFAOYSA-N
-rxn:4:219959:224196,CCN1CCN(Cc2cc(F)cc(-c3cnc(N4CCOC(C(=O)N5CCOCC5)C4)nc3)c2)CC1,USMJXHKBRKBZTJ-UHFFFAOYSA-N
-rxn:4:219988:223491,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cnc(N4CCCC(C(=O)N5CCOCC5)C4)nc3)cc(C(F)(F)F)c2)CC1,QVWBTFWHIROYPC-UHFFFAOYSA-N
-rxn:4:220041:223583,COC(=O)c1ccc2c(-c3nnn4c3CN(C(=O)OC(C)(C)C)CC4)cn(C(=O)OC(C)(C)C)c2c1,NIZKLVWVPDRILV-UHFFFAOYSA-N
-rxn:4:220137:223505,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(-c3ccc4nc(N5CCN(S(=O)(=O)C6CC6)CC5)ncc4c3)cc2)CC1,PECIYQPYHGUHKZ-UHFFFAOYSA-N
-rxn:4:220205:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3ccc4nc(N5CCOC(C(=O)N6CCOCC6)C5)ncc4c3)c2Cl)CC1,GGOWNDRVUSQCIQ-UHFFFAOYSA-N
-rxn:4:220205:226249,CCCCOc1cc(Cl)cc(-c2ccc3nc(N4CCOC(C(=O)N5CCOCC5)C4)ncc3c2)c1,GJKORUNDJWHHKW-UHFFFAOYSA-N
-rxn:4:220209:224773,Cc1cc(-c2ccccc2S(=O)(=O)N2CCCc3cnc(N4CCOCC4)nc32)ccc1S(=O)(=O)N1CCCC1,AGKIEQOMIJEJLB-UHFFFAOYSA-N
-rxn:4:220209:224805,CCOC(=O)c1cc(-c2ccccc2S(=O)(=O)N2CCCc3cnc(N4CCOCC4)nc32)cc(C(F)(F)F)c1,JZERUGVLMZBKSW-UHFFFAOYSA-N
-rxn:4:220209:225613,O=S(=O)(c1ccccc1-c1ccnc(OC2CCCCC2)c1)N1CCCc2cnc(N3CCOCC3)nc21,UQNYQPSJJNTNAU-UHFFFAOYSA-N
-rxn:4:220429:222537,c1nc(N2CCCN(C3CCOC3)CC2)ncc1-c1cc(C2CCCC2)nc(C2CCCNC2)c1,BHTZJBZGFKWFFT-UHFFFAOYSA-N
-rxn:4:220533:224589,CC1CCN(Cc2cc(F)ccc2-c2cnc(N3CC(N4CC5CCCC5C4)C3)nc2)CC1,DPQLOQXRYZVNEO-UHFFFAOYSA-N
-rxn:4:221106:224187,COc1nccnc1N(C)CC1CCN(C(=O)c2cncc(-c3ccc(OCCN4CCCCC4)cc3F)c2)CC1,KLQBKKAARFRDIU-UHFFFAOYSA-N
-rxn:4:221127:222524,CCOC(=O)C1CCN(c2nc3c(S(=O)(=O)c4ccc(-c5cc(F)c(F)cc5S(=O)(=O)N5CCC(O)CC5)cc4)nnn3c3ccsc23)CC1,NJILZXWTJDQZMK-UHFFFAOYSA-N
-rxn:4:221127:225947,CCOC(=O)C1CCN(c2nc3c(S(=O)(=O)c4ccc(-c5cnc(N6CCN(C)CC6)nc5)cc4)nnn3c3ccsc23)CC1,PXBPHMJOBUEKRG-UHFFFAOYSA-N
-rxn:4:221152:224126,CCN1CCN(C(C)c2cccc(-c3cnc(OCC4CCCN(C(=O)c5snnc5C)C4)nc3)c2)CC1,HHVUDSBLLXRJGE-UHFFFAOYSA-N
-rxn:4:221169:224426,Cn1cc(S(=O)(=O)N2CCCC(COc3ncc(-c4cc(C5CCCCC5)cc(C5CC5)c4)cn3)C2)cn1,CFZXOGJKANNQCK-UHFFFAOYSA-N
-rxn:4:221178:223998,CC1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCC(COc5ccc(C6CC6)nn5)CC4)nc3)cc2F)CC1,WXINHGVKTOIRAB-UHFFFAOYSA-N
-rxn:4:221178:223999,CC1CCN(S(=O)(=O)c2ccc(F)c(-c3cnc(N4CCC(COc5ccc(C6CC6)nn5)CC4)nc3)c2)CC1,NSCPBRRFAKHEQR-UHFFFAOYSA-N
-rxn:4:221179:222540,O=C(NCCN1CCCCC1)c1cccc(-c2cnc(OCC3CCCN(c4ccnc(C5CC5)n4)C3)nc2)c1,XWDYSHXRMCOMSM-UHFFFAOYSA-N
-rxn:4:221205:224018,O=S(=O)(c1cc(F)c(F)cc1-c1ccc(CCN2CCN(c3ccnc(N4CCOCC4)n3)CC2)cc1)N1CCOCC1,BZRAGMJCORHXDA-UHFFFAOYSA-N
-rxn:4:221205:224376,CN1CCN(S(=O)(=O)c2cccc(-c3ccc(CCN4CCN(c5ccnc(N6CCOCC6)n5)CC4)cc3)c2)CC1,YEMNALXHKSFAFP-UHFFFAOYSA-N
-rxn:4:221214:222522,CCN(CC)C(=O)Cn1c(-c2ccc(OC)c(S(=O)(=O)N3CCC(O)CC3)c2)nc2c1c(=O)n(C)c(=O)n2C,AFIPLSVIDMNKKR-UHFFFAOYSA-N
-rxn:4:221214:224392,CCN(CC)C(=O)Cn1c(-c2cc(S(=O)(=O)N3CCOCC3)ccc2C)nc2c1c(=O)n(C)c(=O)n2C,RRIVUDLALIEQDR-UHFFFAOYSA-N
-rxn:4:221219:223542,COc1cc2ncnc(N3CC(Cn4cc(-c5ccc(OC(F)(F)F)c(S(=O)(=O)N6CCN(C)CC6)c5)cn4)C3)c2cc1OC,KUWKDUAZDQVYBL-UHFFFAOYSA-N
-rxn:4:221232:222546,N#Cc1cc2c(nc1N1CCCC(COc3ncc(-c4ccc(OCCNC5CCCCC5)c(F)c4)cn3)C1)CCOC2,YXQSOKCIZJFCTR-UHFFFAOYSA-N
-rxn:4:221232:225975,N#Cc1cc2c(nc1N1CCCC(COc3ncc(-c4ccnc(N5CCOCC5)c4Cl)cn3)C1)CCOC2,BPAFACHPJZWUBB-UHFFFAOYSA-N
-rxn:4:221249:222787,CC(C)(C)OC(=O)Nc1ccc(-c2cnn3cc(-c4ccc(N5CCN(C(=O)OC(C)(C)C)CC5)cc4)cnc23)c(Cl)c1,LMYQSKWSYKMYCN-UHFFFAOYSA-N
-rxn:4:221249:222887,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc4c(-c5cccc(C(=O)N6CCNCC6)c5)cnn4c3)cc2)CC1,XBZQIKZQSZTXIF-UHFFFAOYSA-N
-rxn:4:221347:223593,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(OCC4CCN(c5ncc(F)cn5)CC4)nc3)cc2Cl)CC1,KKLXHLOGLYSPHK-UHFFFAOYSA-N
-rxn:4:221394:222719,O=c1ccc(C2CC2)nn1CC1CCN(c2ncc(-c3cc(C4CCCNC4)nc(C(F)(F)F)c3)cn2)CC1,GOVKLMMYLMODBR-UHFFFAOYSA-N
-rxn:4:221394:223697,O=c1ccc(C2CC2)nn1CC1CCN(c2ncc(-c3ccc(S(=O)(=O)N4CCCCC4)cc3C(F)(F)F)cn2)CC1,BWNHPQBNJYMUMX-UHFFFAOYSA-N
-rxn:4:221404:223697,CN(C)c1nccc(N2CCN(Cc3cccc(-c4ccc(S(=O)(=O)N5CCCCC5)cc4C(F)(F)F)c3)CC2)n1,YOJBRNUFCLVEAK-UHFFFAOYSA-N
-rxn:4:221404:223786,CN1CCN(CCCOc2ccc(-c3cccc(CN4CCN(c5ccnc(N(C)C)n5)CC4)c3)cc2Cl)CC1,DUCYXIKGNJVIPI-UHFFFAOYSA-N
-rxn:4:221416:223186,O=C(c1ccc(-c2cnn(C3CCCCO3)c2)o1)N1CCN(c2ccc(N3CCCCC3)nn2)CC1,DPRRJVAZFQYPEA-UHFFFAOYSA-N
-rxn:4:221425:222848,CCc1cc(-c2cccc(CN3CCN(c4nccc(N5CCOCC5)n4)CC3)c2)cc(C2CCCNC2)n1,SFABWFUXKBDWJS-UHFFFAOYSA-N
-rxn:4:221440:223175,CCS(=O)(=O)Nc1cccc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCCC5)n4)CC3)cc2)c1,XMDSXBSGWBECAS-UHFFFAOYSA-N
-rxn:4:221440:224392,Cc1cc(N2CCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(S(=O)(=O)N5CCOCC5)ccc4C)cc3)CC2)n1,IGLWPIAIVNISPO-UHFFFAOYSA-N
-rxn:4:221442:223033,CCCNC(=O)c1ccc(-c2ccccc2CN2CCN(c3cc(N4CCOCC4)nc(C)n3)CC2)c(Cl)c1,MSNOXQIVQOTCFK-UHFFFAOYSA-N
-rxn:4:221443:223114,CCCNC(=O)c1cccc(-c2cccc(CN3CCN(c4cc(N5CCOCC5)nc(C)n4)CC3)c2)c1,JCRJVVVELYSCGF-UHFFFAOYSA-N
-rxn:4:221444:223136,Cc1cc(N2CCOCC2)nc(N2CCN(Cc3ccccc3-c3ccncc3C3CCCNC3)CC2)n1,QHXUQMNCDBHTOH-UHFFFAOYSA-N
-rxn:4:221446:226176,Cc1cc(N2CCOCC2)nc(N2CCN(Cc3ccc(-c4ccncc4C4CCCCC4)cc3)CC2)n1,RPUZVXICPYEYBS-UHFFFAOYSA-N
-rxn:4:221453:223506,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4cccc(S(=O)(=O)N5CCN(C(=O)OC(C)(C)C)CC5)c4)cc3)CC2)n1,MDJGKHXZELCVSA-UHFFFAOYSA-N
-rxn:4:221456:224502,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccc(OCC5CCCCN5C)c4)cc3)CC2)n1,UIJTUTRIJNVGLK-UHFFFAOYSA-N
-rxn:4:221456:226527,CCOC(=O)c1ccc(F)cc1-c1ccc(S(=O)(=O)N2CCN(c3nc(C)cc(N4CCCCC4)n3)CC2)cc1,CAOVSZGNKROUNF-UHFFFAOYSA-N
-rxn:4:221491:222546,Fc1cnc(OCC23CCCC2CN(c2ncc(-c4ccc(OCCNC5CCCCC5)c(F)c4)cn2)C3)nc1,RYDQEZKDMQXBSL-UHFFFAOYSA-N
-rxn:4:221498:223594,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)cc(-c3c[nH]c4ncnc(N5CCN(C(=O)OC(C)(C)C)CC5)c34)c2)CC1,MBSOBBKRSCZGIY-UHFFFAOYSA-N
-rxn:4:221522:223812,COc1ccc2c(=O)n(CC3CCN(c4ncc(-c5cc(F)cc(CN6CCC7(CC6)OCCO7)c5)cn4)CC3)cnc2c1,SXTOIDZFZBNANN-UHFFFAOYSA-N
-rxn:4:221528:223812,CC(C)c1sc(-c2cc(F)cc(CN3CCC4(CC3)OCCO4)c2)nc1C(=O)N1CCN(c2nc3ccccc3n2C)CC1,HQVYVKOMFSVVRC-UHFFFAOYSA-N
-rxn:4:221564:225176,CCCCn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3ccc(CN4CCOCC4)c(Cl)c3)cc2)n(C)c1=O,KWWRYEYERKNNAX-UHFFFAOYSA-N
-rxn:4:221609:223527,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)ccc2-c2cnc(OC3CCN(c4ncc(Cl)cn4)CC3)nc2)CC1,MNQVAYNNDCDBSH-UHFFFAOYSA-N
-rxn:4:221609:223528,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3cnc(OC4CCN(c5ncc(Cl)cn5)CC4)nc3)ccc2F)CC1,RRLKNCFKNPWNJU-UHFFFAOYSA-N
-rxn:4:221609:223531,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cnc(OC4CCN(c5ncc(Cl)cn5)CC4)nc3)cc2Cl)CC1,DKOKNHPYWQQZFG-UHFFFAOYSA-N
-rxn:4:221612:223528,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3cnc(OC4CCN(c5ncc(F)cn5)CC4)nc3)ccc2F)CC1,TUCRJNVYSHOKJX-UHFFFAOYSA-N
-rxn:4:221612:223532,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)cc(-c3cnc(OC4CCN(c5ncc(F)cn5)CC4)nc3)c2)CC1,DLNZRZGQGHNBOJ-UHFFFAOYSA-N
-rxn:4:221631:223527,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)ccc2-c2cnc(N3CC(n4nc(-c5ccccc5)ccc4=O)C3)nc2)CC1,QGFKVQVIQGYATB-UHFFFAOYSA-N
-rxn:4:221631:223528,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3cnc(N4CC(n5nc(-c6ccccc6)ccc5=O)C4)nc3)ccc2F)CC1,GIJUQIBRYPAYAA-UHFFFAOYSA-N
-rxn:4:221631:223531,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cnc(N4CC(n5nc(-c6ccccc6)ccc5=O)C4)nc3)cc2Cl)CC1,PJIDSMWLCIWWHZ-UHFFFAOYSA-N
-rxn:4:221641:224320,Cc1ccc(S(=O)(=O)N2CCCCC2)cc1-c1cnc(N2CCC(n3nc(C4CC4)ccc3=O)CC2)nc1,FPRYQJIKGQJSHP-UHFFFAOYSA-N
-rxn:4:221650:223531,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cnn(CC4CN(c5ncnc6ccsc56)C4)c3)cc2Cl)CC1,BEPHUDCCMRSETL-UHFFFAOYSA-N
-rxn:4:221665:223532,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)cc(-c3cnn(CC4CN(c5ncnc6ccc(F)cc56)C4)c3)c2)CC1,CQLGLTONXGSSGW-UHFFFAOYSA-N
-rxn:4:221702:222634,Cn1c(=O)c2c(nc(-c3ccc(OCCNC4CCCC4)c(F)c3)n2CCN2CCOCC2)n(C)c1=O,ZFYZTUQNEGXFIK-UHFFFAOYSA-N
-rxn:4:221721:223576,CC(C)(C)OC(=O)N1CCC(Oc2cccc(-c3cnc(N4CCC(Cn5cnc6ccccc6c5=O)CC4)nc3)c2)CC1,ALNULMAJEVKDNX-UHFFFAOYSA-N
-rxn:4:221738:223687,CCCn1c(=O)c2c(nc3n(-c4ccc(-c5cnc(N6CCN(C(=O)OC(C)(C)C)CC6)nc5)cc4)c(C)cn23)n(C)c1=O,ICOVNDQTQWUWSA-UHFFFAOYSA-N
-rxn:4:221827:223594,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)cc(-c3ccc(-c4ccnc5nc(N6CCOCC6)nn45)cc3)c2)CC1,NNEWBGAVWUQUFW-UHFFFAOYSA-N
-rxn:4:221951:224359,CCN(CC)C(=O)c1cc(-c2cnc(N3CCC(CN(C)c4nccnc4OC)CC3)nc2)cc([N+](=O)[O-])c1,UBHSCRGVPSGLJP-UHFFFAOYSA-N
-rxn:4:221976:222956,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5cccc(-c6ccc(C)cc6C6CCCNC6)c5)no4)C3C2=O)cc1,ZQWHLYZTRMJLJP-UHFFFAOYSA-N
-rxn:4:221976:224327,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5cccc(-c6cccc(S(=O)(=O)N7CCCC(C)C7)c6)c5)no4)C3C2=O)cc1,QTJOXWMDJNUMHN-UHFFFAOYSA-N
-rxn:4:221982:225272,CCOC(=O)C(F)(F)c1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C(C)C)cc6)C(=O)C54)n3)cc2)cc1,SVUFBQSLEYEGHO-UHFFFAOYSA-N
-rxn:4:221985:225210,Cc1nc(N2CCC(C)CC2)ncc1-c1cc2c(cn1)nc(-c1cnn(C)c1)n2[C@@H]1CCCN(C(=O)OC(C)(C)C)C1,QYVVCRYGFVOUGI-HSZRJFAPSA-N
-rxn:4:222046:224010,CCc1c(C)nc(C2CC2)nc1N1CCN(c2ncc(-c3cc(S(=O)(=O)N4CCOCC4)ccc3OC)cn2)CC1,HGCMXBHGJRQPRP-UHFFFAOYSA-N
-rxn:4:222053:223997,CCc1cc(N2CCN(c3ncc(-c4cc(C)c(S(=O)(=O)N5CCOCC5)c(C)c4)cn3)CC2)nc(C(C)(C)C)n1,LZVFNWHYXNDFCE-UHFFFAOYSA-N
-rxn:4:222053:224991,CCc1cc(N2CCN(c3ncc(-c4cc(C5CC5)nc(N5CCCC5)c4)cn3)CC2)nc(C(C)(C)C)n1,CDVVBKMNMBHKJH-UHFFFAOYSA-N
-rxn:4:222056:223839,COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cnc(N2CCN(c3cc(C(C)(C)C)nc(C4CC4)n3)CC2)nc1,MFOMFALMYCUBLK-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
-rxn:4:222162:223999,CC1CCN(S(=O)(=O)c2ccc(F)c(-c3cnc(N4CCN(c5cc(C6CCC6)ncn5)CC4)nc3)c2)CC1,VTSLHKAADNTWLW-UHFFFAOYSA-N
-rxn:4:222168:223840,COc1ccc(-c2cnc(N3CCN(c4cc(C5CCOCC5)ncn4)CC3)nc2)cc1S(=O)(=O)N1CCN(C)CC1,HADCGGDWNGSZJS-UHFFFAOYSA-N
-rxn:4:222169:223997,Cc1nc(N2CCN(c3ncc(-c4cc(C)c(S(=O)(=O)N5CCOCC5)c(C)c4)cn3)CC2)cc(C(C)(C)C)n1,RYFBRJQDLNDZEU-UHFFFAOYSA-N
-rxn:4:222297:223897,CCn1nnc2c(N3CCN(C(=O)c4ccc(-c5ccc(C)c(OCCCN6CCOCC6)c5)o4)CC3)ncnc21,GSRZJSMHZOWGJV-UHFFFAOYSA-N
-rxn:4:222331:222699,FC(F)(F)c1cc(-c2cnc(N3CCN(c4nccc(N5CCOCC5)n4)CC3)nc2)ccc1C1CCCNC1,CTVASPCRJUTOTK-UHFFFAOYSA-N
-rxn:4:222334:222741,Cc1cc(N2CCCC2)nc(N2CCN(c3ncc(-c4cc(C5CC5)nc(C5CCCNC5)c4)cn3)CC2)n1,FDANLDZMDFEICZ-UHFFFAOYSA-N
-rxn:4:222334:224648,Cc1cc(N2CCCC2)nc(N2CCN(c3ncc(-c4ccc(O[Si](C)(C)C(C)(C)C)cc4Cl)cn3)CC2)n1,JABIXYJRCSXILX-UHFFFAOYSA-N
-rxn:4:222338:222658,Cc1nc(N2CCOCC2)cc(N2CCN(c3ncc(-c4cc(F)cc(C(=O)NC5CCCCC5)c4)cn3)CC2)n1,DXSMQDPAOLGWFZ-UHFFFAOYSA-N
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-rxn:5:177737:223056:226664,CC(C)(C)OC(=O)c1cc(-c2cc(N3CCCC3)ncc2F)ccc1-c1ccc(N2CCC(O)CC2)nc1,UPHBMLJKTRYMOF-UHFFFAOYSA-N
-rxn:5:177737:225834:226663,CC(C)(C)OC(=O)c1cc(-c2ccc(N3CCSCC3)nc2)ccc1-c1cc(N2CCCCC2)ncc1F,WBYDKFFUIBHDMK-UHFFFAOYSA-N
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-rxn:5:177850:226185:226764,CCOc1ccc(-c2ccc(C3CCOCC3)cc2)c(C2OCCO2)c1-c1ccc(F)c(C(=O)OC)c1F,IPUXFHKPKJTBLY-UHFFFAOYSA-N
-rxn:5:177891:225652:227021,CC1CCCN(c2cncc(-c3ccccc3C(=O)SC3CS(=O)(=O)CC3c3ccc(C4(C#N)CC4)cc3)c2)C1,XUVYWIAUOXBKBF-UHFFFAOYSA-N
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-rxn:5:178224:226861:222987,Cc1nc(C2CCNCC2)ccc1-c1cc(OCC2CCCCC2)cc(-c2ccc(OC(F)(F)F)c(F)c2)c1,NSFJZWCBAFEAKM-UHFFFAOYSA-N
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-rxn:5:178295:227041:228189,CCOc1cc(C)c(-c2ccc(-c3cc(SCC)ccc3F)cc2C2(C(=O)OC)CCC(=O)CC2)cc1C,KPRPNEKHLDMKSQ-UHFFFAOYSA-N
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-rxn:5:178368:226045:227724,Cc1cc(S(=O)(=O)Oc2cc(C)c(-c3cc(OC(F)F)ccc3F)c(C)c2)c(C)cc1-c1ccc(C(F)(F)C(F)(F)F)nc1,WDMQUTODQIQZRA-UHFFFAOYSA-N
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-rxn:5:178467:223062:227093,CCOC(=O)C1=Cc2cc(-c3cccnc3C3CCCC3)cc(-c3cnc(C4CCNCC4)cc3F)c2OC1,ZOWUCHVRXVELQU-UHFFFAOYSA-N
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-rxn:5:178467:226395:227020,CCOC(=O)C1=Cc2cc(-c3cncc(C#CC4CC4)c3)cc(-c3cncc(N4CCCCC4)c3)c2OC1,JASNHKCALRDPAE-UHFFFAOYSA-N
-rxn:5:178467:226664:226366,CCOC(=O)C1=Cc2cc(-c3ccnc(N4CCCCC4)c3)cc(-c3cc(N4CCCC4)ncc3F)c2OC1,WUGCSLJLPOVKFN-UHFFFAOYSA-N
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-rxn:5:180092:225454:226661,CN1CC=C(c2ccc(-c3cc(C#C[Si](C)(C)C)cc(-c4cc(N5CCN(C)CC5)cs4)c3)cc2)CC1,HKFWELWLBPPERO-UHFFFAOYSA-N
-rxn:5:180092:225454:226662,CN1CC=C(c2ccc(-c3cc(C#C[Si](C)(C)C)cc(-c4ccc(N5CCN(C)CC5)s4)c3)cc2)CC1,FTMZELSRSZYUTF-UHFFFAOYSA-N
-rxn:5:180204:225868:225652,CC1CCCN(c2cncc(-c3ccc(OC4CCOCC4)c(-c4ccc(N5CCOCC5)c(F)c4)c3)c2)C1,ICWNZRCRSPHGMD-UHFFFAOYSA-N
-rxn:5:180421:226364:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(CC2CCCCC2)cc1-c1ccc(N2CCCCC2)nc1,HSXVIHGHKZVEEE-UHFFFAOYSA-N
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-rxn:5:180662:227505:222998,COC(=O)C1=Cc2cc(-c3cc(F)cc(C4CCCNC4)c3)cc(-c3ccc(/C=C/[N+](=O)[O-])cc3)c2OC1,NEILIZFNWCFHNM-CSKARUKUSA-N
-rxn:5:181623:225832:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(C2OCCO2)c(-c2c(C)nn(C3CCCCO3)c2C)c1,NNPOHVOGFVHUSH-UHFFFAOYSA-N
-rxn:5:181628:225832:222981,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2ccnc(NC3CCCCC3)c2)c(C2OCCO2)c1,YBTCBNSRQADGIJ-UHFFFAOYSA-N
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-rxn:5:181906:225832:227611,Cc1ccc(-c2c(C)nn(C3CCCCO3)c2C)c(C2OCCO2)c1-c1ccnn1C1CCCCO1,UNHIDQFCSDZBJH-UHFFFAOYSA-N
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-rxn:5:181908:222957:222985,Cc1cc(-c2cc(C)c(C3OCCO3)cc2-c2ccc(C3CCCNC3)nc2C)cc(C2CCCNC2)c1,VGZTXVIVBZWNEO-UHFFFAOYSA-N
-rxn:5:181908:222989:226652,Cc1cc(-c2cc(C3OCCO3)c(C)cc2-c2ccc(N3CCNCC3)cc2C)n(C2CCCCO2)n1,IRWWXTACZUBCNN-UHFFFAOYSA-N
-rxn:5:182010:226174:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(C2CCOCC2)c(-c2ccc(C3CCCCC3)nc2)c1,VFBAFRJMEGVRQH-UHFFFAOYSA-N
-rxn:5:182011:226197:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(C2CCOCC2)ccc1-c1ccc(C2CCCOC2)cc1,FZVPIIFSVMWNDD-UHFFFAOYSA-N
-rxn:5:183228:222990:222990,CC1(C)CCc2cc(-c3ccc(N4CCC(O)CC4)cc3)cc(-c3ccc(N4CCC(O)CC4)cc3)c2O1,IGVOZTUZCYWWPI-UHFFFAOYSA-N
-rxn:5:183228:222990:222991,CC1(C)CCc2cc(-c3ccc(N4CCC(O)CC4)cc3)cc(-c3ccc(N4CCCC(O)C4)cc3)c2O1,QFZVFSXYQCGKIR-UHFFFAOYSA-N
-rxn:5:183228:222990:222994,CC1(C)CCc2cc(-c3ccc(N4CCC(O)CC4)cc3)cc(-c3cccc(N4CCC(O)CC4)c3)c2O1,NICHORSQQGIOOR-UHFFFAOYSA-N
-rxn:5:183228:222991:222990,CC1(C)CCc2cc(-c3ccc(N4CCCC(O)C4)cc3)cc(-c3ccc(N4CCC(O)CC4)cc3)c2O1,IJCTURYYMDCTMH-UHFFFAOYSA-N
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-rxn:5:183228:222991:222992,CC1(C)CCc2cc(-c3ccc(N4CCCC(O)C4)cc3)cc(-c3ccc(N4CCCCC4O)cc3)c2O1,VSIKCJZQUREZON-UHFFFAOYSA-N
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-rxn:5:183228:222992:222991,CC1(C)CCc2cc(-c3ccc(N4CCCCC4O)cc3)cc(-c3ccc(N4CCCC(O)C4)cc3)c2O1,WRPGFZIFCIEPPQ-UHFFFAOYSA-N
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-rxn:5:183228:222994:222991,CC1(C)CCc2cc(-c3cccc(N4CCC(O)CC4)c3)cc(-c3ccc(N4CCCC(O)C4)cc3)c2O1,IDEQHDMTOLSDQE-UHFFFAOYSA-N
-rxn:5:183228:222995:222992,CC1(C)CCc2cc(-c3cccc(N4CCCC(O)C4)c3)cc(-c3ccc(N4CCCCC4O)cc3)c2O1,KQZGELMSGOZYPP-UHFFFAOYSA-N
-rxn:5:188787:223001:223062,O=[N+]([O-])c1cc(-c2cc(C3CCCNC3)ccc2F)c(-c2cnc(C3CCNCC3)cc2F)cc1OC1CC1,LGYULWBYUIZYKA-UHFFFAOYSA-N
-rxn:5:188787:223006:223142,O=[N+]([O-])c1cc(-c2ccc(F)c(C3CCNCC3)c2)c(-c2ccc(C3CCCNC3)nc2)cc1OC1CC1,UGLBNRZLCWRVSE-UHFFFAOYSA-N
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-rxn:5:188787:223134:223008,O=[N+]([O-])c1cc(-c2cnccc2C2CCCNC2)c(-c2cc(C3CCNCC3)ccc2F)cc1OC1CC1,KKRHPSMYVMUFQI-UHFFFAOYSA-N
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-rxn:5:188930:223008:223135,COC(=O)c1cc(S(N)(=O)=O)c(-c2cc(C3CCNCC3)ccc2F)cc1-c1cccnc1C1CCCNC1,VOZMBQTXPVOHNH-UHFFFAOYSA-N
-rxn:5:188930:223062:227377,COC(=O)c1cc(S(N)(=O)=O)c(-c2cnc(C3CCNCC3)cc2F)cc1-c1cncnc1C1CCCC1,DRODGJCBUUNHAN-UHFFFAOYSA-N
-rxn:5:188930:226438:223135,COC(=O)c1cc(S(N)(=O)=O)c(-c2cnc(C3CCCC3)cc2F)cc1-c1cccnc1C1CCCNC1,FXODIBRSQDBGAK-UHFFFAOYSA-N
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-rxn:5:188931:225924:227073,COC(=O)c1cc(-c2ccc(S(=O)(=O)N(C)C)cc2C)cc(S(N)(=O)=O)c1-c1cc(OC)cc(C2CC2)c1,PUARUIYVDWBZQP-UHFFFAOYSA-N
-rxn:5:189207:228214:225656,CC1CCCCN1c1cncc(-c2ccc(-c3cnc(C4CC4)cc3F)cc2C(=O)ON2C(=O)CCC2=O)c1,KFPKWTSRACXBDA-UHFFFAOYSA-N
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-rxn:5:189208:227703:225640,COC(=O)c1cc(-c2ccc(C(=O)ON3C(=O)CCC3=O)c(-c3ccnc(N4CCCCC4C)c3)c2)cnc1F,BVHYSDHSNUUIMC-UHFFFAOYSA-N
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-rxn:5:189209:226438:228307,CON(C)c1cc(-c2cc(C(=O)ON3C(=O)CCC3=O)cc(-c3cnc(C4CCCC4)cc3F)c2)ccn1,HQGFUIHANMJARD-UHFFFAOYSA-N
-rxn:5:189209:227680:226444,Cc1nc(C2CCCO2)ccc1-c1cc(C(=O)ON2C(=O)CCC2=O)cc(-c2cccc3c2OC(F)(F)O3)c1,YUVVNCQPKLOPSG-UHFFFAOYSA-N
-rxn:5:189209:228229:226174,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccc(C3CCCCC3)nc2)cc(-c2ccn(C3CC3)c(=O)c2)c1,ZUFKHYSNEVHYND-UHFFFAOYSA-N
-rxn:5:189211:227283:227419,N#Cc1cc(-c2cccc(C(=O)ON3C(=O)CCC3=O)c2-c2ccc(C3CCC3)nc2F)cc(C2CC2)n1,SQECECIHYUMNHY-UHFFFAOYSA-N
-rxn:5:189211:228696:223061,COCc1ccc(-c2cccc(C(=O)ON3C(=O)CCC3=O)c2-c2cc(C3CCNCC3)ncc2F)cn1,APLRWXQLSPFUOP-UHFFFAOYSA-N
-rxn:5:189212:227283:227408,N#Cc1cc(-c2cc(C(=O)ON3C(=O)CCC3=O)ccc2-c2cc(C3CCC3)ncc2F)cc(C2CC2)n1,JXQPQLWPLZEPEC-UHFFFAOYSA-N
-rxn:5:189212:227408:227283,N#Cc1cc(-c2ccc(C(=O)ON3C(=O)CCC3=O)cc2-c2cc(C3CCC3)ncc2F)cc(C2CC2)n1,KTXXCFMNECAQAU-UHFFFAOYSA-N
-rxn:5:189212:228218:225653,CC1CCCCN1c1ccc(-c2ccc(C(=O)ON3C(=O)CCC3=O)cc2-c2cc(C3CC3)ncc2F)cn1,GJUFELJGNQOZBY-UHFFFAOYSA-N
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-rxn:5:189319:225868:225641,CC1CCCN(c2cc(-c3ccc(-c4ccc(N5CCOCC5)c(F)c4)c(C(=O)OC(C)(C)C)n3)ccn2)C1,YJWBYMMUWFMJER-UHFFFAOYSA-N
-rxn:5:189323:225849:225831,Cc1cc(-c2cc(C(=O)OC(C)(C)C)c(-c3cnc(N4CCCCC4)cc3F)cn2)cnc1N1CCOCC1,WRBCAKDMHTYGIV-UHFFFAOYSA-N
-rxn:5:189448:227298:222998,COC1CN(C(=O)c2ccc(-c3cc(F)ccc3CN(C)C)c(-c3cc(F)cc(C4CCCNC4)c3)c2)C1,BQGSSPMJDBSSJP-UHFFFAOYSA-N
-rxn:5:189449:222998:227298,COC1CN(C(=O)c2cc(-c3cc(F)ccc3CN(C)C)ccc2-c2cc(F)cc(C3CCCNC3)c2)C1,SSPMTXJVRWDBRY-UHFFFAOYSA-N
-rxn:5:189449:227298:222958,COC1CN(C(=O)c2cc(-c3ccc(C)c(C4CCNCC4)c3)ccc2-c2cc(F)ccc2CN(C)C)C1,DYMQQQSDUQOEHG-UHFFFAOYSA-N
-rxn:5:189449:227298:222998,COC1CN(C(=O)c2cc(-c3cc(F)cc(C4CCCNC4)c3)ccc2-c2cc(F)ccc2CN(C)C)C1,MLHUHQVBMISVTR-UHFFFAOYSA-N
-rxn:5:189449:227298:223004,COC1CN(C(=O)c2cc(-c3ccc(C4CCNCC4)c(F)c3)ccc2-c2cc(F)ccc2CN(C)C)C1,BRBSFWUFUYDCHQ-UHFFFAOYSA-N
-rxn:5:189449:227298:223006,COC1CN(C(=O)c2cc(-c3ccc(F)c(C4CCNCC4)c3)ccc2-c2cc(F)ccc2CN(C)C)C1,JKMVQFRXSCHVCN-UHFFFAOYSA-N
-rxn:5:189449:227298:223008,COC1CN(C(=O)c2cc(-c3cc(C4CCNCC4)ccc3F)ccc2-c2cc(F)ccc2CN(C)C)C1,SPDUJYOHTQAAOL-UHFFFAOYSA-N
-rxn:5:189449:227298:223063,COC1CN(C(=O)c2cc(-c3cc(F)nc(C4CCNCC4)c3)ccc2-c2cc(F)ccc2CN(C)C)C1,OWZGVBYOGCSWMP-UHFFFAOYSA-N
-rxn:5:189449:227303:222998,COC1CN(C(=O)c2cc(-c3cc(F)cc(C4CCCNC4)c3)ccc2-c2cccc(CN(C)C)c2F)C1,WLEYUGFOOKKWCI-UHFFFAOYSA-N
-rxn:5:189540:225600:226898,COC1CN(Cc2cc(-c3cccnc3OC3CCCCC3)ccc2-c2cn(S(=O)(=O)N(C)C)nc2C)C1,YRTDYVXXSLFZJS-UHFFFAOYSA-N
-rxn:5:189540:225600:227803,COC1CN(Cc2cc(-c3cccnc3OC3CCCCC3)ccc2-c2ccnn2S(=O)(=O)N(C)C)C1,PJKLYCOCCNFGJQ-UHFFFAOYSA-N
-rxn:5:189540:225613:227803,COC1CN(Cc2cc(-c3ccnc(OC4CCCCC4)c3)ccc2-c2ccnn2S(=O)(=O)N(C)C)C1,LOJYIOGHNUABRZ-UHFFFAOYSA-N
-rxn:5:189540:225684:227803,COC1CN(Cc2cc(-c3ccc(C4CCOCC4)nc3C)ccc2-c2ccnn2S(=O)(=O)N(C)C)C1,CARFCPLFYLTPOQ-UHFFFAOYSA-N
-rxn:5:189540:226139:226898,COC1CN(Cc2cc(-c3cc(C4CC4)cnc3C3CC3)ccc2-c2cn(S(=O)(=O)N(C)C)nc2C)C1,OJWBGNHIKNOLMK-UHFFFAOYSA-N
-rxn:5:189540:226181:226898,COC1CN(Cc2cc(-c3ccc(C4=CCCCC4)nc3)ccc2-c2cn(S(=O)(=O)N(C)C)nc2C)C1,HFINZBKBUALWLQ-UHFFFAOYSA-N
-rxn:5:189540:226324:226898,COC1CN(Cc2cc(-c3cccnc3OC3CCCC3)ccc2-c2cn(S(=O)(=O)N(C)C)nc2C)C1,JACPCMBKOIIBCI-UHFFFAOYSA-N
-rxn:5:189540:227803:225683,COC1CN(Cc2cc(-c3ccnn3S(=O)(=O)N(C)C)ccc2-c2ccc(C3CCCOC3)nc2C)C1,LOEZPXFETQOSKN-UHFFFAOYSA-N
-rxn:5:189665:227506:222998,O=[N+]([O-])/C=C/c1cccc(-c2cnc(OCC3CCOCC3)c(-c3cc(F)cc(C4CCCNC4)c3)c2)c1,VPJXANSBFXCERD-UXBLZVDNSA-N
-rxn:5:189665:227507:222998,O=[N+]([O-])C=Cc1cccc(-c2cnc(OCC3CCOCC3)c(-c3cc(F)cc(C4CCCNC4)c3)c2)c1,VPJXANSBFXCERD-UHFFFAOYSA-N
-rxn:5:189673:225814:226685,CC(C)(C)S(=O)/N=C/c1ccc(-c2cccc(C3(C(F)(F)F)CC3)c2)cc1-c1cnc(C2CCOCC2)nc1,XPOLJHKOJDXVMD-ODNPBWNPSA-N
-rxn:5:189674:226338:226414,CC(C)(C)S(=O)/N=C/c1ccc(-c2ccc(C3=NCCCO3)cc2)cc1-c1ccnc(OC2CCCC2)c1,JJYZUGIYJNDFRD-KEIPNQJHSA-N
-rxn:5:189718:226751:227125,Cc1cc(OC(F)(F)F)ccc1-c1cc(OC2CCOCC2)c([N+](=O)[O-])cc1-c1ccccc1C1CCOC1,KMLKJECANXIBNW-UHFFFAOYSA-N
-rxn:5:189829:226155:227802,COc1c(-c2cc(C(C)=O)cc(C3CC3)c2)cc(C(=O)N2CCCC2)cc1-c1c(F)c(F)c(F)c(F)c1F,UAJIFWLFHBNUNQ-UHFFFAOYSA-N
-rxn:5:189910:225834:226366,Fc1cnc(N2CCCCC2)cc1-c1ccc(-c2ccnc(N3CCCCC3)c2)c(CCN2CCOCC2)c1,SLMBHXQKEBRYLM-UHFFFAOYSA-N
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-rxn:5:190000:222404:227534,CCOc1cc(F)c(-c2ccc(CC(=O)N3CCCCC3)c(-c3ccc(C4NC(=O)NC4=O)cc3)c2)c(F)c1,AHFDJMAEZIDHJB-UHFFFAOYSA-N
-rxn:5:190001:226843:227795,O=C(Cc1ccc(-c2ccc(F)c([N+](=O)[O-])c2F)c(-c2ccc(C(=O)C(F)(F)F)nc2)c1)N1CCCCC1,WYKAULHYGLXTRN-UHFFFAOYSA-N
-rxn:5:190001:228677:225833,CC(C)Cn1cc(-c2cc(CC(=O)N3CCCCC3)ccc2-c2ccnc(N3CCCCC3)c2F)cn1,YPIIBURVTIAGLI-UHFFFAOYSA-N
-rxn:5:190131:226059:228567,CCC(C)c1sccc1-c1cc(C(=O)N2CCCCC2)cc(-c2ccc(C(C)C)cc2C(C)C)c1OC,GFRDPIJZQVKLAF-UHFFFAOYSA-N
-rxn:5:190194:223388:222956,COC1CCN(Cc2cccc(-c3ccc(S(=O)(=O)O)cc3)c2-c2ccc(C)cc2C2CCCNC2)CC1,BHRUHUISVFWNNL-UHFFFAOYSA-N
-rxn:5:190194:223388:225683,COC1CCN(Cc2cccc(-c3ccc(S(=O)(=O)O)cc3)c2-c2ccc(C3CCCOC3)nc2C)CC1,JHZFCWUKCCJQAN-UHFFFAOYSA-N
-rxn:5:190194:225633:228322,CCOc1ncc(-c2c(CN3CCC(OC)CC3)cccc2-c2ccc(N3CCCCCC3)nc2)cc1F,JLQNMYSSQAWXHT-UHFFFAOYSA-N
-rxn:5:190194:225633:228323,CCOc1nccc(-c2c(CN3CCC(OC)CC3)cccc2-c2ccc(N3CCCCCC3)nc2)c1F,XLMUVQJFOJCXJO-UHFFFAOYSA-N
-rxn:5:190194:225833:228120,CCOc1ncc(C)cc1-c1c(CN2CCC(OC)CC2)cccc1-c1ccnc(N2CCCCC2)c1F,YBQILMDJZSWPQC-UHFFFAOYSA-N
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-rxn:5:190194:225833:228135,CCOc1cc(C)ncc1-c1c(CN2CCC(OC)CC2)cccc1-c1ccnc(N2CCCCC2)c1F,KVNWUAQPUOOASA-UHFFFAOYSA-N
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-rxn:5:190194:226662:227503,COC1CCN(Cc2cccc(-c3ccc(N4CCN(C)CC4)s3)c2-c2cc(OC(C)C)ncc2F)CC1,YLIHGIQQULEGSB-UHFFFAOYSA-N
-rxn:5:190194:226662:227978,COC1CCN(Cc2cccc(-c3ccc(N4CCN(C)CC4)s3)c2-c2cc(C(C)C)ccc2F)CC1,JZTVLUMIOYHYQK-UHFFFAOYSA-N
-rxn:5:190194:226662:227999,COC1CCN(Cc2cccc(-c3ccc(N4CCN(C)CC4)s3)c2-c2ccc(C(C)C)cc2F)CC1,SORWUINPMDQUAY-UHFFFAOYSA-N
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-rxn:5:190194:226662:228218,COC1CCN(Cc2cccc(-c3ccc(N4CCN(C)CC4)s3)c2-c2cc(C3CC3)ncc2F)CC1,YALLOPVVGCPYAH-UHFFFAOYSA-N
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-rxn:5:190194:228135:225833,CCOc1cc(C)ncc1-c1cccc(CN2CCC(OC)CC2)c1-c1ccnc(N2CCCCC2)c1F,YIMXRHQRAJJISN-UHFFFAOYSA-N
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-rxn:5:190194:228695:225833,COC1CCN(Cc2cccc(-c3csc(CN(C)C)c3)c2-c2ccnc(N3CCCCC3)c2F)CC1,TUDVXOVYPHMUOV-UHFFFAOYSA-N
-rxn:5:190194:228704:225978,CCn1nc(C)c(-c2cccc(CN3CCC(OC)CC3)c2-c2ccc(N3CCOCC3)nc2F)c1C,KJMRFMASVVWJOG-UHFFFAOYSA-N
-rxn:5:190195:223065:222417,CC(C)c1[nH]c(=O)ncc1-c1cc(CN(C)C2CCOCC2)ccc1-c1ccc(N2CCNCC2)cc1F,NMECTXWGMNJKTE-UHFFFAOYSA-N
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-rxn:5:190195:225886:225499,CN(Cc1ccc(-c2ccc3c(ccn3S(C)(=O)=O)c2)c(-c2ccc(C3CCCCC3)cc2F)c1)C1CCOCC1,DUUPOAUBXKXAJC-UHFFFAOYSA-N
-rxn:5:190196:226364:223113,CN(Cc1ccc(-c2ccc(N3CCCCC3)nc2)cc1-c1ccc2c(c1)C(C)(C)C(=O)N2)C1CCOCC1,JQGFYHNFDOSFHQ-UHFFFAOYSA-N
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-rxn:5:190201:227684:223113,CC1CN(CCc2cc(-c3cnn(CC4OCCO4)c3)ccc2-c2ccc3c(c2)C(C)(C)C(=O)N3)CCO1,BZXAEOAOESZXSI-UHFFFAOYSA-N
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-rxn:5:190421:225939:225818,CC(C)c1cc(-c2ccc(-c3ccc(C=C4SC(=S)N(c5cccc(-c6ccc(C(F)(F)F)cc6C6CC6)c5)C4=O)o3)cc2)cnc1C(F)(F)F,UGLJFJIEYQWZJP-UHFFFAOYSA-N
-rxn:5:190484:228487:227041,CCOc1cc(C)c(-c2ccccc2C2CCN(C(=O)c3cccc(-c4cccc(F)c4[N+](=O)[O-])c3)CCS2(=O)=O)cc1C,NAWWOSQYIYVFMM-UHFFFAOYSA-N
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-rxn:5:190743:225881:223006,CCOC(=O)c1cnc2c(C)c(-c3ccc(C4CCOCC4)nc3F)ccc2c1-c1ccc(F)c(C2CCNCC2)c1,YBROSKMIWQRZLS-UHFFFAOYSA-N
-rxn:5:190744:225849:225633,CCOC(=O)c1cnc2c(-c3cnc(N4CCCCC4)cc3F)c(C)ccc2c1-c1ccc(N2CCCCCC2)nc1,HGZZBEGCBPQQGO-UHFFFAOYSA-N
-rxn:5:190744:225976:223056,CCOC(=O)c1cnc2c(-c3ccnc(N4CCOCC4)c3F)c(C)ccc2c1-c1ccc(N2CCC(O)CC2)nc1,MUPBSBGCSMCOHH-UHFFFAOYSA-N
-rxn:5:190744:225978:223056,CCOC(=O)c1cnc2c(-c3ccc(N4CCOCC4)nc3F)c(C)ccc2c1-c1ccc(N2CCC(O)CC2)nc1,QYYYMOXLVRYRJO-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:5:190798:225450:226058,CC(C)c1cccc(C(C)C)c1-c1ccc2c(c1)c(-c1ccc(C(=O)C3CCCC3)cc1)cn2C(=O)OC(C)(C)C,RJLFCOGFCKELLK-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:5:190833:227820:227052,CC(C)(C)OC(=O)N1Cc2c(-c3ccc(SC(C)(C)C)cc3)ccc(-c3ccc(C(C)(C)C)cc3)c2C1=O,ZMAXWLQKMJXPKZ-UHFFFAOYSA-N
-rxn:5:190859:226064:227808,CC(C)(C)OC(=O)N1CCc2c1ccc(-c1ccc(C3CCCCC3)cc1)c2-c1ccc2c(c1)CCCC2,JQDSSKJUKMLALF-UHFFFAOYSA-N
-rxn:5:190993:227316:223062,CC(C)Cc1cc(-c2ccc3c(c2)CN(CCc2ccc(-c4cnc(C5CCNCC5)cc4F)cc2)C(=O)CO3)cc(F)n1,FBGYKZJYSZWSAM-UHFFFAOYSA-N
-rxn:5:190998:228653:226679,COC(=O)c1cc(-c2cnc(N3CCCC3)cc2F)ccc1N1Cc2cc(-c3cnn4c3CCCC4)ccc2OCC1=O,VSVDVJFZJUNELB-UHFFFAOYSA-N
-rxn:5:191026:225946:226916,COC(=O)C1=CN(c2ccc(C)c(-c3cccc(C4=CCCC4)c3)c2)c2cc(-c3cc(C(C)=O)cc(C(F)(F)F)c3)ccc2S1(=O)=O,WILXWAOJOVZSFN-UHFFFAOYSA-N
-rxn:5:191026:227076:227971,CCC(C)c1ccc(F)c(-c2ccc3c(c2)N(c2ccc(C)c(-c4cnccc4C(C)(C)C)c2)C=C(C(=O)OC)S3(=O)=O)c1,KPNGJMMZDLGGEM-UHFFFAOYSA-N
-rxn:5:191026:227810:227670,CCC(C)c1ccc(-c2ccc3c(c2)N(c2ccc(C)c(-c4cc(F)cc(C(C)(F)F)c4)c2)C=C(C(=O)OC)S3(=O)=O)cc1,PHVKYAJTIQWDAW-UHFFFAOYSA-N
-rxn:5:191026:227946:227591,COC(=O)C1=CN(c2ccc(C)c(-c3ccc(C(F)F)cc3OC)c2)c2cc(-c3ccc(C(C)(C)C)nc3)ccc2S1(=O)=O,DPMAFJDXIGXPAN-UHFFFAOYSA-N
-rxn:5:191026:228177:227591,COCc1ccc(F)cc1-c1ccc2c(c1)N(c1ccc(C)c(-c3ccc(C(F)F)cc3OC)c1)C=C(C(=O)OC)S2(=O)=O,SVAVIAJEXQMCAN-UHFFFAOYSA-N
-rxn:5:191049:223065:228653,COc1cc(N2Cc3cc(-c4ccc(N5CCNCC5)cc4F)ccc3OCC2=O)c(OC)cc1-c1cnn2c1CCCC2,VHQXAUPFXXOOKP-UHFFFAOYSA-N
-rxn:5:191049:225784:223064,COc1cc(N2Cc3cc(-c4ccc(CN5CCOCC5)nc4)ccc3OCC2=O)c(OC)cc1-c1ccc(C2CCNCC2)nc1F,YFVXHQJLDGXIGL-UHFFFAOYSA-N
-rxn:5:191049:225976:226645,COc1cc(N2Cc3cc(-c4ccnc(N5CCOCC5)c4F)ccc3OCC2=O)c(OC)cc1-c1ccnc(N2CCOCC2)c1,PMYFLFZDGVDMQW-UHFFFAOYSA-N
-rxn:5:191049:226679:225834,COc1cc(N2Cc3cc(-c4cnc(N5CCCC5)cc4F)ccc3OCC2=O)c(OC)cc1-c1cc(N2CCCCC2)ncc1F,LSPDNYDVDSDGLT-UHFFFAOYSA-N
-rxn:5:192234:225394:225449,COc1c(-c2cccc(OC3CCCCC3)c2)cc(-c2cc(C3CCC3)cc(C3CC3)c2)cc1S(N)(=O)=O,PYJWHOITYWVMDZ-UHFFFAOYSA-N
-rxn:5:193226:223065:227491,O=C(c1ccc(-c2ccc(N3CCNCC3)cc2F)c(-c2cnc(OC3CCC3)nc2)c1)N1CCOCC1,XUVAOCIZDRNXOG-UHFFFAOYSA-N
-rxn:5:193226:225803:223006,O=C(c1ccc(-c2ccnc(OC3CCOCC3)c2)c(-c2ccc(F)c(C3CCNCC3)c2)c1)N1CCOCC1,QJESPTQXBPRWPH-UHFFFAOYSA-N
-rxn:5:193227:227316:226571,CC(C)Cc1cc(-c2cc(C(=O)N3CCOCC3)cc(-c3cnn(CC4CCOCC4)c3)c2)cc(F)n1,UCLIMQWZBARDMA-UHFFFAOYSA-N
-rxn:5:193230:223006:226571,O=C(c1ccc(-c2ccc(F)c(C3CCNCC3)c2)cc1-c1cnn(CC2CCOCC2)c1)N1CCOCC1,UZOJHYRHFMPPLD-UHFFFAOYSA-N
-rxn:5:193230:223062:227316,CC(C)Cc1cc(-c2cc(-c3cnc(C4CCNCC4)cc3F)ccc2C(=O)N2CCOCC2)cc(F)n1,IEZJHRMQZSBVKE-UHFFFAOYSA-N
-rxn:5:193230:226583:227316,CC(C)Cc1cc(-c2cc(-c3ccc(CN4CCOCC4)s3)ccc2C(=O)N2CCOCC2)cc(F)n1,WJSYIZJLMGKZKW-UHFFFAOYSA-N
-rxn:5:193230:226664:225982,O=C(c1ccc(-c2cc(N3CCCC3)ncc2F)cc1-c1cnc(N2CCOCC2)cc1F)N1CCOCC1,ZIUHANRIFPFBEB-UHFFFAOYSA-N
-rxn:5:193230:226864:225515,CC1(C)COc2cccc(-c3cc(-c4cc(F)c(OC(F)F)c(F)c4)ccc3C(=O)N3CCOCC3)c2OC1,FKGOYBVUUXTMTO-UHFFFAOYSA-N
-rxn:5:193382:222405:223135,O=C1NC(=O)C(c2cccc(-c3ccc(S(=O)(=O)N4CCOCC4)c(-c4cccnc4C4CCCNC4)c3)c2)N1,UEBWCMNHAFJMGS-UHFFFAOYSA-N
-rxn:5:193382:222958:222958,Cc1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3ccc(C)c(C4CCNCC4)c3)c2)cc1C1CCNCC1,UGZPWWAIFWIUTN-UHFFFAOYSA-N
-rxn:5:193382:222958:223311,Cc1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3cccc(C4CNC4)c3)c2)cc1C1CCNCC1,QGDYZJRYRYCXTQ-UHFFFAOYSA-N
-rxn:5:193382:222958:223312,Cc1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3ccc(C4CNC4)cc3)c2)cc1C1CCNCC1,ICYJKILAKKWFFG-UHFFFAOYSA-N
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-rxn:5:193382:222960:222996,Cc1cc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3ccc(F)cc3C3CCCNC3)c2)cc(C2CCNCC2)c1,YRWTWVFYCOYBHC-UHFFFAOYSA-N
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-rxn:5:193382:222985:225661,Cc1cc(N2CCOCC2)ccc1-c1cc(-c2ccc(C3CCCNC3)nc2C)ccc1S(=O)(=O)N1CCOCC1,JMRQYEJDPJFDBA-UHFFFAOYSA-N
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-rxn:5:193382:222986:226335,Cc1cc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3ccc(C4COC4)c(C#N)c3)c2)cc(C2CCCNC2)n1,ODNQGATWAVFMQG-UHFFFAOYSA-N
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-rxn:5:193382:222988:226335,Cc1cc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3ccc(C4COC4)c(C#N)c3)c2)cc(C2CCNCC2)n1,RKNTZSOMRNYAGV-UHFFFAOYSA-N
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-rxn:5:193460:226037:227306,COc1c(C(F)(F)F)ccc(-c2cccc(C(=O)N3CCCCC3)c2-c2ccc(OC(C)C)nc2C)c1F,RKDMISUTZNUMKA-UHFFFAOYSA-N
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-rxn:5:193652:225583:223065,O=C1OC(c2ccc(-c3cccc(C(=O)N4CCCC4)c3)cc2)=NC1=Cc1ccc(-c2ccc(N3CCNCC3)cc2F)cc1,HAUZNUXPPSNQIY-UHFFFAOYSA-N
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-rxn:5:193756:226324:227086,CC1CCCCN1C(=O)c1ccc(-c2cccnc2OC2CCCC2)cc1-c1ccnc(C2CCCC2)c1,MXCRKNORGMQSSO-UHFFFAOYSA-N
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-rxn:5:193756:226374:226177,CC1CCCCN1C(=O)c1ccc(-c2cncnc2C2CCCCC2)cc1-c1ccnc(C2CCCCC2)c1,KAFINWTVSDQABJ-UHFFFAOYSA-N
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-rxn:5:193756:226679:227512,COC(=O)c1cc(-c2cc(-c3cnc(N4CCCC4)cc3F)ccc2C(=O)N2CCCCC2C)c(C)cn1,RNBKWWFGYPNKPG-UHFFFAOYSA-N
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-rxn:4:183928:224970,CC(c1ccc(-c2ccc(S[Si](C)(C)C(C)(C)C)cc2)cc1)N(C(=O)OC(C)(C)C)C1CC1,YZZFLFHTDQOBJX-UHFFFAOYSA-N
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-rxn:4:185428:224593,CC1CCN(Cc2cc(-c3cc(C(C)(C)C)ccc3OCC(=O)N3CCC(C)CC3)ccc2F)CC1,CKBMIJMHMPFHSR-UHFFFAOYSA-N
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-rxn:4:185438:223998,CC1CCN(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCC(O[Si](C)(C)C(C)(C)C)CC4)cc3)cc2F)CC1,QUIZZXTVSNBCKQ-UHFFFAOYSA-N
-rxn:4:185441:223184,CC(C)(C)OC(=O)N1CCC(c2ccc(Cl)cc2)(c2ccc(-c3cnc(N4CCNCC4)nc3)cc2)CC1,LOWJQJNWPOCLHX-UHFFFAOYSA-N
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-rxn:4:186477:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1cc(F)c(OCC2CCC2)c([N+](=O)[O-])c1,SJOIDPGTUWVUQR-UHFFFAOYSA-N
-rxn:4:186646:223559,COc1ccccc1Oc1ccc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)cc1[N+](=O)[O-],BKXHJGQSMYZRSF-UHFFFAOYSA-N
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-rxn:4:186684:223972,CC1CCCCN1c1ccc(-c2ccc(OCC(=O)N3CCCC3)cc2)c(C(F)(F)F)c1,CBRUBMHXFIPKKP-UHFFFAOYSA-N
-rxn:4:186706:224258,CC1CCCCN1C(=O)c1ccc(-c2cc(Cl)ccc2OCC(=O)N2CCCC2)c(Cl)c1,OSPOEKFFEGDHJC-UHFFFAOYSA-N
-rxn:4:186736:223845,COC(=O)c1ccc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCN(C)CC2)c(CN2CC(F)(F)C2)c1,KVNJVPCVKOQQMZ-UHFFFAOYSA-N
-rxn:4:186736:223958,CCN1CCN(C(=O)c2ccc(-c3ccc(C(=O)OC)cc3CN3CC(F)(F)C3)cc2F)CC1,SRUVYJPQNOYVRX-UHFFFAOYSA-N
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-rxn:4:186873:224187,Fc1cc(-c2ccc(OCCN3CCCCC3)cc2F)ccc1OCCN1CCOCC1,JTDRLSXVNALTJJ-UHFFFAOYSA-N
-rxn:4:186977:223784,CCN1CCN(CCOc2ccc(-c3ccc(OCCN4CCC(=O)CC4)c(F)c3)cc2F)CC1,QXTFYJPEYALXBL-UHFFFAOYSA-N
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-rxn:4:187064:223844,CCOc1cc(S(=O)(=O)N2CCCC2)ccc1-c1ccc(S(=O)(=O)N2CCCC2)cc1C(F)(F)F,XDFIMQLVYBQFIF-UHFFFAOYSA-N
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-rxn:4:187225:225733,CCCCOc1cc(-c2ccc(C(=O)N3CCC(C)CC3)cc2OC(F)F)c(F)cc1F,OWZBIPMSEUYKAL-UHFFFAOYSA-N
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-rxn:4:187389:222651,Cc1cc(CC(=O)N2CCCC(C(F)(F)F)C2)ccc1-c1cc(C(=O)NC2CCCCC2)ccc1F,JODBDIAYFIOLLQ-UHFFFAOYSA-N
-rxn:4:187406:223572,Cc1cc(-c2ccc(S(=O)(=O)N3CCC(C)CC3)c3ccccc23)ccc1OCC(=O)N1CCC(C)CC1,XXRSNCXVYCFDSN-UHFFFAOYSA-N
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-rxn:4:187433:224599,COC(=O)c1ccc(-c2cc(C(=O)C3CCCCC3)ccc2F)c(CN2CCCC(C)C2)c1,QSNZDXSYZUTJAF-UHFFFAOYSA-N
-rxn:4:187434:222944,COC(=O)c1ccc(-c2ccc(S(=O)(=O)NC3CC3)cc2F)c(CN2CCCCC2C)c1,FGYNTHUDMHMXOR-UHFFFAOYSA-N
-rxn:4:187437:223493,Cc1ccc(C2CN(C(=O)OC(C)(C)C)C2)c(-c2cc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)ccc2C)c1,XIQMESZNQIIEOA-UHFFFAOYSA-N
-rxn:4:187437:224710,CCCCOc1cc(-c2cc(C)ccc2C2CN(C(=O)OC(C)(C)C)C2)cc(C(F)(F)F)c1,MHBVWGJHXSPKKZ-UHFFFAOYSA-N
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-rxn:4:187634:227517,O=C(C1CCCCC1)N(c1ccc(-c2ccc(OC3COC3)nc2)cc1)C1C=CS(=O)(=O)C1,PDPMFHQXANDCRO-UHFFFAOYSA-N
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-rxn:4:187847:225567,Cc1cc(-c2cc3c(cc2C(F)F)N(C(=O)OC(C)(C)C)CC3)ccc1C(=O)OC(C)C,ZXWMYSDNBHNQIU-UHFFFAOYSA-N
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-rxn:4:187920:222702,CCOc1cc(S(=O)(=O)N2CCc3ccccc3C2)ccc1-c1cc(C2CCCNC2)ccc1C(F)(F)F,FBHBGAPNFXCHBH-UHFFFAOYSA-N
-rxn:4:187933:223998,CC1CCN(C(=O)COc2ccc3ccccc3c2-c2ccc(S(=O)(=O)N3CCC(C)CC3)c(F)c2)CC1,GNNISROYCSVLMA-UHFFFAOYSA-N
-rxn:4:187933:224101,CC1CCN(CCOc2cccc(-c3c(OCC(=O)N4CCC(C)CC4)ccc4ccccc34)c2)CC1,MCMCOIQCGTYQLA-UHFFFAOYSA-N
-rxn:4:187961:223557,COC(=O)Cc1cc2c(n1-c1ccc(-c3c(F)ccc4c3ccn4[Si](C(C)C)(C(C)C)C(C)C)cc1)CC(C)(C)CC2=O,OIEAVNSJGDWMJB-UHFFFAOYSA-N
-rxn:4:187968:222638,CC(NC(=O)OC(C)(C)C)c1cccc(-c2ccc3c(ccn3[Si](C(C)C)(C(C)C)C(C)C)c2)c1,FPABRKUNFWZILG-UHFFFAOYSA-N
-rxn:4:187969:222635,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3cccc([C@H](C)NC(=O)OC(C)(C)C)c3)cccc21,DMASDTJILCIOIZ-QHCPKHFHSA-N
-rxn:4:187970:223637,CC(C)[Si](C(C)C)(C(C)C)n1cc(-c2ccccc2C2CCCN(C(=O)OC(C)(C)C)C2)c2ccccc21,WFBIZORATPTERS-UHFFFAOYSA-N
-rxn:4:188149:222389,O=S(=O)(Oc1cccnc1-c1cc(C2CCNCC2)nc(C2CCNCC2)c1)C(F)(F)F,BZSNDPLATXNUAT-UHFFFAOYSA-N
-rxn:4:188277:223559,COC(=O)c1ccc(C#N)c(F)c1-c1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)OC(C)(C)C,FBNGRQIPHBDLIQ-UHFFFAOYSA-N
-rxn:4:188466:223785,CCN1CCN(CCOc2ccc(-c3cc(F)c([N+](=O)[O-])cc3C(=O)OC)cc2Cl)CC1,GTCXQQCCYYHMCP-UHFFFAOYSA-N
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-rxn:4:189507:224368,CN(C(=O)OC(C)(C)C)c1cc(-c2cc(C(F)(F)F)cc(S(=O)(=O)N3CCC3)c2)cnc1Cl,JFNNSYITZALHPK-UHFFFAOYSA-N
-rxn:4:189677:223712,COc1ccc(-c2cnc(OCC3CCOCC3)c(F)c2)cc1C12CC3CC(CC(C3)C1)C2,JNHVAIMHJQMPPR-UHFFFAOYSA-N
-rxn:4:189700:223557,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc(C(=O)N(C)C4CCS(=O)(=O)C4)o3)c(F)ccc21,JZTDDEKFGGFTFI-UHFFFAOYSA-N
-rxn:4:189835:224374,COc1ccc(S(=O)(=O)N2CCCC2)cc1-c1cc(CN2CCCC2)cc(C(F)(F)F)c1,SLRAKMTVNXFAPJ-UHFFFAOYSA-N
-rxn:4:189922:222588,COC(=O)c1cnc(C2CCOCC2)cc1-c1ccc(OCCN2CCC(O)CC2)c(F)c1,UELXTZFYSAGHEB-UHFFFAOYSA-N
-rxn:4:189931:223951,COC(=O)c1ccc(N2CCOCC2)cc1-c1ccc(OCCN2CCN(C)CC2)c(F)c1,BDHVTBKDYIAEPG-UHFFFAOYSA-N
-rxn:4:189935:224101,COC(=O)c1cc(-c2cccc(OCCN3CCC(C)CC3)c2)ccc1N1CCOCC1,FLCWAOFXIVOIKS-UHFFFAOYSA-N
-rxn:4:190072:224392,Cc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1ccc(Cl)c(C(=O)N2CCCCC2C(F)(F)F)c1,NYCJYGBKVAXDKZ-UHFFFAOYSA-N
-rxn:4:190214:224377,COc1cc(S(=O)(=O)N2CCCCC2)ccc1-c1ccc(S(=O)(=O)N2CCN(C)CC2)cc1,ZFGOGMLIGNOHHL-UHFFFAOYSA-N
-rxn:4:190254:224089,CC1CCN(CCOc2ccc(-c3ccc(CC(=O)N4CCC(C)CC4)cc3)cc2)CC1,FPUHFDXANKEZHL-UHFFFAOYSA-N
-rxn:4:190270:224258,CC1CCCCN1C(=O)Cc1ccc(F)cc1-c1ccc(C(=O)N2CCCCC2C)cc1Cl,INYGOUZUKOECQL-UHFFFAOYSA-N
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-rxn:4:190274:222719,COc1cc(S(=O)(=O)N2CCOCC2)c(C)cc1-c1cc(C2CCCNC2)nc(C(F)(F)F)c1,NNSADJXEUDFHGH-UHFFFAOYSA-N
-rxn:4:190274:223558,COc1cc(S(=O)(=O)N2CCOCC2)c(C)cc1-c1ccc2c(c1)CCN(C(=O)OCc1ccccc1)C2,KRSLCYLSMGRLRH-UHFFFAOYSA-N
-rxn:4:190331:223901,COc1ccc(C(=O)N2CCCCC2C)c(-c2ccc(OCCN3CCC(C)CC3)c(Cl)c2)c1,VHUMCJMJOXZBAM-UHFFFAOYSA-N
-rxn:4:190435:222538,O=C(c1ccc(-c2cc(C3CCCC3)nc(C3CCNCC3)c2)o1)N1CCC(c2ccccc2)S(=O)(=O)CC1,DNLJJQNJWHGFQR-UHFFFAOYSA-N
-rxn:4:190435:222630,O=C(c1ccc(-c2cc(C3CCC3)nc(C3CCNCC3)c2)o1)N1CCC(c2ccccc2)S(=O)(=O)CC1,BKWDWMSBVOTUEZ-UHFFFAOYSA-N
-rxn:4:190547:222389,O=S(=O)(Oc1cc2cccc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)c2cn1)C(F)(F)F,JLCWPCOQBUZFGS-UHFFFAOYSA-N
-rxn:4:190548:222389,O=S(=O)(Oc1ccnc2c(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)cc(Cl)cc12)C(F)(F)F,SBHUTWBPAJOQIV-UHFFFAOYSA-N
-rxn:4:190548:222466,O=S(=O)(Oc1ccnc2c(-c3cc(C4CCCCC4)nc(C4CCNCC4)c3)cc(Cl)cc12)C(F)(F)F,GHBVVPUILOEJRW-UHFFFAOYSA-N
-rxn:4:190548:222538,O=S(=O)(Oc1ccnc2c(-c3cc(C4CCCC4)nc(C4CCNCC4)c3)cc(Cl)cc12)C(F)(F)F,ATVOQZXJZXOFNK-UHFFFAOYSA-N
-rxn:4:190826:224552,CC(C)(C)OC(=O)N1Cc2ccc(-c3cc(F)cc(COC4CCCCC4)c3)cc2C1=O,HGSVPMDCOPVCQL-UHFFFAOYSA-N
-rxn:4:190833:223591,CC(C)(C)OC(=O)N1CCN(c2ccc(F)c(-c3ccc(Cl)c4c3C(=O)N(C(=O)OC(C)(C)C)C4)c2)CC1,DPZPVRNQBRYALC-UHFFFAOYSA-N
-rxn:4:190851:223557,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc4c(c3)N(C(=O)OC(C)(C)C)CC4)c(F)ccc21,HJYHOOJDERAQCP-UHFFFAOYSA-N
-rxn:4:190887:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3cn(C(=O)OC(C)(C)C)c4c(C)cccc34)cc21,IPKSMCMUNSNRJS-UHFFFAOYSA-N
-rxn:4:190894:222602,COC(=O)c1cc(-c2cc(CC(C)C)sc2S(=O)(=O)NC(C)(C)C)cc2c1c(C)cn2C(C)C,ZKURYMPXEMZJPR-UHFFFAOYSA-N
-rxn:4:190926:223592,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc4c(c3)N(C(=O)OC(C)(C)C)CCC4=O)c(Cl)c2)CC1,PKVUFWANOLDSQY-UHFFFAOYSA-N
-rxn:4:190929:222922,CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2=O,CJNOHJQYSZKSCV-UHFFFAOYSA-N
-rxn:4:190930:224484,CC(C)N(C(=O)c1ccccc1-c1cccc2c1CN(C(=O)OC(C)(C)C)CC2=O)C(C)C,LRTZMHUCBZPBMR-UHFFFAOYSA-N
-rxn:4:190931:222823,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc3c(c2)C(=O)CCN3C(=O)OC(C)(C)C)c(F)c1,KGVXGCTXXTZKCQ-UHFFFAOYSA-N
-rxn:4:190956:222823,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CCC3)c(F)c1,MAIQKKOBDDTOFN-UHFFFAOYSA-N
-rxn:4:190975:222637,CC(NC(=O)OC(C)(C)C)c1ccc(-c2ccc3c(c2)C(F)(F)CCN3C(=O)OC(C)(C)C)cc1,QFBNFNPBIPRUDO-UHFFFAOYSA-N
-rxn:4:191008:222635,C[C@H](NC(=O)OC(C)(C)C)c1cccc(-c2ccc3c(c2)C(=O)N(C(=O)OC(C)(C)C)C3(C)C)c1,AADQIXJPMOXOJB-KRWDZBQOSA-N
-rxn:4:191027:223557,COC(=O)C1=CN(c2ccc(-c3c(F)ccc4c3ccn4[Si](C(C)C)(C(C)C)C(C)C)c(C)c2)c2cc(F)ccc2S1(=O)=O,NXZYBRQAVVQHSJ-UHFFFAOYSA-N
-rxn:4:191089:225110,CC(C)(C)OC(=O)Oc1ccc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3(C)C)cc1,NHBLDECIYDANNA-UHFFFAOYSA-N
-rxn:4:191097:226759,COc1cc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)cc(C(F)(F)F)c1,JGKRBSXBYNKYSB-UHFFFAOYSA-N
-rxn:4:191097:226773,COC(=O)c1c(Cl)ccc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)c1F,UYHLJEOBGWKWAW-UHFFFAOYSA-N
-rxn:4:191099:224823,CC(C)(C)OC(=O)N1CCC2(CC1)Oc1ccc(-c3cc(-c4cscn4)cc(C(F)(F)F)c3)cc1C2=O,WGCIIAZEGCBGMV-UHFFFAOYSA-N
-rxn:4:191099:225233,CC1CCCN(c2cc(-c3ccc4c(c3)C(=O)C3(CCN(C(=O)OC(C)(C)C)CC3)O4)cnc2Cl)C1,KFLIYLYAYNBYLQ-UHFFFAOYSA-N
-rxn:4:191103:227549,COC(=O)c1cc(Cl)ccc1-c1ccc2c(c1)C1(C=C2)CCN(C(=O)OC(C)(C)C)CC1,AQAQKCBJEFTEGN-UHFFFAOYSA-N
-rxn:4:191118:223940,CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)c1ccc(-c3ccc4c(c3)OCCN4C(=O)OC(C)(C)C)cc12,MSUQCPHACFTYII-UHFFFAOYSA-N
-rxn:4:191124:224272,CC(C)(C)OC(=O)N1CCC2(CCc3ccc(-c4cc5ccncc5n4C(=O)OC(C)(C)C)cc32)CC1,ZMGDTVSIYZUKSG-UHFFFAOYSA-N
-rxn:4:191124:226995,CC(C)CSc1ccc(-c2ccc3c(c2)C2(CC3)CCN(C(=O)OC(C)(C)C)CC2)cc1,SNJGEPISHFSLFO-UHFFFAOYSA-N
-rxn:4:191130:222499,Cc1ccc(S(=O)(=O)NCc2ccccc2)cc1-c1ccc2c(c1)OC1(CC2)CCN(C(=O)OC(C)(C)C)CC1,MLSSQDQIHIJWRO-UHFFFAOYSA-N
-rxn:4:191130:223946,CCN(C(=O)OC(C)(C)C)c1ccc(-c2ccc3c(c2)OC2(CC3)CCN(C(=O)OC(C)(C)C)CC2)c(Cl)c1,ZIFUDDMISRRVEB-UHFFFAOYSA-N
-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
-rxn:4:191641:223596,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)ccc2-c2cnc(F)c(C(F)(F)C(F)(F)F)c2)CC1,XDQBNQIWDJMZCW-UHFFFAOYSA-N
-rxn:4:193002:223699,O=S(=O)(c1ccc(-c2ccnc(OC3CCOCC3)c2)c(C(F)(F)F)c1)N1CCOCC1,USWCYHRDBSAENQ-UHFFFAOYSA-N
-rxn:4:193230:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(C(=O)N2CCOCC2)c(Cl)c1,ZKMJHFOSORQSGQ-UHFFFAOYSA-N
-rxn:4:193297:222823,CC(C)(C)NS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)ccc2N2CCC(F)(F)C2)c(F)c1,WNIPOPAVTVSAFW-UHFFFAOYSA-N
-rxn:4:193476:223957,CC(C)(C)[Si](C)(C)OCc1c(F)cc(-c2cc(F)cc(C(=O)N3CCCCC3)c2)cc1F,IMZDUHZAEQUCSY-UHFFFAOYSA-N
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-rxn:4:200895:227298,CN(C)Cc1ccc(F)cc1-c1ccc(C(=O)N2CCCCC2CCN2CCCCCC2)cc1,AWRJSTUDTPXJBA-UHFFFAOYSA-N
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-rxn:4:201134:223530,CC(C)(C)OC(=O)N1CCN(Cc2ccc(F)cc2-c2ccc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c3ccccc23)CC1,LPNFRNFSBCFSEJ-UHFFFAOYSA-N
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-rxn:4:201340:224082,CCC(C(=O)OC(C)(C)C)c1cccc(-c2cc(C(F)(F)F)cnc2C(=O)N(C)OC)c1,WMBCZPXKZMGLRR-UHFFFAOYSA-N
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-rxn:4:201572:222730,CCCc1cc(-c2nc(C(=O)OCC)c(N3CCOCC3)s2)cc(C2CCNCC2)n1,KRXIULJJSAFYOQ-UHFFFAOYSA-N
-rxn:4:201606:222827,O=[N+]([O-])c1cc(-c2cc(F)c(S(=O)(=O)NC3CC3)cc2F)cnc1OCC1CCOCC1,KEILPCXBGQBVCG-UHFFFAOYSA-N
-rxn:4:201688:222716,COC(=O)CC1COCCN1c1cccc(-c2ccc(S(=O)(=O)NC3CCCC3)c(F)c2)n1,INAFTWQPPSFVFM-UHFFFAOYSA-N
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-rxn:4:201759:223761,CC(C)(C)OC(=O)N1CCCC1c1ccc(-c2cncc(CC(=O)N3CCC(C(F)(F)F)CC3)c2)cc1,DSNZTSVEWOGRTF-UHFFFAOYSA-N
-rxn:4:201772:222612,COC(=O)CC1CCCCN1c1ccc(-c2cc(S(=O)(=O)N3CCC(O)CC3)ccc2F)cn1,WYNSGEWHZAFOEU-UHFFFAOYSA-N
-rxn:4:201772:222723,COC(=O)CC1CCCCN1c1ccc(-c2cccc(NS(=O)(=O)N3CCOCC3)c2)cn1,HFYGHXLFXGCDSF-UHFFFAOYSA-N
-rxn:4:201776:224280,CC(C)(C)OC(=O)N1CCc2sc(-c3cnc(C4CCN(C(=O)OC(C)(C)C)C4)s3)cc2C1,FZLPTWNOJFTNGF-UHFFFAOYSA-N
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-rxn:4:201794:222813,CN1CCN(C(=O)COc2ccc(Cl)cc2-c2cnc(NC(=O)OC(C)(C)C)c(Cl)c2)CC1,SBYGFSHIKPEODT-UHFFFAOYSA-N
-rxn:4:201794:223562,CN1CCN(C(=O)COc2ccc(Cl)cc2-c2ccc(CC3CCN(C(=O)OC(C)(C)C)CC3)cc2)CC1,VSKIMSVUWQJJCM-UHFFFAOYSA-N
-rxn:4:201794:223897,Cc1ccc(-c2cc(Cl)ccc2OCC(=O)N2CCN(C)CC2)cc1OCCCN1CCOCC1,AMRWYHRIFSXNRY-UHFFFAOYSA-N
-rxn:4:201794:224248,CC1CCN(C(=O)c2ccc(-c3cc(Cl)ccc3OCC(=O)N3CCN(C)CC3)cc2Cl)CC1,SJZBIGDEQYXAFS-UHFFFAOYSA-N
-rxn:4:201814:225744,CCOC(=O)c1nc(N2CCC(F)(F)CC2)ccc1-c1cncc(C(=O)OC(C)(C)C)c1,DJRXYMDGYFTFOY-UHFFFAOYSA-N
-rxn:4:201837:224718,CC(C)(C)OC(=O)N1CCOC(c2ncc(-c3ccc(OCCN4CCOCC4)nc3)s2)C1,XNUOYZRLOVPQAT-UHFFFAOYSA-N
-rxn:4:201908:222987,Cc1nc(C2CCNCC2)ccc1-c1ccc(S(=O)(=O)N2CC(CN3C(=O)CCC3=O)C2)cc1,NXLNVWAVVBDNFX-UHFFFAOYSA-N
-rxn:4:201908:226825,Cc1cc(C(F)(F)F)c(Cl)cc1-c1ccc(S(=O)(=O)N2CC(CN3C(=O)CCC3=O)C2)cc1,CGWICHFOKYIRML-UHFFFAOYSA-N
-rxn:4:201925:223590,Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1-c1cccc(C2CCCN2C(=O)OC(C)(C)C)n1,CYMYMVJHMBCTOH-UHFFFAOYSA-N
-rxn:4:201925:223649,CC(C)(C)OC(=O)N1CCN(c2cccc(-c3cccc(C4CCCN4C(=O)OC(C)(C)C)n3)c2)CC1,FSBRGJMSXPIMEI-UHFFFAOYSA-N
-rxn:4:201932:223929,CC(C)(C)OC(=O)N1CCc2cc(-c3ccnc(C4CCN(C(=O)OC(C)(C)C)C4)c3)cnc2C1,VDCJPNHUFCDWEA-UHFFFAOYSA-N
-rxn:4:201940:222817,CCN1CCN(C(=O)c2ccc(-c3cc(S(=O)(=O)NC4CC4)ccc3OC)cc2OC)CC1,AHCTZFMIADXPKR-UHFFFAOYSA-N
-rxn:4:201949:224080,COC(=O)c1ccc(-c2ccc(OCCCN3CCCCC3)cc2)cc1CN1CCN(C)CC1,IVHONVICCXMVFL-UHFFFAOYSA-N
-rxn:4:201949:224886,COC(=O)c1ccc(-c2ccc(CN3CCC(C)CC3)cc2)cc1CN1CCN(C)CC1,SRCNHOQDHCMFLW-UHFFFAOYSA-N
-rxn:4:201950:225173,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3ccc(C(=O)N4CCCC4)cc3F)cn2)C1,SEZMKIZKOUYOHN-UHFFFAOYSA-N
-rxn:4:201953:222634,COC(=O)c1cc(-c2ccc(OCCNC3CCCC3)c(F)c2)ccc1CN1CCN(C)CC1,FFEDZCFLYQCTNM-UHFFFAOYSA-N
-rxn:4:201975:222741,O=C(c1ccco1)N1CCN(S(=O)(=O)c2ccc(-c3cc(C4CC4)nc(C4CCCNC4)c3)cc2)CC1,KNZOHGKUCRPPEN-UHFFFAOYSA-N
-rxn:4:202005:222542,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3ccc(C)c(OCCCN4CCNCC4)c3)c2)CC1,ZFLKQQZTLUGOHX-UHFFFAOYSA-N
-rxn:4:202010:224277,CC(C)(C)OC(=O)N1CCOC(c2cncc(-c3ccnc4c3ccn4C(=O)OC(C)(C)C)c2)C1,OSWQLLYAWOXYNO-UHFFFAOYSA-N
-rxn:4:202070:225829,CC1CCN(c2ncc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4=O)cc3)cn2)CC1,OIZNHIHKKJDGAD-UHFFFAOYSA-N
-rxn:4:202081:224394,Cc1ccc(-c2ccc(S(=O)(=O)N3CCCC(Oc4ccncc4)C3)cc2)cc1S(=O)(=O)N1CCOCC1,UFWBRSJJIFOGRY-UHFFFAOYSA-N
-rxn:4:202085:224817,Cc1cc(F)ccc1S(=O)(=O)N1CCC(Oc2ncccc2-c2ccccc2S(=O)(=O)N2CCOCC2)C1,PZMAGOFZFLKXSK-UHFFFAOYSA-N
-rxn:4:202098:223683,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3cnc(OC4CCN(C(=O)OC(C)(C)C)C4)nc3)nc2)CC1,RBIXJICLYKHMLW-UHFFFAOYSA-N
-rxn:4:202098:224653,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3ccc(Cl)cc3OCC3CCCCO3)nc2)CC1,XYQSILYYNOGYEF-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:4:202099:223493,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1cc(C2CCN(C(=O)OC(C)(C)C)CC2)ccn1,VEQSTLNJEVSVEM-UHFFFAOYSA-N
-rxn:4:202100:224076,CC(C)(C)OC(=O)c1cc(-c2ccc3c(ccn3[Si](C)(C)C(C)(C)C)c2)nc(N2CCCCC2)c1,JTJCUMSLNCCZNQ-UHFFFAOYSA-N
-rxn:4:202110:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3ccccc3N3CCN(C(=O)OC(C)(C)C)CC3)cc21,WLJXHNDTIHXWJI-UHFFFAOYSA-N
-rxn:4:202118:223025,CCCNC(=O)c1cc(-c2cnc(N3CCCCC3)c(C(=O)OC(C)(C)C)c2)ccc1Cl,URIKSMFFWGCVIL-UHFFFAOYSA-N
-rxn:4:202121:224076,CC(C)(C)OC(=O)N1CCC(c2cncc(-c3ccc4c(ccn4[Si](C)(C)C(C)(C)C)c3)c2)CC1,GNSVSWFMCBTJGQ-UHFFFAOYSA-N
-rxn:4:202121:224834,CN(C)S(=O)(=O)n1cc(-c2cncc(C3CCN(C(=O)OC(C)(C)C)CC3)c2)c(C(F)(F)F)n1,BTNWAHNMGTUEDY-UHFFFAOYSA-N
-rxn:4:202127:223507,CC(C)(C)OC(=O)N1CCC(c2ccncc2-c2ccccc2S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CC1,AZKHWHKIRXHQED-UHFFFAOYSA-N
-rxn:4:202127:223595,CC(C)(C)OC(=O)N1CCC(c2ccncc2-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c(F)c2)CC1,VWYVYLIQSKROCH-UHFFFAOYSA-N
-rxn:4:202128:223888,CC(C)(C)OC(=O)C1CCN(c2cncc(-c3ccc4c(c3)N(C(=O)OC(C)(C)C)CCC4)c2Cl)CC1,BESJMDBQSNCTCX-UHFFFAOYSA-N
-rxn:4:202131:222499,Cc1ccc(S(=O)(=O)NCc2ccccc2)cc1-c1cc(Cl)cc(N2CCN(C(=O)OC(C)(C)C)CC2)c1,IYVBCDXWHWNFHP-UHFFFAOYSA-N
-rxn:4:202208:224760,COc1ccc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1S(=O)(=O)N1CCN(c2ccccc2)CC1,WUJDXGUOYAAVNY-UHFFFAOYSA-N
-rxn:4:202215:223480,COc1ccc(-c2cc(C)c(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c(C)c2)cc1S(=O)(=O)N1CCN(c2ccc(F)cc2)CC1,RWWOLPFPAPPOAY-UHFFFAOYSA-N
-rxn:4:202215:224406,COc1ccc(-c2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)cc1S(=O)(=O)N1CCN(c2ccc(F)cc2)CC1,DNDXJDGNDLLBMV-UHFFFAOYSA-N
-rxn:4:202226:223683,Cc1cc(C2CCCN(C(=O)OC(C)(C)C)C2)cc(-c2cnc(OC3CCN(C(=O)OC(C)(C)C)C3)nc2)n1,AIYDHDQTXXXGBU-UHFFFAOYSA-N
-rxn:4:202227:223501,Cc1cc(-c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c(Cl)c2)cc(C2CCCN(C(=O)OC(C)(C)C)C2)n1,YDWJMLVTMVNCKG-UHFFFAOYSA-N
-rxn:4:202227:224078,Cc1cc(-c2cccc3c2ccn3[Si](C)(C)C(C)(C)C)cc(C2CCCN(C(=O)OC(C)(C)C)C2)n1,QIPNFVVZGKYOSH-UHFFFAOYSA-N
-rxn:4:202230:223648,Cc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)c(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2)c1,YZHMEIHOBBUJGO-UHFFFAOYSA-N
-rxn:4:202230:224371,COC(=O)C1CCN(c2ncc(-c3cc(C)ccc3N3CCN(C(=O)OC(C)(C)C)CC3)cn2)CC1,NXKZAGHKHLYGHX-UHFFFAOYSA-N
-rxn:4:202231:226560,CCOc1cc(F)c(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c(C)c2)cc1OC,GFRDZZBMCBBSAG-UHFFFAOYSA-N
-rxn:4:202254:223832,COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1-c1ccc(C2=NN(S(=O)(=O)c3ccc(C)cc3)C(c3ccco3)C2)cc1,PIPZJBIDURXQMA-UHFFFAOYSA-N
-rxn:4:202261:223994,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1ccc(-c2nc(S(=O)(=O)N3CCOCC3)c(-c3ccc(Cl)cc3)o2)cc1,NRKUWRZESCIXRN-UHFFFAOYSA-N
-rxn:4:202273:223841,Cc1cc(F)c(-c2cccc(CN3CCCC(C(=O)N4CCSCC4)C3)c2)cc1S(=O)(=O)N1CCN(C)CC1,ZOXAVSWNNGJZLY-UHFFFAOYSA-N
-rxn:4:202303:224391,COc1cc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c(C)cc1-c1ccc(S(=O)(=O)N2CCOCC2)cc1C,SCYIPODTKWRLFT-UHFFFAOYSA-N
-rxn:4:202303:224819,COc1cc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c(C)cc1-c1ccc(S(=O)(=O)N2CCOCC2)cc1,UILAECVFIMLRGW-UHFFFAOYSA-N
-rxn:4:202310:227702,COC(=O)c1cnc(F)c(-c2ccc(S(=O)(=O)N3CCCSCC3CN3CCOCC3)cc2)c1,QQTQCFYWICIVEO-UHFFFAOYSA-N
-rxn:4:202310:228887,N#Cc1cc(-c2ccc(S(=O)(=O)N3CCCSCC3CN3CCOCC3)cc2)c(Cl)cn1,KSZIXTRRUWLWTH-UHFFFAOYSA-N
-rxn:4:202310:228888,N#Cc1cc(-c2ccc(S(=O)(=O)N3CCCSCC3CN3CCOCC3)cc2)c(F)cn1,PABGYKLTBIOBFU-UHFFFAOYSA-N
-rxn:4:202310:228892,N#Cc1cc(-c2ccc(S(=O)(=O)N3CCCSCC3CN3CCOCC3)cc2)cc(F)n1,QGTRDVTYYVDDPP-UHFFFAOYSA-N
-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:4:202318:222702,Cc1ccc(S(=O)(=O)c2nc(-c3ccc(-c4cc(C5CCCNC5)ccc4C(F)(F)F)cc3)oc2N2CCOCC2)cc1,RKSYVHYLJMGVQY-UHFFFAOYSA-N
-rxn:4:202328:227896,COC1CCN(C2CCN(S(=O)(=O)c3ccccc3-c3ccccc3C=CC#N)CC2)CC1,VNXYTYLIVNXOTG-UHFFFAOYSA-N
-rxn:4:202345:226019,COc1cc(C)c(-c2ccc(F)cc2OCC(F)(F)F)cc1S(=O)(=O)N1CCN(c2c(C)cccc2C)CC1,DSXQRRPGLUGRQO-UHFFFAOYSA-N
-rxn:4:202345:226092,CCCCOc1ccc(-c2cc(S(=O)(=O)N3CCN(c4c(C)cccc4C)CC3)c(OC)cc2C)c(C)c1,ZEHYLAXTONXEIG-UHFFFAOYSA-N
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-rxn:4:210863:223595,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cccc4sc(N5CCOCC5)nc34)cc2F)CC1,JVISMNKWPWJGQN-UHFFFAOYSA-N
-rxn:4:212532:225095,CCOC(=O)c1ccc(OCC)c(-c2cnn(CC3CN(C(=O)c4cccc(OC(F)(F)F)c4)C3)c2)c1,ORRJZIVNYAHRHQ-UHFFFAOYSA-N
-rxn:4:212532:225274,COCCOc1c(F)cc(-c2cnn(CC3CN(C(=O)c4cccc(OC(F)(F)F)c4)C3)c2)c(C)c1F,MLXOKYOXEWWOET-UHFFFAOYSA-N
-rxn:4:212532:225335,CCOc1cc(OC(F)(F)F)ccc1-c1cnn(CC2CN(C(=O)c3cccc(OC(F)(F)F)c3)C2)c1,LHDHAHAXDHZUTG-UHFFFAOYSA-N
-rxn:4:212547:223650,CCOCCN1CCC(Oc2ncc(-c3ccccc3N3CCN(C(=O)OC(C)(C)C)CC3)cn2)CC1,BXRGBHRANMWHGO-UHFFFAOYSA-N
-rxn:4:212587:224322,CCOc1ccc(S(=O)(=O)N2CC(Cn3cc(-c4ccc(S(=O)(=O)N5CCC(C)CC5)cc4)cn3)C2)cc1,BWUXROQBFSHUDV-UHFFFAOYSA-N
-rxn:4:212593:226773,COC(=O)c1c(Cl)ccc(-c2ccc(C(=O)N(C)C3CN(C(=O)OC(C)(C)C)C3)cn2)c1F,WVKXNZAZMDVWQA-UHFFFAOYSA-N
-rxn:4:212609:223669,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3nccn3CC3CCN(C(=O)OCc4ccccc4)CC3)cn2)CC1,RBMFIHREHAYNNE-UHFFFAOYSA-N
-rxn:4:212616:225231,CC1CCCCN1c1cc(-c2cncc(C(=O)OCC(=O)N3CCN(c4ccccc4F)CC3)c2)cnc1Cl,KXWTZCWZQXYEFB-UHFFFAOYSA-N
-rxn:4:212621:225898,O=C(Cc1ccc(F)cc1)N1CCC(COc2ncc(-c3cnn(CCN4CCOCC4)c3)cn2)CC1,ULPXJHIKMJNJSV-UHFFFAOYSA-N
-rxn:4:212650:222948,CC(C)(C)CC(=O)N1CCCC(COc2ncc(-c3cnc(N4CCC(O)CC4)nc3Cl)cn2)C1,NRMYJOSZOGPROH-UHFFFAOYSA-N
-rxn:4:212656:223590,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:4:212722:224322,Cc1ccc(S(=O)(=O)N(Cc2ccc(-c3ccc(S(=O)(=O)N4CCC(C)CC4)cc3)cc2)C(=O)N2CCN(C)CC2)cc1,CHLWJVZPWXXDLD-UHFFFAOYSA-N
-rxn:4:212722:227625,Cc1ccc(S(=O)(=O)N(Cc2ccc(-c3cnc(C4CCCO4)nc3)cc2)C(=O)N2CCN(C)CC2)cc1,ZDOBZWWEUIQZKW-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:4:212729:225174,COc1ccc(-c2noc(C3CCCN(S(=O)(=O)c4ccc(-c5ccc(F)cc5CN5CCOCC5)cc4)C3)n2)cc1OC,IISRFRSNYQRPAW-UHFFFAOYSA-N
-rxn:4:212730:223058,COc1ccc(-c2noc(C3CCCN(S(=O)(=O)c4ccc(-c5cc(F)nc(C6CCCNC6)c5)cc4)C3)n2)c(OC)c1,ZHVXWDJPQLYABB-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:4:212744:222813,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:4:212744:224519,CC(C)(C)OC(=O)N1CCN(c2cc(CN3CCC(F)(F)CC3)cc(-c3cccc(Cl)c3OCc3ccccc3)c2)CC1,PYNWFDDWNXWXSB-UHFFFAOYSA-N
-rxn:4:212816:225320,O=C(CCc1c[nH]c2ccccc12)N1CCN(S(=O)(=O)c2ccc(-c3ccc(N4CCOCC4)c(F)c3F)cc2)CC1,FOBJOXKMMMXRNH-UHFFFAOYSA-N
-rxn:4:212839:226968,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4ccc5c(c4)OC(C)(C)C5)ccn23)CC1,NHRYAKABPFEECJ-UHFFFAOYSA-N
-rxn:4:212908:225173,CCOC(=O)N1CCCC(Oc2ncc(-c3ccc(C(=O)N4CCCC4)cc3F)cn2)C1,ZPWRQBAHPBWGAX-UHFFFAOYSA-N
-rxn:4:212927:224394,Cc1ccc(-c2ccc(OCc3nc(C#N)c(N4CCOCC4)o3)cc2)cc1S(=O)(=O)N1CCOCC1,WTNBTYGKFSRQOL-UHFFFAOYSA-N
-rxn:4:212967:222546,O=C(C1CC1)N1CCC(COc2ncc(-c3ccc(OCCNC4CCCCC4)c(F)c3)cn2)CC1,XKFBSRFSXHFQLZ-UHFFFAOYSA-N
-rxn:4:212988:223880,Cc1ccc2c(c1)cc(-c1nc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cs1)n2C(=O)OC(C)(C)C,WWLAACRTJZPJQM-UHFFFAOYSA-N
-rxn:4:212988:224356,CC(C)(C)OC(=O)N1CCN(C(=O)c2csc(-c3cc4sc(Cl)cc4n3C(=O)OC(C)(C)C)n2)CC1,ZCWQLNMFNNZNKT-UHFFFAOYSA-N
-rxn:4:212989:224161,CC(C)(C)OC(=O)N1CCN(C(=O)c2cnc(-c3ccc4c(c3)CN(C(=O)OC(C)(C)C)C4)s2)CC1,CBFDWXFRRPWMER-UHFFFAOYSA-N
-rxn:4:212991:223040,O=C(NC1CC1)c1ccc(-c2cnc(OCC3CCN(S(=O)(=O)C4CC4)CC3)nc2)cc1F,HCEAGFABEDMJRT-UHFFFAOYSA-N
-rxn:4:213010:223534,CC(C)(C)OC(=O)N1CCC(Oc2cc(-c3cnn(C[C@@H]4CN(C(=O)OC(C)(C)C)CCO4)c3)c(F)cn2)CC1,QVRQVPSNDODGPY-NRFANRHFSA-N
-rxn:4:213010:226766,Cc1ccc(OC(F)(F)F)c(-c2cnn(C[C@@H]3CN(C(=O)OC(C)(C)C)CCO3)c2)c1,RMRVIBAWCANNED-INIZCTEOSA-N
-rxn:4:213013:222546,CCC(C)C(=O)N1CCC(Oc2ncc(-c3ccc(OCCNC4CCCCC4)c(F)c3)cn2)CC1,QEFXVLDZNGOATO-UHFFFAOYSA-N
-rxn:4:213013:225877,CCC(C)C(=O)N1CCC(Oc2ncc(-c3ccc(Cl)cc3N3CCOCC3)cn2)CC1,YXXPNWMWKPXVOV-UHFFFAOYSA-N
-rxn:4:213031:225294,CCN1CCN(c2ncc(-c3cnc(OC4CCN(S(=O)(=O)c5cc(F)ccc5OC)C4)nc3)cn2)CC1,PILOYQYESQWURX-UHFFFAOYSA-N
-rxn:4:213041:225901,Cc1nn(C(=O)OC(C)(C)C)cc1-c1cnc(OC2CCN(C(=O)OC(C)(C)C)CC2)cn1,YQUAVOCHZHZPFG-UHFFFAOYSA-N
-rxn:4:213044:225218,CC1CCCN(c2ncc(-c3cnc(OC4CCN(C(=O)OC(C)(C)C)CC4)nc3)cc2Cl)C1,GMGPAWRSHOCWEP-UHFFFAOYSA-N
-rxn:4:213048:224462,COc1ccc(S(=O)(=O)N2CC(Cn3cc(-c4ccc(C5CCN(C6CC6)CC5)cc4)cn3)C2)cc1C,MZFYSIPNENAMJA-UHFFFAOYSA-N
-rxn:4:213053:227480,CCCOc1nccc(-c2cnc(OCC3CCCN(C(=O)C4CC(F)(F)C4)C3)nc2)c1Cl,QBQPRAZGLNJVJF-UHFFFAOYSA-N
-rxn:4:213061:222719,N#Cc1cccnc1OC1CCN(S(=O)(=O)c2ccc(-c3cc(C4CCCNC4)nc(C(F)(F)F)c3)cc2)CC1,DMNJXGFMMZQCJV-UHFFFAOYSA-N
-rxn:4:213072:223480,Cc1cc(-c2cnn(CC3CCCN(C(=O)OC(C)(C)C)C3)c2)cc(C)c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,LRTOLSQYSADJSW-UHFFFAOYSA-N
-rxn:4:213095:224368,CN(C(=O)OC(C)(C)C)c1cc(-c2cc(C#N)ccc2N2CCN(C(=O)OC(C)(C)C)CC2)cnc1Cl,DSESBSKDDSOVEW-UHFFFAOYSA-N
-rxn:4:213096:224161,CC(C)(C)OC(=O)N1CCN(c2cc(-c3ccc4c(c3)CN(C(=O)OC(C)(C)C)C4)ccc2C#N)CC1,HHASYRKFUHUUNS-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:4:213112:222524,Cc1ccc(OCC2CCN(S(=O)(=O)c3ccccc3-c3cc(F)c(F)cc3S(=O)(=O)N3CCC(O)CC3)C2)nn1,PBJREPSJXFWZMS-UHFFFAOYSA-N
-rxn:4:213112:223839,COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1ccccc1S(=O)(=O)N1CCC(COc2ccc(C)nn2)C1,WMILIFFICCDOIX-UHFFFAOYSA-N
-rxn:4:213125:225979,CC(C)(C)OC(=O)N1CCN(Cc2cccc(-c3cnc(N4CCOCC4)c(Cl)c3)n2)CC1,WJXDNNQZBPWADA-UHFFFAOYSA-N
-rxn:4:213126:225901,Cc1nn(C(=O)OC(C)(C)C)cc1-c1ccc(CN2CCN(C(=O)OC(C)(C)C)CC2)cn1,HRPKILAKODTJTF-UHFFFAOYSA-N
-rxn:4:213131:224393,CC(C)(C)C(=O)N1CCC(COc2ncc(-c3cc(C(F)(F)F)ccc3N3CCOCC3)cn2)CC1,PQBCAIRCWARPOX-UHFFFAOYSA-N
-rxn:4:213131:224672,CCN1CCN(c2ccc(-c3cnc(OCC4CCN(C(=O)C(C)(C)C)CC4)nc3)c(Cl)c2)CC1,WYJREBITIFIISP-UHFFFAOYSA-N
-rxn:4:213131:226255,CCCCOc1ccc(Cl)cc1-c1cnc(OCC2CCN(C(=O)C(C)(C)C)CC2)nc1,KLPHOWGXWLUUMT-UHFFFAOYSA-N
-rxn:4:213138:225898,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3cnn(CCN4CCOCC4)c3)cnc2F)CC1,GMQVXVPANOELSM-UHFFFAOYSA-N
-rxn:4:213138:225976,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3ccnc(N4CCOCC4)c3F)cnc2F)CC1,DKQGNZANPKAIRJ-UHFFFAOYSA-N
-rxn:4:213141:224279,CC(C)(C)OC(=O)N1CCN(c2ccc([N+](=O)[O-])c(-c3ccc4c(c3)ncn4C(=O)OC(C)(C)C)c2)CC1,MEPLZMFGBUSBNO-UHFFFAOYSA-N
-rxn:4:213147:224376,CN1CCN(S(=O)(=O)c2cccc(-c3cncc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c3)c2)CC1,BBWJJQYKCKJJQW-UHFFFAOYSA-N
-rxn:4:213152:223998,COc1ccc(-c2ccc(S(=O)(=O)N3CCC(C)CC3)c(F)c2)cc1CN1CCC(Oc2ncc(F)cn2)CC1,QOZSIMHNLNUHDW-UHFFFAOYSA-N
-rxn:4:213172:223845,CN1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2ccc(S(=O)(=O)N3CCC(CSc4nccn4C)CC3)cc2)CC1,DCDAWWKUAAWDLQ-UHFFFAOYSA-N
-rxn:4:213179:223977,Cc1ccc(OCC2CCN(C(=O)c3cccc(-c4cc(C(F)(F)F)ccc4C(=O)OC(C)(C)C)c3)CC2)nn1,IUJIQDGJUKBIAW-UHFFFAOYSA-N
-rxn:4:213201:224328,Cc1cc(OCC2CCN(S(=O)(=O)c3ccccc3-c3cccc(S(=O)(=O)N4CCCCC4C)c3)CC2)ncn1,TUFLDUMQCMDGAB-UHFFFAOYSA-N
-rxn:4:213202:223813,Cc1ccc(OCC2CCN(S(=O)(=O)c3ccccc3-c3ccc(CN4CCC5(CC4)OCCO5)c(F)c3)CC2)nn1,HTIJUGTWEJXINL-UHFFFAOYSA-N
-rxn:4:213205:222466,Cc1cnc(OCC2CCCN(S(=O)(=O)c3ccc(-c4cc(C5CCCCC5)nc(C5CCNCC5)c4)cc3)C2)nc1,JLEWMMMOXMZIIE-UHFFFAOYSA-N
-rxn:4:213213:224720,CN(c1cccc(-c2cn(C(=O)OC(C)(C)C)nc2C2CC2)n1)C1CCN(C(=O)OC(C)(C)C)CC1,HKZRWHBLTJWDGN-UHFFFAOYSA-N
-rxn:4:213228:223683,CC1CN(S(=O)(=O)c2cncc(-c3cnc(OC4CCN(C(=O)OC(C)(C)C)C4)nc3)c2)CCN1C(=O)OC(C)(C)C,ZVFRZYPVEUJFEJ-UHFFFAOYSA-N
-rxn:4:213228:224269,CC1CN(S(=O)(=O)c2cncc(-c3cn(C(=O)OC(C)(C)C)c4cnccc34)c2)CCN1C(=O)OC(C)(C)C,FJEKGRUWSHBNPA-UHFFFAOYSA-N
-rxn:4:213236:223032,CCCNC(=O)c1ccc(-c2cnc(OC3CCCN(S(=O)(=O)c4ccc(OC)c(C)c4)C3)nc2)c(F)c1,FPAVGCJOVLNPKY-UHFFFAOYSA-N
-rxn:4:213251:224398,Cc1cc(F)c(-c2cc(S(=O)(=O)N3CCCCC3)cnc2N(C)Cc2ccccc2)cc1S(=O)(=O)N1CCCC1,JNQSGQOWIPZQRO-UHFFFAOYSA-N
-rxn:4:213258:223573,Cc1nn(CC2CCCN(C(=O)OC(C)(C)C)C2)c(C)c1-c1ccc(CN2CCN(C(=O)OC(C)(C)C)CC2)cc1,UTSKOKAGPOIYRN-UHFFFAOYSA-N
-rxn:4:213258:224724,CCN(CC)S(=O)(=O)c1ccc(C)c(-c2c(C)nn(CC3CCCN(C(=O)OC(C)(C)C)C3)c2C)c1,HSGJDAKQJOALJQ-UHFFFAOYSA-N
-rxn:4:213265:223187,CONS(=O)(=O)c1cccc(-c2ccc(C(=O)N3CCC(N4CCC(Oc5nccs5)CC4)CC3)o2)c1,JTWVGEXUZRUUIC-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:4:213289:223683,CC(C)(C)OC(=O)N1CCC(c2nc(C(C)(C)C)ncc2-c2cnc(OC3CCN(C(=O)OC(C)(C)C)C3)nc2)CC1,PLLSFQFQXDLURG-UHFFFAOYSA-N
-rxn:4:213289:224290,CC(C)(C)OC(=O)N1CCC(c2nc(C(C)(C)C)ncc2-c2ccc(Cl)cc2OCCN2CCOCC2)CC1,BGHRPWKYPPCZFX-UHFFFAOYSA-N
-rxn:4:213355:224743,CC(C)CS(=O)(=O)C1CN(C(=O)c2c3ccc(-c4c(F)cc(C(=O)OC(C)(C)C)cc4F)cc3nn2C)C1,BKAVEYXBLHXNIQ-UHFFFAOYSA-N
-rxn:4:213355:226598,CC(C)CS(=O)(=O)C1CN(C(=O)c2c3ccc(-c4cc(OC(C)C)c(F)cc4F)cc3nn2C)C1,MHDKHYJWXPYPGP-UHFFFAOYSA-N
-rxn:4:213363:224810,COc1ccc2sc(OC3CCN(C(=O)c4cncc(-c5cnc(N6CCCC6)c(C(F)(F)F)c5)c4)CC3)nc2c1,CIGGOCJBAPVKMQ-UHFFFAOYSA-N
-rxn:4:213388:225350,COC(=O)c1cc(C(F)(F)F)ccc1-c1ccnc2c1ccn2CC1CCN(C(=O)OC(C)(C)C)CC1,CBWROFKYKTZFDM-UHFFFAOYSA-N
-rxn:4:213388:225801,CC(C)(C)OC(=O)N1CCC(Cn2ccc3c(-c4ccnc(OC5CCCC5)c4Cl)ccnc32)CC1,IQBPIXSIROGIPS-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:4:213563:223481,COc1ccc(Cn2ncc(-c3ccc(S(=O)(=O)N4CCC(O[Si](C)(C)C(C)(C)C)CC4)cc3F)c2[N+](=O)[O-])cc1,HKPBSMNIYBVUCW-UHFFFAOYSA-N
-rxn:4:213604:224767,CCS(=O)(=O)N1CCC(Oc2ncc(-c3cccc(C(=O)N4CCOCC4)c3F)cn2)C1,ANUCVAHIRGUFKX-UHFFFAOYSA-N
-rxn:4:213660:222546,CCOC(=O)N1CCN(c2ccc(-c3ccc(OCCNC4CCCCC4)c(F)c3)cn2)CC1,XHZZPXCNACVQRL-UHFFFAOYSA-N
-rxn:4:213665:223644,CCOC(=O)C1CCCN(C(=O)c2ccc(-c3cccnc3N3CCN(C(=O)OCC)CC3)cc2)C1,WLSRSLMIHGFUQN-UHFFFAOYSA-N
-rxn:4:213665:224599,CCOC(=O)N1CCN(c2ncccc2-c2cc(C(=O)C3CCCCC3)ccc2F)CC1,XAYDKLCAOMWKOI-UHFFFAOYSA-N
-rxn:4:213687:222723,COCCN1CCN(c2ccc(-c3cccc(NS(=O)(=O)N4CCOCC4)c3)cn2)CC1,RKTDOIWNNJPHIH-UHFFFAOYSA-N
-rxn:4:213720:223940,CC(C)(C)OC(=O)N1CCC(n2nccc2-c2ccc3c(c2)OCCN3C(=O)OC(C)(C)C)C1,YEVAVHLNRNNFSJ-UHFFFAOYSA-N
-rxn:4:213721:224561,Cc1c(O[Si](C)(C)C(C)(C)C)cccc1-c1ccn(C2CCN(C(=O)OC(C)(C)C)C2)n1,KICZYIRNUXGYJE-UHFFFAOYSA-N
-rxn:4:213759:223931,CC(C)(C)OC(=O)N1CCCC1c1cnc(-c2cc3ccc(Cl)cc3n2C(=O)OC(C)(C)C)cn1,HSHPPWWTNSCZSU-UHFFFAOYSA-N
-rxn:4:213764:225361,CC(C)(C)OC(=O)N1CCC(c2cnc(-c3cn(C4CCCC4)nc3C(F)(F)F)cn2)C1,XPTOZDVJXCJQOW-UHFFFAOYSA-N
-rxn:4:213765:223493,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1cncc(C2CCN(C(=O)OC(C)(C)C)C2)n1,VVJXGULWCQFVNU-UHFFFAOYSA-N
-rxn:4:213765:225210,Cc1nc(N2CCC(C)CC2)ncc1-c1cncc(C2CCN(C(=O)OC(C)(C)C)C2)n1,LGSSYRMIFTUORI-UHFFFAOYSA-N
-rxn:4:213777:222465,CCOC(=O)c1nc(N2CCN(C)CC2)ccc1-c1cc(C2CCCCC2)nc(C2CCCNC2)c1,PYKMOWNQLDIASP-UHFFFAOYSA-N
-rxn:4:213778:222629,CCN1CCN(c2ccc(-c3cc(C4CCCNC4)nc(C(C)(C)C)c3)c(C(=O)OC)n2)CC1,HKYIMLZRKZHJIN-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:4:213843:223534,CC(C)(C)OC(=O)N1CCC(Oc2cc(-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4=O)c3)c(F)cn2)CC1,SIUJXQUDTWDBKR-UHFFFAOYSA-N
-rxn:4:213843:226715,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cnn(C(=O)OC(C)(C)C)c3)ccn2)C(=O)C1,PURSQMAJOWVSIL-UHFFFAOYSA-N
-rxn:4:213874:226033,COc1cc(-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)cc(C(F)(F)F)c1F,OKRRIXONMBSRHK-UHFFFAOYSA-N
-rxn:4:213875:225947,CN1CCN(c2ncc(-c3cccc(N4CCN(C(=O)OC(C)(C)C)CC4)n3)cn2)CC1,JCNWNNGDEFUDKI-UHFFFAOYSA-N
-rxn:4:213877:222426,CC(C)(C)OC(=O)N1CCN(c2ccnc(-c3ccc4c(c3)C3(CCN(C(=O)OC(C)(C)C)CC3)C(=O)N4)c2)CC1,XSFJQRTXPMJQMD-UHFFFAOYSA-N
-rxn:4:213883:223670,Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)sc1-c1cccnc1N1CCN(C(=O)OC(C)(C)C)CC1,SGGZSOSKFSTDCZ-UHFFFAOYSA-N
-rxn:4:213888:224161,CC(C)(C)OC(=O)N1Cc2ccc(-c3cncc(C4CCCN(C(=O)OC(C)(C)C)C4)n3)cc2C1,LICGIXFDKPDUMD-UHFFFAOYSA-N
-rxn:4:213889:224011,CN1CCN(S(=O)(=O)c2ccc(-c3cc(C4CCCN(C(=O)OC(C)(C)C)C4)ncn3)cc2F)CC1,DSDXAQOPCXNZAM-UHFFFAOYSA-N
-rxn:4:213894:223061,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cc(C4CCNCC4)ncc3F)cn2)CC1,CWGXJCWETFYTTJ-UHFFFAOYSA-N
-rxn:4:213897:225982,CC(C)(C)OC(=O)N1CCN(c2ccncc2-c2cnc(N3CCOCC3)cc2F)CC1,QVCLZWXSLAUMTM-UHFFFAOYSA-N
-rxn:4:213901:225613,CC(C)(C)OC(=O)N1CCN(c2nc(Cl)ccc2-c2ccnc(OC3CCCCC3)c2)CC1,PYNCEFIGWJSCHT-UHFFFAOYSA-N
-rxn:4:213910:225252,CCOC(=O)c1cn2cc(-c3cccnc3OC3CCN(S(=O)(=O)N4CCOCC4)C3)ccc2n1,WCFDUYFPLBLVQG-UHFFFAOYSA-N
-rxn:4:213931:226231,CCCCOc1ncc(-c2cc(C(F)(F)F)cnc2N2CCOC(C(=O)N3CCCC3)C2)cc1C,LPBQHVCUXWREMP-UHFFFAOYSA-N
-rxn:4:213932:222916,O=C(NC1=NCCS1)c1cccc(-c2cnc(N3CCOC(C(=O)N4CCCC4)C3)c(C(F)(F)F)c2)c1,KPBBMTRKISLZJB-UHFFFAOYSA-N
-rxn:4:213942:223933,Cc1nn(C2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1cc2cc(F)ccc2n1C(=O)OC(C)(C)C,WSVIKOQIHQQFHB-UHFFFAOYSA-N
-rxn:4:213942:224279,Cc1nn(C2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccc2c(c1)ncn2C(=O)OC(C)(C)C,ZRXYLWDHXAOSNS-UHFFFAOYSA-N
-rxn:4:213985:225233,Cc1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)c(-c2cnc(Cl)c(N3CCCC(C)C3)c2)c1,DPHNQMVMLMFWCU-UHFFFAOYSA-N
-rxn:4:213985:226773,COC(=O)c1c(Cl)ccc(-c2cc(C)cnc2N2CCN(C(=O)OC(C)(C)C)CC2)c1F,UHCISHMEQAOABG-UHFFFAOYSA-N
-rxn:4:214011:224392,Cc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1ccc(S(=O)(=O)n2nc(C)c(S(=O)(=O)N3CCCC3)c2C)cc1,ABZAULSHVJPDOY-UHFFFAOYSA-N
-rxn:4:214014:224194,CCN1CCN(Cc2ccc(-c3cncc(C(=O)N4CCCSCC4CN4CCCC4)c3)cc2Cl)CC1,MGWXYZTUMHTHJL-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:4:214021:222700,Cc1cc(C)nc(OC2CCCN(C(=O)c3ccccc3-c3ccc(C(F)(F)F)cc3C3CCCNC3)C2)n1,WMOQCPMOGFGFGQ-UHFFFAOYSA-N
-rxn:4:214038:223671,Cc1ccc(S(=O)(=O)N2CCCC(Oc3ncc(-c4ccnc(N5CCN(C(=O)OC(C)(C)C)CC5)c4)cn3)C2)cc1C,FXNISFXRUNWZRI-UHFFFAOYSA-N
-rxn:4:214050:223079,CC(C)NS(=O)(=O)c1cccc(-c2cnc(N3C[C@H](C)N(C(=O)OC(C)(C)C)C[C@H]3C)c(F)c2)c1,LOIRKZYTVZFDLG-MSOLQXFVSA-N
-rxn:4:214065:224247,Cc1nn(C(=O)c2ccc(-c3ccc(C(=O)N4CCC(C)CC4)cc3F)cc2)c(C)c1S(=O)(=O)N1CCC(C)CC1,ZORVVNPCSBXMIE-UHFFFAOYSA-N
-rxn:4:214180:223774,COc1cccc2c1cc(-c1ccc3cc(C4CN(C(=O)OC(C)(C)C)C4)nn3c1)n2C(=O)OC(C)(C)C,IJHVPARIRKJPHT-UHFFFAOYSA-N
-rxn:4:214183:223533,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc4c(C5CN(C(=O)OC(C)(C)C)C5)ncn4c3)c(F)c2)CC1,ORMAOBZIMHFFOF-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:4:214220:224710,CCCCOc1cc(-c2ccc3[nH]c(C4CCCN4C(=O)OC(C)(C)C)nc3c2)cc(C(F)(F)F)c1,WQQPEZPEETVBQQ-UHFFFAOYSA-N
-rxn:4:214223:223573,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc(C(=O)N4CCC(Cn5cnc6ccccc65)CC4)o3)cc2)CC1,OKHKKYCLEVPCEB-UHFFFAOYSA-N
-rxn:4:214273:223532,CC(C)(C)OC(=O)N1CCC(n2cnc3ccc(-c4cc(F)cc(CN5CCN(C(=O)OC(C)(C)C)CC5)c4)cc32)CC1,SBELWSFDKKZUIY-UHFFFAOYSA-N
-rxn:4:214342:224321,Cc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(-c4cccc(S(=O)(=O)N5CCC(C)CC5)c4)cc3)CC2)c2ccccc2n1,NQLAHKUXYLWWOC-UHFFFAOYSA-N
-rxn:4:214347:222985,Cc1nc(C2CCCNC2)ccc1-c1ccc2c(c1)sc(=NC(=O)c1ccc(S(=O)(=O)N3CCCCC3)cc1)n2C,GDOWCTQQHGXVNE-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:4:214787:222630,O=C1CN(S(=O)(=O)c2ccc(-c3cc(C4CCC4)nc(C4CCNCC4)c3)cc2)CCN1c1ccccn1,BNQANPOXWCXZOD-UHFFFAOYSA-N
-rxn:4:214791:222466,Cc1nc(N2CCN(CC3CC3)CC2)ccc1-c1cc(C2CCCCC2)nc(C2CCNCC2)c1,POXFMOHCHSXMJA-UHFFFAOYSA-N
-rxn:4:214802:224672,CCN1CCN(c2ccc(-c3cccnc3N3CCOC(C(=O)N4CCCC4)C3)c(Cl)c2)CC1,ZKSHTZHBBYVCAO-UHFFFAOYSA-N
-rxn:4:214819:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cc(Cl)cnc3N3CCOC(C(=O)N4CCCC4)C3)c2Cl)CC1,VYHOLAYRSFGPDF-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:4:214830:222942,O=C(C1CN(c2ccc(-c3ccc(S(=O)(=O)NC4CC4)c(F)c3)cn2)CCO1)N1CCSCC1,YKTXUEPFTANPEO-UHFFFAOYSA-N
-rxn:4:214862:223174,CCS(=O)(=O)Nc1ccc(-c2cncc(C(=O)N3CCCN(C4CCSC4)CC3)c2)cc1,SFTPAMPRVOGQFA-UHFFFAOYSA-N
-rxn:4:214862:224848,CC[C@H]1CC[C@H](c2ccc(-c3cncc(C(=O)N4CCCN(C5CCSC5)CC4)c3)cc2)CC1,ZAQCIZHTPSYYFY-BWZATIJHSA-N
-rxn:4:214870:222622,CCC(C)c1cc(-c2cc(Cl)cnc2N2CCCC(C(=O)N3CCOCC3)C2)cc(C2CCCNC2)n1,HTVQSYHAJGZSAZ-UHFFFAOYSA-N
-rxn:4:214870:227252,CCCOc1cc(-c2cc(Cl)cnc2N2CCCC(C(=O)N3CCOCC3)C2)ccc1Cl,PWTRXJLUBUXLBQ-UHFFFAOYSA-N
-rxn:4:214873:223289,CNS(=O)(=O)c1ccccc1-c1cnc(N2CCCC(C(=O)N3CCOCC3)C2)c(F)c1,DSMGYEKMQGVVMV-UHFFFAOYSA-N
-rxn:4:214874:227464,CCCCSc1ncc(-c2cnc(N3CCOC(C(=O)N4CCCCC4)C3)c(F)c2)cn1,DUKIEPFRNZWELG-UHFFFAOYSA-N
-rxn:4:214890:225674,O=C(c1cncc(-c2cnc(C3CCCCC3)cc2F)c1)N1CCCN(C2CCSCC2)CC1,QNMXPIAXNQJNJS-UHFFFAOYSA-N
-rxn:4:214890:227702,COC(=O)c1cnc(F)c(-c2cncc(C(=O)N3CCCN(C4CCSCC4)CC3)c2)c1,JJDVRXHSVJUNSB-UHFFFAOYSA-N
-rxn:4:215059:223898,CC(C)N(C(=O)OC(C)(C)C)c1ccc(-c2cnn3c2CN(C(=O)OC(C)(C)C)CC3)cc1,CSPWPJAFFZIWBU-UHFFFAOYSA-N
-rxn:4:215146:223093,CC(C)S(=O)(=O)Nc1cncc(-c2cc(-n3nc(C(F)(F)F)c4c3CC(C)(C)CC4=O)ccc2C#N)c1,RPQBNMCYMHRJGD-UHFFFAOYSA-N
-rxn:4:215189:222584,CC(C)(C)C(=O)N1CCN(c2nc3ccc(-c4ccc(OCCCN5CCNCC5)c(F)c4)cc3s2)CC1,IICHOBGSCKRGNB-UHFFFAOYSA-N
-rxn:4:215896:222628,CN1CCN(c2ccc([N+](=O)[O-])cc2-c2cc(C3CCC3)nc(C3CCCNC3)c2)CC1,MHAYOFFPQQMPES-UHFFFAOYSA-N
-rxn:4:215940:222612,CN(C)C1CCN(c2ccc(-c3cc(S(=O)(=O)N4CCC(O)CC4)ccc3F)nc2)CC1,FTNHZMZPGRKHKY-UHFFFAOYSA-N
-rxn:4:215941:223992,Cc1ccc(-c2ccncc2N2CCC(N(C)C)CC2)cc1S(=O)(=O)N1CCN(C)CC1,MALSSOPKNJRNRV-UHFFFAOYSA-N
-rxn:4:217204:223542,Cc1nc(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCN(C)CC3)c2)cc(N2CCC(C)CC2)n1,MBNAXZVDAQAMCX-UHFFFAOYSA-N
-rxn:4:217215:223845,Cc1nc(N2CCC(C)CC2)ncc1-c1cc(F)c(F)cc1S(=O)(=O)N1CCN(C)CC1,IBTQPAYDCGNDAC-UHFFFAOYSA-N
-rxn:4:218578:222812,CC(C)(C)OC(=O)Nc1cc(-c2cnn(C3(CC#N)CCN(C(=O)OC(C)(C)C)CC3)c2)cnc1Cl,DYBQUCPZWTVIFJ-UHFFFAOYSA-N
-rxn:4:218578:223533,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cnn(C4(CC#N)CCN(C(=O)OC(C)(C)C)CC4)c3)c(F)c2)CC1,VYGXEKJWBVPVMP-UHFFFAOYSA-N
-rxn:4:218590:225633,N#Cc1ccccc1S(=O)(=O)N1CCCC(COc2ncc(-c3ccc(N4CCCCCC4)nc3)cn2)C1,HTDKNMIZWPQNOD-UHFFFAOYSA-N
-rxn:4:218590:225828,N#Cc1ccccc1S(=O)(=O)N1CCCC(COc2ncc(-c3cnc(N4CCCCCC4)nc3)cn2)C1,JUQJOSXLXFZJMG-UHFFFAOYSA-N
-rxn:4:218600:223671,CC(C)(C)OC(=O)N1CCN(CCn2cc(-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)cn2)CC1,YKSVDTQSCQJCFC-UHFFFAOYSA-N
-rxn:4:218655:223886,COc1cc(=O)n(C)cc1C(=O)N1CCC(COc2ncc(-c3cccc4c3CCN(C(=O)OC(C)(C)C)C4)cn2)CC1,GAVGSJWFDUSMDX-UHFFFAOYSA-N
-rxn:4:218666:222948,CC(C)(C)c1ccc(OCC2CCN(C(=O)c3cncc(-c4cnc(N5CCC(O)CC5)nc4Cl)c3)C2)nn1,SEJZDLKLGWVRKV-UHFFFAOYSA-N
-rxn:4:218677:222537,CCOc1ccc(-c2ccc(N3CCN(C(=O)c4ccc(-c5cc(C6CCCC6)nc(C6CCCNC6)c5)o4)CC3)nn2)cc1,VRDCGJJQDYULAF-UHFFFAOYSA-N
-rxn:4:218677:224683,CCOc1ccc(-c2ccc(N3CCN(C(=O)c4ccc(-c5cc(F)cc(C(=O)N6CCCCC6)c5)o4)CC3)nn2)cc1,OCHIVXQRCYTZSZ-UHFFFAOYSA-N
-rxn:4:218686:226303,CCCC(=O)c1ccc(Cl)c(-c2cnccc2N2CCC(OCC#CCN3CCN(C)CC3)CC2)c1,GNICPKUMWWYOJL-UHFFFAOYSA-N
-rxn:4:218831:224327,CC1CCCN(S(=O)(=O)c2cccc(-c3cnc(OCC4CCN(C(=O)c5cscn5)CC4)nc3)c2)C1,HCXQOVBUSVEYKG-UHFFFAOYSA-N
-rxn:4:218831:224328,CC1CCCCN1S(=O)(=O)c1cccc(-c2cnc(OCC3CCN(C(=O)c4cscn4)CC3)nc2)c1,TXDXOQGJKFQQCS-UHFFFAOYSA-N
-rxn:4:218832:224327,CC1CCCN(S(=O)(=O)c2cccc(-c3cnc(OCC4CCCN(C(=O)c5cscn5)C4)nc3)c2)C1,ZXYKLGPHELVNPH-UHFFFAOYSA-N
-rxn:4:218867:227103,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3sccc3C3CCCCC3)c2)no1,XBJQKXCQOWELEE-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:4:219011:223880,Cc1ccc2c(c1)cc(-c1cnc(N(C)C3CCN(C(=O)OC(C)(C)C)CC3)cn1)n2C(=O)OC(C)(C)C,AVSSXGSSUAOSAL-UHFFFAOYSA-N
-rxn:4:219053:223064,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cncc(-c4ccc(C5CCNCC5)nc4F)c3)cn2)CC1,CNVOMOMKMOAXKE-UHFFFAOYSA-N
-rxn:4:219129:223595,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(OCC4CCCN(Cc5nc6c(s5)CCC6)C4)nc3)cc2F)CC1,LMZMTURHHTUFMO-UHFFFAOYSA-N
-rxn:4:219175:224256,CC1CCCCN1C(=O)c1cc(-c2ccc(-c3cc(C(F)(F)F)n4nc(C(=O)N(C)C5CCCCC5)cc4n3)cc2)ccc1Cl,MYVIBPSXDGMNGT-UHFFFAOYSA-N
-rxn:4:219242:223883,CC(C)(C)OC(=O)N1CC(n2nncc2-c2ccc3c(c2)CCCN3C(=O)OC(C)(C)C)C1,QAVQZAPCPWLAGU-UHFFFAOYSA-N
-rxn:4:219243:223596,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)ccc2-c2ncn(C3CN(C(=O)OC(C)(C)C)C3)n2)CC1,KUBJVKFJRSOIOM-UHFFFAOYSA-N
-rxn:4:219254:223694,CCN1CCN(S(=O)(=O)c2cc(-c3cnccc3OC3CCN(Cc4nnco4)C3)c(F)cc2C)CC1,DRWBXYCIHGGYQR-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:4:219382:223670,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2ccc(-n3cnn(CCN4CCOCC4)c3=O)c(F)c2)CC1,BCZIVEWFEICLGW-UHFFFAOYSA-N
-rxn:4:219383:224280,CC(C)(C)OC(=O)N1CCc2sc(-c3cnc(OCC4CCCN(c5ccncc5Cl)C4)nc3)cc2C1,CSVABUIYVCZDQH-UHFFFAOYSA-N
-rxn:4:219404:224290,CC(C)(C)OC(=O)N1CCN(c2cncc(-c3ccc(Cl)cc3OCCN3CCOCC3)n2)CC1,XKVWQPUMEQDPOD-UHFFFAOYSA-N
-rxn:4:219405:225975,CC(C)(C)OC(=O)N1CCN(c2ccnc(-c3ccnc(N4CCOCC4)c3Cl)n2)CC1,VWILKJYMGPAOOA-UHFFFAOYSA-N
-rxn:4:219407:223937,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3cc4cccc(Cl)c4n3C(=O)OC(C)(C)C)cn2)CC1,VMASXBUNWDSBGS-UHFFFAOYSA-N
-rxn:4:219410:225904,CON(C)C(=O)c1ccc(F)c(-c2cnc(OC3CCN(S(=O)(=O)N4CCOCC4)C3)nc2)c1,UZBLOVYLMJEIQY-UHFFFAOYSA-N
-rxn:4:219410:227533,COC(=O)c1ccc(Cl)c(-c2cnc(OC3CCN(S(=O)(=O)N4CCOCC4)C3)nc2)c1,PTRBBEAHCKWRPS-UHFFFAOYSA-N
-rxn:4:219410:227570,CCOc1c(F)cc(-c2cnc(OC3CCN(S(=O)(=O)N4CCOCC4)C3)nc2)cc1Cl,NAJGNBHKMVXAHM-UHFFFAOYSA-N
-rxn:4:219452:223525,Cc1nc(-c2cccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)n(C2CCN(C(=O)OC(C)(C)C)CC2)n1,MCIPMYOGBMVMQT-UHFFFAOYSA-N
-rxn:4:219479:225943,O=C(c1ccc(-c2ccc(Cl)c(C(=O)N3CCCN(S(=O)(=O)c4c[nH]cn4)CC3)c2)s1)N1CCOCC1,RFCYEWXPOKYMLA-UHFFFAOYSA-N
-rxn:4:219488:223928,C[C@H]1CN(C(=O)OC(C)(C)C)CCN1c1ncc(-c2cnc3c(c2)CN(C(=O)OC(C)(C)C)CC3)cn1,BWFIORMPJNNKRF-SFHVURJKSA-N
-rxn:4:219488:225584,C[C@H]1CN(C(=O)OC(C)(C)C)CCN1c1ncc(-c2ccc(C(=O)N3CCCC3)cc2)cn1,PYOPNPCVHUQPAX-SFHVURJKSA-N
-rxn:4:219498:224400,COc1nc(N2CCOC(C(=O)N3CCOCC3)C2)ncc1-c1ccc(N2CCOCC2)c(C(F)(F)F)c1,IGWONSBRMSBTGK-UHFFFAOYSA-N
-rxn:4:219501:223028,CCCNC(=O)c1ccc(F)c(-c2cnc(SC)nc2N2CCOC(C(=O)N3CCOCC3)C2)c1,NHWWVZKDZMJONI-UHFFFAOYSA-N
-rxn:4:219531:222546,CSc1ncc(-c2ccc(OCCNC3CCCCC3)c(F)c2)c(N2CCOC(C(=O)N3CCCCC3)C2)n1,IVURQJSTJXJNGB-UHFFFAOYSA-N
-rxn:4:219534:223812,O=C(c1cncc(-c2cc(F)cc(CN3CCC4(CC3)OCCO4)c2)c1)N1CCC(n2nc(C3CC3)ccc2=O)CC1,RPGSZWRADZZJHW-UHFFFAOYSA-N
-rxn:4:219552:226249,CCCCOc1cc(Cl)cc(-c2cnc(N3CCC(C(=O)N4CCC(F)(F)CC4)CC3)nc2OC)c1,OESUYUONQKSHBT-UHFFFAOYSA-N
-rxn:4:219565:224193,CCN1CCN(Cc2cc(-c3ccc(S(=O)(=O)N4CCCN(c5nc(C)cc(C)c5C#N)CC4)cc3)ccc2F)CC1,PWCMVDSIPYYESG-UHFFFAOYSA-N
-rxn:4:219627:227724,CC(C)(C)OC(=O)N1C2CCC1CN(c1nnc(-c3cc(OC(F)F)ccc3F)s1)C2,FXZVFKCYZPVVGO-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:4:219653:223009,CC(C)(C)OC(=O)N1CCN(c2nc3ccc(-c4cc(Cl)cc(C5CCNCC5)c4)nc3s2)CC1,MTFONRHBEXTUIE-UHFFFAOYSA-N
-rxn:4:219689:223589,Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1cnc2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cn12,FTGIFLQIJRDHJO-UHFFFAOYSA-N
-rxn:4:219689:225803,CC(C)(C)OC(=O)N1CCN(c2ccc3ncc(-c4ccnc(OC5CCOCC5)c4)n3c2)CC1,UEGSJMXGLLCEDL-UHFFFAOYSA-N
-rxn:4:219691:226511,CC(C)(C)OC(=O)N1CCCC(c2cc(Cl)n3ncc(-c4cc(Cl)cnc4OCC4CC4)c3n2)C1,DFAOEUHCCUTMQZ-UHFFFAOYSA-N
-rxn:4:219704:225172,CC(C)(C)OC(=O)N1CCN(c2cnc3ccc(-c4cc(CN5CCOCC5)ccc4F)cc3n2)CC1,IJOZHOHAIJRHFJ-UHFFFAOYSA-N
-rxn:4:219707:228293,CN(C)CCn1cc(-c2c(Cl)cc3c(N4CCN(C(=O)OC(C)(C)C)CC4)ncnc3c2F)cn1,YZFAXTCFLLNALU-UHFFFAOYSA-N
-rxn:4:219880:222729,CCCc1cc(-c2cnc(SC)nc2N2CCN(S(C)(=O)=O)CC2)cc(C2CCCNC2)n1,YVBJZAPCSLJGRB-UHFFFAOYSA-N
-rxn:4:219938:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3ccc(S(=O)(=O)N4CCN(c5cnccn5)CC4)cc3)ccn2)CC1,IVENEKADUAPPHZ-UHFFFAOYSA-N
-rxn:4:219959:223816,C[Si](C)(C)CCOCn1c(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)nc2)cc2c(Cl)ccnc21,INAAVGKOMQSCHJ-UHFFFAOYSA-N
-rxn:4:219975:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2cnc(N3CCOC(C(=O)N4CCCCC4)C3)nc2)CC1,UZDOOWFULFGXDM-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:4:220039:222638,CC(NC(=O)OC(C)(C)C)c1cccc(-c2nnc3n2CN(C(=O)OC(C)(C)C)CC3)c1,VOKFEJJLOHPYBJ-UHFFFAOYSA-N
-rxn:4:220040:223501,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3nc4n(n3)CCN(C(=O)OC(C)(C)C)C4)cc2Cl)CC1,HJBKWHNLUWOKFA-UHFFFAOYSA-N
-rxn:4:220041:223635,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3nnn4c3CN(C(=O)OC(C)(C)C)CC4)cc2)CC1,QHUAEEKYYSPMFS-UHFFFAOYSA-N
-rxn:4:220049:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cn(CCN4CCOCC4)c4ncnc(Cl)c34)c2Cl)CC1,PSVCVSWWSXDSND-UHFFFAOYSA-N
-rxn:4:220049:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cn(CCN4CCOCC4)c4ncnc(Cl)c34)ccn2)CC1,OWOREYXEDYPRAA-UHFFFAOYSA-N
-rxn:4:220137:223493,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:4:220205:222584,O=C(C1CN(c2ncc3cc(-c4ccc(OCCCN5CCNCC5)c(F)c4)ccc3n2)CCO1)N1CCOCC1,JGFCDEWMGAXSTG-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:4:220209:224250,CC1CCCCN1C(=O)c1ccc(F)c(-c2ccccc2S(=O)(=O)N2CCCc3cnc(N4CCOCC4)nc32)c1,YFCCZCXFAAAMPC-UHFFFAOYSA-N
-rxn:4:220413:222584,CN(C)C1CCN(c2ncc(-c3ccc(OCCCN4CCNCC4)c(F)c3)cn2)CC1,RLTXEYDRKPLXAO-UHFFFAOYSA-N
-rxn:4:220531:223694,CCN1CCN(S(=O)(=O)c2cc(-c3cnc(N4CCC(c5noc6cc(F)ccc56)CC4)nc3)c(F)cc2C)CC1,ZPUSEICGQZEAGY-UHFFFAOYSA-N
-rxn:4:220935:223527,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)ccc2-c2cnc3ccc(N4CCOCC4)nn23)CC1,VKTCMPUBXUOKLK-UHFFFAOYSA-N
-rxn:4:220935:223529,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cnc4ccc(N5CCOCC5)nn34)cc2F)CC1,XIONZMILIOBOLB-UHFFFAOYSA-N
-rxn:4:220935:223530,CC(C)(C)OC(=O)N1CCN(Cc2ccc(F)cc2-c2cnc3ccc(N4CCOCC4)nn23)CC1,PCZJRAAFYUMSBV-UHFFFAOYSA-N
-rxn:4:220936:223529,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cn4ccnc4c(N4CCOCC4)n3)cc2F)CC1,BIGIYAHZPPBKJL-UHFFFAOYSA-N
-rxn:4:220936:223530,CC(C)(C)OC(=O)N1CCN(Cc2ccc(F)cc2-c2cn3ccnc3c(N3CCOCC3)n2)CC1,FRMLOLZABZYHPY-UHFFFAOYSA-N
-rxn:4:220936:223531,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cn4ccnc4c(N4CCOCC4)n3)cc2Cl)CC1,DGFBDUKRAKYURN-UHFFFAOYSA-N
-rxn:4:221090:222770,CCOC(=O)c1cnc(N2CCCC2)nc1Cn1cc(-c2ccc(C(=O)NC3CCCC3)c(Cl)c2)cn1,PDZKVGPSQWJDQD-UHFFFAOYSA-N
-rxn:4:221090:224759,CCOC(=O)c1cnc(N2CCCC2)nc1Cn1cc(-c2cc(F)cc(C(=O)N3CCOCC3)c2)cn1,OLMLVKWAQCUKNE-UHFFFAOYSA-N
-rxn:4:221101:224759,COc1nn(C)cc1C(=O)N1CCCC(COc2ncc(-c3cc(F)cc(C(=O)N4CCOCC4)c3)cn2)C1,JSRPQJWYGFBCHZ-UHFFFAOYSA-N
-rxn:4:221114:228172,CCOc1ccc(-c2cccc(OCC)c2F)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N3CCCC3)n2)CC1,RMZZUAYSOORQPY-UHFFFAOYSA-N
-rxn:4:221127:224327,CCOC(=O)C1CCN(c2nc3c(S(=O)(=O)c4ccc(-c5cccc(S(=O)(=O)N6CCCC(C)C6)c5)cc4)nnn3c3ccsc23)CC1,ABBWRTPGUHDUDI-UHFFFAOYSA-N
-rxn:4:221169:224462,Cn1cc(S(=O)(=O)N2CCCC(COc3ncc(-c4ccc(C5CCN(C6CC6)CC5)cc4)cn3)C2)cn1,SLVUVKHHKGFOBF-UHFFFAOYSA-N
-rxn:4:221178:224327,CC1CCCN(S(=O)(=O)c2cccc(-c3cnc(N4CCC(COc5ccc(C6CC6)nn5)CC4)nc3)c2)C1,TXAAXXKLARNTBJ-UHFFFAOYSA-N
-rxn:4:221193:225362,CN1CCN(C(=O)N2CCCC(COc3ncc(-c4cnn(S(=O)(=O)c5ccccc5)c4)cn3)C2)CC1,QSOJQDHMUCRQHV-UHFFFAOYSA-N
-rxn:4:221195:222584,O=C(c1ccc(-c2ccc(OCCCN3CCNCC3)c(F)c2)cc1)N1CCC(Cn2nc(-n3cccn3)ccc2=O)CC1,VNDHHAHYBMNCRI-UHFFFAOYSA-N
-rxn:4:221203:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(CCN2CCN(c3ccc(N4CCOCC4)nn3)CC2)cc1,QVKVKILXGFLGGC-UHFFFAOYSA-N
-rxn:4:221205:223062,Fc1cc(C2CCNCC2)ncc1-c1ccc(CCN2CCN(c3ccnc(N4CCOCC4)n3)CC2)cc1,GLSVAOHHNIVFBR-UHFFFAOYSA-N
-rxn:4:221205:223658,O=S(=O)(c1ccc(-c2ccc(CCN3CCN(c4ccnc(N5CCOCC5)n4)CC3)cc2)c2ccccc12)N1CCOCC1,KGLLHKGCHTUKMX-UHFFFAOYSA-N
-rxn:4:221208:224374,COc1ccc(S(=O)(=O)N2CCCC2)cc1-c1ccc(CCN2CCN(c3cc(C)nc(N4CCOCC4)n3)CC2)cc1,DZEWJLJXSZQIRB-UHFFFAOYSA-N
-rxn:4:221214:223970,CCN(CC)C(=O)Cn1c(-c2ccc(C)c(S(=O)(=O)N3CCC(C)CC3)c2)nc2c1c(=O)n(C)c(=O)n2C,CUHZCNQHUWQCSR-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:4:221249:225878,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc4c(-c5cc(Cl)cc(N6CCOCC6)c5)cnn4c3)cc2)CC1,YEVHIMVOPPTTBG-UHFFFAOYSA-N
-rxn:4:221252:226843,CCC1CCCCN1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(-c2ccc(C(=O)C(F)(F)F)nc2)cc1,BWQYBTDICXKSKD-UHFFFAOYSA-N
-rxn:4:221283:223696,N#Cc1cccnc1N1CC(Cn2cc(-c3ccc(S(=O)(=O)N4CCC5(CC4)OCCO5)cc3)cn2)C1,LLPYACCQLHVFFQ-UHFFFAOYSA-N
-rxn:4:221316:223536,CCc1cc(N2CC(Cn3cc(-c4cc(F)c(F)c(N5CCN(C(=O)OC(C)(C)C)CC5)c4)cn3)C2)ncn1,ZHVDWXSSTUMTQQ-UHFFFAOYSA-N
-rxn:4:221319:223602,CCc1ncnc(N2CC(Cn3cc(-c4ccnc(N5CCN(C(=O)OC(C)(C)C)CC5)c4Cl)cn3)C2)c1F,NWRPKXXTFDWAGC-UHFFFAOYSA-N
-rxn:4:221319:223687,CCc1ncnc(N2CC(Cn3cc(-c4cnc(N5CCN(C(=O)OC(C)(C)C)CC5)nc4)cn3)C2)c1F,RMAOQLHNVXGJJB-UHFFFAOYSA-N
-rxn:4:221345:223527,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)ccc2-c2cnc(OCC3CCN(c4ncc(Cl)cn4)CC3)nc2)CC1,ZQIVPFKWAUGJHG-UHFFFAOYSA-N
-rxn:4:221345:223532,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)cc(-c3cnc(OCC4CCN(c5ncc(Cl)cn5)CC4)nc3)c2)CC1,NAMZYVMAODIORY-UHFFFAOYSA-N
-rxn:4:221345:223595,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(OCC4CCN(c5ncc(Cl)cn5)CC4)nc3)cc2F)CC1,QAZKHPUIYHKYNO-UHFFFAOYSA-N
-rxn:4:221345:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cnc(OCC4CCN(c5ncc(Cl)cn5)CC4)nc3)c2Cl)CC1,UYXNHBQLRILMCU-UHFFFAOYSA-N
-rxn:4:221347:223527,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)ccc2-c2cnc(OCC3CCN(c4ncc(F)cn4)CC3)nc2)CC1,KTOYPMWEMJFLHD-UHFFFAOYSA-N
-rxn:4:221347:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cnc(OCC4CCN(c5ncc(F)cn5)CC4)nc3)c2Cl)CC1,BSLHLFIJGLBVLC-UHFFFAOYSA-N
-rxn:4:221348:223689,CCN1CCN(S(=O)(=O)c2cc(-c3cnc(OCC4CCCN(c5ncc(F)cn5)C4)nc3)ccc2OC)CC1,RKTSMAGVCKZQMA-UHFFFAOYSA-N
-rxn:4:221357:223536,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cnn(CC4CN(c5cc(C6CCC6)ncn5)C4)c3)cc(F)c2F)CC1,GVCBJNGSTOVHDS-UHFFFAOYSA-N
-rxn:4:221375:223533,Cn1cnc(N2CCCC(COc3ncc(-c4ccc(CN5CCN(C(=O)OC(C)(C)C)CC5)cc4F)cn3)C2)cc1=O,KDCNXAVCJIUAEV-UHFFFAOYSA-N
-rxn:4:221375:223787,CN1CCN(CCCOc2ccc(-c3cnc(OCC4CCCN(c5cc(=O)n(C)cn5)C4)nc3)cc2F)CC1,FHHLICLBYOBIDL-UHFFFAOYSA-N
-rxn:4:221375:224196,CCN1CCN(Cc2cc(F)cc(-c3cnc(OCC4CCCN(c5cc(=O)n(C)cn5)C4)nc3)c2)CC1,NNHBLFXLDWOEPV-UHFFFAOYSA-N
-rxn:4:221382:222426,CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)Nc1ccc(-c3cncc(C(=O)N4CCN(c5ccc(C6CC6)nn5)CC4)c3)cc12,GXTXWBWFFFSCFE-UHFFFAOYSA-N
-rxn:4:221395:223840,COc1ccc(-c2cnc(N3CCC(Cn4cnc(C5CC5)cc4=O)CC3)nc2)cc1S(=O)(=O)N1CCN(C)CC1,DMXIVFARVBSFJJ-UHFFFAOYSA-N
-rxn:4:221412:222809,Cc1nc(C)c(C)c(OCC2CCN(c3ncc(-c4cc(Cl)ncc4NC(=O)OC(C)(C)C)cn3)CC2)n1,IHPCTOPLQAPCOC-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:4:221416:223187,CONS(=O)(=O)c1cccc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCCCC5)nn4)CC3)o2)c1,FWBKSTWOULOEFG-UHFFFAOYSA-N
-rxn:4:221432:223840,COc1ccc(-c2cccc(C(=O)N3CCN(c4nc(C)cc(N5CCCC5)n4)CC3)c2)cc1S(=O)(=O)N1CCN(C)CC1,UUZGEEIXQVXZAZ-UHFFFAOYSA-N
-rxn:4:221432:224155,Cc1cc(N2CCCC2)nc(N2CCN(C(=O)c3cccc(-c4cc(C5CC5)cc(N5CCN(C)CC5)c4)c3)CC2)n1,CXDNOVFCPLKTSV-UHFFFAOYSA-N
-rxn:4:221433:224323,Cc1cc(N2CCCC2)nc(N2CCN(C(=O)c3ccc(-c4cc(C)c(S(=O)(=O)N5CCCC5)c(C)c4)cc3)CC2)n1,UPNLKMQKNSYHDG-UHFFFAOYSA-N
-rxn:4:221437:223816,C[Si](C)(C)CCOCn1c(-c2ccc(C(=O)N3CCN(c4ccc(N5CCCCCC5)nn4)CC3)o2)cc2c(Cl)ccnc21,JFVQGDCUICHFNW-UHFFFAOYSA-N
-rxn:4:221441:224328,Cc1cc(N2CCOCC2)nc(N2CCN(Cc3cccc(-c4cccc(S(=O)(=O)N5CCCCC5C)c4)c3)CC2)n1,KAOPAQWAXPNKID-UHFFFAOYSA-N
-rxn:4:221447:225684,Cc1cc(N2CCN(Cc3ccc(-c4ccc(C5CCOCC5)nc4C)cc3)CC2)nc(N2CCOCC2)n1,CGQDJGDMLOVWDB-UHFFFAOYSA-N
-rxn:4:221456:225219,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cnc(N5CCCCC5C)cc4F)cc3)CC2)n1,AIOMGGFWURGTHN-UHFFFAOYSA-N
-rxn:4:221498:224720,CC(C)(C)OC(=O)N1CCN(c2ncnc3[nH]cc(-c4cn(C(=O)OC(C)(C)C)nc4C4CC4)c23)CC1,QNAXIBGRMLMWOB-UHFFFAOYSA-N
-rxn:4:221502:222546,Fc1cc(-c2cnccc2OC2CCN(c3nccn4nc(C5CC5)cc34)C2)ccc1OCCNC1CCCCC1,JRMPLXUONHGSIM-UHFFFAOYSA-N
-rxn:4:221522:223945,COc1ccc2c(=O)n(CC3CCN(c4ncc(-c5ccc(OCCCN6CCOCC6)c(F)c5)cn4)CC3)cnc2c1,BHIUEHZQIBMHMP-UHFFFAOYSA-N
-rxn:4:221526:223481,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3ccccc3-c3nnc4sc(-c5cccc(S(=O)(=O)N6CCCCC6)c5)nn34)c(F)c2)CC1,KPCRMFJVCSXQMA-UHFFFAOYSA-N
-rxn:4:221555:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(-n2c(C)c(C)n3c4c(=O)n(CCCO)c(=O)n(C)c4nc23)cc1,OELIHVGUPQPDQR-UHFFFAOYSA-N
-rxn:4:221555:223699,Cc1c(C)n2c3c(=O)n(CCCO)c(=O)n(C)c3nc2n1-c1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2C(F)(F)F)cc1,ZNLPVCASVVXDSD-UHFFFAOYSA-N
-rxn:4:221613:224187,O=C(c1cncc(-c2ccc(OCCN3CCCCC3)cc2F)c1)N1CCN(c2ncc(F)cn2)C(=O)C1,HTTDNCYBUPOWAH-UHFFFAOYSA-N
-rxn:4:221641:222584,O=c1ccc(C2CC2)nn1C1CCN(c2ncc(-c3ccc(OCCCN4CCNCC4)c(F)c3)cn2)CC1,YODCNDQEJUMQDV-UHFFFAOYSA-N
-rxn:4:221641:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cnc(N4CCC(n5nc(C6CC6)ccc5=O)CC4)nc3)ccn2)CC1,KDSVMUDZBRSQSU-UHFFFAOYSA-N
-rxn:4:221721:223503,CC(C)(C)OC(=O)N1CCC(Oc2cc(F)c(-c3cnc(N4CCC(Cn5cnc6ccccc6c5=O)CC4)nc3)c(F)c2)CC1,XRJOWNVCHDCXEX-UHFFFAOYSA-N
-rxn:4:221723:223648,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(N4CCC(Cn5nc6c(cc5=O)CCC6)CC4)nc3)cc2)CC1,FQVAHCVFYWUGKH-UHFFFAOYSA-N
-rxn:4:221723:223775,COc1ccc2c(c1)c(-c1cnc(N3CCC(Cn4nc5c(cc4=O)CCC5)CC3)nc1)cn2C(=O)OC(C)(C)C,QYCTZTUNVWVDND-UHFFFAOYSA-N
-rxn:4:221731:222723,O=c1cc2c(nn1CC1CCN(c3ncc(-c4cccc(NS(=O)(=O)N5CCOCC5)c4)cn3)CC1)CCCC2,WWGABQYWYXGJAH-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:4:221832:222723,O=S1(=O)N=C(N2CCN(c3ncc(-c4cccc(NS(=O)(=O)N5CCOCC5)c4)cn3)CC2)c2ccccc21,NAWCTABLNIWWEM-UHFFFAOYSA-N
-rxn:4:221836:222851,CCc1cc(-c2cnc(N3CCCN(C4=NS(=O)(=O)c5ccccc54)CC3)nc2)cc(C2CCNCC2)n1,IIZHHIYDCCAQGN-UHFFFAOYSA-N
-rxn:4:221836:225232,CC1CCN(c2cc(-c3cnc(N4CCCN(C5=NS(=O)(=O)c6ccccc65)CC4)nc3)cnc2Cl)CC1,MHDDFJMKMBQXSD-UHFFFAOYSA-N
-rxn:4:221934:223489,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3cnc(OC4CCN(CCn5nccn5)CC4)nc3)cc2)CC1,CFFBUDWOUQAYNQ-UHFFFAOYSA-N
-rxn:4:221980:224280,CC(C)(C)OC(=O)N1CCN(c2cc(=O)n3nc(-c4cncc(-c5cc6c(s5)CCN(C(=O)OC(C)(C)C)C6)c4)sc3n2)CC1,GQRLJPGEOMAIJR-UHFFFAOYSA-N
-rxn:4:221980:225561,CC(C)(C)OC(=O)c1ccccc1-c1cncc(-c2nn3c(=O)cc(N4CCN(C(=O)OC(C)(C)C)CC4)nc3s2)c1,VEQXVXSJQHVLAT-UHFFFAOYSA-N
-rxn:4:221985:222546,Cn1cc(-c2nc3cnc(-c4ccc(OCCNC5CCCCC5)c(F)c4)cc3n2[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cn1,JURMCZUUJOIASJ-AREMUKBSSA-N
-rxn:4:222031:222524,CN(C)c1nccc(N2CCN(c3ncc(C(F)(F)F)cc3-c3cc(F)c(F)cc3S(=O)(=O)N3CCC(O)CC3)CC2)n1,CTJCEQJTKJDNPE-UHFFFAOYSA-N
-rxn:4:222031:222631,CN(C)c1nccc(N2CCN(c3ncc(C(F)(F)F)cc3-c3cc(C4CCNCC4)nc(C(C)(C)C)c3)CC2)n1,OPODBSFKRVLNQA-UHFFFAOYSA-N
-rxn:4:222044:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3ccc(S(=O)(=O)N4CCN(c5ccc(-n6ccc(C)n6)nn5)CC4)cc3)c2)CC1,MLWOFHRSPZSOAE-UHFFFAOYSA-N
-rxn:4:222045:223699,Cc1ccn(-c2ccc(N3CCN(S(=O)(=O)c4cccc(-c5ccc(S(=O)(=O)N6CCOCC6)cc5C(F)(F)F)c4)CC3)nn2)n1,VLJWUOSIJRSNAP-UHFFFAOYSA-N
-rxn:4:222046:224738,CCc1c(C)nc(C2CC2)nc1N1CCN(c2ncc(-c3cc(OCC4CC4)cc(C(F)(F)F)c3)cn2)CC1,SRHBTRUYIORNPB-UHFFFAOYSA-N
-rxn:4:222053:223679,CCc1cc(N2CCN(c3ncc(-c4cc(C)c(S(=O)(=O)N5CCN(CC)CC5)c(C)c4)cn3)CC2)nc(C(C)(C)C)n1,XYPHVCPTZZQYOR-UHFFFAOYSA-N
-rxn:4:222053:224010,CCc1cc(N2CCN(c3ncc(-c4cc(S(=O)(=O)N5CCOCC5)ccc4OC)cn3)CC2)nc(C(C)(C)C)n1,VFIVOVCSOYFOFS-UHFFFAOYSA-N
-rxn:4:222053:224773,CCc1cc(N2CCN(c3ncc(-c4ccc(S(=O)(=O)N5CCCC5)c(C)c4)cn3)CC2)nc(C(C)(C)C)n1,JUXVPZIPSWSBEW-UHFFFAOYSA-N
-rxn:4:222062:223257,CONC(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCN(C)CC5)n4)CC3)cc2)cc1,FGGJQGNVHGBDSR-UHFFFAOYSA-N
-rxn:4:222077:223689,CCN1CCN(S(=O)(=O)c2cc(-c3cnc(OCC4CCCN(c5nccn6nccc56)C4)nc3)ccc2OC)CC1,FLOVZEKPXVFVMW-UHFFFAOYSA-N
-rxn:4:222077:223830,CCN1CCN(S(=O)(=O)c2cc(-c3cnc(OCC4CCCN(c5nccn6nccc56)C4)nc3)ccc2C)CC1,BJQDTYZCXBYFOF-UHFFFAOYSA-N
-rxn:4:222156:223527,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)ccc2-c2cnc(N3CCN(c4ncnc(C5CC5)c4F)CC3)nc2)CC1,SJKKKVYVOBQICL-UHFFFAOYSA-N
-rxn:4:222173:223503,CC(C)(C)OC(=O)N1CCC(Oc2cc(F)c(-c3cnn(CC4CN(c5nccn6nccc56)C4)c3)c(F)c2)CC1,IJKZYRXJGQOKSC-UHFFFAOYSA-N
-rxn:4:222296:223689,CCN1CCN(S(=O)(=O)c2cc(-c3cnc(OCC4CCCN(c5ccc6nncn6n5)C4)nc3)ccc2OC)CC1,DBRINCMJZXEQBP-UHFFFAOYSA-N
-rxn:4:222296:223694,CCN1CCN(S(=O)(=O)c2cc(-c3cnc(OCC4CCCN(c5ccc6nncn6n5)C4)nc3)c(F)cc2C)CC1,KFWAKZBZXCDAGA-UHFFFAOYSA-N
-rxn:4:222296:223830,CCN1CCN(S(=O)(=O)c2cc(-c3cnc(OCC4CCCN(c5ccc6nncn6n5)C4)nc3)ccc2C)CC1,YMFSBZAUULJDRE-UHFFFAOYSA-N
-rxn:4:222297:223894,CCn1nnc2c(N3CCN(C(=O)c4ccc(-c5cccc(OCCCN6CCN(C)CC6)c5)o4)CC3)ncnc21,HFOJYHWMSOUOTO-UHFFFAOYSA-N
-rxn:4:222331:222740,CC(C)c1cc(-c2cnc(N3CCN(c4nccc(N5CCOCC5)n4)CC3)nc2)cc(C2CCCNC2)n1,OIGPYGYVKLIDEQ-UHFFFAOYSA-N
-rxn:4:222332:222714,CC(C)(C)OC(=O)Nc1cc(F)c(F)c(-c2cnc(N3CCN(c4cc(N5CCOCC5)ncn4)CC3)nc2)c1,HKQRUPIBMVAZCL-UHFFFAOYSA-N
-rxn:4:222333:222941,CONS(=O)(=O)c1c(C)cc(-c2cnc(N3CCN(c4ccc(N5CCOCC5)nn4)CC3)nc2)cc1C,AFSZNDOOMGGOMN-UHFFFAOYSA-N
-rxn:4:222334:222466,Cc1cc(N2CCCC2)nc(N2CCN(c3ncc(-c4cc(C5CCCCC5)nc(C5CCNCC5)c4)cn3)CC2)n1,KDTSDIGWPIJHBN-UHFFFAOYSA-N
-rxn:4:222334:222723,Cc1cc(N2CCCC2)nc(N2CCN(c3ncc(-c4cccc(NS(=O)(=O)N5CCOCC5)c4)cn3)CC2)n1,UCPXBMTXKDDGIC-UHFFFAOYSA-N
-rxn:4:222335:222723,Cc1cc(N2CCN(c3ncc(-c4cccc(NS(=O)(=O)N5CCOCC5)c4)cn3)CC2)nc(N2CCCC2)n1,YGAZCPXZZLTSBD-UHFFFAOYSA-N
-rxn:4:222335:222742,Cc1cc(N2CCN(c3ncc(-c4cc(C5CCNCC5)nc(C5CC5)c4)cn3)CC2)nc(N2CCCC2)n1,BYUKJPOSLKZKPO-UHFFFAOYSA-N
-rxn:4:222336:222584,Cc1cc(C)n(-c2ccc(=O)n(C3CCN(c4ncc(-c5ccc(OCCCN6CCNCC6)c(F)c5)cn4)CC3)n2)n1,OTSMVPMBOYHAQB-UHFFFAOYSA-N
-rxn:4:222337:222961,CCCCNC(=O)c1cccc(-c2cnc(N3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)nc2)c1,OCRFXCWGTMYWOE-UHFFFAOYSA-N
-rxn:4:222338:222723,Cc1nc(N2CCOCC2)cc(N2CCN(c3ncc(-c4cccc(NS(=O)(=O)N5CCOCC5)c4)cn3)CC2)n1,JAEBFIUCFASNOP-UHFFFAOYSA-N
-rxn:4:222338:223595,Cc1nc(N2CCOCC2)cc(N2CCN(c3ncc(-c4ccc(N5CCN(C(=O)OC(C)(C)C)CC5)c(F)c4)cn3)CC2)n1,OCUHFTVSLBCQHY-UHFFFAOYSA-N
-rxn:4:222338:224652,Cc1nc(N2CCOCC2)cc(N2CCN(c3ncc(-c4ccc(Cl)c(O[Si](C)(C)C(C)(C)C)c4)cn3)CC2)n1,XWJNLTQTVJMNHY-UHFFFAOYSA-N
-rxn:4:222360:222698,COCCn1cnc2c(N3CCN(c4ncc(-c5ccc(C(=O)N6CCC(O)CC6)c(Cl)c5)cn4)CC3)ncnc21,QJYSICSVURFHKK-UHFFFAOYSA-N
-rxn:4:222371:223689,CCN1CCN(S(=O)(=O)c2cc(-c3cnc(N4CCN(c5ccc(-n6ccc(C)n6)nn5)CC4)nc3)ccc2OC)CC1,FMIAZPOZTHXRAY-UHFFFAOYSA-N
-rxn:4:222379:223694,CCN1CCN(S(=O)(=O)c2cc(-c3cnc(N4CCN(c5ncnc6c5ncn6C5CC5)CC4)nc3)c(F)cc2C)CC1,XAUSMBQPOQAHAO-UHFFFAOYSA-N
-rxn:4:222389:188149,O=S(=O)(Oc1cccnc1-c1cc(C2CCNCC2)nc(C2CCNCC2)c1)C(F)(F)F,BZSNDPLATXNUAT-UHFFFAOYSA-N
-rxn:4:222389:204204,O=S(=O)(Oc1ccnn2cc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)cc12)C(F)(F)F,KZMLNDZYJUIIRB-UHFFFAOYSA-N
-rxn:4:222520:188672,CONS(=O)(=O)c1cc(F)c(F)cc1-c1ccc(C(F)(F)F)c(NC(=O)OC(C)(C)C)c1,XMPTWMFZECMIQG-UHFFFAOYSA-N
-rxn:4:222523:184224,Cc1ccc(C(=O)C(C)OC(=O)c2cc(-c3ccccc3)nc3c(C)cc(-c4ccc(S(=O)(=O)NC(C)(C)C)cc4C(F)(F)F)cc23)cc1,FSIZBVGMFSFXIQ-UHFFFAOYSA-N
-rxn:4:222523:184819,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc(CCC(=O)OC(C)(C)C)cn2)c(C(F)(F)F)c1,GEWBFTQFDHOWAM-UHFFFAOYSA-N
-rxn:4:222523:188294,CC(C)(C)NS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)c(C#N)cc2C(F)(F)F)c(C(F)(F)F)c1,GUKVULXCBYDMAQ-UHFFFAOYSA-N
-rxn:4:222582:206694,CS(=O)(=O)N1CCCC1c1cccc(-c2cccc(C(=O)NCCN3CCOCC3)c2)n1,YXFFWXCENVMNAH-UHFFFAOYSA-N
-rxn:4:222582:206714,CS(=O)(=O)N1CCCC1c1ccc(-c2cccc(C(=O)NCCN3CCOCC3)c2)cn1,SQHRQAGUZPTJAR-UHFFFAOYSA-N
-rxn:4:222583:206714,CS(=O)(=O)N1CCCC1c1ccc(-c2ccc(C(=O)NCCN3CCOCC3)cc2)cn1,PAVRRHPMNBBIIH-UHFFFAOYSA-N
-rxn:4:222630:203897,CCS(=O)(=O)N1CCN(c2cccc(-c3cc(C4CCC4)nc(C4CCNCC4)c3)c2)CC1,UXQWARMFDOLQMU-UHFFFAOYSA-N
-rxn:4:222630:214787,O=C1CN(S(=O)(=O)c2ccc(-c3cc(C4CCC4)nc(C4CCNCC4)c3)cc2)CCN1c1ccccn1,BNQANPOXWCXZOD-UHFFFAOYSA-N
-rxn:4:222633:206962,CS(=O)(=O)N1CCCC(c2ccc(-c3ccc(C(=O)NCCN4CCCC4)cc3)cn2)C1,SXBFGDCHUAMTFI-UHFFFAOYSA-N
-rxn:4:222712:187231,CCN(C1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(-c2ccc(NC(=O)OC(C)(C)C)c(F)c2F)cc1,JPOPJHKISFWOOC-UHFFFAOYSA-N
-rxn:4:222723:197908,O=C1Oc2cc(-c3cccc(NS(=O)(=O)N4CCOCC4)c3)ccc2CN1C1CCCC1,IFBVTIFWUHBHBW-UHFFFAOYSA-N
-rxn:4:222723:203950,CC(=O)N1CCCC(Cc2cccc(-c3cccc(NS(=O)(=O)N4CCOCC4)c3)n2)CC1,KWTQQXMMVVPUSL-UHFFFAOYSA-N
-rxn:4:222784:185087,COc1ccc(-c2ccc(NC(=O)OC(C)(C)C)c(F)c2)c(C(=O)N(C(C)C)C(C)C)c1,AHVXPGLDHSDAJQ-UHFFFAOYSA-N
-rxn:4:222792:184907,CN(C(=O)OC(C)(C)C)C(=O)c1ccccc1-c1cc(NC(=O)OC(C)(C)C)ccc1F,FARAKFJRENMKSB-UHFFFAOYSA-N
-rxn:4:222821:175597,CC(C)(C)NS(=O)(=O)c1cc(-c2ccc(C(F)(F)F)cc2C(=O)OC(C)(C)C)ccc1F,DIFXXTTYTMIBST-UHFFFAOYSA-N
-rxn:4:222821:189390,CC(C)(C)NS(=O)(=O)c1cc(-c2ccc(C(F)(F)F)cc2C(=O)N2CC(F)(F)C2)ccc1F,RMZUZFQEACDUNF-UHFFFAOYSA-N
-rxn:4:222881:199893,CC(C)(C)NC(=O)c1ccc(-c2ccc3c(c2)c(C(=O)CC#N)cn3C(=O)OC(C)(C)C)c(F)c1,LFDYCLSYEAWMCV-UHFFFAOYSA-N
-rxn:4:223100:185107,CNS(=O)(=O)c1ccc(OC)c(-c2cnc(S(=O)(=O)C(C)C)c(C(=O)OC(C)(C)C)c2)c1,DGQYMFWGHJXUTK-UHFFFAOYSA-N
-rxn:4:223520:179348,CC(c1cccc(-c2ccc(C(C)N3CCN(C(=O)OC(C)(C)C)CC3)cc2)c1)C(F)F,XJFCSTPWZPEUPU-UHFFFAOYSA-N
-rxn:4:223520:205209,COC(=O)c1nn(C)cc1-c1ccc(C(C)N2CCN(C(=O)OC(C)(C)C)CC2)cc1,SSQYOTSAKLJQKM-UHFFFAOYSA-N
-rxn:4:223521:175492,COC(=O)C(c1ccc(-c2cccc(C(C)N3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1)C(C)C,VGEAXNHEHLFOSD-UHFFFAOYSA-N
-rxn:4:223541:205342,NNS(=O)(=O)c1ccc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC3(CC2)OCCO3)cc1,WQVOGQYDWOEDNN-UHFFFAOYSA-N
-rxn:4:223541:205343,NNS(=O)(=O)c1cccc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC3(CC2)OCCO3)c1,SSMCUHUVASSRMO-UHFFFAOYSA-N
-rxn:4:223580:186840,COC(=O)c1ccc2c(c1)cc(-c1cccc(N(C)C(=O)OC(C)(C)C)c1)n2C(=O)OC(C)(C)C,INVIZZLGFRIJIL-UHFFFAOYSA-N
-rxn:4:223582:174134,COC(=O)c1ccc2cc(-c3ccccc3OC(C(=O)OC)C(C)C)n(C(=O)OC(C)(C)C)c2c1,BFNBDRIJKJCMFG-UHFFFAOYSA-N
-rxn:4:223641:178370,CCc1cc2c(cc1F)cc(-c1cc(C(C)(C)C)c(OC)c(C(C)(C)C)c1)n2C(=O)OC(C)(C)C,BJZBZZBVCZDTRO-UHFFFAOYSA-N
-rxn:4:223770:174522,CC(C)[Si](C#Cc1ccc(-c2cc3c(C#N)cccc3n2C(=O)OC(C)(C)C)cc1)(C(C)C)C(C)C,BHKVGLANSPNBTL-UHFFFAOYSA-N
-rxn:4:223830:176423,CCN1CCN(S(=O)(=O)c2cc(-c3cc(OC(F)(F)F)ccc3C(F)F)ccc2C)CC1,BOTDETAKTLNOOG-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:5:177739:223065:226663,CC(C)(C)OC(=O)c1cccc(-c2ccc(N3CCNCC3)cc2F)c1-c1ccc(N2CCSCC2)nc1,DICUHKHPBWKWRE-UHFFFAOYSA-N
-rxn:5:177850:227020:223064,CCOc1ccc(-c2cncc(C#CC3CC3)c2)c(C2OCCO2)c1-c1ccc(C2CCNCC2)nc1F,PTWUHPGBWVTRSY-UHFFFAOYSA-N
-rxn:5:177851:226587:226190,CCOc1c(-c2ccc(C3CCCC3)cc2F)cc(C2OCCO2)cc1-c1cnc(OC2CCC2)cc1F,HUGFQKVWLWNDOV-UHFFFAOYSA-N
-rxn:5:178121:226652:227710,Cc1cc(-c2c(OCC3CCOCC3)cccc2-c2ccc(OS(C)(=O)=O)cc2)n(C2CCCCO2)n1,XOLHJPFSHXZPQM-UHFFFAOYSA-N
-rxn:5:178295:223056:228242,COC(=O)C1(c2cc(-c3cc(C)c(F)cc3OC)ccc2-c2ccc(N3CCC(O)CC3)nc2)CCC(=O)CC1,AQMRQWPOCKSQMQ-UHFFFAOYSA-N
-rxn:5:178295:226753:228279,CCc1cc(F)c(-c2ccc(-c3ccc(OC)cc3C(F)(F)F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)c1,DSNSEYOYZRHKAV-UHFFFAOYSA-N
-rxn:5:178295:226778:227989,CC#Cc1ccc(F)c(-c2ccc(-c3cc(OC)c(OC)c(F)c3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,AEPVMAOPALQRPD-UHFFFAOYSA-N
-rxn:5:178295:226782:227309,CCC(C)c1cc(-c2ccc(-c3cc(F)c(C(=O)OC)cc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc(F)n1,HJLNERYJQPGNFJ-UHFFFAOYSA-N
-rxn:5:178295:227311:227826,CCC(C)c1cc(F)c(-c2ccc(-c3cccc(C(C)(C)C)c3)cc2C2(C(=O)OC)CCC(=O)CC2)cn1,GLXNRMOCIOOKDI-UHFFFAOYSA-N
-rxn:5:178295:227362:228430,CCOc1cc(C)cc(F)c1-c1ccc(-c2c(F)cc(SC)cc2F)cc1C1(C(=O)OC)CCC(=O)CC1,HUGXJZBWRLZVFV-UHFFFAOYSA-N
-rxn:5:178295:227518:227935,CCc1cc(-c2ccc(-c3ccc(OC)c(C#N)c3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)ccc1OC,GDPDSMAEQKXOEN-UHFFFAOYSA-N
-rxn:5:178295:227525:228419,CCc1cnc(C(F)F)cc1-c1ccc(-c2cc(F)c(SC)cc2F)cc1C1(C(=O)OC)CCC(=O)CC1,BICJQUWGFFLIDP-UHFFFAOYSA-N
-rxn:5:178295:228268:227102,COC(=O)C1(c2cc(-c3cc(C(C)(C)C)ccc3F)ccc2-c2ccc(C)c(F)c2SC)CCC(=O)CC1,XKVMTBOJQJSXFK-UHFFFAOYSA-N
-rxn:5:178295:228420:226589,COC(=O)C1(c2cc(-c3cc(C(F)F)ncc3C(C)C)ccc2-c2cc(F)c(SC)c(F)c2)CCC(=O)CC1,GDQHINUHCISALQ-UHFFFAOYSA-N
-rxn:5:178295:228420:227346,CCCc1cc(F)c(-c2ccc(-c3cc(F)c(SC)c(F)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)c1,YXCFTXPHPOAUAP-UHFFFAOYSA-N
-rxn:5:178466:225655:225834,CC1CCN(c2cncc(-c3ccc4c(-c5cc(N6CCCCC6)ncc5F)c(C(=O)OC(C)C)sc4c3)c2)CC1,VVPPORGFWHBNGU-UHFFFAOYSA-N
-rxn:5:178466:225834:225784,CC(C)OC(=O)c1sc2cc(-c3cc(N4CCCCC4)ncc3F)ccc2c1-c1ccc(CN2CCOCC2)nc1,GYKUVUKZPUMSNW-UHFFFAOYSA-N
-rxn:5:178466:225976:223056,CC(C)OC(=O)c1sc2cc(-c3ccnc(N4CCOCC4)c3F)ccc2c1-c1ccc(N2CCC(O)CC2)nc1,LMXWZWYUSXYUGL-UHFFFAOYSA-N
-rxn:5:178467:222986:227320,CCOC(=O)C1=Cc2cc(-c3c(OC)cccc3N(C)C)cc(-c3cc(C)nc(C4CCCNC4)c3)c2OC1,VBZJLUYMGAGNJN-UHFFFAOYSA-N
-rxn:5:178467:223011:223001,CCOC(=O)C1=Cc2cc(-c3cc(C4CCCNC4)ccc3F)cc(-c3cc4[nH]ncc4cc3OC(C)C)c2OC1,NMMAACQEWBWSLX-UHFFFAOYSA-N
-rxn:5:178467:223139:223064,CCOC(=O)C1=Cc2cc(-c3ccc(C4CCNCC4)nc3F)cc(-c3ccc(C4CCNCC4)nc3)c2OC1,WDFMFDKPHMDNIN-UHFFFAOYSA-N
-rxn:5:178467:225602:223134,CCOC(=O)C1=Cc2cc(-c3cnccc3C3CCCNC3)cc(-c3cc(C4(C#N)CCC4)ccc3F)c2OC1,HJYNAIYTLLMXEO-UHFFFAOYSA-N
-rxn:5:178467:225834:223140,CCOC(=O)C1=Cc2cc(-c3ccnc(C4CCCNC4)c3)cc(-c3cc(N4CCCCC4)ncc3F)c2OC1,UHODUJUNCYXSLJ-UHFFFAOYSA-N
-rxn:5:178467:225834:223141,CCOC(=O)C1=Cc2cc(-c3cncc(C4CCNCC4)c3)cc(-c3cc(N4CCCCC4)ncc3F)c2OC1,JIJZEBJVGYPYNI-UHFFFAOYSA-N
-rxn:5:178467:225976:228097,CCOC(=O)C1=Cc2cc(-c3cncc(CN(C)C)c3)cc(-c3ccnc(N4CCOCC4)c3F)c2OC1,BABXADJZVPYWDN-UHFFFAOYSA-N
-rxn:5:178467:225982:223138,CCOC(=O)C1=Cc2cc(-c3ccnc(C4CCNCC4)c3)cc(-c3cnc(N4CCOCC4)cc3F)c2OC1,XAJRSUKYKFNGTA-UHFFFAOYSA-N
-rxn:5:178467:226153:227078,CCOC(=O)C1=Cc2cc(-c3cc(OC)ccc3C3CC3)cc(-c3cc(C4CC4)c(OC)cc3C)c2OC1,INSZNSNULBJDIY-UHFFFAOYSA-N
-rxn:5:178467:226664:223065,CCOC(=O)C1=Cc2cc(-c3ccc(N4CCNCC4)cc3F)cc(-c3cc(N4CCCC4)ncc3F)c2OC1,BAPQUZCKYACLIY-UHFFFAOYSA-N
-rxn:5:178467:226679:226644,CCOC(=O)C1=Cc2cc(-c3cncc(N4CCOCC4)c3)cc(-c3cnc(N4CCCC4)cc3F)c2OC1,OKSDHFABRCVGDB-UHFFFAOYSA-N
-rxn:5:178467:227303:222981,CCOC(=O)C1=Cc2cc(-c3ccnc(NC4CCCCC4)c3)cc(-c3cccc(CN(C)C)c3F)c2OC1,JWBFQAFRFMUTHH-UHFFFAOYSA-N
-rxn:5:178467:228097:225976,CCOC(=O)C1=Cc2cc(-c3ccnc(N4CCOCC4)c3F)cc(-c3cncc(CN(C)C)c3)c2OC1,OBMDKWBIKQOREY-UHFFFAOYSA-N
-rxn:5:180021:225985:227119,COc1c(-c2cccc(N3CCCS3(=O)=O)c2)cc(C2OCCO2)cc1-c1cc(C2CCCCC2)cs1,HQYZIHIKSZKCAY-UHFFFAOYSA-N
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-rxn:5:180022:225985:226364,COc1c(-c2ccc(N3CCCCC3)nc2)ccc(-c2cccc(N3CCCS3(=O)=O)c2)c1C1OCCO1,SVELIHFILJRVDZ-UHFFFAOYSA-N
-rxn:5:180022:225985:226366,COc1c(-c2ccnc(N3CCCCC3)c2)ccc(-c2cccc(N3CCCS3(=O)=O)c2)c1C1OCCO1,QRHITRWTMRRZHK-UHFFFAOYSA-N
-rxn:5:180022:225986:223138,COc1c(-c2ccnc(C3CCNCC3)c2)ccc(-c2ccccc2N2CCCS2(=O)=O)c1C1OCCO1,NNFQATFVSDJLNJ-UHFFFAOYSA-N
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-rxn:5:180421:222957:223186,Cc1cc(-c2cc(CC3CCCCC3)ccc2-c2cnn(C3CCCCO3)c2)cc(C2CCCNC2)c1,ARGNJJDAMCTSOK-UHFFFAOYSA-N
-rxn:5:180422:225466:226686,Cc1cnn(C2CCCCO2)c1-c1cc(CC2CCCCC2)ccc1-c1ccc(N2CCCCC2C)cc1,YFSJHRUARPQSOU-UHFFFAOYSA-N
-rxn:5:180422:226414:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(CC2CCCCC2)ccc1-c1ccc(C2=NCCCO2)cc1,IPWJRYZFRUWHHI-UHFFFAOYSA-N
-rxn:5:180602:225849:226794,COC(=O)C1Cc2cc(-c3cnc(N4CCSCC4)nc3)cc(-c3cnc(N4CCCCC4)cc3F)c2O1,YBDVVJMFVDHBQS-UHFFFAOYSA-N
-rxn:5:180602:226031:223082,CNS(=O)(=O)c1c(C)cc(-c2cc3c(c(-c4ccc(C(F)(F)F)cc4C(F)F)c2)OC(C(=O)OC)C3)cc1C,FWRDJAYOGQLSRL-UHFFFAOYSA-N
-rxn:5:180662:223006:227506,COC(=O)C1=Cc2cc(-c3cccc(/C=C/[N+](=O)[O-])c3)cc(-c3ccc(F)c(C4CCNCC4)c3)c2OC1,MHANAXSZEMMALP-FMIVXFBMSA-N
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-rxn:5:180662:223061:227505,COC(=O)C1=Cc2cc(-c3ccc(/C=C/[N+](=O)[O-])cc3)cc(-c3cc(C4CCNCC4)ncc3F)c2OC1,SWMGIAYRMOSDOR-DHZHZOJOSA-N
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-rxn:5:180662:226685:226744,CCc1cc(-c2cc3c(c(-c4cnc(C5CCOCC5)nc4)c2)OCC(C(=O)OC)=C3)cnc1C(F)(F)F,GOKMOOKOCLDYJG-UHFFFAOYSA-N
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-rxn:5:180662:227501:223008,COC(=O)C1=Cc2cc(-c3cc(C4CCNCC4)ccc3F)cc(-c3ccc(C=C[N+](=O)[O-])cc3)c2OC1,MKNOZWLDHFRXJG-UHFFFAOYSA-N
-rxn:5:180662:227501:223058,COC(=O)C1=Cc2cc(-c3cc(F)nc(C4CCCNC4)c3)cc(-c3ccc(C=C[N+](=O)[O-])cc3)c2OC1,DPUQWHWBRXFAHZ-UHFFFAOYSA-N
-rxn:5:180662:227505:223058,COC(=O)C1=Cc2cc(-c3cc(F)nc(C4CCCNC4)c3)cc(-c3ccc(/C=C/[N+](=O)[O-])cc3)c2OC1,DPUQWHWBRXFAHZ-CSKARUKUSA-N
-rxn:5:180662:227506:223006,COC(=O)C1=Cc2cc(-c3ccc(F)c(C4CCNCC4)c3)cc(-c3cccc(/C=C/[N+](=O)[O-])c3)c2OC1,FMNJLAAYOMRMMM-FMIVXFBMSA-N
-rxn:5:180662:227506:223007,COC(=O)C1=Cc2cc(-c3cc(F)cc(C4CCNCC4)c3)cc(-c3cccc(/C=C/[N+](=O)[O-])c3)c2OC1,OKLVDNGSZLCSLP-JXMROGBWSA-N
-rxn:5:180662:227506:223008,COC(=O)C1=Cc2cc(-c3cc(C4CCNCC4)ccc3F)cc(-c3cccc(/C=C/[N+](=O)[O-])c3)c2OC1,YVIOPLIGWNMPLL-FMIVXFBMSA-N
-rxn:5:181624:225633:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2ccc(N3CCCCCC3)nc2)ccc1C1OCCO1,PGLBKUFCYWKXAY-UHFFFAOYSA-N
-rxn:5:181905:225407:225640,Cc1ccc(-c2ccnc(N3CCCCC3C)c2)c(C2OCCO2)c1-c1ccc(C2CCCCCC2)cc1,LNCZONKHRAMXLZ-UHFFFAOYSA-N
-rxn:5:181906:225987:225638,Cc1ccc(-c2ccc(N3CCCS3(=O)=O)cc2)c(C2OCCO2)c1-c1ccc(N2CCC(C)CC2)nc1,KKEDCBXDUMNXEF-UHFFFAOYSA-N
-rxn:5:181907:222959:225407,Cc1cc(-c2ccc(C3CCNCC3)c(C)c2)c(-c2ccc(C3CCCCCC3)cc2)c(C2OCCO2)c1,CNDSAYSITYSRJV-UHFFFAOYSA-N
-rxn:5:181908:225633:225986,Cc1cc(-c2ccc(N3CCCCCC3)nc2)c(-c2ccccc2N2CCCS2(=O)=O)cc1C1OCCO1,ASOPGXSGWQFZCT-UHFFFAOYSA-N
-rxn:5:181908:225985:226427,Cc1cc(-c2cccc(N3CCCS3(=O)=O)c2)c(-c2cc(N3CCC(C)CC3)cs2)cc1C1OCCO1,FMCWUPZLNKTHMM-UHFFFAOYSA-N
-rxn:5:182012:225832:227613,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2cnn(C3CCOCC3)c2)c(C2CCCOC2)c1,CHHIGQPXABNTRZ-UHFFFAOYSA-N
-rxn:5:183190:225498:225929,Cc1cc(-c2cc3c(c(-c4cc(C5CCCCC5)ccc4F)c2)CC(C)(C)C3=O)ccc1S(=O)(=O)N(C)C,AAUWHKVAAZHYSM-UHFFFAOYSA-N
-rxn:5:188446:223135:223062,COC(=O)c1cc(-c2cccnc2C2CCCNC2)c(-c2cnc(C3CCNCC3)cc2F)c([N+](=O)[O-])c1,XXOCXALBIMPGSK-UHFFFAOYSA-N
-rxn:5:188787:223135:223008,O=[N+]([O-])c1cc(-c2cccnc2C2CCCNC2)c(-c2cc(C3CCNCC3)ccc2F)cc1OC1CC1,VDAZCKGDSUWAMA-UHFFFAOYSA-N
-rxn:5:188787:223135:225934,O=[N+]([O-])c1cc(-c2cccnc2C2CCCNC2)c(-c2cnc(C(F)(F)F)c(C3CC3)c2)cc1OC1CC1,BLQQTRODYNSPEQ-UHFFFAOYSA-N
-rxn:5:188787:223140:223006,O=[N+]([O-])c1cc(-c2ccnc(C3CCCNC3)c2)c(-c2ccc(F)c(C3CCNCC3)c2)cc1OC1CC1,YEGJXNDFCWMYQR-UHFFFAOYSA-N
-rxn:5:188787:223140:225814,O=[N+]([O-])c1cc(-c2ccnc(C3CCCNC3)c2)c(-c2cccc(C3(C(F)(F)F)CC3)c2)cc1OC1CC1,RZNAJRASYFDCFE-UHFFFAOYSA-N
-rxn:5:188787:223141:225814,O=[N+]([O-])c1cc(-c2cncc(C3CCNCC3)c2)c(-c2cccc(C3(C(F)(F)F)CC3)c2)cc1OC1CC1,XIIHCOVRFAYXTP-UHFFFAOYSA-N
-rxn:5:188787:225933:223140,O=[N+]([O-])c1cc(-c2cc(C3CC3)nc(C(F)(F)F)c2)c(-c2ccnc(C3CCCNC3)c2)cc1OC1CC1,CMVXJLKUCYRVCL-UHFFFAOYSA-N
-rxn:5:188787:226177:225933,O=[N+]([O-])c1cc(-c2ccnc(C3CCCCC3)c2)c(-c2cc(C3CC3)nc(C(F)(F)F)c2)cc1OC1CC1,LDPLROSYHFTNCP-UHFFFAOYSA-N
-rxn:5:189001:227767:225831,CCn1cc(-c2ccc(-c3cnc(N4CCOCC4)c(C)c3)nc2C2(C(=O)OC)CC2)c(C(F)(F)F)n1,TWSQCBCEZOGJDE-UHFFFAOYSA-N
-rxn:5:189078:225976:225980,CCN(C)C(=O)c1cc(-c2ccnc(N3CCOCC3)c2F)ccc1-c1cc(N2CCOCC2)ncc1F,LOGQPDDHEVXXFV-UHFFFAOYSA-N
-rxn:5:189078:225978:225980,CCN(C)C(=O)c1cc(-c2ccc(N3CCOCC3)nc2F)ccc1-c1cc(N2CCOCC2)ncc1F,YKAGAQRWHDSSOX-UHFFFAOYSA-N
-rxn:5:189078:225980:225976,CCN(C)C(=O)c1cc(-c2cc(N3CCOCC3)ncc2F)ccc1-c1ccnc(N2CCOCC2)c1F,GOXXYAJOTKNOKI-UHFFFAOYSA-N
-rxn:5:189078:225980:225978,CCN(C)C(=O)c1cc(-c2cc(N3CCOCC3)ncc2F)ccc1-c1ccc(N2CCOCC2)nc1F,DXVGXYDXDPDXJC-UHFFFAOYSA-N
-rxn:5:189078:225980:225982,CCN(C)C(=O)c1cc(-c2cc(N3CCOCC3)ncc2F)ccc1-c1cnc(N2CCOCC2)cc1F,CRFOWKDRTUYUKC-UHFFFAOYSA-N
-rxn:5:189078:225982:225980,CCN(C)C(=O)c1cc(-c2cnc(N3CCOCC3)cc2F)ccc1-c1cc(N2CCOCC2)ncc1F,OTMIAUYQDSPGLI-UHFFFAOYSA-N
-rxn:5:189078:225982:225982,CCN(C)C(=O)c1cc(-c2cnc(N3CCOCC3)cc2F)ccc1-c1cnc(N2CCOCC2)cc1F,ITXLDMCHRMWPHV-UHFFFAOYSA-N
-rxn:5:189079:225784:225976,CCN(C)C(=O)c1ccc(-c2ccnc(N3CCOCC3)c2F)c(-c2ccc(CN3CCOCC3)nc2)c1,CZZFEYUGNNSHSZ-UHFFFAOYSA-N
-rxn:5:189080:225976:225982,CN(C)C(=O)Cc1ccc(-c2ccnc(N3CCOCC3)c2F)cc1-c1cnc(N2CCOCC2)cc1F,RWBSSPINWVAKTB-UHFFFAOYSA-N
-rxn:5:189080:225978:225982,CN(C)C(=O)Cc1ccc(-c2ccc(N3CCOCC3)nc2F)cc1-c1cnc(N2CCOCC2)cc1F,IUSADCBGHHYWNE-UHFFFAOYSA-N
-rxn:5:189080:225982:225978,CN(C)C(=O)Cc1ccc(-c2cnc(N3CCOCC3)cc2F)cc1-c1ccc(N2CCOCC2)nc1F,BWSWRGBFGPVGBG-UHFFFAOYSA-N
-rxn:5:189081:225976:225982,CN(C)C(=O)Cc1ccc(-c2cnc(N3CCOCC3)cc2F)cc1-c1ccnc(N2CCOCC2)c1F,QXTSBLFAOPUKBA-UHFFFAOYSA-N
-rxn:5:189081:225982:225976,CN(C)C(=O)Cc1ccc(-c2ccnc(N3CCOCC3)c2F)cc1-c1cnc(N2CCOCC2)cc1F,RWBSSPINWVAKTB-UHFFFAOYSA-N
-rxn:5:189083:225976:225980,CCN(C)C(=O)c1cccc(-c2ccnc(N3CCOCC3)c2F)c1-c1cc(N2CCOCC2)ncc1F,PTRWPILCXCMCCY-UHFFFAOYSA-N
-rxn:5:189083:225978:225980,CCN(C)C(=O)c1cccc(-c2ccc(N3CCOCC3)nc2F)c1-c1cc(N2CCOCC2)ncc1F,JPYGMIVEXOFNNK-UHFFFAOYSA-N
-rxn:5:189083:225980:225976,CCN(C)C(=O)c1cccc(-c2cc(N3CCOCC3)ncc2F)c1-c1ccnc(N2CCOCC2)c1F,OBHLRFNQXSRPBJ-UHFFFAOYSA-N
-rxn:5:189083:225980:225982,CCN(C)C(=O)c1cccc(-c2cc(N3CCOCC3)ncc2F)c1-c1cnc(N2CCOCC2)cc1F,RPMBPMCNIMXXKO-UHFFFAOYSA-N
-rxn:5:189083:225982:225980,CCN(C)C(=O)c1cccc(-c2cnc(N3CCOCC3)cc2F)c1-c1cc(N2CCOCC2)ncc1F,QSOPMSBPMRKYNZ-UHFFFAOYSA-N
-rxn:5:189209:223061:229089,CC(=O)c1sccc1-c1cc(C(=O)ON2C(=O)CCC2=O)cc(-c2cc(C3CCNCC3)ncc2F)c1,PFMUXLRFJFSUAR-UHFFFAOYSA-N
-rxn:5:189209:226901:225623,O=C(ON1C(=O)CCC1=O)c1cc(-c2cccc(OC3CCOCC3)c2)cc(-c2cccc(S(F)(F)(F)(F)F)c2)c1,JHGPHTKWWWAPII-UHFFFAOYSA-N
-rxn:5:189209:228872:223062,COC(=O)c1sccc1-c1cc(C(=O)ON2C(=O)CCC2=O)cc(-c2cnc(C3CCNCC3)cc2F)c1,PPIQMMSHDJHMHG-UHFFFAOYSA-N
-rxn:5:189210:227419:227284,N#Cc1cc(-c2cccc(-c3ccc(C4CCC4)nc3F)c2C(=O)ON2C(=O)CCC2=O)c(C2CC2)cn1,LBYXYSKTNAKIAZ-UHFFFAOYSA-N
-rxn:5:189211:226863:227072,COc1cc(C2CC2)ccc1-c1c(C(=O)ON2C(=O)CCC2=O)cccc1-c1ccc(OC(F)(F)F)cc1F,HTMRTWVOYBSBDJ-UHFFFAOYSA-N
-rxn:5:189212:222414:227657,Cc1ccc(S(N)(=O)=O)c(-c2cc(C(=O)ON3C(=O)CCC3=O)ccc2-c2ccc(N3CCOCC3)s2)c1,NUMZJGILILTSGW-UHFFFAOYSA-N
-rxn:5:189212:223014:223061,COC(=O)c1cccc2[nH]c(-c3cc(C(=O)ON4C(=O)CCC4=O)ccc3-c3cc(C4CCNCC4)ncc3F)cc12,JWMPRURFWSVSBJ-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:5:189320:225784:225469,CC1CCCN(c2ccc(-c3ncc(C(=O)OC(C)(C)C)cc3-c3ccc(CN4CCOCC4)nc3)cc2)C1,VYYNOLKWOWHMPF-UHFFFAOYSA-N
-rxn:5:189337:226338:225815,COc1c(-c2ccnc(OC3CCCC3)c2)cc(C(=O)N(C)C)cc1-c1ccc(C2CC2)cc1C(F)(F)F,XELAGYXFDLNLHE-UHFFFAOYSA-N
-rxn:5:189669:227119:226895,CC(C)(C)S(=O)/N=C/c1ccc(-c2cc(C3CCCCC3)cs2)c(-c2cc(F)c(C(F)(F)F)cc2F)c1,FOFSHQDSGOWFTP-PUHLOBNQSA-N
-rxn:5:189670:226333:225617,CC(C)(C)S(=O)/N=C/c1cc(-c2cccc(C(=O)N3CCC3)c2)ccc1-c1ccc(OC2CCCCO2)cc1,JGKOGNZXEBMNPQ-STKMKYKTSA-N
-rxn:5:189671:223143:226852,COc1ncc(-c2cccc(-c3cccc(N4CCC(O)C4)c3)c2/C=N/S(=O)C(C)(C)C)cc1C(F)(F)F,ZONPRHPMKXLDHY-MHDJOFBISA-N
-rxn:5:189718:223068:223140,O=[N+]([O-])c1cc(-c2ccnc(C3CCCNC3)c2)c(-c2ccc3[nH]c(C(F)(F)F)cc3c2)cc1OC1CCOCC1,FMRLSQGTAZUXFH-UHFFFAOYSA-N
-rxn:5:189718:223068:226571,O=[N+]([O-])c1cc(-c2cnn(CC3CCOCC3)c2)c(-c2ccc3[nH]c(C(F)(F)F)cc3c2)cc1OC1CCOCC1,WGGXOZTZKISUOS-UHFFFAOYSA-N
-rxn:5:189718:223090:227103,O=[N+]([O-])c1cc(-c2sccc2C2CCCCC2)c(-c2ccc3[nH]nc(C(F)(F)F)c3c2)cc1OC1CCOCC1,XWNFVTYWQBWKOZ-UHFFFAOYSA-N
-rxn:5:189718:223134:228971,O=[N+]([O-])c1cc(-c2csc(C(F)(F)F)c2)c(-c2cnccc2C2CCCNC2)cc1OC1CCOCC1,GHOJNFJTJVOZSN-UHFFFAOYSA-N
-rxn:5:189718:223138:228481,O=[N+]([O-])c1cc(-c2ccnc(C(F)(F)F)c2)c(-c2ccnc(C3CCNCC3)c2)cc1OC1CCOCC1,BOLLVHHAPMGIPL-UHFFFAOYSA-N
-rxn:5:189718:223140:223068,O=[N+]([O-])c1cc(-c2ccc3[nH]c(C(F)(F)F)cc3c2)c(-c2ccnc(C3CCCNC3)c2)cc1OC1CCOCC1,WQFCCFKDOFYHHT-UHFFFAOYSA-N
-rxn:5:189718:223140:228481,O=[N+]([O-])c1cc(-c2ccnc(C(F)(F)F)c2)c(-c2ccnc(C3CCCNC3)c2)cc1OC1CCOCC1,UNXJATKEFNASIW-UHFFFAOYSA-N
-rxn:5:189718:225810:227767,CCn1cc(-c2cc([N+](=O)[O-])c(OC3CCOCC3)cc2-c2ccc(OC)cc2C2OCCO2)c(C(F)(F)F)n1,MDTHDBZIVXUSHI-UHFFFAOYSA-N
-rxn:5:189718:226447:223438,O=[N+]([O-])c1cc(-c2cn[nH]c2C(F)(F)F)c(-c2ccnc(C3CCOCC3)c2)cc1OC1CCOCC1,LSNXWKQWQQPBQU-UHFFFAOYSA-N
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-rxn:5:189718:227404:223438,O=[N+]([O-])c1cc(-c2cn[nH]c2C(F)(F)F)c(-c2cc(N3CCCCC3)cs2)cc1OC1CCOCC1,BKUNLAIGXXQBKO-UHFFFAOYSA-N
-rxn:5:189718:227450:223138,O=[N+]([O-])c1cc(-c2ccnc(C3CCNCC3)c2)c(-c2cccc(C3CC3(F)F)c2)cc1OC1CCOCC1,ILMVJTZWOGEYFO-UHFFFAOYSA-N
-rxn:5:189718:227656:223438,O=[N+]([O-])c1cc(-c2cn[nH]c2C(F)(F)F)c(-c2cc(N3CCOCC3)cs2)cc1OC1CCOCC1,PFULDPHMVGRAQT-UHFFFAOYSA-N
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-rxn:5:189718:228969:223135,O=[N+]([O-])c1cc(-c2cccnc2C2CCCNC2)c(-c2cscc2C(F)(F)F)cc1OC1CCOCC1,URWDEPFERYCGJL-UHFFFAOYSA-N
-rxn:5:189827:225622:226135,Cc1cc(C#N)c(C2CC2)cc1-c1ccc(CC(=O)N2CCOCC2)cc1-c1ccccc1OC1CCCCO1,CMEPKBOADRFUJZ-UHFFFAOYSA-N
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-rxn:5:189908:225934:227804,O=[N+]([O-])c1cc(-c2ncc(-c3cnc(C(F)(F)F)c(C4CC4)c3)cc2OCC2CCCCC2)c([N+](=O)[O-])s1,HKVJWMFXEJFPOM-UHFFFAOYSA-N
-rxn:5:189909:225982:226644,Fc1cc(N2CCOCC2)ncc1-c1ccc(-c2cncc(N3CCOCC3)c2)cc1CCN1CCOCC1,GETCSEPGOLOGJV-UHFFFAOYSA-N
-rxn:5:189910:223105:227582,CCOc1c(-c2ccc(-c3cc(S(=O)(=O)NC)c(C)cc3F)cc2CCN2CCOCC2)ccc(F)c1F,WARFICNRHVUOPH-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:5:190000:226644:227350,COc1cc(C)cc(OC)c1-c1ccc(CC(=O)N2CCCCC2)c(-c2cncc(N3CCOCC3)c2)c1,GMNALERLBWAUQW-UHFFFAOYSA-N
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-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:5:190128:226333:227316,COC1CCN(C(=O)c2ccc(-c3cccc(C(=O)N4CCC4)c3)c(-c3cc(F)nc(CC(C)C)c3)c2)CC1,FDIFRQTXLSIWSV-UHFFFAOYSA-N
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-rxn:5:190131:227613:227899,CCC#Cc1cncc(-c2cc(C(=O)N3CCCCC3)cc(-c3cnn(C4CCOCC4)c3)c2OC)c1,JMOGUUPYEPYCSZ-UHFFFAOYSA-N
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-rxn:5:190194:225982:228695,COC1CCN(Cc2cccc(-c3cnc(N4CCOCC4)cc3F)c2-c2csc(CN(C)C)c2)CC1,BLGKFIUQFPDMQH-UHFFFAOYSA-N
-rxn:5:190194:226654:228361,COC1CCN(Cc2cccc(-c3csc(N4CCC(C)CC4)n3)c2-c2cc(N(C)C)ncc2F)CC1,WWTYIADCFJKGCX-UHFFFAOYSA-N
-rxn:5:190194:227303:226794,COC1CCN(Cc2cccc(-c3cccc(CN(C)C)c3F)c2-c2cnc(N3CCSCC3)nc2)CC1,QXTDQGYEHQYXOX-UHFFFAOYSA-N
-rxn:5:190194:228097:225982,COC1CCN(Cc2cccc(-c3cncc(CN(C)C)c3)c2-c2cnc(N3CCOCC3)cc2F)CC1,IQUMULNBCQMSHE-UHFFFAOYSA-N
-rxn:5:190194:228363:225976,COC1CCN(Cc2cccc(-c3cnc(N(C)C)cc3F)c2-c2ccnc(N3CCOCC3)c2F)CC1,ILGYVLXBJSNGDP-UHFFFAOYSA-N
-rxn:5:190194:228363:225982,COC1CCN(Cc2cccc(-c3cnc(N(C)C)cc3F)c2-c2cnc(N3CCOCC3)cc2F)CC1,PRCZBMGQARQQCV-UHFFFAOYSA-N
-rxn:5:190196:226177:225395,CN(Cc1ccc(-c2ccnc(C3CCCCC3)c2)cc1-c1cc(C2CC2)cc(C(C)(C)C)c1)C1CCOCC1,KDNIAFNKJSUANM-UHFFFAOYSA-N
-rxn:5:190197:225834:228712,CN(Cc1ccc(-c2ccnn2C2CCC2)cc1-c1cc(N2CCCCC2)ncc1F)C1CCOCC1,LSYXREWJQIJCDQ-UHFFFAOYSA-N
-rxn:5:190199:222981:228361,CN(C)c1cc(-c2ccc(-c3ccnc(NC4CCCCC4)c3)c(CN(C)C3CCOCC3)c2)c(F)cn1,XVCOFPPFXSDIQE-UHFFFAOYSA-N
-rxn:5:190199:223065:223113,CN(Cc1cc(-c2ccc3c(c2)C(C)(C)C(=O)N3)ccc1-c1ccc(N2CCNCC2)cc1F)C1CCOCC1,CTMQIRRKHGJZIB-UHFFFAOYSA-N
-rxn:5:190199:228361:222981,CN(C)c1cc(-c2ccc(-c3ccnc(NC4CCCCC4)c3)cc2CN(C)C2CCOCC2)c(F)cn1,QAOCYVVFUXKAHT-UHFFFAOYSA-N
-rxn:5:190200:227338:223136,CC(C)Oc1ccc(F)c(-c2cc(CN(C)C3CCOCC3)cc(-c3ccncc3C3CCCNC3)c2)c1,PFVFVITZYKAQOV-UHFFFAOYSA-N
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-rxn:5:190201:223113:227491,CC1CN(CCc2cc(-c3ccc4c(c3)C(C)(C)C(=O)N4)ccc2-c2cnc(OC3CCC3)nc2)CCO1,FBHREQAWIIYXAQ-UHFFFAOYSA-N
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-rxn:5:190335:223147:226154,COc1cc(C(C)(C)C)ccc1-c1cc(C(=O)N2CCCCC2C)cc(-c2ccc(C3CNCCO3)cc2)c1OC,NYHVURDTEMQDJP-UHFFFAOYSA-N
-rxn:5:190335:227045:227525,CCc1cnc(C(F)F)cc1-c1cc(C(=O)N2CCCCC2C)cc(-c2cccc(SC(C)(C)C)c2)c1OC,IECRUHOAZPLRFO-UHFFFAOYSA-N
-rxn:5:190336:227057:227085,COc1cccc(-c2cc(C(=O)N3CCCC(C)C3)cc(-c3ccc(C4CCCC4)nc3)c2OC)c1C1CC1,XRRDQXXSIFMITN-UHFFFAOYSA-N
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-rxn:5:190484:227077:228967,CCC(C)c1ccc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4cn(C)nc4C(F)F)S(=O)(=O)CC3)c2)c(F)c1,CZDFTKOYIONWMZ-UHFFFAOYSA-N
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-rxn:5:190741:223065:223061,CCOC(=O)c1cnc2c(-c3ccc(N4CCNCC4)cc3F)cc(C)cc2c1-c1cc(C2CCNCC2)ncc1F,OAYZAKRLSWCAHD-UHFFFAOYSA-N
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-rxn:5:190742:225784:225655,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(CN4CCOCC4)nc3)c2c1-c1cncc(N2CCC(C)CC2)c1,UNMNMLNJKWOGPZ-UHFFFAOYSA-N
-rxn:5:190742:225803:225976,CCOC(=O)c1cnc2c(C)ccc(-c3ccnc(OC4CCOCC4)c3)c2c1-c1ccnc(N2CCOCC2)c1F,PCODJNKENVMCJF-UHFFFAOYSA-N
-rxn:5:190742:225849:223061,CCOC(=O)c1cnc2c(C)ccc(-c3cnc(N4CCCCC4)cc3F)c2c1-c1cc(C2CCNCC2)ncc1F,VXMBPIJTBOULDU-UHFFFAOYSA-N
-rxn:5:190742:225978:225834,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(N4CCOCC4)nc3F)c2c1-c1cc(N2CCCCC2)ncc1F,OTMRJDSVFXGXDJ-UHFFFAOYSA-N
-rxn:5:190742:225980:223061,CCOC(=O)c1cnc2c(C)ccc(-c3cc(N4CCOCC4)ncc3F)c2c1-c1cc(C2CCNCC2)ncc1F,HITFDQCOVOZPFU-UHFFFAOYSA-N
-rxn:5:190742:226571:225598,CCOC(=O)c1cnc2c(C)ccc(-c3cnn(CC4CCOCC4)c3)c2c1-c1cccc(CN2CCSCC2)c1,VZPAYXGIUILRSM-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:5:190743:225590:225655,CCOC(=O)c1cnc2c(C)c(-c3ccc(CN4CCCC4)c(F)c3)ccc2c1-c1cncc(N2CCC(C)CC2)c1,YEQSQSUNIKWSDW-UHFFFAOYSA-N
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-rxn:5:190743:225834:223064,CCOC(=O)c1cnc2c(C)c(-c3cc(N4CCCCC4)ncc3F)ccc2c1-c1ccc(C2CCNCC2)nc1F,HWBWRBNKXVNWNB-UHFFFAOYSA-N
-rxn:5:190744:225834:225980,CCOC(=O)c1cnc2c(-c3cc(N4CCCCC4)ncc3F)c(C)ccc2c1-c1cc(N2CCOCC2)ncc1F,HDGDNUQUVCNWCM-UHFFFAOYSA-N
-rxn:5:190744:225976:223061,CCOC(=O)c1cnc2c(-c3ccnc(N4CCOCC4)c3F)c(C)ccc2c1-c1cc(C2CCNCC2)ncc1F,OZNOAKRNQSZXIJ-UHFFFAOYSA-N
-rxn:5:190797:225453:226350,COC(=O)c1c(C)ccc(-c2cc(-c3cccc(SC4CCCCC4)c3)cc3c2ccn3C(=O)OC(C)(C)C)c1C,WDPLCXUZFZODIM-UHFFFAOYSA-N
-rxn:5:190833:228236:227316,CC(C)Cc1cc(-c2ccc(-c3ccnc(F)c3C3CC3)c3c2CN(C(=O)OC(C)(C)C)C3=O)cc(F)n1,CRLNAFXGJLHBQE-UHFFFAOYSA-N
-rxn:5:190859:227048:227525,CCc1cnc(C(F)F)cc1-c1c(-c2ccc(C(=O)C(C)C)cc2)ccc2c1CCN2C(=O)OC(C)(C)C,VBXCLTDCPXHTDZ-UHFFFAOYSA-N
-rxn:5:190993:222980:227309,CCC(C)c1cc(-c2ccc(CCN3Cc4cc(-c5ccc(CN6CCNCC6)cc5)ccc4OCC3=O)cc2)cc(F)n1,SPNLCFZQSSXTFU-UHFFFAOYSA-N
-rxn:5:191026:226913:228181,CCc1cc(-c2ccc3c(c2)N(c2ccc(C)c(-c4ccc(F)cc4COC)c2)C=C(C(=O)OC)S3(=O)=O)cc(C2CC2)c1,STKDPGQBMLHTQR-UHFFFAOYSA-N
-rxn:5:191026:227940:226748,CCc1cc(SC)cc(-c2ccc3c(c2)N(c2ccc(C)c(-c4ccc(C(F)(F)F)cc4OC)c2)C=C(C(=O)OC)S3(=O)=O)c1,QNWMOGYZWPWIJQ-UHFFFAOYSA-N
-rxn:5:191026:228189:227568,CCSc1ccc(F)c(-c2ccc3c(c2)N(c2ccc(C)c(-c4c(F)cc(OC)cc4OC)c2)C=C(C(=O)OC)S3(=O)=O)c1,TUIUJAUNIIZOAT-UHFFFAOYSA-N
-rxn:5:191049:225784:226664,COc1cc(N2Cc3cc(-c4ccc(CN5CCOCC5)nc4)ccc3OCC2=O)c(OC)cc1-c1cc(N2CCCC2)ncc1F,FQZOOSMYQMJDQT-UHFFFAOYSA-N
-rxn:5:192560:225394:225802,O=C(c1cc(-c2cc(C3CCC3)cc(C3CC3)c2)ccc1-c1ccc(OC2CCCC2)nc1F)N1CCC1,MMWFWLKEYJYKKE-UHFFFAOYSA-N
-rxn:5:192561:223006:226662,CN1CCN(c2ccc(-c3ccc(-c4ccc(F)c(C5CCNCC5)c4)c(C(=O)N4CCC4)c3)s2)CC1,FAHDYKAXGGHOAX-UHFFFAOYSA-N
-rxn:5:193055:226842:223065,N#CC1(c2ccc(-c3cncc(C(=O)C(F)(F)F)c3)cc2-c2ccc(N3CCNCC3)cc2F)CCCC1,JOTDYYBHEUSADI-UHFFFAOYSA-N
-rxn:5:193226:223065:225655,CC1CCN(c2cncc(-c3cc(C(=O)N4CCOCC4)ccc3-c3ccc(N4CCNCC4)cc3F)c2)CC1,ZTFUNXUSZFQDRU-UHFFFAOYSA-N
-rxn:5:193226:227316:225784,CC(C)Cc1cc(-c2ccc(C(=O)N3CCOCC3)cc2-c2ccc(CN3CCOCC3)nc2)cc(F)n1,HNQCZSUBERLFRE-UHFFFAOYSA-N
-rxn:5:193227:223061:225655,CC1CCN(c2cncc(-c3cc(C(=O)N4CCOCC4)cc(-c4cc(C5CCNCC5)ncc4F)c3)c2)CC1,UTLDWMORVGCHGS-UHFFFAOYSA-N
-rxn:5:193228:222990:226917,Cc1cc(-c2cc(C(=O)N3CCSCC3)cc(-c3ccc(N4CCC(O)CC4)cc3)c2)cc(C(C)(C)C)c1,WHCJOLFTJIPYLY-UHFFFAOYSA-N
-rxn:5:193230:223006:225784,O=C(c1ccc(-c2ccc(F)c(C3CCNCC3)c2)cc1-c1ccc(CN2CCOCC2)nc1)N1CCOCC1,DHOUKMGQEZNLRK-UHFFFAOYSA-N
-rxn:5:193230:223061:226679,O=C(c1ccc(-c2cc(C3CCNCC3)ncc2F)cc1-c1cnc(N2CCCC2)cc1F)N1CCOCC1,AMKUAAOWPILXDR-UHFFFAOYSA-N
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-rxn:5:193230:225976:227316,CC(C)Cc1cc(-c2cc(-c3ccnc(N4CCOCC4)c3F)ccc2C(=O)N2CCOCC2)cc(F)n1,BHMJCCQEESUQLL-UHFFFAOYSA-N
-rxn:5:193329:223140:226042,O=[N+]([O-])c1ccc(-c2c(-c3ccnc(C4CCCNC4)c3)ccnc2OC2CCCCC2)c(C(F)(F)F)c1,RPFWACUPJFOORG-UHFFFAOYSA-N
-rxn:5:193337:226686:227119,Cc1cnn(C2CCCCO2)c1-c1ccc(-c2cc(C3CCCCC3)cs2)c(CN2CCOCC2)c1,MHDWSNOWDIKDCC-UHFFFAOYSA-N
-rxn:5:193382:222405:223001,O=C1NC(=O)C(c2cccc(-c3ccc(S(=O)(=O)N4CCOCC4)c(-c4cc(C5CCCNC5)ccc4F)c3)c2)N1,HWELYBGMRJWFQC-UHFFFAOYSA-N
-rxn:5:193382:222405:223004,O=C1NC(=O)C(c2cccc(-c3ccc(S(=O)(=O)N4CCOCC4)c(-c4ccc(C5CCNCC5)c(F)c4)c3)c2)N1,AXDHIOCNDZSVRK-UHFFFAOYSA-N
-rxn:5:193382:222405:223006,O=C1NC(=O)C(c2cccc(-c3ccc(S(=O)(=O)N4CCOCC4)c(-c4ccc(F)c(C5CCNCC5)c4)c3)c2)N1,YAADEGKBNXPZFZ-UHFFFAOYSA-N
-rxn:5:193382:222405:223007,O=C1NC(=O)C(c2cccc(-c3ccc(S(=O)(=O)N4CCOCC4)c(-c4cc(F)cc(C5CCNCC5)c4)c3)c2)N1,JYMLMONWJBHKMW-UHFFFAOYSA-N
-rxn:5:193382:222405:223061,O=C1NC(=O)C(c2cccc(-c3ccc(S(=O)(=O)N4CCOCC4)c(-c4cc(C5CCNCC5)ncc4F)c3)c2)N1,QQFPAVHQYRNOEY-UHFFFAOYSA-N
-rxn:5:193382:222956:226643,Cc1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3ccc(N4CCOCC4)nc3)c2)c(C2CCCNC2)c1,ILQCMBHKTGZVTB-UHFFFAOYSA-N
-rxn:5:193382:222960:225638,Cc1cc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3ccc(N4CCC(C)CC4)nc3)c2)cc(C2CCNCC2)c1,QXJWXIMPHGAFJR-UHFFFAOYSA-N
-rxn:5:193382:222986:227958,Cc1cc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3ccnc(C4CCC4)c3)c2)cc(C2CCCNC2)n1,FRVQQSDOLHBEND-UHFFFAOYSA-N
-rxn:5:193382:222987:226366,Cc1nc(C2CCNCC2)ccc1-c1ccc(S(=O)(=O)N2CCOCC2)c(-c2ccnc(N3CCCCC3)c2)c1,PNRKLMYPNBQEFN-UHFFFAOYSA-N
-rxn:5:193382:222988:223004,Cc1cc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3ccc(C4CCNCC4)c(F)c3)c2)cc(C2CCNCC2)n1,FBNAPUYHQDIJHI-UHFFFAOYSA-N
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-rxn:5:193756:226338:226746,CCc1cnc(C(F)(F)F)cc1-c1cc(-c2ccnc(OC3CCCC3)c2)ccc1C(=O)N1CCCCC1C,WLVHRIHELSXOHJ-UHFFFAOYSA-N
-rxn:5:193756:226366:226177,CC1CCCCN1C(=O)c1ccc(-c2ccnc(N3CCCCC3)c2)cc1-c1ccnc(C2CCCCC2)c1,DRMFEHDEFGBXGM-UHFFFAOYSA-N
-rxn:5:193756:226374:227413,CC1CCCCN1C(=O)c1ccc(-c2cncnc2C2CCCCC2)cc1-c1cnc(C2CCC2)cc1F,KSGYSQPIYFMKMF-UHFFFAOYSA-N
-rxn:5:193756:226437:226176,CC1CCCCN1C(=O)c1ccc(-c2cc(C3CCCC3)ncc2F)cc1-c1ccncc1C1CCCCC1,RXGIOBSISQEIGI-UHFFFAOYSA-N
-rxn:5:193756:226587:227086,CC1CCCCN1C(=O)c1ccc(-c2cnc(OC3CCC3)cc2F)cc1-c1ccnc(C2CCCC2)c1,WIYGEDVFQUYGGF-UHFFFAOYSA-N
-rxn:5:193756:226679:226176,CC1CCCCN1C(=O)c1ccc(-c2cnc(N3CCCC3)cc2F)cc1-c1ccncc1C1CCCCC1,AHNXGQKKXOGONN-UHFFFAOYSA-N
-rxn:5:193756:226744:226183,CCc1cc(-c2ccc(C(=O)N3CCCCC3C)c(-c3cnccc3C3CCCCC3)c2)cnc1C(F)(F)F,NEXCGJJMFALLFM-UHFFFAOYSA-N
-rxn:5:193756:226745:226746,CCc1cnc(C(F)(F)F)cc1-c1cc(-c2cc(C(F)(F)F)cnc2CC)ccc1C(=O)N1CCCCC1C,KVSHHHPKOLTPDF-UHFFFAOYSA-N
-rxn:5:193756:226746:225600,CCc1cnc(C(F)(F)F)cc1-c1ccc(C(=O)N2CCCCC2C)c(-c2cccnc2OC2CCCCC2)c1,IXOQWJPKXSWYTG-UHFFFAOYSA-N
-rxn:5:193756:226746:225671,CCc1cnc(C(F)(F)F)cc1-c1ccc(C(=O)N2CCCCC2C)c(-c2cc(C3CCCCC3)ncc2F)c1,BGWXYENKLCTPQR-UHFFFAOYSA-N
-rxn:5:193756:227089:226842,CC1CCCCN1C(=O)c1ccc(-c2ccncc2C2CCCC2)cc1-c1cncc(C(=O)C(F)(F)F)c1,VTMZTPSJUSUPNV-UHFFFAOYSA-N
-rxn:5:193756:227377:226374,CC1CCCCN1C(=O)c1ccc(-c2cncnc2C2CCCC2)cc1-c1cncnc1C1CCCCC1,XCAFUEUCJQWMMB-UHFFFAOYSA-N
-rxn:5:193756:227512:226182,COC(=O)c1cc(-c2ccc(C(=O)N3CCCCC3C)c(-c3cccnc3C3CCCCC3)c2)c(C)cn1,MKPVTKPPRWSVRI-UHFFFAOYSA-N
-rxn:5:193756:228323:225806,CCOc1nccc(-c2ccc(C(=O)N3CCCCC3C)c(-c3cnc(OC4CCCC4)cc3F)c2)c1F,VEEWHPNYEKGEQV-UHFFFAOYSA-N
-rxn:5:193868:225818:228102,CC(C)Cc1ncncc1-c1ccc(-c2ccc(C(F)(F)F)cc2C2CC2)cc1C(=O)N1CC(C)OC(C)C1,ZKLWQLMNVAUVPL-UHFFFAOYSA-N
-rxn:5:193869:223056:228868,COC(=O)c1ccc(-c2cc(S(=O)(=O)N3CCCCC3)c(-c3ccc(N4CCC(O)CC4)nc3)cc2C)s1,RRNXTJNPKZTWLQ-UHFFFAOYSA-N
-rxn:5:193869:225640:228868,COC(=O)c1ccc(-c2cc(S(=O)(=O)N3CCCCC3)c(-c3ccnc(N4CCCCC4C)c3)cc2C)s1,HVBSPGQKGSSOGU-UHFFFAOYSA-N
-rxn:5:193869:227379:223148,Cc1cc(-c2cccnc2N2CCCC2)c(S(=O)(=O)N2CCCCC2)cc1-c1ccccc1C1CNCCO1,NBYBDZZERWXVAY-UHFFFAOYSA-N
-rxn:5:193870:226322:226343,Cc1cc(C(=O)N(C)C)ccc1-c1cc(-c2ccc(OC3CCOC3)cc2)c(S(=O)(=O)N2CCCCC2)cc1C,WGNQKGWRCFUFBK-UHFFFAOYSA-N
-rxn:5:193870:228610:225607,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2ccc(C(C)N3CCCCC3)s2)cc1-c1ccc(C(C)(C)C)s1,ZGCYEEUENZHEMF-UHFFFAOYSA-N
-rxn:5:193872:223148:228137,CCOc1ncc(-c2cc(C(=O)N3CCC4(CC3)CC4)ccc2-c2ccccc2C2CNCCO2)cc1C,ZPXZKKYJLHKPAK-UHFFFAOYSA-N
-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:5:193912:227309:226586,CCC(C)c1cc(-c2ccc(N3C(=O)CS(=O)C(c4ccc(-c5ccnc(OC6CCOC6)c5)cc4)C3=O)cc2)cc(F)n1,DOLGZDSGWWOHJP-UHFFFAOYSA-N
-rxn:5:193912:227337:226146,CC(C)Oc1ccc(F)cc1-c1ccc(N2C(=O)CS(=O)C(c3ccc(-c4ccc(SC5CCCC5)cc4)cc3)C2=O)cc1,VERWRSNKEBIMEI-UHFFFAOYSA-N
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-rxn:5:193967:228684:226466,CCOc1ncccc1-c1ccc(CN2CCC3(CC2)OCCO3)c(-c2ccc3c(c2)OCC(=O)N3C)c1,QXWQTGDOXGVXAG-UHFFFAOYSA-N
-rxn:5:193968:223063:228247,CC(=O)c1ccc(F)c(-c2ccc(-c3cc(F)nc(C4CCNCC4)c3)cc2CN2CCC3(CC2)OCCO3)c1,JIAOHGLFZFOJCK-UHFFFAOYSA-N
-rxn:5:193968:223239:227830,CC1(c2ccc(-c3ccc(-c4cncc(C5CCCN5)c4)cc3CN3CCC4(CC3)OCCO4)cc2)CC1,XSLJWEAUUYJHAA-UHFFFAOYSA-N
-rxn:5:193972:223200:223435,COC(=O)c1ccc(-c2cc(S(=O)(=O)N3CCCCCC3)c(-c3ccc(C4CCNC4)cc3)cc2C)[nH]1,WUNHQKHQHYOUQR-UHFFFAOYSA-N
-rxn:5:193972:225440:228827,Cc1cc(F)c(F)cc1-c1cc(S(=O)(=O)N2CCCCCC2)c(-c2ccc(C3(C#N)CCCC3)cc2)cc1C,KULQGZOHPYRSJK-UHFFFAOYSA-N
-rxn:5:194058:222990:225943,O=C(c1ccc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2ccc(N3CCC(O)CC3)cc2)s1)N1CCOCC1,CSNXHFFDWVPUKH-UHFFFAOYSA-M
-rxn:5:194058:223000:225943,O=C(c1ccc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2ccc(C3CCCNC3)c(F)c2)s1)N1CCOCC1,OUOUAHQVURBDCA-UHFFFAOYSA-M
-rxn:5:194058:225805:225611,COc1cc(N2CCCC2)ccc1-c1cc2[nH]cc(OS(=O)(=O)[O-])c2cc1-c1ccc(C(C)N2CCOCC2)s1,RDZVWDAVZNLCNM-UHFFFAOYSA-M
-rxn:5:194399:227412:223010,CC(C)(C)c1cc(F)c(-c2ccc(C(=O)N3CC4CC4C3)cc2-c2ccc(C3(O)CCOCC3)cc2)cn1,ZGZCWYJHVNXJIE-UHFFFAOYSA-N
-rxn:5:194561:226580:228253,CN(C)C(=O)c1ccc(F)c(-c2ccc(-c3ccc(P(C)(C)=O)cc3)c(C(=O)N3C4CCC3COC4)c2)c1,CUXDDRWHDGGCDI-UHFFFAOYSA-N
-rxn:5:194688:223064:225849,COc1cc(-c2cnc(N3CCCCC3)cc2F)cc2c1OCC(=O)N(c1ccc(-c3ccc(C4CCNCC4)nc3F)cc1)C2,QHOBJOMWOSZDQN-UHFFFAOYSA-N
-rxn:5:194688:223065:227379,COc1cc(-c2cccnc2N2CCCC2)cc2c1OCC(=O)N(c1ccc(-c3ccc(N4CCNCC4)cc3F)cc1)C2,QABCRDAEWWEXHD-UHFFFAOYSA-N
-rxn:5:194733:225481:226745,CCc1ncc(C(F)(F)F)cc1-c1ccc(-c2cccc(-c3ccccc3)c2F)cc1C(=O)N1C2CCC1CC(=C1CC1)C2,MRLDRJDPPNUFBN-UHFFFAOYSA-N
-rxn:5:194767:223061:225976,O=C1OC2(CCCN(C(=O)c3cc(-c4cc(C5CCNCC5)ncc4F)ccc3-c3ccnc(N4CCOCC4)c3F)C2)c2ccccc21,YNOOLLMDIPYWHF-UHFFFAOYSA-N
-rxn:5:194767:225655:225976,CC1CCN(c2cncc(-c3ccc(-c4ccnc(N5CCOCC5)c4F)c(C(=O)N4CCCC5(C4)OC(=O)c4ccccc45)c3)c2)CC1,CRQBPMKVIYKYFS-UHFFFAOYSA-N
-rxn:5:194767:226679:226366,O=C1OC2(CCCN(C(=O)c3cc(-c4cnc(N5CCCC5)cc4F)ccc3-c3ccnc(N4CCCCC4)c3)C2)c2ccccc21,DBKWCSKOOIOOBK-UHFFFAOYSA-N
-rxn:5:194767:227126:223202,O=C1OC2(CCCN(C(=O)c3cc(-c4ccc(C5CCOC5)cc4)ccc3-c3ccc(C4(O)CCC4)cc3)C2)c2ccccc21,UKHVRJJVEBTTBO-UHFFFAOYSA-N
-rxn:5:194791:226030:229235,COc1ccsc1-c1ccc(C2OC3(C(=O)c4ccccc4C3=O)C3C(=O)N(c4ccccc4-c4cc(F)c(OC)c(C(F)(F)F)c4)C(=O)C23)cc1,FVXXLJMVDPEDGU-UHFFFAOYSA-N
-rxn:5:194791:226737:227877,Cc1cc2cc(-c3ccc(C4OC5(C(=O)c6ccccc6C5=O)C5C(=O)N(c6ccccc6-c6ccc(C(F)(F)F)c(C#N)c6)C(=O)C45)cc3)ccc2s1,BQHUNHDLPCFRMT-UHFFFAOYSA-N
-rxn:5:194791:228686:229049,CCOc1cc(-c2ccccc2N2C(=O)C3C(c4ccc(-c5cnc6n5CCC6)cc4)OC4(C(=O)c5ccccc5C4=O)C3C2=O)ccn1,ALBBQHJUKJSFDL-UHFFFAOYSA-N
-rxn:5:194792:223173:229000,CCc1ccncc1-c1ccc(N2C(=O)C3C(c4ccc(-c5ccc6c(c5)C(O)CS6(=O)=O)cc4)OC4(C(=O)c5ccccc5C4=O)C3C2=O)cc1,JXWJYBKPOWKWPK-UHFFFAOYSA-N
-rxn:5:194792:225887:228370,Cc1ccc(-c2ccc(N3C(=O)C4C(c5ccc(-c6cc7cccc(C(F)(F)F)c7s6)cc5)OC5(C(=O)c6ccccc6C5=O)C4C3=O)cc2)c([N+](=O)[O-])c1,JYTJVXKOKYITHP-UHFFFAOYSA-N
-rxn:5:194792:227677:227523,COC(=O)c1cnc(C)cc1-c1ccc(N2C(=O)C3C(c4ccc(-c5cc(C)ccc5C(F)(F)F)cc4)OC4(C(=O)c5ccccc5C4=O)C3C2=O)cc1,QWRSTIHDXIHIDT-UHFFFAOYSA-N
-rxn:5:194792:227920:226323,CCC(=O)c1ccc(-c2ccc(C3OC4(C(=O)c5ccccc5C4=O)C4C(=O)N(c5ccc(-c6ccc(OC7CCCC7)nc6)cc5)C(=O)C34)cc2)cc1,MUSMICGPIJYNEA-UHFFFAOYSA-N
-rxn:5:194792:228258:227978,COc1c(F)ccc(C)c1-c1ccc(C2OC3(C(=O)c4ccccc4C3=O)C3C(=O)N(c4ccc(-c5cc(C(C)C)ccc5F)cc4)C(=O)C23)cc1,ULAFIJGNKYBYGF-UHFFFAOYSA-N
-rxn:5:194792:228615:226320,CSc1ccc(C)cc1-c1ccc(C2OC3(C(=O)c4ccccc4C3=O)C3C(=O)N(c4ccc(-c5cc(C6(C#N)CC6)ccc5F)cc4)C(=O)C23)cc1,REBQFKVZIVQEAM-UHFFFAOYSA-N
-rxn:5:196408:225832:226183,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2cnccc2C2CCCCC2)ccc1C1=NOCCO1,VYBONUURXCYACV-UHFFFAOYSA-N
-rxn:5:196408:225985:226428,CC1CCCCN1c1csc(-c2ccc(C3=NOCCO3)c(-c3cccc(N4CCCS4(=O)=O)c3)c2)c1,QYWXXFLFUKXZLU-UHFFFAOYSA-N
-rxn:5:196789:226395:225976,O=C1COCCN1c1ccc(-c2cncc(N3CCCCC3)c2)cc1-c1ccnc(N2CCOCC2)c1F,FPIDWTPHEQGCJX-UHFFFAOYSA-N
-rxn:5:196790:223141:225655,CC1CCN(c2cncc(-c3ccc(N4CCOCC4=O)c(-c4cncc(C5CCNCC5)c4)c3)c2)CC1,MSRFIONOTCRDJB-UHFFFAOYSA-N
-rxn:5:196791:223065:226679,O=C1COCCN1c1cccc(-c2ccc(N3CCNCC3)cc2F)c1-c1cnc(N2CCCC2)cc1F,ZZDVULKBNCXPPI-UHFFFAOYSA-N
-rxn:5:196791:225590:225655,CC1CCN(c2cncc(-c3c(-c4ccc(CN5CCCC5)c(F)c4)cccc3N3CCOCC3=O)c2)CC1,KWDYCAIAHXFWDS-UHFFFAOYSA-N
-rxn:5:196794:225834:226644,O=C1COCCN1c1cc(-c2cc(N3CCCCC3)ncc2F)ccc1-c1cncc(N2CCOCC2)c1,IVVIBCFSVDJITA-UHFFFAOYSA-N
-rxn:5:196873:225982:223064,Fc1cc(N2CCOCC2)ncc1-c1ccc(N2CCOCC2)cc1-c1ccc(C2CCNCC2)nc1F,ULRNQKNGQTVXBF-UHFFFAOYSA-N
-rxn:5:196919:225822:222404,CC1(C)COC(c2ccc(-c3cccc(C(F)(F)F)c3C3CC3)cc2-c2ccc(C3NC(=O)NC3=O)cc2)=N1,LKILGKDUEINJAM-UHFFFAOYSA-N
-rxn:5:196970:225832:227103,Cc1nn(C2CCCCO2)c(C)c1-c1c(C2CCCCC2)ccnc1-c1sccc1C1CCCCC1,TUDJQJDDKLXNSE-UHFFFAOYSA-N
-rxn:5:196971:223146:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2cccc(C3CNCCO3)c2)ncc1C1CCCCC1,QRCHWKBDSNDJQU-UHFFFAOYSA-N
-rxn:5:196971:226174:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2ccc(C3CCCCC3)nc2)ncc1C1CCCCC1,GHEJJQFTSSTAIM-UHFFFAOYSA-N
-rxn:5:197876:223086:226068,Cc1cc(C(C)(C)C)cc(C)c1-c1cc2c(cc1-c1cc3[nH]ncc3cc1C(F)(F)F)S(=O)(=O)N(C(C)(C)C)C2=O,WDAVYMIBMUUSKG-UHFFFAOYSA-N
-rxn:5:197876:225395:228429,CSc1ccc(F)c(-c2cc3c(cc2-c2cc(C4CC4)cc(C(C)(C)C)c2)S(=O)(=O)N(C(C)(C)C)C3=O)c1F,IEXCZVWMTCARNY-UHFFFAOYSA-N
-rxn:5:197876:225439:228790,CC(c1cccc(-c2cc3c(cc2-c2cccc(C(F)F)c2)C(=O)N(C(C)(C)C)S3(=O)=O)c1)N1CCCC1,RYQZHOCRIDNYLX-UHFFFAOYSA-N
-rxn:5:197876:225440:228003,CSc1cc(C)c(-c2cc3c(cc2-c2ccc(C4(C#N)CCCC4)cc2)S(=O)(=O)N(C(C)(C)C)C3=O)c(C)c1,PUWODGNAFFPELP-UHFFFAOYSA-N
-rxn:5:197876:225462:228918,CC1CCN(c2cccc(-c3cc4c(cc3-c3cnccc3C(F)F)C(=O)N(C(C)(C)C)S4(=O)=O)c2)CC1,HXYKAMOJOXLSDW-UHFFFAOYSA-N
-rxn:5:197876:225512:226891,CC(C)(C)N1C(=O)c2cc(-c3cc(C(F)(F)F)cc(F)c3F)c(-c3cccc4cc([Si](C)(C)C)sc34)cc2S1(=O)=O,ZXNCMTKYOKQROJ-UHFFFAOYSA-N
-rxn:5:197876:225601:227826,CC(C)(C)c1cccc(-c2cc3c(cc2-c2ccc(C4(C#N)CCC4)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,RSPPAYYNXYFTHR-UHFFFAOYSA-N
-rxn:5:197876:225601:228420,CSc1c(F)cc(-c2cc3c(cc2-c2ccc(C4(C#N)CCC4)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1F,CUNYZKQQGQBPPU-UHFFFAOYSA-N
-rxn:5:197876:225602:227276,CCc1cc(N(C)C)ncc1-c1cc2c(cc1-c1cc(C3(C#N)CCC3)ccc1F)S(=O)(=O)N(C(C)(C)C)C2=O,SCSRSRVGZYPPOK-UHFFFAOYSA-N
-rxn:5:197876:225603:227024,CC(c1cccc(-c2cc3c(cc2-c2cccc(C4(C#N)CCC4)c2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1)N(C)C,ISQHHJYBPUDQBQ-UHFFFAOYSA-N
-rxn:5:197876:225603:228592,CC(C)c1cncc(-c2cc3c(cc2-c2cccc(C4(C#N)CCC4)c2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,HXQTYPINADUQIW-UHFFFAOYSA-N
-rxn:5:197876:225816:227907,CCC(C)c1cncc(-c2cc3c(cc2-c2cc(C4CC4)ccc2C(F)(F)F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,NGOVIQSBEXDCMQ-UHFFFAOYSA-N
-rxn:5:197876:225816:228754,CSc1ncc(-c2cc3c(cc2-c2cc(C4CC4)ccc2C(F)(F)F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1C,LWCWXDJKAFXWRK-UHFFFAOYSA-N
-rxn:5:197876:225936:226914,Cc1cc(CC(C)C)ccc1-c1cc2c(cc1-c1cc(C(F)(F)F)cnc1C(C)C)S(=O)(=O)N(C(C)(C)C)C2=O,IBMSQCRGWNYUKT-UHFFFAOYSA-N
-rxn:5:197876:225936:227048,CC(C)C(=O)c1ccc(-c2cc3c(cc2-c2cc(C(F)(F)F)cnc2C(C)C)S(=O)(=O)N(C(C)(C)C)C3=O)cc1,MAUBWOMGQDZIHC-UHFFFAOYSA-N
-rxn:5:197876:226031:227025,CCc1ncc(C2CC2)cc1-c1cc2c(cc1-c1ccc(C(F)(F)F)cc1C(F)F)S(=O)(=O)N(C(C)(C)C)C2=O,VANJWNZVJJMIRD-UHFFFAOYSA-N
-rxn:5:197876:226032:228506,CCCc1ccccc1-c1cc2c(cc1-c1cc(OC)cc(C(F)(F)F)c1F)S(=O)(=O)N(C(C)(C)C)C2=O,RHFUWXNCJAMCDM-UHFFFAOYSA-N
-rxn:5:197876:226059:227837,Cc1cc(-c2cc3c(cc2-c2ccc(C(C)C)cc2C(C)C)S(=O)(=O)N(C(C)(C)C)C3=O)cc(C2CC2)c1,ZBXZVOJZLUOISM-UHFFFAOYSA-N
-rxn:5:197876:226059:228182,CC(C)c1ccc(-c2cc3c(cc2-c2cccc(CC(F)F)c2)C(=O)N(C(C)(C)C)S3(=O)=O)c(C(C)C)c1,FHBJRHYYPZWUFT-UHFFFAOYSA-N
-rxn:5:197876:226061:228391,CC(C)c1cc(-c2cc3c(cc2-c2cccc(C(F)(F)F)c2)C(=O)N(C(C)(C)C)S3(=O)=O)cc(C2CC2)c1,ZBKJPRRMZDHTHP-UHFFFAOYSA-N
-rxn:5:197876:226061:228430,CSc1cc(F)c(-c2cc3c(cc2-c2cc(C(C)C)cc(C4CC4)c2)S(=O)(=O)N(C(C)(C)C)C3=O)c(F)c1,WXIWNLFSZMHJQN-UHFFFAOYSA-N
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-rxn:4:176614:223529,COC(=O)Cc1cc(F)c(F)cc1-c1ccc(CN2CCN(C(=O)OC(C)(C)C)CC2)c(F)c1,RTWLYIVMZRYFCM-UHFFFAOYSA-N
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-rxn:4:183934:225738,CCCCOc1cc(F)c(-c2ccccc2CCCN2CCC(C(=O)OC)CC2)cc1F,PMANKWFDYVALSN-UHFFFAOYSA-N
-rxn:4:183962:223499,Cc1cc(OCC2CN(C(=O)OC(C)(C)C)C2)cc(-c2ccc(Cl)c(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)c1,OLZMCGIRZWJJCT-UHFFFAOYSA-N
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-rxn:4:184001:224279,COC(=O)C1(c2ccc(-c3ccc4c(c3)ncn4C(=O)OC(C)(C)C)cc2Cl)CCN(C(=O)OC(C)(C)C)C1,JRLIINSIDLQEMH-UHFFFAOYSA-N
-rxn:4:184027:225061,CC1CCN(c2ccc(-c3ccc(OCC4CCN(C(=O)OC(C)(C)C)CC4)c(F)c3)c(F)c2)CC1,SRJIRKAKLQEGBE-UHFFFAOYSA-N
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-rxn:4:184267:223902,CC1CCN(CCOc2ccc(-c3ccc(OCCC(F)(F)F)cc3C#N)cc2F)CC1,MJGJQKBMNPHXHN-UHFFFAOYSA-N
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-rxn:4:184606:223754,CCOc1cc(C(=O)OC)c([N+](=O)[O-])cc1-c1ccc(OCCCN2CCC(C)CC2)c(Cl)c1,NILTUXOQLYJOHO-UHFFFAOYSA-N
-rxn:4:184617:223648,CCOC(OCC)c1ccc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2)cn1,CAYYVOYEHOLAIL-UHFFFAOYSA-N
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-rxn:4:184739:224715,CCCCOc1cc(C(F)(F)F)ccc1-c1cc(C(F)(F)F)ccc1OCC(=O)N1CCC1,VPQGUYYJDDNIIN-UHFFFAOYSA-N
-rxn:4:184763:222635,COC(=O)c1ccc(-c2cccc([C@H](C)NC(=O)OC(C)(C)C)c2)n1C(=O)OC(C)(C)C,REKJSYLOARYFQU-HNNXBMFYSA-N
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-rxn:4:184805:224290,COC(=O)c1cc(Oc2ccc(F)cc2F)c(-c2ccc(Cl)cc2OCCN2CCOCC2)cc1[N+](=O)[O-],RWGRBJVYNINPEO-UHFFFAOYSA-N
-rxn:4:184817:223559,CCN(CC)CCc1cc(F)ccc1-c1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)OC(C)(C)C,WMADMJOGOODDDY-UHFFFAOYSA-N
-rxn:4:184890:222612,COC(=O)C1CN(Cc2cc(-c3cc(S(=O)(=O)N4CCC(O)CC4)ccc3F)ccc2C(F)(F)F)C1,SKUXIOBXQRUAPO-UHFFFAOYSA-N
-rxn:4:184890:225640,COC(=O)C1CN(Cc2cc(-c3ccnc(N4CCCCC4C)c3)ccc2C(F)(F)F)C1,XHWUDVJQBMSPGN-UHFFFAOYSA-N
-rxn:4:184908:224101,COc1ccc(OCC(=O)N2CCCC2)c(-c2cccc(OCCN3CCC(C)CC3)c2)c1,WTMYLSKVRBGJAB-UHFFFAOYSA-N
-rxn:4:184955:223810,Cc1cc(-c2ccc(OCCCN3CCOCC3)c(Cl)c2)cc(C)c1S(=O)(=O)N1CCC(C)CC1,BNPGIRQVWULWMK-UHFFFAOYSA-N
-rxn:4:184956:224285,Fc1cc(-c2ccc(OCCN3CCOCC3)cc2F)ccc1OCCCN1CCOCC1,CXSMSVZEOCGLSX-UHFFFAOYSA-N
-rxn:4:185024:222546,COc1ccc(OCC(=O)N2CCCCC2)c(-c2ccc(OCCNC3CCCCC3)c(F)c2)c1,AZPCMIDGKWEMQE-UHFFFAOYSA-N
-rxn:4:185024:225128,COC(=O)C1(c2ccc(F)c(-c3cc(OC)ccc3OCC(=O)N3CCCCC3)c2)CC1,DSHPYBFQRCDWDF-UHFFFAOYSA-N
-rxn:4:185062:227546,COC(=O)c1cccc(-c2cc(Cl)cc(F)c2OCCN2CCC(C(F)(F)F)CC2)c1F,BMSAVBAEYHVDIG-UHFFFAOYSA-N
-rxn:4:185082:223899,CCN(C(=O)OC(C)(C)C)c1cc(C)cc(-c2ccc(C(=O)N(C(C)C)C(C)C)cc2OC)c1,KIYLINXVUSSDTB-UHFFFAOYSA-N
-rxn:4:185089:222815,COc1cc(C(=O)N(C(C)C)C(C)C)ccc1-c1ccc(S(=O)(=O)NC(=O)C(C)C)cc1,YTMMOFWNXMCRIY-UHFFFAOYSA-N
-rxn:4:185089:223898,COc1cc(C(=O)N(C(C)C)C(C)C)ccc1-c1ccc(N(C(=O)OC(C)(C)C)C(C)C)cc1,RDMFSPGVMNKGPL-UHFFFAOYSA-N
-rxn:4:185107:225283,CCC(C)c1cc(-c2cnc(S(=O)(=O)C(C)C)c(C(=O)OC(C)(C)C)c2)cnc1C(F)(F)F,PVCSGFHYLZBKKV-UHFFFAOYSA-N
-rxn:4:185107:225386,CC(C)S(=O)(=O)c1ncc(-c2cc(F)c(C(F)(F)F)cc2[N+](=O)[O-])cc1C(=O)OC(C)(C)C,SBZUGEHTDMYZSB-UHFFFAOYSA-N
-rxn:4:185107:226559,CC(C)S(=O)(=O)c1ncc(-c2cc(C(=O)OC(C)(C)C)cs2)cc1C(=O)OC(C)(C)C,MDZFBIXQEOVSOP-UHFFFAOYSA-N
-rxn:4:185111:223104,COC(=O)C1CCN(C(=O)Cc2ccc(F)cc2-c2ccc(NC(=O)C(F)(F)F)cc2)CC1,XLLDXYJGCJFQCO-UHFFFAOYSA-N
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-rxn:4:185134:224588,COC(=O)C1CCN(CCc2ccc(-c3cc(F)cc(CN4CCC(C)CC4)c3)cc2)CC1,AEOHXGCHXMPWBS-UHFFFAOYSA-N
-rxn:4:185139:225450,COC(=O)C1CCN(CCc2ccc(F)c(-c3ccc(C(=O)C4CCCC4)cc3)c2)CC1,WAIMSTFCSPGPOD-UHFFFAOYSA-N
-rxn:4:185145:226437,CCOC(=O)C1CCCN(S(=O)(=O)c2ccc(-c3cc(C4CCCC4)ncc3F)cc2)C1,WQWZHFOEBXZNKU-UHFFFAOYSA-N
-rxn:4:185155:224490,COC(=O)c1ccc(-c2ccccc2OCCN2CCCCC2)cc1CN1CCC(C(F)(F)F)CC1,SCRSSPFBXYZTQZ-UHFFFAOYSA-N
-rxn:4:185161:226715,CC(C)(C)OC(=O)N1CC(c2ccc(C(F)(F)F)cc2-c2cnn(C(=O)OC(C)(C)C)c2)C1,WAZHFANLJWIKKK-UHFFFAOYSA-N
-rxn:4:185162:224962,CC(C)(C)OC(=O)N1CC(c2cc(C(F)(F)F)ccc2-c2ccccc2COC2CCOCC2)C1,DVTXKZDONYISOM-UHFFFAOYSA-N
-rxn:4:185165:227033,CC(C)(C)OC(=O)N1CC(c2cc(-c3ccc(C4CC4)c(C#N)c3)ccc2C(F)(F)F)C1,MNHVCYPKTDBCJK-UHFFFAOYSA-N
-rxn:4:185172:224249,CC1CCCN(C(=O)c2ccc(F)c(-c3ccc(C(=O)N4CCCC4CS(=O)(=O)c4ccccc4)o3)c2)C1,UZVHLCKDXHMCIX-UHFFFAOYSA-N
-rxn:4:185199:225936,COC(=O)c1cc(CN2CCC(OC)CC2)cc(-c2cc(C(F)(F)F)cnc2C(C)C)c1,ZLZOXDBHISITSQ-UHFFFAOYSA-N
-rxn:4:185201:223941,COc1cc(C2CN(C(=O)OC(C)(C)C)C2)ccc1-c1ccc2c(c1)CC(=O)N2C(=O)OC(C)(C)C,VVVVAVMUYOCMMA-UHFFFAOYSA-N
-rxn:4:185244:226068,Cc1cc(C(C)(C)C)cc(C)c1-c1cccc(C(=O)N(CC(C)C)C2CCS(=O)(=O)C2)c1,QOZXQELDLQONQD-UHFFFAOYSA-N
-rxn:4:185270:226538,CCOC(=O)c1cc(Cl)ccc1-c1ccc(C2CCN(C(=O)OC(C)(C)C)C2)c(C(F)(F)F)c1,OTNHKLZRXBWZSL-UHFFFAOYSA-N
-rxn:4:185289:222722,O=C(c1ccccc1F)N(Cc1cccc(-c2cccc(S(=O)(=O)N3CCC(O)CC3)c2)c1)C1CCS(=O)(=O)C1,XXRJPCJZLWPBHE-UHFFFAOYSA-N
-rxn:4:185289:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3cccc(CN(C(=O)c4ccccc4F)C4CCS(=O)(=O)C4)c3)c2)CC1,VSRIBVVVIHNHGV-UHFFFAOYSA-N
-rxn:4:185307:223001,CCCOc1cc(S(=O)(=O)N2CCCC(C)C2)ccc1-c1cc(C2CCCNC2)ccc1F,SANCITKNPFHVFD-UHFFFAOYSA-N
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-rxn:4:187685:222833,CC(C)CCC(=O)Nc1cccc(-c2ccc(C(=O)c3cccc(CN4CCC5(CC4)OCCO5)c3)cc2)c1,CRADBYKHUBTMGG-UHFFFAOYSA-N
-rxn:4:187847:223078,CCNS(=O)(=O)c1ccc(-c2cc3c(cc2C(F)F)N(C(=O)OC(C)(C)C)CC3)c(C)c1,HDVDQAHANWJUNS-UHFFFAOYSA-N
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-rxn:4:188404:222426,CCOC(=O)c1ccnc(-c2ccc3c(c2)C2(CCN(C(=O)OC(C)(C)C)CC2)C(=O)N3)c1F,HETFRHXDRAHIDL-UHFFFAOYSA-N
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-rxn:4:188832:223559,CCc1ccnc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)c1C(=O)OC,CGKSKSAOLAWIBW-UHFFFAOYSA-N
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-rxn:4:190173:226068,Cc1cc(C(C)(C)C)cc(C)c1-c1cc(S(=O)(=O)N2CCC(C(F)(F)F)CC2)c(F)cc1F,UUDCXVNHTSNQOL-UHFFFAOYSA-N
-rxn:4:190213:222826,COc1ccc(S(=O)(=O)N2CCCCC2)cc1-c1cccc(S(=O)(=O)N2CCNCC2)c1,RBIGWRIRLCIKKC-UHFFFAOYSA-N
-rxn:4:190214:222719,COc1cc(S(=O)(=O)N2CCCCC2)ccc1-c1cc(C2CCCNC2)nc(C(F)(F)F)c1,SZZDZBOFEGJORV-UHFFFAOYSA-N
-rxn:4:190260:224485,CC(C)C(=O)N1CCCC1c1ccc(-c2ccn([Si](C(C)C)(C(C)C)C(C)C)c2)cc1,NRHIPVLRMYEIRX-UHFFFAOYSA-N
-rxn:4:190270:224715,CCCCOc1cc(C(F)(F)F)ccc1-c1cc(F)ccc1CC(=O)N1CCCCC1C,LGMIRKJPYBGSTR-UHFFFAOYSA-N
-rxn:4:190274:223658,COc1cc(S(=O)(=O)N2CCOCC2)c(C)cc1-c1ccc(S(=O)(=O)N2CCOCC2)c2ccccc12,VNZQIBBUCZZZJU-UHFFFAOYSA-N
-rxn:4:190331:223534,COc1ccc(C(=O)N2CCCCC2C)c(-c2cc(OC3CCN(C(=O)OC(C)(C)C)CC3)ncc2F)c1,WJBFZQHQTSNJAL-UHFFFAOYSA-N
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-rxn:4:190379:223844,COc1cc(S(=O)(=O)N2CCCC(C)C2)ccc1-c1ccc(S(=O)(=O)N2CCCC2)cc1C(F)(F)F,BTCULEOAZLFBFR-UHFFFAOYSA-N
-rxn:4:190379:224818,COc1cc(S(=O)(=O)N2CCCC(C)C2)ccc1-c1ccc(S(=O)(=O)N2CCSCC2)cc1,FFZHIEGOIUZMBO-UHFFFAOYSA-N
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-rxn:4:190481:223902,CC1CCN(CCOc2ccc(-c3ccccc3-c3cccc(C(=O)N4CCC(C)CC4)c3)cc2F)CC1,XDQQLHPDWLUQGH-UHFFFAOYSA-N
-rxn:4:190823:223506,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cccc(-c3ccc4c(c3)CN(C(=O)OC(C)(C)C)C4=O)c2)CC1,IKYPSJRLNBLQTF-UHFFFAOYSA-N
-rxn:4:190828:222523,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)C(=O)C3)c(C(F)(F)F)c1,HQGTUXXAXBFAGS-UHFFFAOYSA-N
-rxn:4:190833:224552,CC(C)(C)OC(=O)N1Cc2c(Cl)ccc(-c3cc(F)cc(COC4CCCCC4)c3)c2C1=O,NJZFWKIOPWZCLH-UHFFFAOYSA-N
-rxn:4:190847:222637,CC(NC(=O)OC(C)(C)C)c1ccc(-c2csc3c2CN(C(=O)OC(C)(C)C)CC3)cc1,XQFSKWSEFARTDN-UHFFFAOYSA-N
-rxn:4:190848:222628,C[Si](C)(C)OC1(C#N)CCc2cc(-c3cc(C4CCC4)nc(C4CCCNC4)c3)ccc21,YDHQZWLBGDZBME-UHFFFAOYSA-N
-rxn:4:190851:222639,C[C@H](NC(=O)OC(C)(C)C)c1ccc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CC3)cc1,RBUYLUHZJJTVLC-KRWDZBQOSA-N
-rxn:4:190865:222639,C[C@H](NC(=O)OC(C)(C)C)c1ccc(-c2ccc3c(c2)C(=O)C(=O)N3CC(=O)C(C)(C)C)cc1,GFTUNAWRHDXRKL-INIZCTEOSA-N
-rxn:4:190869:224485,CC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)C(=O)CO3)c1,WSYYIKZSTDGYDI-UHFFFAOYSA-N
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-rxn:4:190927:224716,CN(C(=O)OC(C)(C)C)c1ccc(-c2ccc3c(c2)CCN(C(=O)OC(C)(C)C)C3=O)cn1,WRHHGEUFXYEPRH-UHFFFAOYSA-N
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-rxn:4:190961:222837,CC(C)(C)NC(=O)Cc1cccc(-c2cc3c(cc2F)N(C(=O)OC(C)(C)C)CCC3)c1,MECCGPNWBOOSAU-UHFFFAOYSA-N
-rxn:4:190975:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2ccc3c(c2)C(F)(F)CCN3C(=O)OC(C)(C)C)cc1,RYMKKAJOKYVVRP-UHFFFAOYSA-N
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-rxn:4:191030:225330,COC(=O)c1cc(-c2ccc3c(c2)C(C)(C)N(C(=O)OC(C)(C)C)C3)cc(C(=O)OC)n1,OEGSOZMNBJIMCW-UHFFFAOYSA-N
-rxn:4:191032:225744,CC(C)(C)OC(=O)c1cncc(-c2cc3c(s2)C(C)(C)N(C(=O)OC(C)(C)C)CC3)c1,VPRDPSZETWSCKG-UHFFFAOYSA-N
-rxn:4:191056:223098,CC(=O)NS(=O)(=O)c1ccc(-c2ccc3c(c2)C(C)N(C(=O)OC(C)(C)C)CCO3)cc1,HSGNEMRJPPCQBS-UHFFFAOYSA-N
-rxn:4:191057:224486,CC(C)N(C(=O)c1cccc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC32CC2)c1)C(C)C,PYOOELJHYNGZKQ-UHFFFAOYSA-N
-rxn:4:191089:223079,CC(C)NS(=O)(=O)c1cccc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3(C)C)c1,ZUSAEBXMMNXOGX-UHFFFAOYSA-N
-rxn:4:191099:224624,CC(C)(C)COC(=O)c1ccc(Cl)cc1-c1ccc2c(c1)C(=O)C1(CCN(C(=O)OC(C)(C)C)CC1)O2,KJNGBWORTUQFSB-UHFFFAOYSA-N
-rxn:4:191103:222812,CC(C)(C)OC(=O)Nc1cc(-c2ccc3c(c2)C2(C=C3)CCN(C(=O)OC(C)(C)C)CC2)cnc1Cl,KTBRCMYZAXAJHT-UHFFFAOYSA-N
-rxn:4:191118:222790,CC(C)(C)OC(=O)Nc1cc(Cl)cc(-c2ccc3c(c2)C2(CCN(C(=O)OC(C)(C)C)CC2)CC3=O)c1,WBDZRVUMTILMSK-UHFFFAOYSA-N
-rxn:4:191118:228218,CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)c1ccc(-c3cc(C4CC4)ncc3F)cc12,VYBCXPLIZMXNHB-UHFFFAOYSA-N
-rxn:4:191122:225353,COC(=O)c1ccc(-c2ccc3c(c2)C(C)=CC(C)(C)N3S(=O)(=O)c2ccc(OC)cc2)cc1C(F)(F)F,JOUJITNUJNFVCL-UHFFFAOYSA-N
-rxn:4:191124:227740,Cc1cc(-c2ccc3c(c2)C2(CC3)CCN(C(=O)OC(C)(C)C)CC2)cc(C(F)(F)F)n1,QLZCFWMRAKPPJW-UHFFFAOYSA-N
-rxn:4:191126:222787,CC(C)(C)OC(=O)Nc1ccc(-c2ccc3c(c2)C(=O)CC2(CCN(C(=O)OC(C)(C)C)CC2)O3)c(Cl)c1,XOYVOSXELLZPAF-UHFFFAOYSA-N
-rxn:4:191126:223253,CCCCNc1ncc(-c2ccc3c(c2)C(=O)CC2(CCN(C(=O)OC(C)(C)C)CC2)O3)cn1,RJDVYJGUZODGFI-UHFFFAOYSA-N
-rxn:4:191126:226502,CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)c1cc(-c3ccn(C(=O)OC(C)(C)C)c3)ccc1O2,NBWZOGGODMEWHG-UHFFFAOYSA-N
-rxn:4:191129:222813,CC(C)(C)OC(=O)Nc1ncc(-c2ccc3c(c2)CCC2(CCN(C(=O)OC(C)(C)C)CC2)O3)cc1Cl,LDPJAAFEZKJURU-UHFFFAOYSA-N
-rxn:4:191129:223527,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)ccc2-c2ccc3c(c2)CCC2(CCN(C(=O)OC(C)(C)C)CC2)O3)CC1,ACESGFWKEKCSHF-UHFFFAOYSA-N
-rxn:4:191130:224670,CN1CCN(Cc2ccc(F)c(-c3ccc4c(c3)OC3(CC4)CCN(C(=O)OC(C)(C)C)CC3)c2)CC1,ZMYSUNLUBAXYEO-UHFFFAOYSA-N
-rxn:4:191195:224549,CC1C(=O)C(C)(C)N(C(=O)OC(C)(C)C)c2c1cc(-c1ccccc1OCc1ccccc1Cl)c1c2CCC1,PNIQYYDULJFUNP-UHFFFAOYSA-N
-rxn:4:191195:229007,CSc1cccc(-c2cc3c(c4c2CCC4)N(C(=O)OC(C)(C)C)C(C)(C)C(=O)C3C)c1,XQVYZWSAFLSRPJ-UHFFFAOYSA-N
-rxn:4:191416:223529,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cc(C(=O)C(F)(F)F)c(F)cn3)cc2F)CC1,WLTNIRBOVNSEMP-UHFFFAOYSA-N
-rxn:4:191628:222523,CC(C)(C)NS(=O)(=O)c1ccc(-c2c(Cl)cc([N+](=O)[O-])cc2C(F)(F)F)c(C(F)(F)F)c1,NFKVQSSDFGPSGP-UHFFFAOYSA-N
-rxn:4:192023:223536,CC(C)(C)OC(=O)N1CCN(c2cc(-c3ncccc3OC3COC3)cc(F)c2F)CC1,DWICEVPTYODZNL-UHFFFAOYSA-N
-rxn:4:192074:223541,CCS(=O)(=O)c1cnc(Cl)c(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC3(CC2)OCCO3)c1,QIBSVTSXHAQVBA-UHFFFAOYSA-N
-rxn:4:192519:223490,COc1cc(-c2ccc(C)c(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)cc(C2COC2)n1,OYJDKMPOFGKLET-UHFFFAOYSA-N
-rxn:4:193273:223480,Cc1ccc(S(=O)(=O)c2ccnc(-c3cc(C)c(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c(C)c3)c2)cc1,PGNPIXKEDBLHNI-UHFFFAOYSA-N
-rxn:4:193385:222702,O=S(=O)(c1ccc(-c2cc(C3CCCNC3)ccc2C(F)(F)F)cc1F)N1CCOCC1,CHSRWZOXRKDDLP-UHFFFAOYSA-N
-rxn:4:193557:223839,COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1ccc(S(=O)(=O)N2CCCCC2)cc1,WCZPOXJKZKBZQU-UHFFFAOYSA-N
-rxn:4:193777:223958,CCN1CCN(C(=O)c2ccc(-c3cc(F)c(C(=O)N4CCCC(C)C4)c(F)c3)cc2F)CC1,YZWNNWCAOVZILX-UHFFFAOYSA-N
-rxn:4:193778:224807,Cc1cc(C(=O)N2CCS(=O)(=O)CC2)cc(-c2cc(C(F)(F)F)cc(OC(C)C)c2F)c1,PGGRAJMDLDDILO-UHFFFAOYSA-N
-rxn:4:193816:223840,COc1ccc(-c2cc(F)ccc2CN2CCC(C)CC2)cc1S(=O)(=O)N1CCN(C)CC1,ALDCIDYOCHNTNQ-UHFFFAOYSA-N
-rxn:4:193816:223845,CC1CCN(Cc2ccc(F)cc2-c2cc(F)c(F)cc2S(=O)(=O)N2CCN(C)CC2)CC1,BNPLERGKTWPWMX-UHFFFAOYSA-N
-rxn:4:193874:223834,Cc1cc(-c2ccc(S(=O)(=O)N3CCC(C)CC3)c(F)c2)cc(C)c1S(=O)(=O)N1CCN(C)CC1,XMKUMRYFRJHVIM-UHFFFAOYSA-N
-rxn:4:193883:222522,COc1ccc(-c2cc(S(=O)(=O)N3CCCC(C)C3)c(F)cc2F)cc1S(=O)(=O)N1CCC(O)CC1,MKCMEZHVLOLVGU-UHFFFAOYSA-N
-rxn:4:193891:223504,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc(N4C(=O)CSC(c5ccccc5)C4=O)cc3)cc2[N+](=O)[O-])CC1,TWTPSERZCGCPMB-UHFFFAOYSA-N
-rxn:4:193915:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3ccc(C4CCN(C5COC5)CC4)cc3)cc2)CC1,DABBFJOMVYBITN-UHFFFAOYSA-N
-rxn:4:193925:224250,Cc1ccc(C(=O)N2CCCCC2C)c(-c2cc(C(=O)N3CCCCC3C)ccc2F)c1,HTSROYWLBYEIKL-UHFFFAOYSA-N
-rxn:4:193964:223832,COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1-c1cc(C)cc(S(=O)(=O)N2CCC(C)CC2)c1,YWZPMDYHVYAQDE-UHFFFAOYSA-N
-rxn:4:193994:223697,Cc1cc(C)c(S(=O)(=O)N2CCCC(C)C2)cc1-c1ccc(S(=O)(=O)N2CCCCC2)cc1C(F)(F)F,GARCPRNJGBDFEV-UHFFFAOYSA-N
-rxn:4:193994:223992,Cc1cc(C)c(S(=O)(=O)N2CCCC(C)C2)cc1-c1ccc(C)c(S(=O)(=O)N2CCN(C)CC2)c1,PKDZQTRZOOACQY-UHFFFAOYSA-N
-rxn:4:194001:222612,Cc1cc(C)c(S(=O)(=O)N2CCCCC2)c(C)c1-c1cc(S(=O)(=O)N2CCC(O)CC2)ccc1F,HHSYZAQZWIBODL-UHFFFAOYSA-N
-rxn:4:194539:224408,CC(C)S(=O)(=O)N1Cc2ccc(-c3cc(C(F)(F)F)nn3C(=O)OC(C)(C)C)cc2C1,DIHWRMBVIQMOQD-UHFFFAOYSA-N
-rxn:4:194572:225171,O=S1(=O)CC2CC1CN2S(=O)(=O)c1ccccc1-c1cc(F)cc(CN2CCOCC2)c1,XJRNSIPTAQMQDA-UHFFFAOYSA-N
-rxn:4:194572:225186,O=S1(=O)CC2CC1CN2S(=O)(=O)c1ccccc1-c1ccc(F)c(CN2CCSCC2)c1,AZXNRTXTOXTXPQ-UHFFFAOYSA-N
-rxn:4:194684:223743,CSc1ccc(N2Cc3cc(-c4ccc(C)c(OCCCN5CCC(C)CC5)c4)ccc3OCC2=O)cc1,UFFRFOKGLRDRKV-UHFFFAOYSA-N
-rxn:4:194697:222637,CC(NC(=O)OC(C)(C)C)c1ccc(-c2ccc3c(c2)C(=NS(=O)C(C)(C)C)CCC3)cc1,JRYUZSUGPDMPJU-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:4:194728:224656,COc1ccc(-c2ccc3c(c2)CCN(CC2CCOCC2)C3)c(F)c1OC1CCCC1,OXEISUXWINYVRF-UHFFFAOYSA-N
-rxn:4:194770:223569,CC1=CC(C)(C)N(S(=O)(=O)c2ccc(-c3cnc4c(ccn4[Si](C(C)C)(C(C)C)C(C)C)c3F)cc2)c2ccccc21,UTWZTMACRIFCAG-UHFFFAOYSA-N
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-rxn:4:202310:222622,CCC(C)c1cc(-c2ccc(S(=O)(=O)N3CCCSCC3CN3CCOCC3)cc2)cc(C2CCCNC2)n1,VESRAULTZLKELL-UHFFFAOYSA-N
-rxn:4:202310:226339,N#Cc1cc(Cl)c(C2CC2)c(-c2ccc(S(=O)(=O)N3CCCSCC3CN3CCOCC3)cc2)c1,KTIRJJIDBZSNAD-UHFFFAOYSA-N
-rxn:4:202328:227095,COC1CCN(C2CCN(S(=O)(=O)c3ccccc3-c3ccc(C4CC(=O)C4)cc3)CC2)CC1,HQFCGLKKJVYJRU-UHFFFAOYSA-N
-rxn:4:202328:227187,COC1CCN(C2CCN(S(=O)(=O)c3ccccc3-c3cccc4c3CN(C)C4=O)CC2)CC1,LAUHBYJHMBXFOB-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:4:202328:227891,COC1CCN(C2CCN(S(=O)(=O)c3ccccc3-c3ccccc3CN(C)C)CC2)CC1,YBRFYOJQBRTIAQ-UHFFFAOYSA-N
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-rxn:4:202882:223505,COC(=O)c1c(-c2ccc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cc2)cnn1C(F)F,SFLMHXSKLZVZSG-UHFFFAOYSA-N
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-rxn:4:203878:224008,CC1CCN(Cc2cc([N+](=O)[O-])ccc2-c2cc(C(=O)N3CCOCC3)cc([N+](=O)[O-])c2)CC1,JGOYXICBIFVRHN-UHFFFAOYSA-N
-rxn:4:203884:223493,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccc(CS(=O)(=O)N2CCN(C)CC2)cc1,CAUIWWJQUPOVPU-UHFFFAOYSA-N
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-rxn:4:204109:228225,O=C1COCC(=O)N1C1CCN(S(=O)(=O)c2ccccc2-c2cc(Cl)cnc2C2CC2)CC1,WFJBYKXKRAMHHQ-UHFFFAOYSA-N
-rxn:4:204116:223071,CCS(=O)(=O)NCc1ccc(-c2cccc(C(=O)N3CCCN(C4CCOC4)CC3)c2)cc1,FGGIBZCNDCLVQR-UHFFFAOYSA-N
-rxn:4:204116:224672,CCN1CCN(c2ccc(-c3cccc(C(=O)N4CCCN(C5CCOC5)CC4)c3)c(Cl)c2)CC1,KXXYKOPLXOCDOK-UHFFFAOYSA-N
-rxn:4:204125:222701,Cc1ccc(N2CCN(S(=O)(=O)c3ccc(-c4cc(C5CCCNC5)cc(C(F)(F)F)c4)cc3)CC2)cc1Cl,NULBUMPJRHYCTC-UHFFFAOYSA-N
-rxn:4:204173:224819,Cc1cc(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)ccc1-c1ccc(S(=O)(=O)N2CCOCC2)cc1,VMFWJHNXRIPKCA-UHFFFAOYSA-N
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-rxn:4:204568:224300,COc1cc(C(=O)N2CCSCC2)ccc1-c1cc(Cl)c2cccnc2c1OC(=O)N1CCOCC1,SDTYGFWIIXHWHD-UHFFFAOYSA-N
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-rxn:4:204601:222636,C[C@@H](NC(=O)OC(C)(C)C)c1ccc(-c2cnc3c(c2)CN(C(=O)OC(C)(C)C)CC3)cc1,XKYIGQAFYIIJKR-QGZVFWFLSA-N
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-rxn:4:204604:223596,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)ccc2-c2cnc3c(c2)CCN(C(=O)OC(C)(C)C)C3)CC1,DRFOPNJLRKFOED-UHFFFAOYSA-N
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-rxn:4:204682:223689,CCN1CCN(S(=O)(=O)c2cc(-c3nc(C)cc4c3CN(C(=O)OC(C)(C)C)CC4)ccc2OC)CC1,IBRCMVFNIBXTSV-UHFFFAOYSA-N
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-rxn:4:206446:223952,CN1CCN(CCOc2ccc(-c3cnc(C(=O)N4CCSCC4)c(Cl)c3)cc2Cl)CC1,DJOFIXHQUYCFKU-UHFFFAOYSA-N
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-rxn:4:206524:223993,Cc1cc(-c2cncc(S(=O)(=O)N3CCOCC3)c2)ccc1S(=O)(=O)N1CCN(C)CC1,GAVKBWPIHVUFOJ-UHFFFAOYSA-N
-rxn:4:206789:223671,Cc1cc([N+](=O)[O-])cc(-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)c1N1CCOCC1,UXKVWEDJGHAXAZ-UHFFFAOYSA-N
-rxn:4:206789:224406,Cc1cc([N+](=O)[O-])cc(-c2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)c1N1CCOCC1,VWLYSSODWCZXER-UHFFFAOYSA-N
-rxn:4:206832:224015,CC(=O)N1CCCC(c2cccc(-c3cc(S(=O)(=O)N4CCOCC4)c(C)cc3F)n2)C1,QTBFLOKFKKVXRH-UHFFFAOYSA-N
-rxn:4:206945:224319,Cc1cc(S(=O)(=O)N2CCCCC2)ccc1-c1sc(C2CCCN(S(C)(=O)=O)C2)nc1C,CUNOMOCBFCQBEV-UHFFFAOYSA-N
-rxn:4:206948:224391,Cc1cc(S(=O)(=O)N2CCOCC2)ccc1-c1cccc(S(=O)(=O)N2CCC(C)CC2)n1,MNTURQFYRNSRGT-UHFFFAOYSA-N
-rxn:4:206970:224590,CC1CCN(Cc2ccc(-c3cc(N4CCC(C)CC4)c([N+](=O)[O-])cc3F)c(F)c2)CC1,QNWDAYPRAGYSKU-UHFFFAOYSA-N
-rxn:4:207046:223542,CC(C)N1CCCC(c2ccc(-c3ccc(OC(F)(F)F)c(S(=O)(=O)N4CCN(C)CC4)c3)cn2)C1,NWRGXBBFGAWZTP-UHFFFAOYSA-N
-rxn:4:207064:222718,Cc1cc(-c2cc(S(=O)(=O)N3CCNCC3)ccc2C)c(S(=O)(=O)N2CCN(C)CC2)cc1Cl,PAALCPKXTWAOKS-UHFFFAOYSA-N
-rxn:4:207064:225174,Cc1cc(-c2ccc(F)cc2CN2CCOCC2)c(S(=O)(=O)N2CCN(C)CC2)cc1Cl,ZQSXNKMIGKTUHY-UHFFFAOYSA-N
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-rxn:4:212541:223574,CC(C)(C)OC(=O)N1CCN(Cc2cccc(-c3cncc(OCC4CN(C(=O)OC(C)(C)C)C4)n3)c2)CC1,AUXMHSAVVBGCPK-UHFFFAOYSA-N
-rxn:4:212541:223685,CC(C)(C)OC(=O)N1CC(COc2cncc(-c3ccc(OC(F)(F)F)c(OCc4cccnc4)c3)n2)C1,UGJGQNHMAZQYRZ-UHFFFAOYSA-N
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-rxn:4:212542:225827,CCOCC(=O)N1CCCC(Oc2ncc(-c3ccnc(N4CCN(C)CC4)c3)cn2)C1,CKEDUVXZKYJLCH-UHFFFAOYSA-N
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-rxn:4:212593:223773,COc1cccc2cc(-c3ccc(C(=O)N(C)C4CN(C(=O)OC(C)(C)C)C4)cn3)n(C(=O)OC(C)(C)C)c12,VRJOOBDORWQPEP-UHFFFAOYSA-N
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-rxn:4:212648:225561,Cn1cc(-c2ccccc2C(=O)OC(C)(C)C)c(OCC2CCN(C(=O)OC(C)(C)C)CC2)n1,IZCMDPOYSIJICK-UHFFFAOYSA-N
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-rxn:4:212658:224359,CCN(CC)C(=O)c1cc(-c2cnc(C(=O)OC)c(N3CCN(C(=O)OC(C)(C)C)CC3)c2)cc([N+](=O)[O-])c1,QOSPZHLLSPPGBE-UHFFFAOYSA-N
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-rxn:4:213126:225210,Cc1nc(N2CCC(C)CC2)ncc1-c1ccc(CN2CCN(C(=O)OC(C)(C)C)CC2)cn1,OCDBGZLVWOBILB-UHFFFAOYSA-N
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-rxn:4:213126:226655,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cc(Cl)cnc3N3CCCC3)nc2)CC1,LIKLTYLZGVULEM-UHFFFAOYSA-N
-rxn:4:213127:223930,Cc1cc2c(cnn2C(=O)OC(C)(C)C)cc1-c1ccnc(CN2CCN(C(=O)OC(C)(C)C)CC2)c1,LSWOKTBBXBGAOZ-UHFFFAOYSA-N
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-rxn:4:213134:225671,CCC(C)(C)C(=O)N1CCC(Oc2ncc(-c3cc(C4CCCCC4)ncc3F)cn2)CC1,ZDSIGXBJEWCJMJ-UHFFFAOYSA-N
-rxn:4:213150:222630,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(-c3cc(C4CCC4)nc(C4CCNCC4)c3)cn2)CC1,YQFOITBDYJMXPK-UHFFFAOYSA-N
-rxn:4:213150:222813,CC(C)(C)OC(=O)Nc1ncc(-c2ccc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)nc2)cc1Cl,QRLKXKAVFGISLE-UHFFFAOYSA-N
-rxn:4:213150:226187,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(-c3cccc(C4CCOCC4)c3)cn2)CC1,NVBQNYFDWFDJGE-UHFFFAOYSA-N
-rxn:4:213150:226511,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(-c3cc(Cl)cnc3OCC3CC3)cn2)CC1,SRAYIKLSCIMDBV-UHFFFAOYSA-N
-rxn:4:213152:223951,COc1ccc(-c2ccc(OCCN3CCN(C)CC3)c(F)c2)cc1CN1CCC(Oc2ncc(F)cn2)CC1,QRHQBWWANVCYDL-UHFFFAOYSA-N
-rxn:4:213152:223954,COc1ccc(-c2ccc(OCCN3CCC(=O)CC3)c(F)c2)cc1CN1CCC(Oc2ncc(F)cn2)CC1,KJEFXNSAUJCITA-UHFFFAOYSA-N
-rxn:4:213160:225294,CCN1CCN(c2ncc(-c3cnc(OC4CCN(S(=O)(=O)c5ccccc5OC)CC4)nc3)cn2)CC1,RFKKRSCDHQWMHQ-UHFFFAOYSA-N
-rxn:4:213236:222524,COc1ccc(S(=O)(=O)N2CCCC(Oc3ncc(-c4cc(F)c(F)cc4S(=O)(=O)N4CCC(O)CC4)cn3)C2)cc1C,KBGZCIVBPGETTH-UHFFFAOYSA-N
-rxn:4:213237:223166,CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1c1ncc(-c2ccc(-c3ccc(N4CCNCC4)nc3)cc2)[nH]1,HJFYTETZBFVHTB-QFIPXVFZSA-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:4:213269:225172,COc1ccc(-c2cc(CN3CCOCC3)ccc2F)c(C(=O)N2CCC(n3nc(C4CC4)ccc3=O)CC2)c1,STVJUYVYPOJMPW-UHFFFAOYSA-N
-rxn:4:213281:226083,COc1c(-c2cccnc2OC2CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)CC2)ccc2ccccc12,HUSRUEZPUNDERZ-UHFFFAOYSA-N
-rxn:4:213378:223894,CN1CCN(CCCOc2cccc(-c3cnc(OC4CCCN(C(=O)Cc5cccc6ccccc56)C4)nc3)c2)CC1,LYFUWXOYPXCHRO-UHFFFAOYSA-N
-rxn:4:213388:226524,CCOC(=O)c1ccc(-c2ccnc3c2ccn3CC2CCN(C(=O)OC(C)(C)C)CC2)c(F)c1,HCOPRCILDSNOMX-UHFFFAOYSA-N
-rxn:4:213618:222426,CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)Nc1ccc(-c3cncc(C(=O)N4CC(Oc5cccnc5)C4)c3)cc12,FYGXSDVDUGSPPC-UHFFFAOYSA-N
-rxn:4:213665:224668,CCOC(=O)N1CCN(c2ncccc2-c2cc(F)cc(N3CCN(CC)CC3)c2)CC1,XLYAHKZNXOOERY-UHFFFAOYSA-N
-rxn:4:213672:222856,CCOC(=O)N1CCN(c2ncc(Cl)cc2-c2cc(C3CCNCC3)ccc2OC)CC1,VDDSBAKKMPQCJK-UHFFFAOYSA-N
-rxn:4:213713:224847,CC(C)(C)OC(=O)N1CCC[C@H]1c1ncc(-c2cc(C(C)(C)C)ccc2C(C)(C)C)[nH]1,GURUHBNOYHVXFW-NRFANRHFSA-N
-rxn:4:213777:223830,CCOC(=O)c1nc(N2CCN(C)CC2)ccc1-c1ccc(C)c(S(=O)(=O)N2CCN(CC)CC2)c1,KSDHZBIZMWQCJT-UHFFFAOYSA-N
-rxn:4:213798:225977,CC(C)(C)OC(=O)N1CCOC(c2cnc(-c3cc(Cl)cnc3N3CCOCC3)cn2)C1,ZXRXYJDGWZJVSA-UHFFFAOYSA-N
-rxn:4:213801:223503,CC(C)(C)OC(=O)N1CCC(Oc2cc(F)c(-c3cncc(C4CN(C(=O)OC(C)(C)C)CCO4)n3)c(F)c2)CC1,FQFHOMXDGSEAJG-UHFFFAOYSA-N
-rxn:4:213801:223637,CC(C)(C)OC(=O)N1CCCC(c2ccccc2-c2cncc(C3CN(C(=O)OC(C)(C)C)CCO3)n2)C1,VCXXYXMRIDIQQQ-UHFFFAOYSA-N
-rxn:4:213803:225882,CC(C)(C)OC(=O)N1CCOCC1c1ncc(-c2cnc(Cl)c(C3CCOCC3)c2)cn1,AAEPNOILVZXOEK-UHFFFAOYSA-N
-rxn:4:213817:224196,CCN1CCN(Cc2cc(F)cc(-c3cnccc3OC3CCN(C(=O)c4sc(C)nc4C)C3)c2)CC1,BVRLMRLRTBMQJI-UHFFFAOYSA-N
-rxn:4:213843:224268,CC(C)(C)OC(=O)N1CCN(c2cc(-c3ccc4c(cnn4C(=O)OC(C)(C)C)c3)ccn2)C(=O)C1,UXLQIJVQCFGUDK-UHFFFAOYSA-N
-rxn:4:213875:223501,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3cccc(N4CCN(C(=O)OC(C)(C)C)CC4)n3)cc2Cl)CC1,XHYHSBQDHWWGMV-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:4:213877:225898,CC(C)(C)OC(=O)N1CCN(c2ccnc(-c3cnn(CCN4CCOCC4)c3)c2)CC1,VCZGLFHZMJQVKQ-UHFFFAOYSA-N
-rxn:4:213888:224290,CC(C)(C)OC(=O)N1CCCC(c2cncc(-c3ccc(Cl)cc3OCCN3CCOCC3)n2)C1,OOOVCBNECMDACW-UHFFFAOYSA-N
-rxn:4:213894:225898,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnn(CCN4CCOCC4)c3)cn2)CC1,YSDRWWGKNSGTSY-UHFFFAOYSA-N
-rxn:4:213897:225984,CC(C)(C)OC(=O)N1CCN(c2ccncc2-c2cnc(Cl)c(N3CCOCC3)c2)CC1,RQBIOFOQBYSUGV-UHFFFAOYSA-N
-rxn:4:213901:224720,CC(C)(C)OC(=O)N1CCN(c2nc(Cl)ccc2-c2cn(C(=O)OC(C)(C)C)nc2C2CC2)CC1,LZYPASBMWWHMOB-UHFFFAOYSA-N
-rxn:4:213902:224718,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3ccc(OCCN4CCOCC4)nc3)cc2F)CC1,WWXPVMIRRQZTHH-UHFFFAOYSA-N
-rxn:4:213905:223835,Cc1cc(F)c(-c2ccc(S(=O)(=O)N3CCC(Cn4ccnc4)CC3)cc2)cc1S(=O)(=O)N1CCC(C)CC1,ZQZVZATVXJQVKC-UHFFFAOYSA-N
-rxn:4:213905:224193,CCN1CCN(Cc2cc(-c3ccc(S(=O)(=O)N4CCC(Cn5ccnc5)CC4)cc3)ccc2F)CC1,OBMQUVWLDJXVJZ-UHFFFAOYSA-N
-rxn:4:213942:223823,Cc1nn(C2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1cnn(C2CCN(C(=O)OC(C)(C)C)CC2)c1,RQEPTXMBUNXAPC-UHFFFAOYSA-N
-rxn:4:213942:225521,CCCCOc1cc(-c2cn(C3CCN(C(=O)OC(C)(C)C)CC3)nc2C)ccc1OC,SGMHEZSHURNCDR-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:4:213972:225313,CN1CCN(c2ccc(-c3cnc(N4CCOC(C(=O)N5CCOCC5)C4)c(C(F)(F)F)c3)c(F)n2)CC1,VBSCOHCJTBHUIT-UHFFFAOYSA-N
-rxn:4:213972:227464,CCCCSc1ncc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)c(C(F)(F)F)c2)cn1,IDXIKMPUELZJNY-UHFFFAOYSA-N
-rxn:4:213974:223687,CC(C)(C)OC(=O)N1CCCN(c2cccc(-c3cnc(N4CCN(C(=O)OC(C)(C)C)CC4)nc3)n2)CC1,RUEUJUISQWMHFZ-UHFFFAOYSA-N
-rxn:4:213982:223648,CC1CN(C(=O)OC(C)(C)C)CCC1c1cc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2)ncn1,BNAWLIIDRULFOI-UHFFFAOYSA-N
-rxn:4:214011:222848,CCc1cc(-c2ccc(S(=O)(=O)n3nc(C)c(S(=O)(=O)N4CCCC4)c3C)cc2)cc(C2CCCNC2)n1,COEIZPGHEVCMEC-UHFFFAOYSA-N
-rxn:4:214012:222988,Cc1cc(-c2ccccc2S(=O)(=O)N2CCC(S(=O)(=O)c3nccn3C)CC2)cc(C2CCNCC2)n1,ATGFCOPAVSHXRP-UHFFFAOYSA-N
-rxn:4:214022:224718,Cc1ccc(C(=O)N2CCCC(Oc3ncc(-c4ccc(OCCN5CCOCC5)nc4)cn3)C2)cc1C,HXVGWJNTSNHEBM-UHFFFAOYSA-N
-rxn:4:214036:222787,CN(C)c1ccc(C2CC(c3ccc(-c4ccc(NC(=O)OC(C)(C)C)cc4Cl)cc3)=NN2S(C)(=O)=O)cc1,SRTLWPXGNSNMCC-UHFFFAOYSA-N
-rxn:4:214056:225975,CC(=O)N1CCN(C2=NC(=O)C(=Cc3ccc(-c4ccccc4-c4ccnc(N5CCOCC5)c4Cl)o3)S2)CC1,YYNUJPVMCJKSNY-UHFFFAOYSA-N
-rxn:4:214056:225976,CC(=O)N1CCN(C2=NC(=O)C(=Cc3ccc(-c4ccccc4-c4ccnc(N5CCOCC5)c4F)o3)S2)CC1,MAHKBUIWNIONJD-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:4:214065:224586,Cc1nn(C(=O)c2ccc(-c3cc(F)ccc3CN3CCC(C)CC3)cc2)c(C)c1S(=O)(=O)N1CCC(C)CC1,VZEXEKSDHRAPHS-UHFFFAOYSA-N
-rxn:4:214065:226589,Cc1nn(C(=O)c2ccc(-c3cc(C(F)F)ncc3C(C)C)cc2)c(C)c1S(=O)(=O)N1CCC(C)CC1,HNCMIQKRWOLLDD-UHFFFAOYSA-N
-rxn:4:214071:223387,CCOC(=O)c1cc(-c2cccc(C(=O)N3CCN(S(=O)(=O)N4CCCCCC4)CC3)c2)[nH]n1,GTIYCSPALXGWOF-UHFFFAOYSA-N
-rxn:4:214205:222538,C#CCn1c(C2CC(=O)N(c3ccc(-c4cc(C5CCCC5)nc(C5CCNCC5)c4)cc3)C2)nc2ccccc21,GFKQNROTZRLLHD-UHFFFAOYSA-N
-rxn:4:214212:222524,O=C(c1cc2ccccc2[nH]1)N1CCN(C(=O)c2ccc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCC(O)CC3)o2)CC1,AYMYNADIJZHAQX-UHFFFAOYSA-N
-rxn:4:214219:223812,O=C(c1cncc(-c2cc(F)cc(CN3CCC4(CC3)OCCO4)c2)c1)N1CCC(Oc2nc3ccc(F)cc3s2)CC1,KPTNLDIELRPDIK-UHFFFAOYSA-N
-rxn:4:214231:225979,CC(C)(C)OC(=O)N1CCOC(c2cn3c(-c4cnc(N5CCOCC5)c(Cl)c4)cccc3n2)C1,ZAGHQNSBNARBBW-UHFFFAOYSA-N
-rxn:4:214308:225295,Cn1c(=NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)sc2cc(-c3ccccc3S(=O)(=O)N3CCCC3)ccc21,WSJRXKKRTVHZSU-UHFFFAOYSA-N
-rxn:4:214586:223602,CC(=O)N1CCC(Oc2cnc(-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3Cl)cn2)C1,RMRBCAQEHMZPMI-UHFFFAOYSA-N
-rxn:4:214588:223602,CC(=O)N1CCC(Oc2ncc(-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3Cl)cn2)C1,NTJWMONXONRNQO-UHFFFAOYSA-N
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-rxn:4:214645:223998,CC1CCN(S(=O)(=O)c2ccc(-c3ncc(OCC4CCN(C)CC4)cn3)cc2F)CC1,GFRBYSVMCBRZLA-UHFFFAOYSA-N
-rxn:4:214646:223993,Cc1cc(-c2nccc(OCC3CCN(C)CC3)n2)ccc1S(=O)(=O)N1CCN(C)CC1,QKKUDBUZMTYREA-UHFFFAOYSA-N
-rxn:4:214660:223945,Cn1ncc(-c2ccc(OCCCN3CCOCC3)c(F)c2)c1C(=O)N1CCC(C(F)(F)F)CC1,MUTYAEUJNQAGTP-UHFFFAOYSA-N
-rxn:4:214774:224325,CN(C)S(=O)(=O)N1CCN(c2ccc(-c3ccc(C4=CCN(S(C)(=O)=O)CC4)cc3)cc2)CC1,MXHJTEWMAQTGSU-UHFFFAOYSA-N
-rxn:4:214792:224391,COC(C)c1ncc(N2CCN(C)CC2)cc1-c1ccc(S(=O)(=O)N2CCOCC2)cc1C,MUMVQECFJWCOPH-UHFFFAOYSA-N
-rxn:4:214805:222405,O=C1NC(=O)C(c2cccc(-c3ccc(N4CCCN(S(=O)(=O)C5CC5)CC4)nc3)c2)N1,KPYJSSROPQVXKT-UHFFFAOYSA-N
-rxn:4:214818:226981,CCCCCCc1ccsc1-c1cnc(N2CCN(C(=O)C3CCCO3)CC2)c(Cl)c1,SCYKKGUVQKHHSJ-UHFFFAOYSA-N
-rxn:4:214820:223028,CCCNC(=O)c1ccc(F)c(-c2cnc(N3CCOC(C(=O)N4CCCC4)C3)c(F)c2)c1,YQQFRZFCTFGTEX-UHFFFAOYSA-N
-rxn:4:214820:226259,CCCCOc1ccc(-c2cnc(N3CCOC(C(=O)N4CCCC4)C3)c(F)c2)cc1Cl,PVGCKQNCGNUQIC-UHFFFAOYSA-N
-rxn:4:214835:223901,CC1CCN(CCOc2ccc(-c3cc(Cl)cnc3N3CCOC(C(=O)N4CCOCC4)C3)cc2Cl)CC1,IFEBNARBXOZXER-UHFFFAOYSA-N
-rxn:4:214837:225518,CCCCCOc1ncc(C)cc1-c1cnc(N2CCOC(C(=O)N3CCSCC3)C2)c(Cl)c1,JUYHBSCHZYJIMC-UHFFFAOYSA-N
-rxn:4:214839:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cnc(N4CCOC(C(=O)N5CCSCC5)C4)c(F)c3)c2Cl)CC1,UJOXFEPUQXOPKU-UHFFFAOYSA-N
-rxn:4:214862:223595,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cncc(C(=O)N4CCCN(C5CCSC5)CC4)c3)cc2F)CC1,XARLHXSQFVEPCE-UHFFFAOYSA-N
-rxn:4:214871:223670,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2cnc(N3CCCC(C(=O)N4CCOCC4)C3)c(Cl)c2)CC1,QDDAAIQDACESLO-UHFFFAOYSA-N
-rxn:4:214874:226255,CCCCOc1ccc(Cl)cc1-c1cnc(N2CCOC(C(=O)N3CCCCC3)C2)c(F)c1,KMWCGUFMRLRZHW-UHFFFAOYSA-N
-rxn:4:214890:225613,O=C(c1cncc(-c2ccnc(OC3CCCCC3)c2)c1)N1CCCN(C2CCSCC2)CC1,WTTHSYFVLVHLJL-UHFFFAOYSA-N
-rxn:4:215027:223583,COC(=O)c1ccc2c(-c3cnn4c3N(C(=O)OC(C)(C)C)CC4)cn(C(=O)OC(C)(C)C)c2c1,DNVDJELFDPHMIE-UHFFFAOYSA-N
-rxn:4:215105:224732,CC(C)(C)COS(=O)(=O)c1ccc(-c2n[nH]c3c2CN(C(=O)OC(C)(C)C)C3(C)C)cc1,SJIOTZWRQQRPBS-UHFFFAOYSA-N
-rxn:4:215143:223540,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1ccccc1S(=O)(=O)N1CCn2nc(C3CC3)cc2C1,DGKHLGDQOZVTBE-UHFFFAOYSA-N
-rxn:4:215143:223970,Cc1ccc(-c2ccccc2S(=O)(=O)N2CCn3nc(C4CC4)cc3C2)cc1S(=O)(=O)N1CCC(C)CC1,BCBIOFUKMUAKHG-UHFFFAOYSA-N
-rxn:4:215183:223822,CC(C)(C)COC(=O)c1ccc(C(F)(F)F)cc1-c1cncc(C(=O)N2CC(N3CCc4ccccc4C3)C2)c1,JBHRBKFEWMWEAZ-UHFFFAOYSA-N
-rxn:4:215197:223835,Cc1cc(F)c(-c2ccccc2S(=O)(=O)N2CCC3CN(c4ccccn4)CC32)cc1S(=O)(=O)N1CCC(C)CC1,ZYCHRJXJBLTJRL-UHFFFAOYSA-N
-rxn:4:215232:224198,CCN1CCN(Cc2ccc(-c3ccc4ccc(N5CCCC(C(=O)N6CCOCC6)C5)nc4c3)c(F)c2)CC1,LSPVBXPQFDDGKX-UHFFFAOYSA-N
-rxn:4:215908:222722,CS(=O)(=O)N1CCN(c2cncc(-c3cccc(S(=O)(=O)N4CCC(O)CC4)c3)c2)CC1,MZMRSLYWRGSTQO-UHFFFAOYSA-N
-rxn:4:215914:223602,Cc1nc(N2CCC(C(F)(F)F)CC2)ncc1-c1ccnc(N2CCN(C(=O)OC(C)(C)C)CC2)c1Cl,FCILMQONDVIUAA-UHFFFAOYSA-N
-rxn:4:215925:223787,CC(C)c1cc(N2CCOCC2)nc(-c2ccc(OCCCN3CCN(C)CC3)c(F)c2)n1,MRZWHVSGZZIDQK-UHFFFAOYSA-N
-rxn:4:215966:224198,CCN1CCN(Cc2ccc(-c3nc(C4CC4)cc(N4CCC(C)CC4)n3)c(F)c2)CC1,KFUWYRMYCBCRCU-UHFFFAOYSA-N
-rxn:4:215981:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1nc(N2CCCCC2)cc(C(C)(C)C)n1,AVUFAZQWTWCNCQ-UHFFFAOYSA-N
-rxn:4:217034:223521,CC(c1cccc(-c2nncn2C2CCOCC2)c1)N1CCN(C(=O)OC(C)(C)C)CC1,BYDRRJFXDXQABR-UHFFFAOYSA-N
-rxn:4:217040:223506,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cccc(-c3c[nH]c(N4CCOCC4)n3)c2)CC1,GJGTWPLFSDQZJE-UHFFFAOYSA-N
-rxn:4:217118:223506,Cc1cc(N2CCCC2)nc(-c2cccc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)n1,XFZNTDHKTXQAKW-UHFFFAOYSA-N
-rxn:4:217907:225825,CN1CCN(c2ccc(-c3ccc4c(c3)C3CC(c5ccc(Cl)cc5)=NN3C3(CCN(C)CC3)O4)cn2)CC1,PYYAYTNDTBSIDR-UHFFFAOYSA-N
-rxn:4:217907:225827,CN1CCN(c2cc(-c3ccc4c(c3)C3CC(c5ccc(Cl)cc5)=NN3C3(CCN(C)CC3)O4)ccn2)CC1,AGKMDAQLXJVAPT-UHFFFAOYSA-N
-rxn:4:217907:226662,CN1CCN(c2ccc(-c3ccc4c(c3)C3CC(c5ccc(Cl)cc5)=NN3C3(CCN(C)CC3)O4)s2)CC1,AJMIDENENAENEP-UHFFFAOYSA-N
-rxn:4:218578:223084,CC(C)(C)OC(=O)N1CCC(CC#N)(n2cc(-c3cnc(N4CCC(O)CC4)nc3)cn2)CC1,NCWGTUCAYOBIDI-UHFFFAOYSA-N
-rxn:4:218578:225294,CCN1CCN(c2ncc(-c3cnn(C4(CC#N)CCN(C(=O)OC(C)(C)C)CC4)c3)cn2)CC1,OCMGDHUGLDHCCU-UHFFFAOYSA-N
-rxn:4:218586:222948,N#Cc1ccc(CN2CCCC(COc3ncc(-c4cnc(N5CCC(O)CC5)nc4Cl)cn3)C2)c(F)c1,IGNTZNCBHOTNCH-UHFFFAOYSA-N
-rxn:4:218587:223001,N#Cc1ccc(S(=O)(=O)N2CCC(COc3ncc(-c4cc(C5CCCNC5)ccc4F)cn3)CC2)cc1,ADLLYTHOBCCQPM-UHFFFAOYSA-N
-rxn:4:218587:223508,N#Cc1ccc(S(=O)(=O)N2CCC(COc3ncc(-c4ccc(N5CCN(S(=O)(=O)c6ccc(Cl)cc6)CC5)nc4)cn3)CC2)cc1,CTPGTNBMESVQFF-UHFFFAOYSA-N
-rxn:4:218615:223649,CN(CC1CCN(C(=O)OC(C)(C)C)C1)c1cnc(-c2cccc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)cn1,RFWLJOURJYMOJG-UHFFFAOYSA-N
-rxn:4:218652:226832,CN(CC1CCN(C(=O)OC(C)(C)C)CC1)c1cnc(-c2cccnc2OCC(F)(F)F)cn1,MOIPTXCIJARYPZ-UHFFFAOYSA-N
-rxn:4:218704:224158,Cc1cc(Cl)ccc1OCC(=O)N1CCCN(c2cc(-c3ccc(-c4ccc5c(ccn5C(=O)OC(C)(C)C)c4)cc3)n[nH]2)CC1,XIJAPWAHOBZHJD-UHFFFAOYSA-N
-rxn:4:218707:223180,CONC(=O)c1ccc(-c2c(C)nn(C(C)CC(=O)N3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)c2C)cc1F,MQMNSXPPBKTQQI-UHFFFAOYSA-N
-rxn:4:218778:224271,Cc1cc(Cn2c(N3CC4(CN(C(=O)OC(C)(C)C)C4)C3)nc3c(-c4cc5cccnc5n4C(=O)OC(C)(C)C)cc(Cl)cc32)cc(C)c1F,NFCSTYVNQJOKOB-UHFFFAOYSA-N
-rxn:4:218778:225105,CCN(CC)C(=O)c1ccc(-c2cc(Cl)cc3c2nc(N2CC4(CN(C(=O)OC(C)(C)C)C4)C2)n3Cc2cc(C)c(F)c(C)c2)cc1F,BKLBNFYRSJAYGC-UHFFFAOYSA-N
-rxn:4:218885:223787,Cc1ncsc1C(=O)N1CCC(COc2ncc(-c3ccc(OCCCN4CCN(C)CC4)c(F)c3)cn2)CC1,HPUQBZRDNFKMMS-UHFFFAOYSA-N
-rxn:4:218917:224962,CC(C)(C)OC(=O)N1CCN(C(=O)c2ncc(-c3ccccc3COC3CCOCC3)cn2)CC1,YRCAFWJUJOLQEB-UHFFFAOYSA-N
-rxn:4:218972:222542,Cc1nc(C)c(C(=O)N2CCCC(COc3ncc(-c4ccc(C)c(OCCCN5CCNCC5)c4)cn3)C2)s1,OXWDVWJYTXFCHZ-UHFFFAOYSA-N
-rxn:4:218972:222546,Cc1nc(C)c(C(=O)N2CCCC(COc3ncc(-c4ccc(OCCNC5CCCCC5)c(F)c4)cn3)C2)s1,CVNLOTSDVGJOLX-UHFFFAOYSA-N
-rxn:4:218972:224672,CCN1CCN(c2ccc(-c3cnc(OCC4CCCN(C(=O)c5sc(C)nc5C)C4)nc3)c(Cl)c2)CC1,QYDALDFTQDYRAT-UHFFFAOYSA-N
-rxn:4:219002:223812,Cn1cccc(C(=O)N2CCCC(COc3ncc(-c4cc(F)cc(CN5CCC6(CC5)OCCO6)c4)cn3)C2)c1=O,YKSULZXRIISNQC-UHFFFAOYSA-N
-rxn:4:219028:222426,CC1CN(C(=O)c2cnn(C)c2-c2ccc3c(c2)C2(CCN(C(=O)OC(C)(C)C)CC2)C(=O)N3)CCN1C(=O)OC(C)(C)C,YUTUFFIMPNABCU-UHFFFAOYSA-N
-rxn:4:219028:224158,CC1CN(C(=O)c2cnn(C)c2-c2ccc3c(ccn3C(=O)OC(C)(C)C)c2)CCN1C(=O)OC(C)(C)C,IXOOQCZFSQUQEK-UHFFFAOYSA-N
-rxn:4:219046:225328,CCCSc1ncc(C(F)(F)F)cc1-c1cnc(OCC2CCCN(C3CCN(C4CC4)C3=O)C2)nc1,LZGZDTQTTYYIPF-UHFFFAOYSA-N
-rxn:4:219048:223998,CC1CCN(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCC(N(c5ccncn5)C5CC5)CC4)cc3)cc2F)CC1,VYMWSTKINLRLGN-UHFFFAOYSA-N
-rxn:4:219053:223062,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cncc(-c4cnc(C5CCNCC5)cc4F)c3)cn2)CC1,HVGKHVSUHVENTC-UHFFFAOYSA-N
-rxn:4:219071:224327,Cc1ccc(-c2cc(C(=O)N3CCN(S(=O)(=O)c4ccc(-c5cccc(S(=O)(=O)N6CCCC(C)C6)c5)cc4)CC3)n[nH]2)cc1,NQRXYCPGWJUEBC-UHFFFAOYSA-N
-rxn:4:219079:222826,Cc1cccc(CC(=O)N2CCCN(c3cc(-c4ccc(-c5cccc(S(=O)(=O)N6CCNCC6)c5)cc4)n[nH]3)CC2)c1,IJQGGDGSCXFNHL-UHFFFAOYSA-N
-rxn:4:219079:224397,Cc1cccc(CC(=O)N2CCCN(c3cc(-c4ccc(-c5ccc(S(=O)(=O)N6CCC(=O)CC6)cc5)cc4)n[nH]3)CC2)c1,ZXDNIHWWUVALBP-UHFFFAOYSA-N
-rxn:4:219107:223939,CCC(=O)C1=C(c2ccc(-c3ccc4c(c3)N(C(=O)OC(C)(C)C)CCO4)cc2)N(C(=O)CC)n2c(C)nnc2S1,SGTRHSLZMSGQBM-UHFFFAOYSA-N
-rxn:4:219120:225977,O=C(c1cncc(-c2cc(Cl)cnc2N2CCOCC2)c1)N1CC2CCCC2(COc2ncc(F)cn2)C1,XTSATQCTOIBRTL-UHFFFAOYSA-N
-rxn:4:219128:225172,Fc1ccc(CN2CCOCC2)cc1-c1cnc(OCC2CCN(Cc3nc4c(s3)CCC4)CC2)nc1,WUMWEWOTJVNXGL-UHFFFAOYSA-N
-rxn:4:219243:223651,Cc1nc(C2CCN(C(=O)OC(C)(C)C)C2)ccc1-c1ncn(C2CN(C(=O)OC(C)(C)C)C2)n1,YYZAKOLOIXLVJR-UHFFFAOYSA-N
-rxn:4:219312:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3cnc(OCC4CCCN(c5nccs5)C4)nc3)c2)CC1,RVUISMZSQTUEHT-UHFFFAOYSA-N
-rxn:4:219353:225294,CCN1CCN(c2ncc(-c3cnc(OC4CCN(S(=O)(=O)N(C)C)CC4)nc3)cn2)CC1,QSIWHAIRZRLMPY-UHFFFAOYSA-N
-rxn:4:219371:223939,CC(C)(C)OC(=O)N1CCC(n2cnnc2-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CCO3)CC1,XQVZBKIBWLZMPV-UHFFFAOYSA-N
-rxn:4:219380:223595,CCc1cnc(N2CCC(Oc3ccncc3-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)c(F)c3)C2)nc1,NZRLSFHNYLJAOC-UHFFFAOYSA-N
-rxn:4:219388:224758,O=C(c1ccc(-c2ccc(C(=O)N3CCOCC3)c(Cl)c2)o1)N1CCCN(S(=O)(=O)c2c[nH]cn2)CC1,LVSVXEORLWGPES-UHFFFAOYSA-N
-rxn:4:219388:224762,O=C(c1ccc(-c2ccc(C(=O)N3CCOCC3)c(F)c2)o1)N1CCCN(S(=O)(=O)c2c[nH]cn2)CC1,UWZUVMHNFWQUCG-UHFFFAOYSA-N
-rxn:4:219388:224767,O=C(c1ccc(-c2cccc(C(=O)N3CCOCC3)c2F)o1)N1CCCN(S(=O)(=O)c2c[nH]cn2)CC1,JBMQRHCACZURHJ-UHFFFAOYSA-N
-rxn:4:219402:223945,CC(C)(C)OC(=O)N1CCN(c2cnc(-c3ccc(OCCCN4CCOCC4)c(F)c3)cn2)CC1,GSBJVYCQEZLDAG-UHFFFAOYSA-N
-rxn:4:219403:224992,O=C1CCN(Cc2ccccc2-c2cnn(CC3CN(C4CCN(C5CC5)C4=O)C3)c2)CC1,YRNLNQFDAHYALO-UHFFFAOYSA-N
-rxn:4:219405:222584,CC(C)(C)OC(=O)N1CCN(c2ccnc(-c3ccc(OCCCN4CCNCC4)c(F)c3)n2)CC1,UVNKALCYMQKVLF-UHFFFAOYSA-N
-rxn:4:219407:224160,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3ccc4c(c3)CCN4C(=O)OC(C)(C)C)cn2)CC1,PORGKOWQKVWRCS-UHFFFAOYSA-N
-rxn:4:219410:225073,CCOC(=O)c1cc2cccc(-c3cnc(OC4CCN(S(=O)(=O)N5CCOCC5)C4)nc3)c2s1,ZDUSFJCOAXKGSC-UHFFFAOYSA-N
-rxn:4:219410:227258,CCCOc1ccc(-c2cnc(OC3CCN(S(=O)(=O)N4CCOCC4)C3)nc2)c(F)c1,PWGIMNNUUZXASP-UHFFFAOYSA-N
-rxn:4:219410:227472,CCCOc1ncc(Cl)cc1-c1cnc(OC2CCN(S(=O)(=O)N3CCOCC3)C2)nc1,XHQCLJNNLWPGGO-UHFFFAOYSA-N
-rxn:4:219410:227488,CSCOc1ccc(-c2cnc(OC3CCN(S(=O)(=O)N4CCOCC4)C3)nc2)cc1F,OVYJSRBCUMDNAR-UHFFFAOYSA-N
-rxn:4:219410:227499,CCN(C)c1cc(-c2cnc(OC3CCN(S(=O)(=O)N4CCOCC4)C3)nc2)cnc1Cl,SSYYCIPZANDSJQ-UHFFFAOYSA-N
-rxn:4:219410:228297,CCOC(=O)c1ccc(-c2cnc(OC3CCN(S(=O)(=O)N4CCOCC4)C3)nc2)s1,NYZPNWLMQMLSKM-UHFFFAOYSA-N
-rxn:4:219436:228363,CN(C)c1cc(F)c(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)c(C#N)c2)cn1,KSZXIIQPSZMCGQ-UHFFFAOYSA-N
-rxn:4:219462:225072,CCOC(=O)c1cc2c(-c3cnc(OC4CCCN(S(=O)(=O)N5CCCC5)C4)nc3)cccc2s1,OKQAIXMJDCBHQP-UHFFFAOYSA-N
-rxn:4:219462:225073,CCOC(=O)c1cc2cccc(-c3cnc(OC4CCCN(S(=O)(=O)N5CCCC5)C4)nc3)c2s1,FGUIYIUNQUGYMZ-UHFFFAOYSA-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:4:219531:227480,CCCOc1nccc(-c2cnc(SC)nc2N2CCOC(C(=O)N3CCCCC3)C2)c1Cl,WYDMNRZVVRFPDJ-UHFFFAOYSA-N
-rxn:4:219543:223696,Cc1cc(C)c(C#N)c(N2CCN(S(=O)(=O)c3ccc(-c4ccc(S(=O)(=O)N5CCC6(CC5)OCCO6)cc4)cc3)CC2)n1,RLIYQBXBZPKRTG-UHFFFAOYSA-N
-rxn:4:219560:222754,COc1ccc(C(=O)NC(C)(C)C)c(-c2ccccc2C(=O)N2CCCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)c1,SOOXAIOIMPUVMY-UHFFFAOYSA-N
-rxn:4:219560:222985,Cc1nc(C2CCCNC2)ccc1-c1ccccc1C(=O)N1CCCN(S(=O)(=O)c2cn(C)c(C)n2)CC1,MREXARUDRBGUIQ-UHFFFAOYSA-N
-rxn:4:219560:223061,Cc1nc(S(=O)(=O)N2CCCN(C(=O)c3ccccc3-c3cc(C4CCNCC4)ncc3F)CC2)cn1C,IGUDHPNPQMPMBY-UHFFFAOYSA-N
-rxn:4:219560:224827,COC(=O)c1ccc(OC(F)(F)F)cc1-c1ccccc1C(=O)N1CCCN(S(=O)(=O)c2cn(C)c(C)n2)CC1,XYZVTRQNXVVXOY-UHFFFAOYSA-N
-rxn:4:219565:222847,Cc1cc(C)c(C#N)c(N2CCCN(S(=O)(=O)c3ccc(-c4cc(C#N)cc(C5CCCNC5)c4)cc3)CC2)n1,WCEXNRUZZXECTN-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:4:219687:223659,CC(C)(C)OC(=O)N1CCC(Cn2cc(-c3ccc4nnn(C5CCN(C(=O)OC(C)(C)C)CC5)c4c3)cn2)CC1,IXUBSNBKPNZJFL-UHFFFAOYSA-N
-rxn:4:219688:223059,CC(C)(C)OC(=O)N1CCC(c2nc3ccc(-c4ccc(N5CCNCC5)cc4Cl)cn3n2)CC1,OSJQCPYUPBUPJF-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:4:219689:223687,CC(C)(C)OC(=O)N1CCN(c2ccc3ncc(-c4cnc(N5CCN(C(=O)OC(C)(C)C)CC5)nc4)n3c2)CC1,OFGZDRRLYMCAJD-UHFFFAOYSA-N
-rxn:4:219706:222791,CC(C)(C)OC(=O)Nc1ccc(Cl)c(-c2cc3ncnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3cc2Cl)c1,XLDAKZMQUOWNMT-UHFFFAOYSA-N
-rxn:4:219759:225984,CCN1CCN(C(=O)c2cc3n(n2)CC(c2ccc(-c4cnc(Cl)c(N5CCOCC5)c4)cc2)OC3)CC1,MYCGYYMNWXBEQB-UHFFFAOYSA-N
-rxn:4:219766:224243,CC1CCCCN1C(=O)c1cc(F)cc(-c2cncc(C(=O)N3CCC(Cn4nc5c(cc4=O)CCCC5)CC3)c2)c1,OBMZBNFCJKXYCJ-UHFFFAOYSA-N
-rxn:4:219840:223527,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)ccc2-c2cnc(N3CCN(CCF)CC3)nc2)CC1,NAPWEYCUSNAUSE-UHFFFAOYSA-N
-rxn:4:219840:223528,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3cnc(N4CCN(CCF)CC4)nc3)ccc2F)CC1,WWPCXHLDBIQECS-UHFFFAOYSA-N
-rxn:4:219840:223687,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3cnc(N4CCN(CCF)CC4)nc3)cn2)CC1,DRQYBYGFFOONAQ-UHFFFAOYSA-N
-rxn:4:219867:223670,CCN1CCN(c2ncc(-c3cccnc3N3CCN(C(=O)OC(C)(C)C)CC3)cc2[N+](=O)[O-])CC1,OBQWVQPVUSXAKC-UHFFFAOYSA-N
-rxn:4:219909:223532,Cn1cnc(N2CCC(Oc3ccncc3-c3cc(F)cc(CN4CCN(C(=O)OC(C)(C)C)CC4)c3)C2)cc1=O,TUODOOMTOCDBDT-UHFFFAOYSA-N
-rxn:4:219931:224659,CN1CCN(C(=O)c2cccc(-c3cnc(N4CCCN(S(=O)(=O)C5CC5)CC4)nc3)c2)CC1,LDSLBFMLRFNBJY-UHFFFAOYSA-N
-rxn:4:219955:222584,O=C(C1CN(c2ncc(-c3ccc(OCCCN4CCNCC4)c(F)c3)cn2)CCO1)N1CCSCC1,PKCVGOCGRAQZFG-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:4:220204:226713,COCCOc1cc(-c2ccc3ncnc(N4CCOC(C(=O)N5CCOCC5)C4)c3c2)c(F)cn1,YUIIJPFWFPJOIH-UHFFFAOYSA-N
-rxn:4:220226:225089,CCCCCOc1ccc(-c2ccc3nc(N4CCCC(C(=O)N5CCOCC5)C4)ncc3c2)c(F)c1F,FNOXIYHKZKJHHA-UHFFFAOYSA-N
-rxn:4:220268:224484,Cc1cc(C)c(C)c(C2=NON3N(C(=O)c4ccccc4-c4ccccc4C(=O)N(C(C)C)C(C)C)c4ccccc4N23)c1C,WJEVWQSGJSUISS-UHFFFAOYSA-N
-rxn:4:221127:222740,CCOC(=O)C1CCN(c2nc3c(S(=O)(=O)c4ccc(-c5cc(C(C)C)nc(C6CCCNC6)c5)cc4)nnn3c3ccsc23)CC1,SRQMGDMIGCUBKS-UHFFFAOYSA-N
-rxn:4:221127:222741,CCOC(=O)C1CCN(c2nc3c(S(=O)(=O)c4ccc(-c5cc(C6CC6)nc(C6CCCNC6)c5)cc4)nnn3c3ccsc23)CC1,WSHHHXSJAWJTOE-UHFFFAOYSA-N
-rxn:4:221170:223595,CCc1cnc(N2CCCC(COc3ncc(-c4ccc(N5CCN(C(=O)OC(C)(C)C)CC5)c(F)c4)cn3)C2)nc1,QOYJCVZVZRZNCS-UHFFFAOYSA-N
-rxn:4:221173:222634,Cn1nc(C(=O)N2CCCC(COc3ncc(-c4ccc(OCCNC5CCCC5)c(F)c4)cn3)C2)ccc1=O,VLMQWPUWHSIAMJ-UHFFFAOYSA-N
-rxn:4:221173:223787,CN1CCN(CCCOc2ccc(-c3cnc(OCC4CCCN(C(=O)c5ccc(=O)n(C)n5)C4)nc3)cc2F)CC1,NQQMYIHFEOVFIL-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:4:221191:222540,Cc1cc(N2CCCC(COc3ncc(-c4cccc(C(=O)NCCN5CCCCC5)c4)cn3)C2)nc(C2CC2)n1,RRTHXRKFPKOTIZ-UHFFFAOYSA-N
-rxn:4:221198:224959,CC(C)(C)c1ccc(OCC2CCN(c3ncc(-c4ccc(OCC5CCCCO5)cc4)cn3)CC2)nn1,ZRZVUHBLODJQDC-UHFFFAOYSA-N
-rxn:4:221205:222851,CCc1cc(-c2ccc(CCN3CCN(c4ccnc(N5CCOCC5)n4)CC3)cc2)cc(C2CCNCC2)n1,NGEKUGMBBCXXIQ-UHFFFAOYSA-N
-rxn:4:221205:223970,Cc1ccc(-c2ccc(CCN3CCN(c4ccnc(N5CCOCC5)n4)CC3)cc2)cc1S(=O)(=O)N1CCC(C)CC1,RNALMXYJTGQYRN-UHFFFAOYSA-N
-rxn:4:221214:224761,CCN(CC)C(=O)Cn1c(-c2cccc(S(=O)(=O)N3CCCCC3)c2)nc2c1c(=O)n(C)c(=O)n2C,BTVUMAZSPDMXJU-UHFFFAOYSA-N
-rxn:4:221219:222537,COc1cc2ncnc(N3CC(Cn4cc(-c5cc(C6CCCC6)nc(C6CCCNC6)c5)cn4)C3)c2cc1OC,NZCCAPVRMFQUQO-UHFFFAOYSA-N
-rxn:4:221233:223812,Cc1cn2nc(OCC3CCN(C(=O)c4cncc(-c5cc(F)cc(CN6CCC7(CC6)OCCO7)c5)c4)CC3)ccc2n1,CGOUFIUBMVRPJQ-UHFFFAOYSA-N
-rxn:4:221245:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3cncc(C(=O)N4CCC(COc5ccc6nc(C)c(C)n6n5)CC4)c3)cc2)CC1,AUZAKLXWWBYBGH-UNWRIRMBSA-N
-rxn:4:221249:223521,CC(c1cccc(-c2cnn3cc(-c4ccc(N5CCN(C(=O)OC(C)(C)C)CC5)cc4)cnc23)c1)N1CCN(C(=O)OC(C)(C)C)CC1,JQIAEOIBXBLBOC-UHFFFAOYSA-N
-rxn:4:221348:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cnc(OCC4CCCN(c5ncc(F)cn5)C4)nc3)c2Cl)CC1,USNYKSCTGHBUEI-UHFFFAOYSA-N
-rxn:4:221348:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3cnc(OCC4CCCN(c5ncc(F)cn5)C4)nc3)c2)CC1,OYWQBGLZBBXKLE-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:4:221375:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2cnc(OCC3CCCN(c4cc(=O)n(C)cn4)C3)nc2)CC1,KPRHLJCLDWAKTI-UHFFFAOYSA-N
-rxn:4:221387:222546,Cc1ncnc(OCC2CCN(c3ncc(-c4ccc(OCCNC5CCCCC5)c(F)c4)cn3)CC2)c1C,HRBMXEYCUWFLHS-UHFFFAOYSA-N
-rxn:4:221394:223696,O=c1ccc(C2CC2)nn1CC1CCN(c2ncc(-c3ccc(S(=O)(=O)N4CCC5(CC4)OCCO5)cc3)cn2)CC1,ZVAXKZNEQROPPY-UHFFFAOYSA-N
-rxn:4:221404:222465,CN(C)c1nccc(N2CCN(Cc3cccc(-c4cc(C5CCCCC5)nc(C5CCCNC5)c4)c3)CC2)n1,CKFSYVIWJBCKBH-UHFFFAOYSA-N
-rxn:4:221422:223134,O=C(c1cc(-c2cnccc2C2CCCNC2)ccc1Cl)N1CCN(c2ccc(N3CCOCC3)nn2)CC1,BHOALNHSVLHQDT-UHFFFAOYSA-N
-rxn:4:221422:225683,Cc1nc(C2CCCOC2)ccc1-c1ccc(Cl)c(C(=O)N2CCN(c3ccc(N4CCOCC4)nn3)CC2)c1,CGIWSNONLNDJKO-UHFFFAOYSA-N
-rxn:4:221424:222833,CC(C)CCC(=O)Nc1cccc(-c2cccc(CN3CCN(c4ccc(N5CCOCC5)nn4)CC3)c2)c1,VHXUHIYHOSAHIM-UHFFFAOYSA-N
-rxn:4:221440:223832,COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1-c1ccc(S(=O)(=O)N2CCN(c3nc(C)cc(N4CCCC4)n3)CC2)cc1,JIJNGFWYYKZFSZ-UHFFFAOYSA-N
-rxn:4:221441:222628,Cc1cc(N2CCOCC2)nc(N2CCN(Cc3cccc(-c4cc(C5CCC5)nc(C5CCCNC5)c4)c3)CC2)n1,GMYVUUNDZIKTIG-UHFFFAOYSA-N
-rxn:4:221444:222903,COCCNC(=O)c1ccc(-c2ccccc2CN2CCN(c3nc(C)cc(N4CCOCC4)n3)CC2)c(Cl)c1,ICDGJFYESOQXDH-UHFFFAOYSA-N
-rxn:4:221499:223669,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc4ccn(CC(=O)N5CCN(c6ncccn6)CC5)c4c3)cn2)CC1,FWVYCJZAAPTTPO-UHFFFAOYSA-N
-rxn:4:221604:223728,CCCCCC1CCC(c2ccc(-c3ccc(-n4cnnn4)cc3C(=O)N3CCSCC3)c(F)c2)CC1,NUJMEDHUMBZQKV-UHFFFAOYSA-N
-rxn:4:221641:222546,O=c1ccc(C2CC2)nn1C1CCN(c2ncc(-c3ccc(OCCNC4CCCCC4)c(F)c3)cn2)CC1,JNKMIKWNFROOIU-UHFFFAOYSA-N
-rxn:4:221641:222629,CC(C)(C)c1cc(-c2cnc(N3CCC(n4nc(C5CC5)ccc4=O)CC3)nc2)cc(C2CCCNC2)n1,SFXCNKGMRCZUOF-UHFFFAOYSA-N
-rxn:4:221721:223504,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(N4CCC(Cn5cnc6ccccc6c5=O)CC4)nc3)cc2[N+](=O)[O-])CC1,WRJHUAHJMHNMHK-UHFFFAOYSA-N
-rxn:4:221836:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cnc(N2CCCN(C3=NS(=O)(=O)c4ccccc43)CC2)nc1,DNHDDAZUFKWPGO-UHFFFAOYSA-N
-rxn:4:221913:224810,Cn1nnnc1SCC(=O)N1CCC(Oc2ncccc2-c2cnc(N3CCCC3)c(C(F)(F)F)c2)CC1,FMLJHVWOLXEDPM-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:4:221982:224484,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccccc6C(=O)N(C(C)C)C(C)C)cc5)no4)C3C2=O)cc1,ONECSIVGXPOXHD-UHFFFAOYSA-N
-rxn:4:222008:223532,Cc1nnc(CN2CCC(Oc3ncc(-c4cc(F)cc(CN5CCN(C(=O)OC(C)(C)C)CC5)c4)cn3)CC2)n1C,SCKFXHYJNBMLKH-UHFFFAOYSA-N
-rxn:4:222032:222628,CN(C)c1nccc(N2CCN(c3ncc(-c4cc(C5CCC5)nc(C5CCCNC5)c4)cc3C(F)(F)F)CC2)n1,YABUKVVDEMNNMO-UHFFFAOYSA-N
-rxn:4:222032:223062,CN(C)c1nccc(N2CCN(c3ncc(-c4cnc(C5CCNCC5)cc4F)cc3C(F)(F)F)CC2)n1,QRRQVQRFJAPOFQ-UHFFFAOYSA-N
-rxn:4:222046:223834,CCc1c(C)nc(C2CC2)nc1N1CCN(c2ncc(-c3cc(C)c(S(=O)(=O)N4CCN(C)CC4)c(C)c3)cn2)CC1,QEPGWSZORSFILU-UHFFFAOYSA-N
-rxn:4:222056:224330,CC(C)(C)c1cc(N2CCN(c3ncc(-c4ccc(Cl)c(C(=O)N5CCC(=O)CC5)c4)cn3)CC2)nc(C2CC2)n1,QCITZJBJCLCYAL-UHFFFAOYSA-N
-rxn:4:222107:222935,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5cccc(-c6ccc(CNS(=O)(=O)N(C)C)cc6)c5)no4)C3C2=O)cc1F,VLIKDFMYUMXGLU-UHFFFAOYSA-N
-rxn:4:222138:225313,CN1CCN(c2ccc(-c3ccc(N4CCCn5c4nc4c5c(=O)n(CCN5CCOCC5)c(=O)n4C)cc3)c(F)n2)CC1,WXAYSBHKFWITTE-UHFFFAOYSA-N
-rxn:4:222153:223839,COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cnc(N2CCN(c3cc(C(F)F)nc(C)n3)CC2)nc1,VZKWQIDDHHMYBQ-UHFFFAOYSA-N
-rxn:4:222161:223602,Cn1nc(C2CCN(c3ncc(-c4ccnc(N5CCN(C(=O)OC(C)(C)C)CC5)c4Cl)cn3)CC2)n(C2CC2)c1=O,INELMCRXUUXEED-UHFFFAOYSA-N
-rxn:4:222193:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc4c(C(=O)N5Cc6cnc(N7CCOCC7)nc6C5)n(C)nc4c3)c2)CC1,DYRBTNMCSUPEKM-UHFFFAOYSA-N
-rxn:4:222228:223591,CC(C)(C)OC(=O)N1CCN(c2ccc(F)c(-c3ccc4nc(N5CCN(c6ccc7nccn7n6)CC5)sc4c3)c2)CC1,WDFILWYKVOTBAP-UHFFFAOYSA-N
-rxn:4:222331:223532,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)cc(-c3cnc(N4CCN(c5nccc(N6CCOCC6)n5)CC4)nc3)c2)CC1,QIZVWRPPQOZKTK-UHFFFAOYSA-N
-rxn:4:222338:225636,Cc1nc(N2CCOCC2)cc(N2CCN(c3ncc(-c4ccnc(N5CCC(C)CC5)c4)cn3)CC2)n1,WOJWQJOLDXTOLM-UHFFFAOYSA-N
-rxn:4:222370:223529,Cc1nc(N2CCN(c3ncc(-c4ccc(CN5CCN(C(=O)OC(C)(C)C)CC5)c(F)c4)cn3)CC2)cc(-n2cccn2)n1,CHSDNJCJNGEEBF-UHFFFAOYSA-N
-rxn:4:222389:199193,CN1C(=O)c2cc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)ccc2OS1(=O)=O,BELWZVKXGRVOGD-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:4:222523:177756,CC(C)(C)NS(=O)(=O)c1ccc(-c2cc(C(=O)OC(C)(C)C)c(F)cc2F)c(C(F)(F)F)c1,BOOFVWHJOVTDNV-UHFFFAOYSA-N
-rxn:4:222523:178785,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc(F)c(F)c2C(=O)C(F)(F)F)c(C(F)(F)F)c1,NURIYIUQOXKNFW-UHFFFAOYSA-N
-rxn:4:222523:204550,Cc1cc2cnn(C(=O)OC(C)(C)C)c2cc1-c1ccc(S(=O)(=O)NC(C)(C)C)cc1C(F)(F)F,HHFZMPHPHALYMA-UHFFFAOYSA-N
-rxn:4:222543:178369,CC(C)c1cc(C(C)C)c(-c2ccc(C3(NC(=O)OC(C)(C)C)CC3)cc2)c(C(C)C)c1,ZJLBJBIQONPBND-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:4:222680:187474,COc1c(NC(=O)OC(C)(C)C)cccc1-c1ccn([Si](C(C)C)(C(C)C)C(C)C)c1,NFLONOWZXICJEJ-UHFFFAOYSA-N
-rxn:4:222712:185105,CC(C)CS(=O)(=O)C1CN(C(=O)c2ccccc2-c2ccc(NC(=O)OC(C)(C)C)c(F)c2F)C1,CESUTTYQADJODC-UHFFFAOYSA-N
-rxn:4:222784:185493,COC(=O)c1ccc2c(-c3ccc(NC(=O)OC(C)(C)C)c(F)c3)cn(C(=O)OC(C)(C)C)c2c1,OXKXODGAUUKHLI-UHFFFAOYSA-N
-rxn:4:222940:186906,CC(C)(C)NS(=O)(=O)c1cncc(-c2ccc(/C=N/S(=O)C(C)(C)C)cc2C(F)(F)F)c1,RMCDJKGOVPSFNX-KBKYJPHKSA-N
-rxn:4:222942:187081,O=[N+]([O-])c1cc(F)c(OCC2CCCCC2)c(-c2ccc(S(=O)(=O)NC3CC3)c(F)c2)c1,AMEZRBAXSXZOKI-UHFFFAOYSA-N
-rxn:4:222950:185057,CONS(=O)(=O)c1cc(-c2cc(C(F)(F)F)ccc2C(=O)N(C(C)C)C(C)C)ccc1OC,COWFNQIWLRSENA-UHFFFAOYSA-N
-rxn:4:222960:187230,COC(=O)C1CCN(S(=O)(=O)c2ccccc2-c2cc(C)cc(C3CCNCC3)c2)CC1,DEHGRHJYGABUCX-UHFFFAOYSA-N
-rxn:4:223521:199500,COC(=O)C(C(=O)OC(C)(C)C)c1ncc(-c2cccc(C(C)N3CCN(C(=O)OC(C)(C)C)CC3)c2)cn1,ISZNPIAWZSYMBB-UHFFFAOYSA-N
-rxn:4:223581:176123,COC(=O)c1cccc2cc(-c3cc(C(=O)OC(C)(C)C)cc(-c4cc(F)ccc4F)c3)n(C(=O)OC(C)(C)C)c12,DYKOZYZEZUCRNP-UHFFFAOYSA-N
-rxn:4:223581:199796,COC(=O)c1cccc2cc(-c3ccc(Cl)c(C(=O)Oc4c(Sc5ccccc5)c(C)nn4C(C)(C)C)c3)n(C(=O)OC(C)(C)C)c12,NPCXPLFDUJKXSA-UHFFFAOYSA-N
-rxn:4:223641:184396,CCc1cc2c(cc1F)cc(-c1cc(CC(=O)OC)cc(C#N)c1C(F)F)n2C(=O)OC(C)(C)C,FGAUAUMSGFYJCU-UHFFFAOYSA-N
-rxn:4:223670:217047,CC1=NN(c2ccc(-c3cccnc3N3CCN(C(=O)OC(C)(C)C)CC3)cn2)C(=O)C1,PWLRAGMSAIZQPY-UHFFFAOYSA-N
-rxn:5:176860:225833:225834,COC(=O)c1c(-c2ccnc(N3CCCCC3)c2F)ccc(OC)c1-c1cc(N2CCCCC2)ncc1F,MYRHSDUQXSANFR-UHFFFAOYSA-N
-rxn:5:176860:225982:223061,COC(=O)c1c(-c2cnc(N3CCOCC3)cc2F)ccc(OC)c1-c1cc(C2CCNCC2)ncc1F,MBWWNPAWHQPXFC-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:5:177733:226769:225394,COC(=O)c1cc(F)c(F)c(-c2cc(C(=O)OC(C)(C)C)cc(-c3cc(C4CCC4)cc(C4CC4)c3)c2)c1,QFEPERYXLSBMEJ-UHFFFAOYSA-N
-rxn:5:177734:225637:225613,Cc1cc(-c2ccccc2N2CCN(C)CC2)c(-c2ccnc(OC3CCCCC3)c2)cc1C(=O)OC(C)C,IPGSXFBSWQGGAG-UHFFFAOYSA-N
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-rxn:5:177739:223061:225849,CC(C)(C)OC(=O)c1cccc(-c2cc(C3CCNCC3)ncc2F)c1-c1cnc(N2CCCCC2)cc1F,XAVZYRWIRWXNHQ-UHFFFAOYSA-N
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-rxn:5:182009:225832:226064,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2ccc(C3CCCCC3)cc2)cc1C1CCOCC1,GEMONTPWNRSXJT-UHFFFAOYSA-N
-rxn:5:182010:225784:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(C2CCOCC2)c(-c2ccc(CN3CCOCC3)nc2)c1,QTVQOIQVBKTULX-UHFFFAOYSA-N
-rxn:5:182010:226414:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(C2CCOCC2)c(-c2ccc(C3=NCCCO3)cc2)c1,CPLYMYIAORQNRT-UHFFFAOYSA-N
-rxn:5:182010:226686:225683,Cc1cnn(C2CCCCO2)c1-c1cc(-c2ccc(C3CCCOC3)nc2C)ccc1C1CCOCC1,HDLOXZGGMJLYPJ-UHFFFAOYSA-N
-rxn:5:182012:225453:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(-c2cccc(SC3CCCCC3)c2)cc1C1CCCOC1,FDFCUNZPOAFTDE-UHFFFAOYSA-N
-rxn:5:182012:225832:226414,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2ccc(C3=NCCCO3)cc2)c(C2CCCOC2)c1,NZOYFWGJEATTRX-UHFFFAOYSA-N
-rxn:5:182012:226685:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2cnc(C3CCOCC3)nc2)cc1C1CCCOC1,FPYWMHDOAUAYKM-UHFFFAOYSA-N
-rxn:5:182013:225881:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(-c2ccc(C3CCOCC3)nc2F)cc1C1CCOCC1,LUSVPIHKMRTVME-UHFFFAOYSA-N
-rxn:5:188375:225943:225976,COC(=O)Cc1nc(-c2ccnc(N3CCOCC3)c2F)ccc1-c1ccc(C(=O)N2CCOCC2)s1,XMVNUKRNJCSWFJ-UHFFFAOYSA-N
-rxn:5:188376:225804:225943,COC(=O)Cc1cnc(-c2ccc(C(=O)N3CCOCC3)s2)cc1-c1ccc(C(=O)N2CCC2)c(F)c1,CTVWFLNGEMNKEX-UHFFFAOYSA-N
-rxn:5:188787:223000:226663,O=[N+]([O-])c1cc(-c2ccc(C3CCCNC3)c(F)c2)c(-c2ccc(N3CCSCC3)nc2)cc1OC1CC1,RYLCENLUNHLCTQ-UHFFFAOYSA-N
-rxn:5:188874:225449:226661,CON(C)C(=O)c1ccc(-c2cc(N3CCN(C)CC3)cs2)cc1-c1cccc(OC2CCCCC2)c1,VGMRLHVEIJUUII-UHFFFAOYSA-N
-rxn:5:188930:226174:226139,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccc(C3CCCCC3)nc2)cc1-c1cc(C2CC2)cnc1C1CC1,SCIHXLZDDZSXEU-UHFFFAOYSA-N
-rxn:5:188930:226174:226182,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccc(C3CCCCC3)nc2)cc1-c1cccnc1C1CCCCC1,ILKCAPCVAHYWJI-UHFFFAOYSA-N
-rxn:5:188930:226182:226182,COC(=O)c1cc(S(N)(=O)=O)c(-c2cccnc2C2CCCCC2)cc1-c1cccnc1C1CCCCC1,IJMMFUQJFYUNMB-UHFFFAOYSA-N
-rxn:5:188930:226324:226139,COC(=O)c1cc(S(N)(=O)=O)c(-c2cccnc2OC2CCCC2)cc1-c1cc(C2CC2)cnc1C1CC1,OONLECDYAFKEJY-UHFFFAOYSA-N
-rxn:5:188930:226382:227103,COC(=O)c1cc(S(N)(=O)=O)c(-c2cnc(C3CCCCC3)nc2)cc1-c1sccc1C1CCCCC1,KOUVNQKYMXKXIU-UHFFFAOYSA-N
-rxn:5:188930:226382:227119,COC(=O)c1cc(S(N)(=O)=O)c(-c2cnc(C3CCCCC3)nc2)cc1-c1cc(C2CCCCC2)cs1,IYBUZDRTJYFVSW-UHFFFAOYSA-N
-rxn:5:188930:227119:226382,COC(=O)c1cc(S(N)(=O)=O)c(-c2cc(C3CCCCC3)cs2)cc1-c1cnc(C2CCCCC2)nc1,WFBOTRHONWERLK-UHFFFAOYSA-N
-rxn:5:188930:227119:227119,COC(=O)c1cc(S(N)(=O)=O)c(-c2cc(C3CCCCC3)cs2)cc1-c1cc(C2CCCCC2)cs1,OFIXMVFTTCRCHO-UHFFFAOYSA-N
-rxn:5:188932:226182:227449,COC(=O)c1cc(-c2ccc(C3CCOCC3)s2)c(S(N)(=O)=O)c(-c2cccnc2C2CCCCC2)c1,MBFVPAPVDCAVDB-UHFFFAOYSA-N
-rxn:5:188932:227103:223138,COC(=O)c1cc(-c2ccnc(C3CCNCC3)c2)c(S(N)(=O)=O)c(-c2sccc2C2CCCCC2)c1,YDQYYFOUGJEONX-UHFFFAOYSA-N
-rxn:5:188932:227119:226382,COC(=O)c1cc(-c2cnc(C3CCCCC3)nc2)c(S(N)(=O)=O)c(-c2cc(C3CCCCC3)cs2)c1,KJZMZVQRCNIUJM-UHFFFAOYSA-N
-rxn:5:188932:227449:226182,COC(=O)c1cc(-c2ccc(C3CCOCC3)s2)c(S(N)(=O)=O)c(-c2cccnc2C2CCCCC2)c1,MBFVPAPVDCAVDB-UHFFFAOYSA-N
-rxn:5:189001:223007:226767,COC(=O)C1(c2nc(-c3cc(OC)ccc3C(F)(F)F)ccc2-c2cc(F)cc(C3CCNCC3)c2)CC1,ABIUWQGLAPKANI-UHFFFAOYSA-N
-rxn:5:189083:225602:223006,CCN(C)C(=O)c1cccc(-c2cc(C3(C#N)CCC3)ccc2F)c1-c1ccc(F)c(C2CCNCC2)c1,GTEUFAHQHYIIRW-UHFFFAOYSA-N
-rxn:5:189207:227284:227413,N#Cc1cc(-c2ccc(-c3cnc(C4CCC4)cc3F)c(C(=O)ON3C(=O)CCC3=O)c2)c(C2CC2)cn1,MYRFRRVBOSPFCV-UHFFFAOYSA-N
-rxn:5:189208:223002:229014,CC(C)c1ccc(-c2cc(-c3ccc(C4CCNCC4)cc3F)ccc2C(=O)ON2C(=O)CCC2=O)s1,NXGCGKKEIBNPDO-UHFFFAOYSA-N
-rxn:5:189208:223064:223014,COC(=O)c1cccc2[nH]c(-c3cc(-c4ccc(C5CCNCC5)nc4F)ccc3C(=O)ON3C(=O)CCC3=O)cc12,VUVSQEISAMQIRT-UHFFFAOYSA-N
-rxn:5:189208:223065:229081,CN(C)c1ccc(-c2cc(-c3ccc(N4CCNCC4)cc3F)ccc2C(=O)ON2C(=O)CCC2=O)s1,PDJFGQOAPFUEIS-UHFFFAOYSA-N
-rxn:5:189208:229081:223006,CN(C)c1ccc(-c2ccc(C(=O)ON3C(=O)CCC3=O)c(-c3ccc(F)c(C4CCNCC4)c3)c2)s1,JKFAPUAUMPECLT-UHFFFAOYSA-N
-rxn:5:189209:227386:225407,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccc(C3CCCCCC3)cc2)cc(-c2cnn(C3CCCCC3)c2)c1,OQWYJZBEDHJQCF-UHFFFAOYSA-N
-rxn:5:189209:229081:223000,CN(C)c1ccc(-c2cc(C(=O)ON3C(=O)CCC3=O)cc(-c3ccc(C4CCCNC4)c(F)c3)c2)s1,LVNJIGJMEABVIQ-UHFFFAOYSA-N
-rxn:5:189209:229081:223065,CN(C)c1ccc(-c2cc(C(=O)ON3C(=O)CCC3=O)cc(-c3ccc(N4CCNCC4)cc3F)c2)s1,YUDXUOZTOMWHHV-UHFFFAOYSA-N
-rxn:5:189210:223015:223062,COC(=O)c1ccc2[nH]c(-c3cccc(-c4cnc(C5CCNCC5)cc4F)c3C(=O)ON3C(=O)CCC3=O)cc2c1,BTXQEOKDHMYUQR-UHFFFAOYSA-N
-rxn:5:189210:223015:223064,COC(=O)c1ccc2[nH]c(-c3cccc(-c4ccc(C5CCNCC5)nc4F)c3C(=O)ON3C(=O)CCC3=O)cc2c1,XHUUCSUISWNMPZ-UHFFFAOYSA-N
-rxn:5:189210:223138:223014,COC(=O)c1cccc2[nH]c(-c3cccc(-c4ccnc(C5CCNCC5)c4)c3C(=O)ON3C(=O)CCC3=O)cc12,BYNFYGXHTSZEQC-UHFFFAOYSA-N
-rxn:5:189210:229081:223000,CN(C)c1ccc(-c2cccc(-c3ccc(C4CCCNC4)c(F)c3)c2C(=O)ON2C(=O)CCC2=O)s1,VWCAGCCTGALPMB-UHFFFAOYSA-N
-rxn:5:189210:229081:223006,CN(C)c1ccc(-c2cccc(-c3ccc(F)c(C4CCNCC4)c3)c2C(=O)ON2C(=O)CCC2=O)s1,VPHJATHQOZTQNV-UHFFFAOYSA-N
-rxn:5:189210:229081:223065,CN(C)c1ccc(-c2cccc(-c3ccc(N4CCNCC4)cc3F)c2C(=O)ON2C(=O)CCC2=O)s1,OMVPTOQPOIFOHV-UHFFFAOYSA-N
-rxn:5:189212:223000:229081,CN(C)c1ccc(-c2ccc(C(=O)ON3C(=O)CCC3=O)cc2-c2ccc(C3CCCNC3)c(F)c2)s1,HHKPAEXXCWKKSA-UHFFFAOYSA-N
-rxn:5:189212:223006:229081,CN(C)c1ccc(-c2ccc(C(=O)ON3C(=O)CCC3=O)cc2-c2ccc(F)c(C3CCNCC3)c2)s1,OUSSPAKPNQAVMT-UHFFFAOYSA-N
-rxn:5:189212:223014:223064,COC(=O)c1cccc2[nH]c(-c3cc(C(=O)ON4C(=O)CCC4=O)ccc3-c3ccc(C4CCNCC4)nc3F)cc12,SFFYJLJEQGWBLZ-UHFFFAOYSA-N
-rxn:5:189212:223015:223061,COC(=O)c1ccc2[nH]c(-c3cc(C(=O)ON4C(=O)CCC4=O)ccc3-c3cc(C4CCNCC4)ncc3F)cc2c1,OHJYMQBVVIVBSO-UHFFFAOYSA-N
-rxn:5:189212:223062:223015,COC(=O)c1ccc2[nH]c(-c3ccc(C(=O)ON4C(=O)CCC4=O)cc3-c3cnc(C4CCNCC4)cc3F)cc2c1,ZOEUGKCYJQIAIH-UHFFFAOYSA-N
-rxn:5:189212:223065:229081,CN(C)c1ccc(-c2ccc(C(=O)ON3C(=O)CCC3=O)cc2-c2ccc(N3CCNCC3)cc2F)s1,XNOSBUUSWHSQAE-UHFFFAOYSA-N
-rxn:5:189212:227284:227108,N#Cc1cc(-c2cc(C(=O)ON3C(=O)CCC3=O)ccc2-c2cc(C3CCC3)ccc2F)c(C2CC2)cn1,YVVHWFWZEVAEKO-UHFFFAOYSA-N
-rxn:5:189212:227284:227120,N#Cc1cc(-c2cc(C(=O)ON3C(=O)CCC3=O)ccc2-c2ccc(C3CCC3)cc2F)c(C2CC2)cn1,CELICITVQNDTMZ-UHFFFAOYSA-N
-rxn:5:189212:228705:223006,CN(C)c1ncccc1-c1cc(C(=O)ON2C(=O)CCC2=O)ccc1-c1ccc(F)c(C2CCNCC2)c1,VYIVFSCZTIBHOS-UHFFFAOYSA-N
-rxn:5:189212:229081:223000,CN(C)c1ccc(-c2cc(C(=O)ON3C(=O)CCC3=O)ccc2-c2ccc(C3CCCNC3)c(F)c2)s1,DUMZLAASSQDNKH-UHFFFAOYSA-N
-rxn:5:189212:229081:223006,CN(C)c1ccc(-c2cc(C(=O)ON3C(=O)CCC3=O)ccc2-c2ccc(F)c(C3CCNCC3)c2)s1,PBULLFNCLWHBFE-UHFFFAOYSA-N
-rxn:5:189212:229081:223065,CN(C)c1ccc(-c2cc(C(=O)ON3C(=O)CCC3=O)ccc2-c2ccc(N3CCNCC3)cc2F)s1,PFWIDTHSYNMQCY-UHFFFAOYSA-N
-rxn:5:189323:225980:223065,CC(C)(C)OC(=O)c1cc(-c2ccc(N3CCNCC3)cc2F)ncc1-c1cc(N2CCOCC2)ncc1F,SJBLKNSZGHOJSA-UHFFFAOYSA-N
-rxn:5:189336:227657:222993,CN(C(=O)c1ccc(-c2ccc(N3CCOCC3)s2)c(-c2cccc(N3CCCCC3O)c2)c1)C1CC1,UJSABAOJMLDTSD-UHFFFAOYSA-N
-rxn:5:189539:226758:225798,COc1ccc(-c2cccc(C(=O)N(C)C(C)C)c2-c2ccc(OC3CCOCC3)nc2)cc1C(F)(F)F,CWYGIGFQGBMCCI-UHFFFAOYSA-N
-rxn:5:189540:226662:225874,COC1CN(Cc2cc(-c3ccc(N4CCN(C)CC4)s3)ccc2-c2ccc(F)c(N3CCOCC3)c2)C1,YVTUWAZCJMUUDX-UHFFFAOYSA-N
-rxn:5:189664:226876:226345,COC(=O)c1cc(-c2cc(-c3ccc(F)cc3OC(F)(F)F)ccc2CC(=O)N2CCCC2)c(C)cc1C,FIJXYSWZVHYVOS-UHFFFAOYSA-N
-rxn:5:189672:225824:226332,CC(C)(C)S(=O)/N=C/c1cccc(-c2cc(C3CC3)cc(C(F)(F)F)c2)c1-c1ccccc1C(=O)N1CCC1,WPDSNJGAALJTAI-XZYGTATASA-N
-rxn:5:189673:227520:225812,Cc1cc(-c2cc(-c3cnc(OC(C)C)cc3F)ccc2/C=N/S(=O)C(C)(C)C)c(F)c(OC(C)C)c1F,YVBHBPFPAYJQDG-HBHSWBPBSA-N
-rxn:5:189718:227437:223173,O=[N+]([O-])c1cc(-c2ccc3c(c2)C(O)CS3(=O)=O)c(-c2ccnc(C3CCCO3)c2)cc1OC1CCOCC1,SRNFPCHXZSANKH-UHFFFAOYSA-N
-rxn:5:189826:225435:227788,O=C(Cc1ccc(-c2cc(C(F)(F)F)cnc2F)cc1-c1ccccc1CN1CCCCC1)N1CCOCC1,OTWVCCOQMNBILD-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:5:190001:223061:226974,CC1(C)OCc2cc(-c3ccc(CC(=O)N4CCCCC4)cc3-c3cc(C4CCNCC4)ncc3F)ccc21,DIPOQCKGCMGOGR-UHFFFAOYSA-N
-rxn:5:190001:226771:225880,COC(=O)c1cc(F)c(F)cc1-c1cc(CC(=O)N2CCCCC2)ccc1-c1cc(C2CCOCC2)ncc1F,UDCQJRHTBNBMIC-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:5:190127:228109:226333,CCc1cc(-c2ccc(-c3cccc(C(=O)N4CCC4)c3)c(C(=O)N3CCC(OC)CC3)c2)cc(C#N)n1,RQCWMGJOPDFRPX-UHFFFAOYSA-N
-rxn:5:190128:226141:227057,COc1cccc(-c2cc(C(=O)N3CCC(OC)CC3)ccc2-c2ccccc2OC2CCCC2)c1C1CC1,VPEWYOOSLGIKEJ-UHFFFAOYSA-N
-rxn:5:190131:226748:223008,COc1cc(C(F)(F)F)ccc1-c1cc(C(=O)N2CCCCC2)cc(-c2cc(C3CCNCC3)ccc2F)c1OC,GAJFCVSNUZHNLN-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:5:190195:226571:223113,CN(Cc1ccc(-c2cnn(CC3CCOCC3)c2)c(-c2ccc3c(c2)C(C)(C)C(=O)N3)c1)C1CCOCC1,KWFVRFWTBSJCGX-UHFFFAOYSA-N
-rxn:5:190195:226582:227359,COC(=O)c1cccc(-c2cc(CN(C)C3CCOCC3)ccc2-c2ccc(C(=O)N(C)C)cc2F)c1C,LUERNJNQXXCNGZ-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:5:190196:223063:228361,CN(C)c1cc(-c2cc(-c3cc(F)nc(C4CCNCC4)c3)ccc2CN(C)C2CCOCC2)c(F)cn1,RCHJYIJAOIRVTM-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:5:190197:226571:223113,CN(Cc1ccc(-c2ccc3c(c2)C(C)(C)C(=O)N3)cc1-c1cnn(CC2CCOCC2)c1)C1CCOCC1,LOAORCJVDITEFY-UHFFFAOYSA-N
-rxn:5:190198:223063:228361,CN(C)c1cc(-c2cccc(-c3cc(F)nc(C4CCNCC4)c3)c2CN(C)C2CCOCC2)c(F)cn1,DEHBXARPNYZDKG-UHFFFAOYSA-N
-rxn:5:190199:223113:226364,CN(Cc1cc(-c2ccc(N3CCCCC3)nc2)ccc1-c1ccc2c(c1)C(C)(C)C(=O)N2)C1CCOCC1,AYYIRLGAYUWVRB-UHFFFAOYSA-N
-rxn:5:190199:226364:223113,CN(Cc1cc(-c2ccc3c(c2)C(C)(C)C(=O)N3)ccc1-c1ccc(N2CCCCC2)nc1)C1CCOCC1,ZXYAJHSRMZJISQ-UHFFFAOYSA-N
-rxn:5:190199:228361:223063,CN(C)c1cc(-c2ccc(-c3cc(F)nc(C4CCNCC4)c3)cc2CN(C)C2CCOCC2)c(F)cn1,DKCYCKFUXGAXNV-UHFFFAOYSA-N
-rxn:5:190200:223063:228363,CN(C)c1cc(F)c(-c2cc(CN(C)C3CCOCC3)cc(-c3cc(F)nc(C4CCNCC4)c3)c2)cn1,PQPWJXJKVFLJRL-UHFFFAOYSA-N
-rxn:5:190307:225886:225498,CC1CCN(CCc2cc(-c3ccc4c(ccn4S(C)(=O)=O)c3)ccc2-c2cc(C3CCCCC3)ccc2F)CC1,HPCFDUYQZIQQEZ-UHFFFAOYSA-N
-rxn:5:190308:225804:227666,CC(=O)c1ccc(-c2ccc(-c3ccc(C(=O)N4CCC4)c(F)c3)cc2CCN2CCCC(C)C2)c(F)c1F,HWQOOJWFWLNWAS-UHFFFAOYSA-N
-rxn:5:190335:225818:229232,CCc1ncsc1-c1cc(C(=O)N2CCCCC2C)cc(-c2ccc(C(F)(F)F)cc2C2CC2)c1OC,QYQVBZHMDZNKIP-UHFFFAOYSA-N
-rxn:5:190336:228177:227052,COCc1ccc(F)cc1-c1cc(C(=O)N2CCCC(C)C2)cc(-c2ccc(SC(C)(C)C)cc2)c1OC,QYIFGSXEEGLXNH-UHFFFAOYSA-N
-rxn:5:190484:226062:228227,CC(C)c1cc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4ccc(C(C)C)nc4F)S(=O)(=O)CC3)c2)cc(C(C)C)c1,SAMURBZPUJMIBQ-UHFFFAOYSA-N
-rxn:5:190484:227872:227495,CCN(C)c1cc(-c2ccccc2C2CCN(C(=O)c3cccc(-c4ccc5c(c4)CCC5=O)c3)CCS2(=O)=O)c(F)cn1,QZCCEVLJJWYOIU-UHFFFAOYSA-N
-rxn:5:190484:227978:227409,CC(C)c1ccc(F)c(-c2cccc(C(=O)N3CCC(c4ccccc4-c4cc(C(C)(C)C)ncc4F)S(=O)(=O)CC3)c2)c1,LXNFSCBXIARWFL-UHFFFAOYSA-N
-rxn:5:190680:226031:223190,CNS(=O)(=O)c1ccc(F)cc1-c1c(-c2ccc(C(F)(F)F)cc2C(F)F)ccc2c1c(OC(C)=O)cn2C(C)=O,GAUPTKRLRFSIGE-UHFFFAOYSA-N
-rxn:5:190680:226033:226741,COc1cc(-c2ccc3c(c(OC(C)=O)cn3C(C)=O)c2-c2cc(C(F)(F)F)ccc2C#N)cc(C(F)(F)F)c1F,NGBALFCVCOXZCW-UHFFFAOYSA-N
-rxn:5:190681:226042:226180,CC(=O)Oc1cn(C(C)=O)c2cc(-c3cc(C)nc(C4CCCC4)c3)c(-c3ccc([N+](=O)[O-])cc3C(F)(F)F)cc12,IJIKJCMJDZPXIQ-UHFFFAOYSA-N
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-rxn:5:190741:225655:225833,CCOC(=O)c1cnc2c(-c3cncc(N4CCC(C)CC4)c3)cc(C)cc2c1-c1ccnc(N2CCCCC2)c1F,RBKMHEQGGHPKAC-UHFFFAOYSA-N
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-rxn:5:190742:225633:225976,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(N4CCCCCC4)nc3)c2c1-c1ccnc(N2CCOCC2)c1F,XCVSAOTWRXRTDN-UHFFFAOYSA-N
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-rxn:5:190743:225655:223061,CCOC(=O)c1cnc2c(C)c(-c3cncc(N4CCC(C)CC4)c3)ccc2c1-c1cc(C2CCNCC2)ncc1F,OJXPHYQYNSCBIA-UHFFFAOYSA-N
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-rxn:5:190799:225451:226150,CC(C)(C)OC(=O)n1ccc2c(-c3ccc(SC4CCCCC4)cc3)c(-c3cccc(SC4CCCC4)c3)ccc21,JRFJMBIHGPTATA-UHFFFAOYSA-N
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-rxn:5:190833:228435:227045,CSc1ccc(F)c(F)c1-c1ccc(-c2cccc(SC(C)(C)C)c2)c2c1C(=O)N(C(=O)OC(C)(C)C)C2,PEZMWIDUGAOLSW-UHFFFAOYSA-N
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-rxn:5:190859:226914:227052,Cc1cc(CC(C)C)ccc1-c1ccc2c(c1-c1ccc(SC(C)(C)C)cc1)CCN2C(=O)OC(C)(C)C,CESINMBYFMQAQF-UHFFFAOYSA-N
-rxn:5:190859:227047:226907,CC(C)(C)OC(=O)N1CCc2c1ccc(-c1cccc(SC3CCC3)c1)c2-c1cccc2c1CCC21CC1,OSELBRXWLBRYQN-UHFFFAOYSA-N
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-rxn:5:190998:225849:225833,COC(=O)c1cc(-c2ccnc(N3CCCCC3)c2F)ccc1N1Cc2cc(-c3cnc(N4CCCCC4)cc3F)ccc2OCC1=O,JKMTXHMVSWRVNT-UHFFFAOYSA-N
-rxn:5:190998:226664:228712,COC(=O)c1cc(-c2ccnn2C2CCC2)ccc1N1Cc2cc(-c3cc(N4CCCC4)ncc3F)ccc2OCC1=O,JRJYKCJVMKJGHD-UHFFFAOYSA-N
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-rxn:5:191026:226876:226783,COC(=O)C1=CN(c2ccc(C)c(-c3c(OC)cc(F)c(F)c3OC)c2)c2cc(-c3ccc(F)cc3OC(F)(F)F)ccc2S1(=O)=O,ZTXFALOVBHVRKX-UHFFFAOYSA-N
-rxn:5:191049:223061:226679,COc1cc(N2Cc3cc(-c4cc(C5CCNCC5)ncc4F)ccc3OCC2=O)c(OC)cc1-c1cnc(N2CCCC2)cc1F,UOCRGKUESZGPMP-UHFFFAOYSA-N
-rxn:5:193225:225938:225446,Cc1cc(OC2CCCC2)cc(-c2ccc(-c3cc(C(F)(F)F)ncc3C3CC3)cc2C(=O)N2CCOCC2)c1,DAGQDIPYIBJCCZ-UHFFFAOYSA-N
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-rxn:5:193226:225976:225655,CC1CCN(c2cncc(-c3cc(C(=O)N4CCOCC4)ccc3-c3ccnc(N4CCOCC4)c3F)c2)CC1,FFUGHFZTIXAEBV-UHFFFAOYSA-N
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-rxn:5:193382:222988:227432,Cc1cc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3ccc(C4COC4)nc3C)c2)cc(C2CCNCC2)n1,SEUWAURFPCADLW-UHFFFAOYSA-N
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-rxn:5:193382:223001:228872,COC(=O)c1sccc1-c1cc(-c2cc(C3CCCNC3)ccc2F)ccc1S(=O)(=O)N1CCOCC1,CXTYAFBBHDWEPL-UHFFFAOYSA-N
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-rxn:5:193756:226438:225671,CC1CCCCN1C(=O)c1ccc(-c2cnc(C3CCCC3)cc2F)cc1-c1cc(C2CCCCC2)ncc1F,BABKWTMYKQJYMO-UHFFFAOYSA-N
-rxn:5:193756:226588:226438,CC1CCCCN1C(=O)c1ccc(-c2cc(OC3CCC3)ncc2F)cc1-c1cnc(C2CCCC2)cc1F,WRFQOGIYEGZUOB-UHFFFAOYSA-N
-rxn:5:193756:226611:227521,CCc1ccc(C(F)(F)F)cc1-c1ccc(C(=O)N2CCCCC2C)c(-c2cc(C(=O)OC)cnc2C)c1,WFPAMLFWOCFQMU-UHFFFAOYSA-N
-rxn:5:193756:226679:227408,CC1CCCCN1C(=O)c1ccc(-c2cnc(N3CCCC3)cc2F)cc1-c1cc(C2CCC2)ncc1F,HDAADFOBGNDJGH-UHFFFAOYSA-N
-rxn:5:193756:226779:225671,CC1CCCCN1C(=O)c1ccc(-c2ccc(C(=O)C(F)(F)F)cc2)cc1-c1cc(C2CCCCC2)ncc1F,MNUGLZPFIRBMAH-UHFFFAOYSA-N
-rxn:5:193756:226842:226177,CC1CCCCN1C(=O)c1ccc(-c2cncc(C(=O)C(F)(F)F)c2)cc1-c1ccnc(C2CCCCC2)c1,LDPVMGDIGYQCLY-UHFFFAOYSA-N
-rxn:5:193756:226843:227702,COC(=O)c1cnc(F)c(-c2cc(-c3ccc(C(=O)C(F)(F)F)nc3)ccc2C(=O)N2CCCCC2C)c1,VGDNAVMGPDJSMY-UHFFFAOYSA-N
-rxn:5:193756:226844:226611,CCc1ccc(C(F)(F)F)cc1-c1cc(-c2ccnc(C(=O)C(F)(F)F)c2)ccc1C(=O)N1CCCCC1C,PCMDTAHYWLWYNP-UHFFFAOYSA-N
-rxn:5:193756:227089:225833,CC1CCCCN1C(=O)c1ccc(-c2ccncc2C2CCCC2)cc1-c1ccnc(N2CCCCC2)c1F,ILANHPKMQHFCEY-UHFFFAOYSA-N
-rxn:5:193756:227089:225938,CC1CCCCN1C(=O)c1ccc(-c2ccncc2C2CCCC2)cc1-c1cc(C(F)(F)F)ncc1C1CC1,RZNSQHDPUGXNBC-UHFFFAOYSA-N
-rxn:5:193756:227089:226437,CC1CCCCN1C(=O)c1ccc(-c2ccncc2C2CCCC2)cc1-c1cc(C2CCCC2)ncc1F,IKJVKOJNBRXSSW-UHFFFAOYSA-N
-rxn:5:193756:227089:226844,CC1CCCCN1C(=O)c1ccc(-c2ccncc2C2CCCC2)cc1-c1ccnc(C(=O)C(F)(F)F)c1,AIKGRVUJDMYZDP-UHFFFAOYSA-N
-rxn:5:193756:227377:225833,CC1CCCCN1C(=O)c1ccc(-c2cncnc2C2CCCC2)cc1-c1ccnc(N2CCCCC2)c1F,NUZJOGJTQNVAOJ-UHFFFAOYSA-N
-rxn:5:193756:227387:225818,CC1CCCCN1C(=O)c1ccc(-c2ccnc(N3CCCC3)c2)cc1-c1ccc(C(F)(F)F)cc1C1CC1,XZJHAZYZXSGLPR-UHFFFAOYSA-N
-rxn:5:193756:227512:226849,COC(=O)c1cc(-c2ccc(C(=O)N3CCCCC3C)c(-c3ccnc(OC)c3C(F)(F)F)c2)c(C)cn1,NVLHYVZBHGMUHB-UHFFFAOYSA-N
-rxn:5:193756:227519:226611,CCc1ccc(C(F)(F)F)cc1-c1cc(-c2cnc(C(=O)OC)cc2C)ccc1C(=O)N1CCCCC1C,JPDNYQAIIANFBZ-UHFFFAOYSA-N
-rxn:5:193756:227521:225640,COC(=O)c1cnc(C)c(-c2ccc(C(=O)N3CCCCC3C)c(-c3ccnc(N4CCCCC4C)c3)c2)c1,YQHPGQMTDQBCSV-UHFFFAOYSA-N
-rxn:5:193756:227960:222981,CC1CCCCN1C(=O)c1ccc(-c2ccncc2C2CCC2)cc1-c1ccnc(NC2CCCCC2)c1,WLIORKWXOVSUEY-UHFFFAOYSA-N
-rxn:5:193756:228218:225641,CC1CCCN(c2cc(-c3cc(-c4cc(C5CC5)ncc4F)ccc3C(=O)N3CCCCC3C)ccn2)C1,HGPQUACNJNIREO-UHFFFAOYSA-N
-rxn:5:193756:228236:225641,CC1CCCN(c2cc(-c3cc(-c4ccnc(F)c4C4CC4)ccc3C(=O)N3CCCCC3C)ccn2)C1,BHLVGRUNOVEHSZ-UHFFFAOYSA-N
-rxn:5:193807:227303:223058,CC1CCN(Cc2cccc(-c3cc(F)nc(C4CCCNC4)c3)c2-c2cccc(CN(C)C)c2F)CC1,ZSSDYDHQRMUGPJ-UHFFFAOYSA-N
-rxn:5:193808:223058:227303,CC1CCN(Cc2cc(-c3cc(F)nc(C4CCCNC4)c3)ccc2-c2cccc(CN(C)C)c2F)CC1,LWELETICXGSMNB-UHFFFAOYSA-N
-rxn:5:193809:223058:227303,CC1CCN(Cc2ccc(-c3cc(F)nc(C4CCCNC4)c3)cc2-c2cccc(CN(C)C)c2F)CC1,PPIXJPJJPOGGPE-UHFFFAOYSA-N
-rxn:5:193868:227076:227735,CCC(C)c1ccc(F)c(-c2ccc(-c3cnc(C)c(C(F)(F)F)c3)c(C(=O)N3CC(C)OC(C)C3)c2)c1,CZZCFNNBLIPEDA-UHFFFAOYSA-N
-rxn:5:193869:227872:222957,Cc1cc(-c2cc(S(=O)(=O)N3CCCCC3)c(-c3ccc4c(c3)CCC4=O)cc2C)cc(C2CCCNC2)c1,ALZITVMOZPCYFV-UHFFFAOYSA-N
-rxn:5:193870:228872:223144,COC(=O)c1sccc1-c1cc(-c2ccc(N3CCC(O)C3)cc2)c(S(=O)(=O)N2CCCCC2)cc1C,ZLKXPVLBIZGZRT-UHFFFAOYSA-N
-rxn:5:193871:226346:225886,Cc1cc(OC(C)C)c(F)c(-c2cc(C(=O)N3CCC4(CC3)CC4)ccc2-c2ccc3c(ccn3S(C)(=O)=O)c2)c1,SLAFIRKVFNBCKL-UHFFFAOYSA-N
-rxn:5:194058:225514:225943,O=C(c1ccc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2cccc3c2OCC2(CC2)CO3)s1)N1CCOCC1,IIZJVUJARBMSTQ-UHFFFAOYSA-M
-rxn:5:194058:225798:225943,O=C(c1ccc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2ccc(OC3CCOCC3)nc2)s1)N1CCOCC1,VVGSDSGDMUVUBF-UHFFFAOYSA-M
-rxn:5:194058:225943:225514,O=C(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2cccc3c2OCC2(CC2)CO3)s1)N1CCOCC1,KWFHTQAJDHVIHB-UHFFFAOYSA-M
-rxn:5:194522:226661:223065,CC(C)CN1CCc2c1ccc(-c1cc(N3CCN(C)CC3)cs1)c2-c1ccc(N2CCNCC2)cc1F,CJYYQSQRGTUENO-UHFFFAOYSA-N
-rxn:5:194522:226662:223065,CC(C)CN1CCc2c1ccc(-c1ccc(N3CCN(C)CC3)s1)c2-c1ccc(N2CCNCC2)cc1F,FCGFPVPVMDJJPF-UHFFFAOYSA-N
-rxn:5:194561:226069:226861,O=C(c1cc(-c2cccc(C3CCCCC3)c2)ccc1-c1ccc(OC(F)(F)F)c(F)c1)N1C2CCC1COC2,XFGHTMVKVGDFST-UHFFFAOYSA-N
-rxn:5:194561:228348:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2ccc(N(C)C)nc2F)cc1C(=O)N1C2CCC1COC2,HZBXRPCMJKOICL-UHFFFAOYSA-N
-rxn:5:194688:225946:227390,COc1cc(-c2ccnn2C2CCCCC2)cc2c1OCC(=O)N(c1ccc(-c3cc(C(C)=O)cc(C(F)(F)F)c3)cc1)C2,PDLSDEDCBVVBEQ-UHFFFAOYSA-N
-rxn:5:194688:227379:225980,COc1cc(-c2cc(N3CCOCC3)ncc2F)cc2c1OCC(=O)N(c1ccc(-c3cccnc3N3CCCC3)cc1)C2,KHUPPXOXNUWCHD-UHFFFAOYSA-N
-rxn:5:194733:222987:225623,Cc1nc(C2CCNCC2)ccc1-c1ccc(-c2cccc(OC3CCOCC3)c2)c(C(=O)N2C3CCC2CC(=C2CC2)C3)c1,RCSDJNYGCOBKLL-UHFFFAOYSA-N
-rxn:5:194733:227045:222982,CC(C)(C)Sc1cccc(-c2ccc(-c3ccc(CN4CC[C@@H](O)C4)cc3)c(C(=O)N3C4CCC3CC(=C3CC3)C4)c2)c1,CLYQFKDSJWLYJD-OXLCSVRNSA-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
-rxn:5:194733:227748:226573,Cc1nc(OC(C)(C)C)ncc1-c1ccc(-c2ccc(F)c(C(F)(F)F)c2)cc1C(=O)N1C2CCC1CC(=C1CC1)C2,OAAZULQBIQUYRC-UHFFFAOYSA-N
-rxn:5:194767:225833:226644,O=C1OC2(CCCN(C(=O)c3cc(-c4ccnc(N5CCCCC5)c4F)ccc3-c3cncc(N4CCOCC4)c3)C2)c2ccccc21,JQXRQPYXCXWEDS-UHFFFAOYSA-N
-rxn:5:194767:226366:226426,CC1CCN(c2ccc(-c3ccc(-c4ccnc(N5CCCCC5)c4)cc3C(=O)N3CCCC4(C3)OC(=O)c3ccccc34)s2)CC1,FEXUZHGBLXYCMA-UHFFFAOYSA-N
-rxn:5:194791:227374:226840,N#Cc1cc(-c2ccc(C3OC4(C(=O)c5ccccc5C4=O)C4C(=O)N(c5ccccc5-c5ccc(-n6cccn6)cc5)C(=O)C34)cc2)cc(C(F)(F)F)n1,GHZXHJGCUDTIKH-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
-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:5:196408:225832:223186,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2cnn(C3CCCCO3)c2)ccc1C1=NOCCO1,KUHAPYHZIRGWCW-UHFFFAOYSA-N
-rxn:5:196791:223141:225834,O=C1COCCN1c1cccc(-c2cncc(C3CCNCC3)c2)c1-c1cc(N2CCCCC2)ncc1F,QSCKVMFSZVTAIY-UHFFFAOYSA-N
-rxn:5:196871:226686:225407,Cc1cnn(C2CCCCO2)c1-c1ccc(-c2ccc(C3CCCCCC3)cc2)cc1N1CCOCC1,PLVWSNFCVBPLGK-UHFFFAOYSA-N
-rxn:5:196873:225976:223064,Fc1nc(C2CCNCC2)ccc1-c1cc(N2CCOCC2)ccc1-c1ccnc(N2CCOCC2)c1F,JVSWWBGNHMOUQJ-UHFFFAOYSA-N
-rxn:5:196969:225810:225986,COc1ccc(-c2cnc(C3CCCCC3)cc2-c2ccccc2N2CCCS2(=O)=O)c(C2OCCO2)c1,RABJHIUILKLLPG-UHFFFAOYSA-N
-rxn:5:196969:225832:223146,Cc1nn(C2CCCCO2)c(C)c1-c1cnc(C2CCCCC2)cc1-c1cccc(C2CNCCO2)c1,BZJAORPVORMHNB-UHFFFAOYSA-N
-rxn:5:196970:223141:225832,Cc1nn(C2CCCCO2)c(C)c1-c1nccc(C2CCCCC2)c1-c1cncc(C2CCNCC2)c1,MKJBRNONUSBYKW-UHFFFAOYSA-N
-rxn:5:196970:225986:225810,COc1ccc(-c2nccc(C3CCCCC3)c2-c2ccccc2N2CCCS2(=O)=O)c(C2OCCO2)c1,QMNNNOCOSZHESK-UHFFFAOYSA-N
-rxn:5:196978:223138:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2ccnc(C3CCNCC3)c2)ccc1N1CCCCC1,MYMNQNYWHAJTPB-UHFFFAOYSA-N
-rxn:5:197876:223189:226914,Cc1cc(CC(C)C)ccc1-c1cc2c(cc1-c1ccc(NS(C)(=O)=O)cc1F)S(=O)(=O)N(C(C)(C)C)C2=O,FKXMFJCFRZGQIV-UHFFFAOYSA-N
-rxn:5:197876:223189:227820,CC(C)(C)c1ccc(-c2cc3c(cc2-c2ccc(NS(C)(=O)=O)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1,NTVPHJUPXFEWEP-UHFFFAOYSA-N
-rxn:5:197876:225395:228791,CSc1ccc(-c2cc3c(cc2-c2cc(C4CC4)cc(C(C)(C)C)c2)S(=O)(=O)N(C(C)(C)C)C3=O)c(F)c1,XKPXVFYLODPEKB-UHFFFAOYSA-N
-rxn:5:197876:225466:228929,CC1CCCCN1c1ccc(-c2cc3c(cc2-c2cncc(C(F)F)c2)C(=O)N(C(C)(C)C)S3(=O)=O)cc1,ADINBRYZLRFVLO-UHFFFAOYSA-N
-rxn:5:197876:225498:226917,Cc1cc(-c2cc3c(cc2-c2cc(C4CCCCC4)ccc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc(C(C)(C)C)c1,UJYYQIOQRABHFB-UHFFFAOYSA-N
-rxn:5:197876:225498:228574,Cc1ccc(-c2cc3c(cc2-c2cc(C4CCCCC4)ccc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c(C#N)c1,GSGPLILZAZAEEL-UHFFFAOYSA-N
-rxn:5:197876:225499:227955,Cc1cnc(C(C)C)c(-c2cc3c(cc2-c2ccc(C4CCCCC4)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,SZFJZVDTDKZVPP-UHFFFAOYSA-N
-rxn:5:197876:225602:226341,COc1cc(F)c(C(C)C)cc1-c1cc2c(cc1-c1cc(C3(C#N)CCC3)ccc1F)S(=O)(=O)N(C(C)(C)C)C2=O,BIRQIKIEGFTISM-UHFFFAOYSA-N
-rxn:5:197876:225602:227922,CCc1cc(OC)ccc1-c1cc2c(cc1-c1cc(C3(C#N)CCC3)ccc1F)S(=O)(=O)N(C(C)(C)C)C2=O,VAYHIBZTFMPMBR-UHFFFAOYSA-N
-rxn:5:197876:225603:226922,Cc1cc(C2CC2)cc(C)c1-c1cc2c(cc1-c1cccc(C3(C#N)CCC3)c1F)S(=O)(=O)N(C(C)(C)C)C2=O,MUCMVPYNDQATNY-UHFFFAOYSA-N
-rxn:5:197876:225603:227943,Cc1ccc(N(C)C)c(-c2cc3c(cc2-c2cccc(C4(C#N)CCC4)c2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,OYWMSVAOFBFRRQ-UHFFFAOYSA-N
-rxn:5:197876:225603:228589,CC(C)c1ccc(-c2cc3c(cc2-c2cccc(C4(C#N)CCC4)c2F)S(=O)(=O)N(C(C)(C)C)C3=O)cn1,LFGDFXCEQWJQAM-UHFFFAOYSA-N
-rxn:5:197876:225603:228622,CCc1cc(F)ccc1-c1cc2c(cc1-c1cccc(C3(C#N)CCC3)c1F)S(=O)(=O)N(C(C)(C)C)C2=O,RGVIMHBXIAPWOE-UHFFFAOYSA-N
-rxn:5:197876:225679:227817,CC(C)Cc1ccccc1-c1cc2c(cc1-c1ccc(N3CCCCC3)cc1F)S(=O)(=O)N(C(C)(C)C)C2=O,XQVHJCVUHNGGBT-UHFFFAOYSA-N
-rxn:5:197876:225815:227823,CC(C)(C)c1ccccc1-c1cc2c(cc1-c1ccc(C3CC3)cc1C(F)(F)F)S(=O)(=O)N(C(C)(C)C)C2=O,APBDKGSZFXXAMP-UHFFFAOYSA-N
-rxn:5:197876:225815:227833,CCc1cc(C)cc(C)c1-c1cc2c(cc1-c1ccc(C3CC3)cc1C(F)(F)F)S(=O)(=O)N(C(C)(C)C)C2=O,JNPMZTMGJZQKMG-UHFFFAOYSA-N
-rxn:5:197876:225815:227957,Cc1nc(C(C)C)ccc1-c1cc2c(cc1-c1ccc(C3CC3)cc1C(F)(F)F)S(=O)(=O)N(C(C)(C)C)C2=O,RZIBAQNTMKCACT-UHFFFAOYSA-N
-rxn:5:197876:225823:226079,CC(C)c1cc(-c2cc3c(cc2-c2cc4cc(C(C)C)ccc4s2)C(=O)N(C(C)(C)C)S3(=O)=O)cc(C(F)(F)F)c1,NBKXTUWOWBMUMC-UHFFFAOYSA-N
-rxn:5:197876:225936:226920,Cc1ccc(C(C)(C)C)cc1-c1cc2c(cc1-c1cc(C(F)(F)F)cnc1C(C)C)S(=O)(=O)N(C(C)(C)C)C2=O,PPCJKIFZRMCPKC-UHFFFAOYSA-N
-rxn:5:197876:225936:227975,CC(C)c1ncc(C(F)(F)F)cc1-c1cc2c(cc1-c1cccc([Si](C)(C)C)c1)C(=O)N(C(C)(C)C)S2(=O)=O,KGRYVTCISMJBDS-UHFFFAOYSA-N
-rxn:5:197876:225946:228621,CSc1cc(C)ccc1-c1cc2c(cc1-c1cc(C(C)=O)cc(C(F)(F)F)c1)S(=O)(=O)N(C(C)(C)C)C2=O,HEYXKANZGNPUPU-UHFFFAOYSA-N
-rxn:5:197876:226031:228263,CC(F)(F)c1ccc(-c2cc3c(cc2-c2ccc(C(F)(F)F)cc2C(F)F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1,HOLMRINLRNCIFL-UHFFFAOYSA-N
-rxn:5:197876:226031:228586,CC(C)c1ncccc1-c1cc2c(cc1-c1ccc(C(F)(F)F)cc1C(F)F)S(=O)(=O)N(C(C)(C)C)C2=O,LLLGLEVHIYZQFO-UHFFFAOYSA-N
-rxn:5:197876:226031:228700,CN(C)c1ccc(-c2cc3c(cc2-c2ccc(C(F)(F)F)cc2C(F)F)S(=O)(=O)N(C(C)(C)C)C3=O)cn1,BICDQQGZNRRKPT-UHFFFAOYSA-N
-rxn:5:197876:226058:227065,CC(C)C(=O)c1cccc(-c2cc3c(cc2-c2c(C(C)C)cccc2C(C)C)S(=O)(=O)N(C(C)(C)C)C3=O)c1,IQSCNWVQUUQDSR-UHFFFAOYSA-N
-rxn:5:197876:226058:227415,CC(C)c1cccc(C(C)C)c1-c1cc2c(cc1-c1ccc(C(C)(C)C)nc1F)C(=O)N(C(C)(C)C)S2(=O)=O,NVGAADKWDWAMDN-UHFFFAOYSA-N
-rxn:5:197876:226059:228445,CC(C)c1ccc(-c2cc3c(cc2-c2c(F)cccc2C(F)F)C(=O)N(C(C)(C)C)S3(=O)=O)c(C(C)C)c1,PRZIAMJZIQPVTO-UHFFFAOYSA-N
-rxn:5:197876:226062:226915,CC(C)c1cc(-c2cc3c(cc2-c2ccc(C4CCCC4)cc2)C(=O)N(C(C)(C)C)S3(=O)=O)cc(C(C)C)c1,UMTOEBMOZPWKEN-UHFFFAOYSA-N
-rxn:5:197876:226085:227338,CC(C)Oc1ccc(F)c(-c2cc3c(cc2-c2ccc4c(c2)CCC(C)(C)O4)S(=O)(=O)N(C(C)(C)C)C3=O)c1,SIXGSMYICQVMPA-UHFFFAOYSA-N
-rxn:5:197876:226137:228341,CC(C)c1ncc(C2CC2)cc1-c1cc2c(cc1-c1ccc(OC(F)F)cc1)C(=O)N(C(C)(C)C)S2(=O)=O,AXULZDQVXCENDP-UHFFFAOYSA-N
-rxn:5:197876:226150:227591,COc1cc(C(F)F)ccc1-c1cc2c(cc1-c1cccc(SC3CCCC3)c1)S(=O)(=O)N(C(C)(C)C)C2=O,KIBLFZIYOWQICX-UHFFFAOYSA-N
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-rxn:4:174700:223597,COC(=O)COc1ccc(-c2ccc(OCCN3CCC4(CC3)OCCO4)c(Cl)c2)c(F)c1,PULZGXYWUZIFKK-UHFFFAOYSA-N
-rxn:4:174711:223559,COC(=O)c1cc(OC(F)F)ccc1-c1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)OC(C)(C)C,MYODBGVCNRYSIU-UHFFFAOYSA-N
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-rxn:4:175163:223693,CC(=O)C(Sc1ccc(-c2cc(O[Si](C)(C)C(C)(C)C)cc(C(F)(F)F)c2F)cc1)C(C)=O,XUIXGJVHVDSCMV-UHFFFAOYSA-N
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-rxn:4:175340:223786,COC(=O)C(C)(C)Oc1ccc(-c2ccc(OCCCN3CCN(C)CC3)c(Cl)c2)cc1F,NFMSJJVMYRJKDV-UHFFFAOYSA-N
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-rxn:4:175346:223954,O=C1CCN(CCOc2ccc(-c3ccc(OCCC4OCCO4)c(F)c3)cc2F)CC1,YXTMRHPYRXXQPQ-UHFFFAOYSA-N
-rxn:4:175377:224793,CC(C)COc1ncc(C(F)(F)F)cc1-c1ccc(C(C)(OS(C)(=O)=O)C(F)(F)F)cc1,KIELLHIKNWECFU-UHFFFAOYSA-N
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-rxn:4:175729:223894,CN1CCN(CCCOc2cccc(-c3ccc(OCCC4OCCCO4)c(F)c3)c2)CC1,JEZBUTWKZWFIKR-UHFFFAOYSA-N
-rxn:4:175772:224420,Cc1cc2c(cc1-c1cccc([Si](C)(C)C)c1OS(=O)(=O)C(F)(F)F)C(C)(C)CCC2(C)C,QPZYDGMAJDDETB-UHFFFAOYSA-N
-rxn:4:175837:223559,COc1cc(OC)cc(C(=O)c2ccc(-c3ccc4c(c3)C(C)=CC(C)(C)N4C(=O)OC(C)(C)C)cc2)c1,DXEFKXTYORDICX-UHFFFAOYSA-N
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-rxn:4:176512:222524,O=S(=O)(c1cc(F)c(F)cc1-c1ccc(OC(F)=CC(F)(F)F)cc1)N1CCC(O)CC1,UUMLLHBXCYNZHN-UHFFFAOYSA-N
-rxn:4:176639:223579,CCOC(=O)c1c(F)ccc(Cl)c1-c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2C)cc1,GAKQKRNYCLSNCX-UHFFFAOYSA-N
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-rxn:4:177670:223534,CC(C)(C)OC(=O)N1CCC(Oc2cc(-c3cc(Cl)cc(-c4ccccc4OC(F)(F)F)c3)c(F)cn2)CC1,YZPQYIIUKXSFHF-UHFFFAOYSA-N
-rxn:4:177773:223898,CC(C)N(C(=O)OC(C)(C)C)c1ccc(-c2ccc(C(=O)OC(C)(C)C)c(F)c2F)cc1,UGYPOTNYLTWLHG-UHFFFAOYSA-N
-rxn:4:178039:224167,CN(Cc1ccc(-c2ccc(C(=O)C(C)(C)C)c(C(F)(F)F)c2)cc1)C(=O)OC(C)(C)C,NOFLCMFCYIYSFG-UHFFFAOYSA-N
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-rxn:4:178381:222945,CC(C)NS(=O)(=O)c1ccc(-c2c(C(C)(C)C)cc(C(C)(C)C)cc2C(C)(C)C)cc1F,LOKXKCNAMUBRPV-UHFFFAOYSA-N
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-rxn:4:180603:223811,COC(=O)c1cc(-c2ccc(CN3CCC4(CC3)OCCO4)c(Cl)c2)c2c(c1F)CCO2,UFOKZMWRFOUYMT-UHFFFAOYSA-N
-rxn:4:180815:224569,COc1ccc(-c2cc(F)cc(OCC3CCCCC3)c2)cc1C12CC3CC(CC(C3)C1)C2,OYRCTCRFZUPQJG-UHFFFAOYSA-N
-rxn:4:182372:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc4c(c3)C(=O)[C@]3(CC[C@H](OC)CC3)C4)c(F)c2)CC1,IGKCSUYNLPLMKW-HUZAHDTDSA-N
-rxn:4:182374:222606,CC(=O)c1cc2c(cc1-c1cccc(C(F)(F)F)c1C(=O)NC(C)(C)C)C(C)(C)CCC2(C)C,WMQVBMBGZKTMPZ-UHFFFAOYSA-N
-rxn:4:183273:225952,Cc1nc(N2CCOCC2)ncc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,AZLBZMPCZPKVGF-UHFFFAOYSA-N
-rxn:4:183273:227148,Cc1cc2c(cnn2C)cc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,WFARZFGQIKJMCC-UHFFFAOYSA-N
-rxn:4:183274:228061,Cc1noc2cccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCOCCO4)c12,NOGRWLXNOOACRC-UHFFFAOYSA-N
-rxn:4:183475:223699,CCOC(=O)COc1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2C(F)(F)F)c(F)c1[N+](=O)[O-],WDTZKHSLTIDIJU-UHFFFAOYSA-N
-rxn:4:183581:222546,CCOC(=O)c1cc(-c2ccc(OCCNC3CCCCC3)c(F)c2)cc(C(=O)OCC)n1,NYWOYLOHKHQXKM-UHFFFAOYSA-N
-rxn:4:183583:225366,COC(=O)C(C(=O)OC)c1ccc(-c2ccc(C(C)(F)F)cc2C(F)(F)F)cc1[N+](=O)[O-],IAVYPXUYILUTOR-UHFFFAOYSA-N
-rxn:4:183586:224485,COC(=O)C(C(=O)OC)c1c([N+](=O)[O-])ccc(F)c1-c1ccn([Si](C(C)C)(C(C)C)C(C)C)c1,ZQCIIECJSNHZEL-UHFFFAOYSA-N
-rxn:4:183586:224845,COC(=O)C(C(=O)OC)c1c([N+](=O)[O-])ccc(F)c1-c1cc(C(C)(C)C)cc(C(C)(C)C)c1,ODUWLBIKGGUKSN-UHFFFAOYSA-N
-rxn:4:183591:224160,CCOC(=O)C(C)Oc1ccc(-c2ccc3c(c2)CCN3C(=O)OC(C)(C)C)cc1[N+](=O)[O-],PEXGHCIAIOXOEN-UHFFFAOYSA-N
-rxn:4:183591:224720,CCOC(=O)C(C)Oc1ccc(-c2cn(C(=O)OC(C)(C)C)nc2C2CC2)cc1[N+](=O)[O-],JWDYUHMQLJTKKE-UHFFFAOYSA-N
-rxn:4:183599:222778,CON(C)C(=O)c1cc(OCC(F)(F)F)cc(-c2cncc(CNC(=O)OC(C)(C)C)c2)c1,ZMGRCHFLPUSJIO-UHFFFAOYSA-N
-rxn:4:183645:224710,CCCCOc1cc(-c2ccc(C(=O)ON3C(=O)CCC3=O)c(OCC(F)F)c2)cc(C(F)(F)F)c1,NUGZHDZWIZWKKL-UHFFFAOYSA-N
-rxn:4:183668:222924,Cc1ccc(-c2ccc(C(=O)C(C#N)C(=O)OC(C)(C)C)cc2)cc1S(=O)(=O)NC(C)C,NRCUXAMCCXBWDP-UHFFFAOYSA-N
-rxn:4:183668:224420,Cc1cc2c(cc1-c1ccc(C(=O)C(C#N)C(=O)OC(C)(C)C)cc1)C(C)(C)CCC2(C)C,MRIZLGGYRZKBAP-UHFFFAOYSA-N
-rxn:4:183730:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3ccc(OC(F)(F)F)cc3OCC(=O)N3CCOCC3)ccn2)CC1,KHJPDIFCNUDPHT-UHFFFAOYSA-N
-rxn:4:183743:224704,CCCCOc1cc(-c2cc(F)c(F)c(N3CCC(C)CC3)c2)ccc1C(=O)N1CCC1,SOOJZXIVDSFIMZ-UHFFFAOYSA-N
-rxn:4:183808:223958,CCN1CCN(C(=O)c2ccc(-c3ccc(OC(F)(F)F)cc3OCCN3CCC(F)(F)CC3)cc2F)CC1,JQYPGUSDGOWHTM-UHFFFAOYSA-N
-rxn:4:183819:224488,CCN(C(=O)OC(C)(C)C)c1cc(OC)cc(-c2ccc(C(=O)N(C(C)C)C(C)C)cc2)c1,OIYAXPFCCJUYHX-UHFFFAOYSA-N
-rxn:4:183823:224078,CC(C)(C)OC(=O)N(Cc1cc(-c2cccc3c2ccn3[Si](C)(C)C(C)(C)C)ccc1Cl)C1CC1,RYQXCWNFTBVQCF-UHFFFAOYSA-N
-rxn:4:183833:224270,C#Cc1ccc(-c2cn(C(=O)OC(C)(C)C)c3ncccc23)cc1OC1CN(C(=O)OC(C)(C)C)C1,YFINITVZWMQLEH-UHFFFAOYSA-N
-rxn:4:183862:225990,CCCCn1nc(C(F)(F)F)cc1-c1ccc(OCC2CCN(CC(=O)OC)CC2)cc1,JMFFGQBPDBFOGA-UHFFFAOYSA-N
-rxn:4:183872:224590,COCCOc1cc(-c2ccc(CN3CCC(C)CC3)cc2F)ccc1C(=O)N1CCCCC1,RBJCVUCQMHBNDS-UHFFFAOYSA-N
-rxn:4:183873:224501,COC(=O)c1cc(OCCN2CCCCC2)cc(-c2ccc(OCC3CCCCN3C)cc2)c1,XUOFNUHZJDWGQX-UHFFFAOYSA-N
-rxn:4:183877:225561,CC(C)(C)OC(=O)c1ccccc1-c1c(Cl)cccc1OCC1CN(C(=O)OC(C)(C)C)C1,WZHLDUOVFNDFQD-UHFFFAOYSA-N
-rxn:4:183892:223954,COC(=O)c1cc(OCCN2CCC(F)(F)CC2)cc(-c2ccc(OCCN3CCC(=O)CC3)c(F)c2)c1,DJUSKFMIJRLZNZ-UHFFFAOYSA-N
-rxn:4:183892:226541,COC(=O)c1cc(OCCN2CCC(F)(F)CC2)cc(-c2ccc(C(=O)OC)c(OC)c2)c1,UPXWYWPHDAAEFX-UHFFFAOYSA-N
-rxn:4:183897:223936,CCN(Cc1cc(-c2cc3c(F)cccc3n2C(=O)OC(C)(C)C)ccc1C)C(=O)OC(C)(C)C,PWGHOBOXVWPBRH-UHFFFAOYSA-N
-rxn:4:183899:225573,COC(=O)c1cc(-c2c(Cl)cccc2CN(C(=O)OC(C)(C)C)C(C)C)cc(C2CC2)c1,CJKNKZMQIHJSRI-UHFFFAOYSA-N
-rxn:4:183912:223294,CC1CCN(CCOc2cc(OC(F)(F)F)ccc2-c2csc(N3CCNCC3)n2)CC1,KBCUPLSWYZLAGH-UHFFFAOYSA-N
-rxn:4:183928:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2ccc(C(C)N(C(=O)OC(C)(C)C)C3CC3)cc2)cc1,UITIGQVHMUKBRD-UHFFFAOYSA-N
-rxn:4:183928:223881,Cc1ccc2cc(-c3ccc(C(C)N(C(=O)OC(C)(C)C)C4CC4)cc3)n(C(=O)OC(C)(C)C)c2c1,HHODPCCQYGXBKU-UHFFFAOYSA-N
-rxn:4:183928:225113,CC(c1ccc(-c2cccc(C(=O)OOC(C)(C)C)c2)cc1)N(C(=O)OC(C)(C)C)C1CC1,MNUACAWRKPOAEY-UHFFFAOYSA-N
-rxn:4:183929:224018,Cc1ccc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCOCC2)cc1CN(C(=O)OC(C)(C)C)C1CC1,IDYNYVHTAWMPBO-UHFFFAOYSA-N
-rxn:4:183963:222813,Cc1cccc(OCC2CN(C(=O)OC(C)(C)C)C2)c1-c1cnc(NC(=O)OC(C)(C)C)c(Cl)c1,OTQRCVITYKNGOZ-UHFFFAOYSA-N
-rxn:4:183965:225746,COC(=O)c1cc(OCCN2CCCC(C)C2)cc(-c2cccnc2C(=O)OC(C)(C)C)c1,WNGYQGONFAJQHS-UHFFFAOYSA-N
-rxn:4:183969:224752,CCOC(=O)C1CCN(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCCC4)cc3C)c(OC)c2)CC1,KOMCPYCNNVNIQW-UHFFFAOYSA-N
-rxn:4:183969:226770,CCOC(=O)C1CCN(S(=O)(=O)c2ccc(-c3cc(C(=O)OC)c(Cl)cc3F)c(OC)c2)CC1,DWXHFQJUXOMDRC-UHFFFAOYSA-N
-rxn:4:183983:225563,Cc1ccc(-c2cc(F)ccc2COC(C)(C)C)cc1CN(C(=O)OC(C)(C)C)C(C)C,LLAKBDXZBUYYAN-UHFFFAOYSA-N
-rxn:4:183984:223750,Cc1cc(-c2ccc3cccnc3c2O[Si](C)(C)C(C)(C)C)ccc1CN(C(=O)OC(C)(C)C)C(C)C,FCBKUIWYNYPIKD-UHFFFAOYSA-N
-rxn:4:183984:225987,Cc1cc(-c2ccc(N3CCCS3(=O)=O)cc2)ccc1CN(C(=O)OC(C)(C)C)C(C)C,SUOXJRLUTVVLID-UHFFFAOYSA-N
-rxn:4:183986:226585,Cc1cc(-c2cc(C(=O)N(C)C)ccc2Cl)cc(CN(C(=O)OC(C)(C)C)C(C)C)c1F,PYJVPGVWTBJEKH-UHFFFAOYSA-N
-rxn:4:184027:224904,CC(C)(C)OC(=O)N1CCC(COc2ccc(-c3ccc(C(=O)C4CCCCC4)cc3)cc2F)CC1,FPIYCXWXIFGWFQ-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:4:184031:223534,CC(C)(C)OC(=O)N1CCC(Oc2cc(-c3cc(F)cc(OCC4CCCN(C(=O)OC(C)(C)C)C4)c3)c(F)cn2)CC1,REDQZVFURDRKCZ-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
-rxn:4:184031:223975,CC(C)(C)OC(=O)N1CCCC(COc2cc(F)cc(-c3cn(C(=O)OC(C)(C)C)c4ccc(Cl)nc34)c2)C1,SPFIKIOBUQEURX-UHFFFAOYSA-N
-rxn:4:184046:222988,COc1cccc(C(=O)N(Cc2cccc(-c3cc(C)nc(C4CCNCC4)c3)c2)C2CCS(=O)(=O)C2)c1,DBZHUDDOLYKLAI-UHFFFAOYSA-N
-rxn:4:184055:223904,COc1cc(-c2cccc(C3CN(C(=O)OC(C)(C)C)C3)c2)ccc1OC1CCN(C(=O)OC(C)(C)C)CC1,JTMUYAVHYHHDBE-UHFFFAOYSA-N
-rxn:4:184055:223928,COc1cc(-c2cnc3c(c2)CN(C(=O)OC(C)(C)C)CC3)ccc1OC1CCN(C(=O)OC(C)(C)C)CC1,LUYKRNQWXUQLAB-UHFFFAOYSA-N
-rxn:4:184096:228811,CSc1ccc(F)c(-c2ccc(CN(C(=O)OC(C)(C)C)C3CCC(C)(C)CC3)cc2)c1,IAXAJHQGLSBIJT-UHFFFAOYSA-N
-rxn:4:184100:225237,Cc1cc(CN(C(=O)OC(C)(C)C)C2CCC(C)(C)CC2)cc(-c2ccnc(-c3ccc(F)c(F)c3)c2)c1,FNOREGYFLNMDAW-UHFFFAOYSA-N
-rxn:4:184222:224076,CC(C)(C)OC(=O)N(Cc1ccc(-c2ccc3c(ccn3[Si](C)(C)C(C)(C)C)c2)c2ccccc12)C1CCCCC1,ZZOCSNIIXRZWDR-UHFFFAOYSA-N
-rxn:4:184308:224703,O=[N+]([O-])c1ccc(OC(C(F)(F)F)C(F)(F)F)cc1-c1cc(C2CCCC2)cc(C(F)(F)F)c1,QNKIACVOUAWEIB-UHFFFAOYSA-N
-rxn:4:184389:223559,COC(=O)Cc1c(C#N)cc(C(F)F)cc1-c1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)OC(C)(C)C,CBUWXVHPMXPVBT-UHFFFAOYSA-N
-rxn:4:184404:223568,COC(=O)Cc1cc(-c2cnc3c(ccn3[Si](C(C)C)(C(C)C)C(C)C)c2Cl)cc(C(F)F)c1C#N,MCSABRKOLNLKME-UHFFFAOYSA-N
-rxn:4:184515:223574,CCOc1cc(C#N)cc(-c2cccc(CN3CCN(C(=O)OC(C)(C)C)CC3)c2)c1OC(C)=O,QDBDCVZNBIQUOP-UHFFFAOYSA-N
-rxn:4:184721:223885,CCOc1cc(C(=O)N(C)OC)cc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3)c1,PPWSIBYMEQTFSE-UHFFFAOYSA-N
-rxn:4:184724:224371,COC(=O)C1CCN(c2ncc(-c3cc(OCC(=O)N(C)C4CC4)ccc3F)cn2)CC1,QTEAUURNYLROCZ-UHFFFAOYSA-N
-rxn:4:184804:222588,COC(=O)c1cc(Oc2ccc(-c3ccc(OCCN4CCC(O)CC4)c(F)c3)c(F)c2)ccc1[N+](=O)[O-],QJKJQQAYLBOONW-UHFFFAOYSA-N
-rxn:4:184805:224285,COC(=O)c1cc(Oc2ccc(F)cc2F)c(-c2ccc(OCCN3CCOCC3)cc2F)cc1[N+](=O)[O-],KGSQYZLGWOMXBV-UHFFFAOYSA-N
-rxn:4:184825:223568,CCN(CC)C(=O)c1ccc(-c2cnc3c(ccn3[Si](C(C)C)(C(C)C)C(C)C)c2Cl)cc1OC,NZXVGQMAEDXISP-UHFFFAOYSA-N
-rxn:4:184835:223866,CCN(CC)C(=O)c1cc(Cl)c(OC)c(-c2ccccc2CN2C(C)(C)CCCC2(C)C)c1,DLFZXBYKXBTTIT-UHFFFAOYSA-N
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-rxn:4:184890:223061,COC(=O)C1CN(Cc2cc(-c3cc(C4CCNCC4)ncc3F)ccc2C(F)(F)F)C1,JDFLMPCMXWRBDH-UHFFFAOYSA-N
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-rxn:4:185201:222809,COc1cc(C2CN(C(=O)OC(C)(C)C)C2)ccc1-c1cc(Cl)ncc1NC(=O)OC(C)(C)C,DXWILFNIYPDRPQ-UHFFFAOYSA-N
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-rxn:4:185282:224730,CC(C)COc1ccc(C(F)(F)F)cc1-c1cccc(CN(C(=O)c2ccccc2Cl)C2CCS(=O)(=O)C2)c1,SOIHKEIPCDBFTL-UHFFFAOYSA-N
-rxn:4:185285:225279,Cc1nn(C(=O)OC(C)(C)C)c(C)c1-c1ccc(C(=O)N(Cc2ccc(Cl)cc2)C2CCS(=O)(=O)C2)cc1,PUAAYOYSJAOKJC-UHFFFAOYSA-N
-rxn:4:185301:225334,Cc1ccc(-c2ccc(F)cc2COCC(F)(F)F)cc1OCCCN1CCC(C)CC1,WRVDWHFPDAPUNC-UHFFFAOYSA-N
-rxn:4:185308:223590,Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1-c1ccc(OC2CCN(C(=O)OC(C)(C)C)CC2)cc1,QRHBEEOKHZZYOU-UHFFFAOYSA-N
-rxn:4:185308:224624,CC(C)(C)COC(=O)c1ccc(Cl)cc1-c1ccc(OC2CCN(C(=O)OC(C)(C)C)CC2)cc1,GTVIYDSHBSZBIP-UHFFFAOYSA-N
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-rxn:4:185353:225304,CC(C)(C)c1ncc(C(F)(F)F)cc1-c1ccc(CC(=O)N2CCC(S(=O)(=O)C(C)(C)C)C2)cc1,VKMPRMMLTCHKIQ-UHFFFAOYSA-N
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-rxn:4:185353:228502,Cn1cc(C(F)(F)F)c(-c2ccc(CC(=O)N3CCC(S(=O)(=O)C(C)(C)C)C3)cc2)n1,FPLIAFVHSFBLHN-UHFFFAOYSA-N
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-rxn:4:185367:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3cc(C(C)C)ccc3OCC(=O)N3CCC(C)CC3)c2)CC1,LTPNUMHYYNXOLF-UHFFFAOYSA-N
-rxn:4:185367:225123,CC1CCN(C(=O)COc2ccc(C(C)C)cc2-c2ccncc2OCC2CCCCO2)CC1,KRNXHJKWEWVOCL-UHFFFAOYSA-N
-rxn:4:185367:226298,CC1CCN(C(=O)COc2ccc(C(C)C)cc2-c2ccc(F)cc2OCC2CC2)CC1,BYBDQNZFFIWZFO-UHFFFAOYSA-N
-rxn:4:185375:227211,CCCCSc1ccc(-c2ccccc2S(=O)(=O)N2CCC(S(=O)(=O)CC(C)C)CC2)cn1,IWWFYVWITKYEPF-UHFFFAOYSA-N
-rxn:4:185376:224013,CC(C)CS(=O)(=O)C1CCCN(S(=O)(=O)c2ccccc2-c2cnc(-c3ccc(C(F)(F)F)cc3)nc2Cl)C1,JCPLEMKLDRBOIC-UHFFFAOYSA-N
-rxn:4:185381:225593,CC(C)(C)OC(=O)N1CCCC(c2cc(-c3cc(F)cc(CN4CCCC4)c3)cc(C(F)(F)F)c2)C1,GDKNOUKGTQLCLO-UHFFFAOYSA-N
-rxn:4:185381:226511,CC(C)(C)OC(=O)N1CCCC(c2cc(-c3cc(Cl)cnc3OCC3CC3)cc(C(F)(F)F)c2)C1,GVJUYDFGTXFYEA-UHFFFAOYSA-N
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-rxn:4:185383:227542,COC(=O)c1cc(F)ccc1-c1cc(C2CCN(C(=O)OC(C)(C)C)CC2)cc(C(F)(F)F)c1,PYYMBFWNDSMMAY-UHFFFAOYSA-N
-rxn:4:185384:225220,CC1CCCCN1c1ncc(-c2ccc(C(F)(F)F)cc2C2CCCN(C(=O)OC(C)(C)C)C2)cc1Cl,HCMGYIVWWMLPDP-UHFFFAOYSA-N
-rxn:4:185399:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3ccc(N(C)S(=O)(=O)c4ccc(C)cc4)c(C(=O)c4ccccc4)c3)cc21,NQTOEUGNAAEAEJ-UHFFFAOYSA-N
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-rxn:4:185412:223492,Cc1cc(-c2cc(C3CCN(C(=O)OC(C)(C)C)C3)ccc2C2CC2)ccc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,ONUBZYCWPWOJKN-UHFFFAOYSA-N
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-rxn:4:185414:223574,Cc1cc(Cl)cc(-c2cccc(CN3CCN(C(=O)OC(C)(C)C)CC3)c2)c1OC1CCN(C(=O)OC(C)(C)C)CC1,JOVGBFZTFRNCRJ-UHFFFAOYSA-N
-rxn:4:185414:223930,Cc1cc2c(cnn2C(=O)OC(C)(C)C)cc1-c1cc(Cl)cc(C)c1OC1CCN(C(=O)OC(C)(C)C)CC1,SCDDBDPPLQPIDF-UHFFFAOYSA-N
-rxn:4:185422:223069,CCCS(=O)(=O)Nc1cccc(-c2ccc(C3CN(C(=O)OC(C)(C)C)CCO3)c(C3CC3)c2)c1,LBOSJJASRVUFBZ-UHFFFAOYSA-N
-rxn:4:185423:225472,CC1CCCCN1c1cccc(-c2cc(C3CC3)cc(C3CN(C(=O)OC(C)(C)C)CCO3)c2)c1,VPMZOOWHKMDRLG-UHFFFAOYSA-N
-rxn:4:185428:224904,CC1CCN(C(=O)COc2ccc(C(C)(C)C)cc2-c2ccc(C(=O)C3CCCCC3)cc2)CC1,CAHCWMZHVCVMIY-UHFFFAOYSA-N
-rxn:4:185432:222813,Cc1cc(OC2CCN(C(=O)OC(C)(C)C)CC2)cc(C)c1-c1cnc(NC(=O)OC(C)(C)C)c(Cl)c1,CZDPZDFZQLWAJO-UHFFFAOYSA-N
-rxn:4:185441:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2ccc(C3(c4ccc(Cl)cc4)CCN(C(=O)OC(C)(C)C)CC3)cc2)cc1,SRGHVDJPLWMJQY-UHFFFAOYSA-N
-rxn:4:185483:223842,CC1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2ccc(F)c(OCCCN3C(=O)c4ccccc4C3=O)c2)CC1,NPPLCPWGSNPODV-UHFFFAOYSA-N
-rxn:4:185495:222638,COC(=O)c1cn(C(=O)OC(C)(C)C)c2cc(-c3cccc(C(C)NC(=O)OC(C)(C)C)c3)ccc12,HHQGJIQNXBOECN-UHFFFAOYSA-N
-rxn:4:185525:222606,CC(C)C(=O)N(c1ccc2oc(=O)sc2c1)S(=O)(=O)c1ccc(-c2cccc(C(F)(F)F)c2C(=O)NC(C)(C)C)cc1,ZCBIBUUVOGATHX-UHFFFAOYSA-N
-rxn:4:185648:222998,O=C(C1CCCCC1)N(c1ccc2oc3c(c2c1)CCCC3)S(=O)(=O)c1ccc(-c2cc(F)cc(C3CCCNC3)c2)cc1,DAXYTVGRHCLSMA-UHFFFAOYSA-N
-rxn:4:185866:223557,COC(=O)c1cc(C(F)F)cc(C#N)c1-c1c(F)ccc2c1ccn2[Si](C(C)C)(C(C)C)C(C)C,YBLRGYASGWTUJG-UHFFFAOYSA-N
-rxn:4:185886:223947,CCN(C(=O)OC(C)(C)C)c1ccc(-c2c(C(F)F)ccc(C(=O)OC)c2C#N)c(F)c1,JVXSAVFLKOZCPI-UHFFFAOYSA-N
-rxn:4:185956:223687,CCOC(=O)Cc1cc(-c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2)c(Cl)cn1,UPJURUSJXGMAOU-UHFFFAOYSA-N
-rxn:4:185959:223687,CCOC(=O)Cc1ncc(-c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2)cc1F,GYWNQHRYCNJSDA-UHFFFAOYSA-N
-rxn:4:186235:223481,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3cc(F)c([N+](=O)[O-])c(OCC4CC4)c3)c(F)c2)CC1,POUHXHUQIQIOOW-UHFFFAOYSA-N
-rxn:4:186286:223840,CCS(=O)(=O)c1cc(-c2ccc(OC)c(S(=O)(=O)N3CCN(C)CC3)c2)cnc1C(=O)OC,KFMJMVFNXIVNJP-UHFFFAOYSA-N
-rxn:4:186540:224270,CC(C)(C)OC(=O)n1cc(-c2cc(C(=O)ON3C(=O)CCC3=O)cc(C(F)(F)F)c2)c2cccnc21,LIEFAPZIBKVPMU-UHFFFAOYSA-N
-rxn:4:186680:223696,Cc1cc([N+](=O)[O-])c(OCC(C)C)cc1-c1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1,IPEHIIVTDYYCTD-UHFFFAOYSA-N
-rxn:4:186736:224247,COC(=O)c1ccc(-c2ccc(C(=O)N3CCC(C)CC3)cc2F)c(CN2CC(F)(F)C2)c1,VIYXDGUNHRDEMX-UHFFFAOYSA-N
-rxn:4:186751:224484,CC(C)N(C(=O)c1ccccc1-c1ccc(N(C(=O)C(F)(F)F)C2C=CS(=O)(=O)C2)cc1)C(C)C,RJCKFVCAFRBJFA-UHFFFAOYSA-N
-rxn:4:186768:223948,CCN(C(=O)c1ccc(-c2cc(C(=O)OC)cc(C(=O)OC(C)(C)C)c2)c(Cl)c1)C(C)C,XGSKXEGACRJIIN-UHFFFAOYSA-N
-rxn:4:186881:222639,CC(C)CN(C)S(=O)(=O)c1cc(-c2ccc([C@H](C)NC(=O)OC(C)(C)C)cc2)c(F)cc1F,OAAAOVXSMCJSIE-INIZCTEOSA-N
-rxn:4:186881:224609,CC(C)CN(C)S(=O)(=O)c1cc(-c2cnccc2C(=O)N(C(C)C)C(C)C)c(F)cc1F,AVQPHSROHKUUBU-UHFFFAOYSA-N
-rxn:4:186973:224594,CC(=O)N1CCCCC1c1ccccc1-c1ccc(OCC(=O)N2CCCCC2)c(Cl)c1,NIKJALDAFBSAFR-UHFFFAOYSA-N
-rxn:4:187000:223844,COC(=O)C1CCN(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCCC4)cc3C(F)(F)F)cc2)C1,MXVJUQNWGOMYMP-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:4:187012:225753,COC(=O)c1cnc(C2CC2)c(-c2ccc(C(=O)N3CCCCC3)cc2OC(F)(F)F)c1,DXUPXASPTBNFCF-UHFFFAOYSA-N
-rxn:4:187017:223493,COc1ccc(N(C)C(=O)c2cc(-c3cc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)ccc3C)ccc2Cl)cc1,KDHJWVDYTVGFID-UHFFFAOYSA-N
-rxn:4:187035:223784,CCN1CCN(CCOc2ccc(-c3ccc(OCCN4CCCC4)c(C)c3)cc2F)CC1,QEVJHIUUGLCWSV-UHFFFAOYSA-N
-rxn:4:187048:223939,CCN(C(=O)c1cc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CCO3)ccc1C)C(C)C,MCLUJBWMHUDXSD-UHFFFAOYSA-N
-rxn:4:187050:223822,CCN(C(=O)c1cc(C)cc(-c2cc(C(F)(F)F)ccc2C(=O)OCC(C)(C)C)c1)C(C)C,ZHINMCGISYXLBY-UHFFFAOYSA-N
-rxn:4:187074:224080,COC(=O)c1ccc(-c2ccc(OCCCN3CCCCC3)cc2)cc1CN1CCOCC1,DGKMKCVRPADIBB-UHFFFAOYSA-N
-rxn:4:187148:225940,O=C(Cc1ccc(-c2cc(C(F)(F)F)cnc2C2CC2)c(F)c1)N1CCCC(C(F)(F)F)C1,FMUDAFWWXPMAKC-UHFFFAOYSA-N
-rxn:4:187190:224719,CC(C)c1nn(C(=O)OC(C)(C)C)cc1-c1cccc(C2CN(C(=O)OC(C)(C)C)C2)c1,PRCXEHNNWSCTBS-UHFFFAOYSA-N
-rxn:4:187200:223998,COC(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCC(C)CC3)c(F)c2)c(CN2CCCCC2)c1,IMPSAKFUKFCWPO-UHFFFAOYSA-N
-rxn:4:187205:225287,CC(C)(C)OC(=O)c1cnc(Cl)cc1-c1ccc(Cl)cc1C1CN(C(=O)OC(C)(C)C)C1,CQTJYLQRGGJJRO-UHFFFAOYSA-N
-rxn:4:187209:224089,COC(=O)C1CCN(Cc2ccc(-c3ccc(OCCN4CCC(C)CC4)cc3)cc2F)CC1,VBJXNNATJNWLIC-UHFFFAOYSA-N
-rxn:4:187219:222829,CNS(=O)(=O)c1ccc(-c2ccc(F)c(C3CN(C(=O)OC(C)(C)C)C3)c2)c(C(F)(F)F)c1,YZTWQLAVWMCKPQ-UHFFFAOYSA-N
-rxn:4:187221:223521,CC(c1cccc(-c2cc(F)ccc2C2CN(C(=O)OC(C)(C)C)C2)c1)N1CCN(C(=O)OC(C)(C)C)CC1,DQQDPTZSEHUBTG-UHFFFAOYSA-N
-rxn:4:187226:223053,CC(C)NC(=O)c1ccc(-c2ccc(N(C(=O)C(C)C)C3C=CS(=O)(=O)C3)cc2)c(F)c1,BVBWFLQCHAWGNG-UHFFFAOYSA-N
-rxn:4:187250:224182,COC(=O)c1ccc(-c2ccc(OCCN3CCOCC3)c(C)c2)c(CN2CCCC(F)(F)C2)c1,OIZOBDPMCVPNRJ-UHFFFAOYSA-N
-rxn:4:187270:222855,COc1cc(-c2ccc(C(F)(F)F)cc2CN2CCCC(C(F)(F)F)C2)cc(C2CCCNC2)c1,HCGBSDQFVCZFMW-UHFFFAOYSA-N
-rxn:4:187276:227701,COC(=O)c1cc(-c2cc(C(F)(F)F)cc(S(=O)(=O)N3CCC(C(F)(F)F)CC3)c2)c(F)cn1,NKHAOJZLKZAKMD-UHFFFAOYSA-N
-rxn:4:187295:223574,Cc1ccc(C(=O)N(C(C)C)C(C)C)c(-c2cccc(CN3CCN(C(=O)OC(C)(C)C)CC3)c2)c1,GUDJZJCTDSECKL-UHFFFAOYSA-N
-rxn:4:187304:224403,COC1CCN(CCc2cc(-c3cnc(N4CCOCC4)c(C(F)(F)F)c3)ccc2F)CC1,WREWIRDOKBCCBO-UHFFFAOYSA-N
-rxn:4:187311:222588,CC1CCCN(CCOc2c(F)cc(Cl)cc2-c2ccc(OCCN3CCC(O)CC3)c(F)c2)C1,OQXLYRBEHOXHJT-UHFFFAOYSA-N
-rxn:4:187311:223743,Cc1ccc(-c2cc(Cl)cc(F)c2OCCN2CCCC(C)C2)cc1OCCCN1CCC(C)CC1,UEULIXRJIBQCFZ-UHFFFAOYSA-N
-rxn:4:187313:222622,CCOc1ccc(-c2cc(C(C)CC)nc(C3CCCNC3)c2)cc1S(=O)(=O)N1CCCCC1,SUVCHSQOKFXALV-UHFFFAOYSA-N
-rxn:4:187313:224320,CCOc1ccc(-c2cc(S(=O)(=O)N3CCCCC3)ccc2C)cc1S(=O)(=O)N1CCCCC1,AYUPHNCKXCBSIN-UHFFFAOYSA-N
-rxn:4:187315:224670,CCOc1ccc(CN2CCC(F)(F)CC2)cc1-c1cc(CN2CCN(C)CC2)ccc1F,RQJUCJCFWATNNZ-UHFFFAOYSA-N
-rxn:4:187322:223784,CCN1CCN(CCOc2ccc(-c3cc(CN4CCC(C)CC4)ccc3OC(F)(F)F)cc2F)CC1,XWEVMBCRUQIDLE-UHFFFAOYSA-N
-rxn:4:187323:224252,CC1CCN(Cc2ccc(-c3ccc(C(=O)N4CCCC(C)C4)c(F)c3)cc2OC(F)(F)F)CC1,SAQZJIWJAALXSI-UHFFFAOYSA-N
-rxn:4:187406:223784,CCN1CCN(CCOc2ccc(-c3ccc(OCC(=O)N4CCC(C)CC4)c(C)c3)cc2F)CC1,NUEGFSHPDXAXOG-UHFFFAOYSA-N
-rxn:4:187421:223898,Cc1ccc(C2CN(C(=O)OC(C)(C)C)C2)cc1-c1ccc(N(C(=O)OC(C)(C)C)C(C)C)cc1,ZZQZPLCPXSYUTH-UHFFFAOYSA-N
-rxn:4:187427:223970,COC(=O)c1cc(-c2ccc(C)c(S(=O)(=O)N3CCC(C)CC3)c2)ccc1CN1CCCC(C)C1,IOBOQKLCRRXUID-UHFFFAOYSA-N
-rxn:4:187428:223787,COC(=O)c1cc(-c2ccc(OCCCN3CCN(C)CC3)c(F)c2)ccc1CN1CCCCC1C,VZVNVXLMUIFWTH-UHFFFAOYSA-N
-rxn:4:187428:224704,COC(=O)c1cc(-c2cc(F)c(F)c(N3CCC(C)CC3)c2)ccc1CN1CCCCC1C,VEGGJAOGLKSECV-UHFFFAOYSA-N
-rxn:4:187429:225226,COC(=O)c1cc(CN2CCC(C)CC2)cc(-c2cc(N3CCC(C)CC3)ncc2F)c1,POFHLRJPQXLEMK-UHFFFAOYSA-N
-rxn:4:187431:223784,CCN1CCN(CCOc2ccc(-c3cc(CN4CCCCC4C)cc(C(=O)OC)c3)cc2F)CC1,XZMJCPPKHHYEJB-UHFFFAOYSA-N
-rxn:4:187432:222944,COC(=O)c1ccc(-c2ccc(S(=O)(=O)NC3CC3)cc2F)c(CN2CCC(C)CC2)c1,SAVCFRWVNKTWTF-UHFFFAOYSA-N
-rxn:4:187433:225223,COC(=O)c1ccc(-c2cnc(N3CCC(C)CC3)cc2F)c(CN2CCCC(C)C2)c1,HSIJOJBRSLMDCJ-UHFFFAOYSA-N
-rxn:4:187494:222947,CC(C)(C)OC(=O)N1CCOC(c2ccc(-c3cnc(N4CCCC(O)C4)nc3Cl)cc2)C1,QHJNKBAVXMAVIH-UHFFFAOYSA-N
-rxn:4:187498:225312,COc1cc(-c2cnc(N3CCCN(C)CC3)nc2)cc(OC)c1C(=O)N1CCC(C)CC1,AUNXKXZZSJJZMK-UHFFFAOYSA-N
-rxn:4:187581:223505,CC1CN(C(=O)OC(C)(C)C)CCC1c1cc(-c2ccc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cc2)co1,GIQLHZAVYDXOGA-UHFFFAOYSA-N
-rxn:4:187581:223589,Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1coc(C2CCN(C(=O)OC(C)(C)C)CC2C)c1,WMUOBIIWPULYDS-UHFFFAOYSA-N
-rxn:4:187581:223776,CC1CN(C(=O)OC(C)(C)C)CCC1c1cc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)CCO3)co1,DONIUXYSQKQZRY-UHFFFAOYSA-N
-rxn:4:187581:226021,CC1CN(C(=O)OC(C)(C)C)CCC1c1cc(-c2cc(Cl)ccc2OCC(F)(F)F)co1,IMCVPACTEGDJLE-UHFFFAOYSA-N
-rxn:4:187587:223635,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3ccc(C4CCN(C(=O)OC(C)(C)C)CC4)c(Cl)c3)cc2)CC1,WMGJHIMMUCIKIT-UHFFFAOYSA-N
-rxn:4:187589:225271,COC(=O)c1cc(OC)c(OC)cc1-c1cc(C2CCCN(C(=O)OC(C)(C)C)C2)ccc1F,URHNWAABYBAPMY-UHFFFAOYSA-N
-rxn:4:187592:223683,CC(C)(C)OC(=O)N1CCC(c2ccc(F)c(-c3cnc(OC4CCN(C(=O)OC(C)(C)C)C4)nc3)c2)CC1,ZDYQAWSEPJDWNK-UHFFFAOYSA-N
-rxn:4:187594:223538,CC(C)(C)OC(=O)N1CCCC(c2cc(F)cc(-c3ccnc4c3cc(C(F)F)n4S(=O)(=O)c3ccccc3)c2)C1,FZSOGSLOPIDCNG-UHFFFAOYSA-N
-rxn:4:187596:223504,CC(C)(C)OC(=O)N1CCC(c2cc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)c([N+](=O)[O-])c3)ccc2F)CC1,LMQARPLINAVTFG-UHFFFAOYSA-N
-rxn:4:187656:222429,CCN(C1CCCCC1)S(=O)(=O)c1cc(C)c(-c2ccc(CNC(=O)c3ccc(F)cc3C(F)(F)F)cc2)cc1C,UGHBMSCIMHTDKA-UHFFFAOYSA-N
-rxn:4:187663:224276,Cc1cc(-c2cn(C(=O)OC(C)(C)C)c3cccnc23)ccc1C1CCCN(C(=O)OC(C)(C)C)C1,SLDIYZVLXMSIPT-UHFFFAOYSA-N
-rxn:4:187663:225899,Cc1cc(-c2ccc(C3CCCN(C(=O)OC(C)(C)C)C3)c(C)c2)n(C(=O)OC(C)(C)C)n1,IFAWYKBMLSZTAU-UHFFFAOYSA-N
-rxn:4:187693:225212,CN1CCN(c2cc(F)cc(-c3ccc(C(=O)c4ccccc4CN4CCC5(CC4)OCCO5)c(F)c3)c2)CC1,IIARSHQZMHFFIK-UHFFFAOYSA-N
-rxn:4:187810:222584,COC(=O)c1cc(-c2ccc(OCCCN3CCNCC3)c(F)c2)cc2c1CCN2CC1CC1,GLXDRBDAZJDUBA-UHFFFAOYSA-N
-rxn:4:187810:223945,COC(=O)c1cc(-c2ccc(OCCCN3CCOCC3)c(F)c2)cc2c1CCN2CC1CC1,RJFCKPGAURXBJQ-UHFFFAOYSA-N
-rxn:4:187933:222684,CC1CCN(C(=O)COc2ccc3ccccc3c2-c2ccc(OCCN3CCNCC3)c(Cl)c2)CC1,OBWLAAWDJOXWBR-UHFFFAOYSA-N
-rxn:4:187933:224168,CCN(C(=O)OC(C)(C)C)c1cccc(-c2c(OCC(=O)N3CCC(C)CC3)ccc3ccccc23)c1,KLMWIPOMQVXBKD-UHFFFAOYSA-N
-rxn:4:187941:222823,CC(C)(C)NS(=O)(=O)c1ccc(-c2cccc3cc([Si](C)(C)C)n(C(=O)OC(C)(C)C)c23)c(F)c1,DXADBTFBXNRZGZ-UHFFFAOYSA-N
-rxn:4:187960:223602,CN(C)C(=O)Oc1ccc2c(-c3cc4cc(-c5ccnc(N6CCN(C(=O)OC(C)(C)C)CC6)c5Cl)ccc4oc3=O)cc(=O)oc2c1,YDFHRILMCSMUEE-UHFFFAOYSA-N
-rxn:4:187962:225105,CCN(CC)C(=O)c1ccc(-c2cc(F)c3c(c2)C(C)(C)N(Cc2ccc(OC)cc2OC)C3=O)cc1F,UALFOIJDCRGMKC-UHFFFAOYSA-N
-rxn:4:187962:225328,CCCSc1ncc(C(F)(F)F)cc1-c1cc(F)c2c(c1)C(C)(C)N(Cc1ccc(OC)cc1OC)C2=O,JPCOFAISKJJJDI-UHFFFAOYSA-N
-rxn:4:187968:222648,Cc1cc(C)c(-c2ccc3c(ccn3[Si](C(C)C)(C(C)C)C(C)C)c2)cc1NC(=O)OC(C)(C)C,ZBGPDVXQHPWOIR-UHFFFAOYSA-N
-rxn:4:188483:223843,CCN(CC)S(=O)(=O)c1ccc(-c2cc(C(F)(F)F)cc(C(=O)OC)n2)c(C(F)(F)F)c1,GEINFOKKZXFNEV-UHFFFAOYSA-N
-rxn:4:188485:222522,COC(=O)c1cc(C(F)(F)F)ncc1-c1ccc(OC)c(S(=O)(=O)N2CCC(O)CC2)c1,XLIUYUHEDAWOQN-UHFFFAOYSA-N
-rxn:4:188927:222545,CCS(=O)(=O)c1cc(C(F)(F)F)cnc1-c1ccc(C(C)(C)NC(=O)OC(C)(C)C)cc1,ULENBCGSHCTVON-UHFFFAOYSA-N
-rxn:4:189103:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3ccc(S(=O)(=O)C(C)(C)C#N)cc3)cc21,TYTNGTNIFGYAGM-UHFFFAOYSA-N
-rxn:4:189213:223569,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(F)c(-c3ccc(C(=O)ON4C(=O)CCC4=O)cc3F)cnc21,KHJZTCXYSPLHKR-UHFFFAOYSA-N
-rxn:4:189626:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3ccc(OCC4CCOCC4)cn3)c2)CC1,QOHFOPWVRJSTIF-UHFFFAOYSA-N
-rxn:4:189643:223687,CCN(C)S(=O)(=O)c1ccc(-c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2)c(C)c1,AIQROAUFCNGSHB-UHFFFAOYSA-N
-rxn:4:189790:222513,COC(=O)c1cnc(C2CCCC2)cc1-c1cc(S(=O)(=O)NC2CCCCC2)ccc1OC,LLZZKOFPAXZDNQ-UHFFFAOYSA-N
-rxn:4:189790:222589,COC(=O)c1cnc(C2CCCC2)cc1-c1ccc(OCCN2CCC(O)CC2)c(Cl)c1,YZZZBBMQQCRFCY-UHFFFAOYSA-N
-rxn:4:189807:222466,N#Cc1c(OC2CCCCC2)cccc1-c1cc(C2CCCCC2)nc(C2CCNCC2)c1,YQFBUSFWLKJFNQ-UHFFFAOYSA-N
-rxn:4:189835:224398,Cc1cc(F)c(-c2cc(CN3CCCC3)cc(C(F)(F)F)c2)cc1S(=O)(=O)N1CCCC1,XMCJSFIBQNDZCE-UHFFFAOYSA-N
-rxn:4:189866:224368,CN(C(=O)OC(C)(C)C)c1cc(-c2cc(C(F)(F)F)cc(S(=O)(=O)N3CCCC3)c2)cnc1Cl,ZSLGIKGQOMDBMP-UHFFFAOYSA-N
-rxn:4:189866:225304,CC(C)(C)c1ncc(C(F)(F)F)cc1-c1cc(C(F)(F)F)cc(S(=O)(=O)N2CCCC2)c1,UXNNGVQBSGVZOH-UHFFFAOYSA-N
-rxn:4:189888:222825,CC(C)(C)NS(=O)(=O)c1ccc(Cl)cc1-c1ccc(S(=O)(=O)N2CCC(F)(F)C2)c(C(F)(F)F)c1,NFFYWWYIDGJCMH-UHFFFAOYSA-N
-rxn:4:189944:222538,O=S(=O)(Cc1cccc(-c2cc(C3CCCC3)nc(C3CCNCC3)c2)c1)N1CCOCC1,FASRYOINZRRZJF-UHFFFAOYSA-N
-rxn:4:189973:222945,CC(C)NS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)cc(S(=O)(=O)N3CCOCC3)c2)cc1F,AGOKRVDCEJBNFB-UHFFFAOYSA-N
-rxn:4:189973:223999,CC1CCN(S(=O)(=O)c2ccc(F)c(-c3cc(C(F)(F)F)cc(S(=O)(=O)N4CCOCC4)c3)c2)CC1,DLSKVSKCKJSXLD-UHFFFAOYSA-N
-rxn:4:189982:222539,CN(C(C)(C)C)S(=O)(=O)c1cccc(-c2ccc3c(c2)CC(NC(=O)OC(C)(C)C)C3)c1,WQFJDYDNCOHMJX-UHFFFAOYSA-N
-rxn:4:190006:222635,CC(=NS(=O)C(C)(C)C)c1cc(-c2cccc([C@H](C)NC(=O)OC(C)(C)C)c2)ccc1F,YLRUHIITGASPOK-KXJSNILUSA-N
-rxn:4:190015:224770,COc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1cc(C)cc(S(=O)(=O)N2CCCC2)c1,USOWHSDCEBHVNA-UHFFFAOYSA-N
-rxn:4:190015:224800,COc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1ccc(OC(F)(F)F)c(OC(C)C)c1,RMFFHRBOVYOQGX-UHFFFAOYSA-N
-rxn:4:190018:224807,CC(C)Oc1cc(C(F)(F)F)cc(-c2ccccc2C(=O)N(C)C2CCS(=O)(=O)C2)c1F,SWHAPWGQOBDDLB-UHFFFAOYSA-N
-rxn:4:190072:222447,COc1ccc2c(c1-c1ccc(Cl)c(C(=O)N3CCCCC3C(F)(F)F)c1)N=C(NC(=O)OC(C)(C)C)C2,LDUHFFYBZQZCFF-UHFFFAOYSA-N
-rxn:4:190076:224835,CN(C)S(=O)(=O)n1nc(C(F)(F)F)cc1-c1ccc(C(=O)N2CCC(C(F)(F)F)CC2)cc1F,PEAWBLSVMMOUEV-UHFFFAOYSA-N
-rxn:4:190109:223894,COC(=O)c1ccc(N2CCCCC2)c(-c2cccc(OCCCN3CCN(C)CC3)c2)c1,OOGLPICJHKERCR-UHFFFAOYSA-N
-rxn:4:190109:224247,COC(=O)c1ccc(N2CCCCC2)c(-c2ccc(C(=O)N3CCC(C)CC3)cc2F)c1,PDNFEZXAFXQAHF-UHFFFAOYSA-N
-rxn:4:190156:222700,COc1ccc(S(=O)(=O)N2CCC(=O)CC2)cc1-c1ccc(C(F)(F)F)cc1C1CCCNC1,RLZVSTFHELXYEW-UHFFFAOYSA-N
-rxn:4:190166:222729,CCCc1cc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2C(F)(F)F)cc(C2CCCNC2)n1,WYHHNQFUFIAQNI-UHFFFAOYSA-N
-rxn:4:190175:225558,O=S(=O)(c1cc(-c2ccccc2OCC2CCOC2)c(F)cc1F)N1CCCCC1C(F)(F)F,TWWLJRNAOSGSMF-UHFFFAOYSA-N
-rxn:4:190199:224128,CN(Cc1cc(Cl)ccc1-c1ccc(C(=O)N(C)C2CCCCC2)cc1)C1CCOCC1,UEQIBJCXRCLNBN-UHFFFAOYSA-N
-rxn:4:190253:223505,CN(C(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cc2)cc1)C1CCCCC1,UQYDNHBXNKPVJP-UHFFFAOYSA-N
-rxn:4:190274:223832,COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1-c1cc(C)c(S(=O)(=O)N2CCOCC2)cc1OC,KMUMWOKQJYUXGM-UHFFFAOYSA-N
-rxn:4:190276:222952,CN(C(=O)c1ccc(-c2cccc(NC(=O)C(F)(F)F)c2F)cc1)C1(C)CCS(=O)(=O)C1,JZAORYUUOIGJHV-UHFFFAOYSA-N
-rxn:4:190411:224246,Cc1cc(CC(=O)N2CCC(C)CC2)ccc1-c1ccc(C(=O)N2CCC(C)CC2)c(F)c1,YXRLHDAOQAACOV-UHFFFAOYSA-N
-rxn:4:190431:226181,COc1ccc(-c2ccc(C3=CCCCC3)nc2)c(C(=O)N2CCC3(CC2)OCCS3)c1,KTRIJZRRMMGEEG-UHFFFAOYSA-N
-rxn:4:190443:225302,COc1cc(C)c(-c2cc(C(F)(F)F)ncc2C(C)(C)C)cc1S(=O)(=O)N1CCCCC1C,STPRXGASWZYNCZ-UHFFFAOYSA-N
-rxn:4:190451:227313,CCC(C)c1cc(-c2cc(S(=O)(=O)N3CCC4(CC3)OCCO4)ccc2OC)c(F)cn1,AOCSHVRBXCFPDP-UHFFFAOYSA-N
-rxn:4:190498:224078,Cc1cc(S(=O)(=O)N2CCCCCC2)c(C(C)C)cc1-c1cccc2c1ccn2[Si](C)(C)C(C)(C)C,UAYZWSQAFNIMJM-UHFFFAOYSA-N
-rxn:4:190823:222637,CC(NC(=O)OC(C)(C)C)c1ccc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)C3=O)cc1,WENTWGLBYKPQML-UHFFFAOYSA-N
-rxn:4:190823:223577,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3ccc4c(c3)CN(C(=O)OC(C)(C)C)C4=O)cc2)CC1,LHVIWLJFZGAWLX-UHFFFAOYSA-N
-rxn:4:190856:222613,CCCNS(=O)(=O)c1ccc(-c2cccc3c2N(C(=O)OC(C)(C)C)CC3)c(C(F)(F)F)c1,KMCFFPNLXIDDCE-UHFFFAOYSA-N
-rxn:4:190857:222809,CC(C)(C)OC(=O)Nc1cnc(Cl)cc1-c1cc2c(s1)CN(C(=O)OC(C)(C)C)CC2,XBTUDAWNQCLXCI-UHFFFAOYSA-N
-rxn:4:190857:224485,CC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2cc3c(s2)CN(C(=O)OC(C)(C)C)CC3)c1,PWAAKLRIWYAZGS-UHFFFAOYSA-N
-rxn:4:190953:223776,CC(C)(C)OC(=O)N1CCc2ccc(-c3ccc4c(c3)CN(C(=O)OC(C)(C)C)CCO4)cc2C1,BWRJAYOSAGNRSI-UHFFFAOYSA-N
-rxn:4:190956:224834,CN(C)S(=O)(=O)n1cc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CCC3)c(C(F)(F)F)n1,UIRDAKYPYFGGOA-UHFFFAOYSA-N
-rxn:4:190961:223880,Cc1ccc2c(c1)cc(-c1cc3c(cc1F)N(C(=O)OC(C)(C)C)CCC3)n2C(=O)OC(C)(C)C,SPWSTXOTKMXUPF-UHFFFAOYSA-N
-rxn:4:190972:224301,CC(C)(C)[Si](C)(C)Oc1cc(F)c(F)c(-c2ccc(C(=O)N3C4CCC3CC(S(C)(=O)=O)C4)o2)c1,MDJUDNDELBSAGN-UHFFFAOYSA-N
-rxn:4:190976:222829,CNS(=O)(=O)c1ccc(-c2ccc3c(c2)C(F)(F)CN(C(=O)OC(C)(C)C)C3)c(C(F)(F)F)c1,YSDXWORANSNTPL-UHFFFAOYSA-N
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-rxn:4:202807:224864,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2ccc(CN(C(C)C)C(C)C)cc2)cc1,KFJBEEFQOZHMIO-UHFFFAOYSA-N
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-rxn:4:204606:225261,CCN(CC)S(=O)(=O)c1cccc(-c2cc3c(nc2Cl)CN(C(=O)OC(C)(C)C)CC3)c1,SBWXMWXECTULRL-UHFFFAOYSA-N
-rxn:4:204740:223084,CCN1C(=O)C(=C2SC(=S)N(CC(C)C)C2=O)c2cc(-c3cnc(N4CCC(O)CC4)nc3)ccc21,FIZJUDMCJMLUKO-UHFFFAOYSA-N
-rxn:4:204806:224811,Cc1cccc(C(=O)N=C2SC3CS(=O)(=O)CC3N2c2cccc(-c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)c2)c1,ICKNJNMSYHHPIT-UHFFFAOYSA-N
-rxn:4:206331:223687,CC(C)(C)N=Cc1cc(Cl)ncc1-c1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1,RQJQZTGFZPPJGR-UHFFFAOYSA-N
-rxn:4:206419:222389,O=S(=O)(c1ccc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)cn1)N1CCCC1,OOQVVKVURRAGML-UHFFFAOYSA-N
-rxn:4:206487:223602,CCc1nc(N2CCOCC2)sc1-c1ccnc(N2CCN(C(=O)OC(C)(C)C)CC2)c1Cl,GUQGCFGSUVNRJB-UHFFFAOYSA-N
-rxn:4:206525:222604,COc1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)nc2)cc1S(=O)(=O)NC1CCCC1,YYQRPSPWQXQBDO-UHFFFAOYSA-N
-rxn:4:206696:223602,CC(=O)N1CCOC(c2cccc(-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3Cl)n2)C1,SQWNNYWJKKNTBQ-UHFFFAOYSA-N
-rxn:4:206697:224320,Cc1ccc(S(=O)(=O)N2CCCCC2)cc1-c1cnc(C2CCCN(S(C)(=O)=O)C2)s1,TVJUMWMREQXZEK-UHFFFAOYSA-N
-rxn:4:206714:223540,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1ccc(C2CCCN2S(C)(=O)=O)nc1,LGNHWYQOOVUJQZ-UHFFFAOYSA-N
-rxn:4:206945:224321,Cc1nc(C2CCCN(S(C)(=O)=O)C2)sc1-c1cccc(S(=O)(=O)N2CCC(C)CC2)c1,AXLNPGXVMYOCOT-UHFFFAOYSA-N
-rxn:4:206955:223699,CN1CCN(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3C(F)(F)F)cc2)CC1,TVMVSYZUKKVMDQ-UHFFFAOYSA-N
-rxn:4:206956:223842,CC1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2cccc(S(=O)(=O)N3CCN(C)CC3)c2)CC1,FVQPZSWZKBDUNL-UHFFFAOYSA-N
-rxn:4:206970:224829,COC(=O)c1ccc(-c2cc(N3CCC(C)CC3)c([N+](=O)[O-])cc2F)cc1OC(F)(F)F,WILKSTQYQDWPHF-UHFFFAOYSA-N
-rxn:4:206990:224760,CN1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2ccc(S(=O)(=O)N3CCCCC3)cc2)CC1,DQEJLJBLTJCOHJ-UHFFFAOYSA-N
-rxn:4:207048:223728,CCCCCC1CCC(c2ccc(-c3cncc(CC4CCCN(C)CC4)c3)c(F)c2)CC1,DAOWPEWECKYVMB-UHFFFAOYSA-N
-rxn:4:207075:223480,Cc1cc(-c2ccc(-c3csc(N4CCC(C)CC4)n3)cc2)cc(C)c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,GQMDGDXSLDGDIJ-UHFFFAOYSA-N
-rxn:4:207081:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cncc(C(=O)N4CC5(COC(C)(C)OC5)C4)c3)c(F)c2)CC1,QUFPDGQDSHYCBI-YHBQERECSA-N
-rxn:4:207232:223504,COC(=O)c1nc2[nH]ccc2cc1-c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)c([N+](=O)[O-])c1,RZJQBBAPEFFAAU-UHFFFAOYSA-N
-rxn:4:207460:224011,CCn1ncc(-c2ccc(S(=O)(=O)N3CCN(C)CC3)c(F)c2)c1C12CCCOC1O2,BTUMPTYIIWLRLY-UHFFFAOYSA-N
-rxn:4:207462:223994,CCn1ncc(-c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2C)c1C12CSCCC1O2,VSFZZJAFXIYENE-UHFFFAOYSA-N
-rxn:4:207462:224011,CCn1ncc(-c2ccc(S(=O)(=O)N3CCN(C)CC3)c(F)c2)c1C12CSCCC1O2,SPKXDPMVSFMQLJ-UHFFFAOYSA-N
-rxn:4:207463:224011,CCn1ncc(-c2ccc(S(=O)(=O)N3CCN(C)CC3)c(F)c2)c1C12CCSCC1O2,XBFSBAFEXLRYMU-UHFFFAOYSA-N
-rxn:4:207575:222538,CCn1ncc(-c2cc(C3CCCC3)nc(C3CCNCC3)c2)c1C12CCCCC1O2,BZMMDUQRUXYMOB-UHFFFAOYSA-N
-rxn:4:207779:223993,Cc1cc(-c2ccc(S(=O)(=O)N3CCN4CCC3CC4)cc2)ccc1S(=O)(=O)N1CCN(C)CC1,JCPDSAVTVFIQIU-UHFFFAOYSA-N
-rxn:4:207820:222465,Cn1c(=NC(=O)c2ccc3c(c2)OCCO3)sc2cc(-c3cc(C4CCCCC4)nc(C4CCCNC4)c3)ccc21,FJRLFGDVJDXPHN-UHFFFAOYSA-N
-rxn:4:207854:222985,Cc1nc(C2CCCNC2)ccc1-c1ccc2c(c1)CCN2C1CCN(C2CCC2)CC1,NYHRDTFJVPURBN-UHFFFAOYSA-N
-rxn:4:207896:223507,Cc1cc(N2C(=O)c3oc4ccc(-c5ccccc5S(=O)(=O)N5CCN(C(=O)OC(C)(C)C)CC5)cc4c(=O)c3C2c2ccccc2)no1,CJPPSLSAOOOFKN-UHFFFAOYSA-N
-rxn:4:209274:223527,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)ccc2-c2ncc(C3CCCC3)[nH]2)CC1,LUCXVGBWUSEPFN-UHFFFAOYSA-N
-rxn:4:209558:223595,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cncc(N4CCOCC4=O)c3)cc2F)CC1,SGFYBUSVZSVOAQ-UHFFFAOYSA-N
-rxn:4:209696:223669,CN1CCN(c2cccc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)nc3)c2)C1=O,HZWHCBSKGXDYKC-UHFFFAOYSA-N
-rxn:4:210691:222524,Cn1ncc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC(O)CC2)c1C12CCCSC1O2,CKNCCBWOCKVKOX-UHFFFAOYSA-N
-rxn:4:210694:223712,COc1ccc(-c2cnn(C)c2C23COC(C)C2O3)cc1C12CC3CC(CC(C3)C1)C2,XDFNHBBNJJUTKD-UHFFFAOYSA-N
-rxn:4:211060:223529,CN1CCN(C2CCCc3cc(-c4ccc(CN5CCN(C(=O)OC(C)(C)C)CC5)c(F)c4)ccc32)CC1,JEFXJSOMMUKBAF-UHFFFAOYSA-N
-rxn:4:211089:223557,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc4c(c3)N3CCCCCC3=C(C#N)S4(=O)=O)c(F)ccc21,OJSMMEOBSCKFOE-UHFFFAOYSA-N
-rxn:4:211089:224301,CC(C)(C)[Si](C)(C)Oc1cc(F)c(F)c(-c2ccc3c(c2)N2CCCCCC2=C(C#N)S3(=O)=O)c1,MLXHWWXKEWFMPB-UHFFFAOYSA-N
-rxn:4:211101:226181,Cc1ccc(C2=NN3C(C2)c2cc(-c4ccc(C5=CCCCC5)nc4)ccc2OC32CCC(C)CC2)cc1,YDIWKGDASBZITE-UHFFFAOYSA-N
-rxn:4:212526:222522,COc1ccc(-c2cc([N+](=O)[O-])ccc2OCCN2CCC(C#N)CC2)cc1S(=O)(=O)N1CCC(O)CC1,FFNTYXJONJCPOX-UHFFFAOYSA-N
-rxn:4:212539:224566,CCN(Cc1c(-c2ccc(C3(C(=O)OC)CCCC3)cc2)cnn1C)C(=O)OC(C)(C)C,YQNKGSHGJNPJPA-UHFFFAOYSA-N
-rxn:4:212541:225877,CC(C)(C)OC(=O)N1CC(COc2cncc(-c3ccc(Cl)cc3N3CCOCC3)n2)C1,RIZSTEHXFCZOBB-UHFFFAOYSA-N
-rxn:4:212542:223534,CCOCC(=O)N1CCCC(Oc2ncc(-c3cc(OC4CCN(C(=O)OC(C)(C)C)CC4)ncc3F)cn2)C1,WBWKQBUHIOHSNM-UHFFFAOYSA-N
-rxn:4:212542:223992,CCOCC(=O)N1CCCC(Oc2ncc(-c3ccc(C)c(S(=O)(=O)N4CCN(C)CC4)c3)cn2)C1,HTCRQDIFMPUCDK-UHFFFAOYSA-N
-rxn:4:212547:223602,CCOCCN1CCC(Oc2ncc(-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3Cl)cn2)CC1,LJWYFAHTBJEIFT-UHFFFAOYSA-N
-rxn:4:212587:222537,CCOc1ccc(S(=O)(=O)N2CC(Cn3cc(-c4cc(C5CCCC5)nc(C5CCCNC5)c4)cn3)C2)cc1,HEKMAHFPUMCSSG-UHFFFAOYSA-N
-rxn:4:212587:223844,CCOc1ccc(S(=O)(=O)N2CC(Cn3cc(-c4ccc(S(=O)(=O)N5CCCC5)cc4C(F)(F)F)cn3)C2)cc1,UUHHSFFNNAUOAN-UHFFFAOYSA-N
-rxn:4:212593:224484,CC(C)N(C(=O)c1ccccc1-c1ccc(C(=O)N(C)C2CN(C(=O)OC(C)(C)C)C2)cn1)C(C)C,PZAHIFQMVBJLSB-UHFFFAOYSA-N
-rxn:4:212605:226212,CON=C1CCc2cc(-c3cn(C)nc3OCC3CCN(C(=O)OC(C)(C)C)C3)ccc21,OKNQUOLTTBRGLL-UHFFFAOYSA-N
-rxn:4:212607:226116,CCC(CC)C(=O)N1CCC(Oc2ncc(-c3ccc(OCC4CC4)c(C)c3)cn2)CC1,XVZRNELMUCNIAL-UHFFFAOYSA-N
-rxn:4:212608:225877,CC(=O)OC(C)(C)C(=O)N1CCCC(Oc2ncc(-c3ccc(Cl)cc3N3CCOCC3)cn2)C1,BCRRPBJIWKPLTD-UHFFFAOYSA-N
-rxn:4:212616:224571,CC(C)N1CCN(c2ccc(-c3cncc(C(=O)OCC(=O)N4CCN(c5ccccc5F)CC4)c3)cc2)CC1,GTZTYSMKQYZESA-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:4:212639:222812,CC(C)(C)OC(=O)Nc1cc(-c2cncc(CC(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)cnc1Cl,IUQJCXQKTITJAB-UHFFFAOYSA-N
-rxn:4:212639:223574,CC(C)(C)OC(=O)N1CCN(Cc2cccc(-c3cncc(CC(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c3)c2)CC1,RCEMIPIFRMGWHP-UHFFFAOYSA-N
-rxn:4:212648:223934,Cn1cc(-c2cc3ccc(F)cc3n2C(=O)OC(C)(C)C)c(OCC2CCN(C(=O)OC(C)(C)C)CC2)n1,YOMBRKBEEBAVDP-UHFFFAOYSA-N
-rxn:4:212649:225977,CCC(C)(C)C(=O)N1CCCC(COc2ncc(-c3cc(Cl)cnc3N3CCOCC3)cn2)C1,NMRVCNXNIPXTBF-UHFFFAOYSA-N
-rxn:4:212653:222426,COC(=O)c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)c(-c2ccc3c(c2)C2(CCN(C(=O)OC(C)(C)C)CC2)C(=O)N3)n1,IVHRBTGXMFTYNS-UHFFFAOYSA-N
-rxn:4:212653:223928,COC(=O)c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)c(-c2cnc3c(c2)CN(C(=O)OC(C)(C)C)CC3)n1,BASUBSXABXLRSB-UHFFFAOYSA-N
-rxn:4:212658:223946,CCN(C(=O)OC(C)(C)C)c1ccc(-c2cnc(C(=O)OC)c(N3CCN(C(=O)OC(C)(C)C)CC3)c2)c(Cl)c1,BTLZQEJRGRPQGJ-UHFFFAOYSA-N
-rxn:4:212677:222537,Cc1ccc(OCC2CCN(C(=O)Cc3ccc(-c4cc(C5CCCC5)nc(C5CCCNC5)c4)cc3)CC2)nn1,AADWBBNWARIVTR-UHFFFAOYSA-N
-rxn:4:212685:224319,COC(=O)c1ccc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(S(=O)(=O)N5CCCCC5)cc4C)cc3)CC2)c([N+](=O)[O-])c1,FZGTXCWYCXUBNM-UHFFFAOYSA-N
-rxn:4:212691:223648,CN(C(=O)c1ccc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2)nc1)C1CCN(C(=O)OC(C)(C)C)CC1,LOVAMPOEKUXKQE-UHFFFAOYSA-N
-rxn:4:212691:223940,CN(C(=O)c1ccc(-c2ccc3c(c2)OCCN3C(=O)OC(C)(C)C)nc1)C1CCN(C(=O)OC(C)(C)C)CC1,LOMINYBSQHZJCJ-UHFFFAOYSA-N
-rxn:4:212738:225312,CN1CCCN(c2ncc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)c(N4CCOCC4)c3)cn2)CC1,PCISKMBPRUJHIB-UHFFFAOYSA-N
-rxn:4:212738:225420,CCOc1c(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)c(N3CCOCC3)c2)ccc2ccccc12,FUVPVUSWUOCWPX-UHFFFAOYSA-N
-rxn:4:212738:229117,Cc1c(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)c(N3CCOCC3)c2)ccnc1Cl,DMARKCBYLXGEGY-UHFFFAOYSA-N
-rxn:4:212747:222833,CC(C)CCC(=O)Nc1cccc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3C)c(N3CCOCC3)c2)c1,LSGLBKUROOJMNT-UHFFFAOYSA-N
-rxn:4:212823:223576,COc1ccc(S(=O)(=O)N2CCN(C(=O)Cn3ccc4cc(-c5cccc(OC6CCN(C(=O)OC(C)(C)C)CC6)c5)ccc43)CC2)cc1,MLHLYGJYQHANJR-UHFFFAOYSA-N
-rxn:4:212839:223170,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4cnc(C5CCCNC5)nc4)ccn23)CC1,MFVKBWQTTZHNPR-UHFFFAOYSA-N
-rxn:4:212846:224291,CC(=O)N1CCc2c(sc3nc(SCc4ccc(-c5ccc(OCCN6CCOCC6)c(F)c5)cc4)n(Cc4ccco4)c(=O)c23)C1,SNJNBOQYMSDRBV-UHFFFAOYSA-N
-rxn:4:212927:223844,N#Cc1nc(COc2ccc(-c3ccc(S(=O)(=O)N4CCCC4)cc3C(F)(F)F)cc2)oc1N1CCOCC1,JJCIQJULWJTJGZ-UHFFFAOYSA-N
-rxn:4:212936:222812,CC(=O)OCCN1CCN(c2ccc(-c3cnc(Cl)c(NC(=O)OC(C)(C)C)c3)cn2)CC1,JLPAUMOVLPXGNR-UHFFFAOYSA-N
-rxn:4:212936:225281,CC(=O)OCCN1CCN(c2ccc(-c3cc(Cl)nc(C(=O)OC(C)(C)C)c3)cn2)CC1,JUQXRNCMXYMVOG-UHFFFAOYSA-N
-rxn:4:212966:222787,CC(C)(C)OC(=O)Nc1ccc(-c2cnc(OC3CCN(C(=O)OC(C)(C)C)C3)nc2)c(Cl)c1,VWRBCBINEPUCON-UHFFFAOYSA-N
-rxn:4:212966:223503,CC(C)(C)OC(=O)N1CCC(Oc2cc(F)c(-c3cnc(OC4CCN(C(=O)OC(C)(C)C)C4)nc3)c(F)c2)CC1,VTYSYXYDRGKVHU-UHFFFAOYSA-N
-rxn:4:212988:223671,CC(C)(C)OC(=O)N1CCN(C(=O)c2csc(-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)n2)CC1,PWKFLBBLGZYXGC-UHFFFAOYSA-N
-rxn:4:212988:223940,CC(C)(C)OC(=O)N1CCN(C(=O)c2csc(-c3ccc4c(c3)OCCN4C(=O)OC(C)(C)C)n2)CC1,WVIHLUVLYWAKHH-UHFFFAOYSA-N
-rxn:4:212989:224276,CC(C)(C)OC(=O)N1CCN(C(=O)c2cnc(-c3cn(C(=O)OC(C)(C)C)c4cccnc34)s2)CC1,CARONRQPLAUKIY-UHFFFAOYSA-N
-rxn:4:213011:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnc(OCC4CCCN(C(=O)C(C)C)C4)nc3)c(F)c2)CC1,PGFHDWVHJNIVHA-ANRZFKABSA-N
-rxn:4:213048:222729,CCCc1cc(-c2cnn(CC3CN(S(=O)(=O)c4ccc(OC)c(C)c4)C3)c2)cc(C2CCCNC2)n1,HXQAFJYWKRXGRI-UHFFFAOYSA-N
-rxn:4:213072:223506,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cccc(-c3cnn(CC4CCCN(C(=O)OC(C)(C)C)C4)c3)c2)CC1,MTFQWPZNLCZZMP-UHFFFAOYSA-N
-rxn:4:213088:227756,CC(C)(C)OC(=O)N1CCN(c2cccc(-c3c(F)cccc3C(F)(F)F)c2C#N)CC1,JYJHYOYDJPLJIE-UHFFFAOYSA-N
-rxn:4:213106:223534,COc1ccc(-c2cc(OC3CCN(C(=O)OC(C)(C)C)CC3)ncc2F)c(C(=O)N2CCCC(Oc3ccncn3)C2)c1,SHMCXIPQXKIENJ-UHFFFAOYSA-N
-rxn:4:213126:223930,Cc1cc2c(cnn2C(=O)OC(C)(C)C)cc1-c1ccc(CN2CCN(C(=O)OC(C)(C)C)CC2)cn1,VRACASZEJUKIJA-UHFFFAOYSA-N
-rxn:4:213130:223540,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1cncc(CN2CCN(C(=O)OC(C)(C)C)CC2)c1,MELRQIMXFUOKDW-UHFFFAOYSA-N
-rxn:4:213131:225172,CC(C)(C)C(=O)N1CCC(COc2ncc(-c3cc(CN4CCOCC4)ccc3F)cn2)CC1,YHKRRAQNFJYSRM-UHFFFAOYSA-N
-rxn:4:213132:226255,CCCCOc1ccc(Cl)cc1-c1cnc(OCC2CCCN(C(=O)C(C)(C)C)C2)nc1,UIFOFQMEGKULPS-UHFFFAOYSA-N
-rxn:4:213134:226437,CCC(C)(C)C(=O)N1CCC(Oc2ncc(-c3cc(C4CCCC4)ncc3F)cn2)CC1,HEFCTMAIZNLIOG-UHFFFAOYSA-N
-rxn:4:213135:222584,CC(C)(C)CC(=O)N1CCC(Oc2ncc(-c3ccc(OCCCN4CCNCC4)c(F)c3)cn2)CC1,SWHHVSAJCNLHBP-UHFFFAOYSA-N
-rxn:4:213141:222499,Cc1ccc(S(=O)(=O)NCc2ccccc2)cc1-c1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1[N+](=O)[O-],MSRHHXVWPBYGHL-UHFFFAOYSA-N
-rxn:4:213147:224320,Cc1ccc(S(=O)(=O)N2CCCCC2)cc1-c1cncc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1,WVJPLVKFEBABDV-UHFFFAOYSA-N
-rxn:4:213150:224323,Cc1cc(-c2ccc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)nc2)cc(C)c1S(=O)(=O)N1CCCC1,ZAALJNHQMHGNLJ-UHFFFAOYSA-N
-rxn:4:213150:224371,COC(=O)C1CCN(c2ncc(-c3ccc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)nc3)cn2)CC1,NFHGLKGSVXDJBZ-UHFFFAOYSA-N
-rxn:4:213178:224772,Cc1cc(C(=O)N2CCCC(COc3ncc(-c4ccc(C(=O)N5CCOCC5)cc4Cl)cn3)C2)c(C)o1,RNAMSYLYCWOEEE-UHFFFAOYSA-N
-rxn:4:213184:225898,Cc1cnc(OC2CCN(C(=O)Cc3ccc(F)cc3-c3cnn(CCN4CCOCC4)c3)CC2)nc1,NPZMQWJUIRRUTP-UHFFFAOYSA-N
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-rxn:4:213201:222699,Cc1cc(OCC2CCN(S(=O)(=O)c3ccccc3-c3ccc(C4CCCNC4)c(C(F)(F)F)c3)CC2)ncn1,WVVDZFXUVLXBTR-UHFFFAOYSA-N
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-rxn:4:213472:222787,CC(C)(C)OC(=O)Nc1ccc(-c2ccccc2C(=O)N2CCN(CCN3C(=O)c4cccc5cccc(c45)C3=O)CC2)c(Cl)c1,URGIOZHWOHXNOJ-UHFFFAOYSA-N
-rxn:4:213659:222634,CCOC(=O)C1CCCN(c2ncc(-c3ccc(OCCNC4CCCC4)c(F)c3)cn2)C1,KLYWJHGYVYHVFY-UHFFFAOYSA-N
-rxn:4:213660:224651,CCOC(=O)N1CCN(c2ccc(-c3c(F)cccc3O[Si](C)(C)C(C)(C)C)cn2)CC1,MIPRYFIMLRSWEM-UHFFFAOYSA-N
-rxn:4:213663:224305,CC(C)(C)OC(=O)N1CC(c2ncc(-c3ccc(O[Si](C)(C)C(C)(C)C)c(Cl)c3F)cn2)C1,PUMVCJHOPJHJSM-UHFFFAOYSA-N
-rxn:4:213664:224594,CCC(=O)N1CCC(Oc2ncc(-c3ccccc3C3CCCCN3C(C)=O)cn2)CC1,ZLCFKHREENLHTP-UHFFFAOYSA-N
-rxn:4:213713:225267,CCCOc1ccc(-c2cnc([C@@H]3CCCN3C(=O)OC(C)(C)C)[nH]2)c(C(F)(F)F)c1,VWUZCQIAMDICKV-SFHVURJKSA-N
-rxn:4:213737:223699,O=S(=O)(c1ccc(-c2ccc(S(=O)(=O)N3CCC(Oc4ccncn4)C3)cc2)c(C(F)(F)F)c1)N1CCOCC1,ONRYUQMJNJORLQ-UHFFFAOYSA-N
-rxn:4:213755:222790,CC(C)(C)OC(=O)Nc1cc(Cl)cc(-c2csc(N3CCN(C(=O)OC(C)(C)C)CC3)n2)c1,AHAAZPDMEHXNCB-UHFFFAOYSA-N
-rxn:4:213764:225273,CCCOc1cc(C(F)(F)F)ccc1-c1cnc(C2CCN(C(=O)OC(C)(C)C)C2)cn1,XRYLPBNGLXBNNG-UHFFFAOYSA-N
-rxn:4:213800:225720,CCOC(=O)COc1ccccc1-c1cc(C2COCCN2C(=O)OC(C)(C)C)ncn1,OCTHWIKXYPCMEN-UHFFFAOYSA-N
-rxn:4:213801:225172,CC(C)(C)OC(=O)N1CCOC(c2cncc(-c3cc(CN4CCOCC4)ccc3F)n2)C1,DWJHPVQFXBPFMU-UHFFFAOYSA-N
-rxn:4:213809:222439,O=C(c1ccccc1-c1ccc(S(=O)(=O)NC2CCCCC2)cc1C(F)(F)F)N1CCC(Oc2cnccn2)CC1,XIDVSOCHDDXSKJ-UHFFFAOYSA-N
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-rxn:4:213874:223065,CC(C)(C)OC(=O)N1CCN(c2cc(-c3ccc(N4CCNCC4)cc3F)ccn2)CC1,DHSMXMZTMVNVGA-UHFFFAOYSA-N
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-rxn:4:213875:224274,CC(C)(C)OC(=O)N1CCN(c2cccc(-c3cc4cnccc4n3C(=O)OC(C)(C)C)n2)CC1,VZLPGDRMUWZAOX-UHFFFAOYSA-N
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-rxn:4:213883:225899,Cc1cc(-c2sc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2C)n(C(=O)OC(C)(C)C)n1,MCDHUUFTGHZGBW-UHFFFAOYSA-N
-rxn:4:213938:222956,Cc1ccc(-c2ccc(S(=O)(=O)N3CCN(c4ccc(C(F)(F)F)cn4)CC3)cc2)c(C2CCCNC2)c1,XTPNZLBVTATTPF-UHFFFAOYSA-N
-rxn:4:213944:222791,CC1CN(C(=O)OC(C)(C)C)CCC1c1ncc(-c2cc(NC(=O)OC(C)(C)C)ccc2Cl)[nH]1,FYJQUZKBEFZVMZ-UHFFFAOYSA-N
-rxn:4:213960:222522,COc1ccc(-c2cccnc2N2CCC(COc3ccncc3C)CC2)cc1S(=O)(=O)N1CCC(O)CC1,JCKRLIRUSZIHEQ-UHFFFAOYSA-N
-rxn:4:213974:224160,CC(C)(C)OC(=O)N1CCCN(c2cccc(-c3ccc4c(c3)CCN4C(=O)OC(C)(C)C)n2)CC1,DNOVBMCIDKMPKF-UHFFFAOYSA-N
-rxn:4:213990:223588,Cc1cc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2C)cnc1N1CCN(C(=O)OC(C)(C)C)CC1,KRPGPBBSDIAZNQ-UHFFFAOYSA-N
-rxn:4:214011:223835,Cc1cc(F)c(-c2ccc(S(=O)(=O)n3nc(C)c(S(=O)(=O)N4CCCC4)c3C)cc2)cc1S(=O)(=O)N1CCC(C)CC1,BWWXRKZPJFIPSS-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:4:214056:225313,CC(=O)N1CCN(C2=NC(=O)C(=Cc3ccc(-c4ccccc4-c4ccc(N5CCN(C)CC5)nc4F)o3)S2)CC1,VWQDIUGKDXJOCW-UHFFFAOYSA-N
-rxn:4:214059:227321,COc1c(-c2ccc(N3CCC4(CC3)CN(C(=O)OC(C)(C)C)C4)nc2)cncc1C1CC1,BEHCCRDJZHFNFB-UHFFFAOYSA-N
-rxn:4:214065:225529,CCN(CC)Cc1ccc(-c2ccc(C(=O)n3nc(C)c(S(=O)(=O)N4CCC(C)CC4)c3C)cc2)cc1F,DVXDIMLOQSSPHL-UHFFFAOYSA-N
-rxn:4:214083:224392,Cc1ccc(S(=O)(=O)N2CCC(c3nc(-c4ccccc4-c4cc(S(=O)(=O)N5CCOCC5)ccc4C)no3)CC2)cc1C,BMZGPCOVILBGTC-UHFFFAOYSA-N
-rxn:4:214179:223534,CC(C)(C)OC(=O)N1CCC(Oc2cc(-c3ccn4cnc(C5CN(C(=O)OC(C)(C)C)C5)c4c3)c(F)cn2)CC1,VSFIZJJVFAFLMS-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:4:214201:223507,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccccc2-c2ccc(N3CC4CC(C3)N4C(=O)OC(C)(C)C)nc2)CC1,KZIXYMOCHADWOS-UHFFFAOYSA-N
-rxn:4:214201:223527,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)ccc2-c2ccc(N3CC4CC(C3)N4C(=O)OC(C)(C)C)nc2)CC1,ITBZZXUBBOTWRD-UHFFFAOYSA-N
-rxn:4:214220:223637,CC(C)(C)OC(=O)N1CCCC(c2ccccc2-c2ccc3[nH]c(C4CCCN4C(=O)OC(C)(C)C)nc3c2)C1,PRCANWHWXKFASN-UHFFFAOYSA-N
-rxn:4:214230:225128,COC(=O)C1(c2ccc(F)c(-c3cnc4c(C5=CCN(C(=O)OC(C)(C)C)CC5)c[nH]c4c3)c2)CC1,TYBZRZBIDFLGKM-UHFFFAOYSA-N
-rxn:4:214246:223599,CN(C)S(=O)(=O)c1ccc(C(=O)N=c2sc3cc(-c4cc5cc(C(F)(F)F)ccc5n4C(=O)OC(C)(C)C)ccc3n2C)cc1,YVYDIRSBMIPKLE-UHFFFAOYSA-N
-rxn:4:214328:223884,CC(C)(C)OC(=O)N1CCc2cc(-c3ccc(CN4CCC(Cn5cnc6ccccc6c5=O)CC4)cc3)ccc2C1,HNBFLQNXXDHPMQ-UHFFFAOYSA-N
-rxn:4:214342:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(C)nc4ccccc34)CC2)cc1,FPRDXKGFGSXTHS-UHFFFAOYSA-N
-rxn:4:214618:223602,CC(=O)N1CCC(Cc2cnc(-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3Cl)cn2)C1,UYQLTSJXCQQJLD-UHFFFAOYSA-N
-rxn:4:214627:223945,N#Cc1cc(-c2ccc(OCCCN3CCOCC3)c(F)c2)cnc1N1CCC(C(F)(F)F)CC1,RHXRBYHEXHDVEV-UHFFFAOYSA-N
-rxn:4:214668:223812,CCN1CCN(C(=O)c2ccc(-c3cc(F)cc(CN4CCC5(CC4)OCCO5)c3)nc2)CC1,ODHLPXGWOOHRMY-UHFFFAOYSA-N
-rxn:4:214682:222546,CCN1CCN(C(=O)c2ccc(F)c(-c3ccc(OCCNC4CCCCC4)c(F)c3)n2)CC1,BWFOWXZWYYAIAE-UHFFFAOYSA-N
-rxn:4:214752:222546,CC(C)N1CCN(C(=O)c2ccc(F)c(-c3ccc(OCCNC4CCCCC4)c(F)c3)n2)CC1,MGIRSENSQHKPIZ-UHFFFAOYSA-N
-rxn:4:214787:222645,O=C1CN(S(=O)(=O)c2ccc(-c3cccc(OCCN4CCC(O)CC4)c3)cc2)CCN1c1ccccn1,MMLLOCWPEURJLT-UHFFFAOYSA-N
-rxn:4:214792:223835,COC(C)c1ncc(N2CCN(C)CC2)cc1-c1cc(S(=O)(=O)N2CCC(C)CC2)c(C)cc1F,COWNVQGRWJOLMT-UHFFFAOYSA-N
-rxn:4:214805:225727,CCOC(=O)c1ccc(OC)c(-c2ccc(N3CCCN(S(=O)(=O)C4CC4)CC3)nc2)c1,GTAGJPXCFMLPFQ-UHFFFAOYSA-N
-rxn:4:214818:223525,CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(-c3cnc(N4CCN(C(=O)C5CCCO5)CC4)c(Cl)c3)c2)CC1,BPALZONRFIPHDV-UHFFFAOYSA-N
-rxn:4:214829:222546,O=C(C1CN(c2ncccc2-c2ccc(OCCNC3CCCCC3)c(F)c2)CCO1)N1CCSCC1,FOGZLNRPTLEFFK-UHFFFAOYSA-N
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-rxn:4:214838:227500,CCN(C)c1ncc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)c(F)c2)cc1Cl,ZVYMYKVLXFHPEU-UHFFFAOYSA-N
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-rxn:4:214875:224592,N#CC1(c2ccc(F)c(-c3cnc(N4CCCC(C(=O)N5CCSCC5)C4)c(F)c3)c2)CCCCC1,YIWKJDWUPNDMSO-UHFFFAOYSA-N
-rxn:4:214890:226299,O=C(c1cncc(-c2ccc(OCC3CC3)cc2Cl)c1)N1CCCN(C2CCSCC2)CC1,RIIDDXUOIBYNGF-UHFFFAOYSA-N
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-rxn:4:215097:225210,Cc1nc(N2CCC(C)CC2)ncc1-c1ncc2n1C(C)CN(C(=O)OC(C)(C)C)C2,AOKJYOJFHZNBJL-UHFFFAOYSA-N
-rxn:4:215103:224082,CCC(C(=O)OC(C)(C)C)c1cccc(-c2cn3c(n2)CN(C(=O)OC(C)(C)C)CCC3)c1,AYBPAFSFQKYYDT-UHFFFAOYSA-N
-rxn:4:215112:222584,CCC(=O)N1CCN(c2nc3ccc(-c4ccc(OCCCN5CCNCC5)c(F)c4)cc3s2)CC1,VEVJFWGPJNVJRF-UHFFFAOYSA-N
-rxn:4:215170:225595,O=C(c1cncc(-c2ccc(F)c(CN3CCCC3)c2)c1)N1CC(N2C(=O)C3CC=CCC3C2=O)C1,ZDRFWIGJCSYPAC-UHFFFAOYSA-N
-rxn:4:215170:225596,O=C(c1cncc(-c2ccc(Cl)c(CN3CCCC3)c2)c1)N1CC(N2C(=O)C3CC=CCC3C2=O)C1,GQBVMGRLTSUOSF-UHFFFAOYSA-N
-rxn:4:215170:228219,CC(C)c1cc(F)c(-c2cncc(C(=O)N3CC(N4C(=O)C5CC=CCC5C4=O)C3)c2)cn1,CTSKRPCLMCJFLG-UHFFFAOYSA-N
-rxn:4:215202:223679,CCN1CCN(S(=O)(=O)c2c(C)cc(-c3ccc(S(=O)(=O)N4CCC(c5nc6ccccc6[nH]5)CC4)cc3)cc2C)CC1,FKIJQJVQTNQLDA-UHFFFAOYSA-N
-rxn:4:215295:224371,COC(=O)C1CCN(c2ncc(-c3cnc4n3CCc3ccccc3C43CCN(C(=O)OC(C)(C)C)CC3)cn2)CC1,FAGNMNFZIKZSIQ-UHFFFAOYSA-N
-rxn:4:215295:224614,CN(C(=O)OC(C)(C)C)c1ccc(-c2cnc3n2CCc2ccccc2C32CCN(C(=O)OC(C)(C)C)CC2)cc1,KOSWQEWVBDGEHU-UHFFFAOYSA-N
-rxn:4:215295:225556,CC(C)(C)OC(=O)c1cccc(-c2cnc3n2CCc2ccccc2C32CCN(C(=O)OC(C)(C)C)CC2)c1,FGAGYIFGIVMEQK-UHFFFAOYSA-N
-rxn:4:215704:223790,CC(C)(C)OC(=O)N1CCCC1c1cncc(-c2cnc(N3CCOCC3)c(C#N)c2)c1,PAHMYZAJUMVRGV-UHFFFAOYSA-N
-rxn:4:215907:224379,CN1CCN(S(=O)(=O)c2ccc(-c3ccccc3S(=O)(=O)N3CCN(C)CC3)cn2)CC1,HSODOOPLXNCBSB-UHFFFAOYSA-N
-rxn:4:215914:223650,Cc1nc(N2CCC(C(F)(F)F)CC2)ncc1-c1ccccc1N1CCN(C(=O)OC(C)(C)C)CC1,DUXNSOBRDLXWJT-UHFFFAOYSA-N
-rxn:4:215974:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3ccc(N4CCC(N5CCOCC5)C4)nc3)c2)CC1,RHPAZMGTVXCULB-UHFFFAOYSA-N
-rxn:4:216267:224649,Cn1ncc(C(=O)N2CCCC3CCCCC32)c1-c1cc(F)ccc1OCC1CCCCO1,RYJNFQATNMPORW-UHFFFAOYSA-N
-rxn:4:217159:223481,CN1CCN(c2cc(-c3ccc(S(=O)(=O)N4CCC(O[Si](C)(C)C(C)(C)C)CC4)cc3F)ccn2)CC1,OOPXPAVCULKBQR-UHFFFAOYSA-N
-rxn:4:217199:223493,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1cnc(N2CCN(C)CC2)c(F)c1,GVUICVIXHYIAFX-UHFFFAOYSA-N
-rxn:4:218567:223651,Cc1nc(C2CCN(C(=O)OC(C)(C)C)C2)ccc1-c1cnc(N(C)CC2CN(C(=O)OC(C)(C)C)C2)cn1,VFWQVAPBWUDWAR-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:4:218578:225947,CN1CCN(c2ncc(-c3cnn(C4(CC#N)CCN(C(=O)OC(C)(C)C)CC4)c3)cn2)CC1,DPTJZMFVCNQWKZ-UHFFFAOYSA-N
-rxn:4:218600:224847,CC(C)(C)OC(=O)N1CCN(CCn2cc(-c3cc(C(C)(C)C)ccc3C(C)(C)C)cn2)CC1,VIXMRAZYVCSUDG-UHFFFAOYSA-N
-rxn:4:218629:225172,Cc1noc(C)c1CC(=O)N1CCCC(COc2ncc(-c3cc(CN4CCOCC4)ccc3F)cn2)C1,KKNMEWICYPFXTL-UHFFFAOYSA-N
-rxn:4:218652:223577,CN(CC1CCN(C(=O)OC(C)(C)C)CC1)c1cnc(-c2ccc(OC3CCN(C(=O)OC(C)(C)C)CC3)cc2)cn1,QCPRDINYTLDMDI-UHFFFAOYSA-N
-rxn:4:218652:224784,CN(CC1CCN(C(=O)OC(C)(C)C)CC1)c1cnc(-c2cc(OC(F)(F)F)cc3cccnc23)cn1,ZZBWWXFRYNDKFK-UHFFFAOYSA-N
-rxn:4:218652:228214,CN(CC1CCN(C(=O)OC(C)(C)C)CC1)c1cnc(-c2cnc(C3CC3)cc2F)cn1,FIHVAJGNKZOCSL-UHFFFAOYSA-N
-rxn:4:218655:223885,COc1cc(=O)n(C)cc1C(=O)N1CCC(COc2ncc(-c3ccc4c(c3)CN(C(=O)OC(C)(C)C)CC4)cn2)CC1,KWKZFLDICRZZAN-UHFFFAOYSA-N
-rxn:4:218668:223908,COc1ccc(COc2cc(Cl)ccc2-c2cccnc2OC2CCN(C(=O)CN3CCN(c4ccccc4)C3=O)C2)cc1,DWTNGFODJJPFGS-UHFFFAOYSA-N
-rxn:4:218696:228447,Cc1nn(C(C)CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c(C)c1-c1cccc(C(F)F)c1F,JWSYDICCHWMWTN-UHFFFAOYSA-N
-rxn:4:218704:223577,Cc1cc(Cl)ccc1OCC(=O)N1CCCN(c2cc(-c3ccc(-c4ccc(OC5CCN(C(=O)OC(C)(C)C)CC5)cc4)cc3)n[nH]2)CC1,QKPSLZWGIZSKDC-UHFFFAOYSA-N
-rxn:4:218705:225223,CC1CCN(c2cc(F)c(-c3ccc(-c4cc(N5CCCN(C(=O)C(C)Oc6ccc(Cl)cc6)CC5)[nH]n4)cc3)cn2)CC1,CIUGJCVNGPMJAC-UHFFFAOYSA-N
-rxn:4:218711:223777,CC(C)(C)OC(=O)N1CCN(C2CCN(c3ccc([N+](=O)[O-])cc3-c3ccc4c(c3F)CCN(C(=O)OC(C)(C)C)C4)CC2)CC1,VCLSKNQKBFVTJV-UHFFFAOYSA-N
-rxn:4:218768:227480,CCCOc1nccc(-c2cc(CCC(=O)N3Cc4cnc(N5CCOCC5)nc4C3)ccc2OC)c1Cl,SIPYEMJTTRMHDQ-UHFFFAOYSA-N
-rxn:4:218777:222612,Cc1nn(C(C)CC(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)c(C)c1-c1cc(S(=O)(=O)N2CCC(O)CC2)ccc1F,HNVLREGRTRXCAR-UHFFFAOYSA-N
-rxn:4:218777:223834,Cc1cc(-c2c(C)nn(C(C)CC(=O)N3CCN(S(=O)(=O)c4ccc5ccccc5c4)CC3)c2C)cc(C)c1S(=O)(=O)N1CCN(C)CC1,YSEPIHGSDMLUCM-UHFFFAOYSA-N
-rxn:4:218897:222584,O=C(c1ccncc1F)N1CCCC(COc2ncc(-c3ccc(OCCCN4CCNCC4)c(F)c3)cn2)C1,MGAOISQXLWPPMJ-UHFFFAOYSA-N
-rxn:4:218899:223844,N#Cc1ccc(S(=O)(=O)N2CCC(Oc3ncc(-c4ccc(S(=O)(=O)N5CCCC5)cc4C(F)(F)F)cn3)CC2)cc1,OPENCPQQYKAECK-UHFFFAOYSA-N
-rxn:4:218971:222634,Cc1nc(C)c(C(=O)N2CCC(COc3ncc(-c4ccc(OCCNC5CCCC5)c(F)c4)cn3)CC2)s1,FLJAYDLTRDTPOG-UHFFFAOYSA-N
-rxn:4:218996:223602,Cc1noc(C)c1CN1CCC(COc2ncc(-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3Cl)cn2)CC1,UUEUJWKBBKDQRL-UHFFFAOYSA-N
-rxn:4:218997:222701,Cc1noc(C)c1CN1CCCC(COc2ncc(-c3cc(C4CCCNC4)cc(C(F)(F)F)c3)cn2)C1,GIKKMHCEJXVOLE-UHFFFAOYSA-N
-rxn:4:218997:223958,CCN1CCN(C(=O)c2ccc(-c3cnc(OCC4CCCN(Cc5c(C)noc5C)C4)nc3)cc2F)CC1,ZNJZVYVKRGAXLB-UHFFFAOYSA-N
-rxn:4:219011:223590,Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1-c1cnc(N(C)C2CCN(C(=O)OC(C)(C)C)CC2)cn1,MOFLIDVBXCIMEC-UHFFFAOYSA-N
-rxn:4:219028:227991,CC1CN(C(=O)c2cnn(C)c2-c2ccc(Cl)cc2C2CC2)CCN1C(=O)OC(C)(C)C,XZURBUZWEFVCIA-UHFFFAOYSA-N
-rxn:4:219053:224651,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cncc(-c4c(F)cccc4O[Si](C)(C)C(C)(C)C)c3)cn2)CC1,YKOCQFSXDQLOAK-UHFFFAOYSA-N
-rxn:4:219061:226362,Cn1ccc(-c2cccc(-c3cnc(OC4CCCN(C(=O)C5CCN(S(C)(=O)=O)CC5)C4)nc3)c2)n1,MDCXZZNJYHRVON-UHFFFAOYSA-N
-rxn:4:219061:226383,Cn1cc(-c2cccc(-c3cnc(OC4CCCN(C(=O)C5CCN(S(C)(=O)=O)CC5)C4)nc3)c2)cn1,BQGZEZZVHBHMKO-UHFFFAOYSA-N
-rxn:4:219062:225162,Cc1nn(C(C)C)c(C)c1S(=O)(=O)N1CCC(Oc2ncccc2-c2ccc(C(=O)N3CCCC3)c(Cl)c2)C1,XZGIPCADTCSZLE-UHFFFAOYSA-N
-rxn:4:219066:226723,COC(=O)c1cnc(OC)cc1-c1cnc(OC2CCN(C(=O)C3CC(=O)N(c4ccccc4)C3)CC2)nc1,AKMBSDYRAFOECX-UHFFFAOYSA-N
-rxn:4:219079:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3ccc(-c4cc(N5CCCN(C(=O)Cc6cccc(C)c6)CC5)[nH]n4)cc3)c2)CC1,ANVQOQJQLYKLPG-UHFFFAOYSA-N
-rxn:4:219107:224970,CCC(=O)C1=C(c2ccc(-c3ccc(S[Si](C)(C)C(C)(C)C)cc3)cc2)N(C(=O)CC)n2c(C)nnc2S1,GAINNQWJCVDNGZ-UHFFFAOYSA-N
-rxn:4:219119:224082,CCC(C(=O)OC(C)(C)C)c1cccc(-c2nc3c(c(=O)n(CCC(C)C)c(=O)n3C)n2C(C)C(C)=O)c1,FCUSCBRJVCQKFD-UHFFFAOYSA-N
-rxn:4:219175:225220,CC1CCCCN1c1ncc(-c2ccc(-c3cc(C(F)(F)F)n4nc(C(=O)N(C)C5CCCCC5)cc4n3)cc2)cc1Cl,CYRVNCHRHIXJIR-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:4:219208:224566,CCC(Sc1nc2ccc(-c3ccc(C4(C(=O)OC)CCCC4)cc3)cc2c2nc3ccccc3n12)C(=O)N1CCOCC1,XKYAOSJCSVJMPJ-UHFFFAOYSA-N
-rxn:4:219242:223575,CC(C)(C)OC(=O)N1CCN(Cc2ccccc2-c2cnnn2C2CN(C(=O)OC(C)(C)C)C2)CC1,MUVLEFWGXSJPBB-UHFFFAOYSA-N
-rxn:4:219271:226663,O=[N+]([O-])c1cc(-c2ccc(N3CCSCC3)nc2)cnc1N1CCN(CC(F)(F)F)CC1,IWBJFMFNALPBMQ-UHFFFAOYSA-N
-rxn:4:219379:223784,CCN1CCN(CCOc2ccc(-c3ccc(CC(=O)N4CCC(n5nccn5)CC4)cc3)cc2F)CC1,YDDJMWFGQHYJFC-UHFFFAOYSA-N
-rxn:4:219403:225348,COC(=O)c1ccc(C(F)(F)F)cc1-c1cnn(CC2CN(C3CCN(C4CC4)C3=O)C2)c1,ODHRAUAOOJGRRN-UHFFFAOYSA-N
-rxn:4:219404:223775,COc1ccc2c(c1)c(-c1cncc(N3CCN(C(=O)OC(C)(C)C)CC3)n1)cn2C(=O)OC(C)(C)C,GGEJQRFKFDBDJV-UHFFFAOYSA-N
-rxn:4:219405:222546,CC(C)(C)OC(=O)N1CCN(c2ccnc(-c3ccc(OCCNC4CCCCC4)c(F)c3)n2)CC1,GJQGSLXDVJWHRZ-UHFFFAOYSA-N
-rxn:4:219409:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(Cn4nnc(C(=O)N5CCOCC5)c4C)cc3)c2)CC1,FWDTXORIQFKBNT-UHFFFAOYSA-N
-rxn:4:219419:222997,Cc1nc(N2CCN(C(=O)c3ccc(-c4ccc(Cl)cc4C4CCCNC4)o3)CC2)cc(C(F)(F)F)n1,VNACGGUUPFUMRX-UHFFFAOYSA-N
-rxn:4:219439:223810,Cc1cc(-c2cccc(CN3CCN(c4nccc(C(F)(F)F)n4)CC3)c2)cc(C)c1S(=O)(=O)N1CCC(C)CC1,ZXZZZLMHQYPRRZ-UHFFFAOYSA-N
-rxn:4:219456:224357,COc1nc2ccc(C(F)(F)F)cc2cc1-c1cnn(C2CCN(C(=O)OC(C)(C)C)CC2C)n1,USKMOMVEMFVYBO-UHFFFAOYSA-N
-rxn:4:219456:226511,CC1CN(C(=O)OC(C)(C)C)CCC1n1ncc(-c2cc(Cl)cnc2OCC2CC2)n1,JNBYDGKYZVZBDA-UHFFFAOYSA-N
-rxn:4:219456:226742,CC1CN(C(=O)OC(C)(C)C)CCC1n1ncc(-c2ccc(C#N)cc2C(F)(F)F)n1,UBOAVPMPNFWIHV-UHFFFAOYSA-N
-rxn:4:219457:223533,CC1CN(C(=O)OC(C)(C)C)CCC1n1cc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)cc2F)nn1,KEXKLQUMZFIBSM-UHFFFAOYSA-N
-rxn:4:219468:225093,CCCOc1c(Cl)cc(-c2cnc(OC3CCN(C(=O)N4CCOCC4)CC3)nc2)cc1OCC,SFJOTRWLPHCUNJ-UHFFFAOYSA-N
-rxn:4:219471:225728,CCCCOc1ccc(-c2cnc(SC)nc2N2CCOC(C(=O)N3CCCC3)C2)c(F)c1F,VCOHBRZCJKCYQR-UHFFFAOYSA-N
-rxn:4:219488:223526,C[C@H]1CN(C(=O)OC(C)(C)C)CCN1c1ncc(-c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cc2)cn1,GNIIKYYPHHNYFW-NRFANRHFSA-N
-rxn:4:219495:224377,CN1CCN(S(=O)(=O)c2ccc(-c3cnccc3OC3CCN(c4cc(C5CCC5)ncn4)C3)cc2)CC1,GSYGZKQSTYTHCF-UHFFFAOYSA-N
-rxn:4:219498:226236,CCCCOc1ncc(C)cc1-c1cnc(N2CCOC(C(=O)N3CCOCC3)C2)nc1OC,ZKGZYLJTNOENEI-UHFFFAOYSA-N
-rxn:4:219501:224289,CSc1ncc(-c2ccc(N(C)C(=O)OC(C)(C)C)cc2F)c(N2CCOC(C(=O)N3CCOCC3)C2)n1,AAJJLRMLRQEHCP-UHFFFAOYSA-N
-rxn:4:219534:224256,CC1CCCCN1C(=O)c1cc(-c2cncc(C(=O)N3CCC(n4nc(C5CC5)ccc4=O)CC3)c2)ccc1Cl,ZRQDFVLYWDPFTF-UHFFFAOYSA-N
-rxn:4:219543:222754,COc1ccc(C(=O)NC(C)(C)C)c(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(C)c4C#N)CC3)cc2)c1,PQEBBQXFUJHSBE-UHFFFAOYSA-N
-rxn:4:219626:223775,COc1ccc2c(c1)c(-c1ccc(C(=O)N3CCN(S(=O)(=O)c4ccc(Cl)c5nonc45)CC3)o1)cn2C(=O)OC(C)(C)C,BSBZMPJCFLXPJY-UHFFFAOYSA-N
-rxn:4:219653:225979,CC(C)(C)OC(=O)N1CCN(c2nc3ccc(-c4cnc(N5CCOCC5)c(Cl)c4)nc3s2)CC1,PRLWTJXIINOINH-UHFFFAOYSA-N
-rxn:4:219689:223577,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3cnc4ccc(N5CCN(C(=O)OC(C)(C)C)CC5)cn34)cc2)CC1,KITPKGUJRGXJBX-UHFFFAOYSA-N
-rxn:4:219689:224272,CC(C)(C)OC(=O)N1CCN(c2ccc3ncc(-c4cc5ccncc5n4C(=O)OC(C)(C)C)n3c2)CC1,KNUHPYDAFXDPMX-UHFFFAOYSA-N
-rxn:4:219707:224746,CC(=O)N1CCN(c2ccc(-c3c(Cl)cc4c(N5CCN(C(=O)OC(C)(C)C)CC5)ncnc4c3F)cn2)CC1,ULIAZOUZUDHUMX-UHFFFAOYSA-N
-rxn:4:219739:223491,Cc1cccc(-n2c(=O)c3sccc3n(Cc3nc(-c4cccc(-c5cc(N6CCN(C(=O)OC(C)(C)C)CC6)cc(C(F)(F)F)c5)c4)no3)c2=O)c1,XCHFRGUMAAHTIK-UHFFFAOYSA-N
-rxn:4:219750:225984,COc1ccc(-c2cnc(Cl)c(N3CCOCC3)c2)c(C(=O)N2CCCc3cnc(N4CCOCC4)nc32)c1,OMWMVJKPOJZZLP-UHFFFAOYSA-N
-rxn:4:219880:222730,CCCc1cc(-c2cnc(SC)nc2N2CCN(S(C)(=O)=O)CC2)cc(C2CCNCC2)n1,AHHWJLWNOKBQOG-UHFFFAOYSA-N
-rxn:4:219898:223532,Cc1ccnc(N2CCC(Oc3ccncc3-c3cc(F)cc(CN4CCN(C(=O)OC(C)(C)C)CC4)c3)C2)n1,MAXVDOCBXXQFTL-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:4:219955:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2cnc(N3CCOC(C(=O)N4CCSCC4)C3)nc2)CC1,OCKPIIHVGLOODZ-UHFFFAOYSA-N
-rxn:4:219955:224196,CCN1CCN(Cc2cc(F)cc(-c3cnc(N4CCOC(C(=O)N5CCSCC5)C4)nc3)c2)CC1,MCLHEGDVQPAYGN-UHFFFAOYSA-N
-rxn:4:219961:222588,Cc1ccc(N2CCN(C(=O)c3cccc(-c4ccc(OCCN5CCC(O)CC5)c(F)c4)c3)CC2)nn1,VKYJILNOVHTYKF-UHFFFAOYSA-N
-rxn:4:219991:225220,CC1CCCCN1c1ncc(-c2cncc(C(=O)N3CCC(N4CC(=O)N(C)C4=O)CC3)c2)cc1Cl,YLXQCKDFVFNGRG-UHFFFAOYSA-N
-rxn:4:220040:223774,COc1cccc2c1cc(-c1nc3n(n1)CCN(C(=O)OC(C)(C)C)C3)n2C(=O)OC(C)(C)C,DQYWIXNWCIVHGF-UHFFFAOYSA-N
-rxn:4:220209:222853,O=S(=O)(c1ccccc1-c1ccc(CN2CCC(O)CC2)cc1)N1CCCc2cnc(N3CCOCC3)nc21,IJLVWSQADWPODI-UHFFFAOYSA-N
-rxn:4:220209:223845,CN1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2ccccc2S(=O)(=O)N2CCCc3cnc(N4CCOCC4)nc32)CC1,HNMUCFOJFNUZEE-UHFFFAOYSA-N
-rxn:4:220414:224010,COc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1cnc(N2CCN(C)CC2)c([N+](=O)[O-])c1C,UOTNZEBALXXZEJ-UHFFFAOYSA-N
-rxn:4:220531:223532,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)cc(-c3cnc(N4CCC(c5noc6cc(F)ccc56)CC4)nc3)c2)CC1,ZJUMELVPHVSOGF-UHFFFAOYSA-N
-rxn:4:220811:223594,CN1CCN(c2ccc(-c3cc(Cl)cc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)nn2)CC1,QUCMQLGCEOFJCI-UHFFFAOYSA-N
-rxn:4:221090:222658,CCOC(=O)c1cnc(N2CCCC2)nc1Cn1cc(-c2cc(F)cc(C(=O)NC3CCCCC3)c2)cn1,DGIQCCBZWHFLCO-UHFFFAOYSA-N
-rxn:4:221090:222772,CCOC(=O)c1cnc(N2CCCC2)nc1Cn1cc(-c2ccc(Cl)c(C(=O)NC3CCCC3)c2)cn1,BHTLPACFTDQVFP-UHFFFAOYSA-N
-rxn:4:221090:224253,CCOC(=O)c1cnc(N2CCCC2)nc1Cn1cc(-c2ccc(F)c(C(=O)N3CCCCC3C)c2)cn1,ZEWFGOHCEUWWTN-UHFFFAOYSA-N
-rxn:4:221090:224734,CCOC(=O)c1cnc(N2CCCC2)nc1Cn1cc(-c2ccc(C(F)(F)F)cc2OCC2CC2)cn1,VFUNUSYCNUUTNP-UHFFFAOYSA-N
-rxn:4:221108:223059,Cc1ncn(CC(=O)N2CCC(COc3ncc(-c4ccc(N5CCNCC5)cc4Cl)cn3)CC2)c(=O)c1C,XBOYNMATPCDGIP-UHFFFAOYSA-N
-rxn:4:221114:223540,CCOc1ccc(-c2cc(S(=O)(=O)N3CCC4(CC3)OCCO4)ccc2OC)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N3CCCC3)n2)CC1,SGKCJWAWYGTIIQ-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:4:221127:223829,CCOC(=O)C1CCN(c2nc3c(S(=O)(=O)c4ccc(-c5cc(S(=O)(=O)N6CCN(CC)CC6)ccc5C)cc4)nnn3c3ccsc23)CC1,MCDGVTGMATVEAK-UHFFFAOYSA-N
-rxn:4:221178:224322,CC1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCC(COc5ccc(C6CC6)nn5)CC4)nc3)cc2)CC1,KDJGKBFLRWKNDP-UHFFFAOYSA-N
-rxn:4:221180:222584,Cc1cc(C(=O)N2CCC(COc3ncc(-c4ccc(OCCCN5CCNCC5)c(F)c4)cn3)CC2)nn1C,UMENZNCBXSYPEJ-UHFFFAOYSA-N
-rxn:4:221180:222634,Cc1cc(C(=O)N2CCC(COc3ncc(-c4ccc(OCCNC5CCCC5)c(F)c4)cn3)CC2)nn1C,ASABNFSFNPWBSI-UHFFFAOYSA-N
-rxn:4:221190:224322,CC1CCN(S(=O)(=O)c2ccc(-c3ccc(C(=O)N4CCN(c5ccc(-c6noc(C7CC7)n6)cn5)CC4)o3)cc2)CC1,MZOYYQMSGSFAHF-UHFFFAOYSA-N
-rxn:4:221205:222628,c1cc(N2CCN(CCc3ccc(-c4cc(C5CCC5)nc(C5CCCNC5)c4)cc3)CC2)nc(N2CCOCC2)n1,VUHYTEGKSAZUFJ-UHFFFAOYSA-N
-rxn:4:221214:222920,CCN(CC)C(=O)Cn1c(-c2ccc(S(=O)(=O)NC3CC3)cc2C)nc2c1c(=O)n(C)c(=O)n2C,PTXZRVIXBXTXQH-UHFFFAOYSA-N
-rxn:4:221221:222651,O=C(NC1CCCCC1)c1ccc(F)c(-c2cncc(C(=O)N3CCC(COc4ccc5nccn5n4)CC3)c2)c1,IJPQIZWSMPIOMB-UHFFFAOYSA-N
-rxn:4:221233:222634,Cc1cn2nc(OCC3CCN(C(=O)c4cncc(-c5ccc(OCCNC6CCCC6)c(F)c5)c4)CC3)ccc2n1,NJYXMNNTDMQVMG-UHFFFAOYSA-N
-rxn:4:221237:223532,Cc1[nH]c2ccccc2c1C(=O)CSc1nnc2c(=O)n(-c3ccc(-c4cc(F)cc(CN5CCN(C(=O)OC(C)(C)C)CC5)c4)cc3)ccn12,AMRXPZDNNGGAOK-UHFFFAOYSA-N
-rxn:4:221245:224666,Cc1nc2ccc(OCC3CCN(C(=O)c4cncc(-c5ccc(F)c(CN6CCN(C)CC6)c5)c4)CC3)nn2c1C,LAVVLXYLOGJKRM-UHFFFAOYSA-N
-rxn:4:221249:223578,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc4c(-c5cnc(N6CCCCC6)nc5OCc5ccccc5)cnn4c3)cc2)CC1,OIVJNUKLYQQQDL-UHFFFAOYSA-N
-rxn:4:221249:223904,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc4c(-c5cccc(C6CN(C(=O)OC(C)(C)C)C6)c5)cnn4c3)cc2)CC1,PGPYUFJOXXGOIP-UHFFFAOYSA-N
-rxn:4:221310:223591,CC(C)(C)OC(=O)N1CCN(c2ccc(F)c(-c3cnc(OCC4CCCN(c5nncs5)C4)nc3)c2)CC1,PHBMTYRVJWTTBO-UHFFFAOYSA-N
-rxn:4:221310:223689,CCN1CCN(S(=O)(=O)c2cc(-c3cnc(OCC4CCCN(c5nncs5)C4)nc3)ccc2OC)CC1,JTTKMTIGWYMUIW-UHFFFAOYSA-N
-rxn:4:221339:223591,CC(C)(C)OC(=O)N1CCN(c2ccc(F)c(-c3cnc(OCC4CCCN(c5ncccn5)C4)nc3)c2)CC1,HGOXYEXZPBDZIF-UHFFFAOYSA-N
-rxn:4:221339:223594,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)cc(-c3cnc(OCC4CCCN(c5ncccn5)C4)nc3)c2)CC1,JWQWLLUJGVNPQA-UHFFFAOYSA-N
-rxn:4:221341:223536,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cnc(OCC4CCCN(c5cnccn5)C4)nc3)cc(F)c2F)CC1,OGPAYQFHDWLHTD-UHFFFAOYSA-N
-rxn:4:221341:223591,CC(C)(C)OC(=O)N1CCN(c2ccc(F)c(-c3cnc(OCC4CCCN(c5cnccn5)C4)nc3)c2)CC1,ODKFCEJMNBBOLO-UHFFFAOYSA-N
-rxn:4:221341:223595,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(OCC4CCCN(c5cnccn5)C4)nc3)cc2F)CC1,IIHBXESLVLQGOA-UHFFFAOYSA-N
-rxn:4:221348:223595,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(OCC4CCCN(c5ncc(F)cn5)C4)nc3)cc2F)CC1,SIIDTXAYXOYSTE-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:4:221412:223886,Cc1nc(C)c(C)c(OCC2CCN(c3ncc(-c4cccc5c4CCN(C(=O)OC(C)(C)C)C5)cn3)CC2)n1,MNXRTZYRBXLUHK-UHFFFAOYSA-N
-rxn:4:221412:224162,Cc1nc(C)c(C)c(OCC2CCN(c3ncc(-c4ccc5c(c4)N(C(=O)OC(C)(C)C)CC5)cn3)CC2)n1,ITWHCJRDYDAQPK-UHFFFAOYSA-N
-rxn:4:221412:224624,Cc1nc(C)c(C)c(OCC2CCN(c3ncc(-c4cc(Cl)ccc4C(=O)OCC(C)(C)C)cn3)CC2)n1,PJINGGXINGIYMT-UHFFFAOYSA-N
-rxn:4:221419:223637,CC(C)(C)OC(=O)N1CCCC(c2ccccc2-c2cnc(N3CCC(Cn4nc(C(C)(C)C)ccc4=O)CC3)nc2)C1,UFUGZLKXAOTZMZ-UHFFFAOYSA-N
-rxn:4:221422:224817,O=C(c1cc(-c2ccccc2S(=O)(=O)N2CCOCC2)ccc1Cl)N1CCN(c2ccc(N3CCOCC3)nn2)CC1,IFPIUAXWBHVRIN-UHFFFAOYSA-N
-rxn:4:221423:223056,OC1CCN(c2ccc(-c3ccccc3CN3CCN(c4ccc(N5CCOCC5)nn4)CC3)cn2)CC1,DRNBRLXHMZKXBS-UHFFFAOYSA-N
-rxn:4:221429:222999,Clc1cc(-c2ccc(CN3CCN(c4nccc(N5CCOCC5)n4)CC3)cc2)cc(C2CCCNC2)c1,NNLJQEXXHCWUPP-UHFFFAOYSA-N
-rxn:4:221432:223832,COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1-c1cccc(C(=O)N2CCN(c3nc(C)cc(N4CCCC4)n3)CC2)c1,LRKNYGUIJYHJHX-UHFFFAOYSA-N
-rxn:4:221433:224820,Cc1cc(N2CCCC2)nc(N2CCN(C(=O)c3ccc(-c4cccc(S(=O)(=O)N5CCOCC5)c4)cc3)CC2)n1,QKAWKSKDWRDCES-UHFFFAOYSA-N
-rxn:4:221440:223140,Cc1cc(N2CCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccnc(C5CCCNC5)c4)cc3)CC2)n1,PJLWTTAOXPCDNO-UHFFFAOYSA-N
-rxn:4:221440:223170,Cc1cc(N2CCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cnc(C5CCCNC5)nc4)cc3)CC2)n1,DBNHKRWMGFFMIU-UHFFFAOYSA-N
-rxn:4:221440:227413,Cc1cc(N2CCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cnc(C5CCC5)cc4F)cc3)CC2)n1,YPBPXHBHLDUBED-UHFFFAOYSA-N
-rxn:4:221456:224071,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(-c5ccc([Si](C)(C)C)cc5)cc4)cc3)CC2)n1,DZYVMCCUMJOBHL-UHFFFAOYSA-N
-rxn:4:221499:223788,CC(C)(C)OC(=O)N1CC(Oc2ccc(-c3ccc4ccn(CC(=O)N5CCN(c6ncccn6)CC5)c4c3)cc2)C1,SARDRYMGJWBQLO-UHFFFAOYSA-N
-rxn:4:221634:223658,Cc1ccnc(N2CCN(c3ncc(-c4ccc(S(=O)(=O)N5CCOCC5)c5ccccc45)cc3C(F)(F)F)CC2)n1,YIBXWVWKEJUXFQ-UHFFFAOYSA-N
-rxn:4:221634:224396,Cc1ccnc(N2CCN(c3ncc(-c4ccc(S(=O)(=O)N5CCOCC5)c(C)c4)cc3C(F)(F)F)CC2)n1,DVEVQRSVJWOTRX-UHFFFAOYSA-N
-rxn:4:221779:223994,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1ccc(S(=O)(=O)c2nnn3c2nc(N2CCC4(CC2)OCCO4)c2ccccc23)cc1,YJIILKDSSNWEAN-UHFFFAOYSA-N
-rxn:4:221836:225165,COc1cc(-c2cnc(N3CCCN(C4=NS(=O)(=O)c5ccccc54)CC3)nc2)ccc1N1CCOCC1,CSBZFWQVLLYNDP-UHFFFAOYSA-N
-rxn:4:221933:222645,CN(C(=O)c1cncc(-c2cccc(OCCN3CCC(O)CC3)c2)c1)C1CN(c2nccnc2C#N)C1,LBDRWGFVUYPRDR-UHFFFAOYSA-N
-rxn:4:221939:223532,Cn1ncnc1CN1CCC(COc2ncc(-c3cc(F)cc(CN4CCN(C(=O)OC(C)(C)C)CC4)c3)cn2)CC1,FYPFLEUDNDENOQ-UHFFFAOYSA-N
-rxn:4:222031:225976,CN(C)c1nccc(N2CCN(c3ncc(C(F)(F)F)cc3-c3ccnc(N4CCOCC4)c3F)CC2)n1,FBGXOZKFDHZUEV-UHFFFAOYSA-N
-rxn:4:222053:223505,CCc1cc(N2CCN(c3ncc(-c4ccc(S(=O)(=O)N5CCN(C(=O)OC(C)(C)C)CC5)cc4)cn3)CC2)nc(C(C)(C)C)n1,JKWRVRWDGQONSU-UHFFFAOYSA-N
-rxn:4:222056:223480,Cc1cc(-c2cnc(N3CCN(c4cc(C(C)(C)C)nc(C5CC5)n4)CC3)nc2)cc(C)c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,QLQMNRFKEZMOMX-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:4:222108:223023,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(CNC(=O)N(C)C)cc6)cc5)no4)C3C2=O)cc1F,WDJDHCXLIMUFKW-UHFFFAOYSA-N
-rxn:4:222108:225631,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(N7CCN(C)CC7)cc6)cc5)no4)C3C2=O)cc1F,RWUXYQBVDDJDLH-UHFFFAOYSA-N
-rxn:4:222112:223489,Cc1nc2ccc(OCC3CCN(c4ncc(-c5ccc(S(=O)(=O)N6CCC(O[Si](C)(C)C(C)(C)C)CC6)cc5)cn4)CC3)nn2c1C,XMTPSYPPIFHRAO-UHFFFAOYSA-N
-rxn:4:222112:224379,Cc1nc2ccc(OCC3CCN(c4ncc(-c5ccccc5S(=O)(=O)N5CCN(C)CC5)cn4)CC3)nn2c1C,MWUALGHWEXVYTQ-UHFFFAOYSA-N
-rxn:4:222149:223845,CN1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2cnc(N3CCN(c4nccc(C(F)(F)F)n4)CC3)nc2)CC1,QXSHWWWQJNQEPB-UHFFFAOYSA-N
-rxn:4:222156:223776,CC(C)(C)OC(=O)N1CCOc2ccc(-c3cnc(N4CCN(c5ncnc(C6CC6)c5F)CC4)nc3)cc2C1,QLVVYCGVLQPDKA-UHFFFAOYSA-N
-rxn:4:222162:223540,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1cnc(N2CCN(c3cc(C4CCC4)ncn3)CC2)nc1,ZOMDEYUTIAPKIA-UHFFFAOYSA-N
-rxn:4:222167:222741,Cc1nc(C2CC2)nc(N2CCN(c3ncc(-c4cc(C5CC5)nc(C5CCCNC5)c4)cn3)CC2)c1C,WPSLMRKPTHPJEU-UHFFFAOYSA-N
-rxn:4:222167:223696,Cc1nc(C2CC2)nc(N2CCN(c3ncc(-c4ccc(S(=O)(=O)N5CCC6(CC5)OCCO6)cc4)cn3)CC2)c1C,LXTJKFNRYNDNJV-UHFFFAOYSA-N
-rxn:4:222168:223581,COC(=O)c1cccc2cc(-c3cnc(N4CCN(c5cc(C6CCOCC6)ncn5)CC4)nc3)n(C(=O)OC(C)(C)C)c12,ULJWWIRAYGKIGX-UHFFFAOYSA-N
-rxn:4:222189:223659,Cc1nnc2ccc(N3CCCN(C(=O)c4ccc(-c5cnn(CC6CCN(C(=O)OC(C)(C)C)CC6)c5)o4)CC3)nn12,MLMGQWBTOYPHSX-UHFFFAOYSA-N
-rxn:4:222302:224011,CN1CCN(S(=O)(=O)c2ccc(-c3cnc(OCC4CCCN(c5ncnc6c5ncn6C)C4)nc3)cc2F)CC1,BPGHZWCIQIGNCF-UHFFFAOYSA-N
-rxn:4:222303:223999,CC1CCN(S(=O)(=O)c2ccc(F)c(-c3cnc(OCC4CCCN(c5ncnc6c5cnn6C)C4)nc3)c2)CC1,GFPJIKCRUIAAKC-UHFFFAOYSA-N
-rxn:4:222307:224196,CCc1nnc2ccc(N3CC4CN(C(=O)c5cncc(-c6cc(F)cc(CN7CCN(CC)CC7)c6)c5)CC4C3)nn12,SYQHQLNVINNEJT-UHFFFAOYSA-N
-rxn:4:222329:224127,CCN1CCN(C(C)c2ccc(-c3cnc(N4CCN(c5nccc(N6CCCC6)n5)CC4)nc3)cc2)CC1,XZOCALKBWPYPDY-UHFFFAOYSA-N
-rxn:4:222333:223936,CC(C)(C)OC(=O)n1c(-c2cnc(N3CCN(c4ccc(N5CCOCC5)nn4)CC3)nc2)cc2c(F)cccc21,ZXUJVVUGTZUITB-UHFFFAOYSA-N
-rxn:4:222334:222623,CCC(C)c1cc(-c2cnc(N3CCN(c4nc(C)cc(N5CCCC5)n4)CC3)nc2)cc(C2CCNCC2)n1,CWMRHVXLBRJZSU-UHFFFAOYSA-N
-rxn:4:222334:222851,CCc1cc(-c2cnc(N3CCN(c4nc(C)cc(N5CCCC5)n4)CC3)nc2)cc(C2CCNCC2)n1,GVNUUENYSXOWDY-UHFFFAOYSA-N
-rxn:4:222335:222741,Cc1cc(N2CCN(c3ncc(-c4cc(C5CC5)nc(C5CCCNC5)c4)cn3)CC2)nc(N2CCCC2)n1,NCDYYFOXLAHVFU-UHFFFAOYSA-N
-rxn:4:222364:223840,COc1ccc(-c2cnc(N3CCC(Cn4nc(-n5cncn5)ccc4=O)CC3)nc2)cc1S(=O)(=O)N1CCN(C)CC1,UXEXVECRRODOSL-UHFFFAOYSA-N
-rxn:4:222387:223694,CCN1CCN(S(=O)(=O)c2cc(-c3cnc(N4CCOC(Cn5nnc6ncc(-c7cnn(C)c7)nc65)C4)nc3)c(F)cc2C)CC1,NHCCGZYGEFJYAD-UHFFFAOYSA-N
-rxn:4:222523:186199,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccccc2C(C#N)C(=O)C2CC2)c(C(F)(F)F)c1,OPJFLUJGFNXFMN-UHFFFAOYSA-N
-rxn:4:222580:204054,O=C(c1ccc(-c2ccc(S(=O)(=O)NC3CC3)c3ccccc23)o1)N1CCCN(C2CCOC2)CC1,TTWGJYQBUPQDHI-UHFFFAOYSA-N
-rxn:4:222600:199500,COC(=O)C(C(=O)OC(C)(C)C)c1ncc(-c2ccc3nc(NC(=O)OC(C)(C)C)sc3c2)cn1,BIKFAIZSUJMNOT-UHFFFAOYSA-N
-rxn:4:222613:174500,CCCNS(=O)(=O)c1ccc(-c2cc(C(=O)OC(C)(C)C)cc(-c3cc(OC)ccc3F)c2)c(C(F)(F)F)c1,ZYUAYLCCVGZDMD-UHFFFAOYSA-N
-rxn:4:222682:187968,COc1cccc(-c2ccc3c(ccn3[Si](C(C)C)(C(C)C)C(C)C)c2)c1NC(=O)OC(C)(C)C,MTYBKSVVKUUWHD-UHFFFAOYSA-N
-rxn:4:222782:186751,Cc1cc(-c2ccc(N(C(=O)C(F)(F)F)C3C=CS(=O)(=O)C3)cc2)cnc1NC(=O)OC(C)(C)C,JLGWKMNBXCSBMJ-UHFFFAOYSA-N
-rxn:4:222792:185493,COC(=O)c1ccc2c(-c3cc(NC(=O)OC(C)(C)C)ccc3F)cn(C(=O)OC(C)(C)C)c2c1,CTULDSIDMPYZDZ-UHFFFAOYSA-N
-rxn:4:223093:185107,CC(C)S(=O)(=O)Nc1cncc(-c2cnc(S(=O)(=O)C(C)C)c(C(=O)OC(C)(C)C)c2)c1,QWFABGFKLPWEMR-UHFFFAOYSA-N
-rxn:4:223521:179096,CSc1cc(-c2cccc(C(C)N3CCN(C(=O)OC(C)(C)C)CC3)c2)cc(C(F)F)c1Cl,DILLJHWFIHRPFB-UHFFFAOYSA-N
-rxn:4:223570:174194,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccccc3C(=O)CC(=O)OC(C)(C)C)c(F)ncc21,ZCADWSBZKGFHFP-UHFFFAOYSA-N
-rxn:4:223570:199857,Cc1ccc(Sc2c(C)nn(C(C)(C)C)c2OC(=O)c2cccc(-c3c(F)ncc4c3ccn4[Si](C(C)C)(C(C)C)C(C)C)c2)cc1,FTZOHOJMELYLEX-UHFFFAOYSA-N
-rxn:4:223581:187287,COC(=O)c1cccc2cc(-c3c(C)cccc3C(=O)N(C(C)C)C(C)C)n(C(=O)OC(C)(C)C)c12,UCMHVOAPWSCOPX-UHFFFAOYSA-N
-rxn:4:223582:184761,COC(=O)c1ccc2cc(-c3cccc(C(C#N)C(=O)OC(C)(C)C)c3)n(C(=O)OC(C)(C)C)c2c1,KXCZLJNTHGLKFY-UHFFFAOYSA-N
-rxn:5:176860:225833:225976,COC(=O)c1c(-c2ccnc(N3CCCCC3)c2F)ccc(OC)c1-c1ccnc(N2CCOCC2)c1F,SZNAIPSGMJCIMR-UHFFFAOYSA-N
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-rxn:5:188930:225978:226158,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccc(N3CCOCC3)nc2F)cc1-c1ccccc1N1CCCCC1,OWZYJNOSIGVCIK-UHFFFAOYSA-N
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-rxn:5:189001:225831:225935,COC(=O)C1(c2nc(-c3cc(C(C)C)nc(C(F)(F)F)c3)ccc2-c2cnc(N3CCOCC3)c(C)c2)CC1,WIMYEWMQPGRIKH-UHFFFAOYSA-N
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-rxn:5:189207:223062:229015,CC(C)c1sccc1-c1ccc(-c2cnc(C3CCNCC3)cc2F)cc1C(=O)ON1C(=O)CCC1=O,DUDDNAWZQKWWAQ-UHFFFAOYSA-N
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-rxn:5:189207:227702:223141,COC(=O)c1cnc(F)c(-c2ccc(-c3cncc(C4CCNCC4)c3)c(C(=O)ON3C(=O)CCC3=O)c2)c1,OXNNGRRYURDJTE-UHFFFAOYSA-N
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-rxn:5:189208:223061:229015,CC(C)c1sccc1-c1cc(-c2cc(C3CCNCC3)ncc2F)ccc1C(=O)ON1C(=O)CCC1=O,BWXYKKRKSYMKHR-UHFFFAOYSA-N
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-rxn:5:189208:223065:229089,CC(=O)c1sccc1-c1cc(-c2ccc(N3CCNCC3)cc2F)ccc1C(=O)ON1C(=O)CCC1=O,UMLTURUATWOJDW-UHFFFAOYSA-N
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-rxn:5:189209:229015:223064,CC(C)c1sccc1-c1cc(C(=O)ON2C(=O)CCC2=O)cc(-c2ccc(C3CCNCC3)nc2F)c1,JVNYJYHJLRDAMJ-UHFFFAOYSA-N
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-rxn:5:189210:223008:229089,CC(=O)c1sccc1-c1cccc(-c2cc(C3CCNCC3)ccc2F)c1C(=O)ON1C(=O)CCC1=O,LCKIGQJEZWWBSG-UHFFFAOYSA-N
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-rxn:5:189210:223061:229089,CC(=O)c1sccc1-c1cccc(-c2cc(C3CCNCC3)ncc2F)c1C(=O)ON1C(=O)CCC1=O,IHCQNPVVAVGJLS-UHFFFAOYSA-N
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-rxn:5:189210:223062:229089,CC(=O)c1sccc1-c1cccc(-c2cnc(C3CCNCC3)cc2F)c1C(=O)ON1C(=O)CCC1=O,MOIOKGGVOMFJLN-UHFFFAOYSA-N
-rxn:5:189210:223064:228872,COC(=O)c1sccc1-c1cccc(-c2ccc(C3CCNCC3)nc2F)c1C(=O)ON1C(=O)CCC1=O,FWGSZBGHQUTKED-UHFFFAOYSA-N
-rxn:5:189210:223065:228872,COC(=O)c1sccc1-c1cccc(-c2ccc(N3CCNCC3)cc2F)c1C(=O)ON1C(=O)CCC1=O,ROPVQMDRMFHZSP-UHFFFAOYSA-N
-rxn:5:189210:223065:229056,CC(C)n1nccc1-c1cccc(-c2ccc(N3CCNCC3)cc2F)c1C(=O)ON1C(=O)CCC1=O,HVAICSQHULPBDA-UHFFFAOYSA-N
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-rxn:5:189210:227819:225683,CCc1cc(CC)cc(-c2cccc(-c3ccc(C4CCCOC4)nc3C)c2C(=O)ON2C(=O)CCC2=O)c1,VBHZZFCRZUOHCU-UHFFFAOYSA-N
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-rxn:5:189210:228872:223001,COC(=O)c1sccc1-c1cccc(-c2cc(C3CCCNC3)ccc2F)c1C(=O)ON1C(=O)CCC1=O,OVGHSRCCTPTODU-UHFFFAOYSA-N
-rxn:5:189210:228872:223002,COC(=O)c1sccc1-c1cccc(-c2ccc(C3CCNCC3)cc2F)c1C(=O)ON1C(=O)CCC1=O,IHQIYJVYNYYRNU-UHFFFAOYSA-N
-rxn:5:189210:228872:223065,COC(=O)c1sccc1-c1cccc(-c2ccc(N3CCNCC3)cc2F)c1C(=O)ON1C(=O)CCC1=O,ROPVQMDRMFHZSP-UHFFFAOYSA-N
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-rxn:5:189210:229015:223065,CC(C)c1sccc1-c1cccc(-c2ccc(N3CCNCC3)cc2F)c1C(=O)ON1C(=O)CCC1=O,UDGADZSVVGTRDU-UHFFFAOYSA-N
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-rxn:5:189321:226464:223002,COc1ccc2c(c1-c1ccc(-c3ccc(C4CCNCC4)cc3F)c(C(=O)OC(C)(C)C)n1)OCCO2,GDDZRXJQNSTAAB-UHFFFAOYSA-N
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-rxn:5:189449:227710:225794,COC1CN(C(=O)c2cc(-c3cnc(OC4CCCCC4)nc3)ccc2-c2ccc(OS(C)(=O)=O)cc2)C1,FGBWIPUHBMKBHK-UHFFFAOYSA-N
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-rxn:5:189670:226736:226153,COc1cc(C)c(-c2ccc(-c3ccc(C(F)(F)F)cc3C#N)cc2/C=N/S(=O)C(C)(C)C)cc1C1CC1,MSUDWPOOPJVUCD-XJECJHNESA-N
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-rxn:5:189718:223439:227449,O=[N+]([O-])c1cc(-c2ccc(C3CCOCC3)s2)c(-c2cc(C(F)(F)F)[nH]n2)cc1OC1CCOCC1,YOFUUBNRHAQUKZ-UHFFFAOYSA-N
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-rxn:5:189718:229016:225880,O=[N+]([O-])c1cc(-c2cc(C3CCOCC3)ncc2F)c(-c2ccsc2C2CC2)cc1OC1CCOCC1,HXAOZCWRCDNTGT-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:5:189908:222981:227780,O=[N+]([O-])c1ccc(F)c(-c2ncc(-c3ccnc(NC4CCCCC4)c3)cc2OCC2CCCCC2)c1F,MKDBJIMAEUXFGP-UHFFFAOYSA-N
-rxn:5:189908:227103:227804,O=[N+]([O-])c1cc(-c2ncc(-c3sccc3C3CCCCC3)cc2OCC2CCCCC2)c([N+](=O)[O-])s1,DYFNMVNOWSEOIQ-UHFFFAOYSA-N
-rxn:5:189909:225464:227375,CC1CCCN(c2cccc(-c3ccc(-c4ccc(N5CCCC5)nc4)cc3CCN3CCOCC3)c2)C1,GYUPMLMVYKZIQM-UHFFFAOYSA-N
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-rxn:5:190127:228925:225436,COC1CCN(C(=O)c2cc(-c3cc(SC)cnc3F)ccc2-c2ccc(CN3CCCCC3)cc2)CC1,PKADCBHKHVPLKS-UHFFFAOYSA-N
-rxn:5:190132:223231:226855,CNC(=O)c1ccc(-c2ccc(C(=O)N3CCC(OC)CC3)c(-c3cnc(OC)cc3C(F)(F)F)c2)cc1C,XXLJNQCDZFWVGF-UHFFFAOYSA-N
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-rxn:5:190194:226794:227710,COC1CCN(Cc2cccc(-c3cnc(N4CCSCC4)nc3)c2-c2ccc(OS(C)(=O)=O)cc2)CC1,FTLQAHOBEABAKR-UHFFFAOYSA-N
-rxn:5:190194:227710:226424,COC1CCN(Cc2cccc(-c3ccc(OS(C)(=O)=O)cc3)c2-c2cc(N3CCCC(C)C3)cs2)CC1,JHZVGLAGKRNWRJ-UHFFFAOYSA-N
-rxn:5:190194:227710:226794,COC1CCN(Cc2cccc(-c3ccc(OS(C)(=O)=O)cc3)c2-c2cnc(N3CCSCC3)nc2)CC1,JGPLICHPITXSIK-UHFFFAOYSA-N
-rxn:5:190194:227710:227449,COC1CCN(Cc2cccc(-c3ccc(OS(C)(=O)=O)cc3)c2-c2ccc(C3CCOCC3)s2)CC1,WTNQWQDAEKQPTK-UHFFFAOYSA-N
-rxn:5:190194:227875:223010,COC1CCN(Cc2cccc(-c3cccc4c3CCCO4)c2-c2ccc(C3(O)CCOCC3)cc2)CC1,MIMXGDDNUFAEEV-UHFFFAOYSA-N
-rxn:5:190195:222417:225590,CC(C)c1[nH]c(=O)ncc1-c1ccc(CN(C)C2CCOCC2)cc1-c1ccc(CN2CCCC2)c(F)c1,RCRKFWJWSOBUQL-UHFFFAOYSA-N
-rxn:5:190195:223065:223113,CN(Cc1ccc(-c2ccc(N3CCNCC3)cc2F)c(-c2ccc3c(c2)C(C)(C)C(=O)N3)c1)C1CCOCC1,BAILYZOQCZGVHK-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:5:190195:227960:225834,CN(Cc1ccc(-c2ccncc2C2CCC2)c(-c2cc(N3CCCCC3)ncc2F)c1)C1CCOCC1,KQBSNBCSRHFHLN-UHFFFAOYSA-N
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-rxn:5:190196:223113:226645,CN(Cc1ccc(-c2ccc3c(c2)C(C)(C)C(=O)N3)cc1-c1ccnc(N2CCOCC2)c1)C1CCOCC1,YMNYFRWTOXXSAT-UHFFFAOYSA-N
-rxn:5:190196:225881:223113,CN(Cc1ccc(-c2ccc(C3CCOCC3)nc2F)cc1-c1ccc2c(c1)C(C)(C)C(=O)N2)C1CCOCC1,ANCSEWODPXOAKH-UHFFFAOYSA-N
-rxn:5:190197:223113:225976,CN(Cc1ccc(-c2ccnc(N3CCOCC3)c2F)cc1-c1ccc2c(c1)C(C)(C)C(=O)N2)C1CCOCC1,NFWQGVJQTOHWGN-UHFFFAOYSA-N
-rxn:5:190198:225987:227611,CN(Cc1c(-c2ccc(N3CCCS3(=O)=O)cc2)cccc1-c1ccnn1C1CCCCO1)C1CCOCC1,GKJCSZSZNWWSQB-UHFFFAOYSA-N
-rxn:5:190199:227611:225986,CN(Cc1cc(-c2ccccc2N2CCCS2(=O)=O)ccc1-c1ccnn1C1CCCCO1)C1CCOCC1,SHEOPGHPKUMBDW-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:5:190264:222990:226326,CC1CCN(C(=O)Cc2ccc(-c3cccc(C4(C#N)CC4)c3F)c(-c3ccc(N4CCC(O)CC4)cc3)c2)CC1,XSGPINZZQMZJCO-UHFFFAOYSA-N
-rxn:5:190265:227281:225449,CC1CCCN(C(=O)Cc2ccc(-c3cccc(OC4CCCCC4)c3)c(-c3cc(C#N)nc(C(C)C)c3)c2)C1,FZUZCDZBVNSXNY-UHFFFAOYSA-N
-rxn:5:190308:228114:226426,COc1cc(-c2ccc(-c3ccc(N4CCC(C)CC4)s3)c(CCN3CCCC(C)C3)c2)ccc1C#N,HFXAHCWALDQTAK-UHFFFAOYSA-N
-rxn:5:190335:227449:227415,COc1c(-c2ccc(C3CCOCC3)s2)cc(C(=O)N2CCCCC2C)cc1-c1ccc(C(C)(C)C)nc1F,YCBIEIJCVMDSHX-UHFFFAOYSA-N
-rxn:5:190335:227802:226583,COc1c(-c2ccc(CN3CCOCC3)s2)cc(C(=O)N2CCCCC2C)cc1-c1c(F)c(F)c(F)c(F)c1F,HMSDRXDREIRYII-UHFFFAOYSA-N
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-rxn:5:190337:226590:226605,COc1c(-c2ccc(OC3CCOC3)nc2)cc(C(=O)N2CCC(C)CC2)cc1-c1cc(F)c(OC(C)C)cc1F,CMGXSSIGSPIHOS-UHFFFAOYSA-N
-rxn:5:190484:226589:226058,CC(C)c1cnc(C(F)F)cc1-c1cccc(C(=O)N2CCC(c3ccccc3-c3c(C(C)C)cccc3C(C)C)S(=O)(=O)CC2)c1,OQADKBGJBXVDHL-UHFFFAOYSA-N
-rxn:5:190484:227944:226191,CC(C)(C)c1cncc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4cc(C5CCCC5)ccc4F)S(=O)(=O)CC3)c2)c1,GHWFRXFGFBJPGR-UHFFFAOYSA-N
-rxn:5:190740:225633:225849,CCOC(=O)c1cnc2c(C)cc(-c3ccc(N4CCCCCC4)nc3)cc2c1-c1cnc(N2CCCCC2)cc1F,JALVGVHSCPJLDK-UHFFFAOYSA-N
-rxn:5:190740:225655:225849,CCOC(=O)c1cnc2c(C)cc(-c3cncc(N4CCC(C)CC4)c3)cc2c1-c1cnc(N2CCCCC2)cc1F,AJDHHHKAOLPLDB-UHFFFAOYSA-N
-rxn:5:190740:225834:225980,CCOC(=O)c1cnc2c(C)cc(-c3cc(N4CCCCC4)ncc3F)cc2c1-c1cc(N2CCOCC2)ncc1F,OBDXDCDEMARJEB-UHFFFAOYSA-N
-rxn:5:190740:225976:223061,CCOC(=O)c1cnc2c(C)cc(-c3ccnc(N4CCOCC4)c3F)cc2c1-c1cc(C2CCNCC2)ncc1F,YSWAXFFAZJZGHN-UHFFFAOYSA-N
-rxn:5:190740:225982:225849,CCOC(=O)c1cnc2c(C)cc(-c3cnc(N4CCOCC4)cc3F)cc2c1-c1cnc(N2CCCCC2)cc1F,PKXBFHOJBBKZFJ-UHFFFAOYSA-N
-rxn:5:190741:225980:225834,CCOC(=O)c1cnc2c(-c3cc(N4CCOCC4)ncc3F)cc(C)cc2c1-c1cc(N2CCCCC2)ncc1F,MQEOWVWQHISDQW-UHFFFAOYSA-N
-rxn:5:190742:223006:225590,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(F)c(C4CCNCC4)c3)c2c1-c1ccc(CN2CCCC2)c(F)c1,QZAIVSBYXLLQKB-UHFFFAOYSA-N
-rxn:5:190743:223065:223061,CCOC(=O)c1cnc2c(C)c(-c3ccc(N4CCNCC4)cc3F)ccc2c1-c1cc(C2CCNCC2)ncc1F,RRLZDCCJSLCUER-UHFFFAOYSA-N
-rxn:5:190744:223064:223064,CCOC(=O)c1cnc2c(-c3ccc(C4CCNCC4)nc3F)c(C)ccc2c1-c1ccc(C2CCNCC2)nc1F,MDLSBNNMIWYJOJ-UHFFFAOYSA-N
-rxn:5:190744:223064:225655,CCOC(=O)c1cnc2c(-c3ccc(C4CCNCC4)nc3F)c(C)ccc2c1-c1cncc(N2CCC(C)CC2)c1,GHRTYEIJMPDABH-UHFFFAOYSA-N
-rxn:5:190744:225833:223056,CCOC(=O)c1cnc2c(-c3ccnc(N4CCCCC4)c3F)c(C)ccc2c1-c1ccc(N2CCC(O)CC2)nc1,GEUHSVUMEQDSQF-UHFFFAOYSA-N
-rxn:5:190744:225833:223061,CCOC(=O)c1cnc2c(-c3ccnc(N4CCCCC4)c3F)c(C)ccc2c1-c1cc(C2CCNCC2)ncc1F,UYTBJSQMDTUQJG-UHFFFAOYSA-N
-rxn:5:190744:225833:225833,CCOC(=O)c1cnc2c(-c3ccnc(N4CCCCC4)c3F)c(C)ccc2c1-c1ccnc(N2CCCCC2)c1F,RNEWYCJJQRKDHA-UHFFFAOYSA-N
-rxn:5:190832:225833:225833,CCOC(=O)c1cnc2cc(C)c(-c3ccnc(N4CCCCC4)c3F)c(C)c2c1-c1ccnc(N2CCCCC2)c1F,VMHBVCWXIAHFBO-UHFFFAOYSA-N
-rxn:5:190833:227045:227102,CC(C)(C)OC(=O)N1Cc2c(-c3cc(C(C)(C)C)ccc3F)ccc(-c3cccc(SC(C)(C)C)c3)c2C1=O,WNJAFYMABNMVBP-UHFFFAOYSA-N
-rxn:5:190833:227045:227717,CC(C)(C)OC(=O)N1Cc2c(-c3ccc(F)cc3OC(F)F)ccc(-c3cccc(SC(C)(C)C)c3)c2C1=O,PTNZOWIBEILPHK-UHFFFAOYSA-N
-rxn:5:190833:228344:227052,CC(C)(C)OC(=O)N1Cc2c(-c3ccc(SC(C)(C)C)cc3)ccc(-c3ccc(SC(F)F)cc3)c2C1=O,TYSZYGGSHZULJO-UHFFFAOYSA-N
-rxn:5:190859:228479:225445,CC(C)(C)OC(=O)N1CCc2c1ccc(-c1ccc(F)c([N+](=O)[O-])c1)c2-c1ccccc1OC1CCCCC1,KRBIFADHJBIQJY-UHFFFAOYSA-N
-rxn:5:190998:223141:225655,COC(=O)c1cc(-c2cncc(N3CCC(C)CC3)c2)ccc1N1Cc2cc(-c3cncc(C4CCNCC4)c3)ccc2OCC1=O,MOKGGNMQTBJUHU-UHFFFAOYSA-N
-rxn:5:190998:223269:227068,COC(=O)c1cc(-c2ccc(CC(C)C)cc2F)ccc1N1Cc2cc(-c3ccc(NC(C)=O)c(F)c3)ccc2OCC1=O,GONYNEGTZFBZJI-UHFFFAOYSA-N
-rxn:5:190998:226664:227376,COC(=O)c1cc(-c2cncc(N3CCCC3)c2)ccc1N1Cc2cc(-c3cc(N4CCCC4)ncc3F)ccc2OCC1=O,WXVHNFDJWIJZAU-UHFFFAOYSA-N
-rxn:5:190998:226794:228712,COC(=O)c1cc(-c2ccnn2C2CCC2)ccc1N1Cc2cc(-c3cnc(N4CCSCC4)nc3)ccc2OCC1=O,CFAFJYAYDIQFFC-UHFFFAOYSA-N
-rxn:5:191026:226910:228415,CCC(C)(C)c1ccc(-c2ccc3c(c2)N(c2ccc(C)c(-c4cc(F)ccc4C(F)F)c2)C=C(C(=O)OC)S3(=O)=O)cc1,MZDZXHILYHCBPJ-UHFFFAOYSA-N
-rxn:5:191026:227076:228313,CCC(C)c1ccc(F)c(-c2ccc3c(c2)N(c2ccc(C)c(-c4ccc(OC)nc4OC)c2)C=C(C(=O)OC)S3(=O)=O)c1,ZMNKIRBMWKUEKK-UHFFFAOYSA-N
-rxn:5:191026:227810:226709,CCC(C)c1ccc(-c2ccc3c(c2)N(c2ccc(C)c(-c4c(C)cc(C(F)(F)F)cc4C)c2)C=C(C(=O)OC)S3(=O)=O)cc1,TUJSEEDVEJRSEY-UHFFFAOYSA-N
-rxn:5:191026:227989:226149,CC#Cc1ccc(F)c(-c2ccc3c(c2)N(c2ccc(C)c(-c4ccc(OC)c(C(C)(C)C)c4)c2)C=C(C(=O)OC)S3(=O)=O)c1,AQEUONSLGCINOA-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:5:191049:226664:225980,COc1cc(N2Cc3cc(-c4cc(N5CCCC5)ncc4F)ccc3OCC2=O)c(OC)cc1-c1cc(N2CCOCC2)ncc1F,SPMABSJYPPLVLS-UHFFFAOYSA-N
-rxn:5:193226:223061:226645,O=C(c1ccc(-c2cc(C3CCNCC3)ncc2F)c(-c2ccnc(N3CCOCC3)c2)c1)N1CCOCC1,DSHUMJIVCIXVQE-UHFFFAOYSA-N
-rxn:5:193227:226047:227306,Cc1nc(OC(C)C)ccc1-c1cc(C(=O)N2CCOCC2)cc(-c2ccc(OC(F)(F)F)c(F)c2F)c1,ULHMXVWNHCVQMP-UHFFFAOYSA-N
-rxn:5:193228:228062:225943,O=C(c1cc(-c2ccc(C(=O)N3CCOCC3)s2)cc(-c2cncc3c2CCCO3)c1)N1CCSCC1,GQPUVKNWEPEHJU-UHFFFAOYSA-N
-rxn:5:193229:223062:226645,O=C(c1cccc(-c2cnc(C3CCNCC3)cc2F)c1-c1ccnc(N2CCOCC2)c1)N1CCOCC1,KXBBXSBSQUYTQW-UHFFFAOYSA-N
-rxn:5:193230:226645:223006,O=C(c1ccc(-c2ccnc(N3CCOCC3)c2)cc1-c1ccc(F)c(C2CCNCC2)c1)N1CCOCC1,JXFRBJPGIGWRJI-UHFFFAOYSA-N
-rxn:5:193230:226679:225849,O=C(c1ccc(-c2cnc(N3CCCC3)cc2F)cc1-c1cnc(N2CCCCC2)cc1F)N1CCOCC1,VBFDGEXAHAVZQD-UHFFFAOYSA-N
-rxn:5:193230:226685:226848,COc1ccc(-c2cc(-c3cnc(C4CCOCC4)nc3)ccc2C(=O)N2CCOCC2)c(C(F)(F)F)n1,PWTOKHABWJDOBB-UHFFFAOYSA-N
-rxn:5:193333:226686:223138,Cc1cnn(C2CCCCO2)c1-c1ccc(CN2CCOCC2)cc1-c1ccnc(C2CCNCC2)c1,LPVGPFMDMJANGU-UHFFFAOYSA-N
-rxn:5:193382:222956:223146,Cc1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3cccc(C4CNCCO4)c3)c2)c(C2CCCNC2)c1,ILNOIJRUPTXFEC-UHFFFAOYSA-N
-rxn:5:193382:222958:225640,Cc1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3ccnc(N4CCCCC4C)c3)c2)cc1C1CCNCC1,KUJMIZONYQYGGV-UHFFFAOYSA-N
-rxn:5:193382:222959:223062,Cc1cc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3cnc(C4CCNCC4)cc3F)c2)ccc1C1CCNCC1,LYPQHGRBJACZJH-UHFFFAOYSA-N
-rxn:5:193382:222959:228211,Cc1cc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3cc(N4CCCC4)cs3)c2)ccc1C1CCNCC1,QJFOMYBVRGIPBA-UHFFFAOYSA-N
-rxn:5:193382:222960:223061,Cc1cc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3cc(C4CCNCC4)ncc3F)c2)cc(C2CCNCC2)c1,DMYCHHXLLSXTNC-UHFFFAOYSA-N
-rxn:5:193382:222987:223008,Cc1nc(C2CCNCC2)ccc1-c1ccc(S(=O)(=O)N2CCOCC2)c(-c2cc(C3CCNCC3)ccc2F)c1,YFPJBWHXLAWTGB-UHFFFAOYSA-N
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-rxn:5:193598:225784:223062,CC1CN(C(=O)c2cc(-c3ccc(CN4CCOCC4)nc3)ccc2-c2cnc(C3CCNCC3)cc2F)CCO1,SXFHVHKJFRKCIQ-UHFFFAOYSA-N
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-rxn:5:193754:226321:226189,CC1CCN(C(=O)c2cccc(-c3ccc(SC4CCCC4)nc3)c2-c2ccc(C3CCCC3)c(F)c2)CC1,FAPVSCRKIUVDGC-UHFFFAOYSA-N
-rxn:5:193756:225591:226587,CC1CCCCN1C(=O)c1ccc(-c2cc(CN3CCCC3)ccc2F)cc1-c1cnc(OC2CCC2)cc1F,YLJLSNZVFDQNTR-UHFFFAOYSA-N
-rxn:5:193756:225613:228236,CC1CCCCN1C(=O)c1ccc(-c2ccnc(OC3CCCCC3)c2)cc1-c1ccnc(F)c1C1CC1,BUCJGYLPNVLXAT-UHFFFAOYSA-N
-rxn:5:193756:225641:225636,CC1CCN(c2cc(-c3cc(-c4ccnc(N5CCCC(C)C5)c4)ccc3C(=O)N3CCCCC3C)ccn2)CC1,XNQRMMUBGCSJAQ-UHFFFAOYSA-N
-rxn:5:193756:225653:226679,CC1CCCCN1C(=O)c1ccc(-c2ccc(N3CCCCC3C)nc2)cc1-c1cnc(N2CCCC2)cc1F,KRBDJDAYKRHNED-UHFFFAOYSA-N
-rxn:5:193756:225653:228218,CC1CCCCN1C(=O)c1ccc(-c2ccc(N3CCCCC3C)nc2)cc1-c1cc(C2CC2)ncc1F,CNAKAIDMGLALJZ-UHFFFAOYSA-N
-rxn:5:193756:225808:225806,CC1CCCCN1C(=O)c1ccc(-c2cc(OC3CCCC3)ncc2F)cc1-c1cnc(OC2CCCC2)cc1F,MMQKYLWIUNAWST-UHFFFAOYSA-N
-rxn:5:193756:225819:225938,CC1CCCCN1C(=O)c1ccc(-c2cc(C(F)(F)F)ccc2C2CC2)cc1-c1cc(C(F)(F)F)ncc1C1CC1,IIADEHSWAOVXRO-UHFFFAOYSA-N
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-rxn:5:193756:225834:223136,CC1CCCCN1C(=O)c1ccc(-c2cc(N3CCCCC3)ncc2F)cc1-c1ccncc1C1CCCNC1,MDOOQVLHFPVURX-UHFFFAOYSA-N
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-rxn:5:193756:226182:223136,CC1CCCCN1C(=O)c1ccc(-c2cccnc2C2CCCCC2)cc1-c1ccncc1C1CCCNC1,KBIHLEHWRGIRTI-UHFFFAOYSA-N
-rxn:5:193756:226324:227387,CC1CCCCN1C(=O)c1ccc(-c2cccnc2OC2CCCC2)cc1-c1ccnc(N2CCCC2)c1,NZVTXOFCRUBPGA-UHFFFAOYSA-N
-rxn:5:193756:226437:227413,CC1CCCCN1C(=O)c1ccc(-c2cc(C3CCCC3)ncc2F)cc1-c1cnc(C2CCC2)cc1F,MZJDCTBKPUOFJN-UHFFFAOYSA-N
-rxn:5:193756:226438:225653,CC1CCCCN1C(=O)c1ccc(-c2cnc(C3CCCC3)cc2F)cc1-c1ccc(N2CCCCC2C)nc1,ZUNWIQIQOZKBFZ-UHFFFAOYSA-N
-rxn:5:193756:226611:226366,CCc1ccc(C(F)(F)F)cc1-c1ccc(C(=O)N2CCCCC2C)c(-c2ccnc(N3CCCCC3)c2)c1,VDMGUVIMBCTGET-UHFFFAOYSA-N
-rxn:5:193756:226664:226844,CC1CCCCN1C(=O)c1ccc(-c2cc(N3CCCC3)ncc2F)cc1-c1ccnc(C(=O)C(F)(F)F)c1,DVXBPRQQQJAJJU-UHFFFAOYSA-N
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-rxn:5:193756:226747:225808,CCc1ncc(-c2ccc(C(=O)N3CCCCC3C)c(-c3cc(OC4CCCC4)ncc3F)c2)cc1C(F)(F)F,WYLUICFVGFNMRA-UHFFFAOYSA-N
-rxn:5:193756:226842:225834,CC1CCCCN1C(=O)c1ccc(-c2cncc(C(=O)C(F)(F)F)c2)cc1-c1cc(N2CCCCC2)ncc1F,VAOKLPICWQLKTH-UHFFFAOYSA-N
-rxn:5:193756:226842:226747,CCc1ncc(-c2cc(-c3cncc(C(=O)C(F)(F)F)c3)ccc2C(=O)N2CCCCC2C)cc1C(F)(F)F,IHGBYOBKGQAJKX-UHFFFAOYSA-N
-rxn:5:193756:226849:226437,COc1nccc(-c2ccc(C(=O)N3CCCCC3C)c(-c3cc(C4CCCC4)ncc3F)c2)c1C(F)(F)F,UBDJBCKSGFQFTI-UHFFFAOYSA-N
-rxn:5:193756:226849:226664,COc1nccc(-c2ccc(C(=O)N3CCCCC3C)c(-c3cc(N4CCCC4)ncc3F)c2)c1C(F)(F)F,DCPRWFVKBOWCIA-UHFFFAOYSA-N
-rxn:5:193756:227377:223136,CC1CCCCN1C(=O)c1ccc(-c2cncnc2C2CCCC2)cc1-c1ccncc1C1CCCNC1,OFRNTZZJEABFOY-UHFFFAOYSA-N
-rxn:5:193756:227387:226374,CC1CCCCN1C(=O)c1ccc(-c2ccnc(N3CCCC3)c2)cc1-c1cncnc1C1CCCCC1,ACKHETYFUCEVDC-UHFFFAOYSA-N
-rxn:5:193756:227702:225818,COC(=O)c1cnc(F)c(-c2ccc(C(=O)N3CCCCC3C)c(-c3ccc(C(F)(F)F)cc3C3CC3)c2)c1,SCSVMYXVZVLLLI-UHFFFAOYSA-N
-rxn:5:193756:228218:225806,CC1CCCCN1C(=O)c1ccc(-c2cc(C3CC3)ncc2F)cc1-c1cnc(OC2CCCC2)cc1F,SLUNKSJOIHVYJW-UHFFFAOYSA-N
-rxn:5:193756:228318:225674,COC(=O)c1ccncc1-c1ccc(C(=O)N2CCCCC2C)c(-c2cnc(C3CCCCC3)cc2F)c1,INQBZOPKSVQNPK-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:5:193867:223272:226592,CNC(=O)c1ccc(-c2cc(-c3cc(F)c(F)cc3OC(C)C)cc(C3(N4CCC(=O)CC4)CC3)c2)c(F)c1,NORYGBCDTDAEBM-UHFFFAOYSA-N
-rxn:5:193870:223054:223445,COc1cc[nH+]cc1-c1cc(-c2ccc(C(C)N3CCC(O)C3)s2)c(C)cc1S(=O)(=O)N1CCCCC1,ZSUNURAEQPHBHL-UHFFFAOYSA-O
-rxn:5:193872:228135:226649,CCOc1cc(C)ncc1-c1ccc(C(=O)N2CCC3(CC2)CC3)cc1-c1cccnc1N1CCOCC1,NPURRBBTCRNWJL-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:5:193912:222958:227021,Cc1ccc(-c2ccc(N3C(=O)CS(=O)C(c4ccc(-c5ccc(C6(C#N)CC6)cc5)cc4)C3=O)cc2)cc1C1CCNCC1,SMOXEQSVXQGBDF-UHFFFAOYSA-N
-rxn:5:193912:227379:225798,O=C1CS(=O)C(c2ccc(-c3ccc(OC4CCOCC4)nc3)cc2)C(=O)N1c1ccc(-c2cccnc2N2CCCC2)cc1,AZTJXMMWRLQOQL-UHFFFAOYSA-N
-rxn:5:193967:222418:228467,COC(=O)c1cc(-c2cc(-c3ccc(S(N)(=O)=O)cc3)ccc2CN2CCC3(CC2)OCCO3)c(F)s1,CNHQISPHEBTUQN-UHFFFAOYSA-N
-rxn:5:193972:226920:226737,Cc1cc(-c2cc(C(C)(C)C)ccc2C)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc(C(F)(F)F)c(C#N)c1,AFCXWCCTRAYMBZ-UHFFFAOYSA-N
-rxn:5:194688:227684:223065,COc1cc(-c2ccc(N3CCNCC3)cc2F)cc2c1OCC(=O)N(c1ccc(-c3cnn(CC4OCCO4)c3)cc1)C2,BNVDVCLVTHKXII-UHFFFAOYSA-N
-rxn:5:194733:225928:223281,Cc1ccc(-c2ccc(-c3ccc(C4(O)COC4)nc3)c(C(=O)N3C4CCC3CC(=C3CC3)C4)c2)cc1S(=O)(=O)N(C)C,AEFVWRMVUIHPOS-UHFFFAOYSA-N
-rxn:5:194767:223141:226366,O=C1OC2(CCCN(C(=O)c3cc(-c4cncc(C5CCNCC5)c4)ccc3-c3ccnc(N4CCCCC4)c3)C2)c2ccccc21,IBDLHZZCBGUPCN-UHFFFAOYSA-N
-rxn:5:194767:225982:223065,O=C1OC2(CCCN(C(=O)c3cc(-c4cnc(N5CCOCC5)cc4F)ccc3-c3ccc(N4CCNCC4)cc3F)C2)c2ccccc21,WBVOZBGXJBMAOK-UHFFFAOYSA-N
-rxn:5:194767:226855:227869,COc1cc(C(F)(F)F)c(-c2ccc(-c3ccc4c(c3)CC(C)O4)c(C(=O)N3CCCC4(C3)OC(=O)c3ccccc34)c2)cn1,ONSCMEMWGWHYSI-UHFFFAOYSA-N
-rxn:5:194767:227656:226029,CCOc1c(F)c(F)c(-c2ccc(-c3cc(N4CCOCC4)cs3)cc2C(=O)N2CCCC3(C2)OC(=O)c2ccccc23)c(F)c1F,VVMHFWPRIHQLDR-UHFFFAOYSA-N
-rxn:5:194782:226154:226980,COc1cc(C(C)(C)C)ccc1-c1ccc(-c2cccc3c2C(=O)CCC3)c(C(=O)N2CCC3(CC2)CC(=O)c2ccccc2O3)c1,WZOABFRFRLRZLV-UHFFFAOYSA-N
-rxn:5:194782:226919:228473,O=C1CC2(CCN(C(=O)c3cc(-c4cccc(C5CCCC5)c4)ccc3-c3cc([N+](=O)[O-])ccc3F)CC2)Oc2ccccc21,HUNFJEJWWGLDJZ-UHFFFAOYSA-N
-rxn:5:194782:227361:223013,COC(=O)c1ccc2cc(-c3ccc(-c4cc(OC)c(C)cc4OC)cc3C(=O)N3CCC4(CC3)CC(=O)c3ccccc3O4)[nH]c2c1,ZNPNLCTZPIZHCJ-UHFFFAOYSA-N
-rxn:5:194791:226711:226335,N#Cc1cc(-c2ccc(C3OC4(C(=O)c5ccccc5C4=O)C4C(=O)N(c5ccccc5-c5ccc6cnn(C(F)F)c6c5)C(=O)C34)cc2)ccc1C1COC1,GFIOHLWJSXBXAU-UHFFFAOYSA-N
-rxn:5:194791:228923:228176,COCc1ccc(-c2ccc(C3OC4(C(=O)c5ccccc5C4=O)C4C(=O)N(c5ccccc5-c5c(SC)ccnc5F)C(=O)C34)cc2)cc1F,DWWOTZVWCSMXSR-UHFFFAOYSA-N
-rxn:5:194792:227657:228320,COC(=O)c1cc(-c2ccc(N3C(=O)C4C(c5ccc(-c6ccc(N7CCOCC7)s6)cc5)OC5(C(=O)c6ccccc6C5=O)C4C3=O)cc2)ccn1,ZLOCNJCKAWYKTG-UHFFFAOYSA-N
-rxn:5:194792:227894:229082,CN(C)c1csc(-c2ccc(N3C(=O)C4C(c5ccc(-c6cccc(/C=C/C#N)c6)cc5)OC5(C(=O)c6ccccc6C5=O)C4C3=O)cc2)c1,CUKADSTUQGRUSS-SOFGYWHQSA-N
-rxn:5:196789:223061:223056,O=C1COCCN1c1ccc(-c2cc(C3CCNCC3)ncc2F)cc1-c1ccc(N2CCC(O)CC2)nc1,CFAXDPCALYEQHS-UHFFFAOYSA-N
-rxn:5:196789:225978:223006,O=C1COCCN1c1ccc(-c2ccc(N3CCOCC3)nc2F)cc1-c1ccc(F)c(C2CCNCC2)c1,IDTQAIFURJIKJB-UHFFFAOYSA-N
-rxn:5:196789:226679:223065,O=C1COCCN1c1ccc(-c2cnc(N3CCCC3)cc2F)cc1-c1ccc(N2CCNCC2)cc1F,CXNSHISLFYTPFM-UHFFFAOYSA-N
-rxn:5:196791:225976:226794,O=C1COCCN1c1cccc(-c2ccnc(N3CCOCC3)c2F)c1-c1cnc(N2CCSCC2)nc1,CLRVYRNBBLQWGN-UHFFFAOYSA-N
-rxn:5:196791:225980:225980,O=C1COCCN1c1cccc(-c2cc(N3CCOCC3)ncc2F)c1-c1cc(N2CCOCC2)ncc1F,RIQQAFQAYYUTOJ-UHFFFAOYSA-N
-rxn:5:196793:225622:226137,CC(C)c1ncc(C2CC2)cc1-c1cc(N2CCOCC2=O)ccc1-c1ccccc1OC1CCCCO1,GBFFURXPHSRQTN-UHFFFAOYSA-N
-rxn:5:196859:226652:225986,Cc1cc(-c2c(C3CCOCC3)ccnc2-c2ccccc2N2CCCS2(=O)=O)n(C2CCCCO2)n1,FBCDXPVPDXRSJU-UHFFFAOYSA-N
-rxn:5:196970:223134:225832,Cc1nn(C2CCCCO2)c(C)c1-c1nccc(C2CCCCC2)c1-c1cnccc1C1CCCNC1,WTTQYIOQKJADOM-UHFFFAOYSA-N
-rxn:5:196977:223147:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(N2CCCCC2)ccc1-c1ccc(C2CNCCO2)cc1,ZDZDQMYCANVLGJ-UHFFFAOYSA-N
-rxn:5:196978:225588:223000,Fc1cc(-c2cc(-c3ccccc3CN3CCSCC3)ccc2N2CCCCC2)ccc1C1CCCNC1,FQTPBAOVDOVKAO-UHFFFAOYSA-N
-rxn:5:197876:223008:227817,CC(C)Cc1ccccc1-c1cc2c(cc1-c1cc(C3CCNCC3)ccc1F)S(=O)(=O)N(C(C)(C)C)C2=O,ITKGJSZSKPQHID-UHFFFAOYSA-N
-rxn:5:197876:223082:228969,CNS(=O)(=O)c1c(C)cc(-c2cc3c(cc2-c2cscc2C(F)(F)F)C(=O)N(C(C)(C)C)S3(=O)=O)cc1C,ACXFQWZIUUUKBF-UHFFFAOYSA-N
-rxn:5:197876:223192:228260,CNS(=O)(=O)c1cc(-c2cc3c(cc2-c2cccc(C(C)(F)F)c2)C(=O)N(C(C)(C)C)S3(=O)=O)ccc1F,VJWKPZFQOFRJLR-UHFFFAOYSA-N
-rxn:5:197876:223202:226762,CSc1cc(-c2cc3c(cc2-c2ccc(C4(O)CCC4)cc2)S(=O)(=O)N(C(C)(C)C)C3=O)cc(C(F)(F)F)c1,ONPAXASKXCMRKI-UHFFFAOYSA-N
-rxn:5:197876:223202:226847,CSc1ncc(C(F)(F)F)cc1-c1cc2c(cc1-c1ccc(C3(O)CCC3)cc1)S(=O)(=O)N(C(C)(C)C)C2=O,YHLLAYLNZIAFIX-UHFFFAOYSA-N
-rxn:5:197876:223202:227079,CC(C)Cc1ccc(F)c(-c2cc3c(cc2-c2ccc(C4(O)CCC4)cc2)S(=O)(=O)N(C(C)(C)C)C3=O)c1,KDOKDDFGKTWSOQ-UHFFFAOYSA-N
-rxn:5:197876:225395:228263,CC(C)(C)c1cc(-c2cc3c(cc2-c2ccc(C(C)(F)F)cc2)C(=O)N(C(C)(C)C)S3(=O)=O)cc(C2CC2)c1,WLPXSNCBNYNJFE-UHFFFAOYSA-N
-rxn:5:197876:225438:228261,CSc1ccc(F)c(C)c1-c1cc2c(cc1-c1ccc(C(C)N3CCCC3)cc1)S(=O)(=O)N(C(C)(C)C)C2=O,REGVLGXSCPKZOL-UHFFFAOYSA-N
-rxn:5:197876:225451:226762,CSc1cc(-c2cc3c(cc2-c2ccc(SC4CCCCC4)cc2)S(=O)(=O)N(C(C)(C)C)C3=O)cc(C(F)(F)F)c1,SMXMROLHHKEMTA-UHFFFAOYSA-N
-rxn:5:197876:225498:228587,Cc1cc(C#N)cc(-c2cc3c(cc2-c2cc(C4CCCCC4)ccc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,VDZDXEPFCQAKOS-UHFFFAOYSA-N
-rxn:5:197876:225498:228588,CC#Cc1cc(-c2cc3c(cc2-c2cc(C4CCCCC4)ccc2F)S(=O)(=O)N(C(C)(C)C)C3=O)ccn1,AFCWCBJWKHVMSS-UHFFFAOYSA-N
-rxn:5:197876:225499:228791,CSc1ccc(-c2cc3c(cc2-c2ccc(C4CCCCC4)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c(F)c1,KHXJCXQFQVXEOL-UHFFFAOYSA-N
-rxn:5:197876:225514:226589,CC(C)c1cnc(C(F)F)cc1-c1cc2c(cc1-c1cccc3c1OCC1(CC1)CO3)S(=O)(=O)N(C(C)(C)C)C2=O,FNIUNKVMQLYMHA-UHFFFAOYSA-N
-rxn:5:197876:225592:227830,CC1(c2ccc(-c3cc4c(cc3-c3cc(F)ccc3CN3CCCC3)S(=O)(=O)N(C(C)(C)C)C4=O)cc2)CC1,SPUYGZQXOCSOBW-UHFFFAOYSA-N
-rxn:5:197876:225601:226914,Cc1cc(CC(C)C)ccc1-c1cc2c(cc1-c1ccc(C3(C#N)CCC3)cc1F)S(=O)(=O)N(C(C)(C)C)C2=O,HRNDTJRESMUHSD-UHFFFAOYSA-N
-rxn:5:197876:225601:227084,Cc1nc(C(C)(C)C)ccc1-c1cc2c(cc1-c1ccc(C3(C#N)CCC3)cc1F)S(=O)(=O)N(C(C)(C)C)C2=O,NCCYPCKQMPGGMP-UHFFFAOYSA-N
-rxn:5:197876:225601:228754,CSc1ncc(-c2cc3c(cc2-c2ccc(C4(C#N)CCC4)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1C,XWKXINWLXUYVJJ-UHFFFAOYSA-N
-rxn:5:197876:225602:226079,CC(C)c1ccc2sc(-c3cc4c(cc3-c3cc(C5(C#N)CCC5)ccc3F)S(=O)(=O)N(C(C)(C)C)C4=O)cc2c1,WGHAOQVMNKLDCT-UHFFFAOYSA-N
-rxn:5:197876:225603:228567,CCC(C)c1sccc1-c1cc2c(cc1-c1cccc(C3(C#N)CCC3)c1F)S(=O)(=O)N(C(C)(C)C)C2=O,DQUMLQVHEOBOQM-UHFFFAOYSA-N
-rxn:5:197876:225671:228750,CC(=O)c1cncc(-c2cc3c(cc2-c2cc(C4CCCCC4)ncc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,NZWLAWUVHVRYHQ-UHFFFAOYSA-N
-rxn:5:197876:225671:229169,CC(C)(C)N1C(=O)c2cc(-c3cscc3C(F)F)c(-c3cc(C4CCCCC4)ncc3F)cc2S1(=O)=O,LJOUZUJBKMNSQU-UHFFFAOYSA-N
-rxn:5:197876:225679:227925,CC(C)Oc1cccc(-c2cc3c(cc2-c2ccc(N4CCCCC4)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,VPOIICUPHMYOMO-UHFFFAOYSA-N
-rxn:5:197876:225706:226149,COc1ccc(-c2cc3c(cc2-c2cc4ncn(C(C)C)c4cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1C(C)(C)C,KNLIQGMDAJWZPZ-UHFFFAOYSA-N
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-rxn:5:197876:225816:227839,Cc1cccc(C2CC2)c1-c1cc2c(cc1-c1cc(C3CC3)ccc1C(F)(F)F)S(=O)(=O)N(C(C)(C)C)C2=O,IGVKJOXGBQZTBF-UHFFFAOYSA-N
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-rxn:5:197876:226031:227304,Cc1cc(OC(C)C)ncc1-c1cc2c(cc1-c1ccc(C(F)(F)F)cc1C(F)F)S(=O)(=O)N(C(C)(C)C)C2=O,RZVCPCSOQIDYNZ-UHFFFAOYSA-N
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-rxn:5:197876:226085:226132,Cc1cc(C2(C#N)CC2)ccc1-c1cc2c(cc1-c1ccc3c(c1)CCC(C)(C)O3)S(=O)(=O)N(C(C)(C)C)C2=O,UWSGFPTXKBPYFS-UHFFFAOYSA-N
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-rxn:5:197876:226326:227821,CCc1c(C)cc(C)cc1-c1cc2c(cc1-c1cccc(C3(C#N)CC3)c1F)S(=O)(=O)N(C(C)(C)C)C2=O,AYAXTBLSYMDHTJ-UHFFFAOYSA-N
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-rxn:5:197876:226437:227331,CC(C)Oc1cccc(F)c1-c1cc2c(cc1-c1cc(C3CCCC3)ncc1F)S(=O)(=O)N(C(C)(C)C)C2=O,CTLITKGDXQBGFW-UHFFFAOYSA-N
-rxn:5:197876:226437:228261,CSc1ccc(F)c(C)c1-c1cc2c(cc1-c1cc(C3CCCC3)ncc1F)S(=O)(=O)N(C(C)(C)C)C2=O,GQSYTAKBJQRBBA-UHFFFAOYSA-N
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-rxn:5:197876:226664:226914,Cc1cc(CC(C)C)ccc1-c1cc2c(cc1-c1cc(N3CCCC3)ncc1F)S(=O)(=O)N(C(C)(C)C)C2=O,YYYPPAUDKCVHDX-UHFFFAOYSA-N
-rxn:5:197876:226709:226915,Cc1cc(C(F)(F)F)cc(C)c1-c1cc2c(cc1-c1ccc(C3CCCC3)cc1)C(=O)N(C(C)(C)C)S2(=O)=O,ICDKDZRIZDHBBW-UHFFFAOYSA-N
-rxn:5:197876:226709:227872,Cc1cc(C(F)(F)F)cc(C)c1-c1cc2c(cc1-c1ccc3c(c1)CCC3=O)C(=O)N(C(C)(C)C)S2(=O)=O,YGMAUJFZZOIRIK-UHFFFAOYSA-N
-rxn:5:197876:226710:227838,Cc1ccc(C2CC2)c(-c2cc3c(cc2-c2ccc(F)c([Si](C)(C)C)c2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,OAYOMNQFAMUBCG-UHFFFAOYSA-N
-rxn:5:197876:226736:227810,CCC(C)c1ccc(-c2cc3c(cc2-c2ccc(C(F)(F)F)cc2C#N)S(=O)(=O)N(C(C)(C)C)C3=O)cc1,WVEPDWNDEZVXEW-UHFFFAOYSA-N
-rxn:5:197876:226745:226916,CCc1ncc(C(F)(F)F)cc1-c1cc2c(cc1-c1cccc(C3=CCCC3)c1)C(=O)N(C(C)(C)C)S2(=O)=O,FOJSLGLBZVAOMH-UHFFFAOYSA-N
-rxn:5:197876:226762:228223,CSc1cc(-c2cc3c(cc2-c2ccc(C4CC4)nc2F)C(=O)N(C(C)(C)C)S3(=O)=O)cc(C(F)(F)F)c1,VGWQRYKZRQWSKW-UHFFFAOYSA-N
-rxn:5:197876:226763:226762,COC(=O)c1c(F)cc(-c2cc3c(cc2-c2cc(SC)cc(C(F)(F)F)c2)C(=O)N(C(C)(C)C)S3(=O)=O)cc1F,GGKZMWSAGMAZRM-UHFFFAOYSA-N
-rxn:5:197876:226767:228107,CCC(C)c1ncncc1-c1cc2c(cc1-c1cc(OC)ccc1C(F)(F)F)S(=O)(=O)N(C(C)(C)C)C2=O,DGKZSGTXLMIHRU-UHFFFAOYSA-N
-rxn:5:197876:226767:228562,CCC(C)c1csc(-c2cc3c(cc2-c2cc(OC)ccc2C(F)(F)F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,HXMYIFKUJVDFGM-UHFFFAOYSA-N
-rxn:5:197876:226768:226974,CSc1ccc(-c2cc3c(cc2-c2ccc4c(c2)COC4(C)C)C(=O)N(C(C)(C)C)S3(=O)=O)cc1C(F)(F)F,IJFCIAJSDPAZPO-UHFFFAOYSA-N
-rxn:5:197876:226826:227935,CCc1cc(-c2cc3c(cc2-c2cc(C)cc(C(F)(F)F)c2F)S(=O)(=O)N(C(C)(C)C)C3=O)ccc1OC,KUPGHQNDVYYHEQ-UHFFFAOYSA-N
-rxn:5:197876:226827:226922,Cc1cc(C2CC2)cc(C)c1-c1cc2c(cc1-c1ccc(C(F)(F)F)c(C)c1F)S(=O)(=O)N(C(C)(C)C)C2=O,IDZOUCOWJYAUQW-UHFFFAOYSA-N
-rxn:5:197876:226835:229015,CC(C)c1sccc1-c1cc2c(cc1-c1cc(C(F)(F)F)nn1C(C)C)S(=O)(=O)N(C(C)(C)C)C2=O,UGAMYRSTSREXFQ-UHFFFAOYSA-N
-rxn:5:197876:226839:227102,CC(C)(C)c1ccc(F)c(-c2cc3c(cc2-c2cc(C(F)(F)F)ncc2C#N)S(=O)(=O)N(C(C)(C)C)C3=O)c1,CZEVHCUEXSGBCV-UHFFFAOYSA-N
-rxn:5:197876:226848:227910,CCC(C)c1ccc(-c2cc3c(cc2-c2ccc(OC)nc2C(F)(F)F)S(=O)(=O)N(C(C)(C)C)C3=O)cn1,MLMKXCGTQFDGDQ-UHFFFAOYSA-N
-rxn:5:197876:226876:228564,CCC(C)c1ccc(-c2cc3c(cc2-c2ccc(F)cc2OC(F)(F)F)S(=O)(=O)N(C(C)(C)C)C3=O)s1,RQTURBBGDLZZMD-UHFFFAOYSA-N
-rxn:5:197876:226883:227812,CC(C)Cc1cccc(-c2cc3c(cc2-c2c(F)ccc(C(F)(F)F)c2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,ANGGASIVLVLTTC-UHFFFAOYSA-N
-rxn:5:197876:226883:227926,CC(C)Sc1ccc(-c2cc3c(cc2-c2c(F)ccc(C(F)(F)F)c2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1,LMKKYDOFFZNVRH-UHFFFAOYSA-N
-rxn:5:197876:226884:223113,CC1(C)C(=O)Nc2ccc(-c3cc4c(cc3-c3c(F)cc(C(F)(F)F)cc3F)S(=O)(=O)N(C(C)(C)C)C4=O)cc21,OESRPTQYJDGXAC-UHFFFAOYSA-N
-rxn:5:197876:226891:227823,CC(C)(C)c1ccccc1-c1cc2c(cc1-c1cc(C(F)(F)F)cc(F)c1F)S(=O)(=O)N(C(C)(C)C)C2=O,ZBMOYNYZXZIETB-UHFFFAOYSA-N
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-rxn:5:197876:226910:227788,CCC(C)(C)c1ccc(-c2cc3c(cc2-c2cc(C(F)(F)F)cnc2F)C(=O)N(C(C)(C)C)S3(=O)=O)cc1,GVOVMWYENIBPIF-UHFFFAOYSA-N
-rxn:5:197876:226913:226031,CCc1cc(-c2cc3c(cc2-c2ccc(C(F)(F)F)cc2C(F)F)C(=O)N(C(C)(C)C)S3(=O)=O)cc(C2CC2)c1,PBJLDKLFMOQMGB-UHFFFAOYSA-N
-rxn:5:197876:226920:223202,Cc1ccc(C(C)(C)C)cc1-c1cc2c(cc1-c1ccc(C3(O)CCC3)cc1)C(=O)N(C(C)(C)C)S2(=O)=O,CTVOKVXZJBFHBA-UHFFFAOYSA-N
-rxn:5:197876:226920:226320,Cc1ccc(C(C)(C)C)cc1-c1cc2c(cc1-c1cc(C3(C#N)CC3)ccc1F)C(=O)N(C(C)(C)C)S2(=O)=O,OFFFYBFCZZZLQV-UHFFFAOYSA-N
-rxn:5:197876:226973:227319,CC(C)Cc1cc(-c2cc3c(cc2-c2ccc4c(c2)C(C)(C)CO4)S(=O)(=O)N(C(C)(C)C)C3=O)c(F)cn1,YBFGPTFEFHABJL-UHFFFAOYSA-N
-rxn:5:197876:226973:227531,COC(=O)c1cc(F)cc(-c2cc3c(cc2-c2ccc4c(c2)C(C)(C)CO4)S(=O)(=O)N(C(C)(C)C)C3=O)c1,MCBXCLZGBULPFN-UHFFFAOYSA-N
-rxn:5:197876:227018:226325,CC(C)(C#N)c1ccc(-c2cc3c(cc2-c2ccc(C(C)(C)C#N)cc2F)C(=O)N(C(C)(C)C)S3(=O)=O)cc1,PDZZWCLMYGTWRN-UHFFFAOYSA-N
-rxn:5:197876:227018:227120,CC(C)(C#N)c1ccc(-c2cc3c(cc2-c2ccc(C4CCC4)cc2F)C(=O)N(C(C)(C)C)S3(=O)=O)cc1,YDIGXZOFUAPNTQ-UHFFFAOYSA-N
-rxn:5:197876:227045:227106,Cc1cc(F)c(-c2cc3c(cc2-c2cccc(SC(C)(C)C)c2)S(=O)(=O)N(C(C)(C)C)C3=O)cc1C1CC1,ITDAOKLJFSLTAH-UHFFFAOYSA-N
-rxn:5:197876:227048:226412,CC(C)C(=O)c1ccc(-c2cc3c(cc2-c2cc(F)cc(N4CCCC4)c2)C(=O)N(C(C)(C)C)S3(=O)=O)cc1,IPGUJLWNGYMUQY-UHFFFAOYSA-N
-rxn:5:197876:227052:227117,Cc1cc(C2CC2)cc(-c2cc3c(cc2-c2ccc(SC(C)(C)C)cc2)S(=O)(=O)N(C(C)(C)C)C3=O)c1F,MYHYGXMCWHADKV-UHFFFAOYSA-N
-rxn:5:197876:227068:226062,CC(C)Cc1ccc(-c2cc3c(cc2-c2cc(C(C)C)cc(C(C)C)c2)C(=O)N(C(C)(C)C)S3(=O)=O)c(F)c1,SCEUUAHOLXFITJ-UHFFFAOYSA-N
-rxn:5:197876:227068:226371,Cc1cc(N2CCCC2)ncc1-c1cc2c(cc1-c1ccc(CC(C)C)cc1F)S(=O)(=O)N(C(C)(C)C)C2=O,NERKEBMCTDNFCO-UHFFFAOYSA-N
-rxn:5:197876:227068:227560,COc1ccc(-c2cc3c(cc2-c2ccc(CC(C)C)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1C(F)F,BRKXUAWVLUBNSA-UHFFFAOYSA-N
-rxn:5:197876:227076:226154,CCC(C)c1ccc(F)c(-c2cc3c(cc2-c2ccc(C(C)(C)C)cc2OC)C(=O)N(C(C)(C)C)S3(=O)=O)c1,VYCJWOMDDGANJA-UHFFFAOYSA-N
-rxn:5:197876:227076:227330,CCC(C)c1ccc(F)c(-c2cc3c(cc2-c2ccc(C(=O)OC)cc2C)C(=O)N(C(C)(C)C)S3(=O)=O)c1,YNOYQTUPPGJKPC-UHFFFAOYSA-N
-rxn:5:197876:227079:226133,Cc1c(C#N)cc(C2CC2)cc1-c1cc2c(cc1-c1cc(CC(C)C)ccc1F)S(=O)(=O)N(C(C)(C)C)C2=O,FPQSWQVMWYAXOJ-UHFFFAOYSA-N
-rxn:5:197876:227102:223266,CNC(=O)c1ccc(F)cc1-c1cc2c(cc1-c1cc(C(C)(C)C)ccc1F)S(=O)(=O)N(C(C)(C)C)C2=O,PLWQKNAELWFLMH-UHFFFAOYSA-N
-rxn:5:197876:227102:227385,Cc1nc(C(C)(C)C)ncc1-c1cc2c(cc1-c1cc(C(C)(C)C)ccc1F)S(=O)(=O)N(C(C)(C)C)C2=O,GUCPOILYDZORHN-UHFFFAOYSA-N
-rxn:5:197876:227102:228200,CC(C)(C)c1ccc(F)c(-c2cc3c(cc2-c2ccnn2C2CCCC2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,ABSLTRIAFYDTPX-UHFFFAOYSA-N
-rxn:5:197876:227106:227059,COc1ccc(-c2cc3c(cc2-c2cc(C4CC4)c(C)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1C(C)C,QLBNBFPITDDSNM-UHFFFAOYSA-N
-rxn:5:197876:227117:226918,Cc1cc(C2CC2)cc(-c2cc3c(cc2-c2ccc(C4=CCCC4)cc2)C(=O)N(C(C)(C)C)S3(=O)=O)c1F,GDNBCXUYHUWFOZ-UHFFFAOYSA-N
-rxn:5:197876:227117:227113,Cc1cc(F)c(C2CC2)cc1-c1cc2c(cc1-c1cc(C3CC3)cc(C)c1F)S(=O)(=O)N(C(C)(C)C)C2=O,UUXPLGACCUESIS-UHFFFAOYSA-N
-rxn:5:197876:227124:223202,CC(C)(C)c1ccc(-c2cc3c(cc2-c2ccc(C4(O)CCC4)cc2)C(=O)N(C(C)(C)C)S3(=O)=O)c(F)c1,MDHWUMCLHMBNBB-UHFFFAOYSA-N
-rxn:5:197876:227124:227107,Cc1cc(-c2cc3c(cc2-c2ccc(C(C)(C)C)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c(F)c(C2CC2)c1,ZNWOZZNXNYDGKB-UHFFFAOYSA-N
-rxn:5:197876:227124:227544,COC(=O)c1ccc(F)cc1-c1cc2c(cc1-c1ccc(C(C)(C)C)cc1F)S(=O)(=O)N(C(C)(C)C)C2=O,FUSFQRGNGKOIJU-UHFFFAOYSA-N
-rxn:5:197876:227203:227706,COc1cnc(C(F)F)c(-c2cc3c(cc2-c2ccc4c(c2)OCCCO4)S(=O)(=O)N(C(C)(C)C)C3=O)c1,JYRGCWAOTCPVJB-UHFFFAOYSA-N
-rxn:5:197876:227311:227554,CCC(C)c1cc(F)c(-c2cc3c(cc2-c2cccc(F)c2C(=O)OC)C(=O)N(C(C)(C)C)S3(=O)=O)cn1,PFVZCPKLLKKGPL-UHFFFAOYSA-N
-rxn:5:197876:227312:226913,CCc1cc(-c2cc3c(cc2-c2ccc(C(C)CC)nc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc(C2CC2)c1,VMHNJBYJVPESIM-UHFFFAOYSA-N
-rxn:5:197876:227329:227714,COc1ccc(C(C)=O)cc1-c1cc2c(cc1-c1ccc(SC(F)(F)F)cc1)C(=O)N(C(C)(C)C)S2(=O)=O,ICJPFIIQWWTQEV-UHFFFAOYSA-N
-rxn:5:197876:227409:223229,CC(=O)Nc1ccc(C)c(-c2cc3c(cc2-c2cc(C(C)(C)C)ncc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,XBQOBNJGUCSWFU-UHFFFAOYSA-N
-rxn:5:197876:227413:227024,CC(c1cccc(-c2cc3c(cc2-c2cnc(C4CCC4)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1)N(C)C,AMCFLFAIILSFDZ-UHFFFAOYSA-N
-rxn:5:197876:227415:226757,Cc1cc(-c2cc3c(cc2-c2ccc(C(C)(C)C)nc2F)S(=O)(=O)N(C(C)(C)C)C3=O)ccc1OC(F)(F)F,LEQVXVWHEQZHPE-UHFFFAOYSA-N
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-rxn:5:197876:227811:226062,CC(C)Cc1ccc(-c2cc3c(cc2-c2cc(C(C)C)cc(C(C)C)c2)C(=O)N(C(C)(C)C)S3(=O)=O)cc1,WIGBNSQRZFFHKZ-UHFFFAOYSA-N
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-rxn:5:197876:227996:226761,CSc1ccc(-c2cc3c(cc2-c2ccc(C(C)=O)cc2C)S(=O)(=O)N(C(C)(C)C)C3=O)c(C(F)(F)F)c1,RPADIOLTBGTYGF-UHFFFAOYSA-N
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-rxn:5:197876:228247:225811,CC(=O)c1ccc(F)c(-c2cc3c(cc2-c2ccc(C4(C(F)(F)F)CC4)cc2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,IIBATKXWLHHVMA-UHFFFAOYSA-N
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-rxn:5:198559:226429:225832,Cc1nn(C2CCCCO2)c(C)c1C1=NS(=O)(=O)c2ccc(-c3ccc(N4CCCC(C)C4)s3)cc21,SQUVGFUWPMIUGV-UHFFFAOYSA-N
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-rxn:4:174428:222679,COc1ccc(NC(=O)OC(C)(C)C)cc1-c1ccc(SC(C)(C)C(=O)OC(C)(C)C)cc1,QTFDCPWLGWEORC-UHFFFAOYSA-N
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-rxn:4:174444:223075,COC(=O)c1cc(F)c(OCC2CCCCC2)c(-c2ccc(NS(=O)(=O)C3CC3)cc2)c1,PYVIRFBTLBRFSG-UHFFFAOYSA-N
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-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:4:174516:224485,CC(C)[Si](Oc1ccccc1-c1ccn([Si](C(C)C)(C(C)C)C(C)C)c1)(C(C)C)C(C)C,ZJOCZEUTEPBBBD-UHFFFAOYSA-N
-rxn:4:174522:223750,CC(C)[Si](C#Cc1ccc(-c2ccc3cccnc3c2O[Si](C)(C)C(C)(C)C)cc1)(C(C)C)C(C)C,BTZGKTPAWSKXMB-UHFFFAOYSA-N
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-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
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-rxn:4:174603:223568,COC(=O)C(C)Oc1ccc2c(c1)OC(=Cc1ccc(-c3cnc4c(ccn4[Si](C(C)C)(C(C)C)C(C)C)c3Cl)cc1)C2=O,JXPANDMZVRTCAK-UHFFFAOYSA-N
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-rxn:4:183963:223889,Cc1cccc(OCC2CN(C(=O)OC(C)(C)C)C2)c1-c1cccc2c1CN(C(=O)OC(C)(C)C)CC2,ZKYYJLHKIMDVHO-UHFFFAOYSA-N
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-rxn:4:183983:224160,Cc1ccc(-c2ccc3c(c2)CCN3C(=O)OC(C)(C)C)cc1CN(C(=O)OC(C)(C)C)C(C)C,GICOZIAIUULPSE-UHFFFAOYSA-N
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-rxn:4:184023:225526,CCN(CC)C(=O)c1cccc(-c2cc(Cl)cc(OCC3CCN(C(=O)OC(C)(C)C)CC3)c2)c1,QZHMJAYHAMTKDT-UHFFFAOYSA-N
-rxn:4:184023:226773,COC(=O)c1c(Cl)ccc(-c2cc(Cl)cc(OCC3CCN(C(=O)OC(C)(C)C)CC3)c2)c1F,XQVYMEASICTNFS-UHFFFAOYSA-N
-rxn:4:184023:226865,CC(C)(C)OC(=O)N1CCC(COc2cc(Cl)cc(-c3ccc(Cl)c(OC(F)(F)F)c3)c2)CC1,UHDIIIJVKAMNAA-UHFFFAOYSA-N
-rxn:4:184027:223785,CCN1CCN(CCOc2ccc(-c3ccc(OCC4CCN(C(=O)OC(C)(C)C)CC4)c(F)c3)cc2Cl)CC1,QFZHBZFUEQYXAX-UHFFFAOYSA-N
-rxn:4:184046:223998,COc1cccc(C(=O)N(Cc2cccc(-c3ccc(S(=O)(=O)N4CCC(C)CC4)c(F)c3)c2)C2CCS(=O)(=O)C2)c1,CZSQQCIWRDQCPV-UHFFFAOYSA-N
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-rxn:4:184122:222538,O=C1c2ccccc2C(=O)N1CCCCOc1cc(-c2cc(C3CCCC3)nc(C3CCNCC3)c2)ccc1F,UEHGDUVXQLFYMD-UHFFFAOYSA-N
-rxn:4:184137:224251,COc1cc(-c2ccc(C(=O)N3CCCC(C)C3)cc2F)ccc1OCCCN1C(=O)c2ccccc2C1=O,YSFCWODBUPBENX-UHFFFAOYSA-N
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-rxn:4:184181:222945,CC(C)NS(=O)(=O)c1ccc(-c2ccc(CN(C(=O)OC(C)(C)C)C(C)C)c3ccccc23)cc1F,RDJCOBYYYUGEAB-UHFFFAOYSA-N
-rxn:4:184185:222638,CC(=O)Oc1c(-c2cccc(C(C)NC(=O)OC(C)(C)C)c2)cc(N(C(C)=O)S(=O)(=O)c2ccc(C)cc2)c2ccccc12,MBRPOFGKXPFBEK-UHFFFAOYSA-N
-rxn:4:184188:222936,CCC(=O)NS(=O)(=O)c1ccc(-c2ccc(CN(C(=O)OC(C)(C)C)C3CCC3)c3ccccc23)cc1,CFKULXOOBWSJAY-UHFFFAOYSA-N
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-rxn:4:184225:225304,CC(=O)c1c(C)oc2ccc(N(C(=O)C3CCCCC3)S(=O)(=O)c3ccc(-c4cc(C(F)(F)F)cnc4C(C)(C)C)cc3)cc12,QGWLRLBXIZQQJU-UHFFFAOYSA-N
-rxn:4:184267:223945,N#Cc1cc(OCCC(F)(F)F)ccc1-c1ccc(OCCCN2CCOCC2)c(F)c1,ZEJRTXOHGURZFG-UHFFFAOYSA-N
-rxn:4:184533:222466,COC(=O)Cc1c(OC)ccc(-c2cc(C3CCCCC3)nc(C3CCNCC3)c2)c1C#N,ZKLKWGVSKVNPLJ-UHFFFAOYSA-N
-rxn:4:184533:223562,COC(=O)Cc1c(OC)ccc(-c2ccc(CC3CCN(C(=O)OC(C)(C)C)CC3)cc2)c1C#N,SKHVAWLKTKJBCY-UHFFFAOYSA-N
-rxn:4:184761:223569,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(F)c(-c3cccc(C(C#N)C(=O)OC(C)(C)C)c3)cnc21,VWRDMZACYDMOLA-UHFFFAOYSA-N
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-rxn:4:185315:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3ccc(C4CC4)c(C4CN(C(=O)OC(C)(C)C)C4)c3)cc21,YOAPNJMSPGTPPV-UHFFFAOYSA-N
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-rxn:4:185353:226912,Cc1cc(CC(C)C)cc(-c2ccc(CC(=O)N3CCC(S(=O)(=O)C(C)(C)C)C3)cc2)c1,AKQKGAAHPWODCH-UHFFFAOYSA-N
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-rxn:4:185384:224456,COCc1cccc(-c2cccc(-c3ccc(C(F)(F)F)cc3C3CCCN(C(=O)OC(C)(C)C)C3)c2)c1,QCOKQMYUCDYPBI-UHFFFAOYSA-N
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-rxn:4:185407:223755,COc1ccc(C2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccc(OCCCN2CCC(C)CC2)c(F)c1,HMZIZZJFHFCHQJ-UHFFFAOYSA-N
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-rxn:4:185414:223579,Cc1cc(Cl)cc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3C)cc2)c1OC1CCN(C(=O)OC(C)(C)C)CC1,IWNMPKXLKVMFKQ-UHFFFAOYSA-N
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-rxn:4:185415:226586,O=C(CC1CCCCC1)N(c1ccc(-c2ccnc(OC3CCOC3)c2)cc1)C1C=CS(=O)(=O)C1,OXJILYXVVXMTHM-UHFFFAOYSA-N
-rxn:4:185415:227517,O=C(CC1CCCCC1)N(c1ccc(-c2ccc(OC3COC3)nc2)cc1)C1C=CS(=O)(=O)C1,PJKAMSXYLUPNLO-UHFFFAOYSA-N
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-rxn:4:185428:223989,CC1CCN(C(=O)COc2ccc(C(C)(C)C)cc2-c2cncc(-c3ccc(OC(F)(F)F)cc3)c2)CC1,WKQOBASPSLUDNE-UHFFFAOYSA-N
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-rxn:4:185428:226534,COC(=O)c1cc(OC)ccc1-c1cc(C(C)(C)C)ccc1OCC(=O)N1CCC(C)CC1,FLJFHUIFBHYWLR-UHFFFAOYSA-N
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-rxn:4:185480:222684,O=C1c2ccccc2C(=O)N1CCCOc1ccc(F)cc1-c1ccc(OCCN2CCNCC2)c(Cl)c1,BJYXTKLRNQBIRO-UHFFFAOYSA-N
-rxn:4:185492:224614,COC(=O)c1cccc2c1c(-c1ccc(N(C)C(=O)OC(C)(C)C)cc1)cn2C(=O)OC(C)(C)C,KDXGNCWMDOUAEO-UHFFFAOYSA-N
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-rxn:4:186974:224645,COc1cc(C(=O)N2CCCC2)ccc1-c1cc(Cl)ccc1OCC(=O)N1CCCCC1,KRGUQMMATOAEOQ-UHFFFAOYSA-N
-rxn:4:187052:222634,Fc1cc(-c2ccc(OCCN3CCCCC3)cc2F)ccc1OCCNC1CCCC1,JZDYPSIZCNJBGF-UHFFFAOYSA-N
-rxn:4:187068:223998,COC(=O)c1cc(-c2ccc(S(=O)(=O)N3CCC(C)CC3)c(F)c2)ccc1CN1CCOCC1,KJHCSNYIAMQJDP-UHFFFAOYSA-N
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-rxn:4:187146:223064,O=C(Cc1cc(F)ccc1-c1ccc(C2CCNCC2)nc1F)N1CCCC(C(F)(F)F)C1,CFHFKKNFIAHUBQ-UHFFFAOYSA-N
-rxn:4:187212:223935,CC(C)(C)OC(=O)N1CC(c2ccc(-c3cc4cccc(F)c4n3C(=O)OC(C)(C)C)c(F)c2)C1,DHXBSGMOCKRHIL-UHFFFAOYSA-N
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-rxn:4:187378:224187,CC1CCCN(C(=O)CS(=O)(=O)c2ccccc2-c2ccc(OCCN3CCCCC3)cc2F)C1,AXRMRJRAVSHKRJ-UHFFFAOYSA-N
-rxn:4:187399:222645,CC1CCN(CCCc2ccccc2-c2cccc(OCCN3CCC(O)CC3)c2)CC1,UBLCOMUHIFQYJB-UHFFFAOYSA-N
-rxn:4:187406:223689,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(OCC(=O)N4CCC(C)CC4)c(C)c3)ccc2OC)CC1,VZQKSHGFAXNOKJ-UHFFFAOYSA-N
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-rxn:4:187421:222780,Cc1ccc(C2CN(C(=O)OC(C)(C)C)C2)cc1-c1cc(F)cc(C(=O)NCCN(C)C)c1,JIVYYHUHFICKOV-UHFFFAOYSA-N
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-rxn:4:187422:223790,COC(=O)c1cc(-c2cncc(C3CCCN3C(=O)OC(C)(C)C)c2)cc(N(C)C2CCCC2)c1C,NWNAJYHBBTYOAX-UHFFFAOYSA-N
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-rxn:4:187433:222700,COC(=O)c1ccc(-c2ccc(C(F)(F)F)cc2C2CCCNC2)c(CN2CCCC(C)C2)c1,BAASRBKDHUMELQ-UHFFFAOYSA-N
-rxn:4:187483:223891,CCC1CCCCN1S(=O)(=O)c1ccc(-c2c(F)ccc3c2ccn3[Si](C)(C)C(C)(C)C)c(OC)c1,KOHPZYREPKWYQY-UHFFFAOYSA-N
-rxn:4:187485:222888,CCOc1cc(S(=O)(=O)N2CCCC(C)C2)ccc1-c1ccc(CN2CCNCC2)c(Cl)c1,SZFSQFYBNIVEKS-UHFFFAOYSA-N
-rxn:4:187487:223077,CCC1CCCCN1S(=O)(=O)c1cc(-c2ccc(S(=O)(=O)NC3CC3)cc2)ccc1OC,ZDZVFJDJVRDWON-UHFFFAOYSA-N
-rxn:4:187507:226792,CC(C)(C)OC(=O)N1CCOC(c2ccc(F)c(-c3cnc(N4CCOCC4)nc3)c2)C1,REKMCBRXDMLESM-UHFFFAOYSA-N
-rxn:4:187554:223881,Cc1ccc2cc(-c3cccc(C(=O)N4CCC(S(=O)(=O)C(C)(C)C)C4)c3)n(C(=O)OC(C)(C)C)c2c1,WGAZYRILDHVUDU-UHFFFAOYSA-N
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-rxn:4:187557:224742,COc1cc(OC)c(C2OCCO2)cc1-c1ccc([C@H]2CCCC(=O)N2C(=O)OC(C)(C)C)cc1,BQBGAERYHXKFON-OAQYLSRUSA-N
-rxn:4:187569:224884,Cc1ccc(OCC(=O)N2C(C)CCCC2C)c(-c2cccc(CN3CCC(C)CC3)c2)c1,FNQIJKXIBTZATF-UHFFFAOYSA-N
-rxn:4:187571:224962,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3ccccc3COC3CCOCC3)cc2)CC1,SBMQMFKZBLSONM-UHFFFAOYSA-N
-rxn:4:187575:223577,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3cccc(C4CCCN(C(=O)OC(C)(C)C)C4)c3)cc2)CC1,OZXKQRKNGOZJBJ-UHFFFAOYSA-N
-rxn:4:187628:222699,CCOc1cc(S(=O)(=O)N2CC(C)CC(C)C2)ccc1-c1ccc(C2CCCNC2)c(C(F)(F)F)c1,QSCPUBMAUVGEGN-UHFFFAOYSA-N
-rxn:4:187633:222922,CC(C)(C)NS(=O)(=O)c1ccccc1-c1cccc(C2(C)CN(C(=O)OC(C)(C)C)CCO2)c1,BCPFAHSCPPNXNC-UHFFFAOYSA-N
-rxn:4:187658:226753,CCN(C1CCCCC1)S(=O)(=O)c1cc(-c2ccc(OC)cc2C(F)(F)F)c(C)cc1C,FKQAVVXOTXCSHL-UHFFFAOYSA-N
-rxn:4:187660:224356,Cc1ccc(-c2cc3sc(Cl)cc3n2C(=O)OC(C)(C)C)c(C2CCCN(C(=O)OC(C)(C)C)C2)c1,UKMWSIFIJRQWKB-UHFFFAOYSA-N
-rxn:4:187663:223573,Cc1cc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)cc2)ccc1C1CCCN(C(=O)OC(C)(C)C)C1,GBRBPFJBMBQADO-UHFFFAOYSA-N
-rxn:4:187663:224356,Cc1cc(-c2cc3sc(Cl)cc3n2C(=O)OC(C)(C)C)ccc1C1CCCN(C(=O)OC(C)(C)C)C1,XFKWQLMMMHRHSK-UHFFFAOYSA-N
-rxn:4:187663:225758,Cc1cc(-c2ccncc2C(=O)OC(C)(C)C)ccc1C1CCCN(C(=O)OC(C)(C)C)C1,YTLUXRCBBKJTDC-UHFFFAOYSA-N
-rxn:4:187896:223947,CCN(C(=O)OC(C)(C)C)c1ccc(-c2c(OC)ccc3cc(C(=O)C(C)=CN(C)C)ccc23)c(F)c1,BVUQEVZUQFIECY-UHFFFAOYSA-N
-rxn:4:187939:224421,CC(C)c1cc(C(C)C)c(-c2ccc(N(C(=O)c3cc4ccccc4oc3=O)C3C=CS(=O)(=O)C3)cc2)c(C(C)C)c1,UFJOZGYTEOKVOS-UHFFFAOYSA-N
-rxn:4:187942:222685,Cc1cc(F)c(NC(=O)OC(C)(C)C)cc1-c1cccc2c1cc([Si](C)(C)C)n2C(=O)OC(C)(C)C,NRGNYEMKENJMMA-UHFFFAOYSA-N
-rxn:4:187942:223569,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(F)c(-c3cccc4c3cc([Si](C)(C)C)n4C(=O)OC(C)(C)C)cnc21,VFINFUKEKHRVCM-UHFFFAOYSA-N
-rxn:4:187969:224307,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3c(F)cc(O[Si](C)(C)C(C)(C)C)cc3F)cccc21,DYRIICOHPGHTSG-UHFFFAOYSA-N
-rxn:4:188034:223583,COC(=O)c1ccc2c(-c3csc(C(=O)C(F)(F)C(F)(F)F)n3)cn(C(=O)OC(C)(C)C)c2c1,UYJPGTWMSIJAJZ-UHFFFAOYSA-N
-rxn:4:188404:223534,CCOC(=O)c1ccnc(-c2cc(OC3CCN(C(=O)OC(C)(C)C)CC3)ncc2F)c1F,WFANAGWATHLNJV-UHFFFAOYSA-N
-rxn:4:188983:222426,COC(=O)c1cnc(C2CC2)cc1-c1ccc2c(c1)C1(CCN(C(=O)OC(C)(C)C)CC1)C(=O)N2,IKXUJIUFDQOYHG-UHFFFAOYSA-N
-rxn:4:189420:222519,CONS(=O)(=O)c1c(C)cc(-c2cc(C(F)(F)F)ccc2NC(=O)OC(C)(C)C)cc1C,LUFWDWDRQJTPEH-UHFFFAOYSA-N
-rxn:4:189700:224488,CC(C)N(C(=O)c1ccc(-c2ccc(C(=O)N(C)C3CCS(=O)(=O)C3)o2)cc1)C(C)C,YTXZOMVUBPDVMI-UHFFFAOYSA-N
-rxn:4:189803:223754,COC(=O)c1ccc(N2CCCC2)c(-c2ccc(OCCCN3CCC(C)CC3)c(Cl)c2)c1,QFXIBVDZBINMNK-UHFFFAOYSA-N
-rxn:4:189840:222634,COC(=O)c1cc(F)c(N2CCCC2)cc1-c1ccc(OCCNC2CCCC2)c(F)c1,MCYPQJZRNAXWEG-UHFFFAOYSA-N
-rxn:4:190010:224773,C#CC1CCN(S(=O)(=O)c2cccc(-c3ccc(S(=O)(=O)N4CCCC4)c(C)c3)c2)CC1,YBLIWCBWJXVIHG-UHFFFAOYSA-N
-rxn:4:190015:222718,COc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1cc(S(=O)(=O)N2CCNCC2)ccc1C,NJAJDCSKVAVFQO-UHFFFAOYSA-N
-rxn:4:190020:223569,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(F)c(-c3ccc(C(=O)N(C)C4CCS(=O)(=O)C4)cc3)cnc21,YLBALXYARKNPIC-UHFFFAOYSA-N
-rxn:4:190020:224431,Cc1cccc(CN(C(C)C)C(C)C)c1-c1ccc(C(=O)N(C)C2CCS(=O)(=O)C2)cc1,NORVSGDLPOVRNA-UHFFFAOYSA-N
-rxn:4:190072:225653,CC1CCCCN1c1ccc(-c2ccc(Cl)c(C(=O)N3CCCCC3C(F)(F)F)c2)cn1,MKFJCLPYORVRFR-UHFFFAOYSA-N
-rxn:4:190214:224010,COc1cc(S(=O)(=O)N2CCCCC2)ccc1-c1cc(S(=O)(=O)N2CCOCC2)ccc1OC,AKJYPKIMGGVTGD-UHFFFAOYSA-N
-rxn:4:190276:225324,CC(C)CCn1cc(-c2ccc(C(=O)N(C)C3(C)CCS(=O)(=O)C3)cc2)c(C(F)(F)F)n1,ZZSLDEGTVSLAOF-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:4:190375:225271,COC(=O)c1cc(OC)c(OC)cc1-c1ccc(OC)c(S(=O)(=O)N2CCCC(C)C2)c1,GQXIDXHICMHNFB-UHFFFAOYSA-N
-rxn:4:190379:224286,COc1cc(S(=O)(=O)N2CCCC(C)C2)ccc1-c1ccc(OCCN2CCOCC2)c(Cl)c1,NAMYLKPVTTVENP-UHFFFAOYSA-N
-rxn:4:190426:224625,CC(C)Oc1cc(-c2ccc(C3CCN(S(=O)(=O)C(C)C)CC3)cc2)cc(Cl)c1OC(C)C,XVRLAJSPOLHPKX-UHFFFAOYSA-N
-rxn:4:190451:225213,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1ccc(N2CCN(C)CC2)cc1Cl,CZHALHSYZJKERW-UHFFFAOYSA-N
-rxn:4:190797:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3cc(Cl)c4ccn(C(=O)OC(C)(C)C)c4c3)cc21,RLAPQUYQLZQGRP-UHFFFAOYSA-N
-rxn:4:190817:223568,COC(=O)CN1C(=O)C(C)(C)c2cc(-c3cnc4c(ccn4[Si](C(C)C)(C(C)C)C(C)C)c3Cl)ccc21,OQFWXBJYZDCFIL-UHFFFAOYSA-N
-rxn:4:190823:223579,CC1CN(C(=O)OC(C)(C)C)CCN1c1ccc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)C3=O)cc1,AVNIISXDENGQTB-UHFFFAOYSA-N
-rxn:4:190833:223594,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)cc(-c3ccc(Cl)c4c3C(=O)N(C(=O)OC(C)(C)C)C4)c2)CC1,HCSJPHRBWRJXGO-UHFFFAOYSA-N
-rxn:4:190833:223931,CC(C)(C)OC(=O)N1Cc2c(Cl)ccc(-c3cc4ccc(Cl)cc4n3C(=O)OC(C)(C)C)c2C1=O,NLFPJJBWVKSUDF-UHFFFAOYSA-N
-rxn:4:190834:222635,C[C@H](NC(=O)OC(C)(C)C)c1cccc(-c2cc(F)c3c(c2)CN(C(=O)OC(C)(C)C)C3=O)c1,VJXXPCBEXNDZJH-HNNXBMFYSA-N
-rxn:4:190857:223818,CC(C)(C)OC(=O)N1CCc2cc(-c3c(F)cc(F)c4c3ccn4C(=O)OC(C)(C)C)sc2C1,JYGNFSULKRLUAD-UHFFFAOYSA-N
-rxn:4:190932:223975,CC(C)(C)OC(=O)N1CC(=O)c2cc(-c3cn(C(=O)OC(C)(C)C)c4ccc(Cl)nc34)ccc2C1,QECZMIPKNYUOEY-UHFFFAOYSA-N
-rxn:4:190933:224485,CC1c2cc(-c3ccn([Si](C(C)C)(C(C)C)C(C)C)c3)ccc2C(=O)N1C(=O)OC(C)(C)C,ZUOIRYRDXZZGPR-UHFFFAOYSA-N
-rxn:4:190953:223670,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3)CC1,JKDVBYZXONOZHM-UHFFFAOYSA-N
-rxn:4:190978:223570,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc4c(c3)N(C(=O)OC(C)(C)C)CCS4(=O)=O)c(F)ncc21,BEXJZNDLULLYCQ-UHFFFAOYSA-N
-rxn:4:190978:225203,Cc1cc(C2CC2)c(C(F)(F)F)cc1-c1ccc2c(c1)N(C(=O)OC(C)(C)C)CCS2(=O)=O,NKFVSHYMIPWXJQ-UHFFFAOYSA-N
-rxn:4:191029:223531,Cc1c(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)c(Cl)c2)ccc2c1CCN(C(=O)OC(C)(C)C)C2,UFDFURCPJRCXBO-UHFFFAOYSA-N
-rxn:4:191029:223579,Cc1c(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3C)cc2)ccc2c1CCN(C(=O)OC(C)(C)C)C2,QKPRRJULQPJIGU-UHFFFAOYSA-N
-rxn:4:191029:223938,Cc1c(-c2cc3cc(Cl)ccc3n2C(=O)OC(C)(C)C)ccc2c1CCN(C(=O)OC(C)(C)C)C2,IBLFOULPEZTIRO-UHFFFAOYSA-N
-rxn:4:191042:223636,CC(C)(C)OC(=O)N1CCCC(c2ccc(-c3ccc4c(c3)C(=O)C3(C4)CN(C(=O)OC(C)(C)C)C3)cc2)C1,KXEJMGNUZKNHEN-UHFFFAOYSA-N
-rxn:4:191058:223074,COC(=O)C1CCN(C2CCc3cc(-c4cccc(NS(=O)(=O)C5CC5)c4)ccc32)CC1,LKDBMILRKJQOPI-UHFFFAOYSA-N
-rxn:4:191097:222752,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3ccc(NC(=O)OC(C)(C)C)cc3C)cc21,NNOIPBSCYASDPO-UHFFFAOYSA-N
-rxn:4:191118:223579,CC1CN(C(=O)OC(C)(C)C)CCN1c1ccc(-c2ccc3c(c2)C2(CCN(C(=O)OC(C)(C)C)CC2)CC3=O)cc1,NQWHGYJDSVTODF-UHFFFAOYSA-N
-rxn:4:191118:223761,CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)c1ccc(-c3ccc(C4CCCN4C(=O)OC(C)(C)C)cc3)cc12,ROMXFWATHMPTBO-UHFFFAOYSA-N
-rxn:4:191119:223650,CC(C)(C)OC(=O)N1CCN(c2ccccc2-c2ccc3c(c2)C(=O)C2(CCN(C(=O)OC(C)(C)C)CC2)C3)CC1,ANJMOORTBUMXRX-UHFFFAOYSA-N
-rxn:4:191119:226421,CC(C)(C)OC(=O)N1CCC2(CC1)Cc1ccc(-c3ccc(Cl)cc3N3CCCC3)cc1C2=O,IFICRVOKJTYENR-UHFFFAOYSA-N
-rxn:4:191120:228620,CSc1ccc(-c2cc3c(cc2F)CC2(CCN(C(=O)OC(C)(C)C)CC2)C3=O)cc1C,VVWGQCTVTIRZSM-UHFFFAOYSA-N
-rxn:4:191124:223106,CC(C)(C)OC(=O)N1CCC2(CCc3ccc(-c4cnc(N5CCC(O)C5)nc4Cl)cc32)CC1,MZBWIJKVXZJMTJ-UHFFFAOYSA-N
-rxn:4:191126:225877,CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)c1cc(-c3ccc(Cl)cc3N3CCOCC3)ccc1O2,VQCVQYPDSUHYMV-UHFFFAOYSA-N
-rxn:4:191130:225829,CC1CCN(c2ncc(-c3ccc4c(c3)OC3(CC4)CCN(C(=O)OC(C)(C)C)CC3)cn2)CC1,IRTZRBLSCWLFJZ-UHFFFAOYSA-N
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-rxn:4:203799:222716,CC(=O)N1CCCC(Cc2cccc(-c3ccc(S(=O)(=O)NC4CCCC4)c(F)c3)n2)C1,DTOCVYRPXMLPNK-UHFFFAOYSA-N
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-rxn:4:206449:222584,O=C(c1ncc(-c2ccc(OCCCN3CCNCC3)c(F)c2)cc1F)N1CCOCC1,BYQDNJGNYNVLFU-UHFFFAOYSA-N
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-rxn:4:207091:223181,CCNS(=O)(=O)c1cccc(-c2ccc(N3C(=O)CC(N4CCCCCC4)C3=O)cc2)c1,KSRORDHIDWNUQX-UHFFFAOYSA-N
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-rxn:4:207464:222538,CCn1ncc(-c2cc(C3CCCC3)nc(C3CCNCC3)c2)c1C12COC(C)C1O2,JSFRPLJCLAWMRM-UHFFFAOYSA-N
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-rxn:4:207813:224379,CN1CCN(S(=O)(=O)c2ccccc2-c2ccc(S(=O)(=O)N3CCN(C)CC3)c3ccccc23)CC1,MPEXASIDSRXLPG-UHFFFAOYSA-N
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-rxn:4:207959:223132,Cc1ccc(C2=NN3C(C2)c2cc(-c4cccc(N5CCNCC5)c4)ccc2OC3C2CCCCC2)cc1,HHEXIWKXNWJMJI-UHFFFAOYSA-N
-rxn:4:207959:223142,Cc1ccc(C2=NN3C(C2)c2cc(-c4ccc(C5CCCNC5)nc4)ccc2OC3C2CCCCC2)cc1,FOKUGTCKGFIEJJ-UHFFFAOYSA-N
-rxn:4:208326:223499,Cn1ncc(-c2ccc(Cl)c(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)c1C(F)(F)F,JYSFMGAOLWDTAW-UHFFFAOYSA-N
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-rxn:4:209812:223557,Cc1c(-c2c(F)ccc3c2ccn3[Si](C(C)C)(C(C)C)C(C)C)cnn1C1CCS(=O)(=O)CC1,CQLKWPCONHMKGG-UHFFFAOYSA-N
-rxn:4:210784:223520,CC(c1ccc(-c2cc([N+](=O)[O-])cc3c2CCN(C)C3)cc1)N1CCN(C(=O)OC(C)(C)C)CC1,YTPLOSWHTSLYKL-UHFFFAOYSA-N
-rxn:4:211060:224648,CN1CCN(C2CCCc3cc(-c4ccc(O[Si](C)(C)C(C)(C)C)cc4Cl)ccc32)CC1,QLCIRHLZINQHJQ-UHFFFAOYSA-N
-rxn:4:212541:223589,Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1cncc(OCC2CN(C(=O)OC(C)(C)C)C2)n1,NIKWZXADNIUHKC-UHFFFAOYSA-N
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-rxn:4:212542:224868,CCOCC(=O)N1CCCC(Oc2ncc(-c3cccc(OCC4CCCCC4)c3)cn2)C1,UDGDCNUJNXPGMK-UHFFFAOYSA-N
-rxn:4:212542:225877,CCOCC(=O)N1CCCC(Oc2ncc(-c3ccc(Cl)cc3N3CCOCC3)cn2)C1,JARDXWDNDZWCDJ-UHFFFAOYSA-N
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-rxn:4:212600:222700,O=C(COc1ccccc1)N1CCCC(Oc2ncc(-c3ccc(C(F)(F)F)cc3C3CCCNC3)cn2)C1,LDMGFVABZBYBOY-UHFFFAOYSA-N
-rxn:4:212622:223534,CC(C)(C)OC(=O)N1CCC(Oc2cc(-c3cnc(OCC4CCCN(C(=O)Cc5ccc(F)cc5)C4)nc3)c(F)cn2)CC1,NRGBFGIWQKOGOR-UHFFFAOYSA-N
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-rxn:4:212648:228468,Cc1c(-c2cn(C)nc2OCC2CCN(C(=O)OC(C)(C)C)CC2)cncc1[N+](=O)[O-],SJROUNYONFXIES-UHFFFAOYSA-N
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-rxn:4:212649:224672,CCN1CCN(c2ccc(-c3cnc(OCC4CCCN(C(=O)C(C)(C)CC)C4)nc3)c(Cl)c2)CC1,AAUYUDLWAATIAM-UHFFFAOYSA-N
-rxn:4:212649:224718,CCC(C)(C)C(=O)N1CCCC(COc2ncc(-c3ccc(OCCN4CCOCC4)nc3)cn2)C1,LRSKLIBYASLBHR-UHFFFAOYSA-N
-rxn:4:212649:225984,CCC(C)(C)C(=O)N1CCCC(COc2ncc(-c3cnc(Cl)c(N4CCOCC4)c3)cn2)C1,TUKCEYOWYGXLGW-UHFFFAOYSA-N
-rxn:4:212649:227464,CCCCSc1ncc(-c2cnc(OCC3CCCN(C(=O)C(C)(C)CC)C3)nc2)cn1,IAWCFRVORFUAAI-UHFFFAOYSA-N
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-rxn:4:212680:225877,Cc1ccc(OCC2CCN(C(=O)Cc3ccc(F)cc3-c3ccc(Cl)cc3N3CCOCC3)CC2)nn1,CXNQCJGYGCFCBI-UHFFFAOYSA-N
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-rxn:4:212774:223994,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1ccccc1C(=O)N(CCN(C)C)c1nc2c(Cl)cccc2s1,FVZLREZUGVRXOP-UHFFFAOYSA-N
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-rxn:4:212905:225287,CC(C)(C)OC(=O)c1cnc(Cl)cc1-c1ccnc(OC2CN(C(=O)OC(C)(C)C)C2)n1,GLCVWIPGUSQXEI-UHFFFAOYSA-N
-rxn:4:212908:225220,CCOC(=O)N1CCCC(Oc2ncc(-c3cnc(N4CCCCC4C)c(Cl)c3)cn2)C1,ZQSZXBBPWPXZLZ-UHFFFAOYSA-N
-rxn:4:212995:222630,Cc1nccn1CC1CN(C(=O)Cc2ccc(F)cc2-c2cc(C3CCC3)nc(C3CCNCC3)c2)C1,XCNFRVOHVFMZAH-UHFFFAOYSA-N
-rxn:4:213011:224718,CC(C)C(=O)N1CCCC(COc2ncc(-c3ccc(OCCN4CCOCC4)nc3)cn2)C1,JORQOUJTQRSWLY-UHFFFAOYSA-N
-rxn:4:213013:223945,CCC(C)C(=O)N1CCC(Oc2ncc(-c3ccc(OCCCN4CCOCC4)c(F)c3)cn2)CC1,GDCVUMSHDSPRRE-UHFFFAOYSA-N
-rxn:4:213061:225048,Cc1cc(N2CCN(C)CC2)ccc1-c1ccc(S(=O)(=O)N2CCC(Oc3ncccc3C#N)CC2)cc1,IIYOQXFBLOHACH-UHFFFAOYSA-N
-rxn:4:213072:223637,CC(C)(C)OC(=O)N1CCCC(Cn2cc(-c3ccccc3C3CCCN(C(=O)OC(C)(C)C)C3)cn2)C1,VYHQUWQNKABEDU-UHFFFAOYSA-N
-rxn:4:213096:222810,CC(C)(C)OC(=O)Nc1cc(-c2ccc(C#N)c(N3CCN(C(=O)OC(C)(C)C)CC3)c2)c(Cl)cn1,OVUAXAXFYPXAQB-UHFFFAOYSA-N
-rxn:4:213096:223526,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3ccc(C#N)c(N4CCN(C(=O)OC(C)(C)C)CC4)c3)cc2)CC1,XAHVURCZCKOLRU-UHFFFAOYSA-N
-rxn:4:213096:223596,CC(C)(C)OC(=O)N1CCN(c2cc(-c3ccc(Cl)cc3N3CCN(C(=O)OC(C)(C)C)CC3)ccc2C#N)CC1,OITSDUSSJVQZPS-UHFFFAOYSA-N
-rxn:4:213096:225975,CC(C)(C)OC(=O)N1CCN(c2cc(-c3ccnc(N4CCOCC4)c3Cl)ccc2C#N)CC1,WBUCPWUVTGNOLF-UHFFFAOYSA-N
-rxn:4:213097:224161,CC(C)(C)OC(=O)N1CCC(C#N)(c2ccc(-c3ccc4c(c3)CN(C(=O)OC(C)(C)C)C4)cn2)CC1,YMRPABBKQVEPHY-UHFFFAOYSA-N
-rxn:4:213100:227228,CC(C)COc1ccc(-c2cn(C3CCN(C(=O)OC(C)(C)C)CC3)nc2C(F)(F)F)cn1,ASGFKXUNGPJIKD-UHFFFAOYSA-N
-rxn:4:213106:223972,COc1ccc(-c2ccc(N3CCCCC3C)cc2C(F)(F)F)c(C(=O)N2CCCC(Oc3ccncn3)C2)c1,LSPVCAFAMFIHNU-UHFFFAOYSA-N
-rxn:4:213112:223505,Cc1ccc(OCC2CCN(S(=O)(=O)c3ccccc3-c3ccc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)cc3)C2)nn1,BMBJHTJZIZMEAF-UHFFFAOYSA-N
-rxn:4:213116:222538,O=S(=O)(c1ccc(F)cc1)N1CCCC(COc2ncc(-c3cc(C4CCCC4)nc(C4CCNCC4)c3)cn2)C1,ZOMDNYIKDNKAOA-UHFFFAOYSA-N
-rxn:4:213123:222935,CN(C)S(=O)(=O)NCc1ccc(-c2ccccc2CC(=O)N2CCN(c3ccnc(C(F)(F)F)c3)C(=O)C2)cc1,VQRDFWQQPBESLQ-UHFFFAOYSA-N
-rxn:4:213123:226665,O=C(Cc1ccccc1-c1cnc(C2CCCOC2)nc1)N1CCN(c2ccnc(C(F)(F)F)c2)C(=O)C1,YLIRRPFNRIEAKV-UHFFFAOYSA-N
-rxn:4:213124:226320,CC(C)CN(c1ncc(-c2cc(C3(C#N)CC3)ccc2F)cc1[N+](=O)[O-])C1CCCCC1,YYUMWGDKCOIJLU-UHFFFAOYSA-N
-rxn:4:213124:226326,CC(C)CN(c1ncc(-c2cccc(C3(C#N)CC3)c2F)cc1[N+](=O)[O-])C1CCCCC1,NIHZQNMFSYSIEN-UHFFFAOYSA-N
-rxn:4:213124:226327,CC(C)CN(c1ncc(-c2ccc(C3(C#N)CC3)cc2Cl)cc1[N+](=O)[O-])C1CCCCC1,GFCLMXVTAYEVQG-UHFFFAOYSA-N
-rxn:4:213124:226331,CC(C)CN(c1ncc(-c2ccc(C3(C#N)CC3)cc2F)cc1[N+](=O)[O-])C1CCCCC1,URJTYAOZQPWFPW-UHFFFAOYSA-N
-rxn:4:213130:225977,CC(C)(C)OC(=O)N1CCN(Cc2cncc(-c3cc(Cl)cnc3N3CCOCC3)c2)CC1,JPBQWBHBGYNRJO-UHFFFAOYSA-N
-rxn:4:213131:224718,CC(C)(C)C(=O)N1CCC(COc2ncc(-c3ccc(OCCN4CCOCC4)nc3)cn2)CC1,YJZMCHSPRQNEIS-UHFFFAOYSA-N
-rxn:4:213131:225984,CC(C)(C)C(=O)N1CCC(COc2ncc(-c3cnc(Cl)c(N4CCOCC4)c3)cn2)CC1,XRSMKBIXIHONCQ-UHFFFAOYSA-N
-rxn:4:213132:224672,CCN1CCN(c2ccc(-c3cnc(OCC4CCCN(C(=O)C(C)(C)C)C4)nc3)c(Cl)c2)CC1,HWNLIBCWMMOGIP-UHFFFAOYSA-N
-rxn:4:213135:226231,CCCCOc1ncc(-c2cnc(OC3CCN(C(=O)CC(C)(C)C)CC3)nc2)cc1C,IMNPMMFAXAZKRJ-UHFFFAOYSA-N
-rxn:4:213147:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cncc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1,SKUSLFWAZIFAKW-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:4:213152:223832,COc1ccc(-c2cc(S(=O)(=O)N3CCC(C)CC3)ccc2OC)cc1CN1CCC(Oc2ncc(F)cn2)CC1,IINODKYPPVLYDR-UHFFFAOYSA-N
-rxn:4:213171:222634,Cc1noc(C)c1CC(=O)N1CCC(Oc2ncccc2-c2ccc(OCCNC3CCCC3)c(F)c2)CC1,JCHBISGMMBROBB-UHFFFAOYSA-N
-rxn:4:213184:222634,Cc1cnc(OC2CCN(C(=O)Cc3ccc(F)cc3-c3ccc(OCCNC4CCCC4)c(F)c3)CC2)nc1,QEMRDHJGEURWFN-UHFFFAOYSA-N
-rxn:4:213196:222546,O=C(C1CCOCC1)N1CCCC(COc2ncc(-c3ccc(OCCNC4CCCCC4)c(F)c3)cn2)C1,VJVODHCYJXWGKE-UHFFFAOYSA-N
-rxn:4:213196:222584,O=C(C1CCOCC1)N1CCCC(COc2ncc(-c3ccc(OCCCN4CCNCC4)c(F)c3)cn2)C1,RCXQIBFOPVIRTM-UHFFFAOYSA-N
-rxn:4:213200:225898,COc1ccc(-c2cnn(CCN3CCOCC3)c2)c(C(=O)N2CCC(Oc3cc(C)nc(C)n3)C2)c1,AQIVDLJKZVXEKF-UHFFFAOYSA-N
-rxn:4:213201:223697,Cc1cc(OCC2CCN(S(=O)(=O)c3ccccc3-c3ccc(S(=O)(=O)N4CCCCC4)cc3C(F)(F)F)CC2)ncn1,GSJYKGUEIKCXJL-UHFFFAOYSA-N
-rxn:4:213201:224326,Cc1cc(OCC2CCN(S(=O)(=O)c3ccccc3-c3ccc(S(=O)(=O)N4CCCCC4)c(C)c3)CC2)ncn1,OMBAOVWNPUSACY-UHFFFAOYSA-N
-rxn:4:213213:224272,CN(c1cccc(-c2cc3ccncc3n2C(=O)OC(C)(C)C)n1)C1CCN(C(=O)OC(C)(C)C)CC1,HKOKWRGSBSXUCK-UHFFFAOYSA-N
-rxn:4:213228:223530,CC1CN(S(=O)(=O)c2cncc(-c3cc(F)ccc3CN3CCN(C(=O)OC(C)(C)C)CC3)c2)CCN1C(=O)OC(C)(C)C,LFZCVQJHEOOEPL-UHFFFAOYSA-N
-rxn:4:213236:223679,CCN1CCN(S(=O)(=O)c2c(C)cc(-c3cnc(OC4CCCN(S(=O)(=O)c5ccc(OC)c(C)c5)C4)nc3)cc2C)CC1,AAIHKBIOYLIYRR-UHFFFAOYSA-N
-rxn:4:213236:223696,COc1ccc(S(=O)(=O)N2CCCC(Oc3ncc(-c4ccc(S(=O)(=O)N5CCC6(CC5)OCCO6)cc4)cn3)C2)cc1C,KSYYOHCVCAEMTF-UHFFFAOYSA-N
-rxn:4:213242:224597,O=[N+]([O-])c1cccc(C2CC(c3ccc(-c4cc(C5CC5)cc(N5CCOCC5)c4)cc3)=NN2S(=O)(=O)c2ccccc2)c1,FMHIEYYFRSVRJG-UHFFFAOYSA-N
-rxn:4:213258:223492,Cc1cc(-c2c(C)nn(CC3CCCN(C(=O)OC(C)(C)C)C3)c2C)ccc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,YZOVEMUYJNGBGQ-UHFFFAOYSA-N
-rxn:4:213258:223506,Cc1nn(CC2CCCN(C(=O)OC(C)(C)C)C2)c(C)c1-c1cccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1,CFMHEYANYCYEBR-UHFFFAOYSA-N
-rxn:4:213258:223773,COc1cccc2cc(-c3c(C)nn(CC4CCCN(C(=O)OC(C)(C)C)C4)c3C)n(C(=O)OC(C)(C)C)c12,JWLXKHCSKOPBMU-UHFFFAOYSA-N
-rxn:4:213258:226655,Cc1nn(CC2CCCN(C(=O)OC(C)(C)C)C2)c(C)c1-c1cc(Cl)cnc1N1CCCC1,MGOHXTFVSJSPKG-UHFFFAOYSA-N
-rxn:4:213260:226335,N#Cc1cc(-c2cnc(OCC3CCCN(CC4CCS(=O)(=O)CC4)C3)nc2)ccc1C1COC1,KDZLDMFLJRIGOL-UHFFFAOYSA-N
-rxn:4:213273:223558,O=C(OCc1ccccc1)N1CCc2cc(-c3cnccc3OC3CCN(C(=O)c4ccc(N5CCOCC5)cc4)C3)ccc2C1,GSUHZISDEUPPKZ-UHFFFAOYSA-N
-rxn:4:213278:224319,COc1cccc(-c2noc(C3CCCN(S(=O)(=O)c4ccc(-c5ccc(S(=O)(=O)N6CCCCC6)cc5C)cc4)C3)n2)c1,USSQUVYEDXECEL-UHFFFAOYSA-N
-rxn:4:213279:223540,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1ccc(C2=NN(S(=O)(=O)c3ccc(C)cc3)C(c3cccc([N+](=O)[O-])c3)C2)cc1,YFCVKNIFMKDCTR-UHFFFAOYSA-N
-rxn:4:213279:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc(C4=NN(S(=O)(=O)c5ccc(C)cc5)C(c5cccc([N+](=O)[O-])c5)C4)cc3)cc2)CC1,IRQRHAOVIUTQMY-UHFFFAOYSA-N
-rxn:4:213290:227480,CCCOc1nccc(-c2cnc(OC3CCCN(C(=O)C4(c5ccccc5)CCOCC4)C3)nc2)c1Cl,MNTUHURSTDDQEU-UHFFFAOYSA-N
-rxn:4:213300:223583,COC(=O)c1ccc2c(-c3ccnc4c3cnn4COC(=O)OC(C)(C)C)cn(C(=O)OC(C)(C)C)c2c1,OHJDJJDSRBOTDY-UHFFFAOYSA-N
-rxn:4:213320:224321,COC(=O)c1nc(-c2cccc(S(=O)(=O)N3CCC(C)CC3)c2)n2c1CN(C(=O)OC(C)(C)C)CC2,CVTRVWYUYZXHRA-UHFFFAOYSA-N
-rxn:4:213337:222584,CCCCC(=O)N1CCN(c2nc3ccc(-c4ccc(OCCCN5CCNCC5)c(F)c4)cc3s2)CC1,JJQLLDCLBLQTRB-UHFFFAOYSA-N
-rxn:4:213388:224250,CC1CCCCN1C(=O)c1ccc(F)c(-c2ccnc3c2ccn3CC2CCN(C(=O)OC(C)(C)C)CC2)c1,UYOBGPUPDSMUNY-UHFFFAOYSA-N
-rxn:4:213412:227764,CC(C)CS(=O)(=O)C1CCN(C(=O)c2c3ccc(-c4cc(F)c(C(F)F)c(F)c4)cc3nn2C)CC1,NZGSIPSAMORCAW-UHFFFAOYSA-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:4:213659:222584,CCOC(=O)C1CCCN(c2ncc(-c3ccc(OCCCN4CCNCC4)c(F)c3)cn2)C1,BNVYGNGMYUUOBM-UHFFFAOYSA-N
-rxn:4:213661:223812,CCOC(=O)C1CCN(c2ncc(-c3cc(F)cc(CN4CCC5(CC4)OCCO5)c3)cn2)CC1,UJSNPWDJBZBRDU-UHFFFAOYSA-N
-rxn:4:213664:223836,CCC(=O)N1CCC(Oc2ncc(-c3cc4c(OC)ncnc4n3C(=O)OC(C)(C)C)cn2)CC1,BQCYLWBDHOOYCP-UHFFFAOYSA-N
-rxn:4:213713:225350,COC(=O)c1cc(C(F)(F)F)ccc1-c1cnc([C@@H]2CCCN2C(=O)OC(C)(C)C)[nH]1,CWZLZWMRXDNXCW-INIZCTEOSA-N
-rxn:4:213720:224359,CCN(CC)C(=O)c1cc(-c2ccnn2C2CCN(C(=O)OC(C)(C)C)C2)cc([N+](=O)[O-])c1,TUPWEGOIIVNNMK-UHFFFAOYSA-N
-rxn:4:213765:222852,CC(C)(C)OC(=O)N1CCC(c2cncc(-c3cccc(CN4CCC(O)CC4)c3)n2)C1,RMFAPYJQLQGSEY-UHFFFAOYSA-N
-rxn:4:213799:224592,CC(C)(C)OC(=O)N1CCOC(c2cc(-c3cc(C4(C#N)CCCCC4)ccc3F)ncn2)C1,HVGZADSNIAFHSP-UHFFFAOYSA-N
-rxn:4:213801:225883,CC(C)(C)OC(=O)N1CCOC(c2cncc(-c3cnc(C4CCOCC4)c(Cl)c3)n2)C1,OIVPAVGWBGLOKU-UHFFFAOYSA-N
-rxn:4:213874:225348,COC(=O)c1ccc(C(F)(F)F)cc1-c1ccnc(N2CCN(C(=O)OC(C)(C)C)CC2)c1,FNICXDFKXGNDGA-UHFFFAOYSA-N
-rxn:4:213874:225975,CC(C)(C)OC(=O)N1CCN(c2cc(-c3ccnc(N4CCOCC4)c3Cl)ccn2)CC1,NEGLLGSYSWRUKC-UHFFFAOYSA-N
-rxn:4:213877:223527,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)ccc2-c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)ccn2)CC1,NGMDIJIZIOZYNT-UHFFFAOYSA-N
-rxn:4:213877:223940,CC(C)(C)OC(=O)N1CCN(c2ccnc(-c3ccc4c(c3)OCCN4C(=O)OC(C)(C)C)c2)CC1,ROHMQPWSOJBBEU-UHFFFAOYSA-N
-rxn:4:213877:224356,CC(C)(C)OC(=O)N1CCN(c2ccnc(-c3cc4sc(Cl)cc4n3C(=O)OC(C)(C)C)c2)CC1,PZYPPDJYLYQQHV-UHFFFAOYSA-N
-rxn:4:213879:225982,CC(C)(C)OC(=O)N1CCN(c2cccnc2-c2cnc(N3CCOCC3)cc2F)CC1,CWTZSRWCYYASPT-UHFFFAOYSA-N
-rxn:4:213880:222886,CC(C)(C)OC(=O)N1CCN(c2cnccc2-c2ccc(N3CCNCC3)cc2C#N)CC1,VSBBIVDEYVTLAK-UHFFFAOYSA-N
-rxn:4:213889:223032,CCCNC(=O)c1ccc(-c2cc(C3CCCN(C(=O)OC(C)(C)C)C3)ncn2)c(F)c1,UGOHHBOSURWYMA-UHFFFAOYSA-N
-rxn:4:213894:224759,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cc(F)cc(C(=O)N4CCOCC4)c3)cn2)CC1,OSWVWPQSHJLXGA-UHFFFAOYSA-N
-rxn:4:213897:225975,CC(C)(C)OC(=O)N1CCN(c2ccncc2-c2ccnc(N3CCOCC3)c2Cl)CC1,MSYOYKCWLFWMDH-UHFFFAOYSA-N
-rxn:4:213901:223062,CC(C)(C)OC(=O)N1CCN(c2nc(Cl)ccc2-c2cnc(C3CCNCC3)cc2F)CC1,UFPCTPOROATSIT-UHFFFAOYSA-N
-rxn:4:213938:223585,COc1ccc(CN(C)S(=O)(=O)c2ccccc2-c2ccc(S(=O)(=O)N3CCN(c4ccc(C(F)(F)F)cn4)CC3)cc2)cc1,ZISMTZDWOFRGBS-UHFFFAOYSA-N
-rxn:4:213942:224269,Cc1nn(C2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1cn(C(=O)OC(C)(C)C)c2cnccc12,BVUJBNSCMDARPG-UHFFFAOYSA-N
-rxn:4:213944:223503,CC1CN(C(=O)OC(C)(C)C)CCC1c1ncc(-c2c(F)cc(OC3CCN(C(=O)OC(C)(C)C)CC3)cc2F)[nH]1,BIMWIHJUGAULNW-UHFFFAOYSA-N
-rxn:4:213944:224834,CC1CN(C(=O)OC(C)(C)C)CCC1c1ncc(-c2cn(S(=O)(=O)N(C)C)nc2C(F)(F)F)[nH]1,DCMPDALFWCITNB-UHFFFAOYSA-N
-rxn:4:213972:224672,CCN1CCN(c2ccc(-c3cnc(N4CCOC(C(=O)N5CCOCC5)C4)c(C(F)(F)F)c3)c(Cl)c2)CC1,MOHYFGFYISSFOM-UHFFFAOYSA-N
-rxn:4:213973:226231,CCCCOc1ncc(-c2cc(C(F)(F)F)cnc2N2CCOC(C(=O)N3CCSCC3)C2)cc1C,IKFSKLQQRBPFOX-UHFFFAOYSA-N
-rxn:4:213980:223491,CC1CN(C(=O)OC(C)(C)C)CCC1c1nccc(-c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)cc(C(F)(F)F)c2)n1,FWIPWVGOEGKSLR-UHFFFAOYSA-N
-rxn:4:213982:225584,CC1CN(C(=O)OC(C)(C)C)CCC1c1cc(-c2ccc(C(=O)N3CCCC3)cc2)ncn1,JUFBLBYRTYNACB-UHFFFAOYSA-N
-rxn:4:213988:224767,CC(C)(C)OC(=O)N1CCCN(c2ccc(-c3cccc(C(=O)N4CCOCC4)c3F)cn2)CC1,KJCMVWMBEXXXGD-UHFFFAOYSA-N
-rxn:4:213990:222810,Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1-c1cc(NC(=O)OC(C)(C)C)ncc1Cl,OPFMMPIHXDCSMA-UHFFFAOYSA-N
-rxn:4:213990:223500,Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1-c1ccc(F)c(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1,VWHBORVCCYFIDC-UHFFFAOYSA-N
-rxn:4:213996:225975,CC1CN(C(=O)OC(C)(C)C)CCN1c1ccncc1-c1ccnc(N2CCOCC2)c1Cl,CUMTYBCIFYUGHQ-UHFFFAOYSA-N
-rxn:4:214014:222426,CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)Nc1ccc(-c3cncc(C(=O)N4CCCSCC4CN4CCCC4)c3)cc12,VYUGWMOHQTYZMQ-UHFFFAOYSA-N
-rxn:4:214027:228693,CCN(C)c1ccc(-c2cnc(N3CCCC(C(=O)N4CCOCC4)C3)c(C(F)(F)F)c2)s1,JSQTXRSPKHPTIA-UHFFFAOYSA-N
-rxn:4:214028:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cc(C(F)(F)F)cnc3N3CCOC(C(=O)N4CCCCC4)C3)c2Cl)CC1,LEMQFWPLHSKYPK-UHFFFAOYSA-N
-rxn:4:214038:224753,Cc1ccc(S(=O)(=O)N2CCCC(Oc3ncc(-c4cc(S(=O)(=O)N5CCCC5)ccc4C)cn3)C2)cc1C,BSBCIHLGIODNKJ-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:4:214067:223831,COc1ccc(-c2ccc(-c3noc(C4CCN(S(=O)(=O)c5ccc(C)cc5)CC4)n3)cc2)cc1S(=O)(=O)N1CCC(C)CC1,OYERMRJBRNCFMD-UHFFFAOYSA-N
-rxn:4:214146:225984,CC(C)(C)OC(=O)N1CCn2c(nc(C(F)(F)F)c2-c2cnc(Cl)c(N3CCOCC3)c2)C1,LAPPLQBOQXCNLQ-UHFFFAOYSA-N
-rxn:4:214179:222810,CC(C)(C)OC(=O)Nc1cc(-c2ccn3cnc(C4CN(C(=O)OC(C)(C)C)C4)c3c2)c(Cl)cn1,DGBHNPLUOOISGX-UHFFFAOYSA-N
-rxn:4:214180:223818,CC(C)(C)OC(=O)N1CC(c2cc3ccc(-c4c(F)cc(F)c5c4ccn5C(=O)OC(C)(C)C)cn3n2)C1,XFEOMXCBFXUEAE-UHFFFAOYSA-N
-rxn:4:214183:223534,CC(C)(C)OC(=O)N1CCC(Oc2cc(-c3ccc4c(C5CN(C(=O)OC(C)(C)C)C5)ncn4c3)c(F)cn2)CC1,VXJPMEIWTHERFE-UHFFFAOYSA-N
-rxn:4:214201:223933,CC(C)(C)OC(=O)N1C2CC1CN(c1ccc(-c3cc4cc(F)ccc4n3C(=O)OC(C)(C)C)cn1)C2,JDCAFTUHDWQCMI-UHFFFAOYSA-N
-rxn:4:214202:222780,CN(C)CCNC(=O)c1cc(F)cc(-c2cnc([C@@H]3[C@H]4CC[C@H](C4)N3C(=O)OC(C)(C)C)nc2)c1,BSEYXIJSESPDLL-USCONSEESA-N
-rxn:4:214202:223799,CC(C)(C)OC(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1c1ncc(-c2ccc(C(F)(F)F)c(OCc3ccccc3)c2)cn1,VWCHOBZSZJOLFE-HOKHCIIBSA-N
-rxn:4:214220:223581,COC(=O)c1cccc2cc(-c3ccc4[nH]c(C5CCCN5C(=O)OC(C)(C)C)nc4c3)n(C(=O)OC(C)(C)C)c12,ANNOEMUBSIZNCH-UHFFFAOYSA-N
-rxn:4:214258:223728,CCCCCC1CCC(c2ccc(-c3cnc(OC4CCN(Cc5ccc6c(c5)CCO6)CC4)nc3)c(F)c2)CC1,SKCJDRIZUUJEDC-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
-rxn:4:214276:225979,CC(C)(C)OC(=O)N1CCC(c2cc3cc(-c4cnc(N5CCOCC5)c(Cl)c4)cnc3[nH]2)CC1,QFRAVCFWKSPHDX-UHFFFAOYSA-N
-rxn:4:214328:223502,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3ccc(CN4CCC(Cn5cnc6ccccc6c5=O)CC4)cc3)cc2F)CC1,NZANWCVYUMLCLF-UHFFFAOYSA-N
-rxn:4:214328:223928,CC(C)(C)OC(=O)N1CCc2ncc(-c3ccc(CN4CCC(Cn5cnc6ccccc6c5=O)CC4)cc3)cc2C1,HTVNMEWVVMOLKS-UHFFFAOYSA-N
-rxn:4:214342:223481,Cc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(-c4ccc(S(=O)(=O)N5CCC(O[Si](C)(C)C(C)(C)C)CC5)cc4F)cc3)CC2)c2ccccc2n1,JTIIHVSFNGDSOY-UHFFFAOYSA-N
-rxn:4:214342:224752,Cc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(-c4ccc(S(=O)(=O)N5CCCC5)cc4C)cc3)CC2)c2ccccc2n1,YPHQISPEWPFKSN-UHFFFAOYSA-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:4:214660:224718,Cn1ncc(-c2ccc(OCCN3CCOCC3)nc2)c1C(=O)N1CCC(C(F)(F)F)CC1,FDMIACFFYKRTSN-UHFFFAOYSA-N
-rxn:4:214677:224325,CCN1CCN(c2cc(-c3ccc(C4=CCN(S(C)(=O)=O)CC4)cc3)ccc2C#N)CC1,RIRWLWYGLZCBDJ-UHFFFAOYSA-N
-rxn:4:214682:223945,CCN1CCN(C(=O)c2ccc(F)c(-c3ccc(OCCCN4CCOCC4)c(F)c3)n2)CC1,IUAXFJBRIIBHND-UHFFFAOYSA-N
-rxn:4:214711:224379,CCS(=O)(=O)N1CCN(c2ccc(-c3ccccc3S(=O)(=O)N3CCN(C)CC3)cn2)CC1,UPMJMCBHJITLCV-UHFFFAOYSA-N
-rxn:4:214730:223992,Cc1ccc(-c2ccc(N3CCN(S(=O)(=O)C4CC4)CC3)nc2)cc1S(=O)(=O)N1CCN(C)CC1,BZTRPAIYZLMKBK-UHFFFAOYSA-N
-rxn:4:214744:224570,CC(c1ccc(-c2ccc(N3CCC(N(C)C)CC3)cc2C#N)cc1)N1CCN(C)CC1,MRDNFPXZDSHJJY-UHFFFAOYSA-N
-rxn:4:214752:224198,CCN1CCN(Cc2ccc(-c3nc(C(=O)N4CCN(C(C)C)CC4)ccc3F)c(F)c2)CC1,YQDPNMWLUBETOW-UHFFFAOYSA-N
-rxn:4:214752:225898,CC(C)N1CCN(C(=O)c2ccc(F)c(-c3cnn(CCN4CCOCC4)c3)n2)CC1,CFYPRWMHHRXFMT-UHFFFAOYSA-N
-rxn:4:214803:222584,O=C(C1CN(c2ccc(-c3ccc(OCCCN4CCNCC4)c(F)c3)cn2)CCO1)N1CCCC1,MCRNPCAOLARCGN-UHFFFAOYSA-N
-rxn:4:214803:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2ccc(N3CCOC(C(=O)N4CCCC4)C3)nc2)CC1,JFSGWTHDVJMHPR-UHFFFAOYSA-N
-rxn:4:214805:223029,CC(C)OC(=O)Nc1ccc(-c2ccc(N3CCCN(S(=O)(=O)C4CC4)CC3)nc2)cc1,YVJSTXMBNPBJTE-UHFFFAOYSA-N
-rxn:4:214818:226232,CN(C)CCOc1cccc(-c2cnc(N3CCN(C(=O)C4CCCO4)CC3)c(Cl)c2)c1,NOJXOELKUCEQIY-UHFFFAOYSA-N
-rxn:4:214820:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnc(N4CCOC(C(=O)N5CCCC5)C4)c(F)c3)c(F)c2)CC1,JXXNSGPLIMTSKO-RZWCHVLBSA-N
-rxn:4:214821:223094,CC(=O)Nc1cc(-c2cnc(N3CCCN(S(=O)(=O)C4CC4)CC3)c(F)c2)ccc1[N+](=O)[O-],IOJBSGYRJBSWMW-UHFFFAOYSA-N
-rxn:4:214829:226259,CCCCOc1ccc(-c2cccnc2N2CCOC(C(=O)N3CCSCC3)C2)cc1Cl,XKUFSPGNBJMMHA-UHFFFAOYSA-N
-rxn:4:214835:227212,CCCCOc1ncccc1-c1cc(Cl)cnc1N1CCOC(C(=O)N2CCOCC2)C1,TUHMJKHESUAMDV-UHFFFAOYSA-N
-rxn:4:214837:226088,CCN(CC)Cc1ccc(-c2cnc(N3CCOC(C(=O)N4CCSCC4)C3)c(Cl)c2)cc1,RHNFMPRUCKUGKC-UHFFFAOYSA-N
-rxn:4:214837:227252,CCCOc1cc(-c2cnc(N3CCOC(C(=O)N4CCSCC4)C3)c(Cl)c2)ccc1Cl,XHDMTBGZGJDMIJ-UHFFFAOYSA-N
-rxn:4:214838:224672,CCN1CCN(c2ccc(-c3cnc(N4CCOC(C(=O)N5CCOCC5)C4)c(F)c3)c(Cl)c2)CC1,WKYWKEILBZBGNF-UHFFFAOYSA-N
-rxn:4:214838:227252,CCCOc1cc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)c(F)c2)ccc1Cl,CMXGUGBQWDSZIU-UHFFFAOYSA-N
-rxn:4:214839:222596,O=C(Nc1ccc(F)c(Cl)c1)c1cccc(-c2cnc(N3CCOC(C(=O)N4CCSCC4)C3)c(F)c2)c1,CVRGLCGNJHUBSH-UHFFFAOYSA-N
-rxn:4:214839:223649,CC(C)(C)OC(=O)N1CCN(c2cccc(-c3cnc(N4CCOC(C(=O)N5CCSCC5)C4)c(F)c3)c2)CC1,GLIYNZCLTUXKBM-UHFFFAOYSA-N
-rxn:4:214839:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2cnc(N3CCOC(C(=O)N4CCSCC4)C3)c(F)c2)CC1,XYTUENRKGDSFSE-UHFFFAOYSA-N
-rxn:4:214839:224672,CCN1CCN(c2ccc(-c3cnc(N4CCOC(C(=O)N5CCSCC5)C4)c(F)c3)c(Cl)c2)CC1,UWWILYXPVXZFFK-UHFFFAOYSA-N
-rxn:4:214839:227218,O=C(C1CN(c2ncc(-c3ccccc3OCCCF)cc2F)CCO1)N1CCSCC1,LDSQPLDSZGHGGP-UHFFFAOYSA-N
-rxn:4:214839:227252,CCCOc1cc(-c2cnc(N3CCOC(C(=O)N4CCSCC4)C3)c(F)c2)ccc1Cl,KFBRPDJSUVSKOT-UHFFFAOYSA-N
-rxn:4:214851:224257,CC1CCCCN1C(=O)c1ccc(Cl)c(-c2cncc(C(=O)N3CCCN(C4CCC4)CC3)c2)c1,ZMJCKXGDFIGKAM-UHFFFAOYSA-N
-rxn:4:214862:222700,O=C(c1cncc(-c2ccc(C(F)(F)F)cc2C2CCCNC2)c1)N1CCCN(C2CCSC2)CC1,DCCDZSDCFOKVLE-UHFFFAOYSA-N
-rxn:4:214862:225093,CCCOc1c(Cl)cc(-c2cncc(C(=O)N3CCCN(C4CCSC4)CC3)c2)cc1OCC,UINZPBGSMDPDTL-UHFFFAOYSA-N
-rxn:4:214865:222546,O=C(C1CCCN(c2ncccc2-c2ccc(OCCNC3CCCCC3)c(F)c2)C1)N1CCOCC1,IMJZFUXTUFCBAT-UHFFFAOYSA-N
-rxn:4:214868:224196,CCN1CCN(Cc2cc(F)cc(-c3cccnc3N3CCOC(C(=O)N4CCCCC4)C3)c2)CC1,FBCAFMACVZCRIG-UHFFFAOYSA-N
-rxn:4:214868:226554,CCCOc1cc(F)c(-c2cccnc2N2CCOC(C(=O)N3CCCCC3)C2)cc1F,NTQIVBOFVDGFAF-UHFFFAOYSA-N
-rxn:4:214869:222465,Cc1nc(N2CCN(Cc3ccccc3)CC2)ccc1-c1cc(C2CCCCC2)nc(C2CCCNC2)c1,YURCBELRWZYZEA-UHFFFAOYSA-N
-rxn:4:214871:226231,CCCCOc1ncc(-c2cnc(N3CCCC(C(=O)N4CCOCC4)C3)c(Cl)c2)cc1C,AWAIJICUFCRUDO-UHFFFAOYSA-N
-rxn:4:214871:226255,CCCCOc1ccc(Cl)cc1-c1cnc(N2CCCC(C(=O)N3CCOCC3)C2)c(Cl)c1,TZTVZYVFBOOLEU-UHFFFAOYSA-N
-rxn:4:214872:223028,CCCNC(=O)c1ccc(F)c(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCCCC3)C2)c1,JKSLTFFQBXOQJB-UHFFFAOYSA-N
-rxn:4:214872:226255,CCCCOc1ccc(Cl)cc1-c1cc(Cl)cnc1N1CCOC(C(=O)N2CCCCC2)C1,CKJHDMHJJDEHCY-UHFFFAOYSA-N
-rxn:4:214872:227252,CCCOc1cc(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCCCC3)C2)ccc1Cl,WPSGZBWXJHTWQE-UHFFFAOYSA-N
-rxn:4:214873:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cnc(N4CCCC(C(=O)N5CCOCC5)C4)c(F)c3)ccn2)CC1,LLSCHYVWOAATSI-UHFFFAOYSA-N
-rxn:4:214873:225636,CC1CCN(c2cc(-c3cnc(N4CCCC(C(=O)N5CCOCC5)C4)c(F)c3)ccn2)CC1,GZYKBFHHVGWWCN-UHFFFAOYSA-N
-rxn:4:214873:227252,CCCOc1cc(-c2cnc(N3CCCC(C(=O)N4CCOCC4)C3)c(F)c2)ccc1Cl,QSXATLMTBIWRNV-UHFFFAOYSA-N
-rxn:4:214875:222634,O=C(C1CCCN(c2ncc(-c3ccc(OCCNC4CCCC4)c(F)c3)cc2F)C1)N1CCSCC1,CVQHVQWGOSTJRC-UHFFFAOYSA-N
-rxn:4:214875:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cnc(N4CCCC(C(=O)N5CCSCC5)C4)c(F)c3)c2Cl)CC1,IJNGSEIAAFVNFH-UHFFFAOYSA-N
-rxn:4:214875:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnc(N4CCCC(C(=O)N5CCSCC5)C4)c(F)c3)c(F)c2)CC1,JGSYKVQSNREREU-FTYYUIOPSA-N
-rxn:4:214880:226554,CCCOc1cc(F)c(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)c(C)c2)cc1F,BBPGOAYZFBFYIU-UHFFFAOYSA-N
-rxn:4:214886:228089,CCCOc1ncccc1-c1cnc(N2CCC(C(=O)N3CCC(F)(F)CC3)CC2)c(F)c1,BSBSUAUZVQGIHR-UHFFFAOYSA-N
-rxn:4:214890:224713,CCCCOc1ccc(-c2cncc(C(=O)N3CCCN(C4CCSCC4)CC3)c2)c(C(F)(F)F)c1,PEVSRZXQSMZBTE-UHFFFAOYSA-N
-rxn:4:215059:222638,CC(NC(=O)OC(C)(C)C)c1cccc(-c2cnn3c2CN(C(=O)OC(C)(C)C)CC3)c1,KXMSOOBOISCJOS-UHFFFAOYSA-N
-rxn:4:215059:223591,CC(C)(C)OC(=O)N1CCN(c2ccc(F)c(-c3cnn4c3CN(C(=O)OC(C)(C)C)CC4)c2)CC1,BAYQHLNVFBLLSF-UHFFFAOYSA-N
-rxn:4:215098:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2nn(C)c3c2CN(C(=O)OC(C)(C)C)CC3)cc1,PODKBNKCKSEFCP-UHFFFAOYSA-N
-rxn:4:215148:222635,C[C@H](NC(=O)OC(C)(C)C)c1cccc(-c2ncc3n2CC(C)(C)N(C(=O)OC(C)(C)C)C3)c1,XYCROBKGOBTRBU-KRWDZBQOSA-N
-rxn:4:215148:222638,CC(NC(=O)OC(C)(C)C)c1cccc(-c2ncc3n2CC(C)(C)N(C(=O)OC(C)(C)C)C3)c1,XYCROBKGOBTRBU-UHFFFAOYSA-N
-rxn:4:215170:223263,CNC(=O)c1ccc(F)c(-c2cncc(C(=O)N3CC(N4C(=O)C5CC=CCC5C4=O)C3)c2)c1,ZXRHSTQUGWGRMP-UHFFFAOYSA-N
-rxn:4:215295:223669,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc4n3CCc3ccccc3C43CCN(C(=O)OC(C)(C)C)CC3)cn2)CC1,GZNYXTKBFIXEMV-UHFFFAOYSA-N
-rxn:4:215708:223650,CC(C)(C)OC(=O)N1CCN(c2ccccc2-c2cnc(C(=O)N3CCOCC3)nc2)CC1,FYYHMMJMJRDQRF-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:4:215907:224405,CN1CCN(S(=O)(=O)c2ccc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCCC3)cn2)CC1,DKZWDRBAJGEHRS-UHFFFAOYSA-N
-rxn:4:215945:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3cc(N4CCC(N(C)C)CC4)ccn3)cc2)CC1,RQGXUPKVYLUQOX-UHFFFAOYSA-N
-rxn:4:215955:223997,Cc1cc(-c2cnccc2N2CCC(N(C)C)CC2)cc(C)c1S(=O)(=O)N1CCOCC1,SKRUZIHLQAWWAF-UHFFFAOYSA-N
-rxn:4:215981:223832,COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1-c1nc(N2CCCCC2)cc(C(C)(C)C)n1,HIVAVCQQTXIALO-UHFFFAOYSA-N
-rxn:4:216055:223532,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)cc(-c3cnc4cnn(CC(F)(F)F)c4c3)c2)CC1,MVNLEROFVFYAAU-UHFFFAOYSA-N
-rxn:4:217123:223671,CN1CCN(c2ncc(-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)o2)CC1,NDLCSVUCPVMRAT-UHFFFAOYSA-N
-rxn:4:217839:223595,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc4[nH]nc(N5CCOCC5)c4c3)cc2F)CC1,DNDAAOZYIOUSAV-UHFFFAOYSA-N
-rxn:4:218567:225373,COc1cc(-c2cnc(N(C)CC3CN(C(=O)OC(C)(C)C)C3)cn2)c(Cl)cc1OC(F)(F)F,ZGOXYHHYYNNOFQ-UHFFFAOYSA-N
-rxn:4:218589:225232,CC1CCN(c2cc(-c3cnc(OCC4CCCN(S(=O)(=O)c5ccc(C#N)cc5)C4)nc3)cnc2Cl)CC1,NZRJMCYDXFLDOW-UHFFFAOYSA-N
-rxn:4:218590:224991,N#Cc1ccccc1S(=O)(=O)N1CCCC(COc2ncc(-c3cc(C4CC4)nc(N4CCCC4)c3)cn2)C1,DNKAPPDGEZKMEC-UHFFFAOYSA-N
-rxn:4:218600:225984,CC(C)(C)OC(=O)N1CCN(CCn2cc(-c3cnc(Cl)c(N4CCOCC4)c3)cn2)CC1,LRIBACFQUYCVEK-UHFFFAOYSA-N
-rxn:4:218605:224325,COc1ncccc1C(=O)N1CCC(COc2ncc(-c3ccc(C4=CCN(S(C)(=O)=O)CC4)cc3)cn2)CC1,CCEJKKHRVNIYAP-UHFFFAOYSA-N
-rxn:4:218620:223650,CC(C)(C)OC(=O)N1CCN(c2ccccc2-c2cnc(OCC3CCCN(Cc4csc(C5CC5)n4)C3)nc2)CC1,JOLFIYWHWAPEHQ-UHFFFAOYSA-N
-rxn:4:218652:223775,COc1ccc2c(c1)c(-c1cnc(N(C)CC3CCN(C(=O)OC(C)(C)C)CC3)cn1)cn2C(=O)OC(C)(C)C,FZLDMPVVAWKMRH-UHFFFAOYSA-N
-rxn:4:218652:225348,COC(=O)c1ccc(C(F)(F)F)cc1-c1cnc(N(C)CC2CCN(C(=O)OC(C)(C)C)CC2)cn1,BZOBJHOKIWXDRL-UHFFFAOYSA-N
-rxn:4:218666:225898,CC(C)(C)c1ccc(OCC2CCN(C(=O)c3cncc(-c4cnn(CCN5CCOCC5)c4)c3)C2)nn1,ANTKUMKDXYBTPV-UHFFFAOYSA-N
-rxn:4:218677:222826,CCOc1ccc(-c2ccc(N3CCN(C(=O)c4ccc(-c5cccc(S(=O)(=O)N6CCNCC6)c5)o4)CC3)nn2)cc1,JMKPAIVHQHNDTB-UHFFFAOYSA-N
-rxn:4:218682:222629,CC(=O)N1CCC(C(=O)N2CCCC(COc3ncc(-c4cc(C5CCCNC5)nc(C(C)(C)C)c4)cn3)C2)CC1,PUWMMKCQDHXPSQ-UHFFFAOYSA-N
-rxn:4:218682:223812,CC(=O)N1CCC(C(=O)N2CCCC(COc3ncc(-c4cc(F)cc(CN5CCC6(CC5)OCCO6)c4)cn3)C2)CC1,MUPJDOPVXDPXAV-UHFFFAOYSA-N
-rxn:4:218754:223490,Cc1ccc(-c2csc3c(=O)n(C4CCN(C(=O)OC(C)(C)C)CC4)c(=O)n(CC#N)c23)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,DCVXQGIPZGTTFX-UHFFFAOYSA-N
-rxn:4:218768:225984,COc1ccc(CCC(=O)N2Cc3cnc(N4CCOCC4)nc3C2)cc1-c1cnc(Cl)c(N2CCOCC2)c1,TVRUFDVEZIZJPC-UHFFFAOYSA-N
-rxn:4:218777:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3c(C)nn(C(C)CC(=O)N4CCN(S(=O)(=O)c5ccc6ccccc6c5)CC4)c3C)cc2)CC1,XMZLSJNDCMXWTO-UHFFFAOYSA-N
-rxn:4:218831:223532,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)cc(-c3cnc(OCC4CCN(C(=O)c5cscn5)CC4)nc3)c2)CC1,WLMGGNCTLCSEEH-UHFFFAOYSA-N
-rxn:4:218832:222546,O=C(c1cscn1)N1CCCC(COc2ncc(-c3ccc(OCCNC4CCCCC4)c(F)c3)cn2)C1,WINHTMBAWFJCRX-UHFFFAOYSA-N
-rxn:4:218877:223728,CCCCCC1CCC(c2ccc(-c3cnc(OC4CCCN(C(=O)CN5CCOC5=O)C4)nc3)c(F)c2)CC1,MOKROIOPAGCYTN-UHFFFAOYSA-N
-rxn:4:218886:224196,CCN1CCN(Cc2cc(F)cc(-c3cnc(OCC4CCCN(C(=O)c5scnc5C)C4)nc3)c2)CC1,NBMKIJCZNPXONL-UHFFFAOYSA-N
-rxn:4:218888:224196,CCN1CCN(Cc2cc(F)cc(-c3cnc(OCC4CCCN(C(=O)c5cnoc5C)C4)nc3)c2)CC1,QKANPUKMASDTJD-UHFFFAOYSA-N
-rxn:4:218971:224592,Cc1nc(C)c(C(=O)N2CCC(COc3ncc(-c4cc(C5(C#N)CCCCC5)ccc4F)cn3)CC2)s1,RJAOVMGFKZKCIB-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:4:218973:223945,CCc1cnc(OC2CCN(C(=O)c3cncc(-c4ccc(OCCCN5CCOCC5)c(F)c4)c3)CC2)nc1,HJWKIAGFUAQQFP-UHFFFAOYSA-N
-rxn:4:218998:225561,CC(C)(C)OC(=O)c1ccccc1-c1cnc(OCC2CCCN(C(=O)N3CCOCC3)C2)nc1,RUIIYBNUIREATP-UHFFFAOYSA-N
-rxn:4:218999:223574,C[C@H]1CN(C(=O)OC(C)(C)C)CCN1c1ncc(-c2cccc(CN3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1C#N,AIESFKAIEKIBFQ-QHCPKHFHSA-N
-rxn:4:218999:223933,C[C@H]1CN(C(=O)OC(C)(C)C)CCN1c1ncc(-c2cc3cc(F)ccc3n2C(=O)OC(C)(C)C)cc1C#N,QBMYBQYGFMWWRO-SFHVURJKSA-N
-rxn:4:219002:222948,Cn1cccc(C(=O)N2CCCC(COc3ncc(-c4cnc(N5CCC(O)CC5)nc4Cl)cn3)C2)c1=O,MBVVVYGAMYBNLU-UHFFFAOYSA-N
-rxn:4:219046:226088,CCN(CC)Cc1ccc(-c2cnc(OCC3CCCN(C4CCN(C5CC5)C4=O)C3)nc2)cc1,RBYADEMHGLTTOB-UHFFFAOYSA-N
-rxn:4:219053:225172,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cncc(-c4cc(CN5CCOCC5)ccc4F)c3)cn2)CC1,BVOMXUDGBJRIIJ-UHFFFAOYSA-N
-rxn:4:219053:225979,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cncc(-c4cnc(N5CCOCC5)c(Cl)c4)c3)cn2)CC1,JDKNHHUOWFOCDE-UHFFFAOYSA-N
-rxn:4:219071:223506,Cc1ccc(-c2cc(C(=O)N3CCN(S(=O)(=O)c4ccc(-c5cccc(S(=O)(=O)N6CCN(C(=O)OC(C)(C)C)CC6)c5)cc4)CC3)n[nH]2)cc1,DTOFXDRDSATEEP-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:4:219120:225875,O=C(c1cncc(-c2ccc(N3CCOCC3)cc2Cl)c1)N1CC2CCCC2(COc2ncc(F)cn2)C1,FLZJGBPJTGHQJE-UHFFFAOYSA-N
-rxn:4:219155:224243,Cc1cnc(OCC23CCCC2CN(C(=O)c2cncc(-c4cc(F)cc(C(=O)N5CCCCC5C)c4)c2)C3)nc1,YPYSXZLSIBOVHT-UHFFFAOYSA-N
-rxn:4:219156:223951,CCOc1ccc(N2CCn3c2nn(Cc2ccc(-c4ccc(OCCN5CCN(C)CC5)c(F)c4)cc2)c(=O)c3=O)cc1,XGBBAEIUFWADLP-UHFFFAOYSA-N
-rxn:4:219182:225984,COc1ccc(-c2cnc(Cl)c(N3CCOCC3)c2)c(C(=O)N2CCN(C(=O)c3cc4n(n3)CCCC4)CC2)c1,DGGNFCPOQMYQKW-UHFFFAOYSA-N
-rxn:4:219242:223594,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)cc(-c3cnnn3C3CN(C(=O)OC(C)(C)C)C3)c2)CC1,NKJKCPVMUNZKAM-UHFFFAOYSA-N
-rxn:4:219244:224486,CC(C)N(C(=O)c1cccc(-c2ncnn2C2CN(C(=O)OC(C)(C)C)C2)c1)C(C)C,BFYHXFWOJGUXQX-UHFFFAOYSA-N
-rxn:4:219258:223784,CCN1CCN(CCOc2ccc(-c3cnc(N4CC(Oc5ccnc(C(F)(F)F)c5)C4)nc3)cc2F)CC1,JXASQKRMOPGXMG-UHFFFAOYSA-N
-rxn:4:219294:222546,Cc1nc(C(=O)N2CCC(Oc3ncc(-c4ccc(OCCNC5CCCCC5)c(F)c4)cn3)C2)cs1,LUPDQOUSOGNMEK-UHFFFAOYSA-N
-rxn:4:219315:223595,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(N4CCC(COc5ccc(F)cn5)C4)nc3)cc2F)CC1,IVXXRHOBYNOWNQ-UHFFFAOYSA-N
-rxn:4:219334:222634,CC(C)(C)OC(=O)N1CCN(c2nnc(-c3ccc(OCCNC4CCCC4)c(F)c3)s2)CC1,XZDXPWDDKHSSJM-UHFFFAOYSA-N
-rxn:4:219364:223812,O=C(c1cncc(-c2cc(F)cc(CN3CCC4(CC3)OCCO4)c2)c1)N1CCCC(Oc2ncc(Cl)cn2)C1,SXKOIOMUOQGSNF-UHFFFAOYSA-N
-rxn:4:219373:224167,CN(Cc1ccc(-c2cnn(C3CCN(C(=O)OC(C)(C)C)CC3)n2)cc1)C(=O)OC(C)(C)C,KWJVEOBGBUPPQX-UHFFFAOYSA-N
-rxn:4:219383:222546,Fc1cc(-c2cnc(OCC3CCCN(c4ccncc4Cl)C3)nc2)ccc1OCCNC1CCCCC1,WQVIHVXPTPBOAJ-UHFFFAOYSA-N
-rxn:4:219383:223728,CCCCCC1CCC(c2ccc(-c3cnc(OCC4CCCN(c5ccncc5Cl)C4)nc3)c(F)c2)CC1,YVFUETSZHHYCJT-UHFFFAOYSA-N
-rxn:4:219384:223928,CC(C)(C)OC(=O)N1CCc2ncc(-c3cnc(N4CCC(COc5ccncc5Cl)CC4)nc3)cc2C1,LSSMEPLOVGQUAC-UHFFFAOYSA-N
-rxn:4:219384:224280,CC(C)(C)OC(=O)N1CCc2sc(-c3cnc(N4CCC(COc5ccncc5Cl)CC4)nc3)cc2C1,UNYSNTODOLBJQH-UHFFFAOYSA-N
-rxn:4:219405:223059,CC(C)(C)OC(=O)N1CCN(c2ccnc(-c3ccc(N4CCNCC4)cc3Cl)n2)CC1,FNPANVITSOHDRH-UHFFFAOYSA-N
-rxn:4:219407:223575,CC(C)(C)OC(=O)N1CCN(Cc2ccccc2-c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2)CC1,QJFAXCCUIBEWRL-UHFFFAOYSA-N
-rxn:4:219407:223945,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3ccc(OCCCN4CCOCC4)c(F)c3)cn2)CC1,VECVGTIOWGJRKC-UHFFFAOYSA-N
-rxn:4:219439:223508,O=S(=O)(c1ccc(Cl)cc1)N1CCN(c2ccc(-c3cccc(CN4CCN(c5nccc(C(F)(F)F)n5)CC4)c3)cn2)CC1,CBHVEOKDACKNCT-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:4:219457:223885,CC1CN(C(=O)OC(C)(C)C)CCC1n1cc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3)nn1,CRLVDGNXYGEMGO-UHFFFAOYSA-N
-rxn:4:219462:223035,CC(C)(C)C(=O)Nc1ncccc1-c1cnc(OC2CCCN(S(=O)(=O)N3CCCC3)C2)nc1,UUOOFICRENJHDE-UHFFFAOYSA-N
-rxn:4:219463:223696,Cc1cc(OCC2CCN(c3ncc(-c4ccc(S(=O)(=O)N5CCC6(CC5)OCCO6)cc4)cn3)CC2)ccn1,SVPCTOWUQSWPPE-UHFFFAOYSA-N
-rxn:4:219471:225737,CCCCOc1c(F)ccc(-c2cnc(SC)nc2N2CCOC(C(=O)N3CCCC3)C2)c1F,CMMKCCXCTKSBRF-UHFFFAOYSA-N
-rxn:4:219498:222634,COc1nc(N2CCOC(C(=O)N3CCOCC3)C2)ncc1-c1ccc(OCCNC2CCCC2)c(F)c1,SPHDCXVMPNUMOD-UHFFFAOYSA-N
-rxn:4:219501:225165,COc1cc(-c2cnc(SC)nc2N2CCOC(C(=O)N3CCOCC3)C2)ccc1N1CCOCC1,RRUDETIJISZOHQ-UHFFFAOYSA-N
-rxn:4:219501:226259,CCCCOc1ccc(-c2cnc(SC)nc2N2CCOC(C(=O)N3CCOCC3)C2)cc1Cl,AJGZXSQXYMRDJE-UHFFFAOYSA-N
-rxn:4:219501:227551,COC(=O)c1cc(-c2cnc(SC)nc2N2CCOC(C(=O)N3CCOCC3)C2)ccc1Cl,QEFHJVFKIMKGQJ-UHFFFAOYSA-N
-rxn:4:219524:224672,CCN1CCN(c2ccc(-c3cncc(C(=O)N4CCCC(Oc5nc(C)cc(C)n5)C4)c3)c(Cl)c2)CC1,VXZAGRUZCPUZKN-UHFFFAOYSA-N
-rxn:4:219533:222634,CSc1ncc(-c2ccc(OCCNC3CCCC3)c(F)c2)c(N2CCCC(C(=O)N3CCOCC3)C2)n1,ZJABAZDWGZWKHA-UHFFFAOYSA-N
-rxn:4:219535:223696,Cn1cc(S(=O)(=O)N2CCCN(C(=O)c3ccccc3-c3ccc(S(=O)(=O)N4CCC5(CC4)OCCO5)cc3)CC2)cn1,MDFGNZKKHFDIQV-UHFFFAOYSA-N
-rxn:4:219543:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(S(=O)(=O)N2CCN(c3nc(C)cc(C)c3C#N)CC2)cc1,UTHJGCWHBHCWHL-UHFFFAOYSA-N
-rxn:4:219543:222998,Cc1cc(C)c(C#N)c(N2CCN(S(=O)(=O)c3ccc(-c4cc(F)cc(C5CCCNC5)c4)cc3)CC2)n1,NVCSHDLNMYWROA-UHFFFAOYSA-N
-rxn:4:219560:225295,Cc1nc(S(=O)(=O)N2CCCN(C(=O)c3ccccc3-c3ccccc3S(=O)(=O)N3CCCC3)CC2)cn1C,YNHIYDXMDVCIIV-UHFFFAOYSA-N
-rxn:4:219653:223064,CC(C)(C)OC(=O)N1CCN(c2nc3ccc(-c4ccc(C5CCNCC5)nc4F)nc3s2)CC1,FGPJXLNILQGMBP-UHFFFAOYSA-N
-rxn:4:219653:225172,CC(C)(C)OC(=O)N1CCN(c2nc3ccc(-c4cc(CN5CCOCC5)ccc4F)nc3s2)CC1,WBOFDILFTPJDDF-UHFFFAOYSA-N
-rxn:4:219661:224082,CCC(C(=O)OC(C)(C)C)c1cccc(-c2nc3c(c(=O)n(Cc4cccc(Cl)c4)c(=O)n3C)n2C(C)C(C)=O)c1,JJMVHKUZWWWVIG-UHFFFAOYSA-N
-rxn:4:219687:225984,CC(C)(C)OC(=O)N1CCC(n2nnc3ccc(-c4cnc(Cl)c(N5CCOCC5)c4)cc32)CC1,NRIMOHYUSSHLSI-UHFFFAOYSA-N
-rxn:4:219688:225977,CC(C)(C)OC(=O)N1CCC(c2nc3ccc(-c4cc(Cl)cnc4N4CCOCC4)cn3n2)CC1,XIUIPRJSVFOGTH-UHFFFAOYSA-N
-rxn:4:219689:224271,CC(C)(C)OC(=O)N1CCN(c2ccc3ncc(-c4cc5cccnc5n4C(=O)OC(C)(C)C)n3c2)CC1,QOVNSXGOUCJRQT-UHFFFAOYSA-N
-rxn:4:219689:225984,CC(C)(C)OC(=O)N1CCN(c2ccc3ncc(-c4cnc(Cl)c(N5CCOCC5)c4)n3c2)CC1,YAEZLHHOVYAALV-UHFFFAOYSA-N
-rxn:4:219691:225947,CN1CCN(c2ncc(-c3cnn4c(Cl)cc(C5CCCN(C(=O)OC(C)(C)C)C5)nc34)cn2)CC1,OCSHHMZAIJEEQM-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:4:219692:225979,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cnc(N4CCOCC4)c(Cl)c3)c3cnc(Cl)nc32)CC1,ZDQSUUGNFKSSSY-UHFFFAOYSA-N
-rxn:4:219716:224497,CCN1CCN(Cc2ccc(-c3ccc(CC(=O)N4CC5CN(c6cc(C)ncn6)CC5C4)cc3)cc2)CC1,GLGLXXVPKZXFBX-UHFFFAOYSA-N
-rxn:4:219759:225313,CCN1CCN(C(=O)c2cc3n(n2)CC(c2ccc(-c4ccc(N5CCN(C)CC5)nc4F)cc2)OC3)CC1,LWXKPAKQWUHCLK-UHFFFAOYSA-N
-rxn:4:219759:225975,CCN1CCN(C(=O)c2cc3n(n2)CC(c2ccc(-c4ccnc(N5CCOCC5)c4Cl)cc2)OC3)CC1,JPZYMESJHQEKIC-UHFFFAOYSA-N
-rxn:4:219766:223790,CC(C)(C)OC(=O)N1CCCC1c1cncc(-c2cncc(C(=O)N3CCC(Cn4nc5c(cc4=O)CCCC5)CC3)c2)c1,GBKLENJBEJSOOX-UHFFFAOYSA-N
-rxn:4:219867:222693,CCN1CCN(c2ncc(-c3ccc(S(=O)(=O)NC4CCCCC4)cc3)cc2[N+](=O)[O-])CC1,WECBPIPCKVDCGY-UHFFFAOYSA-N
-rxn:4:219867:222694,CCN1CCN(c2ncc(-c3cccc(S(=O)(=O)NC4CCCCC4)c3)cc2[N+](=O)[O-])CC1,XYSMXIQFCWBZKR-UHFFFAOYSA-N
-rxn:4:219903:222514,COc1ccc(-c2cnc(N3CCN(C(C)C)CC3)c([N+](=O)[O-])c2)cc1S(=O)(=O)NC1CCCCC1,JVGDWIDEWDLIFF-UHFFFAOYSA-N
-rxn:4:219903:222716,CC(C)N1CCN(c2ncc(-c3ccc(S(=O)(=O)NC4CCCC4)c(F)c3)cc2[N+](=O)[O-])CC1,VVOJNRXERNJOTN-UHFFFAOYSA-N
-rxn:4:219909:223649,Cn1cnc(N2CCC(Oc3ccncc3-c3cccc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)C2)cc1=O,DLMUKVXJRUOBDO-UHFFFAOYSA-N
-rxn:4:219909:223670,Cn1cnc(N2CCC(Oc3ccncc3-c3cccnc3N3CCN(C(=O)OC(C)(C)C)CC3)C2)cc1=O,KWQYRQISYWRUKY-UHFFFAOYSA-N
-rxn:4:219931:222982,O=S(=O)(C1CC1)N1CCCN(c2ncc(-c3ccc(CN4CC[C@@H](O)C4)cc3)cn2)CC1,UXGFSAINPDSRQY-OAQYLSRUSA-N
-rxn:4:219934:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cnc(N4CCOC(C(=O)N5CCCC5)C4)nc3)ccn2)CC1,WLHUUEPIUCYYAL-UHFFFAOYSA-N
-rxn:4:219955:222634,O=C(C1CN(c2ncc(-c3ccc(OCCNC4CCCC4)c(F)c3)cn2)CCO1)N1CCSCC1,GSXMJYKYIXKQTJ-UHFFFAOYSA-N
-rxn:4:219955:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cnc(N4CCOC(C(=O)N5CCSCC5)C4)nc3)ccn2)CC1,RKLRMPPZMCXZMT-UHFFFAOYSA-N
-rxn:4:219955:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnc(N4CCOC(C(=O)N5CCSCC5)C4)nc3)c(F)c2)CC1,BAHDVTHBROKWLP-BWZATIJHSA-N
-rxn:4:219955:226249,CCCCOc1cc(Cl)cc(-c2cnc(N3CCOC(C(=O)N4CCSCC4)C3)nc2)c1,LIRHNBGBFDRDHD-UHFFFAOYSA-N
-rxn:4:219955:226255,CCCCOc1ccc(Cl)cc1-c1cnc(N2CCOC(C(=O)N3CCSCC3)C2)nc1,QUNZMEZGBKAXRU-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:4:219959:222584,O=C(C1CN(c2ncc(-c3ccc(OCCCN4CCNCC4)c(F)c3)cn2)CCO1)N1CCOCC1,QVLDSQWOJQHQNQ-UHFFFAOYSA-N
-rxn:4:219959:226231,CCCCOc1ncc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)nc2)cc1C,MWDHTPPMYLQRQA-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:4:219991:223977,CN1C(=O)CN(C2CCN(C(=O)c3cncc(-c4cc(C(F)(F)F)ccc4C(=O)OC(C)(C)C)c3)CC2)C1=O,FOTHANUFPGMEBI-UHFFFAOYSA-N
-rxn:4:219991:225332,CCOc1ccc(OC(F)(F)F)cc1-c1cncc(C(=O)N2CCC(N3CC(=O)N(C)C3=O)CC2)c1,OBQGPHQWSYAUJB-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:4:220041:223789,COC(=O)c1cc(O[Si](C)(C)C(C)(C)C)cc(-c2nnn3c2CN(C(=O)OC(C)(C)C)CC3)c1,JOSIEEGFCVLPRA-UHFFFAOYSA-N
-rxn:4:220041:224161,CC(C)(C)OC(=O)N1Cc2ccc(-c3nnn4c3CN(C(=O)OC(C)(C)C)CC4)cc2C1,GIWNFBITKMMFBX-UHFFFAOYSA-N
-rxn:4:220221:225172,CN1CCN(C(=O)c2cc3n(n2)CC(c2ccc(-c4cc(CN5CCOCC5)ccc4F)cc2)OC3)CC1,AIOJESHHUKILJH-UHFFFAOYSA-N
-rxn:4:220267:223569,Cc1cc(C)c(C)c(C2=NON3N(C(=O)c4ccc(-c5cnc6c(ccn6[Si](C(C)C)(C(C)C)C(C)C)c5F)cc4)c4ccccc4N23)c1C,BUGAJPMMPIYGJT-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:4:220429:222743,CC(c1ccc(-c2cnc(N3CCCN(C4CCOC4)CC3)nc2)cc1)N1CCC(O)CC1,MTVOJODCGDKTQL-UHFFFAOYSA-N
-rxn:4:220936:223592,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cn4ccnc4c(N4CCOCC4)n3)c(Cl)c2)CC1,TWKCWYHLTPZLME-UHFFFAOYSA-N
-rxn:4:220936:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cn4ccnc4c(N4CCOCC4)n3)c2Cl)CC1,LLJXHRGESRXBAJ-UHFFFAOYSA-N
-rxn:4:221106:225641,COc1nccnc1N(C)CC1CCN(C(=O)c2cncc(-c3ccnc(N4CCCC(C)C4)c3)c2)CC1,AOYNEJUOSGWIOV-UHFFFAOYSA-N
-rxn:4:221152:223945,Cc1nnsc1C(=O)N1CCCC(COc2ncc(-c3ccc(OCCCN4CCOCC4)c(F)c3)cn2)C1,HQHCNZCCFAYBKV-UHFFFAOYSA-N
-rxn:4:221173:222948,Cn1nc(C(=O)N2CCCC(COc3ncc(-c4cnc(N5CCC(O)CC5)nc4Cl)cn3)C2)ccc1=O,GAOFUDLMXUOXJE-UHFFFAOYSA-N
-rxn:4:221180:225898,Cc1cc(C(=O)N2CCC(COc3ncc(-c4cnn(CCN5CCOCC5)c4)cn3)CC2)nn1C,HOQUGKNYYXAZGZ-UHFFFAOYSA-N
-rxn:4:221193:227480,CCCOc1nccc(-c2cnc(OCC3CCCN(C(=O)N4CCN(C)CC4)C3)nc2)c1Cl,OJJWQUUYNJXUSC-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:4:221205:224759,O=C(c1cc(F)cc(-c2ccc(CCN3CCN(c4ccnc(N5CCOCC5)n4)CC3)cc2)c1)N1CCOCC1,VCJGZWVJGWKJBP-UHFFFAOYSA-N
-rxn:4:221214:224753,CCN(CC)C(=O)Cn1c(-c2cc(S(=O)(=O)N3CCCC3)ccc2C)nc2c1c(=O)n(C)c(=O)n2C,OUSFPRUJVKZKJP-UHFFFAOYSA-N
-rxn:4:221233:224759,Cc1cn2nc(OCC3CCN(C(=O)c4cncc(-c5cc(F)cc(C(=O)N6CCOCC6)c5)c4)CC3)ccc2n1,PPPDXPRXVPPARX-UHFFFAOYSA-N
-rxn:4:221240:223602,Cn1nc2c(c1CN1CCCC(COc3ncc(-c4ccnc(N5CCN(C(=O)OC(C)(C)C)CC5)c4Cl)cn3)C1)CCC2,BBQDNJTWXTYYIK-UHFFFAOYSA-N
-rxn:4:221249:224720,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc4c(-c5cn(C(=O)OC(C)(C)C)nc5C5CC5)cnn4c3)cc2)CC1,SBXCYYMEZDOSHR-UHFFFAOYSA-N
-rxn:4:221342:223595,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(N4CCC(COc5cnccn5)CC4)nc3)cc2F)CC1,MJMYXKMUGJMFCN-UHFFFAOYSA-N
-rxn:4:221345:222546,Fc1cc(-c2cnc(OCC3CCN(c4ncc(Cl)cn4)CC3)nc2)ccc1OCCNC1CCCCC1,WZCONHZMLKZDNI-UHFFFAOYSA-N
-rxn:4:221347:223532,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)cc(-c3cnc(OCC4CCN(c5ncc(F)cn5)CC4)nc3)c2)CC1,MBEBECOWFJJQRI-UHFFFAOYSA-N
-rxn:4:221352:222584,Fc1cc(-c2cnc(OC3CCN(c4nc(C5CC5)ns4)CC3)nc2)ccc1OCCCN1CCNCC1,GGKFGJSSNRMQAB-UHFFFAOYSA-N
-rxn:4:221369:222584,Cn1nc(C(=O)N2CCCC(Oc3ncc(-c4ccc(OCCCN5CCNCC5)c(F)c4)cn3)C2)ccc1=O,FWBDKDZOLYMNPY-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:4:221382:224361,CCN(CC)S(=O)(=O)c1cc(-c2cncc(C(=O)N3CCN(c4ccc(C5CC5)nn4)CC3)c2)ccc1OC,GYGNNQNQFITWEC-UHFFFAOYSA-N
-rxn:4:221387:223787,Cc1ncnc(OCC2CCN(c3ncc(-c4ccc(OCCCN5CCN(C)CC5)c(F)c4)cn3)CC2)c1C,UHXMCCVYGXVEFD-UHFFFAOYSA-N
-rxn:4:221388:223834,Cc1cc(N2CCCC(COc3ncc(-c4cc(C)c(S(=O)(=O)N5CCN(C)CC5)c(C)c4)cn3)C2)nc(C)n1,GRRRMPQZBOJVDM-UHFFFAOYSA-N
-rxn:4:221394:223579,CC1CN(C(=O)OC(C)(C)C)CCN1c1ccc(-c2cnc(N3CCC(Cn4nc(C5CC5)ccc4=O)CC3)nc2)cc1,NLJKQHSBNXYHIK-UHFFFAOYSA-N
-rxn:4:221395:223835,Cc1cc(F)c(-c2cnc(N3CCC(Cn4cnc(C5CC5)cc4=O)CC3)nc2)cc1S(=O)(=O)N1CCC(C)CC1,QJWCPOGJDZRKDD-UHFFFAOYSA-N
-rxn:4:221395:223999,CC1CCN(S(=O)(=O)c2ccc(F)c(-c3cnc(N4CCC(Cn5cnc(C6CC6)cc5=O)CC4)nc3)c2)CC1,FAYPYRZZHJRSFA-UHFFFAOYSA-N
-rxn:4:221404:223994,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cccc(CN2CCN(c3ccnc(N(C)C)n3)CC2)c1,VGAFEHYTPNEOMD-UHFFFAOYSA-N
-rxn:4:221412:223774,COc1cccc2c1cc(-c1cnc(N3CCC(COc4nc(C)nc(C)c4C)CC3)nc1)n2C(=O)OC(C)(C)C,CSQHXKJQHZTYEH-UHFFFAOYSA-N
-rxn:4:221417:223812,Cc1cc(C)n(-c2ccc(=O)n(C3CCN(C(=O)c4ccc(-c5cc(F)cc(CN6CCC7(CC6)OCCO7)c5)o4)CC3)n2)n1,UVPRXCKFCVRZQG-UHFFFAOYSA-N
-rxn:4:221420:222869,CC(C)CNC(=O)c1cc(-c2ccccc2C(=O)N2CCN(c3ccc(N4CCOCC4)nn3)CC2)ccc1F,OMNRTTFVDMCJPN-UHFFFAOYSA-N
-rxn:4:221432:226177,Cc1cc(N2CCCC2)nc(N2CCN(C(=O)c3cccc(-c4ccnc(C5CCCCC5)c4)c3)CC2)n1,XSUFCNCOQSXSPH-UHFFFAOYSA-N
-rxn:4:221433:222986,Cc1cc(-c2ccc(C(=O)N3CCN(c4nc(C)cc(N5CCCC5)n4)CC3)cc2)cc(C2CCCNC2)n1,KZYORPYSBHIYKZ-UHFFFAOYSA-N
-rxn:4:221444:223026,CCCNC(=O)c1ccc(-c2ccccc2CN2CCN(c3nc(C)cc(N4CCOCC4)n3)CC2)cc1F,MYMHHKMACZVXHU-UHFFFAOYSA-N
-rxn:4:221448:222985,Cc1nc(N2CCOCC2)cc(N2CCN(Cc3ccc(-c4ccc(C5CCCNC5)nc4C)cc3)CC2)n1,AYWPTHBBPSAZAK-UHFFFAOYSA-N
-rxn:4:221453:223118,CCCC(=O)Nc1cccc(-c2ccc(C(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)c1,AGBICCRJSDLZLE-UHFFFAOYSA-N
-rxn:4:221453:227034,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4c(C#N)cccc4C4CC4)cc3)CC2)n1,YQPGRICBLFTTTJ-UHFFFAOYSA-N
-rxn:4:221453:227657,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4ccc(N5CCOCC5)s4)cc3)CC2)n1,RASDFJIJCJDDSH-UHFFFAOYSA-N
-rxn:4:221456:222961,CCCCNC(=O)c1cccc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)c1,PZSONVJHAUYOOC-UHFFFAOYSA-N
-rxn:4:221456:223064,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C5CCNCC5)nc4F)cc3)CC2)n1,UGAVAGKJVOEXCX-UHFFFAOYSA-N
-rxn:4:221456:223170,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cnc(C5CCCNC5)nc4)cc3)CC2)n1,SIZYCXMXTDKEEE-UHFFFAOYSA-N
-rxn:4:221456:223603,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(OCc5cccnc5)c(OC(F)(F)F)cc4Cl)cc3)CC2)n1,LREZJYJKMFZJJQ-UHFFFAOYSA-N
-rxn:4:221456:225222,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(N5CCCCC5C)ncc4F)cc3)CC2)n1,OOONERGOQHZLQA-UHFFFAOYSA-N
-rxn:4:221457:223504,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc(-n4ccn5c(SCC#N)nnc5c4=O)cc3)cc2[N+](=O)[O-])CC1,JDMVUEVNDVLBIM-UHFFFAOYSA-N
-rxn:4:221498:223499,CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(-c3c[nH]c4ncnc(N5CCN(C(=O)OC(C)(C)C)CC5)c34)ccc2Cl)CC1,CNBHXQWPPXEDAU-UHFFFAOYSA-N
-rxn:4:221498:224162,CC(C)(C)OC(=O)N1CCN(c2ncnc3[nH]cc(-c4ccc5c(c4)N(C(=O)OC(C)(C)C)CC5)c23)CC1,GHNSNYSZSURCGM-UHFFFAOYSA-N
-rxn:4:221499:223536,CC(C)(C)OC(=O)N1CCN(c2cc(-c3ccc4ccn(CC(=O)N5CCN(c6ncccn6)CC5)c4c3)cc(F)c2F)CC1,FEXXZJDKZJHUDG-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:4:221553:223812,CCCCn1c(=O)c2c(nc3n2CCCN3c2ccc(-c3cc(F)cc(CN4CCC5(CC4)OCCO5)c3)cc2)n(C)c1=O,HNYFNQHNKNCAJN-UHFFFAOYSA-N
-rxn:4:221639:223638,Cc1ccc(=O)n(CC2CCN(c3ncc(-c4cccc(C5CCCN(C(=O)OC(C)(C)C)C5)c4)cn3)CC2)n1,LXZRFFJOXFIKBI-UHFFFAOYSA-N
-rxn:4:221640:223830,CCN1CCN(S(=O)(=O)c2cc(-c3cnc(OC4CCN(c5nc(C)cc(C)n5)CC4)nc3)ccc2C)CC1,WBODCXOXWSZLDR-UHFFFAOYSA-N
-rxn:4:221641:222634,O=c1ccc(C2CC2)nn1C1CCN(c2ncc(-c3ccc(OCCNC4CCCC4)c(F)c3)cn2)CC1,QWBHGBMZOPOXGP-UHFFFAOYSA-N
-rxn:4:221721:223683,CC(C)(C)OC(=O)N1CCC(Oc2ncc(-c3cnc(N4CCC(Cn5cnc6ccccc6c5=O)CC4)nc3)cn2)C1,PQKREFAFNHFYSX-UHFFFAOYSA-N
-rxn:4:221730:223650,Cc1nc2cc(F)ccc2c(=O)n1CC1CCN(c2ncc(-c3ccccc3N3CCN(C(=O)OC(C)(C)C)CC3)cn2)CC1,SRXHQMMEWGNSDN-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:4:221985:226511,Cn1cc(-c2nc3cnc(-c4cc(Cl)cnc4OCC4CC4)cc3n2[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cn1,QMYIBLSOFHSKIQ-OAQYLSRUSA-N
-rxn:4:222008:222584,Cc1nnc(CN2CCC(Oc3ncc(-c4ccc(OCCCN5CCNCC5)c(F)c4)cn3)CC2)n1C,RQHNYJVVTIQGCB-UHFFFAOYSA-N
-rxn:4:222032:224738,CN(C)c1nccc(N2CCN(c3ncc(-c4cc(OCC5CC5)cc(C(F)(F)F)c4)cc3C(F)(F)F)CC2)n1,KNYAUABOSXDVSX-UHFFFAOYSA-N
-rxn:4:222037:222466,O=S(=O)(c1ccc(-c2cc(C3CCCCC3)nc(C3CCNCC3)c2)cc1)N1CCN(c2ccc(-n3ccnc3)nn2)CC1,VLYZPGSKWCDDAD-UHFFFAOYSA-N
-rxn:4:222037:223505,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCN(c5ccc(-n6ccnc6)nn5)CC4)cc3)cc2)CC1,KPVIBRAPFZWTCT-UHFFFAOYSA-N
-rxn:4:222045:223608,Cc1ccn(-c2ccc(N3CCN(S(=O)(=O)c4cccc(-c5ccc(OC(F)(F)F)c(S(=O)(=O)N6CCOCC6)c5)c4)CC3)nn2)n1,FSYBJPJAFNBSIY-UHFFFAOYSA-N
-rxn:4:222054:226177,CN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccnc(C6CCCCC6)c5)o4)CC3)nn2)CC1,HJFKAOIJKSXHAU-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:4:222062:222937,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C(=O)NCC(F)(F)F)cc4)cc3)CC2)n1,YWWTWNIZQFDBGR-UHFFFAOYSA-N
-rxn:4:222075:223596,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)ccc2-c2cnn(CC3CN(c4nccn5nc(C6CC6)cc45)C3)c2)CC1,UGAOVVREVMOBJY-UHFFFAOYSA-N
-rxn:4:222149:224155,CN1CCN(c2cc(-c3cnc(N4CCN(c5nccc(C(F)(F)F)n5)CC4)nc3)cc(C3CC3)c2)CC1,IFUXMOAGXOXDOW-UHFFFAOYSA-N
-rxn:4:222162:222522,COc1ccc(-c2cnc(N3CCN(c4cc(C5CCC5)ncn4)CC3)nc2)cc1S(=O)(=O)N1CCC(O)CC1,ZOEOTPOJAOATKM-UHFFFAOYSA-N
-rxn:4:222168:222890,COc1cc(-c2cnc(N3CCN(c4cc(C5CCOCC5)ncn4)CC3)nc2)cc(C2CCCNC2)n1,NEWWXTYTYPFIAJ-UHFFFAOYSA-N
-rxn:4:222335:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3cnc(N4CCN(c5cc(C)nc(N6CCCC6)n5)CC4)nc3)c2)CC1,VCSSYIRXIZYAIW-UHFFFAOYSA-N
-rxn:4:222335:223999,Cc1cc(N2CCN(c3ncc(-c4cc(S(=O)(=O)N5CCC(C)CC5)ccc4F)cn3)CC2)nc(N2CCCC2)n1,VSNQSWJZCWSGKM-UHFFFAOYSA-N
-rxn:4:222364:223786,CN1CCN(CCCOc2ccc(-c3cnc(N4CCC(Cn5nc(-n6cncn6)ccc5=O)CC4)nc3)cc2Cl)CC1,POJYRUJWDIMLTC-UHFFFAOYSA-N
-rxn:4:222481:199999,Cc1ccc(C)c(NC(=O)c2cc(-c3ccc4c(=NC(=O)OC(C)(C)C)n(C(=O)OC(C)(C)C)ccc4c3)ccc2F)c1,WYILRUJHNDALNG-UHFFFAOYSA-N
-rxn:4:222602:194831,Cc1cccc2c1N(C(=O)c1ccccc1-c1cc(CC(C)C)sc1S(=O)(=O)NC(C)(C)C)C(C)(C)c1ssc(=S)c1-2,AEKOUHGDIWDGKO-UHFFFAOYSA-N
-rxn:4:222613:184553,CCCNS(=O)(=O)c1ccc(-c2ccc(C(C(=O)OC)C(=O)OC)nc2)c(C(F)(F)F)c1,ZKBKGTWUWBABOX-UHFFFAOYSA-N
-rxn:4:222681:187110,CC(C)N(C(C)C)S(=O)(=O)c1ccc(-c2cccc(CNC(=O)OC(C)(C)C)c2F)cc1,JDAQDTDMCQKXEA-UHFFFAOYSA-N
-rxn:4:222712:186682,CC(=O)c1ccc(-c2ccc(NC(=O)OC(C)(C)C)c(F)c2F)n1C(=O)OC(C)(C)C,UZBTUKPWBXIMDE-UHFFFAOYSA-N
-rxn:4:222723:175936,CC(=O)c1cc(-c2cccc(NS(=O)(=O)N3CCOCC3)c2)ccc1OCC1CCCC1,KLWQDCWUJZULQC-UHFFFAOYSA-N
-rxn:4:222801:176168,Cc1ccc(-c2cc(F)c([Si](C(C)C)(C(C)C)C(C)C)c(F)c2)cc1S(=O)(=O)NC(C)(C)C,QBQUKAZMMONEHJ-UHFFFAOYSA-N
-rxn:4:222820:204572,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc3n2CCN(C(=O)OC(C)(C)C)C3)cc1F,CWAMZZTVXXFZCI-UHFFFAOYSA-N
-rxn:4:222941:186909,CONS(=O)(=O)c1c(C)cc(-c2cc(C(F)(F)F)ccc2/C=N/S(=O)C(C)(C)C)cc1C,HPHIQUFFRQWCLM-BRJLIKDPSA-N
-rxn:4:223080:199999,CC(C)NS(=O)(=O)c1ccc(-c2ccc3c(=NC(=O)OC(C)(C)C)n(C(=O)OC(C)(C)C)ccc3c2)cc1,GWRHMDAGGZMEPL-UHFFFAOYSA-N
-rxn:4:223570:175700,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc(S(=O)(=O)OCC(C)(C)C)cc3)c(F)ncc21,MGSKHTPVBBGIGF-UHFFFAOYSA-N
-rxn:4:223570:176119,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3cc(C(=O)OC(C)(C)C)cc(-c4ccc(Cl)cc4F)c3)c(F)ncc21,KKIBYIYLTKBBOO-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:4:223580:185876,COC(=O)c1ccc2c(c1)cc(-c1cc(C#N)c(C(=O)OC)c(C(F)F)c1)n2C(=O)OC(C)(C)C,RBFYXMIMSVSDRF-UHFFFAOYSA-N
-rxn:4:223581:174500,COC(=O)c1cccc2cc(-c3cc(C(=O)OC(C)(C)C)cc(-c4cc(OC)ccc4F)c3)n(C(=O)OC(C)(C)C)c12,SGHSEJVGVZBARD-UHFFFAOYSA-N
-rxn:4:223641:175091,CCc1cc2c(cc1F)cc(-c1cc(C(=O)OC)c(OC)cc1C(F)(F)F)n2C(=O)OC(C)(C)C,HOYQKMUSZKYCGY-UHFFFAOYSA-N
-rxn:4:223641:186643,CCc1cc2c(cc1F)cc(-c1ccc(C#N)c(C3(C(=O)OC)CCC3)c1)n2C(=O)OC(C)(C)C,XLVAZPMFLZMWAJ-UHFFFAOYSA-N
-rxn:4:223650:185516,Cc1cccc2c1N(CCCOc1ccc(-c3ccccc3N3CCN(C(=O)OC(C)(C)C)CC3)cc1)C(=O)C2=O,LBCYERVFOMDLRI-UHFFFAOYSA-N
-rxn:4:223920:176099,CN(C(=O)c1ccc(-c2cccc(F)c2CO[Si](C)(C)C(C)(C)C)c(Cl)c1)C1CCCCC1,WVBROWUFSVBJPP-UHFFFAOYSA-N
-rxn:4:223940:187285,Cc1cc(C(=O)N(C(C)C)C(C)C)ccc1-c1ccc2c(c1)OCCN2C(=O)OC(C)(C)C,QDIKRCWHMBLLEQ-UHFFFAOYSA-N
-rxn:5:177180:225945:225879,CCOC(=O)c1c(C)cc(-c2ccc(C#CC(F)(F)F)c(F)c2)cc1-c1ccc(N2CCOCC2)cc1F,FHSARVHRKBBCTP-UHFFFAOYSA-N
-rxn:5:177445:223054:223064,CC(C)=CCOc1ccc(-c2ccc(C(C)N3CCC(O)C3)s2)cc1-c1ccc(C2CCNCC2)nc1F,CTNXFYJIJWQQQT-UHFFFAOYSA-N
-rxn:5:177733:225982:226794,CC(C)(C)OC(=O)c1cc(-c2cnc(N3CCSCC3)nc2)cc(-c2cnc(N3CCOCC3)cc2F)c1,CQSQQJWOIQYWDI-UHFFFAOYSA-N
-rxn:5:177733:226794:225834,CC(C)(C)OC(=O)c1cc(-c2cnc(N3CCSCC3)nc2)cc(-c2cc(N3CCCCC3)ncc2F)c1,LBZMNUXWPSEVLB-UHFFFAOYSA-N
-rxn:5:177736:225833:226794,CC(C)(C)OC(=O)c1ccc(-c2cnc(N3CCSCC3)nc2)c(-c2ccnc(N3CCCCC3)c2F)c1,VJJRMFMDKZWXSJ-UHFFFAOYSA-N
-rxn:5:177736:225976:223062,CC(C)(C)OC(=O)c1ccc(-c2cnc(C3CCNCC3)cc2F)c(-c2ccnc(N3CCOCC3)c2F)c1,FEKXOYZZCZTGQO-UHFFFAOYSA-N
-rxn:5:177736:225976:226663,CC(C)(C)OC(=O)c1ccc(-c2ccc(N3CCSCC3)nc2)c(-c2ccnc(N3CCOCC3)c2F)c1,JFHMNGNWGQBZHO-UHFFFAOYSA-N
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-rxn:5:177737:225982:226663,CC(C)(C)OC(=O)c1cc(-c2ccc(N3CCSCC3)nc2)ccc1-c1cnc(N2CCOCC2)cc1F,OALQTYLTQJFAAJ-UHFFFAOYSA-N
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-rxn:5:181906:225470:226686,Cc1ccc(-c2ccc(N3CCC(C)CC3)cc2)c(C2OCCO2)c1-c1c(C)cnn1C1CCCCO1,TYIXLALPQMKWQE-UHFFFAOYSA-N
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-rxn:5:182011:226686:222998,Cc1cnn(C2CCCCO2)c1-c1ccc(C2CCOCC2)cc1-c1cc(F)cc(C2CCCNC2)c1,SGXQDGVHUMJTEK-UHFFFAOYSA-N
-rxn:5:183228:222987:225445,Cc1nc(C2CCNCC2)ccc1-c1cc2c(c(-c3ccccc3OC3CCCCC3)c1)OC(C)(C)CC2,LDNULUFGSYKZDS-UHFFFAOYSA-N
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-rxn:5:189208:223062:229012,CC(C)c1ccsc1-c1cc(-c2cnc(C3CCNCC3)cc2F)ccc1C(=O)ON1C(=O)CCC1=O,DMVAXGXJAVOZCY-UHFFFAOYSA-N
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-rxn:5:189208:228210:227306,Cc1nc(OC(C)C)ccc1-c1cc(-c2ccc(N3CCCC3)s2)ccc1C(=O)ON1C(=O)CCC1=O,LQEKHWSRCPBLDL-UHFFFAOYSA-N
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-rxn:5:189209:223006:229015,CC(C)c1sccc1-c1cc(C(=O)ON2C(=O)CCC2=O)cc(-c2ccc(F)c(C3CCNCC3)c2)c1,BLMDUHDCGGQDJY-UHFFFAOYSA-N
-rxn:5:189209:223008:223112,CC(C)c1ccc2[nH]ncc2c1-c1cc(C(=O)ON2C(=O)CCC2=O)cc(-c2cc(C3CCNCC3)ccc2F)c1,ZFQNQXRMWHWZOW-UHFFFAOYSA-N
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-rxn:5:189209:223062:228567,CCC(C)c1sccc1-c1cc(C(=O)ON2C(=O)CCC2=O)cc(-c2cnc(C3CCNCC3)cc2F)c1,WKCVODPQBVBJSN-UHFFFAOYSA-N
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-rxn:5:189209:229015:223062,CC(C)c1sccc1-c1cc(C(=O)ON2C(=O)CCC2=O)cc(-c2cnc(C3CCNCC3)cc2F)c1,WQEOEIGBFWYFFV-UHFFFAOYSA-N
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-rxn:5:189209:229088:223007,CC(=O)c1csc(-c2cc(C(=O)ON3C(=O)CCC3=O)cc(-c3cc(F)cc(C4CCNCC4)c3)c2)c1,NKSJFLRSMQQZSE-UHFFFAOYSA-N
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-rxn:5:189210:223139:228119,CC(C)Sc1ccc(-c2cccc(-c3ccc(C4CCNCC4)nc3)c2C(=O)ON2C(=O)CCC2=O)cn1,CCGCKGOOTUMNEL-UHFFFAOYSA-N
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-rxn:5:189211:226329:227816,CCCc1ccc(-c2c(C(=O)ON3C(=O)CCC3=O)cccc2-c2ccc(C3(C#N)CC3)c(F)c2)c(C)c1,DVLMFHRYDZDMJZ-UHFFFAOYSA-N
-rxn:5:189211:226762:228878,CSc1cc(-c2cccc(C(=O)ON3C(=O)CCC3=O)c2-c2cnn(C3COC3)c2)cc(C(F)(F)F)c1,CMQPJAZCKHGSJF-UHFFFAOYSA-N
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-rxn:5:190197:227491:223113,CN(Cc1ccc(-c2ccc3c(c2)C(C)(C)C(=O)N3)cc1-c1cnc(OC2CCC2)nc1)C1CCOCC1,NFUTYGMLVXRMKF-UHFFFAOYSA-N
-rxn:5:190198:225592:227897,CN(Cc1c(-c2cccc(C=CC#N)c2)cccc1-c1cc(F)ccc1CN1CCCC1)C1CCOCC1,COGXPFQYZOEUOE-UHFFFAOYSA-N
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-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:5:190199:225832:226064,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2ccc(C3CCCCC3)cc2)cc1CN(C)C1CCOCC1,PHZRWLDGQGSAEU-UHFFFAOYSA-N
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-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:5:190200:228346:223190,CNS(=O)(=O)c1ccc(F)cc1-c1cc(CN(C)C2CCOCC2)cc(-c2cc(C(=O)OC)sc2C)c1,VDQCGQUMTUOGHV-UHFFFAOYSA-N
-rxn:5:190201:222417:226571,CC1CN(CCc2cc(-c3cnc(=O)[nH]c3C(C)C)ccc2-c2cnn(CC3CCOCC3)c2)CCO1,NCIHMEAGSBLVPD-UHFFFAOYSA-N
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-rxn:5:190264:226429:228488,CC1CCN(C(=O)Cc2ccc(-c3ccc(F)cc3[N+](=O)[O-])c(-c3ccc(N4CCCC(C)C4)s3)c2)CC1,FJTDPWPDBPKYRB-UHFFFAOYSA-N
-rxn:5:190265:225683:227345,Cc1nc(C2CCCOC2)ccc1-c1cc(CC(=O)N2CCCC(C)C2)ccc1-c1ccc(OC(C)C)cc1F,KGRQEHNEAYRDIR-UHFFFAOYSA-N
-rxn:5:190299:225872:228122,CCOc1nc(C)ccc1-c1ccc(N2C(=O)SC(=Cc3cc(-c4cc(F)c(F)c(N5CCCC5)c4)ccc3OC)C2=O)cc1,XBZFCDALVSNHER-UHFFFAOYSA-N
-rxn:5:190307:225498:225886,CC1CCN(CCc2cc(-c3cc(C4CCCCC4)ccc3F)ccc2-c2ccc3c(ccn3S(C)(=O)=O)c2)CC1,JMNLQCRYEKGQCL-UHFFFAOYSA-N
-rxn:5:190308:226038:223008,COc1cc(C(F)(F)F)c(F)cc1-c1ccc(-c2cc(C3CCNCC3)ccc2F)c(CCN2CCCC(C)C2)c1,QUISXUPMBHRHRF-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:5:190309:226572:225988,CC1CCCCN1CCc1cc(-c2cnc(OC3CCCC3)nc2)ccc1-c1c(F)cc(C2OCCO2)cc1F,XFRFNNRWJLRHGZ-UHFFFAOYSA-N
-rxn:5:190309:226573:227657,Cc1nc(OC(C)(C)C)ncc1-c1ccc(-c2ccc(N3CCOCC3)s2)c(CCN2CCCCC2C)c1,SXUHXLGBHJCZMJ-UHFFFAOYSA-N
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-rxn:5:190336:226643:228518,CC#Cc1ccc(-c2cc(C(=O)N3CCCC(C)C3)cc(-c3ccc(N4CCOCC4)nc3)c2OC)cc1,DFDLHUYGSGGHTK-UHFFFAOYSA-N
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-rxn:5:190337:227412:226412,COc1c(-c2cc(F)cc(N3CCCC3)c2)cc(C(=O)N2CCC(C)CC2)cc1-c1cnc(C(C)(C)C)cc1F,OQEQOCTZDZHBDF-UHFFFAOYSA-N
-rxn:5:190404:225584:225873,O=C(c1ccc(-c2ccc(C(=O)N3CCSC(c4ccccc4-c4cccc(N5CCOCC5=O)c4)CC3)o2)cc1)N1CCCC1,YCOKZVXYAGXARN-UHFFFAOYSA-N
-rxn:5:190418:223058:226035,COc1ccc(C(F)(F)F)c(F)c1-c1ccc(N2C(=O)CC(Cc3ccc(-c4cc(F)nc(C5CCCNC5)c4)cc3)C2=O)c(C)c1,NZRHWOVUXHJIME-UHFFFAOYSA-N
-rxn:5:190459:228417:225625,O=C(c1ccccc1-c1ccc(F)c(C(F)F)c1)N1CCSC(c2ccccc2-c2cc(OC3CCCC3)ccc2F)CC1,GPWVJVXQCQJUOS-UHFFFAOYSA-N
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-rxn:5:190484:223132:228965,O=C(c1cccc(-c2cccc(N3CCNCC3)c2)c1)N1CCC(c2ccccc2-c2ccc([N+](=O)[O-])nc2)S(=O)(=O)CC1,NGTMHQMIOZLDMK-UHFFFAOYSA-N
-rxn:5:190484:223141:228965,O=C(c1cccc(-c2cncc(C3CCNCC3)c2)c1)N1CCC(c2ccccc2-c2ccc([N+](=O)[O-])nc2)S(=O)(=O)CC1,DAJBKHXXODIUPF-UHFFFAOYSA-N
-rxn:5:190484:223240:227501,O=C(c1cccc(-c2ccc(C3CCNC3)nc2)c1)N1CCC(c2ccccc2-c2ccc(C=C[N+](=O)[O-])cc2)S(=O)(=O)CC1,WHWKSVFKRVBXPV-UHFFFAOYSA-N
-rxn:5:190484:223240:227505,O=C(c1cccc(-c2ccc(C3CCNC3)nc2)c1)N1CCC(c2ccccc2-c2ccc(/C=C/[N+](=O)[O-])cc2)S(=O)(=O)CC1,WHWKSVFKRVBXPV-XDJHFCHBSA-N
-rxn:5:190484:223361:223240,CC(=NO)c1ccc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4ccc(C5CCNC5)nc4)S(=O)(=O)CC3)c2)cc1,QCLHFSJNDHOUNY-UHFFFAOYSA-N
-rxn:5:190484:223361:223242,CC(=NO)c1ccc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4ccnc(C5CCNC5)c4)S(=O)(=O)CC3)c2)cc1,UFAGQKNUGMWJKA-UHFFFAOYSA-N
-rxn:5:190484:223362:223240,C/C(=N\O)c1ccc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4ccc(C5CCNC5)nc4)S(=O)(=O)CC3)c2)cc1,QCLHFSJNDHOUNY-RQXXSLPSSA-N
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-rxn:5:190484:226058:225706,CC(C)c1cccc(C(C)C)c1-c1cccc(C(=O)N2CCC(c3ccccc3-c3cc4ncn(C(C)C)c4cc3F)S(=O)(=O)CC2)c1,VBMDNIWZFAOZIX-UHFFFAOYSA-N
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-rxn:5:190833:228547:226428,CCCc1ccncc1-c1ccc(-c2cc(N3CCCCC3C)cs2)c2c1C(=O)N(C(=O)OC(C)(C)C)C2,VPNQUDGXHZCRHV-UHFFFAOYSA-N
-rxn:5:190859:222982:228499,Cn1nc(C(F)(F)F)cc1-c1c(-c2ccc(CN3CC[C@@H](O)C3)cc2)ccc2c1CCN2C(=O)OC(C)(C)C,IPLPFGRAHJACGQ-HXUWFJFHSA-N
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-rxn:5:190998:225441:228480,COC(=O)c1cc(-c2cc(F)ccc2[N+](=O)[O-])ccc1N1Cc2cc(-c3cc(C4CC4)cnc3C(C)(C)C)ccc2OCC1=O,MDUIZYXKVGERIR-UHFFFAOYSA-N
-rxn:5:190998:225588:227522,COC(=O)c1ccc(-c2ccc(N3Cc4cc(-c5ccccc5CN5CCSCC5)ccc4OCC3=O)c(C(=O)OC)c2)c(C)n1,WDVTWYKOKVBROS-UHFFFAOYSA-N
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-rxn:5:190998:226679:227376,COC(=O)c1cc(-c2cncc(N3CCCC3)c2)ccc1N1Cc2cc(-c3cnc(N4CCCC4)cc3F)ccc2OCC1=O,YCTUYNDPVPZBHN-UHFFFAOYSA-N
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-rxn:5:191049:223378:226794,COc1cc(N2Cc3cc(-c4cnc5c(c4)NCCO5)ccc3OCC2=O)c(OC)cc1-c1cnc(N2CCSCC2)nc1,ZMDJMPVLPZULKA-UHFFFAOYSA-N
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-rxn:5:191049:226915:222995,COc1cc(N2Cc3cc(-c4ccc(C5CCCC5)cc4)ccc3OCC2=O)c(OC)cc1-c1cccc(N2CCCC(O)C2)c1,CASFUZMYLJVLDT-UHFFFAOYSA-N
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-rxn:5:193382:222956:223134,Cc1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3cnccc3C3CCCNC3)c2)c(C2CCCNC2)c1,WGSGULAYHVWEOU-UHFFFAOYSA-N
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-rxn:5:193382:222957:223004,Cc1cc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3ccc(C4CCNCC4)c(F)c3)c2)cc(C2CCCNC2)c1,HJLNPVJWQNQVEL-UHFFFAOYSA-N
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-rxn:5:193382:222987:223201,Cc1nc(C2CCNCC2)ccc1-c1ccc(S(=O)(=O)N2CCOCC2)c(-c2ccccc2C2CCNC2)c1,AKNYCQXCQITBNS-UHFFFAOYSA-N
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-rxn:5:193382:223148:225684,Cc1nc(C2CCOCC2)ccc1-c1cc(-c2ccccc2C2CNCCO2)ccc1S(=O)(=O)N1CCOCC1,ZLLYTSACOBVQFD-UHFFFAOYSA-N
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-rxn:5:193382:223201:223063,O=S(=O)(c1ccc(-c2ccccc2C2CCNC2)cc1-c1cc(F)nc(C2CCNCC2)c1)N1CCOCC1,FPQHFMTVTOIJKH-UHFFFAOYSA-N
-rxn:5:193382:223241:222986,Cc1cc(-c2cc(-c3cncc(C4CCNC4)c3)ccc2S(=O)(=O)N2CCOCC2)cc(C2CCCNC2)n1,NUDIUUVHTFHAEY-UHFFFAOYSA-N
-rxn:5:193382:223242:225868,O=S(=O)(c1ccc(-c2ccnc(C3CCNC3)c2)cc1-c1ccc(N2CCOCC2)c(F)c1)N1CCOCC1,OTLSITSPQFVKBJ-UHFFFAOYSA-N
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-rxn:5:193382:225636:225978,CC1CCN(c2cc(-c3ccc(S(=O)(=O)N4CCOCC4)c(-c4ccc(N5CCOCC5)nc4F)c3)ccn2)CC1,FFOBXTKVAUEOGT-UHFFFAOYSA-N
-rxn:5:193382:225638:227958,CC1CCN(c2ccc(-c3ccc(S(=O)(=O)N4CCOCC4)c(-c4ccnc(C5CCC5)c4)c3)cn2)CC1,VFHLZVGOIMRPDX-UHFFFAOYSA-N
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-rxn:5:193382:225657:227962,Cc1cc(-c2cc(-c3ccc(N4CCOCC4)c(C)c3)ccc2S(=O)(=O)N2CCOCC2)cc(C2CC2)n1,YEBDKORLNXQZBF-UHFFFAOYSA-N
-rxn:5:193382:225661:223139,Cc1cc(N2CCOCC2)ccc1-c1ccc(S(=O)(=O)N2CCOCC2)c(-c2ccc(C3CCNCC3)nc2)c1,YXUVZGMRADMMMZ-UHFFFAOYSA-N
-rxn:5:193382:225661:225661,Cc1cc(N2CCOCC2)ccc1-c1ccc(S(=O)(=O)N2CCOCC2)c(-c2ccc(N3CCOCC3)cc2C)c1,VTHOJBKVBCMYPM-UHFFFAOYSA-N
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-rxn:5:193382:225879:225640,CC1CCCCN1c1cc(-c2cc(-c3ccc(N4CCOCC4)cc3F)ccc2S(=O)(=O)N2CCOCC2)ccn1,WMXUAGSXDIBVDL-UHFFFAOYSA-N
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-rxn:5:193382:225978:225657,Cc1cc(-c2cc(-c3ccc(N4CCOCC4)nc3F)ccc2S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1,UEEUSQOLLLOTBA-UHFFFAOYSA-N
-rxn:5:193382:226366:226649,O=S(=O)(c1ccc(-c2ccnc(N3CCCCC3)c2)cc1-c1cccnc1N1CCOCC1)N1CCOCC1,DGPNUHVGTUYTRI-UHFFFAOYSA-N
-rxn:5:193382:226411:223002,O=S(=O)(c1ccc(-c2ccc(N3CCOCC3)cc2)cc1-c1ccc(C2CCNCC2)cc1F)N1CCOCC1,DMAOWUKADBVFEF-UHFFFAOYSA-N
-rxn:5:193382:226411:227086,O=S(=O)(c1ccc(-c2ccc(N3CCOCC3)cc2)cc1-c1ccnc(C2CCCC2)c1)N1CCOCC1,IMAGDMUCHCHGKS-UHFFFAOYSA-N
-rxn:5:193382:226413:223240,O=S(=O)(c1ccc(-c2cccc(N3CCOCC3)c2)cc1-c1ccc(C2CCNC2)nc1)N1CCOCC1,MLFZJYFGHNRNEZ-UHFFFAOYSA-N
-rxn:5:193382:226413:227432,Cc1nc(C2COC2)ccc1-c1cc(-c2cccc(N3CCOCC3)c2)ccc1S(=O)(=O)N1CCOCC1,GERJVALNGFGVJK-UHFFFAOYSA-N
-rxn:5:193382:226415:225879,O=S(=O)(c1ccc(-c2ccccc2N2CCOCC2)cc1-c1ccc(N2CCOCC2)cc1F)N1CCOCC1,VCABBWCNFBUZRP-UHFFFAOYSA-N
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-rxn:5:193382:226447:222987,Cc1nc(C2CCNCC2)ccc1-c1cc(-c2ccnc(C3CCOCC3)c2)ccc1S(=O)(=O)N1CCOCC1,CWFZNUVQCMQTSG-UHFFFAOYSA-N
-rxn:5:193382:226447:225881,O=S(=O)(c1ccc(-c2ccnc(C3CCOCC3)c2)cc1-c1ccc(C2CCOCC2)nc1F)N1CCOCC1,INTBTDMEDDSTTF-UHFFFAOYSA-N
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-rxn:5:193382:226649:226413,O=S(=O)(c1ccc(-c2cccnc2N2CCOCC2)cc1-c1cccc(N2CCOCC2)c1)N1CCOCC1,JXHHYOSDDFIFFD-UHFFFAOYSA-N
-rxn:5:193382:227086:226415,O=S(=O)(c1ccc(-c2ccnc(C3CCCC3)c2)cc1-c1ccccc1N1CCOCC1)N1CCOCC1,OSSFHLGRFQGHCF-UHFFFAOYSA-N
-rxn:5:193382:227438:225803,O=S(=O)(c1ccc(-c2ccnc(C3CCOC3)c2)cc1-c1ccnc(OC2CCOCC2)c1)N1CCOCC1,ZJMRBPLSZGEPLS-UHFFFAOYSA-N
-rxn:5:193382:227438:225926,O=S(=O)(c1ccc(-c2cc(-c3ccnc(C4CCOC4)c3)ccc2S(=O)(=O)N2CCOCC2)cc1)N1CCC1,ZEICSRMOWODEFN-UHFFFAOYSA-N
-rxn:5:193382:227656:225803,O=S(=O)(c1ccc(-c2cc(N3CCOCC3)cs2)cc1-c1ccnc(OC2CCOCC2)c1)N1CCOCC1,XTJMVHGNHHBYIN-UHFFFAOYSA-N
-rxn:5:193382:227958:225976,O=S(=O)(c1ccc(-c2ccnc(C3CCC3)c2)cc1-c1ccnc(N2CCOCC2)c1F)N1CCOCC1,AACKEZFDTFJMIJ-UHFFFAOYSA-N
-rxn:5:193382:227969:225684,Cc1nc(C2CCOCC2)ccc1-c1cc(-c2ccnc(C)c2C2CC2)ccc1S(=O)(=O)N1CCOCC1,ULAFPVXDEJWPHG-UHFFFAOYSA-N
-rxn:5:193382:227969:225868,Cc1nccc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3ccc(N4CCOCC4)c(F)c3)c2)c1C1CC1,FHYHXTGDSCFVQH-UHFFFAOYSA-N
-rxn:5:193382:227969:225978,Cc1nccc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3ccc(N4CCOCC4)nc3F)c2)c1C1CC1,DVFMHHBEPMDSJX-UHFFFAOYSA-N
-rxn:5:193460:226172:226762,CSc1cc(-c2c(C(=O)N3CCCCC3)cccc2-c2cc(N3CCCC3)ccc2C)cc(C(F)(F)F)c1,LMACBWBEXKBDTN-UHFFFAOYSA-N
-rxn:5:193462:227023:226661,CC(c1ccc(-c2ccc(-c3cc(N4CCN(C)CC4)cs3)c(CN3CCC(=O)CC3)c2)cc1)N(C)C,PHKKOKHZPPEPLF-UHFFFAOYSA-N
-rxn:5:193467:225450:225797,C[C@H]1CCCN1C(=O)c1cc(-c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)ccc1-c1ccc(C(=O)C2CCCC2)cc1,WGBCLJCWTUYGCT-QFIPXVFZSA-N
-rxn:5:193467:225812:226366,Cc1cc(-c2ccc(-c3ccnc(N4CCCCC4)c3)cc2C(=O)N2CCC[C@@H]2C)c(F)c(OC(C)C)c1F,XVENCLDVZHFRDW-QFIPXVFZSA-N
-rxn:5:193506:222958:227905,Cc1ccc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3ccnc(CC(C)C)c3)c2)cc1C1CCNCC1,ZCZMDWBSQGYVCT-UHFFFAOYSA-N
-rxn:5:193506:222958:229061,Cc1ccc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3cnn(C(C)C)c3)c2)cc1C1CCNCC1,AIRDPCGSQFJBHH-UHFFFAOYSA-N
-rxn:5:193506:222959:222958,Cc1cc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3ccc(C)c(C4CCNCC4)c3)c2)ccc1C1CCNCC1,WMYRDPSXMFIWMW-UHFFFAOYSA-N
-rxn:5:193506:222959:227437,Cc1cc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3ccnc(C4CCCO4)c3)c2)ccc1C1CCNCC1,ONTVFJJHUOLWOV-UHFFFAOYSA-N
-rxn:5:193506:222959:227905,Cc1cc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3ccnc(CC(C)C)c3)c2)ccc1C1CCNCC1,QAJBGVCVXKAKJX-UHFFFAOYSA-N
-rxn:5:193506:222959:229061,Cc1cc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3cnn(C(C)C)c3)c2)ccc1C1CCNCC1,LJLMJKDUOHWNRA-UHFFFAOYSA-N
-rxn:5:193506:222960:228125,Cc1cc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3ccnc(OC(C)C)c3)c2)cc(C2CCNCC2)c1,DOWWQYYLNOPJNK-UHFFFAOYSA-N
-rxn:5:193506:222987:223146,Cc1nc(C2CCNCC2)ccc1-c1ccc(S(=O)(=O)N2CCC(=O)CC2)c(-c2cccc(C3CNCCO3)c2)c1,SUDCHEWSPYNAJX-UHFFFAOYSA-N
-rxn:5:193506:223135:227896,N#CC=Cc1ccccc1-c1cc(-c2cccnc2C2CCCNC2)ccc1S(=O)(=O)N1CCC(=O)CC1,JAXMIWBOAHOQKL-UHFFFAOYSA-N
-rxn:5:193506:223138:227506,O=C1CCN(S(=O)(=O)c2ccc(-c3ccnc(C4CCNCC4)c3)cc2-c2cccc(/C=C/[N+](=O)[O-])c2)CC1,KASZUEMILCUHEF-RQZCQDPDSA-N
-rxn:5:193506:223146:222987,Cc1nc(C2CCNCC2)ccc1-c1cc(-c2cccc(C3CNCCO3)c2)ccc1S(=O)(=O)N1CCC(=O)CC1,WHZWEKLMRGIHFB-UHFFFAOYSA-N
-rxn:5:193506:223146:222989,Cc1cc(N2CCNCC2)ccc1-c1cc(-c2cccc(C3CNCCO3)c2)ccc1S(=O)(=O)N1CCC(=O)CC1,YDNSZXBWMHAEAC-UHFFFAOYSA-N
-rxn:5:193506:225593:226652,Cc1cc(-c2cc(-c3cc(F)cc(CN4CCCC4)c3)ccc2S(=O)(=O)N2CCC(=O)CC2)n(C2CCCCO2)n1,KPUMZEBGHRROQC-UHFFFAOYSA-N
-rxn:5:193506:226330:223311,CC(c1ccc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3cccc(C4CNC4)c3)c2)s1)N1CCCC1,FIRLQUDIMMZSTJ-UHFFFAOYSA-N
-rxn:5:193506:226425:222404,CC1CCCCN1c1ccc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3ccc(C4NC(=O)NC4=O)cc3)c2)s1,QNZBSVCSTQDGFB-UHFFFAOYSA-N
-rxn:5:193506:226425:223146,CC1CCCCN1c1ccc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3cccc(C4CNCCO4)c3)c2)s1,IKYVFXZDQIDKRI-UHFFFAOYSA-N
-rxn:5:193506:227048:222987,Cc1nc(C2CCNCC2)ccc1-c1cc(-c2ccc(C(=O)C(C)C)cc2)ccc1S(=O)(=O)N1CCC(=O)CC1,ACYKXYLAPXDUCC-UHFFFAOYSA-N
-rxn:5:193506:227506:223138,O=C1CCN(S(=O)(=O)c2ccc(-c3cccc(/C=C/[N+](=O)[O-])c3)cc2-c2ccnc(C3CCNCC3)c2)CC1,PYDURCWNQMOOAA-RQZCQDPDSA-N
-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:5:193506:227767:228869,CCn1cc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3csc(C(=O)OC)c3)c2)c(C(F)(F)F)n1,MCBZXNTVRIYBLR-UHFFFAOYSA-N
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-rxn:5:193506:228586:222958,Cc1ccc(-c2cc(-c3cccnc3C(C)C)ccc2S(=O)(=O)N2CCC(=O)CC2)cc1C1CCNCC1,FVRVGCLUBDFBPU-UHFFFAOYSA-N
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-rxn:5:193756:225605:228236,Cc1cnc(OC2CCCC2)c(-c2ccc(C(=O)N3CCCCC3C)c(-c3ccnc(F)c3C3CC3)c2)c1,WJOPVTLRJQTHSN-UHFFFAOYSA-N
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-rxn:5:193756:226324:225940,CC1CCCCN1C(=O)c1ccc(-c2cccnc2OC2CCCC2)cc1-c1cc(C(F)(F)F)cnc1C1CC1,ZZPIFPGTFZRSCE-UHFFFAOYSA-N
-rxn:5:193756:226374:225808,CC1CCCCN1C(=O)c1ccc(-c2cncnc2C2CCCCC2)cc1-c1cc(OC2CCCC2)ncc1F,QVVOKHKMYRHFHX-UHFFFAOYSA-N
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-rxn:5:193756:227521:225653,COC(=O)c1cnc(C)c(-c2ccc(C(=O)N3CCCCC3C)c(-c3ccc(N4CCCCC4C)nc3)c2)c1,FSROHCRJHDOISJ-UHFFFAOYSA-N
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-rxn:5:193868:226186:228443,CSc1c(F)ccc(-c2ccc(-c3ccccc3C3CCOCC3)cc2C(=O)N2CC(C)OC(C)C2)c1F,VXWFBRSKLZAOCY-UHFFFAOYSA-N
-rxn:5:193868:228506:225634,CCCc1ccccc1-c1ccc(-c2cnc(N3CCCCC3)c(C)c2)c(C(=O)N2CC(C)OC(C)C2)c1,PYXDKJZQXZTQKL-UHFFFAOYSA-N
-rxn:5:193869:223138:227026,Cc1cc(-c2ccnc(C3CCNCC3)c2)c(S(=O)(=O)N2CCCCC2)cc1-c1ccc(C#N)c(C2CC2)c1,YCLMZKSSIVOSQP-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
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-rxn:5:193870:228443:226658,CSc1c(F)ccc(-c2cc(-c3ccc(N4CCCC4)nc3F)c(S(=O)(=O)N3CCCCC3)cc2C)c1F,GXBXSMFIZZFJTA-UHFFFAOYSA-N
-rxn:5:193871:225886:226608,CC(C)Oc1c(-c2ccc(C(=O)N3CCC4(CC3)CC4)cc2-c2ccc3c(ccn3S(C)(=O)=O)c2)ccc(F)c1F,GUORIODJKJZCMP-UHFFFAOYSA-N
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-rxn:5:193932:228223:225824,CC1CC(C)CN(C(=O)c2ccc(-c3cc(C4CC4)cc(C(F)(F)F)c3)c(-c3ccc(C4CC4)nc3F)c2)C1,CRJXHCYGKZEWFV-UHFFFAOYSA-N
-rxn:5:193967:225597:228214,Fc1cc(C2CC2)ncc1-c1cc(-c2ccc(OC3CCCCC3)nc2)ccc1CN1CCC2(CC1)OCCO2,CLSXWKMUQWLLTR-UHFFFAOYSA-N
-rxn:5:193967:226175:227311,CCC(C)c1cc(F)c(-c2cc(-c3ccc(N4CCCC4)cc3C)ccc2CN2CCC3(CC2)OCCO3)cn1,OHLQOOAAPWIEIE-UHFFFAOYSA-N
-rxn:5:193968:228007:227692,COc1c(-c2ccc(-c3cc(F)ccc3C3CC3)cc2CN2CCC3(CC2)OCCO3)cccc1[N+](=O)[O-],QEHIMLYXNMAETQ-UHFFFAOYSA-N
-rxn:5:193972:223062:228570,Cc1cc(-c2cnc(C3CCNCC3)cc2F)c(S(=O)(=O)N2CCCCCC2)cc1-c1cncc(C2CC2)c1,CRJCWJPIFBCZHQ-UHFFFAOYSA-N
-rxn:5:193972:228711:223146,Cc1cnc(C#N)c(-c2cc(C)c(-c3cccc(C4CNCCO4)c3)cc2S(=O)(=O)N2CCCCCC2)c1,PVQWDOPKECNZEX-UHFFFAOYSA-N
-rxn:5:194399:223062:227507,O=C(c1ccc(-c2cnc(C3CCNCC3)cc2F)c(-c2cccc(C=C[N+](=O)[O-])c2)c1)N1CC2CC2C1,MMTVXSCJUMAILI-UHFFFAOYSA-N
-rxn:5:194688:223130:226469,COc1cc(-c2ccc3c(c2)N(C)C(=O)CO3)cc2c1OCC(=O)N(c1ccc(-c3ccc(CN4CC(O)C4)cc3)cc1)C2,IGYJZOYIVAMJPC-UHFFFAOYSA-N
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-rxn:5:194733:228509:227082,CC(C)c1ccc(-c2ccc(-c3ccccc3N3CCCC3)c(C(=O)N3C4CCC3CC(=C3CC3)C4)c2)cc1,IMBDQBJUKGOXHG-UHFFFAOYSA-N
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-rxn:5:194782:226911:225445,CCc1cc(C)cc(CC)c1-c1ccc(-c2ccccc2OC2CCCCC2)c(C(=O)N2CCC3(CC2)CC(=O)c2ccccc2O3)c1,HEKYDJXKUDLZBV-UHFFFAOYSA-N
-rxn:5:194791:223237:226899,O=C1C2C(c3ccc(-c4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)OC3(C(=O)c4ccccc4C3=O)C2C(=O)N1c1ccccc1-c1[nH]ncc1-c1ccccc1,QDSMHDZEXLWHBY-UHFFFAOYSA-N
-rxn:5:194791:227199:226439,CN1C(=O)Cc2ccc(-c3ccccc3N3C(=O)C4C(c5ccc(-c6ccc(-n7cccc7)cc6F)cc5)OC5(C(=O)c6ccccc6C5=O)C4C3=O)cc21,KQVJEIFCQQPIGZ-UHFFFAOYSA-N
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-rxn:5:194792:226209:227937,COc1ccc(-c2ccc(C3OC4(C(=O)c5ccccc5C4=O)C4C(=O)N(c5ccc(-c6cccc(SC(C)C)c6)cc5)C(=O)C34)cc2)c2cccnc12,GIGTWINXPGZISH-UHFFFAOYSA-N
-rxn:5:194792:227117:225589,Cc1cc(C2CC2)cc(-c2ccc(C3OC4(C(=O)c5ccccc5C4=O)C4C(=O)N(c5ccc(-c6ccc(CN7CCSCC7)cc6)cc5)C(=O)C34)cc2)c1F,FBZRFPOHHLQTAT-UHFFFAOYSA-N
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-rxn:5:197876:227415:227705,COc1cc(C(F)F)ncc1-c1cc2c(cc1-c1ccc(C(C)(C)C)nc1F)S(=O)(=O)N(C(C)(C)C)C2=O,BCTJJSOMKJMOEU-UHFFFAOYSA-N
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-rxn:5:197876:227716:226925,Cc1cc(C2CC2)cc(-c2cc3c(cc2-c2cccc(F)c2OC(F)F)S(=O)(=O)N(C(C)(C)C)C3=O)c1C,XGPIHYDWMSNWJT-UHFFFAOYSA-N
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-rxn:4:174568:224420,COC(=O)c1c(C)oc2cc(-c3cc4c(cc3C)C(C)(C)CCC4(C)C)c(OC(=O)C(C)C)cc12,IBJQQUCHPRBJJU-UHFFFAOYSA-N
-rxn:4:174711:222513,COC(=O)c1cc(OC(F)F)ccc1-c1cc(S(=O)(=O)NC2CCCCC2)ccc1OC,DSIWNTKBOXKGLG-UHFFFAOYSA-N
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-rxn:4:175707:223898,COc1ccc(-c2ccc(N(C(=O)OC(C)(C)C)C(C)C)cc2)c(C(=O)OC(C)(C)C)c1,KMUFBGMXDDFTPV-UHFFFAOYSA-N
-rxn:4:175787:223835,COC(=O)c1cc(-c2cc(S(=O)(=O)N3CCC(C)CC3)c(C)cc2F)ccc1S(=O)(=O)c1cccc(F)c1,JYYRKLZMXHJUFD-UHFFFAOYSA-N
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-rxn:4:176122:223569,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(F)c(-c3cc(C(=O)OC(C)(C)C)cc(-c4ccc(F)cc4F)c3)cnc21,VSHHJOZDUBTUDD-UHFFFAOYSA-N
-rxn:4:176512:223784,CCN1CCN(CCOc2ccc(-c3ccc(OC(F)=CC(F)(F)F)cc3)cc2F)CC1,DDBRXDSXPMCOIS-UHFFFAOYSA-N
-rxn:4:176605:223559,CC(=O)COc1cc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)ccc1F,QZBZZQRJKZNQGD-UHFFFAOYSA-N
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-rxn:4:177839:223526,COC(=O)C1(c2cccc(-c3ccc(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)cc3)c2)CCC1,KGRBYAQEEFIWKJ-UHFFFAOYSA-N
-rxn:4:177978:223941,COC(=O)C1(C)OC1(C)c1cccc(-c2ccc3c(c2)CC(=O)N3C(=O)OC(C)(C)C)c1,HDSAFCNWNBHWLW-UHFFFAOYSA-N
-rxn:4:178113:222519,CC(=O)c1cc(-c2cc(C(F)(F)F)ccc2NC(=O)OC(C)(C)C)ccc1SC(C)(C)C,ZUAYDPWTPRWYOK-UHFFFAOYSA-N
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-rxn:4:178381:222932,COCCNS(=O)(=O)c1ccc(-c2c(C(C)(C)C)cc(C(C)(C)C)cc2C(C)(C)C)cc1,FFOHNSKBSPTOBU-UHFFFAOYSA-N
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-rxn:4:178384:228641,Cc1cc(F)c(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)cc1C,ZQZGREJYSBFIRJ-UHFFFAOYSA-N
-rxn:4:178463:223980,CCOC(=O)C1Cc2c(cccc2-c2cccc(S(=O)(=O)N3CCN(CC)CC3)c2)C1=O,PMKQCWVWOBDDMD-UHFFFAOYSA-N
-rxn:4:178600:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3c(C(C)C)cc(-c4c5ccccc5cc5ccccc45)cc3C(C)C)cc21,WXBBQUWTFGGCDI-UHFFFAOYSA-N
-rxn:4:180611:224179,CN1CCN(CCOc2ccc(-c3ccc4c(c3)C(=O)C(C(=O)C(F)(F)F)C4)cc2)CC1,DAGJGQMYVUXPBA-UHFFFAOYSA-N
-rxn:4:180792:225207,CCOC1CCC2(CC1)Cc1ccc(-c3cc(C4CC4)cc(C(F)(F)F)c3C)cc1C2=O,XLOFGSOWHHYTHQ-UHFFFAOYSA-N
-rxn:4:181954:223506,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cccc(-c3cccc(C4COCCC4=O)c3)c2)CC1,OQBHSWSYWNUHBK-UHFFFAOYSA-N
-rxn:4:182359:224704,COC1CCC2(CC1)Oc1ccc(-c3cc(F)c(F)c(N4CCC(C)CC4)c3)cc1C2=O,KOOBTQSPGQQIHC-UHFFFAOYSA-N
-rxn:4:182374:222793,CC(=O)c1cc2c(cc1-c1cccc(NC(=O)OC(C)(C)C)c1F)C(C)(C)CCC2(C)C,AZAKJTOJAIYOID-UHFFFAOYSA-N
-rxn:4:183269:223557,Cc1cc2c(cc1-c1c(F)ccc3c1ccn3[Si](C(C)C)(C(C)C)C(C)C)C(C)(C)C=CC2(C)C,BURBBPSVLJNTNS-UHFFFAOYSA-N
-rxn:4:183272:226374,c1ncc(-c2ccc3c(c2)OCCOCCOCCOCCOCCO3)c(C2CCCCC2)n1,XPFMJOXXRSWERB-UHFFFAOYSA-N
-rxn:4:183272:226446,Cc1nc(C2CCOC2)ccc1-c1ccc2c(c1)OCCOCCOCCOCCOCCO2,QBYMGQNAMOTPJX-UHFFFAOYSA-N
-rxn:4:183273:225009,Cc1cnc(OC2CCCCC2)c(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,YWIOSDHJHVWCCO-UHFFFAOYSA-N
-rxn:4:183274:228005,CSc1cc(C)c(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCOCCO3)cc1C,AUHNABMHVWFQHW-UHFFFAOYSA-N
-rxn:4:183274:228900,COc1cnc(Cl)cc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCOCCO2,NRWXNEPDQYZOCI-UHFFFAOYSA-N
-rxn:4:183351:223489,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3ccc4c(c3)-c3ccccc3C(=O)C4=O)cc2)CC1,ZQEYQWZRZGKHMO-UHFFFAOYSA-N
-rxn:4:183484:222759,COC(=O)C(C(=O)OC)c1cc(-c2cc(C)cc(NC(=O)OC(C)(C)C)c2)ccc1C#N,CWMIGDVNEGMVIE-UHFFFAOYSA-N
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-rxn:4:183668:224017,CC(C)(C)OC(=O)C(C#N)C(=O)c1ccc(-c2ccc(N3CCCS3(=O)=O)cc2C(F)(F)F)cc1,RRQYLLRUGFATHG-UHFFFAOYSA-N
-rxn:4:183704:227274,CC(=O)SCc1ccc(-c2ccc(OC[C@@H]3CCCN3C(=O)OC(F)(F)F)c(F)c2)cc1,GBEBLXCGCVTAIJ-SFHVURJKSA-N
-rxn:4:183726:223832,CCCOc1cc(-c2cc(S(=O)(=O)N3CCC(C)CC3)ccc2OC)ccc1C(=O)ON1C(=O)CCC1=O,SRIFWFMOFLJYAA-UHFFFAOYSA-N
-rxn:4:183726:224886,CCCOc1cc(-c2ccc(CN3CCC(C)CC3)cc2)ccc1C(=O)ON1C(=O)CCC1=O,WQPXMXQNVUMZRR-UHFFFAOYSA-N
-rxn:4:183743:222828,CCCCOc1cc(-c2cc(F)c(F)cc2S(=O)(=O)NC2CC2)ccc1C(=O)N1CCC1,LHNIAPSBDLQOIW-UHFFFAOYSA-N
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-rxn:4:187108:223784,CCN1CCN(CCOc2ccc(-c3cc(C)ccc3OCCN3CCOCC3)cc2F)CC1,QMCPVJNXAPYIQI-UHFFFAOYSA-N
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-rxn:4:187149:223178,CONC(=O)c1ccc(F)c(-c2ccc(CC(=O)N3CCC(C(F)(F)F)CC3)cc2F)c1,WOBBPXGEBPAIIA-UHFFFAOYSA-N
-rxn:4:187162:223646,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3ccc(C(=O)CC4SC(=O)N(c5ccccc5)C4=O)cc3)cc2)C1,SVYMKDMJWVVMAJ-UHFFFAOYSA-N
-rxn:4:187183:224485,COC(=O)C1CCN(Cc2ccccc2-c2ccn([Si](C(C)C)(C(C)C)C(C)C)c2)CC1,SOVKZJDJSMKDBP-UHFFFAOYSA-N
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-rxn:4:187590:222623,CCC(C)c1cc(-c2ccc(C3CCCN(C(=O)OC(C)(C)C)C3)cc2F)cc(C2CCNCC2)n1,DWZPYPNGFIONLE-UHFFFAOYSA-N
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-rxn:4:187648:226058,CC(C)c1cccc(C(C)C)c1-c1ccc(C2(C)CCCN(C(=O)OC(C)(C)C)C2=O)cc1,QFPYJIMINQSEMJ-UHFFFAOYSA-N
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-rxn:4:187681:223638,Cc1cc(-c2cccc(C3CCCN(C(=O)OC(C)(C)C)C3)c2)cc(C2CCN(C(=O)OC(C)(C)C)CC2C)c1,LNGKNZJRGNKLBA-UHFFFAOYSA-N
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-rxn:4:187971:224305,CC(C)[Si](C(C)C)(C(C)C)n1ccc2ccc(-c3ccc(O[Si](C)(C)C(C)(C)C)c(Cl)c3F)cc21,DUVJCIAQXIMEFJ-UHFFFAOYSA-N
-rxn:4:188329:223534,CCOC(=O)c1cc(-c2cc(OC3CCN(C(=O)OC(C)(C)C)CC3)ncc2F)ccn1,QNVSIUMXRGGHQA-UHFFFAOYSA-N
-rxn:4:188935:223899,COC(=O)c1cc(S(N)(=O)=O)cc(-c2ccc(C(=O)N(C(C)C)C(C)C)cc2OC)c1F,WNUSBENUPZWVQI-UHFFFAOYSA-N
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-rxn:4:189507:223696,O=S(=O)(c1cc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc2)cc(C(F)(F)F)c1)N1CCC1,OEQAVBVSHVFMIC-UHFFFAOYSA-N
-rxn:4:189552:222524,COC(=O)c1cnc(C2CCOC2)cc1-c1cc(F)c(F)cc1S(=O)(=O)N1CCC(O)CC1,UCMXPEHVBWISTD-UHFFFAOYSA-N
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-rxn:4:189807:223699,N#Cc1c(OC2CCCCC2)cccc1-c1ccc(S(=O)(=O)N2CCOCC2)cc1C(F)(F)F,USGLCLOLCCJJBL-UHFFFAOYSA-N
-rxn:4:189840:224180,COC(=O)c1cc(F)c(N2CCCC2)cc1-c1ccccc1OCCN1CCN(C)CC1,RYOAKZRPXQFFMC-UHFFFAOYSA-N
-rxn:4:189922:224169,COC(=O)c1cnc(C2CCOCC2)cc1-c1cccc(OCCCN2CCOCC2)c1,IAEYWWQMJUZHNH-UHFFFAOYSA-N
-rxn:4:189931:224321,COC(=O)c1ccc(N2CCOCC2)cc1-c1cccc(S(=O)(=O)N2CCC(C)CC2)c1,XKQDQPXJVZGQHO-UHFFFAOYSA-N
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-rxn:4:190175:223880,Cc1ccc2c(c1)cc(-c1cc(S(=O)(=O)N3CCCCC3C(F)(F)F)c(F)cc1F)n2C(=O)OC(C)(C)C,SMJFBBIZWVNIRE-UHFFFAOYSA-N
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-rxn:4:190213:223831,COc1ccc(S(=O)(=O)N2CCCCC2)cc1-c1ccc(OC)c(S(=O)(=O)N2CCC(C)CC2)c1,LNVCDGVWMPDVFQ-UHFFFAOYSA-N
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-rxn:4:190214:224015,COc1cc(S(=O)(=O)N2CCCCC2)ccc1-c1cc(S(=O)(=O)N2CCOCC2)c(C)cc1F,WGSQOPUWJQBSPM-UHFFFAOYSA-N
-rxn:4:190216:224405,COc1ccc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCCC2)cc1S(=O)(=O)N1CCCCC1,MTKIKJKDOGCHIN-UHFFFAOYSA-N
-rxn:4:190320:224680,COc1ccc(-c2cc(C(=O)N3CCCCC3)ccc2F)c(C(=O)N2CCCCC2C)c1,RGJPNDDZCUOTGY-UHFFFAOYSA-N
-rxn:4:190320:224734,COc1ccc(-c2ccc(C(F)(F)F)cc2OCC2CC2)c(C(=O)N2CCCCC2C)c1,ROGUFDWYLPSJHD-UHFFFAOYSA-N
-rxn:4:190330:222638,CC(NC(=O)OC(C)(C)C)c1cccc(-c2ccc(C3CCCN3S(=O)(=O)C(C)C)cc2)c1,DCZAPKNFSFNRDE-UHFFFAOYSA-N
-rxn:4:190355:222465,CC1CCN(S(=O)(=O)c2cc(-c3cc(C4CCCCC4)nc(C4CCCNC4)c3)cc(C(F)(F)F)c2)CC1,UWZCVNIPPCHJIE-UHFFFAOYSA-N
-rxn:4:190395:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2cccc(F)c2N2CCCC(C(=O)C(C)C)C2=O)cc1,DDBDMYKMGUTKIJ-UHFFFAOYSA-N
-rxn:4:190411:222542,Cc1ccc(-c2ccc(CC(=O)N3CCC(C)CC3)cc2C)cc1OCCCN1CCNCC1,HCWCTEYURVEQQO-UHFFFAOYSA-N
-rxn:4:190496:223784,CCN1CCN(CCOc2ccc(-c3cc(CN4CCC(C)CC4)cc(C(C)(C)C)c3)cc2F)CC1,BVIIOESXAJDHDT-UHFFFAOYSA-N
-rxn:4:190828:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)C(=O)C3)cc1,CPTJUTNVYGUDPD-UHFFFAOYSA-N
-rxn:4:190857:223536,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cc4c(s3)CN(C(=O)OC(C)(C)C)CC4)cc(F)c2F)CC1,OQDNQVAFITZPED-UHFFFAOYSA-N
-rxn:4:190926:222635,C[C@H](NC(=O)OC(C)(C)C)c1cccc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CCC3=O)c1,KPJFFHDSFZVRAP-KRWDZBQOSA-N
-rxn:4:190926:225287,CC(C)(C)OC(=O)c1cnc(Cl)cc1-c1ccc2c(c1)N(C(=O)OC(C)(C)C)CCC2=O,TVKPYMGQFLREJL-UHFFFAOYSA-N
-rxn:4:191008:225936,CC(C)c1ncc(C(F)(F)F)cc1-c1ccc2c(c1)C(=O)N(C(=O)OC(C)(C)C)C2(C)C,JPBHDGZHZBEEBY-UHFFFAOYSA-N
-rxn:4:191042:223635,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3ccc4c(c3)C(=O)C3(C4)CN(C(=O)OC(C)(C)C)C3)cc2)CC1,QHHHNCGSUYUZOP-UHFFFAOYSA-N
-rxn:4:191042:223941,CC(C)(C)OC(=O)N1CC2(Cc3ccc(-c4ccc5c(c4)CC(=O)N5C(=O)OC(C)(C)C)cc3C2=O)C1,PHMXYBUULVDNJK-UHFFFAOYSA-N
-rxn:4:191055:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2ccc3c(c2)C2(CC2)CN(C(=O)OC(C)(C)C)C3)cc1,ATBANHABXDRHFA-UHFFFAOYSA-N
-rxn:4:191055:224082,CCC(C(=O)OC(C)(C)C)c1cccc(-c2ccc3c(c2)C2(CC2)CN(C(=O)OC(C)(C)C)C3)c1,GFTPBQVVJUIKRG-UHFFFAOYSA-N
-rxn:4:191087:222883,CC(C)(C)NC(=O)c1ccc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CCC3(C)C)c(Cl)c1,LOUSCNDHKAQWLY-UHFFFAOYSA-N
-rxn:4:191097:224174,CCN(C(=O)OC(C)(C)C)c1ccc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)cc1,UJBSJELRZYMTIK-UHFFFAOYSA-N
-rxn:4:191099:226003,COC(=O)c1ccc([N+](=O)[O-])cc1-c1ccc2c(c1)C(=O)C1(CCN(C(=O)OC(C)(C)C)CC1)O2,GFAJKFMZGGTCGP-UHFFFAOYSA-N
-rxn:4:191103:226062,CC(C)c1cc(-c2ccc3c(c2)C2(C=C3)CCN(C(=O)OC(C)(C)C)CC2)cc(C(C)C)c1,FVTJTTQXGWQSDL-UHFFFAOYSA-N
-rxn:4:191118:222812,CC(C)(C)OC(=O)Nc1cc(-c2ccc3c(c2)C2(CCN(C(=O)OC(C)(C)C)CC2)CC3=O)cnc1Cl,BWHNKTFABHDPFY-UHFFFAOYSA-N
-rxn:4:191124:225373,COc1cc(-c2ccc3c(c2)C2(CC3)CCN(C(=O)OC(C)(C)C)CC2)c(Cl)cc1OC(F)(F)F,MMQBNKGQHUUQEI-UHFFFAOYSA-N
-rxn:4:191125:226062,CC(C)c1cc(-c2ccc3c(c2)CCC32CCN(C(=O)OC(C)(C)C)CC2)cc(C(C)C)c1,OHCXELOMXIJGFK-UHFFFAOYSA-N
-rxn:4:191150:224491,CC(C)N(Cc1cc(-c2ccc3c(c2)C2CCC3N2C(=O)OC(C)(C)C)ccc1F)C(C)C,VMRGUYZASSRZDJ-UHFFFAOYSA-N
-rxn:4:191170:223559,COc1ccc2c(c1)-c1c(ssc1=S)C(C)(C)N2C(=O)c1ccccc1-c1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)OC(C)(C)C,LTWLCACBMKOXGL-UHFFFAOYSA-N
-rxn:4:191194:222821,CC(C)c1cccc(C(C)C)c1N1C(=O)c2cccc3c(-c4ccc(F)c(S(=O)(=O)NC(C)(C)C)c4)ccc(c23)C1=O,IBWHPUMKZXBSNC-UHFFFAOYSA-N
-rxn:4:191194:224191,COc1ccc(O[Si](C)(C)C(C)(C)C)cc1-c1ccc2c3c(cccc13)C(=O)N(c1c(C(C)C)cccc1C(C)C)C2=O,CRWOTTKKIXNGRJ-UHFFFAOYSA-N
-rxn:4:191195:224970,CC1C(=O)C(C)(C)N(C(=O)OC(C)(C)C)c2c1cc(-c1ccc(S[Si](C)(C)C(C)(C)C)cc1)c1c2CCC1,RJSVFIDWOWIVRL-UHFFFAOYSA-N
-rxn:4:193237:223998,CC1CCN(S(=O)(=O)c2ccc(-c3cc(S(=O)(=O)N4CCCC4)ccc3F)cc2F)CC1,UOTZVZPTSVYXCL-UHFFFAOYSA-N
-rxn:4:193250:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cccc(C(=O)N4CCOCC4)c3F)ccn2)CC1,DKERLFFWUFSFRE-UHFFFAOYSA-N
-rxn:4:193293:222725,CCNS(=O)(=O)c1ccc(-c2cc(N3CCCS3(=O)=O)cc(C(F)(F)F)c2)c(C(F)(F)F)c1,MYTBLUFIYQBLKU-UHFFFAOYSA-N
-rxn:4:193475:223526,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3ccc(F)cc3CN3CCC(=O)CC3)cc2)CC1,VFQSPBSZNYTPDX-UHFFFAOYSA-N
-rxn:4:193509:224807,CC(C)Oc1cc(C(F)(F)F)cc(-c2cc(C(=O)N3CCS(=O)(=O)CC3)ccc2F)c1F,XXSNHNMHBGMXPA-UHFFFAOYSA-N
-rxn:4:193558:223570,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc(CN4CCS(=O)(=O)CC4)cc3)c(F)ncc21,GVJUBTWXKCMXBJ-UHFFFAOYSA-N
-rxn:4:193603:222700,O=S(=O)(c1ccc(-c2ccc(C(F)(F)F)cc2C2CCCNC2)c(F)c1)N1CCCCC1,MXNLWRGEPXCBFX-UHFFFAOYSA-N
-rxn:4:193697:224376,CN1CCN(S(=O)(=O)c2cccc(-c3ccc(C4C=CN(S(C)(=O)=O)CC4)cc3)c2)CC1,GKIPOTJZMNKDIF-UHFFFAOYSA-N
-rxn:4:193753:223790,CC1CCCCN1C(=O)c1cc(Cl)cc(-c2cncc(C3CCCN3C(=O)OC(C)(C)C)c2)c1,SXKYWHRQWUOMET-UHFFFAOYSA-N
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-rxn:4:207779:222628,O=S(=O)(c1ccc(-c2cc(C3CCC3)nc(C3CCCNC3)c2)cc1)N1CCN2CCC1CC2,NWBAMAQOXMEWQO-UHFFFAOYSA-N
-rxn:4:207959:224460,Cc1ccc(C2=NN3C(C2)c2cc(-c4cc(C5CC5)cc(N5CCCCC5)c4)ccc2OC3C2CCCCC2)cc1,ZCSXYRHPMXSFAU-UHFFFAOYSA-N
-rxn:4:207959:226411,Cc1ccc(C2=NN3C(C2)c2cc(-c4ccc(N5CCOCC5)cc4)ccc2OC3C2CCCCC2)cc1,VTVUAHUQCUPVSD-UHFFFAOYSA-N
-rxn:4:209845:223699,Cc1nccc(N2CCCCC2)c1-c1ccc(S(=O)(=O)N2CCOCC2)cc1C(F)(F)F,LHHORCNSUBCXCY-UHFFFAOYSA-N
-rxn:4:210294:223505,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(-c3cc(F)c4c(Cl)nccc4c3[N+](=O)[O-])cc2)CC1,WDERVGPNTVLRDM-UHFFFAOYSA-N
-rxn:4:210784:223648,CN1CCc2c(cc([N+](=O)[O-])cc2-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2)C1,QXHDDHJKIQRVNG-UHFFFAOYSA-N
-rxn:4:212542:224306,CCOCC(=O)N1CCCC(Oc2ncc(-c3ccc(C(F)(F)F)cc3OC3CCCC3)cn2)C1,CXGCTVXMZSPLPI-UHFFFAOYSA-N
-rxn:4:212587:224742,CCOc1ccc(S(=O)(=O)N2CC(Cn3cc(-c4cc(C5OCCO5)c(OC)cc4OC)cn3)C2)cc1,LYGNWCPOYCNMBL-UHFFFAOYSA-N
-rxn:4:212593:223480,Cc1cc(-c2ccc(C(=O)N(C)C3CN(C(=O)OC(C)(C)C)C3)cn2)cc(C)c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,RULPZGTZTSLSCM-UHFFFAOYSA-N
-rxn:4:212607:225878,CCC(CC)C(=O)N1CCC(Oc2ncc(-c3cc(Cl)cc(N4CCOCC4)c3)cn2)CC1,YDQSVGLVPPGRKK-UHFFFAOYSA-N
-rxn:4:212623:224649,O=C(Cc1ccc(F)cc1-c1cc(F)ccc1OCC1CCCCO1)N1CCCC(COc2ncccn2)C1,AZZACWAZELFOMY-UHFFFAOYSA-N
-rxn:4:212623:224718,O=C(Cc1ccc(F)cc1-c1ccc(OCCN2CCOCC2)nc1)N1CCCC(COc2ncccn2)C1,QBUWMHZILBMISH-UHFFFAOYSA-N
-rxn:4:212631:225940,O=C(c1cncc(-c2cc(C(F)(F)F)cnc2C2CC2)c1)N1CCC(COc2ncccc2C(F)(F)F)CC1,IFIXDJRYPHBMPG-UHFFFAOYSA-N
-rxn:4:212640:225811,CCN(CC)S(=O)(=O)c1c(C)nn(S(=O)(=O)c2ccc(-c3ccc(C4(C(F)(F)F)CC4)cc3)cc2)c1C,XUCZZZKKTZMRRW-UHFFFAOYSA-N
-rxn:4:212649:226512,CCC(C)(C)C(=O)N1CCCC(COc2ncc(-c3ccncc3OCC3CCO3)cn2)C1,YYPYWOFHCYBYJR-UHFFFAOYSA-N
-rxn:4:212650:225975,CC(C)(C)CC(=O)N1CCCC(COc2ncc(-c3ccnc(N4CCOCC4)c3Cl)cn2)C1,MNWCBLJSPXHQRP-UHFFFAOYSA-N
-rxn:4:212658:223673,COC(=O)c1ncc(-c2cccc(COc3cc(C(F)(F)F)ccc3Cl)c2)cc1N1CCN(C(=O)OC(C)(C)C)CC1,PMAJKLJTKPPVAO-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:4:212722:223201,Cc1ccc(S(=O)(=O)N(Cc2ccc(-c3ccccc3C3CCNC3)cc2)C(=O)N2CCN(C)CC2)cc1,ALNZMMPPQAQQJF-UHFFFAOYSA-N
-rxn:4:212730:223062,COc1ccc(-c2noc(C3CCCN(S(=O)(=O)c4ccc(-c5cnc(C6CCNCC6)cc5F)cc4)C3)n2)c(OC)c1,GWCWJYFGODHQEK-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:4:212738:223670,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cccnc3N3CCN(C(=O)OC(C)(C)C)CC3)cc2N2CCOCC2)CC1,NSDUYLOVKLRZBD-UHFFFAOYSA-N
-rxn:4:212738:224720,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cn(C(=O)OC(C)(C)C)nc3C3CC3)cc2N2CCOCC2)CC1,WOROHGIAOWQPKP-UHFFFAOYSA-N
-rxn:4:212839:224771,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4ccc(C)c(S(=O)(=O)N5CCCC5)c4)ccn23)CC1,SIWWQAYIBYMVKG-UHFFFAOYSA-N
-rxn:4:212892:222546,CC(C)(C)OC(=O)N(c1ncc(-c2ccc(OCCNC3CCCCC3)c(F)c2)cn1)C1CC1,MGVWAAUPCXABBA-UHFFFAOYSA-N
-rxn:4:212902:222814,CN(Cc1nn(C)cc1-c1ccnc(NC(=O)OC(C)(C)C)c1F)C(=O)OC(C)(C)C,TXZKFHQXPBMRNJ-UHFFFAOYSA-N
-rxn:4:212905:223635,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3ccnc(OC4CN(C(=O)OC(C)(C)C)C4)n3)cc2)CC1,WGBWNTPSLIKYLV-UHFFFAOYSA-N
-rxn:4:212938:224196,CCC(=O)N1CCCC(COc2ncc(-c3cc(F)cc(CN4CCN(CC)CC4)c3)cn2)C1,SMJGXLYIKBTTAT-UHFFFAOYSA-N
-rxn:4:212938:224672,CCC(=O)N1CCCC(COc2ncc(-c3ccc(N4CCN(CC)CC4)cc3Cl)cn2)C1,PNDZXLINWBAOOI-UHFFFAOYSA-N
-rxn:4:212970:223883,Cc1nc(OC2CN(C(=O)OC(C)(C)C)C2)ncc1-c1ccc2c(c1)CCCN2C(=O)OC(C)(C)C,ZCYPPWCLNOHJDI-UHFFFAOYSA-N
-rxn:4:212984:223508,O=C(c1ccc(C(F)(F)F)nc1)N1CCC(Oc2ccncc2-c2ccc(N3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)nc2)C1,LPIGMSLNPDBSFF-UHFFFAOYSA-N
-rxn:4:212989:227069,COc1ccc(-c2ncc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)s2)c(C(C)C)c1,VXKYCRLINBWKID-UHFFFAOYSA-N
-rxn:4:213010:222426,CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)Nc1ccc(-c3cnn(C[C@@H]4CN(C(=O)OC(C)(C)C)CCO4)c3)cc12,ZZHUUKQPJMLGBP-QFIPXVFZSA-N
-rxn:4:213010:223776,CC(C)(C)OC(=O)N1CCOc2ccc(-c3cnn(C[C@@H]4CN(C(=O)OC(C)(C)C)CCO4)c3)cc2C1,AUXBLTDUXRYAOA-QFIPXVFZSA-N
-rxn:4:213041:223884,CC(C)(C)OC(=O)N1CCC(Oc2cnc(-c3ccc4c(c3)CCN(C(=O)OC(C)(C)C)C4)cn2)CC1,VFJFREUZHBBTAX-UHFFFAOYSA-N
-rxn:4:213044:224279,CC(C)(C)OC(=O)N1CCC(Oc2ncc(-c3ccc4c(c3)ncn4C(=O)OC(C)(C)C)cn2)CC1,NFHMVZDPUYPOBS-UHFFFAOYSA-N
-rxn:4:213044:225947,CN1CCN(c2ncc(-c3cnc(OC4CCN(C(=O)OC(C)(C)C)CC4)nc3)cn2)CC1,RAPLTQALWCKVOY-UHFFFAOYSA-N
-rxn:4:213048:224374,COc1ccc(S(=O)(=O)N2CC(Cn3cc(-c4cc(S(=O)(=O)N5CCCC5)ccc4OC)cn3)C2)cc1C,GDUTWPMWZNSLNX-UHFFFAOYSA-N
-rxn:4:213052:222906,CC(C)(C)OC(=O)Nc1ccncc1-c1cnc(OCC2CCN(C(=O)C3CC(F)(F)C3)CC2)nc1,RVKSYXOTSAPLLQ-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:4:213076:224835,CC(C)N(C(C)C)S(=O)(=O)c1ccc(-n2cc(-c3cc(C(F)(F)F)nn3S(=O)(=O)N(C)C)cn2)cc1,GSKQFVUJZWWXNT-UHFFFAOYSA-N
-rxn:4:213088:225975,CC(C)(C)OC(=O)N1CCN(c2cccc(-c3ccnc(N4CCOCC4)c3Cl)c2C#N)CC1,FPCWZSPMFRKLOT-UHFFFAOYSA-N
-rxn:4:213097:223062,CC(C)(C)OC(=O)N1CCC(C#N)(c2ccc(-c3cnc(C4CCNCC4)cc3F)cn2)CC1,ANYQSLQXYBFWNH-UHFFFAOYSA-N
-rxn:4:213100:223576,CC(C)(C)OC(=O)N1CCC(Oc2cccc(-c3cn(C4CCN(C(=O)OC(C)(C)C)CC4)nc3C(F)(F)F)c2)CC1,DVLDUPLDFMOBHM-UHFFFAOYSA-N
-rxn:4:213123:224406,O=C(Cc1ccccc1-c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)N1CCN(c2ccnc(C(F)(F)F)c2)C(=O)C1,VVNOTZXMSZWGCP-UHFFFAOYSA-N
-rxn:4:213132:225518,CCCCCOc1ncc(C)cc1-c1cnc(OCC2CCCN(C(=O)C(C)(C)C)C2)nc1,JDRJJWUCJYYBFR-UHFFFAOYSA-N
-rxn:4:213132:226236,CCCCOc1ncc(C)cc1-c1cnc(OCC2CCCN(C(=O)C(C)(C)C)C2)nc1,ZYKZCZPJYXXEOO-UHFFFAOYSA-N
-rxn:4:213134:222541,CCC(C)(C)C(=O)N1CCC(Oc2ncc(-c3ccc(C(=O)NCCN4CCCCC4)cc3)cn2)CC1,BSDVPXDOAOCJLM-UHFFFAOYSA-N
-rxn:4:213134:225875,CCC(C)(C)C(=O)N1CCC(Oc2ncc(-c3ccc(N4CCOCC4)cc3Cl)cn2)CC1,OQDMPNCBILDSMV-UHFFFAOYSA-N
-rxn:4:213134:226299,CCC(C)(C)C(=O)N1CCC(Oc2ncc(-c3ccc(OCC4CC4)cc3Cl)cn2)CC1,HLSVJWKCTDAWNW-UHFFFAOYSA-N
-rxn:4:213172:224771,Cc1ccc(-c2ccc(S(=O)(=O)N3CCC(CSc4nccn4C)CC3)cc2)cc1S(=O)(=O)N1CCCC1,JAURXTHEVIXQOM-UHFFFAOYSA-N
-rxn:4:213175:222772,Cc1cc(OCC2CCN(C(=O)c3cncc(-c4ccc(Cl)c(C(=O)NC5CCCC5)c4)c3)CC2)ccn1,UYEJGLNEZJGVRV-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:4:213203:223997,Cc1ccc(OCC2CCN(S(=O)(=O)c3ccc(-c4cc(C)c(S(=O)(=O)N5CCOCC5)c(C)c4)cc3)CC2)nn1,AQZKQPOCYUXWLB-UHFFFAOYSA-N
-rxn:4:213213:223506,CN(c1cccc(-c2cccc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)n1)C1CCN(C(=O)OC(C)(C)C)CC1,ODWDPOBJSSSXMR-UHFFFAOYSA-N
-rxn:4:213213:223575,CN(c1cccc(-c2ccccc2CN2CCN(C(=O)OC(C)(C)C)CC2)n1)C1CCN(C(=O)OC(C)(C)C)CC1,ICFRIFHBDPIWSZ-UHFFFAOYSA-N
-rxn:4:213213:225877,CN(c1cccc(-c2ccc(Cl)cc2N2CCOCC2)n1)C1CCN(C(=O)OC(C)(C)C)CC1,XCEGWXIHYPLZKS-UHFFFAOYSA-N
-rxn:4:213218:227313,CCC(C)c1cc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)[C@@H](C)C3)nc2)c(F)cn1,NSYPCRPGNOFGBW-ZVAWYAOSSA-N
-rxn:4:213228:224273,CC1CN(S(=O)(=O)c2cncc(-c3cc4ncccc4n3C(=O)OC(C)(C)C)c2)CCN1C(=O)OC(C)(C)C,JMYUXVQBPITKRA-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:4:213258:223687,Cc1nn(CC2CCCN(C(=O)OC(C)(C)C)C2)c(C)c1-c1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1,QCDYZAUDAIBQDS-UHFFFAOYSA-N
-rxn:4:213279:222854,COc1ccc(C2CCCNC2)cc1-c1ccc(C2=NN(S(=O)(=O)c3ccc(C)cc3)C(c3cccc([N+](=O)[O-])c3)C2)cc1,CXJNBZGMPDROSG-UHFFFAOYSA-N
-rxn:4:213289:224357,COc1nc2ccc(C(F)(F)F)cc2cc1-c1cnc(C(C)(C)C)nc1C1CCN(C(=O)OC(C)(C)C)CC1,SPGXDIPRUSSJRX-UHFFFAOYSA-N
-rxn:4:213290:223725,CCCCCc1ccc(-c2ccc(-c3cnc(OC4CCCN(C(=O)C5(c6ccccc6)CCOCC5)C4)nc3)c(F)c2)cc1,PRKILRKDORUABT-UHFFFAOYSA-N
-rxn:4:213320:224368,COC(=O)c1nc(-c2cnc(Cl)c(N(C)C(=O)OC(C)(C)C)c2)n2c1CN(C(=O)OC(C)(C)C)CC2,CHNCJPGLMQLMBV-UHFFFAOYSA-N
-rxn:4:213327:223527,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)ccc2-c2ccc(-c3nc4sccn4c3C=NOCc3c(F)cccc3Cl)cc2)CC1,SKMHIBFVCDIEAL-UHFFFAOYSA-N
-rxn:4:213330:222584,COc1ccc(CCC(=O)N2CCc3ncncc3C2)cc1-c1ccc(OCCCN2CCNCC2)c(F)c1,WPZBAPHVOKHWKJ-UHFFFAOYSA-N
-rxn:4:213337:222634,CCCCC(=O)N1CCN(c2nc3ccc(-c4ccc(OCCNC5CCCC5)c(F)c4)cc3s2)CC1,OKOQWGNHDPNOOY-UHFFFAOYSA-N
-rxn:4:213355:225824,CC(C)CS(=O)(=O)C1CN(C(=O)c2c3ccc(-c4cc(C5CC5)cc(C(F)(F)F)c4)cc3nn2C)C1,ZOHKPXRQCWEPDQ-UHFFFAOYSA-N
-rxn:4:213378:223901,CC1CCN(CCOc2ccc(-c3cnc(OC4CCCN(C(=O)Cc5cccc6ccccc56)C4)nc3)cc2Cl)CC1,VEYAWVLMHHWPOI-UHFFFAOYSA-N
-rxn:4:213380:222546,O=C(CSc1nc2c(c(=O)n1-c1ccc(-c3ccc(OCCNC4CCCCC4)c(F)c3)cc1)SCC2)N1CCCCC1,IWAIQVDGFVOVHU-UHFFFAOYSA-N
-rxn:4:213395:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc2ccn(CC(=O)N3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)c2c1,ITOGPLJFHICXRL-UHFFFAOYSA-N
-rxn:4:213412:225822,CC(C)CS(=O)(=O)C1CCN(C(=O)c2c3ccc(-c4cccc(C(F)(F)F)c4C4CC4)cc3nn2C)CC1,PITDMSCDKOLZPO-UHFFFAOYSA-N
-rxn:4:213412:227758,CC(C)CS(=O)(=O)C1CCN(C(=O)c2c3ccc(-c4cc(F)ccc4C(F)(F)F)cc3nn2C)CC1,TZQWKZSCOTVKHW-UHFFFAOYSA-N
-rxn:4:213428:222931,CC(C)(C)OC(=O)N1CCC[C@H]1c1ncc(-c2ccc3cc(-c4cnc(Cl)c(N5CCCCC5O)c4)ccc3c2)[nH]1,NRPKEUQCOGOAMN-QODXOHEASA-N
-rxn:4:213602:223523,CCN1CCN(S(=O)(=O)c2ccc(-c3cnc(OCCN4CCCCC4)nc3)c3ccccc23)CC1,UFDJHTKXSQMWRB-UHFFFAOYSA-N
-rxn:4:213642:223683,CC(C)(C)OC(=O)c1cn(-c2ccc(Cl)cc2-c2cnc(OC3CCN(C(=O)OC(C)(C)C)C3)nc2)nn1,MVXPYPBTGYFRED-UHFFFAOYSA-N
-rxn:4:213660:224371,CCOC(=O)N1CCN(c2ccc(-c3cnc(N4CCC(C(=O)OC)CC4)nc3)cn2)CC1,WCERFUXXEMAVFM-UHFFFAOYSA-N
-rxn:4:213664:224599,CCC(=O)N1CCC(Oc2ncc(-c3cc(C(=O)C4CCCCC4)ccc3F)cn2)CC1,NDFDSEASBRYDGC-UHFFFAOYSA-N
-rxn:4:213672:225898,CCOC(=O)N1CCN(c2ncc(Cl)cc2-c2cnn(CCN3CCOCC3)c2)CC1,XSYZUMXSFKEAJE-UHFFFAOYSA-N
-rxn:4:213720:223562,CC(C)(C)OC(=O)N1CCC(Cc2ccc(-c3ccnn3C3CCN(C(=O)OC(C)(C)C)C3)cc2)CC1,VYJYKPBLJPVVQD-UHFFFAOYSA-N
-rxn:4:213755:223776,CC(C)(C)OC(=O)N1CCN(c2nc(-c3ccc4c(c3)CN(C(=O)OC(C)(C)C)CCO4)cs2)CC1,ACYVDGWASSQDTD-UHFFFAOYSA-N
-rxn:4:213756:222546,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3ccc(OCCNC4CCCCC4)c(F)c3)s2)CC1,LAJBXLCBVOHUCP-UHFFFAOYSA-N
-rxn:4:213798:222684,CC(C)(C)OC(=O)N1CCOC(c2cnc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)cn2)C1,FBUCWVYOVCQSCO-UHFFFAOYSA-N
-rxn:4:213799:225976,CC(C)(C)OC(=O)N1CCOC(c2cc(-c3ccnc(N4CCOCC4)c3F)ncn2)C1,BPMBLKYSVJEJOZ-UHFFFAOYSA-N
-rxn:4:213800:222584,CC(C)(C)OC(=O)N1CCOCC1c1cc(-c2ccc(OCCCN3CCNCC3)c(F)c2)ncn1,LJSAFOWVLASYRS-UHFFFAOYSA-N
-rxn:4:213800:224759,CC(C)(C)OC(=O)N1CCOCC1c1cc(-c2cc(F)cc(C(=O)N3CCOCC3)c2)ncn1,ACZGJJGGOOTELW-UHFFFAOYSA-N
-rxn:4:213801:224718,CC(C)(C)OC(=O)N1CCOC(c2cncc(-c3ccc(OCCN4CCOCC4)nc3)n2)C1,GMYNCIZRENOGLR-UHFFFAOYSA-N
-rxn:4:213805:222791,CC(C)(C)OC(=O)Nc1ccc(Cl)c(-c2cnc(C3CN(C(=O)OC(C)(C)C)CCO3)nc2)c1,AWAHUQXIILOMDE-UHFFFAOYSA-N
-rxn:4:213805:224720,CC(C)(C)OC(=O)N1CCOC(c2ncc(-c3cn(C(=O)OC(C)(C)C)nc3C3CC3)cn2)C1,GGKBORUZDKJKDX-UHFFFAOYSA-N
-rxn:4:213813:222546,Cc1ccccc1C(=O)N1CCC(Oc2ncc(-c3ccc(OCCNC4CCCCC4)c(F)c3)cn2)C1,YKDWHVPEAYGXJW-UHFFFAOYSA-N
-rxn:4:213820:222584,O=C(c1cncc(-c2ccc(OCCCN3CCNCC3)c(F)c2)c1)N1CCC(Oc2ncccc2Cl)CC1,DSJFWECSPJYJBG-UHFFFAOYSA-N
-rxn:4:213839:222546,CC(C)(C)OC(=O)N1CCC(n2ccnc2-c2ccc(OCCNC3CCCCC3)c(F)c2)CC1,NMCMBWDVMCPMCS-UHFFFAOYSA-N
-rxn:4:213844:225975,CC(C)(C)OC(=O)N1CCN(c2cccc(-c3ccnc(N4CCOCC4)c3Cl)n2)C(=O)C1,MUPSONPKTXZQEY-UHFFFAOYSA-N
-rxn:4:213868:224393,O=S(=O)(c1cccc(Cl)c1)N1CCCC(Oc2ncc(-c3cc(C(F)(F)F)ccc3N3CCOCC3)cn2)C1,LCIBZLORPVLODJ-UHFFFAOYSA-N
-rxn:4:213874:223992,Cc1ccc(-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1S(=O)(=O)N1CCN(C)CC1,UKDSQTMTTCMVOH-UHFFFAOYSA-N
-rxn:4:213875:224162,CC(C)(C)OC(=O)N1CCN(c2cccc(-c3ccc4c(c3)N(C(=O)OC(C)(C)C)CC4)n2)CC1,GZEVWKQHXAVAOD-UHFFFAOYSA-N
-rxn:4:213884:225806,CC(C)(C)OC(=O)N1CCC(c2ccnc(-c3cnc(OC4CCCC4)cc3F)n2)CC1,ZBGUYMDLGCILRM-UHFFFAOYSA-N
-rxn:4:213888:224356,CC(C)(C)OC(=O)N1CCCC(c2cncc(-c3cc4sc(Cl)cc4n3C(=O)OC(C)(C)C)n2)C1,IXXMMCAYFIKRON-UHFFFAOYSA-N
-rxn:4:213889:222622,CCC(C)c1cc(-c2cc(C3CCCN(C(=O)OC(C)(C)C)C3)ncn2)cc(C2CCCNC2)n1,ZLRKJYUPXRPARL-UHFFFAOYSA-N
-rxn:4:213889:222701,CC(C)(C)OC(=O)N1CCCC(c2cc(-c3cc(C4CCCNC4)cc(C(F)(F)F)c3)ncn2)C1,DXIWBRIGIZUCJD-UHFFFAOYSA-N
-rxn:4:213898:225898,CC(C)(C)C(=O)N1CCC(Oc2ncc(-c3cnn(CCN4CCOCC4)c3)cn2)CC1,STYNIQNVMNGAAW-UHFFFAOYSA-N
-rxn:4:213901:223065,CC(C)(C)OC(=O)N1CCN(c2nc(Cl)ccc2-c2ccc(N3CCNCC3)cc2F)CC1,ZXROKHTXFCMSMF-UHFFFAOYSA-N
-rxn:4:213901:224718,CC(C)(C)OC(=O)N1CCN(c2nc(Cl)ccc2-c2ccc(OCCN3CCOCC3)nc2)CC1,JWPDOLWBQMYDGM-UHFFFAOYSA-N
-rxn:4:213932:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cnc(N4CCOC(C(=O)N5CCCC5)C4)c(C(F)(F)F)c3)ccn2)CC1,ACHRDMLAFXHSHH-UHFFFAOYSA-N
-rxn:4:213961:223671,Cc1cnccc1OCC1CCN(c2ccc(-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)cn2)CC1,IWFCYOIQPQUMGE-UHFFFAOYSA-N
-rxn:4:213973:225294,CCN1CCN(c2ncc(-c3cc(C(F)(F)F)cnc3N3CCOC(C(=O)N4CCSCC4)C3)cn2)CC1,VSFQWQPUPVOMDW-UHFFFAOYSA-N
-rxn:4:213980:223106,CC1CN(C(=O)OC(C)(C)C)CCC1c1nccc(-c2cnc(N3CCC(O)C3)nc2Cl)n1,INGRMBROSPBAKZ-UHFFFAOYSA-N
-rxn:4:213980:226773,COC(=O)c1c(Cl)ccc(-c2ccnc(C3CCN(C(=O)OC(C)(C)C)CC3C)n2)c1F,SYAQGXOPODZVIO-UHFFFAOYSA-N
-rxn:4:213982:223593,CC1CN(C(=O)OC(C)(C)C)CCC1c1cc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c(Cl)c2)ncn1,XGOUVTYJRLOZPR-UHFFFAOYSA-N
-rxn:4:213985:223562,Cc1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)c(-c2ccc(CC3CCN(C(=O)OC(C)(C)C)CC3)cc2)c1,HGFXJGDNJBVAGC-UHFFFAOYSA-N
-rxn:4:213990:225876,Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1-c1cc(Cl)ccc1N1CCOCC1,OOAGQKBBWQBMSY-UHFFFAOYSA-N
-rxn:4:214011:222719,Cc1nn(S(=O)(=O)c2ccc(-c3cc(C4CCCNC4)nc(C(F)(F)F)c3)cc2)c(C)c1S(=O)(=O)N1CCCC1,UHBFDNVEAKKDHN-UHFFFAOYSA-N
-rxn:4:214018:224586,CC(=O)N1N=C(c2ccc(-c3cc(F)ccc3CN3CCC(C)CC3)cc2)CC1c1ccc(N(C)C)cc1,TWBQKXPNPADXRX-UHFFFAOYSA-N
-rxn:4:214018:224589,CC(=O)N1N=C(c2ccc(-c3ccc(F)cc3CN3CCC(C)CC3)cc2)CC1c1ccc(N(C)C)cc1,DQEOFQHHXYTLME-UHFFFAOYSA-N
-rxn:4:214021:222741,Cc1cc(C)nc(OC2CCCN(C(=O)c3ccccc3-c3cc(C4CC4)nc(C4CCCNC4)c3)C2)n1,VTULHLJMDLKDMS-UHFFFAOYSA-N
-rxn:4:214074:225312,Cc1nn(S(=O)(=O)c2ccc(-c3cnc(N4CCCN(C)CC4)nc3)cc2)c(C)c1S(=O)(=O)N1CCCC(C)C1,GRLFAFQAZQGMTA-UHFFFAOYSA-N
-rxn:4:214083:222621,Cc1ccc(S(=O)(=O)N2CCC(c3nc(-c4ccccc4-c4cc(CC(C)C)nc(C5CCCNC5)c4)no3)CC2)cc1C,NIGCQXWMASSYAO-UHFFFAOYSA-N
-rxn:4:214184:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3ccc4ncn(CCCN5CCOCC5)c(=O)c4c3)c2Cl)CC1,IMGHIHLPIJCGQJ-UHFFFAOYSA-N
-rxn:4:214223:223888,CC(C)(C)OC(=O)N1CCCc2ccc(-c3ccc(C(=O)N4CCC(Cn5cnc6ccccc65)CC4)o3)cc21,CPNHAXVEFPUTDM-UHFFFAOYSA-N
-rxn:4:214273:224290,CC(C)(C)OC(=O)N1CCC(n2cnc3ccc(-c4ccc(Cl)cc4OCCN4CCOCC4)cc32)CC1,XREZGAWAQZVOAM-UHFFFAOYSA-N
-rxn:4:214308:222621,CC(C)Cc1cc(-c2ccc3c(c2)sc(=NC(=O)c2ccc(S(=O)(=O)N4CCCC4)cc2)n3C)cc(C2CCCNC2)n1,CLKLCGMLHMDWGH-UHFFFAOYSA-N
-rxn:4:214308:224420,Cc1cc2c(cc1-c1ccc3c(c1)sc(=NC(=O)c1ccc(S(=O)(=O)N4CCCC4)cc1)n3C)C(C)(C)CCC2(C)C,QXCWLMBJGTYELO-UHFFFAOYSA-N
-rxn:4:214326:223659,CC(C)(C)OC(=O)N1CCC(Cn2cc(-c3cccc(CN4CCC(Cn5cnc6ccccc6c5=O)CC4)c3)cn2)CC1,XQHROABGNOTQBT-UHFFFAOYSA-N
-rxn:4:214342:224391,Cc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(-c4ccc(S(=O)(=O)N5CCOCC5)cc4C)cc3)CC2)c2ccccc2n1,WBMDJUNYFPTEKO-UHFFFAOYSA-N
-rxn:4:214697:224022,c1cc(C23CC4CC(CC(C4)C2)C3)ccc1-c1cnn(C2CCN(CC3CC3)CC2)c1,ZDOOIUFJPPWDPZ-UHFFFAOYSA-N
-rxn:4:214709:224125,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc(CN4CCN(C5CC5)CC4)cc3)cn2)CC1,HXMXJOYIRVCWCL-UHFFFAOYSA-N
-rxn:4:214709:224582,CCN1CCN(S(=O)(=O)c2ccc(-c3cccc(N4CCN(C5CC5)CC4)c3)cn2)CC1,VVSINTGNCHHFEN-UHFFFAOYSA-N
-rxn:4:214753:224672,CCN1CCN(c2ccc(-c3cnc(C(=O)N4CCN(C(C)C)CC4)c(Cl)c3)c(Cl)c2)CC1,FSTKZKWLCFASNZ-UHFFFAOYSA-N
-rxn:4:214765:224187,CN(C)C1CCN(c2cccc(-c3ccc(OCCN4CCCCC4)cc3F)c2[N+](=O)[O-])CC1,JTAWZCXSVCPFGG-UHFFFAOYSA-N
-rxn:4:214773:223992,Cc1ccc(-c2cncc(S(=O)(=O)N3CCN(C(C)C)CC3)c2)cc1S(=O)(=O)N1CCN(C)CC1,UTWRSCCJJXXOAL-UHFFFAOYSA-N
-rxn:4:214805:224752,Cc1cc(S(=O)(=O)N2CCCC2)ccc1-c1ccc(N2CCCN(S(=O)(=O)C3CC3)CC2)nc1,JEOJTPMPISDHOC-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:4:214818:223115,CC(=O)NCCc1ccc(-c2cnc(N3CCN(C(=O)C4CCCO4)CC3)c(Cl)c2)cc1,KVRPOCPEBKXGCF-UHFFFAOYSA-N
-rxn:4:214819:226231,CCCCOc1ncc(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCCC3)C2)cc1C,NMJCXSPGZILNLY-UHFFFAOYSA-N
-rxn:4:214819:226255,CCCCOc1ccc(Cl)cc1-c1cc(Cl)cnc1N1CCOC(C(=O)N2CCCC2)C1,NPJPHUDBYHPJKH-UHFFFAOYSA-N
-rxn:4:214830:222634,O=C(C1CN(c2ccc(-c3ccc(OCCNC4CCCC4)c(F)c3)cn2)CCO1)N1CCSCC1,DAUCTHAZCMGLAD-UHFFFAOYSA-N
-rxn:4:214835:222902,COC(=O)CNC(=O)c1cccc(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCOCC3)C2)c1,QLNGKMWUKFJHDD-UHFFFAOYSA-N
-rxn:4:214835:223670,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCOCC3)C2)CC1,HPQRXEUEOKLGDN-UHFFFAOYSA-N
-rxn:4:214835:223689,CCN1CCN(S(=O)(=O)c2cc(-c3cc(Cl)cnc3N3CCOC(C(=O)N4CCOCC4)C3)ccc2OC)CC1,BEKIHEFFILSSNK-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:4:214835:226249,CCCCOc1cc(Cl)cc(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCOCC3)C2)c1,CAIFREPDCVHSSG-UHFFFAOYSA-N
-rxn:4:214837:227249,CCCOc1ccc(Cl)c(-c2cnc(N3CCOC(C(=O)N4CCSCC4)C3)c(Cl)c2)c1,PNAMMUXWSXCDEG-UHFFFAOYSA-N
-rxn:4:214838:223241,O=C(C1CN(c2ncc(-c3cncc(C4CCNC4)c3)cc2F)CCO1)N1CCOCC1,DAGKHCQUOYQIHJ-UHFFFAOYSA-N
-rxn:4:214838:226981,CCCCCCc1ccsc1-c1cnc(N2CCOC(C(=O)N3CCOCC3)C2)c(F)c1,ZNJZTDLBXOMMNM-UHFFFAOYSA-N
-rxn:4:214839:222423,COc1c(-c2cnc(N3CCOC(C(=O)N4CCSCC4)C3)c(F)c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,VVFSMEUOIFMSAS-UHFFFAOYSA-N
-rxn:4:214851:225731,CCOC(=O)c1ccc(-c2cncc(C(=O)N3CCCN(C4CCC4)CC3)c2)c(OC)c1,CXMLCLXSQBSWTA-UHFFFAOYSA-N
-rxn:4:214852:224392,Cc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1cncc(C(=O)N2CCC(N3CCCC3)CC2)c1,LBTGJIMEGLIJNT-UHFFFAOYSA-N
-rxn:4:214865:224196,CCN1CCN(Cc2cc(F)cc(-c3cccnc3N3CCCC(C(=O)N4CCOCC4)C3)c2)CC1,MYOQLEYPGGPYDO-UHFFFAOYSA-N
-rxn:4:214868:223025,CCCNC(=O)c1cc(-c2cccnc2N2CCOC(C(=O)N3CCCCC3)C2)ccc1Cl,NXMCFZGMIFFPGI-UHFFFAOYSA-N
-rxn:4:214868:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cccnc3N3CCOC(C(=O)N4CCCCC4)C3)c(F)c2)CC1,LDRDKYSNFKTAJT-BIBMFLLGSA-N
-rxn:4:214868:226249,CCCCOc1cc(Cl)cc(-c2cccnc2N2CCOC(C(=O)N3CCCCC3)C2)c1,ZAVACDUIUJOOOT-UHFFFAOYSA-N
-rxn:4:214870:224752,Cc1cc(S(=O)(=O)N2CCCC2)ccc1-c1cc(Cl)cnc1N1CCCC(C(=O)N2CCOCC2)C1,KLRZCRWQCXLCIZ-UHFFFAOYSA-N
-rxn:4:214871:223650,CC(C)(C)OC(=O)N1CCN(c2ccccc2-c2cnc(N3CCCC(C(=O)N4CCOCC4)C3)c(Cl)c2)CC1,FXBVFYOYYJLMJI-UHFFFAOYSA-N
-rxn:4:214873:226088,CCN(CC)Cc1ccc(-c2cnc(N3CCCC(C(=O)N4CCOCC4)C3)c(F)c2)cc1,XEBACHZTYXGCPR-UHFFFAOYSA-N
-rxn:4:214875:222546,O=C(C1CCCN(c2ncc(-c3ccc(OCCNC4CCCCC4)c(F)c3)cc2F)C1)N1CCSCC1,YUWBPPAKAJNRAV-UHFFFAOYSA-N
-rxn:4:214875:226088,CCN(CC)Cc1ccc(-c2cnc(N3CCCC(C(=O)N4CCSCC4)C3)c(F)c2)cc1,AFWBEAMQGUZTGP-UHFFFAOYSA-N
-rxn:4:214875:226259,CCCCOc1ccc(-c2cnc(N3CCCC(C(=O)N4CCSCC4)C3)c(F)c2)cc1Cl,PBBVNNLFAALXCA-UHFFFAOYSA-N
-rxn:4:214880:225313,Cc1cc(-c2ccc(N3CCN(C)CC3)nc2F)cnc1N1CCOC(C(=O)N2CCOCC2)C1,AMJCHAUGHPOGRV-UHFFFAOYSA-N
-rxn:4:214880:227218,Cc1cc(-c2ccccc2OCCCF)cnc1N1CCOC(C(=O)N2CCOCC2)C1,PLGGXILKUYJOBM-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:4:215016:223592,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc4c(c3)ncn4C(=O)OC(C)(C)C)c(Cl)c2)CC1,QDPQWEWCGZETFO-UHFFFAOYSA-N
-rxn:4:215059:223562,CC(C)(C)OC(=O)N1CCC(Cc2ccc(-c3cnn4c3CN(C(=O)OC(C)(C)C)CC4)cc2)CC1,PKOGRCOUEXQEJB-UHFFFAOYSA-N
-rxn:4:215060:224740,CN(C(C)(C)C)S(=O)(=O)c1cccc(-c2ncn3c2CN(C(=O)OC(C)(C)C)CC3)c1,HETOOLQTHTUXBO-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:4:215097:222637,CC(NC(=O)OC(C)(C)C)c1ccc(-c2ncc3n2C(C)CN(C(=O)OC(C)(C)C)C3)cc1,YLHMBTLXXGLYRH-UHFFFAOYSA-N
-rxn:4:215127:224672,CCN1CCN(c2ccc(-c3ccc4nc(N5CCN(C(=O)C6CC6)CC5)sc4c3)c(Cl)c2)CC1,MIZDBUHOMZVLBG-UHFFFAOYSA-N
-rxn:4:215219:225313,CN1CCN(c2ccc(-c3ccc4ccc(N5CCOC(C(=O)N6CCOCC6)C5)nc4c3)c(F)n2)CC1,HFSJJXIUOMXXJT-UHFFFAOYSA-N
-rxn:4:215295:223579,CC1CN(C(=O)OC(C)(C)C)CCN1c1ccc(-c2cnc3n2CCc2ccccc2C32CCN(C(=O)OC(C)(C)C)CC2)cc1,ULMRHWKFDTWMCD-UHFFFAOYSA-N
-rxn:4:215677:223528,Cn1nc(C(F)(F)F)cc1-c1cncc(-c2ccc(F)c(CN3CCN(C(=O)OC(C)(C)C)CC3)c2)c1,IAKZNULODMFWOY-UHFFFAOYSA-N
-rxn:4:215766:222584,Cn1ncc(C(=O)N2CCOCC2)c1-c1ccc(OCCCN2CCNCC2)c(F)c1,MCDVIAHCYXTTCB-UHFFFAOYSA-N
-rxn:4:215782:223838,CCN1CCN(c2nc(-c3ccc(N4CCN(S(=O)(=O)N(C)C)CC4)cc3)cs2)CC1,LCIWASCCQMUFMA-UHFFFAOYSA-N
-rxn:4:215824:223838,COC1CCN(c2ncc(-c3ccc(N4CCN(S(=O)(=O)N(C)C)CC4)cc3)cn2)CC1,BOXMIPTZLYYFEN-UHFFFAOYSA-N
-rxn:4:215840:223830,CCN1CCN(S(=O)(=O)c2cc(-c3cnn(C)c3CN3CCCCC3)ccc2C)CC1,ZUGRKOLZRLPMEM-UHFFFAOYSA-N
-rxn:4:215921:222707,CC1CCCCN1C(=O)c1c(-c2ccnc(CNC(=O)OC(C)(C)C)c2F)cnn1C,ZEOBOFIYAAJRSU-UHFFFAOYSA-N
-rxn:4:215943:223970,Cc1ccc(-c2ccnc(N3CCC(N(C)C)CC3)c2)cc1S(=O)(=O)N1CCC(C)CC1,DLONSHJCHWHUGZ-UHFFFAOYSA-N
-rxn:4:215944:223838,CN(C)C1CCN(c2cccc(-c3ccc(N4CCN(S(=O)(=O)N(C)C)CC4)cc3)n2)CC1,AAERPTGGJYJJHJ-UHFFFAOYSA-N
-rxn:4:215950:223951,CCN1CCN(c2ncc(C)cc2-c2ccc(OCCN3CCN(C)CC3)c(F)c2)CC1,FKXLFABYDADAOL-UHFFFAOYSA-N
-rxn:4:215953:223993,Cc1cc(-c2ccc(N3CCC(N(C)C)CC3)nc2)ccc1S(=O)(=O)N1CCN(C)CC1,WXMNDVRFBOKKIP-UHFFFAOYSA-N
-rxn:4:215954:223953,CCN1CCN(c2ccc(-c3cc(F)cc(N4CCN(CCOC)CC4)c3)c(C)n2)CC1,UNRGTCCYICNNHE-UHFFFAOYSA-N
-rxn:4:215955:223992,Cc1ccc(-c2cnccc2N2CCC(N(C)C)CC2)cc1S(=O)(=O)N1CCN(C)CC1,RESJTJNKJDBUEA-UHFFFAOYSA-N
-rxn:4:215983:224286,Cc1cc(N2CCN(C(C)C)CC2)ncc1-c1ccc(OCCN2CCOCC2)c(Cl)c1,MIPSSLOZMWVQJR-UHFFFAOYSA-N
-rxn:4:216317:223559,CCn1nc(C)c(N2C(=O)c3cccc4c(-c5ccc6c(c5)C(C)=CC(C)(C)N6C(=O)OC(C)(C)C)ccc(c34)C2=O)c1C,LWEADUZZSBQBPV-UHFFFAOYSA-N
-rxn:4:217113:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3cnc(N4CCN(C)CC4)s3)c2)CC1,RYIRIOCBZAZVTL-UHFFFAOYSA-N
-rxn:4:217213:223830,CCN1CCN(S(=O)(=O)c2cc(-c3cnc(N4CCN(C)CC4)cc3C)ccc2C)CC1,IKBWGCPAMSKWGJ-UHFFFAOYSA-N
-rxn:4:217792:223670,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2csc3c(N4CCOCC4)nc(Cl)nc23)CC1,DSLLMDADKYXLCS-UHFFFAOYSA-N
-rxn:4:218567:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3cnc(N(C)CC4CN(C(=O)OC(C)(C)C)C4)cn3)cc21,ZYPGJHJCDVGROC-UHFFFAOYSA-N
-rxn:4:218615:223507,CN(CC1CCN(C(=O)OC(C)(C)C)C1)c1cnc(-c2ccccc2S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cn1,YHGCJIRIVPINIG-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:4:218631:224829,COC(=O)c1ccc(-c2cnc(OCC3CCN(C4CCN(CC(F)(F)F)C4=O)CC3)nc2)cc1OC(F)(F)F,LDJOCVIPTICOGI-UHFFFAOYSA-N
-rxn:4:218631:226231,CCCCOc1ncc(-c2cnc(OCC3CCN(C4CCN(CC(F)(F)F)C4=O)CC3)nc2)cc1C,RYQQYFAELOOFNU-UHFFFAOYSA-N
-rxn:4:218655:223591,COc1cc(=O)n(C)cc1C(=O)N1CCC(COc2ncc(-c3cc(N4CCN(C(=O)OC(C)(C)C)CC4)ccc3F)cn2)CC1,QODLWDPCMRMPEM-UHFFFAOYSA-N
-rxn:4:218705:225975,CC(Oc1ccc(Cl)cc1)C(=O)N1CCCN(c2cc(-c3ccc(-c4ccnc(N5CCOCC5)c4Cl)cc3)n[nH]2)CC1,REUGXZLSQFLLKQ-UHFFFAOYSA-N
-rxn:4:218711:224290,CC(C)(C)OC(=O)N1CCN(C2CCN(c3ccc([N+](=O)[O-])cc3-c3ccc(Cl)cc3OCCN3CCOCC3)CC2)CC1,FGTAIFGRDGYBAX-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:4:218887:224196,CCN1CCN(Cc2cc(F)cc(-c3cnc(OCC4CCN(C(=O)c5cnoc5C)CC4)nc3)c2)CC1,STRSWFKPNNUATM-UHFFFAOYSA-N
-rxn:4:218920:222546,COc1cnc(OC2CCN(C(=O)c3cncc(-c4ccc(OCCNC5CCCCC5)c(F)c4)c3)CC2)nc1,XLYVFMGAGIKTAM-UHFFFAOYSA-N
-rxn:4:218972:223892,Cc1nc(C)c(C(=O)N2CCCC(COc3ncc(-c4ccc(OCCCN5CCN(C)CC5)cc4)cn3)C2)s1,LJEZITPGHCNJMR-UHFFFAOYSA-N
-rxn:4:218998:223812,O=C(N1CCOCC1)N1CCCC(COc2ncc(-c3cc(F)cc(CN4CCC5(CC4)OCCO5)c3)cn2)C1,AETLGYUEXWOTRV-UHFFFAOYSA-N
-rxn:4:218999:223491,C[C@H]1CN(C(=O)OC(C)(C)C)CCN1c1ncc(-c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)cc(C(F)(F)F)c2)cc1C#N,SKBNYZPYXMAZDV-NRFANRHFSA-N
-rxn:4:218999:224273,C[C@H]1CN(C(=O)OC(C)(C)C)CCN1c1ncc(-c2cc3ncccc3n2C(=O)OC(C)(C)C)cc1C#N,JSIYWBGVWLBCQU-SFHVURJKSA-N
-rxn:4:219028:223505,CC1CN(C(=O)c2cnn(C)c2-c2ccc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cc2)CCN1C(=O)OC(C)(C)C,STBLSHKGLDNZQH-UHFFFAOYSA-N
-rxn:4:219028:225286,CC1CN(C(=O)c2cnn(C)c2-c2cc(F)ncc2C(=O)OC(C)(C)C)CCN1C(=O)OC(C)(C)C,ZTIDIXMATALEQO-UHFFFAOYSA-N
-rxn:4:219046:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2cnc(OCC3CCCN(C4CCN(C5CC5)C4=O)C3)nc2)CC1,QMEVCTVXQONNOI-UHFFFAOYSA-N
-rxn:4:219062:222408,CNC(=O)Nc1ccc(-c2cccnc2OC2CCN(S(=O)(=O)c3c(C)nn(C(C)C)c3C)C2)cc1C,XNJWCIIASIVVQO-UHFFFAOYSA-N
-rxn:4:219079:223831,COc1ccc(-c2ccc(-c3cc(N4CCCN(C(=O)Cc5cccc(C)c5)CC4)[nH]n3)cc2)cc1S(=O)(=O)N1CCC(C)CC1,WDAZLFWBACUQSN-UHFFFAOYSA-N
-rxn:4:219119:226502,CC(=O)C(C)n1c(-c2ccn(C(=O)OC(C)(C)C)c2)nc2c1c(=O)n(CCC(C)C)c(=O)n2C,VXGMUZDYQAUKFT-UHFFFAOYSA-N
-rxn:4:219129:223670,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2cnc(OCC3CCCN(Cc4nc5c(s4)CCC5)C3)nc2)CC1,IQKUPBKRNHFFQS-UHFFFAOYSA-N
-rxn:4:219155:222694,Cc1cnc(OCC23CCCC2CN(C(=O)c2cncc(-c4cccc(S(=O)(=O)NC5CCCCC5)c4)c2)C3)nc1,JUBUXGGKSDSFTF-UHFFFAOYSA-N
-rxn:4:219155:223598,Cc1cnc(OCC23CCCC2CN(C(=O)c2cncc(-c4ccc(OCCN5CCC6(CC5)OCCO6)c(F)c4)c2)C3)nc1,YZDSZUJASAFGNU-UHFFFAOYSA-N
-rxn:4:219155:224306,Cc1cnc(OCC23CCCC2CN(C(=O)c2cncc(-c4ccc(C(F)(F)F)cc4OC4CCCC4)c2)C3)nc1,OSYWPHQODWSQOB-UHFFFAOYSA-N
-rxn:4:219155:224826,CCOC(=O)c1cc(-c2cncc(C(=O)N3CC4CCCC4(COc4ncc(C)cn4)C3)c2)cnc1C(F)(F)F,QJUAKYCJTRBSFZ-UHFFFAOYSA-N
-rxn:4:219155:225272,CCOC(=O)C(F)(F)c1ccc(-c2cncc(C(=O)N3CC4CCCC4(COc4ncc(C)cn4)C3)c2)cc1,LDWHMVJZGFFVMR-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:4:219203:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc4c(c3)C(c3ccccn3)=N[C@@H](CCC(=O)OC)c3ncc(C)n3-4)c(F)c2)CC1,OGXAPQIRVFPHDG-SBCJZHDBSA-N
-rxn:4:219353:225829,CC1CCN(c2ncc(-c3cnc(OC4CCN(S(=O)(=O)N(C)C)CC4)nc3)cn2)CC1,MKFUAYXWTPOWQY-UHFFFAOYSA-N
-rxn:4:219371:223577,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3nncn3C3CCN(C(=O)OC(C)(C)C)CC3)cc2)CC1,GIEBUGRELHZRGK-UHFFFAOYSA-N
-rxn:4:219384:222546,Fc1cc(-c2cnc(N3CCC(COc4ccncc4Cl)CC3)nc2)ccc1OCCNC1CCCCC1,AMQLUKPFAMHGEQ-UHFFFAOYSA-N
-rxn:4:219404:223649,CC(C)(C)OC(=O)N1CCN(c2cccc(-c3cncc(N4CCN(C(=O)OC(C)(C)C)CC4)n3)c2)CC1,RBZXDMPVUMBSHX-UHFFFAOYSA-N
-rxn:4:219404:225177,CC(C)(C)OC(=O)N1CCN(c2cncc(-c3ccc(CN4CCSCC4)c(F)c3)n2)CC1,CEVGWDGYTKAVML-UHFFFAOYSA-N
-rxn:4:219407:223940,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3ccc4c(c3)OCCN4C(=O)OC(C)(C)C)cn2)CC1,SUESZYHSYBZZLS-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:4:219419:224817,Cc1nc(N2CCN(C(=O)c3ccc(-c4ccccc4S(=O)(=O)N4CCOCC4)o3)CC2)cc(C(F)(F)F)n1,ACFKZVBYKHNTEX-UHFFFAOYSA-N
-rxn:4:219456:223880,Cc1ccc2c(c1)cc(-c1cnn(C3CCN(C(=O)OC(C)(C)C)CC3C)n1)n2C(=O)OC(C)(C)C,XNWWQKXYRUNQPM-UHFFFAOYSA-N
-rxn:4:219457:223929,CC1CN(C(=O)OC(C)(C)C)CCC1n1cc(-c2cnc3c(c2)CCN(C(=O)OC(C)(C)C)C3)nn1,IJIPYEVWDLBJEZ-UHFFFAOYSA-N
-rxn:4:219469:226661,CSc1ncc(-c2cc(N3CCN(C)CC3)cs2)c(N2CCCN(S(=O)(=O)C3CC3)CC2)n1,YFUMUKQQLWEJDJ-UHFFFAOYSA-N
-rxn:4:219469:226662,CSc1ncc(-c2ccc(N3CCN(C)CC3)s2)c(N2CCCN(S(=O)(=O)C3CC3)CC2)n1,MSASAKGMWXVBGB-UHFFFAOYSA-N
-rxn:4:219488:222634,C[C@H]1CN(C(=O)OC(C)(C)C)CCN1c1ncc(-c2ccc(OCCNC3CCCC3)c(F)c2)cn1,AEVORMRLFWNUAO-IBGZPJMESA-N
-rxn:4:219491:222584,CC(C)c1c(C(=O)N2CCOCC2)nnn1-c1ccc(-c2ccc(OCCCN3CCNCC3)c(F)c2)cc1,ADDFVFJSMCORBM-UHFFFAOYSA-N
-rxn:4:219530:225093,CCCOc1c(Cl)cc(-c2cnc(OC3CCN(C4CCN(C5CC5)C4=O)CC3)nc2)cc1OCC,YRXXKNDNGLPBRI-UHFFFAOYSA-N
-rxn:4:219531:223602,CSc1ncc(-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2Cl)c(N2CCOC(C(=O)N3CCCCC3)C2)n1,RCKGAQYKLDTTKO-UHFFFAOYSA-N
-rxn:4:219535:222855,COc1cc(-c2ccccc2C(=O)N2CCCN(S(=O)(=O)c3cnn(C)c3)CC2)cc(C2CCCNC2)c1,NYIXZWLKUYVIME-UHFFFAOYSA-N
-rxn:4:219535:224391,Cc1cc(S(=O)(=O)N2CCOCC2)ccc1-c1ccccc1C(=O)N1CCCN(S(=O)(=O)c2cnn(C)c2)CC1,DGBCZMJGNXTGIA-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:4:219653:225980,CC(C)(C)OC(=O)N1CCN(c2nc3ccc(-c4cc(N5CCOCC5)ncc4F)nc3s2)CC1,WFXKQSPFPKLFPA-UHFFFAOYSA-N
-rxn:4:219688:225980,CC(C)(C)OC(=O)N1CCC(c2nc3ccc(-c4cc(N5CCOCC5)ncc4F)cn3n2)CC1,QEEYMWMZCDUWKA-UHFFFAOYSA-N
-rxn:4:219690:222634,CC(C)(C)OC(=O)N1CCC(n2nnc3cc(F)c(-c4ccc(OCCNC5CCCC5)c(F)c4)cc32)CC1,NYEYBLUIGNYAAU-UHFFFAOYSA-N
-rxn:4:219691:223530,CC(C)(C)OC(=O)N1CCN(Cc2ccc(F)cc2-c2cnn3c(Cl)cc(C4CCCN(C(=O)OC(C)(C)C)C4)nc23)CC1,AWYKFBSDXKONRO-UHFFFAOYSA-N
-rxn:4:219704:223059,CC(C)(C)OC(=O)N1CCN(c2cnc3ccc(-c4ccc(N5CCNCC5)cc4Cl)cc3n2)CC1,UGDSVUKSAVXIQG-UHFFFAOYSA-N
-rxn:4:219704:225984,CC(C)(C)OC(=O)N1CCN(c2cnc3ccc(-c4cnc(Cl)c(N5CCOCC5)c4)cc3n2)CC1,RVONNJGTOHQHPT-UHFFFAOYSA-N
-rxn:4:219750:225977,COc1ccc(-c2cc(Cl)cnc2N2CCOCC2)c(C(=O)N2CCCc3cnc(N4CCOCC4)nc32)c1,ISRXEBXIFOMZQD-UHFFFAOYSA-N
-rxn:4:219759:222948,CCN1CCN(C(=O)c2cc3n(n2)CC(c2ccc(-c4cnc(N5CCC(O)CC5)nc4Cl)cc2)OC3)CC1,JVCIYHARJLVBDY-UHFFFAOYSA-N
-rxn:4:219876:222634,CCN1CCN(C(=O)c2cnn(C)c2-c2ccc(OCCNC3CCCC3)c(F)c2)CC1,LSMUMLJENMMXAX-UHFFFAOYSA-N
-rxn:4:219880:224392,CSc1ncc(-c2cc(S(=O)(=O)N3CCOCC3)ccc2C)c(N2CCN(S(C)(=O)=O)CC2)n1,IDYBBXLOGMJNCS-UHFFFAOYSA-N
-rxn:4:219898:223595,Cc1ccnc(N2CCC(Oc3ccncc3-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)c(F)c3)C2)n1,RABPIAPRIUNORT-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:4:219991:225341,CCOc1ccc(OC(F)(F)F)c(-c2cncc(C(=O)N3CCC(N4CC(=O)N(C)C4=O)CC3)c2)c1,SQSPFYMTNLNGIP-UHFFFAOYSA-N
-rxn:4:219997:223595,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc(N4CCN(c5nccn(C6CC6)c5=O)CC4)cc3)cc2F)CC1,GZBDPHZBQUTHIU-UHFFFAOYSA-N
-rxn:4:220041:222637,CC(NC(=O)OC(C)(C)C)c1ccc(-c2nnn3c2CN(C(=O)OC(C)(C)C)CC3)cc1,BNFYXUAGFHPYLU-UHFFFAOYSA-N
-rxn:4:220041:222809,CC(C)(C)OC(=O)Nc1cnc(Cl)cc1-c1nnn2c1CN(C(=O)OC(C)(C)C)CC2,BHQVGRUNHKTBJZ-UHFFFAOYSA-N
-rxn:4:220137:224975,CCN1CCN(c2ccc(-c3ccc4nc(N5CCN(S(=O)(=O)C6CC6)CC5)ncc4c3)cc2)CC1,CMFSMFHEWVSNPZ-UHFFFAOYSA-N
-rxn:4:220154:224376,CN1CCN(S(=O)(=O)c2cccc(-c3ccccc3C(=O)N3Cc4cnc(N5CCOCC5)nc4C3)c2)CC1,GYYLUQWPCFPVCY-UHFFFAOYSA-N
-rxn:4:220204:226231,CCCCOc1ncc(-c2ccc3ncnc(N4CCOC(C(=O)N5CCOCC5)C4)c3c2)cc1C,GLNCOADYUNILMP-UHFFFAOYSA-N
-rxn:4:220237:223481,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3ccc4nc(N5CCN(c6ccccc6)CC5)nc(-c5ccccc5)c4c3)c(F)c2)CC1,XOFGUSGSMXQZAO-UHFFFAOYSA-N
-rxn:4:220414:222622,CCC(C)c1cc(-c2cnc(N3CCN(C)CC3)c([N+](=O)[O-])c2C)cc(C2CCCNC2)n1,WKJOCIICMZTKHB-UHFFFAOYSA-N
-rxn:4:220415:224011,CN1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCN(C5CCC5)CC4)nc3)cc2F)CC1,QPAHUSHMKOMLDM-UHFFFAOYSA-N
-rxn:4:220495:222545,CC(=O)C(C)n1c(-c2ccc(C(C)(C)NC(=O)OC(C)(C)C)cc2)nc2c1c(=O)n(C)c(=O)n2C,NGEZBYJYHNSLJU-UHFFFAOYSA-N
-rxn:4:220533:222848,CCc1cc(-c2cnc(N3CC(N4CC5CCCC5C4)C3)nc2)cc(C2CCCNC2)n1,WATCIDCUBMUKCK-UHFFFAOYSA-N
-rxn:4:220536:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3ccc4ncnc(N5CCN(C6CCC6)CC5)c4c3)c2)CC1,GEAJHMXPIVVOSZ-UHFFFAOYSA-N
-rxn:4:220536:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc4ncnc(N5CCN(C6CCC6)CC5)c4c3)cc2)CC1,KWKWFTIALKVIKB-UHFFFAOYSA-N
-rxn:4:220536:223983,CCN1CCN(S(=O)(=O)c2ccccc2-c2ccc3ncnc(N4CCN(C5CCC5)CC4)c3c2)CC1,IZDVHANNOLSKTF-UHFFFAOYSA-N
-rxn:4:220537:223830,CCN1CCN(S(=O)(=O)c2cc(-c3ccc4nc(N5CCN(C6CCC6)CC5)ncc4c3)ccc2C)CC1,KSZTYKZLWPSXAO-UHFFFAOYSA-N
-rxn:4:220537:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3ccc4nc(N5CCN(C6CCC6)CC5)ncc4c3)c2)CC1,BTTXPMZXTUXCPL-UHFFFAOYSA-N
-rxn:4:220537:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc4nc(N5CCN(C6CCC6)CC5)ncc4c3)cc2)CC1,OAQIAYVLOBGXLB-UHFFFAOYSA-N
-rxn:4:220537:223983,CCN1CCN(S(=O)(=O)c2ccccc2-c2ccc3nc(N4CCN(C5CCC5)CC4)ncc3c2)CC1,HGHKCWQMLANDBD-UHFFFAOYSA-N
-rxn:4:220879:223501,Cn1nc(-c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c(Cl)c2)c2cc([N+](=O)[O-])cnc21,SMTGYWWVMUNEPY-UHFFFAOYSA-N
-rxn:4:220935:223595,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc4ccc(N5CCOCC5)nn34)cc2F)CC1,BUBWFVHYFIAELF-UHFFFAOYSA-N
-rxn:4:221100:224400,COc1nn(C)cc1C(=O)N1CCC(COc2ncc(-c3ccc(N4CCOCC4)c(C(F)(F)F)c3)cn2)CC1,WAZNYCNRKCULJR-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:4:221127:223508,CCOC(=O)C1CCN(c2nc3c(S(=O)(=O)c4ccc(-c5ccc(N6CCN(S(=O)(=O)c7ccc(Cl)cc7)CC6)nc5)cc4)nnn3c3ccsc23)CC1,LOYFUHDPIBOMPS-UHFFFAOYSA-N
-rxn:4:221127:226590,CCOC(=O)C1CCN(c2nc3c(S(=O)(=O)c4ccc(-c5ccc(OC6CCOC6)nc5)cc4)nnn3c3ccsc23)CC1,SSNPFPOVSHDTON-UHFFFAOYSA-N
-rxn:4:221166:222541,CSc1ncc(-c2ccc(C(=O)NCCN3CCCCC3)cc2)c(N2CCC(COc3cnccn3)CC2)n1,DIZOXWJNZLDYNH-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:4:221173:224672,CCN1CCN(c2ccc(-c3cnc(OCC4CCCN(C(=O)c5ccc(=O)n(C)n5)C4)nc3)c(Cl)c2)CC1,ABPWOJJKBGFZGS-UHFFFAOYSA-N
-rxn:4:221180:224718,Cc1cc(C(=O)N2CCC(COc3ncc(-c4ccc(OCCN5CCOCC5)nc4)cn3)CC2)nn1C,LJPOEQWRHOQCKV-UHFFFAOYSA-N
-rxn:4:221181:225898,Cc1cc(C(=O)N2CCCC(COc3ncc(-c4cnn(CCN5CCOCC5)c4)cn3)C2)nn1C,IPZCWHQXNJPCGY-UHFFFAOYSA-N
-rxn:4:221205:224374,COc1ccc(S(=O)(=O)N2CCCC2)cc1-c1ccc(CCN2CCN(c3ccnc(N4CCOCC4)n3)CC2)cc1,MNZZNBLLTHLNAG-UHFFFAOYSA-N
-rxn:4:221237:223500,Cc1[nH]c2ccccc2c1C(=O)CSc1nnc2c(=O)n(-c3ccc(-c4ccc(F)c(C(=O)N5CCN(C(=O)OC(C)(C)C)CC5)c4)cc3)ccn12,NMVRNXZATYGTGL-UHFFFAOYSA-N
-rxn:4:221240:223594,Cn1nc2c(c1CN1CCCC(COc3ncc(-c4cc(Cl)cc(N5CCN(C(=O)OC(C)(C)C)CC5)c4)cn3)C1)CCC2,VVTFZXBZRCBQOT-UHFFFAOYSA-N
-rxn:4:221240:223670,Cn1nc2c(c1CN1CCCC(COc3ncc(-c4cccnc4N4CCN(C(=O)OC(C)(C)C)CC4)cn3)C1)CCC2,OKDMYLMYIIOHHJ-UHFFFAOYSA-N
-rxn:4:221240:225529,CCN(CC)Cc1ccc(-c2cnc(OCC3CCCN(Cc4c5c(nn4C)CCC5)C3)nc2)cc1F,KMWNNCIOPAFQTL-UHFFFAOYSA-N
-rxn:4:221247:225984,Cn1c(=O)c2c(SCC(=O)N3CCOCC3)nc(-c3ccc(-c4cnc(Cl)c(N5CCOCC5)c4)cc3)nc2n(C)c1=O,ODLLYTMSJZXTIV-UHFFFAOYSA-N
-rxn:4:221249:223064,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc4c(-c5ccc(C6CCNCC6)nc5F)cnn4c3)cc2)CC1,DOZMXNSFBPAQPM-UHFFFAOYSA-N
-rxn:4:221269:225859,CCOC(=O)Cn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3cnc(N4CCCCC4)c(Cl)c3)cc2)n(C)c1=O,JNJITSZQKWUGSX-UHFFFAOYSA-N
-rxn:4:221320:222542,Cc1ccc(-c2cnn(CC3CN(C(=O)c4ccc(=O)n(C)n4)C3)c2)cc1OCCCN1CCNCC1,AMVOLLYBGQZCJW-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:4:221367:223532,Cc1cnc(OCC2CCCN(c3ncc(-c4cc(F)cc(CN5CCN(C(=O)OC(C)(C)C)CC5)c4)cn3)C2)nc1,QTUUNHXCHXGOBF-UHFFFAOYSA-N
-rxn:4:221376:223536,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cnc(OC4CCN(c5cc(C6CC6)ncn5)CC4)nc3)cc(F)c2F)CC1,VVLOAMALIHNJDS-UHFFFAOYSA-N
-rxn:4:221379:224371,COC(=O)C1CCN(c2ncc(-c3cncc(C(=O)N4CCC(N(C)c5ncc(Cl)cn5)CC4)c3)cn2)CC1,JHNWJMFUDSKYLP-UHFFFAOYSA-N
-rxn:4:221389:223895,CCN1CCN(CCOc2ccc(-c3cnc(OCC4CCCN(c5ncnc(C)c5C)C4)nc3)cc2)CC1,AQBIWLHVHKFISE-UHFFFAOYSA-N
-rxn:4:221394:223542,CN1CCN(S(=O)(=O)c2cc(-c3cnc(N4CCC(Cn5nc(C6CC6)ccc5=O)CC4)nc3)ccc2OC(F)(F)F)CC1,KNXUAVYHZNSLFJ-UHFFFAOYSA-N
-rxn:4:221394:223774,COc1cccc2c1cc(-c1cnc(N3CCC(Cn4nc(C5CC5)ccc4=O)CC3)nc1)n2C(=O)OC(C)(C)C,DCQDUCCPTASPEP-UHFFFAOYSA-N
-rxn:4:221401:223844,CN(C)c1ccnc(N2CCN(Cc3cccc(-c4ccc(S(=O)(=O)N5CCCC5)cc4C(F)(F)F)c3)CC2)n1,WMJKBWCEUALLGJ-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:4:221424:222967,CC(C)CNC(=O)c1cccc(-c2cccc(CN3CCN(c4ccc(N5CCOCC5)nn4)CC3)c2)c1,FPIVVUWOXMGQCN-UHFFFAOYSA-N
-rxn:4:221428:222933,CC(C)(C)OC(=O)Nc1ncc(-c2ccc(CN3CCN(c4ccc(N5CCOCC5)nn4)CC3)cc2)cn1,AVYVLPMZTIPYHW-UHFFFAOYSA-N
-rxn:4:221440:226662,Cc1cc(N2CCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(N5CCN(C)CC5)s4)cc3)CC2)n1,DYMWZKRRNOXPAN-UHFFFAOYSA-N
-rxn:4:221440:226946,Cc1cc(N2CCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc5c(c4)CCN(C)C5)cc3)CC2)n1,KQIXYTPHUOHHHR-UHFFFAOYSA-N
-rxn:4:221441:224634,COc1ccc(-c2cccc(CN3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)c2)cc1CN1CCOCC1,MOMGPLAFYWSOPO-UHFFFAOYSA-N
-rxn:4:221446:223000,Cc1cc(N2CCOCC2)nc(N2CCN(Cc3ccc(-c4ccc(C5CCCNC5)c(F)c4)cc3)CC2)n1,NJRNMKCSJJETEA-UHFFFAOYSA-N
-rxn:4:221447:225978,Cc1cc(N2CCN(Cc3ccc(-c4ccc(N5CCOCC5)nc4F)cc3)CC2)nc(N2CCOCC2)n1,WDWOXQOXLOWTHG-UHFFFAOYSA-N
-rxn:4:221453:223696,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4ccc(S(=O)(=O)N5CCC6(CC5)OCCO6)cc4)cc3)CC2)n1,AINBTQRMLMGVMR-UHFFFAOYSA-N
-rxn:4:221456:222651,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(C(=O)NC5CCCCC5)ccc4F)cc3)CC2)n1,WYVDYSFLBAEDMD-UHFFFAOYSA-N
-rxn:4:221456:226661,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(N5CCN(C)CC5)cs4)cc3)CC2)n1,WOLZUFCTTKXJJK-UHFFFAOYSA-N
-rxn:4:221456:226662,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(N5CCN(C)CC5)s4)cc3)CC2)n1,QGUDATKMANMGMS-UHFFFAOYSA-N
-rxn:4:221456:227858,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccc5c4CN(C)C5)cc3)CC2)n1,PTGJCQGTXIYHKH-UHFFFAOYSA-N
-rxn:4:221498:223527,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)ccc2-c2c[nH]c3ncnc(N4CCN(C(=O)OC(C)(C)C)CC4)c23)CC1,CVARSJRMVHMPFR-UHFFFAOYSA-N
-rxn:4:221550:223812,CCCCn1c(=O)c2c(nc3n(-c4ccc(-c5cc(F)cc(CN6CCC7(CC6)OCCO7)c5)cc4)c(C)cn23)n(C)c1=O,UXPZNMNZLGLNSZ-UHFFFAOYSA-N
-rxn:4:221553:222634,CCCCn1c(=O)c2c(nc3n2CCCN3c2ccc(-c3ccc(OCCNC4CCCC4)c(F)c3)cc2)n(C)c1=O,ZXYXDBPFWLOABJ-UHFFFAOYSA-N
-rxn:4:221555:224010,COc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1ccc(-n2c(C)c(C)n3c4c(=O)n(CCCO)c(=O)n(C)c4nc23)cc1,QZDYHZIWJKZNCY-UHFFFAOYSA-N
-rxn:4:221617:223489,Cc1cc(C)nc(N2CC(Cn3cc(-c4ccc(S(=O)(=O)N5CCC(O[Si](C)(C)C(C)(C)C)CC5)cc4)cn3)C2)n1,KWXWCXCGFMCGEX-UHFFFAOYSA-N
-rxn:4:221634:223970,Cc1ccnc(N2CCN(c3ncc(-c4ccc(C)c(S(=O)(=O)N5CCC(C)CC5)c4)cc3C(F)(F)F)CC2)n1,ICECOKOFXXIUQB-UHFFFAOYSA-N
-rxn:4:221641:223526,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3cnc(N4CCC(n5nc(C6CC6)ccc5=O)CC4)nc3)cc2)CC1,OPHAMTVKVOKERP-UHFFFAOYSA-N
-rxn:4:221728:223532,Cn1nc(C2CCN(c3nc4ccc(-c5cc(F)cc(CN6CCN(C(=O)OC(C)(C)C)CC6)c5)cc4s3)CC2)n(C2CC2)c1=O,UUVFWQMYWLDUKW-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:4:221807:223679,CCN1CCN(S(=O)(=O)c2c(C)cc(-c3cnc(N4CCCCC4c4cnn(C)c4)nc3)cc2C)CC1,HKHTYNKGJXMXOV-UHFFFAOYSA-N
-rxn:4:221807:223689,CCN1CCN(S(=O)(=O)c2cc(-c3cnc(N4CCCCC4c4cnn(C)c4)nc3)ccc2OC)CC1,YRPVVBCOSJBGAX-UHFFFAOYSA-N
-rxn:4:221836:224656,COc1ccc(-c2cnc(N3CCCN(C4=NS(=O)(=O)c5ccccc54)CC3)nc2)c(F)c1OC1CCCC1,UUHPRNRABPRZLO-UHFFFAOYSA-N
-rxn:4:221933:223840,COc1ccc(-c2cncc(C(=O)N(C)C3CN(c4nccnc4C#N)C3)c2)cc1S(=O)(=O)N1CCN(C)CC1,LNXXCBVATWMIPV-UHFFFAOYSA-N
-rxn:4:221933:224248,CC1CCN(C(=O)c2ccc(-c3cncc(C(=O)N(C)C4CN(c5nccnc5C#N)C4)c3)cc2Cl)CC1,BRGWGGPBTGFQMO-UHFFFAOYSA-N
-rxn:4:221937:223945,Cn1cc(C(=O)N2CCC(COc3ncc(-c4ccc(OCCCN5CCOCC5)c(F)c4)cn3)CC2)nn1,KNIXYMBFQMIPBA-UHFFFAOYSA-N
-rxn:4:221937:224196,CCN1CCN(Cc2cc(F)cc(-c3cnc(OCC4CCN(C(=O)c5cn(C)nn5)CC4)nc3)c2)CC1,OVSIYLCDORDLKV-UHFFFAOYSA-N
-rxn:4:221965:222654,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(Cl)c(C(=O)NC6CCCCC6)c5)cc4)CC3)nn2)CC1,ARKZFGAHCJWORP-UHFFFAOYSA-N
-rxn:4:221967:223693,CC(=O)C(C(=O)N(C)C)n1cnc2c(nnn2-c2ccc(-c3cc(O[Si](C)(C)C(C)(C)C)cc(C(F)(F)F)c3F)cc2)c1=O,KSGOSJUOWZGEOI-UHFFFAOYSA-N
-rxn:4:221980:223046,CC(C)(C)OC(=O)N1CCN(c2cc(=O)n3nc(-c4cncc(-c5ccc(F)c(C(=O)NC6CC6)c5)c4)sc3n2)CC1,AYNGSEGHTKPSPI-UHFFFAOYSA-N
-rxn:4:221980:225975,CC(C)(C)OC(=O)N1CCN(c2cc(=O)n3nc(-c4cncc(-c5ccnc(N6CCOCC6)c5Cl)c4)sc3n2)CC1,LNJMXGFNKGXCGA-UHFFFAOYSA-N
-rxn:4:222015:222546,Cc1nccn1-c1cc(N2CCN(C(=O)c3ccc(-c4ccc(OCCNC5CCCCC5)c(F)c4)o3)CC2)ncn1,XFFYGENISPANQO-UHFFFAOYSA-N
-rxn:4:222039:226885,O=C(c1cc(-c2cc(C(F)(F)F)cc(Cl)c2F)ccc1-n1cnnn1)N1CCN(C2CCS(=O)(=O)C2)CC1,RJALTTBABZXZFJ-UHFFFAOYSA-N
-rxn:4:222039:226893,O=C(c1cc(-c2cc(Cl)c(C(F)(F)F)cc2F)ccc1-n1cnnn1)N1CCN(C2CCS(=O)(=O)C2)CC1,LICZEUCJPDWMKX-UHFFFAOYSA-N
-rxn:4:222046:222826,CCc1c(C)nc(C2CC2)nc1N1CCN(c2ncc(-c3cccc(S(=O)(=O)N4CCNCC4)c3)cn2)CC1,KKYUHHXLZAIFQM-UHFFFAOYSA-N
-rxn:4:222062:222833,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccc(NC(=O)CCC(C)C)c4)cc3)CC2)n1,GMPXZGRTBZAADT-UHFFFAOYSA-N
-rxn:4:222062:222893,CCOC(=O)c1n[nH]c2cc(-c3ccc(S(=O)(=O)N4CCN(c5nc(C)cc(N6CCN(C)CC6)n5)CC4)cc3)ccc12,HQTLAYGMCNNPSO-UHFFFAOYSA-N
-rxn:4:222062:223280,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cnc(C5CCNC5)nc4)cc3)CC2)n1,BMCKHYGGAOGXSM-UHFFFAOYSA-N
-rxn:4:222062:226182,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccnc4C4CCCCC4)cc3)CC2)n1,UPELUSWDKDBJLH-UHFFFAOYSA-N
-rxn:4:222062:226428,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(N5CCCCC5C)cs4)cc3)CC2)n1,DELBTYRJTUUCTD-UHFFFAOYSA-N
-rxn:4:222062:226429,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(N5CCCC(C)C5)s4)cc3)CC2)n1,HBVHJPRGFVBIJU-UHFFFAOYSA-N
-rxn:4:222062:226661,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(N5CCN(C)CC5)cs4)cc3)CC2)n1,BDKZLIIBEQTDFA-UHFFFAOYSA-N
-rxn:4:222062:226662,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(N5CCN(C)CC5)s4)cc3)CC2)n1,PZLZHRSIRLTFLB-UHFFFAOYSA-N
-rxn:4:222062:226663,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(N5CCSCC5)nc4)cc3)CC2)n1,COKONGMHTJZNHL-UHFFFAOYSA-N
-rxn:4:222062:227403,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(N5CCCCC5)s4)cc3)CC2)n1,SSYWEDFTEHFJEU-UHFFFAOYSA-N
-rxn:4:222062:227863,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc5c(c4)CCCO5)cc3)CC2)n1,ITSXRNYPWPOKKO-UHFFFAOYSA-N
-rxn:4:222062:228210,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(N5CCCC5)s4)cc3)CC2)n1,AIEOHAQANJSDTR-UHFFFAOYSA-N
-rxn:4:222112:222628,Cc1nc2ccc(OCC3CCN(c4ncc(-c5cc(C6CCC6)nc(C6CCCNC6)c5)cn4)CC3)nn2c1C,VOCXZQRCJIQJCK-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:4:222149:223508,O=S(=O)(c1ccc(Cl)cc1)N1CCN(c2ccc(-c3cnc(N4CCN(c5nccc(C(F)(F)F)n5)CC4)nc3)cn2)CC1,CRGHQVPBXFXDIS-UHFFFAOYSA-N
-rxn:4:222167:222628,Cc1nc(C2CC2)nc(N2CCN(c3ncc(-c4cc(C5CCC5)nc(C5CCCNC5)c4)cn3)CC2)c1C,ILOFRHDCEXPKOU-UHFFFAOYSA-N
-rxn:4:222169:222582,Cc1nc(N2CCN(c3ncc(-c4cccc(C(=O)NCCN5CCOCC5)c4)cn3)CC2)cc(C(C)(C)C)n1,NNNGNEHCLJZFSP-UHFFFAOYSA-N
-rxn:4:222331:223533,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cnc(N4CCN(c5nccc(N6CCOCC6)n5)CC4)nc3)c(F)c2)CC1,YQGIFBKBTCLOIV-UHFFFAOYSA-N
-rxn:4:222363:227260,COCc1cc(-c2cnc3nc(-c4ccc(N5CCN(C)CC5)cc4)[nH]c3c2N2CCN(Cc3cc(C)on3)CC2)ccc1OC,MKMCMSCCFZVDME-UHFFFAOYSA-N
-rxn:4:222387:223497,CC(c1ccc(-c2cnc(N3CCOC(Cn4nnc5ncc(-c6cnn(C)c6)nc54)C3)nc2)cc1)N1CCC(O[Si](C)(C)C(C)(C)C)CC1,MYCCKRJMWXVRPT-UHFFFAOYSA-N
-rxn:4:222389:207461,CCn1ncc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)c1C12COCCC1O2,ZHOSPMUVKCPHPI-UHFFFAOYSA-N
-rxn:4:222432:187970,CC(C)[Si](C(C)C)(C(C)C)n1cc(-c2ccc(S(=O)(=O)NC3CCCCC3)c3ccccc23)c2ccccc21,JNKWLAMRUXAGNS-UHFFFAOYSA-N
-rxn:4:222521:185350,CC(C)CS(=O)(=O)C1CCN(C(=O)c2cccc(-c3cc(NC(=O)OC(C)(C)C)cc(C(F)(F)F)c3)c2)CC1,FYJRKMOVBOHENY-UHFFFAOYSA-N
-rxn:4:222523:177232,CCS(=O)(=O)c1ccc(-c2ccc(S(=O)(=O)NC(C)(C)C)cc2C(F)(F)F)c(C(F)F)c1,JMOXWKNZOODFER-UHFFFAOYSA-N
-rxn:4:222523:185282,CC(C)(C)NS(=O)(=O)c1ccc(-c2cccc(CN(C(=O)c3ccccc3Cl)C3CCS(=O)(=O)C3)c2)c(C(F)(F)F)c1,ZJYRESKZOKNREE-UHFFFAOYSA-N
-rxn:4:222523:204957,Cc1cccc(N2C(=O)c3oc4ccc(-c5ccc(S(=O)(=O)NC(C)(C)C)cc5C(F)(F)F)cc4c(=O)c3C2c2ccc(C(C)C)cc2)n1,SMLZUIJBSUDGNK-UHFFFAOYSA-N
-rxn:4:222543:187287,Cc1cccc(C(=O)N(C(C)C)C(C)C)c1-c1ccc(C2(NC(=O)OC(C)(C)C)CC2)cc1,DAAKYMYOYOBCSW-UHFFFAOYSA-N
-rxn:4:222602:189984,C/C(=N\[S@](=O)C(C)(C)C)c1ccc(-c2cc(CC(C)C)sc2S(=O)(=O)NC(C)(C)C)cc1,QHWYJUKBNHUTBO-MKAJAAKTSA-N
-rxn:4:222613:197023,CCCNS(=O)(=O)c1ccc(-c2cc(C)n(C3CCS(=O)(=O)C3)c2C)c(C(F)(F)F)c1,NKTIHNYNDACXNG-UHFFFAOYSA-N
-rxn:4:222710:185112,COc1ccc(S(=O)(=O)NC(C)(C)C)cc1-c1cc(-c2ccc(C(F)(F)F)cc2)n(C(=O)OC(C)(C)C)c1,MDCWNQFELLFINJ-UHFFFAOYSA-N
-rxn:4:222742:217889,c1nc(N2C3CCC2CC(=C2CC2)C3)ncc1-c1cc(C2CCNCC2)nc(C2CC2)c1,ZYBBTBJKIVTNSG-UHFFFAOYSA-N
-rxn:4:222744:174528,COc1ccc(C)c(-c2c(C(C)C)cc(C(C)C)cc2C(C)C)c1-c1ccccc1CNC(=O)OC(C)(C)C,ZVSIIDZIYYZWIQ-UHFFFAOYSA-N
-rxn:4:222751:185079,Cc1ccc(-c2ccc(N(C(=O)OC(C)(C)C)C(C)C)cc2)cc1NC(=O)OC(C)(C)C,MEWWDOCFMKCIQO-UHFFFAOYSA-N
-rxn:4:222883:199500,COC(=O)C(C(=O)OC(C)(C)C)c1ncc(-c2ccc(C(=O)NC(C)(C)C)cc2Cl)cn1,LATNRVWHQVRGGE-UHFFFAOYSA-N
-rxn:4:222910:187849,CCCNS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)cc3c2CCN3C(=O)OC(C)(C)C)c(C)c1,HFNZSWQQURPKCB-UHFFFAOYSA-N
-rxn:4:222940:176105,CC(C)(C)NS(=O)(=O)c1cncc(-c2ccc(O[Si](C)(C)C(C)(C)C)cc2C(F)(F)F)c1,XIIHYBMYOODAMD-UHFFFAOYSA-N
-rxn:4:222941:178382,CONS(=O)(=O)c1c(C)cc(-c2cc(C(C)(C)C)c(C(C)(C)C)c(C(C)(C)C)c2)cc1C,IMLPTOUOIQSWSG-UHFFFAOYSA-N
-rxn:4:223570:184408,COC(=O)Cc1c(-c2c(F)ncc3c2ccn3[Si](C(C)C)(C(C)C)C(C)C)ccc(C(F)F)c1C#N,NZOMXVWEIXLYJI-UHFFFAOYSA-N
-rxn:4:223580:174522,COC(=O)c1ccc2c(c1)cc(-c1ccc(C#C[Si](C(C)C)(C(C)C)C(C)C)cc1)n2C(=O)OC(C)(C)C,KFPDXGKBMUADFG-UHFFFAOYSA-N
-rxn:4:223580:199731,COC(=O)c1ccc2c(c1)cc(-c1ccc(C(=O)Oc3c(Sc4ccc(Cl)cc4)c(C)nn3C(C)(C)C)o1)n2C(=O)OC(C)(C)C,GFWFMSDUUHFQLT-UHFFFAOYSA-N
-rxn:4:223940:187969,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc4c(c3)OCCN4C(=O)OC(C)(C)C)cccc21,NSVKOTPDHYBSFQ-UHFFFAOYSA-N
-rxn:5:176858:223002:223006,COC(=O)c1cc(-c2ccc(C3CCNCC3)cc2F)c(OC)cc1-c1ccc(F)c(C2CCNCC2)c1,IMXZCKVUYFMKNS-UHFFFAOYSA-N
-rxn:5:176858:223006:223002,COC(=O)c1cc(-c2ccc(F)c(C3CCNCC3)c2)c(OC)cc1-c1ccc(C2CCNCC2)cc1F,ZAWDEKCWAYRDAD-UHFFFAOYSA-N
-rxn:5:177190:226661:222990,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCC(O)CC3)cc2)c(-c2cc(N3CCN(C)CC3)cs2)c1,GTRMHSQYSYOTFE-UHFFFAOYSA-N
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-rxn:5:177733:225633:223061,CC(C)(C)OC(=O)c1cc(-c2ccc(N3CCCCCC3)nc2)cc(-c2cc(C3CCNCC3)ncc2F)c1,XRYGWIGTKRTBKR-UHFFFAOYSA-N
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-rxn:5:182011:226069:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(C2CCOCC2)ccc1-c1cccc(C2CCCCC2)c1,IVVIKZFWYQXCFK-UHFFFAOYSA-N
-rxn:5:182012:222957:226686,Cc1cc(-c2ccc(-c3c(C)cnn3C3CCCCO3)c(C3CCCOC3)c2)cc(C2CCCNC2)c1,AIAOMMOLJJECAF-UHFFFAOYSA-N
-rxn:5:182012:226686:222985,Cc1cnn(C2CCCCO2)c1-c1ccc(-c2ccc(C3CCCNC3)nc2C)c(C2CCCOC2)c1,XLTIQSCYPISREP-UHFFFAOYSA-N
-rxn:5:183217:225832:227064,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2ccccc2OC(C)(C)C)cc2c1OC(C)(C)CC2=O,HVXUNYFKAWBAJP-UHFFFAOYSA-N
-rxn:5:188446:223006:223006,COC(=O)c1cc(-c2ccc(F)c(C3CCNCC3)c2)c(-c2ccc(F)c(C3CCNCC3)c2)c([N+](=O)[O-])c1,AARBEVPKTDCSCT-UHFFFAOYSA-N
-rxn:5:188446:226329:223006,COC(=O)c1cc(-c2ccc(C3(C#N)CC3)c(F)c2)c(-c2ccc(F)c(C3CCNCC3)c2)c([N+](=O)[O-])c1,YARCPBLAGOCVFG-UHFFFAOYSA-N
-rxn:5:188446:226331:223006,COC(=O)c1cc(-c2ccc(C3(C#N)CC3)cc2F)c(-c2ccc(F)c(C3CCNCC3)c2)c([N+](=O)[O-])c1,IUCRIZFWDUPSGD-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:5:188459:223058:223164,COC(=O)c1cc([N+](=O)[O-])c(-c2cc(F)nc(C3CCCNC3)c2)cc1-c1cc(F)c(F)c(NC2CC2)c1,WBPISCCOGCGWBR-UHFFFAOYSA-N
-rxn:5:188459:225622:226452,COC(=O)c1cc([N+](=O)[O-])c(-c2ccccc2OC2CCCCO2)cc1-c1ccc(C2OCCCO2)cc1,YXEZHNSCCAKPPR-UHFFFAOYSA-N
-rxn:5:188787:223065:225982,O=[N+]([O-])c1cc(-c2ccc(N3CCNCC3)cc2F)c(-c2cnc(N3CCOCC3)cc2F)cc1OC1CC1,XLRSPEHGCZBZOV-UHFFFAOYSA-N
-rxn:5:188787:225988:223135,O=[N+]([O-])c1cc(-c2c(F)cc(C3OCCO3)cc2F)c(-c2cccnc2C2CCCNC2)cc1OC1CC1,DHZGTMADDBEBCY-UHFFFAOYSA-N
-rxn:5:188787:227657:223065,O=[N+]([O-])c1cc(-c2ccc(N3CCOCC3)s2)c(-c2ccc(N3CCNCC3)cc2F)cc1OC1CC1,BNCHSZHISQQVKF-UHFFFAOYSA-N
-rxn:5:188932:225394:226374,COC(=O)c1cc(-c2cc(C3CCC3)cc(C3CC3)c2)c(S(N)(=O)=O)c(-c2cncnc2C2CCCCC2)c1,CCHOJSVZDMZEKE-UHFFFAOYSA-N
-rxn:5:188932:225394:226382,COC(=O)c1cc(-c2cnc(C3CCCCC3)nc2)c(S(N)(=O)=O)c(-c2cc(C3CCC3)cc(C3CC3)c2)c1,JMRXCQHZKZVJPJ-UHFFFAOYSA-N
-rxn:5:188932:225394:227377,COC(=O)c1cc(-c2cc(C3CCC3)cc(C3CC3)c2)c(S(N)(=O)=O)c(-c2cncnc2C2CCCC2)c1,PLERQBRNHZWFBJ-UHFFFAOYSA-N
-rxn:5:188932:225394:227381,COC(=O)c1cc(-c2cnc(C3CCCC3)nc2)c(S(N)(=O)=O)c(-c2cc(C3CCC3)cc(C3CC3)c2)c1,GJNBTHSSLTUBTO-UHFFFAOYSA-N
-rxn:5:188932:226060:226382,COC(=O)c1cc(-c2cnc(C3CCCCC3)nc2)c(S(N)(=O)=O)c(-c2cc(C3CC3)cc(C3CC3)c2)c1,HZVBTPFJANNMMP-UHFFFAOYSA-N
-rxn:5:188932:226319:223065,COC(=O)c1cc(-c2ccc(C(=O)N3CCC3)cc2)c(S(N)(=O)=O)c(-c2ccc(N3CCNCC3)cc2F)c1,IWZBDWWOPIDWSC-UHFFFAOYSA-N
-rxn:5:189001:226335:225933,COC(=O)C1(c2nc(-c3cc(C4CC4)nc(C(F)(F)F)c3)ccc2-c2ccc(C3COC3)c(C#N)c2)CC1,XDXCTPZPZHKBOE-UHFFFAOYSA-N
-rxn:5:189079:226662:222998,CCN(C)C(=O)c1ccc(-c2cc(F)cc(C3CCCNC3)c2)c(-c2ccc(N3CCN(C)CC3)s2)c1,FTVCZOAZZWQGSI-UHFFFAOYSA-N
-rxn:5:189079:226662:223007,CCN(C)C(=O)c1ccc(-c2cc(F)cc(C3CCNCC3)c2)c(-c2ccc(N3CCN(C)CC3)s2)c1,KMNNNPLBQQQNFZ-UHFFFAOYSA-N
-rxn:5:189207:225465:228181,COCc1cc(F)ccc1-c1ccc(-c2cccc(C3CCN(C)CC3)c2)cc1C(=O)ON1C(=O)CCC1=O,ZJBTUQRATHYWOA-UHFFFAOYSA-N
-rxn:5:189207:227278:227278,N#CC1(c2ccc(-c3ccc(-c4ccc(C5(C#N)CC5)nc4)c(C(=O)ON4C(=O)CCC4=O)c3)cn2)CC1,PCCVAJGKGYEKRP-UHFFFAOYSA-N
-rxn:5:189207:227387:227023,CC(c1ccc(-c2ccc(-c3ccnc(N4CCCC4)c3)cc2C(=O)ON2C(=O)CCC2=O)cc1)N(C)C,IWCCSDVNXVXQAK-UHFFFAOYSA-N
-rxn:5:189207:227413:227023,CC(c1ccc(-c2ccc(-c3cnc(C4CCC4)cc3F)cc2C(=O)ON2C(=O)CCC2=O)cc1)N(C)C,BZRHBNAAMXUWDL-UHFFFAOYSA-N
-rxn:5:189207:227993:225813,COc1ccc(C)c(-c2ccc(-c3cc(F)c(OC(C)C)c(F)c3C)c(C(=O)ON3C(=O)CCC3=O)c2)c1C,HFULWUQLRFUFOD-UHFFFAOYSA-N
-rxn:5:189207:228210:227023,CC(c1ccc(-c2ccc(-c3ccc(N4CCCC4)s3)cc2C(=O)ON2C(=O)CCC2=O)cc1)N(C)C,FYVMOWAJWYEKAB-UHFFFAOYSA-N
-rxn:5:189208:223281:227448,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc(C3(O)COC3)nc2)cc1-c1ccc(C2COC2)c(F)c1,YNXYFPNTMRQNNM-UHFFFAOYSA-N
-rxn:5:189208:225592:228681,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cc(F)ccc2CN2CCCC2)cc1-c1ccnn1CC1CC1,KGXOSRWEIOSDAD-UHFFFAOYSA-N
-rxn:5:189208:227387:227023,CC(c1ccc(-c2cc(-c3ccnc(N4CCCC4)c3)ccc2C(=O)ON2C(=O)CCC2=O)cc1)N(C)C,JNIWNBMWIYKOGO-UHFFFAOYSA-N
-rxn:5:189208:228210:227023,CC(c1ccc(-c2cc(-c3ccc(N4CCCC4)s3)ccc2C(=O)ON2C(=O)CCC2=O)cc1)N(C)C,IPOMMVQWJOESLX-UHFFFAOYSA-N
-rxn:5:189208:228728:225617,COc1ncc(-c2ccc(C(=O)ON3C(=O)CCC3=O)c(-c3ccc(OC4CCCCO4)cc3)c2)cc1C,XWRUKTOGXJNHPZ-UHFFFAOYSA-N
-rxn:5:189209:225584:228196,Cc1ncnc(C2CC2)c1-c1cc(C(=O)ON2C(=O)CCC2=O)cc(-c2ccc(C(=O)N3CCCC3)cc2)c1,HEYNTUDAFADVMB-UHFFFAOYSA-N
-rxn:5:189209:227297:226662,CN(C)Cc1ccc(F)c(-c2cc(C(=O)ON3C(=O)CCC3=O)cc(-c3ccc(N4CCN(C)CC4)s3)c2)c1,JFPMKMCPCHZNMQ-UHFFFAOYSA-N
-rxn:5:189209:228580:225602,N#CC1(c2ccc(F)c(-c3cc(C(=O)ON4C(=O)CCC4=O)cc(-c4cccnc4C4CC4)c3)c2)CCC1,TUUKSYZBPQHAIS-UHFFFAOYSA-N
-rxn:5:189210:223192:227761,CNS(=O)(=O)c1cc(-c2cccc(-c3ccc(F)cc3C(F)(F)F)c2C(=O)ON2C(=O)CCC2=O)ccc1F,KWGYKQQZTOUVLT-UHFFFAOYSA-N
-rxn:5:189210:226172:227682,Cc1ccc(N2CCCC2)cc1-c1cccc(-c2cc(C#N)cc([N+](=O)[O-])c2)c1C(=O)ON1C(=O)CCC1=O,JSAXDRGMLVGTLO-UHFFFAOYSA-N
-rxn:5:189210:227023:227387,CC(c1ccc(-c2cccc(-c3ccnc(N4CCCC4)c3)c2C(=O)ON2C(=O)CCC2=O)cc1)N(C)C,MGYKUBYTNTYGQP-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:5:189212:223065:229082,CN(C)c1csc(-c2ccc(C(=O)ON3C(=O)CCC3=O)cc2-c2ccc(N3CCNCC3)cc2F)c1,NMMJFHVYZCJIAC-UHFFFAOYSA-N
-rxn:5:189212:227023:227387,CC(c1ccc(-c2cc(C(=O)ON3C(=O)CCC3=O)ccc2-c2ccnc(N3CCCC3)c2)cc1)N(C)C,JFVYGMAHNFHSNS-UHFFFAOYSA-N
-rxn:5:189212:227024:227387,CC(c1cccc(-c2cc(C(=O)ON3C(=O)CCC3=O)ccc2-c2ccnc(N3CCCC3)c2)c1)N(C)C,JXRTUBFWAUBEMZ-UHFFFAOYSA-N
-rxn:5:189212:227299:223132,CN(C)Cc1cc(F)cc(-c2cc(C(=O)ON3C(=O)CCC3=O)ccc2-c2cccc(N3CCNCC3)c2)c1,HVKNUSJIKOCNTJ-UHFFFAOYSA-N
-rxn:5:189212:227387:227023,CC(c1ccc(-c2ccc(C(=O)ON3C(=O)CCC3=O)cc2-c2ccnc(N3CCCC3)c2)cc1)N(C)C,DRVAULMETBNHAQ-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:5:189212:229088:223065,CC(=O)c1csc(-c2cc(C(=O)ON3C(=O)CCC3=O)ccc2-c2ccc(N3CCNCC3)cc2F)c1,MHOQESFVEDJRBX-UHFFFAOYSA-N
-rxn:5:189323:226134:225940,Cc1c(-c2cnc(-c3cc(C(F)(F)F)cnc3C3CC3)cc2C(=O)OC(C)(C)C)cc(C#N)cc1C1CC1,JIXZFEXAGPXDLE-UHFFFAOYSA-N
-rxn:5:189540:226661:225926,COC1CN(Cc2cc(-c3cc(N4CCN(C)CC4)cs3)ccc2-c2ccc(S(=O)(=O)N3CCC3)cc2)C1,XPLTZGOBMJRMDJ-UHFFFAOYSA-N
-rxn:5:189662:225587:227713,Fc1ccc(OC(F)F)c(-c2ncc(-c3cccc(CN4CCOCC4)c3)cc2OCC2CCOCC2)c1,TYHUXVFKIXIBIY-UHFFFAOYSA-N
-rxn:5:189662:226757:226179,Cc1cc(-c2cnc(-c3cncc(C4CCCCC4)c3)c(OCC3CCOCC3)c2)ccc1OC(F)(F)F,OULDPMXABBYEBC-UHFFFAOYSA-N
-rxn:5:189667:227336:225942,CC(C)Oc1cc(F)ccc1-c1cc(/C=N/[S@@](=O)C(C)(C)C)cc(-c2cnc(C(C)C)c(C(F)(F)F)c2)c1,PEKSSQVKNPPFDG-UISXVXBLSA-N
-rxn:5:189671:225799:226742,CC(C)(C)S(=O)/N=C/c1c(-c2cncc(OC3CCOCC3)c2)cccc1-c1ccc(C#N)cc1C(F)(F)F,FJRNGYHOLYKIRA-MWBNBJEGSA-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:5:189674:223061:227089,CC(C)(C)S(=O)/N=C/c1ccc(-c2ccncc2C2CCCC2)cc1-c1cc(C2CCNCC2)ncc1F,FMGNEUCXFGEEAZ-IZYHBKOJSA-N
-rxn:5:189674:227520:225641,CC1CCCN(c2cc(-c3ccc(/C=N/S(=O)C(C)(C)C)c(-c4cnc(OC(C)C)cc4F)c3)ccn2)C1,DCAIDARQDMHYCV-KVAAJVFYSA-N
-rxn:5:189718:223006:226663,O=[N+]([O-])c1cc(-c2ccc(N3CCSCC3)nc2)c(-c2ccc(F)c(C3CCNCC3)c2)cc1OC1CCOCC1,WUARDSLPTGXGGT-UHFFFAOYSA-N
-rxn:5:189718:223006:227684,O=[N+]([O-])c1cc(-c2cnn(CC3OCCO3)c2)c(-c2ccc(F)c(C3CCNCC3)c2)cc1OC1CCOCC1,SKQZPHPDWHQELW-UHFFFAOYSA-N
-rxn:5:189718:223068:223139,O=[N+]([O-])c1cc(-c2ccc(C3CCNCC3)nc2)c(-c2ccc3[nH]c(C(F)(F)F)cc3c2)cc1OC1CCOCC1,AULKWLUHGWPCTB-UHFFFAOYSA-N
-rxn:5:189718:223068:226447,O=[N+]([O-])c1cc(-c2ccnc(C3CCOCC3)c2)c(-c2ccc3[nH]c(C(F)(F)F)cc3c2)cc1OC1CCOCC1,VNRYWMFWIJYGQS-UHFFFAOYSA-N
-rxn:5:189718:223135:223438,O=[N+]([O-])c1cc(-c2cn[nH]c2C(F)(F)F)c(-c2cccnc2C2CCCNC2)cc1OC1CCOCC1,SMLNDZMKDGMOSO-UHFFFAOYSA-N
-rxn:5:189718:223438:227684,O=[N+]([O-])c1cc(-c2cnn(CC3OCCO3)c2)c(-c2cn[nH]c2C(F)(F)F)cc1OC1CCOCC1,LVTFPLDHRZYSLN-UHFFFAOYSA-N
-rxn:5:189718:225934:227684,O=[N+]([O-])c1cc(-c2cnn(CC3OCCO3)c2)c(-c2cnc(C(F)(F)F)c(C3CC3)c2)cc1OC1CCOCC1,CPRZTKBSBZQLDK-UHFFFAOYSA-N
-rxn:5:189718:226447:223068,O=[N+]([O-])c1cc(-c2ccc3[nH]c(C(F)(F)F)cc3c2)c(-c2ccnc(C3CCOCC3)c2)cc1OC1CCOCC1,FABWECQNMGTVQZ-UHFFFAOYSA-N
-rxn:5:189718:226663:223006,O=[N+]([O-])c1cc(-c2ccc(F)c(C3CCNCC3)c2)c(-c2ccc(N3CCSCC3)nc2)cc1OC1CCOCC1,JZOJKWJKGUKBJK-UHFFFAOYSA-N
-rxn:5:189718:227449:228481,O=[N+]([O-])c1cc(-c2ccnc(C(F)(F)F)c2)c(-c2ccc(C3CCOCC3)s2)cc1OC1CCOCC1,WYPWVTMNXCLTRJ-UHFFFAOYSA-N
-rxn:5:189718:227684:223438,O=[N+]([O-])c1cc(-c2cn[nH]c2C(F)(F)F)c(-c2cnn(CC3OCCO3)c2)cc1OC1CCOCC1,YBZRPRYAHQJIMO-UHFFFAOYSA-N
-rxn:5:189718:228012:226794,O=[N+]([O-])c1cc(-c2cnc(N3CCSCC3)nc2)c(-c2cccc(F)c2C2CC2)cc1OC1CCOCC1,OOYFWJZMOWWMJW-UHFFFAOYSA-N
-rxn:5:189718:228234:223135,O=[N+]([O-])c1cc(-c2cccnc2C2CCCNC2)c(-c2c(C3CC3)ccnc2F)cc1OC1CCOCC1,DWYCTPIBFKHFDO-UHFFFAOYSA-N
-rxn:5:189718:228234:225934,O=[N+]([O-])c1cc(-c2cnc(C(F)(F)F)c(C3CC3)c2)c(-c2c(C3CC3)ccnc2F)cc1OC1CCOCC1,PDHMCFRHJYNORN-UHFFFAOYSA-N
-rxn:5:189908:226062:226740,CC(C)c1cc(-c2cnc(-c3cccc(C(F)(F)F)c3C#N)c(OCC3CCCCC3)c2)cc(C(C)C)c1,LHEXNKKDHZSRIN-UHFFFAOYSA-N
-rxn:5:189909:225982:225976,Fc1cc(N2CCOCC2)ncc1-c1ccc(-c2ccnc(N3CCOCC3)c2F)cc1CCN1CCOCC1,VMYBTDLJMPFKNQ-UHFFFAOYSA-N
-rxn:5:189910:225833:225849,Fc1cc(N2CCCCC2)ncc1-c1ccc(-c2ccnc(N3CCCCC3)c2F)cc1CCN1CCOCC1,NLPPZDBWNNJBPB-UHFFFAOYSA-N
-rxn:5:189910:226644:225976,Fc1c(-c2ccc(-c3cncc(N4CCOCC4)c3)cc2CCN2CCOCC2)ccnc1N1CCOCC1,CAAMAAAWWWTSPK-UHFFFAOYSA-N
-rxn:5:189910:226664:225982,Fc1cnc(N2CCCC2)cc1-c1ccc(-c2cnc(N3CCOCC3)cc2F)c(CCN2CCOCC2)c1,HMOSYQLWNOEHTO-UHFFFAOYSA-N
-rxn:5:189952:222417:223006,COc1c(-c2ccc(F)c(C3CCNCC3)c2)cc(C(=O)N2CCOCC2)cc1-c1cnc(=O)[nH]c1C(C)C,FCDYSQNXTPEUTJ-UHFFFAOYSA-N
-rxn:5:189952:223061:228653,COc1c(-c2cc(C3CCNCC3)ncc2F)cc(C(=O)N2CCOCC2)cc1-c1cnn2c1CCCC2,QKUJQQGWSBDENH-UHFFFAOYSA-N
-rxn:5:189952:226187:227821,CCc1c(C)cc(C)cc1-c1cc(C(=O)N2CCOCC2)cc(-c2cccc(C3CCOCC3)c2)c1OC,FDGISDHAQYMHMJ-UHFFFAOYSA-N
-rxn:5:189952:226461:226028,COc1c(-c2ccc(C(F)(F)F)c(C#N)c2F)cc(C(=O)N2CCOCC2)cc1-c1cncc2c1ccn2C(C)=O,OJZUFUUVRHHKJE-UHFFFAOYSA-N
-rxn:5:189952:226767:227800,COc1ccc(C(F)(F)F)c(-c2cc(C(=O)N3CCOCC3)cc(-c3cc(F)nc(C(F)(F)F)c3)c2OC)c1,HTIRAVIFSCKJQC-UHFFFAOYSA-N
-rxn:5:189952:227968:226366,COc1c(-c2ccnc(N3CCCCC3)c2)cc(C(=O)N2CCOCC2)cc1-c1cnccc1C1CCC1,RQYIUTKQABBDES-UHFFFAOYSA-N
-rxn:5:190001:226661:227301,CN(C)Cc1cc(F)ccc1-c1ccc(CC(=O)N2CCCCC2)cc1-c1cc(N2CCN(C)CC2)cs1,LTGNUNPVEADBQT-UHFFFAOYSA-N
-rxn:5:190127:227718:227408,COC1CCN(C(=O)c2cc(-c3ccc(OC(F)F)cc3F)ccc2-c2cc(C3CCC3)ncc2F)CC1,CGGPTJRDZNLBRB-UHFFFAOYSA-N
-rxn:5:190194:226643:227710,COC1CCN(Cc2cccc(-c3ccc(N4CCOCC4)nc3)c2-c2ccc(OS(C)(=O)=O)cc2)CC1,NBVWUHLMSBHXRV-UHFFFAOYSA-N
-rxn:5:190194:227710:226371,COC1CCN(Cc2cccc(-c3ccc(OS(C)(=O)=O)cc3)c2-c2cnc(N3CCCC3)cc2C)CC1,FGIZSOHEMXUAQP-UHFFFAOYSA-N
-rxn:5:190194:227710:226643,COC1CCN(Cc2cccc(-c3ccc(OS(C)(=O)=O)cc3)c2-c2ccc(N3CCOCC3)nc2)CC1,AOZGDNFUGBCHEZ-UHFFFAOYSA-N
-rxn:5:190194:227710:226649,COC1CCN(Cc2cccc(-c3ccc(OS(C)(=O)=O)cc3)c2-c2cccnc2N2CCOCC2)CC1,KJCXJOLGTJDQMP-UHFFFAOYSA-N
-rxn:5:190194:227710:227657,COC1CCN(Cc2cccc(-c3ccc(OS(C)(=O)=O)cc3)c2-c2ccc(N3CCOCC3)s2)CC1,JVLOZTDIKXVSRE-UHFFFAOYSA-N
-rxn:5:190194:228066:223010,COC1CCN(Cc2cccc(-c3ccc4c(c3)OCCO4)c2-c2ccc(C3(O)CCOCC3)cc2)CC1,AJMXOQCVPVMXKK-UHFFFAOYSA-N
-rxn:5:190194:228071:223010,COC1CCN(Cc2cccc(-c3cccc4c3OCCO4)c2-c2ccc(C3(O)CCOCC3)cc2)CC1,GFGRLPNUICAEEK-UHFFFAOYSA-N
-rxn:5:190194:228695:225988,COC1CCN(Cc2cccc(-c3csc(CN(C)C)c3)c2-c2c(F)cc(C3OCCO3)cc2F)CC1,CKOXXFRBCCRELU-UHFFFAOYSA-N
-rxn:5:190195:222417:223062,CC(C)c1[nH]c(=O)ncc1-c1ccc(CN(C)C2CCOCC2)cc1-c1cnc(C2CCNCC2)cc1F,YBVJIPFJBJMGRH-UHFFFAOYSA-N
-rxn:5:190195:223113:223062,CN(Cc1ccc(-c2ccc3c(c2)C(C)(C)C(=O)N3)c(-c2cnc(C3CCNCC3)cc2F)c1)C1CCOCC1,CKOKAHNSRKPACC-UHFFFAOYSA-N
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-rxn:5:190195:225464:228335,COc1ccnc(OC)c1-c1cc(CN(C)C2CCOCC2)ccc1-c1cccc(N2CCCC(C)C2)c1,OVYLXDSWLPFUKN-UHFFFAOYSA-N
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-rxn:5:190196:223058:225436,CN(Cc1ccc(-c2cc(F)nc(C3CCCNC3)c2)cc1-c1ccc(CN2CCCCC2)cc1)C1CCOCC1,ZPSUWMHEVJYZJO-UHFFFAOYSA-N
-rxn:5:190196:225594:225613,CN(Cc1ccc(-c2ccc(F)cc2CN2CCCC2)cc1-c1ccnc(OC2CCCCC2)c1)C1CCOCC1,HMDOVFBJYCNZLT-UHFFFAOYSA-N
-rxn:5:190196:227301:222998,CN(C)Cc1cc(F)ccc1-c1ccc(CN(C)C2CCOCC2)c(-c2cc(F)cc(C3CCCNC3)c2)c1,UWPOJGOSWHYWLC-UHFFFAOYSA-N
-rxn:5:190196:227491:223113,CN(Cc1ccc(-c2cnc(OC3CCC3)nc2)cc1-c1ccc2c(c1)C(C)(C)C(=O)N2)C1CCOCC1,HWJCDMNOTZEHEU-UHFFFAOYSA-N
-rxn:5:190196:227710:223135,CN(Cc1ccc(-c2ccc(OS(C)(=O)=O)cc2)cc1-c1cccnc1C1CCCNC1)C1CCOCC1,DJQBMTJSZICIQP-UHFFFAOYSA-N
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-rxn:5:190198:227284:225437,CN(Cc1c(-c2cccc(CN3CCCCC3)c2)cccc1-c1cc(C#N)ncc1C1CC1)C1CCOCC1,RLFBPGLNGOOABW-UHFFFAOYSA-N
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-rxn:5:190231:226856:228930,COc1cnc(C(F)(F)F)cc1-c1cc(C(=O)N2CCOC(C)C2)cc(-c2ccnc(F)c2SC)c1OC,XCYSMYPFFREERB-UHFFFAOYSA-N
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-rxn:5:190299:227185:227716,COc1ccc(-c2ccc3c(c2)N(C)CCO3)cc1C=C1SC(=O)N(c2ccc(-c3cccc(F)c3OC(F)F)cc2)C1=O,DFUDNOZLKCAMBJ-UHFFFAOYSA-N
-rxn:5:190299:227199:227370,COc1ccc(-c2ccc3c(c2)N(C)C(=O)C3)cc1C=C1SC(=O)N(c2ccc(-c3ccc(OC4CC4)c(F)c3)cc2)C1=O,HIJZOZVTVOUDFJ-UHFFFAOYSA-N
-rxn:5:190308:225590:225816,CC1CCCN(CCc2cc(-c3ccc(CN4CCCC4)c(F)c3)ccc2-c2cc(C3CC3)ccc2C(F)(F)F)C1,DFLXXKFAGXPAFZ-UHFFFAOYSA-N
-rxn:5:190308:226685:226907,CC1CCCN(CCc2cc(-c3cnc(C4CCOCC4)nc3)ccc2-c2cccc3c2CCC32CC2)C1,DMGIDWDHZKCSRE-UHFFFAOYSA-N
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-rxn:5:190335:226571:227977,COc1cc(C)c(-c2cc(C(=O)N3CCCCC3C)cc(-c3cnn(CC4CCOCC4)c3)c2OC)cc1C,BSUHKJAXZNNHBS-UHFFFAOYSA-N
-rxn:5:190336:225417:225607,CCOc1ccc2ccccc2c1-c1cc(C(=O)N2CCCC(C)C2)cc(-c2ccc(C(C)N3CCCCC3)s2)c1OC,AXBHSCSWUWSBSI-UHFFFAOYSA-N
-rxn:5:190336:225456:227749,COc1c(-c2ccc(C3CCN(C)CC3)cc2)cc(C(=O)N2CCCC(C)C2)cc1-c1cc(F)cc(C(F)(F)F)c1,ONFXDEHMRPQDAY-UHFFFAOYSA-N
-rxn:5:190336:225978:227712,COc1c(-c2ccc(OC(F)F)c(F)c2)cc(C(=O)N2CCCC(C)C2)cc1-c1ccc(N2CCOCC2)nc1F,NIYRTVBSJHVKJJ-UHFFFAOYSA-N
-rxn:5:190337:227802:228018,COc1c(-c2cc(F)cc(C3CC3)c2)cc(C(=O)N2CCC(C)CC2)cc1-c1c(F)c(F)c(F)c(F)c1F,KGZHMFABVBLSON-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:5:190337:229054:222982,COCc1cc(-c2cc(C(=O)N3CCC(C)CC3)cc(-c3ccc(CN4CC[C@@H](O)C4)cc3)c2OC)cs1,AYTJHLYXSUYTAT-AREMUKBSSA-N
-rxn:5:190404:227447:226175,Cc1cc(N2CCCC2)ccc1-c1ccccc1C1CCN(C(=O)c2ccc(-c3c(F)ccc(C4CC4)c3F)o2)CCS1,JDRSTOIENQEAKQ-UHFFFAOYSA-N
-rxn:5:190484:223135:227543,COC(=O)c1cc(-c2ccccc2C2CCN(C(=O)c3cccc(-c4cccnc4C4CCCNC4)c3)CCS2(=O)=O)ccc1F,PSTVGRRINYEKQS-UHFFFAOYSA-N
-rxn:5:190484:225982:228268,CSc1c(-c2ccccc2C2CCN(C(=O)c3cccc(-c4cnc(N5CCOCC5)cc4F)c3)CCS2(=O)=O)ccc(C)c1F,VUPNFCLYCGDSAH-UHFFFAOYSA-N
-rxn:5:190484:227709:228385,Cc1cc(-c2ccccc2C2CCN(C(=O)c3cccc(-c4cccc(OC(F)(F)F)c4)c3)CCS2(=O)=O)ccc1[N+](=O)[O-],LYGMNQAMWAXEEC-UHFFFAOYSA-N
-rxn:5:190680:226761:225929,CSc1ccc(-c2ccc3c(c(OC(C)=O)cn3C(C)=O)c2-c2ccc(S(=O)(=O)N(C)C)c(C)c2)c(C(F)(F)F)c1,UGMNZFKQPWPRMM-UHFFFAOYSA-N
-rxn:5:190740:223061:225633,CCOC(=O)c1cnc2c(C)cc(-c3cc(C4CCNCC4)ncc3F)cc2c1-c1ccc(N2CCCCCC2)nc1,ZHYCJDMDFQOXFM-UHFFFAOYSA-N
-rxn:5:190740:225633:225834,CCOC(=O)c1cnc2c(C)cc(-c3ccc(N4CCCCCC4)nc3)cc2c1-c1cc(N2CCCCC2)ncc1F,JOVBUPNAFZQNHE-UHFFFAOYSA-N
-rxn:5:190740:225833:225980,CCOC(=O)c1cnc2c(C)cc(-c3ccnc(N4CCCCC4)c3F)cc2c1-c1cc(N2CCOCC2)ncc1F,NZVAKWZPCWHKLC-UHFFFAOYSA-N
-rxn:5:190740:225982:225784,CCOC(=O)c1cnc2c(C)cc(-c3cnc(N4CCOCC4)cc3F)cc2c1-c1ccc(CN2CCOCC2)nc1,QPSNSKLGULONDY-UHFFFAOYSA-N
-rxn:5:190741:223054:226438,CCOC(=O)c1cnc2c(-c3ccc(C(C)N4CCC(O)C4)s3)cc(C)cc2c1-c1cnc(C2CCCC2)cc1F,YQNIIZPUNFDWHL-UHFFFAOYSA-N
-rxn:5:190741:223056:223061,CCOC(=O)c1cnc2c(-c3ccc(N4CCC(O)CC4)nc3)cc(C)cc2c1-c1cc(C2CCNCC2)ncc1F,RIEGEMIFVCGHCE-UHFFFAOYSA-N
-rxn:5:190741:223056:225976,CCOC(=O)c1cnc2c(-c3ccc(N4CCC(O)CC4)nc3)cc(C)cc2c1-c1ccnc(N2CCOCC2)c1F,JQKBERYPWSSOGI-UHFFFAOYSA-N
-rxn:5:190741:223056:225980,CCOC(=O)c1cnc2c(-c3ccc(N4CCC(O)CC4)nc3)cc(C)cc2c1-c1cc(N2CCOCC2)ncc1F,SJYLGFXQMUXOJV-UHFFFAOYSA-N
-rxn:5:190741:223061:225784,CCOC(=O)c1cnc2c(-c3cc(C4CCNCC4)ncc3F)cc(C)cc2c1-c1ccc(CN2CCOCC2)nc1,GCBJCSGSHGBKKE-UHFFFAOYSA-N
-rxn:5:190741:225833:223065,CCOC(=O)c1cnc2c(-c3ccnc(N4CCCCC4)c3F)cc(C)cc2c1-c1ccc(N2CCNCC2)cc1F,BAUWMPMPNXUENE-UHFFFAOYSA-N
-rxn:5:190741:225834:225834,CCOC(=O)c1cnc2c(-c3cc(N4CCCCC4)ncc3F)cc(C)cc2c1-c1cc(N2CCCCC2)ncc1F,CTYNXCFVUIGKBF-UHFFFAOYSA-N
-rxn:5:190742:223006:225784,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(F)c(C4CCNCC4)c3)c2c1-c1ccc(CN2CCOCC2)nc1,KTDHIZWRTOOXCC-UHFFFAOYSA-N
-rxn:5:190742:223006:225976,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(F)c(C4CCNCC4)c3)c2c1-c1ccnc(N2CCOCC2)c1F,WIVVCMOFJQSKHZ-UHFFFAOYSA-N
-rxn:5:190742:223056:223062,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(N4CCC(O)CC4)nc3)c2c1-c1cnc(C2CCNCC2)cc1F,UGINLLGGEYOYEA-UHFFFAOYSA-N
-rxn:5:190742:225655:225849,CCOC(=O)c1cnc2c(C)ccc(-c3cncc(N4CCC(C)CC4)c3)c2c1-c1cnc(N2CCCCC2)cc1F,HYKFYCHZSVHZNI-UHFFFAOYSA-N
-rxn:5:190742:225784:223065,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(CN4CCOCC4)nc3)c2c1-c1ccc(N2CCNCC2)cc1F,IKPHMBKNTWSMAE-UHFFFAOYSA-N
-rxn:5:190742:225824:222983,CCOC(=O)c1cnc2c(C)ccc(-c3cc(C4CC4)cc(C(F)(F)F)c3)c2c1-c1cccc(CN2CCC(O)C2)c1,PQTWRFGKLKUSQK-UHFFFAOYSA-N
-rxn:5:190742:225833:223062,CCOC(=O)c1cnc2c(C)ccc(-c3ccnc(N4CCCCC4)c3F)c2c1-c1cnc(C2CCNCC2)cc1F,SNPZAQHNUSXJGS-UHFFFAOYSA-N
-rxn:5:190742:225834:225881,CCOC(=O)c1cnc2c(C)ccc(-c3cc(N4CCCCC4)ncc3F)c2c1-c1ccc(C2CCOCC2)nc1F,ZJQHOVWEPXXFPO-UHFFFAOYSA-N
-rxn:5:190742:225978:225976,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(N4CCOCC4)nc3F)c2c1-c1ccnc(N2CCOCC2)c1F,HHZLBCHRTMSIHJ-UHFFFAOYSA-N
-rxn:5:190742:225980:225655,CCOC(=O)c1cnc2c(C)ccc(-c3cc(N4CCOCC4)ncc3F)c2c1-c1cncc(N2CCC(C)CC2)c1,LBGZASFFMWOFKA-UHFFFAOYSA-N
-rxn:5:190743:223061:225656,CCOC(=O)c1cnc2c(C)c(-c3cc(C4CCNCC4)ncc3F)ccc2c1-c1cncc(N2CCCCC2C)c1,OIUBXXCDJHKZSD-UHFFFAOYSA-N
-rxn:5:190743:223064:225833,CCOC(=O)c1cnc2c(C)c(-c3ccc(C4CCNCC4)nc3F)ccc2c1-c1ccnc(N2CCCCC2)c1F,OLLRSEKZULHKTE-UHFFFAOYSA-N
-rxn:5:190743:225656:225976,CCOC(=O)c1cnc2c(C)c(-c3cncc(N4CCCCC4C)c3)ccc2c1-c1ccnc(N2CCOCC2)c1F,HTPHLUPGZKJRSI-UHFFFAOYSA-N
-rxn:5:190743:225849:225834,CCOC(=O)c1cnc2c(C)c(-c3cnc(N4CCCCC4)cc3F)ccc2c1-c1cc(N2CCCCC2)ncc1F,VFSQFJPMWGCKHR-UHFFFAOYSA-N
-rxn:5:190743:225982:225834,CCOC(=O)c1cnc2c(C)c(-c3cnc(N4CCOCC4)cc3F)ccc2c1-c1cc(N2CCCCC2)ncc1F,BBFWHGFVNUJSSW-UHFFFAOYSA-N
-rxn:5:190744:223056:225834,CCOC(=O)c1cnc2c(-c3ccc(N4CCC(O)CC4)nc3)c(C)ccc2c1-c1cc(N2CCCCC2)ncc1F,ODBPKMLMFYBYOY-UHFFFAOYSA-N
-rxn:5:190744:223062:225833,CCOC(=O)c1cnc2c(-c3cnc(C4CCNCC4)cc3F)c(C)ccc2c1-c1ccnc(N2CCCCC2)c1F,STDQNCBYBJDPKS-UHFFFAOYSA-N
-rxn:5:190744:225633:225849,CCOC(=O)c1cnc2c(-c3ccc(N4CCCCCC4)nc3)c(C)ccc2c1-c1cnc(N2CCCCC2)cc1F,ZXQWOBKLTHDWMK-UHFFFAOYSA-N
-rxn:5:190744:225655:225833,CCOC(=O)c1cnc2c(-c3cncc(N4CCC(C)CC4)c3)c(C)ccc2c1-c1ccnc(N2CCCCC2)c1F,DPIWEPZDWJZXAL-UHFFFAOYSA-N
-rxn:5:190744:225849:223064,CCOC(=O)c1cnc2c(-c3cnc(N4CCCCC4)cc3F)c(C)ccc2c1-c1ccc(C2CCNCC2)nc1F,ZDARRTNUWHXGGF-UHFFFAOYSA-N
-rxn:5:190744:225976:225784,CCOC(=O)c1cnc2c(-c3ccnc(N4CCOCC4)c3F)c(C)ccc2c1-c1ccc(CN2CCOCC2)nc1,ADRBQKCOFRZBDD-UHFFFAOYSA-N
-rxn:5:190744:225976:225834,CCOC(=O)c1cnc2c(-c3ccnc(N4CCOCC4)c3F)c(C)ccc2c1-c1cc(N2CCCCC2)ncc1F,RCGWDJNOXIIYDL-UHFFFAOYSA-N
-rxn:5:190744:225980:223061,CCOC(=O)c1cnc2c(-c3cc(N4CCOCC4)ncc3F)c(C)ccc2c1-c1cc(C2CCNCC2)ncc1F,SIYPXDKTYVWXCK-UHFFFAOYSA-N
-rxn:5:190744:225982:223064,CCOC(=O)c1cnc2c(-c3cnc(N4CCOCC4)cc3F)c(C)ccc2c1-c1ccc(C2CCNCC2)nc1F,FMUBKGHMIAXIPL-UHFFFAOYSA-N
-rxn:5:190797:225451:226150,CC(C)(C)OC(=O)n1ccc2c(-c3cccc(SC4CCCC4)c3)cc(-c3ccc(SC4CCCCC4)cc3)cc21,NRFNXXKBOKVUEU-UHFFFAOYSA-N
-rxn:5:190832:226679:225834,CCOC(=O)c1cnc2cc(C)c(-c3cnc(N4CCCC4)cc3F)c(C)c2c1-c1cc(N2CCCCC2)ncc1F,SRBAMNPHSCORRH-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:5:190833:227057:228112,COc1ccc(C#N)cc1-c1ccc(-c2cccc(OC)c2C2CC2)c2c1CN(C(=O)OC(C)(C)C)C2=O,OXXAUXNUMJPDPD-UHFFFAOYSA-N
-rxn:5:190859:226176:227047,CC(C)(C)OC(=O)N1CCc2c1ccc(-c1ccncc1C1CCCCC1)c2-c1cccc(SC2CCC2)c1,AYPZKYBFDXEXBY-UHFFFAOYSA-N
-rxn:5:190859:227045:226969,CC(C)(C)OC(=O)N1CCc2c1ccc(-c1cccc(SC(C)(C)C)c1)c2-c1ccc2c(c1)CCCC2=O,XBQMGIHQXJWHLU-UHFFFAOYSA-N
-rxn:5:190859:227371:227518,COc1ccc(-c2c(-c3ccc(C)c(OC)c3OC)ccc3c2CCN3C(=O)OC(C)(C)C)c(F)c1C#N,GTEZTGBWZDPWGQ-UHFFFAOYSA-N
-rxn:5:190993:225655:223006,CC1CCN(c2cncc(-c3ccc4c(c3)CN(CCc3ccc(-c5ccc(F)c(C6CCNCC6)c5)cc3)C(=O)CO4)c2)CC1,RQZUCNPGJXWJDB-UHFFFAOYSA-N
-rxn:5:190998:225446:228463,COC(=O)c1cc(-c2ccc(OC(F)F)nc2)ccc1N1Cc2cc(-c3cc(C)cc(OC4CCCC4)c3)ccc2OCC1=O,HUYBPOAGZSCWEZ-UHFFFAOYSA-N
-rxn:5:191026:223136:228207,COC(=O)C1=CN(c2ccc(C)c(-c3cc(C4CC4)cnc3F)c2)c2cc(-c3ccncc3C3CCCNC3)ccc2S1(=O)=O,OHQHQOZRXFCESK-UHFFFAOYSA-N
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-rxn:5:191026:227525:227817,CCc1cnc(C(F)F)cc1-c1ccc2c(c1)N(c1ccc(C)c(-c3ccccc3CC(C)C)c1)C=C(C(=O)OC)S2(=O)=O,JBLCCLDRAHDZMD-UHFFFAOYSA-N
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-rxn:5:193382:225925:225880,Cc1ccc(S(=O)(=O)N(C)C)cc1-c1ccc(S(=O)(=O)N2CCOCC2)c(-c2cc(C3CCOCC3)ncc2F)c1,VVYYGQYKHRTUHG-UHFFFAOYSA-N
-rxn:5:193382:225976:223001,O=S(=O)(c1ccc(-c2ccnc(N3CCOCC3)c2F)cc1-c1cc(C2CCCNC2)ccc1F)N1CCOCC1,FKMAHKAVLIQILX-UHFFFAOYSA-N
-rxn:5:193382:225978:225638,CC1CCN(c2ccc(-c3cc(-c4ccc(N5CCOCC5)nc4F)ccc3S(=O)(=O)N3CCOCC3)cn2)CC1,AQFZGXIXSRPOJA-UHFFFAOYSA-N
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-rxn:5:193382:227086:223148,O=S(=O)(c1ccc(-c2ccnc(C3CCCC3)c2)cc1-c1ccccc1C1CNCCO1)N1CCOCC1,WUTAJNQQFBIFBJ-UHFFFAOYSA-N
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-rxn:5:193382:227284:226662,CN1CCN(c2ccc(-c3cc(-c4cc(C#N)ncc4C4CC4)ccc3S(=O)(=O)N3CCOCC3)s2)CC1,DUVDKYZIHZKYRQ-UHFFFAOYSA-N
-rxn:5:193382:227376:226366,O=S(=O)(c1ccc(-c2cncc(N3CCCC3)c2)cc1-c1ccnc(N2CCCCC2)c1)N1CCOCC1,MGTMSDYTCSTIBM-UHFFFAOYSA-N
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-rxn:5:193382:228211:226335,N#Cc1cc(-c2cc(-c3cc(N4CCCC4)cs3)ccc2S(=O)(=O)N2CCOCC2)ccc1C1COC1,NXLMCIVPIIPOOS-UHFFFAOYSA-N
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-rxn:5:193459:227291:226661,CN(C)Cc1ccc(-c2cc(C(=O)N3CCCCC3)cc(-c3cc(N4CCN(C)CC4)cs3)c2)cc1F,UAJXHSNYMJHPIO-UHFFFAOYSA-N
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-rxn:5:193462:226661:227297,CN(C)Cc1ccc(F)c(-c2ccc(-c3cc(N4CCN(C)CC4)cs3)cc2CN2CCC(=O)CC2)c1,PZKYMSYECZQDCW-UHFFFAOYSA-N
-rxn:5:193462:226662:227303,CN(C)Cc1cccc(-c2ccc(-c3ccc(N4CCN(C)CC4)s3)cc2CN2CCC(=O)CC2)c1F,USOHVMFCZLFFIO-UHFFFAOYSA-N
-rxn:5:193462:226847:227767,CCn1cc(-c2ccc(-c3cc(C(F)(F)F)cnc3SC)cc2CN2CCC(=O)CC2)c(C(F)(F)F)n1,XWJLWRSNYJMPRE-UHFFFAOYSA-N
-rxn:5:193462:227023:226662,CC(c1ccc(-c2ccc(-c3ccc(N4CCN(C)CC4)s3)c(CN3CCC(=O)CC3)c2)cc1)N(C)C,MIMVYGCROYOLDP-UHFFFAOYSA-N
-rxn:5:193462:227024:226662,CC(c1cccc(-c2ccc(-c3ccc(N4CCN(C)CC4)s3)c(CN3CCC(=O)CC3)c2)c1)N(C)C,NEYAQMBITJGPLG-UHFFFAOYSA-N
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-rxn:5:193463:227438:222983,O=C1CCN(Cc2ccc(-c3ccnc(C4CCOC4)c3)cc2-c2cccc(CN3CCC(O)C3)c2)CC1,COSGMHQOPVUVJT-UHFFFAOYSA-N
-rxn:5:193469:226326:226146,C[C@@H]1CCCN1C(=O)c1ccc(-c2cccc(C3(C#N)CC3)c2F)cc1-c1ccc(SC2CCCC2)cc1,KRTQRXBXTKLXEU-JOCHJYFZSA-N
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-rxn:5:193681:225641:227710,CC1CCCN(c2cc(-c3ccc(-c4ccc(OS(C)(=O)=O)cc4)c(OC4CCN(C)CC4)c3)ccn2)C1,QWRLVINAPXTAHS-UHFFFAOYSA-N
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-rxn:5:193752:225601:226745,CCc1ncc(C(F)(F)F)cc1-c1cc(C(=O)N2CCCC(C)C2)ccc1-c1ccc(C2(C#N)CCC2)cc1F,VHAJCIAEDMSSEZ-UHFFFAOYSA-N
-rxn:5:193754:226183:225438,CC1CCN(C(=O)c2cccc(-c3cnccc3C3CCCCC3)c2-c2ccc(C(C)N3CCCC3)cc2)CC1,DUCSKYAHZOSYLT-UHFFFAOYSA-N
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-rxn:5:193756:225818:227512,COC(=O)c1cc(-c2cc(-c3ccc(C(F)(F)F)cc3C3CC3)ccc2C(=O)N2CCCCC2C)c(C)cn1,SQBRESQVHMWJDQ-UHFFFAOYSA-N
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-rxn:5:193756:226746:227702,CCc1cnc(C(F)(F)F)cc1-c1ccc(C(=O)N2CCCCC2C)c(-c2cc(C(=O)OC)cnc2F)c1,FCOXQKBOTCVQCZ-UHFFFAOYSA-N
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-rxn:5:193756:227387:226338,CC1CCCCN1C(=O)c1ccc(-c2ccnc(N3CCCC3)c2)cc1-c1ccnc(OC2CCCC2)c1,AKTOYWYCBSZGOX-UHFFFAOYSA-N
-rxn:5:193756:227512:225600,COC(=O)c1cc(-c2ccc(C(=O)N3CCCCC3C)c(-c3cccnc3OC3CCCCC3)c2)c(C)cn1,SWMOTGZIMCCQQK-UHFFFAOYSA-N
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-rxn:5:193756:228236:225818,CC1CCCCN1C(=O)c1ccc(-c2ccnc(F)c2C2CC2)cc1-c1ccc(C(F)(F)F)cc1C1CC1,XFSWAMLHEYLBFH-UHFFFAOYSA-N
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-rxn:5:193808:225980:225879,CC1CCN(Cc2cc(-c3cc(N4CCOCC4)ncc3F)ccc2-c2ccc(N3CCOCC3)cc2F)CC1,XEOIGVJOWHAMEG-UHFFFAOYSA-N
-rxn:5:193867:226349:228177,COCc1ccc(F)cc1-c1cc(-c2cc(F)cc(OC(C)(C)C)c2)cc(C2(N3CCC(=O)CC3)CC2)c1,PFHJLHZTQHWJNA-UHFFFAOYSA-N
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-rxn:5:193870:227535:222981,CCOc1cc(F)c(F)cc1-c1cc(-c2ccnc(NC3CCCCC3)c2)c(S(=O)(=O)N2CCCCC2)cc1C,RWEBFKARQNUWHC-UHFFFAOYSA-N
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-rxn:5:193871:227316:227562,COc1ccc(F)c(-c2ccc(C(=O)N3CCC4(CC3)CC4)cc2-c2cc(F)nc(CC(C)C)c2)c1OC,BHDIDRQIZRTQDL-UHFFFAOYSA-N
-rxn:5:193912:223004:226827,Cc1c(C(F)(F)F)ccc(-c2ccc(C3C(=O)N(c4ccc(-c5ccc(C6CCNCC6)c(F)c5)cc4)C(=O)CS3=O)cc2)c1F,WANHIIWNKVZNRN-UHFFFAOYSA-N
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-rxn:5:193932:225886:226067,CC1CC(C)CN(C(=O)c2ccc(-c3ccc(C4=CCCCC4)cc3)c(-c3ccc4c(ccn4S(C)(=O)=O)c3)c2)C1,NGQATUVCFZOTPV-UHFFFAOYSA-N
-rxn:5:193967:228682:222989,CCCc1ncncc1-c1ccc(CN2CCC3(CC2)OCCO3)c(-c2ccc(N3CCNCC3)cc2C)c1,WQESRFNXFFYPRD-UHFFFAOYSA-N
-rxn:5:193968:223239:227778,O=[N+]([O-])c1c(F)cc(F)cc1-c1ccc(-c2cncc(C3CCCN3)c2)cc1CN1CCC2(CC1)OCCO2,WFZHOBVFMWRWMT-UHFFFAOYSA-N
-rxn:5:193968:225597:225807,COc1cc(-c2cncs2)cc(-c2ccc(-c3ccc(OC4CCCCC4)nc3)cc2CN2CCC3(CC2)OCCO3)c1,XOWKUAHYVUQGDZ-UHFFFAOYSA-N
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-rxn:5:194561:225976:225805,CC(c1ccc(-c2ccc(-c3ccnc(N4CCOCC4)c3F)cc2C(=O)N2C3CCC2COC3)s1)N1CCOCC1,JLLAOGXYDVSEDW-UHFFFAOYSA-N
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-rxn:5:194767:223140:227437,O=C1OC2(CCCN(C(=O)c3cc(-c4ccnc(C5CCCNC5)c4)ccc3-c3ccnc(C4CCCO4)c3)C2)c2ccccc21,ARTZZCHJHHJHKK-UHFFFAOYSA-N
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-rxn:5:194767:226395:226644,O=C1OC2(CCCN(C(=O)c3cc(-c4cncc(N5CCCCC5)c4)ccc3-c3cncc(N4CCOCC4)c3)C2)c2ccccc21,RZYSBCRXHGCLHV-UHFFFAOYSA-N
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-rxn:5:194792:225588:222959,Cc1cc(-c2ccc(N3C(=O)C4C(c5ccc(-c6ccccc6CN6CCSCC6)cc5)OC5(C(=O)c6ccccc6C5=O)C4C3=O)cc2)ccc1C1CCNCC1,KTHJCUXCPVXDGL-UHFFFAOYSA-N
-rxn:5:196198:226658:223007,O=C1C=CC(=O)N1c1ccc(-c2ccc(N3CCCC3)nc2F)c(-c2cc(F)cc(C3CCNCC3)c2)c1,RASWZKJXCRTSOF-UHFFFAOYSA-N
-rxn:5:196408:223007:225507,COC(=O)C1CCc2cc(-c3ccc(C4=NOCCO4)c(-c4cc(F)cc(C5CCNCC5)c4)c3)ccc21,DSOBXVMOAWCCMO-UHFFFAOYSA-N
-rxn:5:196408:225832:223136,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2ccncc2C2CCCNC2)ccc1C1=NOCCO1,BZMVMDZKXITMON-UHFFFAOYSA-N
-rxn:5:196533:225453:226763,COC(=O)c1c(F)cc(C2CC(=O)N(c3ccc(-c4cccc(SC5CCCCC5)c4)cc3)C2=O)cc1F,JXKGEAMLRBEGMM-UHFFFAOYSA-N
-rxn:5:196789:225605:226331,Cc1cnc(OC2CCCC2)c(-c2ccc(N3CCOCC3=O)c(-c3ccc(C4(C#N)CC4)cc3F)c2)c1,PDMPSCCDIOSNRF-UHFFFAOYSA-N
-rxn:5:196789:226875:222994,O=C1COCCN1c1ccc(-c2cc(F)c(OC(F)F)cc2F)cc1-c1cccc(N2CCC(O)CC2)c1,XTSBOUOVJTUEGH-UHFFFAOYSA-N
-rxn:5:196792:225683:226452,Cc1nc(C2CCCOC2)ccc1-c1ccc(-c2ccc(C3OCCCO3)cc2)cc1N1CCOCC1=O,IUWBURCNUWJFKH-UHFFFAOYSA-N
-rxn:5:196794:223064:225834,O=C1COCCN1c1cc(-c2ccc(C3CCNCC3)nc2F)ccc1-c1cc(N2CCCCC2)ncc1F,JRPCUFMDPRCMHX-UHFFFAOYSA-N
-rxn:5:196794:223065:225655,CC1CCN(c2cncc(-c3ccc(-c4ccc(N5CCNCC5)cc4F)cc3N3CCOCC3=O)c2)CC1,OJOIXHODQFDUPV-UHFFFAOYSA-N
-rxn:5:196794:223139:226583,O=C1COCCN1c1cc(-c2ccc(C3CCNCC3)nc2)ccc1-c1ccc(CN2CCOCC2)s1,RHAILSZDNDLKIK-UHFFFAOYSA-N
-rxn:5:196794:225976:226583,O=C1COCCN1c1cc(-c2ccnc(N3CCOCC3)c2F)ccc1-c1ccc(CN2CCOCC2)s1,RWTUNJHDPDRUIY-UHFFFAOYSA-N
-rxn:5:196917:226598:225831,Cc1cc(-c2ccc(-c3cc(OC(C)C)c(F)cc3F)c(C3=NC(C)(C)CO3)c2)cnc1N1CCOCC1,ROPJUERUTKKRCK-UHFFFAOYSA-N
-rxn:5:196969:226686:225407,Cc1cnn(C2CCCCO2)c1-c1cnc(C2CCCCC2)cc1-c1ccc(C2CCCCCC2)cc1,DNLJKPURNJHWBP-UHFFFAOYSA-N
-rxn:5:196970:225832:223131,Cc1nn(C2CCCCO2)c(C)c1-c1c(C2CCCCC2)ccnc1-c1ccc(N2CCNCC2)cc1,BRMLJGJHHRZCPB-UHFFFAOYSA-N
-rxn:5:196977:225832:226064,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(N2CCCCC2)cc1-c1ccc(C2CCCCC2)cc1,XGSSFJWUOGPTBC-UHFFFAOYSA-N
-rxn:5:197169:223058:225507,COC(=O)C1CCc2cc(-c3cc4c(c(-c5cc(F)nc(C6CCCNC6)c5)c3)OCC(C#N)=C4)ccc21,GUUIQQVAFZDYLH-UHFFFAOYSA-N
-rxn:5:197169:223063:225507,COC(=O)C1CCc2cc(-c3cc4c(c(-c5cc(F)nc(C6CCNCC6)c5)c3)OCC(C#N)=C4)ccc21,WOIFJODTEDJVSP-UHFFFAOYSA-N
-rxn:5:197169:223064:225507,COC(=O)C1CCc2cc(-c3cc4c(c(-c5ccc(C6CCNCC6)nc5F)c3)OCC(C#N)=C4)ccc21,CJZSVYFSUFHTTK-UHFFFAOYSA-N
-rxn:5:197169:225831:225926,Cc1cc(-c2cc(-c3ccc(S(=O)(=O)N4CCC4)cc3)cc3c2OCC(C#N)=C3)cnc1N1CCOCC1,JQASKEISPYXFPP-UHFFFAOYSA-N
-rxn:5:197169:225926:225634,Cc1cc(-c2cc3c(c(-c4ccc(S(=O)(=O)N5CCC5)cc4)c2)OCC(C#N)=C3)cnc1N1CCCCC1,OAHRGRSUXDSEFD-UHFFFAOYSA-N
-rxn:5:197876:223113:227926,CC(C)Sc1ccc(-c2cc3c(cc2-c2ccc4c(c2)C(C)(C)C(=O)N4)S(=O)(=O)N(C(C)(C)C)C3=O)cc1,IIHBFFAKHXTYHL-UHFFFAOYSA-N
-rxn:5:197876:223113:228563,CC(C)Cc1csc(-c2cc3c(cc2-c2ccc4c(c2)C(C)(C)C(=O)N4)S(=O)(=O)N(C(C)(C)C)C3=O)c1,PHBUUJUFQVFSOS-UHFFFAOYSA-N
-rxn:5:197876:223183:225887,CNS(=O)(=O)c1ccc(-c2cc3c(cc2-c2cc4cccc(C(F)(F)F)c4s2)C(=O)N(C(C)(C)C)S3(=O)=O)c(C)c1,QROUFJXOKLYBTN-UHFFFAOYSA-N
-rxn:5:197876:223191:226062,CNS(=O)(=O)c1ccc(-c2cc3c(cc2-c2cc(C(C)C)cc(C(C)C)c2)C(=O)N(C(C)(C)C)S3(=O)=O)cc1F,SSBLIUMBULZKIL-UHFFFAOYSA-N
-rxn:5:197876:225440:227102,CC(C)(C)c1ccc(F)c(-c2cc3c(cc2-c2ccc(C4(C#N)CCCC4)cc2)S(=O)(=O)N(C(C)(C)C)C3=O)c1,YMTIYGABUDZJOD-UHFFFAOYSA-N
-rxn:5:197876:225450:228620,CSc1ccc(-c2cc3c(cc2-c2ccc(C(=O)C4CCCC4)cc2)S(=O)(=O)N(C(C)(C)C)C3=O)cc1C,AYNMRMWKUACKQY-UHFFFAOYSA-N
-rxn:5:197876:225498:228505,CCCc1ccc(-c2cc3c(cc2-c2cc(C4CCCCC4)ccc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1,OBUBLAAVUXYZJH-UHFFFAOYSA-N
-rxn:5:197876:225601:228550,CCCc1cc(-c2cc3c(cc2-c2ccc(C4(C#N)CCC4)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)ccn1,HFOGICLQOXYTIR-UHFFFAOYSA-N
-rxn:5:197876:225602:227023,CC(c1ccc(-c2cc3c(cc2-c2cc(C4(C#N)CCC4)ccc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1)N(C)C,WRWSEXJBOUOHLG-UHFFFAOYSA-N
-rxn:5:197876:225602:227860,CN1CCc2cc(-c3cc4c(cc3-c3cc(C5(C#N)CCC5)ccc3F)S(=O)(=O)N(C(C)(C)C)C4=O)ccc21,UXQGOKBBGIJRDY-UHFFFAOYSA-N
-rxn:5:197876:225602:228383,Cc1cc(-c2cc3c(cc2-c2cc(C4(C#N)CCC4)ccc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cnc1C(F)F,CTSAVANWKNLKNE-UHFFFAOYSA-N
-rxn:5:197876:225602:228763,CCc1c(F)cncc1-c1cc2c(cc1-c1cc(C3(C#N)CCC3)ccc1F)S(=O)(=O)N(C(C)(C)C)C2=O,PLMPOVURVDWWMJ-UHFFFAOYSA-N
-rxn:5:197876:225603:228102,CC(C)Cc1ncncc1-c1cc2c(cc1-c1cccc(C3(C#N)CCC3)c1F)S(=O)(=O)N(C(C)(C)C)C2=O,OWXPKBXUYBDHFP-UHFFFAOYSA-N
-rxn:5:197876:225603:228383,Cc1cc(-c2cc3c(cc2-c2cccc(C4(C#N)CCC4)c2F)S(=O)(=O)N(C(C)(C)C)C3=O)cnc1C(F)F,AMXQEVPIXZCROH-UHFFFAOYSA-N
-rxn:5:197876:225677:229010,CC(C)c1csc(-c2cc3c(cc2-c2ccc(C4CCCCC4)nc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,MJHWERPIAIZGGR-UHFFFAOYSA-N
-rxn:5:197876:225703:226745,CCc1ncc(C(F)(F)F)cc1-c1cc2c(cc1-c1ccc3sc(C(=O)OC)cc3c1)S(=O)(=O)N(C(C)(C)C)C2=O,HFZPWKKHZDTTBC-UHFFFAOYSA-N
-rxn:5:197876:225815:228003,CSc1cc(C)c(-c2cc3c(cc2-c2ccc(C4CC4)cc2C(F)(F)F)S(=O)(=O)N(C(C)(C)C)C3=O)c(C)c1,VEYADUAQSDZRTD-UHFFFAOYSA-N
-rxn:5:197876:225816:228566,CC(C)Cc1sccc1-c1cc2c(cc1-c1cc(C3CC3)ccc1C(F)(F)F)S(=O)(=O)N(C(C)(C)C)C2=O,ROZNEFMIMUADAE-UHFFFAOYSA-N
-rxn:5:197876:225820:227989,CC#Cc1ccc(F)c(-c2cc3c(cc2-c2c(C4CC4)cccc2C(F)(F)F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,KQEWELQWNJEHKJ-UHFFFAOYSA-N
-rxn:5:197876:225823:228631,CC(C)c1cc(-c2cc3c(cc2-c2ccsc2C2CCC2)C(=O)N(C(C)(C)C)S3(=O)=O)cc(C(F)(F)F)c1,LEZPWXYIUSUOMV-UHFFFAOYSA-N
-rxn:5:197876:225823:228906,CC(C)c1cc(-c2cc3c(cc2-c2ccnc(C(F)F)c2)C(=O)N(C(C)(C)C)S3(=O)=O)cc(C(F)(F)F)c1,HYFSPHNVJFKELT-UHFFFAOYSA-N
-rxn:5:197876:225939:227045,CC(C)c1cc(-c2cc3c(cc2-c2cccc(SC(C)(C)C)c2)C(=O)N(C(C)(C)C)S3(=O)=O)cnc1C(F)(F)F,CQMFGXZOCQPYNI-UHFFFAOYSA-N
-rxn:5:197876:226031:227040,Cc1ccc(OC(C)C)c(-c2cc3c(cc2-c2ccc(C(F)(F)F)cc2C(F)F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,ISYLKSITTZFXKL-UHFFFAOYSA-N
-rxn:5:197876:226031:228103,CC(C)Cc1ncc(-c2cc3c(cc2-c2ccc(C(F)(F)F)cc2C(F)F)S(=O)(=O)N(C(C)(C)C)C3=O)cn1,GRMDXFVGECJDTL-UHFFFAOYSA-N
-rxn:5:197876:226037:228567,CCC(C)c1sccc1-c1cc2c(cc1-c1ccc(C(F)(F)F)c(OC)c1F)S(=O)(=O)N(C(C)(C)C)C2=O,YOBLEBHUVUKURW-UHFFFAOYSA-N
-rxn:5:197876:226062:227039,CC(C)c1cc(-c2cc3c(cc2-c2ccc(OC(C)(C)C)cc2)C(=O)N(C(C)(C)C)S3(=O)=O)cc(C(C)C)c1,QWRVEURXISEMCT-UHFFFAOYSA-N
-rxn:5:197876:226067:227822,Cc1cccc(C(C)C)c1-c1cc2c(cc1-c1ccc(C3=CCCCC3)cc1)S(=O)(=O)N(C(C)(C)C)C2=O,RGDLTUCPQBUTBG-UHFFFAOYSA-N
-rxn:5:197876:226068:228020,Cc1cc(C(C)(C)C)cc(C)c1-c1cc2c(cc1-c1c(F)cccc1C1CC1)C(=O)N(C(C)(C)C)S2(=O)=O,XWPLWUANIWHYLH-UHFFFAOYSA-N
-rxn:5:197876:226068:228342,Cc1cc(C(C)(C)C)cc(C)c1-c1cc2c(cc1-c1cccc(OC(F)F)c1)C(=O)N(C(C)(C)C)S2(=O)=O,CLGZZJLVTURVSK-UHFFFAOYSA-N
-rxn:5:197876:226151:228182,Cc1cc(OC(C)C)c(-c2cc3c(cc2-c2cccc(CC(F)F)c2)C(=O)N(C(C)(C)C)S3(=O)=O)cc1C,DBHALWAWLLBLHV-UHFFFAOYSA-N
-rxn:5:197876:226154:228971,COc1cc(C(C)(C)C)ccc1-c1cc2c(cc1-c1csc(C(F)(F)F)c1)C(=O)N(C(C)(C)C)S2(=O)=O,CAMGAWCAXZDNJI-UHFFFAOYSA-N
-rxn:5:197876:226190:227819,CCc1cc(CC)cc(-c2cc3c(cc2-c2ccc(C4CCCC4)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,WXWHPGUEPCVJLE-UHFFFAOYSA-N
-rxn:5:197876:226190:227925,CC(C)Oc1cccc(-c2cc3c(cc2-c2ccc(C4CCCC4)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,OYEIFWPGPKMZDY-UHFFFAOYSA-N
-rxn:5:197876:226191:225506,CC(C)Cn1ncc2cc(-c3cc4c(cc3-c3cc(C5CCCC5)ccc3F)S(=O)(=O)N(C(C)(C)C)C4=O)ccc21,ULNPSWANTHYPEO-UHFFFAOYSA-N
-rxn:5:197876:226325:227079,CC(C)Cc1ccc(F)c(-c2cc3c(cc2-c2ccc(C(C)(C)C#N)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,RISRZLDFQIGBDJ-UHFFFAOYSA-N
-rxn:5:197876:226328:228447,CC(C)(C#N)c1ccc(-c2cc3c(cc2-c2cccc(C(F)F)c2F)C(=O)N(C(C)(C)C)S3(=O)=O)cc1F,MXUNENLVUIAVGE-UHFFFAOYSA-N
-rxn:5:197876:226331:227940,CCc1cc(SC)cc(-c2cc3c(cc2-c2ccc(C4(C#N)CC4)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,PBGXYMVIODWXOT-UHFFFAOYSA-N
-rxn:5:197876:226346:227863,Cc1cc(OC(C)C)c(F)c(-c2cc3c(cc2-c2ccc4c(c2)CCCO4)C(=O)N(C(C)(C)C)S3(=O)=O)c1,XHBAHKSRZMGVMT-UHFFFAOYSA-N
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-rxn:5:197876:226922:227079,Cc1cc(C2CC2)cc(C)c1-c1cc2c(cc1-c1cc(CC(C)C)ccc1F)C(=O)N(C(C)(C)C)S2(=O)=O,KMRFBHGXRRPEPW-UHFFFAOYSA-N
-rxn:5:197876:226926:225603,Cc1cc(C(C)(C)C)ccc1-c1cc2c(cc1-c1cccc(C3(C#N)CCC3)c1F)C(=O)N(C(C)(C)C)S2(=O)=O,DQENXLKMGGFADL-UHFFFAOYSA-N
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-rxn:5:197876:226959:227301,CN(C)Cc1cc(F)ccc1-c1cc2c(cc1-c1ccc3c(c1)CC(C)(C)O3)S(=O)(=O)N(C(C)(C)C)C2=O,MRILERKDPCIVQL-UHFFFAOYSA-N
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-rxn:5:197876:226974:227735,Cc1ncc(-c2cc3c(cc2-c2ccc4c(c2)COC4(C)C)S(=O)(=O)N(C(C)(C)C)C3=O)cc1C(F)(F)F,BNNORWPPVFEGNA-UHFFFAOYSA-N
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-rxn:5:197876:227052:226750,COc1ccc(C(F)(F)F)cc1-c1cc2c(cc1-c1ccc(SC(C)(C)C)cc1)S(=O)(=O)N(C(C)(C)C)C2=O,CNJSUHDJOCBXDB-UHFFFAOYSA-N
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-rxn:5:197876:227079:226154,COc1cc(C(C)(C)C)ccc1-c1cc2c(cc1-c1cc(CC(C)C)ccc1F)S(=O)(=O)N(C(C)(C)C)C2=O,VEBMXGVBGMHXOF-UHFFFAOYSA-N
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-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:5:197876:227108:226946,CN1CCc2cc(-c3cc4c(cc3-c3cc(C5CCC5)ccc3F)S(=O)(=O)N(C(C)(C)C)C4=O)ccc2C1,KTCSWHCRVSGWPX-UHFFFAOYSA-N
-rxn:5:197876:227115:227589,Cc1cc(OC(F)F)cc(-c2cc3c(cc2-c2cc(C)c(C4CC4)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,RNICVFPXUBDXBM-UHFFFAOYSA-N
-rxn:5:197876:227120:226449,CC1(c2ccccc2-c2cc3c(cc2-c2ccc(C4CCC4)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)OCCO1,DOANKCAXENXBLR-UHFFFAOYSA-N
-rxn:5:197876:227120:227525,CCc1cnc(C(F)F)cc1-c1cc2c(cc1-c1ccc(C3CCC3)cc1F)S(=O)(=O)N(C(C)(C)C)C2=O,JGIXJELXKGUNEF-UHFFFAOYSA-N
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-rxn:5:197876:227124:227320,COc1cccc(N(C)C)c1-c1cc2c(cc1-c1ccc(C(C)(C)C)cc1F)S(=O)(=O)N(C(C)(C)C)C2=O,LWVGCAKYNWZKGZ-UHFFFAOYSA-N
-rxn:5:197876:227309:227124,CCC(C)c1cc(-c2cc3c(cc2-c2ccc(C(C)(C)C)cc2F)C(=O)N(C(C)(C)C)S3(=O)=O)cc(F)n1,GTZGIWZHOWYGBX-UHFFFAOYSA-N
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-rxn:5:197876:227315:227713,CC(C)Cc1cc(F)c(-c2cc3c(cc2-c2cc(F)ccc2OC(F)F)C(=O)N(C(C)(C)C)S3(=O)=O)cn1,FEVUHGSOSVBCMQ-UHFFFAOYSA-N
-rxn:5:197876:227316:227673,CC(C)Cc1cc(-c2cc3c(cc2-c2cccc(C(C)(F)F)c2F)C(=O)N(C(C)(C)C)S3(=O)=O)cc(F)n1,IUKWPCUFJGDFBU-UHFFFAOYSA-N
-rxn:5:197876:227319:227106,Cc1cc(F)c(-c2cc3c(cc2-c2cc(CC(C)C)ncc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1C1CC1,JIELGTSSEAORNU-UHFFFAOYSA-N
-rxn:5:197876:227345:227312,CCC(C)c1ccc(-c2cc3c(cc2-c2ccc(OC(C)C)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c(F)n1,VOSVYHYBAWQLHU-UHFFFAOYSA-N
-rxn:5:197876:227408:226132,Cc1cc(C2(C#N)CC2)ccc1-c1cc2c(cc1-c1cc(C3CCC3)ncc1F)S(=O)(=O)N(C(C)(C)C)C2=O,HWDAJTBNWFMCFM-UHFFFAOYSA-N
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-rxn:5:197876:227409:227088,Cc1cc(-c2cc3c(cc2-c2cc(C(C)(C)C)ncc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc(C(C)(C)C)n1,BGWITCAOBPPWMW-UHFFFAOYSA-N
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-rxn:5:197876:227413:227671,Cc1cccc(C(F)(F)F)c1-c1cc2c(cc1-c1cnc(C3CCC3)cc1F)S(=O)(=O)N(C(C)(C)C)C2=O,XVANYJFSQSDCFS-UHFFFAOYSA-N
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-rxn:5:197876:227415:227735,Cc1ncc(-c2cc3c(cc2-c2ccc(C(C)(C)C)nc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1C(F)(F)F,FUSKJNODDGOJPB-UHFFFAOYSA-N
-rxn:5:197876:227419:227079,CC(C)Cc1ccc(F)c(-c2cc3c(cc2-c2ccc(C4CCC4)nc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,FOAAQAGHJXKWPU-UHFFFAOYSA-N
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-rxn:5:197876:227711:226912,Cc1cc(CC(C)C)cc(-c2cc3c(cc2-c2ccc(F)c(OC(F)F)c2)S(=O)(=O)N(C(C)(C)C)C3=O)c1,ZVABDVNJFLKLQM-UHFFFAOYSA-N
-rxn:5:197876:227713:223259,CC(=O)Nc1cc(C)c(-c2cc3c(cc2-c2cc(F)ccc2OC(F)F)S(=O)(=O)N(C(C)(C)C)C3=O)cn1,DOVSEGVLXZKRKH-UHFFFAOYSA-N
-rxn:5:197876:227713:227289,CC(C)(C)Oc1ncccc1-c1cc2c(cc1-c1cc(F)ccc1OC(F)F)S(=O)(=O)N(C(C)(C)C)C2=O,NKFFEKBDENBANP-UHFFFAOYSA-N
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-rxn:5:197876:227718:226062,CC(C)c1cc(-c2cc3c(cc2-c2ccc(OC(F)F)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc(C(C)C)c1,ZHDMDALEGUBFIU-UHFFFAOYSA-N
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-rxn:5:197876:227724:227523,COC(=O)c1cnc(C)cc1-c1cc2c(cc1-c1cc(OC(F)F)ccc1F)S(=O)(=O)N(C(C)(C)C)C2=O,IUNKNNBCMVRXIR-UHFFFAOYSA-N
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-rxn:4:185155:224619,COC(=O)c1ccc(-c2ccc(OCCN3CCCC3)c(F)c2)cc1CN1CCC(C(F)(F)F)CC1,JKMCBGXEHUBOOV-UHFFFAOYSA-N
-rxn:4:185155:225009,COC(=O)c1ccc(-c2cc(C)cnc2OC2CCCCC2)cc1CN1CCC(C(F)(F)F)CC1,COAAGFZGEIUKDZ-UHFFFAOYSA-N
-rxn:4:185158:226488,COC(=O)c1cc(CN2CCC(C(F)(F)F)CC2)cc(-c2ccc(OCCCF)c(F)c2)c1,HSABPOHPWPGMOC-UHFFFAOYSA-N
-rxn:4:185161:223084,CC(C)(C)OC(=O)N1CC(c2ccc(C(F)(F)F)cc2-c2cnc(N3CCC(O)CC3)nc2)C1,VJYUISBLFGXQTC-UHFFFAOYSA-N
-rxn:4:185161:224356,CC(C)(C)OC(=O)N1CC(c2ccc(C(F)(F)F)cc2-c2cc3sc(Cl)cc3n2C(=O)OC(C)(C)C)C1,CLFKDWSKTAAORX-UHFFFAOYSA-N
-rxn:4:185165:223592,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc(C(F)(F)F)c(C4CN(C(=O)OC(C)(C)C)C4)c3)c(Cl)c2)CC1,IMCVBPBEBMNOIL-UHFFFAOYSA-N
-rxn:4:185165:223883,CC(C)(C)OC(=O)N1CC(c2cc(-c3ccc4c(c3)CCCN4C(=O)OC(C)(C)C)ccc2C(F)(F)F)C1,RSQGOXDIUVJSMY-UHFFFAOYSA-N
-rxn:4:185165:224279,CC(C)(C)OC(=O)N1CC(c2cc(-c3ccc4c(c3)ncn4C(=O)OC(C)(C)C)ccc2C(F)(F)F)C1,HFLTYUQQGSZAMR-UHFFFAOYSA-N
-rxn:4:185199:225061,COC(=O)c1cc(CN2CCC(OC)CC2)cc(-c2ccc(N3CCC(C)CC3)cc2F)c1,SDGZOFZNRUKYNG-UHFFFAOYSA-N
-rxn:4:185200:224587,COC(=O)c1ccc(-c2ccc(CN3CCC(C)CC3)c(F)c2)c(CN2CCC(OC)CC2)c1,XNFRQIWVFZBHEX-UHFFFAOYSA-N
-rxn:4:185200:224884,COC(=O)c1ccc(-c2cccc(CN3CCC(C)CC3)c2)c(CN2CCC(OC)CC2)c1,CVLNXSGQPLVYEV-UHFFFAOYSA-N
-rxn:4:185201:222787,COc1cc(C2CN(C(=O)OC(C)(C)C)C2)ccc1-c1ccc(NC(=O)OC(C)(C)C)cc1Cl,CSDWRSOBSVBEFV-UHFFFAOYSA-N
-rxn:4:185201:223975,COc1cc(C2CN(C(=O)OC(C)(C)C)C2)ccc1-c1cn(C(=O)OC(C)(C)C)c2ccc(Cl)nc12,NAULDEDXZDSOAH-UHFFFAOYSA-N
-rxn:4:185243:222647,Cc1cc(-c2ccc(C(=O)N(CC(C)C)C3CCS(=O)(=O)C3)cc2)c(C)cc1NC(=O)OC(C)(C)C,FYWQEEBZGHTXEX-UHFFFAOYSA-N
-rxn:4:185259:225801,CC(C)c1ccc(OCC(=O)N2CCCCC2)c(-c2ccnc(OC3CCCC3)c2Cl)c1,LEVPQRVBYIBDFH-UHFFFAOYSA-N
-rxn:4:185266:226745,CCc1ncc(C(F)(F)F)cc1-c1ccc(S(=O)(=O)N(CC(C)C)C2CCS(=O)(=O)C2)cc1,MDMWCPNTYWAFMC-UHFFFAOYSA-N
-rxn:4:185268:223889,CC(C)(C)OC(=O)N1CCc2cccc(-c3cccc(S(=O)(=O)C4CCN(C(=O)OC(C)(C)C)C4)c3)c2C1,OJIZOUKVWXALOM-UHFFFAOYSA-N
-rxn:4:185270:225218,CC1CCCN(c2ncc(-c3ccc(C4CCN(C(=O)OC(C)(C)C)C4)c(C(F)(F)F)c3)cc2Cl)C1,IWBDELSZMHMLEP-UHFFFAOYSA-N
-rxn:4:185301:224937,CCOC(=O)C1(c2ccc(-c3ccc(C)c(OCCCN4CCC(C)CC4)c3)cc2)CC1,USOGVJHEYLFUHX-UHFFFAOYSA-N
-rxn:4:185307:222537,CCCOc1cc(S(=O)(=O)N2CCCC(C)C2)ccc1-c1cc(C2CCCC2)nc(C2CCCNC2)c1,RMVZVQASZPADHR-UHFFFAOYSA-N
-rxn:4:185307:224322,CCCOc1cc(S(=O)(=O)N2CCCC(C)C2)ccc1-c1ccc(S(=O)(=O)N2CCC(C)CC2)cc1,RHEPSOTUYPVVNV-UHFFFAOYSA-N
-rxn:4:185307:224374,CCCOc1cc(S(=O)(=O)N2CCCC(C)C2)ccc1-c1cc(S(=O)(=O)N2CCCC2)ccc1OC,HSQJMQKKEBWQLR-UHFFFAOYSA-N
-rxn:4:185307:225825,CCCOc1cc(S(=O)(=O)N2CCCC(C)C2)ccc1-c1ccc(N2CCN(C)CC2)nc1,GQHHBODKQICILK-UHFFFAOYSA-N
-rxn:4:185315:222639,C[C@H](NC(=O)OC(C)(C)C)c1ccc(-c2ccc(C3CC3)c(C3CN(C(=O)OC(C)(C)C)C3)c2)cc1,ATFIBDYMQMISFS-IBGZPJMESA-N
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-rxn:4:185352:224863,CC(C)N(Cc1ccccc1-c1ccc(C(=O)C2CCN(C(=O)OC(C)(C)C)CC2)cc1)C(C)C,GOHYIHPZDPOKGB-UHFFFAOYSA-N
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-rxn:4:185367:224616,CC1CCN(C(=O)COc2ccc(C(C)C)cc2-c2ccccc2OCCN2CCOCC2)CC1,CMTKOFBHESDTNX-UHFFFAOYSA-N
-rxn:4:185367:225656,CC1CCN(C(=O)COc2ccc(C(C)C)cc2-c2cncc(N3CCCCC3C)c2)CC1,NTMJGJYKJJOWDU-UHFFFAOYSA-N
-rxn:4:185376:228967,CC(C)CS(=O)(=O)C1CCCN(S(=O)(=O)c2ccccc2-c2cn(C)nc2C(F)F)C1,LPDKJGBKOVTAQH-UHFFFAOYSA-N
-rxn:4:185379:223596,CC(C)(C)OC(=O)N1CCC(C(F)(F)c2cccc(-c3ccc(Cl)cc3N3CCN(C(=O)OC(C)(C)C)CC3)c2)CC1,LSNZWVMIYWGRLY-UHFFFAOYSA-N
-rxn:4:185381:223935,CC(C)(C)OC(=O)N1CCCC(c2cc(-c3cc4cccc(F)c4n3C(=O)OC(C)(C)C)cc(C(F)(F)F)c2)C1,MOSBIBHIRUJKNC-UHFFFAOYSA-N
-rxn:4:185384:222700,CC(C)(C)OC(=O)N1CCCC(c2cc(C(F)(F)F)ccc2-c2ccc(C(F)(F)F)cc2C2CCCNC2)C1,ZWVWBKGNRFMDBH-UHFFFAOYSA-N
-rxn:4:185385:223937,CC(C)(C)OC(=O)N1CCC(c2ccc(C(F)(F)F)c(-c3cc4cccc(Cl)c4n3C(=O)OC(C)(C)C)c2)CC1,VCGIJOWXTGQUMF-UHFFFAOYSA-N
-rxn:4:185402:225896,CCCOc1ccc(-c2cc(OCCOC)c(F)cc2F)cc1S(=O)(=O)N1CC(C)CC(C)C1,GRTKAAZUWPRGIY-UHFFFAOYSA-N
-rxn:4:185412:223527,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)ccc2-c2cc(C3CCN(C(=O)OC(C)(C)C)C3)ccc2C2CC2)CC1,VZYPZCXSHHPISW-UHFFFAOYSA-N
-rxn:4:185412:223777,CC(C)(C)OC(=O)N1CCc2c(ccc(-c3cc(C4CCN(C(=O)OC(C)(C)C)C4)ccc3C3CC3)c2F)C1,NFCLWOXLECSLDM-UHFFFAOYSA-N
-rxn:4:185412:225233,CC1CCCN(c2cc(-c3cc(C4CCN(C(=O)OC(C)(C)C)C4)ccc3C3CC3)cnc2Cl)C1,ZMKGEOWASUEHIR-UHFFFAOYSA-N
-rxn:4:185417:224719,CC(C)c1ccc(N(C(=O)c2ccc(-c3cn(C(=O)OC(C)(C)C)nc3C(C)C)cc2)C2C=CS(=O)(=O)C2)cc1,AXDYKIJFULYIFD-UHFFFAOYSA-N
-rxn:4:185423:224552,CC(C)(C)OC(=O)N1CCOC(c2cc(-c3cc(F)cc(COC4CCCCC4)c3)cc(C3CC3)c2)C1,ISMVHYDCDKULAT-UHFFFAOYSA-N
-rxn:4:185483:222589,O=C1c2ccccc2C(=O)N1CCCOc1cc(-c2ccc(OCCN3CCC(O)CC3)c(Cl)c2)ccc1F,NSXAEWAWRRKBHI-UHFFFAOYSA-N
-rxn:4:185530:223569,COC(=O)CC1COc2ccccc2N1S(=O)(=O)c1ccc(-c2cnc3c(ccn3[Si](C(C)C)(C(C)C)C(C)C)c2F)cc1,PGEYBFANIHKBAV-UHFFFAOYSA-N
-rxn:4:185557:222884,CC(C)(C)NC(=O)c1cc(F)cc(-c2cc(F)c(OC(C)(C)C)c3ccn(C(=O)OC(C)(C)C)c23)c1,KDYXUCDEVIMTPA-UHFFFAOYSA-N
-rxn:4:185600:224489,Cc1c(C(=O)N(Cc2ccccc2F)C2CCS(=O)(=O)C2)oc2ccc(-c3cc(F)ccc3CN(C(C)C)C(C)C)cc12,WKBISJKZCYDPKJ-UHFFFAOYSA-N
-rxn:4:185647:223389,Cc1n[nH]c(C(F)(F)F)c1-c1ccc2c(c1)CC[C@H]1N(C(=O)OC(C)(C)C)CC[C@@]21S(=O)(=O)c1ccc(F)cc1,SGSJKPSEJMPMSO-AJTFRIOCSA-N
-rxn:4:186044:223872,CCOC(=O)c1cc(-c2cccc(C(=O)N(CC)C3CCCCC3)c2)cnc1C(F)(F)F,BATYTYHPVWAGQD-UHFFFAOYSA-N
-rxn:4:186112:223901,COC(=O)c1ccc(OC)c([N+](=O)[O-])c1-c1ccc(OCCN2CCC(C)CC2)c(Cl)c1,ZRKNMAWNZMBBTL-UHFFFAOYSA-N
-rxn:4:186742:224645,COc1cc(C(=O)N2CCCC2)ccc1-c1cc(OC(F)(F)F)cc(C(=O)N2CCCC2)c1,KPTQLJXMANISGR-UHFFFAOYSA-N
-rxn:4:186840:223557,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3cccc(N(C)C(=O)OC(C)(C)C)c3)c(F)ccc21,IBXKDMYJMDQLMD-UHFFFAOYSA-N
-rxn:4:186866:222545,CN(C(=O)OC(C)(C)C)c1ccc(-c2ccc(C(C)(C)NC(=O)OC(C)(C)C)cc2)c(F)c1,IITRFWSAFIGETJ-UHFFFAOYSA-N
-rxn:4:187000:225313,COC(=O)C1CCN(S(=O)(=O)c2ccc(-c3ccc(N4CCN(C)CC4)nc3F)cc2)C1,TWBVDUNQRCRUIH-UHFFFAOYSA-N
-rxn:4:187032:223832,COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1-c1ccc(OCCN2CCC(C)C2)cc1,BDCQLQKIUHLIOO-UHFFFAOYSA-N
-rxn:4:187052:224089,CC1CCN(CCOc2ccc(-c3ccc(OCCN4CCCCC4)cc3F)cc2)CC1,PBBIJIVTXZSYKE-UHFFFAOYSA-N
-rxn:4:187074:222684,COC(=O)c1ccc(-c2ccc(OCCN3CCNCC3)c(Cl)c2)cc1CN1CCOCC1,XIUQZYXZUHVHRY-UHFFFAOYSA-N
-rxn:4:187091:223822,CC(C)(C)COC(=O)c1ccc(C(F)(F)F)cc1-c1ccc(C(=O)C2CCN(C(=O)C(F)(F)F)CC2)cc1,RXOXSHRDVAMOEH-UHFFFAOYSA-N
-rxn:4:187146:225220,CC1CCCCN1c1ncc(-c2ccc(F)cc2CC(=O)N2CCCC(C(F)(F)F)C2)cc1Cl,AYQUXFWGVAAEBJ-UHFFFAOYSA-N
-rxn:4:187148:222981,O=C(Cc1ccc(-c2ccnc(NC3CCCCC3)c2)c(F)c1)N1CCCC(C(F)(F)F)C1,PRBLJBGBHXDNFP-UHFFFAOYSA-N
-rxn:4:187187:223689,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(CN4CCCCC4)c(C(=O)OC)c3)ccc2OC)CC1,PHNOYLOJPMHQNI-UHFFFAOYSA-N
-rxn:4:187192:222637,COC(=O)[C@@H]1CCCN1[C@@H](C)c1ccc(-c2ccc(C(C)NC(=O)OC(C)(C)C)cc2)cc1,YSSNUNFPBNTKCZ-GRZKKUKKSA-N
-rxn:4:187221:223529,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cc(F)ccc3C3CN(C(=O)OC(C)(C)C)C3)cc2F)CC1,RPPRLJHFQCJXDR-UHFFFAOYSA-N
-rxn:4:187228:224292,Cc1cc(-c2ccc(Cl)c(CCN3CCCC(C(F)(F)F)C3)c2)ccc1S(=O)(=O)OCC(C)(C)C,QWANERNFPIPOAN-UHFFFAOYSA-N
-rxn:4:187241:223559,COc1ccc(N(C)C(=O)c2cccc(C)c2-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)cc1,ORWRUTSFMVIOPZ-UHFFFAOYSA-N
-rxn:4:187250:223901,COC(=O)c1ccc(-c2ccc(OCCN3CCC(C)CC3)c(Cl)c2)c(CN2CCCC(F)(F)C2)c1,GTNYUZKFQYBWDO-UHFFFAOYSA-N
-rxn:4:187299:223567,Cc1ccc(C(=O)N(C(C)C)C(C)C)cc1-c1cc2cc(OC(C)C)ccc2n1C(=O)OC(C)(C)C,OVXRMUSACFHAOT-UHFFFAOYSA-N
-rxn:4:187302:224169,CC1CCN(CCOc2ccc(-c3cccc(OCCCN4CCOCC4)c3)cc2F)CC1,KSDGLOJGEPVZSR-UHFFFAOYSA-N
-rxn:4:187303:222604,COc1ccc(-c2ccc(F)cc2CCN2CCC(OC)CC2)cc1S(=O)(=O)NC1CCCC1,MZLYMYCGPQHSMT-UHFFFAOYSA-N
-rxn:4:187311:225271,COC(=O)c1cc(OC)c(OC)cc1-c1cc(Cl)cc(F)c1OCCN1CCCC(C)C1,FEWFYVIOQWBFKC-UHFFFAOYSA-N
-rxn:4:187313:223506,CCOc1ccc(-c2cccc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1S(=O)(=O)N1CCCCC1,PXKLSJUFGXEDOC-UHFFFAOYSA-N
-rxn:4:187323:222827,CC1CCN(Cc2ccc(-c3cc(F)c(S(=O)(=O)NC4CC4)cc3F)cc2OC(F)(F)F)CC1,JJNODKVFDHQNDK-UHFFFAOYSA-N
-rxn:4:187353:222679,COc1ccc(NC(=O)OC(C)(C)C)cc1-c1coc([Si](C(C)C)(C(C)C)C(C)C)n1,SWZAIKKHBSGKQE-UHFFFAOYSA-N
-rxn:4:187377:223009,CC1CCN(C(=O)CS(=O)(=O)c2ccc(-c3cc(Cl)cc(C4CCNCC4)c3)cc2)CC1,WYNLYMYIEGFLSI-UHFFFAOYSA-N
-rxn:4:187378:223005,CC1CCCN(C(=O)CS(=O)(=O)c2ccccc2-c2ccc(C3CCNCC3)c(Cl)c2)C1,YDZJAQZSJCXXRF-UHFFFAOYSA-N
-rxn:4:187378:224244,CC1CCN(C(=O)c2cc(-c3ccccc3S(=O)(=O)CC(=O)N3CCCC(C)C3)ccc2Cl)CC1,VIEVRQVVLOIGEX-UHFFFAOYSA-N
-rxn:4:187406:224616,Cc1cc(-c2ccccc2OCCN2CCOCC2)ccc1OCC(=O)N1CCC(C)CC1,GSHPQYWCZKMTFM-UHFFFAOYSA-N
-rxn:4:187411:223891,CCN(C1CCCCC1)S(=O)(=O)c1ccc(-c2c(F)ccc3c2ccn3[Si](C)(C)C(C)(C)C)cc1,VMXJOQVSCBIFOC-UHFFFAOYSA-N
-rxn:4:187412:225219,CC1CCCCN1c1cc(F)c(-c2ccc(C3CCCN3C(=O)OC(C)(C)C)cc2)cn1,TXNMHXKHAQWKET-UHFFFAOYSA-N
-rxn:4:187416:225220,CC1CCCCN1c1ncc(-c2ccccc2C2CCCN2C(=O)OC(C)(C)C)cc1Cl,PTBOXJPTEDALFZ-UHFFFAOYSA-N
-rxn:4:187417:224719,CC(C)c1nn(C(=O)OC(C)(C)C)cc1-c1ccccc1C1CCN(C(=O)OC(C)(C)C)C1,HCCQFNHTGGFDBE-UHFFFAOYSA-N
-rxn:4:187428:223892,COC(=O)c1cc(-c2ccc(OCCCN3CCN(C)CC3)cc2)ccc1CN1CCCCC1C,AELOWWMHLLHSBV-UHFFFAOYSA-N
-rxn:4:187428:224249,COC(=O)c1cc(-c2cc(C(=O)N3CCCC(C)C3)ccc2F)ccc1CN1CCCCC1C,GTJWGYHMLCVXNN-UHFFFAOYSA-N
-rxn:4:187434:223693,COC(=O)c1ccc(-c2cc(O[Si](C)(C)C(C)(C)C)cc(C(F)(F)F)c2F)c(CN2CCCCC2C)c1,FBIWKVITLLCZLJ-UHFFFAOYSA-N
-rxn:4:187440:223480,Cc1cc(-c2coc(C3CCCN(C(=O)OC(C)(C)C)C3)c2)cc(C)c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,UQAJCOZOURVNSA-UHFFFAOYSA-N
-rxn:4:187488:224619,CCOc1ccc(-c2ccc(OCCN3CCCC3)c(F)c2)cc1S(=O)(=O)N1CCC(C)CC1,RVTHGTCZEJTJTO-UHFFFAOYSA-N
-rxn:4:187499:224818,COc1cc(-c2ccc(S(=O)(=O)N3CCSCC3)cc2)cc(OC)c1C(=O)N1CCCC(C)C1,QHFWHQFBAVASBL-UHFFFAOYSA-N
-rxn:4:187561:227658,CN(C)c1cc(Cl)c(-c2ccc(Cl)c(C(=O)N3CCC(S(=O)(=O)C(C)(C)C)C3)c2)cc1F,PSFFOFUWIWNAMD-UHFFFAOYSA-N
-rxn:4:187571:225758,CC(C)(C)OC(=O)c1cnccc1-c1ccc(C2CCN(C(=O)OC(C)(C)C)CC2)cc1,FCCOHPKPILIIMN-UHFFFAOYSA-N
-rxn:4:187571:225899,Cc1cc(-c2ccc(C3CCN(C(=O)OC(C)(C)C)CC3)cc2)n(C(=O)OC(C)(C)C)n1,PIAQMMDRPQUMHC-UHFFFAOYSA-N
-rxn:4:187577:224076,COC(=O)c1cc(-c2ccc3c(ccn3[Si](C)(C)C(C)(C)C)c2)cc(N(C)C2CCCCC2)c1C,QCVUHTKICOCJEW-UHFFFAOYSA-N
-rxn:4:187581:224273,CC1CN(C(=O)OC(C)(C)C)CCC1c1cc(-c2cc3ncccc3n2C(=O)OC(C)(C)C)co1,CRIBJSDLDMTOFV-UHFFFAOYSA-N
-rxn:4:187590:222542,Cc1ccc(-c2ccc(C3CCCN(C(=O)OC(C)(C)C)C3)cc2F)cc1OCCCN1CCNCC1,FOPOGNQCAFQAGU-UHFFFAOYSA-N
-rxn:4:187596:223761,CC(C)(C)OC(=O)N1CCC(c2cc(-c3ccc(C4CCCN4C(=O)OC(C)(C)C)cc3)ccc2F)CC1,LFKGVTGJTLSZFQ-UHFFFAOYSA-N
-rxn:4:187625:223902,CC1CCN(CCOc2ccc(-c3cccc(OC(C)C)c3CN3CCC(C)CC3)cc2F)CC1,VBBDABXRGNFCET-UHFFFAOYSA-N
-rxn:4:187663:223938,Cc1cc(-c2cc3cc(Cl)ccc3n2C(=O)OC(C)(C)C)ccc1C1CCCN(C(=O)OC(C)(C)C)C1,QKAZZOROMKRRIJ-UHFFFAOYSA-N
-rxn:4:187665:223975,CC1CN(C(=O)OC(C)(C)C)CCC1c1cccc(-c2cn(C(=O)OC(C)(C)C)c3ccc(Cl)nc23)c1,YOFMHYWMIULETF-UHFFFAOYSA-N
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-rxn:4:199589:223882,Cc1cccc2c1cc(-c1ccc(CN(C(=O)OC(C)(C)C)C(C)C)cn1)n2C(=O)OC(C)(C)C,GHAWTYAZRQRZBD-UHFFFAOYSA-N
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-rxn:4:199662:225818,O=C(Cc1ccc(C(F)(F)F)cc1)N1CCC(Oc2ccc(-c3ccc(C(F)(F)F)cc3C3CC3)cn2)C1,CYNJFSLHKSYHMR-UHFFFAOYSA-N
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-rxn:4:201870:223907,O=C(OCc1ccccc1)c1ccc(-c2ccc(Cl)c(C(=O)N3CC(CN4C(=O)CCC4=O)C3)c2)c(F)c1,YMUFIKGHGOIRBO-UHFFFAOYSA-N
-rxn:4:201870:224599,O=C(c1ccc(F)c(-c2ccc(Cl)c(C(=O)N3CC(CN4C(=O)CCC4=O)C3)c2)c1)C1CCCCC1,NNYZTTMIMZCBME-UHFFFAOYSA-N
-rxn:4:201870:225758,CC(C)(C)OC(=O)c1cnccc1-c1ccc(Cl)c(C(=O)N2CC(CN3C(=O)CCC3=O)C2)c1,OBYRDKDTXQXUDV-UHFFFAOYSA-N
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-rxn:4:201925:225261,CCN(CC)S(=O)(=O)c1cccc(-c2cccc(C3CCCN3C(=O)OC(C)(C)C)n2)c1,DTUVKSOEQDMPQM-UHFFFAOYSA-N
-rxn:4:201934:223520,CC(c1ccc(-c2cc(C3CCN(C(=O)OC(C)(C)C)C3)ccn2)cc1)N1CCN(C(=O)OC(C)(C)C)CC1,KUVOQBWGVIHWDJ-UHFFFAOYSA-N
-rxn:4:201941:223822,CC(C)(C)COC(=O)c1ccc(C(F)(F)F)cc1-c1cncc(C(=O)N2CCC(SC(C)(C)C)C2)c1,VIUFVSMVPYNHSQ-UHFFFAOYSA-N
-rxn:4:201941:224256,CC1CCCCN1C(=O)c1cc(-c2cncc(C(=O)N3CCC(SC(C)(C)C)C3)c2)ccc1Cl,KZTJMDVXZQNKJA-UHFFFAOYSA-N
-rxn:4:201941:225173,CC(C)(C)SC1CCN(C(=O)c2cncc(-c3ccc(C(=O)N4CCCC4)cc3F)c2)C1,MIKBPMRYEOPWOI-UHFFFAOYSA-N
-rxn:4:201947:223602,CC(C)(C)OC(=O)c1cc(-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2Cl)cnc1N1CCCC1,UTBJLYABGWEGRX-UHFFFAOYSA-N
-rxn:4:201949:222724,COC(=O)c1ccc(-c2cnc(N3CCNCC3)c(C(F)(F)F)c2)cc1CN1CCN(C)CC1,AZXKPSQJJWVZDY-UHFFFAOYSA-N
-rxn:4:201950:224670,CN1CCN(Cc2ccc(F)c(-c3ccc(C4CCN(C(=O)OC(C)(C)C)C4)nc3)c2)CC1,DNNFFYFKQCALNR-UHFFFAOYSA-N
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-rxn:4:201975:223481,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCN(C(=O)c5ccco5)CC4)cc3)c(F)c2)CC1,VMNFMAZVJQUTHO-UHFFFAOYSA-N
-rxn:4:201998:225975,CC(C)(C)OC(=O)N1CCOCC1c1cc(-c2ccnc(N3CCOCC3)c2Cl)ccn1,WABZCEPJDHYDKY-UHFFFAOYSA-N
-rxn:4:201998:225980,CC(C)(C)OC(=O)N1CCOCC1c1cc(-c2cc(N3CCOCC3)ncc2F)ccn1,FTHBROMLEVXBBS-UHFFFAOYSA-N
-rxn:4:202008:222998,CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cc(F)cc(C2CCCNC2)c1,NVBFRBBWGMXTFT-UHFFFAOYSA-N
-rxn:4:202008:224318,CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1ccc(C(=O)N2CCN(C)CC2)c(F)c1,PVYPTVQKQCQFNI-UHFFFAOYSA-N
-rxn:4:202010:224834,CN(C)S(=O)(=O)n1cc(-c2cncc(C3CN(C(=O)OC(C)(C)C)CCO3)c2)c(C(F)(F)F)n1,KTGFJJWXZYTCMV-UHFFFAOYSA-N
-rxn:4:202010:225312,CN1CCCN(c2ncc(-c3cncc(C4CN(C(=O)OC(C)(C)C)CCO4)c3)cn2)CC1,VJDTVAONBVTCSN-UHFFFAOYSA-N
-rxn:4:202010:225898,CC(C)(C)OC(=O)N1CCOC(c2cncc(-c3cnn(CCN4CCOCC4)c3)c2)C1,AJBYLHAECRHWFM-UHFFFAOYSA-N
-rxn:4:202011:223933,CC(C)(C)OC(=O)N1CCOC(c2ccc(-c3cc4cc(F)ccc4n3C(=O)OC(C)(C)C)cn2)C1,GKPIMYOIMPDLCX-UHFFFAOYSA-N
-rxn:4:202015:225898,CC(C)(C)OC(=O)c1cc(-c2cnn(CCN3CCOCC3)c2)cnc1N1CCOCC1,ZFNGYEDPDKMGNE-UHFFFAOYSA-N
-rxn:4:202069:225110,CC(C)(C)OC(=O)Oc1ccc(-c2cncc(C(=O)N3CCC(S(=O)(=O)C(C)(C)C)C3)c2)cc1,MVPMPGBKSTYRFX-UHFFFAOYSA-N
-rxn:4:202069:225361,CC(C)(C)S(=O)(=O)C1CCN(C(=O)c2cncc(-c3cn(C4CCCC4)nc3C(F)(F)F)c2)C1,XOMAJQZYLCMTOO-UHFFFAOYSA-N
-rxn:4:202069:225812,Cc1cc(-c2cncc(C(=O)N3CCC(S(=O)(=O)C(C)(C)C)C3)c2)c(F)c(OC(C)C)c1F,SZEUBJGCKRQLAU-UHFFFAOYSA-N
-rxn:4:202072:223504,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cccc(N4CCN(C(=O)OC(C)(C)C)CC4=O)c3)cc2[N+](=O)[O-])CC1,MZLDHGSWGUBLGE-UHFFFAOYSA-N
-rxn:4:202077:224323,Cc1cc(-c2cccnc2OC2CCN(S(=O)(=O)c3ccccc3)CC2)cc(C)c1S(=O)(=O)N1CCCC1,XQYIKWLQCMSUGE-UHFFFAOYSA-N
-rxn:4:202103:222929,CC(C)(C)OC(=O)N1CCC(c2cnccc2-c2cnc(Cl)c(N3CCC(O)CC3)c2)CC1,BDSSPTWXEVNIHR-UHFFFAOYSA-N
-rxn:4:202103:224719,CC(C)c1nn(C(=O)OC(C)(C)C)cc1-c1ccncc1C1CCN(C(=O)OC(C)(C)C)CC1,ZPBUTJFDVXLTLQ-UHFFFAOYSA-N
-rxn:4:202105:225332,CCOc1ccc(OC(F)(F)F)cc1-c1ccc(C2CCCN(C(=O)OC(C)(C)C)C2)cn1,PSLMBYAVEMHXGB-UHFFFAOYSA-N
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-rxn:4:202163:223106,Cc1cc(C2=CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1cnc(N2CCC(O)C2)nc1Cl,MBOVUNOUYGPURE-UHFFFAOYSA-N
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-rxn:4:202212:224391,Cc1ccc(S(=O)(=O)N2CCC(Oc3ncccc3-c3ccc(S(=O)(=O)N4CCOCC4)cc3C)C2)cc1C,FXYBUEZVTJSVPR-UHFFFAOYSA-N
-rxn:4:202212:224752,Cc1ccc(S(=O)(=O)N2CCC(Oc3ncccc3-c3ccc(S(=O)(=O)N4CCCC4)cc3C)C2)cc1C,JDGOPWUOXRQOJP-UHFFFAOYSA-N
-rxn:4:202215:222700,COc1ccc(-c2ccc(C(F)(F)F)cc2C2CCCNC2)cc1S(=O)(=O)N1CCN(c2ccc(F)cc2)CC1,QDLUMOXXQUBLDS-UHFFFAOYSA-N
-rxn:4:202215:222890,COc1cc(-c2ccc(OC)c(S(=O)(=O)N3CCN(c4ccc(F)cc4)CC3)c2)cc(C2CCCNC2)n1,OLRNLEYXIQTOGV-UHFFFAOYSA-N
-rxn:4:202229:225899,Cc1cc(-c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)ccc2C)n(C(=O)OC(C)(C)C)n1,ALENPUYJVLPJLX-UHFFFAOYSA-N
-rxn:4:202231:224962,Cc1cc(-c2ccccc2COC2CCOCC2)ccc1N1CCN(C(=O)OC(C)(C)C)CC1,UVEPUWULPMSGBW-UHFFFAOYSA-N
-rxn:4:202273:223997,Cc1cc(-c2cccc(CN3CCCC(C(=O)N4CCSCC4)C3)c2)cc(C)c1S(=O)(=O)N1CCOCC1,WFIZHJNATBPACM-UHFFFAOYSA-N
-rxn:4:202278:222718,CCc1ccccc1N1CCN(S(=O)(=O)c2ccc(-c3cc(S(=O)(=O)N4CCNCC4)ccc3C)cc2)CC1,UTOHHOMSGYHBRG-UHFFFAOYSA-N
-rxn:4:202295:222778,COc1cc(-c2cncc(CNC(=O)OC(C)(C)C)c2)ccc1S(=O)(=O)N1CCN(c2ccc(C)cc2)CC1,DZEWMYNHZCPESC-UHFFFAOYSA-N
-rxn:4:202315:223540,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1ccccc1S(=O)(=O)N1CCC(Oc2cc(C)n(C)c(=O)c2)CC1,LOWFBAWFLZXHSK-UHFFFAOYSA-N
-rxn:4:202322:225518,CCCCCOc1ncc(C)cc1-c1ccc(CN2CCC(C(F)(F)F)CC2)c(N2CCCCC2)c1,KIKGYDKOAXQXFO-UHFFFAOYSA-N
-rxn:4:202332:223662,COc1ccc(-c2ccc(C(=O)OCc3ccccc3)cc2[N+](=O)[O-])cc1S(=O)(=O)N1CCN(c2c(C)cccc2C)CC1,MHHXBFJEBXJFGJ-UHFFFAOYSA-N
-rxn:4:202339:223699,CC1CCCN(S(=O)(=O)c2nc(-c3ccc(-c4ccc(S(=O)(=O)N5CCOCC5)cc4C(F)(F)F)cc3)oc2-c2ccc(Cl)cc2)C1,GUGUUALOSYZSRO-UHFFFAOYSA-N
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-rxn:4:202518:225545,CC(C)COC(=O)c1ccccc1-c1nc2c(s1)CN(C(=O)OC(C)(C)C)[C@H]2C(C)C,UJAZPGBQWBOJNT-FQEVSTJZSA-N
-rxn:4:202559:222636,C[C@@H](NC(=O)OC(C)(C)C)c1ccc(-c2cc(C#N)c3c(c2)C(C)(C)CN3C(=O)OC(C)(C)C)cc1,PQAALQSUKJEHML-GOSISDBHSA-N
-rxn:4:202568:223570,COC(=O)CN1C(C)=Nc2ccc(-c3c(F)ncc4c3ccn4[Si](C(C)C)(C(C)C)C(C)C)cc2C1c1ccccc1Cl,NASNCDCCEUGWAV-UHFFFAOYSA-N
-rxn:4:202594:224826,CCOC(=O)c1cc(-c2cccc3c(N4CCCCC4)c(C(=O)OCC)cnc23)cnc1C(F)(F)F,MTALEUQNLFXHLI-UHFFFAOYSA-N
-rxn:4:202714:225232,CC1CCN(c2cc(-c3ccc4cncc(C5CCCN(C(=O)OC(C)(C)C)C5)c4c3)cnc2Cl)CC1,IMLALYJZGWMUBA-UHFFFAOYSA-N
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-rxn:4:202734:224818,O=S(=O)(c1ccc(-c2ccc(S(=O)(=O)N3CCN(S(=O)(=O)c4ccc5ccccc5c4)CC3)cc2)cc1)N1CCSCC1,NOAFFAWRJUEJFQ-UHFFFAOYSA-N
-rxn:4:202807:222684,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2ccc(OCCN3CCNCC3)c(Cl)c2)cc1,DMYFWOUAHBYIDN-UHFFFAOYSA-N
-rxn:4:202807:223737,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2ccc(C(c3ccccc3)N3CCCC3)cc2)cc1,OTNCDNQZUNALDB-UHFFFAOYSA-N
-rxn:4:202807:223992,Cc1ccc(-c2ccc(Sc3c(C)nn(C(=O)C45CC6CC(CC(C6)C4)C5)c3C)cc2)cc1S(=O)(=O)N1CCN(C)CC1,CYZWWSKWIRNSOB-UHFFFAOYSA-N
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-rxn:4:203731:224376,CN1CCN(S(=O)(=O)c2cccc(-c3ccc(C(=O)N4CC(N5CCCC5)C4)o3)c2)CC1,PFFSRQWWQODIEM-UHFFFAOYSA-N
-rxn:4:203878:223695,CC1CCN(Cc2cc([N+](=O)[O-])ccc2-c2cccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)CC1,OASBMTVKQDPYPS-UHFFFAOYSA-N
-rxn:4:203878:224252,CC1CCN(Cc2cc([N+](=O)[O-])ccc2-c2ccc(C(=O)N3CCCC(C)C3)c(F)c2)CC1,NJAYHTLRGAQDHN-UHFFFAOYSA-N
-rxn:4:203892:222716,O=C(c1ccccc1-c1ccc(S(=O)(=O)NC2CCCC2)c(F)c1)N1CC(N2CCCC2)C1,DTEKYDSDOVGGHZ-UHFFFAOYSA-N
-rxn:4:203928:224397,O=C1CCN(S(=O)(=O)c2ccc(-c3cccc(CN4CCN(C5CC5)CC4)c3Cl)cc2)CC1,KNLHUYJRNFDHRX-UHFFFAOYSA-N
-rxn:4:203932:223998,COc1cc(N2CCC(C)CC2)c(-c2ccc(S(=O)(=O)N3CCC(C)CC3)c(F)c2)cc1[N+](=O)[O-],UDIOGPPVXAMKHG-UHFFFAOYSA-N
-rxn:4:203986:226329,N#CC1(c2ccc(-c3ccc(Cl)c(C(=O)N4CCC(N5C(=O)CSC5=O)CC4)c3)cc2F)CC1,GPLZGZGQTJNGGA-UHFFFAOYSA-N
-rxn:4:203986:226339,N#Cc1cc(Cl)c(C2CC2)c(-c2ccc(Cl)c(C(=O)N3CCC(N4C(=O)CSC4=O)CC3)c2)c1,LDJDDTOONKNTIX-UHFFFAOYSA-N
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-rxn:4:204115:222622,CCC(C)c1cc(-c2ccccc2S(=O)(=O)N2CCCN(C3CCC3)CC2)cc(C2CCCNC2)n1,PXPVGFWAYRRZPL-UHFFFAOYSA-N
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-rxn:4:204135:223266,CNC(=O)c1ccc(F)cc1-c1ccccc1S(=O)(=O)N1CCCN(C2CCSC2)CC1,OURUFUQBQZWJJC-UHFFFAOYSA-N
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-rxn:4:207890:224196,CCN1CCN(Cc2cc(F)cc(-c3cnn(CC45CC6CC(CC(C6)C4)C5)c3C)c2)CC1,ULQQMQWPOVXINH-UHFFFAOYSA-N
-rxn:4:207890:224597,Cc1c(-c2cc(C3CC3)cc(N3CCOCC3)c2)cnn1CC12CC3CC(CC(C3)C1)C2,GGTGVXADUUXFPR-UHFFFAOYSA-N
-rxn:4:207959:223136,Cc1ccc(C2=NN3C(C2)c2cc(-c4ccncc4C4CCCNC4)ccc2OC3C2CCCCC2)cc1,CNZJFFSPBOZLPV-UHFFFAOYSA-N
-rxn:4:209624:223534,CC(C)(C)OC(=O)N1CCC(Oc2cc(-c3ccc(N4CCOCC4)nc3)c(F)cn2)CC1,LBXXHKWKGUOVMK-UHFFFAOYSA-N
-rxn:4:209639:223595,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(N4CCOCC4)c(F)c3)cc2F)CC1,FZRDOOITJSDSEX-UHFFFAOYSA-N
-rxn:4:209649:223588,Cc1cc(-c2cn(C3CCCC3)c(C)n2)cnc1N1CCN(C(=O)OC(C)(C)C)CC1,KDIPCZWJQUGYGO-UHFFFAOYSA-N
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-rxn:4:209872:223542,CN1CCN(c2ccc(-c3ccc(OC(F)(F)F)c(S(=O)(=O)N4CCN(C)CC4)c3)cc2F)CC1,JPOKUQMWCKVOPH-UHFFFAOYSA-N
-rxn:4:210294:223493,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1cc(F)c2c(Cl)nccc2c1[N+](=O)[O-],HROMTLIUJYJTNJ-UHFFFAOYSA-N
-rxn:4:211097:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc2c(c1)C1CC(c3ccc(Cl)cc3)=NN1C1(CCCC1)O2,XJIDBESSOMNNGM-UHFFFAOYSA-N
-rxn:4:211101:226174,Cc1ccc(C2=NN3C(C2)c2cc(-c4ccc(C5CCCCC5)nc4)ccc2OC32CCC(C)CC2)cc1,NFCVCSGTAJZYMC-UHFFFAOYSA-N
-rxn:4:211105:222829,CNS(=O)(=O)c1ccc(-c2ccc(-n3sc4c(c3=S)-c3cc(C)c(C)c5c3N(C(=O)C5=O)C4(C)C)cc2)c(C(F)(F)F)c1,QHSWHTVXCSOTEI-UHFFFAOYSA-N
-rxn:4:212532:224649,O=C(c1cccc(OC(F)(F)F)c1)N1CC(Cn2cc(-c3cc(F)ccc3OCC3CCCCO3)cn2)C1,NHHGURDUDHAXSL-UHFFFAOYSA-N
-rxn:4:212532:225182,O=C(c1cccc(OC(F)(F)F)c1)N1CC(Cn2cc(-c3ccnc(OC4CCCCC4)c3Cl)cn2)C1,LBHODPUNGIBKSI-UHFFFAOYSA-N
-rxn:4:212541:223646,CC(C)(C)OC(=O)N1CC(COc2cncc(-c3ccc(OC4CCN(C(=O)OC(C)(C)C)C4)cc3)n2)C1,MMNRTDWDZBQQEL-UHFFFAOYSA-N
-rxn:4:212542:225126,CCOCC(=O)N1CCCC(Oc2ncc(-c3cc(F)ccc3OCC3CCCO3)cn2)C1,FRHLZGAAYYLTDG-UHFFFAOYSA-N
-rxn:4:212542:225940,CCOCC(=O)N1CCCC(Oc2ncc(-c3cc(C(F)(F)F)cnc3C3CC3)cn2)C1,FWPXIZKHGGCRPB-UHFFFAOYSA-N
-rxn:4:212547:223812,CCOCCN1CCC(Oc2ncc(-c3cc(F)cc(CN4CCC5(CC4)OCCO5)c3)cn2)CC1,MGZUKVSTHGHMQN-UHFFFAOYSA-N
-rxn:4:212547:224196,CCOCCN1CCC(Oc2ncc(-c3cc(F)cc(CN4CCN(CC)CC4)c3)cn2)CC1,GQLOXYJRVMWEDH-UHFFFAOYSA-N
-rxn:4:212547:224672,CCOCCN1CCC(Oc2ncc(-c3ccc(N4CCN(CC)CC4)cc3Cl)cn2)CC1,HFZRFHTYAUDWNZ-UHFFFAOYSA-N
-rxn:4:212593:225286,CN(C(=O)c1ccc(-c2cc(F)ncc2C(=O)OC(C)(C)C)nc1)C1CN(C(=O)OC(C)(C)C)C1,WXTUSRZIENJRSW-UHFFFAOYSA-N
-rxn:4:212623:224257,CC1CCCCN1C(=O)c1ccc(Cl)c(-c2cc(F)ccc2CC(=O)N2CCCC(COc3ncccn3)C2)c1,XZDASJUMWRXFPY-UHFFFAOYSA-N
-rxn:4:212639:222809,CC(C)(C)OC(=O)Nc1cnc(Cl)cc1-c1cncc(CC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1,MCLPFXRJRVLSBS-UHFFFAOYSA-N
-rxn:4:212639:223635,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3cncc(CC(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c3)cc2)CC1,ITYAMYWWUPIQMM-UHFFFAOYSA-N
-rxn:4:212649:226236,CCCCOc1ncc(C)cc1-c1cnc(OCC2CCCN(C(=O)C(C)(C)CC)C2)nc1,ISDIOUMIWZTJNO-UHFFFAOYSA-N
-rxn:4:212650:224750,CC(C)(C)CC(=O)N1CCCC(COc2ncc(-c3ccc(Cl)c(C(=O)N4CCOCC4)c3)cn2)C1,JVDMZJIWRYJBDD-UHFFFAOYSA-N
-rxn:4:212650:227275,CCCOc1c(F)cccc1-c1cnc(OCC2CCCN(C(=O)CC(C)(C)C)C2)nc1,HFHHZMBMXAFACC-UHFFFAOYSA-N
-rxn:4:212656:224276,COC(=O)c1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)c(-c2cn(C(=O)OC(C)(C)C)c3cccnc23)c1,RTIUQASLAPBLMX-UHFFFAOYSA-N
-rxn:4:212658:227911,CCc1ccc(-c2cnc(C(=O)OC)c(N3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1C#N,NHCGYTSQNPSOAQ-UHFFFAOYSA-N
-rxn:4:212660:224751,COc1cccc(CN2CCC(COc3ncc(-c4ccc(F)c(C(=O)N5CCOCC5)c4)cn3)CC2)c1,CHBUFLREGZSRGW-UHFFFAOYSA-N
-rxn:4:212685:223558,COC(=O)c1ccc(N2CCN(S(=O)(=O)c3ccc(-c4ccc5c(c4)CCN(C(=O)OCc4ccccc4)C5)cc3)CC2)c([N+](=O)[O-])c1,WROPINMXPGOTFE-UHFFFAOYSA-N
-rxn:4:212730:222826,COc1ccc(-c2noc(C3CCCN(S(=O)(=O)c4ccc(-c5cccc(S(=O)(=O)N6CCNCC6)c5)cc4)C3)n2)c(OC)c1,LZLDWZWCWQEWPU-UHFFFAOYSA-N
-rxn:4:212736:226803,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cnn(-c4ccnc(Cl)c4)c3)cc2N2CCCC2)CC1,CSMTYAHQVICEGH-UHFFFAOYSA-N
-rxn:4:212771:225232,CC1CCN(c2cc(-c3ccc4nc(N(CCN(C)C)C(=O)C5=COCCO5)sc4c3)cnc2Cl)CC1,LXLWWDJPKHQFDU-UHFFFAOYSA-N
-rxn:4:212814:225399,Cc1cc(-c2ccccc2)cc(-c2c3c(nn2C(=O)OC(C)(C)C)C(C)(C)N(C(=O)OC(C)(C)C)C3)c1,IWLIQPWJRKOUFE-UHFFFAOYSA-N
-rxn:4:212816:222730,CCCc1cc(-c2ccc(S(=O)(=O)N3CCN(C(=O)CCc4c[nH]c5ccccc45)CC3)cc2)cc(C2CCNCC2)n1,INCNZPSLLVLWDG-UHFFFAOYSA-N
-rxn:4:212824:225977,COc1cc(C(=O)N2CCN(c3nc4ccc(-c5cc(Cl)cnc5N5CCOCC5)cc4s3)CC2)cc(OC)c1OC,KBAJOXOYPUCTAH-UHFFFAOYSA-N
-rxn:4:212846:222828,CC(=O)N1CCc2c(sc3nc(SCc4ccc(-c5cc(F)c(F)cc5S(=O)(=O)NC5CC5)cc4)n(Cc4ccco4)c(=O)c23)C1,UWMXVSWOWFJLMY-UHFFFAOYSA-N
-rxn:4:212902:222791,CN(Cc1nn(C)cc1-c1cc(NC(=O)OC(C)(C)C)ccc1Cl)C(=O)OC(C)(C)C,WBNPLKALMUALPW-UHFFFAOYSA-N
-rxn:4:212905:223573,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccnc(OC4CN(C(=O)OC(C)(C)C)C4)n3)cc2)CC1,JAWSHSNHKJKZFH-UHFFFAOYSA-N
-rxn:4:212905:223776,CC(C)(C)OC(=O)N1CCOc2ccc(-c3ccnc(OC4CN(C(=O)OC(C)(C)C)C4)n3)cc2C1,JWOSMHOVNBKLGN-UHFFFAOYSA-N
-rxn:4:212923:223683,CC(C)(C)OC(=O)N1CCC(Oc2ncc(-c3ccc(C4(C#N)CN(C(=O)OC(C)(C)C)C4)nc3)cn2)C1,IIRPVOQNVIQWBT-UHFFFAOYSA-N
-rxn:4:212927:224368,CN(C(=O)OC(C)(C)C)c1cc(-c2ccc(OCc3nc(C#N)c(N4CCOCC4)o3)cc2)cnc1Cl,CADGIDXESJQAJT-UHFFFAOYSA-N
-rxn:4:212966:223946,CCN(C(=O)OC(C)(C)C)c1ccc(-c2cnc(OC3CCN(C(=O)OC(C)(C)C)C3)nc2)c(Cl)c1,RISLGGWXBFNTJA-UHFFFAOYSA-N
-rxn:4:212970:222812,Cc1nc(OC2CN(C(=O)OC(C)(C)C)C2)ncc1-c1cnc(Cl)c(NC(=O)OC(C)(C)C)c1,CKQASJRMZNRODW-UHFFFAOYSA-N
-rxn:4:212970:223670,Cc1nc(OC2CN(C(=O)OC(C)(C)C)C2)ncc1-c1cccnc1N1CCN(C(=O)OC(C)(C)C)CC1,DWYBSZBFFGCSFT-UHFFFAOYSA-N
-rxn:4:212980:222546,O=C(c1cncc(-c2ccc(OCCNC3CCCCC3)c(F)c2)c1)N1CCC(COc2ccc(F)cn2)C1,MVVBLTQJSDRKRW-UHFFFAOYSA-N
-rxn:4:212984:222447,COc1ccc2c(c1-c1cnccc1OC1CCN(C(=O)c3ccc(C(F)(F)F)nc3)C1)N=C(NC(=O)OC(C)(C)C)C2,NIKWEUKARGXOHF-UHFFFAOYSA-N
-rxn:4:212984:225335,CCOc1cc(OC(F)(F)F)ccc1-c1cnccc1OC1CCN(C(=O)c2ccc(C(F)(F)F)nc2)C1,UFQCQBVZYMBOCP-UHFFFAOYSA-N
-rxn:4:212988:225758,CC(C)(C)OC(=O)c1cnccc1-c1nc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cs1,NIISPSRNAJOBRQ-UHFFFAOYSA-N
-rxn:4:212988:226865,CC(C)(C)OC(=O)N1CCN(C(=O)c2csc(-c3ccc(Cl)c(OC(F)(F)F)c3)n2)CC1,MCLUDKOCAOSAOD-UHFFFAOYSA-N
-rxn:4:213010:222928,Cc1nc(N2CCC(O)CC2)ncc1-c1cnn(C[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)c1,AGVRRALXUITVSP-IBGZPJMESA-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:4:213038:225984,CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(-c3cnc(Cl)c(N4CCOCC4)c3)c[nH]2)CC1,UKGDDUHNQCBIHP-UHFFFAOYSA-N
-rxn:4:213053:222634,O=C(C1CC(F)(F)C1)N1CCCC(COc2ncc(-c3ccc(OCCNC4CCCC4)c(F)c3)cn2)C1,ABZVNUKHJQPKKU-UHFFFAOYSA-N
-rxn:4:213065:225746,CC(C)(C)OC(=O)c1ncccc1-c1cnc(OC2CCCN(C(=O)c3ccc(C(F)(F)F)cc3)C2)nc1,CNQBDTQZINKDMN-UHFFFAOYSA-N
-rxn:4:213065:225754,COC(=O)c1cc(-c2cnc(OC3CCCN(C(=O)c4ccc(C(F)(F)F)cc4)C3)nc2)c(C2CC2)cn1,NEZPBHDMBVHXAK-UHFFFAOYSA-N
-rxn:4:213074:224392,Cc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1nccn1CC1CCN(C(=O)OC(C)(C)C)CC1,MJMYFZNOLZFRQN-UHFFFAOYSA-N
-rxn:4:213074:226762,CSc1cc(-c2nccn2CC2CCN(C(=O)OC(C)(C)C)CC2)cc(C(F)(F)F)c1,DIOZNRUSELTYKO-UHFFFAOYSA-N
-rxn:4:213075:225975,CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(-c3ccnc(N4CCOCC4)c3Cl)n2)CC1,KUJZSHZBJARQBY-UHFFFAOYSA-N
-rxn:4:213076:222519,CC(C)N(C(C)C)S(=O)(=O)c1ccc(-n2cc(-c3cc(C(F)(F)F)ccc3NC(=O)OC(C)(C)C)cn2)cc1,XAEBUHCSZJTUAQ-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:4:213077:224082,CCC(C(=O)OC(C)(C)C)c1cccc(-c2cn(C3CCN(C(=O)OC(C)(C)C)CC3)nc2C(F)F)c1,HTHXMXNNOQHXRG-UHFFFAOYSA-N
-rxn:4:213080:225975,CC(C)(C)OC(=O)N1CCN(C(=O)c2cncc(-c3ccnc(N4CCOCC4)c3Cl)c2)CC1,NUVYONBHMJTPSP-UHFFFAOYSA-N
-rxn:4:213088:223166,CC(C)(C)OC(=O)N1CCN(c2cccc(-c3ccc(N4CCNCC4)nc3)c2C#N)CC1,BWMONPNJIINCHS-UHFFFAOYSA-N
-rxn:4:213096:224356,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cc4sc(Cl)cc4n3C(=O)OC(C)(C)C)ccc2C#N)CC1,DHDOQRYGASYRIM-UHFFFAOYSA-N
-rxn:4:213100:226865,CC(C)(C)OC(=O)N1CCC(n2cc(-c3ccc(Cl)c(OC(F)(F)F)c3)c(C(F)(F)F)n2)CC1,PHNRYBJLJIGADC-UHFFFAOYSA-N
-rxn:4:213126:223507,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccccc3S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)nc2)CC1,KRVQANSVIKXMQO-UHFFFAOYSA-N
-rxn:4:213126:223533,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)cc3F)nc2)CC1,PMBCLTDGBYPSRB-UHFFFAOYSA-N
-rxn:4:213127:225976,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3ccnc(N4CCOCC4)c3F)ccn2)CC1,LJMMBIFZZURWNA-UHFFFAOYSA-N
-rxn:4:213130:223831,COc1ccc(-c2cncc(CN3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1S(=O)(=O)N1CCC(C)CC1,MTLDSMIGNKYKCK-UHFFFAOYSA-N
-rxn:4:213131:223790,CC(C)(C)OC(=O)N1CCCC1c1cncc(-c2cnc(OCC3CCN(C(=O)C(C)(C)C)CC3)nc2)c1,SARVLAXFTPJRSD-UHFFFAOYSA-N
-rxn:4:213131:225273,CCCOc1cc(C(F)(F)F)ccc1-c1cnc(OCC2CCN(C(=O)C(C)(C)C)CC2)nc1,AFNUUJZVSNUDRY-UHFFFAOYSA-N
-rxn:4:213131:225641,CC1CCCN(c2cc(-c3cnc(OCC4CCN(C(=O)C(C)(C)C)CC4)nc3)ccn2)C1,JJEMHEUGGFFDFL-UHFFFAOYSA-N
-rxn:4:213131:225977,CC(C)(C)C(=O)N1CCC(COc2ncc(-c3cc(Cl)cnc3N3CCOCC3)cn2)CC1,UWCGLKZXAGPYIZ-UHFFFAOYSA-N
-rxn:4:213132:222546,CC(C)(C)C(=O)N1CCCC(COc2ncc(-c3ccc(OCCNC4CCCCC4)c(F)c3)cn2)C1,QQCWSEGIHBQSMJ-UHFFFAOYSA-N
-rxn:4:213133:223750,CC(C)(C)[Si](C)(C)Oc1c(-c2cnc(OCC3CCN(CC4CCCO4)CC3)nc2)ccc2cccnc12,ISIQMTOERYALMV-UHFFFAOYSA-N
-rxn:4:213134:226981,CCCCCCc1ccsc1-c1cnc(OC2CCN(C(=O)C(C)(C)CC)CC2)nc1,ZWJKTNHXMLQWGB-UHFFFAOYSA-N
-rxn:4:213135:225875,CC(C)(C)CC(=O)N1CCC(Oc2ncc(-c3ccc(N4CCOCC4)cc3Cl)cn2)CC1,IBHCMGJMANCIBX-UHFFFAOYSA-N
-rxn:4:213147:228454,COc1cc(-c2cncc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)c(OC)nn1,ZMSXIOMDOMMCDX-UHFFFAOYSA-N
-rxn:4:213160:224397,COc1ccccc1S(=O)(=O)N1CCC(Oc2ncc(-c3ccc(S(=O)(=O)N4CCC(=O)CC4)cc3)cn2)CC1,PQLDONPFHRNVDG-UHFFFAOYSA-N
-rxn:4:213162:223901,COc1ccc(S(=O)(=O)N2CCC(Oc3ncc(-c4ccc(OCCN5CCC(C)CC5)c(Cl)c4)cn3)CC2)cc1F,NNOMCSSBHIUTRX-UHFFFAOYSA-N
-rxn:4:213172:224742,COc1cc(OC)c(C2OCCO2)cc1-c1ccc(S(=O)(=O)N2CCC(CSc3nccn3C)CC2)cc1,OTAJEMRMYUNGNO-UHFFFAOYSA-N
-rxn:4:213176:222584,Cc1cccnc1OCC1CCN(C(=O)c2cncc(-c3ccc(OCCCN4CCNCC4)c(F)c3)c2)CC1,SPBCBRBORAYOIA-UHFFFAOYSA-N
-rxn:4:213179:225361,Cc1ccc(OCC2CCN(C(=O)c3cccc(-c4cn(C5CCCC5)nc4C(F)(F)F)c3)CC2)nn1,KQKYOBFOSCRBID-UHFFFAOYSA-N
-rxn:4:213180:222634,Cc1cc(C(=O)N2CCC(COc3ncc(-c4ccc(OCCNC5CCCC5)c(F)c4)cn3)CC2)c(C)o1,HQROANCVPLWVJP-UHFFFAOYSA-N
-rxn:4:213196:222884,CC(C)(C)NC(=O)c1cc(F)cc(-c2cnc(OCC3CCCN(C(=O)C4CCOCC4)C3)nc2)c1,GQLBFJAKPSBOJX-UHFFFAOYSA-N
-rxn:4:213202:225296,Cc1ccc(OCC2CCN(S(=O)(=O)c3ccccc3-c3ccc(S(=O)(=O)N4CCCC4)cc3)CC2)nn1,GWYUSONUYUGNBK-UHFFFAOYSA-N
-rxn:4:213203:222803,Cc1ccc(OCC2CCN(S(=O)(=O)c3ccc(-c4ccc(C5CCNC5)c(C(F)(F)F)c4)cc3)CC2)nn1,UVITVINYFISXLE-UHFFFAOYSA-N
-rxn:4:213213:222948,CN(c1cccc(-c2cnc(N3CCC(O)CC3)nc2Cl)n1)C1CCN(C(=O)OC(C)(C)C)CC1,HKTWQJMKWZZTRF-UHFFFAOYSA-N
-rxn:4:213222:225975,CC(C)(C)c1csc(CN2CCN(C(=O)c3ccc(-c4ccnc(N5CCOCC5)c4Cl)o3)CC2)n1,VCGBXDNTPOYTTJ-UHFFFAOYSA-N
-rxn:4:213226:225110,CC(C)(C)OC(=O)Oc1ccc(-c2cccc(-c3cnc([C@@H]4CCCN4C(=O)OC(C)(C)C)[nH]3)c2)cc1,XCXKLOFZNNMRJA-DEOSSOPVSA-N
-rxn:4:213239:226336,N#Cc1cc(-c2cncc(C(=O)N3CCN(C(=O)C4CC4c4ccc(F)cc4)CC3)c2)c(Cl)cc1C1CC1,NEPMVRYDHGKDAY-UHFFFAOYSA-N
-rxn:4:213251:222466,CN(Cc1ccccc1)c1ncc(S(=O)(=O)N2CCCCC2)cc1-c1cc(C2CCCCC2)nc(C2CCNCC2)c1,WIORGYONNQFPQA-UHFFFAOYSA-N
-rxn:4:213273:223839,COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cnccc1OC1CCN(C(=O)c2ccc(N3CCOCC3)cc2)C1,XMUWNEOJFJHACC-UHFFFAOYSA-N
-rxn:4:213273:224396,Cc1cc(-c2cnccc2OC2CCN(C(=O)c3ccc(N4CCOCC4)cc3)C2)ccc1S(=O)(=O)N1CCOCC1,JTLJIUXDQXTVMF-UHFFFAOYSA-N
-rxn:4:213281:223016,COC(=O)c1cc(-c2cccnc2OC2CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)CC2)cc2[nH]ccc12,YHUMYVXESYDDIY-UHFFFAOYSA-N
-rxn:4:213281:226629,Cc1nccn1-c1ccc(-c2cccnc2OC2CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)CC2)cn1,CUINXGWMXHHGEO-UHFFFAOYSA-N
-rxn:4:213320:225080,COC(=O)c1nc(-c2ccc3c(c2)CCC(C(=O)OC)O3)n2c1CN(C(=O)OC(C)(C)C)CC2,WFNVLWHFTBIQDI-UHFFFAOYSA-N
-rxn:4:213363:223645,CCOC(=O)C1CCCN(C(=O)c2cccc(-c3cncc(C(=O)N4CCC(Oc5nc6cc(OC)ccc6s5)CC4)c3)c2)C1,SWGUEWJUDUEPOR-UHFFFAOYSA-N
-rxn:4:213387:223502,CC(C)(C)OC(=O)N1CCC(Cn2cnc3cc(-c4ccc(C(=O)N5CCN(C(=O)OC(C)(C)C)CC5)c(F)c4)ccc32)CC1,MRGDGXJTROFIAQ-UHFFFAOYSA-N
-rxn:4:213388:222651,CC(C)(C)OC(=O)N1CCC(Cn2ccc3c(-c4cc(C(=O)NC5CCCCC5)ccc4F)ccnc32)CC1,CBNLCNOEBKTXLD-UHFFFAOYSA-N
-rxn:4:213395:223001,O=C(Cn1ccc2ccc(-c3cc(C4CCCNC4)ccc3F)cc21)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1,VXBMPUJMRJJYOY-UHFFFAOYSA-N
-rxn:4:213626:223592,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnn(C4CN(C(=O)OC(C)(C)C)C4)c3)c(Cl)c2)CC1,DWBOTIVEOMXOOW-UHFFFAOYSA-N
-rxn:4:213626:223593,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnn(C4CN(C(=O)OC(C)(C)C)C4)c3)cc2Cl)CC1,KZWYSUNCYBNJOT-UHFFFAOYSA-N
-rxn:4:213655:224011,CN1CCN(S(=O)(=O)c2ccc(-c3cnn(CC4CN(CC5CCC5)C4)c3)cc2F)CC1,VHSJRZAUTOYWNO-UHFFFAOYSA-N
-rxn:4:213685:224011,CN1CCN(S(=O)(=O)c2ccc(-c3cnn(CC4CN(CC5CCOC5)C4)c3)cc2F)CC1,HFKVPOQFILSFOV-UHFFFAOYSA-N
-rxn:4:213713:223491,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cnc([C@@H]4CCCN4C(=O)OC(C)(C)C)[nH]3)cc(C(F)(F)F)c2)CC1,OZHXVBYNOFMDQW-QFIPXVFZSA-N
-rxn:4:213759:223592,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(C4CCCN4C(=O)OC(C)(C)C)cn3)c(Cl)c2)CC1,WHHPSDOTOZFSNT-UHFFFAOYSA-N
-rxn:4:213765:223777,CC(C)(C)OC(=O)N1CCc2c(ccc(-c3cncc(C4CCN(C(=O)OC(C)(C)C)C4)n3)c2F)C1,HFNQIIHFKAPEPL-UHFFFAOYSA-N
-rxn:4:213766:223502,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3coc(N4CCN(C(=O)OC(C)(C)C)CC4)n3)cc2F)CC1,DSYRRPDOZOFTOY-UHFFFAOYSA-N
-rxn:4:213766:225901,Cc1nn(C(=O)OC(C)(C)C)cc1-c1coc(N2CCN(C(=O)OC(C)(C)C)CC2)n1,XHKYMPXRZFUPRN-UHFFFAOYSA-N
-rxn:4:213778:224397,CCN1CCN(c2ccc(-c3ccc(S(=O)(=O)N4CCC(=O)CC4)cc3)c(C(=O)OC)n2)CC1,LKCMJYILQRICOQ-UHFFFAOYSA-N
-rxn:4:213798:223945,CC(C)(C)OC(=O)N1CCOC(c2cnc(-c3ccc(OCCCN4CCOCC4)c(F)c3)cn2)C1,LAQLJRJCNGVETH-UHFFFAOYSA-N
-rxn:4:213798:225883,CC(C)(C)OC(=O)N1CCOC(c2cnc(-c3cnc(C4CCOCC4)c(Cl)c3)cn2)C1,XORJJGMGGRYZIF-UHFFFAOYSA-N
-rxn:4:213800:225975,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:4:213801:224277,CC(C)(C)OC(=O)N1CCOC(c2cncc(-c3ccnc4c3ccn4C(=O)OC(C)(C)C)n2)C1,DCMHXWCBPBCYBW-UHFFFAOYSA-N
-rxn:4:213817:222546,Cc1nc(C)c(C(=O)N2CCC(Oc3ccncc3-c3ccc(OCCNC4CCCCC4)c(F)c3)C2)s1,MDKDEYZNURYGDH-UHFFFAOYSA-N
-rxn:4:213868:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3cnc(OC4CCCN(S(=O)(=O)c5cccc(Cl)c5)C4)nc3)cc2)CC1,MSZJVLZZVZDTBD-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:4:213871:223998,CC1CCN(S(=O)(=O)c2ccc(-c3cnc(OC4CCCN(S(=O)(=O)c5ccc(F)c(F)c5)C4)nc3)cc2F)CC1,IGFZVIKJHIYPHR-UHFFFAOYSA-N
-rxn:4:213879:224718,CC(C)(C)OC(=O)N1CCN(c2cccnc2-c2ccc(OCCN3CCOCC3)nc2)CC1,BYKKALHXIYHBHX-UHFFFAOYSA-N
-rxn:4:213883:223602,Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)sc1-c1ccnc(N2CCN(C(=O)OC(C)(C)C)CC2)c1Cl,VKDHLTWLHBEBNA-UHFFFAOYSA-N
-rxn:4:213883:224158,Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)sc1-c1ccc2c(ccn2C(=O)OC(C)(C)C)c1,CYQKBLMVLBVWME-UHFFFAOYSA-N
-rxn:4:213884:224805,CCOC(=O)c1cc(-c2nccc(C3CCN(C(=O)OC(C)(C)C)CC3)n2)cc(C(F)(F)F)c1,KTDGIOSAZVNSIY-UHFFFAOYSA-N
-rxn:4:213887:225984,CC(C)(C)OC(=O)N1CCC(c2cnc(-c3cnc(Cl)c(N4CCOCC4)c3)nc2)CC1,RFGQTFKWZAWYCE-UHFFFAOYSA-N
-rxn:4:213888:223596,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)ccc2-c2cncc(C3CCCN(C(=O)OC(C)(C)C)C3)n2)CC1,OOWBNLMSCMWBRQ-UHFFFAOYSA-N
-rxn:4:213889:225313,CN1CCN(c2ccc(-c3cc(C4CCCN(C(=O)OC(C)(C)C)C4)ncn3)c(F)n2)CC1,OALLNHZJQRDNGX-UHFFFAOYSA-N
-rxn:4:213894:225975,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccnc(N4CCOCC4)c3Cl)cn2)CC1,XLFFFXPRBAPFQH-UHFFFAOYSA-N
-rxn:4:213898:222634,CC(C)(C)C(=O)N1CCC(Oc2ncc(-c3ccc(OCCNC4CCCC4)c(F)c3)cn2)CC1,HNKYQYPPTVVGRT-UHFFFAOYSA-N
-rxn:4:213898:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnc(OC4CCN(C(=O)C(C)(C)C)CC4)nc3)c(F)c2)CC1,FIOKXMSUBVDOBA-YHBQERECSA-N
-rxn:4:213910:222893,CCOC(=O)c1n[nH]c2cc(-c3cccnc3OC3CCN(S(=O)(=O)N4CCOCC4)C3)ccc12,JEKFVMMFJYCHSZ-UHFFFAOYSA-N
-rxn:4:213928:223832,COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1-c1ccccc1C(=O)N1CCCC(Oc2ccnc(C)n2)C1,RUSXPCOPAGOAJM-UHFFFAOYSA-N
-rxn:4:213928:224327,Cc1nccc(OC2CCCN(C(=O)c3ccccc3-c3cccc(S(=O)(=O)N4CCCC(C)C4)c3)C2)n1,VWVCRDHGUSWFDK-UHFFFAOYSA-N
-rxn:4:213942:223761,Cc1nn(C2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccc(C2CCCN2C(=O)OC(C)(C)C)cc1,JVLXYVKAARRURG-UHFFFAOYSA-N
-rxn:4:213944:224561,Cc1c(O[Si](C)(C)C(C)(C)C)cccc1-c1cnc(C2CCN(C(=O)OC(C)(C)C)CC2C)[nH]1,IVKCQGPBUGWKKW-UHFFFAOYSA-N
-rxn:4:213944:226865,CC1CN(C(=O)OC(C)(C)C)CCC1c1ncc(-c2ccc(Cl)c(OC(F)(F)F)c2)[nH]1,BMEABJWIAIEOPH-UHFFFAOYSA-N
-rxn:4:213960:223728,CCCCCC1CCC(c2ccc(-c3cccnc3N3CCC(COc4ccncc4C)CC3)c(F)c2)CC1,DRIDRSGNPHHCRH-UHFFFAOYSA-N
-rxn:4:213971:226236,CCCCOc1ncc(C)cc1-c1cc(C(F)(F)F)cnc1N1CCOC(C(=O)N2CCOCC2)C1,BYHSDDLUEUMCAX-UHFFFAOYSA-N
-rxn:4:213972:228089,CCCOc1ncccc1-c1cnc(N2CCOC(C(=O)N3CCOCC3)C2)c(C(F)(F)F)c1,YDAQJEHVACHGBS-UHFFFAOYSA-N
-rxn:4:213973:222619,O=C(NCc1ccc(-c2cc(C(F)(F)F)cnc2N2CCOC(C(=O)N3CCSCC3)C2)cc1)C1CCCCC1,FTOZFUVEBLVUHX-UHFFFAOYSA-N
-rxn:4:213973:226236,CCCCOc1ncc(C)cc1-c1cc(C(F)(F)F)cnc1N1CCOC(C(=O)N2CCSCC2)C1,AVSKBOANSZAMQJ-UHFFFAOYSA-N
-rxn:4:213974:224371,COC(=O)C1CCN(c2ncc(-c3cccc(N4CCCN(C(=O)OC(C)(C)C)CC4)n3)cn2)CC1,BWVHWWAXEHNQKD-UHFFFAOYSA-N
-rxn:4:213980:223121,CC1CN(C(=O)OC(C)(C)C)CCC1c1nccc(-c2ccc(C(=O)NC3CC3)cc2)n1,GXKBWALFJKKMEJ-UHFFFAOYSA-N
-rxn:4:213985:223576,Cc1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)c(-c2cccc(OC3CCN(C(=O)OC(C)(C)C)CC3)c2)c1,SJOCPHOHFLLZQM-UHFFFAOYSA-N
-rxn:4:213990:224621,Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1-c1ccc(OCCN2CCSCC2)cc1,JSTAFAJMXBDVSO-UHFFFAOYSA-N
-rxn:4:214012:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3ccccc3S(=O)(=O)N3CCC(S(=O)(=O)c4nccn4C)CC3)cc2)CC1,HACHWOMKMQWILK-UHFFFAOYSA-N
-rxn:4:214014:223220,O=C(c1cncc(-c2ccc(NCC3CC3)nc2)c1)N1CCCSCC1CN1CCCC1,IKXHNLYRKKCSGV-UHFFFAOYSA-N
-rxn:4:214018:223970,CC(=O)N1N=C(c2ccc(-c3ccc(C)c(S(=O)(=O)N4CCC(C)CC4)c3)cc2)CC1c1ccc(N(C)C)cc1,QWTRUYUNDKRNJA-UHFFFAOYSA-N
-rxn:4:214027:228089,CCCOc1ncccc1-c1cnc(N2CCCC(C(=O)N3CCOCC3)C2)c(C(F)(F)F)c1,OQVUGFWUBACMMX-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:4:214038:222854,COc1ccc(C2CCCNC2)cc1-c1cnc(OC2CCCN(S(=O)(=O)c3ccc(C)c(C)c3)C2)nc1,FNLZXCYDRWHRDW-UHFFFAOYSA-N
-rxn:4:214059:224371,COC(=O)C1CCN(c2ncc(-c3ccc(N4CCC5(CC4)CN(C(=O)OC(C)(C)C)C5)nc3)cn2)CC1,VIFGEGFCNKTXPN-UHFFFAOYSA-N
-rxn:4:214074:222788,Cc1nn(S(=O)(=O)c2ccc(-c3ccc(NC(=O)OC(C)(C)C)cc3F)cc2)c(C)c1S(=O)(=O)N1CCCC(C)C1,RIBWGBRVUTVWGI-UHFFFAOYSA-N
-rxn:4:214074:223845,Cc1nn(S(=O)(=O)c2ccc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCN(C)CC3)cc2)c(C)c1S(=O)(=O)N1CCCC(C)C1,SOSGUJWPIZVDMF-UHFFFAOYSA-N
-rxn:4:214179:223823,CC(C)(C)OC(=O)N1CCC(n2cc(-c3ccn4cnc(C5CN(C(=O)OC(C)(C)C)C5)c4c3)cn2)CC1,ROKDHFMYAPVZJB-UHFFFAOYSA-N
-rxn:4:214180:223637,CC(C)(C)OC(=O)N1CC(c2cc3ccc(-c4ccccc4C4CCCN(C(=O)OC(C)(C)C)C4)cn3n2)C1,IENHOWCOTMVUBB-UHFFFAOYSA-N
-rxn:4:214181:222634,CCCC(=O)N1CCN(c2nc3ccc(-c4ccc(OCCNC5CCCC5)c(F)c4)cc3s2)CC1,YKVGGGRIXBEZKF-UHFFFAOYSA-N
-rxn:4:214220:223520,CC(c1ccc(-c2ccc3[nH]c(C4CCCN4C(=O)OC(C)(C)C)nc3c2)cc1)N1CCN(C(=O)OC(C)(C)C)CC1,PEOLQZPORJYPAE-UHFFFAOYSA-N
-rxn:4:214308:224326,Cc1cc(-c2ccc3c(c2)sc(=NC(=O)c2ccc(S(=O)(=O)N4CCCC4)cc2)n3C)ccc1S(=O)(=O)N1CCCCC1,ZZZARWOGUWASQJ-UHFFFAOYSA-N
-rxn:4:214342:225048,Cc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(-c4ccc(N5CCN(C)CC5)cc4C)cc3)CC2)c2ccccc2n1,RIHPMBCPYYIMJL-UHFFFAOYSA-N
-rxn:4:214347:222890,COc1cc(-c2ccc3c(c2)sc(=NC(=O)c2ccc(S(=O)(=O)N4CCCCC4)cc2)n3C)cc(C2CCCNC2)n1,RWZZOLQUBMLSRZ-UHFFFAOYSA-N
-rxn:4:214645:223523,CCN1CCN(S(=O)(=O)c2ccc(-c3ncc(OCC4CCN(C)CC4)cn3)c3ccccc23)CC1,RNYJRJUAMTZMSZ-UHFFFAOYSA-N
-rxn:4:214663:224718,Cn1ncc(-c2ccc(OCCN3CCOCC3)nc2)c1C(=O)N1CCCC(C(F)(F)F)C1,UZLAMJIUMACXST-UHFFFAOYSA-N
-rxn:4:214678:223812,CCN1CCN(C(=O)c2cc(-c3cc(F)cc(CN4CCC5(CC4)OCCO5)c3)cnc2Cl)CC1,ZIAVWHLPZZCRFT-UHFFFAOYSA-N
-rxn:4:214681:223602,Cn1cc(-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2Cl)c(CN2CCCCC2C(F)(F)F)n1,DESNAAXNXLKUQG-UHFFFAOYSA-N
-rxn:4:214713:222584,O=C(C1CC1)N1CCN(c2ccncc2-c2ccc(OCCCN3CCNCC3)c(F)c2)CC1,HUEIIEVLVRUSES-UHFFFAOYSA-N
-rxn:4:214730:223835,Cc1cc(F)c(-c2ccc(N3CCN(S(=O)(=O)C4CC4)CC3)nc2)cc1S(=O)(=O)N1CCC(C)CC1,WUZUTDXFSGJGLV-UHFFFAOYSA-N
-rxn:4:214730:223993,Cc1cc(-c2ccc(N3CCN(S(=O)(=O)C4CC4)CC3)nc2)ccc1S(=O)(=O)N1CCN(C)CC1,IKYRWEQRRVICMM-UHFFFAOYSA-N
-rxn:4:214773:224155,CC(C)N1CCN(S(=O)(=O)c2cncc(-c3cc(C4CC4)cc(N4CCN(C)CC4)c3)c2)CC1,DNKGDFSATXRZQI-UHFFFAOYSA-N
-rxn:4:214787:223572,CC1CCN(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCN(c5ccccn5)C(=O)C4)cc3)c3ccccc23)CC1,VHJHGUAJMHCSQD-UHFFFAOYSA-N
-rxn:4:214805:225544,COc1ccc(-c2ccc(N3CCCN(S(=O)(=O)C4CC4)CC3)nc2)cc1OCC(C)C,AHCGYOABMRELMG-UHFFFAOYSA-N
-rxn:4:214818:224368,CN(C(=O)OC(C)(C)C)c1cc(-c2cnc(N3CCN(C(=O)C4CCCO4)CC3)c(Cl)c2)cnc1Cl,FWIPMOYYRNGFBL-UHFFFAOYSA-N
-rxn:4:214818:226236,CCCCOc1ncc(C)cc1-c1cnc(N2CCN(C(=O)C3CCCO3)CC2)c(Cl)c1,WPBAFHMGNUWCKS-UHFFFAOYSA-N
-rxn:4:214818:226554,CCCOc1cc(F)c(-c2cnc(N3CCN(C(=O)C4CCCO4)CC3)c(Cl)c2)cc1F,QQQUHMRNSPMOOR-UHFFFAOYSA-N
-rxn:4:214820:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2cnc(N3CCOC(C(=O)N4CCCC4)C3)c(F)c2)CC1,OQRPSLZOMBBLKX-UHFFFAOYSA-N
-rxn:4:214820:224496,CCN1CCN(Cc2cccc(-c3cnc(N4CCOC(C(=O)N5CCCC5)C4)c(F)c3)c2)CC1,UYJRIJUFZZBALA-UHFFFAOYSA-N
-rxn:4:214829:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cccnc3N3CCOC(C(=O)N4CCSCC4)C3)ccn2)CC1,REPFQXCDHWIVKA-UHFFFAOYSA-N
-rxn:4:214829:224196,CCN1CCN(Cc2cc(F)cc(-c3cccnc3N3CCOC(C(=O)N4CCSCC4)C3)c2)CC1,SPRWRKQJTZIMEX-UHFFFAOYSA-N
-rxn:4:214835:225518,CCCCCOc1ncc(C)cc1-c1cc(Cl)cnc1N1CCOC(C(=O)N2CCOCC2)C1,OHJUCFRUWTZJHI-UHFFFAOYSA-N
-rxn:4:214836:226259,CCCCOc1ccc(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCSCC3)C2)cc1Cl,PQCGRXHFOHSKGM-UHFFFAOYSA-N
-rxn:4:214836:227480,CCCOc1nccc(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCSCC3)C2)c1Cl,LFCZUPNPHDCQJC-UHFFFAOYSA-N
-rxn:4:214839:222584,O=C(C1CN(c2ncc(-c3ccc(OCCCN4CCNCC4)c(F)c3)cc2F)CCO1)N1CCSCC1,RBCDAFBTBHWGHG-UHFFFAOYSA-N
-rxn:4:214852:224686,O=C(c1ccc(-c2cncc(C(=O)N3CCC(N4CCCC4)CC3)c2)c(F)c1)N1CCCCC1,KCJWMLZMIPFJRK-UHFFFAOYSA-N
-rxn:4:214862:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cncc(C(=O)N4CCCN(C5CCSC5)CC4)c3)c2Cl)CC1,IRUAIVQGOAXYBZ-UHFFFAOYSA-N
-rxn:4:214862:223787,CN1CCN(CCCOc2ccc(-c3cncc(C(=O)N4CCCN(C5CCSC5)CC4)c3)cc2F)CC1,SKTORJVVJQBEIC-UHFFFAOYSA-N
-rxn:4:214865:222869,CC(C)CNC(=O)c1cc(-c2cccnc2N2CCCC(C(=O)N3CCOCC3)C2)ccc1F,VWJLWFCTPHBNPV-UHFFFAOYSA-N
-rxn:4:214866:222546,O=C(C1CCCN(c2ccc(-c3ccc(OCCNC4CCCCC4)c(F)c3)cn2)C1)N1CCOCC1,UXBKFYCOQLNIMY-UHFFFAOYSA-N
-rxn:4:214867:222584,Cc1cc(-c2ccc(OCCCN3CCNCC3)c(F)c2)cnc1N1CCOC(C(=O)N2CCCC2)C1,GFLDTFTYSUQWNO-UHFFFAOYSA-N
-rxn:4:214868:225518,CCCCCOc1ncc(C)cc1-c1cccnc1N1CCOC(C(=O)N2CCCCC2)C1,UGPPVKMQPRMCFW-UHFFFAOYSA-N
-rxn:4:214870:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cc(Cl)cnc3N3CCCC(C(=O)N4CCOCC4)C3)c2Cl)CC1,UAOROQPMUQZNSP-UHFFFAOYSA-N
-rxn:4:214870:223696,O=C(C1CCCN(c2ncc(Cl)cc2-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc2)C1)N1CCOCC1,LOJNAAHLTSVYLT-UHFFFAOYSA-N
-rxn:4:214871:224196,CCN1CCN(Cc2cc(F)cc(-c3cnc(N4CCCC(C(=O)N5CCOCC5)C4)c(Cl)c3)c2)CC1,JGRSIGPQUVTLHG-UHFFFAOYSA-N
-rxn:4:214873:225518,CCCCCOc1ncc(C)cc1-c1cnc(N2CCCC(C(=O)N3CCOCC3)C2)c(F)c1,XLMSCODEOFGKCP-UHFFFAOYSA-N
-rxn:4:214873:226255,CCCCOc1ccc(Cl)cc1-c1cnc(N2CCCC(C(=O)N3CCOCC3)C2)c(F)c1,HSIKIZFLILYTJM-UHFFFAOYSA-N
-rxn:4:215102:222948,CC(C)(C)OC(=O)N1CCc2nc(-c3cnc(N4CCC(O)CC4)nc3Cl)cn2CC1,BCQLQLODIUAUCJ-UHFFFAOYSA-N
-rxn:4:215103:222636,C[C@@H](NC(=O)OC(C)(C)C)c1ccc(-c2cn3c(n2)CN(C(=O)OC(C)(C)C)CCC3)cc1,OYLCAIZYFYMGCU-QGZVFWFLSA-N
-rxn:4:215148:224159,CC(C)(C)OC(=O)N1Cc2cnc(-c3cccc4c3ccn4C(=O)OC(C)(C)C)n2CC1(C)C,NFBCBFYLUQISNY-UHFFFAOYSA-N
-rxn:4:215148:225113,CC(C)(C)OOC(=O)c1cccc(-c2ncc3n2CC(C)(C)N(C(=O)OC(C)(C)C)C3)c1,QKZDYIYHHYBDJS-UHFFFAOYSA-N
-rxn:4:215183:223992,Cc1ccc(-c2cncc(C(=O)N3CC(N4CCc5ccccc5C4)C3)c2)cc1S(=O)(=O)N1CCN(C)CC1,VVHLUEHHHWCUCO-UHFFFAOYSA-N
-rxn:4:215189:225313,CN1CCN(c2ccc(-c3ccc4nc(N5CCN(C(=O)C(C)(C)C)CC5)sc4c3)c(F)n2)CC1,HBGBWXSLMSSFGU-UHFFFAOYSA-N
-rxn:4:215197:222700,O=S(=O)(c1ccccc1-c1ccc(C(F)(F)F)cc1C1CCCNC1)N1CCC2CN(c3ccccn3)CC21,VWKJDHLRYSRGCR-UHFFFAOYSA-N
-rxn:4:215197:222719,O=S(=O)(c1ccccc1-c1cc(C2CCCNC2)nc(C(F)(F)F)c1)N1CCC2CN(c3ccccn3)CC21,GBMSORCFUQSKBA-UHFFFAOYSA-N
-rxn:4:215198:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc4nc(N5CCOC(C(=O)N6CCOCC6)C5)sc4c3)c(F)c2)CC1,MSKHYABRZVFEOV-SOHZNPICSA-N
-rxn:4:215301:226652,Cc1cc(-c2ccc3c(c2)C2CC(c4ccccc4)=NN2C2(CCN(Cc4ccccc4)CC2)O3)n(C2CCCCO2)n1,MSZWXQDKHFYSOT-UHFFFAOYSA-N
-rxn:4:215304:226382,Cc1ccc(C2=NN3C(C2)c2cc(-c4cnc(C5CCCCC5)nc4)ccc2OC32CCN(Cc3ccccc3)CC2)cc1,AWQCGOJXJGLSRE-UHFFFAOYSA-N
-rxn:4:215741:223542,CN1CCN(S(=O)(=O)c2cc(-c3c(C(=O)N4CCC(F)(F)C4)cnn3C)ccc2OC(F)(F)F)CC1,XOZHYNKKEVOGNJ-UHFFFAOYSA-N
-rxn:4:215855:222584,CC(=O)N1CCN(c2ccc(-c3ccc(OCCCN4CCNCC4)c(F)c3)cn2)CC1,DTYYPSJZLZNSNU-UHFFFAOYSA-N
-rxn:4:215891:224322,CC1CCN(S(=O)(=O)c2ccc(-c3cc(N4CCN(C)CC4)ccc3[N+](=O)[O-])cc2)CC1,HCVRWUBJDFNJMW-UHFFFAOYSA-N
-rxn:4:215947:223480,Cc1cc(-c2nc(N3CCCC3)cc(C(C)(C)C)n2)cc(C)c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,IXXRTEPNUQXURV-UHFFFAOYSA-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:4:215956:223993,Cc1cc(-c2cncc(N3CCC(N(C)C)CC3)c2)ccc1S(=O)(=O)N1CCN(C)CC1,FEIBZCSFPWTLHA-UHFFFAOYSA-N
-rxn:4:215981:224011,CN1CCN(S(=O)(=O)c2ccc(-c3nc(N4CCCCC4)cc(C(C)(C)C)n3)cc2F)CC1,DPLKJHUDPUTJPL-UHFFFAOYSA-N
-rxn:4:215983:223835,Cc1cc(N2CCN(C(C)C)CC2)ncc1-c1cc(S(=O)(=O)N2CCC(C)CC2)c(C)cc1F,QFJOJLBCFKDSCH-UHFFFAOYSA-N
-rxn:4:216055:223520,CC(c1ccc(-c2cnc3cnn(CC(F)(F)F)c3c2)cc1)N1CCN(C(=O)OC(C)(C)C)CC1,ORBHSDZQTUEYQV-UHFFFAOYSA-N
-rxn:4:216110:223505,CC(C)c1cc([N+](=O)[O-])c2c(-c3ccc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)cc3)[nH]nc2c1,HTBNFNHEHUZVDX-UHFFFAOYSA-N
-rxn:4:216262:224082,CCC(C(=O)OC(C)(C)C)c1cccc(-c2cc(-n3nc(C)c4c3CC(C)(C)CC4=O)ccc2C#N)c1,IWMZKZJLDBJLSS-UHFFFAOYSA-N
-rxn:4:217110:223696,CN1CCN(c2nc(-c3ccc(S(=O)(=O)N4CCC5(CC4)OCCO5)cc3)cs2)CC1,BDPYXWGXRXWDJT-UHFFFAOYSA-N
-rxn:4:217173:223505,CC1CCCN(c2ccnc(-c3ccc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)cc3)n2)C1,LDJIWJBPQRQOCL-UHFFFAOYSA-N
-rxn:4:217865:223815,C=C1CC2CCC(C1)N2c1ncc(-c2ccc(Cl)c(CN3CCC4(CC3)OCCO4)c2)cn1,YXLHNGGLQPSMQR-UHFFFAOYSA-N
-rxn:4:218567:222426,CN(CC1CN(C(=O)OC(C)(C)C)C1)c1cnc(-c2ccc3c(c2)C2(CCN(C(=O)OC(C)(C)C)CC2)C(=O)N3)cn1,WLWWSOGSSZBBME-UHFFFAOYSA-N
-rxn:4:218567:224720,CN(CC1CN(C(=O)OC(C)(C)C)C1)c1cnc(-c2cn(C(=O)OC(C)(C)C)nc2C2CC2)cn1,KSCAXJSXZOZCQM-UHFFFAOYSA-N
-rxn:4:218581:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1cnc(OCC2CCN(C(=O)Cc3cccnc3)CC2)nc1,LZXFUDQOWPRDAW-UHFFFAOYSA-N
-rxn:4:218587:223056,N#Cc1ccc(S(=O)(=O)N2CCC(COc3ncc(-c4ccc(N5CCC(O)CC5)nc4)cn3)CC2)cc1,NGNXQPGITKIRLR-UHFFFAOYSA-N
-rxn:4:218589:225597,N#Cc1ccc(S(=O)(=O)N2CCCC(COc3ncc(-c4ccc(OC5CCCCC5)nc4)cn3)C2)cc1,VGSDNTCZYDRXSX-UHFFFAOYSA-N
-rxn:4:218589:225828,N#Cc1ccc(S(=O)(=O)N2CCCC(COc3ncc(-c4cnc(N5CCCCCC5)nc4)cn3)C2)cc1,ICZWKICJNCAUCH-UHFFFAOYSA-N
-rxn:4:218604:225172,COc1ccc(C(=O)N2CCC(COc3ncc(-c4cc(CN5CCOCC5)ccc4F)cn3)CC2)cn1,HKJSCOFPABDBKN-UHFFFAOYSA-N
-rxn:4:218618:223812,COc1ccc(CCC(=O)N2CCC(n3ccnn3)CC2)cc1-c1cc(F)cc(CN2CCC3(CC2)OCCO3)c1,CYWNWQYMAZUURU-UHFFFAOYSA-N
-rxn:4:218620:224759,O=C(c1cc(F)cc(-c2cnc(OCC3CCCN(Cc4csc(C5CC5)n4)C3)nc2)c1)N1CCOCC1,AZJMNYBTSJFKSQ-UHFFFAOYSA-N
-rxn:4:218652:223940,CN(CC1CCN(C(=O)OC(C)(C)C)CC1)c1cnc(-c2ccc3c(c2)OCCN3C(=O)OC(C)(C)C)cn1,VVQYKVRMXVVBMW-UHFFFAOYSA-N
-rxn:4:218666:224759,CC(C)(C)c1ccc(OCC2CCN(C(=O)c3cncc(-c4cc(F)cc(C(=O)N5CCOCC5)c4)c3)C2)nn1,LZOZPRXUUDTXDP-UHFFFAOYSA-N
-rxn:4:218698:222833,CC(C)CCC(=O)Nc1cccc(-c2ccc(N3CC(C(=O)N4CCN(CCc5ccncc5)CC4)CC3=O)cc2)c1,CPHZVYMZPUXKQY-UHFFFAOYSA-N
-rxn:4:218704:223520,Cc1cc(Cl)ccc1OCC(=O)N1CCCN(c2cc(-c3ccc(-c4ccc(C(C)N5CCN(C(=O)OC(C)(C)C)CC5)cc4)cc3)n[nH]2)CC1,AFONUENDMIYLNQ-UHFFFAOYSA-N
-rxn:4:218711:224720,CC(C)(C)OC(=O)N1CCN(C2CCN(c3ccc([N+](=O)[O-])cc3-c3cn(C(=O)OC(C)(C)C)nc3C3CC3)CC2)CC1,FELCNSSGEPEOKA-UHFFFAOYSA-N
-rxn:4:218714:224819,Cc1cc(C)c(S(=O)(=O)N2CCN(C(=O)CCn3nc(C)c(-c4ccc(S(=O)(=O)N5CCOCC5)cc4)c3C)CC2)c(C)c1,LHPMGGKQFKXIMK-UHFFFAOYSA-N
-rxn:4:218714:228265,CC(=O)c1cc(-c2c(C)nn(CCC(=O)N3CCN(S(=O)(=O)c4c(C)cc(C)cc4C)CC3)c2C)ccc1Cl,YMEDORFQUZZUTQ-UHFFFAOYSA-N
-rxn:4:218716:226716,COC(=O)Cn1c(=O)c2c(nc(-c3ccn(C(=O)OC(C)(C)C)n3)n2CC(=O)OC)n(C)c1=O,HKIHGEVHIPOGHD-UHFFFAOYSA-N
-rxn:4:218768:226643,COc1ccc(CCC(=O)N2Cc3cnc(N4CCOCC4)nc3C2)cc1-c1ccc(N2CCOCC2)nc1,BJIQVNQAZFYTOM-UHFFFAOYSA-N
-rxn:4:218883:222714,CC(C)(C)OC(=O)Nc1cc(F)c(F)c(-c2cnc(OCC3CCCN(C(=O)c4cccnc4)C3)nc2)c1,BBWZEQFBNHWUHY-UHFFFAOYSA-N
-rxn:4:218887:223812,Cc1oncc1C(=O)N1CCC(COc2ncc(-c3cc(F)cc(CN4CCC5(CC4)OCCO5)c3)cn2)CC1,RJTHKNOFVWJYNI-UHFFFAOYSA-N
-rxn:4:218889:224196,CCN1CCN(Cc2cc(F)cc(-c3cnc(OCC4CCCN(C(=O)c5cc(C)on5)C4)nc3)c2)CC1,HSBDLXFHOGJHAX-UHFFFAOYSA-N
-rxn:4:218889:224592,Cc1cc(C(=O)N2CCCC(COc3ncc(-c4cc(C5(C#N)CCCCC5)ccc4F)cn3)C2)no1,VRNMECZDUFMSHQ-UHFFFAOYSA-N
-rxn:4:218970:224672,CCN1CCN(c2ccc(-c3cnc(OCC4CCCN(C(=O)c5c(C)noc5C)C4)nc3)c(Cl)c2)CC1,VLZSOQAVWXZXOT-UHFFFAOYSA-N
-rxn:4:218970:225172,Cc1noc(C)c1C(=O)N1CCCC(COc2ncc(-c3cc(CN4CCOCC4)ccc3F)cn2)C1,CUMZULWXMFONTJ-UHFFFAOYSA-N
-rxn:4:218974:224753,Cc1cc(OCC2CCN(c3ncc(-c4cc(S(=O)(=O)N5CCCC5)ccc4C)cc3C#N)CC2)ccn1,IBEJFIUBXKWLAR-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:4:218993:224162,Cc1nc(C)c(CN2CCC(COc3ncc(-c4ccc5c(c4)N(C(=O)OC(C)(C)C)CC5)cn3)CC2)s1,ZCLOIWGLUAFGFH-UHFFFAOYSA-N
-rxn:4:219002:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnc(OCC4CCCN(C(=O)c5cccn(C)c5=O)C4)nc3)c(F)c2)CC1,URTVEGLQDNJZLG-PECFQXNXSA-N
-rxn:4:219011:223520,CC(c1ccc(-c2cnc(N(C)C3CCN(C(=O)OC(C)(C)C)CC3)cn2)cc1)N1CCN(C(=O)OC(C)(C)C)CC1,OTZAJUUDYQEQGY-UHFFFAOYSA-N
-rxn:4:219028:226539,CCOC(=O)c1ccc(Cl)cc1-c1c(C(=O)N2CCN(C(=O)OC(C)(C)C)C(C)C2)cnn1C,GKXJVSFSOYFKIR-UHFFFAOYSA-N
-rxn:4:219046:224672,CCN1CCN(c2ccc(-c3cnc(OCC4CCCN(C5CCN(C6CC6)C5=O)C4)nc3)c(Cl)c2)CC1,CICKNRIXQRNFIO-UHFFFAOYSA-N
-rxn:4:219048:222628,O=S(=O)(c1ccc(-c2cc(C3CCC3)nc(C3CCCNC3)c2)cc1)N1CCC(N(c2ccncn2)C2CC2)CC1,QAHOFTUSOBMCGY-UHFFFAOYSA-N
-rxn:4:219053:225976,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cncc(-c4ccnc(N5CCOCC5)c4F)c3)cn2)CC1,WQQINHZWMYPZPF-UHFFFAOYSA-N
-rxn:4:219120:222546,O=C(c1cncc(-c2ccc(OCCNC3CCCCC3)c(F)c2)c1)N1CC2CCCC2(COc2ncc(F)cn2)C1,XAVDOEBQMSUSAW-UHFFFAOYSA-N
-rxn:4:219129:223649,CC(C)(C)OC(=O)N1CCN(c2cccc(-c3cnc(OCC4CCCN(Cc5nc6c(s5)CCC6)C4)nc3)c2)CC1,AZOJJUBUPDKGDE-UHFFFAOYSA-N
-rxn:4:219155:225748,Cc1cnc(OCC23CCCC2CN(C(=O)c2cncc(-c4ccncc4OCC4CCCO4)c2)C3)nc1,RDWHVNDUEZKRLW-UHFFFAOYSA-N
-rxn:4:219243:222787,CC(C)(C)OC(=O)Nc1ccc(-c2ncn(C3CN(C(=O)OC(C)(C)C)C3)n2)c(Cl)c1,ZZUKOVFTKPDNSV-UHFFFAOYSA-N
-rxn:4:219353:225232,CC1CCN(c2cc(-c3cnc(OC4CCN(S(=O)(=O)N(C)C)CC4)nc3)cnc2Cl)CC1,OKQPWQYHKDVBRW-UHFFFAOYSA-N
-rxn:4:219353:225631,CN1CCN(c2ccc(-c3cnc(OC4CCN(S(=O)(=O)N(C)C)CC4)nc3)cc2)CC1,ZTWYPGOMQABTCO-UHFFFAOYSA-N
-rxn:4:219364:222546,O=C(c1cncc(-c2ccc(OCCNC3CCCCC3)c(F)c2)c1)N1CCCC(Oc2ncc(Cl)cn2)C1,VCYJONAKEPAYFX-UHFFFAOYSA-N
-rxn:4:219371:223648,CC(C)(C)OC(=O)N1CCC(n2cnnc2-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2)CC1,SHNMGAGCWMJLMJ-UHFFFAOYSA-N
-rxn:4:219371:223880,Cc1ccc2c(c1)cc(-c1nncn1C1CCN(C(=O)OC(C)(C)C)CC1)n2C(=O)OC(C)(C)C,VSRVYOCEVWHYIC-UHFFFAOYSA-N
-rxn:4:219383:223929,CC(C)(C)OC(=O)N1CCc2cc(-c3cnc(OCC4CCCN(c5ccncc5Cl)C4)nc3)cnc2C1,RZRDZTHYWHVLDA-UHFFFAOYSA-N
-rxn:4:219388:224973,CN1CCN(Cc2cccc(-c3ccc(C(=O)N4CCCN(S(=O)(=O)c5c[nH]cn5)CC4)o3)c2)CC1,DTXRXCMGNBOEJJ-UHFFFAOYSA-N
-rxn:4:219388:224974,CN1CCN(Cc2ccccc2-c2ccc(C(=O)N3CCCN(S(=O)(=O)c4c[nH]cn4)CC3)o2)CC1,IEWHKFKIWOWOKN-UHFFFAOYSA-N
-rxn:4:219403:223951,CN1CCN(CCOc2ccc(-c3cnn(CC4CN(C5CCN(C6CC6)C5=O)C4)c3)cc2F)CC1,GGAIDTXWGIZINH-UHFFFAOYSA-N
-rxn:4:219410:225072,CCOC(=O)c1cc2c(-c3cnc(OC4CCN(S(=O)(=O)N5CCOCC5)C4)nc3)cccc2s1,GEDQPSXZKPGKIR-UHFFFAOYSA-N
-rxn:4:219410:225252,CCOC(=O)c1cn2cc(-c3cnc(OC4CCN(S(=O)(=O)N5CCOCC5)C4)nc3)ccc2n1,SGZBZHXIENHKKU-UHFFFAOYSA-N
-rxn:4:219410:225253,CCOC(=O)c1ccc2ncc(-c3cnc(OC4CCN(S(=O)(=O)N5CCOCC5)C4)nc3)cn12,GZENLHKCICCKTN-UHFFFAOYSA-N
-rxn:4:219413:223489,CSc1nc(C)cc(N2CCC(Oc3ccncc3-c3ccc(S(=O)(=O)N4CCC(O[Si](C)(C)C(C)(C)C)CC4)cc3)C2)n1,RGLUAIMAQGYVTD-UHFFFAOYSA-N
-rxn:4:219413:223542,CSc1nc(C)cc(N2CCC(Oc3ccncc3-c3ccc(OC(F)(F)F)c(S(=O)(=O)N4CCN(C)CC4)c3)C2)n1,NYZWENBMJVJMPF-UHFFFAOYSA-N
-rxn:4:219431:224391,Cc1cc(S(=O)(=O)N2CCOCC2)ccc1-c1ccccc1S(=O)(=O)N1CCC(n2cc(C3CC3)nn2)C1,DQCWFQQTLCLUSK-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:4:219457:224271,CC1CN(C(=O)OC(C)(C)C)CCC1n1cc(-c2cc3cccnc3n2C(=O)OC(C)(C)C)nn1,PPYSYGCWNPHCKG-UHFFFAOYSA-N
-rxn:4:219457:224368,CC1CN(C(=O)OC(C)(C)C)CCC1n1cc(-c2cnc(Cl)c(N(C)C(=O)OC(C)(C)C)c2)nn1,QSJFCONSVNOHFM-UHFFFAOYSA-N
-rxn:4:219464:223883,Cc1cccnc1OCC1CCN(c2ncc(-c3ccc4c(c3)CCCN4C(=O)OC(C)(C)C)cn2)CC1,MQJGGDKVTQSTGS-UHFFFAOYSA-N
-rxn:4:219465:222546,Cc1cc(OCC2CCCN(c3ncc(-c4ccc(OCCNC5CCCCC5)c(F)c4)cn3)C2)ccn1,BUAZTSVSCNYVQU-UHFFFAOYSA-N
-rxn:4:219468:222634,O=C(N1CCOCC1)N1CCC(Oc2ncc(-c3ccc(OCCNC4CCCC4)c(F)c3)cn2)CC1,SQFLBWFOKKVMKB-UHFFFAOYSA-N
-rxn:4:219497:222584,N#Cc1cc(-c2ccc(OCCCN3CCNCC3)c(F)c2)cnc1N1CCOC(C(=O)N2CCCCC2)C1,XIHFCEKVNJBWCJ-UHFFFAOYSA-N
-rxn:4:219499:227500,CCN(C)c1ncc(-c2cnc(N3CCCC(C(=O)N4CCOCC4)C3)c(C#N)c2)cc1Cl,DWBCOSFGLSMRKY-UHFFFAOYSA-N
-rxn:4:219500:224217,N#Cc1cc(-c2ccc(OCc3ccccc3)c(F)c2F)cnc1N1CCCC(C(=O)N2CCSCC2)C1,UOKATWBKSBVELF-UHFFFAOYSA-N
-rxn:4:219529:225518,CCCCCOc1ncc(C)cc1-c1cnc(N2CCCC(C(=O)N3CCOCC3)C2)nc1OC,BLSGRPSXCZQQTD-UHFFFAOYSA-N
-rxn:4:219534:223977,CC(C)(C)OC(=O)c1ccc(C(F)(F)F)cc1-c1cncc(C(=O)N2CCC(n3nc(C4CC4)ccc3=O)CC2)c1,HBDCJSAHMXGQLO-UHFFFAOYSA-N
-rxn:4:219535:222985,Cc1nc(C2CCCNC2)ccc1-c1ccccc1C(=O)N1CCCN(S(=O)(=O)c2cnn(C)c2)CC1,MCCRVLWOTDJVEL-UHFFFAOYSA-N
-rxn:4:219545:223812,O=C(c1ccc(-c2cc(F)cc(CN3CCC4(CC3)OCCO4)c2)o1)N1CCCN(c2cc(-c3ccc(Cl)cc3)n[nH]2)CC1,YRCSMRFRVZYTPE-UHFFFAOYSA-N
-rxn:4:219560:222788,Cc1nc(S(=O)(=O)N2CCCN(C(=O)c3ccccc3-c3ccc(NC(=O)OC(C)(C)C)cc3F)CC2)cn1C,TYMZDWFPVBLTQM-UHFFFAOYSA-N
-rxn:4:219653:222684,CC(C)(C)OC(=O)N1CCN(c2nc3ccc(-c4ccc(OCCN5CCNCC5)c(Cl)c4)nc3s2)CC1,IYLDHMSAZBMDDU-UHFFFAOYSA-N
-rxn:4:219687:223581,COC(=O)c1cccc2cc(-c3ccc4nnn(C5CCN(C(=O)OC(C)(C)C)CC5)c4c3)n(C(=O)OC(C)(C)C)c12,QKAWMJQJXVCHRN-UHFFFAOYSA-N
-rxn:4:219697:224672,CCN1CCN(c2ccc(-c3ccc(CC(=O)N4Cc5cnc(N6CCOCC6)nc5C4)cc3)c(Cl)c2)CC1,HDWDHLIYTCZBMU-UHFFFAOYSA-N
-rxn:4:219706:224718,CC(C)(C)OC(=O)N1CCN(c2ncnc3cc(-c4ccc(OCCN5CCOCC5)nc4)c(Cl)cc23)CC1,GTZZZQDGESXSAC-UHFFFAOYSA-N
-rxn:4:219706:226502,CC(C)(C)OC(=O)N1CCN(c2ncnc3cc(-c4ccn(C(=O)OC(C)(C)C)c4)c(Cl)cc23)CC1,BYBIQTXNNLWBJF-UHFFFAOYSA-N
-rxn:4:219766:225754,COC(=O)c1cc(-c2cncc(C(=O)N3CCC(Cn4nc5c(cc4=O)CCCC5)CC3)c2)c(C2CC2)cn1,JFEOOQIYZYVZNF-UHFFFAOYSA-N
-rxn:4:219814:223529,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc(-n4cnn(CC#N)c4=O)c(F)c3)cc2F)CC1,LKAITNQENPMDNS-UHFFFAOYSA-N
-rxn:4:219931:223679,CCN1CCN(S(=O)(=O)c2c(C)cc(-c3cnc(N4CCCN(S(=O)(=O)C5CC5)CC4)nc3)cc2C)CC1,IKXKMGHRIKYZSX-UHFFFAOYSA-N
-rxn:4:219931:223831,COc1ccc(-c2cnc(N3CCCN(S(=O)(=O)C4CC4)CC3)nc2)cc1S(=O)(=O)N1CCC(C)CC1,MCQGEZFPMYFOPJ-UHFFFAOYSA-N
-rxn:4:219959:223945,O=C(C1CN(c2ncc(-c3ccc(OCCCN4CCOCC4)c(F)c3)cn2)CCO1)N1CCOCC1,DBCQRBBJONQDCK-UHFFFAOYSA-N
-rxn:4:219959:226255,CCCCOc1ccc(Cl)cc1-c1cnc(N2CCOC(C(=O)N3CCOCC3)C2)nc1,RNXBXDRKSJFLCN-UHFFFAOYSA-N
-rxn:4:219991:222714,CN1C(=O)CN(C2CCN(C(=O)c3cncc(-c4cc(NC(=O)OC(C)(C)C)cc(F)c4F)c3)CC2)C1=O,HXAFMMVETQXFRY-UHFFFAOYSA-N
-rxn:4:219991:225542,CCCCCc1ccc(-c2cncc(C(=O)N3CCC(N4CC(=O)N(C)C4=O)CC3)c2)c(F)c1F,ILXMAHDTZJWNCT-UHFFFAOYSA-N
-rxn:4:220118:223593,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc4nc(OC5CCN(c6ncc(F)cn6)CC5)sc4c3)cc2Cl)CC1,VGSUBJOROGUKPO-UHFFFAOYSA-N
-rxn:4:220118:223594,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)cc(-c3ccc4nc(OC5CCN(c6ncc(F)cn6)CC5)sc4c3)c2)CC1,FIZPMMNDUDJPKF-UHFFFAOYSA-N
-rxn:4:220131:224821,N#Cc1cc(-c2ccc(F)c(S(=O)(=O)N3CCCC3)c2)cnc1N1CC(N2CC3CCCC3C2)C1,MEAZMFBEROWEER-UHFFFAOYSA-N
-rxn:4:220137:224010,COc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1ccc2nc(N3CCN(S(=O)(=O)C4CC4)CC3)ncc2c1,GLLFXNFFRCGVJE-UHFFFAOYSA-N
-rxn:4:220209:224253,CC1CCCCN1C(=O)c1cc(-c2ccccc2S(=O)(=O)N2CCCc3cnc(N4CCOCC4)nc32)ccc1F,DAWYUHADUXXHDH-UHFFFAOYSA-N
-rxn:4:220222:222584,Cc1ccc(-c2ccc(OCCCN3CCNCC3)c(F)c2)cc1C(=O)N1CCN(c2cc3c(nn2)CCC3)CC1,RVVPHWRWPHWAPR-UHFFFAOYSA-N
-rxn:4:220222:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(C)c(C(=O)N4CCN(c5cc6c(nn5)CCC6)CC4)c3)c2)CC1,BOSVPCHFHTZQRH-UHFFFAOYSA-N
-rxn:4:220226:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2ccc3nc(N4CCCC(C(=O)N5CCOCC5)C4)ncc3c2)CC1,GZKKNKJPQPYWLG-UHFFFAOYSA-N
-rxn:4:220536:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc4ncnc(N5CCN(C6CCC6)CC5)c4c3)c(F)cc2C)CC1,SWMBWVDHOALFJJ-UHFFFAOYSA-N
-rxn:4:221106:223977,COc1nccnc1N(C)CC1CCN(C(=O)c2cncc(-c3cc(C(F)(F)F)ccc3C(=O)OC(C)(C)C)c2)CC1,UKTQZESLGPTJOC-UHFFFAOYSA-N
-rxn:4:221107:224718,Cc1ncn(CC(=O)N2CCCC(COc3ncc(-c4ccc(OCCN5CCOCC5)nc4)cn3)C2)c(=O)c1C,JQLWJDMHNLADTB-UHFFFAOYSA-N
-rxn:4:221114:227438,CCOc1ccc(-c2ccnc(C3CCOC3)c2)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N3CCCC3)n2)CC1,VYZBBSIUROQJML-UHFFFAOYSA-N
-rxn:4:221152:224571,Cc1nnsc1C(=O)N1CCCC(COc2ncc(-c3ccc(N4CCN(C(C)C)CC4)cc3)cn2)C1,SLMNRWYAKHRKBJ-UHFFFAOYSA-N
-rxn:4:221157:222584,O=C(c1cncc(-c2ccc(OCCCN3CCNCC3)c(F)c2)c1)N1CCN(CCn2ccnc2)CC1,HPRUHCJSGBCENU-UHFFFAOYSA-N
-rxn:4:221170:223533,CCc1cnc(N2CCCC(COc3ncc(-c4ccc(CN5CCN(C(=O)OC(C)(C)C)CC5)cc4F)cn3)C2)nc1,OCZMFBYZEYFFFA-UHFFFAOYSA-N
-rxn:4:221172:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2cnc(OCC3CCN(C(=O)c4ccc(=O)n(C)n4)CC3)nc2)CC1,BDDFCXGFBAVQRT-UHFFFAOYSA-N
-rxn:4:221181:222584,Cc1cc(C(=O)N2CCCC(COc3ncc(-c4ccc(OCCCN5CCNCC5)c(F)c4)cn3)C2)nn1C,DMNHHYSJDQVOIR-UHFFFAOYSA-N
-rxn:4:221190:224377,CN1CCN(S(=O)(=O)c2ccc(-c3ccc(C(=O)N4CCN(c5ccc(-c6noc(C7CC7)n6)cn5)CC4)o3)cc2)CC1,QAEFYNCIDAAYBC-UHFFFAOYSA-N
-rxn:4:221205:222630,c1cc(N2CCN(CCc3ccc(-c4cc(C5CCC5)nc(C5CCNCC5)c4)cc3)CC2)nc(N2CCOCC2)n1,QVKZYARRHUYEOF-UHFFFAOYSA-N
-rxn:4:221205:223696,O=S(=O)(c1ccc(-c2ccc(CCN3CCN(c4ccnc(N5CCOCC5)n4)CC3)cc2)cc1)N1CCC2(CC1)OCCO2,BAOBSFKWPGHFIE-UHFFFAOYSA-N
-rxn:4:221205:224328,CC1CCCCN1S(=O)(=O)c1cccc(-c2ccc(CCN3CCN(c4ccnc(N5CCOCC5)n4)CC3)cc2)c1,OGPAGZVHBSOKPA-UHFFFAOYSA-N
-rxn:4:221208:223289,CNS(=O)(=O)c1ccccc1-c1ccc(CCN2CCN(c3cc(C)nc(N4CCOCC4)n3)CC2)cc1,YOLKGKHAZTXXMP-UHFFFAOYSA-N
-rxn:4:221208:226447,Cc1cc(N2CCN(CCc3ccc(-c4ccnc(C5CCOCC5)c4)cc3)CC2)nc(N2CCOCC2)n1,VUJLQFSWWQLMIE-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:4:221227:224196,CCN1CCN(Cc2cc(F)cc(-c3cnc(OCC4CCCN(C(=O)c5ccc6nccnc6c5)C4)nc3)c2)CC1,BQAUZACJROAIJZ-UHFFFAOYSA-N
-rxn:4:221230:224285,N#Cc1cc2c(nc1N1CCCC(COc3ncc(-c4ccc(OCCN5CCOCC5)cc4F)cn3)C1)CCC2,CJDMXVZCCOWFOZ-UHFFFAOYSA-N
-rxn:4:221245:224196,CCN1CCN(Cc2cc(F)cc(-c3cncc(C(=O)N4CCC(COc5ccc6nc(C)c(C)n6n5)CC4)c3)c2)CC1,GDTYTNQLCPDUGM-UHFFFAOYSA-N
-rxn:4:221345:223591,CC(C)(C)OC(=O)N1CCN(c2ccc(F)c(-c3cnc(OCC4CCN(c5ncc(Cl)cn5)CC4)nc3)c2)CC1,HAYWIQMEANZBMU-UHFFFAOYSA-N
-rxn:4:221345:223593,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(OCC4CCN(c5ncc(Cl)cn5)CC4)nc3)cc2Cl)CC1,USOPFVXBZUAVKJ-UHFFFAOYSA-N
-rxn:4:221362:223895,CCN1CCN(CCOc2ccc(-c3cnc(OCC4CCCN(c5cc(C)ncn5)C4)nc3)cc2)CC1,DAZSREBNXCMROD-UHFFFAOYSA-N
-rxn:4:221387:223602,Cc1ncnc(OCC2CCN(c3ncc(-c4ccnc(N5CCN(C(=O)OC(C)(C)C)CC5)c4Cl)cn3)CC2)c1C,ZDZFHNQRSXLDGT-UHFFFAOYSA-N
-rxn:4:221419:222747,CC(C)(C)c1ccc(=O)n(CC2CCN(c3ncc(-c4ccc(C(=O)NCC5CCCO5)cc4)cn3)CC2)n1,MIVZNQNYBNAATJ-UHFFFAOYSA-N
-rxn:4:221421:222833,CC(C)CCC(=O)Nc1cccc(-c2cccc(C(=O)N3CCN(c4ccc(N5CCOCC5)nn4)CC3)c2)c1,NLKQZBXBRPHFEA-UHFFFAOYSA-N
-rxn:4:221422:226236,CCCCOc1ncc(C)cc1-c1ccc(Cl)c(C(=O)N2CCN(c3ccc(N4CCOCC4)nn3)CC2)c1,QQLMZFBJUKUULE-UHFFFAOYSA-N
-rxn:4:221422:226645,O=C(c1cc(-c2ccnc(N3CCOCC3)c2)ccc1Cl)N1CCN(c2ccc(N3CCOCC3)nn2)CC1,GSCUGHXCGWIDAK-UHFFFAOYSA-N
-rxn:4:221446:222861,CCCCNC(=O)c1cc(-c2ccc(CN3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)ccc1F,UUVSBYKRRQRMSP-UHFFFAOYSA-N
-rxn:4:221446:223151,Cc1cc(N2CCOCC2)nc(N2CCN(Cc3ccc(-c4ccc(C(=O)NCC#N)cc4)cc3)CC2)n1,KVCJJDXPFPXGTA-UHFFFAOYSA-N
-rxn:4:221447:222945,Cc1cc(N2CCN(Cc3ccc(-c4ccc(S(=O)(=O)NC(C)C)c(F)c4)cc3)CC2)nc(N2CCOCC2)n1,SGQLQONPDBMMKW-UHFFFAOYSA-N
-rxn:4:221449:227203,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc5c(c4)OCCCO5)cc3)CC2)n1,FGFLLKAFPGCVPL-UHFFFAOYSA-N
-rxn:4:221456:223692,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(OCc5cccnc5)c(Cl)cc4C(F)(F)F)cc3)CC2)n1,RBTKHHGRKLHFQD-UHFFFAOYSA-N
-rxn:4:221456:225825,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(N5CCN(C)CC5)nc4)cc3)CC2)n1,PAZWKGTYCLFARH-UHFFFAOYSA-N
-rxn:4:221456:227205,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccc5c4OCCCO5)cc3)CC2)n1,CGAWDGMCHAOFIF-UHFFFAOYSA-N
-rxn:4:221456:227656,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(N5CCOCC5)cs4)cc3)CC2)n1,QSROTEVNRUVYPR-UHFFFAOYSA-N
-rxn:4:221456:228695,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4csc(CN(C)C)c4)cc3)CC2)n1,OUBXYFJMKBXEPK-UHFFFAOYSA-N
-rxn:4:221498:223581,COC(=O)c1cccc2cc(-c3c[nH]c4ncnc(N5CCN(C(=O)OC(C)(C)C)CC5)c34)n(C(=O)OC(C)(C)C)c12,IKJLWCWLOOIBPT-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:4:221520:223975,CC(C)(C)OC(=O)n1cc(-c2cnc(N3CCC(COc4cc5c(nn4)CCCC5)CC3)nc2)c2nc(Cl)ccc21,QEKAYRGISQIMJH-UHFFFAOYSA-N
-rxn:4:221555:223842,Cc1c(C)n2c3c(=O)n(CCCO)c(=O)n(C)c3nc2n1-c1ccc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC(C)CC2)cc1,UOQQDBYYTAWBKS-UHFFFAOYSA-N
-rxn:4:221608:223592,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cncc(C(=O)N4CCC(n5ccnn5)CC4)c3)c(Cl)c2)CC1,PIKBXNIAQHDJRM-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:4:221740:222634,CC(=O)Cn1c(=O)c2c(nc3n2CCCN3c2ccc(-c3ccc(OCCNC4CCCC4)c(F)c3)cc2)n(C)c1=O,FEQJNHCXBBZODG-UHFFFAOYSA-N
-rxn:4:221742:222634,CCCn1c(=O)c2c(nc3n2CCCN3c2ccc(-c3ccc(OCCNC4CCCC4)c(F)c3)cc2)n(C)c1=O,VZHXANROUAIBCX-UHFFFAOYSA-N
-rxn:4:221849:222584,CCn1c(=O)c2c(nc3n2CCCN3c2ccc(-c3ccc(OCCCN4CCNCC4)c(F)c3)cc2)n(C)c1=O,QURLJMQMDDEAIC-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:4:221951:223650,COc1nccnc1N(C)CC1CCN(c2ncc(-c3ccccc3N3CCN(C(=O)OC(C)(C)C)CC3)cn2)CC1,FGWGCXSVNZQPQO-UHFFFAOYSA-N
-rxn:4:221951:224742,COc1cc(OC)c(C2OCCO2)cc1-c1cnc(N2CCC(CN(C)c3nccnc3OC)CC2)nc1,VYOAMWQKORXVON-UHFFFAOYSA-N
-rxn:4:221965:224759,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(F)cc(C(=O)N6CCOCC6)c5)cc4)CC3)nn2)CC1,HZRIGBGOYASPEN-UHFFFAOYSA-N
-rxn:4:221972:224280,CC(C)(C)OC(=O)N1CCc2sc(-c3cnc(OCC4CCCN(Cc5nnc6n5CCC6)C4)nc3)cc2C1,FLXMVVJUANSGNF-UHFFFAOYSA-N
-rxn:4:221980:223059,CC(C)(C)OC(=O)N1CCN(c2cc(=O)n3nc(-c4cncc(-c5ccc(N6CCNCC6)cc5Cl)c4)sc3n2)CC1,RUMRIXQEDWZTOP-UHFFFAOYSA-N
-rxn:4:221980:223685,CC(C)(C)OC(=O)N1CCN(c2cc(=O)n3nc(-c4cncc(-c5ccc(OC(F)(F)F)c(OCc6cccnc6)c5)c4)sc3n2)CC1,UAFQKEAVYOQTNC-UHFFFAOYSA-N
-rxn:4:221985:223594,Cn1cc(-c2nc3cnc(-c4cc(Cl)cc(N5CCN(C(=O)OC(C)(C)C)CC5)c4)cc3n2[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cn1,MCUWQNFJYHAVON-AREMUKBSSA-N
-rxn:4:222002:224617,CN(c1ncc(Cl)cn1)C1CCN(c2ncc(-c3ccc(OCCN4CCCC4)c(Cl)c3)cc2C#N)CC1,XUYTUHNKNMNSOU-UHFFFAOYSA-N
-rxn:4:222039:225309,O=C(c1cc(-c2cc(C3CC3)cc(C(F)(F)F)c2Cl)ccc1-n1cnnn1)N1CCN(C2CCS(=O)(=O)C2)CC1,YHEBCGZIDVFAOZ-UHFFFAOYSA-N
-rxn:4:222045:222631,Cc1ccn(-c2ccc(N3CCN(S(=O)(=O)c4cccc(-c5cc(C6CCNCC6)nc(C(C)(C)C)c5)c4)CC3)nn2)n1,SDKLKXLGBIPKKB-UHFFFAOYSA-N
-rxn:4:222053:222729,CCCc1cc(-c2cnc(N3CCN(c4cc(CC)nc(C(C)(C)C)n4)CC3)nc2)cc(C2CCCNC2)n1,CZPCFWIPWAGDOZ-UHFFFAOYSA-N
-rxn:4:222062:223151,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C(=O)NCC#N)cc4)cc3)CC2)n1,UHBYBKSZEQKDMI-UHFFFAOYSA-N
-rxn:4:222062:226425,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(N5CCCCC5C)s4)cc3)CC2)n1,AKANWJFWAUFGGE-UHFFFAOYSA-N
-rxn:4:222062:227205,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccc5c4OCCCO5)cc3)CC2)n1,UBJGMZQOTQIUKC-UHFFFAOYSA-N
-rxn:4:222062:227656,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(N5CCOCC5)cs4)cc3)CC2)n1,YLMXDWOLRBCJHW-UHFFFAOYSA-N
-rxn:4:222149:223489,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCN(c5nccc(C(F)(F)F)n5)CC4)nc3)cc2)CC1,ZGPQCJJWROCMGG-UHFFFAOYSA-N
-rxn:4:222168:222853,OC1CCN(Cc2ccc(-c3cnc(N4CCN(c5cc(C6CCOCC6)ncn5)CC4)nc3)cc2)CC1,MYXDBXADYDXRGZ-UHFFFAOYSA-N
-rxn:4:222168:222854,COc1ccc(C2CCCNC2)cc1-c1cnc(N2CCN(c3cc(C4CCOCC4)ncn3)CC2)nc1,RDVCJOXRXXDRGK-UHFFFAOYSA-N
-rxn:4:222168:223889,CC(C)(C)OC(=O)N1CCc2cccc(-c3cnc(N4CCN(c5cc(C6CCOCC6)ncn5)CC4)nc3)c2C1,QZHPDJDTFVTYQO-UHFFFAOYSA-N
-rxn:4:222328:222582,Cc1cc(N2CCN(c3ncc(-c4cccc(C(=O)NCCN5CCOCC5)c4)cn3)CC2)nc(N(C)C)n1,VSHNWNYBMVFTQB-UHFFFAOYSA-N
-rxn:4:222331:224374,COc1ccc(S(=O)(=O)N2CCCC2)cc1-c1cnc(N2CCN(c3nccc(N4CCOCC4)n3)CC2)nc1,FPHAYQBCPIKBHF-UHFFFAOYSA-N
-rxn:4:222334:222803,Cc1cc(N2CCCC2)nc(N2CCN(c3ncc(-c4ccc(C5CCNC5)c(C(F)(F)F)c4)cn3)CC2)n1,UHHCCVBNPYRGEI-UHFFFAOYSA-N
-rxn:4:222338:225210,Cc1nc(N2CCOCC2)cc(N2CCN(c3ncc(-c4cnc(N5CCC(C)CC5)nc4C)cn3)CC2)n1,MNCZXHXFWCRHLJ-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:4:222433:184164,COC(=O)c1c(C)oc2ccc(N(C(C)=O)S(=O)(=O)c3ccc(-c4cc(NC(=O)c5cccc(C(F)(F)F)c5)ccc4C)cc3)cc12,BPGGHTMJXMXEMG-UHFFFAOYSA-N
-rxn:4:222523:175492,COC(=O)C(c1ccc(-c2ccc(S(=O)(=O)NC(C)(C)C)cc2C(F)(F)F)cc1)C(C)C,RXQDAVVCACMAOH-UHFFFAOYSA-N
-rxn:4:222523:177731,CC(C)(C)NS(=O)(=O)c1ccc(-c2cc(Cl)ccc2C(=O)OC(C)(C)C)c(C(F)(F)F)c1,ZOBJTBWPAFMEJR-UHFFFAOYSA-N
-rxn:4:222523:185555,CC(=O)c1c(C)oc2ccc(N(C(C)=O)S(=O)(=O)c3ccc(-c4ccc(S(=O)(=O)NC(C)(C)C)cc4C(F)(F)F)cc3)cc12,QIGWWJXNMDSVSI-UHFFFAOYSA-N
-rxn:4:222523:218814,CC(C)(C)NS(=O)(=O)c1ccc(-c2cccc(-n3nnn(CC(=O)OC(C)(C)C)c3=O)c2)c(C(F)(F)F)c1,KYWXBVHFVBIWTF-UHFFFAOYSA-N
-rxn:4:222541:218886,Cc1ncsc1C(=O)N1CCCC(COc2ncc(-c3ccc(C(=O)NCCN4CCCCC4)cc3)cn2)C1,MOUNIXHCBQFIKB-UHFFFAOYSA-N
-rxn:4:222583:206946,CS(=O)(=O)N1CCCC(c2cccc(-c3ccc(C(=O)NCCN4CCOCC4)cc3)n2)C1,GIVRVZWHTYPNPB-UHFFFAOYSA-N
-rxn:4:222613:187285,CCCNS(=O)(=O)c1ccc(-c2ccc(C(=O)N(C(C)C)C(C)C)cc2C)c(C(F)(F)F)c1,XDDYICIFGRELRZ-UHFFFAOYSA-N
-rxn:4:222712:174516,CC(C)[Si](Oc1ccccc1-c1ccc(NC(=O)OC(C)(C)C)c(F)c1F)(C(C)C)C(C)C,FSKWSEDAAPTYGD-UHFFFAOYSA-N
-rxn:4:222781:185131,COc1ccc(-c2cnc(C)cc2NC(=O)OC(C)(C)C)cc1S(=O)(=O)N(C(C)C)C(C)C,CNJWUSZYHMHONW-UHFFFAOYSA-N
-rxn:4:222821:174686,CC(C)(C)NS(=O)(=O)c1cc(-c2ccc(OC(F)(F)F)cc2C(=O)C(F)(F)F)ccc1F,PJCHWHKHROOPEZ-UHFFFAOYSA-N
-rxn:4:222881:174526,Cc1c(-c2ccc(C(=O)NC(C)(C)C)cc2F)ccc(O[Si](C(C)C)(C(C)C)C(C)C)c1Cl,LZAVCTLGFCGDMI-UHFFFAOYSA-N
-rxn:4:222901:214852,CCCS(=O)(=O)NCc1ccc(-c2cncc(C(=O)N3CCC(N4CCCC4)CC3)c2)cc1,CEUNBNJOOKSURO-UHFFFAOYSA-N
-rxn:4:222931:199539,CCCS(=O)(=O)N1CCN=C1SCc1ccc(-c2cnc(Cl)c(N3CCCCC3O)c2)cc1,FHCMYGSWHKJNHL-UHFFFAOYSA-N
-rxn:4:222940:175664,CC(C)(C)NS(=O)(=O)c1cncc(-c2cc(C(F)(F)F)cc(F)c2C(=O)OC(C)(C)C)c1,OSIUZGYELFOFFX-UHFFFAOYSA-N
-rxn:4:223071:204033,CCS(=O)(=O)NCc1ccc(-c2ccc(Cl)c(C(=O)N3CCC(N4CCCC4)C3)c2)cc1,NDSSAMIFVHMLQZ-UHFFFAOYSA-N
-rxn:4:223102:186909,CC(C)(C)NS(=O)(=O)c1sccc1-c1cc(C(F)(F)F)ccc1/C=N/S(=O)C(C)(C)C,NLMOAQGOYARORZ-WYMPLXKRSA-N
-rxn:4:223520:177694,COC(=O)C(C)(C)c1ccccc1-c1ccc(C(C)N2CCN(C(=O)OC(C)(C)C)CC2)cc1,PXKJJEWYVYLLNN-UHFFFAOYSA-N
-rxn:4:223570:187811,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc4c(C(F)F)cn(C(=O)OC(C)(C)C)c4c3)c(F)ncc21,QWCACALMTPDRLP-UHFFFAOYSA-N
-rxn:4:223570:187844,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc4c(ccc(=O)n4CC(=O)OC(C)(C)C)c3)c(F)ncc21,DQMPYONZSGRTIS-UHFFFAOYSA-N
-rxn:4:223580:189149,COC(=O)c1ccc2c(c1)cc(-c1cccc(C(F)(F)F)c1C(=O)N(C)C)n2C(=O)OC(C)(C)C,SGAJNRLUPZRUBW-UHFFFAOYSA-N
-rxn:4:223582:176723,COC(=O)c1ccc2cc(-c3cc(C(F)(F)F)cc(C(=O)OC)c3F)n(C(=O)OC(C)(C)C)c2c1,MFQAPLVNBLXMGB-UHFFFAOYSA-N
-rxn:4:223641:174515,CCc1cc2c(cc1F)cc(-c1ccc(O[Si](C(C)C)(C(C)C)C(C)C)cc1)n2C(=O)OC(C)(C)C,PDCODHGUOXNCIW-UHFFFAOYSA-N
-rxn:4:223761:187969,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc(C4CCCN4C(=O)OC(C)(C)C)cc3)cccc21,UMPAJZPDJLBVAE-UHFFFAOYSA-N
-rxn:4:223771:174480,COc1ccc2c(c1)cc(-c1cc(C(=O)OC(C)(C)C)cc(-c3ccccc3C(F)(F)F)c1)n2C(=O)OC(C)(C)C,XJMKYPUWFVADQG-UHFFFAOYSA-N
-rxn:5:176860:223061:225834,COC(=O)c1c(-c2cc(C3CCNCC3)ncc2F)ccc(OC)c1-c1cc(N2CCCCC2)ncc1F,PHYQFIJALQAZCP-UHFFFAOYSA-N
-rxn:5:176860:225982:223056,COC(=O)c1c(-c2cnc(N3CCOCC3)cc2F)ccc(OC)c1-c1ccc(N2CCC(O)CC2)nc1,QCXSFBFHSDSCEX-UHFFFAOYSA-N
-rxn:5:177190:223056:223056,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCC(O)CC3)nc2)c(-c2ccc(N3CCC(O)CC3)nc2)c1,SXQBNIMQUYTAFK-UHFFFAOYSA-N
-rxn:5:177190:226426:223056,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCC(O)CC3)nc2)c(-c2ccc(N3CCC(C)CC3)s2)c1,QXOXSZIYXVVDCS-UHFFFAOYSA-N
-rxn:5:177190:226429:223056,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCC(O)CC3)nc2)c(-c2ccc(N3CCCC(C)C3)s2)c1,CXCDESCYJFOBEN-UHFFFAOYSA-N
-rxn:5:177731:222980:223064,CC(C)(C)OC(=O)c1ccc(-c2ccc(C3CCNCC3)nc2F)cc1-c1ccc(CN2CCNCC2)cc1,QZMZVZHZBVIVHJ-UHFFFAOYSA-N
-rxn:5:177731:226663:226428,CC1CCCCN1c1csc(-c2ccc(C(=O)OC(C)(C)C)c(-c3ccc(N4CCSCC4)nc3)c2)c1,MQMVASMRKFCEGK-UHFFFAOYSA-N
-rxn:5:177732:225784:223064,CC(C)(C)OC(=O)c1ccc(-c2ccc(CN3CCOCC3)nc2)c(-c2ccc(C3CCNCC3)nc2F)c1,XJTCEAFRUFBTSM-UHFFFAOYSA-N
-rxn:5:177733:225784:223062,CC(C)(C)OC(=O)c1cc(-c2ccc(CN3CCOCC3)nc2)cc(-c2cnc(C3CCNCC3)cc2F)c1,MWFKAQRPRGGMQA-UHFFFAOYSA-N
-rxn:5:177736:223064:225833,CC(C)(C)OC(=O)c1ccc(-c2ccnc(N3CCCCC3)c2F)c(-c2ccc(C3CCNCC3)nc2F)c1,BYOABGQGPQPIBH-UHFFFAOYSA-N
-rxn:5:177736:223064:225976,CC(C)(C)OC(=O)c1ccc(-c2ccnc(N3CCOCC3)c2F)c(-c2ccc(C3CCNCC3)nc2F)c1,JNBIVFCAPIPTBR-UHFFFAOYSA-N
-rxn:5:177736:226679:223061,CC(C)(C)OC(=O)c1ccc(-c2cc(C3CCNCC3)ncc2F)c(-c2cnc(N3CCCC3)cc2F)c1,OKACMMJHIRIWFY-UHFFFAOYSA-N
-rxn:5:177737:225633:226663,CC(C)(C)OC(=O)c1cc(-c2ccc(N3CCSCC3)nc2)ccc1-c1ccc(N2CCCCCC2)nc1,ZABYTCSGQZGFQG-UHFFFAOYSA-N
-rxn:5:177737:225639:226663,CC1CCN(c2ncccc2-c2ccc(-c3ccc(N4CCSCC4)nc3)cc2C(=O)OC(C)(C)C)CC1,BUHSIYLFKOCQRI-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:5:177739:225976:226794,CC(C)(C)OC(=O)c1cccc(-c2ccnc(N3CCOCC3)c2F)c1-c1cnc(N2CCSCC2)nc1,GAFYFSXNHPTFNF-UHFFFAOYSA-N
-rxn:5:178117:225820:225816,FC(F)(F)c1ccc(C2CC2)cc1-c1ccc(-c2c(C3CC3)cccc2C(F)(F)F)cc1OCC1CCOCC1,GRRGRBUUQLGNNZ-UHFFFAOYSA-N
-rxn:5:178117:225824:227672,Cc1cccc(-c2ccc(-c3cc(C4CC4)cc(C(F)(F)F)c3)cc2OCC2CCOCC2)c1C(F)(F)F,VWIPKCHZARQRTO-UHFFFAOYSA-N
-rxn:5:178118:227592:225806,COc1cc(F)cc(-c2ccc(-c3cnc(OC4CCCC4)cc3F)cc2OCC2CCCCO2)c1OC,VDQIAWOZDPVHOB-UHFFFAOYSA-N
-rxn:5:178119:225621:226921,Cc1cc(-c2cc(C(=O)OC(C)(C)C)cc(C)c2-c2cc(C3CC3)c(C)cc2C)ccc1OC1CCOC1,CXIHFBGBYSHLNU-UHFFFAOYSA-N
-rxn:5:178225:226040:225640,Cc1c(-c2cccc(OCC3CCCCC3)c2-c2ccnc(N3CCCCC3C)c2)cc([N+](=O)[O-])cc1[N+](=O)[O-],XWQISMOQVMCVLB-UHFFFAOYSA-N
-rxn:5:178226:227078:225809,COc1ccc(C2CC2)c(-c2c(OCC3CCCCC3)cccc2-c2cc(F)ccc2OC2CCOC2)c1,MLDWVOPCYAFYRF-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:5:178295:223062:228371,COC(=O)C1(c2cc(-c3ccc(F)c(C#N)c3F)ccc2-c2cnc(C3CCNCC3)cc2F)CCC(=O)CC1,QSQYKLXETUZMDT-UHFFFAOYSA-N
-rxn:5:178295:223063:223068,COC(=O)C1(c2cc(-c3ccc4[nH]c(C(F)(F)F)cc4c3)ccc2-c2cc(F)nc(C3CCNCC3)c2)CCC(=O)CC1,KNHKXCQZWXMKNG-UHFFFAOYSA-N
-rxn:5:178295:223068:222988,COC(=O)C1(c2cc(-c3cc(C)nc(C4CCNCC4)c3)ccc2-c2ccc3[nH]c(C(F)(F)F)cc3c2)CCC(=O)CC1,QHKSGMAKAHMHLW-UHFFFAOYSA-N
-rxn:5:178295:223068:223063,COC(=O)C1(c2cc(-c3cc(F)nc(C4CCNCC4)c3)ccc2-c2ccc3[nH]c(C(F)(F)F)cc3c2)CCC(=O)CC1,ROFPVPXYKYZOJF-UHFFFAOYSA-N
-rxn:5:178295:225933:223246,COC(=O)C1(c2cc(-c3ccc(OC)c4[nH]ncc34)ccc2-c2cc(C3CC3)nc(C(F)(F)F)c2)CCC(=O)CC1,UTRRFUJRVPHZHP-UHFFFAOYSA-N
-rxn:5:178295:226601:227831,CCc1c(C)cc(-c2ccc(-c3c(OC(C)C)ccc(F)c3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc1C,XYZDHTCZYGQEEA-UHFFFAOYSA-N
-rxn:5:178295:226710:228279,CCc1cc(F)c(-c2ccc(-c3ccc(F)c([Si](C)(C)C)c3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)c1,DILVXYIMXVOUPS-UHFFFAOYSA-N
-rxn:5:178295:226782:227525,CCc1cnc(C(F)F)cc1-c1ccc(-c2cc(F)c(C(=O)OC)cc2F)c(C2(C(=O)OC)CCC(=O)CC2)c1,QEMILRHTTQUPAI-UHFFFAOYSA-N
-rxn:5:178295:226911:228275,CCc1cc(C)cc(CC)c1-c1ccc(-c2cc(C)cc(F)c2OC)cc1C1(C(=O)OC)CCC(=O)CC1,NRFUORUQYYXNRU-UHFFFAOYSA-N
-rxn:5:178295:227075:228450,COC(=O)C1(c2cc(-c3cc(C)c(F)c(F)c3F)ccc2-c2cc(OC)cc(C(C)C)c2)CCC(=O)CC1,RNIITEYFNOZOIM-UHFFFAOYSA-N
-rxn:5:178295:227076:228005,CCC(C)c1ccc(F)c(-c2ccc(-c3cc(C)c(SC)cc3C)cc2C2(C(=O)OC)CCC(=O)CC2)c1,XAFCDVUWDGGVQB-UHFFFAOYSA-N
-rxn:5:178295:227076:228419,CCC(C)c1ccc(F)c(-c2ccc(-c3cc(F)c(SC)cc3F)cc2C2(C(=O)OC)CCC(=O)CC2)c1,SZKOXHJNBBYCTR-UHFFFAOYSA-N
-rxn:5:178295:227076:228564,CCC(C)c1ccc(F)c(-c2ccc(-c3ccc(C(C)CC)s3)cc2C2(C(=O)OC)CCC(=O)CC2)c1,UFXRCHUDBDVBJU-UHFFFAOYSA-N
-rxn:5:178295:227102:227816,CCCc1ccc(-c2ccc(-c3cc(C(C)(C)C)ccc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(C)c1,ODHOTJSXLZAZIC-UHFFFAOYSA-N
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-rxn:5:189211:227284:227419,N#Cc1cc(-c2cccc(C(=O)ON3C(=O)CCC3=O)c2-c2ccc(C3CCC3)nc2F)c(C2CC2)cn1,SDRZCYBBHGVOGA-UHFFFAOYSA-N
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-rxn:5:189212:225833:229014,CC(C)c1ccc(-c2ccc(C(=O)ON3C(=O)CCC3=O)cc2-c2ccnc(N3CCCCC3)c2F)s1,VTHPJPXWMZWOLO-UHFFFAOYSA-N
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-rxn:5:189212:227278:227413,N#CC1(c2ccc(-c3cc(C(=O)ON4C(=O)CCC4=O)ccc3-c3cnc(C4CCC4)cc3F)cn2)CC1,PSLJBTSXYBJHMI-UHFFFAOYSA-N
-rxn:5:189212:227413:227278,N#CC1(c2ccc(-c3ccc(C(=O)ON4C(=O)CCC4=O)cc3-c3cnc(C4CCC4)cc3F)cn2)CC1,SZDAKABBUWDDCX-UHFFFAOYSA-N
-rxn:5:189212:227419:227284,N#Cc1cc(-c2ccc(C(=O)ON3C(=O)CCC3=O)cc2-c2ccc(C3CCC3)nc2F)c(C2CC2)cn1,PAYUKAHJEKSREX-UHFFFAOYSA-N
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-rxn:5:189212:228870:223063,COC(=O)c1csc(-c2cc(C(=O)ON3C(=O)CCC3=O)ccc2-c2cc(F)nc(C3CCNCC3)c2)c1,WNRWKNOWZBIUGA-UHFFFAOYSA-N
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-rxn:5:189212:229015:223063,CC(C)c1sccc1-c1cc(C(=O)ON2C(=O)CCC2=O)ccc1-c1cc(F)nc(C2CCNCC2)c1,OYHVWPIQJCNMIE-UHFFFAOYSA-N
-rxn:5:189212:229082:223006,CN(C)c1csc(-c2cc(C(=O)ON3C(=O)CCC3=O)ccc2-c2ccc(F)c(C3CCNCC3)c2)c1,KRBIMAMCEGVPJH-UHFFFAOYSA-N
-rxn:5:189212:229088:223063,CC(=O)c1csc(-c2cc(C(=O)ON3C(=O)CCC3=O)ccc2-c2cc(F)nc(C3CCNCC3)c2)c1,SDQXXJPPNJNTSB-UHFFFAOYSA-N
-rxn:5:189320:226862:225470,CC1CCN(c2ccc(-c3ncc(C(=O)OC(C)(C)C)cc3-c3cccc(OC(F)(F)F)c3F)cc2)CC1,AZPCWFUAZCHFFM-UHFFFAOYSA-N
-rxn:5:189539:225802:225982,CC(C)N(C)C(=O)c1cccc(-c2ccc(OC3CCCC3)nc2F)c1-c1cnc(N2CCOCC2)cc1F,LUXUBPVTTQANRJ-UHFFFAOYSA-N
-rxn:5:189664:226911:225816,CCc1cc(C)cc(CC)c1-c1ccc(CC(=O)N2CCCC2)c(-c2cc(C3CC3)ccc2C(F)(F)F)c1,OOBLUBXXMIXEAQ-UHFFFAOYSA-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:5:189667:226594:225602,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:5:189668:227297:225631,CN(C)Cc1ccc(F)c(-c2cc(-c3ccc(N4CCN(C)CC4)cc3)ccc2CC(=O)N2CCCC2)c1,CLQKZSWEOPYMHP-UHFFFAOYSA-N
-rxn:5:189671:223004:222994,CC(C)(C)S(=O)/N=C/c1c(-c2cccc(N3CCC(O)CC3)c2)cccc1-c1ccc(C2CCNCC2)c(F)c1,KFELLKRGIYGXOB-HPNXWYHWSA-N
-rxn:5:189671:227291:226036,COc1c(F)cc(C(F)(F)F)cc1-c1cccc(-c2ccc(CN(C)C)c(F)c2)c1/C=N/S(=O)C(C)(C)C,VLWPGCSVIPLXDK-PUHLOBNQSA-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:5:189826:223144:225803,O=C(Cc1ccc(-c2ccnc(OC3CCOCC3)c2)cc1-c1ccc(N2CCC(O)C2)cc1)N1CCOCC1,ONVSVXOVXBFNHF-UHFFFAOYSA-N
-rxn:5:189827:225597:227040,Cc1ccc(OC(C)C)c(-c2ccc(CC(=O)N3CCOCC3)cc2-c2ccc(OC3CCCCC3)nc2)c1,JFHVIUUMXKVHNG-UHFFFAOYSA-N
-rxn:5:189829:226140:227052,COc1ccc(C(C)(C)C)cc1-c1cc(C(=O)N2CCCC2)cc(-c2ccc(SC(C)(C)C)cc2)c1OC,RIYFKWGXAPKQJX-UHFFFAOYSA-N
-rxn:5:189829:226464:227783,COc1ccc2c(c1-c1cc(C(=O)N3CCCC3)cc(-c3cc([N+](=O)[O-])c(F)cc3F)c1OC)OCCO2,RQIKGIPQNFCKEP-UHFFFAOYSA-N
-rxn:5:189829:228678:225587,COc1c(-c2cccc(CN3CCOCC3)c2)cc(C(=O)N2CCCC2)cc1-c1ccnn1CC(C)C,QOVTVKDPAMVJQV-UHFFFAOYSA-N
-rxn:5:189909:225833:227376,Fc1c(-c2ccc(-c3cncc(N4CCCC4)c3)cc2CCN2CCOCC2)ccnc1N1CCCCC1,WOZFSUWSPUFPNY-UHFFFAOYSA-N
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-rxn:5:189909:226395:225849,Fc1cc(N2CCCCC2)ncc1-c1ccc(-c2cncc(N3CCCCC3)c2)c(CCN2CCOCC2)c1,PGSRJWVOMNZSAX-UHFFFAOYSA-N
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-rxn:5:189910:227020:225849,Fc1cc(N2CCCCC2)ncc1-c1ccc(-c2cncc(C#CC3CC3)c2)cc1CCN1CCOCC1,ZQUGDBCSCAVKSQ-UHFFFAOYSA-N
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-rxn:5:190001:226181:227290,CN(C)C(=O)c1cccc(-c2ccc(CC(=O)N3CCCCC3)cc2-c2ccc(C3=CCCCC3)nc2)c1,KOQAIFYEYUFJEI-UHFFFAOYSA-N
-rxn:5:190097:225600:226069,c1cc(-c2ccc(-c3cccnc3OC3CCCCC3)cc2CCN2CCCCC2)cc(C2CCCCC2)c1,HXQPIULLYWSGRA-UHFFFAOYSA-N
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-rxn:5:190194:227587:226146,COc1cc(-c2cccc(CN3CCC(OC)CC3)c2-c2ccc(SC3CCCC3)cc2)cc(F)c1OC,FWFTVNQBRFZYKO-UHFFFAOYSA-N
-rxn:5:190194:228184:225601,COc1ccc(-c2cccc(CN3CCC(OC)CC3)c2-c2ccc(C3(C#N)CCC3)cc2F)cc1SC,NNZNWPPZLXHRDF-UHFFFAOYSA-N
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-rxn:5:190198:225611:227051,CCC(=O)c1ccc(-c2cccc(-c3ccc(N4CCCC4)cc3OC)c2CN(C)C2CCOCC2)c(C)c1,NOUTTZHXLPAEIG-UHFFFAOYSA-N
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-rxn:5:190859:226067:225886,CC(C)(C)OC(=O)N1CCc2c1ccc(-c1ccc(C3=CCCCC3)cc1)c2-c1ccc2c(ccn2S(C)(=O)=O)c1,BUWYPNFZLFMTQQ-UHFFFAOYSA-N
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-rxn:5:191026:227346:228258,CCCc1cc(F)c(-c2ccc3c(c2)N(c2ccc(C)c(-c4c(C)ccc(F)c4OC)c2)C=C(C(=O)OC)S3(=O)=O)c(F)c1,NOTWWXBFRUJYBF-UHFFFAOYSA-N
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-rxn:5:191049:225978:227684,COc1cc(N2Cc3cc(-c4ccc(N5CCOCC5)nc4F)ccc3OCC2=O)c(OC)cc1-c1cnn(CC2OCCO2)c1,ADCWCRFKTCUMBE-UHFFFAOYSA-N
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-rxn:5:192560:225925:225622,Cc1ccc(S(=O)(=O)N(C)C)cc1-c1ccc(-c2ccccc2OC2CCCCO2)c(C(=O)N2CCC2)c1,UTTLYXQGFLMGQN-UHFFFAOYSA-N
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-rxn:5:193748:225820:227688,COc1ccc([N+](=O)[O-])cc1-c1ccc(-c2c(C3CC3)cccc2C(F)(F)F)cc1C(=O)N1CCCC(C)C1,PDNUOIBBUFGTAH-UHFFFAOYSA-N
-rxn:5:193749:225451:225886,CC1CCCCN1C(=O)c1cc(-c2ccc(SC3CCCCC3)cc2)ccc1-c1ccc2c(ccn2S(C)(=O)=O)c1,FIOWFRMYAPOJSQ-UHFFFAOYSA-N
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-rxn:5:193753:227613:227029,CC1CCCCN1C(=O)c1cc(-c2cnn(C3CCOCC3)c2)cc(-c2ccccc2C(C)(C)C#N)c1,QUYILCJLYJFIFF-UHFFFAOYSA-N
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-rxn:5:193756:225605:226842,Cc1cnc(OC2CCCC2)c(-c2ccc(C(=O)N3CCCCC3C)c(-c3cncc(C(=O)C(F)(F)F)c3)c2)c1,OXJLHGAYPUZTGE-UHFFFAOYSA-N
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-rxn:5:193756:225671:226587,CC1CCCCN1C(=O)c1ccc(-c2cc(C3CCCCC3)ncc2F)cc1-c1cnc(OC2CCC2)cc1F,MXRUEVFBDSKAHV-UHFFFAOYSA-N
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-rxn:5:193756:225980:227522,COC(=O)c1ccc(-c2cc(-c3cc(N4CCOCC4)ncc3F)ccc2C(=O)N2CCCCC2C)c(C)n1,XPRJHUZQSBGUDT-UHFFFAOYSA-N
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-rxn:5:193756:226746:226747,CCc1cnc(C(F)(F)F)cc1-c1ccc(C(=O)N2CCCCC2C)c(-c2cnc(CC)c(C(F)(F)F)c2)c1,RHVHGAIJTWIVLO-UHFFFAOYSA-N
-rxn:5:193756:227025:225671,CCc1ncc(C2CC2)cc1-c1ccc(C(=O)N2CCCCC2C)c(-c2cc(C3CCCCC3)ncc2F)c1,GUVYMKLFWZKPHJ-UHFFFAOYSA-N
-rxn:5:193756:227093:225653,CC1CCCCN1C(=O)c1ccc(-c2cccnc2C2CCCC2)cc1-c1ccc(N2CCCCC2C)nc1,WZSOEASBNPLVEC-UHFFFAOYSA-N
-rxn:5:193756:227093:225940,CC1CCCCN1C(=O)c1ccc(-c2cccnc2C2CCCC2)cc1-c1cc(C(F)(F)F)cnc1C1CC1,LWNAAELGPPNHJO-UHFFFAOYSA-N
-rxn:5:193756:227377:226338,CC1CCCCN1C(=O)c1ccc(-c2cncnc2C2CCCC2)cc1-c1ccnc(OC2CCCC2)c1,IVYDGKDRWZIWSX-UHFFFAOYSA-N
-rxn:5:193756:227377:226842,CC1CCCCN1C(=O)c1ccc(-c2cncnc2C2CCCC2)cc1-c1cncc(C(=O)C(F)(F)F)c1,TVRKMWJPXMPEJJ-UHFFFAOYSA-N
-rxn:5:193756:227387:226679,CC1CCCCN1C(=O)c1ccc(-c2ccnc(N3CCCC3)c2)cc1-c1cnc(N2CCCC2)cc1F,XEWDMLRCPCDYJZ-UHFFFAOYSA-N
-rxn:5:193756:227702:226438,COC(=O)c1cnc(F)c(-c2ccc(C(=O)N3CCCCC3C)c(-c3cnc(C4CCCC4)cc3F)c2)c1,IWZFWOYPTNBXHN-UHFFFAOYSA-N
-rxn:5:193756:227960:225808,CC1CCCCN1C(=O)c1ccc(-c2ccncc2C2CCC2)cc1-c1cc(OC2CCCC2)ncc1F,BLTGNBJKCMSUPV-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:5:193807:225576:227353,COc1cc(C)c(-c2cccc(CN3CCC(C)CC3)c2-c2ccc(N3CCCC3)c(C#N)c2)c(OC)c1,KKRZYKRNVSTEJE-UHFFFAOYSA-N
-rxn:5:193807:226573:226446,Cc1nc(C2CCOC2)ccc1-c1cccc(CN2CCC(C)CC2)c1-c1cnc(OC(C)(C)C)nc1C,KXKASZVAXXUKJI-UHFFFAOYSA-N
-rxn:5:193866:225470:228753,CC1CCN(c2ccc(-c3ccc(C4(N5CCC(=O)CC5)CC4)cc3-c3cccc(F)c3C#N)cc2)CC1,FRJFQOBMVHTWNY-UHFFFAOYSA-N
-rxn:5:193866:228200:225638,CC1CCN(c2ccc(-c3cc(C4(N5CCC(=O)CC5)CC4)ccc3-c3ccnn3C3CCCC3)cn2)CC1,AGDNZNFHWUOYGW-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:5:193869:223231:226572,CNC(=O)c1ccc(-c2cc(C)c(-c3cnc(OC4CCCC4)nc3)cc2S(=O)(=O)N2CCCCC2)cc1C,CFAKKGOSQYSAAI-UHFFFAOYSA-N
-rxn:5:193869:227025:225831,CCc1ncc(C2CC2)cc1-c1cc(C)c(-c2cnc(N3CCOCC3)c(C)c2)cc1S(=O)(=O)N1CCCCC1,OMCMMEJLIMAXHF-UHFFFAOYSA-N
-rxn:5:193869:228695:227611,Cc1cc(-c2csc(CN(C)C)c2)c(S(=O)(=O)N2CCCCC2)cc1-c1ccnn1C1CCCCO1,JYPDSJHGLAZJSJ-UHFFFAOYSA-N
-rxn:5:193870:227052:227079,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cc(CC(C)C)ccc2F)cc1-c1ccc(SC(C)(C)C)cc1,NQFYSOCNGDEKQV-UHFFFAOYSA-N
-rxn:5:193870:227611:228695,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2csc(CN(C)C)c2)cc1-c1ccnn1C1CCCCO1,BLJUELRVZXQXHD-UHFFFAOYSA-N
-rxn:5:193871:227033:227416,N#Cc1cc(-c2cc(C(=O)N3CCC4(CC3)CC4)ccc2-c2cc(F)nc(C3CCC3)c2)ccc1C1CC1,OJOHUUXJJSKRTK-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:5:193912:226590:227209,CC1(C)Oc2ccc(-c3ccc(C4C(=O)N(c5ccc(-c6ccc(OC7CCOC7)nc6)cc5)C(=O)CS4=O)cc3)cc2O1,UIZJWOUHNPKAKS-UHFFFAOYSA-N
-rxn:5:193967:226599:228377,CCOc1c(F)cc(-c2ccc(CN3CCC4(CC3)OCCO4)c(-c3cc(C)cc([N+](=O)[O-])c3)c2)c(C)c1F,AMXKLTBUAXNLNW-UHFFFAOYSA-N
-rxn:5:193967:226749:229052,CCCn1nccc1-c1cc(-c2c(OC)cccc2C(F)(F)F)ccc1CN1CCC2(CC1)OCCO2,VJLPPOXWGNRBQZ-UHFFFAOYSA-N
-rxn:5:193967:226767:226147,COc1ccc(C(F)(F)F)c(-c2ccc(CN3CCC4(CC3)OCCO4)c(-c3c(C)cc(OC(C)C)cc3C)c2)c1,YNDYTDBAFCWDLX-UHFFFAOYSA-N
-rxn:5:193972:225640:228868,COC(=O)c1ccc(-c2cc(S(=O)(=O)N3CCCCCC3)c(-c3ccnc(N4CCCCC4C)c3)cc2C)s1,BCAQYRPFEUNXME-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:5:193972:226974:225611,COc1cc(N2CCCC2)ccc1-c1cc(S(=O)(=O)N2CCCCCC2)c(-c2ccc3c(c2)COC3(C)C)cc1C,UQQDKJTYTUUAFX-UHFFFAOYSA-N
-rxn:5:193972:227501:228879,Cc1cc(-c2ccc(C=C[N+](=O)[O-])cc2)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccnn1C1COC1,PQBVUZUCCDPCOT-UHFFFAOYSA-N
-rxn:5:193972:227505:228879,Cc1cc(-c2ccc(/C=C/[N+](=O)[O-])cc2)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccnn1C1COC1,PQBVUZUCCDPCOT-RVDMUPIBSA-N
-rxn:5:193972:228695:227611,Cc1cc(-c2csc(CN(C)C)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccnn1C1CCCCO1,WAYWAQMZZIFSFT-UHFFFAOYSA-N
-rxn:5:194058:223002:223054,CC(c1ccc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2ccc(C3CCNCC3)cc2F)s1)N1CCC(O)C1,DJKSQVRBBIAFAZ-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:5:194058:225637:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc2[nH]cc(OS(=O)(=O)[O-])c2cc1-c1ccccc1N1CCN(C)CC1,RDQNWSOTJHTCFH-UHFFFAOYSA-M
-rxn:5:194058:225943:223056,O=C(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2ccc(N3CCC(O)CC3)nc2)s1)N1CCOCC1,VNWXOODSEWDROK-UHFFFAOYSA-M
-rxn:5:194058:225943:225631,CN1CCN(c2ccc(-c3cc4[nH]cc(OS(=O)(=O)[O-])c4cc3-c3ccc(C(=O)N4CCOCC4)s3)cc2)CC1,BCATYGUBSDJDCJ-UHFFFAOYSA-M
-rxn:5:194058:226428:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc2[nH]cc(OS(=O)(=O)[O-])c2cc1-c1cc(N2CCCCC2C)cs1,RIFBIQIUMGJISI-UHFFFAOYSA-M
-rxn:5:194058:226661:225943,CN1CCN(c2csc(-c3cc4c(OS(=O)(=O)[O-])c[nH]c4cc3-c3ccc(C(=O)N4CCOCC4)s3)c2)CC1,BTKMUNMDEDEWCY-UHFFFAOYSA-M
-rxn:5:194398:223062:227506,O=C(c1ccc(-c2cnc(C3CCNCC3)cc2F)cc1-c1cccc(/C=C/[N+](=O)[O-])c1)N1CC2CC2C1,IEJQWLOLZLOSRK-DHZHZOJOSA-N
-rxn:5:194398:223062:227507,O=C(c1ccc(-c2cnc(C3CCNCC3)cc2F)cc1-c1cccc(C=C[N+](=O)[O-])c1)N1CC2CC2C1,IEJQWLOLZLOSRK-UHFFFAOYSA-N
-rxn:5:194399:227507:223063,O=C(c1ccc(-c2cccc(C=C[N+](=O)[O-])c2)c(-c2cc(F)nc(C3CCNCC3)c2)c1)N1CC2CC2C1,HNOKNSZRWKLNBV-UHFFFAOYSA-N
-rxn:5:194561:228485:226733,CN(C)S(=O)(=O)c1ccc(-c2ccc(-c3ccncc3C(F)(F)F)cc2C(=O)N2C3CCC2COC3)cc1,ISOVVYPYPCTTQK-UHFFFAOYSA-N
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-rxn:5:194733:226420:227954,O=C(c1cc(-c2ccc(F)c(N3CCCC3)c2)ccc1-c1ccc(C2CCC2)nc1)N1C2CCC1CC(=C1CC1)C2,TZWDDHKXXIZTKB-UHFFFAOYSA-N
-rxn:5:194733:226700:225652,CC1CCCN(c2cncc(-c3ccc(-c4ccc(-c5cccs5)nc4F)cc3C(=O)N3C4CCC3CC(=C3CC3)C4)c2)C1,QWHFKBCZTLEXSX-UHFFFAOYSA-N
-rxn:5:194733:228991:226576,CCCc1sccc1-c1ccc(-c2ccc(F)c(C(=O)N(C)C)c2)c(C(=O)N2C3CCC2CC(=C2CC2)C3)c1,YRFLWUFIYSIADV-UHFFFAOYSA-N
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-rxn:5:194767:223378:225976,O=C1OC2(CCCN(C(=O)c3cc(-c4cnc5c(c4)NCCO5)ccc3-c3ccnc(N4CCOCC4)c3F)C2)c2ccccc21,IUHZZQXQYLAEET-UHFFFAOYSA-N
-rxn:5:194767:225976:227376,O=C1OC2(CCCN(C(=O)c3cc(-c4ccnc(N5CCOCC5)c4F)ccc3-c3cncc(N4CCCC4)c3)C2)c2ccccc21,PNCTVMDHHWKWKZ-UHFFFAOYSA-N
-rxn:5:194767:225980:225976,O=C1OC2(CCCN(C(=O)c3cc(-c4cc(N5CCOCC5)ncc4F)ccc3-c3ccnc(N4CCOCC4)c3F)C2)c2ccccc21,UKIKGEZTLXQBDG-UHFFFAOYSA-N
-rxn:5:194767:225980:226794,O=C1OC2(CCCN(C(=O)c3cc(-c4cc(N5CCOCC5)ncc4F)ccc3-c3cnc(N4CCSCC4)nc3)C2)c2ccccc21,SSOCAQKSBSXUJZ-UHFFFAOYSA-N
-rxn:5:194792:225644:226150,Cc1cccc(-c2ncc(-c3ccc(C4OC5(C(=O)c6ccccc6C5=O)C5C(=O)N(c6ccc(-c7cccc(SC8CCCC8)c7)cc6)C(=O)C45)cc3)cn2)c1,LMOMLAZCFVQQPP-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:5:194792:227685:228944,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:5:196790:226431:225870,O=C1COCCN1c1ccc(-c2cc(F)cc(N3CCOCC3)c2)cc1-c1ccc(N2CCCC2)c(F)c1,HATHUSKNUWWUOP-UHFFFAOYSA-N
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-rxn:5:196791:226395:223061,O=C1COCCN1c1cccc(-c2cncc(N3CCCCC3)c2)c1-c1cc(C2CCNCC2)ncc1F,CLCFEKVTWJOFEF-UHFFFAOYSA-N
-rxn:5:196859:226069:225832,Cc1nn(C2CCCCO2)c(C)c1-c1nccc(C2CCOCC2)c1-c1cccc(C2CCCCC2)c1,IYKOOYCOPHEZLY-UHFFFAOYSA-N
-rxn:5:196869:225832:226182,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(N2CCOCC2)c(-c2cccnc2C2CCCCC2)c1,FZEYDLTUEQZBNZ-UHFFFAOYSA-N
-rxn:5:196916:225577:225449,N#Cc1cc(N2CCCC2)ccc1-c1cc(-c2cccc(OC3CCCCC3)c2)ccc1N1CCCCC1=O,RBKIYPWTRXICRX-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:5:196970:223132:225832,Cc1nn(C2CCCCO2)c(C)c1-c1nccc(C2CCCCC2)c1-c1cccc(N2CCNCC2)c1,BSXARPJKTPTBGJ-UHFFFAOYSA-N
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-rxn:5:197876:223263:227052,CNC(=O)c1ccc(F)c(-c2cc3c(cc2-c2ccc(SC(C)(C)C)cc2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,BLLLBULHYZOOIA-UHFFFAOYSA-N
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-rxn:5:197876:225439:228182,CC(c1cccc(-c2cc3c(cc2-c2cccc(CC(F)F)c2)C(=O)N(C(C)(C)C)S3(=O)=O)c1)N1CCCC1,GFJFEPRVRKNIGH-UHFFFAOYSA-N
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-rxn:5:197876:225601:228761,COc1cc(-c2cc3c(cc2-c2ccc(C4(C#N)CCC4)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cnc1C,LQDGUUUVXPOHFV-UHFFFAOYSA-N
-rxn:5:197876:225602:227822,Cc1cccc(C(C)C)c1-c1cc2c(cc1-c1cc(C3(C#N)CCC3)ccc1F)S(=O)(=O)N(C(C)(C)C)C2=O,DNARPYVPBFSRAC-UHFFFAOYSA-N
-rxn:5:197876:225625:228591,CC(C)c1cnccc1-c1cc2c(cc1-c1cc(OC3CCCC3)ccc1F)S(=O)(=O)N(C(C)(C)C)C2=O,JUSNHKNKEUYIBS-UHFFFAOYSA-N
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-rxn:5:197876:225679:228587,Cc1cc(C#N)cc(-c2cc3c(cc2-c2ccc(N4CCCCC4)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,XAVCWDVMFVPXSE-UHFFFAOYSA-N
-rxn:5:197876:225706:226058,CC(C)c1cccc(C(C)C)c1-c1cc2c(cc1-c1cc3ncn(C(C)C)c3cc1F)S(=O)(=O)N(C(C)(C)C)C2=O,PUDOOBBWYXREOY-UHFFFAOYSA-N
-rxn:5:197876:225811:229169,CC(C)(C)N1C(=O)c2cc(-c3cscc3C(F)F)c(-c3ccc(C4(C(F)(F)F)CC4)cc3)cc2S1(=O)=O,OHGATJHLHPIAAQ-UHFFFAOYSA-N
-rxn:5:197876:225820:226199,CC(C)n1ncc2cc(-c3cc4c(cc3-c3c(C5CC5)cccc3C(F)(F)F)S(=O)(=O)N(C(C)(C)C)C4=O)ccc21,QGVHTETZBAFLFJ-UHFFFAOYSA-N
-rxn:5:197876:225822:227906,CCC(C)c1ncccc1-c1cc2c(cc1-c1cccc(C(F)(F)F)c1C1CC1)S(=O)(=O)N(C(C)(C)C)C2=O,TWAYVKWETJSFCM-UHFFFAOYSA-N
-rxn:5:197876:225823:227827,Cc1ccc(C2CC2)cc1-c1cc2c(cc1-c1cc(C(C)C)cc(C(F)(F)F)c1)S(=O)(=O)N(C(C)(C)C)C2=O,HSOYPOIKKPRDHW-UHFFFAOYSA-N
-rxn:5:197876:225936:228511,CC(C)c1ncc(C(F)(F)F)cc1-c1cc2c(cc1-c1ccc(C3CC3)cc1)C(=O)N(C(C)(C)C)S2(=O)=O,YUJFJKHCNUDUIQ-UHFFFAOYSA-N
-rxn:5:197876:226030:227052,COc1c(F)cc(-c2cc3c(cc2-c2ccc(SC(C)(C)C)cc2)C(=O)N(C(C)(C)C)S3(=O)=O)cc1C(F)(F)F,BRFZJDJCMMEIQP-UHFFFAOYSA-N
-rxn:5:197876:226031:223192,CNS(=O)(=O)c1cc(-c2cc3c(cc2-c2ccc(C(F)(F)F)cc2C(F)F)S(=O)(=O)N(C(C)(C)C)C3=O)ccc1F,LBCYTENDQJPDGO-UHFFFAOYSA-N
-rxn:5:197876:226031:223358,CC(=O)Nc1ccc(-c2cc3c(cc2-c2ccc(C(F)(F)F)cc2C(F)F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1,RHLLMUVNUYNLTI-UHFFFAOYSA-N
-rxn:5:197876:226031:227316,CC(C)Cc1cc(-c2cc3c(cc2-c2ccc(C(F)(F)F)cc2C(F)F)S(=O)(=O)N(C(C)(C)C)C3=O)cc(F)n1,GBRJHDJSBXJYQC-UHFFFAOYSA-N
-rxn:5:197876:226031:227900,CC(C#N)c1ccccc1-c1cc2c(cc1-c1ccc(C(F)(F)F)cc1C(F)F)S(=O)(=O)N(C(C)(C)C)C2=O,QPPCVDDJUURTOU-UHFFFAOYSA-N
-rxn:5:197876:226031:228419,CSc1cc(F)c(-c2cc3c(cc2-c2ccc(C(F)(F)F)cc2C(F)F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1F,RPKALYFBXRFUBU-UHFFFAOYSA-N
-rxn:5:197876:226031:228792,CSc1ccc(-c2cc3c(cc2-c2ccc(C(F)(F)F)cc2C(F)F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1F,AOYJWWLOQPMSQH-UHFFFAOYSA-N
-rxn:5:197876:226032:228796,COc1ccc(F)c(-c2cc3c(cc2-c2cc(OC)cc(C(F)(F)F)c2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,MWHSGGPMLIKGTQ-UHFFFAOYSA-N
-rxn:5:197876:226058:226912,Cc1cc(CC(C)C)cc(-c2cc3c(cc2-c2c(C(C)C)cccc2C(C)C)S(=O)(=O)N(C(C)(C)C)C3=O)c1,QQCSSQMSCDGBRP-UHFFFAOYSA-N
-rxn:5:197876:226058:228227,CC(C)c1ccc(-c2cc3c(cc2-c2c(C(C)C)cccc2C(C)C)S(=O)(=O)N(C(C)(C)C)C3=O)c(F)n1,RPLJPCJOGYZJCT-UHFFFAOYSA-N
-rxn:5:197876:226059:227863,CC(C)c1ccc(-c2cc3c(cc2-c2ccc4c(c2)CCCO4)C(=O)N(C(C)(C)C)S3(=O)=O)c(C(C)C)c1,WSEZOEBDUZRQCP-UHFFFAOYSA-N
-rxn:5:197876:226059:228435,CSc1ccc(F)c(F)c1-c1cc2c(cc1-c1ccc(C(C)C)cc1C(C)C)S(=O)(=O)N(C(C)(C)C)C2=O,NJEHKYAKMZVALM-UHFFFAOYSA-N
-rxn:5:197876:226062:227102,CC(C)c1cc(-c2cc3c(cc2-c2cc(C(C)(C)C)ccc2F)C(=O)N(C(C)(C)C)S3(=O)=O)cc(C(C)C)c1,FDUCQRRVDIGERP-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:5:197876:226068:223287,CNS(=O)(=O)c1ccc(-c2cc3c(cc2-c2c(C)cc(C(C)(C)C)cc2C)S(=O)(=O)N(C(C)(C)C)C3=O)cc1,PCLUIAILUMWCFY-UHFFFAOYSA-N
-rxn:5:197876:226068:225816,Cc1cc(C(C)(C)C)cc(C)c1-c1cc2c(cc1-c1cc(C3CC3)ccc1C(F)(F)F)C(=O)N(C(C)(C)C)S2(=O)=O,ZBFOGYUQSWGUDH-UHFFFAOYSA-N
-rxn:5:197876:226084:226884,CC(C)(C)N1C(=O)c2cc(-c3c(F)cc(C(F)(F)F)cc3F)c(-c3ccc4c(c3)C(=O)CCCC4)cc2S1(=O)=O,RLELGQROGGJNCY-UHFFFAOYSA-N
-rxn:5:197876:226085:227835,Cc1ccc(-c2cc3c(cc2-c2ccc4c(c2)CCC(C)(C)O4)S(=O)(=O)N(C(C)(C)C)C3=O)cc1C1CC1,YGLMVEDGEWAWMU-UHFFFAOYSA-N
-rxn:5:197876:226183:227019,CC(C)(C#N)c1cccc(-c2cc3c(cc2-c2cnccc2C2CCCCC2)S(=O)(=O)N(C(C)(C)C)C3=O)c1,IOXLFTHRJDBVPB-UHFFFAOYSA-N
-rxn:5:197876:226188:225887,Cc1cc([Si](C)(C)C)c(C)cc1-c1cc2c(cc1-c1cc3cccc(C(F)(F)F)c3s1)C(=O)N(C(C)(C)C)S2(=O)=O,UDDNETGBKFGZME-UHFFFAOYSA-N
-rxn:5:197876:226190:227040,Cc1ccc(OC(C)C)c(-c2cc3c(cc2-c2ccc(C4CCCC4)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,NMABVNUDXONHAY-UHFFFAOYSA-N
-rxn:5:197876:226190:227124,CC(C)(C)c1ccc(-c2cc3c(cc2-c2ccc(C4CCCC4)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c(F)c1,GOTLSUFVFLTOID-UHFFFAOYSA-N
-rxn:5:197876:226190:228107,CCC(C)c1ncncc1-c1cc2c(cc1-c1ccc(C3CCCC3)cc1F)S(=O)(=O)N(C(C)(C)C)C2=O,JDZJFBQNEGEIMW-UHFFFAOYSA-N
-rxn:5:197876:226190:228276,COc1c(-c2cc3c(cc2-c2ccc(C4CCCC4)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)ccc(F)c1C,HFGPAPYIRKOCRO-UHFFFAOYSA-N
-rxn:5:197876:226325:228713,CC(C)(C#N)c1ccc(-c2cc3c(cc2-c2ccn(C(C)(C)C)n2)C(=O)N(C(C)(C)C)S3(=O)=O)c(F)c1,ZXWRYQNYFLIYIN-UHFFFAOYSA-N
-rxn:5:197876:226331:227019,CC(C)(C#N)c1cccc(-c2cc3c(cc2-c2ccc(C4(C#N)CC4)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,RNJMYVAHEWDAEN-UHFFFAOYSA-N
-rxn:5:197876:226331:228219,CC(C)c1cc(F)c(-c2cc3c(cc2-c2ccc(C4(C#N)CC4)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cn1,OSLLTXSQLBIXCD-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:5:197876:226437:226917,Cc1cc(-c2cc3c(cc2-c2cc(C4CCCC4)ncc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc(C(C)(C)C)c1,WTCIAIPTVMONKQ-UHFFFAOYSA-N
-rxn:5:197876:226582:226058,CC(C)c1cccc(C(C)C)c1-c1cc2c(cc1-c1ccc(C(=O)N(C)C)cc1F)S(=O)(=O)N(C(C)(C)C)C2=O,SIRWLNSGENKAPU-UHFFFAOYSA-N
-rxn:5:197876:226582:227834,Cc1cc(-c2cc3c(cc2-c2ccc(C(=O)N(C)C)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)ccc1C1CC1,UZALEYNBYAHUAZ-UHFFFAOYSA-N
-rxn:5:197876:226589:226069,CC(C)c1cnc(C(F)F)cc1-c1cc2c(cc1-c1cccc(C3CCCCC3)c1)C(=O)N(C(C)(C)C)S2(=O)=O,XCVLEIZAAIYEDL-UHFFFAOYSA-N
-rxn:5:197876:226589:226589,CC(C)c1cnc(C(F)F)cc1-c1cc2c(cc1-c1cc(C(F)F)ncc1C(C)C)S(=O)(=O)N(C(C)(C)C)C2=O,RLGNXLNUZXOKES-UHFFFAOYSA-N
-rxn:5:197876:226591:227901,CC(C)Cc1ccc(-c2cc3c(cc2-c2ccc(OC(C)C)c(F)c2F)S(=O)(=O)N(C(C)(C)C)C3=O)cn1,NETARFYFGSUQIV-UHFFFAOYSA-N
-rxn:5:197876:226592:227810,CCC(C)c1ccc(-c2cc3c(cc2-c2cc(F)c(F)cc2OC(C)C)S(=O)(=O)N(C(C)(C)C)C3=O)cc1,UHPIUKUVPBJSMF-UHFFFAOYSA-N
-rxn:5:197876:226598:223309,CC(C)Nc1ccc(-c2cc3c(cc2-c2cc(OC(C)C)c(F)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1,BACBCVTZXGDSAE-UHFFFAOYSA-N
-rxn:5:197876:226601:226914,Cc1cc(CC(C)C)ccc1-c1cc2c(cc1-c1c(OC(C)C)ccc(F)c1F)S(=O)(=O)N(C(C)(C)C)C2=O,WYIMCZZJXBOLHJ-UHFFFAOYSA-N
-rxn:5:197876:226601:227904,CCN(C)c1ccc(-c2cc3c(cc2-c2c(OC(C)C)ccc(F)c2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1,IVKLSQFDLVAARV-UHFFFAOYSA-N
-rxn:5:197876:226658:228282,CC(F)(F)c1ccccc1-c1cc2c(cc1-c1ccc(N3CCCC3)nc1F)S(=O)(=O)N(C(C)(C)C)C2=O,TURIWUOGLDBYBC-UHFFFAOYSA-N
-rxn:5:197876:226736:227065,CC(C)C(=O)c1cccc(-c2cc3c(cc2-c2ccc(C(F)(F)F)cc2C#N)S(=O)(=O)N(C(C)(C)C)C3=O)c1,JYOAJGNHKONQLJ-UHFFFAOYSA-N
-rxn:5:197876:226742:226914,Cc1cc(CC(C)C)ccc1-c1cc2c(cc1-c1ccc(C#N)cc1C(F)(F)F)S(=O)(=O)N(C(C)(C)C)C2=O,OKNVNNIXGYYKOX-UHFFFAOYSA-N
-rxn:5:197876:226745:226968,CCc1ncc(C(F)(F)F)cc1-c1cc2c(cc1-c1ccc3c(c1)OC(C)(C)C3)C(=O)N(C(C)(C)C)S2(=O)=O,XNJOIRVOABMOTH-UHFFFAOYSA-N
-rxn:5:197876:226745:228434,CCc1ncc(C(F)(F)F)cc1-c1cc2c(cc1-c1ccc(C(F)F)c(F)c1)C(=O)N(C(C)(C)C)S2(=O)=O,JUMZXEZZAZXJJB-UHFFFAOYSA-N
-rxn:5:197876:226753:227819,CCc1cc(CC)cc(-c2cc3c(cc2-c2ccc(OC)cc2C(F)(F)F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,DKMINOJBDRCGAP-UHFFFAOYSA-N
-rxn:5:197876:226753:228113,CCc1nc(OC)ccc1-c1cc2c(cc1-c1ccc(OC)cc1C(F)(F)F)S(=O)(=O)N(C(C)(C)C)C2=O,VSCMMQHVURJNRG-UHFFFAOYSA-N
-rxn:5:197876:226761:227025,CCc1ncc(C2CC2)cc1-c1cc2c(cc1-c1ccc(SC)cc1C(F)(F)F)S(=O)(=O)N(C(C)(C)C)C2=O,PYYWUDWSLZXPPK-UHFFFAOYSA-N
-rxn:5:197876:226762:228348,CSc1cc(-c2cc3c(cc2-c2ccc(N(C)C)nc2F)C(=O)N(C(C)(C)C)S3(=O)=O)cc(C(F)(F)F)c1,WBVRBGQUPJPVHH-UHFFFAOYSA-N
-rxn:5:197876:226767:228721,COc1ccc(C(F)(F)F)c(-c2cc3c(cc2-c2ccnn2C(C)(C)C)C(=O)N(C(C)(C)C)S3(=O)=O)c1,IVKFSWHXIIZQSJ-UHFFFAOYSA-N
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-rxn:4:178384:228490,O=S(=O)(F)c1cccc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c1,NCGNATRQRVVCCV-UHFFFAOYSA-N
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-rxn:4:183872:224286,COCCOc1cc(-c2ccc(OCCN3CCOCC3)c(Cl)c2)ccc1C(=O)N1CCCCC1,ZUTHBPRUCIHKOV-UHFFFAOYSA-N
-rxn:4:183880:224591,CC1CCN(Cc2cc(-c3ccc(OCC4CN(C(=O)OC(C)(C)C)C4)c(F)c3)ccc2Cl)CC1,SMPHOVKMYHYJIE-UHFFFAOYSA-N
-rxn:4:183900:223075,CC(C)N(Cc1ccc(F)cc1-c1ccc(NS(=O)(=O)C2CC2)cc1)C(=O)OC(C)(C)C,DPHOXAGTSPWUBT-UHFFFAOYSA-N
-rxn:4:183933:223098,CC(=O)NS(=O)(=O)c1ccc(-c2cccc(CN(C(=O)OC(C)(C)C)C3CC3)c2C)cc1,FXLQPDWKSHQELT-UHFFFAOYSA-N
-rxn:4:183934:224619,COC(=O)C1CCN(CCCc2ccccc2-c2ccc(OCCN3CCCC3)c(F)c2)CC1,GWZGEWQXYPETCF-UHFFFAOYSA-N
-rxn:4:183962:223934,Cc1cc(OCC2CN(C(=O)OC(C)(C)C)C2)cc(-c2cc3ccc(F)cc3n2C(=O)OC(C)(C)C)c1,RYCIKWSMYFKRMX-UHFFFAOYSA-N
-rxn:4:183963:223556,Cc1cccc(OCC2CN(C(=O)OC(C)(C)C)C2)c1-c1ccc2c(c1)c1ccccc1n2C(=O)OC(C)(C)C,YCMLMQGWXXTICA-UHFFFAOYSA-N
-rxn:4:183969:224579,CCOC(=O)C1CCN(S(=O)(=O)c2ccc(-c3cc(-n4cnc(C)c4)ccc3C3CC3)c(OC)c2)CC1,ZPFSYRVVKOIOFE-UHFFFAOYSA-N
-rxn:4:183983:222907,Cc1ccc(-c2ccncc2NC(=O)OC(C)(C)C)cc1CN(C(=O)OC(C)(C)C)C(C)C,UXXXBBIXSKWEPG-UHFFFAOYSA-N
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-rxn:4:184099:228432,CSc1c(Cl)ccc(-c2ccc(C(C)N(C(=O)OC(C)(C)C)C3CCC(C)(C)CC3)cc2)c1F,QLBLMPQSEMQGLY-UHFFFAOYSA-N
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-rxn:4:187250:225350,COC(=O)c1ccc(-c2ccc(C(F)(F)F)cc2C(=O)OC)c(CN2CCCC(F)(F)C2)c1,YBBFQQVXSSAMKM-UHFFFAOYSA-N
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-rxn:4:187282:222604,COc1ccc(-c2ccc(OCCN3CCCC(C)C3)cc2)cc1S(=O)(=O)NC1CCCC1,LLVNMOWQAWLMNU-UHFFFAOYSA-N
-rxn:4:187282:224249,CC1CCCN(CCOc2ccc(-c3cc(C(=O)N4CCCC(C)C4)ccc3F)cc2)C1,CQACHKADTLUEBG-UHFFFAOYSA-N
-rxn:4:187302:223842,CC1CCN(CCOc2ccc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCC(C)CC3)cc2F)CC1,WGUWSZXXBWNETQ-UHFFFAOYSA-N
-rxn:4:187311:224244,CC1CCN(C(=O)c2cc(-c3cc(Cl)cc(F)c3OCCN3CCCC(C)C3)ccc2Cl)CC1,OKSVQSBKMNSPGM-UHFFFAOYSA-N
-rxn:4:187313:222702,CCOc1ccc(-c2cc(C3CCCNC3)ccc2C(F)(F)F)cc1S(=O)(=O)N1CCCCC1,QQHCRGSTXYWATF-UHFFFAOYSA-N
-rxn:4:187318:222944,COC(=O)c1ccc(-c2ccc(S(=O)(=O)NC3CC3)cc2F)c(CN2CCOC(C)C2)c1,LWIVQEAKYFKWNQ-UHFFFAOYSA-N
-rxn:4:187321:223501,CCOc1cccc(-c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c(Cl)c2)c1CN1CCCC(F)(F)C1,QRDWPYJKTKXNFA-UHFFFAOYSA-N
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-rxn:4:187374:224182,Cc1cc(-c2cccc(S(=O)(=O)CC(=O)N3CCC(C)CC3)c2)ccc1OCCN1CCOCC1,PJIHFFNEPPRRKT-UHFFFAOYSA-N
-rxn:4:187378:223785,CCN1CCN(CCOc2ccc(-c3ccccc3S(=O)(=O)CC(=O)N3CCCC(C)C3)cc2Cl)CC1,PZJTVKGGVBZVMN-UHFFFAOYSA-N
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-rxn:4:187428:222818,COC(=O)c1cc(-c2cc(C(=O)OC)c(NC(C)=O)cc2F)ccc1CN1CCCCC1C,SLKPXAPJSMJEPS-UHFFFAOYSA-N
-rxn:4:187428:223832,COC(=O)c1cc(-c2cc(S(=O)(=O)N3CCC(C)CC3)ccc2OC)ccc1CN1CCCCC1C,CXNDFQSTSDZFNL-UHFFFAOYSA-N
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-rxn:4:187429:224885,COC(=O)c1cc(CN2CCC(C)CC2)cc(-c2ccccc2CN2CCC(C)CC2)c1,QYQGFPQWRSSTIH-UHFFFAOYSA-N
-rxn:4:187431:224291,COC(=O)c1cc(CN2CCCCC2C)cc(-c2ccc(OCCN3CCOCC3)c(F)c2)c1,UDWVZUQTXCQSFH-UHFFFAOYSA-N
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-rxn:4:187440:225829,CC1CCN(c2ncc(-c3coc(C4CCCN(C(=O)OC(C)(C)C)C4)c3)cn2)CC1,BKEOBKRAAFCFLM-UHFFFAOYSA-N
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-rxn:4:187505:226003,COC(=O)c1ccc([N+](=O)[O-])cc1-c1ccc(C2CN(C(=O)OC(C)(C)C)CCO2)c(Cl)c1,NBMNEBGWCPUJTF-UHFFFAOYSA-N
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-rxn:4:187557:226421,CC(C)(C)OC(=O)N1C(=O)CCC[C@@H]1c1ccc(-c2ccc(Cl)cc2N2CCCC2)cc1,DUJKPOPWXNJYER-JOCHJYFZSA-N
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-rxn:4:187587:226773,COC(=O)c1c(Cl)ccc(-c2ccc(C3CCN(C(=O)OC(C)(C)C)CC3)c(Cl)c2)c1F,LGBFTNBEOWQXLH-UHFFFAOYSA-N
-rxn:4:187590:224187,CC(C)(C)OC(=O)N1CCCC(c2ccc(-c3ccc(OCCN4CCCCC4)cc3F)c(F)c2)C1,JEVKEAVVXVIEFR-UHFFFAOYSA-N
-rxn:4:187594:224278,CC(C)(C)OC(=O)N1CCCC(c2cc(F)cc(-c3cnc4c(ccn4C(=O)OC(C)(C)C)c3)c2)C1,QJNBWDTXRGSNSD-UHFFFAOYSA-N
-rxn:4:187632:223078,CCNS(=O)(=O)c1ccc(-c2ccc(C3(C)CN(C(=O)OC(C)(C)C)CCO3)cc2)c(C)c1,CXRAVSFHKQCWAP-UHFFFAOYSA-N
-rxn:4:187632:225568,COC(=O)C(C)(C)c1ccc(-c2ccc(C3(C)CN(C(=O)OC(C)(C)C)CCO3)cc2)cc1,UCRHWXWPOOZQOG-UHFFFAOYSA-N
-rxn:4:187657:226032,CCN(C1CCCCC1)S(=O)(=O)c1cc(C)c(C)cc1-c1cc(OC)cc(C(F)(F)F)c1F,CAZRYFGJWXWKFZ-UHFFFAOYSA-N
-rxn:4:187660:223889,Cc1ccc(-c2cccc3c2CN(C(=O)OC(C)(C)C)CC3)c(C2CCCN(C(=O)OC(C)(C)C)C2)c1,XHVTYVQULWMVKM-UHFFFAOYSA-N
-rxn:4:187660:225899,Cc1ccc(-c2cc(C)nn2C(=O)OC(C)(C)C)c(C2CCCN(C(=O)OC(C)(C)C)C2)c1,ILITZEWUUTVMDU-UHFFFAOYSA-N
-rxn:4:187663:223788,Cc1cc(-c2ccc(OC3CN(C(=O)OC(C)(C)C)C3)cc2)ccc1C1CCCN(C(=O)OC(C)(C)C)C1,TXPVWZQKVXZYRE-UHFFFAOYSA-N
-rxn:4:187663:224371,COC(=O)C1CCN(c2ncc(-c3ccc(C4CCCN(C(=O)OC(C)(C)C)C4)c(C)c3)cn2)CC1,UPQAWEACZMPUKX-UHFFFAOYSA-N
-rxn:4:187663:224720,Cc1cc(-c2cn(C(=O)OC(C)(C)C)nc2C2CC2)ccc1C1CCCN(C(=O)OC(C)(C)C)C1,PODOWQARMMFTBC-UHFFFAOYSA-N
-rxn:4:187663:225561,Cc1cc(-c2ccccc2C(=O)OC(C)(C)C)ccc1C1CCCN(C(=O)OC(C)(C)C)C1,JDWKAOSVERHJFX-UHFFFAOYSA-N
-rxn:4:187665:224361,CCN(CC)S(=O)(=O)c1cc(-c2cccc(C3CCN(C(=O)OC(C)(C)C)CC3C)c2)ccc1OC,YWTFNAXOFIGILL-UHFFFAOYSA-N
-rxn:4:187667:223818,Cc1c(-c2c(F)cc(F)c3c2ccn3C(=O)OC(C)(C)C)cccc1C1CCCN(C(=O)OC(C)(C)C)C1,BKXGFYQIXMHPOK-UHFFFAOYSA-N
-rxn:4:187670:223490,Cc1ccc(-c2cc(Cl)cc(C3CCN(C(=O)OC(C)(C)C)CC3C)c2)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,WOYMLUVEXYXMSK-UHFFFAOYSA-N
-rxn:4:187670:225901,Cc1nn(C(=O)OC(C)(C)C)cc1-c1cc(Cl)cc(C2CCN(C(=O)OC(C)(C)C)CC2C)c1,IQYHZJIFCFPPFE-UHFFFAOYSA-N
-rxn:4:187688:225801,O=C(c1ccc(CN2CCC3(CC2)OCCO3)cc1)c1ccc(-c2ccnc(OC3CCCC3)c2Cl)c(F)c1,FZZQHCWMHPSTLK-UHFFFAOYSA-N
-rxn:4:187824:223557,COc1ccc2c(c1)c(-c1c(F)ccc3c1ccn3[Si](C(C)C)(C(C)C)C(C)C)cn2C(=O)OC(C)(C)C,KLYKOQLVDMHZFX-UHFFFAOYSA-N
-rxn:4:187847:223044,CC(C)NC(=O)c1ccc(-c2cc3c(cc2C(F)F)N(C(=O)OC(C)(C)C)CC3)cc1F,USXNKWYPGCWBSK-UHFFFAOYSA-N
-rxn:4:187918:222483,COc1cc(-c2cc(C(=O)Nc3ccc(C)cc3C)ccc2F)cc2c1OCCN(C(=O)OC(C)(C)C)C2,HFDSCXCOBHNZNP-UHFFFAOYSA-N
-rxn:4:187920:223980,CCOc1cc(S(=O)(=O)N2CCc3ccccc3C2)ccc1-c1cccc(S(=O)(=O)N2CCN(CC)CC2)c1,WZIYKZWMAVPODN-UHFFFAOYSA-N
-rxn:4:187970:223635,CC(C)[Si](C(C)C)(C(C)C)n1cc(-c2ccc(C3CCN(C(=O)OC(C)(C)C)CC3)cc2)c2ccccc21,SHJZQASLWAEPPR-UHFFFAOYSA-N
-rxn:4:187973:225341,CCOc1ccc(OC(F)(F)F)c(-c2ccccc2C(=O)N2C3CCC2CC(S(=O)(=O)c2ccccc2)C3)c1,NVTOULGTWVFCDX-UHFFFAOYSA-N
-rxn:4:188932:224008,COC(=O)c1cc(Cl)c(S(N)(=O)=O)c(-c2cc(C(=O)N3CCOCC3)cc([N+](=O)[O-])c2)c1,ZIBGQOGGOMLVCB-UHFFFAOYSA-N
-rxn:4:189379:223929,CN(C)S(=O)(=O)c1ccc(-c2cnc3c(c2)CCN(C(=O)OC(C)(C)C)C3)c(C(F)(F)F)c1,JZRIMZNWWLLJQF-UHFFFAOYSA-N
-rxn:4:189700:224485,CC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2ccc(C(=O)N(C)C3CCS(=O)(=O)C3)o2)c1,YRBZDUDOIGOQBH-UHFFFAOYSA-N
-rxn:4:189712:223898,CC(C)N(C(=O)OC(C)(C)C)c1ccc(-c2cc(C(C)(F)F)cc(S(=O)(=O)N(C)C)c2)cc1,ZKCHBEWRBUCFDI-UHFFFAOYSA-N
-rxn:4:189835:223842,CC1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2cc(CN3CCCC3)cc(C(F)(F)F)c2)CC1,PPQMWJYJELSJNV-UHFFFAOYSA-N
-rxn:4:189867:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(S(=O)(=O)N2CCCC2)cc1C(F)(F)F,RYRGBPWHOKULLH-UHFFFAOYSA-N
-rxn:4:189867:222701,O=S(=O)(c1ccc(-c2cc(C3CCCNC3)cc(C(F)(F)F)c2)c(C(F)(F)F)c1)N1CCCC1,NFPZTSYYSIBVDJ-UHFFFAOYSA-N
-rxn:4:189944:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3cccc(CS(=O)(=O)N4CCOCC4)c3)c2)CC1,CKRWGCHNKUTBKZ-UHFFFAOYSA-N
-rxn:4:190015:223493,COc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1cc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)ccc1C,KRASPICSRSJODF-UHFFFAOYSA-N
-rxn:4:190018:224368,CN(C(=O)OC(C)(C)C)c1cc(-c2ccccc2C(=O)N(C)C2CCS(=O)(=O)C2)cnc1Cl,NCSLFHMYABZXLF-UHFFFAOYSA-N
-rxn:4:190116:222722,CCc1cc(-c2cccc(S(=O)(=O)N3CCC(O)CC3)c2)ccc1S(=O)(=O)N1CCCC1,UPJZBNCPLARJQV-UHFFFAOYSA-N
-rxn:4:190143:223970,COC1CCN(C(=O)c2cccc(-c3ccc(C)c(S(=O)(=O)N4CCC(C)CC4)c3)c2F)CC1,BHRXDABXBISCCK-UHFFFAOYSA-N
-rxn:4:190143:224589,COC1CCN(C(=O)c2cccc(-c3ccc(F)cc3CN3CCC(C)CC3)c2F)CC1,IVBFWPXJMDMDNM-UHFFFAOYSA-N
-rxn:4:190274:223835,COc1cc(S(=O)(=O)N2CCOCC2)c(C)cc1-c1cc(S(=O)(=O)N2CCC(C)CC2)c(C)cc1F,IPEUOTQUUGLBNK-UHFFFAOYSA-N
-rxn:4:190276:225302,CN(C(=O)c1ccc(-c2cc(C(F)(F)F)ncc2C(C)(C)C)cc1)C1(C)CCS(=O)(=O)C1,DVPOEGOPBZBLAA-UHFFFAOYSA-N
-rxn:4:190276:225370,COC(=O)c1cc(-c2ccc(C(=O)N(C)C3(C)CCS(=O)(=O)C3)cc2)cc(C(F)(F)F)n1,SJKQPJCFEJOIOG-UHFFFAOYSA-N
-rxn:4:190304:223598,CC1CCN(CCc2ccc(-c3ccc(OCCN4CCC5(CC4)OCCO5)c(F)c3)cc2)CC1,LSZPMGZGSIIOKD-UHFFFAOYSA-N
-rxn:4:190315:223840,COc1ccc(-c2cc(CCN3CCC(C)CC3)ccc2F)cc1S(=O)(=O)N1CCN(C)CC1,UZNBAZMWPYAWAQ-UHFFFAOYSA-N
-rxn:4:190321:222799,COc1cc(-c2ccc(S(=O)(=O)NC(C)(C)C)c(C)c2)ccc1C(=O)N1CCCC(C)C1,MJGNQPJXHLKMIZ-UHFFFAOYSA-N
-rxn:4:190355:222466,CC1CCN(S(=O)(=O)c2cc(-c3cc(C4CCCCC4)nc(C4CCNCC4)c3)cc(C(F)(F)F)c2)CC1,CHCNAIYBIWSBMF-UHFFFAOYSA-N
-rxn:4:190379:223835,COc1cc(S(=O)(=O)N2CCCC(C)C2)ccc1-c1cc(S(=O)(=O)N2CCC(C)CC2)c(C)cc1F,RNQUGWFFNZUFPM-UHFFFAOYSA-N
-rxn:4:190380:222741,COc1cc(S(=O)(=O)N2CCCCCC2)ccc1-c1cc(C2CC2)nc(C2CCCNC2)c1,GOTPAFZJQCWPDW-UHFFFAOYSA-N
-rxn:4:190451:223529,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1ccc(CN2CCN(C(=O)OC(C)(C)C)CC2)c(F)c1,VGADPLDVYXMARH-UHFFFAOYSA-N
-rxn:4:190451:223540,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1cc(S(=O)(=O)N2CCC3(CC2)OCCO3)ccc1OC,LWEGTNCBJPGVKJ-UHFFFAOYSA-N
-rxn:4:190662:223898,CCOC(=O)C1CCCc2sc(-c3ccc(N(C(=O)OC(C)(C)C)C(C)C)cc3)nc21,YZPTYWYYNZGSET-UHFFFAOYSA-N
-rxn:4:190903:223557,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3cccc4c3N(C(=O)OC(C)(C)C)CCO4)c(F)ccc21,PEOKDWCZXRQJJO-UHFFFAOYSA-N
-rxn:4:190926:224561,Cc1c(O[Si](C)(C)C(C)(C)C)cccc1-c1ccc2c(c1)N(C(=O)OC(C)(C)C)CCC2=O,CMANCLKBFZBIDC-UHFFFAOYSA-N
-rxn:4:190928:222638,COC(=O)c1cc2c(c(-c3cccc(C(C)NC(=O)OC(C)(C)C)c3)c1)N(C(C)C)CCC2=O,QKVPDHWDMOIZMU-UHFFFAOYSA-N
-rxn:4:190954:222635,C[C@H](NC(=O)OC(C)(C)C)c1cccc(-c2ccc3c(c2)CCCN3C(=O)OC(C)(C)C)c1,CSQSWEIBDFTANS-SFHVURJKSA-N
-rxn:4:190954:222809,CC(C)(C)OC(=O)Nc1cnc(Cl)cc1-c1ccc2c(c1)CCCN2C(=O)OC(C)(C)C,ASSVAOGJFUTMGA-UHFFFAOYSA-N
-rxn:4:190975:222918,CC(C)(C)NS(=O)(=O)c1cccc(-c2ccc3c(c2)C(F)(F)CCN3C(=O)OC(C)(C)C)c1,ZZRLVDIAZOOAMU-UHFFFAOYSA-N
-rxn:4:190977:223098,CC(=O)NS(=O)(=O)c1ccc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3(F)F)cc1,ITPYALIYCAPBHK-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:4:191029:223534,Cc1c(-c2cc(OC3CCN(C(=O)OC(C)(C)C)CC3)ncc2F)ccc2c1CCN(C(=O)OC(C)(C)C)C2,FZKPTHHBUROSAM-UHFFFAOYSA-N
-rxn:4:191029:224371,COC(=O)C1CCN(c2ncc(-c3ccc4c(c3C)CCN(C(=O)OC(C)(C)C)C4)cn2)CC1,AQDNHHQNHKGNNB-UHFFFAOYSA-N
-rxn:4:191036:224835,CC1Cc2cc(-c3cc(C(F)(F)F)nn3S(=O)(=O)N(C)C)ccc2CN1C(=O)OC(C)(C)C,OCOGPSJNFSVAFU-UHFFFAOYSA-N
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-rxn:4:203951:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2cncc([C@@H]3CCCN3[S@@](=O)C(C)(C)C)c2)cc1,ODAVYUUXCNSAFI-BGOLNKOXSA-N
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-rxn:4:204115:223538,O=S(=O)(c1ccccc1-c1ccnc2c1cc(C(F)F)n2S(=O)(=O)c1ccccc1)N1CCCN(C2CCC2)CC1,SQBNQFOSFRXLEX-UHFFFAOYSA-N
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-rxn:4:204643:223992,CSC1CC2CCC(C1)N2C(=O)c1cncc(-c2ccc(C)c(S(=O)(=O)N3CCN(C)CC3)c2)c1,HTVBUKQLNGDUAR-UHFFFAOYSA-N
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-rxn:4:204682:224246,Cc1cc2c(c(-c3ccc(C(=O)N4CCC(C)CC4)c(F)c3)n1)CN(C(=O)OC(C)(C)C)CC2,MUPSPVPYLXGUNM-UHFFFAOYSA-N
-rxn:4:204706:224863,CC(C)N(Cc1ccccc1-c1ccc(N2C(=NC(=O)C3CC3)SC3CS(=O)(=O)CC32)c(F)c1)C(C)C,SLAUZIJCAIZKPQ-UHFFFAOYSA-N
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-rxn:4:206351:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3ccc(C(=O)N4CCOCC4)cn3)ccn2)CC1,NNBRENKLJSXQPH-UHFFFAOYSA-N
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-rxn:4:206697:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3cnc(C4CCCN(S(C)(=O)=O)C4)s3)c2)CC1,LJNCLBNFTKVTHR-UHFFFAOYSA-N
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-rxn:4:206970:223867,CC1CCN(CCCOc2cccc(-c3cc(N4CCC(C)CC4)c([N+](=O)[O-])cc3F)c2)CC1,CXUUJHWYOPQCAI-UHFFFAOYSA-N
-rxn:4:207081:225877,CC1(C)OCC2(CO1)CN(C(=O)c1cncc(-c3ccc(Cl)cc3N3CCOCC3)c1)C2,VMYUXQKBNMFKPL-UHFFFAOYSA-N
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-rxn:4:207959:225047,Cc1ccc(C2=NN3C(C2)c2cc(-c4cnc(N5CCC(C)CC5)c(C)c4)ccc2OC3C2CCCCC2)cc1,GALJYFLWCYKEHB-UHFFFAOYSA-N
-rxn:4:209639:223589,Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1cnc(N2CCOCC2)c(F)c1,NRLVUCHJJWRYFZ-UHFFFAOYSA-N
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-rxn:4:210710:223480,Cc1cc(-c2cnc3c(ccn3C3CCC3)c2)cc(C)c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,MXPFBIUVJKMQRA-UHFFFAOYSA-N
-rxn:4:211060:223842,CC1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2ccc3c(c2)CCCC3N2CCN(C)CC2)CC1,AGBGQUFMHJAPNW-UHFFFAOYSA-N
-rxn:4:211100:224164,Cc1cc2cnn(C3CCCCO3)c2cc1-c1ccc2c(c1)C1CC(c3ccc(Cl)cc3)=NN1C1(CCC(C)CC1)O2,NSNUQERAYGNDBZ-UHFFFAOYSA-N
-rxn:4:212526:226245,CCCCOc1ccc(-c2cc([N+](=O)[O-])ccc2OCCN2CCC(C#N)CC2)cc1F,RRADCCGSAVYFPA-UHFFFAOYSA-N
-rxn:4:212542:223602,CCOCC(=O)N1CCCC(Oc2ncc(-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3Cl)cn2)C1,UATSQXGQLKXDRP-UHFFFAOYSA-N
-rxn:4:212593:224277,CN(C(=O)c1ccc(-c2ccnc3c2ccn3C(=O)OC(C)(C)C)nc1)C1CN(C(=O)OC(C)(C)C)C1,UUXDZDICWNBJBK-UHFFFAOYSA-N
-rxn:4:212597:224256,Cc1cccc(OCC(=O)N2CCC(Oc3ncc(-c4ccc(Cl)c(C(=O)N5CCCCC5C)c4)cn3)C2)c1,GBPVUCLLCVGUDX-UHFFFAOYSA-N
-rxn:4:212609:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3nccn3CC3CCN(C(=O)OCc4ccccc4)CC3)c2Cl)CC1,VBPJSTVMQHYIDY-UHFFFAOYSA-N
-rxn:4:212620:222465,O=C(Cc1ccc(F)cc1-c1cc(C2CCCCC2)nc(C2CCCNC2)c1)N1CCC(COc2ncccn2)CC1,NZVLCJDGIGHJFS-UHFFFAOYSA-N
-rxn:4:212630:226183,O=C(c1cncc(-c2cnccc2C2CCCCC2)c1)N1CCCC(COc2ncccc2C(F)(F)F)C1,DNSRJKNMXURHNL-UHFFFAOYSA-N
-rxn:4:212630:226374,O=C(c1cncc(-c2cncnc2C2CCCCC2)c1)N1CCCC(COc2ncccc2C(F)(F)F)C1,KYDUQLQYZOSSCY-UHFFFAOYSA-N
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-rxn:4:212658:223637,COC(=O)c1ncc(-c2ccccc2C2CCCN(C(=O)OC(C)(C)C)C2)cc1N1CCN(C(=O)OC(C)(C)C)CC1,USXXOZWIWNMEDB-UHFFFAOYSA-N
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-rxn:4:212676:225172,Cc1cc(OCC2CCN(C(=O)Cc3ccccc3-c3cc(CN4CCOCC4)ccc3F)CC2)ncn1,OOBKSDGVYBZNAZ-UHFFFAOYSA-N
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-rxn:4:212839:223199,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4cccc(C5CCNC5)c4)ccn23)CC1,QSBMQCZYKGVKCX-UHFFFAOYSA-N
-rxn:4:212905:223929,CC(C)(C)OC(=O)N1CCc2cc(-c3ccnc(OC4CN(C(=O)OC(C)(C)C)C4)n3)cnc2C1,HGRXMHRYTQWPCW-UHFFFAOYSA-N
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-rxn:4:212989:222780,CN(C)CCNC(=O)c1cc(F)cc(-c2ncc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)s2)c1,GEUQCRAQCXFADJ-UHFFFAOYSA-N
-rxn:4:212989:224160,CC(C)(C)OC(=O)N1CCN(C(=O)c2cnc(-c3ccc4c(c3)CCN4C(=O)OC(C)(C)C)s2)CC1,HRSQHODTSQXOQD-UHFFFAOYSA-N
-rxn:4:212995:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3cc(F)ccc3CC(=O)N3CC(Cn4ccnc4C)C3)cc2)CC1,KKYVEOVHPBYHIN-DUYHBEBVSA-N
-rxn:4:213010:223520,CC(c1ccc(-c2cnn(C[C@@H]3CN(C(=O)OC(C)(C)C)CCO3)c2)cc1)N1CCN(C(=O)OC(C)(C)C)CC1,CMMLWEJRGGSLLR-XGCAABAXSA-N
-rxn:4:213010:224273,CC(C)(C)OC(=O)N1CCO[C@H](Cn2cc(-c3cc4ncccc4n3C(=O)OC(C)(C)C)cn2)C1,HMHYYZARXJUCLG-SFHVURJKSA-N
-rxn:4:213041:223592,CC(C)(C)OC(=O)N1CCC(Oc2cnc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)cc3Cl)cn2)CC1,LDAYGIMSCPKDJW-UHFFFAOYSA-N
-rxn:4:213048:223489,COc1ccc(S(=O)(=O)N2CC(Cn3cc(-c4ccc(S(=O)(=O)N5CCC(O[Si](C)(C)C(C)(C)C)CC5)cc4)cn3)C2)cc1C,RPCVDDHFQYJSEG-UHFFFAOYSA-N
-rxn:4:213053:224718,O=C(C1CC(F)(F)C1)N1CCCC(COc2ncc(-c3ccc(OCCN4CCOCC4)nc3)cn2)C1,ZCVBPPNOMMWMDF-UHFFFAOYSA-N
-rxn:4:213095:226716,CC(C)(C)OC(=O)N1CCN(c2ccc(C#N)cc2-c2ccn(C(=O)OC(C)(C)C)n2)CC1,FZEPIHHNVPCURX-UHFFFAOYSA-N
-rxn:4:213096:223860,CC(C)(C)OC(=O)N1CCN(c2cc(-c3ccccc3CN3CCCc4ccccc43)ccc2C#N)CC1,MSIJLCFOOJTMBD-UHFFFAOYSA-N
-rxn:4:213097:223061,CC(C)(C)OC(=O)N1CCC(C#N)(c2ccc(-c3cc(C4CCNCC4)ncc3F)cn2)CC1,XEUVLGISDUFEOE-UHFFFAOYSA-N
-rxn:4:213112:224753,Cc1ccc(OCC2CCN(S(=O)(=O)c3ccccc3-c3cc(S(=O)(=O)N4CCCC4)ccc3C)C2)nn1,NTQWGGITWZEWFZ-UHFFFAOYSA-N
-rxn:4:213126:226539,CCOC(=O)c1ccc(Cl)cc1-c1ccc(CN2CCN(C(=O)OC(C)(C)C)CC2)cn1,JUDVHCQXXBBJKQ-UHFFFAOYSA-N
-rxn:4:213130:222928,Cc1nc(N2CCC(O)CC2)ncc1-c1cncc(CN2CCN(C(=O)OC(C)(C)C)CC2)c1,HIPFDZKQVJQMDE-UHFFFAOYSA-N
-rxn:4:213130:223810,Cc1cc(-c2cncc(CN3CCN(C(=O)OC(C)(C)C)CC3)c2)cc(C)c1S(=O)(=O)N1CCC(C)CC1,MTYNZRNYYIDZIH-UHFFFAOYSA-N
-rxn:4:213131:222982,CC(C)(C)C(=O)N1CCC(COc2ncc(-c3ccc(CN4CC[C@@H](O)C4)cc3)cn2)CC1,YKIRQHXRMZPALW-HSZRJFAPSA-N
-rxn:4:213131:226236,CCCCOc1ncc(C)cc1-c1cnc(OCC2CCN(C(=O)C(C)(C)C)CC2)nc1,ODKDEEMZKGRQEX-UHFFFAOYSA-N
-rxn:4:213132:222948,CC(C)(C)C(=O)N1CCCC(COc2ncc(-c3cnc(N4CCC(O)CC4)nc3Cl)cn2)C1,IMIJKPNUJBNSTK-UHFFFAOYSA-N
-rxn:4:213132:223166,CC(C)(C)C(=O)N1CCCC(COc2ncc(-c3ccc(N4CCNCC4)nc3)cn2)C1,YQNQKHOAOVWHJO-UHFFFAOYSA-N
-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:4:213152:224101,COc1ccc(-c2cccc(OCCN3CCC(C)CC3)c2)cc1CN1CCC(Oc2ncc(F)cn2)CC1,SNVFETROCFBTCD-UHFFFAOYSA-N
-rxn:4:213162:222604,COc1ccc(S(=O)(=O)N2CCC(Oc3ncc(-c4ccc(OC)c(S(=O)(=O)NC5CCCC5)c4)cn3)CC2)cc1F,HKQOFRFQEZTSGH-UHFFFAOYSA-N
-rxn:4:213178:225313,Cc1cc(C(=O)N2CCCC(COc3ncc(-c4ccc(N5CCN(C)CC5)nc4F)cn3)C2)c(C)o1,PBSSWFZHKBOKQT-UHFFFAOYSA-N
-rxn:4:213195:222634,O=C(C1CCOCC1)N1CCC(COc2ncc(-c3ccc(OCCNC4CCCC4)c(F)c3)cn2)CC1,VFRKFHMCMNCQNG-UHFFFAOYSA-N
-rxn:4:213203:224322,Cc1ccc(OCC2CCN(S(=O)(=O)c3ccc(-c4ccc(S(=O)(=O)N5CCC(C)CC5)cc4)cc3)CC2)nn1,SNJLINRUGGCXCQ-UHFFFAOYSA-N
-rxn:4:213213:225361,CN(c1cccc(-c2cn(C3CCCC3)nc2C(F)(F)F)n1)C1CCN(C(=O)OC(C)(C)C)CC1,OOSIJXWJCHOOGX-UHFFFAOYSA-N
-rxn:4:213218:223596,C[C@H]1CN(Cc2ccc(-c3ccc(Cl)cc3N3CCN(C(=O)OC(C)(C)C)CC3)cn2)CCN1C(=O)OC(C)(C)C,PVGPBSFLPTUBJI-QFIPXVFZSA-N
-rxn:4:213236:224820,COc1ccc(S(=O)(=O)N2CCCC(Oc3ncc(-c4cccc(S(=O)(=O)N5CCOCC5)c4)cn3)C2)cc1C,DSCNSJLLLKUUFN-UHFFFAOYSA-N
-rxn:4:213272:225977,O=C(c1ccc(N2CCOCC2)cc1)N1CCC(Oc2ccc(-c3cc(Cl)cnc3N3CCOCC3)cn2)C1,XMUCOHUXVISZRT-UHFFFAOYSA-N
-rxn:4:213278:223993,COc1cccc(-c2noc(C3CCCN(S(=O)(=O)c4ccc(-c5ccc(S(=O)(=O)N6CCN(C)CC6)c(C)c5)cc4)C3)n2)c1,SDWXLPWXWLLGKU-UHFFFAOYSA-N
-rxn:4:213279:222741,Cc1ccc(S(=O)(=O)N2N=C(c3ccc(-c4cc(C5CC5)nc(C5CCCNC5)c4)cc3)CC2c2cccc([N+](=O)[O-])c2)cc1,GUFCVDCJBZXSSI-UHFFFAOYSA-N
-rxn:4:213289:226068,Cc1cc(C(C)(C)C)cc(C)c1-c1cnc(C(C)(C)C)nc1C1CCN(C(=O)OC(C)(C)C)CC1,NIHVFQZJLBUZFG-UHFFFAOYSA-N
-rxn:4:213336:223122,COC(=O)c1nc(-c2cccc(NC(=O)C(C)C)c2)n2c1CCN(C(=O)OC(C)(C)C)CC2,HZWPGTOKGNTZEM-UHFFFAOYSA-N
-rxn:4:213378:224244,CC1CCN(C(=O)c2cc(-c3cnc(OC4CCCN(C(=O)Cc5cccc6ccccc56)C4)nc3)ccc2Cl)CC1,GORPIAOOOGULTH-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:4:213388:225640,CC1CCCCN1c1cc(-c2ccnc3c2ccn3CC2CCN(C(=O)OC(C)(C)C)CC2)ccn1,SJVBEZYOTWCWLA-UHFFFAOYSA-N
-rxn:4:213395:225926,O=C(Cn1ccc2ccc(-c3ccc(S(=O)(=O)N4CCC4)cc3)cc21)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1,LLZCRNCIXHINGN-UHFFFAOYSA-N
-rxn:4:213456:223481,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3cccc(CSc4nc5c(sc6ncccc65)c(=O)n4Cc4ccc(Cl)cc4)c3)c(F)c2)CC1,NHPYLGXQXXKDKL-UHFFFAOYSA-N
-rxn:4:213459:224198,CCN1CCN(Cc2ccc(-c3ccc4c(c3)C(c3ccccn3)=C[C@@H](CCC(=O)OC)c3ncc(C)n3-4)c(F)c2)CC1,PDMDJWSUGFAJIG-HHHXNRCGSA-N
-rxn:4:213626:223493,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1cnn(C2CN(C(=O)OC(C)(C)C)C2)c1,PHFFDRDSYRMBPW-UHFFFAOYSA-N
-rxn:4:213626:224624,CC(C)(C)COC(=O)c1ccc(Cl)cc1-c1cnn(C2CN(C(=O)OC(C)(C)C)C2)c1,USSBRSOJHMUXGO-UHFFFAOYSA-N
-rxn:4:213660:224759,CCOC(=O)N1CCN(c2ccc(-c3cc(F)cc(C(=O)N4CCOCC4)c3)cn2)CC1,GXJKZCFUOPURJQ-UHFFFAOYSA-N
-rxn:4:213755:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3csc(N4CCN(C(=O)OC(C)(C)C)CC4)n3)ccn2)CC1,SPIQKNOLDDGVBL-UHFFFAOYSA-N
-rxn:4:213758:222946,CS(=O)(=O)N1CCCCC1CCc1cnc(-c2cnc(N3CCCCC3O)nc2Cl)cn1,GHAUWTFQANXATB-UHFFFAOYSA-N
-rxn:4:213764:223644,CCOC(=O)C1CCCN(C(=O)c2ccc(-c3cnc(C4CCN(C(=O)OC(C)(C)C)C4)cn3)cc2)C1,JOAAYHIEOUSNOR-UHFFFAOYSA-N
-rxn:4:213765:223659,CC(C)(C)OC(=O)N1CCC(Cn2cc(-c3cncc(C4CCN(C(=O)OC(C)(C)C)C4)n3)cn2)CC1,QJCWTSOVLRHOQV-UHFFFAOYSA-N
-rxn:4:213778:223997,CCN1CCN(c2ccc(-c3cc(C)c(S(=O)(=O)N4CCOCC4)c(C)c3)c(C(=O)OC)n2)CC1,HODXIZTYPHCIMA-UHFFFAOYSA-N
-rxn:4:213778:224319,CCN1CCN(c2ccc(-c3ccc(S(=O)(=O)N4CCCCC4)cc3C)c(C(=O)OC)n2)CC1,XOXGDFGQJLEBKY-UHFFFAOYSA-N
-rxn:4:213778:225264,CCN1CCN(c2ccc(-c3ccc(C(=O)OC)c(C(=O)OC)c3)c(C(=O)OC)n2)CC1,SOFLHKKDXSKSSD-UHFFFAOYSA-N
-rxn:4:213799:222584,CC(C)(C)OC(=O)N1CCOC(c2cc(-c3ccc(OCCCN4CCNCC4)c(F)c3)ncn2)C1,PROLATRXTQHQTI-UHFFFAOYSA-N
-rxn:4:213799:222634,CC(C)(C)OC(=O)N1CCOC(c2cc(-c3ccc(OCCNC4CCCC4)c(F)c3)ncn2)C1,VYJWXXQVURFMCZ-UHFFFAOYSA-N
-rxn:4:213801:222546,CC(C)(C)OC(=O)N1CCOC(c2cncc(-c3ccc(OCCNC4CCCCC4)c(F)c3)n2)C1,RBNYGQSYVDMNIJ-UHFFFAOYSA-N
-rxn:4:213803:225170,CC(C)(C)OC(=O)N1CCOCC1c1ncc(-c2cc(F)ccc2CN2CCOCC2)cn1,TXWLCUHLFDGKFK-UHFFFAOYSA-N
-rxn:4:213843:225312,CN1CCCN(c2ncc(-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4=O)c3)cn2)CC1,NQUZZHMQJMQTKQ-UHFFFAOYSA-N
-rxn:4:213849:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2cnc(OC3CCN(C(=O)C4CCCO4)CC3)nc2)CC1,AHDUIIBZWPVJCU-UHFFFAOYSA-N
-rxn:4:213868:223489,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3cnc(OC4CCCN(S(=O)(=O)c5cccc(Cl)c5)C4)nc3)cc2)CC1,GAEOPDJSDLEWIJ-UHFFFAOYSA-N
-rxn:4:213871:223489,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3cnc(OC4CCCN(S(=O)(=O)c5ccc(F)c(F)c5)C4)nc3)cc2)CC1,DMDCYGRFTNFTHL-UHFFFAOYSA-N
-rxn:4:213875:225977,CC(C)(C)OC(=O)N1CCN(c2cccc(-c3cc(Cl)cnc3N3CCOCC3)n2)CC1,LUXRDGIYLHYHFF-UHFFFAOYSA-N
-rxn:4:213876:224718,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc(OCCN4CCOCC4)nc3)nc2)CC1,ITEKLXCDRUQUJZ-UHFFFAOYSA-N
-rxn:4:213877:226502,CC(C)(C)OC(=O)N1CCN(c2ccnc(-c3ccn(C(=O)OC(C)(C)C)c3)c2)CC1,KYVVBWUUANDTBA-UHFFFAOYSA-N
-rxn:4:213880:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3ccncc3N3CCN(C(=O)OC(C)(C)C)CC3)ccn2)CC1,UUCPUHRBEFPZKQ-UHFFFAOYSA-N
-rxn:4:213880:225875,CC(C)(C)OC(=O)N1CCN(c2cnccc2-c2ccc(N3CCOCC3)cc2Cl)CC1,PZQDFWCKFRLZMK-UHFFFAOYSA-N
-rxn:4:213888:223636,CC(C)(C)OC(=O)N1CCCC(c2ccc(-c3cncc(C4CCCN(C(=O)OC(C)(C)C)C4)n3)cc2)C1,RAYBNBIXHOJXGQ-UHFFFAOYSA-N
-rxn:4:213889:223998,CC1CCN(S(=O)(=O)c2ccc(-c3cc(C4CCCN(C(=O)OC(C)(C)C)C4)ncn3)cc2F)CC1,DDJATYHGPFTRJZ-UHFFFAOYSA-N
-rxn:4:213894:225977,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cc(Cl)cnc3N3CCOCC3)cn2)CC1,HCBNQLYYCNBZBV-UHFFFAOYSA-N
-rxn:4:213894:225980,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cc(N4CCOCC4)ncc3F)cn2)CC1,PORIJGQXJRVIFJ-UHFFFAOYSA-N
-rxn:4:213897:225977,CC(C)(C)OC(=O)N1CCN(c2ccncc2-c2cc(Cl)cnc2N2CCOCC2)CC1,RADCRFJDORWGLQ-UHFFFAOYSA-N
-rxn:4:213898:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnc(OC4CCN(C(=O)C(C)(C)C)CC4)nc3)cc2)CC1,HTJCJJKGTMXKFE-RQNOJGIXSA-N
-rxn:4:213901:225898,CC(C)(C)OC(=O)N1CCN(c2nc(Cl)ccc2-c2cnn(CCN3CCOCC3)c2)CC1,LIIWNDSLCRMDFT-UHFFFAOYSA-N
-rxn:4:213930:222546,Cc1ccc(C(=O)N2CCCC(Oc3ncc(-c4ccc(OCCNC5CCCCC5)c(F)c4)cn3)C2)cc1F,AWKAREXZLRNXQP-UHFFFAOYSA-N
-rxn:4:213931:223897,Cc1ccc(-c2cc(C(F)(F)F)cnc2N2CCOC(C(=O)N3CCCC3)C2)cc1OCCCN1CCOCC1,SROPRXCGSAHENU-UHFFFAOYSA-N
-rxn:4:213938:222538,O=S(=O)(c1ccc(-c2cc(C3CCCC3)nc(C3CCNCC3)c2)cc1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1,CLMPADZBNOBJDU-UHFFFAOYSA-N
-rxn:4:213938:222723,O=S(=O)(Nc1cccc(-c2ccc(S(=O)(=O)N3CCN(c4ccc(C(F)(F)F)cn4)CC3)cc2)c1)N1CCOCC1,USRKVIHFIFBHCO-UHFFFAOYSA-N
-rxn:4:213942:223529,Cc1nn(C2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccc(CN2CCN(C(=O)OC(C)(C)C)CC2)c(F)c1,GYVPEGSZHTVINU-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:4:213944:224274,CC1CN(C(=O)OC(C)(C)C)CCC1c1ncc(-c2cc3cnccc3n2C(=O)OC(C)(C)C)[nH]1,YDFILCSDMNZXCB-UHFFFAOYSA-N
-rxn:4:213960:223602,Cc1cnccc1OCC1CCN(c2ncccc2-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2Cl)CC1,LEISLCSOYQZBTH-UHFFFAOYSA-N
-rxn:4:213985:223687,Cc1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)c(-c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2)c1,XZYFEGJMNMAKCW-UHFFFAOYSA-N
-rxn:4:213985:223931,Cc1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)c(-c2cc3ccc(Cl)cc3n2C(=O)OC(C)(C)C)c1,GLKOHZDLZKQZAS-UHFFFAOYSA-N
-rxn:4:213988:225979,CC(C)(C)OC(=O)N1CCCN(c2ccc(-c3cnc(N4CCOCC4)c(Cl)c3)cn2)CC1,RLQCWDPICGNSNT-UHFFFAOYSA-N
-rxn:4:213990:224158,Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1-c1ccc2c(ccn2C(=O)OC(C)(C)C)c1,SNFWVFLEKBVBLC-UHFFFAOYSA-N
-rxn:4:214018:224187,CC(=O)N1N=C(c2ccc(-c3ccc(OCCN4CCCCC4)cc3F)cc2)CC1c1ccc(N(C)C)cc1,FPBUDXXPOWSPSD-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:4:214036:223823,CN(C)c1ccc(C2CC(c3ccc(-c4cnn(C5CCN(C(=O)OC(C)(C)C)CC5)c4)cc3)=NN2S(C)(=O)=O)cc1,WFJYCZNXTGSSTM-UHFFFAOYSA-N
-rxn:4:214065:224704,Cc1nn(C(=O)c2ccc(-c3cc(F)c(F)c(N4CCC(C)CC4)c3)cc2)c(C)c1S(=O)(=O)N1CCC(C)CC1,DCSIGOWLIQHUMK-UHFFFAOYSA-N
-rxn:4:214065:225575,COC(=O)c1ccc(-c2ccc(C(=O)n3nc(C)c(S(=O)(=O)N4CCC(C)CC4)c3C)cc2)cc1C1CC1,ZRAIKQIZOUOQPC-UHFFFAOYSA-N
-rxn:4:214065:225728,CCCCOc1ccc(-c2ccc(C(=O)n3nc(C)c(S(=O)(=O)N4CCC(C)CC4)c3C)cc2)c(F)c1F,XIPOTBQNFBVBDS-UHFFFAOYSA-N
-rxn:4:214074:222920,Cc1cc(S(=O)(=O)NC2CC2)ccc1-c1ccc(S(=O)(=O)n2nc(C)c(S(=O)(=O)N3CCCC(C)C3)c2C)cc1,YRICIYKOTFKCRT-UHFFFAOYSA-N
-rxn:4:214083:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3ccccc3-c3noc(C4CCN(S(=O)(=O)c5ccc(C)c(C)c5)CC4)n3)c2)CC1,LVXHNWAYKQRELL-UHFFFAOYSA-N
-rxn:4:214180:222584,CC(C)(C)OC(=O)N1CC(c2cc3ccc(-c4ccc(OCCCN5CCNCC5)c(F)c4)cn3n2)C1,SJCRNKZAYYJUDC-UHFFFAOYSA-N
-rxn:4:214180:223885,CC(C)(C)OC(=O)N1CCc2ccc(-c3ccc4cc(C5CN(C(=O)OC(C)(C)C)C5)nn4c3)cc2C1,IBEKGEMJPATAAV-UHFFFAOYSA-N
-rxn:4:214202:223527,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)ccc2-c2cnc([C@@H]3[C@H]4CC[C@H](C4)N3C(=O)OC(C)(C)C)nc2)CC1,LMLLFIFQCGVVSQ-KHMOSXFSSA-N
-rxn:4:214202:223935,CC(C)(C)OC(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1c1ncc(-c2cc3cccc(F)c3n2C(=O)OC(C)(C)C)cn1,ZSYJXLNJYAUNOU-GWJPWWOOSA-N
-rxn:4:214273:225803,CC(C)(C)OC(=O)N1CCC(n2cnc3ccc(-c4ccnc(OC5CCOCC5)c4)cc32)CC1,VFQYRRHOEHPKJZ-UHFFFAOYSA-N
-rxn:4:214630:223670,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2c(C3CC3)n[nH]c2C(=O)N2CCOCC2)CC1,WLJOUYDGHSHUOM-UHFFFAOYSA-N
-rxn:4:214661:225518,CCCCCOc1ncc(C)cc1-c1c(C(=O)N2CCCC(C(F)(F)F)C2)cnn1C,BQUQRPWUUMFSHV-UHFFFAOYSA-N
-rxn:4:214711:223696,CCS(=O)(=O)N1CCN(c2ccc(-c3ccc(S(=O)(=O)N4CCC5(CC4)OCCO5)cc3)cn2)CC1,ANDYPNWHHJLDKP-UHFFFAOYSA-N
-rxn:4:214752:223608,CC(C)N1CCN(C(=O)c2ccc(F)c(-c3ccc(OC(F)(F)F)c(S(=O)(=O)N4CCOCC4)c3)n2)CC1,KSXVKUNRUZWUQT-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:4:214805:222465,O=S(=O)(C1CC1)N1CCCN(c2ccc(-c3cc(C4CCCCC4)nc(C4CCCNC4)c3)cn2)CC1,VOOBFLGQENNAGM-UHFFFAOYSA-N
-rxn:4:214818:223595,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(N4CCN(C(=O)C5CCCO5)CC4)c(Cl)c3)cc2F)CC1,BNNWLKCLROUJAS-UHFFFAOYSA-N
-rxn:4:214829:226496,CCN(CC)c1cc(F)c(-c2cccnc2N2CCOC(C(=O)N3CCSCC3)C2)cn1,VTSKTRCUMWOWPW-UHFFFAOYSA-N
-rxn:4:214830:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3ccc(N4CCOC(C(=O)N5CCSCC5)C4)nc3)c2Cl)CC1,DQKPXLOFZRRASJ-UHFFFAOYSA-N
-rxn:4:214835:223650,CC(C)(C)OC(=O)N1CCN(c2ccccc2-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCOCC3)C2)CC1,HUNLRTRYGYYKOC-UHFFFAOYSA-N
-rxn:4:214835:224182,Cc1cc(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCOCC3)C2)ccc1OCCN1CCOCC1,HAJBUGYOAPBGHH-UHFFFAOYSA-N
-rxn:4:214837:227275,CCCOc1c(F)cccc1-c1cnc(N2CCOC(C(=O)N3CCSCC3)C2)c(Cl)c1,VSJRVANNSASFQD-UHFFFAOYSA-N
-rxn:4:214838:223062,O=C(C1CN(c2ncc(-c3cnc(C4CCNCC4)cc3F)cc2F)CCO1)N1CCOCC1,JCWWGTAUEDGBFS-UHFFFAOYSA-N
-rxn:4:214838:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cnc(N4CCOC(C(=O)N5CCOCC5)C4)c(F)c3)ccn2)CC1,CSIAMBRULSCRGR-UHFFFAOYSA-N
-rxn:4:214838:226249,CCCCOc1cc(Cl)cc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)c(F)c2)c1,LGTATADMPVQOBJ-UHFFFAOYSA-N
-rxn:4:214839:223595,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(N4CCOC(C(=O)N5CCSCC5)C4)c(F)c3)cc2F)CC1,MVZROSIPZMYYQY-UHFFFAOYSA-N
-rxn:4:214852:225801,O=C(c1cncc(-c2ccnc(OC3CCCC3)c2Cl)c1)N1CCC(N2CCCC2)CC1,KCVLDYPJTCVBTM-UHFFFAOYSA-N
-rxn:4:214862:222584,O=C(c1cncc(-c2ccc(OCCCN3CCNCC3)c(F)c2)c1)N1CCCN(C2CCSC2)CC1,CMVRPJHMJSHYRM-UHFFFAOYSA-N
-rxn:4:214867:226231,CCCCOc1ncc(-c2cnc(N3CCOC(C(=O)N4CCCC4)C3)c(C)c2)cc1C,CRGALDFZTVMCJZ-UHFFFAOYSA-N
-rxn:4:214867:226259,CCCCOc1ccc(-c2cnc(N3CCOC(C(=O)N4CCCC4)C3)c(C)c2)cc1Cl,MIINLIWKXJMYDW-UHFFFAOYSA-N
-rxn:4:214870:222741,O=C(C1CCCN(c2ncc(Cl)cc2-c2cc(C3CC3)nc(C3CCCNC3)c2)C1)N1CCOCC1,XCCGBTGIMXBOIL-UHFFFAOYSA-N
-rxn:4:214873:224393,O=C(C1CCCN(c2ncc(-c3cc(C(F)(F)F)ccc3N3CCOCC3)cc2F)C1)N1CCOCC1,PBTIJHDFYBIYTO-UHFFFAOYSA-N
-rxn:4:214873:224672,CCN1CCN(c2ccc(-c3cnc(N4CCCC(C(=O)N5CCOCC5)C4)c(F)c3)c(Cl)c2)CC1,HCKZLUFMWAJMQH-UHFFFAOYSA-N
-rxn:4:214874:226231,CCCCOc1ncc(-c2cnc(N3CCOC(C(=O)N4CCCCC4)C3)c(F)c2)cc1C,QWJADEWSGSOBJR-UHFFFAOYSA-N
-rxn:4:214874:226554,CCCOc1cc(F)c(-c2cnc(N3CCOC(C(=O)N4CCCCC4)C3)c(F)c2)cc1F,ADGFIDRDLLHMRS-UHFFFAOYSA-N
-rxn:4:215054:222825,CC(C)(C)NS(=O)(=O)c1ccc(Cl)cc1-c1ncn2c1CCN(C(=O)OC(C)(C)C)C2=O,JXPFWNQPDMJYLN-UHFFFAOYSA-N
-rxn:4:215097:223491,CC1CN(C(=O)OC(C)(C)C)Cc2cnc(-c3cc(N4CCN(C(=O)OC(C)(C)C)CC4)cc(C(F)(F)F)c3)n21,OYQPROHYMHRYDT-UHFFFAOYSA-N
-rxn:4:215102:223880,Cc1ccc2c(c1)cc(-c1cn3c(n1)CCN(C(=O)OC(C)(C)C)CC3)n2C(=O)OC(C)(C)C,OHYFFUWAYYFTNQ-UHFFFAOYSA-N
-rxn:4:215170:222913,O=C(c1cncc(-c2ccc(CNS(=O)(=O)C3CC3)cc2)c1)N1CC(N2C(=O)C3CC=CCC3C2=O)C1,BQXKBYQMPRKGPT-UHFFFAOYSA-N
-rxn:4:215232:224672,CCN1CCN(c2ccc(-c3ccc4ccc(N5CCCC(C(=O)N6CCOCC6)C5)nc4c3)c(Cl)c2)CC1,FCDPJYLVYLUHBR-UHFFFAOYSA-N
-rxn:4:215285:225709,COc1ccc(N2C(=O)C3C(C2=O)N2CCCN2C3c2ccc(-c3ccc(OCCCN(C)C)nc3)cc2)cc1,KXSYINNPPGHLLJ-UHFFFAOYSA-N
-rxn:4:215295:225218,CC1CCCN(c2ncc(-c3cnc4n3CCc3ccccc3C43CCN(C(=O)OC(C)(C)C)CC3)cc2Cl)C1,DDDXDSCFZYZYCX-UHFFFAOYSA-N
-rxn:4:215295:225526,CCN(CC)C(=O)c1cccc(-c2cnc3n2CCc2ccccc2C32CCN(C(=O)OC(C)(C)C)CC2)c1,SXTZBPYVEMJVGH-UHFFFAOYSA-N
-rxn:4:215870:222466,CCN1CCN(c2ccc(-c3cc(C4CCCCC4)nc(C4CCNCC4)c3)nc2)CC1,QJFPJXRFBZGHDK-UHFFFAOYSA-N
-rxn:4:215876:223786,CCc1nc(N2CCN(C)CC2)sc1-c1ccc(OCCCN2CCN(C)CC2)c(Cl)c1,OWMNCSLBQOEIRG-UHFFFAOYSA-N
-rxn:4:215907:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(S(=O)(=O)N2CCN(C)CC2)nc1,MEFGHGYQVFFJSG-UHFFFAOYSA-N
-rxn:4:215942:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3ncccc3N3CCC(N(C)C)CC3)c2)CC1,PVQQOJRZKWVUCN-UHFFFAOYSA-N
-rxn:4:216184:223505,Cc1ccc(S(=O)(=O)n2nc(-c3ccc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)cc3)c3cccnc32)cc1,WQHZOKBIQPHNQP-UHFFFAOYSA-N
-rxn:4:217168:223542,CN1CCC(c2cnc(-c3ccc(OC(F)(F)F)c(S(=O)(=O)N4CCN(C)CC4)c3)cn2)CC1,XCVIWEXJBAIDPP-UHFFFAOYSA-N
-rxn:4:217202:222542,Cc1ccc(-c2cnc(N3CCN(C)C(=O)C3)c(C)c2)cc1OCCCN1CCNCC1,AAPNDJWGHXTPOW-UHFFFAOYSA-N
-rxn:4:217824:223505,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(-c3nccc4cnn(C5CCCCO5)c34)cc2)CC1,YFCUOIQFFCNSEY-UHFFFAOYSA-N
-rxn:4:217907:223150,CN(C)CCNc1cc(-c2ccc3c(c2)C2CC(c4ccc(Cl)cc4)=NN2C2(CCN(C)CC2)O3)ccn1,OGJQSQNPXNQZDQ-UHFFFAOYSA-N
-rxn:4:217907:226473,CN(C)CCOc1ncccc1-c1ccc2c(c1)C1CC(c3ccc(Cl)cc3)=NN1C1(CCN(C)CC1)O2,PPJXZTBVZJVMCD-UHFFFAOYSA-N
-rxn:4:217907:226474,CN(C)CCOc1cncc(-c2ccc3c(c2)C2CC(c4ccc(Cl)cc4)=NN2C2(CCN(C)CC2)O3)c1,CRPHRADMMPRCQF-UHFFFAOYSA-N
-rxn:4:218567:223602,CN(CC1CN(C(=O)OC(C)(C)C)C1)c1cnc(-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2Cl)cn1,ZKERJNZNXKBWKX-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:4:218600:225767,CC(C)COc1c(F)cc(-c2cnn(CCN3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1F,ISIYVUXPCURCSI-UHFFFAOYSA-N
-rxn:4:218600:225877,CC(C)(C)OC(=O)N1CCN(CCn2cc(-c3ccc(Cl)cc3N3CCOCC3)cn2)CC1,RQMRHNDNGMQPNE-UHFFFAOYSA-N
-rxn:4:218615:224720,CN(CC1CCN(C(=O)OC(C)(C)C)C1)c1cnc(-c2cn(C(=O)OC(C)(C)C)nc2C2CC2)cn1,HVPSJFRYPRNWGU-UHFFFAOYSA-N
-rxn:4:218621:224853,CC1(C)CCC(c2ccc(-c3cnc(OC4CCN(S(=O)(=O)CCN5C(=O)CCCC5=O)C4)nc3)cc2)CC1,KBHMXYLMFGIAKK-UHFFFAOYSA-N
-rxn:4:218631:225238,O=C1C(N2CCC(COc3ncc(-c4cnc(-c5ccc(F)cc5)c(Cl)c4)cn3)CC2)CCN1CC(F)(F)F,QMMGNXQWGHCVBY-UHFFFAOYSA-N
-rxn:4:218652:222812,CN(CC1CCN(C(=O)OC(C)(C)C)CC1)c1cnc(-c2cnc(Cl)c(NC(=O)OC(C)(C)C)c2)cn1,ULPMWEIIRHXCRT-UHFFFAOYSA-N
-rxn:4:218666:225172,CC(C)(C)c1ccc(OCC2CCN(C(=O)c3cncc(-c4cc(CN5CCOCC5)ccc4F)c3)C2)nn1,RDBURYBDYLGNSD-UHFFFAOYSA-N
-rxn:4:218677:224010,CCOc1ccc(-c2ccc(N3CCN(C(=O)c4ccc(-c5cc(S(=O)(=O)N6CCOCC6)ccc5OC)o4)CC3)nn2)cc1,CVOKBHKGEZEEKG-UHFFFAOYSA-N
-rxn:4:218681:224378,CC(=O)N1CCC(C(=O)N2CCC(COc3ncc(-c4cnc(N5CCCCC5)c(C(F)(F)F)c4)cn3)CC2)CC1,DQJAKIYEGQYWNX-UHFFFAOYSA-N
-rxn:4:218714:223810,Cc1cc(C)c(S(=O)(=O)N2CCN(C(=O)CCn3nc(C)c(-c4cc(C)c(S(=O)(=O)N5CCC(C)CC5)c(C)c4)c3C)CC2)c(C)c1,HISZNRBZFYRLQX-UHFFFAOYSA-N
-rxn:4:218754:223498,CC(C)(C)OC(=O)N1CCC(n2c(=O)c3scc(-c4ccc(C(=O)N5CCCN(C(=O)OC(C)(C)C)CC5)cc4)c3n(CC#N)c2=O)CC1,OJMKXZQBBADWMF-UHFFFAOYSA-N
-rxn:4:218768:225304,COc1ccc(CCC(=O)N2Cc3cnc(N4CCOCC4)nc3C2)cc1-c1cc(C(F)(F)F)cnc1C(C)(C)C,BNZAXEUBDGDZRT-UHFFFAOYSA-N
-rxn:4:218777:223136,Cc1nn(C(C)CC(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)c(C)c1-c1ccncc1C1CCCNC1,BEBAHLYEYQXQSG-UHFFFAOYSA-N
-rxn:4:218778:225218,Cc1cc(Cn2c(N3CC4(CN(C(=O)OC(C)(C)C)C4)C3)nc3c(-c4cnc(N5CCCC(C)C5)c(Cl)c4)cc(Cl)cc32)cc(C)c1F,XWTUZONUNCGUGL-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:4:218786:222986,Cc1cc(-c2cccc3c4c([nH]c23)CCN(C(=O)CCC(=O)N2CCN(S(C)(=O)=O)CC2)C4)cc(C2CCCNC2)n1,GMHAABYJPIUQBB-UHFFFAOYSA-N
-rxn:4:218868:226177,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3ccnc(C4CCCCC4)c3)cc2)no1,CFIOCUSQMNAEQS-UHFFFAOYSA-N
-rxn:4:218868:226382,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3cnc(C4CCCCC4)nc3)cc2)no1,NRIFPPDGBBMRLQ-UHFFFAOYSA-N
-rxn:4:218868:226663,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3ccc(N4CCSCC4)nc3)cc2)no1,JNLSAFKFNYGOIW-UHFFFAOYSA-N
-rxn:4:218886:224759,Cc1ncsc1C(=O)N1CCCC(COc2ncc(-c3cc(F)cc(C(=O)N4CCOCC4)c3)cn2)C1,OKHGXSOYZSZYHX-UHFFFAOYSA-N
-rxn:4:218915:223533,Cc1nc(CN2CCCC(COc3ncc(-c4ccc(CN5CCN(C(=O)OC(C)(C)C)CC5)cc4F)cn3)C2)cs1,VECRYHHFYOZXIT-UHFFFAOYSA-N
-rxn:4:218919:222546,Cc1cc(=O)n(CC(=O)N2CCC(Oc3ccncc3-c3ccc(OCCNC4CCCCC4)c(F)c3)C2)cn1,DEJXHDXNBGGPBB-UHFFFAOYSA-N
-rxn:4:218919:222634,Cc1cc(=O)n(CC(=O)N2CCC(Oc3ccncc3-c3ccc(OCCNC4CCCC4)c(F)c3)C2)cn1,AILZGSAIZHOMQC-UHFFFAOYSA-N
-rxn:4:218971:224400,Cc1nc(C)c(C(=O)N2CCC(COc3ncc(-c4ccc(N5CCOCC5)c(C(F)(F)F)c4)cn3)CC2)s1,RKHOMDZGCWKYCY-UHFFFAOYSA-N
-rxn:4:218972:224483,Cc1nc(C)c(C(=O)N2CCCC(COc3ncc(-c4ccc(OCCN5CCCCC5)cc4)cn3)C2)s1,GLAAAPMCAWQALL-UHFFFAOYSA-N
-rxn:4:218991:223556,Cn1cc(-c2ccc3c(c2)c2ccccc2n3C(=O)OC(C)(C)C)c(CN2CCN(C(=O)OC(C)(C)C)CC2)n1,NTOAWHNRBNNOAZ-UHFFFAOYSA-N
-rxn:4:219002:222634,Cn1cccc(C(=O)N2CCCC(COc3ncc(-c4ccc(OCCNC5CCCC5)c(F)c4)cn3)C2)c1=O,RCYZIRWAHUJKGC-UHFFFAOYSA-N
-rxn:4:219028:222499,Cc1ccc(S(=O)(=O)NCc2ccccc2)cc1-c1c(C(=O)N2CCN(C(=O)OC(C)(C)C)C(C)C2)cnn1C,NPWISPRJABYRIS-UHFFFAOYSA-N
-rxn:4:219038:223812,Cn1nc(-c2ccccc2)cc1C(=O)N1CCC(Oc2ccncc2-c2cc(F)cc(CN3CCC4(CC3)OCCO4)c2)C1,FTOBPYYHZNIQTG-UHFFFAOYSA-N
-rxn:4:219046:223812,O=C1C(N2CCCC(COc3ncc(-c4cc(F)cc(CN5CCC6(CC5)OCCO6)c4)cn3)C2)CCN1C1CC1,FCKWZBJQSHCICO-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:4:219108:223699,O=C(Cn1cnc2ccccc21)N1CCC(Oc2ccc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3C(F)(F)F)cn2)C1,XBDOYGGSBZHCSQ-UHFFFAOYSA-N
-rxn:4:219120:224483,O=C(c1cncc(-c2ccc(OCCN3CCCCC3)cc2)c1)N1CC2CCCC2(COc2ncc(F)cn2)C1,PLIVXMMMMLLTPP-UHFFFAOYSA-N
-rxn:4:219120:224592,N#CC1(c2ccc(F)c(-c3cncc(C(=O)N4CC5CCCC5(COc5ncc(F)cn5)C4)c3)c2)CCCCC1,KEOHQFCYPPVATN-UHFFFAOYSA-N
-rxn:4:219120:225093,CCCOc1c(Cl)cc(-c2cncc(C(=O)N3CC4CCCC4(COc4ncc(F)cn4)C3)c2)cc1OCC,RXQQWCDPZZHPAC-UHFFFAOYSA-N
-rxn:4:219125:222926,Cc1nc(N2CCCC(O)C2)ncc1-c1ccccc1CCC(=O)N1C2CCC1CC(n1nccn1)C2,CXTKALWTRJIVKK-UHFFFAOYSA-N
-rxn:4:219155:225772,COc1c(Cl)cc(-c2cncc(C(=O)N3CC4CCCC4(COc4ncc(C)cn4)C3)c2)cc1OC(C)C,KSXCVRAIBSHKHO-UHFFFAOYSA-N
-rxn:4:219175:225538,CC(C)COc1cccc(-c2ccc(-c3cc(C(F)(F)F)n4nc(C(=O)N(C)C5CCCCC5)cc4n3)cc2)c1C#N,ZZFVMFDHRCUCGV-UHFFFAOYSA-N
-rxn:4:219365:222584,O=C(c1cncc(-c2ccc(OCCCN3CCNCC3)c(F)c2)c1)N1CCCC(Oc2ncc(F)cn2)C1,BKHBGUIRYVHNTN-UHFFFAOYSA-N
-rxn:4:219371:223938,CC(C)(C)OC(=O)N1CCC(n2cnnc2-c2cc3cc(Cl)ccc3n2C(=O)OC(C)(C)C)CC1,CXMRBLOMPHAFPZ-UHFFFAOYSA-N
-rxn:4:219374:225319,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cc(F)c(F)c(N4CCOCC4)c3)nn2)CC1,IHDASBFCZYERDF-UHFFFAOYSA-N
-rxn:4:219402:225172,CC(C)(C)OC(=O)N1CCN(c2cnc(-c3cc(CN4CCOCC4)ccc3F)cn2)CC1,WVONPMGJUOSHAB-UHFFFAOYSA-N
-rxn:4:219402:225877,CC(C)(C)OC(=O)N1CCN(c2cnc(-c3ccc(Cl)cc3N3CCOCC3)cn2)CC1,FCRRYEXVLKQOON-UHFFFAOYSA-N
-rxn:4:219404:223529,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cncc(N4CCN(C(=O)OC(C)(C)C)CC4)n3)cc2F)CC1,WGTXPRMZJMIWCA-UHFFFAOYSA-N
-rxn:4:219404:223651,Cc1nc(C2CCN(C(=O)OC(C)(C)C)C2)ccc1-c1cncc(N2CCN(C(=O)OC(C)(C)C)CC2)n1,DFUPIDUXPZYIKG-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:4:219414:222546,N#Cc1cc(-c2ccc(OCCNC3CCCCC3)c(F)c2)cnc1N1CCOC(C(=O)N2CCCC2)C1,ZNFVBDSNWPENBW-UHFFFAOYSA-N
-rxn:4:219439:222740,CC(C)c1cc(-c2cccc(CN3CCN(c4nccc(C(F)(F)F)n4)CC3)c2)cc(C2CCCNC2)n1,GLVZWDGEMOFBEA-UHFFFAOYSA-N
-rxn:4:219439:223993,Cc1cc(-c2cccc(CN3CCN(c4nccc(C(F)(F)F)n4)CC3)c2)ccc1S(=O)(=O)N1CCN(C)CC1,PWYUZVKTQQAYDP-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:4:219452:223045,Cc1nc(-c2cc(C(=O)NC(C)C)ccc2F)n(C2CCN(C(=O)OC(C)(C)C)CC2)n1,OBFYEENRBPRNTL-UHFFFAOYSA-N
-rxn:4:219471:222584,CSc1ncc(-c2ccc(OCCCN3CCNCC3)c(F)c2)c(N2CCOC(C(=O)N3CCCC3)C2)n1,IEMBSBAJEMKTSZ-UHFFFAOYSA-N
-rxn:4:219473:224395,COc1nc(N2CCOC(C(=O)N3CCCC3)C2)ncc1-c1cc(N2CCOCC2)cc(C(F)(F)F)c1,NSNYZDUAXTUGMK-UHFFFAOYSA-N
-rxn:4:219473:227480,CCCOc1nccc(-c2cnc(N3CCOC(C(=O)N4CCCC4)C3)nc2OC)c1Cl,WEQUGQUAHVMGSG-UHFFFAOYSA-N
-rxn:4:219487:224772,CC(C)(C)OC(=O)N1CCCN(c2cnc(-c3ccc(C(=O)N4CCOCC4)cc3Cl)cn2)CC1,DHYOICHPEBTKAG-UHFFFAOYSA-N
-rxn:4:219501:222631,CSc1ncc(-c2cc(C3CCNCC3)nc(C(C)(C)C)c2)c(N2CCOC(C(=O)N3CCOCC3)C2)n1,XUHKAEWJSRAPGA-UHFFFAOYSA-N
-rxn:4:219501:222719,CSc1ncc(-c2cc(C3CCCNC3)nc(C(F)(F)F)c2)c(N2CCOC(C(=O)N3CCOCC3)C2)n1,RARCCYQCGNVKKS-UHFFFAOYSA-N
-rxn:4:219501:222846,CSc1ncc(-c2cc(C3CCCNC3)ccc2C#N)c(N2CCOC(C(=O)N3CCOCC3)C2)n1,YTGFLZFPQROUGM-UHFFFAOYSA-N
-rxn:4:219501:227480,CCCOc1nccc(-c2cnc(SC)nc2N2CCOC(C(=O)N3CCOCC3)C2)c1Cl,DMQOEUUJIZOQHC-UHFFFAOYSA-N
-rxn:4:219501:227915,CCOc1ccc(-c2cnc(SC)nc2N2CCOC(C(=O)N3CCOCC3)C2)cc1C,YUBOFJSYOAQTPY-UHFFFAOYSA-N
-rxn:4:219522:222700,Cc1cc(OC2CCN(C(=O)c3cncc(-c4ccc(C(F)(F)F)cc4C4CCCNC4)c3)CC2)nc(C)n1,ARBKJEWSHHZWNW-UHFFFAOYSA-N
-rxn:4:219522:222707,Cc1cc(OC2CCN(C(=O)c3cncc(-c4ccnc(CNC(=O)OC(C)(C)C)c4F)c3)CC2)nc(C)n1,XUNCVOKQLVSSJL-UHFFFAOYSA-N
-rxn:4:219522:223872,CCN(C(=O)c1cccc(-c2cncc(C(=O)N3CCC(Oc4cc(C)nc(C)n4)CC3)c2)c1)C1CCCCC1,XNMZOXIMLNFZKH-UHFFFAOYSA-N
-rxn:4:219524:224711,CCCCOc1ccc(C(F)(F)F)cc1-c1cncc(C(=O)N2CCCC(Oc3nc(C)cc(C)n3)C2)c1,RVHQGXJVEZLCOB-UHFFFAOYSA-N
-rxn:4:219532:224395,COc1nc(N2CCCC(C(=O)N3CCSCC3)C2)ncc1-c1cc(N2CCOCC2)cc(C(F)(F)F)c1,FSLYFHCAUXUVSF-UHFFFAOYSA-N
-rxn:4:219639:224834,CN(C)S(=O)(=O)n1cc(-c2ccc3nc(C4CCN(C(=O)OC(C)(C)C)C4)nn3c2)c(C(F)(F)F)n1,VRABPOXDCGRPFM-UHFFFAOYSA-N
-rxn:4:219653:222889,CC(C)(C)OC(=O)N1CCN(c2nc3ccc(-c4cc(F)cc(CN5CCNCC5)c4)nc3s2)CC1,MUKYURWMSCXBCX-UHFFFAOYSA-N
-rxn:4:219653:223945,CC(C)(C)OC(=O)N1CCN(c2nc3ccc(-c4ccc(OCCCN5CCOCC5)c(F)c4)nc3s2)CC1,VBPGUKMATTYMHC-UHFFFAOYSA-N
-rxn:4:219654:223812,CC(C)(C)OC(=O)N1CCN(c2ncnc3sc(-c4cc(F)cc(CN5CCC6(CC5)OCCO6)c4)cc23)CC1,VRLBKCGQKQPYRX-UHFFFAOYSA-N
-rxn:4:219654:225898,CC(C)(C)OC(=O)N1CCN(c2ncnc3sc(-c4cnn(CCN5CCOCC5)c4)cc23)CC1,CKVIKPNWJRTGNG-UHFFFAOYSA-N
-rxn:4:219688:225975,CC(C)(C)OC(=O)N1CCC(c2nc3ccc(-c4ccnc(N5CCOCC5)c4Cl)cn3n2)CC1,LWMCPULJHUNIEO-UHFFFAOYSA-N
-rxn:4:219689:225982,CC(C)(C)OC(=O)N1CCN(c2ccc3ncc(-c4cnc(N5CCOCC5)cc4F)n3c2)CC1,PNAPTOPDLNTTIG-UHFFFAOYSA-N
-rxn:4:219704:225319,CC(C)(C)OC(=O)N1CCN(c2cnc3ccc(-c4cc(F)c(F)c(N5CCOCC5)c4)cc3n2)CC1,APRXNQPEYUHGSC-UHFFFAOYSA-N
-rxn:4:219704:225979,CC(C)(C)OC(=O)N1CCN(c2cnc3ccc(-c4cnc(N5CCOCC5)c(Cl)c4)cc3n2)CC1,OGTDOKRTJMRLHT-UHFFFAOYSA-N
-rxn:4:219706:223933,CC(C)(C)OC(=O)N1CCN(c2ncnc3cc(-c4cc5cc(F)ccc5n4C(=O)OC(C)(C)C)c(Cl)cc23)CC1,GDXFRUPKBFRPSH-UHFFFAOYSA-N
-rxn:4:219717:224689,Cc1ccnc(N2CC3CN(C(=O)Cc4ccc(-c5ccc(C(=O)N6CCCCC6)cc5Cl)cc4)CC3C2)n1,AZEVJCGTNPPVOG-UHFFFAOYSA-N
-rxn:4:219750:224672,CCN1CCN(c2ccc(-c3ccc(OC)cc3C(=O)N3CCCc4cnc(N5CCOCC5)nc43)c(Cl)c2)CC1,DDCBOFHOYAGESO-UHFFFAOYSA-N
-rxn:4:219767:223602,CN1CCN(n2c3c(c(SCc4ccc(-c5ccnc(N6CCN(C(=O)OC(C)(C)C)CC6)c5Cl)cc4)nc2=O)CCC3)CC1,RTEBFFLELGJJNU-UHFFFAOYSA-N
-rxn:4:219880:224009,COc1ccc(-c2cnc(SC)nc2N2CCN(S(C)(=O)=O)CC2)cc1S(=O)(=O)N1CCOCC1,AUBBPIAIZVCFGE-UHFFFAOYSA-N
-rxn:4:219955:223945,O=C(C1CN(c2ncc(-c3ccc(OCCCN4CCOCC4)c(F)c3)cn2)CCO1)N1CCSCC1,HFHIGNMWRLADCI-UHFFFAOYSA-N
-rxn:4:219959:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cnc(N4CCOC(C(=O)N5CCOCC5)C4)nc3)c2Cl)CC1,OIFWHEUWBLKITH-UHFFFAOYSA-N
-rxn:4:219959:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnc(N4CCOC(C(=O)N5CCOCC5)C4)nc3)c(F)c2)CC1,ZYLZYPKWQAZKOE-BWZATIJHSA-N
-rxn:4:219959:225275,COCCOc1c(F)c(C)cc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)nc2)c1F,DJKQNLYGGCWPKL-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:4:219997:224280,CC(C)(C)OC(=O)N1CCc2sc(-c3ccc(N4CCN(c5nccn(C6CC6)c5=O)CC4)cc3)cc2C1,LDAXNPPBUJXUCL-UHFFFAOYSA-N
-rxn:4:220136:223999,CC1CCN(S(=O)(=O)c2ccc(F)c(-c3ccc4ncnc(N5CCN(S(=O)(=O)C6CC6)CC5)c4c3)c2)CC1,XMLPCVJQMZCGBG-UHFFFAOYSA-N
-rxn:4:220209:225312,CN1CCCN(c2ncc(-c3ccccc3S(=O)(=O)N3CCCc4cnc(N5CCOCC5)nc43)cn2)CC1,BUCCEKCLVIQBGJ-UHFFFAOYSA-N
-rxn:4:220221:223812,CN1CCN(C(=O)c2cc3n(n2)CC(c2ccc(-c4cc(F)cc(CN5CCC6(CC5)OCCO6)c4)cc2)OC3)CC1,PBPPCNHXYLATRG-UHFFFAOYSA-N
-rxn:4:220226:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc4nc(N5CCCC(C(=O)N6CCOCC6)C5)ncc4c3)c2)CC1,QSNSGWIZACGUSD-UHFFFAOYSA-N
-rxn:4:220397:223786,CCN1CCN(c2ncc(-c3ccc(OCCCN4CCN(C)CC4)c(Cl)c3)cn2)CC1,UKEOFVLTVASCLU-UHFFFAOYSA-N
-rxn:4:220429:222628,c1nc(N2CCCN(C3CCOC3)CC2)ncc1-c1cc(C2CCC2)nc(C2CCCNC2)c1,SDBSDSIPSQYUQS-UHFFFAOYSA-N
-rxn:4:220429:225210,Cc1nc(N2CCC(C)CC2)ncc1-c1cnc(N2CCCN(C3CCOC3)CC2)nc1,UETSTCDYGPYPIV-UHFFFAOYSA-N
-rxn:4:220429:225226,CC1CCN(c2cc(-c3cnc(N4CCCN(C5CCOC5)CC4)nc3)c(F)cn2)CC1,KWRRYHSKSXTDSO-UHFFFAOYSA-N
-rxn:4:220533:224496,CCN1CCN(Cc2cccc(-c3cnc(N4CC(N5CC6CCCC6C5)C4)nc3)c2)CC1,HCFIKCARAFQPOS-UHFFFAOYSA-N
-rxn:4:220535:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3ccc(-n4ccc5nc(N6CCOCC6)ncc5c4=O)cc3)c2Cl)CC1,KLZPIYMNLLCTFY-UHFFFAOYSA-N
-rxn:4:220935:223594,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)cc(-c3cnc4ccc(N5CCOCC5)nn34)c2)CC1,JHCKUSLIUNNQEP-UHFFFAOYSA-N
-rxn:4:220936:223594,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)cc(-c3cn4ccnc4c(N4CCOCC4)n3)c2)CC1,XMJKSZIDNIQAIR-UHFFFAOYSA-N
-rxn:4:220936:223595,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cn4ccnc4c(N4CCOCC4)n3)cc2F)CC1,HDVFBOVJLIMMHK-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:4:221106:225326,CCOC(=O)c1ccc(-c2cncc(C(=O)N3CCC(CN(C)c4nccnc4OC)CC3)c2)c([N+](=O)[O-])c1,ZDTUDUFMABSAOA-UHFFFAOYSA-N
-rxn:4:221108:224718,Cc1ncn(CC(=O)N2CCC(COc3ncc(-c4ccc(OCCN5CCOCC5)nc4)cn3)CC2)c(=O)c1C,PKFYJNLDMIVKKE-UHFFFAOYSA-N
-rxn:4:221114:223138,CCOc1ccc(-c2ccnc(C3CCNCC3)c2)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N3CCCC3)n2)CC1,FTWFHQKRGSEHFU-UHFFFAOYSA-N
-rxn:4:221126:223058,CCOC(=O)C1CCCN(c2nc3c(S(=O)(=O)c4ccc(-c5cc(F)nc(C6CCCNC6)c5)cc4)nnn3c3ccsc23)C1,KVHIBSMUYTTZRF-UHFFFAOYSA-N
-rxn:4:221127:224193,CCOC(=O)C1CCN(c2nc3c(S(=O)(=O)c4ccc(-c5ccc(F)c(CN6CCN(CC)CC6)c5)cc4)nnn3c3ccsc23)CC1,BMKOJSKDOHJBLG-UHFFFAOYSA-N
-rxn:4:221152:223595,Cc1nnsc1C(=O)N1CCCC(COc2ncc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)c(F)c3)cn2)C1,SGWCPRUMVIPZEM-UHFFFAOYSA-N
-rxn:4:221152:223743,Cc1ccc(-c2cnc(OCC3CCCN(C(=O)c4snnc4C)C3)nc2)cc1OCCCN1CCC(C)CC1,BOPFJCSDUXJLIN-UHFFFAOYSA-N
-rxn:4:221152:224592,Cc1nnsc1C(=O)N1CCCC(COc2ncc(-c3cc(C4(C#N)CCCCC4)ccc3F)cn2)C1,ZLVDLXQOODJCTQ-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:4:221171:223650,CCc1ncnc(N2CCCC(COc3ncc(-c4ccccc4N4CCN(C(=O)OC(C)(C)C)CC4)cn3)C2)c1F,FSGNPFXOMFVHOG-UHFFFAOYSA-N
-rxn:4:221171:223671,CCc1ncnc(N2CCCC(COc3ncc(-c4ccnc(N5CCN(C(=O)OC(C)(C)C)CC5)c4)cn3)C2)c1F,BQIXPYQVRUVAAQ-UHFFFAOYSA-N
-rxn:4:221173:222546,Cn1nc(C(=O)N2CCCC(COc3ncc(-c4ccc(OCCNC5CCCCC5)c(F)c4)cn3)C2)ccc1=O,MJEJBIZMEAGANW-UHFFFAOYSA-N
-rxn:4:221173:224718,Cn1nc(C(=O)N2CCCC(COc3ncc(-c4ccc(OCCN5CCOCC5)nc4)cn3)C2)ccc1=O,SKWFNMRLRDAYPE-UHFFFAOYSA-N
-rxn:4:221180:225172,Cc1cc(C(=O)N2CCC(COc3ncc(-c4cc(CN5CCOCC5)ccc4F)cn3)CC2)nn1C,JQCDYVHCCPKZCD-UHFFFAOYSA-N
-rxn:4:221186:222632,CN(CC1CCN(c2ncc(-c3cccc(C(=O)NCCN4CCCC4)c3)cn2)CC1)c1cc(C(F)(F)F)ccn1,FDGYFKPHUOSPRG-UHFFFAOYSA-N
-rxn:4:221198:225898,CC(C)(C)c1ccc(OCC2CCN(c3ncc(-c4cnn(CCN5CCOCC5)c4)cn3)CC2)nn1,MEAQWYJBYJQSBZ-UHFFFAOYSA-N
-rxn:4:221205:222742,c1cc(N2CCN(CCc3ccc(-c4cc(C5CCNCC5)nc(C5CC5)c4)cc3)CC2)nc(N2CCOCC2)n1,LGJWXUMZRGBHKQ-UHFFFAOYSA-N
-rxn:4:221205:224738,FC(F)(F)c1cc(OCC2CC2)cc(-c2ccc(CCN3CCN(c4ccnc(N5CCOCC5)n4)CC3)cc2)c1,ASPZBNDQRJNJFQ-UHFFFAOYSA-N
-rxn:4:221208:225979,Cc1cc(N2CCN(CCc3ccc(-c4cnc(N5CCOCC5)c(Cl)c4)cc3)CC2)nc(N2CCOCC2)n1,IFPUYZNBUUNFHB-UHFFFAOYSA-N
-rxn:4:221232:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cnc(OCC4CCCN(c5nc6c(cc5C#N)COCC6)C4)nc3)c2Cl)CC1,BWTBJOIJDSCBGN-UHFFFAOYSA-N
-rxn:4:221232:225875,N#Cc1cc2c(nc1N1CCCC(COc3ncc(-c4ccc(N5CCOCC5)cc4Cl)cn3)C1)CCOC2,YGSVOPSQCCHBJM-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:4:221249:225287,CC(C)(C)OC(=O)c1cnc(Cl)cc1-c1cnn2cc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)cc3)cnc12,GGYUZVIKFGMORO-UHFFFAOYSA-N
-rxn:4:221352:222546,Fc1cc(-c2cnc(OC3CCN(c4nc(C5CC5)ns4)CC3)nc2)ccc1OCCNC1CCCCC1,WETUZWJOXUEKEJ-UHFFFAOYSA-N
-rxn:4:221373:224196,CCN1CCN(Cc2cc(F)cc(-c3cnc(OC4CCCN(C(=O)c5c(C)n[nH]c5C)C4)nc3)c2)CC1,VNDLOYYLSNMEBX-UHFFFAOYSA-N
-rxn:4:221387:222634,Cc1ncnc(OCC2CCN(c3ncc(-c4ccc(OCCNC5CCCC5)c(F)c4)cn3)CC2)c1C,JNAHHWVQXKPETL-UHFFFAOYSA-N
-rxn:4:221394:223941,CC(C)(C)OC(=O)N1C(=O)Cc2cc(-c3cnc(N4CCC(Cn5nc(C6CC6)ccc5=O)CC4)nc3)ccc21,PLYYSWVYSGPANY-UHFFFAOYSA-N
-rxn:4:221398:222546,CN1CCN(C(=O)N2CCC(Oc3ncc(-c4ccc(OCCNC5CCCCC5)c(F)c4)cn3)CC2)CC1,ZLCALZPGFLSSEX-UHFFFAOYSA-N
-rxn:4:221398:222634,CN1CCN(C(=O)N2CCC(Oc3ncc(-c4ccc(OCCNC5CCCC5)c(F)c4)cn3)CC2)CC1,NEFHEPDWLXGVCQ-UHFFFAOYSA-N
-rxn:4:221412:224834,Cc1nc(C)c(C)c(OCC2CCN(c3ncc(-c4cn(S(=O)(=O)N(C)C)nc4C(F)(F)F)cn3)CC2)n1,XQGIMKLCNNANAH-UHFFFAOYSA-N
-rxn:4:221419:223651,Cc1nc(C2CCN(C(=O)OC(C)(C)C)C2)ccc1-c1cnc(N2CCC(Cn3nc(C(C)(C)C)ccc3=O)CC2)nc1,JSMQKDHVRTYZBZ-UHFFFAOYSA-N
-rxn:4:221422:223994,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1ccc(Cl)c(C(=O)N2CCN(c3ccc(N4CCOCC4)nn3)CC2)c1,KCZBQBWXKIZDIT-UHFFFAOYSA-N
-rxn:4:221431:225876,Cc1cc(N2CCCC2)nc(N2CCN(C(=O)c3ccccc3-c3cc(Cl)ccc3N3CCOCC3)CC2)n1,APYORQBFXONLOI-UHFFFAOYSA-N
-rxn:4:221432:222846,Cc1cc(N2CCCC2)nc(N2CCN(C(=O)c3cccc(-c4cc(C5CCCNC5)ccc4C#N)c3)CC2)n1,IUJMGNXFMJTOOR-UHFFFAOYSA-N
-rxn:4:221432:222987,Cc1cc(N2CCCC2)nc(N2CCN(C(=O)c3cccc(-c4ccc(C5CCNCC5)nc4C)c3)CC2)n1,LKTNACBQCMFQCZ-UHFFFAOYSA-N
-rxn:4:221432:225636,Cc1cc(N2CCCC2)nc(N2CCN(C(=O)c3cccc(-c4ccnc(N5CCC(C)CC5)c4)c3)CC2)n1,YDLLLLQOTRBQGV-UHFFFAOYSA-N
-rxn:4:221447:222905,Cc1cc(N2CCN(Cc3ccc(-c4cccnc4NC(=O)OC(C)(C)C)cc3)CC2)nc(N2CCOCC2)n1,DJSDWRRWDCGBSW-UHFFFAOYSA-N
-rxn:4:221447:223602,Cc1cc(N2CCN(Cc3ccc(-c4ccnc(N5CCN(C(=O)OC(C)(C)C)CC5)c4Cl)cc3)CC2)nc(N2CCOCC2)n1,GCPGMQJEHMEAPT-UHFFFAOYSA-N
-rxn:4:221447:223832,COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1-c1ccc(CN2CCN(c3cc(C)nc(N4CCOCC4)n3)CC2)cc1,MPLAVGNZAFUMKW-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:4:221449:222866,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccc(NC(=O)OC(C)(C)C)c4)cc3)CC2)n1,UJKSQAZOCRAJDP-UHFFFAOYSA-N
-rxn:4:221456:224810,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cnc(N5CCCC5)c(C(F)(F)F)c4)cc3)CC2)n1,YNFYEGLXINTQET-UHFFFAOYSA-N
-rxn:4:221553:222546,CCCCn1c(=O)c2c(nc3n2CCCN3c2ccc(-c3ccc(OCCNC4CCCCC4)c(F)c3)cc2)n(C)c1=O,YUOMPRUBNQYZLS-UHFFFAOYSA-N
-rxn:4:221604:223592,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc(-n4cnnn4)cc3C(=O)N3CCSCC3)c(Cl)c2)CC1,ZYLRATJGIIVRGN-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:4:221609:223529,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cnc(OC4CCN(c5ncc(Cl)cn5)CC4)nc3)cc2F)CC1,CDYFRUIQUKISQU-UHFFFAOYSA-N
-rxn:4:221641:223529,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cnc(N4CCC(n5nc(C6CC6)ccc5=O)CC4)nc3)cc2F)CC1,LUWIUVCXUUSPOJ-UHFFFAOYSA-N
-rxn:4:221641:223997,Cc1cc(-c2cnc(N3CCC(n4nc(C5CC5)ccc4=O)CC3)nc2)cc(C)c1S(=O)(=O)N1CCOCC1,HOVXPHQJHHEXDP-UHFFFAOYSA-N
-rxn:4:221702:224393,Cn1c(=O)c2c(nc(-c3cc(C(F)(F)F)ccc3N3CCOCC3)n2CCN2CCOCC2)n(C)c1=O,VWVZWDFEWHXMFK-UHFFFAOYSA-N
-rxn:4:221740:223812,CC(=O)Cn1c(=O)c2c(nc3n2CCCN3c2ccc(-c3cc(F)cc(CN4CCC5(CC4)OCCO5)c3)cc2)n(C)c1=O,GLZKGGVGVBYDDE-UHFFFAOYSA-N
-rxn:4:221918:224082,CCC(C(=O)OC(C)(C)C)c1cccc(-c2ccc(CC(=O)N3CCC(n4cc(-c5nc(C(C)C)no5)nn4)C3)cc2)c1,PFMRYJBGCBKVSZ-UHFFFAOYSA-N
-rxn:4:221933:223952,CN1CCN(CCOc2ccc(-c3cncc(C(=O)N(C)C4CN(c5nccnc5C#N)C4)c3)cc2Cl)CC1,VVUGVAXQOARDQD-UHFFFAOYSA-N
-rxn:4:221961:222634,Cn1cc(-c2cnc(OC3CCN(C(=O)c4cncc(-c5ccc(OCCNC6CCCC6)c(F)c5)c4)CC3)nc2)cn1,DKYSPRUKPRBFQT-UHFFFAOYSA-N
-rxn:4:221977:223532,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)cc(-c3cnc(OCC4CCCN(c5nccn6nc(C7CC7)cc56)C4)nc3)c2)CC1,MHZZGJBUWQEBAB-UHFFFAOYSA-N
-rxn:4:221985:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3cc4c(cn3)nc(-c3cnn(C)c3)n4[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)cc21,LPRQAPKJQSOZNV-AREMUKBSSA-N
-rxn:4:222015:223812,Cc1nccn1-c1cc(N2CCN(C(=O)c3ccc(-c4cc(F)cc(CN5CCC6(CC5)OCCO6)c4)o3)CC2)ncn1,SMDFGCQQWYBORJ-UHFFFAOYSA-N
-rxn:4:222037:223844,O=S(=O)(c1ccc(-c2ccc(S(=O)(=O)N3CCN(c4ccc(-n5ccnc5)nn4)CC3)cc2)c(C(F)(F)F)c1)N1CCCC1,UQZMQBPSELPESX-UHFFFAOYSA-N
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-rxn:4:222167:224198,CCN1CCN(Cc2ccc(-c3cnc(N4CCN(c5nc(C6CC6)nc(C)c5C)CC4)nc3)c(F)c2)CC1,UFJUZISIZKQOGY-UHFFFAOYSA-N
-rxn:4:222169:222741,Cc1nc(N2CCN(c3ncc(-c4cc(C5CC5)nc(C5CCCNC5)c4)cn3)CC2)cc(C(C)(C)C)n1,FHFPOENWSMXNIR-UHFFFAOYSA-N
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-rxn:4:222335:224321,Cc1cc(N2CCN(c3ncc(-c4cccc(S(=O)(=O)N5CCC(C)CC5)c4)cn3)CC2)nc(N2CCCC2)n1,WNZKMLQBIZNHLS-UHFFFAOYSA-N
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-rxn:4:222364:223755,CC1CCN(CCCOc2ccc(-c3cnc(N4CCC(Cn5nc(-n6cncn6)ccc5=O)CC4)nc3)cc2F)CC1,CGLKMTIIOURRCC-UHFFFAOYSA-N
-rxn:4:222523:177741,CC(C)(C)NS(=O)(=O)c1ccc(-c2cccc(C(=O)OC(C)(C)C)c2F)c(C(F)(F)F)c1,XVZXCVPYQFRECL-UHFFFAOYSA-N
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-rxn:4:222602:178589,CC(C)Cc1cc(-c2ccc(OS(=O)(=O)C(F)(F)F)c3c2oc2ccccc23)c(S(=O)(=O)NC(C)(C)C)s1,FLNWUEVYMCPVLP-UHFFFAOYSA-N
-rxn:4:222613:177977,CCCNS(=O)(=O)c1ccc(-c2ccc(C3(C)OC3(C)C(=O)OC)cc2)c(C(F)(F)F)c1,ZMCUQOCOZPRQFO-UHFFFAOYSA-N
-rxn:4:222723:219388,O=C(c1ccc(-c2cccc(NS(=O)(=O)N3CCOCC3)c2)o1)N1CCCN(S(=O)(=O)c2c[nH]cn2)CC1,KWTVOQCSNFPQRA-UHFFFAOYSA-N
-rxn:4:222752:185057,Cc1cc(NC(=O)OC(C)(C)C)ccc1-c1cc(C(F)(F)F)ccc1C(=O)N(C(C)C)C(C)C,CZNPUANRPAYMJG-UHFFFAOYSA-N
-rxn:4:222792:185089,COc1cc(C(=O)N(C(C)C)C(C)C)ccc1-c1cc(NC(=O)OC(C)(C)C)ccc1F,PJLJWKFEJVUQAS-UHFFFAOYSA-N
-rxn:4:222801:174514,Cc1ccc(-c2cccc(O[Si](C(C)C)(C(C)C)C(C)C)c2)cc1S(=O)(=O)NC(C)(C)C,LFTRPRQRUHNUKE-UHFFFAOYSA-N
-rxn:4:222821:215131,Cc1nn(C(=O)C(C)N2C(=O)c3ccccc3C2=O)c(C)c1-c1ccc(F)c(S(=O)(=O)NC(C)(C)C)c1,GOKXRPBLEQIEAV-UHFFFAOYSA-N
-rxn:4:223521:194834,Cc1ccc2c(c1)-c1c(ssc1=S)C(C)(C)N2C(=O)c1ccccc1-c1cccc(C(C)N2CCN(C(=O)OC(C)(C)C)CC2)c1,BHQXYZUNFGOOHZ-UHFFFAOYSA-N
-rxn:4:223570:175702,COC(=O)C(C)(C)c1ccc(OC)cc1-c1c(F)ncc2c1ccn2[Si](C(C)C)(C(C)C)C(C)C,UDFNAXVMSOQDHF-UHFFFAOYSA-N
-rxn:4:223570:194601,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc4oc(=O)c(S(=O)(=O)N5CCCC5)cc4c3)c(F)ncc21,SAIIYCJUVNMNGU-UHFFFAOYSA-N
-rxn:4:223580:185889,COC(=O)c1ccc2c(c1)cc(-c1ccc(C#N)c(C(=O)OC)c1C(F)F)n2C(=O)OC(C)(C)C,SCLUBULOQLKNEY-UHFFFAOYSA-N
-rxn:4:223581:187042,COC(=O)c1cccc2cc(-c3cccc(C(=O)N(C(C)C)C(C)C)c3)n(C(=O)OC(C)(C)C)c12,FALHHCGYTOVOTI-UHFFFAOYSA-N
-rxn:4:223582:176122,COC(=O)c1ccc2cc(-c3cc(C(=O)OC(C)(C)C)cc(-c4ccc(F)cc4F)c3)n(C(=O)OC(C)(C)C)c2c1,IVVIFXNVCNMZLB-UHFFFAOYSA-N
-rxn:4:223582:176722,COC(=O)c1ccc2cc(-c3cc(C(F)(F)F)cc(F)c3C(=O)OC)n(C(=O)OC(C)(C)C)c2c1,BIFRPYDFIYKJRB-UHFFFAOYSA-N
-rxn:4:223641:186294,CCc1cc2c(cc1F)cc(-c1ccc(C(=O)N(C)OC)cc1C(F)(F)F)n2C(=O)OC(C)(C)C,CONDPLULIJDQDR-UHFFFAOYSA-N
-rxn:4:223641:187961,CCc1cc2c(cc1F)cc(-c1ccc(-n3c(CC(=O)OC)cc4c3CC(C)(C)CC4=O)cc1)n2C(=O)OC(C)(C)C,UJEYOSOCRDJZGN-UHFFFAOYSA-N
-rxn:5:176852:223010:225881,COC(=O)c1cc(-c2ccc(C3(O)CCOCC3)cc2)c(OC)c(-c2ccc(C3CCOCC3)nc2F)c1,BMHUQPMJEFBZEH-UHFFFAOYSA-N
-rxn:5:177189:223018:223006,CCOC(=O)c1c(-c2ccc3c(c2)NC(=O)C(C)(C)O3)ccc(C)c1-c1ccc(F)c(C2CCNCC2)c1,NQIVJFHZGRELPG-UHFFFAOYSA-N
-rxn:5:177190:226661:222984,CCS(=O)(=O)Cc1ccc(-c2ccc(CN3CCC(O)C3)cc2)c(-c2cc(N3CCN(C)CC3)cs2)c1,IKHHMSFGUJRYOL-UHFFFAOYSA-N
-rxn:5:177731:225976:226663,CC(C)(C)OC(=O)c1ccc(-c2ccc(N3CCSCC3)nc2)cc1-c1ccnc(N2CCOCC2)c1F,XEZQLOSCICAAEA-UHFFFAOYSA-N
-rxn:5:177731:226663:225978,CC(C)(C)OC(=O)c1ccc(-c2ccc(N3CCOCC3)nc2F)cc1-c1ccc(N2CCSCC2)nc1,SSYRIBOCOMCGRF-UHFFFAOYSA-N
-rxn:5:177733:225784:223064,CC(C)(C)OC(=O)c1cc(-c2ccc(CN3CCOCC3)nc2)cc(-c2ccc(C3CCNCC3)nc2F)c1,ATFZYNPNVXCFFM-UHFFFAOYSA-N
-rxn:5:177733:226576:222980,CN(C)C(=O)c1cc(-c2cc(C(=O)OC(C)(C)C)cc(-c3ccc(CN4CCNCC4)cc3)c2)ccc1F,LFXVRZPMOPZWPL-UHFFFAOYSA-N
-rxn:5:177736:226663:225655,CC1CCN(c2cncc(-c3ccc(C(=O)OC(C)(C)C)cc3-c3ccc(N4CCSCC4)nc3)c2)CC1,XQBNXIUPMIIQFM-UHFFFAOYSA-N
-rxn:5:177737:225976:226794,CC(C)(C)OC(=O)c1cc(-c2cnc(N3CCSCC3)nc2)ccc1-c1ccnc(N2CCOCC2)c1F,VZBJMLYGAGGECS-UHFFFAOYSA-N
-rxn:5:177737:226794:225834,CC(C)(C)OC(=O)c1cc(-c2cc(N3CCCCC3)ncc2F)ccc1-c1cnc(N2CCSCC2)nc1,PRUKGUVVMVGECG-UHFFFAOYSA-N
-rxn:5:177739:223056:226679,CC(C)(C)OC(=O)c1cccc(-c2ccc(N3CCC(O)CC3)nc2)c1-c1cnc(N2CCCC2)cc1F,DYNZKINHRITLJW-UHFFFAOYSA-N
-rxn:5:177891:223340:226059,CC(C)c1ccc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2ccc3c(c2)NCCO3)c(C(C)C)c1,WYEKUMNJZDHMLN-UHFFFAOYSA-N
-rxn:5:178118:227093:222983,OC1CCN(Cc2cccc(-c3ccc(-c4cccnc4C4CCCC4)c(OCC4CCCCO4)c3)c2)C1,BDIOAPNLZUSPKF-UHFFFAOYSA-N
-rxn:5:178118:227803:223294,CN(C)S(=O)(=O)n1nccc1-c1ccc(-c2csc(N3CCNCC3)n2)cc1OCC1CCCCO1,VLYWVNXSHAPUSB-UHFFFAOYSA-N
-rxn:5:178120:226771:223190,CNS(=O)(=O)c1ccc(F)cc1-c1c(OCC2CCOCC2)cccc1-c1cc(F)c(F)cc1C(=O)OC,DBWXSOUEUJHNAA-UHFFFAOYSA-N
-rxn:5:178121:225929:226211,CC(=O)N1CCc2cc(-c3cccc(OCC4CCOCC4)c3-c3ccc(S(=O)(=O)N(C)C)c(C)c3)ccc21,GCKJDBIZVYILCN-UHFFFAOYSA-N
-rxn:5:178226:225621:223201,Cc1cc(-c2c(OCC3CCCCC3)cccc2-c2ccccc2C2CCNC2)ccc1OC1CCOC1,IUCIQOQLUCDYFI-UHFFFAOYSA-N
-rxn:5:178226:225976:227779,O=[N+]([O-])c1cc(F)c(F)c(-c2cccc(OCC3CCCCC3)c2-c2ccnc(N3CCOCC3)c2F)c1,CLFLXOGNZWBELJ-UHFFFAOYSA-N
-rxn:5:178295:225679:225832,COC(=O)C1(c2cc(-c3c(C)nn(C4CCCCO4)c3C)ccc2-c2ccc(N3CCCCC3)cc2F)CCC(=O)CC1,HZUJVEHTMRIOHN-UHFFFAOYSA-N
-rxn:5:178295:225805:225783,COC(=O)C1(c2cc(-c3ccc(OC)cc3-n3cccn3)ccc2-c2ccc(C(C)N3CCOCC3)s2)CCC(=O)CC1,JNCGYTXZITZKII-UHFFFAOYSA-N
-rxn:5:178295:226035:227942,CCc1ccc(-c2ccc(-c3c(OC)ccc(C(F)(F)F)c3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(OC)c1,WCFQBJXZFDTLKK-UHFFFAOYSA-N
-rxn:5:178295:226875:227819,CCc1cc(CC)cc(-c2ccc(-c3cc(F)c(OC(F)F)cc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,NTJWQCABRHKEPT-UHFFFAOYSA-N
-rxn:5:178295:226918:227841,COC(=O)C1(c2cc(-c3c(C)c(C)cc(C)c3C)ccc2-c2ccc(C3=CCCC3)cc2)CCC(=O)CC1,WXFZVLADCBGMCH-UHFFFAOYSA-N
-rxn:5:178295:227052:227724,COC(=O)C1(c2cc(-c3cc(OC(F)F)ccc3F)ccc2-c2ccc(SC(C)(C)C)cc2)CCC(=O)CC1,CFKRNMKUJFNZEK-UHFFFAOYSA-N
-rxn:5:178295:227079:226911,CCc1cc(C)cc(CC)c1-c1ccc(-c2cc(CC(C)C)ccc2F)c(C2(C(=O)OC)CCC(=O)CC2)c1,GULVPJIXQGNJRM-UHFFFAOYSA-N
-rxn:5:178295:227124:227810,CCC(C)c1ccc(-c2ccc(-c3ccc(C(C)(C)C)cc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc1,QSKDEGGTPZOVBC-UHFFFAOYSA-N
-rxn:5:178295:227311:227724,CCC(C)c1cc(F)c(-c2ccc(-c3cc(OC(F)F)ccc3F)cc2C2(C(=O)OC)CCC(=O)CC2)cn1,QLQOMGCUCZUJCY-UHFFFAOYSA-N
-rxn:5:178295:227362:228396,CCOc1cc(C)cc(F)c1-c1ccc(-c2c(F)cc(OC)cc2F)cc1C1(C(=O)OC)CCC(=O)CC1,UQORVUPUQYWVAL-UHFFFAOYSA-N
-rxn:5:178295:228407:227076,CCC(C)c1ccc(F)c(-c2ccc(-c3c(OC)ccc(F)c3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,CSQHKUGOQNOMGJ-UHFFFAOYSA-N
-rxn:5:178295:228407:227346,CCCc1cc(F)c(-c2ccc(-c3c(OC)ccc(F)c3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)c1,ZWXPXGYWUCSBOH-UHFFFAOYSA-N
-rxn:5:178295:228430:227071,COCc1cc(C)c(-c2ccc(-c3c(F)cc(SC)cc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(C)c1,UUXHCQQDKOARHP-UHFFFAOYSA-N
-rxn:5:178295:228567:227591,CCC(C)c1sccc1-c1ccc(-c2ccc(C(F)F)cc2OC)cc1C1(C(=O)OC)CCC(=O)CC1,PDKYSHINLYPZMJ-UHFFFAOYSA-N
-rxn:5:178295:228712:226924,COC(=O)C1(c2cc(-c3cc(C)cc(C4CC4)c3C)ccc2-c2ccnn2C2CCC2)CCC(=O)CC1,DPJVLHAGSKNGGE-UHFFFAOYSA-N
-rxn:5:178295:228713:227077,CCC(C)c1ccc(-c2ccc(-c3ccn(C(C)(C)C)n3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)c1,CCBKQPZJEFDRRY-UHFFFAOYSA-N
-rxn:5:178368:226038:227062,CCOc1ccc(-c2c(C)cc(OS(=O)(=O)c3cc(C)c(-c4cc(F)c(C(F)(F)F)cc4OC)cc3C)cc2C)c(C)c1C,LNLJNSXBMFQLKJ-UHFFFAOYSA-N
-rxn:5:178466:223063:225833,CC(C)OC(=O)c1sc2cc(-c3cc(F)nc(C4CCNCC4)c3)ccc2c1-c1ccnc(N2CCCCC2)c1F,LGKGMQQINFFGLK-UHFFFAOYSA-N
-rxn:5:178466:223063:225976,CC(C)OC(=O)c1sc2cc(-c3cc(F)nc(C4CCNCC4)c3)ccc2c1-c1ccnc(N2CCOCC2)c1F,PMRNQLVLCLRRPH-UHFFFAOYSA-N
-rxn:5:178466:223064:225980,CC(C)OC(=O)c1sc2cc(-c3ccc(C4CCNCC4)nc3F)ccc2c1-c1cc(N2CCOCC2)ncc1F,ITKZIPZQCVDRES-UHFFFAOYSA-N
-rxn:5:178466:225803:225976,CC(C)OC(=O)c1sc2cc(-c3ccnc(OC4CCOCC4)c3)ccc2c1-c1ccnc(N2CCOCC2)c1F,NEWKIESKYJMLMW-UHFFFAOYSA-N
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-rxn:5:178467:223062:226395,CCOC(=O)C1=Cc2cc(-c3cncc(N4CCCCC4)c3)cc(-c3cnc(C4CCNCC4)cc3F)c2OC1,TYQLSEDMNKHGPT-UHFFFAOYSA-N
-rxn:5:178467:223141:226679,CCOC(=O)C1=Cc2cc(-c3cnc(N4CCCC4)cc3F)cc(-c3cncc(C4CCNCC4)c3)c2OC1,FDCGHYSWUUTSJN-UHFFFAOYSA-N
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-rxn:5:178467:225454:223378,CCOC(=O)C1=Cc2cc(-c3cnc4c(c3)NCCO4)cc(-c3ccc(C4=CCN(C)CC4)cc3)c2OC1,AXZOFFKHWQAGDH-UHFFFAOYSA-N
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-rxn:5:178467:225849:225849,CCOC(=O)C1=Cc2cc(-c3cnc(N4CCCCC4)cc3F)cc(-c3cnc(N4CCCCC4)cc3F)c2OC1,WAERDNIYKCPCLV-UHFFFAOYSA-N
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-rxn:5:181904:226686:225640,Cc1cnn(C2CCCCO2)c1-c1ccc(C2OCCO2)c(C)c1-c1ccnc(N2CCCCC2C)c1,JELQWBJAMIYJKK-UHFFFAOYSA-N
-rxn:5:181906:225986:226661,Cc1ccc(-c2ccccc2N2CCCS2(=O)=O)c(C2OCCO2)c1-c1cc(N2CCN(C)CC2)cs1,SGBNCZJYTQAZPN-UHFFFAOYSA-N
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-rxn:5:181908:225661:226652,Cc1cc(-c2cc(C3OCCO3)c(C)cc2-c2ccc(N3CCOCC3)cc2C)n(C2CCCCO2)n1,KHURGPIGFCCLMK-UHFFFAOYSA-N
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-rxn:5:188459:225982:225937,COC(=O)c1cc([N+](=O)[O-])c(-c2cnc(N3CCOCC3)cc2F)cc1-c1cc(C(F)(F)F)ncc1C(C)C,DFPOGQNFSHHJKS-UHFFFAOYSA-N
-rxn:5:188461:225611:226572,COC(=O)c1cc([N+](=O)[O-])cc(-c2ccc(N3CCCC3)cc2OC)c1-c1cnc(OC2CCCC2)nc1,SFAOWZDJQKOQCB-UHFFFAOYSA-N
-rxn:5:188595:223063:225819,CCOc1c(-c2cc(C(F)(F)F)ccc2C2CC2)cc(-c2cc(F)nc(C3CCNCC3)c2)cc1[N+](=O)[O-],MXMRHGZHQJDGEP-UHFFFAOYSA-N
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-rxn:5:188787:226139:225602,N#CC1(c2ccc(F)c(-c3cc(OC4CC4)c([N+](=O)[O-])cc3-c3cc(C4CC4)cnc3C3CC3)c2)CCC1,FADDMIYCFUGWNT-UHFFFAOYSA-N
-rxn:5:188930:225394:226374,COC(=O)c1cc(S(N)(=O)=O)c(-c2cc(C3CCC3)cc(C3CC3)c2)cc1-c1cncnc1C1CCCCC1,JQJINLCEAVEHNW-UHFFFAOYSA-N
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-rxn:5:188930:227381:225394,COC(=O)c1cc(S(N)(=O)=O)c(-c2cnc(C3CCCC3)nc2)cc1-c1cc(C2CCC2)cc(C2CC2)c1,DMSRHRMYIQZCIW-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:5:188931:226324:226139,COC(=O)c1cc(-c2cccnc2OC2CCCC2)cc(S(N)(=O)=O)c1-c1cc(C2CC2)cnc1C1CC1,REWNBDMEPRCSAE-UHFFFAOYSA-N
-rxn:5:188932:225677:227381,COC(=O)c1cc(-c2cnc(C3CCCC3)nc2)c(S(N)(=O)=O)c(-c2ccc(C3CCCCC3)nc2F)c1,HKCXNEVFXHLAHC-UHFFFAOYSA-N
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-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:5:188932:226382:223004,COC(=O)c1cc(-c2cnc(C3CCCCC3)nc2)c(S(N)(=O)=O)c(-c2ccc(C3CCNCC3)c(F)c2)c1,RKLFSQWJCCCQEZ-UHFFFAOYSA-N
-rxn:5:188932:226382:223062,COC(=O)c1cc(-c2cnc(C3CCCCC3)nc2)c(S(N)(=O)=O)c(-c2cnc(C3CCNCC3)cc2F)c1,RVNKACAPXMWFLR-UHFFFAOYSA-N
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-rxn:5:188932:226382:226382,COC(=O)c1cc(-c2cnc(C3CCCCC3)nc2)c(S(N)(=O)=O)c(-c2cnc(C3CCCCC3)nc2)c1,NHAILKNSYFHAGZ-UHFFFAOYSA-N
-rxn:5:188932:226382:226432,COC(=O)c1cc(-c2cnc(C3CCCCC3)nc2)c(S(N)(=O)=O)c(-c2ccc(C3CCCC3)nc2F)c1,ZTAUVGYKELRJBI-UHFFFAOYSA-N
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-rxn:5:188932:227702:225933,COC(=O)c1cnc(F)c(-c2cc(C(=O)OC)cc(-c3cc(C4CC4)nc(C(F)(F)F)c3)c2S(N)(=O)=O)c1,ZJCCXUVUJLUMJK-UHFFFAOYSA-N
-rxn:5:189079:226661:225978,CCN(C)C(=O)c1ccc(-c2ccc(N3CCOCC3)nc2F)c(-c2cc(N3CCN(C)CC3)cs2)c1,NTPGHBWMMNSEKP-UHFFFAOYSA-N
-rxn:5:189208:228530:226050,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc3c(c2)OCC3)cc1-c1c(F)cc(OC(F)(F)F)cc1F,IROWUPHSLIKHLQ-UHFFFAOYSA-N
-rxn:5:189209:228113:226749,CCc1nc(OC)ccc1-c1cc(C(=O)ON2C(=O)CCC2=O)cc(-c2c(OC)cccc2C(F)(F)F)c1,LCSJPXTWOQFSOW-UHFFFAOYSA-N
-rxn:5:189209:228705:223064,CN(C)c1ncccc1-c1cc(C(=O)ON2C(=O)CCC2=O)cc(-c2ccc(C3CCNCC3)nc2F)c1,XSEXBUNMAGCRDD-UHFFFAOYSA-N
-rxn:5:189210:225980:227566,COc1ccc(-c2cccc(-c3cc(N4CCOCC4)ncc3F)c2C(=O)ON2C(=O)CCC2=O)c(OC)c1F,RYKCKBOLKHAXGV-UHFFFAOYSA-N
-rxn:5:189210:228690:223002,CCOc1cncc(-c2cccc(-c3ccc(C4CCNCC4)cc3F)c2C(=O)ON2C(=O)CCC2=O)c1,QWOLXAQZONNHRX-UHFFFAOYSA-N
-rxn:5:189212:228214:225603,N#CC1(c2cccc(-c3ccc(C(=O)ON4C(=O)CCC4=O)cc3-c3cnc(C4CC4)cc3F)c2F)CCC1,CIFOQLQTFQYKAW-UHFFFAOYSA-N
-rxn:5:189212:229082:223004,CN(C)c1csc(-c2cc(C(=O)ON3C(=O)CCC3=O)ccc2-c2ccc(C3CCNCC3)c(F)c2)c1,WMHDIFBCQCPOJW-UHFFFAOYSA-N
-rxn:5:189319:225653:226779,CC1CCCCN1c1ccc(-c2ccc(-c3ccc(C(=O)C(F)(F)F)cc3)nc2C(=O)OC(C)(C)C)cn1,YEKPBYFDTMVZJG-UHFFFAOYSA-N
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-rxn:5:189539:225639:222404,CC1CCN(c2ncccc2-c2cccc(C(=O)N(C)C(C)C)c2-c2ccc(C3NC(=O)NC3=O)cc2)CC1,OCGAUOZFIBHVBB-UHFFFAOYSA-N
-rxn:5:189540:225879:226662,COC1CN(Cc2cc(-c3ccc(N4CCOCC4)cc3F)ccc2-c2ccc(N3CCN(C)CC3)s2)C1,HIBOEFZCWIWQEU-UHFFFAOYSA-N
-rxn:5:189664:227351:225466,COC(=O)c1c(C)cccc1-c1ccc(CC(=O)N2CCCC2)c(-c2ccc(N3CCCCC3C)cc2)c1,VGRALZXEHLDYCD-UHFFFAOYSA-N
-rxn:5:189665:225657:227710,Cc1cc(-c2cnc(OCC3CCOCC3)c(-c3ccc(OS(C)(=O)=O)cc3)c2)ccc1N1CCOCC1,LURTWLZARGYSNS-UHFFFAOYSA-N
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-rxn:5:189670:225591:227437,CC(C)(C)S(=O)/N=C/c1cc(-c2cc(CN3CCCC3)ccc2F)ccc1-c1ccnc(C2CCCO2)c1,OKGMYOCURLFTPM-QXUDOOCXSA-N
-rxn:5:189670:227331:226045,CC(C)Oc1cccc(F)c1-c1ccc(-c2ccc(C(F)(F)C(F)(F)F)nc2)c(/C=N/S(=O)C(C)(C)C)c1,RGDMAGPJBKWXOS-PTEHHBOZSA-N
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-rxn:5:189718:228214:225834,O=[N+]([O-])c1cc(-c2cc(N3CCCCC3)ncc2F)c(-c2cnc(C3CC3)cc2F)cc1OC1CCOCC1,JDOSMDQCHDVYLB-UHFFFAOYSA-N
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-rxn:5:189908:226662:227303,CN(C)Cc1cccc(-c2ncc(-c3ccc(N4CCN(C)CC4)s3)cc2OCC2CCCCC2)c1F,LDECPLVWBZYHEJ-UHFFFAOYSA-N
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-rxn:5:189952:227316:225978,COc1c(-c2cc(F)nc(CC(C)C)c2)cc(C(=O)N2CCOCC2)cc1-c1ccc(N2CCOCC2)nc1F,KJCPMWBLECMRDU-UHFFFAOYSA-N
-rxn:5:190001:227929:225446,CCOc1cc(C)ccc1-c1cc(CC(=O)N2CCCCC2)ccc1-c1cc(C)cc(OC2CCCC2)c1,NKXRRWONNPKKPS-UHFFFAOYSA-N
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-rxn:5:190128:226729:223201,COC1CCN(C(=O)c2ccc(-c3cnc(OC4CCOC4)nc3)c(-c3ccccc3C3CCNC3)c2)CC1,MXFOCZJHMSBVFL-UHFFFAOYSA-N
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-rxn:5:190197:223061:223113,CN(Cc1ccc(-c2ccc3c(c2)C(C)(C)C(=O)N3)cc1-c1cc(C2CCNCC2)ncc1F)C1CCOCC1,BTXQSVAYVYUFCN-UHFFFAOYSA-N
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-rxn:5:190197:225822:227284,CN(Cc1ccc(-c2cc(C#N)ncc2C2CC2)cc1-c1cccc(C(F)(F)F)c1C1CC1)C1CCOCC1,SFAISUCGGULDFI-UHFFFAOYSA-N
-rxn:5:190197:225849:228695,CN(C)Cc1cc(-c2ccc(CN(C)C3CCOCC3)c(-c3cnc(N4CCCCC4)cc3F)c2)cs1,KTUXBWBNNLIFJN-UHFFFAOYSA-N
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-rxn:5:190197:227298:223062,CN(C)Cc1ccc(F)cc1-c1cc(-c2cnc(C3CCNCC3)cc2F)ccc1CN(C)C1CCOCC1,KSGAOHITXLESPZ-UHFFFAOYSA-N
-rxn:5:190197:227298:223065,CN(C)Cc1ccc(F)cc1-c1cc(-c2ccc(N3CCNCC3)cc2F)ccc1CN(C)C1CCOCC1,PROOCLHWYPAPIQ-UHFFFAOYSA-N
-rxn:5:190197:227303:223062,CN(C)Cc1cccc(-c2cc(-c3cnc(C4CCNCC4)cc3F)ccc2CN(C)C2CCOCC2)c1F,FPYFTYNLTWOPTA-UHFFFAOYSA-N
-rxn:5:190197:227303:226426,CC1CCN(c2ccc(-c3ccc(CN(C)C4CCOCC4)c(-c4cccc(CN(C)C)c4F)c3)s2)CC1,VATAMKUVEIROCH-UHFFFAOYSA-N
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-rxn:5:190198:226444:227298,Cc1nc(C2CCCO2)ccc1-c1cccc(-c2cc(F)ccc2CN(C)C)c1CN(C)C1CCOCC1,RVZKHJDSWCNDNQ-UHFFFAOYSA-N
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-rxn:5:190199:226426:227298,CC1CCN(c2ccc(-c3ccc(-c4cc(F)ccc4CN(C)C)cc3CN(C)C3CCOCC3)s2)CC1,KTONQQMBWBRJRK-UHFFFAOYSA-N
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-rxn:5:190200:225620:223252,CN(Cc1cc(-c2ccc(OC3CCOCC3)cc2)cc(-c2cc(F)c3c(c2)NCCO3)c1)C1CCOCC1,FHUZSCCDYPSAPH-UHFFFAOYSA-N
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-rxn:5:190741:225833:225655,CCOC(=O)c1cnc2c(-c3ccnc(N4CCCCC4)c3F)cc(C)cc2c1-c1cncc(N2CCC(C)CC2)c1,ZXISYQNXADJJPB-UHFFFAOYSA-N
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-rxn:5:190742:223061:225881,CCOC(=O)c1cnc2c(C)ccc(-c3cc(C4CCNCC4)ncc3F)c2c1-c1ccc(C2CCOCC2)nc1F,PYXMWYOZDOCHPN-UHFFFAOYSA-N
-rxn:5:190742:223065:223056,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(N4CCNCC4)cc3F)c2c1-c1ccc(N2CCC(O)CC2)nc1,FFIHWDSIIQPGPA-UHFFFAOYSA-N
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-rxn:5:190743:225833:225976,CCOC(=O)c1cnc2c(C)c(-c3ccnc(N4CCCCC4)c3F)ccc2c1-c1ccnc(N2CCOCC2)c1F,SQWMDQSWGKNPQV-UHFFFAOYSA-N
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-rxn:5:190798:227404:222983,CC(C)(C)OC(=O)n1cc(-c2cc(N3CCCCC3)cs2)c2cc(-c3cccc(CN4CCC(O)C4)c3)ccc21,SOUJDWWXCLMLCQ-UHFFFAOYSA-N
-rxn:5:190832:226437:225655,CCOC(=O)c1cnc2cc(C)c(-c3cc(C4CCCC4)ncc3F)c(C)c2c1-c1cncc(N2CCC(C)CC2)c1,QPDLQHUDSAXZNM-UHFFFAOYSA-N
-rxn:5:190859:226916:227052,CC(C)(C)OC(=O)N1CCc2c1ccc(-c1cccc(C3=CCCC3)c1)c2-c1ccc(SC(C)(C)C)cc1,MNHYUNXDUVAFOT-UHFFFAOYSA-N
-rxn:5:190998:223056:226366,COC(=O)c1cc(-c2ccnc(N3CCCCC3)c2)ccc1N1Cc2cc(-c3ccc(N4CCC(O)CC4)nc3)ccc2OCC1=O,RHWQMCYFHJMRJA-UHFFFAOYSA-N
-rxn:5:190998:226366:226679,COC(=O)c1cc(-c2cnc(N3CCCC3)cc2F)ccc1N1Cc2cc(-c3ccnc(N4CCCCC4)c3)ccc2OCC1=O,KTUOYGSLDMNBHH-UHFFFAOYSA-N
-rxn:5:190998:228653:226644,COC(=O)c1cc(-c2cncc(N3CCOCC3)c2)ccc1N1Cc2cc(-c3cnn4c3CCCC4)ccc2OCC1=O,JKBILWDOKTZILI-UHFFFAOYSA-N
-rxn:5:191026:227346:228157,CCCc1cc(F)c(-c2ccc3c(c2)N(c2ccc(C)c(-c4ccc(OC)cc4OC)c2)C=C(C(=O)OC)S3(=O)=O)c(F)c1,ZVAONWCQMOLGKB-UHFFFAOYSA-N
-rxn:5:191026:227808:227591,COC(=O)C1=CN(c2ccc(C)c(-c3ccc(C(F)F)cc3OC)c2)c2cc(-c3ccc4c(c3)CCCC4)ccc2S1(=O)=O,ITGKNXPELBACJP-UHFFFAOYSA-N
-rxn:5:191026:227989:227592,CC#Cc1ccc(F)c(-c2ccc3c(c2)N(c2ccc(C)c(-c4cc(F)cc(OC)c4OC)c2)C=C(C(=O)OC)S3(=O)=O)c1,NOBVJXCBVPHKMC-UHFFFAOYSA-N
-rxn:5:191049:223062:228712,COc1cc(N2Cc3cc(-c4cnc(C5CCNCC5)cc4F)ccc3OCC2=O)c(OC)cc1-c1ccnn1C1CCC1,IJNFSMMYCUFDPX-UHFFFAOYSA-N
-rxn:5:191049:223065:225834,COc1cc(N2Cc3cc(-c4ccc(N5CCNCC5)cc4F)ccc3OCC2=O)c(OC)cc1-c1cc(N2CCCCC2)ncc1F,DTEQSDQAWLGMHS-UHFFFAOYSA-N
-rxn:5:191049:223143:228271,COc1cc(C)c(-c2cc(OC)c(N3Cc4cc(-c5cccc(N6CCC(O)C6)c5)ccc4OCC3=O)cc2OC)cc1F,PJFHQWFCFMUBHN-UHFFFAOYSA-N
-rxn:5:191049:226644:226794,COc1cc(N2Cc3cc(-c4cncc(N5CCOCC5)c4)ccc3OCC2=O)c(OC)cc1-c1cnc(N2CCSCC2)nc1,SCGYQTUICHYJIE-UHFFFAOYSA-N
-rxn:5:191049:227561:227052,COc1cc(F)c(-c2ccc3c(c2)CN(c2cc(OC)c(-c4ccc(SC(C)(C)C)cc4)cc2OC)C(=O)CO3)cc1OC,WIKCSLKGWXAUJJ-UHFFFAOYSA-N
-rxn:5:191049:227770:225944,COc1cc(N2Cc3cc(-c4cnc(OC)c([N+](=O)[O-])c4)ccc3OCC2=O)c(OC)cc1-c1c(F)cc(F)c(OC(C)C)c1F,BPWVKHKHDKFQNZ-UHFFFAOYSA-N
-rxn:5:191049:228653:223065,COc1cc(N2Cc3cc(-c4cnn5c4CCCC5)ccc3OCC2=O)c(OC)cc1-c1ccc(N2CCNCC2)cc1F,QBLROHXKZFULOS-UHFFFAOYSA-N
-rxn:5:191802:225607:223004,CC(c1ccc(-c2cc(-c3ccc(C4CCNCC4)c(F)c3)ccc2C=C[N+](=O)[O-])s1)N1CCCCC1,MDNWSSSONOXENK-UHFFFAOYSA-N
-rxn:5:192882:225472:225657,Cc1cc(-c2cc(-c3cccc(N4CCCCC4C)c3)cnc2OC2CCCC2)ccc1N1CCOCC1,BZFXRVILMPJTFO-UHFFFAOYSA-N
-rxn:5:193226:223006:222987,Cc1nc(C2CCNCC2)ccc1-c1cc(C(=O)N2CCOCC2)ccc1-c1ccc(F)c(C2CCNCC2)c1,NLJCXHJTVDPNPZ-UHFFFAOYSA-N
-rxn:5:193226:223061:226364,O=C(c1ccc(-c2cc(C3CCNCC3)ncc2F)c(-c2ccc(N3CCCCC3)nc2)c1)N1CCOCC1,FYRGPUDWJQFPJK-UHFFFAOYSA-N
-rxn:5:193226:225849:227379,O=C(c1ccc(-c2cnc(N3CCCCC3)cc2F)c(-c2cccnc2N2CCCC2)c1)N1CCOCC1,AHSNPZNDHHDCMB-UHFFFAOYSA-N
-rxn:5:193226:225982:226395,O=C(c1ccc(-c2cnc(N3CCOCC3)cc2F)c(-c2cncc(N3CCCCC3)c2)c1)N1CCOCC1,USTCEZBAXTXXKG-UHFFFAOYSA-N
-rxn:5:193226:227387:225980,O=C(c1ccc(-c2ccnc(N3CCCC3)c2)c(-c2cc(N3CCOCC3)ncc2F)c1)N1CCOCC1,VUHVDYJMLKTSKQ-UHFFFAOYSA-N
-rxn:5:193227:226645:223006,O=C(c1cc(-c2ccnc(N3CCOCC3)c2)cc(-c2ccc(F)c(C3CCNCC3)c2)c1)N1CCOCC1,MFAKKFZNBWPKIC-UHFFFAOYSA-N
-rxn:5:193229:222405:225634,Cc1cc(-c2c(C(=O)N3CCOCC3)cccc2-c2cccc(C3NC(=O)NC3=O)c2)cnc1N1CCCCC1,KGXMZRIQELVCPR-UHFFFAOYSA-N
-rxn:5:193229:223006:225655,CC1CCN(c2cncc(-c3c(C(=O)N4CCOCC4)cccc3-c3ccc(F)c(C4CCNCC4)c3)c2)CC1,OCLQNUPEDVOSEO-UHFFFAOYSA-N
-rxn:5:193229:223061:226644,O=C(c1cccc(-c2cc(C3CCNCC3)ncc2F)c1-c1cncc(N2CCOCC2)c1)N1CCOCC1,QEZCWGGZNBMMQN-UHFFFAOYSA-N
-rxn:5:193229:223062:225655,CC1CCN(c2cncc(-c3c(C(=O)N4CCOCC4)cccc3-c3cnc(C4CCNCC4)cc3F)c2)CC1,BCMXTDPGXYGXNH-UHFFFAOYSA-N
-rxn:5:193229:225976:223006,O=C(c1cccc(-c2ccnc(N3CCOCC3)c2F)c1-c1ccc(F)c(C2CCNCC2)c1)N1CCOCC1,BTLLYZAOVHEPOA-UHFFFAOYSA-N
-rxn:5:193229:225982:223141,O=C(c1cccc(-c2cnc(N3CCOCC3)cc2F)c1-c1cncc(C2CCNCC2)c1)N1CCOCC1,XUZNNXKBEOXZLD-UHFFFAOYSA-N
-rxn:5:193230:225976:225784,O=C(c1ccc(-c2ccnc(N3CCOCC3)c2F)cc1-c1ccc(CN2CCOCC2)nc1)N1CCOCC1,GEDLEJUKIKIBOG-UHFFFAOYSA-N
-rxn:5:193230:225982:227376,O=C(c1ccc(-c2cnc(N3CCOCC3)cc2F)cc1-c1cncc(N2CCCC2)c1)N1CCOCC1,RFUAQYXXZBKIJE-UHFFFAOYSA-N
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-rxn:5:193329:223006:227804,O=[N+]([O-])c1cc(-c2c(-c3ccc(F)c(C4CCNCC4)c3)ccnc2OC2CCCCC2)c([N+](=O)[O-])s1,LNJGDMVYXVRLOF-UHFFFAOYSA-N
-rxn:5:193332:226848:225598,COc1ccc(-c2cc(-c3cccc(CN4CCSCC4)c3)ccc2CN2CCOCC2)c(C(F)(F)F)n1,GBNFRQDOUZBOKB-UHFFFAOYSA-N
-rxn:5:193333:225598:226182,c1cc(CN2CCSCC2)cc(-c2ccc(CN3CCOCC3)cc2-c2cccnc2C2CCCCC2)c1,NZYLRBBIERHLJT-UHFFFAOYSA-N
-rxn:5:193333:226686:223146,Cc1cnn(C2CCCCO2)c1-c1ccc(CN2CCOCC2)cc1-c1cccc(C2CNCCO2)c1,CGJXKNBOENWMJL-UHFFFAOYSA-N
-rxn:5:193336:227768:225872,CN(C)S(=O)(=O)n1cccc1-c1cccc(CN2CCOCC2)c1-c1cc(F)c(F)c(N2CCCC2)c1,HDWXQTMOYDAUCE-UHFFFAOYSA-N
-rxn:5:193337:227390:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(-c2ccnn2C2CCCCC2)cc1CN1CCOCC1,SVJIBKOTSKBUJH-UHFFFAOYSA-N
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-rxn:5:193382:222404:223004,O=C1NC(=O)C(c2ccc(-c3ccc(S(=O)(=O)N4CCOCC4)c(-c4ccc(C5CCNCC5)c(F)c4)c3)cc2)N1,QABKACVTIGYFFQ-UHFFFAOYSA-N
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-rxn:5:193382:222987:226335,Cc1nc(C2CCNCC2)ccc1-c1ccc(S(=O)(=O)N2CCOCC2)c(-c2ccc(C3COC3)c(C#N)c2)c1,UPNMKNDITHNDMV-UHFFFAOYSA-N
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-rxn:5:193382:226335:227092,Cc1nc(C2CCC2)ccc1-c1cc(-c2ccc(C3COC3)c(C#N)c2)ccc1S(=O)(=O)N1CCOCC1,JPOVYVUJELVLQG-UHFFFAOYSA-N
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-rxn:5:193382:226645:226447,O=S(=O)(c1ccc(-c2ccnc(N3CCOCC3)c2)cc1-c1ccnc(C2CCOCC2)c1)N1CCOCC1,LJXRMBRONZORHO-UHFFFAOYSA-N
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-rxn:5:193382:228150:222987,COC(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3ccc(C4CCNCC4)nc3C)c2)cc1,FMZQGKDISZZRGO-UHFFFAOYSA-N
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-rxn:5:193537:226133:222985,Cc1nc(C2CCCNC2)ccc1-c1cccc(CN2CCCCC2)c1-c1cc(C2CC2)cc(C#N)c1C,DIORYSVEDSPNAP-UHFFFAOYSA-N
-rxn:5:193539:226452:226686,Cc1cnn(C2CCCCO2)c1-c1cc(CN2CCCCC2)ccc1-c1ccc(C2OCCCO2)cc1,AZNXPUMDYBMLHK-UHFFFAOYSA-N
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-rxn:5:193681:225976:227301,CN(C)Cc1cc(F)ccc1-c1ccc(-c2ccnc(N3CCOCC3)c2F)cc1OC1CCN(C)CC1,GFSSIMKLLUKTDZ-UHFFFAOYSA-N
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-rxn:5:193756:226611:226374,CCc1ccc(C(F)(F)F)cc1-c1ccc(C(=O)N2CCCCC2C)c(-c2cncnc2C2CCCCC2)c1,SVQBBXKJCIUSPX-UHFFFAOYSA-N
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-rxn:5:193808:227292:225982,CC1CCN(Cc2cc(-c3ccc(F)c(CN(C)C)c3)ccc2-c2cnc(N3CCOCC3)cc2F)CC1,NIODHLPTUMRQBC-UHFFFAOYSA-N
-rxn:5:193809:225976:227298,CC1CCN(Cc2ccc(-c3ccnc(N4CCOCC4)c3F)cc2-c2cc(F)ccc2CN(C)C)CC1,XPEHOXKVQCFZCF-UHFFFAOYSA-N
-rxn:5:193809:226654:227301,CC1CCN(Cc2ccc(-c3csc(N4CCC(C)CC4)n3)cc2-c2ccc(F)cc2CN(C)C)CC1,YXMOERLXMSFGAD-UHFFFAOYSA-N
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-rxn:5:193809:227292:223062,CC1CCN(Cc2ccc(-c3ccc(F)c(CN(C)C)c3)cc2-c2cnc(C3CCNCC3)cc2F)CC1,NSJLNEZZPNZXJM-UHFFFAOYSA-N
-rxn:5:193809:227292:225980,CC1CCN(Cc2ccc(-c3ccc(F)c(CN(C)C)c3)cc2-c2cc(N3CCOCC3)ncc2F)CC1,TYRGBWQIGOOAGL-UHFFFAOYSA-N
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-rxn:5:193868:226351:228871,COC(=O)c1ccsc1-c1ccc(-c2cc(C)c(F)c(OC(C)C)c2)cc1C(=O)N1CC(C)OC(C)C1,DJGDCISAKUFAIK-UHFFFAOYSA-N
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-rxn:5:193870:222988:228869,COC(=O)c1cc(-c2cc(-c3cc(C)nc(C4CCNCC4)c3)c(C)cc2S(=O)(=O)N2CCCCC2)cs1,OHVASAZRIRTUJV-UHFFFAOYSA-N
-rxn:5:193872:225980:223437,N#Cc1cc(-c2cc(C(=O)N3CCC4(CC3)CC4)ccc2-c2cc(N3CCOCC3)ncc2F)cc(=O)[nH]1,CINBJVYHVMGYRW-UHFFFAOYSA-N
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-rxn:5:194397:223062:227506,O=C(c1ccc(-c2cccc(/C=C/[N+](=O)[O-])c2)cc1-c1cnc(C2CCNCC2)cc1F)N1CC2CC2C1,MMZSLROIVQNSPE-DHZHZOJOSA-N
-rxn:5:194397:223062:227507,O=C(c1ccc(-c2cccc(C=C[N+](=O)[O-])c2)cc1-c1cnc(C2CCNCC2)cc1F)N1CC2CC2C1,MMZSLROIVQNSPE-UHFFFAOYSA-N
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-rxn:5:197876:226062:226325,CC(C)c1cc(-c2cc3c(cc2-c2ccc(C(C)(C)C#N)cc2F)C(=O)N(C(C)(C)C)S3(=O)=O)cc(C(C)C)c1,WBOBMCHICQVKJL-UHFFFAOYSA-N
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-rxn:5:197876:226068:226761,CSc1ccc(-c2cc3c(cc2-c2c(C)cc(C(C)(C)C)cc2C)S(=O)(=O)N(C(C)(C)C)C3=O)c(C(F)(F)F)c1,BNYMHXQQCNRFBY-UHFFFAOYSA-N
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-rxn:5:197876:227530:226920,COC(=O)c1ccc(F)c(-c2cc3c(cc2-c2cc(C(C)(C)C)ccc2C)C(=O)N(C(C)(C)C)S3(=O)=O)c1,SACUVPLAUUARPJ-UHFFFAOYSA-N
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-rxn:4:176671:223559,COC(=O)c1cccc(C(F)F)c1-c1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)OC(C)(C)C,HHRQBBHEGPZXAI-UHFFFAOYSA-N
-rxn:4:177335:223660,COC(=O)c1ccc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)s2)c(OC)c1C,IJTDWPFCVJKCFU-UHFFFAOYSA-N
-rxn:4:177680:223596,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)ccc2-c2ccc(-c3cccc(OC(F)(F)F)c3)c(F)c2)CC1,OWIPTEYEIVBBJX-UHFFFAOYSA-N
-rxn:4:177839:223788,COC(=O)C1(c2cccc(-c3ccc(OC4CN(C(=O)OC(C)(C)C)C4)cc3)c2)CCC1,WRHCJUDFXGPHLP-UHFFFAOYSA-N
-rxn:4:178293:223559,COC(=O)C1(c2ccccc2-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)CCC(=O)CC1,FVNVLCYBRQVPMQ-UHFFFAOYSA-N
-rxn:4:178384:227518,COc1ccc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c(F)c1C#N,IJDQJOUCICUXNB-UHFFFAOYSA-N
-rxn:4:178384:228431,CSc1c(F)cc(F)cc1-c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1,ZPFBSGIUIFJAAH-UHFFFAOYSA-N
-rxn:4:178477:223559,COC(=O)c1cc2cc(-c3ccc4c(c3)C(C)=CC(C)(C)N4C(=O)OC(C)(C)C)ccc2cc1OC,CGGJIIFEVVJCNV-UHFFFAOYSA-N
-rxn:4:178835:223493,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccc(C(F)C(F)F)cc1,JAXZKGXVDUUWPM-UHFFFAOYSA-N
-rxn:4:178932:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3cccc(S(=O)(=O)C(F)F)c3F)cc21,UIQXJKUNQVMSOW-UHFFFAOYSA-N
-rxn:4:179298:223559,CC(=O)c1c(C(F)(F)F)ccc(Cl)c1-c1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)OC(C)(C)C,UEHBKUNKGUPIOE-UHFFFAOYSA-N
-rxn:4:181923:223841,Cc1cc(F)c(-c2cc(F)c(C3(C)OCCO3)c(F)c2)cc1S(=O)(=O)N1CCN(C)CC1,WAXLPOUBWUKCGB-UHFFFAOYSA-N
-rxn:4:182210:223536,CCC1Oc2ccc(-c3cc(F)c(F)c(N4CCN(C(=O)OC(C)(C)C)CC4)c3)cc2C1=O,DCHKYDMIZQMKFZ-UHFFFAOYSA-N
-rxn:4:182285:223597,COc1ccc2c(c1-c1ccc(OCCN3CCC4(CC3)OCCO4)c(Cl)c1)OCCCO2,TVGPEMFLVPJNDW-UHFFFAOYSA-N
-rxn:4:182359:223811,COC1CCC2(CC1)Oc1ccc(-c3ccc(CN4CCC5(CC4)OCCO5)c(Cl)c3)cc1C2=O,KIUKYMUABSCUTI-UHFFFAOYSA-N
-rxn:4:182372:224265,CO[C@H]1CC[C@]2(CC1)Cc1ccc(-c3cc(C4CCCCC4)cc(C(F)(F)F)c3)cc1C2=O,LDOWNTWFQIDBPZ-HNKWHGCMSA-N
-rxn:4:182372:224401,CO[C@H]1CC[C@]2(CC1)Cc1ccc(-c3ccc(C4COCCO4)c(C(F)(F)F)c3)cc1C2=O,HCHDGWFWTMJVCC-BMNBOFGQSA-N
-rxn:4:182372:224656,COc1ccc(-c2ccc3c(c2)C(=O)[C@]2(CC[C@H](OC)CC2)C3)c(F)c1OC1CCCC1,ZMJLUJIOCLDWTR-GEQDBVPJSA-N
-rxn:4:182684:223481,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3csc4cc(F)c(F)cc34)c(F)c2)CC1,HYEHUCHCQWTHRO-UHFFFAOYSA-N
-rxn:4:183096:223481,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3ccc4c(c3)C(Cl)CCC4)c(F)c2)CC1,ZONANQZDECWTMV-UHFFFAOYSA-N
-rxn:4:183268:223843,CCN(CC)S(=O)(=O)c1ccc(-c2ccc3c(c2)C(C)(C)CCC3(C)C)c(C(F)(F)F)c1,PHUQLVAQQHJSSF-UHFFFAOYSA-N
-rxn:4:183273:227835,Cc1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1C1CC1,VHWCOQCMDZMBFG-UHFFFAOYSA-N
-rxn:4:183273:228702,CC(C)c1ncncc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,WEWIOFFTRYNDPU-UHFFFAOYSA-N
-rxn:4:183273:228810,CSc1c(Cl)cccc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,SUJHXTHBMDTOFC-UHFFFAOYSA-N
-rxn:4:183274:225872,Fc1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCOCCO3)cc(N2CCCC2)c1F,HQCGAIUASPLTQB-UHFFFAOYSA-N
-rxn:4:183274:227834,Cc1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCOCCO3)ccc1C1CC1,FVYZHUUFKNSKBL-UHFFFAOYSA-N
-rxn:4:183484:222815,COC(=O)C(C(=O)OC)c1cc(-c2ccc(S(=O)(=O)NC(=O)C(C)C)cc2)ccc1C#N,PBSPGLUUOIDQMZ-UHFFFAOYSA-N
-rxn:4:183632:224728,CCN(CC)C(=O)c1cc(OC(F)F)cc(-c2cc(OC)ncc2C(=O)OC(C)(C)C)c1,VZLBWEGAQDPOEF-UHFFFAOYSA-N
-rxn:4:183668:222759,Cc1cc(NC(=O)OC(C)(C)C)cc(-c2ccc(C(=O)C(C#N)C(=O)OC(C)(C)C)cc2)c1,KUBQYRUKGSILDQ-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:4:183709:223568,CCN(CC)Cc1ccc(-c2cnc3c(ccn3[Si](C(C)C)(C(C)C)C(C)C)c2Cl)cc1C(=O)OC,GVBHZPIBGGMSMC-UHFFFAOYSA-N
-rxn:4:183723:223840,COc1ccc(-c2ccc(OC(F)(F)F)cc2OCCN2CCCC2)cc1S(=O)(=O)N1CCN(C)CC1,KWFWVFHHRUEONK-UHFFFAOYSA-N
-rxn:4:183726:224591,CCCOc1cc(-c2ccc(Cl)c(CN3CCC(C)CC3)c2)ccc1C(=O)ON1C(=O)CCC1=O,OTGSDBAGYJOLHO-UHFFFAOYSA-N
-rxn:4:183726:225271,CCCOc1cc(-c2cc(OC)c(OC)cc2C(=O)OC)ccc1C(=O)ON1C(=O)CCC1=O,GIUIMIIQGHHWIW-UHFFFAOYSA-N
-rxn:4:183743:222604,CCCCOc1cc(-c2ccc(OC)c(S(=O)(=O)NC3CCCC3)c2)ccc1C(=O)N1CCC1,KHRJQRRERVLXNA-UHFFFAOYSA-N
-rxn:4:183763:224076,CC(C)(C)OC(=O)ON(c1ccc(F)cc1-c1ccc2c(ccn2[Si](C)(C)C(C)(C)C)c1)C1CC1,QTKJHXSNMUHTIT-UHFFFAOYSA-N
-rxn:4:183873:225671,COC(=O)c1cc(OCCN2CCCCC2)cc(-c2cc(C3CCCCC3)ncc2F)c1,OOFNAIKNIMJWJG-UHFFFAOYSA-N
-rxn:4:183885:226239,CCCOC(=O)c1ccc(-c2ccccc2OCCCN2CCCC(C(F)(F)F)C2)cc1,CNBOBZDIVFYAGJ-UHFFFAOYSA-N
-rxn:4:183892:222959,COC(=O)c1cc(OCCN2CCC(F)(F)CC2)cc(-c2ccc(C3CCNCC3)c(C)c2)c1,OXRNFTMYJCTDRO-UHFFFAOYSA-N
-rxn:4:183892:224735,COC(=O)c1cc(OCCN2CCC(F)(F)CC2)cc(-c2ccc(C(F)(F)F)c(OCC(C)C)c2)c1,SKDQXPMQEPYGSP-UHFFFAOYSA-N
-rxn:4:183892:225827,COC(=O)c1cc(OCCN2CCC(F)(F)CC2)cc(-c2ccnc(N3CCN(C)CC3)c2)c1,DEPVMBWOYNLDSV-UHFFFAOYSA-N
-rxn:4:183915:222623,CCC(C)c1cc(-c2cc(OC(F)(F)F)ccc2OCCN2CCC(C)CC2)cc(C2CCNCC2)n1,AIYUAQXXQPULIH-UHFFFAOYSA-N
-rxn:4:183915:223998,CC1CCN(CCOc2ccc(OC(F)(F)F)cc2-c2ccc(S(=O)(=O)N3CCC(C)CC3)c(F)c2)CC1,VUEWHJISILWLSC-UHFFFAOYSA-N
-rxn:4:183915:226544,COC(=O)c1ccc(-c2cc(OC(F)(F)F)ccc2OCCN2CCC(C)CC2)c(OC)c1,ULLRUWXJJYABRY-UHFFFAOYSA-N
-rxn:4:183922:225379,CC(=O)Oc1ccc(N(C(C)=O)S(=O)(=O)c2ccc(C)cc2)cc1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1,MMMJYXIFMPDZTM-UHFFFAOYSA-N
-rxn:4:183941:227785,CCCCN(C1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(-c2ccc(F)nc2C(F)(F)F)cc1,OAWFESGBZDLPPY-UHFFFAOYSA-N
-rxn:4:183962:223480,Cc1cc(OCC2CN(C(=O)OC(C)(C)C)C2)cc(-c2cc(C)c(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c(C)c2)c1,BVSATWCBVSHIPH-UHFFFAOYSA-N
-rxn:4:183966:223531,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cc(Cl)cc(OCC4CCN(C(=O)OC(C)(C)C)C4)c3)cc2Cl)CC1,MGLGPQJGFUZTNQ-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:4:183986:226577,Cc1cc(-c2cc(Cl)cc(C(=O)N(C)C)c2)cc(CN(C(=O)OC(C)(C)C)C(C)C)c1F,FVQTYDBOLKXURO-UHFFFAOYSA-N
-rxn:4:184001:223045,COC(=O)C1(c2ccc(-c3cc(C(=O)NC(C)C)ccc3F)cc2Cl)CCN(C(=O)OC(C)(C)C)C1,NRDNVYDSBWQETH-UHFFFAOYSA-N
-rxn:4:184018:222928,Cc1nc(N2CCC(O)CC2)ncc1-c1ccccc1OCC1CCN(C(=O)OC(C)(C)C)CC1,MFGBPFUEPVABOX-UHFFFAOYSA-N
-rxn:4:184023:223776,CC(C)(C)OC(=O)N1CCC(COc2cc(Cl)cc(-c3ccc4c(c3)CN(C(=O)OC(C)(C)C)CCO4)c2)CC1,RTLPQMRTEIMHMG-UHFFFAOYSA-N
-rxn:4:184023:227528,COC(=O)c1ccc(-c2cc(Cl)cc(OCC3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1F,YFZBLNVFJCEVQM-UHFFFAOYSA-N
-rxn:4:184027:222684,CC(C)(C)OC(=O)N1CCC(COc2ccc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)cc2F)CC1,XVDIHKXCRIJOAK-UHFFFAOYSA-N
-rxn:4:184031:223521,CC(c1cccc(-c2cc(F)cc(OCC3CCCN(C(=O)OC(C)(C)C)C3)c2)c1)N1CCN(C(=O)OC(C)(C)C)CC1,WDCOGLNDWGCJPK-UHFFFAOYSA-N
-rxn:4:184031:226003,COC(=O)c1ccc([N+](=O)[O-])cc1-c1cc(F)cc(OCC2CCCN(C(=O)OC(C)(C)C)C2)c1,DXFNELZGEIRDHO-UHFFFAOYSA-N
-rxn:4:184034:226526,CCOC(=O)C1CCN(S(=O)(=O)c2cc(-c3cc(C(=O)OC)ccc3OC)c(C)cc2OC)CC1,SBTQVFBXQFKCDB-UHFFFAOYSA-N
-rxn:4:184034:226589,CCOC(=O)C1CCN(S(=O)(=O)c2cc(-c3cc(C(F)F)ncc3C(C)C)c(C)cc2OC)CC1,DFWNTLXIDZXDTD-UHFFFAOYSA-N
-rxn:4:184055:223573,COc1cc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)cc2)ccc1OC1CCN(C(=O)OC(C)(C)C)CC1,JSKADTYGUVARLS-UHFFFAOYSA-N
-rxn:4:184070:224600,COC(=O)C1(c2ccc(-c3cc(F)c(-c4ccc(C)cc4)cc3F)cc2C)CCN(C(=O)OC(C)(C)C)C1,RRXGJQLDVCVYOC-UHFFFAOYSA-N
-rxn:4:184070:229015,COC(=O)C1(c2ccc(-c3ccsc3C(C)C)cc2C)CCN(C(=O)OC(C)(C)C)C1,CPOGUYQAJVLDBV-UHFFFAOYSA-N
-rxn:4:184099:225702,COC(=O)n1c(-c2ccc(C(C)N(C(=O)OC(C)(C)C)C3CCC(C)(C)CC3)cc2)cc2ccccc21,XGJLEGQUEBTYDR-UHFFFAOYSA-N
-rxn:4:184132:224719,COC(=O)c1cc(-c2cn(C(=O)OC(C)(C)C)nc2C(C)C)cc2c1ccn2CC(=O)OC(C)(C)C,XDMGYMDZSHGIMW-UHFFFAOYSA-N
-rxn:4:184164:223557,COC(=O)c1c(C)oc2ccc(N(C(C)=O)S(=O)(=O)c3ccc(-c4c(F)ccc5c4ccn5[Si](C(C)C)(C(C)C)C(C)C)cc3)cc12,VSVFDGKLTRCJHX-UHFFFAOYSA-N
-rxn:4:184165:225358,COC(=O)c1cc(-c2cc(N(C(C)=O)S(=O)(=O)c3ccc(Cl)cc3)c3ccccc3c2OC(C)=O)cc(C(F)(F)F)c1,AIZAIOWWEKMWDF-UHFFFAOYSA-N
-rxn:4:184167:222829,CNS(=O)(=O)c1ccc(-c2ccc3cc(CN(C(=O)OC(C)(C)C)C4CC4)ccc3c2)c(C(F)(F)F)c1,HMYLLGBZYFFGHX-UHFFFAOYSA-N
-rxn:4:184181:224970,CC(C)N(Cc1ccc(-c2ccc(S[Si](C)(C)C(C)(C)C)cc2)c2ccccc12)C(=O)OC(C)(C)C,KELSTZNZWDZBSJ-UHFFFAOYSA-N
-rxn:4:184207:222814,CC(=O)c1c(C)oc2ccc(N(C(=O)c3ccccc3Cl)S(=O)(=O)c3ccc(-c4ccnc(NC(=O)OC(C)(C)C)c4F)cc3)cc12,HYPSYTRBQJAZQL-UHFFFAOYSA-N
-rxn:4:184304:224256,COC(=O)c1cnc(OCC(F)(F)F)c(-c2ccc(Cl)c(C(=O)N3CCCCC3C)c2)c1,IXGBCJABZVQCRD-UHFFFAOYSA-N
-rxn:4:184401:223559,COC(=O)Cc1ccc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)c(C#N)c1C(F)F,LXUZXAKBWAWMAG-UHFFFAOYSA-N
-rxn:4:184617:223602,CCOC(OCC)c1ccc(-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2Cl)cn1,PVGNUJIVJCCVCN-UHFFFAOYSA-N
-rxn:4:184693:224276,CC(C)(C)OC(=O)n1cc(-c2cc(OC(F)(F)F)cc(S(=O)(=O)C(C)(C)C#N)c2)c2ncccc21,GBVTUESGDWJAGS-UHFFFAOYSA-N
-rxn:4:184693:224277,CC(C)(C)OC(=O)n1ccc2c(-c3cc(OC(F)(F)F)cc(S(=O)(=O)C(C)(C)C#N)c3)ccnc21,YAJCTTMTQDKWFL-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:4:184763:222814,COC(=O)c1ccc(-c2ccnc(NC(=O)OC(C)(C)C)c2F)n1C(=O)OC(C)(C)C,HMRDZNLAGUQKKJ-UHFFFAOYSA-N
-rxn:4:184765:224609,COC(=O)c1c(-c2cnccc2C(=O)N(C(C)C)C(C)C)ccn1C(=O)OC(C)(C)C,KWSBWLAYGABABX-UHFFFAOYSA-N
-rxn:4:184773:224728,CCN(CC)C(=O)c1ccc(C(F)(F)F)cc1-c1cc(OC)ncc1C(=O)OC(C)(C)C,NZUFEJPXHDHXMM-UHFFFAOYSA-N
-rxn:4:184890:223057,COC(=O)C1CN(Cc2cc(-c3cc(Cl)nc(C4CCCNC4)c3)ccc2C(F)(F)F)C1,OGINZEZCMIVJKA-UHFFFAOYSA-N
-rxn:4:184891:225273,CCCOc1cc(C(F)(F)F)ccc1-c1cc(C(F)(F)F)ccc1OCC(=O)N1CCCC1,CDVPSCPBXZUROE-UHFFFAOYSA-N
-rxn:4:184891:225910,CCOc1cc(C(F)(F)F)ccc1-c1cc(C(F)(F)F)ccc1OCC(=O)N1CCCC1,BVEKUCBJWQJKAU-UHFFFAOYSA-N
-rxn:4:184921:224593,CC1CCN(Cc2cc(-c3cccc(F)c3OCCCN3CCC(F)(F)C3)ccc2F)CC1,CXNSJXNBDDFCGI-UHFFFAOYSA-N
-rxn:4:184930:223822,CC(C)(C)COC(=O)c1ccc(C(F)(F)F)cc1-c1cc(C(F)(F)F)ccc1OCC(=O)N1CCOCC1,YCSBIVSRVFXEIC-UHFFFAOYSA-N
-rxn:4:184930:225910,CCOc1cc(C(F)(F)F)ccc1-c1cc(C(F)(F)F)ccc1OCC(=O)N1CCOCC1,BXLQNRFQKSPWNS-UHFFFAOYSA-N
-rxn:4:184955:224252,CC1CCCN(C(=O)c2ccc(-c3ccc(OCCCN4CCOCC4)c(Cl)c3)cc2F)C1,PEPUEPBNVAARHB-UHFFFAOYSA-N
-rxn:4:184956:224592,N#CC1(c2ccc(F)c(-c3ccc(OCCCN4CCOCC4)c(F)c3)c2)CCCCC1,PDDVDERZYSGUCK-UHFFFAOYSA-N
-rxn:4:184966:225408,CC(C)(C)N(CC(F)(F)F)S(=O)(=O)c1ccc(-c2cc3c4c(c2)CCCN4CCC3)cc1,YFHUUSLZECJVBT-UHFFFAOYSA-N
-rxn:4:184981:224586,CC1CCN(Cc2ccc(F)cc2-c2ccccc2C(=O)OCCN2CCCCC2)CC1,SDXAUWBMTKANSJ-UHFFFAOYSA-N
-rxn:4:185018:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1ccccc1OCCCN1CCCCC1,UPPIFOZHAPCXIS-UHFFFAOYSA-N
-rxn:4:185018:224008,O=C(c1cc(-c2ccccc2OCCCN2CCCCC2)cc([N+](=O)[O-])c1)N1CCOCC1,BTOQMMNMGPJMSK-UHFFFAOYSA-N
-rxn:4:185030:224591,CC1CCN(Cc2cc(-c3ccc(OCCCN4CCC(F)(F)CC4)cc3)ccc2Cl)CC1,FRTPNUQCNGMZEA-UHFFFAOYSA-N
-rxn:4:185041:224704,CC1CCN(c2cc(-c3ccccc3OCCCN3CCCC(F)(F)C3)cc(F)c2F)CC1,CYXCGWKWNINNRS-UHFFFAOYSA-N
-rxn:4:185044:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2cc(Cl)cc(OC3CN(C(=O)OC(C)(C)C)C3)c2)cc1,FMSCVEZTDQXVAZ-UHFFFAOYSA-N
-rxn:4:185055:223652,COc1ccc(Cl)c2cc(-c3cccc(F)c3OCCCN3CCCC(F)(F)C3)n(C(=O)OC(C)(C)C)c12,SGMSKCSRZFXYEN-UHFFFAOYSA-N
-rxn:4:185079:224729,COc1nccc(-c2ccc(N(C(=O)OC(C)(C)C)C(C)C)cc2)c1C(=O)OC(C)(C)C,RJDJUOWJBQOAIW-UHFFFAOYSA-N
-rxn:4:185105:222989,Cc1cc(N2CCNCC2)ccc1-c1ccccc1C(=O)N1CC(S(=O)(=O)CC(C)C)C1,CEPDKAYOVXJUOZ-UHFFFAOYSA-N
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-rxn:4:188225:223559,COc1ncc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)cc1OC(F)F,XIXCHQVDWFNFCS-UHFFFAOYSA-N
-rxn:4:188489:223822,COC(=O)c1ncc(C(F)(F)F)cc1-c1cc(C(F)(F)F)ccc1C(=O)OCC(C)(C)C,PEGVKMLIMBPIFF-UHFFFAOYSA-N
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-rxn:4:189507:223992,Cc1ccc(-c2cc(C(F)(F)F)cc(S(=O)(=O)N3CCC3)c2)cc1S(=O)(=O)N1CCN(C)CC1,VKZLQQZTKJLZEC-UHFFFAOYSA-N
-rxn:4:189507:223998,CC1CCN(S(=O)(=O)c2ccc(-c3cc(C(F)(F)F)cc(S(=O)(=O)N4CCC4)c3)cc2F)CC1,PQQFJEANWUJUBN-UHFFFAOYSA-N
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-rxn:4:190412:224420,Cc1cc(CC(=O)N2CCCC(C)C2)ccc1-c1cc2c(cc1C)C(C)(C)CCC2(C)C,HAOKXGOUCXYXOP-UHFFFAOYSA-N
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-rxn:4:190496:225009,Cc1cnc(OC2CCCCC2)c(-c2cc(CN3CCC(C)CC3)cc(C(C)(C)C)c2)c1,VVMFXKPWVNPOQU-UHFFFAOYSA-N
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-rxn:4:190827:224485,CC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2cccc3c2CN(C(=O)OC(C)(C)C)C3=O)c1,ILHKRTPTIKZZCZ-UHFFFAOYSA-N
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-rxn:4:190833:224710,CCCCOc1cc(-c2ccc(Cl)c3c2C(=O)N(C(=O)OC(C)(C)C)C3)cc(C(F)(F)F)c1,SKOBLYDAKYCOCC-UHFFFAOYSA-N
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-rxn:4:190861:222639,C[C@H](NC(=O)OC(C)(C)C)c1ccc(-c2cc3c(cc2F)N(C(=O)OC(C)(C)C)CC3)cc1,JKALSGHCZRZDLS-INIZCTEOSA-N
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-rxn:4:190932:223102,CC(C)(C)NS(=O)(=O)c1sccc1-c1ccc2c(c1)C(=O)CN(C(=O)OC(C)(C)C)C2,RHDKIJAXAXSGBT-UHFFFAOYSA-N
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-rxn:4:191039:222759,Cc1cc(NC(=O)OC(C)(C)C)cc(-c2ccc3c(c2)C(C)(C)CN3C(=O)OC(C)(C)C)c1,ZOMLQOKHOHPMGX-UHFFFAOYSA-N
-rxn:4:191087:225101,CCN(CC)C(=O)c1cc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CCC3(C)C)ccc1Cl,OECOYCRDWLPHIH-UHFFFAOYSA-N
-rxn:4:191089:225557,COC(=O)C1(c2ccc(-c3ccc4c(c3)CN(C(=O)OC(C)(C)C)CC4(C)C)cc2)CC1,BOAPLIJPFWLGSX-UHFFFAOYSA-N
-rxn:4:191091:224158,CC(C)(C)OC(=O)N1Cc2c(-c3ccc4c(ccn4C(=O)OC(C)(C)C)c3)cccc2C(C)(C)C1,PJNBTUCXFXCEOX-UHFFFAOYSA-N
-rxn:4:191097:223899,COc1cc(C(=O)N(C(C)C)C(C)C)ccc1-c1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)OC(C)(C)C,VYEFZWRFUMECAH-UHFFFAOYSA-N
-rxn:4:191118:223491,CC(C)(C)OC(=O)N1CCN(c2cc(-c3ccc4c(c3)C3(CCN(C(=O)OC(C)(C)C)CC3)CC4=O)cc(C(F)(F)F)c2)CC1,KXSKWEGUFONGIZ-UHFFFAOYSA-N
-rxn:4:191122:223891,COc1ccc(S(=O)(=O)N2c3ccc(-c4c(F)ccc5c4ccn5[Si](C)(C)C(C)(C)C)cc3C(C)=CC2(C)C)cc1,GPXXQUKTKNEBNP-UHFFFAOYSA-N
-rxn:4:191124:222812,CC(C)(C)OC(=O)Nc1cc(-c2ccc3c(c2)C2(CC3)CCN(C(=O)OC(C)(C)C)CC2)cnc1Cl,XSUYMCIFSXXLRS-UHFFFAOYSA-N
-rxn:4:191130:223531,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc4c(c3)OC3(CC4)CCN(C(=O)OC(C)(C)C)CC3)cc2Cl)CC1,URGIUCSURSZYDP-UHFFFAOYSA-N
-rxn:4:191171:224075,CC1=CC(C)(C)N2C(=O)C(=O)c3cc(OC(=O)c4ccccc4-c4ccc5ccn([Si](C)(C)C(C)(C)C)c5c4)cc1c32,COYCARFGGSWSQP-UHFFFAOYSA-N
-rxn:4:191173:223641,CCc1cc2c(cc1F)cc(-c1cccc(C(=O)Oc3cc4c5c(c3)C(C)=CC(C)(C)N5C(=O)C4=O)c1)n2C(=O)OC(C)(C)C,AOYDHZCIVDYIMW-UHFFFAOYSA-N
-rxn:4:191173:226062,CC1=CC(C)(C)N2C(=O)C(=O)c3cc(OC(=O)c4cccc(-c5cc(C(C)C)cc(C(C)C)c5)c4)cc1c32,UJKMFRZIBHSYDM-UHFFFAOYSA-N
-rxn:4:191195:227825,CC1C(=O)C(C)(C)N(C(=O)OC(C)(C)C)c2c1cc(-c1cccc(C3CCC3)c1)c1c2CCC1,MPWYVCKHCNTCNO-UHFFFAOYSA-N
-rxn:4:191195:228274,CSc1cc(-c2cc3c(c4c2CCC4)N(C(=O)OC(C)(C)C)C(C)(C)C(=O)C3C)c(F)cc1C,RANZVBGZXPXBBM-UHFFFAOYSA-N
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-rxn:4:191641:223635,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3cnc(F)c(C(F)(F)C(F)(F)F)c3)cc2)CC1,NFSMSECABWDZOX-UHFFFAOYSA-N
-rxn:4:192730:223593,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cc(CN4CC(F)C4)ccc3Cl)cc2Cl)CC1,KVSUVUPEILKOFW-UHFFFAOYSA-N
-rxn:4:192730:223650,CC(C)(C)OC(=O)N1CCN(c2ccccc2-c2cc(CN3CC(F)C3)ccc2Cl)CC1,PKJIIGLAQPIDNV-UHFFFAOYSA-N
-rxn:4:193122:223992,Cc1ccc(-c2cc(C(=O)N3CCCC3)cc(F)c2F)cc1S(=O)(=O)N1CCN(C)CC1,WCJYLDURTROUJW-UHFFFAOYSA-N
-rxn:4:193131:222546,O=C1C=CC(=NS(=O)(=O)c2ccc(-c3ccc(OCCNC4CCCCC4)c(F)c3)cc2)C=C1,GNPNPPWBMYOYOQ-UHFFFAOYSA-N
-rxn:4:193131:222634,O=C1C=CC(=NS(=O)(=O)c2ccc(-c3ccc(OCCNC4CCCC4)c(F)c3)cc2)C=C1,ZTDBEGPTNFCYPC-UHFFFAOYSA-N
-rxn:4:193131:224569,O=C1C=CC(=NS(=O)(=O)c2ccc(-c3cc(F)cc(OCC4CCCCC4)c3)cc2)C=C1,BQZLZLZTYUTLPB-UHFFFAOYSA-N
-rxn:4:193191:223839,COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cccc(S(=O)(=O)N2CCCC2)c1,QMHVXCQWMDOHGV-UHFFFAOYSA-N
-rxn:4:193381:223581,COC(=O)c1cccc2cc(-c3cc(F)cc(CN4C(=O)CCCC4=O)c3)n(C(=O)OC(C)(C)C)c12,HRTLPOYPUMXVKD-UHFFFAOYSA-N
-rxn:4:193386:223994,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1ccc(S(=O)(=O)N2CCSCC2)c(F)c1,UWNGLRXECPRTEM-UHFFFAOYSA-N
-rxn:4:193386:224392,Cc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1ccc(S(=O)(=O)N2CCSCC2)c(F)c1,ZDKOJTHLUYKDRE-UHFFFAOYSA-N
-rxn:4:193603:222522,COc1ccc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2F)cc1S(=O)(=O)N1CCC(O)CC1,HXPHRZOYQXHLIX-UHFFFAOYSA-N
-rxn:4:193751:223577,CC1CCCN(C(=O)c2cc(Cl)ccc2-c2ccc(OC3CCN(C(=O)OC(C)(C)C)CC3)cc2)C1,WONXFIBOWVNFEC-UHFFFAOYSA-N
-rxn:4:193815:223597,CC1CCN(Cc2cc(F)cc(-c3ccc(OCCN4CCC5(CC4)OCCO5)c(Cl)c3)c2)CC1,OLNULZOIJBSZEA-UHFFFAOYSA-N
-rxn:4:193832:224377,Cc1cc(S(=O)(=O)N2CCCC2)c(C)cc1-c1ccc(S(=O)(=O)N2CCN(C)CC2)cc1,HATGPRGMPFIJSZ-UHFFFAOYSA-N
-rxn:4:193839:222537,O=S(=O)(c1cccc(-c2cc(C3CCCC3)nc(C3CCCNC3)c2)c1)N1CCCCCC1,RLJPEEGEVHFCEA-UHFFFAOYSA-N
-rxn:4:193839:224321,CC1CCN(S(=O)(=O)c2cccc(-c3cccc(S(=O)(=O)N4CCCCCC4)c3)c2)CC1,ZWUQCRDFUOYBPG-UHFFFAOYSA-N
-rxn:4:193883:222884,CC1CCCN(S(=O)(=O)c2cc(-c3cc(F)cc(C(=O)NC(C)(C)C)c3)c(F)cc2F)C1,PAGNAGAOFWJMDZ-UHFFFAOYSA-N
-rxn:4:193933:223867,Cc1cc(C(=O)N2CCC(C)CC2)c(F)c(-c2cccc(OCCCN3CCC(C)CC3)c2)c1,YAJJPPPQRUJWQZ-UHFFFAOYSA-N
-rxn:4:193933:224249,Cc1cc(C(=O)N2CCC(C)CC2)c(F)c(-c2cc(C(=O)N3CCCC(C)C3)ccc2F)c1,KUCIONJMBRWGRS-UHFFFAOYSA-N
-rxn:4:193961:223901,Cc1cc(S(=O)(=O)N2CCC(C)CC2)ccc1-c1ccc(OCCN2CCC(C)CC2)c(Cl)c1,XKRXZMOAYWXOKR-UHFFFAOYSA-N
-rxn:4:193980:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cccc(C4SCC(=O)N4C4CCCCC4)c3)ccn2)CC1,RRTBWHCLRCHWOZ-UHFFFAOYSA-N
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-rxn:4:201759:223972,CC1CCCCN1c1ccc(-c2cncc(CC(=O)N3CCC(C(F)(F)F)CC3)c2)c(C(F)(F)F)c1,HVAVCWQVBHBPFB-UHFFFAOYSA-N
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-rxn:4:201996:224718,CC(C)(C)OC(=O)N1CCOC(c2ccnc(-c3ccc(OCCN4CCOCC4)nc3)c2)C1,AOWNNIMZFNUUGH-UHFFFAOYSA-N
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-rxn:4:202069:224751,CC(C)(C)S(=O)(=O)C1CCN(C(=O)c2cncc(-c3ccc(F)c(C(=O)N4CCOCC4)c3)c2)C1,JMARRHSPHYAUFG-UHFFFAOYSA-N
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-rxn:4:202518:225526,CCN(CC)C(=O)c1cccc(-c2nc3c(s2)CN(C(=O)OC(C)(C)C)[C@H]3C(C)C)c1,MPGFPSCDYRQWFO-FQEVSTJZSA-N
-rxn:4:202518:225773,CC(C)OC(=O)c1ccc(F)c(-c2nc3c(s2)CN(C(=O)OC(C)(C)C)[C@H]3C(C)C)c1,BEZZNRKTWOJXLJ-IBGZPJMESA-N
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-rxn:4:202592:224937,CCOC(=O)C1(c2ccc(-c3c(CO[Si](C)(C)C(C)(C)C)nn4c3CCC4)cc2)CC1,FMJFUOOEMWPGNH-UHFFFAOYSA-N
-rxn:4:202653:223652,COc1ccc(Cl)c2cc(-c3cccc4cc(C5CN(C(=O)OC(C)(C)C)CCO5)cn34)n(C(=O)OC(C)(C)C)c12,PLXAUSIPNCQINH-UHFFFAOYSA-N
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-rxn:4:202720:222538,Cc1ccc2ncc(C(=O)N3CCCC3)c(S(=O)(=O)c3ccc(-c4cc(C5CCCC5)nc(C5CCNCC5)c4)cc3)c2c1,XKAMYXPNLGYNEN-UHFFFAOYSA-N
-rxn:4:202720:223489,Cc1ccc2ncc(C(=O)N3CCCC3)c(S(=O)(=O)c3ccc(-c4ccc(S(=O)(=O)N5CCC(O[Si](C)(C)C(C)(C)C)CC5)cc4)cc3)c2c1,CIJUEVGYMVCQMB-UHFFFAOYSA-N
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-rxn:4:203065:222439,CCOC(=O)c1ncc(C)nc1-c1ccc(S(=O)(=O)NC2CCCCC2)cc1C(F)(F)F,ONQUOXWYFGKQCV-UHFFFAOYSA-N
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-rxn:4:203703:224751,O=C(c1cc(-c2cnc(C(=O)N3CCC(C(F)(F)F)CC3)c(Cl)c2)ccc1F)N1CCOCC1,JIFFSZVYPLGBIN-UHFFFAOYSA-N
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-rxn:4:204012:222465,CN(C)C1CCN(S(=O)(=O)c2cccc(-c3cc(C4CCCCC4)nc(C4CCCNC4)c3)c2)CC1,OJWRUSOJNZJMDQ-UHFFFAOYSA-N
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-rxn:4:204014:223935,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3cc4cccc(F)c4n3C(=O)OC(C)(C)C)c2)CC1,GRQSCPDAJRNQKR-UHFFFAOYSA-N
-rxn:4:204016:225205,Cc1cc(C(F)(F)F)c(C2CC2)cc1-c1cncc(CC2CCCN(S(C)(=O)=O)CC2)c1,SDAFDXGYYICKLL-UHFFFAOYSA-N
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-rxn:4:204115:223064,O=S(=O)(c1ccccc1-c1ccc(C2CCNCC2)nc1F)N1CCCN(C2CCC2)CC1,UGOURDYHMNIWMT-UHFFFAOYSA-N
-rxn:4:204115:223138,O=S(=O)(c1ccccc1-c1ccnc(C2CCNCC2)c1)N1CCCN(C2CCC2)CC1,LDLOBNGVCWYNBK-UHFFFAOYSA-N
-rxn:4:204115:223834,Cc1cc(-c2ccccc2S(=O)(=O)N2CCCN(C3CCC3)CC2)cc(C)c1S(=O)(=O)N1CCN(C)CC1,ADHCVTVUIKUVNQ-UHFFFAOYSA-N
-rxn:4:204126:223831,COc1ccc(-c2ccc(S(=O)(=O)N3CCN(c4cccc(Cl)c4C)CC3)cc2)cc1S(=O)(=O)N1CCC(C)CC1,MSJMVZOXWLSZAP-UHFFFAOYSA-N
-rxn:4:204158:224327,Cc1ccc(N2CCN(S(=O)(=O)c3cc(C)c(-c4cccc(S(=O)(=O)N5CCCC(C)C5)c4)cc3Cl)CC2)cc1,WMQIOBPZHIGJQG-UHFFFAOYSA-N
-rxn:4:204179:224198,CCN1CCN(Cc2ccc(-c3cc(C)c(S(=O)(=O)N4CCN(c5ccc(C)c(C)c5)CC4)cc3C)c(F)c2)CC1,HAPLVAYIPVAOGE-UHFFFAOYSA-N
-rxn:4:204180:222622,CCC(C)c1cc(-c2cc(S(=O)(=O)N3CCN(c4ccc(C)cc4C)CC3)c(C)cc2C)cc(C2CCCNC2)n1,DDYMSQRKVLOYOZ-UHFFFAOYSA-N
-rxn:4:204253:223534,CCOC(=O)c1cc2cccc(-c3cc(OC4CCN(C(=O)OC(C)(C)C)CC4)ncc3F)n2n1,KOCJAZAXAAHCDF-UHFFFAOYSA-N
-rxn:4:204330:223492,COCCn1ncc2cc(-c3ccc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c(C)c3)ccc21,QKJMFTNXQBXPTP-UHFFFAOYSA-N
-rxn:4:204353:223981,CCOC(=O)c1nn2c(c1-c1ccc(S(=O)(=O)N3CCN(CC)CC3)cc1)COCC2,CIVDGBCUTDNOBF-UHFFFAOYSA-N
-rxn:4:204496:222945,CC(C)NS(=O)(=O)c1ccc(-c2nc3c(s2)C(=O)CN(C(=O)OC(C)(C)C)C3)cc1F,YYLPLZYNCHDCMZ-UHFFFAOYSA-N
-rxn:4:204510:224368,CN(C(=O)OC(C)(C)C)c1cc(-c2ccc3c(n2)CN(C(=O)OC(C)(C)C)C3)cnc1Cl,PFBBFNDYLGCRSS-UHFFFAOYSA-N
-rxn:4:204511:223562,CC(C)(C)OC(=O)N1CCC(Cc2ccc(-c3ccc4c(n3)CCN4C(=O)OC(C)(C)C)cc2)CC1,UIQZLDWHRLMZPI-UHFFFAOYSA-N
-rxn:4:204512:224411,CN(C)S(=O)(=O)c1ccc(-c2ccnc3c2CN(C(=O)OC(C)(C)C)C3)c(C(F)(F)F)c1,WXCJKXUWMFLKFL-UHFFFAOYSA-N
-rxn:4:204513:223534,CC(C)(C)OC(=O)N1CCC(Oc2cc(-c3cnc4c(c3)CCN4C(=O)OC(C)(C)C)c(F)cn2)CC1,RPKVAYGAGVUORT-UHFFFAOYSA-N
-rxn:4:204513:223588,Cc1cc(-c2cnc3c(c2)CCN3C(=O)OC(C)(C)C)cnc1N1CCN(C(=O)OC(C)(C)C)CC1,CNLIICHWYGWQIT-UHFFFAOYSA-N
-rxn:4:204513:223648,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc4c(c3)CCN4C(=O)OC(C)(C)C)cc2)CC1,NQXHMTBGFPFCND-UHFFFAOYSA-N
-rxn:4:204513:224160,CC(C)(C)OC(=O)N1CCc2cc(-c3cnc4c(c3)CCN4C(=O)OC(C)(C)C)ccc21,CBWPALUWURUAHG-UHFFFAOYSA-N
-rxn:4:204514:223660,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cnc4c(c3)CN(C(=O)OC(C)(C)C)C4)s2)CC1,SFILXYINYPUHCK-UHFFFAOYSA-N
-rxn:4:204557:222810,CC(C)(C)OC(=O)Nc1cc(-c2cnc3c(c2)OCCN3C(=O)OC(C)(C)C)c(Cl)cn1,NTZZVLMUOXZHPW-UHFFFAOYSA-N
-rxn:4:204572:224484,CC(C)N(C(=O)c1ccccc1-c1ccc2n1CCN(C(=O)OC(C)(C)C)C2)C(C)C,WWEVSOJXBWNQMS-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:4:204681:224128,CN(C(=O)c1ccc(-c2ccc3c(n2)N(C(=O)OC(C)(C)C)CC3(C)C)cc1)C1CCCCC1,QVMKWVFSZXDLRL-UHFFFAOYSA-N
-rxn:4:204700:223951,CN1CCN(CCOc2ccc(-c3ccc(C(=O)N4CC(N5C(=O)C6CC=CCC6C5=O)C4)o3)cc2F)CC1,DWMZOVCWYHXOAZ-UHFFFAOYSA-N
-rxn:4:204700:226298,O=C(c1ccc(-c2ccc(F)cc2OCC2CC2)o1)N1CC(N2C(=O)C3CC=CCC3C2=O)C1,PAGZCHKIZOFKOQ-UHFFFAOYSA-N
-rxn:4:204723:226777,Cc1cc(-c2ccc(N3C(=NC(=O)C(C)C)SC4CS(=O)(=O)CC43)cc2)cc(OC(F)F)c1F,HECZZURJDCIXGZ-UHFFFAOYSA-N
-rxn:4:204740:222813,CCN1C(=O)C(=C2SC(=S)N(CC(C)C)C2=O)c2cc(-c3cnc(NC(=O)OC(C)(C)C)c(Cl)c3)ccc21,KBIPCGIMZGRPNC-UHFFFAOYSA-N
-rxn:4:204740:223106,CCN1C(=O)C(=C2SC(=S)N(CC(C)C)C2=O)c2cc(-c3cnc(N4CCC(O)C4)nc3Cl)ccc21,MNIKCAQWBFVLRK-UHFFFAOYSA-N
-rxn:4:204764:228230,O=C1C2CC=CCC2C(=O)N1C1CN(S(=O)(=O)c2ccc(-c3cnc(C4CC4)c(Cl)c3)cc2)C1,YCWDJHOADGINRN-UHFFFAOYSA-N
-rxn:4:205885:223649,CC(C)(C)OC(=O)N1CCN(c2cccc(-c3ncc(C(=O)N4CCOCC4)s3)c2)CC1,HBKBZZFYKACNAP-UHFFFAOYSA-N
-rxn:4:205957:223589,Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1ccc(N2CC(F)(F)C2)c([N+](=O)[O-])c1,KVULYGHLYRTCJR-UHFFFAOYSA-N
-rxn:4:206419:223832,COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1-c1ccc(S(=O)(=O)N2CCCC2)nc1,NUMXQGQSBHIKLM-UHFFFAOYSA-N
-rxn:4:206441:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3nc(C(=O)N4CCOCC4)ccc3F)ccn2)CC1,DWMMCBKWBMYJJI-UHFFFAOYSA-N
-rxn:4:206442:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cc(C(=O)N4CCOCC4)c(F)cn3)ccn2)CC1,OPLMDCTYNBGYDB-UHFFFAOYSA-N
-rxn:4:206454:223679,CCN1CCN(S(=O)(=O)c2c(C)cc(-c3cccc(N4CCC(F)(F)C4)c3[N+](=O)[O-])cc2C)CC1,CWLMJQJVOGNJCY-UHFFFAOYSA-N
-rxn:4:206502:223670,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2cnc(F)c(CN3CCOCC3)c2)CC1,RYPPRCQPPOXENU-UHFFFAOYSA-N
-rxn:4:206709:223542,CN1CCN(S(=O)(=O)c2cc(-c3ccc(S(=O)(=O)N4CCCCC4)nc3)ccc2OC(F)(F)F)CC1,DDBROJKUZGRELM-UHFFFAOYSA-N
-rxn:4:206870:223945,CN1CCN(C(=O)c2ccc(-c3ccc(OCCCN4CCOCC4)c(F)c3)cc2F)CC1,PINYSCBEMTWZOE-UHFFFAOYSA-N
-rxn:4:206945:222699,Cc1nc(C2CCCN(S(C)(=O)=O)C2)sc1-c1ccc(C2CCCNC2)c(C(F)(F)F)c1,DGOSOIPGBVILTC-UHFFFAOYSA-N
-rxn:4:206976:223886,CN1CCN(S(=O)(=O)c2ccc(F)c(-c3cccc4c3CCN(C(=O)OC(C)(C)C)C4)c2)CC1,WRFZDMROIUSMFR-UHFFFAOYSA-N
-rxn:4:207064:223834,Cc1cc(-c2cc(C)c(S(=O)(=O)N3CCN(C)CC3)c(C)c2)c(S(=O)(=O)N2CCN(C)CC2)cc1Cl,MHIJJMBCPMZAIV-UHFFFAOYSA-N
-rxn:4:207070:223831,COc1ccc(-c2cc(C3CC3)cc(N3CCN(C)CC3)c2)cc1S(=O)(=O)N1CCC(C)CC1,UFBNYZCSHAWVTB-UHFFFAOYSA-N
-rxn:4:207073:223540,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1ccc(N2CCN(C)CC2)cc1C1CC1,GHBMIQVSYGCQIY-UHFFFAOYSA-N
-rxn:4:207081:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cncc(C(=O)N4CC5(COC(C)(C)OC5)C4)c3)c2Cl)CC1,CYIKJRNXXNNIDI-UHFFFAOYSA-N
-rxn:4:207182:223491,COC(=O)c1c[nH]c2cnc(-c3cc(N4CCN(C(=O)OC(C)(C)C)CC4)cc(C(F)(F)F)c3)cc12,FEUVGNNSQVNCNJ-UHFFFAOYSA-N
-rxn:4:207747:223994,CC(=O)N=C1SC2CS(=O)(=O)CC2N1c1ccc(-c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2C)cc1,MXJABRYHDFHSFW-UHFFFAOYSA-N
-rxn:4:207747:225210,CC(=O)N=C1SC2CS(=O)(=O)CC2N1c1ccc(-c2cnc(N3CCC(C)CC3)nc2C)cc1,ZMHOGXZAFIHPFT-UHFFFAOYSA-N
-rxn:4:207890:225258,CCOC(=O)COc1cc(Cl)cc(-c2cnn(CC34CC5CC(CC(C5)C3)C4)c2C)c1,YGJNOXDCQXOJRC-UHFFFAOYSA-N
-rxn:4:207959:224163,Cc1ccc(C2=NN3C(C2)c2cc(-c4ccc5c(cnn5C5CCCCO5)c4C)ccc2OC3C2CCCCC2)cc1,GZTKGDKIVMOVGY-UHFFFAOYSA-N
-rxn:4:207959:224165,Cc1ccc(C2=NN3C(C2)c2cc(-c4c(C)ccc5c4cnn5C4CCCCO4)ccc2OC3C2CCCCC2)cc1,BGDRRTZRTSDTEB-UHFFFAOYSA-N
-rxn:4:209561:223591,CC(C)(C)OC(=O)N1CCN(c2ccc(F)c(-c3ccc(N4CCOCC4=O)nc3)c2)CC1,FSHSAEXFCNXNDX-UHFFFAOYSA-N
-rxn:4:209683:223506,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cccc(-c3ccnc(N4CCCCC4=O)c3)c2)CC1,SMZXNMSXHPKWHH-UHFFFAOYSA-N
-rxn:4:209831:223671,CC1CCCCN1c1cc(-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)ccn1,GEEFAUDVEHTSFY-UHFFFAOYSA-N
-rxn:4:210681:222465,C1=C(c2ccc(-c3cc(C4CCCCC4)nc(C4CCCNC4)c3)cc2)N2CCN=C2S1,TVOVILYDJJTNRM-UHFFFAOYSA-N
-rxn:4:210681:223593,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc(C4=CSC5=NCCN45)cc3)cc2Cl)CC1,RPYXAFSVIBEEHI-UHFFFAOYSA-N
-rxn:4:211089:222441,CC(C)(C)c1ccc(NC(=O)c2ccc(-c3ccc4c(c3)N3CCCCCC3=C(C#N)S4(=O)=O)cc2)cc1,ZRELXEXEHBRZSF-UHFFFAOYSA-N
-rxn:4:212526:225223,CC1CCN(c2cc(F)c(-c3cc([N+](=O)[O-])ccc3OCCN3CCC(C#N)CC3)cn2)CC1,RJGREQUNHWFNRA-UHFFFAOYSA-N
-rxn:4:212541:223596,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)ccc2-c2cncc(OCC3CN(C(=O)OC(C)(C)C)C3)n2)CC1,LIPOVSONBCLOSB-UHFFFAOYSA-N
-rxn:4:212542:224686,CCOCC(=O)N1CCCC(Oc2ncc(-c3ccc(C(=O)N4CCCCC4)cc3F)cn2)C1,BUTQRQPBXLOKGS-UHFFFAOYSA-N
-rxn:4:212542:225908,CCOCC(=O)N1CCCC(Oc2ncc(-c3cc(C(F)(F)F)ccc3OCC)cn2)C1,BTGIPKJYSXZHRJ-UHFFFAOYSA-N
-rxn:4:212547:224759,CCOCCN1CCC(Oc2ncc(-c3cc(F)cc(C(=O)N4CCOCC4)c3)cn2)CC1,UJECPMQPTOIWOZ-UHFFFAOYSA-N
-rxn:4:212587:224820,CCOc1ccc(S(=O)(=O)N2CC(Cn3cc(-c4cccc(S(=O)(=O)N5CCOCC5)c4)cn3)C2)cc1,AWYNMUGWEDYPMB-UHFFFAOYSA-N
-rxn:4:212592:225232,CC1CCN(c2cc(-c3cccc(CCCC4(C(=O)N(C)C)CCN4C)n3)cnc2Cl)CC1,NGFCLSYCULSPJL-UHFFFAOYSA-N
-rxn:4:212599:224672,CCSc1ccccc1C(=O)N1CCC(Oc2ncc(-c3ccc(N4CCN(CC)CC4)cc3Cl)cn2)C1,WBAIZEGIGCBDGT-UHFFFAOYSA-N
-rxn:4:212607:224395,CCC(CC)C(=O)N1CCC(Oc2ncc(-c3cc(N4CCOCC4)cc(C(F)(F)F)c3)cn2)CC1,RCQQUMWSLJPFAH-UHFFFAOYSA-N
-rxn:4:212607:224552,CCC(CC)C(=O)N1CCC(Oc2ncc(-c3cc(F)cc(COC4CCCCC4)c3)cn2)CC1,RLHQKRNVHRYQNE-UHFFFAOYSA-N
-rxn:4:212622:223812,O=C(Cc1ccc(F)cc1)N1CCCC(COc2ncc(-c3cc(F)cc(CN4CCC5(CC4)OCCO5)c3)cn2)C1,UGBZFHFVMDOADG-UHFFFAOYSA-N
-rxn:4:212622:224775,O=C(Cc1ccc(F)cc1)N1CCCC(COc2ncc(-c3cnc(C(F)(F)F)c(C4CCCC4)c3)cn2)C1,RGPLRGOMNZAWHH-UHFFFAOYSA-N
-rxn:4:212630:223761,CC(C)(C)OC(=O)N1CCCC1c1ccc(-c2cncc(C(=O)N3CCCC(COc4ncccc4C(F)(F)F)C3)c2)cc1,KORMMDWBGHOPHW-UHFFFAOYSA-N
-rxn:4:212649:225875,CCC(C)(C)C(=O)N1CCCC(COc2ncc(-c3ccc(N4CCOCC4)cc3Cl)cn2)C1,ALJOJTGUKVSLQP-UHFFFAOYSA-N
-rxn:4:212659:224759,CCOc1ccc(CN2CCC(Oc3ncc(-c4cc(F)cc(C(=O)N5CCOCC5)c4)cn3)CC2)cc1,JCTQWOWIONNDJY-UHFFFAOYSA-N
-rxn:4:212680:223692,Cc1ccc(OCC2CCN(C(=O)Cc3ccc(F)cc3-c3cc(OCc4cccnc4)c(Cl)cc3C(F)(F)F)CC2)nn1,CQAWANCMEUOAGW-UHFFFAOYSA-N
-rxn:4:212680:224680,Cc1ccc(OCC2CCN(C(=O)Cc3ccc(F)cc3-c3cc(C(=O)N4CCCCC4)ccc3F)CC2)nn1,KUJQYQFTNSURMT-UHFFFAOYSA-N
-rxn:4:212736:226817,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cc(-c4ccnc(Cl)n4)cs3)cc2N2CCCC2)CC1,IRCVKTLGJQQPBP-UHFFFAOYSA-N
-rxn:4:212738:223591,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cc(N4CCN(C(=O)OC(C)(C)C)CC4)ccc3F)cc2N2CCOCC2)CC1,XKDSJSRVPGFXEU-UHFFFAOYSA-N
-rxn:4:212739:225758,CC(C)(C)OC(=O)c1cnccc1-c1ccc(CN2CCN(C(=O)OC(C)(C)C)CC2)c(N2CCCCC2)c1,PGPDJRXCHBMIIP-UHFFFAOYSA-N
-rxn:4:212816:224374,COc1ccc(S(=O)(=O)N2CCCC2)cc1-c1ccc(S(=O)(=O)N2CCN(C(=O)CCc3c[nH]c4ccccc34)CC2)cc1,GDPFUCALWBDQCP-UHFFFAOYSA-N
-rxn:4:212839:222848,CCc1cc(-c2ccn3c(C(C)N4CCN(CC)CC4)c(C)c(C(=O)OC(C)C)cc23)cc(C2CCCNC2)n1,GHRZXGPOQFXUKM-UHFFFAOYSA-N
-rxn:4:212878:224408,COC(=O)c1nnn(-c2ccc(-c3cc(C(F)(F)F)nn3C(=O)OC(C)(C)C)cc2F)c1C(=O)OC,DUYSFINWCRNRDK-UHFFFAOYSA-N
-rxn:4:212892:222584,CC(C)(C)OC(=O)N(c1ncc(-c2ccc(OCCCN3CCNCC3)c(F)c2)cn1)C1CC1,CXJJIJWLHILZEG-UHFFFAOYSA-N
-rxn:4:212903:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2cnn(C)c2CN(C)C(=O)OC(C)(C)C)cc1,MHJFFJNEPWSMFB-UHFFFAOYSA-N
-rxn:4:212905:222809,CC(C)(C)OC(=O)Nc1cnc(Cl)cc1-c1ccnc(OC2CN(C(=O)OC(C)(C)C)C2)n1,QDDLQVZLXHMGEZ-UHFFFAOYSA-N
-rxn:4:212908:222634,CCOC(=O)N1CCCC(Oc2ncc(-c3ccc(OCCNC4CCCC4)c(F)c3)cn2)C1,WEWANLVTAAHKEN-UHFFFAOYSA-N
-rxn:4:212908:225126,CCOC(=O)N1CCCC(Oc2ncc(-c3cc(F)ccc3OCC3CCCO3)cn2)C1,FFPJLKHHKBPWIS-UHFFFAOYSA-N
-rxn:4:212927:223699,N#Cc1nc(COc2ccc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3C(F)(F)F)cc2)oc1N1CCOCC1,LZJZWVONQZLHSH-UHFFFAOYSA-N
-rxn:4:212980:223945,O=C(c1cncc(-c2ccc(OCCCN3CCOCC3)c(F)c2)c1)N1CCC(COc2ccc(F)cn2)C1,ARNMKQFXMAHWBU-UHFFFAOYSA-N
-rxn:4:212989:224710,CCCCOc1cc(-c2ncc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)s2)cc(C(F)(F)F)c1,CTZZTBCQJXURNG-UHFFFAOYSA-N
-rxn:4:213010:224290,CC(C)(C)OC(=O)N1CCO[C@H](Cn2cc(-c3ccc(Cl)cc3OCCN3CCOCC3)cn2)C1,HEKMFFSIJGFEES-NRFANRHFSA-N
-rxn:4:213041:223529,CC(C)(C)OC(=O)N1CCC(Oc2cnc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)c(F)c3)cn2)CC1,KWDLTPSCNWEZIY-UHFFFAOYSA-N
-rxn:4:213041:226848,COc1ccc(-c2cnc(OC3CCN(C(=O)OC(C)(C)C)CC3)cn2)c(C(F)(F)F)n1,SZJGNGITXOGBPY-UHFFFAOYSA-N
-rxn:4:213048:223699,COc1ccc(S(=O)(=O)N2CC(Cn3cc(-c4ccc(S(=O)(=O)N5CCOCC5)cc4C(F)(F)F)cn3)C2)cc1C,WSTLFRRJVQZHKZ-UHFFFAOYSA-N
-rxn:4:213053:227464,CCCCSc1ncc(-c2cnc(OCC3CCCN(C(=O)C4CC(F)(F)C4)C3)nc2)cn1,YTEUKIHHVWXGGN-UHFFFAOYSA-N
-rxn:4:213076:223977,CC(C)N(C(C)C)S(=O)(=O)c1ccc(-n2cc(-c3cc(C(F)(F)F)ccc3C(=O)OC(C)(C)C)cn2)cc1,ZBMXSWGLSUVVLW-UHFFFAOYSA-N
-rxn:4:213095:223685,CC(C)(C)OC(=O)N1CCN(c2ccc(C#N)cc2-c2ccc(OC(F)(F)F)c(OCc3cccnc3)c2)CC1,HTVRPRJPIRESTH-UHFFFAOYSA-N
-rxn:4:213096:223941,CC(C)(C)OC(=O)N1CCN(c2cc(-c3ccc4c(c3)CC(=O)N4C(=O)OC(C)(C)C)ccc2C#N)CC1,ZPALATZNCZKLHH-UHFFFAOYSA-N
-rxn:4:213097:224271,CC(C)(C)OC(=O)N1CCC(C#N)(c2ccc(-c3cc4cccnc4n3C(=O)OC(C)(C)C)cn2)CC1,RZYLMODNTIAEJY-UHFFFAOYSA-N
-rxn:4:213100:225975,CC(C)(C)OC(=O)N1CCC(n2cc(-c3ccnc(N4CCOCC4)c3Cl)c(C(F)(F)F)n2)CC1,VHTHQOGFQXRNKN-UHFFFAOYSA-N
-rxn:4:213112:224634,COc1ccc(-c2ccccc2S(=O)(=O)N2CCC(COc3ccc(C)nn3)C2)cc1CN1CCOCC1,KZXMWRPKKMNTAL-UHFFFAOYSA-N
-rxn:4:213131:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnc(OCC4CCN(C(=O)C(C)(C)C)CC4)nc3)c(F)c2)CC1,LCXCAQVOHWAOTQ-ALOJWSFFSA-N
-rxn:4:213131:225898,CC(C)(C)C(=O)N1CCC(COc2ncc(-c3cnn(CCN4CCOCC4)c3)cn2)CC1,ORNVGBVOBJWTST-UHFFFAOYSA-N
-rxn:4:213131:226231,CCCCOc1ncc(-c2cnc(OCC3CCN(C(=O)C(C)(C)C)CC3)nc2)cc1C,WRTNCUYVJSUFMR-UHFFFAOYSA-N
-rxn:4:213132:222634,CC(C)(C)C(=O)N1CCCC(COc2ncc(-c3ccc(OCCNC4CCCC4)c(F)c3)cn2)C1,VYWIUWBHAIBMQD-UHFFFAOYSA-N
-rxn:4:213132:223787,CN1CCN(CCCOc2ccc(-c3cnc(OCC4CCCN(C(=O)C(C)(C)C)C4)nc3)cc2F)CC1,YQDUDMRUKVYDCG-UHFFFAOYSA-N
-rxn:4:213132:226249,CCCCOc1cc(Cl)cc(-c2cnc(OCC3CCCN(C(=O)C(C)(C)C)C3)nc2)c1,NKUINTRBKWCTSV-UHFFFAOYSA-N
-rxn:4:213134:222634,CCC(C)(C)C(=O)N1CCC(Oc2ncc(-c3ccc(OCCNC4CCCC4)c(F)c3)cn2)CC1,YAQPKDUWASNOLL-UHFFFAOYSA-N
-rxn:4:213134:223812,CCC(C)(C)C(=O)N1CCC(Oc2ncc(-c3cc(F)cc(CN4CCC5(CC4)OCCO5)c3)cn2)CC1,YEVQQOSKYISERW-UHFFFAOYSA-N
-rxn:4:213134:225770,CCC(C)(C)C(=O)N1CCC(Oc2ncc(-c3c(F)cc(OCC4CC4)cc3F)cn2)CC1,FBQCOWXCIOFXJC-UHFFFAOYSA-N
-rxn:4:213141:224270,CC(C)(C)OC(=O)N1CCN(c2ccc([N+](=O)[O-])c(-c3cn(C(=O)OC(C)(C)C)c4ncccc34)c2)CC1,IAURVHTVTBHCAW-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:4:213150:222997,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(-c3ccc(Cl)cc3C3CCCNC3)cn2)CC1,YBSQKNHJPGKMAD-UHFFFAOYSA-N
-rxn:4:213150:223913,COc1ccc(Cl)cc1COc1ccccc1-c1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)nc1,RPRHCZQRUCNMKX-UHFFFAOYSA-N
-rxn:4:213180:224061,CCCC1CCC(c2ccc(-c3cnc(OCC4CCN(C(=O)c5cc(C)oc5C)CC4)nc3)c(F)c2)CC1,UAEFBGONSUIJGT-UHFFFAOYSA-N
-rxn:4:213195:225172,O=C(C1CCOCC1)N1CCC(COc2ncc(-c3cc(CN4CCOCC4)ccc3F)cn2)CC1,LAYFDXKOTPNUQP-UHFFFAOYSA-N
-rxn:4:213218:223528,C[C@H]1CN(Cc2ccc(-c3ccc(F)c(CN4CCN(C(=O)OC(C)(C)C)CC4)c3)cn2)CCN1C(=O)OC(C)(C)C,NNDNDFANCQINIT-QHCPKHFHSA-N
-rxn:4:213222:224718,CC(C)(C)c1csc(CN2CCN(C(=O)c3ccc(-c4ccc(OCCN5CCOCC5)nc4)o3)CC2)n1,AEMRGASSEKUEKH-UHFFFAOYSA-N
-rxn:4:213222:225984,CC(C)(C)c1csc(CN2CCN(C(=O)c3ccc(-c4cnc(Cl)c(N5CCOCC5)c4)o3)CC2)n1,CYQHYIBPUMIPGS-UHFFFAOYSA-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:4:213273:223064,O=C(c1ccc(N2CCOCC2)cc1)N1CCC(Oc2ccncc2-c2ccc(C3CCNCC3)nc2F)C1,BDLYCWJQZHAVBY-UHFFFAOYSA-N
-rxn:4:213273:224597,O=C(c1ccc(N2CCOCC2)cc1)N1CCC(Oc2ccncc2-c2cc(C3CC3)cc(N3CCOCC3)c2)C1,QJNIGAUNVAZASN-UHFFFAOYSA-N
-rxn:4:213320:225657,COC(=O)c1nc(-c2ccc(N3CCOCC3)c(C)c2)n2c1CN(C(=O)OC(C)(C)C)CC2,UXQUDFOLSXEGCT-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:4:213488:223505,COC(=O)CCc1nc(-c2ccc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cc2)n[nH]1,QSVAICIWBCZOMZ-UHFFFAOYSA-N
-rxn:4:213488:223659,COC(=O)CCc1nc(-c2cnn(CC3CCN(C(=O)OC(C)(C)C)CC3)c2)n[nH]1,FFPVSQNHWNPTQX-UHFFFAOYSA-N
-rxn:4:213581:223595,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(OCCN4CCOCC4)nc3)cc2F)CC1,JQGFCFPIFVQTAF-UHFFFAOYSA-N
-rxn:4:213693:223671,CC(C(=O)N1CCCC(C(F)(F)F)C1)n1cc(-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)cn1,VNKUNUIPWBCDDC-UHFFFAOYSA-N
-rxn:4:213693:225898,CC(C(=O)N1CCCC(C(F)(F)F)C1)n1cc(-c2cnn(CCN3CCOCC3)c2)cn1,AWAAKSHJRBHCNN-UHFFFAOYSA-N
-rxn:4:213759:225105,CCN(CC)C(=O)c1ccc(-c2cnc(C3CCCN3C(=O)OC(C)(C)C)cn2)cc1F,UTZYOYVHDKMCED-UHFFFAOYSA-N
-rxn:4:213765:222947,CC(C)(C)OC(=O)N1CCC(c2cncc(-c3cnc(N4CCCC(O)C4)nc3Cl)n2)C1,JKCINYJZEFAMLY-UHFFFAOYSA-N
-rxn:4:213765:223528,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3cncc(C4CCN(C(=O)OC(C)(C)C)C4)n3)ccc2F)CC1,UUAKGYFWJLDKGI-UHFFFAOYSA-N
-rxn:4:213777:222699,CCOC(=O)c1nc(N2CCN(C)CC2)ccc1-c1ccc(C2CCCNC2)c(C(F)(F)F)c1,RVZDDXANKBMVTM-UHFFFAOYSA-N
-rxn:4:213778:224394,CCN1CCN(c2ccc(-c3ccc(C)c(S(=O)(=O)N4CCOCC4)c3)c(C(=O)OC)n2)CC1,OXAPIGOPXAAPHA-UHFFFAOYSA-N
-rxn:4:213778:224396,CCN1CCN(c2ccc(-c3ccc(S(=O)(=O)N4CCOCC4)c(C)c3)c(C(=O)OC)n2)CC1,JTGWXBUJNNBAOA-UHFFFAOYSA-N
-rxn:4:213798:222584,CC(C)(C)OC(=O)N1CCOC(c2cnc(-c3ccc(OCCCN4CCNCC4)c(F)c3)cn2)C1,GBDIXGRABWUDRZ-UHFFFAOYSA-N
-rxn:4:213799:223945,CC(C)(C)OC(=O)N1CCOC(c2cc(-c3ccc(OCCCN4CCOCC4)c(F)c3)ncn2)C1,XCJMPQZHAIBASD-UHFFFAOYSA-N
-rxn:4:213803:225977,CC(C)(C)OC(=O)N1CCOCC1c1ncc(-c2cc(Cl)cnc2N2CCOCC2)cn1,RZLWVZQJYJXMOT-UHFFFAOYSA-N
-rxn:4:213805:225803,CC(C)(C)OC(=O)N1CCOC(c2ncc(-c3ccnc(OC4CCOCC4)c3)cn2)C1,DQCDHGDQQLECDG-UHFFFAOYSA-N
-rxn:4:213816:223644,CCOC(=O)C1CCCN(C(=O)c2ccc(-c3cccc(C(=O)N4CCCC(Oc5ncccn5)C4)c3)cc2)C1,MJJJOBUTWQEACH-UHFFFAOYSA-N
-rxn:4:213843:223673,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cccc(COc4cc(C(F)(F)F)ccc4Cl)c3)ccn2)C(=O)C1,GJMISNQSGVGYLC-UHFFFAOYSA-N
-rxn:4:213893:222546,CC(C)(C)OC(=O)N1CCN(c2cncc(-c3ccc(OCCNC4CCCCC4)c(F)c3)c2)CC1,IKEMQHIBQPQYAN-UHFFFAOYSA-N
-rxn:4:213944:223528,CC1CN(C(=O)OC(C)(C)C)CCC1c1ncc(-c2ccc(F)c(CN3CCN(C(=O)OC(C)(C)C)CC3)c2)[nH]1,JBDHBGKJVTZMOA-UHFFFAOYSA-N
-rxn:4:213944:223748,CC1CN(C(=O)OC(C)(C)C)CCC1c1ncc(-c2cc(N3CCCCC3)cc(N3CCCCC3)c2)[nH]1,ZPSSKSZYLTXQBG-UHFFFAOYSA-N
-rxn:4:213944:225561,CC1CN(C(=O)OC(C)(C)C)CCC1c1ncc(-c2ccccc2C(=O)OC(C)(C)C)[nH]1,BJOKOKHMFUEZRU-UHFFFAOYSA-N
-rxn:4:213963:223945,Cc1cnc(OC2CCN(Cc3ccc(F)c(-c4ccc(OCCCN5CCOCC5)c(F)c4)c3)CC2)nc1,JONOSASFAWCSKC-UHFFFAOYSA-N
-rxn:4:213972:226981,CCCCCCc1ccsc1-c1cnc(N2CCOC(C(=O)N3CCOCC3)C2)c(C(F)(F)F)c1,OFTLPCZPEBNFIH-UHFFFAOYSA-N
-rxn:4:213980:226715,CC1CN(C(=O)OC(C)(C)C)CCC1c1nccc(-c2cnn(C(=O)OC(C)(C)C)c2)n1,MIIMZEXNDOTWKO-UHFFFAOYSA-N
-rxn:4:213985:223790,Cc1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)c(-c2cncc(C3CCCN3C(=O)OC(C)(C)C)c2)c1,YNWUPZVKHIIAJM-UHFFFAOYSA-N
-rxn:4:213985:226021,Cc1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)c(-c2cc(Cl)ccc2OCC(F)(F)F)c1,FNZLWVGNWSRMHU-UHFFFAOYSA-N
-rxn:4:213990:223590,Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1-c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1C,UAWUETPTTKTCEF-UHFFFAOYSA-N
-rxn:4:214014:225938,O=C(c1cncc(-c2cc(C(F)(F)F)ncc2C2CC2)c1)N1CCCSCC1CN1CCCC1,HCUKCJZEMWKSST-UHFFFAOYSA-N
-rxn:4:214027:227480,CCCOc1nccc(-c2cnc(N3CCCC(C(=O)N4CCOCC4)C3)c(C(F)(F)F)c2)c1Cl,KTZNGIOWNGJGBU-UHFFFAOYSA-N
-rxn:4:214050:223080,CC(C)NS(=O)(=O)c1ccc(-c2cnc(N3C[C@H](C)N(C(=O)OC(C)(C)C)C[C@H]3C)c(F)c2)cc1,FFUIXPAMEYQJRK-MSOLQXFVSA-N
-rxn:4:214065:223784,CCN1CCN(CCOc2ccc(-c3ccc(C(=O)n4nc(C)c(S(=O)(=O)N5CCC(C)CC5)c4C)cc3)cc2F)CC1,MZODSOKMOWBGNN-UHFFFAOYSA-N
-rxn:4:214065:226526,COC(=O)c1ccc(OC)c(-c2ccc(C(=O)n3nc(C)c(S(=O)(=O)N4CCC(C)CC4)c3C)cc2)c1,MEAQTMDPJPOFHO-UHFFFAOYSA-N
-rxn:4:214065:226597,Cc1nn(C(=O)c2ccc(-c3cc(F)c(OC(C)C)c(F)c3)cc2)c(C)c1S(=O)(=O)N1CCC(C)CC1,SZABANQGKRGUAQ-UHFFFAOYSA-N
-rxn:4:214069:223493,Cc1ccc(S(=O)(=O)N2CCCC(c3nc(-c4ccc(-c5cc(S(=O)(=O)N6CCN(C(=O)OC(C)(C)C)CC6)ccc5C)cc4)no3)C2)cc1,ZZYGAUGDCVSIHJ-UHFFFAOYSA-N
-rxn:4:214168:223812,O=C(c1ccc2ncsc2c1)N1CCC(Oc2ccncc2-c2cc(F)cc(CN3CCC4(CC3)OCCO4)c2)C1,QZEJQVHLNQZDCJ-UHFFFAOYSA-N
-rxn:4:214212:223897,Cc1ccc(-c2ccc(C(=O)N3CCN(C(=O)c4cc5ccccc5[nH]4)CC3)o2)cc1OCCCN1CCOCC1,DAYAUHZGTDUWDM-UHFFFAOYSA-N
-rxn:4:214223:223941,CC(C)(C)OC(=O)N1C(=O)Cc2cc(-c3ccc(C(=O)N4CCC(Cn5cnc6ccccc65)CC4)o3)ccc21,YVHMBFGOQMQTRH-UHFFFAOYSA-N
-rxn:4:214231:225975,CC(C)(C)OC(=O)N1CCOC(c2cn3c(-c4ccnc(N5CCOCC5)c4Cl)cccc3n2)C1,BAQVTHCSIUMKAL-UHFFFAOYSA-N
-rxn:4:214258:224759,O=C(c1cc(F)cc(-c2cnc(OC3CCN(Cc4ccc5c(c4)CCO5)CC3)nc2)c1)N1CCOCC1,DMOLRVPXFQOLIE-UHFFFAOYSA-N
-rxn:4:214273:223937,CC(C)(C)OC(=O)N1CCC(n2cnc3ccc(-c4cc5cccc(Cl)c5n4C(=O)OC(C)(C)C)cc32)CC1,RSITVEQXACNJKF-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:4:214308:223696,Cn1c(=NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)sc2cc(-c3ccc(S(=O)(=O)N4CCC5(CC4)OCCO5)cc3)ccc21,FXMHFQMTGAYQRZ-UHFFFAOYSA-N
-rxn:4:214328:223637,CC(C)(C)OC(=O)N1CCCC(c2ccccc2-c2ccc(CN3CCC(Cn4cnc5ccccc5c4=O)CC3)cc2)C1,FCKITIKVEKACCB-UHFFFAOYSA-N
-rxn:4:214328:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3ccc(CN4CCC(Cn5cnc6ccccc6c5=O)CC4)cc3)ccn2)CC1,IAKMXYYIAMTAGT-UHFFFAOYSA-N
-rxn:4:214586:222584,CC(=O)N1CCC(Oc2cnc(-c3ccc(OCCCN4CCNCC4)c(F)c3)cn2)C1,OLXUPBQYCHIZKZ-UHFFFAOYSA-N
-rxn:4:214662:223945,Cn1ncc(C(=O)N2CCC(C(F)(F)F)CC2)c1-c1ccc(OCCCN2CCOCC2)c(F)c1,ZLVPIEZJEXTXPC-UHFFFAOYSA-N
-rxn:4:214710:222513,CCN1CCN(S(=O)(=O)c2cncc(-c3cc(S(=O)(=O)NC4CCCCC4)ccc3OC)c2)CC1,LECZNPGDNMFPNQ-UHFFFAOYSA-N
-rxn:4:214710:223658,CCN1CCN(S(=O)(=O)c2cncc(-c3ccc(S(=O)(=O)N4CCOCC4)c4ccccc34)c2)CC1,LROWJNCCKVESLL-UHFFFAOYSA-N
-rxn:4:214710:224015,CCN1CCN(S(=O)(=O)c2cncc(-c3cc(S(=O)(=O)N4CCOCC4)c(C)cc3F)c2)CC1,FDLFZVRGZLOVMP-UHFFFAOYSA-N
-rxn:4:214711:224376,CCS(=O)(=O)N1CCN(c2ccc(-c3cccc(S(=O)(=O)N4CCN(C)CC4)c3)cn2)CC1,OOAIFLDDXXMAJQ-UHFFFAOYSA-N
-rxn:4:214730:223699,O=S(=O)(c1ccc(-c2ccc(N3CCN(S(=O)(=O)C4CC4)CC3)nc2)c(C(F)(F)F)c1)N1CCOCC1,AXDRRECRWVFSCE-UHFFFAOYSA-N
-rxn:4:214752:224376,CC(C)N1CCN(C(=O)c2ccc(F)c(-c3cccc(S(=O)(=O)N4CCN(C)CC4)c3)n2)CC1,HLSYCYSFNIWLIH-UHFFFAOYSA-N
-rxn:4:214773:223480,Cc1cc(-c2cncc(S(=O)(=O)N3CCN(C(C)C)CC3)c2)cc(C)c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,UXHALIOBCYPFJN-UHFFFAOYSA-N
-rxn:4:214802:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cccnc3N3CCOC(C(=O)N4CCCC4)C3)c2Cl)CC1,GKSMPRFJDCUHJD-UHFFFAOYSA-N
-rxn:4:214805:225674,O=S(=O)(C1CC1)N1CCCN(c2ccc(-c3cnc(C4CCCCC4)cc3F)cn2)CC1,MSKIPMAMGSVTOP-UHFFFAOYSA-N
-rxn:4:214818:223506,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cccc(-c3cnc(N4CCN(C(=O)C5CCCO5)CC4)c(Cl)c3)c2)CC1,ZFIORXPHWWBSCE-UHFFFAOYSA-N
-rxn:4:214818:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cnc(N4CCN(C(=O)C5CCCO5)CC4)c(Cl)c3)ccn2)CC1,FMMMNNPNWICIEH-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:4:214830:222584,O=C(C1CN(c2ccc(-c3ccc(OCCCN4CCNCC4)c(F)c3)cn2)CCO1)N1CCSCC1,HZEDQPPANAIHLU-UHFFFAOYSA-N
-rxn:4:214830:226554,CCCOc1cc(F)c(-c2ccc(N3CCOC(C(=O)N4CCSCC4)C3)nc2)cc1F,PSRDIVHSRPDGMX-UHFFFAOYSA-N
-rxn:4:214835:222818,COC(=O)c1cc(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCOCC3)C2)c(F)cc1NC(C)=O,YDLYTMNEARDSAJ-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:4:214837:222584,O=C(C1CN(c2ncc(-c3ccc(OCCCN4CCNCC4)c(F)c3)cc2Cl)CCO1)N1CCSCC1,LZCPRLOCYCZMOR-UHFFFAOYSA-N
-rxn:4:214851:223918,CN(C(=O)c1ccc(F)c(-c2cncc(C(=O)N3CCCN(C4CCC4)CC3)c2)c1)C1CCCCC1,KIDJKZBHSOHBPE-UHFFFAOYSA-N
-rxn:4:214855:222865,CCCCNC(=O)c1ccc(-c2cnc(OC3CCN(C4CCSCC4)CC3)nc2)cc1Cl,ZRVXIIXTARAPEN-UHFFFAOYSA-N
-rxn:4:214862:226231,CCCCOc1ncc(-c2cncc(C(=O)N3CCCN(C4CCSC4)CC3)c2)cc1C,FNXHVGOFUKTLKH-UHFFFAOYSA-N
-rxn:4:214862:226528,CCOC(=O)c1ccc(-c2cncc(C(=O)N3CCCN(C4CCSC4)CC3)c2)c(Cl)c1,GJEWKEFLLZXFMA-UHFFFAOYSA-N
-rxn:4:214865:223024,CCCNC(=O)c1cc(-c2cccnc2N2CCCC(C(=O)N3CCOCC3)C2)ccc1F,QARGAGJEUOWMFV-UHFFFAOYSA-N
-rxn:4:214865:225518,CCCCCOc1ncc(C)cc1-c1cccnc1N1CCCC(C(=O)N2CCOCC2)C1,IXIXJPOLVLMGKK-UHFFFAOYSA-N
-rxn:4:214870:224672,CCN1CCN(c2ccc(-c3cc(Cl)cnc3N3CCCC(C(=O)N4CCOCC4)C3)c(Cl)c2)CC1,IMIBZQOCYRBVGH-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:4:214871:226259,CCCCOc1ccc(-c2cnc(N3CCCC(C(=O)N4CCOCC4)C3)c(Cl)c2)cc1Cl,CEYLXUJBVPGYRL-UHFFFAOYSA-N
-rxn:4:214873:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnc(N4CCCC(C(=O)N5CCOCC5)C4)c(F)c3)c(F)c2)CC1,CREUTKUDXMLDKK-FTYYUIOPSA-N
-rxn:4:214873:226231,CCCCOc1ncc(-c2cnc(N3CCCC(C(=O)N4CCOCC4)C3)c(F)c2)cc1C,WHTDEOVTUBSDRW-UHFFFAOYSA-N
-rxn:4:214880:226255,CCCCOc1ccc(Cl)cc1-c1cnc(N2CCOC(C(=O)N3CCOCC3)C2)c(C)c1,DOADGPMLOQNEBA-UHFFFAOYSA-N
-rxn:4:214880:226259,CCCCOc1ccc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)c(C)c2)cc1Cl,FODZVXIHTKMPAF-UHFFFAOYSA-N
-rxn:4:214890:225272,CCOC(=O)C(F)(F)c1ccc(-c2cncc(C(=O)N3CCCN(C4CCSCC4)CC3)c2)cc1,CMLSCIFAPPDFNP-UHFFFAOYSA-N
-rxn:4:215102:222637,CC(NC(=O)OC(C)(C)C)c1ccc(-c2cn3c(n2)CCN(C(=O)OC(C)(C)C)CC3)cc1,CLIDGSFBPPIWBC-UHFFFAOYSA-N
-rxn:4:215143:223505,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(-c3ccccc3S(=O)(=O)N3CCn4nc(C5CC5)cc4C3)cc2)CC1,BDXFAZSURICYDS-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:4:215914:223670,Cc1nc(N2CCC(C(F)(F)F)CC2)ncc1-c1cccnc1N1CCN(C(=O)OC(C)(C)C)CC1,QCUHKOHIWWSRHE-UHFFFAOYSA-N
-rxn:4:215941:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3ccncc3N3CCC(N(C)C)CC3)cc2)CC1,HLNZINAJDATRSJ-UHFFFAOYSA-N
-rxn:4:215945:223992,Cc1ccc(-c2cc(N3CCC(N(C)C)CC3)ccn2)cc1S(=O)(=O)N1CCN(C)CC1,LSJZCFDBGGAWAQ-UHFFFAOYSA-N
-rxn:4:215983:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3cnc(N4CCN(C(C)C)CC4)cc3C)c2)CC1,NSEAMHPBYXTVBB-UHFFFAOYSA-N
-rxn:4:216267:225182,Cn1ncc(C(=O)N2CCCC3CCCCC32)c1-c1ccnc(OC2CCCCC2)c1Cl,QKBVLHVAEBNNMP-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:4:217214:223830,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(N4CCN(C)CC4)nc3C)ccc2C)CC1,UELRGMOSHOTLSN-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:4:218578:222780,CN(C)CCNC(=O)c1cc(F)cc(-c2cnn(C3(CC#N)CCN(C(=O)OC(C)(C)C)CC3)c2)c1,DTUBPFINRDHCNW-UHFFFAOYSA-N
-rxn:4:218578:224290,CC(C)(C)OC(=O)N1CCC(CC#N)(n2cc(-c3ccc(Cl)cc3OCCN3CCOCC3)cn2)CC1,GIEQNEKKDKTRDW-UHFFFAOYSA-N
-rxn:4:218587:223493,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1cnc(OCC2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)nc1,SYCYXWAXQRXEGJ-UHFFFAOYSA-N
-rxn:4:218600:224179,CN1CCN(CCOc2ccc(-c3cnn(CCN4CCN(C(=O)OC(C)(C)C)CC4)c3)cc2)CC1,JIAWOOIDLSDKNV-UHFFFAOYSA-N
-rxn:4:218615:223788,CN(CC1CCN(C(=O)OC(C)(C)C)C1)c1cnc(-c2ccc(OC3CN(C(=O)OC(C)(C)C)C3)cc2)cn1,XPJLPEIBELZNTO-UHFFFAOYSA-N
-rxn:4:218652:223576,CN(CC1CCN(C(=O)OC(C)(C)C)CC1)c1cnc(-c2cccc(OC3CCN(C(=O)OC(C)(C)C)CC3)c2)cn1,QRUKUHDPPORBHF-UHFFFAOYSA-N
-rxn:4:218704:222948,Cc1cc(Cl)ccc1OCC(=O)N1CCCN(c2cc(-c3ccc(-c4cnc(N5CCC(O)CC5)nc4Cl)cc3)n[nH]2)CC1,UBAVTVQAZIEDKE-UHFFFAOYSA-N
-rxn:4:218707:228921,Cc1ccc(S(=O)(=O)N2CCN(C(=O)CC(C)n3nc(C)c(-c4ccc(C(F)F)nc4)c3C)CC2)cc1,VWBSGGSCQYZOPB-UHFFFAOYSA-N
-rxn:4:218709:222948,COc1cc(OC)cc(C(=O)N2CCCN(c3cc(-c4ccc(-c5cnc(N6CCC(O)CC6)nc5Cl)cc4)n[nH]3)CC2)c1,RQPLASGXTFXVNG-UHFFFAOYSA-N
-rxn:4:218754:224272,CC(C)(C)OC(=O)N1CCC(n2c(=O)c3scc(-c4cc5ccncc5n4C(=O)OC(C)(C)C)c3n(CC#N)c2=O)CC1,OYDPVWSNMMEYIP-UHFFFAOYSA-N
-rxn:4:218768:222702,COc1ccc(CCC(=O)N2Cc3cnc(N4CCOCC4)nc3C2)cc1-c1cc(C2CCCNC2)ccc1C(F)(F)F,SKVGMTGREIHVBT-UHFFFAOYSA-N
-rxn:4:218777:222522,COc1ccc(-c2c(C)nn(C(C)CC(=O)N3CCN(S(=O)(=O)c4ccc5ccccc5c4)CC3)c2C)cc1S(=O)(=O)N1CCC(O)CC1,PIBSYPNLKOPTMY-UHFFFAOYSA-N
-rxn:4:218814:223570,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3cccc(-n4nnn(CC(=O)OC(C)(C)C)c4=O)c3)c(F)ncc21,QVFPUKWRNSSHLV-UHFFFAOYSA-N
-rxn:4:218831:223945,O=C(c1cscn1)N1CCC(COc2ncc(-c3ccc(OCCCN4CCOCC4)c(F)c3)cn2)CC1,GAKGEIPCKGDCBV-UHFFFAOYSA-N
-rxn:4:218832:223812,O=C(c1cscn1)N1CCCC(COc2ncc(-c3cc(F)cc(CN4CCC5(CC4)OCCO5)c3)cn2)C1,SUQLYPLCRLRHKV-UHFFFAOYSA-N
-rxn:4:218881:224196,CCN1CCN(Cc2cc(F)cc(-c3cnc(OCC4CCCN(C(=O)c5ccncc5)C4)nc3)c2)CC1,VSNSLRSKYNJJFU-UHFFFAOYSA-N
-rxn:4:218888:224759,Cc1oncc1C(=O)N1CCCC(COc2ncc(-c3cc(F)cc(C(=O)N4CCOCC4)c3)cn2)C1,BREUNSWJMACQPI-UHFFFAOYSA-N
-rxn:4:218894:222584,N#Cc1cc(-c2ccc(OCCCN3CCNCC3)c(F)c2)cnc1N1CCC(COc2ccncc2Cl)CC1,IMCWWCWRCAXJRH-UHFFFAOYSA-N
-rxn:4:218895:222584,CCc1ncnc(OC2CCN(C(=O)c3cncc(-c4ccc(OCCCN5CCNCC5)c(F)c4)c3)C2)c1F,PXFNXFFPBKYARR-UHFFFAOYSA-N
-rxn:4:218896:224672,CCN1CCN(c2ccc(-c3cnc(OCC4CCCN(C(=O)c5cncc(F)c5)C4)nc3)c(Cl)c2)CC1,BEGSUWUYDLCYPX-UHFFFAOYSA-N
-rxn:4:218903:225979,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3cnc(N4CCOCC4)c(Cl)c3)cc2C#N)CC1,FBIJDRLQIOWHSO-UHFFFAOYSA-N
-rxn:4:218974:224374,COc1ccc(S(=O)(=O)N2CCCC2)cc1-c1cnc(N2CCC(COc3ccnc(C)c3)CC2)c(C#N)c1,MIAXOPYUKRAILM-UHFFFAOYSA-N
-rxn:4:218991:225561,Cn1cc(-c2ccccc2C(=O)OC(C)(C)C)c(CN2CCN(C(=O)OC(C)(C)C)CC2)n1,HLBMIVIDJQXVFB-UHFFFAOYSA-N
-rxn:4:218996:224759,Cc1noc(C)c1CN1CCC(COc2ncc(-c3cc(F)cc(C(=O)N4CCOCC4)c3)cn2)CC1,OCICBNNUUBQISJ-UHFFFAOYSA-N
-rxn:4:218998:224624,CC(C)(C)COC(=O)c1ccc(Cl)cc1-c1cnc(OCC2CCCN(C(=O)N3CCOCC3)C2)nc1,RFGGSXGMSDEESZ-UHFFFAOYSA-N
-rxn:4:219002:222584,Cn1cccc(C(=O)N2CCCC(COc3ncc(-c4ccc(OCCCN5CCNCC5)c(F)c4)cn3)C2)c1=O,XKCUNQPMAYOZNY-UHFFFAOYSA-N
-rxn:4:219028:223860,CC1CN(C(=O)c2cnn(C)c2-c2ccccc2CN2CCCc3ccccc32)CCN1C(=O)OC(C)(C)C,BRXWMCRUSOQOBK-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:4:219053:225875,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cncc(-c4ccc(N5CCOCC5)cc4Cl)c3)cn2)CC1,JKNJIVSKFNGGAP-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:4:219072:227377,O=C(Cc1nnc(-c2cccc(-c3cncnc3C3CCCC3)c2)o1)N1CCN(C2CCCCC2)CC1,XIKNGPIYZQTHGN-UHFFFAOYSA-N
-rxn:4:219077:222864,COc1ccc(C(=O)N2CCCN(c3cc(-c4ccc(-c5ccc(OCCNC(C)C)c(F)c5)cc4)n[nH]3)CC2)cc1F,ABNCGJGVTHQHJX-UHFFFAOYSA-N
-rxn:4:219079:224818,Cc1cccc(CC(=O)N2CCCN(c3cc(-c4ccc(-c5ccc(S(=O)(=O)N6CCSCC6)cc5)cc4)n[nH]3)CC2)c1,UXDDZZFTLDGTSX-UHFFFAOYSA-N
-rxn:4:219120:224718,O=C(c1cncc(-c2ccc(OCCN3CCOCC3)nc2)c1)N1CC2CCCC2(COc2ncc(F)cn2)C1,XUCJPJZIEKAKPT-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:4:219184:224759,CCCN1CCN(C(=O)c2cc3n(n2)CC(c2ccc(-c4cc(F)cc(C(=O)N5CCOCC5)c4)cc2)OC3)CC1,QREHESPNKVHVTA-UHFFFAOYSA-N
-rxn:4:219242:224486,CC(C)N(C(=O)c1cccc(-c2cnnn2C2CN(C(=O)OC(C)(C)C)C2)c1)C(C)C,TUPRQYILJLAMFV-UHFFFAOYSA-N
-rxn:4:219320:223693,CC(C)(C)[Si](C)(C)Oc1cc(-c2cnccc2OC2CCN(c3nccc(C(F)(F)F)n3)C2)c(F)c(C(F)(F)F)c1,DAZKMTOFRGBKNR-UHFFFAOYSA-N
-rxn:4:219320:224247,CC1CCN(C(=O)c2ccc(-c3cnccc3OC3CCN(c4nccc(C(F)(F)F)n4)C3)c(F)c2)CC1,QXIXIADCNRTIJZ-UHFFFAOYSA-N
-rxn:4:219371:225613,CC(C)(C)OC(=O)N1CCC(n2cnnc2-c2ccnc(OC3CCCCC3)c2)CC1,VUQHWVPTTAIVBS-UHFFFAOYSA-N
-rxn:4:219372:222584,CC(C)(C)OC(=O)N1CCC(c2[nH]nnc2-c2ccc(OCCCN3CCNCC3)c(F)c2)CC1,QMVFFFQHWCQLPY-UHFFFAOYSA-N
-rxn:4:219381:222546,CSc1ncc(-c2ccc(OCCNC3CCCCC3)c(F)c2)c(N2CCN(S(=O)(=O)C3CC3)CC2)n1,NGSXNVAJVSXSKG-UHFFFAOYSA-N
-rxn:4:219385:222546,CCc1ncnc(N2CCC(Oc3ccncc3-c3ccc(OCCNC4CCCCC4)c(F)c3)C2)c1F,WUUQPCVZNRCPSO-UHFFFAOYSA-N
-rxn:4:219386:223813,Cn1nc(C(=O)N2CCC(Oc3ccncc3-c3ccc(CN4CCC5(CC4)OCCO5)c(F)c3)C2)ccc1=O,CKECFBHOGZVLDB-UHFFFAOYSA-N
-rxn:4:219388:225805,CC(c1ccc(-c2ccc(C(=O)N3CCCN(S(=O)(=O)c4c[nH]cn4)CC3)o2)s1)N1CCOCC1,UPPCXORPDTZOIE-UHFFFAOYSA-N
-rxn:4:219402:224718,CC(C)(C)OC(=O)N1CCN(c2cnc(-c3ccc(OCCN4CCOCC4)nc3)cn2)CC1,NEEMZKIAJYLYNB-UHFFFAOYSA-N
-rxn:4:219419:222945,Cc1nc(N2CCN(C(=O)c3ccc(-c4ccc(S(=O)(=O)NC(C)C)c(F)c4)o3)CC2)cc(C(F)(F)F)n1,WWUKVUAZRWHPKX-UHFFFAOYSA-N
-rxn:4:219457:223886,CC1CN(C(=O)OC(C)(C)C)CCC1n1cc(-c2cccc3c2CCN(C(=O)OC(C)(C)C)C3)nn1,RHVTVYWQAYOBOX-UHFFFAOYSA-N
-rxn:4:219471:226236,CCCCOc1ncc(C)cc1-c1cnc(SC)nc1N1CCOC(C(=O)N2CCCC2)C1,WNJJECLQGSVDDT-UHFFFAOYSA-N
-rxn:4:219488:223823,C[C@H]1CN(C(=O)OC(C)(C)C)CCN1c1ncc(-c2cnn(C3CCN(C(=O)OC(C)(C)C)CC3)c2)cn1,ZNYAWFWUYFUKNA-IBGZPJMESA-N
-rxn:4:219494:222584,Cc1cc(N2CCC(Oc3ccncc3-c3ccc(OCCCN4CCNCC4)c(F)c3)C2)nc(C2CC2)n1,QDVNRPPPQSYQSK-UHFFFAOYSA-N
-rxn:4:219495:222700,FC(F)(F)c1ccc(-c2cnccc2OC2CCN(c3cc(C4CCC4)ncn3)C2)c(C2CCCNC2)c1,NWINUADKIMLNCM-UHFFFAOYSA-N
-rxn:4:219497:222634,N#Cc1cc(-c2ccc(OCCNC3CCCC3)c(F)c2)cnc1N1CCOC(C(=O)N2CCCCC2)C1,CQIPUAQEMYJQJE-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:4:219501:224320,CSc1ncc(-c2cc(S(=O)(=O)N3CCCCC3)ccc2C)c(N2CCOC(C(=O)N3CCOCC3)C2)n1,WTSHDKITJRHLGD-UHFFFAOYSA-N
-rxn:4:219529:222584,COc1nc(N2CCCC(C(=O)N3CCOCC3)C2)ncc1-c1ccc(OCCCN2CCNCC2)c(F)c1,AYFSFESNLKSQNY-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:4:219560:223055,Cc1nc(N2CCNCC2)ccc1-c1ccccc1C(=O)N1CCCN(S(=O)(=O)c2cn(C)c(C)n2)CC1,VPZOXZAJCGDPMZ-UHFFFAOYSA-N
-rxn:4:219653:225882,CC(C)(C)OC(=O)N1CCN(c2nc3ccc(-c4cnc(Cl)c(C5CCOCC5)c4)nc3s2)CC1,IVVNFAHPIVVSOF-UHFFFAOYSA-N
-rxn:4:219654:225875,CC(C)(C)OC(=O)N1CCN(c2ncnc3sc(-c4ccc(N5CCOCC5)cc4Cl)cc23)CC1,VICZYBGJIRXXNK-UHFFFAOYSA-N
-rxn:4:219689:225979,CC(C)(C)OC(=O)N1CCN(c2ccc3ncc(-c4cnc(N5CCOCC5)c(Cl)c4)n3c2)CC1,QHMAFFBLMOAJBW-UHFFFAOYSA-N
-rxn:4:219692:226502,CC(C)(C)OC(=O)N1CCC(n2cc(-c3ccn(C(=O)OC(C)(C)C)c3)c3cnc(Cl)nc32)CC1,RBCUTXJDDMTHRT-UHFFFAOYSA-N
-rxn:4:219716:224376,Cc1cc(N2CC3CN(C(=O)Cc4ccc(-c5cccc(S(=O)(=O)N6CCN(C)CC6)c5)cc4)CC3C2)ncn1,DWUPSKOMKUHLPP-UHFFFAOYSA-N
-rxn:4:219750:223602,COc1ccc(-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2Cl)c(C(=O)N2CCCc3cnc(N4CCOCC4)nc32)c1,JNBKDFMQKWLKLJ-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:4:219909:223650,Cn1cnc(N2CCC(Oc3ccncc3-c3ccccc3N3CCN(C(=O)OC(C)(C)C)CC3)C2)cc1=O,LPMGLVKUKBKOHK-UHFFFAOYSA-N
-rxn:4:219931:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCCN(S(=O)(=O)C5CC5)CC4)nc3)cc2)CC1,ZYQCVDXDANWRCZ-UHFFFAOYSA-N
-rxn:4:219938:223998,CC1CCN(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCN(c5cnccn5)CC4)cc3)cc2F)CC1,HJBBZSQVQMADLZ-UHFFFAOYSA-N
-rxn:4:219955:224672,CCN1CCN(c2ccc(-c3cnc(N4CCOC(C(=O)N5CCSCC5)C4)nc3)c(Cl)c2)CC1,HVIKIRDCNAIKBB-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:4:219959:222684,O=C(C1CN(c2ncc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)cn2)CCO1)N1CCOCC1,IYIKCXUDOKUTRM-UHFFFAOYSA-N
-rxn:4:219959:223028,CCCNC(=O)c1ccc(F)c(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)nc2)c1,CGYXUKYKNVCWFM-UHFFFAOYSA-N
-rxn:4:219959:224056,CCC[C@H]1CC[C@H](c2ccc(-c3cnc(N4CCOC(C(=O)N5CCOCC5)C4)nc3)c(F)c2)CC1,MWOWQCWZIPMMFA-YOQWSDCESA-N
-rxn:4:219975:226231,CCCCOc1ncc(-c2cnc(N3CCOC(C(=O)N4CCCCC4)C3)nc2)cc1C,NXUSUMUXEUXBCM-UHFFFAOYSA-N
-rxn:4:219988:224196,CCN1CCN(Cc2cc(F)cc(-c3cnc(N4CCCC(C(=O)N5CCOCC5)C4)nc3)c2)CC1,BPSREZNFVWMDNI-UHFFFAOYSA-N
-rxn:4:219988:226231,CCCCOc1ncc(-c2cnc(N3CCCC(C(=O)N4CCOCC4)C3)nc2)cc1C,ADCFCAQYVXMSRT-UHFFFAOYSA-N
-rxn:4:219991:223069,CCCS(=O)(=O)Nc1cccc(-c2cncc(C(=O)N3CCC(N4CC(=O)N(C)C4=O)CC3)c2)c1,OZWXYQXZOFLHCG-UHFFFAOYSA-N
-rxn:4:220136:222629,CC(C)(C)c1cc(-c2ccc3ncnc(N4CCN(S(=O)(=O)C5CC5)CC4)c3c2)cc(C2CCCNC2)n1,QFAQMESWJNKZMJ-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:4:220204:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc4ncnc(N5CCOC(C(=O)N6CCOCC6)C5)c4c3)c2)CC1,UNTUFDFFLMETSP-UHFFFAOYSA-N
-rxn:4:220209:222846,N#Cc1ccc(C2CCCNC2)cc1-c1ccccc1S(=O)(=O)N1CCCc2cnc(N3CCOCC3)nc21,VPTQLIKVDVAUTL-UHFFFAOYSA-N
-rxn:4:220222:223945,Cc1ccc(-c2ccc(OCCCN3CCOCC3)c(F)c2)cc1C(=O)N1CCN(c2cc3c(nn2)CCC3)CC1,KHXKKXYNINEKGG-UHFFFAOYSA-N
-rxn:4:220225:226545,CCCOc1c(Cl)ccc(-c2ccc3ncnc(N4CCCC(C(=O)N5CCOCC5)C4)c3c2)c1F,QTRGTEDCNGDYTG-UHFFFAOYSA-N
-rxn:4:220303:223492,Cc1cc(-c2cnn(-c3ccc([N+](=O)[O-])cn3)c2)ccc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,JNEUQKFIILKPCH-UHFFFAOYSA-N
-rxn:4:220429:224848,CC[C@H]1CC[C@H](c2ccc(-c3cnc(N4CCCN(C5CCOC5)CC4)nc3)cc2)CC1,CHINHTXEMYYYNS-HPCXZVJPSA-N
-rxn:4:220811:223505,CN1CCN(c2ccc(-c3ccc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)cc3)nn2)CC1,ZWLALEPTARFDKS-UHFFFAOYSA-N
-rxn:4:220813:223540,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1cncc(N2CCN(C)CC2)n1,DUJSHXJIHKPFRT-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:4:221108:223812,Cc1ncn(CC(=O)N2CCC(COc3ncc(-c4cc(F)cc(CN5CCC6(CC5)OCCO6)c4)cn3)CC2)c(=O)c1C,DUDICJJFCNNEPE-UHFFFAOYSA-N
-rxn:4:221126:222740,CCOC(=O)C1CCCN(c2nc3c(S(=O)(=O)c4ccc(-c5cc(C(C)C)nc(C6CCCNC6)c5)cc4)nnn3c3ccsc23)C1,MXGBCUUQISOECO-UHFFFAOYSA-N
-rxn:4:221126:222890,CCOC(=O)C1CCCN(c2nc3c(S(=O)(=O)c4ccc(-c5cc(OC)nc(C6CCCNC6)c5)cc4)nnn3c3ccsc23)C1,LVCIEHAANDRLIZ-UHFFFAOYSA-N
-rxn:4:221169:224398,Cc1cc(F)c(-c2cnc(OCC3CCCN(S(=O)(=O)c4cnn(C)c4)C3)nc2)cc1S(=O)(=O)N1CCCC1,OQKQCCKXYNANON-UHFFFAOYSA-N
-rxn:4:221171:224759,CCc1ncnc(N2CCCC(COc3ncc(-c4cc(F)cc(C(=O)N5CCOCC5)c4)cn3)C2)c1F,VNWFBKYPOJZHRE-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:4:221208:222536,Cc1ccc(NC(=O)c2cccc(-c3ccc(CCN4CCN(c5cc(C)nc(N6CCOCC6)n5)CC4)cc3)c2)c(C)c1,ZEWULEMBQIALJG-UHFFFAOYSA-N
-rxn:4:221208:222987,Cc1cc(N2CCN(CCc3ccc(-c4ccc(C5CCNCC5)nc4C)cc3)CC2)nc(N2CCOCC2)n1,IAXMZWJTQFWXES-UHFFFAOYSA-N
-rxn:4:221219:223831,COc1cc2ncnc(N3CC(Cn4cc(-c5ccc(OC)c(S(=O)(=O)N6CCC(C)CC6)c5)cn4)C3)c2cc1OC,QAPWHBHXFVTQDJ-UHFFFAOYSA-N
-rxn:4:221230:223043,N#Cc1cc2c(nc1N1CCCC(COc3ncc(-c4ccc(C(=O)NC5CC5)c(Cl)c4)cn3)C1)CCC2,PAQLXWZFNHJEQL-UHFFFAOYSA-N
-rxn:4:221230:225179,N#Cc1cc2c(nc1N1CCCC(COc3ncc(-c4cccc(Cl)c4CN4CCOCC4)cn3)C1)CCC2,CQLBDYIKGWCCRN-UHFFFAOYSA-N
-rxn:4:221243:222584,CN(C(=O)Cn1ncn2nc(-c3ccc(-c4ccc(OCCCN5CCNCC5)c(F)c4)cc3)cc2c1=O)C1CCCCC1,HDTSZVBLJNIQMF-UHFFFAOYSA-N
-rxn:4:221249:223498,CC(C)(C)OC(=O)N1CCCN(C(=O)c2ccc(-c3cnn4cc(-c5ccc(N6CCN(C(=O)OC(C)(C)C)CC6)cc5)cnc34)cc2)CC1,KNKFYIUVYOCWGF-UHFFFAOYSA-N
-rxn:4:221249:224718,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc4c(-c5ccc(OCCN6CCOCC6)nc5)cnn4c3)cc2)CC1,QPFQBNSMMJKZJH-UHFFFAOYSA-N
-rxn:4:221353:224182,Cc1cc(-c2cncc(C(=O)N3CCC(n4cc(C5CC5)nn4)C3)c2)ccc1OCCN1CCOCC1,IDDJVSPPKLTNSM-UHFFFAOYSA-N
-rxn:4:221365:223679,CCN1CCN(S(=O)(=O)c2c(C)cc(-c3cnc(OCC4CCCN(c5nccnc5C)C4)nc3)cc2C)CC1,TZAZBLBUXKLCHT-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:4:221369:223649,Cn1nc(C(=O)N2CCCC(Oc3ncc(-c4cccc(N5CCN(C(=O)OC(C)(C)C)CC5)c4)cn3)C2)ccc1=O,VFZNVHNKXCQJNX-UHFFFAOYSA-N
-rxn:4:221382:224561,Cc1c(O[Si](C)(C)C(C)(C)C)cccc1-c1cncc(C(=O)N2CCN(c3ccc(C4CC4)nn3)CC2)c1,TWJJWWPYFCAEFP-UHFFFAOYSA-N
-rxn:4:221387:223671,Cc1ncnc(OCC2CCN(c3ncc(-c4ccnc(N5CCN(C(=O)OC(C)(C)C)CC5)c4)cn3)CC2)c1C,BORJCZIWIKBBDV-UHFFFAOYSA-N
-rxn:4:221394:223503,CC(C)(C)OC(=O)N1CCC(Oc2cc(F)c(-c3cnc(N4CCC(Cn5nc(C6CC6)ccc5=O)CC4)nc3)c(F)c2)CC1,WMYDDXBLJJVVFD-UHFFFAOYSA-N
-rxn:4:221394:223999,CC1CCN(S(=O)(=O)c2ccc(F)c(-c3cnc(N4CCC(Cn5nc(C6CC6)ccc5=O)CC4)nc3)c2)CC1,GRWGQZJFTLLMOR-UHFFFAOYSA-N
-rxn:4:221394:224160,CC(C)(C)OC(=O)N1CCc2cc(-c3cnc(N4CCC(Cn5nc(C6CC6)ccc5=O)CC4)nc3)ccc21,LVOJEXCAYQVKOQ-UHFFFAOYSA-N
-rxn:4:221394:224322,CC1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCC(Cn5nc(C6CC6)ccc5=O)CC4)nc3)cc2)CC1,KEPCIDACZUJFFH-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:4:221419:223588,Cc1cc(-c2cnc(N3CCC(Cn4nc(C(C)(C)C)ccc4=O)CC3)nc2)cnc1N1CCN(C(=O)OC(C)(C)C)CC1,GMCAGBWVNJOLDB-UHFFFAOYSA-N
-rxn:4:221419:223937,CC(C)(C)OC(=O)n1c(-c2cnc(N3CCC(Cn4nc(C(C)(C)C)ccc4=O)CC3)nc2)cc2cccc(Cl)c21,QZIANHPAHFTABL-UHFFFAOYSA-N
-rxn:4:221421:223045,CC(C)NC(=O)c1ccc(F)c(-c2cccc(C(=O)N3CCN(c4ccc(N5CCOCC5)nn4)CC3)c2)c1,WDAFAYPUFCDHOX-UHFFFAOYSA-N
-rxn:4:221422:223135,O=C(c1cc(-c2cccnc2C2CCCNC2)ccc1Cl)N1CCN(c2ccc(N3CCOCC3)nn2)CC1,HGSKBCMJNQQSQT-UHFFFAOYSA-N
-rxn:4:221432:223145,Cc1cc(N2CCCC2)nc(N2CCN(C(=O)c3cccc(-c4ccc(C5CCC(=O)N5)cc4)c3)CC2)n1,QPGMOPOSEVQNMJ-UHFFFAOYSA-N
-rxn:4:221440:223999,Cc1cc(N2CCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(S(=O)(=O)N5CCC(C)CC5)ccc4F)cc3)CC2)n1,WYLXNBYOCYKGSY-UHFFFAOYSA-N
-rxn:4:221441:222699,Cc1cc(N2CCOCC2)nc(N2CCN(Cc3cccc(-c4ccc(C5CCCNC5)c(C(F)(F)F)c4)c3)CC2)n1,YFPIGRUALJOXFC-UHFFFAOYSA-N
-rxn:4:221446:224759,Cc1cc(N2CCOCC2)nc(N2CCN(Cc3ccc(-c4cc(F)cc(C(=O)N5CCOCC5)c4)cc3)CC2)n1,GZEQHWVTKHCBRP-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:4:221456:223226,CCC(=O)Nc1cccc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)c1,QGMBIGFIABYUTD-UHFFFAOYSA-N
-rxn:4:221498:223659,CC(C)(C)OC(=O)N1CCC(Cn2cc(-c3c[nH]c4ncnc(N5CCN(C(=O)OC(C)(C)C)CC5)c34)cn2)CC1,VDVMLMNUPKJGDU-UHFFFAOYSA-N
-rxn:4:221499:223790,CC(C)(C)OC(=O)N1CCCC1c1cncc(-c2ccc3ccn(CC(=O)N4CCN(c5ncccn5)CC4)c3c2)c1,PKJMDFHJLPEMEU-UHFFFAOYSA-N
-rxn:4:221608:223790,CC(C)(C)OC(=O)N1CCCC1c1cncc(-c2cncc(C(=O)N3CCC(n4ccnn4)CC3)c2)c1,ZYILOJZZHYFPJH-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:4:221728:222584,Cn1nc(C2CCN(c3nc4ccc(-c5ccc(OCCCN6CCNCC6)c(F)c5)cc4s3)CC2)n(C2CC2)c1=O,SLKFNFKPDBYNGH-UHFFFAOYSA-N
-rxn:4:221730:222634,Cc1nc2cc(F)ccc2c(=O)n1CC1CCN(c2ncc(-c3ccc(OCCNC4CCCC4)c(F)c3)cn2)CC1,KKLMEMBGDULACT-UHFFFAOYSA-N
-rxn:4:221738:223525,CCCn1c(=O)c2c(nc3n(-c4ccc(-c5cccc(C(=O)N6CCN(C(=O)OC(C)(C)C)CC6)c5)cc4)c(C)cn23)n(C)c1=O,ZHDDGTLENVXGGF-UHFFFAOYSA-N
-rxn:4:221753:222634,CC(C)Cn1c(=O)c2c(nc3n2CCCN3c2ccc(-c3ccc(OCCNC4CCCC4)c(F)c3)cc2)n(C)c1=O,QUCVRRRLKPHNBX-UHFFFAOYSA-N
-rxn:4:221913:224243,CC1CCCCN1C(=O)c1cc(F)cc(-c2cccnc2OC2CCN(C(=O)CSc3nnnn3C)CC2)c1,IKTQUHKFCQHMIF-UHFFFAOYSA-N
-rxn:4:221935:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cnc(OCC4CCCN(c5nccnc5C#N)C4)nc3)c2Cl)CC1,PHWWGPNZUGUHTQ-UHFFFAOYSA-N
-rxn:4:221937:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2cnc(OCC3CCN(C(=O)c4cn(C)nn4)CC3)nc2)CC1,IRQOTCOKZSFCJN-UHFFFAOYSA-N
-rxn:4:221967:222523,CC(=O)C(C(=O)N(C)C)n1cnc2c(nnn2-c2ccc(-c3ccc(S(=O)(=O)NC(C)(C)C)cc3C(F)(F)F)cc2)c1=O,KBTHGZVMAOCXIA-UHFFFAOYSA-N
-rxn:4:221967:223498,CC(=O)C(C(=O)N(C)C)n1cnc2c(nnn2-c2ccc(-c3ccc(C(=O)N4CCCN(C(=O)OC(C)(C)C)CC4)cc3)cc2)c1=O,OKWVFUDWIDXCPR-UHFFFAOYSA-N
-rxn:4:221982:225940,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(C(F)(F)F)cnc6C6CC6)cc5)no4)C3C2=O)cc1,GARUIEXZSYPJHP-UHFFFAOYSA-N
-rxn:4:221982:226842,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cncc(C(=O)C(F)(F)F)c6)cc5)no4)C3C2=O)cc1,PPUIPENBEGPSNZ-UHFFFAOYSA-N
-rxn:4:221985:223530,Cn1cc(-c2nc3cnc(-c4cc(F)ccc4CN4CCN(C(=O)OC(C)(C)C)CC4)cc3n2[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cn1,PHLPOLXKDWGCGK-HHHXNRCGSA-N
-rxn:4:222015:222537,Cc1nccn1-c1cc(N2CCN(C(=O)c3ccc(-c4cc(C5CCCC5)nc(C5CCCNC5)c4)o3)CC2)ncn1,YOGCMUOVSGNBEK-UHFFFAOYSA-N
-rxn:4:222015:223970,Cc1ccc(-c2ccc(C(=O)N3CCN(c4cc(-n5ccnc5C)ncn4)CC3)o2)cc1S(=O)(=O)N1CCC(C)CC1,KIQMPTOYIAKJIM-UHFFFAOYSA-N
-rxn:4:222032:224377,CN1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCN(c5ccnc(N(C)C)n5)CC4)c(C(F)(F)F)c3)cc2)CC1,LNZPEYSGGUAAEU-UHFFFAOYSA-N
-rxn:4:222046:224391,CCc1c(C)nc(C2CC2)nc1N1CCN(c2ncc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3C)cn2)CC1,VYMSWAIKHBHLGC-UHFFFAOYSA-N
-rxn:4:222112:223595,Cc1nc2ccc(OCC3CCN(c4ncc(-c5ccc(N6CCN(C(=O)OC(C)(C)C)CC6)c(F)c5)cn4)CC3)nn2c1C,NCNDJKNGLLBWAU-UHFFFAOYSA-N
-rxn:4:222149:222538,FC(F)(F)c1ccnc(N2CCN(c3ncc(-c4cc(C5CCCC5)nc(C5CCNCC5)c4)cn3)CC2)n1,XUWGJQBJVFTCJR-UHFFFAOYSA-N
-rxn:4:222153:223608,Cc1nc(C(F)F)cc(N2CCN(c3ncc(-c4ccc(OC(F)(F)F)c(S(=O)(=O)N5CCOCC5)c4)cn3)CC2)n1,CJPNSQSQVRFAPR-UHFFFAOYSA-N
-rxn:4:222153:224323,Cc1nc(C(F)F)cc(N2CCN(c3ncc(-c4cc(C)c(S(=O)(=O)N5CCCC5)c(C)c4)cn3)CC2)n1,ZZKTXYHYYQMUJS-UHFFFAOYSA-N
-rxn:4:222156:223594,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)cc(-c3cnc(N4CCN(c5ncnc(C6CC6)c5F)CC4)nc3)c2)CC1,JPNNLECXLWUIIZ-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:4:222156:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cnc(N4CCN(c5ncnc(C6CC6)c5F)CC4)nc3)c2Cl)CC1,CMDXDLWKCPMKID-UHFFFAOYSA-N
-rxn:4:222161:223945,Cn1nc(C2CCN(c3ncc(-c4ccc(OCCCN5CCOCC5)c(F)c4)cn3)CC2)n(C2CC2)c1=O,HXWXKWBYYHYKCS-UHFFFAOYSA-N
-rxn:4:222168:223835,Cc1cc(F)c(-c2cnc(N3CCN(c4cc(C5CCOCC5)ncn4)CC3)nc2)cc1S(=O)(=O)N1CCC(C)CC1,XQGMOOIVBPEURT-UHFFFAOYSA-N
-rxn:4:222169:223840,COc1ccc(-c2cnc(N3CCN(c4cc(C(C)(C)C)nc(C)n4)CC3)nc2)cc1S(=O)(=O)N1CCN(C)CC1,SDFLNCLIOBMCCO-UHFFFAOYSA-N
-rxn:4:222193:225172,Cn1nc2cc(-c3cc(CN4CCOCC4)ccc3F)ccc2c1C(=O)N1Cc2cnc(N3CCOCC3)nc2C1,VPEKGWKJDFAPOX-UHFFFAOYSA-N
-rxn:4:222211:222439,O=S(=O)(NC1CCCCC1)c1ccc(-c2cnc(N3CCN(c4cnsn4)CC3)nc2)c(C(F)(F)F)c1,VTCILIIGKHRSTH-UHFFFAOYSA-N
-rxn:4:222275:222584,COc1ccc(-n2nnc3c(N4CCN(C(=O)c5ccc(-c6ccc(OCCCN7CCNCC7)c(F)c6)o5)CC4)ncnc32)cc1,LYECQSAXKHYQFJ-UHFFFAOYSA-N
-rxn:4:222289:223755,CC1CCN(CCCOc2ccc(-c3cnc(N4CCC(Cn5nc(-n6cccn6)ccc5=O)CC4)nc3)cc2F)CC1,BQBVKPRQKWGQAC-UHFFFAOYSA-N
-rxn:4:222331:224377,CN1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCN(c5nccc(N6CCOCC6)n5)CC4)nc3)cc2)CC1,JGVJPTPXQTVQQM-UHFFFAOYSA-N
-rxn:4:222335:222654,Cc1cc(N2CCN(c3ncc(-c4ccc(Cl)c(C(=O)NC5CCCCC5)c4)cn3)CC2)nc(N2CCCC2)n1,PLCGOPOWUAHGJI-UHFFFAOYSA-N
-rxn:4:222336:223812,Cc1cc(C)n(-c2ccc(=O)n(C3CCN(c4ncc(-c5cc(F)cc(CN6CCC7(CC6)OCCO7)c5)cn4)CC3)n2)n1,PYRZCEHJNFUVCF-UHFFFAOYSA-N
-rxn:4:222362:223640,CCOC12C(=O)c3cc(F)cc(-c4cc(-c5cn(Cc6cn7cc(CN8CCC(C)(C)CC8)ccc7n6)nn5)c5cn[nH]c5c4)c3C(=O)C1C2(C)C,HBJVQQZNDMYUOG-UHFFFAOYSA-N
-rxn:4:222461:197876,CC(C)(C)OC(=O)Nc1nc2c(-c3cc4c(cc3Cl)C(=O)N(C(C)(C)C)S4(=O)=O)c(F)cc(F)c2s1,VTNJITRRMFZGFP-UHFFFAOYSA-N
-rxn:4:222462:184094,CC(C)c1ccc(CN(C(=O)c2ccccc2-c2c(F)cc3nc(NC(=O)OC(C)(C)C)sc3c2F)C2CCS(=O)(=O)C2)cc1,CMXQAKOSRCVLDG-UHFFFAOYSA-N
-rxn:4:222521:184094,CC(C)c1ccc(CN(C(=O)c2ccccc2-c2cc(NC(=O)OC(C)(C)C)cc(C(F)(F)F)c2)C2CCS(=O)(=O)C2)cc1,ZQKJUTVIAGWEDV-UHFFFAOYSA-N
-rxn:4:222523:178780,CC(C)(C)NS(=O)(=O)c1ccc(-c2cc(C(=O)C(F)(F)F)c(F)cc2Cl)c(C(F)(F)F)c1,STLSHJSPDICBCV-UHFFFAOYSA-N
-rxn:4:222543:184223,Cc1ccc(C(=O)C(C)OC(=O)c2cc(-c3ccc(-c4ccc(C5(NC(=O)OC(C)(C)C)CC5)cc4)cc3)nc3ccc(C)cc23)cc1,UWXBVJUXHUZYIN-UHFFFAOYSA-N
-rxn:4:222613:185105,CCCNS(=O)(=O)c1ccc(-c2ccccc2C(=O)N2CC(S(=O)(=O)CC(C)C)C2)c(C(F)(F)F)c1,MKXGYRMTXGVJRM-UHFFFAOYSA-N
-rxn:4:222712:199500,COC(=O)C(C(=O)OC(C)(C)C)c1ncc(-c2ccc(NC(=O)OC(C)(C)C)c(F)c2F)cn1,HVIHCWOXJIWZCK-UHFFFAOYSA-N
-rxn:4:222751:199500,COC(=O)C(C(=O)OC(C)(C)C)c1ncc(-c2ccc(C)c(NC(=O)OC(C)(C)C)c2)cn1,IWNYMCCNZSCNDS-UHFFFAOYSA-N
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-rxn:5:181904:226686:225438,Cc1cnn(C2CCCCO2)c1-c1ccc(C2OCCO2)c(C)c1-c1ccc(C(C)N2CCCC2)cc1,AGTGUZCNGKMRNS-UHFFFAOYSA-N
-rxn:5:181908:225436:225683,Cc1cc(-c2ccc(CN3CCCCC3)cc2)c(-c2ccc(C3CCCOC3)nc2C)cc1C1OCCO1,MBBOBHINPFEPEZ-UHFFFAOYSA-N
-rxn:5:181908:225684:222957,Cc1cc(-c2cc(C3OCCO3)c(C)cc2-c2ccc(C3CCOCC3)nc2C)cc(C2CCCNC2)c1,VZKVYJZDVZNDEN-UHFFFAOYSA-N
-rxn:5:182010:225832:223146,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2cccc(C3CNCCO3)c2)ccc1C1CCOCC1,QTEQDAKSNDBVMI-UHFFFAOYSA-N
-rxn:5:182010:226686:222996,Cc1cnn(C2CCCCO2)c1-c1cc(-c2ccc(F)cc2C2CCCNC2)ccc1C1CCOCC1,NKKYGYXRGLFFED-UHFFFAOYSA-N
-rxn:5:182012:222981:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(-c2ccnc(NC3CCCCC3)c2)cc1C1CCCOC1,AJBLTSZDJFKBBZ-UHFFFAOYSA-N
-rxn:5:182012:226197:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2ccc(C3CCCOC3)cc2)cc1C1CCCOC1,AYJPIICQGNBOSI-UHFFFAOYSA-N
-rxn:5:182012:227119:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2cc(C3CCCCC3)cs2)cc1C1CCCOC1,ITFXLUJYKWYICJ-UHFFFAOYSA-N
-rxn:5:183217:226155:226027,CC(=O)c1cc(-c2cc(-c3ccc(F)c(S(=O)(=O)N(C)C)c3)cc3c2OC(C)(C)CC3=O)cc(C2CC2)c1,RXPHLGIXSKRXSE-UHFFFAOYSA-N
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-rxn:5:189079:226426:225982,CCN(C)C(=O)c1ccc(-c2cnc(N3CCOCC3)cc2F)c(-c2ccc(N3CCC(C)CC3)s2)c1,WCUJPZKQCPNQQF-UHFFFAOYSA-N
-rxn:5:189079:226427:225976,CCN(C)C(=O)c1ccc(-c2ccnc(N3CCOCC3)c2F)c(-c2cc(N3CCC(C)CC3)cs2)c1,SPIBDXFLFWTRBR-UHFFFAOYSA-N
-rxn:5:189079:226583:225976,CCN(C)C(=O)c1ccc(-c2ccnc(N3CCOCC3)c2F)c(-c2ccc(CN3CCOCC3)s2)c1,NZWZZBHSTJCNNH-UHFFFAOYSA-N
-rxn:5:189079:226583:225978,CCN(C)C(=O)c1ccc(-c2ccc(N3CCOCC3)nc2F)c(-c2ccc(CN3CCOCC3)s2)c1,JAYKZYRGYDXFOK-UHFFFAOYSA-N
-rxn:5:189079:226583:225982,CCN(C)C(=O)c1ccc(-c2cnc(N3CCOCC3)cc2F)c(-c2ccc(CN3CCOCC3)s2)c1,NNPVUALIDUXLGZ-UHFFFAOYSA-N
-rxn:5:189079:226661:223064,CCN(C)C(=O)c1ccc(-c2ccc(C3CCNCC3)nc2F)c(-c2cc(N3CCN(C)CC3)cs2)c1,NSVAYRQCXANGCW-UHFFFAOYSA-N
-rxn:5:189079:226661:225980,CCN(C)C(=O)c1ccc(-c2cc(N3CCOCC3)ncc2F)c(-c2cc(N3CCN(C)CC3)cs2)c1,GYWGRINAYVGPPW-UHFFFAOYSA-N
-rxn:5:189079:226661:225982,CCN(C)C(=O)c1ccc(-c2cnc(N3CCOCC3)cc2F)c(-c2cc(N3CCN(C)CC3)cs2)c1,QMVYIEXDNBBRMF-UHFFFAOYSA-N
-rxn:5:189079:226662:223064,CCN(C)C(=O)c1ccc(-c2ccc(C3CCNCC3)nc2F)c(-c2ccc(N3CCN(C)CC3)s2)c1,YAAHWVQPTJJDLF-UHFFFAOYSA-N
-rxn:5:189207:226743:227828,CCc1cc(-c2ccc(-c3cccc(C4CC4)c3C)c(C(=O)ON3C(=O)CCC3=O)c2)cc(C(F)(F)F)n1,OLZPZQFKKXDCAK-UHFFFAOYSA-N
-rxn:5:189209:228142:223186,CCCc1cc(-c2cc(C(=O)ON3C(=O)CCC3=O)cc(-c3cnn(C4CCCCO4)c3)c2)cc(F)n1,XUACPVFECUUVDK-UHFFFAOYSA-N
-rxn:5:189211:225451:228003,CSc1cc(C)c(-c2c(C(=O)ON3C(=O)CCC3=O)cccc2-c2ccc(SC3CCCCC3)cc2)c(C)c1,XLZOWRDMINHVAK-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:5:189212:227278:227120,N#CC1(c2ccc(-c3cc(C(=O)ON4C(=O)CCC4=O)ccc3-c3ccc(C4CCC4)cc3F)cn2)CC1,SHUGDGQJLBNFFD-UHFFFAOYSA-N
-rxn:5:189212:228366:226742,CN(C)c1ncc(-c2cc(C(=O)ON3C(=O)CCC3=O)ccc2-c2ccc(C#N)cc2C(F)(F)F)cc1F,NRTCHQRUGMDHFJ-UHFFFAOYSA-N
-rxn:5:189322:226466:226048,CN1C(=O)COc2cc(-c3cnc(-c4c(F)ccc(F)c4OC(F)(F)F)c(C(=O)OC(C)(C)C)c3)ccc21,BOTGWBOGGHWEMO-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:5:189335:226588:225456,COc1cc(C(=O)N(C)C)cc(-c2cc(OC3CCC3)ncc2F)c1-c1ccc(C2CCN(C)CC2)cc1,ULKAFBKFKIJZCN-UHFFFAOYSA-N
-rxn:5:189512:226040:225656,Cc1c(-c2ccc([N+](=O)[O-])c(S(=O)(=O)c3cccc(-c4cncc(N5CCCCC5C)c4)c3)c2)cc([N+](=O)[O-])cc1[N+](=O)[O-],LFBCKFDMUSEWFA-UHFFFAOYSA-N
-rxn:5:189538:226058:225407,CC(C)c1cccc(C(C)C)c1-c1ccc(C(=O)N(C)C(C)C)cc1-c1ccc(C2CCCCCC2)cc1,QFZJCUPKVRCJAP-UHFFFAOYSA-N
-rxn:5:189664:226133:227103,Cc1c(C#N)cc(C2CC2)cc1-c1ccc(CC(=O)N2CCCC2)c(-c2sccc2C2CCCCC2)c1,DIFBKOHLJFHDBU-UHFFFAOYSA-N
-rxn:5:189665:227103:227803,CN(C)S(=O)(=O)n1nccc1-c1cc(-c2sccc2C2CCCCC2)cnc1OCC1CCOCC1,LIVJRQTXCXUVHP-UHFFFAOYSA-N
-rxn:5:189665:227404:227803,CN(C)S(=O)(=O)n1nccc1-c1cc(-c2cc(N3CCCCC3)cs2)cnc1OCC1CCOCC1,RVELEVWWIVQWJK-UHFFFAOYSA-N
-rxn:5:189665:227803:227103,CN(C)S(=O)(=O)n1nccc1-c1cnc(OCC2CCOCC2)c(-c2sccc2C2CCCCC2)c1,BULJHSDNZGFRSP-UHFFFAOYSA-N
-rxn:5:189665:227803:227403,CN(C)S(=O)(=O)n1nccc1-c1cnc(OCC2CCOCC2)c(-c2ccc(N3CCCCC3)s2)c1,XFKHOCZGXXNHTG-UHFFFAOYSA-N
-rxn:5:189665:227803:227404,CN(C)S(=O)(=O)n1nccc1-c1cnc(OCC2CCOCC2)c(-c2cc(N3CCCCC3)cs2)c1,FUMPOBNOCCZRCK-UHFFFAOYSA-N
-rxn:5:189666:225683:227315,Cc1nc(C2CCCOC2)ccc1-c1cc(/C=N/[S@](=O)C(C)(C)C)ccc1-c1cnc(CC(C)C)cc1F,IVGNOYAPUQFPOD-UBDGNYOHSA-N
-rxn:5:189668:223063:226424,CC1CCCN(c2csc(-c3ccc(CC(=O)N4CCCC4)c(-c4cc(F)nc(C5CCNCC5)c4)c3)c2)C1,GDTNUGRTGBBLBV-UHFFFAOYSA-N
-rxn:5:189676:226181:226152,COc1cc(C2CC2)cc(-c2ccc(CC(=O)N3CCCC3)cc2-c2ccc(C3=CCCCC3)nc2)c1C,VRZXEJRTTAVWEB-UHFFFAOYSA-N
-rxn:5:189718:223138:227451,O=[N+]([O-])c1cc(-c2ccc(C3CC3(F)F)cc2)c(-c2ccnc(C3CCNCC3)c2)cc1OC1CCOCC1,XAJFPHDQGMBILY-UHFFFAOYSA-N
-rxn:5:189718:226172:228241,CC(=O)c1cc(-c2cc([N+](=O)[O-])c(OC3CCOCC3)cc2-c2cc(N3CCCC3)ccc2C)ccc1F,JMCYUMJOAOPORS-UHFFFAOYSA-N
-rxn:5:189718:226320:228879,N#CC1(c2ccc(F)c(-c3cc(OC4CCOCC4)c([N+](=O)[O-])cc3-c3ccnn3C3COC3)c2)CC1,CNYCHAATTJUYPW-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:5:189777:225576:225461,Cc1cc(N2CCCCC2)ccc1-c1ccc(CCN2CCCC2)c(-c2ccc(N3CCCC3)c(C#N)c2)c1,HZZOBTDGKOYLGX-UHFFFAOYSA-N
-rxn:5:189826:225976:228099,CCN(C)c1cncc(-c2ccc(CC(=O)N3CCOCC3)c(-c3ccnc(N4CCOCC4)c3F)c2)c1,XHRLIBDGPIUTAY-UHFFFAOYSA-N
-rxn:5:189826:227575:225407,COc1ccc(OC)c(-c2cc(-c3ccc(C4CCCCCC4)cc3)ccc2CC(=O)N2CCOCC2)c1F,JOOXMESTQFUTIL-UHFFFAOYSA-N
-rxn:5:189826:228694:225976,CCN(C)c1csc(-c2cc(-c3ccnc(N4CCOCC4)c3F)ccc2CC(=O)N2CCOCC2)c1,YDXOUMSXRMFWDA-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:5:189827:228012:226835,CC(C)n1nc(C(F)(F)F)cc1-c1ccc(CC(=O)N2CCOCC2)cc1-c1cccc(F)c1C1CC1,VCICNJVJICSVEM-UHFFFAOYSA-N
-rxn:5:189829:225814:226185,COc1c(-c2ccc(C3CCOCC3)cc2)cc(C(=O)N2CCCC2)cc1-c1cccc(C2(C(F)(F)F)CC2)c1,KIINGWFOXFROCA-UHFFFAOYSA-N
-rxn:5:189908:227449:227803,CN(C)S(=O)(=O)n1nccc1-c1ncc(-c2ccc(C3CCOCC3)s2)cc1OCC1CCCCC1,WPYZGOUAKVPSMP-UHFFFAOYSA-N
-rxn:5:189909:223061:225833,Fc1cnc(C2CCNCC2)cc1-c1ccc(-c2ccnc(N3CCCCC3)c2F)cc1CCN1CCOCC1,SVCHEYSKIVABIN-UHFFFAOYSA-N
-rxn:5:189952:225833:226644,COc1c(-c2cncc(N3CCOCC3)c2)cc(C(=O)N2CCOCC2)cc1-c1ccnc(N2CCCCC2)c1F,VHZCAWLRKLPYHX-UHFFFAOYSA-N
-rxn:5:189952:225976:223065,COc1c(-c2ccc(N3CCNCC3)cc2F)cc(C(=O)N2CCOCC2)cc1-c1ccnc(N2CCOCC2)c1F,UUCRHYGFDDMVOC-UHFFFAOYSA-N
-rxn:5:189952:225978:226645,COc1c(-c2ccnc(N3CCOCC3)c2)cc(C(=O)N2CCOCC2)cc1-c1ccc(N2CCOCC2)nc1F,KUUKPHRLFUUNAT-UHFFFAOYSA-N
-rxn:5:190128:225874:227546,COC(=O)c1cccc(-c2cc(C(=O)N3CCC(OC)CC3)ccc2-c2ccc(F)c(N3CCOCC3)c2)c1F,VBXZSVJJBZWZIQ-UHFFFAOYSA-N
-rxn:5:190131:228179:225945,COCc1cc(F)cc(-c2cc(C(=O)N3CCCCC3)cc(-c3ccc(C#CC(F)(F)F)c(F)c3)c2OC)c1,VQDZGMXZWIKRMM-UHFFFAOYSA-N
-rxn:5:190132:227561:227052,COc1cc(F)c(-c2ccc(C(=O)N3CCC(OC)CC3)c(-c3ccc(SC(C)(C)C)cc3)c2)cc1OC,RJSLHJQTHDGPCZ-UHFFFAOYSA-N
-rxn:5:190132:228098:226187,CCN(C)c1ccc(-c2ccc(C(=O)N3CCC(OC)CC3)c(-c3cccc(C4CCOCC4)c3)c2)cn1,IRUXLVAABNHBRM-UHFFFAOYSA-N
-rxn:5:190194:226778:227052,COc1cc(-c2cccc(CN3CCC(OC)CC3)c2-c2ccc(SC(C)(C)C)cc2)c(F)c(F)c1OC,CYTSXAZXAUCSRU-UHFFFAOYSA-N
-rxn:5:190195:222417:225784,CC(C)c1[nH]c(=O)ncc1-c1ccc(CN(C)C2CCOCC2)cc1-c1ccc(CN2CCOCC2)nc1,UOOQGBMUTBGKRH-UHFFFAOYSA-N
-rxn:5:190195:222417:225976,CC(C)c1[nH]c(=O)ncc1-c1ccc(CN(C)C2CCOCC2)cc1-c1ccnc(N2CCOCC2)c1F,DUAOJBLGZNLBAD-UHFFFAOYSA-N
-rxn:5:190195:223062:222417,CC(C)c1[nH]c(=O)ncc1-c1cc(CN(C)C2CCOCC2)ccc1-c1cnc(C2CCNCC2)cc1F,IIRFUVMKAJAZQO-UHFFFAOYSA-N
-rxn:5:190195:225886:225498,CN(Cc1ccc(-c2ccc3c(ccn3S(C)(=O)=O)c2)c(-c2cc(C3CCCCC3)ccc2F)c1)C1CCOCC1,OGYSSRYBBFOJGB-UHFFFAOYSA-N
-rxn:5:190195:225982:227960,CN(Cc1ccc(-c2cnc(N3CCOCC3)cc2F)c(-c2ccncc2C2CCC2)c1)C1CCOCC1,VTXNSWXBWBBBRK-UHFFFAOYSA-N
-rxn:5:190195:226679:226644,CN(Cc1ccc(-c2cnc(N3CCCC3)cc2F)c(-c2cncc(N3CCOCC3)c2)c1)C1CCOCC1,VAPSPZYFOKVAGH-UHFFFAOYSA-N
-rxn:5:190195:228653:225849,CN(Cc1ccc(-c2cnn3c2CCCC3)c(-c2cnc(N3CCCCC3)cc2F)c1)C1CCOCC1,GERWTDBBSAHQAM-UHFFFAOYSA-N
-rxn:5:190196:223017:222986,COC(=O)c1cccc2cc(-c3ccc(CN(C)C4CCOCC4)c(-c4cc(C)nc(C5CCCNC5)c4)c3)[nH]c12,ZYLCSPDQTLZBFK-UHFFFAOYSA-N
-rxn:5:190196:223062:228172,CCOc1cccc(-c2cc(-c3cnc(C4CCNCC4)cc3F)ccc2CN(C)C2CCOCC2)c1F,JQVPGKDDFUTXFT-UHFFFAOYSA-N
-rxn:5:190196:223062:228480,CN(Cc1ccc(-c2cnc(C3CCNCC3)cc2F)cc1-c1cc(F)ccc1[N+](=O)[O-])C1CCOCC1,CRBWPCOMGQDKTB-UHFFFAOYSA-N
-rxn:5:190196:223062:228487,CN(Cc1ccc(-c2cnc(C3CCNCC3)cc2F)cc1-c1cccc(F)c1[N+](=O)[O-])C1CCOCC1,DUNACQVYTRLFQB-UHFFFAOYSA-N
-rxn:5:190196:223064:228480,CN(Cc1ccc(-c2ccc(C3CCNCC3)nc2F)cc1-c1cc(F)ccc1[N+](=O)[O-])C1CCOCC1,FOVUMABLWLQYNC-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:5:190197:227316:223113,CC(C)Cc1cc(-c2cc(-c3ccc4c(c3)C(C)(C)C(=O)N4)ccc2CN(C)C2CCOCC2)cc(F)n1,ZWBREUCFJQTKFD-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:5:190198:223061:228480,CN(Cc1c(-c2cc(C3CCNCC3)ncc2F)cccc1-c1cc(F)ccc1[N+](=O)[O-])C1CCOCC1,LVAOTFVLPXWVDX-UHFFFAOYSA-N
-rxn:5:190198:223063:228480,CN(Cc1c(-c2cc(F)nc(C3CCNCC3)c2)cccc1-c1cc(F)ccc1[N+](=O)[O-])C1CCOCC1,KMUBAJWGAIJFHT-UHFFFAOYSA-N
-rxn:5:190199:222417:225598,CC(C)c1[nH]c(=O)ncc1-c1ccc(-c2cccc(CN3CCSCC3)c2)cc1CN(C)C1CCOCC1,RWOZKFDSIOCBQD-UHFFFAOYSA-N
-rxn:5:190199:223062:227904,CCN(C)c1ccc(-c2ccc(-c3cnc(C4CCNCC4)cc3F)c(CN(C)C3CCOCC3)c2)cc1,CDRGZJYSVXZTPG-UHFFFAOYSA-N
-rxn:5:190199:223062:228693,CCN(C)c1ccc(-c2ccc(-c3cnc(C4CCNCC4)cc3F)c(CN(C)C3CCOCC3)c2)s1,HIXXWASBWZHGNN-UHFFFAOYSA-N
-rxn:5:190199:223062:228694,CCN(C)c1csc(-c2ccc(-c3cnc(C4CCNCC4)cc3F)c(CN(C)C3CCOCC3)c2)c1,KYUQLIJFQZTGRR-UHFFFAOYSA-N
-rxn:5:190199:223064:228099,CCN(C)c1cncc(-c2ccc(-c3ccc(C4CCNCC4)nc3F)c(CN(C)C3CCOCC3)c2)c1,MQALLSHTOSWQFC-UHFFFAOYSA-N
-rxn:5:190199:225671:228694,CCN(C)c1csc(-c2ccc(-c3cc(C4CCCCC4)ncc3F)c(CN(C)C3CCOCC3)c2)c1,BHWQWJYGUAEGQP-UHFFFAOYSA-N
-rxn:5:190199:225820:228220,CC(C)c1cc(-c2ccc(-c3c(C4CC4)cccc3C(F)(F)F)c(CN(C)C3CCOCC3)c2)c(F)cn1,HLROCDBBGUATKA-UHFFFAOYSA-N
-rxn:5:190199:225833:228693,CCN(C)c1ccc(-c2ccc(-c3ccnc(N4CCCCC4)c3F)c(CN(C)C3CCOCC3)c2)s1,OWDYQGWWJMODEB-UHFFFAOYSA-N
-rxn:5:190199:225834:228694,CCN(C)c1csc(-c2ccc(-c3cc(N4CCCCC4)ncc3F)c(CN(C)C3CCOCC3)c2)c1,WLQFBKZDDTYCMV-UHFFFAOYSA-N
-rxn:5:190199:225978:222417,CC(C)c1[nH]c(=O)ncc1-c1ccc(-c2ccc(N3CCOCC3)nc2F)c(CN(C)C2CCOCC2)c1,AOUFIWVFULKKLC-UHFFFAOYSA-N
-rxn:5:190199:228480:223064,CN(Cc1cc(-c2ccc(C3CCNCC3)nc2F)ccc1-c1cc(F)ccc1[N+](=O)[O-])C1CCOCC1,PZJYRBFNHJTOGI-UHFFFAOYSA-N
-rxn:5:190199:228487:223061,CN(Cc1cc(-c2cc(C3CCNCC3)ncc2F)ccc1-c1cccc(F)c1[N+](=O)[O-])C1CCOCC1,OFLNZEXLIBSQFO-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:5:190201:223113:223065,CC1CN(CCc2cc(-c3ccc4c(c3)C(C)(C)C(=O)N4)ccc2-c2ccc(N3CCNCC3)cc2F)CCO1,MHHMKKRKRLIQRI-UHFFFAOYSA-N
-rxn:5:190201:225655:223113,CC1CCN(c2cncc(-c3ccc(-c4ccc5c(c4)C(C)(C)C(=O)N5)c(CCN4CCOC(C)C4)c3)c2)CC1,NAPAYQKAWNLCPC-UHFFFAOYSA-N
-rxn:5:190201:225656:227552,CC1CN(CCc2cc(-c3cncc(N4CCCCC4C)c3)ccc2-c2ccccc2CC(F)(F)F)CCO1,NZBFRSYKWWYKBE-UHFFFAOYSA-N
-rxn:5:190201:225886:225988,CC1CN(CCc2cc(-c3ccc4c(ccn4S(C)(=O)=O)c3)ccc2-c2c(F)cc(C3OCCO3)cc2F)CCO1,KBAWNNFSMCYQHR-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:5:190231:226664:225982,COc1c(-c2cnc(N3CCOCC3)cc2F)cc(C(=O)N2CCOC(C)C2)cc1-c1cc(N2CCCC2)ncc1F,LAPQTKMBBFUCFX-UHFFFAOYSA-N
-rxn:5:190231:227826:227437,COc1c(-c2cccc(C(C)(C)C)c2)cc(C(=O)N2CCOC(C)C2)cc1-c1ccnc(C2CCCO2)c1,BRWCWWBYVNHAAR-UHFFFAOYSA-N
-rxn:5:190231:228486:226664,COc1c(-c2cc(F)cc([N+](=O)[O-])c2)cc(C(=O)N2CCOC(C)C2)cc1-c1cc(N2CCCC2)ncc1F,HMETYENXBKXMKT-UHFFFAOYSA-N
-rxn:5:190231:228565:226351,COc1c(-c2ccc(CSC)cc2)cc(C(=O)N2CCOC(C)C2)cc1-c1cc(C)c(F)c(OC(C)C)c1,YBACSZNAUKJYOZ-UHFFFAOYSA-N
-rxn:5:190264:225942:228477,CC1CCN(C(=O)Cc2ccc(-c3cnccc3C(F)(F)F)c(-c3cnc(C(C)C)c(C(F)(F)F)c3)c2)CC1,PQNRVJXLFNHSPW-UHFFFAOYSA-N
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-rxn:5:190265:227369:227313,CCC(C)c1cc(-c2ccc(CC(=O)N3CCCC(C)C3)cc2-c2cc(F)ccc2OC2CC2)c(F)cn1,UFFBXEMAQTYPDT-UHFFFAOYSA-N
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-rxn:5:191026:227989:226910,CC#Cc1ccc(F)c(-c2ccc3c(c2)N(c2ccc(C)c(-c4ccc(C(C)(C)CC)cc4)c2)C=C(C(=O)OC)S3(=O)=O)c1,JVAOTSHKRKRNQU-UHFFFAOYSA-N
-rxn:5:191026:228516:226058,CCc1cc(C)cc(-c2ccc3c(c2)N(c2ccc(C)c(-c4c(C(C)C)cccc4C(C)C)c2)C=C(C(=O)OC)S3(=O)=O)c1,KBXCZGALCQLILT-UHFFFAOYSA-N
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-rxn:5:191802:225607:222996,CC(c1ccc(-c2cc(-c3ccc(F)cc3C3CCCNC3)ccc2C=C[N+](=O)[O-])s1)N1CCCCC1,YNQYHHAXWRMLLA-UHFFFAOYSA-N
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-rxn:5:191802:225607:223002,CC(c1ccc(-c2cc(-c3ccc(C4CCNCC4)cc3F)ccc2C=C[N+](=O)[O-])s1)N1CCCCC1,XHSNIRJCNAADQM-UHFFFAOYSA-N
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-rxn:5:191802:225607:223008,CC(c1ccc(-c2cc(-c3cc(C4CCNCC4)ccc3F)ccc2C=C[N+](=O)[O-])s1)N1CCCCC1,CHQKIPLQDIXRBR-UHFFFAOYSA-N
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-rxn:5:192568:225623:225499,O=C(c1ccc(-c2ccc(C3CCCCC3)cc2F)cc1-c1cccc(OC2CCOCC2)c1)N1CCC1,NQIGUOAOYNTOQG-UHFFFAOYSA-N
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-rxn:5:193053:222989:222982,Cc1cc(N2CCNCC2)ccc1-c1cc(C(=O)N2CCCC2)cc(-c2ccc(CN3CC[C@@H](O)C3)cc2)c1,ABKXMAWKCAJFRD-WJOKGBTCSA-N
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-rxn:5:193382:223137:223201,O=S(=O)(c1ccc(-c2cncc(C3CCCNC3)c2)cc1-c1ccccc1C1CCNC1)N1CCOCC1,CZXZDRGXZBVWLE-UHFFFAOYSA-N
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-rxn:5:193382:223199:222956,Cc1ccc(-c2cc(-c3cccc(C4CCNC4)c3)ccc2S(=O)(=O)N2CCOCC2)c(C2CCCNC2)c1,RGGKUYZUISXBJV-UHFFFAOYSA-N
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-rxn:5:193382:223242:225684,Cc1nc(C2CCOCC2)ccc1-c1cc(-c2ccnc(C3CCNC3)c2)ccc1S(=O)(=O)N1CCOCC1,ZRJDYXDTVBOZMP-UHFFFAOYSA-N
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-rxn:5:193382:225880:222986,Cc1cc(-c2cc(-c3cc(C4CCOCC4)ncc3F)ccc2S(=O)(=O)N2CCOCC2)cc(C2CCCNC2)n1,RLFJTBCEMIBGCQ-UHFFFAOYSA-N
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-rxn:5:193382:225980:223200,O=S(=O)(c1ccc(-c2cc(N3CCOCC3)ncc2F)cc1-c1ccc(C2CCNC2)cc1)N1CCOCC1,RDVDFLVFKVKCCX-UHFFFAOYSA-N
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-rxn:5:193382:226413:223061,O=S(=O)(c1ccc(-c2cccc(N3CCOCC3)c2)cc1-c1cc(C2CCNCC2)ncc1F)N1CCOCC1,CFFXBKBOMVABFC-UHFFFAOYSA-N
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-rxn:5:193382:226643:223008,O=S(=O)(c1ccc(-c2ccc(N3CCOCC3)nc2)cc1-c1cc(C2CCNCC2)ccc1F)N1CCOCC1,JBMJZUGZRLVXNV-UHFFFAOYSA-N
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-rxn:5:193506:226427:227654,CC1CCN(c2csc(-c3ccc(S(=O)(=O)N4CCC(=O)CC4)c(-c4ccc(C5OCCO5)nc4)c3)c2)CC1,NHLLJNWEXPDQPR-UHFFFAOYSA-N
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-rxn:5:193506:228580:222958,Cc1ccc(-c2cc(-c3cccnc3C3CC3)ccc2S(=O)(=O)N2CCC(=O)CC2)cc1C1CCNCC1,LGIOOYSGQPWPSW-UHFFFAOYSA-N
-rxn:5:193537:225671:226649,Fc1cnc(C2CCCCC2)cc1-c1c(CN2CCCCC2)cccc1-c1cccnc1N1CCOCC1,YLFDZZJYRCPWAZ-UHFFFAOYSA-N
-rxn:5:193538:226185:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(CN2CCCCC2)cc1-c1ccc(C2CCOCC2)cc1,UNRDFFZLAFJQNE-UHFFFAOYSA-N
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-rxn:5:193710:225591:226338,O=C1C(=Cc2ccc(-c3ccnc(OC4CCCC4)c3)cc2)SC(=S)N1c1cccc(-c2cc(CN3CCCC3)ccc2F)c1,PCBZFEJUPOEARK-UHFFFAOYSA-N
-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:5:193748:225603:225886,CC1CCCN(C(=O)c2cc(-c3cccc(C4(C#N)CCC4)c3F)ccc2-c2ccc3c(ccn3S(C)(=O)=O)c2)C1,FVSSCUSGCIJDLO-UHFFFAOYSA-N
-rxn:5:193750:226158:225597,CC1CCN(C(=O)c2cc(-c3ccccc3N3CCCCC3)ccc2-c2ccc(OC3CCCCC3)nc2)CC1,SIAMXCFGUHTLQI-UHFFFAOYSA-N
-rxn:5:193753:225799:225703,COC(=O)c1cc2cc(-c3cc(C(=O)N4CCCCC4C)cc(-c4cncc(OC5CCOCC5)c4)c3)ccc2s1,VBEZFUZDWDUWAV-UHFFFAOYSA-N
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-rxn:5:193756:225600:228321,COC(=O)c1cncc(-c2cc(-c3cccnc3OC3CCCCC3)ccc2C(=O)N2CCCCC2C)c1,CSNKITWHQFHDND-UHFFFAOYSA-N
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-rxn:5:193756:225641:227968,CC1CCCN(c2cc(-c3ccc(C(=O)N4CCCCC4C)c(-c4cnccc4C4CCC4)c3)ccn2)C1,QBHBWFXINVXDJZ-UHFFFAOYSA-N
-rxn:5:193756:225652:226437,CC1CCCN(c2cncc(-c3ccc(C(=O)N4CCCCC4C)c(-c4cc(C5CCCC5)ncc4F)c3)c2)C1,LGCKGHBZVSGWKP-UHFFFAOYSA-N
-rxn:5:193756:225652:227089,CC1CCCN(c2cncc(-c3ccc(C(=O)N4CCCCC4C)c(-c4ccncc4C4CCCC4)c3)c2)C1,SKCMOFLELCTRCI-UHFFFAOYSA-N
-rxn:5:193756:225656:227377,CC1CCCCN1C(=O)c1ccc(-c2cncc(N3CCCCC3C)c2)cc1-c1cncnc1C1CCCC1,QEARPFIAJISHON-UHFFFAOYSA-N
-rxn:5:193756:225674:226588,CC1CCCCN1C(=O)c1ccc(-c2cnc(C3CCCCC3)cc2F)cc1-c1cc(OC2CCC2)ncc1F,NJAULPTVHMYWAQ-UHFFFAOYSA-N
-rxn:5:193756:225808:225652,CC1CCCN(c2cncc(-c3cc(-c4cc(OC5CCCC5)ncc4F)ccc3C(=O)N3CCCCC3C)c2)C1,XLUQONRBENCFOF-UHFFFAOYSA-N
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-rxn:5:193756:225819:225808,CC1CCCCN1C(=O)c1ccc(-c2cc(C(F)(F)F)ccc2C2CC2)cc1-c1cc(OC2CCCC2)ncc1F,VVBFMIRILLDDFA-UHFFFAOYSA-N
-rxn:5:193756:225834:225653,CC1CCCCN1C(=O)c1ccc(-c2cc(N3CCCCC3)ncc2F)cc1-c1ccc(N2CCCCC2C)nc1,PEVTWNTVFHZLQW-UHFFFAOYSA-N
-rxn:5:193756:225834:225938,CC1CCCCN1C(=O)c1ccc(-c2cc(N3CCCCC3)ncc2F)cc1-c1cc(C(F)(F)F)ncc1C1CC1,ASKVUJFEPQVNKT-UHFFFAOYSA-N
-rxn:5:193756:226177:222981,CC1CCCCN1C(=O)c1ccc(-c2ccnc(C3CCCCC3)c2)cc1-c1ccnc(NC2CCCCC2)c1,ATRXPWMDDDSYCY-UHFFFAOYSA-N
-rxn:5:193756:226182:227519,COC(=O)c1cc(C)c(-c2cc(-c3cccnc3C3CCCCC3)ccc2C(=O)N2CCCCC2C)cn1,NQIHGWGHDNWEPV-UHFFFAOYSA-N
-rxn:5:193756:226324:226844,CC1CCCCN1C(=O)c1ccc(-c2cccnc2OC2CCCC2)cc1-c1ccnc(C(=O)C(F)(F)F)c1,MHVHGEVFRIBNBA-UHFFFAOYSA-N
-rxn:5:193756:226664:225808,CC1CCCCN1C(=O)c1ccc(-c2cc(N3CCCC3)ncc2F)cc1-c1cc(OC2CCCC2)ncc1F,ZHDBKSNMYVQRLQ-UHFFFAOYSA-N
-rxn:5:193756:226679:225600,CC1CCCCN1C(=O)c1ccc(-c2cnc(N3CCCC3)cc2F)cc1-c1cccnc1OC1CCCCC1,WCZBHVJPJFENLU-UHFFFAOYSA-N
-rxn:5:193756:226679:225641,CC1CCCN(c2cc(-c3cc(-c4cnc(N5CCCC5)cc4F)ccc3C(=O)N3CCCCC3C)ccn2)C1,NDHBGWNNTNCPFX-UHFFFAOYSA-N
-rxn:5:193756:226679:227701,COC(=O)c1cc(-c2cc(-c3cnc(N4CCCC4)cc3F)ccc2C(=O)N2CCCCC2C)c(F)cn1,HXXIOWPJGHSQIS-UHFFFAOYSA-N
-rxn:5:193756:226745:226745,CCc1ncc(C(F)(F)F)cc1-c1ccc(C(=O)N2CCCCC2C)c(-c2cc(C(F)(F)F)cnc2CC)c1,BHELTSIHBCXLMC-UHFFFAOYSA-N
-rxn:5:193756:226779:226438,CC1CCCCN1C(=O)c1ccc(-c2ccc(C(=O)C(F)(F)F)cc2)cc1-c1cnc(C2CCCC2)cc1F,FJLDJFYJADLANS-UHFFFAOYSA-N
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-rxn:5:193756:226842:225640,CC1CCCCN1C(=O)c1ccc(-c2cncc(C(=O)C(F)(F)F)c2)cc1-c1ccnc(N2CCCCC2C)c1,NNYSCIGZKBRMLP-UHFFFAOYSA-N
-rxn:5:193756:226842:225833,CC1CCCCN1C(=O)c1ccc(-c2cncc(C(=O)C(F)(F)F)c2)cc1-c1ccnc(N2CCCCC2)c1F,NFLYENPOOLESOI-UHFFFAOYSA-N
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-rxn:5:193756:227025:225636,CCc1ncc(C2CC2)cc1-c1ccc(C(=O)N2CCCCC2C)c(-c2ccnc(N3CCC(C)CC3)c2)c1,AUFWHGNGDFVGAJ-UHFFFAOYSA-N
-rxn:5:193756:227093:225819,CC1CCCCN1C(=O)c1ccc(-c2cccnc2C2CCCC2)cc1-c1cc(C(F)(F)F)ccc1C1CC1,BEBAEOFAOKEKHF-UHFFFAOYSA-N
-rxn:5:193756:227093:226438,CC1CCCCN1C(=O)c1ccc(-c2cccnc2C2CCCC2)cc1-c1cnc(C2CCCC2)cc1F,RZNMBKGGAFSYCP-UHFFFAOYSA-N
-rxn:5:193756:227387:225656,CC1CCCCN1C(=O)c1ccc(-c2ccnc(N3CCCC3)c2)cc1-c1cncc(N2CCCCC2C)c1,YSLOIUKUIFUYHA-UHFFFAOYSA-N
-rxn:5:193756:227387:226611,CCc1ccc(C(F)(F)F)cc1-c1cc(-c2ccnc(N3CCCC3)c2)ccc1C(=O)N1CCCCC1C,WDTJHNANAROQGM-UHFFFAOYSA-N
-rxn:5:193756:227413:225674,CC1CCCCN1C(=O)c1ccc(-c2cnc(C3CCC3)cc2F)cc1-c1cnc(C2CCCCC2)cc1F,QBVKHNXEALZIRN-UHFFFAOYSA-N
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-rxn:5:193968:226774:228206,CN(C)c1cc(F)cc(-c2ccc(-c3ccc(OC(F)=C(F)F)cc3)cc2CN2CCC3(CC2)OCCO3)c1,FABOWCFSCCNEJB-UHFFFAOYSA-N
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-rxn:5:194398:225986:226649,O=C(c1ccc(-c2ccccc2N2CCCS2(=O)=O)cc1-c1cccnc1N1CCOCC1)N1CC2CC2C1,QFKXWNNDUYEHST-UHFFFAOYSA-N
-rxn:5:194399:225987:227449,O=C(c1ccc(-c2ccc(N3CCCS3(=O)=O)cc2)c(-c2ccc(C3CCOCC3)s2)c1)N1CC2CC2C1,WPVFZYYJUXXHGC-UHFFFAOYSA-N
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-rxn:5:194688:226395:226395,COc1cc(-c2cncc(N3CCCCC3)c2)cc2c1OCC(=O)N(c1ccc(-c3cncc(N4CCCCC4)c3)cc1)C2,IXTTWAGOMJMYJH-UHFFFAOYSA-N
-rxn:5:194688:226664:223065,COc1cc(-c2ccc(N3CCNCC3)cc2F)cc2c1OCC(=O)N(c1ccc(-c3cc(N4CCCC4)ncc3F)cc1)C2,HTGOQGBNSWEAFK-UHFFFAOYSA-N
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-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
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-rxn:5:194767:222417:223062,CC(C)c1[nH]c(=O)ncc1-c1ccc(-c2cnc(C3CCNCC3)cc2F)c(C(=O)N2CCCC3(C2)OC(=O)c2ccccc23)c1,WMELWLDUTNPFND-UHFFFAOYSA-N
-rxn:5:194767:223058:227376,O=C1OC2(CCCN(C(=O)c3cc(-c4cc(F)nc(C5CCCNC5)c4)ccc3-c3cncc(N4CCCC4)c3)C2)c2ccccc21,HIDJXXYSBIOEMN-UHFFFAOYSA-N
-rxn:5:194767:223064:223378,O=C1OC2(CCCN(C(=O)c3cc(-c4ccc(C5CCNCC5)nc4F)ccc3-c3cnc4c(c3)NCCO4)C2)c2ccccc21,PKJPOZJDHLEQSD-UHFFFAOYSA-N
-rxn:5:194767:223141:223141,O=C1OC2(CCCN(C(=O)c3cc(-c4cncc(C5CCNCC5)c4)ccc3-c3cncc(C4CCNCC4)c3)C2)c2ccccc21,GVADIISRMZXWSF-UHFFFAOYSA-N
-rxn:5:194767:226644:225834,O=C1OC2(CCCN(C(=O)c3cc(-c4cncc(N5CCOCC5)c4)ccc3-c3cc(N4CCCCC4)ncc3F)C2)c2ccccc21,PXJFQVWSDJXDMU-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:5:194767:226931:225832,Cc1ccc2ncccc2c1-c1ccc(-c2c(C)nn(C3CCCCO3)c2C)c(C(=O)N2CCCC3(C2)OC(=O)c2ccccc23)c1,YRJJWFRTTTXHON-UHFFFAOYSA-N
-rxn:5:194767:227496:228878,CCN(C)c1cc(F)c(-c2ccc(-c3cnn(C4COC4)c3)c(C(=O)N3CCCC4(C3)OC(=O)c3ccccc34)c2)cn1,SCFIJKSCKOSIRZ-UHFFFAOYSA-N
-rxn:5:194767:227548:225811,CCOc1ccc(F)c(F)c1-c1ccc(-c2ccc(C3(C(F)(F)F)CC3)cc2)c(C(=O)N2CCCC3(C2)OC(=O)c2ccccc23)c1,UYOMSFNIPLKQDK-UHFFFAOYSA-N
-rxn:5:194767:228366:223061,CN(C)c1ncc(-c2ccc(-c3cc(C4CCNCC4)ncc3F)c(C(=O)N3CCCC4(C3)OC(=O)c3ccccc34)c2)cc1F,QAGQYDDNTXKHOQ-UHFFFAOYSA-N
-rxn:5:194767:228366:223063,CN(C)c1ncc(-c2ccc(-c3cc(F)nc(C4CCNCC4)c3)c(C(=O)N3CCCC4(C3)OC(=O)c3ccccc34)c2)cc1F,ZLDITACOIQZBKK-UHFFFAOYSA-N
-rxn:5:194767:228366:225976,CN(C)c1ncc(-c2ccc(-c3ccnc(N4CCOCC4)c3F)c(C(=O)N3CCCC4(C3)OC(=O)c3ccccc34)c2)cc1F,BOXIDBUOTQYOFT-UHFFFAOYSA-N
-rxn:5:194767:228878:227495,CCN(C)c1cc(-c2ccc(-c3cnn(C4COC4)c3)cc2C(=O)N2CCCC3(C2)OC(=O)c2ccccc23)c(F)cn1,IKUJKUFCESLKLU-UHFFFAOYSA-N
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-rxn:5:194767:228879:227495,CCN(C)c1cc(-c2ccc(-c3ccnn3C3COC3)cc2C(=O)N2CCCC3(C2)OC(=O)c2ccccc23)c(F)cn1,XHZGTZQOGNYMFH-UHFFFAOYSA-N
-rxn:5:194767:228879:227496,CCN(C)c1cc(F)c(-c2ccc(-c3ccnn3C3COC3)cc2C(=O)N2CCCC3(C2)OC(=O)c2ccccc23)cn1,KHKNHTOWHFVYIX-UHFFFAOYSA-N
-rxn:5:194782:227131:227660,Cc1ccc(C(F)(F)F)cc1-c1ccc(-c2cccc(C3CCOC3)c2)cc1C(=O)N1CCC2(CC1)CC(=O)c1ccccc1O2,VDPYGIOECBGCMI-UHFFFAOYSA-N
-rxn:5:194786:226041:226662,CN1CCN(c2ccc(-c3ccc(-n4c(-c5ccc(-c6c([N+](=O)[O-])cccc6C(F)(F)F)cc5)cc5c4CC(C)(C)CC5=O)cc3)s2)CC1,XSSFLHXEDWMDFQ-UHFFFAOYSA-N
-rxn:5:194791:227288:226177,CN(C)C(=O)c1ccccc1-c1ccccc1N1C(=O)C2C(c3ccc(-c4ccnc(C5CCCCC5)c4)cc3)OC3(C(=O)c4ccccc4C3=O)C2C1=O,SKNMHMINTVRDPR-UHFFFAOYSA-N
-rxn:5:194791:227350:228363,COc1cc(C)cc(OC)c1-c1ccccc1N1C(=O)C2C(c3ccc(-c4cnc(N(C)C)cc4F)cc3)OC3(C(=O)c4ccccc4C3=O)C2C1=O,NFUBQBPIJGYWAB-UHFFFAOYSA-N
-rxn:5:194791:227920:228127,CCC(=O)c1ccc(-c2ccccc2N2C(=O)C3C(c4ccc(-c5c(C#N)cccc5OC)cc4)OC4(C(=O)c5ccccc5C4=O)C3C2=O)cc1,NYOKUWAQGCONEL-UHFFFAOYSA-N
-rxn:5:194792:223188:226424,CNc1cc(C(F)(F)F)c(-c2ccc(C3OC4(C(=O)c5ccccc5C4=O)C4C(=O)N(c5ccc(-c6cc(N7CCCC(C)C7)cs6)cc5)C(=O)C34)cc2)cn1,NCUUZGHLGLEPEG-UHFFFAOYSA-N
-rxn:5:194792:226349:226401,CC(C)(C)Oc1cc(F)cc(-c2ccc(C3OC4(C(=O)c5ccccc5C4=O)C4C(=O)N(c5ccc(-c6cccc(-c7cnccn7)c6)cc5)C(=O)C34)cc2)c1,YZRGAPLBAMENRB-UHFFFAOYSA-N
-rxn:5:194792:227819:223145,CCc1cc(CC)cc(-c2ccc(C3OC4(C(=O)c5ccccc5C4=O)C4C(=O)N(c5ccc(-c6ccc(C7CCC(=O)N7)cc6)cc5)C(=O)C34)cc2)c1,UYKDAJOGJMWORM-UHFFFAOYSA-N
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-rxn:5:194792:228714:227117,Cc1cc(C#N)ncc1-c1ccc(C2OC3(C(=O)c4ccccc4C3=O)C3C(=O)N(c4ccc(-c5cc(C6CC6)cc(C)c5F)cc4)C(=O)C23)cc1,LRZXZYAIIRRKBW-UHFFFAOYSA-N
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-rxn:5:196791:226588:226583,O=C1COCCN1c1cccc(-c2cc(OC3CCC3)ncc2F)c1-c1ccc(CN2CCOCC2)s1,IZOURGWFKAJMNK-UHFFFAOYSA-N
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-rxn:5:196794:225976:225784,O=C1COCCN1c1cc(-c2ccnc(N3CCOCC3)c2F)ccc1-c1ccc(CN2CCOCC2)nc1,MGRHMXYNBHRQHE-UHFFFAOYSA-N
-rxn:5:196794:225978:225655,CC1CCN(c2cncc(-c3ccc(-c4ccc(N5CCOCC5)nc4F)cc3N3CCOCC3=O)c2)CC1,FGUOIBZPPLCAMH-UHFFFAOYSA-N
-rxn:5:196794:226644:223061,O=C1COCCN1c1cc(-c2cncc(N3CCOCC3)c2)ccc1-c1cc(C2CCNCC2)ncc1F,RLVYRKPMJQWIQW-UHFFFAOYSA-N
-rxn:5:196859:223138:225832,Cc1nn(C2CCCCO2)c(C)c1-c1nccc(C2CCOCC2)c1-c1ccnc(C2CCNCC2)c1,PAYYJLIZNRDNCI-UHFFFAOYSA-N
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-rxn:5:196873:223065:223065,Fc1cc(N2CCNCC2)ccc1-c1ccc(N2CCOCC2)cc1-c1ccc(N2CCNCC2)cc1F,UHCZEYQUIZQLCH-UHFFFAOYSA-N
-rxn:5:196969:225661:226686,Cc1cc(N2CCOCC2)ccc1-c1cnc(C2CCCCC2)cc1-c1c(C)cnn1C1CCCCO1,OULBAFYMKIWQJY-UHFFFAOYSA-N
-rxn:5:196970:225938:225800,O=C(c1ccc(-c2nccc(C3CCCCC3)c2-c2cc(C(F)(F)F)ncc2C2CC2)cc1)N1CCSC1,ADWZISNHHXDKDU-UHFFFAOYSA-N
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-rxn:5:197876:226059:223313,CC(C)c1ccc(-c2cc3c(cc2-c2ccc(C4(O)CC4)cc2)C(=O)N(C(C)(C)C)S3(=O)=O)c(C(C)C)c1,UTBOPKCIDTZOKT-UHFFFAOYSA-N
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-rxn:5:197876:226068:227677,Cc1ccc(C(F)(F)F)c(-c2cc3c(cc2-c2c(C)cc(C(C)(C)C)cc2C)S(=O)(=O)N(C(C)(C)C)C3=O)c1,OHYACAJHBDASDR-UHFFFAOYSA-N
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-rxn:5:197876:226432:227024,CC(c1cccc(-c2cc3c(cc2-c2ccc(C4CCCC4)nc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1)N(C)C,ZZICFQJPFHXERL-UHFFFAOYSA-N
-rxn:5:197876:226437:227914,CC(C)Oc1ccccc1-c1cc2c(cc1-c1cc(C3CCCC3)ncc1F)S(=O)(=O)N(C(C)(C)C)C2=O,VVKITGHEFMSXGD-UHFFFAOYSA-N
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-rxn:5:197876:226601:227901,CC(C)Cc1ccc(-c2cc3c(cc2-c2c(OC(C)C)ccc(F)c2F)S(=O)(=O)N(C(C)(C)C)C3=O)cn1,RXJDGPDAPIJUJE-UHFFFAOYSA-N
-rxn:5:197876:226611:226921,CCc1ccc(C(F)(F)F)cc1-c1cc2c(cc1-c1cc(C3CC3)c(C)cc1C)C(=O)N(C(C)(C)C)S2(=O)=O,IUWLHRORLGRGNH-UHFFFAOYSA-N
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-rxn:5:197876:226761:227963,CSc1ccc(-c2cc3c(cc2-c2ccnc(C(C)(C)C)c2)C(=O)N(C(C)(C)C)S3(=O)=O)c(C(F)(F)F)c1,PFZCTMDSPWMXPU-UHFFFAOYSA-N
-rxn:5:197876:226762:227039,CSc1cc(-c2cc3c(cc2-c2ccc(OC(C)(C)C)cc2)C(=O)N(C(C)(C)C)S3(=O)=O)cc(C(F)(F)F)c1,UGEOQFBIISZPIA-UHFFFAOYSA-N
-rxn:5:197876:226762:227510,CSc1cc(-c2cc3c(cc2-c2ccc(OC(C)C)nc2F)C(=O)N(C(C)(C)C)S3(=O)=O)cc(C(F)(F)F)c1,QYSLVIAZMFUVNJ-UHFFFAOYSA-N
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-rxn:5:197876:226766:227045,Cc1ccc(OC(F)(F)F)c(-c2cc3c(cc2-c2cccc(SC(C)(C)C)c2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,IRJLAUDBIJNYGD-UHFFFAOYSA-N
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-rxn:5:197876:226768:226917,CSc1ccc(-c2cc3c(cc2-c2cc(C)cc(C(C)(C)C)c2)C(=O)N(C(C)(C)C)S3(=O)=O)cc1C(F)(F)F,PCGWYKNARMVZKS-UHFFFAOYSA-N
-rxn:5:197876:226768:227047,CSc1ccc(-c2cc3c(cc2-c2cccc(SC4CCC4)c2)C(=O)N(C(C)(C)C)S3(=O)=O)cc1C(F)(F)F,MFWKDJSMTBHCMK-UHFFFAOYSA-N
-rxn:5:197876:226826:228869,COC(=O)c1cc(-c2cc3c(cc2-c2cc(C)cc(C(F)(F)F)c2F)S(=O)(=O)N(C(C)(C)C)C3=O)cs1,LFSKFIKIBPRCPO-UHFFFAOYSA-N
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-rxn:5:197876:226891:227945,Cc1cc(-c2cc3c(cc2-c2cc(C(F)(F)F)cc(F)c2F)S(=O)(=O)N(C(C)(C)C)C3=O)ccc1N(C)C,MRQGLJJKOPGDBX-UHFFFAOYSA-N
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-rxn:5:197876:226912:226735,Cc1cc(CC(C)C)cc(-c2cc3c(cc2-c2cc(C#N)cc(C(F)(F)F)c2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,IDNOAWCIPBJFEL-UHFFFAOYSA-N
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-rxn:4:174888:223481,CCOC(=O)Cc1cc(-c2ccc(S(=O)(=O)N3CCC(O[Si](C)(C)C(C)(C)C)CC3)cc2F)cc(F)c1F,XLGRDOVJKSBLMB-UHFFFAOYSA-N
-rxn:4:174918:223898,COC(=O)c1ccc(Cl)c(-c2ccc(N(C(=O)OC(C)(C)C)C(C)C)cc2)c1C(=O)OC,GDRSAGGLHHLYBO-UHFFFAOYSA-N
-rxn:4:175079:223840,CCOc1cc(C(=O)OC)c(F)cc1-c1ccc(OC)c(S(=O)(=O)N2CCN(C)CC2)c1,CHBZWWVNZKKAON-UHFFFAOYSA-N
-rxn:4:175270:222584,CCOC(=O)c1ccc(-c2ccc(OCCCN3CCNCC3)c(F)c2)cc1S(C)(=O)=O,DFUGQOJGUFMTFP-UHFFFAOYSA-N
-rxn:4:175272:224834,CC(C)OC(=O)c1cc(C(F)(F)F)ccc1-c1cn(S(=O)(=O)N(C)C)nc1C(F)(F)F,XXTIPWGJVGNVEG-UHFFFAOYSA-N
-rxn:4:175352:223929,COC(=O)c1cc(F)cc(-c2cnc3c(c2)CCN(C(=O)OC(C)(C)C)C3)c1OC(C)C,ANQCWZXJJACAIJ-UHFFFAOYSA-N
-rxn:4:175428:222514,COc1ccc(-c2cc(S(C)(=O)=O)ccc2OCC2CC2)cc1S(=O)(=O)NC1CCCCC1,DWIHAQBBMMQKPT-UHFFFAOYSA-N
-rxn:4:175523:223505,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(-c3cc(OCC(=O)C(C)(C)C)ccc3F)cc2)CC1,IFVNPGMRLVHKSG-UHFFFAOYSA-N
-rxn:4:175691:224291,O=C(c1ccc(-c2ccc(OCCN3CCOCC3)c(F)c2)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,PFGLJUGERBZKIP-UHFFFAOYSA-N
-rxn:4:175793:223597,COC(=O)c1cccc(-c2ccc(-c3ccc(OCCN4CCC5(CC4)OCCO5)c(Cl)c3)c(C(F)(F)F)c2)c1,DISFOODCPZTXBK-UHFFFAOYSA-N
-rxn:4:175800:223835,COC(=O)c1cc(-c2ccc(C(F)(F)F)cc2)ccc1-c1cc(S(=O)(=O)N2CCC(C)CC2)c(C)cc1F,LTHAFVFDUNFOGW-UHFFFAOYSA-N
-rxn:4:175940:224752,C#Cc1cc(F)c(OCC2CCCCC2)c(-c2ccc(S(=O)(=O)N3CCCC3)cc2C)c1,MPZVRLLBUUYKRY-UHFFFAOYSA-N
-rxn:4:176091:224153,CC(C)(C)[Si](C)(C)OCc1ccc(Cl)cc1-c1cc(N2CCCC2)cc(N2CCCC2)c1,SAFYUEMMUZEVQD-UHFFFAOYSA-N
-rxn:4:176131:224162,CC(C)(C)OC(=O)N1CCc2ccc(-c3cc(SC(C)(C)C)cc(SC(C)(C)C)c3)cc21,MUJZXXDQWZASCC-UHFFFAOYSA-N
-rxn:4:176375:223592,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cc(Cl)ccc3OCC(F)F)c(Cl)c2)CC1,IDPQOBGULUOYMA-UHFFFAOYSA-N
-rxn:4:177203:223597,CCc1cc(C(=O)OC)c(F)c(-c2ccc(OCCN3CCC4(CC3)OCCO4)c(Cl)c2)c1,AQYHCQKHIYZDKP-UHFFFAOYSA-N
-rxn:4:178025:223941,COc1cc(C2OCCO2)cc(-c2ccc3c(c2)CC(=O)N3C(=O)OC(C)(C)C)c1OC,UPDAFYPOKOMGEZ-UHFFFAOYSA-N
-rxn:4:178207:223506,Cc1ccccc1S(=O)(=O)Cc1ccc(-c2cccc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)c(F)c1,SSQYFNBKLBAFBE-UHFFFAOYSA-N
-rxn:4:178358:223598,Fc1cc(-c2ccc(-c3ccc(OC4CCCC4)cc3)cc2)ccc1OCCN1CCC2(CC1)OCCO2,JABWWONHMYEEQZ-UHFFFAOYSA-N
-rxn:4:178381:222759,Cc1cc(NC(=O)OC(C)(C)C)cc(-c2c(C(C)(C)C)cc(C(C)(C)C)cc2C(C)(C)C)c1,NRXBKIFYWTUDGQ-UHFFFAOYSA-N
-rxn:4:178384:225896,COCCOc1cc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c(F)cc1F,NAWCCSNUALDZBS-UHFFFAOYSA-N
-rxn:4:178597:227909,CCC(C)c1cc(-c2ccc(OC(=O)C3OC4OC(C)(C)OC4C4OC(C)(C)OC34)cc2)ccn1,HPJQBRUKKYAIAY-UHFFFAOYSA-N
-rxn:4:179412:223559,COc1cc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)c(C(C)=O)cc1Cl,LWFQCCHBXHUIKQ-UHFFFAOYSA-N
-rxn:4:180027:223811,COc1c(-c2ccc(CN3CCC4(CC3)OCCO4)c(Cl)c2)cc(F)cc1C1OCCO1,OADNPRNXUDWKNQ-UHFFFAOYSA-N
-rxn:4:180269:223842,COc1ccc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC(C)CC2)cc1C1SCCCS1,LVCGOCYRLJPSNB-UHFFFAOYSA-N
-rxn:4:180538:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3ccc4sc(C(=O)C(F)(F)F)cc4c3)cc21,YDGVAYGCKPQDAI-UHFFFAOYSA-N
-rxn:4:180611:224416,O=C1c2cc(-c3cnc(C(F)(F)C(F)(F)C(F)(F)F)nc3)ccc2CC1C(=O)C(F)(F)F,QHTDCSKQGSCCJX-UHFFFAOYSA-N
-rxn:4:182372:224649,CO[C@H]1CC[C@]2(CC1)Cc1ccc(-c3cc(F)ccc3OCC3CCCCO3)cc1C2=O,JXYJFIVZLQLFQK-PEDFIOKHSA-N
-rxn:4:182376:222996,CO[C@H]1[C@H](C)C[C@@]2(Cc3ccc(-c4ccc(F)cc4C4CCCNC4)cc3C2=O)C[C@@H]1C,HUOJYIJWUOSSSG-NJFFTKJRSA-N
-rxn:4:182376:223755,CO[C@H]1[C@H](C)C[C@@]2(Cc3ccc(-c4ccc(OCCCN5CCC(C)CC5)c(F)c4)cc3C2=O)C[C@@H]1C,ZPYYXEVVIJXTRV-AJSVQCCXSA-N
-rxn:4:183273:227089,c1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c(C2CCCC2)cn1,WNDURJAFAINFDQ-UHFFFAOYSA-N
-rxn:4:183687:224420,CCN(CC)C(=O)c1cc(C(=O)OC)cc(-c2cc3c(cc2C)C(C)(C)CCC3(C)C)c1,GOUUTISXISFZJG-UHFFFAOYSA-N
-rxn:4:183704:223508,O=C(OC(F)(F)F)N1CCC[C@H]1COc1ccc(-c2ccc(N3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)nc2)cc1F,LRBVSHDMYGFYBU-QFIPXVFZSA-N
-rxn:4:183704:224371,COC(=O)C1CCN(c2ncc(-c3ccc(OC[C@@H]4CCCN4C(=O)OC(F)(F)F)c(F)c3)cn2)CC1,PXSGVTBIRJDZIA-SFHVURJKSA-N
-rxn:4:183704:224826,CCOC(=O)c1cc(-c2ccc(OC[C@@H]3CCCN3C(=O)OC(F)(F)F)c(F)c2)cnc1C(F)(F)F,RPZUMWSPNGRCAB-AWEZNQCLSA-N
-rxn:4:183743:223572,CCCCOc1cc(-c2ccc(S(=O)(=O)N3CCC(C)CC3)c3ccccc23)ccc1C(=O)N1CCC1,ZIFMQJPJJKKNOD-UHFFFAOYSA-N
-rxn:4:183743:223832,CCCCOc1cc(-c2cc(S(=O)(=O)N3CCC(C)CC3)ccc2OC)ccc1C(=O)N1CCC1,WNAFRRHEHSEZSM-UHFFFAOYSA-N
-rxn:4:183829:224400,CC(C)(C)OC(=O)N(Cc1cc(-c2ccc(N3CCOCC3)c(C(F)(F)F)c2)ccc1F)C1CC1,MXCULRDTNXWVLC-UHFFFAOYSA-N
-rxn:4:183829:224969,Cc1cc(-c2ccc(F)c(CN(C(=O)OC(C)(C)C)C3CC3)c2)ccc1C(=O)OC(C)(C)C,AZKSGEYJDZTCGM-UHFFFAOYSA-N
-rxn:4:183833:225093,C#Cc1ccc(-c2cc(Cl)c(OCCC)c(OCC)c2)cc1OC1CN(C(=O)OC(C)(C)C)C1,IOGLXCMOGFQGEC-UHFFFAOYSA-N
-rxn:4:183877:225210,Cc1nc(N2CCC(C)CC2)ncc1-c1c(Cl)cccc1OCC1CN(C(=O)OC(C)(C)C)C1,MBNJACCVVANEIL-UHFFFAOYSA-N
-rxn:4:183911:225722,CC1CCCCN1CCOc1cc(OC(F)(F)F)ccc1-c1ccc(Cl)c(OCCN(C)C)c1,MEPBCHKQGWVZGZ-UHFFFAOYSA-N
-rxn:4:183915:225724,CC1CCN(CCOc2ccc(OC(F)(F)F)cc2-c2ccc(OCCN(C)C)c(F)c2)CC1,JVDLWUSGILXJMZ-UHFFFAOYSA-N
-rxn:4:183915:225896,COCCOc1cc(-c2cc(OC(F)(F)F)ccc2OCCN2CCC(C)CC2)c(F)cc1F,GCWUBFDURNPNHP-UHFFFAOYSA-N
-rxn:4:183928:222647,Cc1cc(-c2ccc(C(C)N(C(=O)OC(C)(C)C)C3CC3)cc2)c(C)cc1NC(=O)OC(C)(C)C,YINHWGJEYCXWPR-UHFFFAOYSA-N
-rxn:4:183962:223931,Cc1cc(OCC2CN(C(=O)OC(C)(C)C)C2)cc(-c2cc3ccc(Cl)cc3n2C(=O)OC(C)(C)C)c1,VGKQGDPWMFQZNQ-UHFFFAOYSA-N
-rxn:4:183964:222724,COC(=O)c1cc(OCCN2CCC(C)CC2)cc(-c2cnc(N3CCNCC3)c(C(F)(F)F)c2)c1,FNSQCOBRQLRRKF-UHFFFAOYSA-N
-rxn:4:183966:223777,CC(C)(C)OC(=O)N1CCc2c(ccc(-c3cc(Cl)cc(OCC4CCN(C(=O)OC(C)(C)C)C4)c3)c2F)C1,NYIFJKPITYVZAT-UHFFFAOYSA-N
-rxn:4:184027:223932,CC(C)(C)OC(=O)N1CCC(COc2ccc(-c3cc4c(Cl)cccc4n3C(=O)OC(C)(C)C)cc2F)CC1,MUPYVFBAAKWCIK-UHFFFAOYSA-N
-rxn:4:184027:224829,COC(=O)c1ccc(-c2ccc(OCC3CCN(C(=O)OC(C)(C)C)CC3)c(F)c2)cc1OC(F)(F)F,WPXDGKGRDYNKNG-UHFFFAOYSA-N
-rxn:4:184027:225750,CCN(CC)c1cc(-c2ccc(OCC3CCN(C(=O)OC(C)(C)C)CC3)c(F)c2)cc(F)c1F,GNBVSAYIYWYXRC-UHFFFAOYSA-N
-rxn:4:184030:222984,CC(C)(C)OC(=O)N1CCC(COc2cccc(F)c2-c2ccc(CN3CCC(O)C3)cc2)CC1,XHUGGDFJJPSKLG-UHFFFAOYSA-N
-rxn:4:184034:224598,CCOC(=O)C1CCN(S(=O)(=O)c2cc(-c3ccc(N4CCC(C)CC4)cc3OC)c(C)cc2OC)CC1,OXBHRNLYTASYKM-UHFFFAOYSA-N
-rxn:4:184049:223597,COc1ccc(-c2ccc(OCCN3CCC4(CC3)OCCO4)c(Cl)c2)c(C(=O)N2CCC(S(=O)(=O)Cc3ccco3)CC2)c1,ZPAKFDYMZDHBGX-UHFFFAOYSA-N
-rxn:4:184054:223538,CC(C)CS(=O)(=O)C1CCN(C(=O)Cc2ccc(-c3ccnc4c3cc(C(F)F)n4S(=O)(=O)c3ccccc3)cc2)CC1,YEOMYADQEATDDT-UHFFFAOYSA-N
-rxn:4:184054:226544,COC(=O)c1ccc(-c2ccc(CC(=O)N3CCC(S(=O)(=O)CC(C)C)CC3)cc2)c(OC)c1,KKHQFOAZBAZKDN-UHFFFAOYSA-N
-rxn:4:184069:225156,COc1ccc(-c2cc(C(=O)N3CCCC3)ccc2F)c(C(=O)N2CCC(S(=O)(=O)CC(C)C)CC2)c1,WPGBZCPOBIHKQZ-UHFFFAOYSA-N
-rxn:4:184071:224362,CCN(CC)S(=O)(=O)c1ccc(OC)c(-c2cccc(S(=O)(=O)CC3CCN(C(=O)OC(C)(C)C)CC3)c2)c1,MVJSKPDDOOBDFA-UHFFFAOYSA-N
-rxn:4:184100:225212,Cc1cc(CN(C(=O)OC(C)(C)C)C2CCC(C)(C)CC2)cc(-c2cc(F)cc(N3CCN(C)CC3)c2)c1,AZHPJZSRFWVCLY-UHFFFAOYSA-N
-rxn:4:184100:228976,Cc1cc(CN(C(=O)OC(C)(C)C)C2CCC(C)(C)CC2)cc(-c2ccc3c(c2)C=C3)c1,KNGROWYOYZENRS-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:4:184124:223810,CCOC(=O)c1cccc(C(=O)Oc2ccc3cc(-c4cc(C)c(S(=O)(=O)N5CCC(C)CC5)c(C)c4)ccc3c2)n1,JGNGCRRUOXIWRL-UHFFFAOYSA-N
-rxn:4:184132:224485,COC(=O)c1cc(-c2ccn([Si](C(C)C)(C(C)C)C(C)C)c2)cc2c1ccn2CC(=O)OC(C)(C)C,VVNOFHAFFVWFOL-UHFFFAOYSA-N
-rxn:4:184188:223880,Cc1ccc2c(c1)cc(-c1ccc(CN(C(=O)OC(C)(C)C)C3CCC3)c3ccccc13)n2C(=O)OC(C)(C)C,JWMSPRMZYDKJSZ-UHFFFAOYSA-N
-rxn:4:184271:222614,N#Cc1ccc(-c2ccc(S(=O)(=O)NC3CC3)cc2C(F)(F)F)c(OCC(F)(F)C(F)(F)F)c1,GWHKPBLXPVVWTK-UHFFFAOYSA-N
-rxn:4:184390:223866,COC(=O)Cc1ccc(C(F)F)c(-c2ccccc2CN2C(C)(C)CCCC2(C)C)c1C#N,YIVCZLFIKKSQBD-UHFFFAOYSA-N
-rxn:4:184473:222791,CCOC(=O)c1ccc(C#N)c(C(F)(F)F)c1-c1cc(NC(=O)OC(C)(C)C)ccc1Cl,RWAYFHWYENOSKF-UHFFFAOYSA-N
-rxn:4:184681:224395,CCOC(=O)C1(C#N)CC1c1ccc(-c2cc(N3CCOCC3)cc(C(F)(F)F)c2)cc1,MNXMUQNGAXOHNU-UHFFFAOYSA-N
-rxn:4:184817:223529,CCN(CC)CCc1cc(F)ccc1-c1ccc(CN2CCN(C(=O)OC(C)(C)C)CC2)c(F)c1,UMRZZSLOXHHPRY-UHFFFAOYSA-N
-rxn:4:184873:224280,CCN(C)C(=O)c1cc(OC)c(OC)cc1-c1cc2c(s1)CCN(C(=O)OC(C)(C)C)C2,QGBLAOLHHPCUBT-UHFFFAOYSA-N
-rxn:4:184906:224249,CC1CCCN(C(=O)c2ccc(F)c(-c3cccc(F)c3OCCCN3CCCC3)c2)C1,DPRUWAFKMYZQHG-UHFFFAOYSA-N
-rxn:4:184943:224835,CCN(CC)C(=O)C1(c2ccc(-c3cc(C(F)(F)F)nn3S(=O)(=O)N(C)C)cc2)CC1,BTVXJHSKUVSKBC-UHFFFAOYSA-N
-rxn:4:184956:223845,CN1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2ccc(OCCCN3CCOCC3)c(F)c2)CC1,RJWRPOVUVMBISW-UHFFFAOYSA-N
-rxn:4:185022:222522,COc1ccc(-c2cccc(F)c2OCCCN2CCCCC2)cc1S(=O)(=O)N1CCC(O)CC1,UWGMOPZUJBCJPM-UHFFFAOYSA-N
-rxn:4:185026:224653,CC(C)(C)OC(=O)N1CC(Sc2ccc(-c3ccc(Cl)cc3OCC3CCCCO3)cc2)C1,DPUPGPZYXZEKME-UHFFFAOYSA-N
-rxn:4:185062:225223,CC1CCN(c2cc(F)c(-c3cc(Cl)cc(F)c3OCCN3CCC(C(F)(F)F)CC3)cn2)CC1,AWAAXGLRGVXXCR-UHFFFAOYSA-N
-rxn:4:185097:223902,COC1CCN(CCOc2c(F)cc(Cl)cc2-c2ccc(OCCN3CCC(C)CC3)c(F)c2)CC1,JMEPEEJENATMTO-UHFFFAOYSA-N
-rxn:4:185107:224157,CC(C)S(=O)(=O)c1ncc(-c2cn(C(=O)OC(C)(C)C)c3ccccc23)cc1C(=O)OC(C)(C)C,WMKKMCHMLWTZAU-UHFFFAOYSA-N
-rxn:4:185108:225125,O=S(=O)(c1ccc(OCC2CC2)c(-c2cc(F)ccc2OCC2CCOC2)c1)N1CCCC1,NHVCOHTURQXXIW-UHFFFAOYSA-N
-rxn:4:185111:224290,COC(=O)C1CCN(C(=O)Cc2ccc(F)cc2-c2ccc(Cl)cc2OCCN2CCOCC2)CC1,ZUYBXQQZJNPNTR-UHFFFAOYSA-N
-rxn:4:185117:224893,CC(C)(C)c1cc(-c2cccc(S(=O)(=O)CC(=O)N3CCCC(C(F)(F)F)C3)c2)cc(C(C)(C)C)n1,BKLBOIFSRVFWTN-UHFFFAOYSA-N
-rxn:4:185135:222645,COC(=O)C1CCN(CCc2cc(-c3cccc(OCCN4CCC(O)CC4)c3)ccc2Cl)CC1,XTLNEIFYVPEAAH-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:4:185139:224171,COC(=O)C1CCN(CCc2ccc(F)c(-c3ccc(OCCCN4CCCC4)c(F)c3)c2)CC1,FIKVPPWYXDEVRS-UHFFFAOYSA-N
-rxn:4:185154:223671,COC(=O)c1ccc(-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1CN1CCCC(C(F)(F)F)C1,QKNFDZQZYLEOPL-UHFFFAOYSA-N
-rxn:4:185155:224482,COC(=O)c1ccc(-c2cccc(OCCCN3CCCC3)c2)cc1CN1CCC(C(F)(F)F)CC1,MKZAGEYRCRBJRZ-UHFFFAOYSA-N
-rxn:4:185161:224270,CC(C)(C)OC(=O)N1CC(c2ccc(C(F)(F)F)cc2-c2cn(C(=O)OC(C)(C)C)c3ncccc23)C1,BRDQPWQJJDRDNE-UHFFFAOYSA-N
-rxn:4:185162:224277,CC(C)(C)OC(=O)N1CC(c2cc(C(F)(F)F)ccc2-c2ccnc3c2ccn3C(=O)OC(C)(C)C)C1,JWMHHKLTQMCUER-UHFFFAOYSA-N
-rxn:4:185165:223634,CCN(Cc1ccccc1)C(=O)c1cc(-c2ccc(C(F)(F)F)c(C3CN(C(=O)OC(C)(C)C)C3)c2)ccc1F,YPVIWXZJWYNSCD-UHFFFAOYSA-N
-rxn:4:185165:224269,CC(C)(C)OC(=O)N1CC(c2cc(-c3cn(C(=O)OC(C)(C)C)c4cnccc34)ccc2C(F)(F)F)C1,MUTRUHWZLBZTAC-UHFFFAOYSA-N
-rxn:4:185189:224689,CC1CCN(CCCOc2ccc(-c3ccc(C(=O)N4CCCCC4)cc3Cl)cc2Cl)CC1,DEGKSMSPFAKAFL-UHFFFAOYSA-N
-rxn:4:185201:225899,COc1cc(C2CN(C(=O)OC(C)(C)C)C2)ccc1-c1cc(C)nn1C(=O)OC(C)(C)C,KVGFKBWFSPDGPX-UHFFFAOYSA-N
-rxn:4:185242:224826,CCOC(=O)c1cc(-c2ccc(C3CCCN3C(=O)C(CC)CC)cc2)cnc1C(F)(F)F,GDUYHUWAOUIMDQ-UHFFFAOYSA-N
-rxn:4:185243:222785,CC(C)CN(C(=O)c1ccc(-c2ccc(F)c(NC(=O)OC(C)(C)C)c2)cc1)C1CCS(=O)(=O)C1,QMEQEPDPVPQBOZ-UHFFFAOYSA-N
-rxn:4:185270:223183,CNS(=O)(=O)c1ccc(-c2ccc(C3CCN(C(=O)OC(C)(C)C)C3)c(C(F)(F)F)c2)c(C)c1,UKQJRTOMHVHALE-UHFFFAOYSA-N
-rxn:4:185270:223589,Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1ccc(C2CCN(C(=O)OC(C)(C)C)C2)c(C(F)(F)F)c1,UBLCQURBAIQHMO-UHFFFAOYSA-N
-rxn:4:185307:223505,CCCOc1cc(S(=O)(=O)N2CCCC(C)C2)ccc1-c1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1,DAAQGYVSJHFEIG-UHFFFAOYSA-N
-rxn:4:185315:224290,CC(C)(C)OC(=O)N1CC(c2cc(-c3ccc(Cl)cc3OCCN3CCOCC3)ccc2C2CC2)C1,OEWNYOKXDRRBCL-UHFFFAOYSA-N
-rxn:4:185321:223579,CC1CN(C(=O)OC(C)(C)C)CCN1c1ccc(-c2cc(OC3CCN(C(=O)OC(C)(C)C)CC3)ccc2Cl)cc1,GAHUPZDODIRFKX-UHFFFAOYSA-N
-rxn:4:185322:226919,CC(C)(C)OC(=O)N1CCC(Oc2cc(-c3cccc(C4CCCC4)c3)ccc2Cl)CC1,MYNSTFHTNUKSQZ-UHFFFAOYSA-N
-rxn:4:185356:227249,CCCOc1ccc(Cl)c(-c2ccc(F)c(C(=O)C3CCN(C(=O)OC(C)(C)C)CC3)c2)c1,PWGONKQXUZUACZ-UHFFFAOYSA-N
-rxn:4:185374:223538,O=C(Cc1ccc(-c2ccnc3c2cc(C(F)F)n3S(=O)(=O)c2ccccc2)cc1)N1CC(S(=O)(=O)C2CCCCC2)C1,CTYPKGUWHMFUMW-UHFFFAOYSA-N
-rxn:4:185375:227402,CC(C)CS(=O)(=O)C1CCN(S(=O)(=O)c2ccccc2-c2cc(F)nc(C(C)(C)C)c2)CC1,OPFZCGXAYQZVLS-UHFFFAOYSA-N
-rxn:4:185428:225182,CC1CCN(C(=O)COc2ccc(C(C)(C)C)cc2-c2ccnc(OC3CCCCC3)c2Cl)CC1,LPXFJIJYPJFPLK-UHFFFAOYSA-N
-rxn:4:185428:225278,COC(=O)c1ccc(C(=O)OC)c(-c2cc(C(C)(C)C)ccc2OCC(=O)N2CCC(C)CC2)c1,CKVJLBTXASZXTN-UHFFFAOYSA-N
-rxn:4:185438:222956,Cc1ccc(-c2ccc(S(=O)(=O)N3CCC(O[Si](C)(C)C(C)(C)C)CC3)cc2)c(C2CCCNC2)c1,XGIIZQNVTHWGSC-UHFFFAOYSA-N
-rxn:4:185438:223170,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3cnc(C4CCCNC4)nc3)cc2)CC1,RDDOSVWVHLCINW-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:4:185480:223572,CC1CCN(S(=O)(=O)c2ccc(-c3cc(F)ccc3OCCCN3C(=O)c4ccccc4C3=O)c3ccccc23)CC1,VQIUJIDVMQYZPI-UHFFFAOYSA-N
-rxn:4:185495:224609,COC(=O)c1cn(C(=O)OC(C)(C)C)c2cc(-c3cnccc3C(=O)N(C(C)C)C(C)C)ccc12,WWNLOQNAPFSLPH-UHFFFAOYSA-N
-rxn:4:185509:223999,COC(=O)c1cc2c(cc1-c1cc(S(=O)(=O)N3CCC(C)CC3)ccc1F)CCN2C(=O)OC(C)(C)C,PRACPPQYAMVQNT-UHFFFAOYSA-N
-rxn:4:185516:223575,Cc1cccc2c1N(CCCOc1ccc(-c3ccccc3CN3CCN(C(=O)OC(C)(C)C)CC3)cc1)C(=O)C2=O,QOFZSUYJWBPQJI-UHFFFAOYSA-N
-rxn:4:185892:222545,COC(=O)c1c(-c2ccc(C(C)(C)NC(=O)OC(C)(C)C)cc2)ccc(C(F)F)c1C#N,CDYDKDSZEDUTRE-UHFFFAOYSA-N
-rxn:4:185892:223896,COC(=O)c1c(-c2cccc(OC)c2C(=O)N(C(C)C)C(C)C)ccc(C(F)F)c1C#N,SYBHQEZEOBMQQW-UHFFFAOYSA-N
-rxn:4:186035:223822,CCOC(=O)c1ccnc(-c2cc(C(F)(F)F)ccc2C(=O)OCC(C)(C)C)c1C(F)(F)F,NLSTWIJAXKVNRD-UHFFFAOYSA-N
-rxn:4:186472:223568,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(Cl)c(-c3cccc(S(=O)(=O)CC(=O)N(C)C)c3)cnc21,GNSSMYNWJHTGAQ-UHFFFAOYSA-N
-rxn:4:186680:222612,Cc1cc([N+](=O)[O-])c(OCC(C)C)cc1-c1cc(S(=O)(=O)N2CCC(O)CC2)ccc1F,GQLCWCBQAYGVER-UHFFFAOYSA-N
-rxn:4:186751:225747,Cc1ccc(-c2ccc(N(C(=O)C(F)(F)F)C3C=CS(=O)(=O)C3)cc2)n1C(=O)OC(C)(C)C,HTIZCOUWDOHIEU-UHFFFAOYSA-N
-rxn:4:186808:223596,Cc1cccc(C(=O)ON=Cc2ccc(-c3ccc(Cl)cc3N3CCN(C(=O)OC(C)(C)C)CC3)cc2)c1,JHDIJLLZJOPZCH-UHFFFAOYSA-N
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-rxn:4:186949:222631,CC(C)(C)c1cc(-c2cccc(OCC(=O)N3CCCCC3)c2)cc(C2CCNCC2)n1,YRNKZECHVDDTHY-UHFFFAOYSA-N
-rxn:4:186975:223822,CC(C)(C)COC(=O)c1ccc(C(F)(F)F)cc1-c1ccc(Cl)c(OCC(=O)N2CCCCC2)c1,BZHJKZQCCKCKPK-UHFFFAOYSA-N
-rxn:4:187003:223488,CC(C)(C)OC(=O)n1c(-c2ccc(OCC(=O)N3CCCC(F)(F)C3)cc2)cc2cc(Oc3ccccc3)ccc21,DCGFUJBTVFJIRQ-UHFFFAOYSA-N
-rxn:4:187012:225548,CCOC(=O)c1ccc(CC)cc1-c1ccc(C(=O)N2CCCCC2)cc1OC(F)(F)F,PTXCFCLZBQLJPR-UHFFFAOYSA-N
-rxn:4:187012:225613,O=C(c1ccc(-c2ccnc(OC3CCCCC3)c2)c(OC(F)(F)F)c1)N1CCCCC1,AXXUYIPIEHIVOK-UHFFFAOYSA-N
-rxn:4:187068:224180,COC(=O)c1cc(-c2ccccc2OCCN2CCN(C)CC2)ccc1CN1CCOCC1,QRROTHFXLFBSSG-UHFFFAOYSA-N
-rxn:4:187074:224249,COC(=O)c1ccc(-c2cc(C(=O)N3CCCC(C)C3)ccc2F)cc1CN1CCOCC1,UOGYTSNZWHDILN-UHFFFAOYSA-N
-rxn:4:187148:225653,CC1CCCCN1c1ccc(-c2ccc(CC(=O)N3CCCC(C(F)(F)F)C3)cc2F)cn1,HYJWNBDSOOOZCL-UHFFFAOYSA-N
-rxn:4:187192:224022,COC(=O)[C@@H]1CCCN1[C@@H](C)c1ccc(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1,VZYAHBGNRFZMST-HHBPTRCMSA-N
-rxn:4:187197:224330,COC(=O)c1ccc(-c2ccc(Cl)c(C(=O)N3CCC(=O)CC3)c2)cc1CN1CCCCC1,CNIHXGVLFWQBOL-UHFFFAOYSA-N
-rxn:4:187199:224365,CCCCOc1cc(-c2ccccc2CCCN2CCC(F)(F)CC2)cc(C(F)(F)F)c1F,KYGOIVBAFYRLMO-UHFFFAOYSA-N
-rxn:4:187205:225899,Cc1cc(-c2ccc(Cl)cc2C2CN(C(=O)OC(C)(C)C)C2)n(C(=O)OC(C)(C)C)n1,JSASAODUTCGKIB-UHFFFAOYSA-N
-rxn:4:187221:223928,CC(C)(C)OC(=O)N1CCc2ncc(-c3cc(F)ccc3C3CN(C(=O)OC(C)(C)C)C3)cc2C1,SQUXLXIGNJLSPN-UHFFFAOYSA-N
-rxn:4:187250:225753,COC(=O)c1ccc(-c2cc(C(=O)OC)cnc2C2CC2)c(CN2CCCC(F)(F)C2)c1,IAJJKBMHYROPAI-UHFFFAOYSA-N
-rxn:4:187318:224291,COC(=O)c1ccc(-c2ccc(OCCN3CCOCC3)c(F)c2)c(CN2CCOC(C)C2)c1,NQEOGFVUALSFAI-UHFFFAOYSA-N
-rxn:4:187374:223009,CC1CCN(C(=O)CS(=O)(=O)c2cccc(-c3cc(Cl)cc(C4CCNCC4)c3)c2)CC1,UUKXFPBZWMHFSV-UHFFFAOYSA-N
-rxn:4:187410:224734,CC1CCCC(C)N1C(=O)COc1cccc(-c2ccc(C(F)(F)F)cc2OCC2CC2)c1,TWVSCOIBNGQEPO-UHFFFAOYSA-N
-rxn:4:187416:223790,CC(C)(C)OC(=O)N1CCCC1c1cncc(-c2ccccc2C2CCCN2C(=O)OC(C)(C)C)c1,LNEPXBOJLLCWSB-UHFFFAOYSA-N
-rxn:4:187427:224008,COC(=O)c1cc(-c2cc(C(=O)N3CCOCC3)cc([N+](=O)[O-])c2)ccc1CN1CCCC(C)C1,HOAJCDNXKZSDJT-UHFFFAOYSA-N
-rxn:4:187428:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3ccc(CN4CCCCC4C)c(C(=O)OC)c3)c2)CC1,MZJKGPZYUHWQJY-UHFFFAOYSA-N
-rxn:4:187440:223975,CC(C)(C)OC(=O)N1CCCC(c2cc(-c3cn(C(=O)OC(C)(C)C)c4ccc(Cl)nc34)co2)C1,WGDUBZFECDGCBE-UHFFFAOYSA-N
-rxn:4:187474:224835,CC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2cc(C(F)(F)F)nn2S(=O)(=O)N(C)C)c1,HQJNSNDETKAXSL-UHFFFAOYSA-N
-rxn:4:187482:223000,CCOc1ccc(-c2ccc(C3CCCNC3)c(F)c2)cc1S(=O)(=O)N1CCCC(C)C1,FKYDADWZZRBRLW-UHFFFAOYSA-N
-rxn:4:187482:223001,CCOc1ccc(-c2cc(C3CCCNC3)ccc2F)cc1S(=O)(=O)N1CCCC(C)C1,XJOILJHKPWFNRM-UHFFFAOYSA-N
-rxn:4:187482:223002,CCOc1ccc(-c2ccc(C3CCNCC3)cc2F)cc1S(=O)(=O)N1CCCC(C)C1,RDSPDMXRNTUROY-UHFFFAOYSA-N
-rxn:4:187482:223003,CCOc1ccc(-c2ccc(Cl)c(C3CCNCC3)c2)cc1S(=O)(=O)N1CCCC(C)C1,WSWMVVQBLRBHEZ-UHFFFAOYSA-N
-rxn:4:187482:223004,CCOc1ccc(-c2ccc(C3CCNCC3)c(F)c2)cc1S(=O)(=O)N1CCCC(C)C1,OVAPCRVGNLYLPE-UHFFFAOYSA-N
-rxn:4:187482:223005,CCOc1ccc(-c2ccc(C3CCNCC3)c(Cl)c2)cc1S(=O)(=O)N1CCCC(C)C1,HVALHNZNTXMREJ-UHFFFAOYSA-N
-rxn:4:187482:223006,CCOc1ccc(-c2ccc(F)c(C3CCNCC3)c2)cc1S(=O)(=O)N1CCCC(C)C1,SUUHCLXIMYLUKN-UHFFFAOYSA-N
-rxn:4:187482:223007,CCOc1ccc(-c2cc(F)cc(C3CCNCC3)c2)cc1S(=O)(=O)N1CCCC(C)C1,KICQUEBBEABLMC-UHFFFAOYSA-N
-rxn:4:187482:223008,CCOc1ccc(-c2cc(C3CCNCC3)ccc2F)cc1S(=O)(=O)N1CCCC(C)C1,MHTDALWHEPEUGI-UHFFFAOYSA-N
-rxn:4:187482:223060,CCOc1ccc(-c2cc(Cl)nc(C3CCNCC3)c2)cc1S(=O)(=O)N1CCCC(C)C1,XTCJHMXSWGOMBB-UHFFFAOYSA-N
-rxn:4:187482:223061,CCOc1ccc(-c2cc(C3CCNCC3)ncc2F)cc1S(=O)(=O)N1CCCC(C)C1,UVBNFAOZQKBJCW-UHFFFAOYSA-N
-rxn:4:187482:223062,CCOc1ccc(-c2cnc(C3CCNCC3)cc2F)cc1S(=O)(=O)N1CCCC(C)C1,YROHSAJHPCNDEA-UHFFFAOYSA-N
-rxn:4:187482:225607,CCOc1ccc(-c2ccc(C(C)N3CCCCC3)s2)cc1S(=O)(=O)N1CCCC(C)C1,SARXENRYIQYBLI-UHFFFAOYSA-N
-rxn:4:187484:223002,CCOc1ccc(-c2ccc(C3CCNCC3)cc2F)cc1S(=O)(=O)N1CCCCC1C,IERNIUHETBYPOZ-UHFFFAOYSA-N
-rxn:4:187484:223003,CCOc1ccc(-c2ccc(Cl)c(C3CCNCC3)c2)cc1S(=O)(=O)N1CCCCC1C,RNMIDBWMAPBRPK-UHFFFAOYSA-N
-rxn:4:187484:223006,CCOc1ccc(-c2ccc(F)c(C3CCNCC3)c2)cc1S(=O)(=O)N1CCCCC1C,PONICOKYJVHRRB-UHFFFAOYSA-N
-rxn:4:187484:223009,CCOc1ccc(-c2cc(Cl)cc(C3CCNCC3)c2)cc1S(=O)(=O)N1CCCCC1C,DSGODFUWZLKXJV-UHFFFAOYSA-N
-rxn:4:187484:223061,CCOc1ccc(-c2cc(C3CCNCC3)ncc2F)cc1S(=O)(=O)N1CCCCC1C,PTIZIFBBNIAXBK-UHFFFAOYSA-N
-rxn:4:187484:223064,CCOc1ccc(-c2ccc(C3CCNCC3)nc2F)cc1S(=O)(=O)N1CCCCC1C,SWMQDLCIMRWYSE-UHFFFAOYSA-N
-rxn:4:187485:223000,CCOc1cc(S(=O)(=O)N2CCCC(C)C2)ccc1-c1ccc(C2CCCNC2)c(F)c1,BFEGBIBYAKCEPH-UHFFFAOYSA-N
-rxn:4:187485:223004,CCOc1cc(S(=O)(=O)N2CCCC(C)C2)ccc1-c1ccc(C2CCNCC2)c(F)c1,VLGFZNDFFWAMFI-UHFFFAOYSA-N
-rxn:4:187485:223005,CCOc1cc(S(=O)(=O)N2CCCC(C)C2)ccc1-c1ccc(C2CCNCC2)c(Cl)c1,JBZVPUXNBFZWLL-UHFFFAOYSA-N
-rxn:4:187485:223007,CCOc1cc(S(=O)(=O)N2CCCC(C)C2)ccc1-c1cc(F)cc(C2CCNCC2)c1,FQJBQBFJUWCMMG-UHFFFAOYSA-N
-rxn:4:187485:223009,CCOc1cc(S(=O)(=O)N2CCCC(C)C2)ccc1-c1cc(Cl)cc(C2CCNCC2)c1,LUMQLEJHFJTJLA-UHFFFAOYSA-N
-rxn:4:187485:225607,CCOc1cc(S(=O)(=O)N2CCCC(C)C2)ccc1-c1ccc(C(C)N2CCCCC2)s1,HDANKCCBMPDMCY-UHFFFAOYSA-N
-rxn:4:187488:223002,CCOc1ccc(-c2ccc(C3CCNCC3)cc2F)cc1S(=O)(=O)N1CCC(C)CC1,ODOJUFVPGYTIAO-UHFFFAOYSA-N
-rxn:4:187488:223003,CCOc1ccc(-c2ccc(Cl)c(C3CCNCC3)c2)cc1S(=O)(=O)N1CCC(C)CC1,GOUOOGORZBWHHC-UHFFFAOYSA-N
-rxn:4:187488:223006,CCOc1ccc(-c2ccc(F)c(C3CCNCC3)c2)cc1S(=O)(=O)N1CCC(C)CC1,DOQVYHPHFHZQNG-UHFFFAOYSA-N
-rxn:4:187488:223009,CCOc1ccc(-c2cc(Cl)cc(C3CCNCC3)c2)cc1S(=O)(=O)N1CCC(C)CC1,XEYYDDRFSTYFCD-UHFFFAOYSA-N
-rxn:4:187488:223060,CCOc1ccc(-c2cc(Cl)nc(C3CCNCC3)c2)cc1S(=O)(=O)N1CCC(C)CC1,PNQYCVXELMGYRG-UHFFFAOYSA-N
-rxn:4:187488:223061,CCOc1ccc(-c2cc(C3CCNCC3)ncc2F)cc1S(=O)(=O)N1CCC(C)CC1,FDRDOZPEFLSZOC-UHFFFAOYSA-N
-rxn:4:187488:223064,CCOc1ccc(-c2ccc(C3CCNCC3)nc2F)cc1S(=O)(=O)N1CCC(C)CC1,JHPRWQNCPQLRIV-UHFFFAOYSA-N
-rxn:4:187489:223000,CCOc1cc(S(=O)(=O)N2CCC(C)CC2)ccc1-c1ccc(C2CCCNC2)c(F)c1,XTUQGMGDNMWBRJ-UHFFFAOYSA-N
-rxn:4:187489:223003,CCOc1cc(S(=O)(=O)N2CCC(C)CC2)ccc1-c1ccc(Cl)c(C2CCNCC2)c1,ULBUOJFCTBFRQB-UHFFFAOYSA-N
-rxn:4:187489:223005,CCOc1cc(S(=O)(=O)N2CCC(C)CC2)ccc1-c1ccc(C2CCNCC2)c(Cl)c1,ORKAAEDDSDHTRT-UHFFFAOYSA-N
-rxn:4:187489:223006,CCOc1cc(S(=O)(=O)N2CCC(C)CC2)ccc1-c1ccc(F)c(C2CCNCC2)c1,RMAIULUCVYAWQH-UHFFFAOYSA-N
-rxn:4:187489:223007,CCOc1cc(S(=O)(=O)N2CCC(C)CC2)ccc1-c1cc(F)cc(C2CCNCC2)c1,VTOHOGZQPTUXJH-UHFFFAOYSA-N
-rxn:4:187489:223009,CCOc1cc(S(=O)(=O)N2CCC(C)CC2)ccc1-c1cc(Cl)cc(C2CCNCC2)c1,KYAKJGRXUKBQMI-UHFFFAOYSA-N
-rxn:4:187489:223060,CCOc1cc(S(=O)(=O)N2CCC(C)CC2)ccc1-c1cc(Cl)nc(C2CCNCC2)c1,ORIFXEMBMXFVCF-UHFFFAOYSA-N
-rxn:4:187489:223063,CCOc1cc(S(=O)(=O)N2CCC(C)CC2)ccc1-c1cc(F)nc(C2CCNCC2)c1,BBKMWBSTSGRXBI-UHFFFAOYSA-N
-rxn:4:187490:223000,CCOc1cc(S(=O)(=O)N2CCCCCC2)ccc1-c1ccc(C2CCCNC2)c(F)c1,SMXKOBSWDVIIEC-UHFFFAOYSA-N
-rxn:4:187490:223003,CCOc1cc(S(=O)(=O)N2CCCCCC2)ccc1-c1ccc(Cl)c(C2CCNCC2)c1,TUIRZLNMGXYCSM-UHFFFAOYSA-N
-rxn:4:187490:223005,CCOc1cc(S(=O)(=O)N2CCCCCC2)ccc1-c1ccc(C2CCNCC2)c(Cl)c1,UUNNEKCFGCBGDZ-UHFFFAOYSA-N
-rxn:4:187490:223006,CCOc1cc(S(=O)(=O)N2CCCCCC2)ccc1-c1ccc(F)c(C2CCNCC2)c1,HULUHXOBRBWMDI-UHFFFAOYSA-N
-rxn:4:187490:223009,CCOc1cc(S(=O)(=O)N2CCCCCC2)ccc1-c1cc(Cl)cc(C2CCNCC2)c1,ZOKAXOJWSHFZPY-UHFFFAOYSA-N
-rxn:4:187490:223064,CCOc1cc(S(=O)(=O)N2CCCCCC2)ccc1-c1ccc(C2CCNCC2)nc1F,DFUJKMACAGPDGD-UHFFFAOYSA-N
-rxn:4:187490:225607,CCOc1cc(S(=O)(=O)N2CCCCCC2)ccc1-c1ccc(C(C)N2CCCCC2)s1,VIIJXLPKZUBOIX-UHFFFAOYSA-N
-rxn:4:187557:223499,CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(-c3ccc([C@H]4CCCC(=O)N4C(=O)OC(C)(C)C)cc3)ccc2Cl)CC1,NQNTTYBSZAQPRA-AREMUKBSSA-N
-rxn:4:187561:227532,CCOc1ccc(-c2ccc(Cl)c(C(=O)N3CCC(S(=O)(=O)C(C)(C)C)C3)c2)c(F)c1F,NOPYESHDSSXJBE-UHFFFAOYSA-N
-rxn:4:187583:224771,Cc1ccc(-c2ccc(Cl)c(C3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1S(=O)(=O)N1CCCC1,QIELXKYWPZRSEI-UHFFFAOYSA-N
-rxn:4:187628:226187,CCOc1cc(S(=O)(=O)N2CC(C)CC(C)C2)ccc1-c1cccc(C2CCOCC2)c1,KISHWBZAJGNGER-UHFFFAOYSA-N
-rxn:4:187663:225901,Cc1cc(-c2cn(C(=O)OC(C)(C)C)nc2C)ccc1C1CCCN(C(=O)OC(C)(C)C)C1,HNEIGUPOSKWBGN-UHFFFAOYSA-N
-rxn:4:187670:223687,CC1CN(C(=O)OC(C)(C)C)CCC1c1cc(Cl)cc(-c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2)c1,FADIRCTWCXILOZ-UHFFFAOYSA-N
-rxn:4:187968:223653,COc1cc2cc(-c3ccc4c(ccn4[Si](C(C)C)(C(C)C)C(C)C)c3)n(C(=O)OC(C)(C)C)c2cc1Cl,CUYHYFHJXICSEI-UHFFFAOYSA-N
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-rxn:4:205924:223606,N#Cc1cccc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c(F)c2)c1N1CCSC1,DIJCPDDWSAHMFI-UHFFFAOYSA-N
-rxn:4:205925:223606,N#Cc1ccc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c(F)c2)cc1N1CCSC1,GMCAWMXLOKYMEC-UHFFFAOYSA-N
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-rxn:4:206445:223670,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2cc(Cl)cnc2C(=O)N2CCOCC2)CC1,NOQYBDUVSDKZGA-UHFFFAOYSA-N
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-rxn:4:206697:223699,CS(=O)(=O)N1CCCC(c2ncc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3C(F)(F)F)s2)C1,ODPUEGXLDFMHON-UHFFFAOYSA-N
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-rxn:4:207071:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cc(N2CCN(C)CC2)ccc1C1CC1,YFEKFWIHKQBYKY-UHFFFAOYSA-N
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-rxn:4:207085:225805,Cc1cc(C)c(S(=O)(=O)N2CCN(C)CC2)cc1-c1ccc(C(C)N2CCOCC2)s1,DHZXDHLMFFWJKZ-UHFFFAOYSA-N
-rxn:4:207086:222920,Cc1cc(S(=O)(=O)NC2CC2)ccc1-c1cc(C)c(S(=O)(=O)N2CCN(C)CC2)c(C)c1,QBHPOLGHEJKDLT-UHFFFAOYSA-N
-rxn:4:207091:226738,CC(=O)c1ccc(-c2ccc(N3C(=O)CC(N4CCCCCC4)C3=O)cc2)c([N+](=O)[O-])c1,WGVNDYFIVRNYMF-UHFFFAOYSA-N
-rxn:4:207575:223845,CCn1ncc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCN(C)CC2)c1C12CCCCC1O2,WEQHEMFAZLRLEJ-UHFFFAOYSA-N
-rxn:4:207854:222958,Cc1ccc(-c2ccc3c(c2)CCN3C2CCN(C3CCC3)CC2)cc1C1CCNCC1,PUYXMNAPARMNHF-UHFFFAOYSA-N
-rxn:4:207890:224569,Cc1c(-c2cc(F)cc(OCC3CCCCC3)c2)cnn1CC12CC3CC(CC(C3)C1)C2,KSCQTWQFZOVKDD-UHFFFAOYSA-N
-rxn:4:209245:223521,CC(c1cccc(-c2cncc(N3CCSC3)c2)c1)N1CCN(C(=O)OC(C)(C)C)CC1,RPZINNQWAHLRBI-UHFFFAOYSA-N
-rxn:4:209649:223527,Cc1nc(-c2ccc(F)cc2CN2CCN(C(=O)OC(C)(C)C)CC2)cn1C1CCCC1,XGLNGGCSGWNQCZ-UHFFFAOYSA-N
-rxn:4:211056:223994,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1ccc2c(c1)C(N1CCN(C)CC1)CC2,ABTUUFVULBNSTA-UHFFFAOYSA-N
-rxn:4:212532:223534,CC(C)(C)OC(=O)N1CCC(Oc2cc(-c3cnn(CC4CN(C(=O)c5cccc(OC(F)(F)F)c5)C4)c3)c(F)cn2)CC1,OJSPQWWMJQUCHS-UHFFFAOYSA-N
-rxn:4:212532:224251,CC1CCCN(C(=O)c2ccc(-c3cnn(CC4CN(C(=O)c5cccc(OC(F)(F)F)c5)C4)c3)c(F)c2)C1,LGXNIJRLNUUFSK-UHFFFAOYSA-N
-rxn:4:212541:222948,CC(C)(C)OC(=O)N1CC(COc2cncc(-c3cnc(N4CCC(O)CC4)nc3Cl)n2)C1,AMJWHNRPXHLOSS-UHFFFAOYSA-N
-rxn:4:212593:226541,COC(=O)c1ccc(-c2ccc(C(=O)N(C)C3CN(C(=O)OC(C)(C)C)C3)cn2)cc1OC,WYWJPUSCYJZRBT-UHFFFAOYSA-N
-rxn:4:212599:224718,CCSc1ccccc1C(=O)N1CCC(Oc2ncc(-c3ccc(OCCN4CCOCC4)nc3)cn2)C1,RLRFDGDHUOVHSE-UHFFFAOYSA-N
-rxn:4:212609:223687,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3nccn3CC3CCN(C(=O)OCc4ccccc4)CC3)cn2)CC1,DBKBLLILZLOLSE-UHFFFAOYSA-N
-rxn:4:212630:225653,CC1CCCCN1c1ccc(-c2cncc(C(=O)N3CCCC(COc4ncccc4C(F)(F)F)C3)c2)cn1,FYCWRDRUKREIRN-UHFFFAOYSA-N
-rxn:4:212635:227231,CCCOc1ncc(-c2cnn(C)c2CN(C(=O)OC(C)(C)C)C2CCCC2)cc1C,LMDYMJZBIZBGHN-UHFFFAOYSA-N
-rxn:4:212639:222790,CC(C)(C)OC(=O)Nc1cc(Cl)cc(-c2cncc(CC(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)c1,ZWMVBIIVOKBTAN-UHFFFAOYSA-N
-rxn:4:212639:225898,CC(C)(C)OC(=O)N1CCN(C(=O)Cc2cncc(-c3cnn(CCN4CCOCC4)c3)c2)CC1,LSKUUYCGKLUESG-UHFFFAOYSA-N
-rxn:4:212645:228155,COc1ccc(-c2cn(C)nc2CN(C(=O)OC(C)(C)C)C2CCOCC2)cc1OC,VLMUAQWZMNJPQG-UHFFFAOYSA-N
-rxn:4:212658:223503,COC(=O)c1ncc(-c2c(F)cc(OC3CCN(C(=O)OC(C)(C)C)CC3)cc2F)cc1N1CCN(C(=O)OC(C)(C)C)CC1,HOVFILNIBGGLNY-UHFFFAOYSA-N
-rxn:4:212658:223885,COC(=O)c1ncc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3)cc1N1CCN(C(=O)OC(C)(C)C)CC1,BQQBIZFFDDEZHT-UHFFFAOYSA-N
-rxn:4:212662:223960,CCN1CCN(C(=O)c2cc(-c3cnc(OCC4CCCN(Cc5ccc(OC)cc5)C4)nc3)ccc2F)CC1,SJYFXFCHLXGUBF-UHFFFAOYSA-N
-rxn:4:212678:222732,Cc1cnc(OCC2CCCN(C(=O)Cc3ccccc3-c3ccc(C(=O)NC4CCCCC4)cc3)C2)nc1,SLAHYBRUBYNXBS-UHFFFAOYSA-N
-rxn:4:212685:223839,COC(=O)c1ccc(N2CCN(S(=O)(=O)c3ccc(-c4cc(S(=O)(=O)N5CCN(C)CC5)ccc4OC)cc3)CC2)c([N+](=O)[O-])c1,RXGZVPDTRFTFLV-UHFFFAOYSA-N
-rxn:4:212738:224371,COC(=O)C1CCN(c2ncc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)c(N4CCOCC4)c3)cn2)CC1,RYKUOTWQEIFAAR-UHFFFAOYSA-N
-rxn:4:212816:223540,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1ccc(S(=O)(=O)N2CCN(C(=O)CCc3c[nH]c4ccccc34)CC2)cc1,UQVKUNZVGMLZFA-UHFFFAOYSA-N
-rxn:4:212840:224713,CCCCOc1ccc(-c2ccc(C3=NN(C(=O)CSc4cn(C)c5ccccc45)C(c4ccc(C)cc4)C3)cc2)c(C(F)(F)F)c1,LBFHOYZTFFBDCM-UHFFFAOYSA-N
-rxn:4:212905:224179,CN1CCN(CCOc2ccc(-c3ccnc(OC4CN(C(=O)OC(C)(C)C)C4)n3)cc2)CC1,ZWIWVCYCCDMJEE-UHFFFAOYSA-N
-rxn:4:212927:222631,CC(C)(C)c1cc(-c2ccc(OCc3nc(C#N)c(N4CCOCC4)o3)cc2)cc(C2CCNCC2)n1,ATRCXHBFCUOYAX-UHFFFAOYSA-N
-rxn:4:212970:223106,Cc1nc(OC2CN(C(=O)OC(C)(C)C)C2)ncc1-c1cnc(N2CCC(O)C2)nc1Cl,BSMWJIXIGODTIO-UHFFFAOYSA-N
-rxn:4:212970:225876,Cc1nc(OC2CN(C(=O)OC(C)(C)C)C2)ncc1-c1cc(Cl)ccc1N1CCOCC1,TYSOFBFBUGPLLU-UHFFFAOYSA-N
-rxn:4:212984:224713,CCCCOc1ccc(-c2cnccc2OC2CCN(C(=O)c3ccc(C(F)(F)F)nc3)C2)c(C(F)(F)F)c1,ZZGQDKZCMRCJBO-UHFFFAOYSA-N
-rxn:4:212989:226841,COc1cc(-c2ncc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)s2)cnc1C(F)(F)F,IKGOQQQITOVQAI-UHFFFAOYSA-N
-rxn:4:213013:222942,CCC(C)C(=O)N1CCC(Oc2ncc(-c3ccc(S(=O)(=O)NC4CC4)c(F)c3)cn2)CC1,YCKHVGIMUXWLHI-UHFFFAOYSA-N
-rxn:4:213061:223493,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccc(S(=O)(=O)N2CCC(Oc3ncccc3C#N)CC2)cc1,IMXYCOLHVNVTFM-UHFFFAOYSA-N
-rxn:4:213088:226582,CN(C)C(=O)c1ccc(-c2cccc(N3CCN(C(=O)OC(C)(C)C)CC3)c2C#N)c(F)c1,XJPZMRIOPQVLAH-UHFFFAOYSA-N
-rxn:4:213097:222792,CC(C)(C)OC(=O)Nc1ccc(F)c(-c2ccc(C3(C#N)CCN(C(=O)OC(C)(C)C)CC3)nc2)c1,BXDYIFMILMPLGI-UHFFFAOYSA-N
-rxn:4:213097:224276,CC(C)(C)OC(=O)N1CCC(C#N)(c2ccc(-c3cn(C(=O)OC(C)(C)C)c4cccnc34)cn2)CC1,HNWHUUSBIOEEHI-UHFFFAOYSA-N
-rxn:4:213116:224771,Cc1ccc(-c2cnc(OCC3CCCN(S(=O)(=O)c4ccc(F)cc4)C3)nc2)cc1S(=O)(=O)N1CCCC1,KKHGWZRKHOHVRZ-UHFFFAOYSA-N
-rxn:4:213127:222792,CC(C)(C)OC(=O)Nc1ccc(F)c(-c2ccnc(CN3CCN(C(=O)OC(C)(C)C)CC3)c2)c1,LXYCTHZWNSJEKI-UHFFFAOYSA-N
-rxn:4:213127:222852,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3cccc(CN4CCC(O)CC4)c3)ccn2)CC1,WMRCVQBGAYAWPV-UHFFFAOYSA-N
-rxn:4:213127:225975,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3ccnc(N4CCOCC4)c3Cl)ccn2)CC1,NIFMFHSNVRTMMP-UHFFFAOYSA-N
-rxn:4:213162:223970,COc1ccc(S(=O)(=O)N2CCC(Oc3ncc(-c4ccc(C)c(S(=O)(=O)N5CCC(C)CC5)c4)cn3)CC2)cc1F,PAAYBQSHPFSUNE-UHFFFAOYSA-N
-rxn:4:213196:227713,O=C(C1CCOCC1)N1CCCC(COc2ncc(-c3cc(F)ccc3OC(F)F)cn2)C1,IUPPNGRMBGYEIS-UHFFFAOYSA-N
-rxn:4:213203:224377,Cc1ccc(OCC2CCN(S(=O)(=O)c3ccc(-c4ccc(S(=O)(=O)N5CCN(C)CC5)cc4)cc3)CC2)nn1,JXRXCLVJUVVPFR-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:4:213228:223577,CC1CN(S(=O)(=O)c2cncc(-c3ccc(OC4CCN(C(=O)OC(C)(C)C)CC4)cc3)c2)CCN1C(=O)OC(C)(C)C,CWAXTXWXJNVHMX-UHFFFAOYSA-N
-rxn:4:213242:223489,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3ccc(C4=NN(S(=O)(=O)c5ccccc5)C(c5cccc([N+](=O)[O-])c5)C4)cc3)cc2)CC1,LQMHNHBYSDLOJE-UHFFFAOYSA-N
-rxn:4:213258:223860,Cc1nn(CC2CCCN(C(=O)OC(C)(C)C)C2)c(C)c1-c1ccccc1CN1CCCc2ccccc21,JLUDIKHATXEGAC-UHFFFAOYSA-N
-rxn:4:213279:222853,Cc1ccc(S(=O)(=O)N2N=C(c3ccc(-c4ccc(CN5CCC(O)CC5)cc4)cc3)CC2c2cccc([N+](=O)[O-])c2)cc1,BUEZWOQKQGLBRR-UHFFFAOYSA-N
-rxn:4:213305:222610,CC(=O)N(CCN(C)C)c1nc2ccc(-c3cc(NC(=O)OC(C)(C)C)cc([N+](=O)[O-])c3)cc2s1,XIPZUBFVOZYFJR-UHFFFAOYSA-N
-rxn:4:213327:223499,CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(-c3ccc(-c4nc5sccn5c4C=NOCc4c(F)cccc4Cl)cc3)ccc2Cl)CC1,SDIATEAZSAHAPX-UHFFFAOYSA-N
-rxn:4:213355:226605,CC(C)CS(=O)(=O)C1CN(C(=O)c2c3ccc(-c4cc(F)c(OC(C)C)cc4F)cc3nn2C)C1,STAGQGOSBUGMAH-UHFFFAOYSA-N
-rxn:4:213395:225312,CN1CCCN(c2ncc(-c3ccc4ccn(CC(=O)N5CCN(S(=O)(=O)c6ccc(F)cc6)CC5)c4c3)cn2)CC1,SPQQWGFFLZWZLM-UHFFFAOYSA-N
-rxn:4:213399:224309,COc1ccccc1N1CCN(C(=O)Cn2ccc3ccc(-c4c(Cl)ccc(O[Si](C)(C)C(C)(C)C)c4F)cc32)CC1,XQFJFPDMUOVHIG-UHFFFAOYSA-N
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-rxn:4:213412:225366,CC(C)CS(=O)(=O)C1CCN(C(=O)c2c3ccc(-c4ccc(C(C)(F)F)cc4C(F)(F)F)cc3nn2C)CC1,LOQTXMKCZFQLAA-UHFFFAOYSA-N
-rxn:4:213626:223579,CC1CN(C(=O)OC(C)(C)C)CCN1c1ccc(-c2cnn(C3CN(C(=O)OC(C)(C)C)C3)c2)cc1,XIVJNZUJVACNAE-UHFFFAOYSA-N
-rxn:4:213629:223595,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccnn3C3CN(C(=O)OC(C)(C)C)C3)cc2F)CC1,SPTNXJZYZRIWAP-UHFFFAOYSA-N
-rxn:4:213658:224726,CCN(CC)S(=O)(=O)c1ccc(-c2cnn(CC3CN(C(=O)C4CCCO4)C3)c2)cc1C,GVADBWSDMFCNII-UHFFFAOYSA-N
-rxn:4:213660:222634,CCOC(=O)N1CCN(c2ccc(-c3ccc(OCCNC4CCCC4)c(F)c3)cn2)CC1,OUOFRKRUIGENSM-UHFFFAOYSA-N
-rxn:4:213663:223651,Cc1nc(C2CCN(C(=O)OC(C)(C)C)C2)ccc1-c1cnc(C2CN(C(=O)OC(C)(C)C)C2)nc1,JREWLBNKEJKRHL-UHFFFAOYSA-N
-rxn:4:213679:223699,O=S(=O)(c1ccc(-c2cnn(CC3CN(S(=O)(=O)c4ccc(Cl)cc4)C3)c2)c(C(F)(F)F)c1)N1CCOCC1,AGYRWASFXZBSFB-UHFFFAOYSA-N
-rxn:4:213739:222722,O=S(=O)(c1cccc(-c2ccc(S(=O)(=O)N3CCC(Oc4ncc(Cl)cn4)C3)cc2)c1)N1CCC(O)CC1,JRTYCCQIEUNOGR-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:4:213759:223670,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2cnc(C3CCCN3C(=O)OC(C)(C)C)cn2)CC1,GAGZICUMOVOSMY-UHFFFAOYSA-N
-rxn:4:213778:224289,CCN1CCN(c2ccc(-c3ccc(N(C)C(=O)OC(C)(C)C)cc3F)c(C(=O)OC)n2)CC1,ODZNRNVFRIWNDX-UHFFFAOYSA-N
-rxn:4:213793:223599,Cc1c(S(=O)(=O)c2ccc(-c3cc4cc(C(F)(F)F)ccc4n3C(=O)OC(C)(C)C)cc2)nnn1-c1cc(C(F)(F)F)ccc1Cl,XLWOWCMHJMPJGO-UHFFFAOYSA-N
-rxn:4:213802:223054,CC(c1ccc(-c2cccnc2OC2CCN(S(=O)(=O)N(C)C)CC2)s1)N1CCC(O)C1,MGPACORIVFASSY-UHFFFAOYSA-N
-rxn:4:213802:224975,CCN1CCN(c2ccc(-c3cccnc3OC3CCN(S(=O)(=O)N(C)C)CC3)cc2)CC1,RPCFQHKKEMMCRM-UHFFFAOYSA-N
-rxn:4:213802:225607,CC(c1ccc(-c2cccnc2OC2CCN(S(=O)(=O)N(C)C)CC2)s1)N1CCCCC1,YMHHCWPVESOUHM-UHFFFAOYSA-N
-rxn:4:213802:226425,CC1CCCCN1c1ccc(-c2cccnc2OC2CCN(S(=O)(=O)N(C)C)CC2)s1,IMYFQZLTJQAQBW-UHFFFAOYSA-N
-rxn:4:213805:226021,CC(C)(C)OC(=O)N1CCOC(c2ncc(-c3cc(Cl)ccc3OCC(F)(F)F)cn2)C1,VHFJWHUGSDEFQR-UHFFFAOYSA-N
-rxn:4:213868:222740,CC(C)c1cc(-c2cnc(OC3CCCN(S(=O)(=O)c4cccc(Cl)c4)C3)nc2)cc(C2CCCNC2)n1,REWDULPWMZNBOG-UHFFFAOYSA-N
-rxn:4:213879:225975,CC(C)(C)OC(=O)N1CCN(c2cccnc2-c2ccnc(N3CCOCC3)c2Cl)CC1,IBGNIIRXAYOZAY-UHFFFAOYSA-N
-rxn:4:213880:225975,CC(C)(C)OC(=O)N1CCN(c2cnccc2-c2ccnc(N3CCOCC3)c2Cl)CC1,GOAIVRAMDVGGJG-UHFFFAOYSA-N
-rxn:4:213884:225542,CCCCCc1ccc(-c2nccc(C3CCN(C(=O)OC(C)(C)C)CC3)n2)c(F)c1F,IWRGFNOFKURYSY-UHFFFAOYSA-N
-rxn:4:213928:223699,Cc1nccc(OC2CCCN(C(=O)c3ccccc3-c3ccc(S(=O)(=O)N4CCOCC4)cc3C(F)(F)F)C2)n1,ZJRBXCFSXTVHHA-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:4:213961:222524,Cc1cnccc1OCC1CCN(c2ccc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCC(O)CC3)cn2)CC1,NIGSBFQQRPSWLU-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:4:213974:223490,Cc1ccc(-c2cccc(N3CCCN(C(=O)OC(C)(C)C)CC3)n2)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,HEFJUHIKGDYLAZ-UHFFFAOYSA-N
-rxn:4:213990:225877,Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1-c1ccc(Cl)cc1N1CCOCC1,UEBFYRBCXDIRKS-UHFFFAOYSA-N
-rxn:4:214001:223044,CC(C)NC(=O)c1ccc(-c2cnc(N3CCN(C(=O)OC(C)(C)C)C(C)C3)c(F)c2)cc1F,ABEAGYBXEOOVRA-UHFFFAOYSA-N
-rxn:4:214014:225093,CCCOc1c(Cl)cc(-c2cncc(C(=O)N3CCCSCC3CN3CCCC3)c2)cc1OCC,OQKOBXANENWFRZ-UHFFFAOYSA-N
-rxn:4:214021:222729,CCCc1cc(-c2ccccc2C(=O)N2CCCC(Oc3nc(C)cc(C)n3)C2)cc(C2CCCNC2)n1,UBDKCPINUXFBAO-UHFFFAOYSA-N
-rxn:4:214029:229187,O=C(C1CCCN(c2ncc(-c3cc(Cl)cnc3F)cc2C(F)(F)F)C1)N1CCSCC1,NQMPYIBKUZHWTA-UHFFFAOYSA-N
-rxn:4:214037:225918,CCOC(=O)c1cc(-c2ccc(N3CC(C(=O)N4CCN(S(C)(=O)=O)CC4)CC3=O)cc2)c(F)cc1Cl,ZXRJJNSQIQQRMR-UHFFFAOYSA-N
-rxn:4:214065:225269,COC(=O)c1ccc(-c2ccc(C(=O)n3nc(C)c(S(=O)(=O)N4CCC(C)CC4)c3C)cc2)c(C(=O)OC)c1,JHALUAGUILCCNL-UHFFFAOYSA-N
-rxn:4:214079:227111,Cc1cc(C2CC2)cc(Cl)c1-c1ccc(CN2CCN(C(C)C)CC2)c(N2CCCC2)c1,AQMWGRBKGDGVHW-UHFFFAOYSA-N
-rxn:4:214180:223886,CC(C)(C)OC(=O)N1CCc2c(cccc2-c2ccc3cc(C4CN(C(=O)OC(C)(C)C)C4)nn3c2)C1,YUGPCPVPPRLVFV-UHFFFAOYSA-N
-rxn:4:214183:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3ccc4c(C5CN(C(=O)OC(C)(C)C)C5)ncn4c3)cc21,HZBBLBPAMBKWSV-UHFFFAOYSA-N
-rxn:4:214183:223823,CC(C)(C)OC(=O)N1CCC(n2cc(-c3ccc4c(C5CN(C(=O)OC(C)(C)C)C5)ncn4c3)cn2)CC1,UQPZDPPLEYDWHQ-UHFFFAOYSA-N
-rxn:4:214202:225227,CC1CCN(c2ncc(-c3cnc([C@@H]4[C@H]5CC[C@H](C5)N4C(=O)OC(C)(C)C)nc3)cc2Cl)CC1,FNDWYMNMFTUCCI-WEYGHZABSA-N
-rxn:4:214673:222695,Cc1ccc(-c2ccc(C(C#N)N3CCN(C)CC3)cc2)cc1S(=O)(=O)NC1CCCC1,MZRDSXQGXCIUJH-UHFFFAOYSA-N
-rxn:4:214704:224188,CC(C)N(C(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2CN2CCN(C)CC2)c(Cl)c1)C(C)C,LNQOHWRSMXBSTP-UHFFFAOYSA-N
-rxn:4:214752:223699,CC(C)N1CCN(C(=O)c2ccc(F)c(-c3ccc(S(=O)(=O)N4CCOCC4)cc3C(F)(F)F)n2)CC1,URGZTSKUPDVJLK-UHFFFAOYSA-N
-rxn:4:214765:225327,CCCOc1ncc(C(F)(F)F)cc1-c1cccc(N2CCC(N(C)C)CC2)c1[N+](=O)[O-],ZCNKSYFMRBWMOW-UHFFFAOYSA-N
-rxn:4:214805:222970,CC(C)CNC(=O)c1ccccc1-c1ccc(N2CCCN(S(=O)(=O)C3CC3)CC2)nc1,KAOSHXNMVZIRSN-UHFFFAOYSA-N
-rxn:4:214836:227275,CCCOc1c(F)cccc1-c1cc(Cl)cnc1N1CCOC(C(=O)N2CCSCC2)C1,GZDURNQYNZJQRK-UHFFFAOYSA-N
-rxn:4:214838:223136,O=C(C1CN(c2ncc(-c3ccncc3C3CCCNC3)cc2F)CCO1)N1CCOCC1,JRWOICLGLHOWII-UHFFFAOYSA-N
-rxn:4:214851:223508,O=C(c1cncc(-c2ccc(N3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)nc2)c1)N1CCCN(C2CCC2)CC1,CLDXVVREUODECQ-UHFFFAOYSA-N
-rxn:4:214867:223028,CCCNC(=O)c1ccc(F)c(-c2cnc(N3CCOC(C(=O)N4CCCC4)C3)c(C)c2)c1,ABVDQCGZCGGJMR-UHFFFAOYSA-N
-rxn:4:214873:226092,CCCCOc1ccc(-c2cnc(N3CCCC(C(=O)N4CCOCC4)C3)c(F)c2)c(C)c1,HSPYOSJXQGQVSF-UHFFFAOYSA-N
-rxn:4:214888:222944,O=C(c1cncc(-c2ccc(S(=O)(=O)NC3CC3)cc2F)c1)N1CCC2(CC1)OC(=O)N(c1ccccc1)C2=O,ATSLRYLECWXDSR-UHFFFAOYSA-N
-rxn:4:215054:224712,CC(=O)OC(OC(C)=O)c1ccc(-c2ncn3c2CCN(C(=O)OC(C)(C)C)C3=O)cc1,OYXHZPNPBDVCSB-UHFFFAOYSA-N
-rxn:4:215096:222583,CC1c2cnc(-c3ccc(C(=O)NCCN4CCOCC4)cc3)n2CCN1C(=O)OC(C)(C)C,ITIOCRYDIRFIRG-UHFFFAOYSA-N
-rxn:4:215104:224082,CCC(C(=O)OC(C)(C)C)c1cccc(-c2ncn3c2CCN(C(=O)OC(C)(C)C)CC3)c1,RJGJVDZKRLEHSU-UHFFFAOYSA-N
-rxn:4:215295:226841,COc1cc(-c2cnc3n2CCc2ccccc2C32CCN(C(=O)OC(C)(C)C)CC2)cnc1C(F)(F)F,LVACXSMYBRWBQK-UHFFFAOYSA-N
-rxn:4:215685:222546,O=[N+]([O-])c1c(-c2ccc(OCCNC3CCCCC3)c(F)c2)cnn1C1CCCCO1,KUSMHYDUYQHGNA-UHFFFAOYSA-N
-rxn:4:215736:222584,O=[N+]([O-])c1cc(-c2ccc(OCCCN3CCNCC3)c(F)c2)cnc1N1CCOCC1,BBYQGPRJBXWGQN-UHFFFAOYSA-N
-rxn:4:215790:222546,O=[N+]([O-])c1cc(-c2ccc(OCCNC3CCCCC3)c(F)c2)nc(N2CCCCC2)c1,RUTSMKQJZYIXFJ-UHFFFAOYSA-N
-rxn:4:216196:222524,N#Cc1cc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC(O)CC2)cnc1N1CC2CCCC2C1,NFMHIHPHGWTDAV-UHFFFAOYSA-N
-rxn:4:216196:224018,N#Cc1cc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCOCC2)cnc1N1CC2CCCC2C1,WVQODVCNCRPLNI-UHFFFAOYSA-N
-rxn:4:217202:223835,Cc1cc(F)c(-c2cnc(N3CCN(C)C(=O)C3)c(C)c2)cc1S(=O)(=O)N1CCC(C)CC1,AEKDEMBFFGFCJO-UHFFFAOYSA-N
-rxn:4:217214:222466,Cc1nc(N2CCN(C)CC2)ccc1-c1cc(C2CCCCC2)nc(C2CCNCC2)c1,XSWKFVQCEUFSHD-UHFFFAOYSA-N
-rxn:4:217889:224431,Cc1cccc(CN(C(C)C)C(C)C)c1-c1cnc(N2C3CCC2CC(=C2CC2)C3)nc1,HKIUZBNABVVXFJ-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:4:218615:226839,CN(CC1CCN(C(=O)OC(C)(C)C)C1)c1cnc(-c2cc(C(F)(F)F)ncc2C#N)cn1,IMTJLRFRVPRKEB-UHFFFAOYSA-N
-rxn:4:218631:224270,CC(C)(C)OC(=O)n1cc(-c2cnc(OCC3CCN(C4CCN(CC(F)(F)F)C4=O)CC3)nc2)c2cccnc21,BQNWPXTYCOYKNQ-UHFFFAOYSA-N
-rxn:4:218631:224616,O=C1C(N2CCC(COc3ncc(-c4ccccc4OCCN4CCOCC4)cn3)CC2)CCN1CC(F)(F)F,XHQFFDFYLJFGLW-UHFFFAOYSA-N
-rxn:4:218631:227046,Cc1cc(OC(C)C)cc(-c2cnc(OCC3CCN(C4CCN(CC(F)(F)F)C4=O)CC3)nc2)c1,JSNOOOZDUCMFKD-UHFFFAOYSA-N
-rxn:4:218676:223028,CCCNC(=O)c1ccc(F)c(-c2c(C)nn(CCC(=O)N3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)c2C)c1,RQRVUWSEQHEOQY-UHFFFAOYSA-N
-rxn:4:218704:225975,Cc1cc(Cl)ccc1OCC(=O)N1CCCN(c2cc(-c3ccc(-c4ccnc(N5CCOCC5)c4Cl)cc3)n[nH]2)CC1,SPCKRSOQMKUUNF-UHFFFAOYSA-N
-rxn:4:218708:222513,COc1ccc(C(=O)N2CCCN(c3cc(-c4ccc(-c5cc(S(=O)(=O)NC6CCCCC6)ccc5OC)cc4)n[nH]3)CC2)c(OC)c1,MKHDHRGMPBGCRN-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:4:218711:224847,CC(C)(C)OC(=O)N1CCN(C2CCN(c3ccc([N+](=O)[O-])cc3-c3cc(C(C)(C)C)ccc3C(C)(C)C)CC2)CC1,ZNIGCTNXGQPFKF-UHFFFAOYSA-N
-rxn:4:218754:223930,Cc1cc2c(cnn2C(=O)OC(C)(C)C)cc1-c1csc2c(=O)n(C3CCN(C(=O)OC(C)(C)C)CC3)c(=O)n(CC#N)c12,MFXNMIWOKCJCBI-UHFFFAOYSA-N
-rxn:4:218768:223201,COc1ccc(CCC(=O)N2Cc3cnc(N4CCOCC4)nc3C2)cc1-c1ccccc1C1CCNC1,FENVAIUVQDCHOO-UHFFFAOYSA-N
-rxn:4:218777:225213,Cc1nn(C(C)CC(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)c(C)c1-c1ccc(N2CCN(C)CC2)cc1Cl,WFEMYZURYBENGM-UHFFFAOYSA-N
-rxn:4:218778:223498,Cc1cc(Cn2c(N3CC4(CN(C(=O)OC(C)(C)C)C4)C3)nc3c(-c4ccc(C(=O)N5CCCN(C(=O)OC(C)(C)C)CC5)cc4)cc(Cl)cc32)cc(C)c1F,RVMHYTHMZDTOEM-UHFFFAOYSA-N
-rxn:4:218778:228468,Cc1cc(Cn2c(N3CC4(CN(C(=O)OC(C)(C)C)C4)C3)nc3c(-c4cncc([N+](=O)[O-])c4C)cc(Cl)cc32)cc(C)c1F,WNJSTQKCXIGRTD-UHFFFAOYSA-N
-rxn:4:218851:223063,CN(c1cnc(-c2cc(F)nc(C3CCNCC3)c2)cn1)C1CN(C(=O)OC(C)(C)C)C1,QWYDCUSBZMBYHN-UHFFFAOYSA-N
-rxn:4:218892:222631,Cc1ccc(OCC2CCN(C(=O)c3cncc(-c4cc(C5CCNCC5)nc(C(C)(C)C)c4)c3)C2)nn1,YODMVIXAJLYKMM-UHFFFAOYSA-N
-rxn:4:219048:223062,O=S(=O)(c1ccc(-c2cnc(C3CCNCC3)cc2F)cc1)N1CCC(N(c2ccncn2)C2CC2)CC1,CNYSYXGDRHGQMO-UHFFFAOYSA-N
-rxn:4:219048:225346,COc1ccc(-c2ccc(S(=O)(=O)N3CCC(N(c4ccncn4)C4CC4)CC3)cc2)cc1S(=O)(=O)N(C)C,OILCTJUFHGYOSX-UHFFFAOYSA-N
-rxn:4:219062:224198,CCN1CCN(Cc2ccc(-c3cccnc3OC3CCN(S(=O)(=O)c4c(C)nn(C(C)C)c4C)C3)c(F)c2)CC1,IMSKPKUACIPTPU-UHFFFAOYSA-N
-rxn:4:219127:225209,Cc1nc(N2CCCCC2C)ncc1-c1ccccc1CCC(=O)N1C2CCC1CC(n1ccnn1)C2,KIJCEWQJBMTTAN-UHFFFAOYSA-N
-rxn:4:219155:224258,Cc1cnc(OCC23CCCC2CN(C(=O)c2cncc(-c4ccc(C(=O)N5CCCCC5C)cc4Cl)c2)C3)nc1,XDNGIHDDKQNRBF-UHFFFAOYSA-N
-rxn:4:219164:223649,CC(C)Cn1c(=O)c2ccccc2n(Cc2nc(-c3cccc(-c4cccc(N5CCN(C(=O)OC(C)(C)C)CC5)c4)c3)no2)c1=O,HFMZOBNNAPDQSO-UHFFFAOYSA-N
-rxn:4:219175:224257,CC1CCCCN1C(=O)c1ccc(Cl)c(-c2ccc(-c3cc(C(F)(F)F)n4nc(C(=O)N(C)C5CCCCC5)cc4n3)cc2)c1,PMRHFJGFVNXJLR-UHFFFAOYSA-N
-rxn:4:219242:224742,COc1cc(OC)c(C2OCCO2)cc1-c1cnnn1C1CN(C(=O)OC(C)(C)C)C1,OLVANHSCARYPRM-UHFFFAOYSA-N
-rxn:4:219320:224180,CN1CCN(CCOc2ccccc2-c2cnccc2OC2CCN(c3nccc(C(F)(F)F)n3)C2)CC1,CTZPFXRVRLWCTO-UHFFFAOYSA-N
-rxn:4:219338:225319,CN(C)C(=O)N1CCC(Oc2ncc(-c3cc(F)c(F)c(N4CCOCC4)c3)cn2)CC1,SCHZJCVYEAWZMQ-UHFFFAOYSA-N
-rxn:4:219377:223812,CCn1ccnc1N1CCN(C(=O)c2ccc(-c3cc(F)cc(CN4CCC5(CC4)OCCO5)c3)o2)CC1,HIGKBLDURNMLGE-UHFFFAOYSA-N
-rxn:4:219403:226004,COc1cc(OC(F)(F)F)cc(-c2cnn(CC3CN(C4CCN(C5CC5)C4=O)C3)c2)c1,AKJQQXCWJSZOIZ-UHFFFAOYSA-N
-rxn:4:219404:223059,CC(C)(C)OC(=O)N1CCN(c2cncc(-c3ccc(N4CCNCC4)cc3Cl)n2)CC1,AAKVQOVMIQIFIG-UHFFFAOYSA-N
-rxn:4:219407:223774,COc1cccc2c1cc(-c1cnc(N3CCN(C(=O)OC(C)(C)C)CC3)nc1)n2C(=O)OC(C)(C)C,FWUJWJNDMZPZPF-UHFFFAOYSA-N
-rxn:4:219457:224161,CC1CN(C(=O)OC(C)(C)C)CCC1n1cc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)C3)nn1,GRSGWXBLRHCUHE-UHFFFAOYSA-N
-rxn:4:219464:223530,Cc1cccnc1OCC1CCN(c2ncc(-c3cc(F)ccc3CN3CCN(C(=O)OC(C)(C)C)CC3)cn2)CC1,AWGGJHINCFBXRD-UHFFFAOYSA-N
-rxn:4:219473:225093,CCCOc1c(Cl)cc(-c2cnc(N3CCOC(C(=O)N4CCCC4)C3)nc2OC)cc1OCC,PTANZDFURFFPRW-UHFFFAOYSA-N
-rxn:4:219488:223589,Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1cnc(N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)nc1,LHNAMTCUOZXHTR-NRFANRHFSA-N
-rxn:4:219492:223894,CC(C)c1nnc(C2CCN(C(=O)c3cncc(-c4cccc(OCCCN5CCN(C)CC5)c4)c3)CC2)o1,SYEHFZJWCIESBS-UHFFFAOYSA-N
-rxn:4:219529:222724,COc1nc(N2CCCC(C(=O)N3CCOCC3)C2)ncc1-c1cnc(N2CCNCC2)c(C(F)(F)F)c1,SQMKHPFMGYLAPR-UHFFFAOYSA-N
-rxn:4:219534:223500,CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(-c3cncc(C(=O)N4CCC(n5nc(C6CC6)ccc5=O)CC4)c3)ccc2F)CC1,JELLEVUBYVXICJ-UHFFFAOYSA-N
-rxn:4:219543:222719,Cc1cc(C)c(C#N)c(N2CCN(S(=O)(=O)c3ccc(-c4cc(C5CCCNC5)nc(C(F)(F)F)c4)cc3)CC2)n1,FZINEXRDOOHOSA-UHFFFAOYSA-N
-rxn:4:219552:227480,CCCOc1nccc(-c2cnc(N3CCC(C(=O)N4CCC(F)(F)CC4)CC3)nc2OC)c1Cl,JZSKOSICGOVFQI-UHFFFAOYSA-N
-rxn:4:219692:223939,CC(C)(C)OC(=O)N1CCC(n2cc(-c3ccc4c(c3)N(C(=O)OC(C)(C)C)CCO4)c3cnc(Cl)nc32)CC1,SIYUZTDADJTWPF-UHFFFAOYSA-N
-rxn:4:219697:222798,Cc1cc(S(=O)(=O)NC(C)(C)C)ccc1-c1ccc(CC(=O)N2Cc3cnc(N4CCOCC4)nc3C2)cc1,UJOQKTRJQALSPY-UHFFFAOYSA-N
-rxn:4:219955:222684,O=C(C1CN(c2ncc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)cn2)CCO1)N1CCSCC1,ALKGYMPOMJJXED-UHFFFAOYSA-N
-rxn:4:220040:222791,CC(C)(C)OC(=O)Nc1ccc(Cl)c(-c2nc3n(n2)CCN(C(=O)OC(C)(C)C)C3)c1,LBVIKLQSYVYRJZ-UHFFFAOYSA-N
-rxn:4:220136:223696,O=S(=O)(c1ccc(-c2ccc3ncnc(N4CCN(S(=O)(=O)C5CC5)CC4)c3c2)cc1)N1CCC2(CC1)OCCO2,AMZTXZYPGICSKL-UHFFFAOYSA-N
-rxn:4:220209:224991,O=S(=O)(c1ccccc1-c1cc(C2CC2)nc(N2CCCC2)c1)N1CCCc2cnc(N3CCOCC3)nc21,FVGUUAYTDBAWMK-UHFFFAOYSA-N
-rxn:4:220811:223651,Cc1nc(C2CCN(C(=O)OC(C)(C)C)C2)ccc1-c1ccc(N2CCN(C)CC2)nn1,DJBXBPNERKGIEG-UHFFFAOYSA-N
-rxn:4:221117:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc4nc(N(CCN5CCOCC5)C(=O)c5cnccn5)sc4c3)c2)CC1,QNRXLZQFHUUERG-UHFFFAOYSA-N
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-rxn:4:221136:223815,COc1cc(OC)nc(N2CC(Cn3cc(-c4ccc(Cl)c(CN5CCC6(CC5)OCCO6)c4)cn3)C2)n1,YIOXZPVWDNCBDI-UHFFFAOYSA-N
-rxn:4:221153:222634,N#Cc1ccnc(OCC2CCCN(c3ncc(-c4ccc(OCCNC5CCCC5)c(F)c4)cn3)C2)c1,OBFBGJRMJPDNDS-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:4:221173:223595,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:4:221205:223832,COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1-c1ccc(CCN2CCN(c3ccnc(N4CCOCC4)n3)CC2)cc1,PXUPTLBHEHHMLO-UHFFFAOYSA-N
-rxn:4:221245:224718,Cc1nc2ccc(OCC3CCN(C(=O)c4cncc(-c5ccc(OCCN6CCOCC6)nc5)c4)CC3)nn2c1C,XJNBZFJVQHSZFH-UHFFFAOYSA-N
-rxn:4:221387:224318,Cc1ncnc(OCC2CCN(c3ncc(-c4ccc(C(=O)N5CCN(C)CC5)c(F)c4)cn3)CC2)c1C,TVRWVSBUHALWBV-UHFFFAOYSA-N
-rxn:4:221394:222810,CC(C)(C)OC(=O)Nc1cc(-c2cnc(N3CCC(Cn4nc(C5CC5)ccc4=O)CC3)nc2)c(Cl)cn1,PTEVHRALEQZTLK-UHFFFAOYSA-N
-rxn:4:221394:223576,CC(C)(C)OC(=O)N1CCC(Oc2cccc(-c3cnc(N4CCC(Cn5nc(C6CC6)ccc5=O)CC4)nc3)c2)CC1,QYMGADOXFLAYRK-UHFFFAOYSA-N
-rxn:4:221412:223646,Cc1nc(C)c(C)c(OCC2CCN(c3ncc(-c4ccc(OC5CCN(C(=O)OC(C)(C)C)C5)cc4)cn3)CC2)n1,ZKOFOJOHXLKFFW-UHFFFAOYSA-N
-rxn:4:221422:223786,CN1CCN(CCCOc2ccc(-c3ccc(Cl)c(C(=O)N4CCN(c5ccc(N6CCOCC6)nn5)CC4)c3)cc2Cl)CC1,VJFBBZLTIRCHGN-UHFFFAOYSA-N
-rxn:4:221431:225817,Cc1cc(N2CCCC2)nc(N2CCN(C(=O)c3ccccc3-c3ccc(C(F)(F)F)c(C4CC4)c3)CC2)n1,VRHFYKLFYANNGF-UHFFFAOYSA-N
-rxn:4:221432:226540,CCOC(=O)c1ccc(F)c(-c2cccc(C(=O)N3CCN(c4nc(C)cc(N5CCCC5)n4)CC3)c2)c1,LFJWRDMNNWETJY-UHFFFAOYSA-N
-rxn:4:221440:223998,Cc1cc(N2CCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(S(=O)(=O)N5CCC(C)CC5)c(F)c4)cc3)CC2)n1,AEMUPMXUNMCNRS-UHFFFAOYSA-N
-rxn:4:221447:222466,Cc1cc(N2CCN(Cc3ccc(-c4cc(C5CCCCC5)nc(C5CCNCC5)c4)cc3)CC2)nc(N2CCOCC2)n1,NVSHJXNWYDUAJB-UHFFFAOYSA-N
-rxn:4:221447:222851,CCc1cc(-c2ccc(CN3CCN(c4cc(C)nc(N5CCOCC5)n4)CC3)cc2)cc(C2CCNCC2)n1,SMOHTOYXWYASCF-UHFFFAOYSA-N
-rxn:4:221447:222962,CCCCNC(=O)c1ccc(-c2ccc(CN3CCN(c4cc(C)nc(N5CCOCC5)n4)CC3)cc2)cc1,YBOGVUVIUUWMGT-UHFFFAOYSA-N
-rxn:4:221498:223556,CC(C)(C)OC(=O)N1CCN(c2ncnc3[nH]cc(-c4ccc5c(c4)c4ccccc4n5C(=O)OC(C)(C)C)c23)CC1,DNUQADDZOKVOIY-UHFFFAOYSA-N
-rxn:4:221498:224719,CC(C)c1nn(C(=O)OC(C)(C)C)cc1-c1c[nH]c2ncnc(N3CCN(C(=O)OC(C)(C)C)CC3)c12,GQNJXWFQSJTRBW-UHFFFAOYSA-N
-rxn:4:221634:222718,Cc1ccnc(N2CCN(c3ncc(-c4cc(S(=O)(=O)N5CCNCC5)ccc4C)cc3C(F)(F)F)CC2)n1,JOCKKZZCSWGYKL-UHFFFAOYSA-N
-rxn:4:221641:222702,O=c1ccc(C2CC2)nn1C1CCN(c2ncc(-c3cc(C4CCCNC4)ccc3C(F)(F)F)cn2)CC1,UMSRMQSOQLFPEY-UHFFFAOYSA-N
-rxn:4:221939:223533,Cn1ncnc1CN1CCC(COc2ncc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)cc3F)cn2)CC1,CAYMHFFWTMBXRW-UHFFFAOYSA-N
-rxn:4:221976:223671,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5cccc(-c6ccnc(N7CCN(C(=O)OC(C)(C)C)CC7)c6)c5)no4)C3C2=O)cc1,MWRAAEJHUQROEJ-UHFFFAOYSA-N
-rxn:4:222039:225382,O=C(c1cc(-c2cc(C(F)(F)F)ccc2C(F)(F)F)ccc1-n1cnnn1)N1CCN(C2CCS(=O)(=O)C2)CC1,SZKWXFSUTJGWDP-UHFFFAOYSA-N
-rxn:4:222062:223239,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cncc(C5CCCN5)c4)cc3)CC2)n1,ZRRZHLSILRTFBB-UHFFFAOYSA-N
-rxn:4:222102:223839,COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1ccc(-c2noc(CN3N=NC4C(=O)N(c5ccc(C)cc5)C(=O)C43)n2)cc1,LQZOZDXPEKJNTP-UHFFFAOYSA-N
-rxn:4:222112:223480,Cc1cc(-c2cnc(N3CCC(COc4ccc5nc(C)c(C)n5n4)CC3)nc2)cc(C)c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,WHZSBAMHEITELY-UHFFFAOYSA-N
-rxn:4:222167:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCN(c5nc(C6CC6)nc(C)c5C)CC4)nc3)cc2)CC1,HVTJQVFOOYLYFU-UHFFFAOYSA-N
-rxn:4:222169:224391,Cc1nc(N2CCN(c3ncc(-c4ccc(S(=O)(=O)N5CCOCC5)cc4C)cn3)CC2)cc(C(C)(C)C)n1,KQBLLZHVNGLFBS-UHFFFAOYSA-N
-rxn:4:222331:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cnc(N2CCN(c3nccc(N4CCOCC4)n3)CC2)nc1,JTOMCTHBQQMBJK-UHFFFAOYSA-N
-rxn:4:222338:224759,Cc1nc(N2CCOCC2)cc(N2CCN(c3ncc(-c4cc(F)cc(C(=O)N5CCOCC5)c4)cn3)CC2)n1,JUPODBDXOWINCB-UHFFFAOYSA-N
-rxn:4:222389:217197,CC1CCCCN1c1ncc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)c(Cl)n1,VYIJQWCGEWKKSC-UHFFFAOYSA-N
-rxn:4:222523:215027,CC(C)(C)NS(=O)(=O)c1ccc(-c2cnn3c2N(C(=O)OC(C)(C)C)CC3)c(C(F)(F)F)c1,NINUAHJAKKKKFN-UHFFFAOYSA-N
-rxn:4:222541:219479,O=C(NCCN1CCCCC1)c1ccc(-c2ccc(Cl)c(C(=O)N3CCCN(S(=O)(=O)c4c[nH]cn4)CC3)c2)cc1,ZONHKUQYBNOYDI-UHFFFAOYSA-N
-rxn:4:222580:204103,O=C(c1ccc(-c2ccc(S(=O)(=O)NC3CC3)c3ccccc23)cc1)N1CCC(N2CCCC2)CC1,BIBBJLHHXRMDRB-UHFFFAOYSA-N
-rxn:4:222581:187557,CC(C)NS(=O)(=O)c1ccc(-c2ccc([C@H]3CCCC(=O)N3C(=O)OC(C)(C)C)cc2)c2ccccc12,YDVGUYBYWHWTTQ-RUZDIDTESA-N
-rxn:4:222600:185535,COC(=O)[C@@H]1Cc2ccc(-c3ccc4nc(NC(=O)OC(C)(C)C)sc4c3)cc2CN1C(=O)OC(C)(C)C,UNAQTPZLKLPNLT-NRFANRHFSA-N
-rxn:4:222602:175797,COC(=O)c1ccc(-c2cc(CC(C)C)sc2S(=O)(=O)NC(C)(C)C)cc1-c1ccc(C(F)(F)F)cc1,FSGCKIOPWLNQLL-UHFFFAOYSA-N
-rxn:4:222712:187051,CC(C)N(C(=O)c1cc(F)ccc1-c1ccc(NC(=O)OC(C)(C)C)c(F)c1F)C(C)C,YJIVCLXJNGKZNP-UHFFFAOYSA-N
-rxn:4:222752:174656,Cc1cc(NC(=O)OC(C)(C)C)ccc1-c1cccc2cccc(C#C[Si](C(C)C)(C(C)C)C(C)C)c12,QODYHHMSIOMJHM-UHFFFAOYSA-N
-rxn:4:222790:174516,CC(C)[Si](Oc1ccccc1-c1cc(Cl)cc(NC(=O)OC(C)(C)C)c1)(C(C)C)C(C)C,RGAXLALIZZADJX-UHFFFAOYSA-N
-rxn:4:222910:174944,CCCNS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)c(C(=O)OC)cc2C(F)(F)F)c(C)c1,XZIDZHMNWBAUSZ-UHFFFAOYSA-N
-rxn:4:223082:184693,CNS(=O)(=O)c1c(C)cc(-c2cc(OC(F)(F)F)cc(S(=O)(=O)C(C)(C)C#N)c2)cc1C,NVFFLHRBPIHOPP-UHFFFAOYSA-N
-rxn:4:223102:187202,CC(C)(C)NS(=O)(=O)c1sccc1-c1cc(C2CN(C(=O)OC(C)(C)C)C2)ccc1Cl,IXEXOXUAKCJMOD-UHFFFAOYSA-N
-rxn:4:223570:184391,COC(=O)Cc1cc(C(F)F)cc(-c2c(F)ncc3c2ccn3[Si](C(C)C)(C(C)C)C(C)C)c1C#N,ALHJCAOIWWRTRV-UHFFFAOYSA-N
-rxn:5:177445:225927:225456,CC(C)=CCOc1ccc(-c2cc(C(F)(F)F)ccc2N(C)C)cc1-c1ccc(C2CCN(C)CC2)cc1,VBGIVFDVZXJOAO-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:5:177736:226045:227279,CC(C)n1nc(C2CC2)cc1-c1ccc(C(=O)OC(C)(C)C)cc1-c1ccc(C(F)(F)C(F)(F)F)nc1,FARKFZHZANHIEZ-UHFFFAOYSA-N
-rxn:5:178118:225831:227710,Cc1cc(-c2ccc(-c3ccc(OS(C)(=O)=O)cc3)cc2OCC2CCCCO2)cnc1N1CCOCC1,SSJHJTSVPUNCTD-UHFFFAOYSA-N
-rxn:5:178295:226346:227819,CCc1cc(CC)cc(-c2ccc(-c3cc(C)cc(OC(C)C)c3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,XWLUHBXVTSORFJ-UHFFFAOYSA-N
-rxn:5:178295:226601:227819,CCc1cc(CC)cc(-c2ccc(-c3c(OC(C)C)ccc(F)c3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,YEEJNPGTWUKABH-UHFFFAOYSA-N
-rxn:5:178295:226772:227077,CCC(C)c1ccc(-c2ccc(-c3c(F)cc(C(=O)OC)cc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)c1,XGBNVOFONHQAIA-UHFFFAOYSA-N
-rxn:5:178295:227045:227940,CCc1cc(SC)cc(-c2ccc(-c3cccc(SC(C)(C)C)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,WDPPLTBFFQSMNZ-UHFFFAOYSA-N
-rxn:5:178295:227076:227831,CCc1c(C)cc(-c2ccc(-c3cc(C(C)CC)ccc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc1C,ZHRLCCRQFVHIOB-UHFFFAOYSA-N
-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:5:178295:227525:226765,CCc1cnc(C(F)F)cc1-c1ccc(-c2ccc(C(=O)OC)c(F)c2F)cc1C1(C(=O)OC)CCC(=O)CC1,YGXKEQTZLVPSSL-UHFFFAOYSA-N
-rxn:5:178295:227669:228189,CCSc1ccc(F)c(-c2ccc(-c3cc(C)c(F)c(OC)c3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,MNXJDHJABFLDDI-UHFFFAOYSA-N
-rxn:5:178295:228272:227309,CCC(C)c1cc(-c2ccc(-c3ccc(C)c(OC)c3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc(F)n1,LXNUPFAICFEXGB-UHFFFAOYSA-N
-rxn:5:178295:228562:226068,CCC(C)c1csc(-c2ccc(-c3c(C)cc(C(C)(C)C)cc3C)cc2C2(C(=O)OC)CCC(=O)CC2)c1,LJAJOHROKAIJOI-UHFFFAOYSA-N
-rxn:5:178353:222998:225834,Cc1cc(S(=O)(=O)Oc2ccc(-c3cc(N4CCCCC4)ncc3F)c(C)c2)c(C)cc1-c1cc(F)cc(C2CCCNC2)c1,JHABNPSEGSFLGN-UHFFFAOYSA-N
-rxn:5:178466:225980:223061,CC(C)OC(=O)c1sc2cc(-c3cc(N4CCOCC4)ncc3F)ccc2c1-c1cc(C2CCNCC2)ncc1F,NGXBTIAUFIYJDN-UHFFFAOYSA-N
-rxn:5:178467:223062:227376,CCOC(=O)C1=Cc2cc(-c3cncc(N4CCCC4)c3)cc(-c3cnc(C4CCNCC4)cc3F)c2OC1,UZLJYYXAEJEWBX-UHFFFAOYSA-N
-rxn:5:178467:225833:226366,CCOC(=O)C1=Cc2cc(-c3ccnc(N4CCCCC4)c3)cc(-c3ccnc(N4CCCCC4)c3F)c2OC1,FDDYYTMMLOQDPJ-UHFFFAOYSA-N
-rxn:5:178467:225982:228653,CCOC(=O)C1=Cc2cc(-c3cnn4c3CCCC4)cc(-c3cnc(N4CCOCC4)cc3F)c2OC1,XMWYLZXXZRAUSA-UHFFFAOYSA-N
-rxn:5:178467:227093:223061,CCOC(=O)C1=Cc2cc(-c3cc(C4CCNCC4)ncc3F)cc(-c3cccnc3C3CCCC3)c2OC1,CIXHAQFHLIRFRS-UHFFFAOYSA-N
-rxn:5:178467:227625:226662,CCOC(=O)C1=Cc2cc(-c3ccc(N4CCN(C)CC4)s3)cc(-c3cnc(C4CCCO4)nc3)c2OC1,WCUSLDWLGILTRV-UHFFFAOYSA-N
-rxn:5:178467:228653:225976,CCOC(=O)C1=Cc2cc(-c3ccnc(N4CCOCC4)c3F)cc(-c3cnn4c3CCCC4)c2OC1,VZSGSHXFKNEIFN-UHFFFAOYSA-N
-rxn:5:180421:226395:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(CC2CCCCC2)cc1-c1cncc(N2CCCCC2)c1,BJDKNCFKSHMAQQ-UHFFFAOYSA-N
-rxn:5:180602:226794:223058,COC(=O)C1Cc2cc(-c3cc(F)nc(C4CCCNC4)c3)cc(-c3cnc(N4CCSCC4)nc3)c2O1,NQRMJQQQIVUDRI-UHFFFAOYSA-N
-rxn:5:180662:222409:226374,COC(=O)C1=Cc2cc(-c3cncnc3C3CCCCC3)cc(-c3ccc(OC)c(S(N)(=O)=O)c3)c2OC1,JCPQTHFBRROXID-UHFFFAOYSA-N
-rxn:5:180662:223061:225849,COC(=O)C1=Cc2cc(-c3cnc(N4CCCCC4)cc3F)cc(-c3cc(C4CCNCC4)ncc3F)c2OC1,WBZRMNLXDHVADL-UHFFFAOYSA-N
-rxn:5:181629:225607:226661,Cc1cc(S(C)(=O)=O)cc(-c2ccc(C(C)N3CCCCC3)s2)c1-c1cc(N2CCN(C)CC2)cs1,NJQDJCWPSBRJOB-UHFFFAOYSA-N
-rxn:5:181629:226661:225607,Cc1cc(S(C)(=O)=O)cc(-c2cc(N3CCN(C)CC3)cs2)c1-c1ccc(C(C)N2CCCCC2)s1,XNYAPPIJXOXOCX-UHFFFAOYSA-N
-rxn:5:181904:225832:226645,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(C2OCCO2)c(C)c1-c1ccnc(N2CCOCC2)c1,CEWQRCWVEWZSSY-UHFFFAOYSA-N
-rxn:5:181905:226426:225985,Cc1ccc(-c2cccc(N3CCCS3(=O)=O)c2)c(C2OCCO2)c1-c1ccc(N2CCC(C)CC2)s1,NIQTZFTXFOVFRN-UHFFFAOYSA-N
-rxn:5:182011:226179:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(C2CCOCC2)ccc1-c1cncc(C2CCCCC2)c1,UUPVAEYKGFFXEQ-UHFFFAOYSA-N
-rxn:5:182013:222958:225986,Cc1ccc(-c2ccc(-c3ccccc3N3CCCS3(=O)=O)c(C3CCOCC3)c2)cc1C1CCNCC1,BXVNNALPEUBLGE-UHFFFAOYSA-N
-rxn:5:182013:222959:225986,Cc1cc(-c2ccc(-c3ccccc3N3CCCS3(=O)=O)c(C3CCOCC3)c2)ccc1C1CCNCC1,SIAYIUOHQVRSBK-UHFFFAOYSA-N
-rxn:5:188460:223004:223139,COC(=O)c1cc([N+](=O)[O-])c(-c2ccc(C3CCNCC3)nc2)cc1-c1ccc(C2CCNCC2)c(F)c1,KVZNOQDOFRJXMR-UHFFFAOYSA-N
-rxn:5:188460:223006:223061,COC(=O)c1cc([N+](=O)[O-])c(-c2cc(C3CCNCC3)ncc2F)cc1-c1ccc(F)c(C2CCNCC2)c1,QAVGOJYUAUTCFP-UHFFFAOYSA-N
-rxn:5:188460:223006:223064,COC(=O)c1cc([N+](=O)[O-])c(-c2ccc(C3CCNCC3)nc2F)cc1-c1ccc(F)c(C2CCNCC2)c1,PHDFNAAWBZRYFS-UHFFFAOYSA-N
-rxn:5:188460:223006:223139,COC(=O)c1cc([N+](=O)[O-])c(-c2ccc(C3CCNCC3)nc2)cc1-c1ccc(F)c(C2CCNCC2)c1,FLXTVXTZXMGHPP-UHFFFAOYSA-N
-rxn:5:188460:223007:223061,COC(=O)c1cc([N+](=O)[O-])c(-c2cc(C3CCNCC3)ncc2F)cc1-c1cc(F)cc(C2CCNCC2)c1,WAHMFEFKKZUYKC-UHFFFAOYSA-N
-rxn:5:188460:223007:223064,COC(=O)c1cc([N+](=O)[O-])c(-c2ccc(C3CCNCC3)nc2F)cc1-c1cc(F)cc(C2CCNCC2)c1,TVCFTRRRVIWDTQ-UHFFFAOYSA-N
-rxn:5:188460:223007:223139,COC(=O)c1cc([N+](=O)[O-])c(-c2ccc(C3CCNCC3)nc2)cc1-c1cc(F)cc(C2CCNCC2)c1,VJMVHTAIIUXSHV-UHFFFAOYSA-N
-rxn:5:188460:223139:223000,COC(=O)c1cc([N+](=O)[O-])c(-c2ccc(C3CCCNC3)c(F)c2)cc1-c1ccc(C2CCNCC2)nc1,YFVBVPOEEZVSSE-UHFFFAOYSA-N
-rxn:5:188460:223139:223002,COC(=O)c1cc([N+](=O)[O-])c(-c2ccc(C3CCNCC3)cc2F)cc1-c1ccc(C2CCNCC2)nc1,LWHQLXJULVBCHX-UHFFFAOYSA-N
-rxn:5:188460:223139:223004,COC(=O)c1cc([N+](=O)[O-])c(-c2ccc(C3CCNCC3)c(F)c2)cc1-c1ccc(C2CCNCC2)nc1,PKNCXXWFCRBTHW-UHFFFAOYSA-N
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-rxn:5:188460:223139:223007,COC(=O)c1cc([N+](=O)[O-])c(-c2cc(F)cc(C3CCNCC3)c2)cc1-c1ccc(C2CCNCC2)nc1,YAMBLBPJONESBD-UHFFFAOYSA-N
-rxn:5:188460:225943:223058,COC(=O)c1cc([N+](=O)[O-])c(-c2cc(F)nc(C3CCCNC3)c2)cc1-c1ccc(C(=O)N2CCOCC2)s1,VPPHWCUYAWWVEJ-UHFFFAOYSA-N
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-rxn:5:188930:225613:227093,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccnc(OC3CCCCC3)c2)cc1-c1cccnc1C1CCCC1,LZFBAWWXDHDBFV-UHFFFAOYSA-N
-rxn:5:188931:223139:223135,COC(=O)c1cc(-c2ccc(C3CCNCC3)nc2)cc(S(N)(=O)=O)c1-c1cccnc1C1CCCNC1,GVOMQHIRNMKWAZ-UHFFFAOYSA-N
-rxn:5:188931:226649:223135,COC(=O)c1cc(-c2cccnc2N2CCOCC2)cc(S(N)(=O)=O)c1-c1cccnc1C1CCCNC1,JXAYVEGAQYRHLX-UHFFFAOYSA-N
-rxn:5:189207:223002:229081,CN(C)c1ccc(-c2ccc(-c3ccc(C4CCNCC4)cc3F)cc2C(=O)ON2C(=O)CCC2=O)s1,GOBPRPZUOPKVRZ-UHFFFAOYSA-N
-rxn:5:189207:223002:229147,COCn1ccc(-c2ccc(-c3ccc(C4CCNCC4)cc3F)cc2C(=O)ON2C(=O)CCC2=O)n1,GCPOCANRYCCUGU-UHFFFAOYSA-N
-rxn:5:189208:223002:229147,COCn1ccc(-c2cc(-c3ccc(C4CCNCC4)cc3F)ccc2C(=O)ON2C(=O)CCC2=O)n1,BBCMCQFLUQWYOW-UHFFFAOYSA-N
-rxn:5:189208:223061:225507,COC(=O)C1CCc2cc(-c3cc(-c4cc(C5CCNCC5)ncc4F)ccc3C(=O)ON3C(=O)CCC3=O)ccc21,RYPZNJSWQZJMFH-UHFFFAOYSA-N
-rxn:5:189208:223064:225507,COC(=O)C1CCc2cc(-c3cc(-c4ccc(C5CCNCC5)nc4F)ccc3C(=O)ON3C(=O)CCC3=O)ccc21,OSRKFWNASMLXED-UHFFFAOYSA-N
-rxn:5:189209:226331:228234,N#CC1(c2ccc(-c3cc(C(=O)ON4C(=O)CCC4=O)cc(-c4c(C5CC5)ccnc4F)c3)c(F)c2)CC1,WEFSSRWSCYZLCT-UHFFFAOYSA-N
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-rxn:5:189211:225815:226579,CN(C)C(=O)c1cc(F)cc(-c2c(C(=O)ON3C(=O)CCC3=O)cccc2-c2ccc(C3CC3)cc2C(F)(F)F)c1,FLBBQQQOZVDWIC-UHFFFAOYSA-N
-rxn:5:189212:223007:229081,CN(C)c1ccc(-c2ccc(C(=O)ON3C(=O)CCC3=O)cc2-c2cc(F)cc(C3CCNCC3)c2)s1,ULZWBIUPORCJKC-UHFFFAOYSA-N
-rxn:5:189212:227108:227284,N#Cc1cc(-c2ccc(C(=O)ON3C(=O)CCC3=O)cc2-c2cc(C3CCC3)ccc2F)c(C2CC2)cn1,KQSHLZDGCJUYNZ-UHFFFAOYSA-N
-rxn:5:189212:227120:227284,N#Cc1cc(-c2ccc(C(=O)ON3C(=O)CCC3=O)cc2-c2ccc(C3CCC3)cc2F)c(C2CC2)cn1,DJULZPUXDNFQFG-UHFFFAOYSA-N
-rxn:5:189212:227379:228140,CC(c1ccc(-c2ccc(C(=O)ON3C(=O)CCC3=O)cc2-c2cccnc2N2CCCC2)s1)N(C)C,LXPVYBQFTQRVDQ-UHFFFAOYSA-N
-rxn:5:189212:229081:223007,CN(C)c1ccc(-c2cc(C(=O)ON3C(=O)CCC3=O)ccc2-c2cc(F)cc(C3CCNCC3)c2)s1,WXOPZTWODSKQQS-UHFFFAOYSA-N
-rxn:5:189665:226581:222958,Cc1ccc(-c2cc(-c3cccc(C(=O)N(C)C)c3F)cnc2OCC2CCOCC2)cc1C1CCNCC1,BREOSABOIVYHCP-UHFFFAOYSA-N
-rxn:5:189672:226150:226146,CC(C)(C)S(=O)/N=C/c1cccc(-c2cccc(SC3CCCC3)c2)c1-c1ccc(SC2CCCC2)cc1,AZTGMZUKDYVCCY-PPFNPFNJSA-N
-rxn:5:189718:226794:227447,O=[N+]([O-])c1cc(-c2c(F)ccc(C3CC3)c2F)c(-c2cnc(N3CCSCC3)nc2)cc1OC1CCOCC1,ICMPBYGIHLJBSL-UHFFFAOYSA-N
-rxn:5:189908:227804:226437,O=[N+]([O-])c1cc(-c2cnc(-c3cc(C4CCCC4)ncc3F)c(OCC3CCCCC3)c2)c([N+](=O)[O-])s1,WSGHKTPBROKQPB-UHFFFAOYSA-N
-rxn:5:189909:226644:225976,Fc1c(-c2ccc(-c3cncc(N4CCOCC4)c3)c(CCN3CCOCC3)c2)ccnc1N1CCOCC1,VROWOQNBHAIBLX-UHFFFAOYSA-N
-rxn:5:189952:226571:223113,COc1c(-c2ccc3c(c2)C(C)(C)C(=O)N3)cc(C(=O)N2CCOCC2)cc1-c1cnn(CC2CCOCC2)c1,ZDYCGCASFQPQKN-UHFFFAOYSA-N
-rxn:5:190131:228434:225623,COc1c(-c2cccc(OC3CCOCC3)c2)cc(C(=O)N2CCCCC2)cc1-c1ccc(C(F)F)c(F)c1,PJIAMWKYFIWRSD-UHFFFAOYSA-N
-rxn:5:190194:226182:227506,COC1CCN(Cc2cccc(-c3cccnc3C3CCCCC3)c2-c2cccc(/C=C/[N+](=O)[O-])c2)CC1,YGIJUFQWHPACCV-RCCKNPSSSA-N
-rxn:5:190194:226182:227507,COC1CCN(Cc2cccc(-c3cccnc3C3CCCCC3)c2-c2cccc(C=C[N+](=O)[O-])c2)CC1,YGIJUFQWHPACCV-UHFFFAOYSA-N
-rxn:5:190194:227506:226139,COC1CCN(Cc2cccc(-c3cccc(/C=C/[N+](=O)[O-])c3)c2-c2cc(C3CC3)cnc2C2CC2)CC1,PKGJCTGSECTGMM-SFQUDFHCSA-N
-rxn:5:190194:227507:226139,COC1CCN(Cc2cccc(-c3cccc(C=C[N+](=O)[O-])c3)c2-c2cc(C3CC3)cnc2C2CC2)CC1,PKGJCTGSECTGMM-UHFFFAOYSA-N
-rxn:5:190197:223058:226661,CN1CCN(c2csc(-c3ccc(CN(C)C4CCOCC4)c(-c4cc(F)nc(C5CCCNC5)c4)c3)c2)CC1,GGJQIQWXQQGWPT-UHFFFAOYSA-N
-rxn:5:190197:223058:227301,CN(C)Cc1cc(F)ccc1-c1ccc(CN(C)C2CCOCC2)c(-c2cc(F)nc(C3CCCNC3)c2)c1,CZFPCLORSNLSPW-UHFFFAOYSA-N
-rxn:5:190197:223064:227301,CN(C)Cc1cc(F)ccc1-c1ccc(CN(C)C2CCOCC2)c(-c2ccc(C3CCNCC3)nc2F)c1,PSVJLPXNQPVAKQ-UHFFFAOYSA-N
-rxn:5:190197:225607:227301,CC(c1ccc(-c2cc(-c3ccc(F)cc3CN(C)C)ccc2CN(C)C2CCOCC2)s1)N1CCCCC1,VVMRQOOCTKMSRI-UHFFFAOYSA-N
-rxn:5:190197:225803:223113,CN(Cc1ccc(-c2ccc3c(c2)C(C)(C)C(=O)N3)cc1-c1ccnc(OC2CCOCC2)c1)C1CCOCC1,ZSCCJUVARFKRIN-UHFFFAOYSA-N
-rxn:5:190197:225982:227301,CN(C)Cc1cc(F)ccc1-c1ccc(CN(C)C2CCOCC2)c(-c2cnc(N3CCOCC3)cc2F)c1,ZUFLAECRYAMLKZ-UHFFFAOYSA-N
-rxn:5:190197:226425:227301,CC1CCCCN1c1ccc(-c2cc(-c3ccc(F)cc3CN(C)C)ccc2CN(C)C2CCOCC2)s1,OSGXRSHRHJOLRG-UHFFFAOYSA-N
-rxn:5:190197:227301:223058,CN(C)Cc1cc(F)ccc1-c1cc(-c2cc(F)nc(C3CCCNC3)c2)ccc1CN(C)C1CCOCC1,YLPZUXKMZWWFHR-UHFFFAOYSA-N
-rxn:5:190197:227301:223064,CN(C)Cc1cc(F)ccc1-c1cc(-c2ccc(C3CCNCC3)nc2F)ccc1CN(C)C1CCOCC1,ROPWZOXRDICAOU-UHFFFAOYSA-N
-rxn:5:190197:227301:225982,CN(C)Cc1cc(F)ccc1-c1cc(-c2cnc(N3CCOCC3)cc2F)ccc1CN(C)C1CCOCC1,XRGVOWYCNBRFJC-UHFFFAOYSA-N
-rxn:5:190197:228361:225849,CN(C)c1cc(-c2cc(-c3cnc(N4CCCCC4)cc3F)ccc2CN(C)C2CCOCC2)c(F)cn1,ZSGAMBOJCCFNEQ-UHFFFAOYSA-N
-rxn:5:190197:228361:225982,CN(C)c1cc(-c2cc(-c3cnc(N4CCOCC4)cc3F)ccc2CN(C)C2CCOCC2)c(F)cn1,HGROWNOOFXYEQF-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:5:190199:222417:223062,CC(C)c1[nH]c(=O)ncc1-c1ccc(-c2cnc(C3CCNCC3)cc2F)cc1CN(C)C1CCOCC1,GDOBPNWMLOLSAT-UHFFFAOYSA-N
-rxn:5:190199:223062:228231,CN(C)c1ccc(-c2ccc(-c3cnc(C4CCNCC4)cc3F)c(CN(C)C3CCOCC3)c2)c(F)c1,ZDUUDYORZISGQR-UHFFFAOYSA-N
-rxn:5:190199:223135:227710,CN(Cc1cc(-c2ccc(OS(C)(=O)=O)cc2)ccc1-c1cccnc1C1CCCNC1)C1CCOCC1,AOCAUDFLUKBFLW-UHFFFAOYSA-N
-rxn:5:190199:225982:228206,CN(C)c1cc(F)cc(-c2ccc(-c3cnc(N4CCOCC4)cc3F)c(CN(C)C3CCOCC3)c2)c1,SEYDKCJEADRHQP-UHFFFAOYSA-N
-rxn:5:190199:226149:226058,COc1ccc(-c2ccc(-c3c(C(C)C)cccc3C(C)C)cc2CN(C)C2CCOCC2)cc1C(C)(C)C,RWCQCXCFXABOBJ-UHFFFAOYSA-N
-rxn:5:190200:225440:227788,CN(Cc1cc(-c2ccc(C3(C#N)CCCC3)cc2)cc(-c2cc(C(F)(F)F)cnc2F)c1)C1CCOCC1,CIIOBCSKHVBZAG-UHFFFAOYSA-N
-rxn:5:190200:225879:227095,CN(Cc1cc(-c2ccc(C3CC(=O)C3)cc2)cc(-c2ccc(N3CCOCC3)cc2F)c1)C1CCOCC1,GCZDGJNPRMXPKP-UHFFFAOYSA-N
-rxn:5:190335:223438:227358,CCOc1cc(C)cc(-c2cc(C(=O)N3CCCCC3C)cc(-c3cn[nH]c3C(F)(F)F)c2OC)c1F,DOKVXQYHLSPYBJ-UHFFFAOYSA-N
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-rxn:5:190336:227962:226851,COc1cc(-c2cc(C(=O)N3CCCC(C)C3)cc(-c3cc(C)nc(C4CC4)c3)c2OC)c(C(F)(F)F)cn1,VZVPYZCTCIEZFT-UHFFFAOYSA-N
-rxn:5:190484:227777:228156,COc1ccc(OC)c(-c2ccccc2C2CCN(C(=O)c3cccc(-c4cc(F)c(F)cc4[N+](=O)[O-])c3)CCS2(=O)=O)c1,ULNRCDRJUFBDFV-UHFFFAOYSA-N
-rxn:5:190742:223065:225976,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(N4CCNCC4)cc3F)c2c1-c1ccnc(N2CCOCC2)c1F,WWNFIIQPFRKZSP-UHFFFAOYSA-N
-rxn:5:190743:223061:223006,CCOC(=O)c1cnc2c(C)c(-c3cc(C4CCNCC4)ncc3F)ccc2c1-c1ccc(F)c(C2CCNCC2)c1,OQVYCNOJWRICFB-UHFFFAOYSA-N
-rxn:5:190743:223061:225980,CCOC(=O)c1cnc2c(C)c(-c3cc(C4CCNCC4)ncc3F)ccc2c1-c1cc(N2CCOCC2)ncc1F,GXQFYEFIBGUKTA-UHFFFAOYSA-N
-rxn:5:190743:223062:225976,CCOC(=O)c1cnc2c(C)c(-c3cnc(C4CCNCC4)cc3F)ccc2c1-c1ccnc(N2CCOCC2)c1F,NWZKKMLKHNGZMD-UHFFFAOYSA-N
-rxn:5:190744:223006:225784,CCOC(=O)c1cnc2c(-c3ccc(F)c(C4CCNCC4)c3)c(C)ccc2c1-c1ccc(CN2CCOCC2)nc1,FQMCLIKHAPSBGG-UHFFFAOYSA-N
-rxn:5:190744:225982:223063,CCOC(=O)c1cnc2c(-c3cnc(N4CCOCC4)cc3F)c(C)ccc2c1-c1cc(F)nc(C2CCNCC2)c1,VOYGJDKXNOIKFS-UHFFFAOYSA-N
-rxn:5:190796:225450:226059,CC(C)c1ccc(-c2cccc3c2c(-c2ccc(C(=O)C4CCCC4)cc2)cn3C(=O)OC(C)(C)C)c(C(C)C)c1,XAXAUROPDRHRKG-UHFFFAOYSA-N
-rxn:5:190832:225655:225833,CCOC(=O)c1cnc2cc(C)c(-c3cncc(N4CCC(C)CC4)c3)c(C)c2c1-c1ccnc(N2CCCCC2)c1F,QALFGZHOQGWGOM-UHFFFAOYSA-N
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-rxn:5:190833:227065:228388,Cc1cnc(C(F)F)cc1-c1ccc(-c2cccc(C(=O)C(C)C)c2)c2c1CN(C(=O)OC(C)(C)C)C2=O,DOGOMKVLIZWOCH-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:5:190998:223141:223378,COC(=O)c1cc(-c2cnc3c(c2)NCCO3)ccc1N1Cc2cc(-c3cncc(C4CCNCC4)c3)ccc2OCC1=O,YNZPFUPXUDCSMN-UHFFFAOYSA-N
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-rxn:5:191026:227819:226748,CCc1cc(CC)cc(-c2ccc3c(c2)N(c2ccc(C)c(-c4ccc(C(F)(F)F)cc4OC)c2)C=C(C(=O)OC)S3(=O)=O)c1,GLAKJRYXGXADRO-UHFFFAOYSA-N
-rxn:5:191049:226794:225980,COc1cc(N2Cc3cc(-c4cnc(N5CCSCC5)nc4)ccc3OCC2=O)c(OC)cc1-c1cc(N2CCOCC2)ncc1F,QGUWFOGGISKEFG-UHFFFAOYSA-N
-rxn:5:191049:227404:223344,COc1cc(N2Cc3cc(-c4cc(N5CCCCC5)cs4)ccc3OCC2=O)c(OC)cc1-c1cccc2c1CC(=O)N2,HFBRMUKXLOKFKY-UHFFFAOYSA-N
-rxn:5:192882:223010:226898,Cc1nn(S(=O)(=O)N(C)C)cc1-c1cc(-c2ccc(C3(O)CCOCC3)cc2)cnc1OC1CCCC1,HULRYVLQFOCIJL-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:5:193226:225982:223141,O=C(c1ccc(-c2cnc(N3CCOCC3)cc2F)c(-c2cncc(C3CCNCC3)c2)c1)N1CCOCC1,SSJWGNZMBFMCDJ-UHFFFAOYSA-N
-rxn:5:193227:226583:223062,O=C(c1cc(-c2ccc(CN3CCOCC3)s2)cc(-c2cnc(C3CCNCC3)cc2F)c1)N1CCOCC1,JJYLFPNEPRRTTK-UHFFFAOYSA-N
-rxn:5:193229:223065:225655,CC1CCN(c2cncc(-c3c(C(=O)N4CCOCC4)cccc3-c3ccc(N4CCNCC4)cc3F)c2)CC1,CXVZNCRZNHDNEB-UHFFFAOYSA-N
-rxn:5:193229:226571:227316,CC(C)Cc1cc(-c2c(C(=O)N3CCOCC3)cccc2-c2cnn(CC3CCOCC3)c2)cc(F)n1,RBXACDKITUDERI-UHFFFAOYSA-N
-rxn:5:193230:225784:227316,CC(C)Cc1cc(-c2cc(-c3ccc(CN4CCOCC4)nc3)ccc2C(=O)N2CCOCC2)cc(F)n1,MURSVFMVKXCHQD-UHFFFAOYSA-N
-rxn:5:193230:225978:223006,O=C(c1ccc(-c2ccc(N3CCOCC3)nc2F)cc1-c1ccc(F)c(C2CCNCC2)c1)N1CCOCC1,YHYNTRNCNSGXDV-UHFFFAOYSA-N
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-rxn:5:197876:226741:227830,CC1(c2ccc(-c3cc4c(cc3-c3cc(C(F)(F)F)ccc3C#N)S(=O)(=O)N(C(C)(C)C)C4=O)cc2)CC1,HAOCRQUQCVUDHQ-UHFFFAOYSA-N
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-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:4:187290:223784,CCN1CCN(CCOc2ccc(-c3ccccc3OCCN3CCC(C)CC3)cc2F)CC1,QYNYIIFNYXRFFS-UHFFFAOYSA-N
-rxn:4:187295:224290,Cc1ccc(C(=O)N(C(C)C)C(C)C)c(-c2ccc(Cl)cc2OCCN2CCOCC2)c1,ALJLTHZKULNVSP-UHFFFAOYSA-N
-rxn:4:187303:223970,COC1CCN(CCc2cc(F)ccc2-c2ccc(C)c(S(=O)(=O)N3CCC(C)CC3)c2)CC1,INFHTHCYRQEISW-UHFFFAOYSA-N
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-rxn:4:187311:224462,CC1CCCN(CCOc2c(F)cc(Cl)cc2-c2ccc(C3CCN(C4CC4)CC3)cc2)C1,CEMFCRDLBDNOEK-UHFFFAOYSA-N
-rxn:4:187313:224819,CCOc1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1S(=O)(=O)N1CCCCC1,ILSBEKPJTGZCBT-UHFFFAOYSA-N
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-rxn:4:187357:224751,COc1cc(-c2ccc(F)c(C(=O)N3CCOCC3)c2)cc(OC)c1CN1CCCCC1,RWLXYXYXYASFAR-UHFFFAOYSA-N
-rxn:4:187414:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2ccc(C3CCN(C(=O)OC(C)(C)C)C3)cc2)cc1,XWMWVXSGELASDO-UHFFFAOYSA-N
-rxn:4:187416:222823,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccccc2C2CCCN2C(=O)OC(C)(C)C)c(F)c1,DIJHUNBEBYLRNJ-UHFFFAOYSA-N
-rxn:4:187416:225123,CC(C)(C)OC(=O)N1CCCC1c1ccccc1-c1ccncc1OCC1CCCCO1,JJINAQDIJXOFSE-UHFFFAOYSA-N
-rxn:4:187417:222725,CCNS(=O)(=O)c1ccc(-c2ccccc2C2CCN(C(=O)OC(C)(C)C)C2)c(C(F)(F)F)c1,WDXCHDNPUYEUEU-UHFFFAOYSA-N
-rxn:4:187427:224244,COC(=O)c1cc(-c2ccc(Cl)c(C(=O)N3CCC(C)CC3)c2)ccc1CN1CCCC(C)C1,IRACBVAMPIWVFY-UHFFFAOYSA-N
-rxn:4:187428:224590,COC(=O)c1cc(-c2ccc(CN3CCC(C)CC3)cc2F)ccc1CN1CCCCC1C,UMGDMIYBPQTBJV-UHFFFAOYSA-N
-rxn:4:187432:223952,COC(=O)c1ccc(-c2ccc(OCCN3CCN(C)CC3)c(Cl)c2)c(CN2CCC(C)CC2)c1,VGJZZLNODDXPBH-UHFFFAOYSA-N
-rxn:4:187440:224161,CC(C)(C)OC(=O)N1Cc2ccc(-c3coc(C4CCCN(C(=O)OC(C)(C)C)C4)c3)cc2C1,VAGRSECOVWYUAI-UHFFFAOYSA-N
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-rxn:4:187561:224485,CC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2ccc(Cl)c(C(=O)N3CCC(S(=O)(=O)C(C)(C)C)C3)c2)c1,SNMLBMOHVRTJQL-UHFFFAOYSA-N
-rxn:4:187561:226610,CCc1cc(-c2ccc(Cl)c(C(=O)N3CCC(S(=O)(=O)C(C)(C)C)C3)c2)cc(C(F)(F)F)c1,KWANEYFUAUCCGO-UHFFFAOYSA-N
-rxn:4:187571:225613,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3ccnc(OC4CCCCC4)c3)cc2)CC1,HJVOWBBWVIZOAV-UHFFFAOYSA-N
-rxn:4:187574:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2ccccc2C2CCN(C(=O)OC(C)(C)C)CC2)cc1,YPTXOGDECGGNKN-UHFFFAOYSA-N
-rxn:4:187575:225947,CN1CCN(c2ncc(-c3cccc(C4CCCN(C(=O)OC(C)(C)C)C4)c3)cn2)CC1,HRXKXTJBEWQOQM-UHFFFAOYSA-N
-rxn:4:187594:223493,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1cc(F)cc(C2CCCN(C(=O)OC(C)(C)C)C2)c1,NYDNJPRQBIGFEN-UHFFFAOYSA-N
-rxn:4:187633:224486,CC(C)N(C(=O)c1cccc(-c2cccc(C3(C)CN(C(=O)OC(C)(C)C)CCO3)c2)c1)C(C)C,OOWHHCANYFAPJJ-UHFFFAOYSA-N
-rxn:4:187638:224100,CC1CCN(CCOc2ccccc2-c2ccccc2Oc2ccc(C(=O)N3CCC(C)CC3)cc2)CC1,BLVZAIIGJUCRLV-UHFFFAOYSA-N
-rxn:4:187656:227449,CCN(C1CCCCC1)S(=O)(=O)c1cc(C)c(-c2ccc(C3CCOCC3)s2)cc1C,IXMKAANZGBYCFE-UHFFFAOYSA-N
-rxn:4:187660:223106,Cc1ccc(-c2cnc(N3CCC(O)C3)nc2Cl)c(C2CCCN(C(=O)OC(C)(C)C)C2)c1,KMACHVIEIJKMKM-UHFFFAOYSA-N
-rxn:4:187660:225287,Cc1ccc(-c2cc(Cl)ncc2C(=O)OC(C)(C)C)c(C2CCCN(C(=O)OC(C)(C)C)C2)c1,ULQOWDXHZFLTDL-UHFFFAOYSA-N
-rxn:4:187681:223671,Cc1cc(-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)cc(C2CCN(C(=O)OC(C)(C)C)CC2C)c1,XVQZUJRIRKLVSE-UHFFFAOYSA-N
-rxn:4:187896:224368,COc1ccc2cc(C(=O)C(C)=CN(C)C)ccc2c1-c1cnc(Cl)c(N(C)C(=O)OC(C)(C)C)c1,VZYWOMUJSBSMKJ-UHFFFAOYSA-N
-rxn:4:187918:224272,COc1cc(-c2cc3ccncc3n2C(=O)OC(C)(C)C)cc2c1OCCN(C(=O)OC(C)(C)C)C2,ANSBQYAIHYTVIT-UHFFFAOYSA-N
-rxn:4:187962:225378,COc1ccc(CN2C(=O)c3c(F)cc(-c4cc(F)c(F)cc4S(=O)(=O)N(C)C)cc3C2(C)C)c(OC)c1,XBDURSASWXGDCN-UHFFFAOYSA-N
-rxn:4:187973:223790,CC(C)(C)OC(=O)N1CCCC1c1cncc(-c2ccccc2C(=O)N2C3CCC2CC(S(=O)(=O)c2ccccc2)C3)c1,UICUNXZERBKNGL-UHFFFAOYSA-N
-rxn:4:189552:222588,COC(=O)c1cnc(C2CCOC2)cc1-c1ccc(OCCN2CCC(O)CC2)c(F)c1,NOOBJQRKZGNMGH-UHFFFAOYSA-N
-rxn:4:189803:222604,COC(=O)c1ccc(N2CCCC2)c(-c2ccc(OC)c(S(=O)(=O)NC3CCCC3)c2)c1,YPFKMGKJZJFORY-UHFFFAOYSA-N
-rxn:4:189931:223743,COC(=O)c1ccc(N2CCOCC2)cc1-c1ccc(C)c(OCCCN2CCC(C)CC2)c1,YAKZNBPDSNZMGB-UHFFFAOYSA-N
-rxn:4:189973:223058,O=S(=O)(c1cc(-c2cc(F)nc(C3CCCNC3)c2)cc(C(F)(F)F)c1)N1CCOCC1,VHWVPCLCIPHPLC-UHFFFAOYSA-N
-rxn:4:190166:224394,Cc1ccc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2C(F)(F)F)cc1S(=O)(=O)N1CCOCC1,ZWBZYKKJIGZWFZ-UHFFFAOYSA-N
-rxn:4:190166:225165,COc1cc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2C(F)(F)F)ccc1N1CCOCC1,WULGWNCHEBVSML-UHFFFAOYSA-N
-rxn:4:190179:223082,CNS(=O)(=O)c1c(C)cc(-c2ccc(S(=O)(=O)N3CCC(F)(F)CC3)c(C(F)(F)F)c2)cc1C,HVFCGECTKPEIOQ-UHFFFAOYSA-N
-rxn:4:190199:223998,CC1CCN(S(=O)(=O)c2ccc(-c3ccc(Cl)cc3CN(C)C3CCOCC3)cc2F)CC1,PIIQQNRZLBRUEJ-UHFFFAOYSA-N
-rxn:4:190213:224374,COc1ccc(S(=O)(=O)N2CCCCC2)cc1-c1cc(S(=O)(=O)N2CCCC2)ccc1OC,IJJOYSMSRMBKCR-UHFFFAOYSA-N
-rxn:4:190214:223810,COc1cc(S(=O)(=O)N2CCCCC2)ccc1-c1cc(C)c(S(=O)(=O)N2CCC(C)CC2)c(C)c1,AWKNXQGAXHZGNL-UHFFFAOYSA-N
-rxn:4:190307:223952,CC1CCN(CCc2cc(-c3ccc(OCCN4CCN(C)CC4)c(Cl)c3)ccc2Cl)CC1,HXYDTJMARHEBIG-UHFFFAOYSA-N
-rxn:4:190331:223977,COc1ccc(C(=O)N2CCCCC2C)c(-c2cc(C(F)(F)F)ccc2C(=O)OC(C)(C)C)c1,DJFCEBFYIBNZTC-UHFFFAOYSA-N
-rxn:4:190355:223844,CC1CCN(S(=O)(=O)c2cc(-c3ccc(S(=O)(=O)N4CCCC4)cc3C(F)(F)F)cc(C(F)(F)F)c2)CC1,TTWFEWZSVWQKAP-UHFFFAOYSA-N
-rxn:4:190426:224174,CCN(C(=O)OC(C)(C)C)c1ccc(-c2ccc(C3CCN(S(=O)(=O)C(C)C)CC3)cc2)cc1,GLCVNRGJCQMGIS-UHFFFAOYSA-N
-rxn:4:190451:224770,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1cc(C)cc(S(=O)(=O)N2CCCC2)c1,YSBLIAGYGUXZMI-UHFFFAOYSA-N
-rxn:4:190823:223534,CC(C)(C)OC(=O)N1CCC(Oc2cc(-c3ccc4c(c3)CN(C(=O)OC(C)(C)C)C4=O)c(F)cn2)CC1,LJBYWXLUYGRCKP-UHFFFAOYSA-N
-rxn:4:190857:223637,CC(C)(C)OC(=O)N1CCc2cc(-c3ccccc3C3CCCN(C(=O)OC(C)(C)C)C3)sc2C1,JAOGTPNQSFAJAE-UHFFFAOYSA-N
-rxn:4:191034:223881,Cc1ccc2cc(-c3ccc4c(c3)CCCN(C(=O)OC(C)(C)C)C4)n(C(=O)OC(C)(C)C)c2c1,QWYVPHZIJUTMNN-UHFFFAOYSA-N
-rxn:4:191089:224076,CC(C)(C)OC(=O)N1Cc2cc(-c3ccc4c(ccn4[Si](C)(C)C(C)(C)C)c3)ccc2C(C)(C)C1,HBZOGWYQYWSEOC-UHFFFAOYSA-N
-rxn:4:191089:225531,CCN(CC)Cc1cc(F)ccc1-c1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2(C)C,MAMREZKNLJWTCV-UHFFFAOYSA-N
-rxn:4:191090:222638,CC(NC(=O)OC(C)(C)C)c1cccc(-c2cccc3c2C(C)(C)CN(C(=O)OC(C)(C)C)C3)c1,JASFHIMGXYVONQ-UHFFFAOYSA-N
-rxn:4:191091:225758,CC(C)(C)OC(=O)c1cnccc1-c1cccc2c1CN(C(=O)OC(C)(C)C)CC2(C)C,LEOPXLJVMWQTIJ-UHFFFAOYSA-N
-rxn:4:191097:226307,COCc1cc(C)cc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)c1OC,ZEFNFONOVIAWTP-UHFFFAOYSA-N
-rxn:4:191097:226519,COc1cc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)cc(OC)c1OC,BBVPKPPRGDHGFV-UHFFFAOYSA-N
-rxn:4:191099:223651,Cc1nc(C2CCN(C(=O)OC(C)(C)C)C2)ccc1-c1ccc2c(c1)C(=O)C1(CCN(C(=O)OC(C)(C)C)CC1)O2,OQJMCLAZKGZTOH-UHFFFAOYSA-N
-rxn:4:191099:228468,Cc1c(-c2ccc3c(c2)C(=O)C2(CCN(C(=O)OC(C)(C)C)CC2)O3)cncc1[N+](=O)[O-],HSHOBQRLXAWNDT-UHFFFAOYSA-N
-rxn:4:191118:225758,CC(C)(C)OC(=O)c1cnccc1-c1ccc2c(c1)C1(CCN(C(=O)OC(C)(C)C)CC1)CC2=O,JYXHDRDYQZPSPF-UHFFFAOYSA-N
-rxn:4:191118:228225,CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)c1ccc(-c3cc(Cl)cnc3C3CC3)cc12,SCJRYQDOUSAQSP-UHFFFAOYSA-N
-rxn:4:191119:223589,Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1ccc2c(c1)C(=O)C1(CCN(C(=O)OC(C)(C)C)CC1)C2,HDKFYYLHLOFQFI-UHFFFAOYSA-N
-rxn:4:191120:228813,CSc1cc(-c2cc3c(cc2F)CC2(CCN(C(=O)OC(C)(C)C)CC2)C3=O)ccc1Cl,NHPDOKLNKVTREY-UHFFFAOYSA-N
-rxn:4:191124:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3ccc4c(c3)C3(CC4)CCN(C(=O)OC(C)(C)C)CC3)c2Cl)CC1,WWEZYXIVYFTLKO-UHFFFAOYSA-N
-rxn:4:191194:224651,CC(C)c1cccc(C(C)C)c1N1C(=O)c2cccc3c(-c4c(F)cccc4O[Si](C)(C)C(C)(C)C)ccc(c23)C1=O,WANQDWFBAWYHDH-UHFFFAOYSA-N
-rxn:4:191195:227048,CC(C)C(=O)c1ccc(-c2cc3c(c4c2CCC4)N(C(=O)OC(C)(C)C)C(C)(C)C(=O)C3C)cc1,YYXZQSPCOYQWPR-UHFFFAOYSA-N
-rxn:4:192735:223489,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3cccc(S(=O)(=O)N4CCC4)c3)cc2)CC1,SNHXKVPENDCHHO-UHFFFAOYSA-N
-rxn:4:193201:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3ccc(C(=O)N4CCCSCC4)o3)c2)CC1,DKLPHPLAYYZFPS-UHFFFAOYSA-N
-rxn:4:193499:222612,O=C1CCN(S(=O)(=O)c2cccc(-c3cc(S(=O)(=O)N4CCC(O)CC4)ccc3F)c2)CC1,RIOZOTAVGYFXPG-UHFFFAOYSA-N
-rxn:4:193499:223481,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3cccc(S(=O)(=O)N4CCC(=O)CC4)c3)c(F)c2)CC1,UGHBKQZKLIEHQF-UHFFFAOYSA-N
-rxn:4:193562:224018,Cc1ccc(S(=O)(=O)N2CCCC2)cc1-c1cc(F)c(F)cc1S(=O)(=O)N1CCOCC1,GKQIJKIDKMCGMI-UHFFFAOYSA-N
-rxn:4:193815:222524,CC1CCN(Cc2cc(F)cc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCC(O)CC3)c2)CC1,WZBCNJHBHYKGBO-UHFFFAOYSA-N
-rxn:4:193829:224392,Cc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1ccc(S(=O)(=O)N2CCCC(C)C2)cc1,MSNOVYXJUCQCKD-UHFFFAOYSA-N
-rxn:4:193831:224322,Cc1ccc(-c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)cc1S(=O)(=O)N1CCCCC1,XTBGBNACBQJPBR-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:4:193838:223842,Cc1cc(C)c(S(=O)(=O)N2CCCC2)cc1-c1cc(F)c(F)cc1S(=O)(=O)N1CCC(C)CC1,OSKOLGCERACMCO-UHFFFAOYSA-N
-rxn:4:193867:222810,CC(C)(C)OC(=O)Nc1cc(-c2cc(Cl)cc(C3(N4CCC(=O)CC4)CC3)c2)c(Cl)cn1,PAIWQHFJLMHKMT-UHFFFAOYSA-N
-rxn:4:193867:223670,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2cc(Cl)cc(C3(N4CCC(=O)CC4)CC3)c2)CC1,NTXSTJRGIVCVJO-UHFFFAOYSA-N
-rxn:4:193867:224834,CN(C)S(=O)(=O)n1cc(-c2cc(Cl)cc(C3(N4CCC(=O)CC4)CC3)c2)c(C(F)(F)F)n1,ISUBWSKAHQHFSC-UHFFFAOYSA-N
-rxn:4:193888:224327,Cc1cc(-c2cccc(S(=O)(=O)N3CCCC(C)C3)c2)cc(S(=O)(=O)N2CCC(F)(F)CC2)c1,KHMDEKARIZDDOY-UHFFFAOYSA-N
-rxn:4:193934:224182,Cc1cc(-c2ccc(C(=O)N3CC(C)CC(C)C3)c(F)c2)ccc1OCCN1CCOCC1,CQYVODJGPZVODJ-UHFFFAOYSA-N
-rxn:4:193957:224080,Cc1ccc(-c2ccc(OCCCN3CCCCC3)cc2)cc1S(=O)(=O)N1CCC(C)CC1,OCVZUCGZPKMEBF-UHFFFAOYSA-N
-rxn:4:193991:222699,Cc1cc(S(=O)(=O)N2CCCCCC2)c(C)cc1-c1ccc(C2CCCNC2)c(C(F)(F)F)c1,CFMXLVJJIFMWHR-UHFFFAOYSA-N
-rxn:4:193992:224819,Cc1cc(C)c(S(=O)(=O)N2CCC(C)CC2)cc1-c1ccc(S(=O)(=O)N2CCOCC2)cc1,BEFJEEIWZFJWOU-UHFFFAOYSA-N
-rxn:4:193994:223994,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cc(S(=O)(=O)N2CCCC(C)C2)c(C)cc1C,DENIUFVSSSNFCD-UHFFFAOYSA-N
-rxn:4:194001:223697,Cc1cc(C)c(S(=O)(=O)N2CCCCC2)c(C)c1-c1ccc(S(=O)(=O)N2CCCCC2)cc1C(F)(F)F,GAJMEERRMCMYEM-UHFFFAOYSA-N
-rxn:4:194679:222466,COc1cccc2c1OCC(=O)N(c1cccc(-c3cc(C4CCCCC4)nc(C4CCNCC4)c3)c1)C2,XQOLZCSMONWLCT-UHFFFAOYSA-N
-rxn:4:194736:223842,CC1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2ccc3oc(=O)c(S(=O)(=O)N4CCCC(C)C4)cc3c2)CC1,MPUBQKAIAQSBGZ-UHFFFAOYSA-N
-rxn:4:194739:223649,COc1cccc2c1OCC(=O)N(c1ccc(-c3cccc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)cc1C)C2,DEMJKWWZPZNSRX-UHFFFAOYSA-N
-rxn:4:199547:223936,CC(C)(C)OC(=O)N(CC1CC1)c1cc(-c2cc3c(F)cccc3n2C(=O)OC(C)(C)C)ccn1,MRSSIAZNIUCQTH-UHFFFAOYSA-N
-rxn:4:199555:223581,COC(=O)c1cccc2cc(-c3cc(C#N)ccc3OC3CN(C(=O)OC(C)(C)C)C3)n(C(=O)OC(C)(C)C)c12,FSESDEGNJBKWNI-UHFFFAOYSA-N
-rxn:4:199577:223894,CN1CCN(CCCOc2cccc(-c3cc(OC(F)(F)F)ccc3OCC(=O)N3CCN(C)CC3)c2)CC1,PHSQXCGVFVDLSQ-UHFFFAOYSA-N
-rxn:4:199577:227542,COC(=O)c1cc(F)ccc1-c1cc(OC(F)(F)F)ccc1OCC(=O)N1CCN(C)CC1,WZKMUSYNRXIICA-UHFFFAOYSA-N
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-rxn:4:202008:224327,CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cccc(S(=O)(=O)N2CCCC(C)C2)c1,WGDYVUZGJGGHGB-UHFFFAOYSA-N
-rxn:4:202008:225346,CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1ccc(OC)c(S(=O)(=O)N(C)C)c1,USUZSRLWLFZEST-UHFFFAOYSA-N
-rxn:4:202010:223532,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)cc(-c3cncc(C4CN(C(=O)OC(C)(C)C)CCO4)c3)c2)CC1,KAEKNYBTDCCMDM-UHFFFAOYSA-N
-rxn:4:202011:224278,CC(C)(C)OC(=O)N1CCOC(c2ccc(-c3cnc4c(ccn4C(=O)OC(C)(C)C)c3)cn2)C1,HGLULZWLZFMDAK-UHFFFAOYSA-N
-rxn:4:202018:223489,CC(C)(C)OC(=O)c1nc(N2CCOCC2)ccc1-c1ccc(S(=O)(=O)N2CCC(O[Si](C)(C)C(C)(C)C)CC2)cc1,VVHWTBJGEYTNGV-UHFFFAOYSA-N
-rxn:4:202020:223940,CC(C)(C)OC(=O)N1CCOC(c2ccncc2-c2ccc3c(c2)OCCN3C(=O)OC(C)(C)C)C1,VRKQPCVSQFXHOB-UHFFFAOYSA-N
-rxn:4:202069:226512,CC(C)(C)S(=O)(=O)C1CCN(C(=O)c2cncc(-c3ccncc3OCC3CCO3)c2)C1,CFGXUOXZCDHLOQ-UHFFFAOYSA-N
-rxn:4:202072:223774,COc1cccc2c1cc(-c1cccc(N3CCN(C(=O)OC(C)(C)C)CC3=O)c1)n2C(=O)OC(C)(C)C,NSWBQPOOUZDBCF-UHFFFAOYSA-N
-rxn:4:202085:224015,Cc1cc(F)c(-c2cccnc2OC2CCN(S(=O)(=O)c3ccc(F)cc3C)C2)cc1S(=O)(=O)N1CCOCC1,CVQQVLHHVSLENH-UHFFFAOYSA-N
-rxn:4:202101:223636,CC1CN(C(=O)OC(C)(C)C)CCC1c1nc(-c2ccc(C3CCCN(C(=O)OC(C)(C)C)C3)cc2)cs1,HSFSAFNLZYCYNH-UHFFFAOYSA-N
-rxn:4:202104:222792,CC(C)(C)OC(=O)Nc1ccc(F)c(-c2ccnc(C3CCN(C(=O)OC(C)(C)C)CC3)c2)c1,KDOOTLHPBFRSQY-UHFFFAOYSA-N
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-rxn:4:202127:223761,CC(C)(C)OC(=O)N1CCC(c2ccncc2-c2ccc(C3CCCN3C(=O)OC(C)(C)C)cc2)CC1,PQXRGPMHNXMTEL-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:4:202133:225665,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)ccc2-c2ccc(Cl)cc2N2CCCCC2)CC1,ZPRVSEJBJYQFGI-UHFFFAOYSA-N
-rxn:4:202163:223576,Cc1cc(C2=CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1cccc(OC2CCN(C(=O)OC(C)(C)C)CC2)c1,TXCAQGANFRBYCJ-UHFFFAOYSA-N
-rxn:4:202163:226714,Cc1cc(C2=CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1ccnn1C(=O)OC(C)(C)C,VOIJAMOJNIYWDI-UHFFFAOYSA-N
-rxn:4:202212:223671,Cc1ccc(S(=O)(=O)N2CCC(Oc3ncccc3-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)C2)cc1C,CQQXDRPSFKJRRY-UHFFFAOYSA-N
-rxn:4:202212:224392,Cc1ccc(S(=O)(=O)N2CCC(Oc3ncccc3-c3cc(S(=O)(=O)N4CCOCC4)ccc3C)C2)cc1C,HPQFXVWNVYTKDO-UHFFFAOYSA-N
-rxn:4:202215:223697,COc1ccc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2C(F)(F)F)cc1S(=O)(=O)N1CCN(c2ccc(F)cc2)CC1,SWBBZUQXOWSCQC-UHFFFAOYSA-N
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-rxn:4:202229:224670,Cc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1cc(CN2CCN(C)CC2)ccc1F,RXKVTGRLEKMCGT-UHFFFAOYSA-N
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-rxn:4:202328:228705,COC1CCN(C2CCN(S(=O)(=O)c3ccccc3-c3cccnc3N(C)C)CC2)CC1,BKBZSAVENOUMOS-UHFFFAOYSA-N
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-rxn:4:202653:223504,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cccc4cc(C5CN(C(=O)OC(C)(C)C)CCO5)cn34)cc2[N+](=O)[O-])CC1,UDAGCRQBPNJMCP-UHFFFAOYSA-N
-rxn:4:202656:223527,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)ccc2-c2cc3c(N4CCN(C(=O)OC(C)(C)C)CC4)cccc3s2)CC1,ZPVUXCIYKKBDOQ-UHFFFAOYSA-N
-rxn:4:202656:223788,CC(C)(C)OC(=O)N1CCN(c2cccc3sc(-c4ccc(OC5CN(C(=O)OC(C)(C)C)C5)cc4)cc23)CC1,HQBACHNTFUCOKV-UHFFFAOYSA-N
-rxn:4:202656:223928,CC(C)(C)OC(=O)N1CCN(c2cccc3sc(-c4cnc5c(c4)CN(C(=O)OC(C)(C)C)CC5)cc23)CC1,FSKPUCJMMFFGCY-UHFFFAOYSA-N
-rxn:4:202720:222719,Cc1ccc2ncc(C(=O)N3CCCC3)c(S(=O)(=O)c3ccc(-c4cc(C5CCCNC5)nc(C(F)(F)F)c4)cc3)c2c1,FLPRYNHYFCZGGN-UHFFFAOYSA-N
-rxn:4:202726:222812,CC(C)(C)OC(=O)Nc1cc(-c2ccc3c(c2)CCN3C2CCN(C(=O)OC(C)(C)C)CC2)cnc1Cl,GOFLFDVDGXGWHN-UHFFFAOYSA-N
-rxn:4:202807:222795,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2ccc(NC(=O)N3CCOCC3)cc2)cc1,DOORVJOFBQYNMH-UHFFFAOYSA-N
-rxn:4:202841:223504,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cccc(C(=O)CC#N)n3)cc2[N+](=O)[O-])CC1,OYCYSSQZXFNZRO-UHFFFAOYSA-N
-rxn:4:203465:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3ccc(OC4CCOCC4)c(C#N)n3)cc2)CC1,ITHQRJAXWCBLRG-UHFFFAOYSA-N
-rxn:4:203859:222604,COc1ccc(-c2ccc(CN3CCC(N(C)C)C3)cc2)cc1S(=O)(=O)NC1CCCC1,OKNUDYFXOOHSTP-UHFFFAOYSA-N
-rxn:4:203921:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cccnc1OC1CCC(N(C)C)CC1,DQFJYXHIRUQMGY-UHFFFAOYSA-N
-rxn:4:203921:224323,Cc1cc(-c2cccnc2OC2CCC(N(C)C)CC2)cc(C)c1S(=O)(=O)N1CCCC1,VATTYSXBKVQRGI-UHFFFAOYSA-N
-rxn:4:203932:223786,COc1cc(N2CCC(C)CC2)c(-c2ccc(OCCCN3CCN(C)CC3)c(Cl)c2)cc1[N+](=O)[O-],HTXPRLMDJQTNLD-UHFFFAOYSA-N
-rxn:4:203993:222598,Cc1cc(-c2ccc(CN3CCC(N(C)C)CC3)cc2)cc(C)c1S(=O)(=O)NC1CCCC1,RGLYKAQKBDDUQS-UHFFFAOYSA-N
-rxn:4:203993:222695,Cc1ccc(-c2ccc(CN3CCC(N(C)C)CC3)cc2)cc1S(=O)(=O)NC1CCCC1,LTDNAGSXUJLAJC-UHFFFAOYSA-N
-rxn:4:203993:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(CN2CCC(N(C)C)CC2)cc1,FNPROGBUYMLLLR-UHFFFAOYSA-N
-rxn:4:204006:224570,CC(c1ccc(-c2cc(F)cc(CN3CCC(N(C)C)CC3)c2)cc1)N1CCN(C)CC1,QZIGGCASOVIIFX-UHFFFAOYSA-N
-rxn:4:204013:225047,Cc1cc(-c2ccccc2S(=O)(=O)N2CCC(N(C)C)CC2)cnc1N1CCC(C)CC1,KIXZFVJEJDRIKO-UHFFFAOYSA-N
-rxn:4:204055:226898,Cc1nn(S(=O)(=O)N(C)C)cc1-c1ccc(C(=O)N2CCCN(C3CCSC3)CC2)o1,TUPZAXGJZSIEEE-UHFFFAOYSA-N
-rxn:4:204092:222826,Cc1cc(-c2cccc(S(=O)(=O)N3CCNCC3)c2)ccc1CN1CCC(N(C)C)CC1,WYJDMNVSGOAYTE-UHFFFAOYSA-N
-rxn:4:204109:223506,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cccc(-c3ccccc3S(=O)(=O)N3CCC(N4C(=O)COCC4=O)CC3)c2)CC1,OVYMXFNVVSHZED-UHFFFAOYSA-N
-rxn:4:204114:226898,Cc1nn(S(=O)(=O)N(C)C)cc1-c1ccc(C(=O)N2CCCN(C3CCSCC3)CC2)o1,LYTQNTDMTANUCR-UHFFFAOYSA-N
-rxn:4:204115:224010,COc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1ccccc1S(=O)(=O)N1CCCN(C2CCC2)CC1,TULMNHCBIZMJEC-UHFFFAOYSA-N
-rxn:4:204115:224392,Cc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1ccccc1S(=O)(=O)N1CCCN(C2CCC2)CC1,WGKRHGYPASKHGQ-UHFFFAOYSA-N
-rxn:4:204183:222630,Cc1ccc(N2CCN(S(=O)(=O)c3cc(C)c(C)cc3-c3cc(C4CCC4)nc(C4CCNCC4)c3)CC2)c(C)c1,MKXVQGOESJEWJW-UHFFFAOYSA-N
-rxn:4:204183:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3cc(C)c(C)cc3S(=O)(=O)N3CCN(c4ccc(C)cc4C)CC3)c2)CC1,RRYFDOYMDBDSKZ-UHFFFAOYSA-N
-rxn:4:204184:222722,Cc1cc(C)c(S(=O)(=O)N2CCN(c3cccc(Cl)c3C)CC2)c(C)c1-c1cccc(S(=O)(=O)N2CCC(O)CC2)c1,MQUGQNCZTCLQAP-UHFFFAOYSA-N
-rxn:4:204184:224323,Cc1cc(C)c(S(=O)(=O)N2CCN(c3cccc(Cl)c3C)CC2)c(C)c1-c1cc(C)c(S(=O)(=O)N2CCCC2)c(C)c1,MDESCXKEBBEHAK-UHFFFAOYSA-N
-rxn:4:204353:223980,CCOC(=O)c1nn2c(c1-c1cccc(S(=O)(=O)N3CCN(CC)CC3)c1)COCC2,BWIZCACPFBLYBX-UHFFFAOYSA-N
-rxn:4:204475:223507,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccccc2-c2nc(Cl)cc3ccn(C(=O)OC(C)(C)C)c23)CC1,WMACGUZKZCRGKD-UHFFFAOYSA-N
-rxn:4:204595:223929,CC(C)(C)OC(=O)N1CCc2nc(-c3cnc4c(c3)CCN(C(=O)OC(C)(C)C)C4)sc2CC1,WPXDZCFYRAVRMF-UHFFFAOYSA-N
-rxn:4:204599:223650,CC(C)(C)OC(=O)N1CCN(c2ccccc2-c2ccnc3c2CCN(C(=O)OC(C)(C)C)C3)CC1,XLTXYPRSJRSLAG-UHFFFAOYSA-N
-rxn:4:204602:223776,CC(C)(C)OC(=O)N1CCOc2ccc(-c3cnc4c(c3)CCCN4C(=O)OC(C)(C)C)cc2C1,PEVJGCLOXGXQQK-UHFFFAOYSA-N
-rxn:4:205897:223574,CC(C)(C)OC(=O)N1CCN(Cc2cccc(-c3nc(C(=O)N4CCOCC4)cs3)c2)CC1,BTTJYCFMBFCXGN-UHFFFAOYSA-N
-rxn:4:206714:223992,Cc1ccc(-c2ccc(C3CCCN3S(C)(=O)=O)nc2)cc1S(=O)(=O)N1CCN(C)CC1,VKHOINNISAGNHP-UHFFFAOYSA-N
-rxn:4:206789:222628,Cc1cc([N+](=O)[O-])cc(-c2cc(C3CCC3)nc(C3CCCNC3)c2)c1N1CCOCC1,NIAGDHVJPDJFCL-UHFFFAOYSA-N
-rxn:4:206956:223970,Cc1ccc(-c2cccc(S(=O)(=O)N3CCN(C)CC3)c2)cc1S(=O)(=O)N1CCC(C)CC1,SYFTYUUGZVVFNZ-UHFFFAOYSA-N
-rxn:4:206990:224011,CN1CCN(S(=O)(=O)c2ccc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCN(C)CC3)cc2F)CC1,RTYFQQMSYWKSAV-UHFFFAOYSA-N
-rxn:4:207046:223998,CC1CCN(S(=O)(=O)c2ccc(-c3ccc(C4CCCN(C(C)C)C4)nc3)cc2F)CC1,JPBWDXKSASRNDC-UHFFFAOYSA-N
-rxn:4:207946:225294,CCN1CCN(c2ncc(-c3cc(OC)c4c(c3)C3CC(c5ccc(Cl)cc5)=NN3C3(CCCC3)O4)cn2)CC1,XGHFNMYHGUNCAH-UHFFFAOYSA-N
-rxn:4:207959:223737,Cc1ccc(C2=NN3C(C2)c2cc(-c4ccc(C(c5ccccc5)N5CCCC5)cc4)ccc2OC3C2CCCCC2)cc1,OGLJFCGOIFFFOD-UHFFFAOYSA-N
-rxn:4:207959:225652,Cc1ccc(C2=NN3C(C2)c2cc(-c4cncc(N5CCCC(C)C5)c4)ccc2OC3C2CCCCC2)cc1,MMKNQCMIQFELNS-UHFFFAOYSA-N
-rxn:4:209818:222514,COc1ccc(-c2ccc(C)c(N3CCN(C)C3=O)c2)cc1S(=O)(=O)NC1CCCCC1,NWIYAAHCABKLBK-UHFFFAOYSA-N
-rxn:4:210974:223834,Cc1cc(-c2cccnc2N2CC3CCCC3C2)cc(C)c1S(=O)(=O)N1CCN(C)CC1,ZSEOUMDPIGLFOB-UHFFFAOYSA-N
-rxn:4:210982:223534,CC(C)(C)OC(=O)N1CCC(Oc2cc(-c3ccc4nccc(N5CCOCC5)c4c3)c(F)cn2)CC1,NDOPUGVSXVBZLA-UHFFFAOYSA-N
-rxn:4:211060:224397,CN1CCN(C2CCCc3cc(-c4ccc(S(=O)(=O)N5CCC(=O)CC5)cc4)ccc32)CC1,RQHQSQOBWSQGML-UHFFFAOYSA-N
-rxn:4:212541:225901,Cc1nn(C(=O)OC(C)(C)C)cc1-c1cncc(OCC2CN(C(=O)OC(C)(C)C)C2)n1,DEMUWZMRLWHIPX-UHFFFAOYSA-N
-rxn:4:212542:224645,CCOCC(=O)N1CCCC(Oc2ncc(-c3ccc(C(=O)N4CCCC4)cc3OC)cn2)C1,NECOIMLYXUXWHX-UHFFFAOYSA-N
-rxn:4:212584:222901,CCCS(=O)(=O)NCc1ccc(-c2cn(C)nc2CN(C(=O)OC(C)(C)C)C(C)C)cc1,XNCMVOVFXAKAEL-UHFFFAOYSA-N
-rxn:4:212620:225898,O=C(Cc1ccc(F)cc1-c1cnn(CCN2CCOCC2)c1)N1CCC(COc2ncccn2)CC1,AEQUCHLWHKOAGP-UHFFFAOYSA-N
-rxn:4:212621:223812,O=C(Cc1ccc(F)cc1)N1CCC(COc2ncc(-c3cc(F)cc(CN4CCC5(CC4)OCCO5)c3)cn2)CC1,LWJDHVTYBUWHOZ-UHFFFAOYSA-N
-rxn:4:212630:226515,CCc1ncc(C(=O)OC)cc1-c1cncc(C(=O)N2CCCC(COc3ncccc3C(F)(F)F)C2)c1,IOQQQJWAHGIIOE-UHFFFAOYSA-N
-rxn:4:212650:225172,CC(C)(C)CC(=O)N1CCCC(COc2ncc(-c3cc(CN4CCOCC4)ccc3F)cn2)C1,JMSIXQTXSJOYFS-UHFFFAOYSA-N
-rxn:4:212656:223660,COC(=O)c1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)c(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)s2)c1,YRNXPMGDFINLAE-UHFFFAOYSA-N
-rxn:4:212658:223651,COC(=O)c1ncc(-c2ccc(C3CCN(C(=O)OC(C)(C)C)C3)nc2C)cc1N1CCN(C(=O)OC(C)(C)C)CC1,LWKYLVPISJHCBO-UHFFFAOYSA-N
-rxn:4:212685:225323,COC(=O)c1ccc(N2CCN(S(=O)(=O)c3ccc(-c4cc(C(F)(F)F)c5c(cnn5C)c4)cc3)CC2)c([N+](=O)[O-])c1,YNGAWYVVLRMELI-UHFFFAOYSA-N
-rxn:4:212691:222787,CN(C(=O)c1ccc(-c2ccc(NC(=O)OC(C)(C)C)cc2Cl)nc1)C1CCN(C(=O)OC(C)(C)C)CC1,GRXOOXDZJZKRSX-UHFFFAOYSA-N
-rxn:4:212730:223697,COc1ccc(-c2noc(C3CCCN(S(=O)(=O)c4ccc(-c5ccc(S(=O)(=O)N6CCCCC6)cc5C(F)(F)F)cc4)C3)n2)c(OC)c1,IJHLOFXLCFCWBS-UHFFFAOYSA-N
-rxn:4:212744:226068,Cc1cc(C(C)(C)C)cc(C)c1-c1cc(CN2CCC(F)(F)CC2)cc(N2CCN(C(=O)OC(C)(C)C)CC2)c1,SSWCGVIPLLGPDB-UHFFFAOYSA-N
-rxn:4:212816:224377,CN1CCN(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCN(C(=O)CCc5c[nH]c6ccccc56)CC4)cc3)cc2)CC1,SSTPMMYYHJBKOK-UHFFFAOYSA-N
-rxn:4:212823:223093,COc1ccc(S(=O)(=O)N2CCN(C(=O)Cn3ccc4cc(-c5cncc(NS(=O)(=O)C(C)C)c5)ccc43)CC2)cc1,AAFRSEREHIVPOR-UHFFFAOYSA-N
-rxn:4:212839:222622,CCC(C)c1cc(-c2ccn3c(C(C)N4CCN(CC)CC4)c(C)c(C(=O)OC(C)C)cc23)cc(C2CCCNC2)n1,TVWWFVZZWWZZHE-UHFFFAOYSA-N
-rxn:4:212839:222854,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4cc(C5CCCNC5)ccc4OC)ccn23)CC1,HUKFWHBPVXFREZ-UHFFFAOYSA-N
-rxn:4:212966:225767,CC(C)COc1c(F)cc(-c2cnc(OC3CCN(C(=O)OC(C)(C)C)C3)nc2)cc1F,NOROYABYJDSEOR-UHFFFAOYSA-N
-rxn:4:212970:224276,Cc1nc(OC2CN(C(=O)OC(C)(C)C)C2)ncc1-c1cn(C(=O)OC(C)(C)C)c2cccnc12,LBJXSZSQBYUYFQ-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:4:212984:224251,CC1CCCN(C(=O)c2ccc(-c3cnccc3OC3CCN(C(=O)c4ccc(C(F)(F)F)nc4)C3)c(F)c2)C1,MHQYVWWZPITIFM-UHFFFAOYSA-N
-rxn:4:212988:223498,CC(C)(C)OC(=O)N1CCCN(C(=O)c2ccc(-c3nc(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)cs3)cc2)CC1,GEHIZVUYSIUINZ-UHFFFAOYSA-N
-rxn:4:212988:226715,CC(C)(C)OC(=O)N1CCN(C(=O)c2csc(-c3cnn(C(=O)OC(C)(C)C)c3)n2)CC1,GVDBFOZRZZYHGV-UHFFFAOYSA-N
-rxn:4:213010:223591,CC(C)(C)OC(=O)N1CCN(c2ccc(F)c(-c3cnn(C[C@@H]4CN(C(=O)OC(C)(C)C)CCO4)c3)c2)CC1,ZEPWPYJGDFOFFQ-QFIPXVFZSA-N
-rxn:4:213010:223818,CC(C)(C)OC(=O)N1CCO[C@H](Cn2cc(-c3c(F)cc(F)c4c3ccn4C(=O)OC(C)(C)C)cn2)C1,IHZNKYRSOWEKKC-KRWDZBQOSA-N
-rxn:4:213044:224290,CC(C)(C)OC(=O)N1CCC(Oc2ncc(-c3ccc(Cl)cc3OCCN3CCOCC3)cn2)CC1,BWYFFDYLMWSUQN-UHFFFAOYSA-N
-rxn:4:213065:223508,O=C(c1ccc(C(F)(F)F)cc1)N1CCCC(Oc2ncc(-c3ccc(N4CCN(S(=O)(=O)c5ccc(Cl)cc5)CC4)nc3)cn2)C1,PQOYTSLDLUXFLZ-UHFFFAOYSA-N
-rxn:4:213072:223575,CC(C)(C)OC(=O)N1CCN(Cc2ccccc2-c2cnn(CC3CCCN(C(=O)OC(C)(C)C)C3)c2)CC1,MTEAKXSIUPLKGE-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
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-rxn:4:213095:225093,CCCOc1c(Cl)cc(-c2cc(C#N)ccc2N2CCN(C(=O)OC(C)(C)C)CC2)cc1OCC,XNZBMXKFQZMLCA-UHFFFAOYSA-N
-rxn:4:213112:223542,Cc1ccc(OCC2CCN(S(=O)(=O)c3ccccc3-c3ccc(OC(F)(F)F)c(S(=O)(=O)N4CCN(C)CC4)c3)C2)nn1,VNGGKCBMYRKDKL-UHFFFAOYSA-N
-rxn:4:213134:225910,CCOc1cc(C(F)(F)F)ccc1-c1cnc(OC2CCN(C(=O)C(C)(C)CC)CC2)nc1,AQWBQXJZHAEILZ-UHFFFAOYSA-N
-rxn:4:213150:223577,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3ccc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)nc3)cc2)CC1,NHWSJXZMRYKVRN-UHFFFAOYSA-N
-rxn:4:213152:224617,COc1ccc(-c2ccc(OCCN3CCCC3)c(Cl)c2)cc1CN1CCC(Oc2ncc(F)cn2)CC1,TWVUIBLSXZFVKK-UHFFFAOYSA-N
-rxn:4:213179:224243,Cc1ccc(OCC2CCN(C(=O)c3cccc(-c4cc(F)cc(C(=O)N5CCCCC5C)c4)c3)CC2)nn1,TYEVIYPEBGBXCE-UHFFFAOYSA-N
-rxn:4:213195:223945,O=C(C1CCOCC1)N1CCC(COc2ncc(-c3ccc(OCCCN4CCOCC4)c(F)c3)cn2)CC1,GUGMOJTWMZXMJC-UHFFFAOYSA-N
-rxn:4:213202:222854,COc1ccc(C2CCCNC2)cc1-c1ccccc1S(=O)(=O)N1CCC(COc2ccc(C)nn2)CC1,RLTPNVZHIJLXOQ-UHFFFAOYSA-N
-rxn:4:213251:224377,CN1CCN(S(=O)(=O)c2ccc(-c3cc(S(=O)(=O)N4CCCCC4)cnc3N(C)Cc3ccccc3)cc2)CC1,XFMYHZYDXDYWHS-UHFFFAOYSA-N
-rxn:4:213272:222833,CC(C)CCC(=O)Nc1cccc(-c2ccc(OC3CCN(C(=O)c4ccc(N5CCOCC5)cc4)C3)nc2)c1,PKBIZLPOOMUCRC-UHFFFAOYSA-N
-rxn:4:213273:226649,O=C(c1ccc(N2CCOCC2)cc1)N1CCC(Oc2ccncc2-c2cccnc2N2CCOCC2)C1,CFAGESGZWIZVLI-UHFFFAOYSA-N
-rxn:4:213395:223000,O=C(Cn1ccc2ccc(-c3ccc(C4CCCNC4)c(F)c3)cc21)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1,OQXAFEBKONUZHP-UHFFFAOYSA-N
-rxn:4:213395:223055,Cc1nc(N2CCNCC2)ccc1-c1ccc2ccn(CC(=O)N3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)c2c1,SQZJEKLLAPXPHH-UHFFFAOYSA-N
-rxn:4:213664:223508,CCC(=O)N1CCC(Oc2ncc(-c3ccc(N4CCN(S(=O)(=O)c5ccc(Cl)cc5)CC4)nc3)cn2)CC1,SCNJLCYVRUVOHF-UHFFFAOYSA-N
-rxn:4:213664:224251,CCC(=O)N1CCC(Oc2ncc(-c3ccc(C(=O)N4CCCC(C)C4)cc3F)cn2)CC1,BCWVEGXUXCNWFX-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:4:213720:223761,CC(C)(C)OC(=O)N1CCC(n2nccc2-c2ccc(C3CCCN3C(=O)OC(C)(C)C)cc2)C1,CPQHLDWXPCCUNF-UHFFFAOYSA-N
-rxn:4:213723:222584,CCN1CCN(C(=O)Cc2cncc(-c3ccc(OCCCN4CCNCC4)c(F)c3)c2)CC1,PDQHNXKXRRQLHE-UHFFFAOYSA-N
-rxn:4:213723:224759,CCN1CCN(C(=O)Cc2cncc(-c3cc(F)cc(C(=O)N4CCOCC4)c3)c2)CC1,BJFMLGAJLWVGMH-UHFFFAOYSA-N
-rxn:4:213764:223933,CC(C)(C)OC(=O)N1CCC(c2cnc(-c3cc4cc(F)ccc4n3C(=O)OC(C)(C)C)cn2)C1,ADTNZEQZVOMLGA-UHFFFAOYSA-N
-rxn:4:213764:225312,CN1CCCN(c2ncc(-c3cnc(C4CCN(C(=O)OC(C)(C)C)C4)cn3)cn2)CC1,XTIGWSRPRDUWDS-UHFFFAOYSA-N
-rxn:4:213871:222729,CCCc1cc(-c2cnc(OC3CCCN(S(=O)(=O)c4ccc(F)c(F)c4)C3)nc2)cc(C2CCCNC2)n1,VALLXHIKVNHGFW-UHFFFAOYSA-N
-rxn:4:213875:223933,CC(C)(C)OC(=O)N1CCN(c2cccc(-c3cc4cc(F)ccc4n3C(=O)OC(C)(C)C)n2)CC1,YNLOGXXGWNTSEO-UHFFFAOYSA-N
-rxn:4:213877:223669,CC(C)(C)OC(=O)N1CCN(c2ccnc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)nc3)c2)CC1,HZYXEBBPGZKEHT-UHFFFAOYSA-N
-rxn:4:213897:223065,CC(C)(C)OC(=O)N1CCN(c2ccncc2-c2ccc(N3CCNCC3)cc2F)CC1,FXEFOHVOMWAUMG-UHFFFAOYSA-N
-rxn:4:213901:223975,CC(C)(C)OC(=O)N1CCN(c2nc(Cl)ccc2-c2cn(C(=O)OC(C)(C)C)c3ccc(Cl)nc23)CC1,VZPADMBMPOJPHV-UHFFFAOYSA-N
-rxn:4:213942:225877,Cc1nn(C2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccc(Cl)cc1N1CCOCC1,BQCRASLJIYQVIU-UHFFFAOYSA-N
-rxn:4:213970:223699,Cc1ccc(S(=O)(=O)N2CCC(Oc3ncc(-c4ccc(S(=O)(=O)N5CCOCC5)cc4C(F)(F)F)cn3)CC2)cc1,KQRXPUICEVDLGA-UHFFFAOYSA-N
-rxn:4:213974:223669,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cccc(N4CCCN(C(=O)OC(C)(C)C)CC4)n3)cn2)CC1,HUQYLZPRPPHPTF-UHFFFAOYSA-N
-rxn:4:213974:224357,COc1nc2ccc(C(F)(F)F)cc2cc1-c1cccc(N2CCCN(C(=O)OC(C)(C)C)CC2)n1,URTMMWJZWYVCFI-UHFFFAOYSA-N
-rxn:4:214018:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3ccc(C4=NN(C(C)=O)C(c5ccc(N(C)C)cc5)C4)cc3)c2)CC1,LNIYGHPEODOSPU-UHFFFAOYSA-N
-rxn:4:214021:223841,Cc1cc(C)nc(OC2CCCN(C(=O)c3ccccc3-c3cc(S(=O)(=O)N4CCN(C)CC4)c(C)cc3F)C2)n1,MOGNDSRDTMPSQA-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:4:214069:222630,Cc1ccc(S(=O)(=O)N2CCCC(c3nc(-c4ccc(-c5cc(C6CCC6)nc(C6CCNCC6)c5)cc4)no3)C2)cc1,VOMDMDVQWXHNPW-UHFFFAOYSA-N
-rxn:4:214074:224391,Cc1cc(S(=O)(=O)N2CCOCC2)ccc1-c1ccc(S(=O)(=O)n2nc(C)c(S(=O)(=O)N3CCCC(C)C3)c2C)cc1,QNGGHBAAMDYTNC-UHFFFAOYSA-N
-rxn:4:214180:223504,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc4cc(C5CN(C(=O)OC(C)(C)C)C5)nn4c3)cc2[N+](=O)[O-])CC1,LQRSWORFUNYRTR-UHFFFAOYSA-N
-rxn:4:214180:223788,CC(C)(C)OC(=O)N1CC(Oc2ccc(-c3ccc4cc(C5CN(C(=O)OC(C)(C)C)C5)nn4c3)cc2)C1,WEVBHXLMAZBHTB-UHFFFAOYSA-N
-rxn:4:214181:222546,CCCC(=O)N1CCN(c2nc3ccc(-c4ccc(OCCNC5CCCCC5)c(F)c4)cc3s2)CC1,LPVABYCYKRXUMT-UHFFFAOYSA-N
-rxn:4:214202:224368,CN(C(=O)OC(C)(C)C)c1cc(-c2cnc([C@@H]3[C@H]4CC[C@H](C4)N3C(=O)OC(C)(C)C)nc2)cnc1Cl,FUGFSULPFFLYQP-CVAIRZPRSA-N
-rxn:4:214202:226848,COc1ccc(-c2cnc([C@@H]3[C@H]4CC[C@H](C4)N3C(=O)OC(C)(C)C)nc2)c(C(F)(F)F)n1,JPKYEGBSZDOYQS-QEORTHHSSA-N
-rxn:4:214212:223832,COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1-c1ccc(C(=O)N2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)o1,NGHYOMUSICRHIV-UHFFFAOYSA-N
-rxn:4:214220:223593,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc4[nH]c(C5CCCN5C(=O)OC(C)(C)C)nc4c3)cc2Cl)CC1,LGTVNDHFRBAXOC-UHFFFAOYSA-N
-rxn:4:214273:223490,Cc1ccc(-c2ccc3ncn(C4CCN(C(=O)OC(C)(C)C)CC4)c3c2)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,OGPHGPFQQUAHNV-UHFFFAOYSA-N
-rxn:4:214273:224653,CC(C)(C)OC(=O)N1CCC(n2cnc3ccc(-c4ccc(Cl)cc4OCC4CCCCO4)cc32)CC1,DZWCUJKNKPDKIC-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:4:214273:224720,CC(C)(C)OC(=O)N1CCC(n2cnc3ccc(-c4cn(C(=O)OC(C)(C)C)nc4C4CC4)cc32)CC1,KYTRSVNKPOHDFI-UHFFFAOYSA-N
-rxn:4:214308:223481,Cn1c(=NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)sc2cc(-c3ccc(S(=O)(=O)N4CCC(O[Si](C)(C)C(C)(C)C)CC4)cc3F)ccc21,QYYDZEHYVIQKPL-UHFFFAOYSA-N
-rxn:4:214630:224368,CN(C(=O)OC(C)(C)C)c1cc(-c2c(C3CC3)n[nH]c2C(=O)N2CCOCC2)cnc1Cl,NTJQORXEGABYRH-UHFFFAOYSA-N
-rxn:4:214630:224691,O=C(c1ccc(-c2c(C3CC3)n[nH]c2C(=O)N2CCOCC2)cc1)N1CC2(COC2)C1,CZPDPDLYGNDDNJ-UHFFFAOYSA-N
-rxn:4:214646:223983,CCN1CCN(S(=O)(=O)c2ccccc2-c2nccc(OCC3CCN(C)CC3)n2)CC1,BKFNOWWGVVHBDK-UHFFFAOYSA-N
-rxn:4:214660:222584,Cn1ncc(-c2ccc(OCCCN3CCNCC3)c(F)c2)c1C(=O)N1CCC(C(F)(F)F)CC1,KEYDOPHJJAXTHK-UHFFFAOYSA-N
-rxn:4:214679:223671,Cn1cc(-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)c(CN2CCC(C(F)(F)F)CC2)n1,BZQWEXBVZFOXLN-UHFFFAOYSA-N
-rxn:4:214765:223603,CN(C)C1CCN(c2cccc(-c3cc(OCc4cccnc4)c(OC(F)(F)F)cc3Cl)c2[N+](=O)[O-])CC1,LBSVTLKGWQPLIG-UHFFFAOYSA-N
-rxn:4:214838:227301,CN(C)Cc1cc(F)ccc1-c1cnc(N2CCOC(C(=O)N3CCOCC3)C2)c(F)c1,GOJKGJLWMSVJBB-UHFFFAOYSA-N
-rxn:4:214838:227308,CN(C)Cc1ccc(Cl)cc1-c1cnc(N2CCOC(C(=O)N3CCOCC3)C2)c(F)c1,VCMXRQSBLAFINM-UHFFFAOYSA-N
-rxn:4:214851:225947,CN1CCN(c2ncc(-c3cncc(C(=O)N4CCCN(C5CCC5)CC4)c3)cn2)CC1,UHFSNCKKXVSGFF-UHFFFAOYSA-N
-rxn:4:214859:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3ccc(S(=O)(=O)N4CCCC(c5ccn(C)n5)C4)cc3)c2)CC1,UVONYLWXOCZABW-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:4:214871:226981,CCCCCCc1ccsc1-c1cnc(N2CCCC(C(=O)N3CCOCC3)C2)c(Cl)c1,MFCXKOSIHFRLGZ-UHFFFAOYSA-N
-rxn:4:214880:223602,Cc1cc(-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2Cl)cnc1N1CCOC(C(=O)N2CCOCC2)C1,GKTIINRTVZNUDH-UHFFFAOYSA-N
-rxn:4:214880:226231,CCCCOc1ncc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)c(C)c2)cc1C,DMLMLCBLPVCSEG-UHFFFAOYSA-N
-rxn:4:214890:222572,O=C(NCc1ccc(-c2cncc(C(=O)N3CCCN(C4CCSCC4)CC3)c2)cc1)c1cccc(F)c1,QLTNGBFYNKETCV-UHFFFAOYSA-N
-rxn:4:215183:224257,CC1CCCCN1C(=O)c1ccc(Cl)c(-c2cncc(C(=O)N3CC(N4CCc5ccccc5C4)C3)c2)c1,CVNSYNOBSBAFCZ-UHFFFAOYSA-N
-rxn:4:215216:226259,CCCCOc1ccc(-c2ccc3nc(N4CCCC(C(=O)N5CCOCC5)C4)sc3c2)cc1Cl,WDHZLQYEONFVAK-UHFFFAOYSA-N
-rxn:4:215232:222742,O=C(C1CCCN(c2ccc3ccc(-c4cc(C5CCNCC5)nc(C5CC5)c4)cc3n2)C1)N1CCOCC1,NLXYJVYGXMNWCW-UHFFFAOYSA-N
-rxn:4:215232:223508,O=C(C1CCCN(c2ccc3ccc(-c4ccc(N5CCN(S(=O)(=O)c6ccc(Cl)cc6)CC5)nc4)cc3n2)C1)N1CCOCC1,CVMQTMJYGHSVJL-UHFFFAOYSA-N
-rxn:4:215741:222524,Cn1ncc(C(=O)N2CCC(F)(F)C2)c1-c1cc(F)c(F)cc1S(=O)(=O)N1CCC(O)CC1,UCZPINGFJLBMNJ-UHFFFAOYSA-N
-rxn:4:215798:223696,C=C1CCN(c2ncc(-c3ccc(S(=O)(=O)N4CCC5(CC4)OCCO5)cc3)cc2C#N)CC1,GOCLISFLUZUTOB-UHFFFAOYSA-N
-rxn:4:215822:223493,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1nc(C2CC2)cc(N2CCCC2)n1,QGKHABLWUWJDBH-UHFFFAOYSA-N
-rxn:4:215891:223489,CN1CCN(c2ccc([N+](=O)[O-])c(-c3ccc(S(=O)(=O)N4CCC(O[Si](C)(C)C(C)(C)C)CC4)cc3)c2)CC1,HCOIEPJDGLKGFV-UHFFFAOYSA-N
-rxn:4:216267:222932,COCCNS(=O)(=O)c1ccc(-c2c(C(=O)N3CCCC4CCCCC43)cnn2C)cc1,ZHFAFZBRYBNTSO-UHFFFAOYSA-N
-rxn:4:216317:223557,CCn1nc(C)c(N2C(=O)c3cccc4c(-c5c(F)ccc6c5ccn6[Si](C(C)C)(C(C)C)C(C)C)ccc(c34)C2=O)c1C,NUTDIKQUXCKDBV-UHFFFAOYSA-N
-rxn:4:216606:223491,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cn(C4CCC4)nn3)cc(C(F)(F)F)c2)CC1,ZDFXANJDTSHCQJ-UHFFFAOYSA-N
-rxn:4:217172:223489,CC1CCCCN1c1ccnc(-c2ccc(S(=O)(=O)N3CCC(O[Si](C)(C)C(C)(C)C)CC3)cc2)n1,YEWPMHALSVEBAT-UHFFFAOYSA-N
-rxn:4:217206:223813,Cc1cc(N2CCC(C)CC2)nc(-c2ccc(CN3CCC4(CC3)OCCO4)c(F)c2)n1,HBYXWLPWPRTMPW-UHFFFAOYSA-N
-rxn:4:218587:222846,N#Cc1ccc(S(=O)(=O)N2CCC(COc3ncc(-c4cc(C5CCCNC5)ccc4C#N)cn3)CC2)cc1,JAYDLBIYZKAJMY-UHFFFAOYSA-N
-rxn:4:218604:222651,COc1ccc(C(=O)N2CCC(COc3ncc(-c4cc(C(=O)NC5CCCCC5)ccc4F)cn3)CC2)cn1,XIMLRIMDCYNRMC-UHFFFAOYSA-N
-rxn:4:218608:225217,CC1CCCN(c2cc(F)c(-c3cnc(OCC4CCCN(C(=O)c5cc(C6CC6)on5)C4)nc3)cn2)C1,CPJTVVWOZPPFQU-UHFFFAOYSA-N
-rxn:4:218615:223529,CN(CC1CCN(C(=O)OC(C)(C)C)C1)c1cnc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)c(F)c2)cn1,FYDWHDGQZNSGFE-UHFFFAOYSA-N
-rxn:4:218652:223505,CN(CC1CCN(C(=O)OC(C)(C)C)CC1)c1cnc(-c2ccc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cc2)cn1,QHSDTCSYHSAHQL-UHFFFAOYSA-N
-rxn:4:218666:225977,CC(C)(C)c1ccc(OCC2CCN(C(=O)c3cncc(-c4cc(Cl)cnc4N4CCOCC4)c3)C2)nn1,ZSNYIUKWDZVORX-UHFFFAOYSA-N
-rxn:4:218704:222790,Cc1cc(Cl)ccc1OCC(=O)N1CCCN(c2cc(-c3ccc(-c4cc(Cl)cc(NC(=O)OC(C)(C)C)c4)cc3)n[nH]2)CC1,KLMUAAVZKDIKKA-UHFFFAOYSA-N
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-rxn:4:218714:228584,Cc1cc(C)c(S(=O)(=O)N2CCN(C(=O)CCn3nc(C)c(-c4ccnc(C5CC5)c4)c3C)CC2)c(C)c1,CKMZNZUMAQIJFZ-UHFFFAOYSA-N
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-rxn:4:218824:222466,CN(CC1CN(c2ncc(-c3cc(C4CCCCC4)nc(C4CCNCC4)c3)cn2)C1)S(=O)(=O)C1CC1,GLPLBMUOUNZOSL-UHFFFAOYSA-N
-rxn:4:218824:222538,CN(CC1CN(c2ncc(-c3cc(C4CCCC4)nc(C4CCNCC4)c3)cn2)C1)S(=O)(=O)C1CC1,IPXXJKFVIJWIKT-UHFFFAOYSA-N
-rxn:4:218824:223748,CN(CC1CN(c2ncc(-c3cc(N4CCCCC4)cc(N4CCCCC4)c3)cn2)C1)S(=O)(=O)C1CC1,YBAUOZBUBBYNSW-UHFFFAOYSA-N
-rxn:4:218824:224153,CN(CC1CN(c2ncc(-c3cc(N4CCCC4)cc(N4CCCC4)c3)cn2)C1)S(=O)(=O)C1CC1,CZUWVDTVRNFYMT-UHFFFAOYSA-N
-rxn:4:218824:224267,CN(CC1CN(c2ncc(-c3cccc(N4CCC5(CC4)OCCO5)c3)cn2)C1)S(=O)(=O)C1CC1,IVVQFTRIZXAELX-UHFFFAOYSA-N
-rxn:4:218824:224355,CN(CC1CN(c2ncc(-c3ccc(N4CCC5(CC4)OCCO5)nc3)cn2)C1)S(=O)(=O)C1CC1,DIHYLWOCNNXCRG-UHFFFAOYSA-N
-rxn:4:218824:224991,CN(CC1CN(c2ncc(-c3cc(C4CC4)nc(N4CCCC4)c3)cn2)C1)S(=O)(=O)C1CC1,OIVFECVNHWAQMO-UHFFFAOYSA-N
-rxn:4:218824:225882,CN(CC1CN(c2ncc(-c3cnc(Cl)c(C4CCOCC4)c3)cn2)C1)S(=O)(=O)C1CC1,WWTJIQFEBMBMSC-UHFFFAOYSA-N
-rxn:4:218892:222584,Cc1ccc(OCC2CCN(C(=O)c3cncc(-c4ccc(OCCCN5CCNCC5)c(F)c4)c3)C2)nn1,LBNQASSAUJZWEW-UHFFFAOYSA-N
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-rxn:4:218993:224759,Cc1nc(C)c(CN2CCC(COc3ncc(-c4cc(F)cc(C(=O)N5CCOCC5)c4)cn3)CC2)s1,QXQPPKVHMFEPIA-UHFFFAOYSA-N
-rxn:4:219053:223059,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cncc(-c4ccc(N5CCNCC5)cc4Cl)c3)cn2)CC1,VZYLQNPPVZOZNS-UHFFFAOYSA-N
-rxn:4:219381:225943,CSc1ncc(-c2ccc(C(=O)N3CCOCC3)s2)c(N2CCN(S(=O)(=O)C3CC3)CC2)n1,FUGBICYPSQSPDY-UHFFFAOYSA-N
-rxn:4:219402:222584,CC(C)(C)OC(=O)N1CCN(c2cnc(-c3ccc(OCCCN4CCNCC4)c(F)c3)cn2)CC1,LVBKFFYRIOTCEI-UHFFFAOYSA-N
-rxn:4:219403:226769,COC(=O)c1cc(F)c(F)c(-c2cnn(CC3CN(C4CCN(C5CC5)C4=O)C3)c2)c1,LBNPCEPCKLOJKL-UHFFFAOYSA-N
-rxn:4:219407:224276,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3cn(C(=O)OC(C)(C)C)c4cccnc34)cn2)CC1,LZGBWXTTZOJRNH-UHFFFAOYSA-N
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-rxn:4:219414:227480,CCCOc1nccc(-c2cnc(N3CCOC(C(=O)N4CCCC4)C3)c(C#N)c2)c1Cl,IHNGNWOOAJERFV-UHFFFAOYSA-N
-rxn:4:219419:225952,Cc1nc(N2CCN(C(=O)c3ccc(-c4cnc(N5CCOCC5)nc4C)o3)CC2)cc(C(F)(F)F)n1,LTHQKQXFCJEOCT-UHFFFAOYSA-N
-rxn:4:219456:223121,CC1CN(C(=O)OC(C)(C)C)CCC1n1ncc(-c2ccc(C(=O)NC3CC3)cc2)n1,BGJLQBFABYZMOP-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:4:219501:223602,CSc1ncc(-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2Cl)c(N2CCOC(C(=O)N3CCOCC3)C2)n1,PDLWBXWDGSMEJF-UHFFFAOYSA-N
-rxn:4:219501:227301,CSc1ncc(-c2ccc(F)cc2CN(C)C)c(N2CCOC(C(=O)N3CCOCC3)C2)n1,WPHSTWYKWVMXIB-UHFFFAOYSA-N
-rxn:4:219627:227711,CC(C)(C)OC(=O)N1C2CCC1CN(c1nnc(-c3ccc(F)c(OC(F)F)c3)s1)C2,JIWCCXXIEIKVPM-UHFFFAOYSA-N
-rxn:4:219689:223637,CC(C)(C)OC(=O)N1CCN(c2ccc3ncc(-c4ccccc4C4CCCN(C(=O)OC(C)(C)C)C4)n3c2)CC1,HVPXGOXDUYMUGH-UHFFFAOYSA-N
-rxn:4:219716:224820,Cc1cc(N2CC3CN(C(=O)Cc4ccc(-c5cccc(S(=O)(=O)N6CCOCC6)c5)cc4)CC3C2)ncn1,VDXBRMLWJOYMKX-UHFFFAOYSA-N
-rxn:4:219742:225570,COC(=O)c1ccc(C2CC2)c(-c2cncc(C(=O)N3CCC(Cn4nc5c(cc4=O)CCC5)CC3)c2)c1,IIQUAFCAQIBBKW-UHFFFAOYSA-N
-rxn:4:219955:223649,CC(C)(C)OC(=O)N1CCN(c2cccc(-c3cnc(N4CCOC(C(=O)N5CCSCC5)C4)nc3)c2)CC1,XSHLHCIKFLJVSY-UHFFFAOYSA-N
-rxn:4:219977:222466,Cc1ccc(N2CCN(Cc3ccccc3-c3cc(C4CCCCC4)nc(C4CCNCC4)c3)CC2)nn1,KAKCYMVHLJRKAF-UHFFFAOYSA-N
-rxn:4:220040:223526,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3nc4n(n3)CCN(C(=O)OC(C)(C)C)C4)cc2)CC1,ZFKHLUDQVUOLGV-UHFFFAOYSA-N
-rxn:4:220137:222803,O=S(=O)(C1CC1)N1CCN(c2ncc3cc(-c4ccc(C5CCNC5)c(C(F)(F)F)c4)ccc3n2)CC1,BEKFZOJJBFXARD-UHFFFAOYSA-N
-rxn:4:220267:224486,Cc1cc(C)c(C)c(C2=NON3N(C(=O)c4ccc(-c5cccc(C(=O)N(C(C)C)C(C)C)c5)cc4)c4ccccc4N23)c1C,MGEHHKYDVASGQA-UHFFFAOYSA-N
-rxn:4:220394:223696,CN1CCN(c2ncc(-c3ccc(S(=O)(=O)N4CCC5(CC4)OCCO5)cc3)cc2C#N)CC1,KOFJQAGUSWKXAF-UHFFFAOYSA-N
-rxn:4:221145:222538,CN(C1CN(c2nccnc2C#N)C1)S(=O)(=O)c1ccccc1-c1cc(C2CCCC2)nc(C2CCNCC2)c1,FIOGINWRFGJLEK-UHFFFAOYSA-N
-rxn:4:221145:222628,CN(C1CN(c2nccnc2C#N)C1)S(=O)(=O)c1ccccc1-c1cc(C2CCC2)nc(C2CCCNC2)c1,XLQNZLUMZMZWFK-UHFFFAOYSA-N
-rxn:4:221191:222541,Cc1cc(N2CCCC(COc3ncc(-c4ccc(C(=O)NCCN5CCCCC5)cc4)cn3)C2)nc(C2CC2)n1,OKSDRGALBRTRFO-UHFFFAOYSA-N
-rxn:4:221208:223118,CCCC(=O)Nc1cccc(-c2ccc(CCN3CCN(c4cc(C)nc(N5CCOCC5)n4)CC3)cc2)c1,OXPQEIWPDHJHCD-UHFFFAOYSA-N
-rxn:4:221249:223527,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)ccc2-c2cnn3cc(-c4ccc(N5CCN(C(=O)OC(C)(C)C)CC5)cc4)cnc23)CC1,PRZLDRFIZXQVMT-UHFFFAOYSA-N
-rxn:4:221415:222848,CCc1cc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N(C)C)n4)CC3)cc2)cc(C2CCCNC2)n1,OBWSMONMYONKAQ-UHFFFAOYSA-N
-rxn:4:221428:222967,CC(C)CNC(=O)c1cccc(-c2ccc(CN3CCN(c4ccc(N5CCOCC5)nn4)CC3)cc2)c1,OOOGJYMWZPWFHC-UHFFFAOYSA-N
-rxn:4:221447:224398,Cc1cc(N2CCN(Cc3ccc(-c4cc(S(=O)(=O)N5CCCC5)c(C)cc4F)cc3)CC2)nc(N2CCOCC2)n1,DTQXRXTYLIKHRE-UHFFFAOYSA-N
-rxn:4:221453:223505,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4ccc(S(=O)(=O)N5CCN(C(=O)OC(C)(C)C)CC5)cc4)cc3)CC2)n1,JOPYRGDGOKFYHI-UHFFFAOYSA-N
-rxn:4:221456:224751,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(F)c(C(=O)N5CCOCC5)c4)cc3)CC2)n1,FLHXALNCDUWYKX-UHFFFAOYSA-N
-rxn:4:221456:225361,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cn(C5CCCC5)nc4C(F)(F)F)cc3)CC2)n1,RLHRRELZNKWCSB-UHFFFAOYSA-N
-rxn:4:221456:225548,CCOC(=O)c1ccc(CC)cc1-c1ccc(S(=O)(=O)N2CCN(c3nc(C)cc(N4CCCCC4)n3)CC2)cc1,YHQKKFRKZQDCEC-UHFFFAOYSA-N
-rxn:4:221633:223679,CCN1CCN(S(=O)(=O)c2c(C)cc(-c3cc(C(F)(F)F)cnc3N3CCN(c4nccc(C)n4)CC3)cc2C)CC1,XHUNVSRYLRNIKP-UHFFFAOYSA-N
-rxn:4:221940:223595,Cn1cnnc1CN1CCC(COc2ncc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)c(F)c3)cn2)CC1,CVYUTBJOUTVYPS-UHFFFAOYSA-N
-rxn:4:221982:223691,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(OCc7cccnc7)c(C(F)(F)F)cc6Cl)cc5)no4)C3C2=O)cc1,ONHQEOXCKABSFW-UHFFFAOYSA-N
-rxn:4:222031:223696,CN(C)c1nccc(N2CCN(c3ncc(C(F)(F)F)cc3-c3ccc(S(=O)(=O)N4CCC5(CC4)OCCO5)cc3)CC2)n1,AWWXKHIDIMHXMS-UHFFFAOYSA-N
-rxn:4:222034:223830,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(S(=O)(=O)N4CCN(c5ccc(-n6cccn6)nn5)CC4)cc3)ccc2C)CC1,XKUHGEXCNJVTPG-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:4:222168:223880,Cc1ccc2c(c1)cc(-c1cnc(N3CCN(c4cc(C5CCOCC5)ncn4)CC3)nc1)n2C(=O)OC(C)(C)C,QMDZQQMEBNNWQF-UHFFFAOYSA-N
-rxn:4:222169:224652,Cc1nc(N2CCN(c3ncc(-c4ccc(Cl)c(O[Si](C)(C)C(C)(C)C)c4)cn3)CC2)cc(C(C)(C)C)n1,WHSZPQBHPVQMPB-UHFFFAOYSA-N
-rxn:4:222331:224379,CN1CCN(S(=O)(=O)c2ccccc2-c2cnc(N3CCN(c4nccc(N5CCOCC5)n4)CC3)nc2)CC1,IEXQHQBKBFQOSN-UHFFFAOYSA-N
-rxn:4:222336:223579,Cc1cc(C)n(-c2ccc(=O)n(C3CCN(c4ncc(-c5ccc(N6CCN(C(=O)OC(C)(C)C)CC6C)cc5)cn4)CC3)n2)n1,JLDRYEGJAOFQMC-UHFFFAOYSA-N
-rxn:4:222522:215944,COc1ccc(-c2cccc(N3CCC(N(C)C)CC3)n2)cc1S(=O)(=O)N1CCC(O)CC1,UOYYDCBLMZOAJS-UHFFFAOYSA-N
-rxn:4:222523:189682,CC(C)(C)NS(=O)(=O)c1ccc(-c2cccc(F)c2/C=N/[S@@](=O)C(C)(C)C)c(C(F)(F)F)c1,ARIVLIFCIMYREG-MCKRUILJSA-N
-rxn:4:222611:186965,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(C#N)cc1OCC1CCCCC1,HNIHYCVZZQECDN-UHFFFAOYSA-N
-rxn:4:222712:174499,COc1ccc(-c2cc(C(=O)OC(C)(C)C)cc(-c3ccc(NC(=O)OC(C)(C)C)c(F)c3F)c2)c(F)c1,YDIURGSCBMHNJB-UHFFFAOYSA-N
-rxn:4:222752:174528,COc1ccc(C)c(-c2c(C(C)C)cc(C(C)C)cc2C(C)C)c1-c1ccc(NC(=O)OC(C)(C)C)cc1C,PZUCHIDPNDNXOK-UHFFFAOYSA-N
-rxn:4:222881:174593,COC(=O)c1c(C)oc2cc(-c3ccc(C(=O)NC(C)(C)C)cc3F)c(OC(=O)C(C)(C)C)cc12,AAALKAILXGZBFG-UHFFFAOYSA-N
-rxn:4:223060:185303,CCOc1ccc(-c2cc(Cl)nc(C3CCNCC3)c2)cc1S(=O)(=O)N(C)C1CCCCC1,NSTNOXMGJSRIQI-UHFFFAOYSA-N
-rxn:4:223102:185353,CC(C)(C)NS(=O)(=O)c1sccc1-c1ccc(CC(=O)N2CCC(S(=O)(=O)C(C)(C)C)C2)cc1,GGNLWMUJQBFEON-UHFFFAOYSA-N
-rxn:4:223490:195102,Cc1ccc(-c2c(C(F)F)ccnc2Cl)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,DCHMLOGQZSEAFO-UHFFFAOYSA-N
-rxn:4:223570:204752,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc(C(=O)N=C4SC5CS(=O)(=O)CC5N4c4ccccc4)cc3)c(F)ncc21,AGTTYWJYUSXHLS-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:4:223641:174649,CCc1cc2c(cc1F)cc(-c1ccc(OC)c(C=C3Oc4cc(OC(=O)C(C)(C)C)ccc4C3=O)c1)n2C(=O)OC(C)(C)C,GFFWXUHWWIVAEE-UHFFFAOYSA-N
-rxn:4:223771:185492,COC(=O)c1cccc2c1c(-c1cc3cc(OC)ccc3n1C(=O)OC(C)(C)C)cn2C(=O)OC(C)(C)C,KAHWWLHMSQQFMQ-UHFFFAOYSA-N
-rxn:5:176857:225819:225978,COC(=O)c1cc(OC)c(-c2ccc(N3CCOCC3)nc2F)cc1-c1cc(C(F)(F)F)ccc1C1CC1,FSSBDRFLRNCSQR-UHFFFAOYSA-N
-rxn:5:176860:223056:225849,COC(=O)c1c(-c2ccc(N3CCC(O)CC3)nc2)ccc(OC)c1-c1cnc(N2CCCCC2)cc1F,SDPUSUNKOBLIAK-UHFFFAOYSA-N
-rxn:5:177732:223056:226679,CC(C)(C)OC(=O)c1ccc(-c2ccc(N3CCC(O)CC3)nc2)c(-c2cnc(N3CCCC3)cc2F)c1,BYFTYEPBMOTBKA-UHFFFAOYSA-N
-rxn:5:177732:223061:225982,CC(C)(C)OC(=O)c1ccc(-c2cc(C3CCNCC3)ncc2F)c(-c2cnc(N3CCOCC3)cc2F)c1,ORKYYAIROZUPJC-UHFFFAOYSA-N
-rxn:5:177736:223061:225982,CC(C)(C)OC(=O)c1ccc(-c2cnc(N3CCOCC3)cc2F)c(-c2cc(C3CCNCC3)ncc2F)c1,PPTTUURZDITELR-UHFFFAOYSA-N
-rxn:5:177736:225976:225982,CC(C)(C)OC(=O)c1ccc(-c2cnc(N3CCOCC3)cc2F)c(-c2ccnc(N3CCOCC3)c2F)c1,BQJQYGUIQAOTNT-UHFFFAOYSA-N
-rxn:5:177891:228260:226414,CC(F)(F)c1cccc(-c2ccccc2C(=O)SC2CS(=O)(=O)CC2c2ccc(C3=NCCCO3)cc2)c1,ZBABDEYXMCBKFW-UHFFFAOYSA-N
-rxn:5:177891:228383:225515,Cc1cc(-c2ccccc2C(=O)SC2CS(=O)(=O)CC2c2cccc3c2OCC(C)(C)CO3)cnc1C(F)F,ITFPRYZUGGPYRM-UHFFFAOYSA-N
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-rxn:5:178295:228178:226769,COCc1ccc(F)c(-c2ccc(-c3cc(C(=O)OC)cc(F)c3F)cc2C2(C(=O)OC)CCC(=O)CC2)c1,XWSWZJSKOJLHMI-UHFFFAOYSA-N
-rxn:5:178295:229204:225462,CCc1sccc1-c1ccc(-c2cccc(N3CCC(C)CC3)c2)cc1C1(C(=O)OC)CCC(=O)CC1,VXWRIUQVZNHIQI-UHFFFAOYSA-N
-rxn:5:178466:225849:225784,CC(C)OC(=O)c1sc2cc(-c3cnc(N4CCCCC4)cc3F)ccc2c1-c1ccc(CN2CCOCC2)nc1,ZHAQGUIPFDPEGG-UHFFFAOYSA-N
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-rxn:5:178467:225603:226665,CCOC(=O)C1=Cc2cc(-c3cnc(C4CCCOC4)nc3)cc(-c3cccc(C4(C#N)CCC4)c3F)c2OC1,QCFZQUGJNKSQSQ-UHFFFAOYSA-N
-rxn:5:178467:226326:226665,CCOC(=O)C1=Cc2cc(-c3cnc(C4CCCOC4)nc3)cc(-c3cccc(C4(C#N)CC4)c3F)c2OC1,HJBJNXQHSOGUBG-UHFFFAOYSA-N
-rxn:5:178467:226588:227278,CCOC(=O)C1=Cc2cc(-c3ccc(C4(C#N)CC4)nc3)cc(-c3cc(OC4CCC4)ncc3F)c2OC1,IEVIOLIVRQPXEN-UHFFFAOYSA-N
-rxn:5:178467:227303:226382,CCOC(=O)C1=Cc2cc(-c3cnc(C4CCCCC4)nc3)cc(-c3cccc(CN(C)C)c3F)c2OC1,OMNGYFPXYNKDSE-UHFFFAOYSA-N
-rxn:5:178467:227911:222991,CCOC(=O)C1=Cc2cc(-c3ccc(N4CCCC(O)C4)cc3)cc(-c3ccc(CC)c(C#N)c3)c2OC1,VUBDKQKWBBAGPI-UHFFFAOYSA-N
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-rxn:5:189662:223006:227778,O=[N+]([O-])c1c(F)cc(F)cc1-c1ncc(-c2ccc(F)c(C3CCNCC3)c2)cc1OCC1CCOCC1,HRNQNMALDTWZTJ-UHFFFAOYSA-N
-rxn:5:189662:225605:227710,Cc1cnc(OC2CCCC2)c(-c2cnc(-c3ccc(OS(C)(=O)=O)cc3)c(OCC3CCOCC3)c2)c1,YAALOYUEQJRGHV-UHFFFAOYSA-N
-rxn:5:189662:227778:223006,O=[N+]([O-])c1c(F)cc(F)cc1-c1cnc(-c2ccc(F)c(C3CCNCC3)c2)c(OCC2CCOCC2)c1,JMIINGRVYFLWJZ-UHFFFAOYSA-N
-rxn:5:189662:227778:223061,O=[N+]([O-])c1c(F)cc(F)cc1-c1cnc(-c2cc(C3CCNCC3)ncc2F)c(OCC2CCOCC2)c1,XXBIZZPAEHXMJK-UHFFFAOYSA-N
-rxn:5:189662:227778:223062,O=[N+]([O-])c1c(F)cc(F)cc1-c1cnc(-c2cnc(C3CCNCC3)cc2F)c(OCC2CCOCC2)c1,NQNUKUHIHCUAQB-UHFFFAOYSA-N
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-rxn:5:189669:226922:225874,Cc1cc(C2CC2)cc(C)c1-c1ccc(/C=N/S(=O)C(C)(C)C)cc1-c1ccc(F)c(N2CCOCC2)c1,IUWRGCVVAZHHCF-QXUDOOCXSA-N
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-rxn:5:189718:225601:223242,N#CC1(c2ccc(-c3cc(OC4CCOCC4)c([N+](=O)[O-])cc3-c3ccnc(C4CCNC4)c3)c(F)c2)CCC1,RBVNALTXYFLCKX-UHFFFAOYSA-N
-rxn:5:189718:226331:223063,N#CC1(c2ccc(-c3cc(OC4CCOCC4)c([N+](=O)[O-])cc3-c3cc(F)nc(C4CCNCC4)c3)c(F)c2)CC1,OKBCDKYMGZTFPI-UHFFFAOYSA-N
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-rxn:5:189718:226331:223242,N#CC1(c2ccc(-c3cc(OC4CCOCC4)c([N+](=O)[O-])cc3-c3ccnc(C4CCNC4)c3)c(F)c2)CC1,LHUQUKGMQNWNCA-UHFFFAOYSA-N
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-rxn:5:189718:229085:223065,O=[N+]([O-])c1cc(-c2ccc(N3CCNCC3)cc2F)c(-c2scnc2C2CC2)cc1OC1CCOCC1,GLWYFJKTNWMBND-UHFFFAOYSA-N
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-rxn:5:189908:227778:223006,O=[N+]([O-])c1c(F)cc(F)cc1-c1cnc(-c2ccc(F)c(C3CCNCC3)c2)c(OCC2CCCCC2)c1,CEPDQIIOAHEQHA-UHFFFAOYSA-N
-rxn:5:189908:227778:223061,O=[N+]([O-])c1c(F)cc(F)cc1-c1cnc(-c2cc(C3CCNCC3)ncc2F)c(OCC2CCCCC2)c1,AGHDPQXDHCHZCL-UHFFFAOYSA-N
-rxn:5:189908:227778:223062,O=[N+]([O-])c1c(F)cc(F)cc1-c1cnc(-c2cnc(C3CCNCC3)cc2F)c(OCC2CCCCC2)c1,RTQCPBLKFWHQPO-UHFFFAOYSA-N
-rxn:5:189908:227778:223063,O=[N+]([O-])c1c(F)cc(F)cc1-c1cnc(-c2cc(F)nc(C3CCNCC3)c2)c(OCC2CCCCC2)c1,OKDVOOYSKPMHCQ-UHFFFAOYSA-N
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-rxn:5:189909:223065:223141,Fc1cc(N2CCNCC2)ccc1-c1ccc(-c2cncc(C3CCNCC3)c2)cc1CCN1CCOCC1,UJVNPLBETZINGK-UHFFFAOYSA-N
-rxn:5:189952:223061:226645,COc1c(-c2ccnc(N3CCOCC3)c2)cc(C(=O)N2CCOCC2)cc1-c1cc(C2CCNCC2)ncc1F,NPGJFSRFRKCWSE-UHFFFAOYSA-N
-rxn:5:190127:228101:225931,COC1CCN(C(=O)c2cc(-c3cc(C#N)cc(C#N)c3)ccc2-c2cc(C)cc(S(=O)(=O)N(C)C)c2)CC1,QVXJIHWVPCYBRX-UHFFFAOYSA-N
-rxn:5:190128:223008:227080,COC1CCN(C(=O)c2ccc(-c3cc(C4CCNCC4)ccc3F)c(-c3cccc(N4CCCC4)c3)c2)CC1,ALYLHXJTZCVHRO-UHFFFAOYSA-N
-rxn:5:190132:227357:227764,CCC(=O)c1cc(-c2ccc(C(=O)N3CCC(OC)CC3)c(-c3cc(F)c(C(F)F)c(F)c3)c2)ccc1F,WQUMARGROLUCFZ-UHFFFAOYSA-N
-rxn:5:190194:223062:227297,COC1CCN(Cc2cccc(-c3cnc(C4CCNCC4)cc3F)c2-c2cc(CN(C)C)ccc2F)CC1,RBCOVOAXBJUDFZ-UHFFFAOYSA-N
-rxn:5:190194:223063:227303,COC1CCN(Cc2cccc(-c3cc(F)nc(C4CCNCC4)c3)c2-c2cccc(CN(C)C)c2F)CC1,BRWPEMBMVXHWCH-UHFFFAOYSA-N
-rxn:5:190194:227298:223062,COC1CCN(Cc2cccc(-c3cc(F)ccc3CN(C)C)c2-c2cnc(C3CCNCC3)cc2F)CC1,CTTVZCAAJDGWFT-UHFFFAOYSA-N
-rxn:5:190194:227301:223062,COC1CCN(Cc2cccc(-c3ccc(F)cc3CN(C)C)c2-c2cnc(C3CCNCC3)cc2F)CC1,UHVCDRLMNHYYKH-UHFFFAOYSA-N
-rxn:5:190194:227449:227297,COC1CCN(Cc2cccc(-c3ccc(C4CCOCC4)s3)c2-c2cc(CN(C)C)ccc2F)CC1,JZVDMRJXUKMOOD-UHFFFAOYSA-N
-rxn:5:190194:227656:227297,COC1CCN(Cc2cccc(-c3cc(N4CCOCC4)cs3)c2-c2cc(CN(C)C)ccc2F)CC1,ALVGOOLJOZDOLM-UHFFFAOYSA-N
-rxn:5:190194:228692:223061,COC1CCN(Cc2cccc(-c3ccc(CN(C)C)s3)c2-c2cc(C3CCNCC3)ncc2F)CC1,TWYRFEYMBFOEGK-UHFFFAOYSA-N
-rxn:5:190194:228692:223062,COC1CCN(Cc2cccc(-c3ccc(CN(C)C)s3)c2-c2cnc(C3CCNCC3)cc2F)CC1,RFEFYWJQYROTNF-UHFFFAOYSA-N
-rxn:5:190194:228692:225881,COC1CCN(Cc2cccc(-c3ccc(CN(C)C)s3)c2-c2ccc(C3CCOCC3)nc2F)CC1,NYLYVBGLCLIQCI-UHFFFAOYSA-N
-rxn:5:190194:228695:225849,COC1CCN(Cc2cccc(-c3csc(CN(C)C)c3)c2-c2cnc(N3CCCCC3)cc2F)CC1,XFLAURYJOPGTOE-UHFFFAOYSA-N
-rxn:5:190194:228695:225880,COC1CCN(Cc2cccc(-c3csc(CN(C)C)c3)c2-c2cc(C3CCOCC3)ncc2F)CC1,NFNOTJLDSCFCFC-UHFFFAOYSA-N
-rxn:5:190194:228695:225881,COC1CCN(Cc2cccc(-c3csc(CN(C)C)c3)c2-c2ccc(C3CCOCC3)nc2F)CC1,DUANIUBTUXEEMB-UHFFFAOYSA-N
-rxn:5:190195:225849:226395,CN(Cc1ccc(-c2cnc(N3CCCCC3)cc2F)c(-c2cncc(N3CCCCC3)c2)c1)C1CCOCC1,GLNKSPWXGAXIEB-UHFFFAOYSA-N
-rxn:5:190195:226571:222417,CC(C)c1[nH]c(=O)ncc1-c1cc(CN(C)C2CCOCC2)ccc1-c1cnn(CC2CCOCC2)c1,TVBOGCAYOUVURL-UHFFFAOYSA-N
-rxn:5:190197:226139:225655,CC1CCN(c2cncc(-c3ccc(CN(C)C4CCOCC4)c(-c4cc(C5CC5)cnc4C4CC4)c3)c2)CC1,QRCBYYLRCFBJTP-UHFFFAOYSA-N
-rxn:5:190197:227292:223063,CN(C)Cc1cc(-c2cc(-c3cc(F)nc(C4CCNCC4)c3)ccc2CN(C)C2CCOCC2)ccc1F,YKYVLAMQUPLFNJ-UHFFFAOYSA-N
-rxn:5:190197:227301:223006,CN(C)Cc1cc(F)ccc1-c1cc(-c2ccc(F)c(C3CCNCC3)c2)ccc1CN(C)C1CCOCC1,KWEZRFDMQUTHLJ-UHFFFAOYSA-N
-rxn:5:190197:227301:223063,CN(C)Cc1cc(F)ccc1-c1cc(-c2cc(F)nc(C3CCNCC3)c2)ccc1CN(C)C1CCOCC1,TZVAATGMCCGBJM-UHFFFAOYSA-N
-rxn:5:190197:227301:223065,CN(C)Cc1cc(F)ccc1-c1cc(-c2ccc(N3CCNCC3)cc2F)ccc1CN(C)C1CCOCC1,XHBXFELYELWBLR-UHFFFAOYSA-N
-rxn:5:190198:226597:226212,CON=C1CCc2cc(-c3cccc(-c4cc(F)c(OC(C)C)c(F)c4)c3CN(C)C3CCOCC3)ccc21,ZAXBZFQUXXGHOV-UHFFFAOYSA-N
-rxn:5:190265:227592:227052,COc1cc(F)cc(-c2cc(CC(=O)N3CCCC(C)C3)ccc2-c2ccc(SC(C)(C)C)cc2)c1OC,HFVVLAOFRYBHET-UHFFFAOYSA-N
-rxn:5:190308:226068:226685,Cc1cc(C(C)(C)C)cc(C)c1-c1ccc(-c2cnc(C3CCOCC3)nc2)c(CCN2CCCC(C)C2)c1,NLLYJIGJHZSWIP-UHFFFAOYSA-N
-rxn:5:190308:227413:223131,CC1CCCN(CCc2cc(-c3cnc(C4CCC4)cc3F)ccc2-c2ccc(N3CCNCC3)cc2)C1,JLSIRDLMZGRPKJ-UHFFFAOYSA-N
-rxn:5:190336:223252:227749,COc1c(-c2cc(F)cc(C(F)(F)F)c2)cc(C(=O)N2CCCC(C)C2)cc1-c1cc(F)c2c(c1)NCCO2,KZJHFDKTMYZOKS-UHFFFAOYSA-N
-rxn:5:190336:228974:222405,COc1c(-c2cccc(C3NC(=O)NC3=O)c2)cc(C(=O)N2CCCC(C)C2)cc1-c1cnn(S(C)(=O)=O)c1,MUIZGQGEEOIFIM-UHFFFAOYSA-N
-rxn:5:190404:226745:226835,CCc1ncc(C(F)(F)F)cc1-c1ccc(C(=O)N2CCSC(c3ccccc3-c3cc(C(F)(F)F)nn3C(C)C)CC2)o1,BFTWYBCIWYNPKC-UHFFFAOYSA-N
-rxn:5:190459:225593:223230,CC(=O)Nc1ccc(-c2ccccc2C2CCN(C(=O)c3ccccc3-c3cc(F)cc(CN4CCCC4)c3)CCS2)c(C)c1,OSASMDQHYCKWCW-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:5:190740:223056:225849,CCOC(=O)c1cnc2c(C)cc(-c3ccc(N4CCC(O)CC4)nc3)cc2c1-c1cnc(N2CCCCC2)cc1F,SXKJGACBTAPKRD-UHFFFAOYSA-N
-rxn:5:190740:225881:225834,CCOC(=O)c1cnc2c(C)cc(-c3ccc(C4CCOCC4)nc3F)cc2c1-c1cc(N2CCCCC2)ncc1F,KRHMEHRDKWGZPY-UHFFFAOYSA-N
-rxn:5:190740:225982:225834,CCOC(=O)c1cnc2c(C)cc(-c3cnc(N4CCOCC4)cc3F)cc2c1-c1cc(N2CCCCC2)ncc1F,YJFVPFWDHJVRDX-UHFFFAOYSA-N
-rxn:5:190741:225784:225833,CCOC(=O)c1cnc2c(-c3ccc(CN4CCOCC4)nc3)cc(C)cc2c1-c1ccnc(N2CCCCC2)c1F,JVILRTFHJBYXKG-UHFFFAOYSA-N
-rxn:5:190742:223056:225982,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(N4CCC(O)CC4)nc3)c2c1-c1cnc(N2CCOCC2)cc1F,XRENYLQBOOBXGG-UHFFFAOYSA-N
-rxn:5:190742:223061:225978,CCOC(=O)c1cnc2c(C)ccc(-c3cc(C4CCNCC4)ncc3F)c2c1-c1ccc(N2CCOCC2)nc1F,DJXUZLIFODZYAD-UHFFFAOYSA-N
-rxn:5:190744:225656:225834,CCOC(=O)c1cnc2c(-c3cncc(N4CCCCC4C)c3)c(C)ccc2c1-c1cc(N2CCCCC2)ncc1F,CJDUJQSOJSHNRI-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:5:190998:225870:223384,CNC(=O)c1ccc(-c2ccc(N3Cc4cc(-c5cc(F)cc(N6CCOCC6)c5)ccc4OCC3=O)c(C(=O)OC)c2)cn1,OTMAMQFTLYPPOT-UHFFFAOYSA-N
-rxn:5:191026:226913:228415,CCc1cc(-c2ccc3c(c2)N(c2ccc(C)c(-c4cc(F)ccc4C(F)F)c2)C=C(C(=O)OC)S3(=O)=O)cc(C2CC2)c1,UTFDNHICERXVGZ-UHFFFAOYSA-N
-rxn:5:191026:227076:227558,CCC(C)c1ccc(F)c(-c2ccc3c(c2)N(c2ccc(C)c(-c4ccc(OC(F)F)cc4C)c2)C=C(C(=O)OC)S3(=O)=O)c1,IKUYJQLEKDDVKY-UHFFFAOYSA-N
-rxn:5:191802:225943:223062,O=C(c1ccc(-c2cc(-c3cnc(C4CCNCC4)cc3F)ccc2C=C[N+](=O)[O-])s1)N1CCOCC1,LGYYVKZCNDTSOC-UHFFFAOYSA-N
-rxn:5:193230:223062:225590,O=C(c1ccc(-c2cnc(C3CCNCC3)cc2F)cc1-c1ccc(CN2CCCC2)c(F)c1)N1CCOCC1,WAWPYQULELYCLV-UHFFFAOYSA-N
-rxn:5:193230:223065:225655,CC1CCN(c2cncc(-c3cc(-c4ccc(N5CCNCC5)cc4F)ccc3C(=O)N3CCOCC3)c2)CC1,ANDLOXRFAHATRT-UHFFFAOYSA-N
-rxn:5:193329:226583:227803,CN(C)S(=O)(=O)n1nccc1-c1c(-c2ccc(CN3CCOCC3)s2)ccnc1OC1CCCCC1,OZNRDTNRNMBWBS-UHFFFAOYSA-N
-rxn:5:193382:222956:227438,Cc1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3ccnc(C4CCOC4)c3)c2)c(C2CCCNC2)c1,MPUVXIUDAKFBDY-UHFFFAOYSA-N
-rxn:5:193382:222957:223062,Cc1cc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3cnc(C4CCNCC4)cc3F)c2)cc(C2CCCNC2)c1,OVFGHNISEJDNJC-UHFFFAOYSA-N
-rxn:5:193382:222957:225641,Cc1cc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3ccnc(N4CCCC(C)C4)c3)c2)cc(C2CCCNC2)c1,MSFNHDKZHYHPMS-UHFFFAOYSA-N
-rxn:5:193382:222958:223199,Cc1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3cccc(C4CCNC4)c3)c2)cc1C1CCNCC1,HYZMXOSXSSDNCF-UHFFFAOYSA-N
-rxn:5:193382:222985:227086,Cc1nc(C2CCCNC2)ccc1-c1ccc(S(=O)(=O)N2CCOCC2)c(-c2ccnc(C3CCCC3)c2)c1,KOYDAYJFIQQCDP-UHFFFAOYSA-N
-rxn:5:193382:222985:227438,Cc1nc(C2CCCNC2)ccc1-c1ccc(S(=O)(=O)N2CCOCC2)c(-c2ccnc(C3CCOC3)c2)c1,OVRHGUKGXODRDQ-UHFFFAOYSA-N
-rxn:5:193382:222986:223008,Cc1cc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3cc(C4CCNCC4)ccc3F)c2)cc(C2CCCNC2)n1,WYEKOAZPZWRNRU-UHFFFAOYSA-N
-rxn:5:193382:222987:223241,Cc1nc(C2CCNCC2)ccc1-c1ccc(S(=O)(=O)N2CCOCC2)c(-c2cncc(C3CCNC3)c2)c1,GXMROOLSRDZRBV-UHFFFAOYSA-N
-rxn:5:193382:222988:225879,Cc1cc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3ccc(N4CCOCC4)cc3F)c2)cc(C2CCNCC2)n1,FRKSJDRRVANNNC-UHFFFAOYSA-N
-rxn:5:193382:223004:225640,CC1CCCCN1c1cc(-c2cc(-c3ccc(C4CCNCC4)c(F)c3)ccc2S(=O)(=O)N2CCOCC2)ccn1,QUEKTFRNHXQYRB-UHFFFAOYSA-N
-rxn:5:193382:223008:222998,O=S(=O)(c1ccc(-c2cc(C3CCNCC3)ccc2F)cc1-c1cc(F)cc(C2CCCNC2)c1)N1CCOCC1,OFIDVTDDDNZSND-UHFFFAOYSA-N
-rxn:5:193382:223058:225874,O=S(=O)(c1ccc(-c2cc(F)nc(C3CCCNC3)c2)cc1-c1ccc(F)c(N2CCOCC2)c1)N1CCOCC1,CSUWSCIOCHEWDC-UHFFFAOYSA-N
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-rxn:5:193382:223062:223140,O=S(=O)(c1ccc(-c2cnc(C3CCNCC3)cc2F)cc1-c1ccnc(C2CCCNC2)c1)N1CCOCC1,ULLUECIOOMXDOZ-UHFFFAOYSA-N
-rxn:5:193382:223063:222958,Cc1ccc(-c2cc(-c3cc(F)nc(C4CCNCC4)c3)ccc2S(=O)(=O)N2CCOCC2)cc1C1CCNCC1,QCBJDPKWJSLYGW-UHFFFAOYSA-N
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-rxn:5:193382:223064:226649,O=S(=O)(c1ccc(-c2ccc(C3CCNCC3)nc2F)cc1-c1cccnc1N1CCOCC1)N1CCOCC1,DNFUQCZVHRPHBF-UHFFFAOYSA-N
-rxn:5:193382:223134:225640,CC1CCCCN1c1cc(-c2cc(-c3cnccc3C3CCCNC3)ccc2S(=O)(=O)N2CCOCC2)ccn1,OJVJGRLKDCQQNO-UHFFFAOYSA-N
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-rxn:5:193382:223136:223008,O=S(=O)(c1ccc(-c2ccncc2C2CCCNC2)cc1-c1cc(C2CCNCC2)ccc1F)N1CCOCC1,GWGTVYQZKCJCPF-UHFFFAOYSA-N
-rxn:5:193382:223136:227438,O=S(=O)(c1ccc(-c2ccncc2C2CCCNC2)cc1-c1ccnc(C2CCOC2)c1)N1CCOCC1,TYFLOMKUKFSZEU-UHFFFAOYSA-N
-rxn:5:193382:223136:227656,O=S(=O)(c1ccc(-c2ccncc2C2CCCNC2)cc1-c1cc(N2CCOCC2)cs1)N1CCOCC1,DGVFOPJURINAAJ-UHFFFAOYSA-N
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-rxn:5:193382:223148:223008,O=S(=O)(c1ccc(-c2ccccc2C2CNCCO2)cc1-c1cc(C2CCNCC2)ccc1F)N1CCOCC1,XSBBUAJEQWFAMI-UHFFFAOYSA-N
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-rxn:5:193382:225657:225874,Cc1cc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3ccc(F)c(N4CCOCC4)c3)c2)ccc1N1CCOCC1,PIGPAHJWQKOION-UHFFFAOYSA-N
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-rxn:5:193382:225661:222960,Cc1cc(-c2cc(-c3ccc(N4CCOCC4)cc3C)ccc2S(=O)(=O)N2CCOCC2)cc(C2CCNCC2)c1,LVPWGPMSKFOATD-UHFFFAOYSA-N
-rxn:5:193382:225661:223064,Cc1cc(N2CCOCC2)ccc1-c1ccc(S(=O)(=O)N2CCOCC2)c(-c2ccc(C3CCNCC3)nc2F)c1,OBODRFKKYRLUSR-UHFFFAOYSA-N
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-rxn:5:193382:225683:225868,Cc1nc(C2CCCOC2)ccc1-c1ccc(S(=O)(=O)N2CCOCC2)c(-c2ccc(N3CCOCC3)c(F)c2)c1,BEVFSDNPBDSJAC-UHFFFAOYSA-N
-rxn:5:193382:225684:223141,Cc1nc(C2CCOCC2)ccc1-c1ccc(S(=O)(=O)N2CCOCC2)c(-c2cncc(C3CCNCC3)c2)c1,ZJYKMMLTQOUFFY-UHFFFAOYSA-N
-rxn:5:193382:225831:223136,Cc1cc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3ccncc3C3CCCNC3)c2)cnc1N1CCOCC1,VCUHLKZPGIPQIT-UHFFFAOYSA-N
-rxn:5:193382:225874:223241,O=S(=O)(c1ccc(-c2ccc(F)c(N3CCOCC3)c2)cc1-c1cncc(C2CCNC2)c1)N1CCOCC1,BGDYFUOOCRLTBE-UHFFFAOYSA-N
-rxn:5:193382:225874:225978,O=S(=O)(c1ccc(-c2ccc(F)c(N3CCOCC3)c2)cc1-c1ccc(N2CCOCC2)nc1F)N1CCOCC1,DGFXENWXSFQHST-UHFFFAOYSA-N
-rxn:5:193382:225880:226645,O=S(=O)(c1ccc(-c2cc(C3CCOCC3)ncc2F)cc1-c1ccnc(N2CCOCC2)c1)N1CCOCC1,YRHSHKMVPAFYSW-UHFFFAOYSA-N
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-rxn:5:193382:225925:223061,Cc1ccc(S(=O)(=O)N(C)C)cc1-c1ccc(S(=O)(=O)N2CCOCC2)c(-c2cc(C3CCNCC3)ncc2F)c1,GNYYAKHQZYNWQY-UHFFFAOYSA-N
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-rxn:5:193382:225976:223061,O=S(=O)(c1ccc(-c2ccnc(N3CCOCC3)c2F)cc1-c1cc(C2CCNCC2)ncc1F)N1CCOCC1,POAHWJJQCVLRGA-UHFFFAOYSA-N
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-rxn:5:193382:225978:222959,Cc1cc(-c2cc(-c3ccc(N4CCOCC4)nc3F)ccc2S(=O)(=O)N2CCOCC2)ccc1C1CCNCC1,QMFRWEDGWOZQND-UHFFFAOYSA-N
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-rxn:5:193382:225982:222959,Cc1cc(-c2cc(-c3cnc(N4CCOCC4)cc3F)ccc2S(=O)(=O)N2CCOCC2)ccc1C1CCNCC1,KGDLKTDQQSWWHR-UHFFFAOYSA-N
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-rxn:5:193382:226415:225636,CC1CCN(c2cc(-c3cc(-c4ccccc4N4CCOCC4)ccc3S(=O)(=O)N3CCOCC3)ccn2)CC1,ZDOYVQLIKWZKQV-UHFFFAOYSA-N
-rxn:5:193382:226446:223199,Cc1nc(C2CCOC2)ccc1-c1ccc(S(=O)(=O)N2CCOCC2)c(-c2cccc(C3CCNC3)c2)c1,MIXOMRKGOSIBCP-UHFFFAOYSA-N
-rxn:5:193382:226446:225874,Cc1nc(C2CCOC2)ccc1-c1ccc(S(=O)(=O)N2CCOCC2)c(-c2ccc(F)c(N3CCOCC3)c2)c1,AWUUGZCURCPDJJ-UHFFFAOYSA-N
-rxn:5:193382:226447:225926,O=S(=O)(c1ccc(-c2cc(-c3ccnc(C4CCOCC4)c3)ccc2S(=O)(=O)N2CCOCC2)cc1)N1CCC1,ZWGSSYNLYAXTPZ-UHFFFAOYSA-N
-rxn:5:193382:226643:227387,O=S(=O)(c1ccc(-c2ccc(N3CCOCC3)nc2)cc1-c1ccnc(N2CCCC2)c1)N1CCOCC1,MWHBAGFHGBAHLW-UHFFFAOYSA-N
-rxn:5:193382:226644:222958,Cc1ccc(-c2cc(-c3cncc(N4CCOCC4)c3)ccc2S(=O)(=O)N2CCOCC2)cc1C1CCNCC1,CQFKVTNITSYMQR-UHFFFAOYSA-N
-rxn:5:193382:226645:225684,Cc1nc(C2CCOCC2)ccc1-c1cc(-c2ccnc(N3CCOCC3)c2)ccc1S(=O)(=O)N1CCOCC1,JQEWLMVVFNSXHL-UHFFFAOYSA-N
-rxn:5:193382:226679:227379,O=S(=O)(c1ccc(-c2cnc(N3CCCC3)cc2F)cc1-c1cccnc1N1CCCC1)N1CCOCC1,GKNPGZMCLKXBLA-UHFFFAOYSA-N
-rxn:5:193382:227656:226411,O=S(=O)(c1ccc(-c2cc(N3CCOCC3)cs2)cc1-c1ccc(N2CCOCC2)cc1)N1CCOCC1,SMXRGDGDZVIPOL-UHFFFAOYSA-N
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-rxn:5:193464:225601:223216,N#CC1(c2ccc(-c3ccc(C4(C#N)CCCCC4)c(-c4ccc5c(c4)CCC(=O)N5)c3)c(F)c2)CCC1,OWNPGDMVYANPCE-UHFFFAOYSA-N
-rxn:5:193464:227301:226662,CN(C)Cc1cc(F)ccc1-c1ccc(C2(C#N)CCCCC2)c(-c2ccc(N3CCN(C)CC3)s2)c1,QECIOXSQMKTGKA-UHFFFAOYSA-N
-rxn:5:193465:226164:223010,C[C@H]1CCCN1C(=O)c1cccc(-c2ccc(C3(O)CCOCC3)cc2)c1-c1ccc(N2CCCCC2)cc1,INKUNHQUERUNAC-VWLOTQADSA-N
-rxn:5:193469:225449:225597,C[C@@H]1CCCN1C(=O)c1ccc(-c2cccc(OC3CCCCC3)c2)cc1-c1ccc(OC2CCCCC2)nc1,FVMUIUIWFFLCRP-RUZDIDTESA-N
-rxn:5:193506:226425:222980,CC1CCCCN1c1ccc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3ccc(CN4CCNCC4)cc3)c2)s1,NRVHWNOJUGVNIF-UHFFFAOYSA-N
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-rxn:5:193542:223148:226686,Cc1cnn(C2CCCCO2)c1-c1c(CN2CCCCC2)cccc1-c1ccccc1C1CNCCO1,FFBBPBGHDXGQLZ-UHFFFAOYSA-N
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-rxn:5:193748:228151:225588,COC(=O)c1cccc(-c2ccc(-c3ccccc3CN3CCSCC3)c(C(=O)N3CCCC(C)C3)c2)c1,DDJWJCQOXWYSIW-UHFFFAOYSA-N
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-rxn:5:193753:225591:225886,CC1CCCCN1C(=O)c1cc(-c2ccc3c(ccn3S(C)(=O)=O)c2)cc(-c2cc(CN3CCCC3)ccc2F)c1,PAGZCLKKQCBJGQ-UHFFFAOYSA-N
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-rxn:5:193755:228447:225453,CC1CCCN(C(=O)c2cccc(-c3cccc(C(F)F)c3F)c2-c2cccc(SC3CCCCC3)c2)C1,QVRPPPWBJCDVRL-UHFFFAOYSA-N
-rxn:5:193756:223136:227413,CC1CCCCN1C(=O)c1ccc(-c2ccncc2C2CCCNC2)cc1-c1cnc(C2CCC2)cc1F,RBBNOYJOTNLSRS-UHFFFAOYSA-N
-rxn:5:193756:225605:226324,Cc1cnc(OC2CCCC2)c(-c2ccc(C(=O)N3CCCCC3C)c(-c3cccnc3OC3CCCC3)c2)c1,HGBRZAVLWYGZPM-UHFFFAOYSA-N
-rxn:5:193756:225636:226324,CC1CCN(c2cc(-c3ccc(C(=O)N4CCCCC4C)c(-c4cccnc4OC4CCCC4)c3)ccn2)CC1,RFEXAFMTMAHPEL-UHFFFAOYSA-N
-rxn:5:193756:225640:225674,CC1CCCCN1C(=O)c1ccc(-c2ccnc(N3CCCCC3C)c2)cc1-c1cnc(C2CCCCC2)cc1F,JGSLPWUJBZMKIS-UHFFFAOYSA-N
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-rxn:5:193756:225653:226438,CC1CCCCN1C(=O)c1ccc(-c2ccc(N3CCCCC3C)nc2)cc1-c1cnc(C2CCCC2)cc1F,HMGDNCLQWPVSNJ-UHFFFAOYSA-N
-rxn:5:193756:225808:225671,CC1CCCCN1C(=O)c1ccc(-c2cc(OC3CCCC3)ncc2F)cc1-c1cc(C2CCCCC2)ncc1F,KMZNLQANSWCHGI-UHFFFAOYSA-N
-rxn:5:193756:225819:227387,CC1CCCCN1C(=O)c1ccc(-c2cc(C(F)(F)F)ccc2C2CC2)cc1-c1ccnc(N2CCCC2)c1,NLZLECVYPLMSAG-UHFFFAOYSA-N
-rxn:5:193756:225834:225656,CC1CCCCN1C(=O)c1ccc(-c2cc(N3CCCCC3)ncc2F)cc1-c1cncc(N2CCCCC2C)c1,UGHSVMFJHRRTPD-UHFFFAOYSA-N
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-rxn:5:193756:226177:225808,CC1CCCCN1C(=O)c1ccc(-c2ccnc(C3CCCCC3)c2)cc1-c1cc(OC2CCCC2)ncc1F,NGDPPMYEKMJGNX-UHFFFAOYSA-N
-rxn:5:193756:226338:225674,CC1CCCCN1C(=O)c1ccc(-c2ccnc(OC3CCCC3)c2)cc1-c1cnc(C2CCCCC2)cc1F,PCRMJQXDQZWQKE-UHFFFAOYSA-N
-rxn:5:193756:226338:227093,CC1CCCCN1C(=O)c1ccc(-c2ccnc(OC3CCCC3)c2)cc1-c1cccnc1C1CCCC1,OZXHVFKFNOPXBG-UHFFFAOYSA-N
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-rxn:5:193756:226664:226176,CC1CCCCN1C(=O)c1ccc(-c2cc(N3CCCC3)ncc2F)cc1-c1ccncc1C1CCCCC1,BYUJRNWEULXCKW-UHFFFAOYSA-N
-rxn:5:193756:226679:226744,CCc1cc(-c2cc(-c3cnc(N4CCCC4)cc3F)ccc2C(=O)N2CCCCC2C)cnc1C(F)(F)F,LUSQBQMLUQBYOA-UHFFFAOYSA-N
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-rxn:5:193756:226844:226679,CC1CCCCN1C(=O)c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1-c1cnc(N2CCCC2)cc1F,XLJUUSODTRIBJU-UHFFFAOYSA-N
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-rxn:5:193756:228236:225600,CC1CCCCN1C(=O)c1ccc(-c2ccnc(F)c2C2CC2)cc1-c1cccnc1OC1CCCCC1,QIBCOAFUTIFPCC-UHFFFAOYSA-N
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-rxn:5:193807:226583:227301,CC1CCN(Cc2cccc(-c3ccc(F)cc3CN(C)C)c2-c2ccc(CN3CCOCC3)s2)CC1,KWVIOVKJCLIJJA-UHFFFAOYSA-N
-rxn:5:193807:226662:226662,CC1CCN(Cc2cccc(-c3ccc(N4CCN(C)CC4)s3)c2-c2ccc(N3CCN(C)CC3)s2)CC1,LAXVQYNZIPXNNF-UHFFFAOYSA-N
-rxn:5:193807:226662:227301,CC1CCN(Cc2cccc(-c3ccc(F)cc3CN(C)C)c2-c2ccc(N3CCN(C)CC3)s2)CC1,YQBMSXJUIBWEPX-UHFFFAOYSA-N
-rxn:5:193807:227292:223063,CC1CCN(Cc2cccc(-c3cc(F)nc(C4CCNCC4)c3)c2-c2ccc(F)c(CN(C)C)c2)CC1,WBBIXIAMDGARPK-UHFFFAOYSA-N
-rxn:5:193807:227301:223006,CC1CCN(Cc2cccc(-c3ccc(F)c(C4CCNCC4)c3)c2-c2ccc(F)cc2CN(C)C)CC1,LQHKYYOYYGJRSD-UHFFFAOYSA-N
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-rxn:5:197876:227937:226412,CC(C)Sc1cccc(-c2cc3c(cc2-c2cc(F)cc(N4CCCC4)c2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,RMVJWZFWAZLUHK-UHFFFAOYSA-N
-rxn:5:197876:227978:226155,CC(=O)c1cc(-c2cc3c(cc2-c2cc(C(C)C)ccc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc(C2CC2)c1,NQADCUISUVDAPL-UHFFFAOYSA-N
-rxn:5:197876:228130:226058,CC(C)c1cccc(C(C)C)c1-c1cc2c(cc1-c1ccc(CC#N)cc1F)S(=O)(=O)N(C(C)(C)C)C2=O,SFNCXIURHFOSOV-UHFFFAOYSA-N
-rxn:5:197876:228243:226743,CCc1cc(-c2cc3c(cc2-c2cccc(C(C)=O)c2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc(C(F)(F)F)n1,KQQCVZIORSJWCT-UHFFFAOYSA-N
-rxn:5:197876:228282:226180,Cc1cc(-c2cc3c(cc2-c2ccccc2C(C)(F)F)S(=O)(=O)N(C(C)(C)C)C3=O)cc(C2CCCC2)n1,HJURACPYXNXPEZ-UHFFFAOYSA-N
-rxn:5:197876:228431:225395,CSc1c(F)cc(F)cc1-c1cc2c(cc1-c1cc(C3CC3)cc(C(C)(C)C)c1)C(=O)N(C(C)(C)C)S2(=O)=O,NZQXVKDRWHIDIW-UHFFFAOYSA-N
-rxn:5:197876:228431:226174,CSc1c(F)cc(F)cc1-c1cc2c(cc1-c1ccc(C3CCCCC3)nc1)C(=O)N(C(C)(C)C)S2(=O)=O,VAZKWWSPZSKLEH-UHFFFAOYSA-N
-rxn:5:197876:228445:226138,Cc1cc(C#N)cc(C2CC2)c1-c1cc2c(cc1-c1c(F)cccc1C(F)F)S(=O)(=O)N(C(C)(C)C)C2=O,MYTALKJYHFARLR-UHFFFAOYSA-N
-rxn:5:197876:228447:226059,CC(C)c1ccc(-c2cc3c(cc2-c2cccc(C(F)F)c2F)S(=O)(=O)N(C(C)(C)C)C3=O)c(C(C)C)c1,IYLSXYWCPGDPKI-UHFFFAOYSA-N
-rxn:5:197876:228502:227066,Cn1cc(C(F)(F)F)c(-c2cc3c(cc2-c2cccc(C(=O)C4CC4)c2)C(=O)N(C(C)(C)C)S3(=O)=O)n1,ZGTGNENRBPYHNP-UHFFFAOYSA-N
-rxn:5:197876:228606:225656,CCc1ccc(F)c(-c2cc3c(cc2-c2cncc(N4CCCCC4C)c2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,WELGETNAIOXURI-UHFFFAOYSA-N
-rxn:5:197876:228756:225811,CSc1ccc(-c2cc3c(cc2-c2ccc(C4(C(F)(F)F)CC4)cc2)C(=O)N(C(C)(C)C)S3(=O)=O)c(C)n1,VOWYIJIUTVQIHQ-UHFFFAOYSA-N
-rxn:5:197876:228798:225450,CSc1cc(-c2cc3c(cc2-c2ccc(C(=O)C4CCCC4)cc2)C(=O)N(C(C)(C)C)S3(=O)=O)ccc1F,IMSMIHCMPNMQOP-UHFFFAOYSA-N
-rxn:5:197876:228930:225395,CSc1c(-c2cc3c(cc2-c2cc(C4CC4)cc(C(C)(C)C)c2)C(=O)N(C(C)(C)C)S3(=O)=O)ccnc1F,SUIDHEZKQWXJMW-UHFFFAOYSA-N
-rxn:5:197876:229090:225819,CC(=O)c1cc(-c2cc3c(cc2-c2cc(C(F)(F)F)ccc2C2CC2)C(=O)N(C(C)(C)C)S3(=O)=O)cs1,LTUYZPXEAWXMKE-UHFFFAOYSA-N
-rxn:5:198558:223062:225832,Cc1nn(C2CCCCO2)c(C)c1C1=NS(=O)(=O)c2cc(-c3cnc(C4CCNCC4)cc3F)ccc21,QMCZYFUQOJQCRY-UHFFFAOYSA-N
-rxn:5:198558:225632:225832,Cc1nn(C2CCCCO2)c(C)c1C1=NS(=O)(=O)c2cc(-c3cccc(N4CCN(C)CC4)c3)ccc21,CCTLWYMZEXOTKG-UHFFFAOYSA-N
-rxn:5:198558:225640:225832,Cc1nn(C2CCCCO2)c(C)c1C1=NS(=O)(=O)c2cc(-c3ccnc(N4CCCCC4C)c3)ccc21,QTZSBBQKDINXEW-UHFFFAOYSA-N
-rxn:5:198558:225653:225832,Cc1nn(C2CCCCO2)c(C)c1C1=NS(=O)(=O)c2cc(-c3ccc(N4CCCCC4C)nc3)ccc21,ATWNKCIODJIPKE-UHFFFAOYSA-N
-rxn:5:198558:225832:226686,Cc1cnn(C2CCCCO2)c1C1=NS(=O)(=O)c2cc(-c3c(C)nn(C4CCCCO4)c3C)ccc21,FXCFAUWRVQWNCL-UHFFFAOYSA-N
-rxn:5:198558:226428:225832,Cc1nn(C2CCCCO2)c(C)c1C1=NS(=O)(=O)c2cc(-c3cc(N4CCCCC4C)cs3)ccc21,QUAFOBOXDXKWCL-UHFFFAOYSA-N
-rxn:5:198559:223063:225832,Cc1nn(C2CCCCO2)c(C)c1C1=NS(=O)(=O)c2ccc(-c3cc(F)nc(C4CCNCC4)c3)cc21,DRFSOAKOWCMTEI-UHFFFAOYSA-N
-rxn:5:198559:225466:225832,Cc1nn(C2CCCCO2)c(C)c1C1=NS(=O)(=O)c2ccc(-c3ccc(N4CCCCC4C)cc3)cc21,RZAZEJDMKVIQRJ-UHFFFAOYSA-N
-rxn:5:198559:225470:225832,Cc1nn(C2CCCCO2)c(C)c1C1=NS(=O)(=O)c2ccc(-c3ccc(N4CCC(C)CC4)cc3)cc21,ZVLFEMHMLHVTQW-UHFFFAOYSA-N
-rxn:5:198559:225600:225832,Cc1nn(C2CCCCO2)c(C)c1C1=NS(=O)(=O)c2ccc(-c3cccnc3OC3CCCCC3)cc21,WWHBGRDDZKBKJZ-UHFFFAOYSA-N
-rxn:5:198559:225632:225832,Cc1nn(C2CCCCO2)c(C)c1C1=NS(=O)(=O)c2ccc(-c3cccc(N4CCN(C)CC4)c3)cc21,LVQIDIXTCUVZBM-UHFFFAOYSA-N
-rxn:5:198559:225640:225832,Cc1nn(C2CCCCO2)c(C)c1C1=NS(=O)(=O)c2ccc(-c3ccnc(N4CCCCC4C)c3)cc21,KUIYSDVIBWBBMN-UHFFFAOYSA-N
-rxn:5:198559:225653:225832,Cc1nn(C2CCCCO2)c(C)c1C1=NS(=O)(=O)c2ccc(-c3ccc(N4CCCCC4C)nc3)cc21,OHVPNUQUCZWGKR-UHFFFAOYSA-N
-rxn:5:198559:225832:222988,Cc1cc(C2=NS(=O)(=O)c3ccc(-c4c(C)nn(C5CCCCO5)c4C)cc32)cc(C2CCNCC2)n1,ZYOXLUSFDXNLMS-UHFFFAOYSA-N
-rxn:5:198559:225832:225832,Cc1nn(C2CCCCO2)c(C)c1C1=NS(=O)(=O)c2ccc(-c3c(C)nn(C4CCCCO4)c3C)cc21,XTQZKIQITOMBNC-UHFFFAOYSA-N
-rxn:5:198559:225832:226662,Cc1nn(C2CCCCO2)c(C)c1-c1ccc2c(c1)C(c1ccc(N3CCN(C)CC3)s1)=NS2(=O)=O,DVBFIYLWAZAIDC-UHFFFAOYSA-N
-rxn:5:198559:225832:226686,Cc1cnn(C2CCCCO2)c1C1=NS(=O)(=O)c2ccc(-c3c(C)nn(C4CCCCO4)c3C)cc21,VYMCAYANXVRDNT-UHFFFAOYSA-N
-rxn:5:198559:226425:225832,Cc1nn(C2CCCCO2)c(C)c1C1=NS(=O)(=O)c2ccc(-c3ccc(N4CCCCC4C)s3)cc21,PBJRBXGLAKTNAZ-UHFFFAOYSA-N
-rxn:5:198559:226426:225832,Cc1nn(C2CCCCO2)c(C)c1C1=NS(=O)(=O)c2ccc(-c3ccc(N4CCC(C)CC4)s3)cc21,XNFDGSMDDBWYPB-UHFFFAOYSA-N
-rxn:5:198559:226583:225832,Cc1nn(C2CCCCO2)c(C)c1C1=NS(=O)(=O)c2ccc(-c3ccc(CN4CCOCC4)s3)cc21,WBMWRMGKMYGXDA-UHFFFAOYSA-N
-rxn:5:227045:190131:227355,CCOc1ccc(C)c(F)c1-c1cc(C(=O)N2CCCCC2)cc(-c2cccc(SC(C)(C)C)c2)c1OC,JJJPHLVPATZOKQ-UHFFFAOYSA-N
-rxn:4:173399:224129,CCOC(OCC)C(=O)c1ccc(-c2cccc(C(=O)N(C)C3CCCCC3)c2)c(F)c1,PMJHGDGTJSLMTL-UHFFFAOYSA-N
-rxn:4:173435:222522,COC(=O)c1cc(OC)c(-c2ccc(OC)c(S(=O)(=O)N3CCC(O)CC3)c2)c(OCC2CC2)c1,YLTAOXIMLMNXHI-UHFFFAOYSA-N
-rxn:4:173658:223568,COc1cc(C(=O)Oc2ccc3ccccc3c2-c2cnc3c(ccn3[Si](C(C)C)(C(C)C)C(C)C)c2Cl)cc(OC)c1OC,QEMPKUNMWOLOLY-UHFFFAOYSA-N
-rxn:4:173704:225775,COC(=O)c1cc(-c2ccc(O[Si](C(C)C)(C(C)C)C(C)C)c3c(OC)cccc23)cc(OC)c1C,ODMLANZWJOZVGL-UHFFFAOYSA-N
-rxn:4:173787:223840,COC(=O)c1cc(F)c(OCC(F)F)cc1-c1ccc(OC)c(S(=O)(=O)N2CCN(C)CC2)c1,VMQAPKGCQYXBFS-UHFFFAOYSA-N
-rxn:4:173789:223832,COC(=O)c1ccc(OCC(F)(F)F)c(-c2cc(S(=O)(=O)N3CCC(C)CC3)ccc2OC)c1,ONMCLTPDRDBBAD-UHFFFAOYSA-N
-rxn:4:173802:225366,CC(F)(F)c1ccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)c(C(F)(F)F)c1,OZFICJUKKGVEPZ-UHFFFAOYSA-N
-rxn:4:173809:226563,COC(=O)Cc1ccc(-c2cc(C(F)(F)F)ccc2OC(C(F)(F)F)C(F)(F)F)cc1F,VEUULBLRCVQARL-UHFFFAOYSA-N
-rxn:4:174004:222589,CCOC(=O)c1cc(OCC)c(F)cc1-c1ccc(OCCN2CCC(O)CC2)c(Cl)c1,VAVNREKNQKJPKG-UHFFFAOYSA-N
-rxn:4:174006:223679,CCOC(=O)c1c(F)ccc(OCC)c1-c1cc(C)c(S(=O)(=O)N2CCN(CC)CC2)c(C)c1,WUAUPCZKOMHIOK-UHFFFAOYSA-N
-rxn:4:174015:224594,CC(=O)N1CCCCC1c1ccccc1-c1ccc(OCC(=O)C2CC2)c(C(F)(F)F)c1,ZHWJWMDJPUUYMM-UHFFFAOYSA-N
-rxn:4:174237:223534,COC(=O)c1ccc(OCc2cccc(F)c2)c(-c2cc(OC3CCN(C(=O)OC(C)(C)C)CC3)ncc2F)c1,HVDWEZZGXAAKAB-UHFFFAOYSA-N
-rxn:4:174427:223569,CCS(=O)(=O)Cc1ccc(C(=O)c2ccc(F)cc2Cl)c(-c2cnc3c(ccn3[Si](C(C)C)(C(C)C)C(C)C)c2F)c1,NTIHGLPXJRBLHT-UHFFFAOYSA-N
-rxn:4:174428:224566,COC(=O)C1(c2ccc(-c3ccc(SC(C)(C)C(=O)OC(C)(C)C)cc3)cc2)CCCC1,DZVMQHMGMAHNJD-UHFFFAOYSA-N
-rxn:4:174433:224488,CC(C)Oc1ccc(-c2ccc(C(=O)N(C(C)C)C(C)C)cc2)c(C(=O)OC(C)(C)C)c1,RNOQOGLILSGOKH-UHFFFAOYSA-N
-rxn:4:174729:222588,COC(=O)c1cc(-c2ccc(OCCN3CCC(O)CC3)c(F)c2)ccc1OC(F)(F)F,UOEZXESSROKHQK-UHFFFAOYSA-N
-rxn:4:175005:223689,CCOc1ccc(C(=O)OC)cc1-c1ccc(OC)c(S(=O)(=O)N2CCN(CC)CC2)c1,KMLHEYMRAFMEPY-UHFFFAOYSA-N
-rxn:4:175063:223845,CCOc1cc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCN(C)CC2)c(C(=O)OC)cc1F,XIXIQSAUJMRGGA-UHFFFAOYSA-N
-rxn:4:175269:223568,COC(=O)c1ccc(-c2cnc3c(ccn3[Si](C(C)C)(C(C)C)C(C)C)c2Cl)c(CS(C)(=O)=O)c1,HYYIEKNGIBGPTI-UHFFFAOYSA-N
-rxn:4:175414:223569,CCOC(=O)C1OC1(C)c1ccc(-c2cnc3c(ccn3[Si](C(C)C)(C(C)C)C(C)C)c2F)cc1,MXKXDUAHBXXMCJ-UHFFFAOYSA-N
-rxn:4:175661:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)cc(C(=O)OC(C)(C)C)c2F)cc1,KXWRHKRVURWLMW-UHFFFAOYSA-N
-rxn:4:175691:223787,CN1CCN(CCCOc2ccc(-c3ccc(C(=O)c4cc(C(F)(F)F)cc(C(F)(F)F)c4)cc3)cc2F)CC1,TUWVFCRXOGCLGH-UHFFFAOYSA-N
-rxn:4:175862:223687,CC[Si](CC)(CC)c1c(F)ccc(-c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2)c1F,ATLKUIUYMMHTKS-UHFFFAOYSA-N
-rxn:4:175872:223813,COc1ccc(-c2ccc(CN3CCC4(CC3)OCCO4)c(F)c2)cc1COC1CCCC1,GSPRTVLMHYMJII-UHFFFAOYSA-N
-rxn:4:175876:223557,COC(=O)[C@@H]1CCC[C@H]1C(=O)c1ccc(-c2c(F)ccc3c2ccn3[Si](C(C)C)(C(C)C)C(C)C)cc1,DHGOLFXNISNOTA-JWQCQUIFSA-N
-rxn:4:175933:224082,CCC(C(=O)OC(C)(C)C)c1cccc(-c2ccc(C3(C(=O)OC(C)(C)C)CC3)cc2)c1,AQCQBWLWCDZRQQ-UHFFFAOYSA-N
-rxn:4:176168:223937,CC(C)[Si](c1c(F)cc(-c2cc3cccc(Cl)c3n2C(=O)OC(C)(C)C)cc1F)(C(C)C)C(C)C,YRVGBWHGSGGIPH-UHFFFAOYSA-N
-rxn:4:176322:228149,CCC1(CC)CC(C)(C)c2c1cc1c(c2-c2ccccc2C(=O)OC)C(C)(C)CC1(CC)CC,COFVVAPTFRCRPZ-UHFFFAOYSA-N
-rxn:4:176350:223637,CC(C)(C)OC(=O)N1CCCC(c2ccccc2-c2cc(OC(F)F)cc(S(=O)[O-])c2)C1,RJXVTTSFYNHICI-UHFFFAOYSA-M
-rxn:4:176363:223491,CC(C)(C)OC(=O)N1CCN(c2cc(-c3ccc(OCC(F)F)cc3)cc(C(F)(F)F)c2)CC1,IMCVNVPUBRKWKS-UHFFFAOYSA-N
-rxn:4:176426:223841,Cc1cc(F)c(-c2cc(OC(F)F)ccc2C(F)(F)F)cc1S(=O)(=O)N1CCN(C)CC1,LHHFPIISDVWKPA-UHFFFAOYSA-N
-rxn:4:176715:223888,COC(=O)c1cc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CCC3)c(C(F)(F)F)cc1Cl,ZQOUEEKTTWXENJ-UHFFFAOYSA-N
-rxn:4:178121:222546,Fc1cc(-c2c(Cl)cccc2OCC2CCOCC2)ccc1OCCNC1CCCCC1,KKGHRPJXGROKAK-UHFFFAOYSA-N
-rxn:4:178217:223559,COc1cc(C(C)(C)C)cc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)c1OC,FRJWQOOMIPNNMT-UHFFFAOYSA-N
-rxn:4:178384:225768,COc1cc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)cc(Cl)c1OC(C)C,ATGHFDSEPZRZGD-UHFFFAOYSA-N
-rxn:4:178384:225979,Clc1cc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)cnc1N1CCOCC1,QFRFWLZZLUGNBX-UHFFFAOYSA-N
-rxn:4:178384:227335,CC(C)Oc1cc(Cl)ccc1-c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1,IJDRDXQMKMPWHR-UHFFFAOYSA-N
-rxn:4:178518:223873,COC(=O)C12CCC(c3cccc(-c4ccccc4CCC(=O)N4CCC(C)CC4)c3)(C1)C2,SCZWLBQCPDLMNR-UHFFFAOYSA-N
-rxn:4:178597:225210,Cc1nc(N2CCC(C)CC2)ncc1-c1ccc(OC(=O)C2OC3OC(C)(C)OC3C3OC(C)(C)OC23)cc1,SCKOEQZTIUFTFP-UHFFFAOYSA-N
-rxn:4:178597:225790,CCc1nc(-c2cccc(-c3ccc(OC(=O)C4OC5OC(C)(C)OC5C5OC(C)(C)OC45)cc3)c2)no1,FJQGMEFCEOSBPQ-UHFFFAOYSA-N
-rxn:4:178597:228199,Cc1nn(C2CCC2)cc1-c1ccc(OC(=O)C2OC3OC(C)(C)OC3C3OC(C)(C)OC23)cc1,RUEDWUZMSJIKMG-UHFFFAOYSA-N
-rxn:4:178694:223532,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)cc(-c3cc(Cl)c(OC(F)(F)F)cc3F)c2)CC1,NOVWAHFAGIBNOK-UHFFFAOYSA-N
-rxn:4:178931:223693,COC(=O)c1cc(-c2cc(O[Si](C)(C)C(C)(C)C)cc(C(F)(F)F)c2F)c(F)c(F)c1F,IAYLKARMAFIOIQ-UHFFFAOYSA-N
-rxn:4:180040:223481,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3ccc(F)c(Cc4ccc(Cl)cc4)c3)c(F)c2)CC1,VEWUZQQXUJHONA-UHFFFAOYSA-N
-rxn:4:180165:223885,CC(C)(C)OC(=O)N1CCc2ccc(-c3ccc(C4CCOC4)c(C(F)(F)F)c3)cc2C1,HAJYLUUVMFSRFO-UHFFFAOYSA-N
-rxn:4:180792:224885,CCOC1CCC2(CC1)Cc1ccc(-c3ccccc3CN3CCC(C)CC3)cc1C2=O,SXVNNBQIAPKEKB-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:4:182322:223599,CSc1sc(-c2cc3cc(C(F)(F)F)ccc3n2C(=O)OC(C)(C)C)c2c1C(=O)CC(C)(C)C2,WSKAFUFXQRKTKA-UHFFFAOYSA-N
-rxn:4:182374:223652,COc1ccc(Cl)c2cc(-c3cc4c(cc3C(C)=O)C(C)(C)CCC4(C)C)n(C(=O)OC(C)(C)C)c12,UQOGPIZPCJWKDS-UHFFFAOYSA-N
-rxn:4:183273:227961,Cc1nc(C2CC2)ccc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,YTWZXVMMDSKJAX-UHFFFAOYSA-N
-rxn:4:183274:228826,Cc1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCOCCO3)c(F)cc1F,AOADTEOFWNNHNW-UHFFFAOYSA-N
-rxn:4:183363:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3c4c(cc5c3CC(C)C5=O)CCC4)c(F)c2)CC1,AMOYUSYSQOJLAP-XPUGBJAQSA-N
-rxn:4:183591:223499,CCOC(=O)C(C)Oc1ccc(-c2ccc(Cl)c(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1[N+](=O)[O-],GLCWGTSWUNXFHH-UHFFFAOYSA-N
-rxn:4:183642:223530,CN(C(=O)COC(=O)c1ccc(-c2cc(F)ccc2CN2CCN(C(=O)OC(C)(C)C)CC2)o1)c1ccccc1,GMLYQOCMXPKGLB-UHFFFAOYSA-N
-rxn:4:183730:223534,CC(C)(C)OC(=O)N1CCC(Oc2cc(-c3ccc(OC(F)(F)F)cc3OCC(=O)N3CCOCC3)c(F)cn2)CC1,TVCWWIVJAXAZLU-UHFFFAOYSA-N
-rxn:4:183730:226438,O=C(COc1cc(OC(F)(F)F)ccc1-c1cnc(C2CCCC2)cc1F)N1CCOCC1,YXPGVLJQARVBLS-UHFFFAOYSA-N
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-rxn:4:183808:227476,CCOC(=O)c1ccc(-c2ccc(OC(F)(F)F)cc2OCCN2CCC(F)(F)CC2)cn1,KCYKIFDRMLMZMU-UHFFFAOYSA-N
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-rxn:4:183962:224274,Cc1cc(OCC2CN(C(=O)OC(C)(C)C)C2)cc(-c2cc3cnccc3n2C(=O)OC(C)(C)C)c1,MBRGULNDYHWPEA-UHFFFAOYSA-N
-rxn:4:183963:226421,Cc1cccc(OCC2CN(C(=O)OC(C)(C)C)C2)c1-c1ccc(Cl)cc1N1CCCC1,CEDPGANDKANZCZ-UHFFFAOYSA-N
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-rxn:4:184903:223811,Clc1cc(-c2ccc(OCCCN3CCCC3)c(Cl)c2)ccc1CN1CCC2(CC1)OCCO2,JNVCREQROAZDSV-UHFFFAOYSA-N
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-rxn:4:184964:222904,CN(C(=O)OC(C)(C)C)c1cc(-c2ccc(NC(=O)OC(C)(C)C)nc2)cc(C(F)(F)F)c1,OQLJQLULGBXVMH-UHFFFAOYSA-N
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-rxn:4:185111:225754,COC(=O)c1cc(-c2cc(F)ccc2CC(=O)N2CCC(C(=O)OC)CC2)c(C2CC2)cn1,ZOYOKVDAOZQXEY-UHFFFAOYSA-N
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-rxn:4:185145:222997,CCOC(=O)C1CCCN(S(=O)(=O)c2ccc(-c3ccc(Cl)cc3C3CCCNC3)cc2)C1,DFLUMRKJKWNGRO-UHFFFAOYSA-N
-rxn:4:185145:225875,CCOC(=O)C1CCCN(S(=O)(=O)c2ccc(-c3ccc(N4CCOCC4)cc3Cl)cc2)C1,FZDKWJPSTIOBDS-UHFFFAOYSA-N
-rxn:4:185155:223835,COC(=O)c1ccc(-c2cc(S(=O)(=O)N3CCC(C)CC3)c(C)cc2F)cc1CN1CCC(C(F)(F)F)CC1,KDIAMGQKKYKAAX-UHFFFAOYSA-N
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-rxn:4:185161:226481,COc1ccc(-c2cc(C(F)(F)F)ccc2C2CN(C(=O)OC(C)(C)C)C2)cc1OCC#N,LGAPLWJILRPPPM-UHFFFAOYSA-N
-rxn:4:185199:225769,COC(=O)c1cc(CN2CCC(OC)CC2)cc(-c2cc(OCC3CC3)c(F)cc2F)c1,MUCXHPIVOPUHKE-UHFFFAOYSA-N
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-rxn:4:185259:223099,CC(C)c1ccc(OCC(=O)N2CCCCC2)c(-c2cccc(NC(=O)C(F)(F)F)c2)c1,TYNDDWIDFPXSKN-UHFFFAOYSA-N
-rxn:4:185259:225571,COC(=O)c1ccc(-c2cc(C(C)C)ccc2OCC(=O)N2CCCCC2)c(C2CC2)c1,MAIVGHRWOBEODD-UHFFFAOYSA-N
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-rxn:4:185303:222981,CCOc1ccc(-c2ccnc(NC3CCCCC3)c2)cc1S(=O)(=O)N(C)C1CCCCC1,LJSSOBUXVFNTEF-UHFFFAOYSA-N
-rxn:4:185303:223005,CCOc1ccc(-c2ccc(C3CCNCC3)c(Cl)c2)cc1S(=O)(=O)N(C)C1CCCCC1,QRASAGNDLFSZGI-UHFFFAOYSA-N
-rxn:4:185306:222981,CCOc1cc(S(=O)(=O)N(C)C2CCCCC2)ccc1-c1ccnc(NC2CCCCC2)c1,ZVJDBFQHUPVCTG-UHFFFAOYSA-N
-rxn:4:185306:223005,CCOc1cc(S(=O)(=O)N(C)C2CCCCC2)ccc1-c1ccc(C2CCNCC2)c(Cl)c1,XNVHMVFAUSGCHS-UHFFFAOYSA-N
-rxn:4:185306:223007,CCOc1cc(S(=O)(=O)N(C)C2CCCCC2)ccc1-c1cc(F)cc(C2CCNCC2)c1,LBRLJRLMSYOTDH-UHFFFAOYSA-N
-rxn:4:185307:223006,CCCOc1cc(S(=O)(=O)N2CCCC(C)C2)ccc1-c1ccc(F)c(C2CCNCC2)c1,IOPRLZQKEPSLLX-UHFFFAOYSA-N
-rxn:4:185309:223637,CC(C)(C)OC(=O)N1CCC(Oc2cccc(-c3ccccc3C3CCCN(C(=O)OC(C)(C)C)C3)c2)CC1,UOPLFWHIFJRBIT-UHFFFAOYSA-N
-rxn:4:185309:225233,CC1CCCN(c2cc(-c3cccc(OC4CCN(C(=O)OC(C)(C)C)CC4)c3)cnc2Cl)C1,PUHALMIXJQTQCE-UHFFFAOYSA-N
-rxn:4:185309:225901,Cc1nn(C(=O)OC(C)(C)C)cc1-c1cccc(OC2CCN(C(=O)OC(C)(C)C)CC2)c1,MNRQDRDEOWTXDH-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:4:185317:225294,CCN1CCN(c2ncc(-c3cc(C4CN(C(=O)OC(C)(C)C)C4)ccc3C3CC3)cn2)CC1,CBBPPHAZACWYEZ-UHFFFAOYSA-N
-rxn:4:185319:224076,CC(C)(C)OC(=O)N1CC(c2ccc(-c3ccc4c(ccn4[Si](C)(C)C(C)(C)C)c3)cc2C2CC2)C1,OQFLWPLFRAGYOT-UHFFFAOYSA-N
-rxn:4:185343:224188,COc1cc(C=C2SC(=S)N(c3cccc(-c4ccc(C(=O)N(C(C)C)C(C)C)cc4Cl)c3)C2=O)cc(OC)c1OC,IUDHIGDPWZIXKQ-UHFFFAOYSA-N
-rxn:4:185353:223103,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc(CC(=O)N3CCC(S(=O)(=O)C(C)(C)C)C3)cc2)s1,AYZXPFGQOBQKGN-UHFFFAOYSA-N
-rxn:4:185355:223659,CC(C)(C)OC(=O)N1CCC(Cn2cc(-c3cccc(C(=O)C4CCN(C(=O)OC(C)(C)C)CC4)c3)cn2)CC1,ZOJGLHXAMWSYBD-UHFFFAOYSA-N
-rxn:4:185367:223762,COC(=O)c1c(-c2cc(C(C)C)ccc2OCC(=O)N2CCC(C)CC2)c(C)n(Cc2ccccc2)c1C,BPIPUYGGIXNHIN-UHFFFAOYSA-N
-rxn:4:185382:223106,CC(C)(C)OC(=O)N1CCC(c2cc(-c3cnc(N4CCC(O)C4)nc3Cl)ccc2C(F)(F)F)CC1,QDUBWNWWXCDLJG-UHFFFAOYSA-N
-rxn:4:185384:225996,CCOc1ncc(C(F)(F)F)cc1-c1ccc(C(F)(F)F)cc1C1CCCN(C(=O)OC(C)(C)C)C1,COCRIKOWNWBDAH-UHFFFAOYSA-N
-rxn:4:185385:223685,CC(C)(C)OC(=O)N1CCC(c2ccc(C(F)(F)F)c(-c3ccc(OC(F)(F)F)c(OCc4cccnc4)c3)c2)CC1,SBPGYTYZAIFCOB-UHFFFAOYSA-N
-rxn:4:185390:224842,Cc1ccccc1C(=O)N(Cc1cccc(-c2ccc3c(c2)C(C)(C)CCC3(C)C)c1)C1CCS(=O)(=O)C1,ZROQYNXNSDTMTK-UHFFFAOYSA-N
-rxn:4:185402:224619,CCCOc1ccc(-c2ccc(OCCN3CCCC3)c(F)c2)cc1S(=O)(=O)N1CC(C)CC(C)C1,PLOXFZPSUSTADV-UHFFFAOYSA-N
-rxn:4:185407:222792,COc1ccc(C2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1cc(NC(=O)OC(C)(C)C)ccc1F,QAEXUIXENGGQQQ-UHFFFAOYSA-N
-rxn:4:185408:224161,CC(C)(C)OC(=O)N1Cc2ccc(-c3ccc(C4CC4)c(C4CCN(C(=O)OC(C)(C)C)C4)c3)cc2C1,GPWQUXFIFKFUJV-UHFFFAOYSA-N
-rxn:4:185425:224285,COc1ccc(-c2ccc(OCCN3CCOCC3)cc2F)cc1S(=O)(=O)N1CCC(Cc2ccccc2)CC1,LSETVDVXZRFUGK-UHFFFAOYSA-N
-rxn:4:185428:225738,CCCCOc1cc(F)c(-c2cc(C(C)(C)C)ccc2OCC(=O)N2CCC(C)CC2)cc1F,CGPFWQSJEUUKET-UHFFFAOYSA-N
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-rxn:4:185453:223738,CC(C)(C)[Si](C)(C)Oc1ccc2cc(-c3cccc4c3cc(OS(=O)(=O)C(F)(F)F)n4CC(F)(F)F)ccc2c1,RKVYJXIDXPVSKL-UHFFFAOYSA-N
-rxn:4:185483:223998,CC1CCN(S(=O)(=O)c2ccc(-c3ccc(F)c(OCCCN4C(=O)c5ccccc5C4=O)c3)cc2F)CC1,USUDRMKMPMYKRH-UHFFFAOYSA-N
-rxn:4:185509:223952,COC(=O)c1cc2c(cc1-c1ccc(OCCN3CCN(C)CC3)c(Cl)c1)CCN2C(=O)OC(C)(C)C,BGUJZUSKJJDTCL-UHFFFAOYSA-N
-rxn:4:185509:224170,COC(=O)c1cc2c(cc1-c1ccc(OCCCN3CCCC3)c(Cl)c1)CCN2C(=O)OC(C)(C)C,PQDWQLXGQPDTGH-UHFFFAOYSA-N
-rxn:4:185509:225087,COC(=O)c1cc2c(cc1-c1ccc(OCCCN(C)C)c(F)c1)CCN2C(=O)OC(C)(C)C,IZXAUDZMNGBMGJ-UHFFFAOYSA-N
-rxn:4:185516:223499,Cc1cccc2c1N(CCCOc1ccc(-c3ccc(Cl)c(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c3)cc1)C(=O)C2=O,HROVEUXRPRUVPT-UHFFFAOYSA-N
-rxn:4:185557:223880,Cc1ccc2c(c1)cc(-c1cc(F)c(OC(C)(C)C)c3ccn(C(=O)OC(C)(C)C)c13)n2C(=O)OC(C)(C)C,MSCNMSYFNWECAZ-UHFFFAOYSA-N
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-rxn:4:185626:226032,COc1cc(-c2cc(F)cc3c2C[C@](c2ccccc2)([C@@H]2CCCN2C(=O)OC(C)(C)C)O3)c(F)c(C(F)(F)F)c1,OHCJHHHOLCXCHM-YZNIXAGQSA-N
-rxn:4:185812:222439,COC(=O)Cc1c(C#N)cc(F)cc1-c1ccc(S(=O)(=O)NC2CCCCC2)cc1C(F)(F)F,GWPWCFLQFQXVHX-UHFFFAOYSA-N
-rxn:4:185888:223947,CCN(C(=O)OC(C)(C)C)c1ccc(-c2c(C#N)ccc(C(=O)OC)c2C(F)F)c(F)c1,SJHRVYJMVQIVDP-UHFFFAOYSA-N
-rxn:4:185889:223947,CCN(C(=O)OC(C)(C)C)c1ccc(-c2ccc(C#N)c(C(=O)OC)c2C(F)F)c(F)c1,VZGVQZPPOBAOJK-UHFFFAOYSA-N
-rxn:4:185983:222426,CCOC(=O)C(F)(F)c1ccc(-c2ccc3c(c2)C2(CCN(C(=O)OC(C)(C)C)CC2)C(=O)N3)cn1,RZSYLEYUKZTTCU-UHFFFAOYSA-N
-rxn:4:186155:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cc([N+](=O)[O-])ccc3OCC3CC3)ccn2)CC1,FSZMKDIBXNNDEU-UHFFFAOYSA-N
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-rxn:4:203624:223884,COC(=O)c1c(-c2ccc3c(c2)CCN(C(=O)OC(C)(C)C)C3)c(C(C)(C)C)nn1C,PAAOZRJMVSNPLH-UHFFFAOYSA-N
-rxn:4:203639:224405,O=S(=O)(NN1CCSCC1)c1ccc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCCC2)cc1,VMCYOGCSHMSFAL-UHFFFAOYSA-N
-rxn:4:203703:222946,O=C(c1ncc(-c2cnc(N3CCCCC3O)nc2Cl)cc1Cl)N1CCC(C(F)(F)F)CC1,GCCJLRIFSIDIHM-UHFFFAOYSA-N
-rxn:4:203703:222983,O=C(c1ncc(-c2cccc(CN3CCC(O)C3)c2)cc1Cl)N1CCC(C(F)(F)F)CC1,HNDZGMHAHDKAGI-UHFFFAOYSA-N
-rxn:4:203775:224376,COC1CCN(S(=O)(=O)c2cncc(-c3cccc(S(=O)(=O)N4CCN(C)CC4)c3)c2)CC1,LEFNFAPNFDGNTB-UHFFFAOYSA-N
-rxn:4:203878:222546,CC1CCN(Cc2cc([N+](=O)[O-])ccc2-c2ccc(OCCNC3CCCCC3)c(F)c2)CC1,MDUXDUMDQJWGIT-UHFFFAOYSA-N
-rxn:4:203889:223845,COC(=O)c1ccc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCN(C)CC2)cc1N1CCN(C)CC1,GVAOXWDZOLYDKR-UHFFFAOYSA-N
-rxn:4:203932:224251,COc1cc(N2CCC(C)CC2)c(-c2ccc(C(=O)N3CCCC(C)C3)cc2F)cc1[N+](=O)[O-],NVVAJSPULCOZTO-UHFFFAOYSA-N
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-rxn:4:204179:223992,Cc1ccc(N2CCN(S(=O)(=O)c3cc(C)c(-c4ccc(C)c(S(=O)(=O)N5CCN(C)CC5)c4)cc3C)CC2)cc1C,JKGGGACAHCSJOC-UHFFFAOYSA-N
-rxn:4:204180:222985,Cc1ccc(N2CCN(S(=O)(=O)c3cc(-c4ccc(C5CCCNC5)nc4C)c(C)cc3C)CC2)c(C)c1,HRIDPKFMTGQGGN-UHFFFAOYSA-N
-rxn:4:204184:224322,Cc1cc(C)c(S(=O)(=O)N2CCN(c3cccc(Cl)c3C)CC2)c(C)c1-c1ccc(S(=O)(=O)N2CCC(C)CC2)cc1,ASGWJIJDARYVJF-UHFFFAOYSA-N
-rxn:4:204186:223985,COc1ccc(-c2c(C)cc(C)c(S(=O)(=O)N3CCN(c4cccc(C)c4C)CC3)c2C)cc1S(=O)(=O)N1CCCCC1,VAXZLUCYVFTXQW-UHFFFAOYSA-N
-rxn:4:204510:223507,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccccc2-c2ccc3c(n2)CN(C(=O)OC(C)(C)C)C3)CC1,PGFNUEDFORWMCL-UHFFFAOYSA-N
-rxn:4:204511:223502,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3ccc4c(n3)CCN4C(=O)OC(C)(C)C)cc2F)CC1,SMXMPQJKBIGKHU-UHFFFAOYSA-N
-rxn:4:204514:222636,C[C@@H](NC(=O)OC(C)(C)C)c1ccc(-c2cnc3c(c2)CN(C(=O)OC(C)(C)C)C3)cc1,DAKVBXNTPZFVMR-MRXNPFEDSA-N
-rxn:4:204558:223899,COc1cc(C(=O)N(C(C)C)C(C)C)ccc1-c1cc(Cl)cc2c1c(C)nn2C(=O)OC(C)(C)C,DTPHIPDDELPJBJ-UHFFFAOYSA-N
-rxn:4:204601:224371,COC(=O)C1CCN(c2ncc(-c3cnc4c(c3)CN(C(=O)OC(C)(C)C)CC4)cn2)CC1,AAPDGNXAVBAQFS-UHFFFAOYSA-N
-rxn:4:204605:222792,CC1CN(C(=O)OC(C)(C)C)c2ncc(-c3cc(NC(=O)OC(C)(C)C)ccc3F)cc21,RQICIKFCGKQVIH-UHFFFAOYSA-N
-rxn:4:204606:223534,CC(C)(C)OC(=O)N1CCC(Oc2cc(-c3cc4c(nc3Cl)CN(C(=O)OC(C)(C)C)CC4)c(F)cn2)CC1,WVNJDRKZXSGCJH-UHFFFAOYSA-N
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-rxn:4:204866:223568,CC1CCN(C(=O)C2=CN(c3ccc(-c4cnc5c(ccn5[Si](C(C)C)(C(C)C)C(C)C)c4Cl)cc3)c3ccccc3S2(=O)=O)CC1,FICDVFRRVFMACX-UHFFFAOYSA-N
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-rxn:4:205957:223590,Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1-c1ccc(N2CC(F)(F)C2)c([N+](=O)[O-])c1,YLCPZRVYZZFGKN-UHFFFAOYSA-N
-rxn:4:206687:223828,CCN1CCN(c2cc(-c3cc(N4CCCCC4)cc([N+](=O)[O-])c3)cc(C(F)(F)F)c2)CC1,BBTGBOCYZCLBRB-UHFFFAOYSA-N
-rxn:4:206789:222538,Cc1cc([N+](=O)[O-])cc(-c2cc(C3CCCC3)nc(C3CCNCC3)c2)c1N1CCOCC1,WELCUNYBPQOSMV-UHFFFAOYSA-N
-rxn:4:206942:224011,CCN1CCN(c2cc(-c3ccc(S(=O)(=O)N4CCN(C)CC4)c(F)c3)cc(F)c2F)CC1,SHEUEDGMLSGXMH-UHFFFAOYSA-N
-rxn:4:206945:224391,Cc1cc(S(=O)(=O)N2CCOCC2)ccc1-c1sc(C2CCCN(S(C)(=O)=O)C2)nc1C,RWQQZJWNXMZTBB-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:4:206990:222826,CN1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2cccc(S(=O)(=O)N3CCNCC3)c2)CC1,KEMRJGTXKCOCIL-UHFFFAOYSA-N
-rxn:4:206990:224379,CN1CCN(S(=O)(=O)c2ccccc2-c2cc(F)c(F)cc2S(=O)(=O)N2CCN(C)CC2)CC1,LNGIVJWDBDEOER-UHFFFAOYSA-N
-rxn:4:207028:223842,CC1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2cccc(C3CCCN(C(C)C)C3)n2)CC1,DTJWNWFZRAVORO-UHFFFAOYSA-N
-rxn:4:207060:224010,COc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1ccc(S(=O)(=O)N2CCCN(C)CC2)cc1,BROBFSSHELXNOH-UHFFFAOYSA-N
-rxn:4:207064:224760,Cc1cc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)c(S(=O)(=O)N2CCN(C)CC2)cc1Cl,DFUDUKNEBZSJKN-UHFFFAOYSA-N
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-rxn:4:207849:223569,Cc1ccccc1N1C(=O)N(c2cccc(-c3cnc4c(ccn4[Si](C(C)C)(C(C)C)C(C)C)c3F)c2)C2CS(=O)(=O)CC21,NOAONXOBOJCKRS-UHFFFAOYSA-N
-rxn:4:207890:224589,Cc1c(-c2ccc(F)cc2CN2CCC(C)CC2)cnn1CC12CC3CC(CC(C3)C1)C2,ODFAQBISPBTSEH-UHFFFAOYSA-N
-rxn:4:207956:223831,COc1ccc(-c2cccc(C3c4c(oc5cc(C)c(C)cc5c4=O)C(=O)N3c3cccc(C)n3)c2)cc1S(=O)(=O)N1CCC(C)CC1,OWFUGTBQNQBFFE-UHFFFAOYSA-N
-rxn:4:207959:226675,Cc1ccc(C2=NN3C(C2)c2cc(-c4cnc(C5CCCC5)nc4Cl)ccc2OC3C2CCCCC2)cc1,ONYYKEAAYRCELF-UHFFFAOYSA-N
-rxn:4:209608:223696,Cc1nc(N2CCOCC2)sc1-c1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1,DKMFRKWISCQIKW-UHFFFAOYSA-N
-rxn:4:210710:223498,CC(C)(C)OC(=O)N1CCCN(C(=O)c2ccc(-c3cnc4c(ccn4C4CCC4)c3)cc2)CC1,PCUBRNZGNJUIIO-UHFFFAOYSA-N
-rxn:4:210970:223660,Cn1ncc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)s2)c1C12CC(C)(C)CC1O2,YWHWXNMTWQBEKV-UHFFFAOYSA-N
-rxn:4:211059:224991,CN1C(=O)C2(c3ccccc31)N(c1ccc(-c3cc(C4CC4)nc(N4CCCC4)c3)cc1)C(=O)CS2(=O)=O,YBKCYBCKOHVFQP-UHFFFAOYSA-N
-rxn:4:212526:223597,N#CC1CCN(CCOc2ccc([N+](=O)[O-])cc2-c2ccc(OCCN3CCC4(CC3)OCCO4)c(Cl)c2)CC1,LDKMWQZEUQLLSU-UHFFFAOYSA-N
-rxn:4:212541:223930,Cc1cc2c(cnn2C(=O)OC(C)(C)C)cc1-c1cncc(OCC2CN(C(=O)OC(C)(C)C)C2)n1,SJRPWKXYTQPNRX-UHFFFAOYSA-N
-rxn:4:212541:224157,CC(C)(C)OC(=O)N1CC(COc2cncc(-c3cn(C(=O)OC(C)(C)C)c4ccccc34)n2)C1,XSNSWCLWZKBHIG-UHFFFAOYSA-N
-rxn:4:212547:223595,CCOCCN1CCC(Oc2ncc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)c(F)c3)cn2)CC1,WHHICIMNDFPXJP-UHFFFAOYSA-N
-rxn:4:212587:224753,CCOc1ccc(S(=O)(=O)N2CC(Cn3cc(-c4cc(S(=O)(=O)N5CCCC5)ccc4C)cn3)C2)cc1,YDAYZHINULLQGT-UHFFFAOYSA-N
-rxn:4:212607:226255,CCCCOc1ccc(Cl)cc1-c1cnc(OC2CCN(C(=O)C(CC)CC)CC2)nc1,ZGZAJDAEIVBDHP-UHFFFAOYSA-N
-rxn:4:212609:223761,CC(C)(C)OC(=O)N1CCCC1c1ccc(-c2nccn2CC2CCN(C(=O)OCc3ccccc3)CC2)cc1,KZZNSKPZRIKIJA-UHFFFAOYSA-N
-rxn:4:212622:225220,CC1CCCCN1c1ncc(-c2cnc(OCC3CCCN(C(=O)Cc4ccc(F)cc4)C3)nc2)cc1Cl,MIBKKPIMNROTKC-UHFFFAOYSA-N
-rxn:4:212631:224306,O=C(c1cncc(-c2ccc(C(F)(F)F)cc2OC2CCCC2)c1)N1CCC(COc2ncccc2C(F)(F)F)CC1,IHYCYSIYCUXCTM-UHFFFAOYSA-N
-rxn:4:212631:225009,Cc1cnc(OC2CCCCC2)c(-c2cncc(C(=O)N3CCC(COc4ncccc4C(F)(F)F)CC3)c2)c1,AIQJKKFMEWHGDH-UHFFFAOYSA-N
-rxn:4:212650:226224,CCOCCOc1ccc(-c2cnc(OCC3CCCN(C(=O)CC(C)(C)C)C3)nc2)cc1,ZQZVPZPWGUYVHI-UHFFFAOYSA-N
-rxn:4:212680:223790,Cc1ccc(OCC2CCN(C(=O)Cc3ccc(F)cc3-c3cncc(C4CCCN4C(=O)OC(C)(C)C)c3)CC2)nn1,PZMPNZGGEOKINB-UHFFFAOYSA-N
-rxn:4:212710:222948,Cc1ncnc(OCC2CCN(C(=O)Cc3ccc(-c4cnc(N5CCC(O)CC5)nc4Cl)cc3)CC2)c1C,CSQTUEDQBLPTNU-UHFFFAOYSA-N
-rxn:4:212710:225172,Cc1ncnc(OCC2CCN(C(=O)Cc3ccc(-c4cc(CN5CCOCC5)ccc4F)cc3)CC2)c1C,DPJZOUOCNKGUNQ-UHFFFAOYSA-N
-rxn:4:212736:228452,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cc4c(Cl)ncnc4s3)cc2N2CCCC2)CC1,IRYCGNSWXLNGHD-UHFFFAOYSA-N
-rxn:4:212739:223503,CC(C)(C)OC(=O)N1CCC(Oc2cc(F)c(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)c(N4CCCCC4)c3)c(F)c2)CC1,MQPCTRMGFAHBJX-UHFFFAOYSA-N
-rxn:4:212744:224290,CC(C)(C)OC(=O)N1CCN(c2cc(CN3CCC(F)(F)CC3)cc(-c3ccc(Cl)cc3OCCN3CCOCC3)c2)CC1,HETLBDBCAYNNKW-UHFFFAOYSA-N
-rxn:4:212902:222539,CN(Cc1nn(C)cc1-c1ccc2c(c1)CC(NC(=O)OC(C)(C)C)C2)C(=O)OC(C)(C)C,HWJUGROCXOMLMA-UHFFFAOYSA-N
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-rxn:4:212908:225292,CCOC(=O)N1CCCC(Oc2ncc(-c3ccc(OC(C)C)c(C(F)(F)F)c3)cn2)C1,RVNGZPJAOAIWCZ-UHFFFAOYSA-N
-rxn:4:212938:223602,CCC(=O)N1CCCC(COc2ncc(-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3Cl)cn2)C1,MCSIHMPGDMADNF-UHFFFAOYSA-N
-rxn:4:212988:222634,CC(C)(C)OC(=O)N1CCN(C(=O)c2csc(-c3ccc(OCCNC4CCCC4)c(F)c3)n2)CC1,YPUPQODTXGZYJE-UHFFFAOYSA-N
-rxn:4:212989:223880,Cc1ccc2c(c1)cc(-c1ncc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)s1)n2C(=O)OC(C)(C)C,XVXCABWSXKKQPQ-UHFFFAOYSA-N
-rxn:4:212999:222719,CSc1ncccc1C(=O)N1CCC(Oc2ncccc2-c2cc(C3CCCNC3)nc(C(F)(F)F)c2)C1,LPWLBXOQHSCVAT-UHFFFAOYSA-N
-rxn:4:213005:222634,COc1cnc(OC2CCN(C(=O)c3ccc(-c4ccc(OCCNC5CCCC5)c(F)c4)o3)CC2)nc1,XWVIUQFPPDFYOA-UHFFFAOYSA-N
-rxn:4:213037:223972,CC(C)CCN1CCC(Oc2ncc(-c3ccc(N4CCCCC4C)cc3C(F)(F)F)cn2)CC1,GRNFTZKAPFQOHQ-UHFFFAOYSA-N
-rxn:4:213058:224371,COC(=O)C1CCN(c2ncc(-c3cnc(OC4CCCN(C(=O)Cc5ccc(F)cc5)C4)nc3)cn2)CC1,HJNMMNLVXQDPNJ-UHFFFAOYSA-N
-rxn:4:213066:226340,N#Cc1cc(-c2ccc(C(=O)N3CCC(N4CC(=O)N(CC(F)(F)F)C4=O)CC3)o2)c(Cl)c(C2CC2)c1,GMZSOJYRTQLNAB-UHFFFAOYSA-N
-rxn:4:213080:223931,CC(C)(C)OC(=O)N1CCN(C(=O)c2cncc(-c3cc4ccc(Cl)cc4n3C(=O)OC(C)(C)C)c2)CC1,NYQONFAQQMGIEI-UHFFFAOYSA-N
-rxn:4:213097:226750,COc1ccc(C(F)(F)F)cc1-c1ccc(C2(C#N)CCN(C(=O)OC(C)(C)C)CC2)nc1,FAHFYSZOGZLFBR-UHFFFAOYSA-N
-rxn:4:213097:226922,Cc1cc(C2CC2)cc(C)c1-c1ccc(C2(C#N)CCN(C(=O)OC(C)(C)C)CC2)nc1,JUKCRFMRVRVZPT-UHFFFAOYSA-N
-rxn:4:213123:225367,O=C(Cc1ccccc1-c1cnc(N2CCC(F)(F)CC2)nc1)N1CCN(c2ccnc(C(F)(F)F)c2)C(=O)C1,VBPYLPDAHFAWQU-UHFFFAOYSA-N
-rxn:4:213126:222780,CN(C)CCNC(=O)c1cc(F)cc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)cn2)c1,LZGOSICTHDJMFU-UHFFFAOYSA-N
-rxn:4:213127:223940,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3ccc4c(c3)OCCN4C(=O)OC(C)(C)C)ccn2)CC1,ZCTQFMCNXLNACH-UHFFFAOYSA-N
-rxn:4:213130:222462,CC(C)(C)OC(=O)Nc1nc2cc(F)c(-c3cncc(CN4CCN(C(=O)OC(C)(C)C)CC4)c3)c(F)c2s1,BLLFSCPIPLQWFC-UHFFFAOYSA-N
-rxn:4:213135:223812,CC(C)(C)CC(=O)N1CCC(Oc2ncc(-c3cc(F)cc(CN4CCC5(CC4)OCCO5)c3)cn2)CC1,HXMSHHZZEAVANM-UHFFFAOYSA-N
-rxn:4:213147:223136,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cncc(-c3ccncc3C3CCCNC3)c2)CC1,UIBZYKNLFJEZMK-UHFFFAOYSA-N
-rxn:4:213147:223271,CC(=O)Nc1cc(-c2cncc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)ccc1F,GTWXYKLSBILRPU-UHFFFAOYSA-N
-rxn:4:213160:223489,COc1ccccc1S(=O)(=O)N1CCC(Oc2ncc(-c3ccc(S(=O)(=O)N4CCC(O[Si](C)(C)C(C)(C)C)CC4)cc3)cn2)CC1,GTQVKOHINNHKLD-UHFFFAOYSA-N
-rxn:4:213162:225753,COC(=O)c1cnc(C2CC2)c(-c2cnc(OC3CCN(S(=O)(=O)c4ccc(OC)c(F)c4)CC3)nc2)c1,GEZKYLLILBHMBS-UHFFFAOYSA-N
-rxn:4:213200:222833,COc1ccc(-c2cccc(NC(=O)CCC(C)C)c2)c(C(=O)N2CCC(Oc3cc(C)nc(C)n3)C2)c1,FIDNWHGIVSMPIP-UHFFFAOYSA-N
-rxn:4:213213:224274,CN(c1cccc(-c2cc3cnccc3n2C(=O)OC(C)(C)C)n1)C1CCN(C(=O)OC(C)(C)C)CC1,YEDHNYQGQMYAOO-UHFFFAOYSA-N
-rxn:4:213228:225758,CC1CN(S(=O)(=O)c2cncc(-c3ccncc3C(=O)OC(C)(C)C)c2)CCN1C(=O)OC(C)(C)C,KXATURLOXFPKTC-UHFFFAOYSA-N
-rxn:4:213236:223064,COc1ccc(S(=O)(=O)N2CCCC(Oc3ncc(-c4ccc(C5CCNCC5)nc4F)cn3)C2)cc1C,SCAJOUHFLHFREN-UHFFFAOYSA-N
-rxn:4:213258:227185,Cc1nn(CC2CCCN(C(=O)OC(C)(C)C)C2)c(C)c1-c1ccc2c(c1)N(C)CCO2,MCVKKUZCSSJCSU-UHFFFAOYSA-N
-rxn:4:213261:227338,CC(C)Oc1ccc(F)c(-c2ccc(CN3CCN(CC(F)(F)F)CC3)c(N3CCOCC3)c2)c1,UYFQEANQRKMKBG-UHFFFAOYSA-N
-rxn:4:213327:223500,CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(-c3ccc(-c4nc5sccn5c4C=NOCc4c(F)cccc4Cl)cc3)ccc2F)CC1,HYZDMBOJPKDTGX-UHFFFAOYSA-N
-rxn:4:213345:223972,CC1CCCCN1c1ccc(-c2cnccc2OC2CCN(C(=O)Cn3c(=O)oc4ccccc43)C2)c(C(F)(F)F)c1,MRFHQBMLWPFAME-UHFFFAOYSA-N
-rxn:4:213395:222848,CCc1cc(-c2ccc3ccn(CC(=O)N4CCN(S(=O)(=O)c5ccc(F)cc5)CC4)c3c2)cc(C2CCCNC2)n1,CQUMUWXJMKCDGD-UHFFFAOYSA-N
-rxn:4:213412:224332,CC(C)CS(=O)(=O)C1CCN(C(=O)c2c3ccc(-c4cccc(-c5ccc(C(F)(F)F)cn5)c4)cc3nn2C)CC1,AZLHMIXGGGEYEQ-UHFFFAOYSA-N
-rxn:4:213459:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc4c(c3)C(c3ccccn3)=C[C@@H](CCC(=O)OC)c3ncc(C)n3-4)c2)CC1,ILKDJVXITCACIJ-HHHXNRCGSA-N
-rxn:4:213481:225286,COC12CC(COC(=O)c3cncc(-c4cc(F)ncc4C(=O)OC(C)(C)C)c3)CN(C)C1Cc1cn(C)c3cccc2c13,TYYVMGUKCRMITO-UHFFFAOYSA-N
-rxn:4:213488:223573,COC(=O)CCc1nc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)cc2)n[nH]1,XSIZREIAMQMGPV-UHFFFAOYSA-N
-rxn:4:213659:222546,CCOC(=O)C1CCCN(c2ncc(-c3ccc(OCCNC4CCCCC4)c(F)c3)cn2)C1,OZGHPQLXEBBHES-UHFFFAOYSA-N
-rxn:4:213672:222546,CCOC(=O)N1CCN(c2ncc(Cl)cc2-c2ccc(OCCNC3CCCCC3)c(F)c2)CC1,ZBAOIIGYRJHCQR-UHFFFAOYSA-N
-rxn:4:213692:224718,CC(C(=O)N1CCC(C(F)(F)F)CC1)n1cc(-c2ccc(OCCN3CCOCC3)nc2)cn1,LYNVOFFQJLSQTH-UHFFFAOYSA-N
-rxn:4:213693:223638,CC(C(=O)N1CCCC(C(F)(F)F)C1)n1cc(-c2cccc(C3CCCN(C(=O)OC(C)(C)C)C3)c2)cn1,PHXDUWYZNGILJS-UHFFFAOYSA-N
-rxn:4:213720:223591,CC(C)(C)OC(=O)N1CCN(c2ccc(F)c(-c3ccnn3C3CCN(C(=O)OC(C)(C)C)C3)c2)CC1,DZXROUSZXXNMRD-UHFFFAOYSA-N
-rxn:4:213721:223490,Cc1ccc(-c2ccn(C3CCN(C(=O)OC(C)(C)C)C3)n2)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,QFDVCXOYRYSXAT-UHFFFAOYSA-N
-rxn:4:213765:224368,CN(C(=O)OC(C)(C)C)c1cc(-c2cncc(C3CCN(C(=O)OC(C)(C)C)C3)n2)cnc1Cl,WTEIBUGWDKRQHW-UHFFFAOYSA-N
-rxn:4:213766:223556,CC(C)(C)OC(=O)N1CCN(c2nc(-c3ccc4c(c3)c3ccccc3n4C(=O)OC(C)(C)C)co2)CC1,MXDVBQSIQKAWPP-UHFFFAOYSA-N
-rxn:4:213767:225975,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3ccnc(N4CCOCC4)c3Cl)o2)CC1,BJXLLJFRRPHAML-UHFFFAOYSA-N
-rxn:4:213778:224811,CCN1CCN(c2ccc(-c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)c(C(=O)OC)n2)CC1,BTESXZREJZACHL-UHFFFAOYSA-N
-rxn:4:213796:222853,OC1CCN(Cc2ccc(-c3cnn(CC4CN(CC5CCOCC5)C4)c3)cc2)CC1,GAOXGMAZXXXFKX-UHFFFAOYSA-N
-rxn:4:213798:225984,CC(C)(C)OC(=O)N1CCOC(c2cnc(-c3cnc(Cl)c(N4CCOCC4)c3)cn2)C1,YCAGAPZBUUDAAW-UHFFFAOYSA-N
-rxn:4:213801:224291,CC(C)(C)OC(=O)N1CCOC(c2cncc(-c3ccc(OCCN4CCOCC4)c(F)c3)n2)C1,ASWHAVSZXAFPHR-UHFFFAOYSA-N
-rxn:4:213805:223930,Cc1cc2c(cnn2C(=O)OC(C)(C)C)cc1-c1cnc(C2CN(C(=O)OC(C)(C)C)CCO2)nc1,DJWUWAIBSWTTRZ-UHFFFAOYSA-N
-rxn:4:213805:225518,CCCCCOc1ncc(C)cc1-c1cnc(C2CN(C(=O)OC(C)(C)C)CCO2)nc1,GHSQQHNHFPHWKS-UHFFFAOYSA-N
-rxn:4:213859:223534,Cc1nn(C(=O)N(c2ccccc2)c2ccccc2)c(C)c1-c1cc(OC2CCN(C(=O)OC(C)(C)C)CC2)ncc1F,SNOMJYUBFUZIJY-UHFFFAOYSA-N
-rxn:4:213875:224759,CC(C)(C)OC(=O)N1CCN(c2cccc(-c3cc(F)cc(C(=O)N4CCOCC4)c3)n2)CC1,WMEMSROMNYEMHR-UHFFFAOYSA-N
-rxn:4:213877:223498,CC(C)(C)OC(=O)N1CCCN(C(=O)c2ccc(-c3cc(N4CCN(C(=O)OC(C)(C)C)CC4)ccn3)cc2)CC1,LJVVOYLZFBUUHE-UHFFFAOYSA-N
-rxn:4:213877:223602,CC(C)(C)OC(=O)N1CCN(c2ccnc(-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3Cl)c2)CC1,QXFXEXOOERBHEX-UHFFFAOYSA-N
-rxn:4:213880:222948,CC(C)(C)OC(=O)N1CCN(c2cnccc2-c2cnc(N3CCC(O)CC3)nc2Cl)CC1,ARCAVWCMVSNCKU-UHFFFAOYSA-N
-rxn:4:213880:223670,CC(C)(C)OC(=O)N1CCN(c2cnccc2-c2cccnc2N2CCN(C(=O)OC(C)(C)C)CC2)CC1,UQNMFVGHEOWLMW-UHFFFAOYSA-N
-rxn:4:213894:225979,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(N4CCOCC4)c(Cl)c3)cn2)CC1,RXQOOHNYCRJRCG-UHFFFAOYSA-N
-rxn:4:213897:225976,CC(C)(C)OC(=O)N1CCN(c2ccncc2-c2ccnc(N3CCOCC3)c2F)CC1,SSQMUXSUGIJZQO-UHFFFAOYSA-N
-rxn:4:213905:223831,COc1ccc(-c2ccc(S(=O)(=O)N3CCC(Cn4ccnc4)CC3)cc2)cc1S(=O)(=O)N1CCC(C)CC1,NGZGNGNVDZRTBB-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:4:213937:224011,COc1cc(N2CCN(S(=O)(=O)c3ccccc3-c3ccc(S(=O)(=O)N4CCN(C)CC4)c(F)c3)CC2=O)ccn1,RQACGGWPJBSWMJ-UHFFFAOYSA-N
-rxn:4:213940:226837,Cc1nn(CC(F)(F)F)c(C)c1-c1cnn(C)c1C1CCCN(C(=O)OC(C)(C)C)C1,MASYSAYCYKAASF-UHFFFAOYSA-N
-rxn:4:213942:223880,Cc1ccc2c(c1)cc(-c1cn(C3CCN(C(=O)OC(C)(C)C)CC3)nc1C)n2C(=O)OC(C)(C)C,NTBSYHXEZGLPQL-UHFFFAOYSA-N
-rxn:4:213955:222971,CC(C)(C)C(=O)Nc1ccc(-c2cnc(OC3CCN(C(=O)C4CC=CCC4)CC3)nc2)cc1,WIKXXXOUOKWABL-UHFFFAOYSA-N
-rxn:4:213971:226197,O=C(C1CN(c2ncc(C(F)(F)F)cc2-c2ccc(C3CCCOC3)cc2)CCO1)N1CCOCC1,HYOAIOKQMMWOPI-UHFFFAOYSA-N
-rxn:4:213974:222928,Cc1nc(N2CCC(O)CC2)ncc1-c1cccc(N2CCCN(C(=O)OC(C)(C)C)CC2)n1,WAEOEYBFUJDDOU-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:4:213983:224153,CC1CN(C(=O)OC(C)(C)C)CCC1c1cnc(-c2cc(N3CCCC3)cc(N3CCCC3)c2)cn1,JIKFYMOFGCGYFW-UHFFFAOYSA-N
-rxn:4:213990:223638,Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1-c1cccc(C2CCCN(C(=O)OC(C)(C)C)C2)c1,GPGQSWIRTPZFDE-UHFFFAOYSA-N
-rxn:4:213990:223884,Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1-c1ccc2c(c1)CCN(C(=O)OC(C)(C)C)C2,YKOFLLAENSATSD-UHFFFAOYSA-N
-rxn:4:214026:228089,CCCOc1ncccc1-c1cc(C(F)(F)F)cnc1N1CCCC(C(=O)N2CCOCC2)C1,XIBLXIXMXQSJRV-UHFFFAOYSA-N
-rxn:4:214029:223670,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2cnc(N3CCCC(C(=O)N4CCSCC4)C3)c(C(F)(F)F)c2)CC1,LTTXLDBQSVXRRD-UHFFFAOYSA-N
-rxn:4:214059:228477,CC(C)(C)OC(=O)N1CC2(CCN(c3ccc(-c4cnccc4C(F)(F)F)cn3)CC2)C1,XJAQGLBGVCKLDC-UHFFFAOYSA-N
-rxn:4:214069:223999,Cc1ccc(S(=O)(=O)N2CCCC(c3nc(-c4ccc(-c5cc(S(=O)(=O)N6CCC(C)CC6)ccc5F)cc4)no3)C2)cc1,JPCMHUGXJRNYKK-UHFFFAOYSA-N
-rxn:4:214075:222658,O=C(NC1CCCCC1)c1cc(F)cc(-c2ccc(CN3CCC(N4CC(=O)N(c5ccccc5)C4=O)CC3)cc2)c1,HUHIZVOWHISILZ-UHFFFAOYSA-N
-rxn:4:214096:223534,COC(=O)c1nn(CC(F)(F)F)c2ncc(-c3cc(OC4CCN(C(=O)OC(C)(C)C)CC4)ncc3F)cc12,QFJSNOFJRGPFIC-UHFFFAOYSA-N
-rxn:4:214185:223487,COc1ccc(N(c2ccc(OC)cc2)c2ccc(-c3c(C(F)(F)F)nn4c3CN(C(=O)OC(C)(C)C)CCC4)cc2)cc1,GJHCBQFSRWNKTH-UHFFFAOYSA-N
-rxn:4:214201:225803,CC(C)(C)OC(=O)N1C2CC1CN(c1ccc(-c3ccnc(OC4CCOCC4)c3)cn1)C2,LEHLJZQXMKVYIG-UHFFFAOYSA-N
-rxn:4:214212:223951,CN1CCN(CCOc2ccc(-c3ccc(C(=O)N4CCN(C(=O)c5cc6ccccc6[nH]5)CC4)o3)cc2F)CC1,NIVUEQQIILBUSW-UHFFFAOYSA-N
-rxn:4:214220:223533,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc4[nH]c(C5CCCN5C(=O)OC(C)(C)C)nc4c3)c(F)c2)CC1,TZLSKTABBLMBGO-UHFFFAOYSA-N
-rxn:4:214273:223577,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3ccc4ncn(C5CCN(C(=O)OC(C)(C)C)CC5)c4c3)cc2)CC1,DPFFOSJOMKGVPB-UHFFFAOYSA-N
-rxn:4:214296:226037,COc1c(C(F)(F)F)ccc(-c2ccc3nccc(N4CCN(C(=O)OC(C)(C)C)CC4)c3c2)c1F,MHKOSGKSPPQVCF-UHFFFAOYSA-N
-rxn:4:214326:223532,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)cc(-c3cccc(CN4CCC(Cn5cnc6ccccc6c5=O)CC4)c3)c2)CC1,HPNCUZSCBQWQCS-UHFFFAOYSA-N
-rxn:4:214669:224258,CC(=O)N1CCC(Cc2cnc(-c3ccc(C(=O)N4CCCCC4C)cc3Cl)cn2)CC1,YTUKUSUPUIRQII-UHFFFAOYSA-N
-rxn:4:214752:224760,CC(C)N1CCN(C(=O)c2ccc(F)c(-c3ccc(S(=O)(=O)N4CCCCC4)cc3)n2)CC1,QQERHTQGISSQRS-UHFFFAOYSA-N
-rxn:4:214787:222538,O=C1CN(S(=O)(=O)c2ccc(-c3cc(C4CCCC4)nc(C4CCNCC4)c3)cc2)CCN1c1ccccn1,SPMSEUIETVVZQM-UHFFFAOYSA-N
-rxn:4:214787:223810,Cc1cc(-c2ccc(S(=O)(=O)N3CCN(c4ccccn4)C(=O)C3)cc2)cc(C)c1S(=O)(=O)N1CCC(C)CC1,XXLOQYIILCDDPG-UHFFFAOYSA-N
-rxn:4:214805:223831,COc1ccc(-c2ccc(N3CCCN(S(=O)(=O)C4CC4)CC3)nc2)cc1S(=O)(=O)N1CCC(C)CC1,DGCFQFOXOPRZTB-UHFFFAOYSA-N
-rxn:4:214819:222916,O=C(NC1=NCCS1)c1cccc(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCCC3)C2)c1,LQJZSXSLBNPPRS-UHFFFAOYSA-N
-rxn:4:214819:223649,CC(C)(C)OC(=O)N1CCN(c2cccc(-c3cc(Cl)cnc3N3CCOC(C(=O)N4CCCC4)C3)c2)CC1,XGNOVJRBTSIGQD-UHFFFAOYSA-N
-rxn:4:214835:225724,CN(C)CCOc1ccc(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCOCC3)C2)cc1F,VMWNJYALZYMCKJ-UHFFFAOYSA-N
-rxn:4:214835:226771,COC(=O)c1cc(F)c(F)cc1-c1cc(Cl)cnc1N1CCOC(C(=O)N2CCOCC2)C1,MTYGOALOZVHQJI-UHFFFAOYSA-N
-rxn:4:214835:226981,CCCCCCc1ccsc1-c1cc(Cl)cnc1N1CCOC(C(=O)N2CCOCC2)C1,HRNFNERHTKFNGH-UHFFFAOYSA-N
-rxn:4:214836:227464,CCCCSc1ncc(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCSCC3)C2)cn1,XBAGBHXDJCNSBV-UHFFFAOYSA-N
-rxn:4:214837:223650,CC(C)(C)OC(=O)N1CCN(c2ccccc2-c2cnc(N3CCOC(C(=O)N4CCSCC4)C3)c(Cl)c2)CC1,BESZRUIUNJGIGY-UHFFFAOYSA-N
-rxn:4:214862:223936,CC(C)(C)OC(=O)n1c(-c2cncc(C(=O)N3CCCN(C4CCSC4)CC3)c2)cc2c(F)cccc21,BKVVWOHQTYUSBR-UHFFFAOYSA-N
-rxn:4:214862:223945,O=C(c1cncc(-c2ccc(OCCCN3CCOCC3)c(F)c2)c1)N1CCCN(C2CCSC2)CC1,DSFCZUJMJOFSQO-UHFFFAOYSA-N
-rxn:4:214862:225746,CC(C)(C)OC(=O)c1ncccc1-c1cncc(C(=O)N2CCCN(C3CCSC3)CC2)c1,ZVLRYMJTIKGZBY-UHFFFAOYSA-N
-rxn:4:214870:223140,O=C(C1CCCN(c2ncc(Cl)cc2-c2ccnc(C3CCCNC3)c2)C1)N1CCOCC1,XJCWDGINMYRYOS-UHFFFAOYSA-N
-rxn:4:214872:227464,CCCCSc1ncc(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCCCC3)C2)cn1,IMIQGEUXBVVQHT-UHFFFAOYSA-N
-rxn:4:214873:222965,CCCC(=O)NCc1ccc(-c2cnc(N3CCCC(C(=O)N4CCOCC4)C3)c(F)c2)cc1,ASVDIBSKDAIUBZ-UHFFFAOYSA-N
-rxn:4:214874:223595,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(N4CCOC(C(=O)N5CCCCC5)C4)c(F)c3)cc2F)CC1,AQAPGTNAFGWHHB-UHFFFAOYSA-N
-rxn:4:214874:223964,O=C(C1CN(c2ncc(-c3ccc(Oc4ccc(C(F)(F)F)cc4)cc3)cc2F)CCO1)N1CCCCC1,HZGCQHZSHANXPD-UHFFFAOYSA-N
-rxn:4:214874:226088,CCN(CC)Cc1ccc(-c2cnc(N3CCOC(C(=O)N4CCCCC4)C3)c(F)c2)cc1,ZWOUXMVHAPCPKL-UHFFFAOYSA-N
-rxn:4:214890:223581,COC(=O)c1cccc2cc(-c3cncc(C(=O)N4CCCN(C5CCSCC5)CC4)c3)n(C(=O)OC(C)(C)C)c12,MWEZTNFJGGFLEU-UHFFFAOYSA-N
-rxn:4:214890:224660,CN1CCN(C(=O)c2ccc(-c3cncc(C(=O)N4CCCN(C5CCSCC5)CC4)c3)cc2)CC1,NTDCKIHKWOPZAY-UHFFFAOYSA-N
-rxn:4:215056:224312,CN1CCN(C(=O)c2cc(-c3ccc(CSC4=NN5CCCC(=O)N=C5S4)cc3)ccc2F)CC1,SWUOIHQURYCNIE-UHFFFAOYSA-N
-rxn:4:215097:223498,CC1CN(C(=O)OC(C)(C)C)Cc2cnc(-c3ccc(C(=O)N4CCCN(C(=O)OC(C)(C)C)CC4)cc3)n21,JWDMQWYHJKFCNM-UHFFFAOYSA-N
-rxn:4:215131:222635,Cc1nn(C(=O)C(C)N2C(=O)c3ccccc3C2=O)c(C)c1-c1cccc([C@H](C)NC(=O)OC(C)(C)C)c1,BOOHGIWNZXYYDH-UCFFOFKASA-N
-rxn:4:215143:224379,CN1CCN(S(=O)(=O)c2ccccc2-c2ccccc2S(=O)(=O)N2CCn3nc(C4CC4)cc3C2)CC1,PSSKHBFIKCJATA-UHFFFAOYSA-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:4:215981:223844,CC(C)(C)c1cc(N2CCCCC2)nc(-c2ccc(S(=O)(=O)N3CCCC3)cc2C(F)(F)F)n1,UTSDEQMOWZFQEA-UHFFFAOYSA-N
-rxn:4:215984:222892,COc1cc(N2CCNCC2)ccc1-c1ccc(-n2cccc2C=C2C(=O)N(C)C(=O)N(C)C2=O)cc1,SAAXLMRIVAELDN-UHFFFAOYSA-N
-rxn:4:217045:223527,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)ccc2-c2cnc(N3CCCC3)nc2Cl)CC1,MBYJBFICNPMZPC-UHFFFAOYSA-N
-rxn:4:217045:223528,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3cnc(N4CCCC4)nc3Cl)ccc2F)CC1,WZXAAVMZMGZFHV-UHFFFAOYSA-N
-rxn:4:217073:223528,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3ccnc(N4CCOCC4)n3)ccc2F)CC1,BXZAQLQVATWYCF-UHFFFAOYSA-N
-rxn:4:217073:223531,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccnc(N4CCOCC4)n3)cc2Cl)CC1,UUBNFNBPPBQXEN-UHFFFAOYSA-N
-rxn:4:217078:223531,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cc(N4CCOCC4)ncn3)cc2Cl)CC1,VOHPFIFBELAODK-UHFFFAOYSA-N
-rxn:4:217085:223528,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3ncc(N4CCOCC4)nc3Cl)ccc2F)CC1,KSUROEMIIYKLDY-UHFFFAOYSA-N
-rxn:4:217085:223530,CC(C)(C)OC(=O)N1CCN(Cc2ccc(F)cc2-c2ncc(N3CCOCC3)nc2Cl)CC1,KRZWMWQRNDTFIV-UHFFFAOYSA-N
-rxn:4:217086:223531,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cnc(N4CCOCC4)nc3Cl)cc2Cl)CC1,MOXGFAGBEJDYCN-UHFFFAOYSA-N
-rxn:4:217145:223536,Cc1nc(-c2cc(F)c(F)c(N3CCN(C(=O)OC(C)(C)C)CC3)c2)cnc1N1CCOCC1,TUGLPUYXTFQALH-UHFFFAOYSA-N
-rxn:4:217149:223531,C=C1CCCN(c2ncc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)c(Cl)c3)cn2)C1,MNLXXRYHZDOQIC-UHFFFAOYSA-N
-rxn:4:217825:223579,CC1CN(C(=O)OC(C)(C)C)CCN1c1ccc(-c2cc3cnn(C4CCCCO4)c3cn2)cc1,QQXGJVDIHWSSMD-UHFFFAOYSA-N
-rxn:4:217865:223748,C=C1CC2CCC(C1)N2c1ncc(-c2cc(N3CCCCC3)cc(N3CCCCC3)c2)cn1,PKSJXOAOKDAWBQ-UHFFFAOYSA-N
-rxn:4:218567:225232,CC1CCN(c2cc(-c3cnc(N(C)CC4CN(C(=O)OC(C)(C)C)C4)cn3)cnc2Cl)CC1,QYNCEKSUJAGNGO-UHFFFAOYSA-N
-rxn:4:218589:223084,N#Cc1ccc(S(=O)(=O)N2CCCC(COc3ncc(-c4cnc(N5CCC(O)CC5)nc4)cn3)C2)cc1,UVJYKXFFIDWJDE-UHFFFAOYSA-N
-rxn:4:218589:224811,N#Cc1ccc(S(=O)(=O)N2CCCC(COc3ncc(-c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)cn3)C2)cc1,QRNXQHCOFJVQAA-UHFFFAOYSA-N
-rxn:4:218589:225600,N#Cc1ccc(S(=O)(=O)N2CCCC(COc3ncc(-c4cccnc4OC4CCCCC4)cn3)C2)cc1,YZHVHEZWPPNEGV-UHFFFAOYSA-N
-rxn:4:218589:225633,N#Cc1ccc(S(=O)(=O)N2CCCC(COc3ncc(-c4ccc(N5CCCCCC5)nc4)cn3)C2)cc1,FSYPJMWPAACAED-UHFFFAOYSA-N
-rxn:4:218589:225794,N#Cc1ccc(S(=O)(=O)N2CCCC(COc3ncc(-c4cnc(OC5CCCCC5)nc4)cn3)C2)cc1,LLYVBZGBACDTGF-UHFFFAOYSA-N
-rxn:4:218600:223521,CC(c1cccc(-c2cnn(CCN3CCN(C(=O)OC(C)(C)C)CC3)c2)c1)N1CCN(C(=O)OC(C)(C)C)CC1,SYKLLWOBPYCXIC-UHFFFAOYSA-N
-rxn:4:218600:223774,COc1cccc2c1cc(-c1cnn(CCN3CCN(C(=O)OC(C)(C)C)CC3)c1)n2C(=O)OC(C)(C)C,JVRVVVRYAPQMOC-UHFFFAOYSA-N
-rxn:4:218600:225975,CC(C)(C)OC(=O)N1CCN(CCn2cc(-c3ccnc(N4CCOCC4)c3Cl)cn2)CC1,JVEBSMBBYSJJEL-UHFFFAOYSA-N
-rxn:4:218631:226003,COC(=O)c1ccc([N+](=O)[O-])cc1-c1cnc(OCC2CCN(C3CCN(CC(F)(F)F)C3=O)CC2)nc1,JZUUCUTUWIOFSR-UHFFFAOYSA-N
-rxn:4:218677:222631,CCOc1ccc(-c2ccc(N3CCN(C(=O)c4ccc(-c5cc(C6CCNCC6)nc(C(C)(C)C)c5)o4)CC3)nn2)cc1,WNLBVIJAZZEGMR-UHFFFAOYSA-N
-rxn:4:218682:223602,CC(=O)N1CCC(C(=O)N2CCCC(COc3ncc(-c4ccnc(N5CCN(C(=O)OC(C)(C)C)CC5)c4Cl)cn3)C2)CC1,TXCPTEYNHGJGCF-UHFFFAOYSA-N
-rxn:4:218714:223950,Cc1cc(C)c(S(=O)(=O)N2CCN(C(=O)CCn3nc(C)c(-c4cnc(OCc5ccccc5)nc4N(C)C)c3C)CC2)c(C)c1,SRWBOLBFDADTQX-UHFFFAOYSA-N
-rxn:4:218755:222685,Cc1cc(F)c(NC(=O)OC(C)(C)C)cc1-c1cc2c(s1)c(=O)n(C1CCN(C(=O)OC(C)(C)C)CC1)c(=O)n2CC#N,IHSYKGWQLRGCSA-UHFFFAOYSA-N
-rxn:4:218768:223992,COc1ccc(CCC(=O)N2Cc3cnc(N4CCOCC4)nc3C2)cc1-c1ccc(C)c(S(=O)(=O)N2CCN(C)CC2)c1,CRHPDELOOHQJOG-UHFFFAOYSA-N
-rxn:4:218777:223842,Cc1nn(C(C)CC(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)c(C)c1-c1cc(F)c(F)cc1S(=O)(=O)N1CCC(C)CC1,KZGUVHSLYDQMPM-UHFFFAOYSA-N
-rxn:4:218778:223777,Cc1cc(Cn2c(N3CC4(CN(C(=O)OC(C)(C)C)C4)C3)nc3c(-c4ccc5c(c4F)CCN(C(=O)OC(C)(C)C)C5)cc(Cl)cc32)cc(C)c1F,ZZRSNIHYKNQJMU-UHFFFAOYSA-N
-rxn:4:218778:224561,Cc1cc(Cn2c(N3CC4(CN(C(=O)OC(C)(C)C)C4)C3)nc3c(-c4cccc(O[Si](C)(C)C(C)(C)C)c4C)cc(Cl)cc32)cc(C)c1F,OOBOHSGVQHXVFG-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:4:218868:225633,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3ccc(N4CCCCCC4)nc3)cc2)no1,ZHNOMOVURUUACD-UHFFFAOYSA-N
-rxn:4:218877:228692,CN(C)Cc1ccc(-c2cnc(OC3CCCN(C(=O)CN4CCOC4=O)C3)nc2)s1,CMSVZNXKKKULNV-UHFFFAOYSA-N
-rxn:4:218903:225977,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3cc(Cl)cnc3N3CCOCC3)cc2C#N)CC1,XMUYJCMNLTYDIR-UHFFFAOYSA-N
-rxn:4:218917:223577,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3cnc(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)nc3)cc2)CC1,ZURLADGBQVEVPY-UHFFFAOYSA-N
-rxn:4:218972:222634,Cc1nc(C)c(C(=O)N2CCCC(COc3ncc(-c4ccc(OCCNC5CCCC5)c(F)c4)cn3)C2)s1,BUKFTJKRXBPCMM-UHFFFAOYSA-N
-rxn:4:218972:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnc(OCC4CCCN(C(=O)c5sc(C)nc5C)C4)nc3)c(F)c2)CC1,NFLIDNXTZYSHOJ-PECFQXNXSA-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:4:218999:225901,Cc1nn(C(=O)OC(C)(C)C)cc1-c1cnc(N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)c(C#N)c1,GVBYMIQXNWZDCG-INIZCTEOSA-N
-rxn:4:219002:225898,Cn1cccc(C(=O)N2CCCC(COc3ncc(-c4cnn(CCN5CCOCC5)c4)cn3)C2)c1=O,LBOWANOIQHPISA-UHFFFAOYSA-N
-rxn:4:219051:226744,CCc1cc(-c2cnc(N(C)C3CCCN(C(=O)OC(C)(C)C)CC3)cn2)cnc1C(F)(F)F,KEIQQLIODWFGLE-UHFFFAOYSA-N
-rxn:4:219062:223493,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1cccnc1OC1CCN(S(=O)(=O)c2c(C)nn(C(C)C)c2C)C1,HBHTVZXSJYHOPB-UHFFFAOYSA-N
-rxn:4:219128:223532,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)cc(-c3cnc(OCC4CCN(Cc5nc6c(s5)CCC6)CC4)nc3)c2)CC1,PAYTVTFONSHSCG-UHFFFAOYSA-N
-rxn:4:219155:225389,CCC(C)c1cc(-c2cncc(C(=O)N3CC4CCCC4(COc4ncc(C)cn4)C3)c2)cc(C2CC2)c1,YYJGCUFICBOMFI-UHFFFAOYSA-N
-rxn:4:219155:226016,Cc1cnc(OCC23CCCC2CN(C(=O)c2cncc(-c4ccc(OCC(F)(F)F)cc4Cl)c2)C3)nc1,MNPNWLZGKZSANC-UHFFFAOYSA-N
-rxn:4:219157:223761,COc1ccc(-c2ccc(C3CCCN3C(=O)OC(C)(C)C)cc2)c(C(=O)N2CCN(C(=O)c3cnn4ccccc34)CC2)c1,DTTSDGJTDHMRCK-UHFFFAOYSA-N
-rxn:4:219175:222447,COc1ccc2c(c1-c1ccc(-c3cc(C(F)(F)F)n4nc(C(=O)N(C)C5CCCCC5)cc4n3)cc1)N=C(NC(=O)OC(C)(C)C)C2,SVJGHRSGGNAUHK-UHFFFAOYSA-N
-rxn:4:219175:225267,CCCOc1ccc(-c2ccc(-c3cc(C(F)(F)F)n4nc(C(=O)N(C)C5CCCCC5)cc4n3)cc2)c(C(F)(F)F)c1,LKSNFUPWAGRILI-UHFFFAOYSA-N
-rxn:4:219184:225947,CCCN1CCN(C(=O)c2cc3n(n2)CC(c2ccc(-c4cnc(N5CCN(C)CC5)nc4)cc2)OC3)CC1,XAUXIRKUAOIDPU-UHFFFAOYSA-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:4:219353:225462,CC1CCN(c2cccc(-c3cnc(OC4CCN(S(=O)(=O)N(C)C)CC4)nc3)c2)CC1,OYFTZMNLSJVHLV-UHFFFAOYSA-N
-rxn:4:219353:225466,CC1CCCCN1c1ccc(-c2cnc(OC3CCN(S(=O)(=O)N(C)C)CC3)nc2)cc1,KCSVFZUPEMKCTM-UHFFFAOYSA-N
-rxn:4:219353:225469,CC1CCCN(c2ccc(-c3cnc(OC4CCN(S(=O)(=O)N(C)C)CC4)nc3)cc2)C1,DGRBWTYVBCVNGI-UHFFFAOYSA-N
-rxn:4:219353:225470,CC1CCN(c2ccc(-c3cnc(OC4CCN(S(=O)(=O)N(C)C)CC4)nc3)cc2)CC1,FEWWWJMUBQPPAN-UHFFFAOYSA-N
-rxn:4:219353:225472,CC1CCCCN1c1cccc(-c2cnc(OC3CCN(S(=O)(=O)N(C)C)CC3)nc2)c1,XTJHTTOENJYBDH-UHFFFAOYSA-N
-rxn:4:219384:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnc(N4CCC(COc5ccncc5Cl)CC4)nc3)c(F)c2)CC1,AMBLTTPARLGCJA-ALOJWSFFSA-N
-rxn:4:219407:224361,CCN(CC)S(=O)(=O)c1cc(-c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2)ccc1OC,UHPRHPIVTFVGMZ-UHFFFAOYSA-N
-rxn:4:219407:225984,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3cnc(Cl)c(N4CCOCC4)c3)cn2)CC1,XLHOIICKQMIUIE-UHFFFAOYSA-N
-rxn:4:219419:223835,Cc1nc(N2CCN(C(=O)c3ccc(-c4cc(S(=O)(=O)N5CCC(C)CC5)c(C)cc4F)o3)CC2)cc(C(F)(F)F)n1,SLLWSQIHAIXPAC-UHFFFAOYSA-N
-rxn:4:219433:222729,CCCc1cc(-c2ccc(C(=O)N3CCN(c4ccc(C5CC5)nn4)CC3)o2)cc(C2CCCNC2)n1,VOXLEXCGZXDCTB-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:4:219456:223652,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:4:219473:223945,COc1nc(N2CCOC(C(=O)N3CCCC3)C2)ncc1-c1ccc(OCCCN2CCOCC2)c(F)c1,RRJBARCNPGDZMG-UHFFFAOYSA-N
-rxn:4:219501:223142,CSc1ncc(-c2ccc(C3CCCNC3)nc2)c(N2CCOC(C(=O)N3CCOCC3)C2)n1,MOHYCNHXOLCFAD-UHFFFAOYSA-N
-rxn:4:219639:222813,CC(C)(C)OC(=O)Nc1ncc(-c2ccc3nc(C4CCN(C(=O)OC(C)(C)C)C4)nn3c2)cc1Cl,BPPLKWRRVABONK-UHFFFAOYSA-N
-rxn:4:219675:223785,CCN1CCN(CCOc2ccc(-c3cccc(Cn4nc5ccc(S(=O)(=O)N6CCCC6)cn5c4=O)c3)cc2Cl)CC1,ZQYLEOPICNPHNY-UHFFFAOYSA-N
-rxn:4:219691:223774,COc1cccc2c1cc(-c1cnn3c(Cl)cc(C4CCCN(C(=O)OC(C)(C)C)C4)nc13)n2C(=O)OC(C)(C)C,MYWORJHSXAPXEQ-UHFFFAOYSA-N
-rxn:4:219691:225294,CCN1CCN(c2ncc(-c3cnn4c(Cl)cc(C5CCCN(C(=O)OC(C)(C)C)C5)nc34)cn2)CC1,GNKFJCOJGBWLFA-UHFFFAOYSA-N
-rxn:4:219704:225977,CC(C)(C)OC(=O)N1CCN(c2cnc3ccc(-c4cc(Cl)cnc4N4CCOCC4)cc3n2)CC1,SWCSWZWBNFMTSH-UHFFFAOYSA-N
-rxn:4:219716:222630,Cc1cc(N2CC3CN(C(=O)Cc4ccc(-c5cc(C6CCC6)nc(C6CCNCC6)c5)cc4)CC3C2)ncn1,SGBVCVKXMSUDMZ-UHFFFAOYSA-N
-rxn:4:219766:225355,COC(=O)c1ccc(-c2cncc(C(=O)N3CCC(Cn4nc5c(cc4=O)CCCC5)CC3)c2)c(C(F)(F)F)c1,XZCLBGNQFQBZER-UHFFFAOYSA-N
-rxn:4:219931:222699,O=S(=O)(C1CC1)N1CCCN(c2ncc(-c3ccc(C4CCCNC4)c(C(F)(F)F)c3)cn2)CC1,LGLJGHNTIHEQMS-UHFFFAOYSA-N
-rxn:4:219934:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cnc(N4CCOC(C(=O)N5CCCC5)C4)nc3)c2Cl)CC1,VGXKDRSDHRMAFZ-UHFFFAOYSA-N
-rxn:4:219955:223533,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cnc(N4CCOC(C(=O)N5CCSCC5)C4)nc3)c(F)c2)CC1,BHPOFFKKJLFHIN-UHFFFAOYSA-N
-rxn:4:219961:223902,Cc1ccc(N2CCN(C(=O)c3cccc(-c4ccc(OCCN5CCC(C)CC5)c(F)c4)c3)CC2)nn1,XHIPUNKJXGVHEW-UHFFFAOYSA-N
-rxn:4:219978:222465,Cc1ccnc(N2CCN(Cc3cccc(-c4cc(C5CCCCC5)nc(C5CCCNC5)c4)c3)CC2)n1,MFZJXBXSPPBYFL-UHFFFAOYSA-N
-rxn:4:219982:222466,Cc1ccc(N2CCN(Cc3ccc(-c4cc(C5CCCCC5)nc(C5CCNCC5)c4)cc3)CC2)nn1,INPRXVVIUBFWRV-UHFFFAOYSA-N
-rxn:4:220049:223669,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cn(CCN4CCOCC4)c4ncnc(Cl)c34)cn2)CC1,FPYGECUYIAMZLU-UHFFFAOYSA-N
-rxn:4:220120:224056,CCC[C@H]1CC[C@H](c2ccc(-c3ccc(C(=O)N4C5CCC4CC(n4ccnn4)C5)cc3)c(F)c2)CC1,OEXHAPTVDHYWQV-CNLRWUOLSA-N
-rxn:4:220136:222522,COc1ccc(-c2ccc3ncnc(N4CCN(S(=O)(=O)C5CC5)CC4)c3c2)cc1S(=O)(=O)N1CCC(O)CC1,BEGBBVQGQSWJTH-UHFFFAOYSA-N
-rxn:4:220149:226285,CC(C)COc1ccc(Cl)c(-c2ccc3c(N4CC(C(=O)N5CCOCC5)CC4=O)[nH]nc3c2)c1,YNFGZBYFOVAJAH-UHFFFAOYSA-N
-rxn:4:220154:223540,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1ccccc1C(=O)N1Cc2cnc(N3CCOCC3)nc2C1,IMWBGZSDEMHRQX-UHFFFAOYSA-N
-rxn:4:220204:225093,CCCOc1c(Cl)cc(-c2ccc3ncnc(N4CCOC(C(=O)N5CCOCC5)C4)c3c2)cc1OCC,BIYKFRXKESDUFA-UHFFFAOYSA-N
-rxn:4:220205:226259,CCCCOc1ccc(-c2ccc3nc(N4CCOC(C(=O)N5CCOCC5)C4)ncc3c2)cc1Cl,VXEPUIDTDTUNBF-UHFFFAOYSA-N
-rxn:4:220209:222997,O=S(=O)(c1ccccc1-c1ccc(Cl)cc1C1CCCNC1)N1CCCc2cnc(N3CCOCC3)nc21,BRVKKPYMCNPPMV-UHFFFAOYSA-N
-rxn:4:220225:222497,O=C(Nc1ccc(-c2ccc3ncnc(N4CCCC(C(=O)N5CCOCC5)C4)c3c2)cc1Cl)OCc1ccccc1,OOIYPASPOLKWGJ-UHFFFAOYSA-N
-rxn:4:220266:222530,Cc1ccccc1CNC(=O)c1cccc(-c2nc3c(=O)n(C)c(=O)n(C)c3n2CC(=O)C23CC4CC(CC(C4)C2)C3)c1,NFYBNNYUZGKKIC-UHFFFAOYSA-N
-rxn:4:220404:223945,CN1CCN(C(=O)c2cnn(C)c2-c2ccc(OCCCN3CCOCC3)c(F)c2)CC1,DXETWGVWZZCROL-UHFFFAOYSA-N
-rxn:4:220414:223542,Cc1c(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCN(C)CC3)c2)cnc(N2CCN(C)CC2)c1[N+](=O)[O-],SJNXTMZTPLJHLT-UHFFFAOYSA-N
-rxn:4:220414:223699,Cc1c(-c2ccc(S(=O)(=O)N3CCOCC3)cc2C(F)(F)F)cnc(N2CCN(C)CC2)c1[N+](=O)[O-],KIACGMUQKVJQRJ-UHFFFAOYSA-N
-rxn:4:220811:223533,CN1CCN(c2ccc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)cc3F)nn2)CC1,XKPUQZHGKZLSHS-UHFFFAOYSA-N
-rxn:4:221106:222439,COc1nccnc1N(C)CC1CCN(C(=O)c2cncc(-c3ccc(S(=O)(=O)NC4CCCCC4)cc3C(F)(F)F)c2)CC1,KEHDMRJXTNJERQ-UHFFFAOYSA-N
-rxn:4:221108:225172,Cc1ncn(CC(=O)N2CCC(COc3ncc(-c4cc(CN5CCOCC5)ccc4F)cn3)CC2)c(=O)c1C,WSPLAPOTTNGVRR-UHFFFAOYSA-N
-rxn:4:221115:223239,CCOc1ccc(-c2cncc(C3CCCN3)c2)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N3CCOCC3)n2)CC1,RDMXLEJISFPRRE-UHFFFAOYSA-N
-rxn:4:221127:222699,CCOC(=O)C1CCN(c2nc3c(S(=O)(=O)c4ccc(-c5ccc(C6CCCNC6)c(C(F)(F)F)c5)cc4)nnn3c3ccsc23)CC1,UHWULJYAJCHKKS-UHFFFAOYSA-N
-rxn:4:221127:223493,CCOC(=O)C1CCN(c2nc3c(S(=O)(=O)c4ccc(-c5cc(S(=O)(=O)N6CCN(C(=O)OC(C)(C)C)CC6)ccc5C)cc4)nnn3c3ccsc23)CC1,DONFWSREVUDJSM-UHFFFAOYSA-N
-rxn:4:221127:224652,CCOC(=O)C1CCN(c2nc3c(S(=O)(=O)c4ccc(-c5ccc(Cl)c(O[Si](C)(C)C(C)(C)C)c5)cc4)nnn3c3ccsc23)CC1,WXQWFXKPQNDPRS-UHFFFAOYSA-N
-rxn:4:221148:222693,N#Cc1cccnc1N1CCCC(COc2ncc(-c3ccc(S(=O)(=O)NC4CCCCC4)cc3)cn2)C1,SGONYNATTVNZNG-UHFFFAOYSA-N
-rxn:4:221171:222632,CCc1ncnc(N2CCCC(COc3ncc(-c4cccc(C(=O)NCCN5CCCC5)c4)cn3)C2)c1F,IJRPEDDPRBTEDW-UHFFFAOYSA-N
-rxn:4:221182:223987,COCCN1C(=O)CN(C2CCN(c3ncc(-c4ccc(Oc5ccc(C(F)(F)F)cc5)nc4)cn3)CC2)C1=O,MUNOJNUQPXPJFS-UHFFFAOYSA-N
-rxn:4:221237:223502,Cc1[nH]c2ccccc2c1C(=O)CSc1nnc2c(=O)n(-c3ccc(-c4ccc(C(=O)N5CCN(C(=O)OC(C)(C)C)CC5)c(F)c4)cc3)ccn12,GPFIXRMQWXHRAT-UHFFFAOYSA-N
-rxn:4:221249:223534,CC(C)(C)OC(=O)N1CCC(Oc2cc(-c3cnn4cc(-c5ccc(N6CCN(C(=O)OC(C)(C)C)CC6)cc5)cnc34)c(F)cn2)CC1,CPJSSPRINCSUTF-UHFFFAOYSA-N
-rxn:4:221267:222948,CCCCCn1c(=O)c2c(nc3n2CCCN3c2ccc(-c3cnc(N4CCC(O)CC4)nc3Cl)cc2)n(C)c1=O,SHBLYDOFAKGKBY-UHFFFAOYSA-N
-rxn:4:221374:223533,Cn1ccnc(N2CCCC(COc3ncc(-c4ccc(CN5CCN(C(=O)OC(C)(C)C)CC5)cc4F)cn3)C2)c1=O,IKVMONRIPMSXKS-UHFFFAOYSA-N
-rxn:4:221394:223839,COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cnc(N2CCC(Cn3nc(C4CC4)ccc3=O)CC2)nc1,PVUDWAMFLBZLSZ-UHFFFAOYSA-N
-rxn:4:221400:224351,CN(C)c1ccc(N2CCN(Cc3cccc(-c4ccc(C5CCCCO5)c(C(F)(F)F)c4)c3)CC2)nn1,LMOFOJGZHKHJNW-UHFFFAOYSA-N
-rxn:4:221404:224089,CC1CCN(CCOc2ccc(-c3cccc(CN4CCN(c5ccnc(N(C)C)n5)CC4)c3)cc2)CC1,KEXAEPYCFMRWFS-UHFFFAOYSA-N
-rxn:4:221411:224687,Cn1nc(C2CCN(C(=O)c3cncc(-c4cc(F)cc(CN5CCC(=O)CC5)c4)c3)CC2)n(C2CC2)c1=O,JAZCXPHYQWGZAV-UHFFFAOYSA-N
-rxn:4:221419:222466,CC(C)(C)c1ccc(=O)n(CC2CCN(c3ncc(-c4cc(C5CCCCC5)nc(C5CCNCC5)c4)cn3)CC2)n1,DVVCTYFBLJOHFU-UHFFFAOYSA-N
-rxn:4:221441:226180,Cc1cc(-c2cccc(CN3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)c2)cc(C2CCCC2)n1,DNHXLDOSOHAUBH-UHFFFAOYSA-N
-rxn:4:221444:222977,Cc1cc(N2CCOCC2)nc(N2CCN(Cc3ccccc3-c3cc(C(=O)NC4CC4)ccc3C)CC2)n1,HGGXSAKVIVAORW-UHFFFAOYSA-N
-rxn:4:221447:226479,CCCCOc1nccc(-c2ccc(CN3CCN(c4cc(C)nc(N5CCOCC5)n4)CC3)cc2)c1Cl,FNNWWFXIPHVWTL-UHFFFAOYSA-N
-rxn:4:221498:222790,CC(C)(C)OC(=O)Nc1cc(Cl)cc(-c2c[nH]c3ncnc(N4CCN(C(=O)OC(C)(C)C)CC4)c23)c1,SDEOAYZMBSGULB-UHFFFAOYSA-N
-rxn:4:221522:222546,COc1ccc2c(=O)n(CC3CCN(c4ncc(-c5ccc(OCCNC6CCCCC6)c(F)c5)cn4)CC3)cnc2c1,YCDRFAUUVHNYKR-UHFFFAOYSA-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:4:221633:224396,Cc1ccnc(N2CCN(c3ncc(C(F)(F)F)cc3-c3ccc(S(=O)(=O)N4CCOCC4)c(C)c3)CC2)n1,PEASFQDCYHPDJJ-UHFFFAOYSA-N
-rxn:4:221634:222631,Cc1ccnc(N2CCN(c3ncc(-c4cc(C5CCNCC5)nc(C(C)(C)C)c4)cc3C(F)(F)F)CC2)n1,CWQOIDMCSQRIQJ-UHFFFAOYSA-N
-rxn:4:221641:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3cnc(N4CCC(n5nc(C6CC6)ccc5=O)CC4)nc3)c2)CC1,KMYPQPQFXWZTKR-UHFFFAOYSA-N
-rxn:4:221702:224400,Cn1c(=O)c2c(nc(-c3ccc(N4CCOCC4)c(C(F)(F)F)c3)n2CCN2CCOCC2)n(C)c1=O,HLCWRQIOMWPFTJ-UHFFFAOYSA-N
-rxn:4:221721:223574,CC(C)(C)OC(=O)N1CCN(Cc2cccc(-c3cnc(N4CCC(Cn5cnc6ccccc6c5=O)CC4)nc3)c2)CC1,OQHPZFIGFZJXOR-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:4:221777:224060,COc1c(C(C)(C)C)cc(-c2ccc(N3CC(C)Cn4c3nc3c4c(=O)n(Cc4ccc(Cl)cc4)c(=O)n3C)cc2)cc1C(C)(C)C,SDLOLMSCVZQYRY-UHFFFAOYSA-N
-rxn:4:221832:224595,COc1cc(N2CCCC(C)C2)ccc1-c1cnc(N2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)nc1,RCODNIIFGZUAPP-UHFFFAOYSA-N
-rxn:4:221832:224598,COc1cc(N2CCC(C)CC2)ccc1-c1cnc(N2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)nc1,XMNUNBVNAPQRBQ-UHFFFAOYSA-N
-rxn:4:221832:224633,COc1ccc(CN2CCOCC2)cc1-c1cnc(N2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)nc1,IADHECBVVKZNQP-UHFFFAOYSA-N
-rxn:4:221832:224634,COc1ccc(-c2cnc(N3CCN(C4=NS(=O)(=O)c5ccccc54)CC3)nc2)cc1CN1CCOCC1,VENNRNNGXNVNTC-UHFFFAOYSA-N
-rxn:4:221832:224646,N#Cc1cc(-c2cnc(N3CCN(C4=NS(=O)(=O)c5ccccc54)CC3)nc2)ccc1OC1CCOCC1,SGNITLJJXVXVKE-UHFFFAOYSA-N
-rxn:4:221832:224656,COc1ccc(-c2cnc(N3CCN(C4=NS(=O)(=O)c5ccccc54)CC3)nc2)c(F)c1OC1CCCC1,SCWRPRGBZLZUGH-UHFFFAOYSA-N
-rxn:4:221836:224572,CC1CCCN(c2ccc(-c3cnc(N4CCCN(C5=NS(=O)(=O)c6ccccc65)CC4)nc3)c(C#N)c2)C1,MURLDGCIRAQEKP-UHFFFAOYSA-N
-rxn:4:221836:224589,CC1CCN(Cc2cc(F)ccc2-c2cnc(N3CCCN(C4=NS(=O)(=O)c5ccccc54)CC3)nc2)CC1,INXUQLFRGQUTDA-UHFFFAOYSA-N
-rxn:4:221836:224595,COc1cc(N2CCCC(C)C2)ccc1-c1cnc(N2CCCN(C3=NS(=O)(=O)c4ccccc43)CC2)nc1,CDOSNLVCGHRPSV-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:4:221836:224621,O=S1(=O)N=C(N2CCCN(c3ncc(-c4ccc(OCCN5CCSCC5)cc4)cn3)CC2)c2ccccc21,LJRPOQPKHPTHHB-UHFFFAOYSA-N
-rxn:4:221836:224634,COc1ccc(-c2cnc(N3CCCN(C4=NS(=O)(=O)c5ccccc54)CC3)nc2)cc1CN1CCOCC1,LXQSCYVZQUHEQD-UHFFFAOYSA-N
-rxn:4:221836:224646,N#Cc1cc(-c2cnc(N3CCCN(C4=NS(=O)(=O)c5ccccc54)CC3)nc2)ccc1OC1CCOCC1,OURFRMQEXPVTNF-UHFFFAOYSA-N
-rxn:4:221836:224659,CN1CCN(C(=O)c2cccc(-c3cnc(N4CCCN(C5=NS(=O)(=O)c6ccccc65)CC4)nc3)c2)CC1,LBGWPKSHROMBQP-UHFFFAOYSA-N
-rxn:4:221836:224660,CN1CCN(C(=O)c2ccc(-c3cnc(N4CCCN(C5=NS(=O)(=O)c6ccccc65)CC4)nc3)cc2)CC1,FZRUWJNWIWHOJQ-UHFFFAOYSA-N
-rxn:4:221836:224846,CCC1CCC(c2ccc(-c3cnc(N4CCCN(C5=NS(=O)(=O)c6ccccc65)CC4)nc3)cc2)CC1,JREORGJWNPTMJS-UHFFFAOYSA-N
-rxn:4:221836:225208,Cc1nc(N2CCCC(C)C2)ncc1-c1cnc(N2CCCN(C3=NS(=O)(=O)c4ccccc43)CC2)nc1,SMZPUTPBLCEHTM-UHFFFAOYSA-N
-rxn:4:221933:222700,CN(C(=O)c1cncc(-c2ccc(C(F)(F)F)cc2C2CCCNC2)c1)C1CN(c2nccnc2C#N)C1,HZXLRXPJEHJRLX-UHFFFAOYSA-N
-rxn:4:221933:223785,CCN1CCN(CCOc2ccc(-c3cncc(C(=O)N(C)C4CN(c5nccnc5C#N)C4)c3)cc2Cl)CC1,KDGQGYVRNOTTBF-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:4:221977:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cnc(OCC4CCCN(c5nccn6nc(C7CC7)cc56)C4)nc3)c2Cl)CC1,AYMKANSQDAITJM-UHFFFAOYSA-N
-rxn:4:221981:224609,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5cccc(-c6cnccc6C(=O)N(C(C)C)C(C)C)c5)no4)C3C2=O)cc1,ZPZHMRTVRNQZDY-UHFFFAOYSA-N
-rxn:4:221985:223480,Cc1cc(-c2cc3c(cn2)nc(-c2cnn(C)c2)n3[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cc(C)c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,GJBUPOSLGLSEKL-MUUNZHRXSA-N
-rxn:4:221985:223790,Cn1cc(-c2nc3cnc(-c4cncc(C5CCCN5C(=O)OC(C)(C)C)c4)cc3n2[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cn1,ZUPRJBSZPLZSRW-RXVAYIKUSA-N
-rxn:4:221985:223937,Cn1cc(-c2nc3cnc(-c4cc5cccc(Cl)c5n4C(=O)OC(C)(C)C)cc3n2[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cn1,CBUYUYGNAAQZPT-JOCHJYFZSA-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:4:222044:224010,COc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1ccc(S(=O)(=O)N2CCN(c3ccc(-n4ccc(C)n4)nn3)CC2)cc1,RKSPTOVLLRECKF-UHFFFAOYSA-N
-rxn:4:222045:223679,CCN1CCN(S(=O)(=O)c2c(C)cc(-c3cccc(S(=O)(=O)N4CCN(c5ccc(-n6ccc(C)n6)nn5)CC4)c3)cc2C)CC1,WBAZWLCXOAMWGU-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:4:222053:222854,CCc1cc(N2CCN(c3ncc(-c4cc(C5CCCNC5)ccc4OC)cn3)CC2)nc(C(C)(C)C)n1,ABRPGWCYNXYPRF-UHFFFAOYSA-N
-rxn:4:222075:223842,CC1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2cnn(CC3CN(c4nccn5nc(C6CC6)cc45)C3)c2)CC1,ZWTHBYQHQJPYIR-UHFFFAOYSA-N
-rxn:4:222149:222631,CC(C)(C)c1cc(-c2cnc(N3CCN(c4nccc(C(F)(F)F)n4)CC3)nc2)cc(C2CCNCC2)n1,HSBIZAICUALHOW-UHFFFAOYSA-N
-rxn:4:222167:223489,Cc1nc(C2CC2)nc(N2CCN(c3ncc(-c4ccc(S(=O)(=O)N5CCC(O[Si](C)(C)C(C)(C)C)CC5)cc4)cn3)CC2)c1C,BWAVPKKUFYQBMY-UHFFFAOYSA-N
-rxn:4:222167:223679,CCN1CCN(S(=O)(=O)c2c(C)cc(-c3cnc(N4CCN(c5nc(C6CC6)nc(C)c5C)CC4)nc3)cc2C)CC1,OAMAZGNSNCZGKF-UHFFFAOYSA-N
-rxn:4:222168:222719,FC(F)(F)c1cc(-c2cnc(N3CCN(c4cc(C5CCOCC5)ncn4)CC3)nc2)cc(C2CCCNC2)n1,ZWSBKVRZDLPJPW-UHFFFAOYSA-N
-rxn:4:222168:223648,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(N4CCN(c5cc(C6CCOCC6)ncn5)CC4)nc3)cc2)CC1,SWVIHVQXHQGXNN-UHFFFAOYSA-N
-rxn:4:222168:223886,CC(C)(C)OC(=O)N1CCc2c(cccc2-c2cnc(N3CCN(c4cc(C5CCOCC5)ncn4)CC3)nc2)C1,KVXYPWJAIGXEFF-UHFFFAOYSA-N
-rxn:4:222168:223933,CC(C)(C)OC(=O)n1c(-c2cnc(N3CCN(c4cc(C5CCOCC5)ncn4)CC3)nc2)cc2cc(F)ccc21,GLQCTWBELHHSRW-UHFFFAOYSA-N
-rxn:4:222169:223529,Cc1nc(N2CCN(c3ncc(-c4ccc(CN5CCN(C(=O)OC(C)(C)C)CC5)c(F)c4)cn3)CC2)cc(C(C)(C)C)n1,RCWWITPJPNROGI-UHFFFAOYSA-N
-rxn:4:222329:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCN(c5nccc(N6CCCC6)n5)CC4)nc3)cc2)CC1,OUNCGXJNOHIDTO-UHFFFAOYSA-N
-rxn:4:222331:223929,CC(C)(C)OC(=O)N1CCc2cc(-c3cnc(N4CCN(c5nccc(N6CCOCC6)n5)CC4)nc3)cnc2C1,SDSUVKJHOIVHHG-UHFFFAOYSA-N
-rxn:4:222338:223533,Cc1nc(N2CCOCC2)cc(N2CCN(c3ncc(-c4ccc(CN5CCN(C(=O)OC(C)(C)C)CC5)cc4F)cn3)CC2)n1,RTNRYHUDNZYKNJ-UHFFFAOYSA-N
-rxn:4:222460:174526,COc1cc(NS(=O)(=O)c2ccc(-c3ccc(O[Si](C(C)C)(C(C)C)C(C)C)c(Cl)c3C)cc2)ccc1F,GGBDIZRWNKICMD-UHFFFAOYSA-N
-rxn:4:222461:185079,CC(C)N(C(=O)OC(C)(C)C)c1ccc(-c2c(F)cc(F)c3sc(NC(=O)OC(C)(C)C)nc23)cc1,CFFPFWCFEMKZAQ-UHFFFAOYSA-N
-rxn:4:222613:187287,CCCNS(=O)(=O)c1ccc(-c2c(C)cccc2C(=O)N(C(C)C)C(C)C)c(C(F)(F)F)c1,LLEDAWCERKSSPK-UHFFFAOYSA-N
-rxn:4:222741:218695,Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCn3nc(C)c(-c4cc(C5CC5)nc(C5CCCNC5)c4)c3C)CC2)cc1,BLOJFKMHVOWMKW-UHFFFAOYSA-N
-rxn:4:222751:187847,Cc1ccc(-c2cc3c(cc2C(F)F)N(C(=O)OC(C)(C)C)CC3)cc1NC(=O)OC(C)(C)C,GCTZOFOUHAUBPY-UHFFFAOYSA-N
-rxn:4:222811:184207,CC(=O)c1c(C)oc2ccc(N(C(=O)c3ccccc3Cl)S(=O)(=O)c3ccc(-c4cc(Cl)nc(NC(=O)OC(C)(C)C)c4)cc3)cc12,SBVAIUDCORWKQV-UHFFFAOYSA-N
-rxn:4:222853:207890,Cc1c(-c2ccc(CN3CCC(O)CC3)cc2)cnn1CC12CC3CC(CC(C3)C1)C2,SHLIVKJVOWMYRZ-UHFFFAOYSA-N
-rxn:4:222881:178382,CC(C)(C)NC(=O)c1ccc(-c2cc(C(C)(C)C)c(C(C)(C)C)c(C(C)(C)C)c2)c(F)c1,AXISTHXTUWFVLQ-UHFFFAOYSA-N
-rxn:4:222943:187082,O=[N+]([O-])c1c(F)cc(-c2ccc(F)c(S(=O)(=O)NC3CC3)c2)cc1OCC1CCCCC1,CPJDVGIBUSDTOD-UHFFFAOYSA-N
-rxn:4:223082:187226,CNS(=O)(=O)c1c(C)cc(-c2ccc(N(C(=O)C(C)C)C3C=CS(=O)(=O)C3)cc2)cc1C,YBOFARNESHYVDA-UHFFFAOYSA-N
-rxn:4:223570:174141,COC(=O)c1ccc(OCC(C)C)c(-c2c(F)ncc3c2ccn3[Si](C(C)C)(C(C)C)C(C)C)c1,QRHPJVQIQNVQTQ-UHFFFAOYSA-N
-rxn:4:223570:199500,COC(=O)C(C(=O)OC(C)(C)C)c1ncc(-c2c(F)ncc3c2ccn3[Si](C(C)C)(C(C)C)C(C)C)cn1,UXVDROXUKWCFEB-UHFFFAOYSA-N
-rxn:4:223581:178039,COC(=O)c1cccc2cc(-c3ccc(C(=O)C(C)(C)C)c(C(F)(F)F)c3)n(C(=O)OC(C)(C)C)c12,MRCSFXANXSVMEP-UHFFFAOYSA-N
-rxn:4:223581:187053,COC(=O)c1cccc2cc(-c3c(F)cccc3C(=O)N(C(C)C)C(C)C)n(C(=O)OC(C)(C)C)c12,RDPXBXGUAQUKTQ-UHFFFAOYSA-N
-rxn:4:223582:184167,COC(=O)c1ccc2cc(-c3ccc4cc(CN(C(=O)OC(C)(C)C)C5CC5)ccc4c3)n(C(=O)OC(C)(C)C)c2c1,RWRSRHYNDWBFED-UHFFFAOYSA-N
-rxn:4:223641:185087,CCc1cc2c(cc1F)cc(-c1ccc(OC)cc1C(=O)N(C(C)C)C(C)C)n2C(=O)OC(C)(C)C,OUTDHYRNVTZRAL-UHFFFAOYSA-N
-rxn:5:177445:225607:225833,CC(C)=CCOc1ccc(-c2ccc(C(C)N3CCCCC3)s2)cc1-c1ccnc(N2CCCCC2)c1F,ROIOBWCBBOVACG-UHFFFAOYSA-N
-rxn:5:177732:223056:223065,CC(C)(C)OC(=O)c1ccc(-c2ccc(N3CCC(O)CC3)nc2)c(-c2ccc(N3CCNCC3)cc2F)c1,HDDFQPDZOLTTEC-UHFFFAOYSA-N
-rxn:5:177732:223294:225976,CC(C)(C)OC(=O)c1ccc(-c2csc(N3CCNCC3)n2)c(-c2ccnc(N3CCOCC3)c2F)c1,NRNCZZMIFWFIAS-UHFFFAOYSA-N
-rxn:5:177733:226060:225453,CC(C)(C)OC(=O)c1cc(-c2cccc(SC3CCCCC3)c2)cc(-c2cc(C3CC3)cc(C3CC3)c2)c1,ZQOWIRSNDIQTMU-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:5:177736:226794:225834,CC(C)(C)OC(=O)c1ccc(-c2cc(N3CCCCC3)ncc2F)c(-c2cnc(N3CCSCC3)nc2)c1,VTIXOUCTDHIWMH-UHFFFAOYSA-N
-rxn:5:177739:226190:225394,CC(C)(C)OC(=O)c1cccc(-c2ccc(C3CCCC3)cc2F)c1-c1cc(C2CCC2)cc(C2CC2)c1,AVTNGDNDZSFLTC-UHFFFAOYSA-N
-rxn:5:177891:228779:225935,COc1ccc(F)cc1-c1ccccc1C(=O)SC1CS(=O)(=O)CC1c1cc(C(C)C)nc(C(F)(F)F)c1,DUIHZYICHQMFLZ-UHFFFAOYSA-N
-rxn:5:178295:223145:228200,COC(=O)C1(c2cc(-c3ccnn3C3CCCC3)ccc2-c2ccc(C3CCC(=O)N3)cc2)CCC(=O)CC1,MJTFJCOPUSVTMA-UHFFFAOYSA-N
-rxn:5:178295:223229:223342,COC(=O)C1(c2cc(-c3ccc4c(c3)OCCN4)ccc2-c2cc(NC(C)=O)ccc2C)CCC(=O)CC1,WUXBTSXHQUPOKT-UHFFFAOYSA-N
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-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:5:182010:225832:226177,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2ccnc(C3CCCCC3)c2)ccc1C1CCOCC1,JQGAUQDUVJNLID-UHFFFAOYSA-N
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-rxn:5:188787:225833:227449,O=[N+]([O-])c1cc(-c2ccnc(N3CCCCC3)c2F)c(-c2ccc(C3CCOCC3)s2)cc1OC1CC1,OATZJCFHQUFPPA-UHFFFAOYSA-N
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-rxn:5:188787:225982:223136,O=[N+]([O-])c1cc(-c2cnc(N3CCOCC3)cc2F)c(-c2ccncc2C2CCCNC2)cc1OC1CC1,QNWVHGMGPVXGDV-UHFFFAOYSA-N
-rxn:5:188787:225982:223140,O=[N+]([O-])c1cc(-c2cnc(N3CCOCC3)cc2F)c(-c2ccnc(C3CCCNC3)c2)cc1OC1CC1,NBHJSZQYHRZKMB-UHFFFAOYSA-N
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-rxn:5:188931:227491:225600,COC(=O)c1cc(-c2cnc(OC3CCC3)nc2)cc(S(N)(=O)=O)c1-c1cccnc1OC1CCCCC1,YMSMUDFZZGRVSY-UHFFFAOYSA-N
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-rxn:5:189000:222958:225976,Cc1ccc(-c2cc(OC(C)C)c([N+](=O)[O-])cc2-c2ccnc(N3CCOCC3)c2F)cc1C1CCNCC1,QZLLALGSENUYSP-UHFFFAOYSA-N
-rxn:5:189000:225833:222958,Cc1ccc(-c2cc([N+](=O)[O-])c(OC(C)C)cc2-c2ccnc(N3CCCCC3)c2F)cc1C1CCNCC1,RBJAUIFCBGOBRA-UHFFFAOYSA-N
-rxn:5:189078:225982:223062,CCN(C)C(=O)c1cc(-c2cnc(N3CCOCC3)cc2F)ccc1-c1cnc(C2CCNCC2)cc1F,CRPAROPHFGPDBL-UHFFFAOYSA-N
-rxn:5:189079:223018:226030,CCN(C)C(=O)c1ccc(-c2cc(F)c(OC)c(C(F)(F)F)c2)c(-c2ccc3c(c2)NC(=O)C(C)(C)O3)c1,DCFZBEUOTFSUQI-UHFFFAOYSA-N
-rxn:5:189079:225976:225982,CCN(C)C(=O)c1ccc(-c2cnc(N3CCOCC3)cc2F)c(-c2ccnc(N3CCOCC3)c2F)c1,SLAXQLDYOWEINO-UHFFFAOYSA-N
-rxn:5:189079:225982:225976,CCN(C)C(=O)c1ccc(-c2ccnc(N3CCOCC3)c2F)c(-c2cnc(N3CCOCC3)cc2F)c1,FXCVLKSWMNTYGT-UHFFFAOYSA-N
-rxn:5:189079:226654:225849,CCN(C)C(=O)c1ccc(-c2cnc(N3CCCCC3)cc2F)c(-c2csc(N3CCC(C)CC3)n2)c1,CTANRTXWNXFXNB-UHFFFAOYSA-N
-rxn:5:189082:225601:225812,Cc1cc(-c2ccc(CC(=O)N(C)C)cc2-c2ccc(C3(C#N)CCC3)cc2F)c(F)c(OC(C)C)c1F,BKHGMQWYTUOUDZ-UHFFFAOYSA-N
-rxn:5:189083:225978:225657,CCN(C)C(=O)c1cccc(-c2ccc(N3CCOCC3)nc2F)c1-c1ccc(N2CCOCC2)c(C)c1,DFEHNWNZXJDIQW-UHFFFAOYSA-N
-rxn:5:189207:223263:223139,CNC(=O)c1ccc(F)c(-c2ccc(-c3ccc(C4CCNCC4)nc3)c(C(=O)ON3C(=O)CCC3=O)c2)c1,ADJMGOPIHRUSOS-UHFFFAOYSA-N
-rxn:5:189207:228567:223002,CCC(C)c1sccc1-c1ccc(-c2ccc(C3CCNCC3)cc2F)c(C(=O)ON2C(=O)CCC2=O)c1,FJFFUEXLTRNJHO-UHFFFAOYSA-N
-rxn:5:189207:228591:223063,CC(C)c1cnccc1-c1ccc(-c2cc(F)nc(C3CCNCC3)c2)c(C(=O)ON2C(=O)CCC2=O)c1,WCDVXKLWCMWNND-UHFFFAOYSA-N
-rxn:5:189207:228632:222960,Cc1cc(-c2ccc(-c3c(C)cc(C)nc3C)cc2C(=O)ON2C(=O)CCC2=O)cc(C2CCNCC2)c1,JMMCZHWVBUGSEG-UHFFFAOYSA-N
-rxn:5:189208:227682:223146,N#Cc1cc(-c2ccc(C(=O)ON3C(=O)CCC3=O)c(-c3cccc(C4CNCCO4)c3)c2)cc([N+](=O)[O-])c1,KXIRIAFNGLUSKC-UHFFFAOYSA-N
-rxn:5:189209:227810:223062,CCC(C)c1ccc(-c2cc(C(=O)ON3C(=O)CCC3=O)cc(-c3cnc(C4CCNCC4)cc3F)c2)cc1,LWWFLYZPFFRRST-UHFFFAOYSA-N
-rxn:5:189209:227810:223141,CCC(C)c1ccc(-c2cc(C(=O)ON3C(=O)CCC3=O)cc(-c3cncc(C4CCNCC4)c3)c2)cc1,VYRUNPFMRXHXKZ-UHFFFAOYSA-N
-rxn:5:189209:228235:223141,CC(C)c1c(-c2cc(C(=O)ON3C(=O)CCC3=O)cc(-c3cncc(C4CCNCC4)c3)c2)ccnc1F,HJTKHCKFPRKZCF-UHFFFAOYSA-N
-rxn:5:189209:228563:223002,CC(C)Cc1csc(-c2cc(C(=O)ON3C(=O)CCC3=O)cc(-c3ccc(C4CCNCC4)cc3F)c2)c1,IUAMXUJPGIEANX-UHFFFAOYSA-N
-rxn:5:189209:229167:222980,CN(C)c1nc(-c2cc(C(=O)ON3C(=O)CCC3=O)cc(-c3ccc(CN4CCNCC4)cc3)c2)cs1,COIALHGXXQZVLZ-UHFFFAOYSA-N
-rxn:5:189210:222405:227408,O=C1NC(=O)C(c2cccc(-c3cccc(-c4cc(C5CCC5)ncc4F)c3C(=O)ON3C(=O)CCC3=O)c2)N1,MPBAJHMWKHIORJ-UHFFFAOYSA-N
-rxn:5:189210:223015:226438,COC(=O)c1ccc2[nH]c(-c3cccc(-c4cnc(C5CCCC5)cc4F)c3C(=O)ON3C(=O)CCC3=O)cc2c1,RYXCKMHMGJQBOK-UHFFFAOYSA-N
-rxn:5:189210:228567:223002,CCC(C)c1sccc1-c1cccc(-c2ccc(C3CCNCC3)cc2F)c1C(=O)ON1C(=O)CCC1=O,MZIHBLLKKXTZHK-UHFFFAOYSA-N
-rxn:5:189210:228583:223008,CC(C)c1cc(-c2cccc(-c3cc(C4CCNCC4)ccc3F)c2C(=O)ON2C(=O)CCC2=O)ccn1,MRDUEUPNRQYQGZ-UHFFFAOYSA-N
-rxn:5:189210:228589:222980,CC(C)c1ccc(-c2cccc(-c3ccc(CN4CCNCC4)cc3)c2C(=O)ON2C(=O)CCC2=O)cn1,KEMLCXYGEKBYMN-UHFFFAOYSA-N
-rxn:5:189211:226059:228371,CC(C)c1ccc(-c2cccc(C(=O)ON3C(=O)CCC3=O)c2-c2ccc(F)c(C#N)c2F)c(C(C)C)c1,GZKYFLIGSLZCLJ-UHFFFAOYSA-N
-rxn:5:189212:223061:223015,COC(=O)c1ccc2[nH]c(-c3ccc(C(=O)ON4C(=O)CCC4=O)cc3-c3cc(C4CCNCC4)ncc3F)cc2c1,VSQODBXHKAEREJ-UHFFFAOYSA-N
-rxn:5:189212:223139:223263,CNC(=O)c1ccc(F)c(-c2ccc(C(=O)ON3C(=O)CCC3=O)cc2-c2ccc(C3CCNCC3)nc2)c1,NMUPZLXJAJIOTO-UHFFFAOYSA-N
-rxn:5:189212:227702:223139,COC(=O)c1cnc(F)c(-c2cc(C(=O)ON3C(=O)CCC3=O)ccc2-c2ccc(C3CCNCC3)nc2)c1,DRIIKJZWLUGSSY-UHFFFAOYSA-N
-rxn:5:189540:226374:226898,COC1CN(Cc2cc(-c3cncnc3C3CCCCC3)ccc2-c2cn(S(=O)(=O)N(C)C)nc2C)C1,ZMYYCTGXKFGLBV-UHFFFAOYSA-N
-rxn:5:189540:226572:226898,COC1CN(Cc2cc(-c3cnc(OC4CCCC4)nc3)ccc2-c2cn(S(=O)(=O)N(C)C)nc2C)C1,REBIBCQIJBTNGN-UHFFFAOYSA-N
-rxn:5:189662:223054:227287,COc1nc(C(C)C)ccc1-c1ncc(-c2ccc(C(C)N3CCC(O)C3)s2)cc1OCC1CCOCC1,WBHQOXZCKXGCAF-UHFFFAOYSA-N
-rxn:5:189665:223141:226898,Cc1nn(S(=O)(=O)N(C)C)cc1-c1cc(-c2cncc(C3CCNCC3)c2)cnc1OCC1CCOCC1,NDNPJRSHMSGFJI-UHFFFAOYSA-N
-rxn:5:189665:225636:227710,CC1CCN(c2cc(-c3cnc(OCC4CCOCC4)c(-c4ccc(OS(C)(=O)=O)cc4)c3)ccn2)CC1,ZYCWOKIBMKTDES-UHFFFAOYSA-N
-rxn:5:189665:226185:227119,c1cc(C2CCOCC2)ccc1-c1cnc(OCC2CCOCC2)c(-c2cc(C3CCCCC3)cs2)c1,XUVRVOIGRSRQEI-UHFFFAOYSA-N
-rxn:5:189668:225929:225620,Cc1cc(-c2cc(-c3ccc(OC4CCOCC4)cc3)ccc2CC(=O)N2CCCC2)ccc1S(=O)(=O)N(C)C,ODOOAXVOKGKSOZ-UHFFFAOYSA-N
-rxn:5:189675:225435:226447,CC(C)(C)S(=O)/N=C/c1cc(-c2ccnc(C3CCOCC3)c2)ccc1-c1ccccc1CN1CCCCC1,XURJEJGZUYIZGN-QCFMCPCVSA-N
-rxn:5:189675:226395:226135,Cc1cc(C#N)c(C2CC2)cc1-c1ccc(-c2cncc(N3CCCCC3)c2)c(/C=N/S(=O)C(C)(C)C)c1,JMOTUPWGLWXHCD-JEPNHJGPSA-N
-rxn:5:189718:226069:223438,O=[N+]([O-])c1cc(-c2cn[nH]c2C(F)(F)F)c(-c2cccc(C3CCCCC3)c2)cc1OC1CCOCC1,JFGIRBHBKBMJBA-UHFFFAOYSA-N
-rxn:5:189718:226911:227117,CCc1cc(C)cc(CC)c1-c1cc(OC2CCOCC2)c([N+](=O)[O-])cc1-c1cc(C2CC2)cc(C)c1F,XWURELRCTRYVFG-UHFFFAOYSA-N
-rxn:5:189718:227450:223239,O=[N+]([O-])c1cc(-c2cncc(C3CCCN3)c2)c(-c2cccc(C3CC3(F)F)c2)cc1OC1CCOCC1,UFKBGKUXLMIQCP-UHFFFAOYSA-N
-rxn:5:189777:226042:226869,O=[N+]([O-])c1ccc(-c2cc(-c3cc(F)cc(OC(F)(F)F)c3)ccc2CCN2CCCC2)c(C(F)(F)F)c1,CJNSRINNRQTFBZ-UHFFFAOYSA-N
-rxn:5:189778:225585:226180,Cc1cc(-c2ccc(-c3ccccc3CN3CCOCC3)cc2CCN2CCCC2)cc(C2CCCC2)n1,ZERICCTZGOWXRH-UHFFFAOYSA-N
-rxn:5:189826:223054:226032,COc1cc(-c2ccc(CC(=O)N3CCOCC3)c(-c3ccc(C(C)N4CCC(O)C4)s3)c2)c(F)c(C(F)(F)F)c1,GBQSKYQUWGOJCB-UHFFFAOYSA-N
-rxn:5:189829:226135:228497,COc1c(-c2cc(C3CC3)c(C#N)cc2C)cc(C(=O)N2CCCC2)cc1-c1ccnn1CC(F)(F)F,MKTGQHIJOLCNLP-UHFFFAOYSA-N
-rxn:5:189908:226432:227804,O=[N+]([O-])c1cc(-c2ncc(-c3ccc(C4CCCC4)nc3F)cc2OCC2CCCCC2)c([N+](=O)[O-])s1,PERFRDNXVGQQJJ-UHFFFAOYSA-N
-rxn:5:189908:226437:227804,O=[N+]([O-])c1cc(-c2ncc(-c3cc(C4CCCC4)ncc3F)cc2OCC2CCCCC2)c([N+](=O)[O-])s1,CQGPPONHJYNTMJ-UHFFFAOYSA-N
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-rxn:5:189908:227804:225674,O=[N+]([O-])c1cc(-c2cnc(-c3cnc(C4CCCCC4)cc3F)c(OCC3CCCCC3)c2)c([N+](=O)[O-])s1,MHHCFJFTHIDWER-UHFFFAOYSA-N
-rxn:5:189908:227804:225677,O=[N+]([O-])c1cc(-c2cnc(-c3ccc(C4CCCCC4)nc3F)c(OCC3CCCCC3)c2)c([N+](=O)[O-])s1,XZZSBKYZVGGUOD-UHFFFAOYSA-N
-rxn:5:189908:227804:226432,O=[N+]([O-])c1cc(-c2cnc(-c3ccc(C4CCCC4)nc3F)c(OCC3CCCCC3)c2)c([N+](=O)[O-])s1,SSCSTRJBXRULQD-UHFFFAOYSA-N
-rxn:5:189909:226366:225982,Fc1cc(N2CCOCC2)ncc1-c1ccc(-c2ccnc(N3CCCCC3)c2)c(CCN2CCOCC2)c1,CIOFZFHVUGSNDX-UHFFFAOYSA-N
-rxn:5:189952:223006:227491,COc1c(-c2cnc(OC3CCC3)nc2)cc(C(=O)N2CCOCC2)cc1-c1ccc(F)c(C2CCNCC2)c1,WOYLHATXEFBXHW-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:5:189952:226571:225976,COc1c(-c2cnn(CC3CCOCC3)c2)cc(C(=O)N2CCOCC2)cc1-c1ccnc(N2CCOCC2)c1F,DHFPJMVUMKYIGM-UHFFFAOYSA-N
-rxn:5:190000:223135:223001,O=C(Cc1ccc(-c2cc(C3CCCNC3)ccc2F)cc1-c1cccnc1C1CCCNC1)N1CCCCC1,QGKRNMBZVWFEGA-UHFFFAOYSA-N
-rxn:5:190127:228254:225931,COc1ccc(-c2ccc(-c3cc(C)cc(S(=O)(=O)N(C)C)c3)c(C(=O)N3CCC(OC)CC3)c2)c(C)c1F,QLNOFQJWOVFWOV-UHFFFAOYSA-N
-rxn:5:190128:223200:226139,COC1CCN(C(=O)c2ccc(-c3ccc(C4CCNC4)cc3)c(-c3cc(C4CC4)cnc3C3CC3)c2)CC1,UGQZRPSCWHLZLU-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:5:190131:225924:228408,COc1cc(F)c(-c2cc(C(=O)N3CCCCC3)cc(-c3ccc(S(=O)(=O)N(C)C)cc3C)c2OC)cc1F,WHQJFLDDQMVFPQ-UHFFFAOYSA-N
-rxn:5:190131:227901:225944,COc1c(-c2ccc(CC(C)C)nc2)cc(C(=O)N2CCCCC2)cc1-c1c(F)cc(F)c(OC(C)C)c1F,LWDLKFJUKXMKBG-UHFFFAOYSA-N
-rxn:5:190131:228801:225454,COc1c(-c2ccc(C3=CCN(C)CC3)cc2)cc(C(=O)N2CCCCC2)cc1-c1ccc(F)cc1SC,FUCWPVHMBAWGCJ-UHFFFAOYSA-N
-rxn:5:190132:226875:225811,COC1CCN(C(=O)c2ccc(-c3cc(F)c(OC(F)F)cc3F)cc2-c2ccc(C3(C(F)(F)F)CC3)cc2)CC1,GMMHEUDOMXXNHR-UHFFFAOYSA-N
-rxn:5:190132:227587:227052,COc1cc(-c2ccc(C(=O)N3CCC(OC)CC3)c(-c3ccc(SC(C)(C)C)cc3)c2)cc(F)c1OC,RXZCMSJWZRDYCE-UHFFFAOYSA-N
-rxn:5:190194:226735:225439,COC1CCN(Cc2cccc(-c3cc(C#N)cc(C(F)(F)F)c3)c2-c2cccc(C(C)N3CCCC3)c2)CC1,XDLVFJFLGVEENN-UHFFFAOYSA-N
-rxn:5:190194:227803:226572,COC1CCN(Cc2cccc(-c3ccnn3S(=O)(=O)N(C)C)c2-c2cnc(OC3CCCC3)nc2)CC1,MJACWDSUMWACON-UHFFFAOYSA-N
-rxn:5:190194:227803:227491,COC1CCN(Cc2cccc(-c3ccnn3S(=O)(=O)N(C)C)c2-c2cnc(OC3CCC3)nc2)CC1,ZKLSHEJWDVAXQC-UHFFFAOYSA-N
-rxn:5:190195:222417:223006,CC(C)c1[nH]c(=O)ncc1-c1ccc(CN(C)C2CCOCC2)cc1-c1ccc(F)c(C2CCNCC2)c1,CEBKYELPVIITJW-UHFFFAOYSA-N
-rxn:5:190195:223006:228366,CN(C)c1ncc(-c2cc(CN(C)C3CCOCC3)ccc2-c2ccc(F)c(C3CCNCC3)c2)cc1F,HGUPYSVCVCFUQN-UHFFFAOYSA-N
-rxn:5:190195:225655:227387,CC1CCN(c2cncc(-c3ccc(CN(C)C4CCOCC4)cc3-c3ccnc(N4CCCC4)c3)c2)CC1,BDXAPTSCYVYEFH-UHFFFAOYSA-N
-rxn:5:190195:228206:223063,CN(C)c1cc(F)cc(-c2ccc(CN(C)C3CCOCC3)cc2-c2cc(F)nc(C3CCNCC3)c2)c1,APKVUQWLQAQPBA-UHFFFAOYSA-N
-rxn:5:190195:228363:225980,CN(C)c1cc(F)c(-c2ccc(CN(C)C3CCOCC3)cc2-c2cc(N3CCOCC3)ncc2F)cn1,QSUMEEISUBTIJH-UHFFFAOYSA-N
-rxn:5:190195:228366:223006,CN(C)c1ncc(-c2ccc(CN(C)C3CCOCC3)cc2-c2ccc(F)c(C3CCNCC3)c2)cc1F,YHILTXSVIYLEOM-UHFFFAOYSA-N
-rxn:5:190196:223006:228366,CN(C)c1ncc(-c2cc(-c3ccc(F)c(C4CCNCC4)c3)ccc2CN(C)C2CCOCC2)cc1F,GLEPNTOKSMGNAF-UHFFFAOYSA-N
-rxn:5:190196:223061:227778,CN(Cc1ccc(-c2cc(C3CCNCC3)ncc2F)cc1-c1cc(F)cc(F)c1[N+](=O)[O-])C1CCOCC1,PTXVHBFALKEACF-UHFFFAOYSA-N
-rxn:5:190197:223058:228206,CN(C)c1cc(F)cc(-c2ccc(CN(C)C3CCOCC3)c(-c3cc(F)nc(C4CCCNC4)c3)c2)c1,DXQHEQOBJOUBQB-UHFFFAOYSA-N
-rxn:5:190197:223063:228206,CN(C)c1cc(F)cc(-c2ccc(CN(C)C3CCOCC3)c(-c3cc(F)nc(C4CCNCC4)c3)c2)c1,POUBLVPVHWNNJU-UHFFFAOYSA-N
-rxn:5:190198:223006:228366,CN(C)c1ncc(-c2cccc(-c3ccc(F)c(C4CCNCC4)c3)c2CN(C)C2CCOCC2)cc1F,JOOJKGOPKHOFSE-UHFFFAOYSA-N
-rxn:5:190198:223062:228202,CN(C)c1cc(-c2cccc(-c3cnc(C4CCNCC4)cc3F)c2CN(C)C2CCOCC2)ccc1F,BYCBNHXBWDRRQK-UHFFFAOYSA-N
-rxn:5:190198:228361:225982,CN(C)c1cc(-c2cccc(-c3cnc(N4CCOCC4)cc3F)c2CN(C)C2CCOCC2)c(F)cn1,ABRUSPCBPLYNFD-UHFFFAOYSA-N
-rxn:5:190198:228366:225849,CN(C)c1ncc(-c2cccc(-c3cnc(N4CCCCC4)cc3F)c2CN(C)C2CCOCC2)cc1F,ABDVSIRUSLNERB-UHFFFAOYSA-N
-rxn:5:190198:228366:225978,CN(C)c1ncc(-c2cccc(-c3ccc(N4CCOCC4)nc3F)c2CN(C)C2CCOCC2)cc1F,UZTVCMJSWAXPKT-UHFFFAOYSA-N
-rxn:5:190198:228366:225980,CN(C)c1ncc(-c2cccc(-c3cc(N4CCOCC4)ncc3F)c2CN(C)C2CCOCC2)cc1F,HNRVAQLAKHYXPL-UHFFFAOYSA-N
-rxn:5:190199:223006:228366,CN(C)c1ncc(-c2ccc(-c3ccc(F)c(C4CCNCC4)c3)c(CN(C)C3CCOCC3)c2)cc1F,XTPGXNARBAQJOK-UHFFFAOYSA-N
-rxn:5:190199:223058:228694,CCN(C)c1csc(-c2ccc(-c3cc(F)nc(C4CCCNC4)c3)c(CN(C)C3CCOCC3)c2)c1,NDQJRABAJCAJQN-UHFFFAOYSA-N
-rxn:5:190199:223064:228202,CN(C)c1cc(-c2ccc(-c3ccc(C4CCNCC4)nc3F)c(CN(C)C3CCOCC3)c2)ccc1F,SZZCIBQRKWPOEF-UHFFFAOYSA-N
-rxn:5:190199:225597:226049,CN(Cc1cc(-c2cc(F)c(OC(F)(F)F)c(F)c2)ccc1-c1ccc(OC2CCCCC2)nc1)C1CCOCC1,RZINYNRPFWKNLS-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:5:190199:225978:228361,CN(C)c1cc(-c2ccc(-c3ccc(N4CCOCC4)nc3F)c(CN(C)C3CCOCC3)c2)c(F)cn1,RSUQYDOXLHESEU-UHFFFAOYSA-N
-rxn:5:190199:225982:228363,CN(C)c1cc(F)c(-c2ccc(-c3cnc(N4CCOCC4)cc3F)c(CN(C)C3CCOCC3)c2)cn1,VCHBMSCXZVRAKJ-UHFFFAOYSA-N
-rxn:5:190199:228366:223006,CN(C)c1ncc(-c2ccc(-c3ccc(F)c(C4CCNCC4)c3)cc2CN(C)C2CCOCC2)cc1F,RPDPIUSSVMDJQG-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:5:190200:223006:228366,CN(C)c1ncc(-c2cc(CN(C)C3CCOCC3)cc(-c3ccc(F)c(C4CCNCC4)c3)c2)cc1F,IAKFYCRGIXXXEZ-UHFFFAOYSA-N
-rxn:5:190200:223058:228206,CN(C)c1cc(F)cc(-c2cc(CN(C)C3CCOCC3)cc(-c3cc(F)nc(C4CCCNC4)c3)c2)c1,GIKOTRRFOYNETK-UHFFFAOYSA-N
-rxn:5:190200:223063:228206,CN(C)c1cc(F)cc(-c2cc(CN(C)C3CCOCC3)cc(-c3cc(F)nc(C4CCNCC4)c3)c2)c1,FQVAGGOYFYHVJO-UHFFFAOYSA-N
-rxn:5:190200:225833:228694,CCN(C)c1csc(-c2cc(CN(C)C3CCOCC3)cc(-c3ccnc(N4CCCCC4)c3F)c2)c1,GVRVEABWLLROGC-UHFFFAOYSA-N
-rxn:5:190200:225849:228694,CCN(C)c1csc(-c2cc(CN(C)C3CCOCC3)cc(-c3cnc(N4CCCCC4)cc3F)c2)c1,SVGAIEJVYMLDNL-UHFFFAOYSA-N
-rxn:5:190200:226427:226662,CC1CCN(c2csc(-c3cc(CN(C)C4CCOCC4)cc(-c4ccc(N5CCN(C)CC5)s4)c3)c2)CC1,ULFOYDVCNHPTRW-UHFFFAOYSA-N
-rxn:5:190200:226654:227299,CC1CCN(c2nc(-c3cc(CN(C)C4CCOCC4)cc(-c4cc(F)cc(CN(C)C)c4)c3)cs2)CC1,ZKSZJGZMCMGGBP-UHFFFAOYSA-N
-rxn:5:190200:228361:225982,CN(C)c1cc(-c2cc(CN(C)C3CCOCC3)cc(-c3cnc(N4CCOCC4)cc3F)c2)c(F)cn1,BSBJMQOYLCCYHF-UHFFFAOYSA-N
-rxn:5:190231:222981:226441,COc1c(-c2ccnc(NC3CCCCC3)c2)cc(C(=O)N2CCOC(C)C2)cc1-c1ccc(N2CCCC2)cc1F,UAQWFVOJPNYPGH-UHFFFAOYSA-N
-rxn:5:190264:226347:227108,Cc1cc(-c2cc(CC(=O)N3CCC(C)CC3)ccc2-c2cc(C3CCC3)ccc2F)c(OC(C)C)cc1F,AUBAHJKZMIDYRJ-UHFFFAOYSA-N
-rxn:5:190264:226765:227983,COC(=O)c1ccc(-c2cc(CC(=O)N3CCC(C)CC3)ccc2-c2ccccc2[Si](C)(C)C)c(F)c1F,VRDCVRQFXPMKRV-UHFFFAOYSA-N
-rxn:5:190264:228692:223062,CC1CCN(C(=O)Cc2ccc(-c3cnc(C4CCNCC4)cc3F)c(-c3ccc(CN(C)C)s3)c2)CC1,QXKMUHWPHAXGSD-UHFFFAOYSA-N
-rxn:5:190265:225499:225886,CC1CCCN(C(=O)Cc2ccc(-c3ccc4c(ccn4S(C)(=O)=O)c3)c(-c3ccc(C4CCCCC4)cc3F)c2)C1,OTYLXUHSWBFOSU-UHFFFAOYSA-N
-rxn:5:190265:225886:226190,CC1CCCN(C(=O)Cc2ccc(-c3ccc(C4CCCC4)cc3F)c(-c3ccc4c(ccn4S(C)(=O)=O)c3)c2)C1,LIAWIOUZIIPOHL-UHFFFAOYSA-N
-rxn:5:190307:226665:227710,CC1CCN(CCc2cc(-c3cnc(C4CCCOC4)nc3)ccc2-c2ccc(OS(C)(=O)=O)cc2)CC1,PSQSRMHEJLUQFW-UHFFFAOYSA-N
-rxn:5:190307:227710:226665,CC1CCN(CCc2cc(-c3ccc(OS(C)(=O)=O)cc3)ccc2-c2cnc(C3CCCOC3)nc2)CC1,MCPYQYWECQAEMZ-UHFFFAOYSA-N
-rxn:5:190307:228692:223062,CC1CCN(CCc2cc(-c3ccc(CN(C)C)s3)ccc2-c2cnc(C3CCNCC3)cc2F)CC1,AGYXYGHZBZIFHA-UHFFFAOYSA-N
-rxn:5:190308:225394:225886,CC1CCCN(CCc2cc(-c3cc(C4CCC4)cc(C4CC4)c3)ccc2-c2ccc3c(ccn3S(C)(=O)=O)c2)C1,GVEACRZMSKRYTE-UHFFFAOYSA-N
-rxn:5:190335:225585:226608,COc1c(-c2ccccc2CN2CCOCC2)cc(C(=O)N2CCCCC2C)cc1-c1ccc(F)c(F)c1OC(C)C,XTZDWSKGPAPDQB-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:5:190484:227045:227409,CC(C)(C)Sc1cccc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4cc(C(C)(C)C)ncc4F)S(=O)(=O)CC3)c2)c1,VTQGCQGWUBPPCC-UHFFFAOYSA-N
-rxn:5:190484:227102:227409,CC(C)(C)c1ccc(F)c(-c2cccc(C(=O)N3CCC(c4ccccc4-c4cc(C(C)(C)C)ncc4F)S(=O)(=O)CC3)c2)c1,VLYJDXXDABREAK-UHFFFAOYSA-N
-rxn:5:190740:223056:225833,CCOC(=O)c1cnc2c(C)cc(-c3ccc(N4CCC(O)CC4)nc3)cc2c1-c1ccnc(N2CCCCC2)c1F,LXIMPJHKYPPHAO-UHFFFAOYSA-N
-rxn:5:190740:225849:225655,CCOC(=O)c1cnc2c(C)cc(-c3cnc(N4CCCCC4)cc3F)cc2c1-c1cncc(N2CCC(C)CC2)c1,VJGWLPVPEQCNGV-UHFFFAOYSA-N
-rxn:5:190740:225849:225784,CCOC(=O)c1cnc2c(C)cc(-c3cnc(N4CCCCC4)cc3F)cc2c1-c1ccc(CN2CCOCC2)nc1,LZZRMCQFQSDEMV-UHFFFAOYSA-N
-rxn:5:190741:223056:225833,CCOC(=O)c1cnc2c(-c3ccc(N4CCC(O)CC4)nc3)cc(C)cc2c1-c1ccnc(N2CCCCC2)c1F,YZFNWBGORCBPDR-UHFFFAOYSA-N
-rxn:5:190741:225639:223063,CCOC(=O)c1cnc2c(-c3cccnc3N3CCC(C)CC3)cc(C)cc2c1-c1cc(F)nc(C2CCNCC2)c1,BHXBWEBHUKRYQM-UHFFFAOYSA-N
-rxn:5:190741:225655:223064,CCOC(=O)c1cnc2c(-c3cncc(N4CCC(C)CC4)c3)cc(C)cc2c1-c1ccc(C2CCNCC2)nc1F,CBYVLCOYHUBKJQ-UHFFFAOYSA-N
-rxn:5:190741:225655:225849,CCOC(=O)c1cnc2c(-c3cncc(N4CCC(C)CC4)c3)cc(C)cc2c1-c1cnc(N2CCCCC2)cc1F,KGBPYHFSFGNIPF-UHFFFAOYSA-N
-rxn:5:190741:225834:225784,CCOC(=O)c1cnc2c(-c3cc(N4CCCCC4)ncc3F)cc(C)cc2c1-c1ccc(CN2CCOCC2)nc1,AMNBLKCKHXZBBR-UHFFFAOYSA-N
-rxn:5:190741:225849:225834,CCOC(=O)c1cnc2c(-c3cnc(N4CCCCC4)cc3F)cc(C)cc2c1-c1cc(N2CCCCC2)ncc1F,JCEMPMBROWPSOU-UHFFFAOYSA-N
-rxn:5:190741:225976:225633,CCOC(=O)c1cnc2c(-c3ccnc(N4CCOCC4)c3F)cc(C)cc2c1-c1ccc(N2CCCCCC2)nc1,JMZWPMITVVNECD-UHFFFAOYSA-N
-rxn:5:190742:223056:225655,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(N4CCC(O)CC4)nc3)c2c1-c1cncc(N2CCC(C)CC2)c1,RTWIHZPXNJHBGG-UHFFFAOYSA-N
-rxn:5:190742:225655:223062,CCOC(=O)c1cnc2c(C)ccc(-c3cncc(N4CCC(C)CC4)c3)c2c1-c1cnc(C2CCNCC2)cc1F,UAPUGQVHBGETFP-UHFFFAOYSA-N
-rxn:5:190742:225982:225834,CCOC(=O)c1cnc2c(C)ccc(-c3cnc(N4CCOCC4)cc3F)c2c1-c1cc(N2CCCCC2)ncc1F,YNRXDEJDHHJYMC-UHFFFAOYSA-N
-rxn:5:190743:225849:223056,CCOC(=O)c1cnc2c(C)c(-c3cnc(N4CCCCC4)cc3F)ccc2c1-c1ccc(N2CCC(O)CC2)nc1,KMEQCTBZVHMVAC-UHFFFAOYSA-N
-rxn:5:190743:225881:225655,CCOC(=O)c1cnc2c(C)c(-c3ccc(C4CCOCC4)nc3F)ccc2c1-c1cncc(N2CCC(C)CC2)c1,AHWQRVAKARPUTA-UHFFFAOYSA-N
-rxn:5:190743:225976:225656,CCOC(=O)c1cnc2c(C)c(-c3ccnc(N4CCOCC4)c3F)ccc2c1-c1cncc(N2CCCCC2C)c1,LOCOFLKKNDXFLW-UHFFFAOYSA-N
-rxn:5:190743:225976:225976,CCOC(=O)c1cnc2c(C)c(-c3ccnc(N4CCOCC4)c3F)ccc2c1-c1ccnc(N2CCOCC2)c1F,MVYIWOMLXRLFOH-UHFFFAOYSA-N
-rxn:5:190744:223056:225833,CCOC(=O)c1cnc2c(-c3ccc(N4CCC(O)CC4)nc3)c(C)ccc2c1-c1ccnc(N2CCCCC2)c1F,YPHLKRDGLHATIV-UHFFFAOYSA-N
-rxn:5:190744:225881:225976,CCOC(=O)c1cnc2c(-c3ccc(C4CCOCC4)nc3F)c(C)ccc2c1-c1ccnc(N2CCOCC2)c1F,ZDCGYRQOSWMQLE-UHFFFAOYSA-N
-rxn:5:190832:223056:225833,CCOC(=O)c1cnc2cc(C)c(-c3ccc(N4CCC(O)CC4)nc3)c(C)c2c1-c1ccnc(N2CCCCC2)c1F,WJYFMDHFUVHPAK-UHFFFAOYSA-N
-rxn:5:190832:226663:225849,CCOC(=O)c1cnc2cc(C)c(-c3ccc(N4CCSCC4)nc3)c(C)c2c1-c1cnc(N2CCCCC2)cc1F,MKYRTNGYZBSOQD-UHFFFAOYSA-N
-rxn:5:190833:227446:228415,CC(C)(C)OC(=O)N1Cc2c(-c3cc(F)ccc3C(F)F)ccc(-c3ccc(C4OCCO4)cc3)c2C1=O,IGCLJRJRXQFWNY-UHFFFAOYSA-N
-rxn:5:190998:227376:226395,COC(=O)c1cc(-c2cncc(N3CCCCC3)c2)ccc1N1Cc2cc(-c3cncc(N4CCCC4)c3)ccc2OCC1=O,ANTNIXMFPMAJPM-UHFFFAOYSA-N
-rxn:5:191026:227076:227841,CCC(C)c1ccc(F)c(-c2ccc3c(c2)N(c2ccc(C)c(-c4c(C)c(C)cc(C)c4C)c2)C=C(C(=O)OC)S3(=O)=O)c1,TWGIFZWNFLDRBS-UHFFFAOYSA-N
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-rxn:5:191049:226366:225976,COc1cc(N2Cc3cc(-c4ccnc(N5CCCCC5)c4)ccc3OCC2=O)c(OC)cc1-c1ccnc(N2CCOCC2)c1F,NRFPGNPQUXTSMI-UHFFFAOYSA-N
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-rxn:5:193506:226427:227517,CC1CCN(c2csc(-c3ccc(S(=O)(=O)N4CCC(=O)CC4)c(-c4ccc(OC5COC5)nc4)c3)c2)CC1,IIWULARDIZNQTK-UHFFFAOYSA-N
-rxn:5:193506:226428:227517,CC1CCCCN1c1csc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3ccc(OC4COC4)nc3)c2)c1,KOHWJXGSADOMTC-UHFFFAOYSA-N
-rxn:5:193506:226665:225577,N#Cc1cc(N2CCCC2)ccc1-c1cc(-c2cnc(C3CCCOC3)nc2)ccc1S(=O)(=O)N1CCC(=O)CC1,VTNQVKPJINZZMC-UHFFFAOYSA-N
-rxn:5:193506:227449:222958,Cc1ccc(-c2cc(-c3ccc(C4CCOCC4)s3)ccc2S(=O)(=O)N2CCC(=O)CC2)cc1C1CCNCC1,VRLSBVZDCMOZCL-UHFFFAOYSA-N
-rxn:5:193506:227449:225577,N#Cc1cc(N2CCCC2)ccc1-c1cc(-c2ccc(C3CCOCC3)s2)ccc1S(=O)(=O)N1CCC(=O)CC1,QRUBHSFYFDSWAD-UHFFFAOYSA-N
-rxn:5:193506:227491:222958,Cc1ccc(-c2cc(-c3cnc(OC4CCC4)nc3)ccc2S(=O)(=O)N2CCC(=O)CC2)cc1C1CCNCC1,ZWHIMEVBEQEYGH-UHFFFAOYSA-N
-rxn:5:193506:227491:227491,O=C1CCN(S(=O)(=O)c2ccc(-c3cnc(OC4CCC4)nc3)cc2-c2cnc(OC3CCC3)nc2)CC1,HZYCGNWWYSKUFI-UHFFFAOYSA-N
-rxn:5:193506:227517:226427,CC1CCN(c2csc(-c3cc(-c4ccc(OC5COC5)nc4)ccc3S(=O)(=O)N3CCC(=O)CC3)c2)CC1,XQTWZBBQWVDRHM-UHFFFAOYSA-N
-rxn:5:193506:228589:222958,Cc1ccc(-c2cc(-c3ccc(C(C)C)nc3)ccc2S(=O)(=O)N2CCC(=O)CC2)cc1C1CCNCC1,GZYGGTFNWXBMRK-UHFFFAOYSA-N
-rxn:5:193506:228692:223141,CN(C)Cc1ccc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3cncc(C4CCNCC4)c3)c2)s1,JJTUVLUKGNOLGS-UHFFFAOYSA-N
-rxn:5:193506:228692:226665,CN(C)Cc1ccc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3cnc(C4CCCOC4)nc3)c2)s1,LIYWCWFHLIKXII-UHFFFAOYSA-N
-rxn:5:193681:222985:227710,Cc1nc(C2CCCNC2)ccc1-c1ccc(-c2ccc(OS(C)(=O)=O)cc2)c(OC2CCN(C)CC2)c1,RYOVMUXIOUWRRJ-UHFFFAOYSA-N
-rxn:5:193681:222986:227710,Cc1cc(-c2ccc(-c3ccc(OS(C)(=O)=O)cc3)c(OC3CCN(C)CC3)c2)cc(C2CCCNC2)n1,SUFNJGXLZBQKEF-UHFFFAOYSA-N
-rxn:5:193681:222987:227710,Cc1nc(C2CCNCC2)ccc1-c1ccc(-c2ccc(OS(C)(=O)=O)cc2)c(OC2CCN(C)CC2)c1,KOJFQLVXJYLWAV-UHFFFAOYSA-N
-rxn:5:193681:227710:222996,CN1CCC(Oc2cc(-c3ccc(OS(C)(=O)=O)cc3)ccc2-c2ccc(F)cc2C2CCCNC2)CC1,SNTKNUGXBSVQQS-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:5:193710:227297:222987,Cc1nc(C2CCNCC2)ccc1-c1ccc(C=C2SC(=S)N(c3cccc(-c4cc(CN(C)C)ccc4F)c3)C2=O)cc1,MNANCPJDYKHXCQ-UHFFFAOYSA-N
-rxn:5:193752:225884:228870,COC(=O)c1csc(-c2cc(C(=O)N3CCCC(C)C3)ccc2-c2ccc(C3COCCO3)c(F)c2)c1,VELFQBXBRGIIDQ-UHFFFAOYSA-N
-rxn:5:193756:223136:226183,CC1CCCCN1C(=O)c1ccc(-c2ccncc2C2CCCNC2)cc1-c1cnccc1C1CCCCC1,UDSYXTIHTULNAA-UHFFFAOYSA-N
-rxn:5:193756:225592:226779,CC1CCCCN1C(=O)c1ccc(-c2cc(F)ccc2CN2CCCC2)cc1-c1ccc(C(=O)C(F)(F)F)cc1,MNXGKTRXXVURFE-UHFFFAOYSA-N
-rxn:5:193756:225602:225886,CC1CCCCN1C(=O)c1ccc(-c2cc(C3(C#N)CCC3)ccc2F)cc1-c1ccc2c(ccn2S(C)(=O)=O)c1,WWFSSOKTRGDBFY-UHFFFAOYSA-N
-rxn:5:193756:225636:226745,CCc1ncc(C(F)(F)F)cc1-c1cc(-c2ccnc(N3CCC(C)CC3)c2)ccc1C(=O)N1CCCCC1C,PTRFJNSMRWCTCK-UHFFFAOYSA-N
-rxn:5:193756:225641:227328,CC1CCCN(c2cc(-c3ccc(C(=O)N4CCCCC4C)c(-c4cc(F)cc(OC(C)C)c4)c3)ccn2)C1,KKVFJAAKRDQUNB-UHFFFAOYSA-N
-rxn:5:193756:225652:225605,Cc1cnc(OC2CCCC2)c(-c2cc(-c3cncc(N4CCCC(C)C4)c3)ccc2C(=O)N2CCCCC2C)c1,JZPOBYOWWQXHNN-UHFFFAOYSA-N
-rxn:5:193756:225653:225656,CC1CCCCN1C(=O)c1ccc(-c2ccc(N3CCCCC3C)nc2)cc1-c1cncc(N2CCCCC2C)c1,DGHNPEHBYXSMFO-UHFFFAOYSA-N
-rxn:5:193756:225671:225591,CC1CCCCN1C(=O)c1ccc(-c2cc(C3CCCCC3)ncc2F)cc1-c1cc(CN2CCCC2)ccc1F,URYJKXDLGQGFKG-UHFFFAOYSA-N
-rxn:5:193756:225674:225656,CC1CCCCN1C(=O)c1ccc(-c2cnc(C3CCCCC3)cc2F)cc1-c1cncc(N2CCCCC2C)c1,OTBHIMGPACLNRS-UHFFFAOYSA-N
-rxn:5:193756:225806:226176,CC1CCCCN1C(=O)c1ccc(-c2cnc(OC3CCCC3)cc2F)cc1-c1ccncc1C1CCCCC1,KDKTZORDIOPHKP-UHFFFAOYSA-N
-rxn:5:193756:225808:226849,COc1nccc(-c2cc(-c3cc(OC4CCCC4)ncc3F)ccc2C(=O)N2CCCCC2C)c1C(F)(F)F,KSUIZPDDYUJNNV-UHFFFAOYSA-N
-rxn:5:193756:225808:227408,CC1CCCCN1C(=O)c1ccc(-c2cc(OC3CCCC3)ncc2F)cc1-c1cc(C2CCC2)ncc1F,DWIAUCPAGMFSNO-UHFFFAOYSA-N
-rxn:5:193756:225818:226324,CC1CCCCN1C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2C2CC2)cc1-c1cccnc1OC1CCCC1,FUKXHBHUQCULHZ-UHFFFAOYSA-N
-rxn:5:193756:225834:227093,CC1CCCCN1C(=O)c1ccc(-c2cc(N3CCCCC3)ncc2F)cc1-c1cccnc1C1CCCC1,AMKJVPXOGLERGP-UHFFFAOYSA-N
-rxn:5:193756:225886:225440,CC1CCCCN1C(=O)c1ccc(-c2ccc3c(ccn3S(C)(=O)=O)c2)cc1-c1ccc(C2(C#N)CCCC2)cc1,XMWGERUICHTASJ-UHFFFAOYSA-N
-rxn:5:193756:226183:226177,CC1CCCCN1C(=O)c1ccc(-c2cnccc2C2CCCCC2)cc1-c1ccnc(C2CCCCC2)c1,PHCGFYCMIUFWRS-UHFFFAOYSA-N
-rxn:5:193756:226324:225671,CC1CCCCN1C(=O)c1ccc(-c2cccnc2OC2CCCC2)cc1-c1cc(C2CCCCC2)ncc1F,CXTPXNMNVZGARR-UHFFFAOYSA-N
-rxn:5:193756:226324:227702,COC(=O)c1cnc(F)c(-c2cc(-c3cccnc3OC3CCCC3)ccc2C(=O)N2CCCCC2C)c1,RFJMDWTVIMLXGV-UHFFFAOYSA-N
-rxn:5:193756:226374:227377,CC1CCCCN1C(=O)c1ccc(-c2cncnc2C2CCCCC2)cc1-c1cncnc1C1CCCC1,FJWKQAROISKXPU-UHFFFAOYSA-N
-rxn:5:193756:226437:225938,CC1CCCCN1C(=O)c1ccc(-c2cc(C3CCCC3)ncc2F)cc1-c1cc(C(F)(F)F)ncc1C1CC1,RVSVEQLDNCENTM-UHFFFAOYSA-N
-rxn:5:193756:226588:226587,CC1CCCCN1C(=O)c1ccc(-c2cc(OC3CCC3)ncc2F)cc1-c1cnc(OC2CCC2)cc1F,POKSNYULQLGFHM-UHFFFAOYSA-N
-rxn:5:193756:226588:227387,CC1CCCCN1C(=O)c1ccc(-c2cc(OC3CCC3)ncc2F)cc1-c1ccnc(N2CCCC2)c1,CPUVUHFRVGCYRO-UHFFFAOYSA-N
-rxn:5:193756:226747:226844,CCc1ncc(-c2ccc(C(=O)N3CCCCC3C)c(-c3ccnc(C(=O)C(F)(F)F)c3)c2)cc1C(F)(F)F,GSCCWHVHIXLXFP-UHFFFAOYSA-N
-rxn:5:193756:227413:225940,CC1CCCCN1C(=O)c1ccc(-c2cnc(C3CCC3)cc2F)cc1-c1cc(C(F)(F)F)cnc1C1CC1,UFCFKYKWTXJTSI-UHFFFAOYSA-N
-rxn:5:193756:227413:226588,CC1CCCCN1C(=O)c1ccc(-c2cnc(C3CCC3)cc2F)cc1-c1cc(OC2CCC2)ncc1F,LFKNCRICGSXMDP-UHFFFAOYSA-N
-rxn:5:193867:223011:226145,CC(C)Oc1cc2cn[nH]c2cc1-c1cc(-c2ccc(OC3CCCC3)cc2)cc(C2(N3CCC(=O)CC3)CC2)c1,YATXYXLIUDBKSP-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:5:193912:225594:227351,COC(=O)c1c(C)cccc1-c1ccc(C2C(=O)N(c3ccc(-c4ccc(F)cc4CN4CCCC4)cc3)C(=O)CS2=O)cc1,LIEZLRNUAJPQKJ-UHFFFAOYSA-N
-rxn:5:193932:225814:227496,CCN(C)c1cc(F)c(-c2ccc(C(=O)N3CC(C)CC(C)C3)cc2-c2cccc(C3(C(F)(F)F)CC3)c2)cn1,QKZQGEYDRMLTOL-UHFFFAOYSA-N
-rxn:5:193967:228511:225435,c1ccc(-c2cc(-c3ccc(C4CC4)cc3)ccc2CN2CCC3(CC2)OCCO3)c(CN2CCCCC2)c1,MGINYLSURROYIY-UHFFFAOYSA-N
-rxn:5:193972:223440:226335,Cc1cc(-c2ccc(C3CC3)[nH]2)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc(C2COC2)c(C#N)c1,ACYIJIQINCSPKN-UHFFFAOYSA-N
-rxn:5:193972:226732:226737,Cc1cc(-c2ccc(C#N)c(C(F)(F)F)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc(C(F)(F)F)c(C#N)c1,BTKYLFVYINJVCH-UHFFFAOYSA-N
-rxn:5:193972:227680:226191,Cc1cc(-c2cccc3c2OC(F)(F)O3)c(S(=O)(=O)N2CCCCCC2)cc1-c1cc(C2CCCC2)ccc1F,RKWPPKZCWGITBI-UHFFFAOYSA-N
-rxn:5:194058:222980:225805,CC(c1ccc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2ccc(CN3CCNCC3)cc2)s1)N1CCOCC1,BODWCMXOFXJUGC-UHFFFAOYSA-M
-rxn:5:194058:222980:225943,O=C(c1ccc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2ccc(CN3CCNCC3)cc2)s1)N1CCOCC1,LLZKJLJDIDLFSO-UHFFFAOYSA-M
-rxn:5:194058:222993:225943,O=C(c1ccc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2cccc(N3CCCCC3O)c2)s1)N1CCOCC1,ODGMLPIYQSFZPS-UHFFFAOYSA-M
-rxn:5:194058:222994:225943,O=C(c1ccc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2cccc(N3CCC(O)CC3)c2)s1)N1CCOCC1,BEAMDLBUAREUGH-UHFFFAOYSA-M
-rxn:5:194058:223056:225943,O=C(c1ccc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2ccc(N3CCC(O)CC3)nc2)s1)N1CCOCC1,AZZPLGAKAICKHY-UHFFFAOYSA-M
-rxn:5:194058:223062:225943,O=C(c1ccc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2cnc(C3CCNCC3)cc2F)s1)N1CCOCC1,RURUANWBUMDREQ-UHFFFAOYSA-M
-rxn:5:194058:225577:225805,CC(c1ccc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2ccc(N3CCCC3)cc2C#N)s1)N1CCOCC1,IRERDIDEUSAYFC-UHFFFAOYSA-M
-rxn:5:194058:225805:222980,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2ccc(CN3CCNCC3)cc2)s1)N1CCOCC1,BOGFJIYAMFHNOH-UHFFFAOYSA-M
-rxn:5:194058:225805:222994,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2cccc(N3CCC(O)CC3)c2)s1)N1CCOCC1,MUQNITYBTIZTTN-UHFFFAOYSA-M
-rxn:5:194058:225805:225577,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2ccc(N3CCCC3)cc2C#N)s1)N1CCOCC1,ULJAFCGZLZBJDT-UHFFFAOYSA-M
-rxn:5:194058:225805:225943,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2ccc(C(=O)N3CCOCC3)s2)s1)N1CCOCC1,XDVPIHMFFSMGNT-UHFFFAOYSA-M
-rxn:5:194058:225943:222958,Cc1ccc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2ccc(C(=O)N3CCOCC3)s2)cc1C1CCNCC1,UZKKJPRKMQKQRN-UHFFFAOYSA-M
-rxn:5:194058:225943:222984,O=C(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2ccc(CN3CCC(O)C3)cc2)s1)N1CCOCC1,MITFKRSJMGDYGK-UHFFFAOYSA-M
-rxn:5:194058:225943:225798,O=C(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2ccc(OC3CCOCC3)nc2)s1)N1CCOCC1,LDONQBIEQWHMNW-UHFFFAOYSA-M
-rxn:5:194058:225943:225805,CC(c1ccc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2ccc(C(=O)N3CCOCC3)s2)s1)N1CCOCC1,IFOMHEYSQLPLPH-UHFFFAOYSA-M
-rxn:5:194058:225943:225874,O=C(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2ccc(F)c(N3CCOCC3)c2)s1)N1CCOCC1,SJQKUMABRWKCTD-UHFFFAOYSA-M
-rxn:5:194561:226053:226734,CN(C)S(=O)(=O)c1cccc(-c2ccc(-c3ccc(F)c(OC(F)(F)F)c3F)cc2C(=O)N2C3CCC2COC3)c1,OJJLSZYQBGKWNE-UHFFFAOYSA-N
-rxn:5:194575:225589:225507,COC(=O)C1CCc2cc(-c3cc4c(s3)CCN(S(=O)(=O)c3ccccc3-c3ccc(CN5CCSCC5)cc3)C4)ccc21,GDMOHABMJMJIJV-UHFFFAOYSA-N
-rxn:5:194659:223105:226826,CNS(=O)(=O)c1cc(-c2ccc3c(c2)CN(Cc2cccc(-c4cc(C)cc(C(F)(F)F)c4F)c2)C(=O)CO3)c(F)cc1C,LUPUIIWSLZLGHA-UHFFFAOYSA-N
-rxn:5:194660:226426:222960,Cc1cc(-c2ccc(CN3Cc4cc(-c5ccc(N6CCC(C)CC6)s5)ccc4OCC3=O)cc2)cc(C2CCNCC2)c1,KMEWSFCIANRREF-UHFFFAOYSA-N
-rxn:5:194733:227531:226058,COC(=O)c1cc(F)cc(-c2ccc(-c3c(C(C)C)cccc3C(C)C)c(C(=O)N3C4CCC3CC(=C3CC3)C4)c2)c1,BAEWZFCSIVEVDW-UHFFFAOYSA-N
-rxn:5:194733:229309:225583,Cc1ncc(-c2ccc(-c3cccc(C(=O)N4CCCC4)c3)c(C(=O)N3C4CCC3CC(=C3CC3)C4)c2)o1,JKZRPBPWJLKZKU-UHFFFAOYSA-N
-rxn:5:194767:225881:222417,CC(C)c1[nH]c(=O)ncc1-c1ccc(-c2ccc(C3CCOCC3)nc2F)cc1C(=O)N1CCCC2(C1)OC(=O)c1ccccc12,NTANYBQHFVVMLO-UHFFFAOYSA-N
-rxn:5:194767:225976:226395,O=C1OC2(CCCN(C(=O)c3cc(-c4ccnc(N5CCOCC5)c4F)ccc3-c3cncc(N4CCCCC4)c3)C2)c2ccccc21,STFBHDWFSZVZPL-UHFFFAOYSA-N
-rxn:5:194767:226644:223141,O=C1OC2(CCCN(C(=O)c3cc(-c4cncc(N5CCOCC5)c4)ccc3-c3cncc(C4CCNCC4)c3)C2)c2ccccc21,ORDPROUIBYBYFN-UHFFFAOYSA-N
-rxn:5:194782:228801:227066,CSc1cc(F)ccc1-c1ccc(-c2cccc(C(=O)C3CC3)c2)c(C(=O)N2CCC3(CC2)CC(=O)c2ccccc2O3)c1,DTLHXYVNQJRGNA-UHFFFAOYSA-N
-rxn:5:194791:227782:227732,Cc1nn(-c2cncs2)cc1-c1ccc(C2OC3(C(=O)c4ccccc4C3=O)C3C(=O)N(c4ccccc4-c4ccc(C(F)(F)F)nc4F)C(=O)C23)cc1,DMUBEFVGYUQXFM-UHFFFAOYSA-N
-rxn:5:194791:228993:223014,COC(=O)c1cccc2[nH]c(-c3ccc(C4OC5(C(=O)c6ccccc6C5=O)C5C(=O)N(c6ccccc6-c6ccc(C#N)cc6)C(=O)C45)cc3)cc12,AEWLMJRXIWZLHL-UHFFFAOYSA-N
-rxn:5:196408:222959:225684,Cc1cc(-c2cc(-c3ccc(C4CCOCC4)nc3C)ccc2C2=NOCCO2)ccc1C1CCNCC1,WIMWAIQQXDMUJA-UHFFFAOYSA-N
-rxn:5:196408:223142:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(C2=NOCCO2)c(-c2ccc(C3CCCNC3)nc2)c1,LYZGFLGLXIEOGB-UHFFFAOYSA-N
-rxn:5:196408:226182:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(C2=NOCCO2)c(-c2cccnc2C2CCCCC2)c1,RAECURBGLJADEG-UHFFFAOYSA-N
-rxn:5:197169:222956:225926,Cc1ccc(-c2cc(-c3ccc(S(=O)(=O)N4CCC4)cc3)cc3c2OCC(C#N)=C3)c(C2CCCNC2)c1,AYVNJHHMPQLLGW-UHFFFAOYSA-N
-rxn:5:197169:222987:225926,Cc1nc(C2CCNCC2)ccc1-c1cc(-c2ccc(S(=O)(=O)N3CCC3)cc2)cc2c1OCC(C#N)=C2,MAXJQEOLZNNMCZ-UHFFFAOYSA-N
-rxn:5:197876:223082:228434,CNS(=O)(=O)c1c(C)cc(-c2cc3c(cc2-c2ccc(C(F)F)c(F)c2)C(=O)N(C(C)(C)C)S3(=O)=O)cc1C,YPMCFENXWDSPPP-UHFFFAOYSA-N
-rxn:5:197876:223183:228971,CNS(=O)(=O)c1ccc(-c2cc3c(cc2-c2csc(C(F)(F)F)c2)C(=O)N(C(C)(C)C)S3(=O)=O)c(C)c1,XYNUBAYMYLTEFV-UHFFFAOYSA-N
-rxn:5:197876:223231:227102,CNC(=O)c1ccc(-c2cc3c(cc2-c2cc(C(C)(C)C)ccc2F)C(=O)N(C(C)(C)C)S3(=O)=O)cc1C,XBXXONXAIVICOZ-UHFFFAOYSA-N
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-rxn:5:197876:226664:227926,CC(C)Sc1ccc(-c2cc3c(cc2-c2cc(N4CCCC4)ncc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1,QVIGYUYGCSKVFG-UHFFFAOYSA-N
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-rxn:5:197876:226710:226917,Cc1cc(-c2cc3c(cc2-c2ccc(F)c([Si](C)(C)C)c2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc(C(C)(C)C)c1,JNDMCSNLDJFVNC-UHFFFAOYSA-N
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-rxn:5:197876:226827:227815,CCC(C)c1ccccc1-c1cc2c(cc1-c1ccc(C(F)(F)F)c(C)c1F)S(=O)(=O)N(C(C)(C)C)C2=O,SEXHLGFTTFTTJG-UHFFFAOYSA-N
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-rxn:4:187628:223834,CCOc1cc(S(=O)(=O)N2CC(C)CC(C)C2)ccc1-c1cc(C)c(S(=O)(=O)N2CCN(C)CC2)c(C)c1,XWBSKPCMRQRJMW-UHFFFAOYSA-N
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-rxn:4:187656:224078,CCN(C1CCCCC1)S(=O)(=O)c1cc(C)c(-c2cccc3c2ccn3[Si](C)(C)C(C)(C)C)cc1C,RHJPISBUFCRUJQ-UHFFFAOYSA-N
-rxn:4:187660:223888,Cc1ccc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CCC3)c(C2CCCN(C(=O)OC(C)(C)C)C2)c1,ZHCKBFPMXSILQO-UHFFFAOYSA-N
-rxn:4:187664:223918,Cc1cc(-c2cc(C(=O)N(C)C3CCCCC3)ccc2F)ccc1C1CCN(C(=O)OC(C)(C)C)CC1,XCGROZIOQOQWJL-UHFFFAOYSA-N
-rxn:4:187680:227576,CCOc1c(Cl)cc(F)cc1-c1ccccc1C(=O)N(C1CCCCC1)C1CCCCC1,MKPMJOYFKDFRIS-UHFFFAOYSA-N
-rxn:4:187685:225899,Cc1cc(-c2ccc(C(=O)c3cccc(CN4CCC5(CC4)OCCO5)c3)cc2)n(C(=O)OC(C)(C)C)n1,GXWDXWVTFGQDHS-UHFFFAOYSA-N
-rxn:4:187694:223846,Cc1cc(-c2cc(F)cc(-c3c(S(C)(=O)=O)c(C)n(C(C)C)c3-c3ccc(Cl)cc3)c2)cc(C2CC3CCC2(C)C3(C)C)c1,RFQOSETUJZRJPJ-UHFFFAOYSA-N
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-rxn:4:210833:222514,COc1ccc(-c2cnn(C)c2C23CCCCC2O3)cc1S(=O)(=O)NC1CCCCC1,CCTNBPKQDLHMJV-UHFFFAOYSA-N
-rxn:4:211061:227256,CCOc1ccc(-c2ccc3c(c2)C(=C2SC(=S)N(C4CCS(=O)(=O)C4)C2=O)C(=O)N3C)c(OC)c1,RDBUMFVVEPCPAD-UHFFFAOYSA-N
-rxn:4:212542:225898,CCOCC(=O)N1CCCC(Oc2ncc(-c3cnn(CCN4CCOCC4)c3)cn2)C1,QYWXIEYATGQERH-UHFFFAOYSA-N
-rxn:4:212597:224686,Cc1cccc(OCC(=O)N2CCC(Oc3ncc(-c4ccc(C(=O)N5CCCCC5)cc4F)cn3)C2)c1,QKVFOQPOLXGXGH-UHFFFAOYSA-N
-rxn:4:212600:224189,COc1cc(-c2cnc(OC3CCCN(C(=O)COc4ccccc4)C3)nc2)ccc1O[Si](C)(C)C(C)(C)C,GSVVUAJJHLHZBA-UHFFFAOYSA-N
-rxn:4:212606:224759,CC(C)CC(=O)N1CCCC(COc2ncc(-c3cc(F)cc(C(=O)N4CCOCC4)c3)cn2)C1,WXEWGDJWLLVINR-UHFFFAOYSA-N
-rxn:4:212607:222916,CCC(CC)C(=O)N1CCC(Oc2ncc(-c3cccc(C(=O)NC4=NCCS4)c3)cn2)CC1,NQIILFQYXNYSHR-UHFFFAOYSA-N
-rxn:4:212607:224718,CCC(CC)C(=O)N1CCC(Oc2ncc(-c3ccc(OCCN4CCOCC4)nc3)cn2)CC1,CZMYDKUVZUNXIR-UHFFFAOYSA-N
-rxn:4:212609:222787,CC(C)(C)OC(=O)Nc1ccc(-c2nccn2CC2CCN(C(=O)OCc3ccccc3)CC2)c(Cl)c1,BZATXPAWNUENFR-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:4:212616:225653,CC1CCCCN1c1ccc(-c2cncc(C(=O)OCC(=O)N3CCN(c4ccccc4F)CC3)c2)cn1,UOEDBMVVGXDQJX-UHFFFAOYSA-N
-rxn:4:212623:225110,CC(C)(C)OC(=O)Oc1ccc(-c2cc(F)ccc2CC(=O)N2CCCC(COc3ncccn3)C2)cc1,KGBXSLWVYZKNMC-UHFFFAOYSA-N
-rxn:4:212631:225752,COC(=O)c1cnc(C(C)C)c(-c2cncc(C(=O)N3CCC(COc4ncccc4C(F)(F)F)CC3)c2)c1,UBSWUNLHLMXIJU-UHFFFAOYSA-N
-rxn:4:212635:227093,Cn1ncc(-c2cccnc2C2CCCC2)c1CN(C(=O)OC(C)(C)C)C1CCCC1,ALAXOECJGOQWPI-UHFFFAOYSA-N
-rxn:4:212639:224361,CCN(CC)S(=O)(=O)c1cc(-c2cncc(CC(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)ccc1OC,WEYVPNTUYPCFNJ-UHFFFAOYSA-N
-rxn:4:212649:224830,CCC(C)(C)C(=O)N1CCCC(COc2ncc(-c3cc(C(F)(F)F)nn3C3CCCCO3)cn2)C1,QTVNRMGGGMBWNY-UHFFFAOYSA-N
-rxn:4:212650:226236,CCCCOc1ncc(C)cc1-c1cnc(OCC2CCCN(C(=O)CC(C)(C)C)C2)nc1,ZJRMOVAQHQPXBW-UHFFFAOYSA-N
-rxn:4:212653:226511,COC(=O)c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)c(-c2cc(Cl)cnc2OCC2CC2)n1,QYTYUUFFJCNDFI-UHFFFAOYSA-N
-rxn:4:212656:223652,COC(=O)c1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)c(-c2cc3c(Cl)ccc(OC)c3n2C(=O)OC(C)(C)C)c1,NEYFJNPTGNIGII-UHFFFAOYSA-N
-rxn:4:212656:224161,COC(=O)c1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)c(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)C3)c1,YWWAIYYJAAMPCX-UHFFFAOYSA-N
-rxn:4:212685:223506,COC(=O)c1ccc(N2CCN(S(=O)(=O)c3ccc(-c4cccc(S(=O)(=O)N5CCN(C(=O)OC(C)(C)C)CC5)c4)cc3)CC2)c([N+](=O)[O-])c1,NSBUWVCINFFDEB-UHFFFAOYSA-N
-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:4:212722:227370,Cc1ccc(S(=O)(=O)N(Cc2ccc(-c3ccc(OC4CC4)c(F)c3)cc2)C(=O)N2CCN(C)CC2)cc1,SNCCTIOCPRKFBO-UHFFFAOYSA-N
-rxn:4:212723:222741,CCOc1ccc(-c2noc(C3CCN(S(=O)(=O)c4ccc(-c5cc(C6CC6)nc(C6CCCNC6)c5)cc4)CC3)n2)cc1,BPKCTQBTYAWMIC-UHFFFAOYSA-N
-rxn:4:212739:224720,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cn(C(=O)OC(C)(C)C)nc3C3CC3)cc2N2CCCCC2)CC1,OAQSVGZYAVBEGZ-UHFFFAOYSA-N
-rxn:4:212739:228549,CCCc1ccc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)c(N3CCCCC3)c2)cn1,MQADADLWJUIQPI-UHFFFAOYSA-N
-rxn:4:212740:223591,CC(C)(C)OC(=O)N1CCN(c2cc(CN3CCCCC3)cc(-c3cc(N4CCN(C(=O)OC(C)(C)C)CC4)ccc3F)c2)CC1,JQTZRLNUZLDSFZ-UHFFFAOYSA-N
-rxn:4:212740:223935,CC(C)(C)OC(=O)N1CCN(c2cc(CN3CCCCC3)cc(-c3cc4cccc(F)c4n3C(=O)OC(C)(C)C)c2)CC1,VSIPYEDDMGFVGO-UHFFFAOYSA-N
-rxn:4:212744:223595,CC(C)(C)OC(=O)N1CCN(c2cc(CN3CCC(F)(F)CC3)cc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)c(F)c3)c2)CC1,DRNARBQAGUJKMU-UHFFFAOYSA-N
-rxn:4:212748:224853,CC1CN(c2cc(CN3CCCCC3)cc(-c3ccc(C4CCC(C)(C)CC4)cc3)c2)CCN1C(=O)OC(C)(C)C,FEWVZWDSWIKCQH-UHFFFAOYSA-N
-rxn:4:212748:225840,CC1CN(c2cc(CN3CCCCC3)cc(-c3cnc(-c4ccncc4)c(Cl)c3)c2)CCN1C(=O)OC(C)(C)C,XTQUZOOMDSDLGD-UHFFFAOYSA-N
-rxn:4:212751:226678,CC1CN(c2cc(CN3CCC(F)(F)CC3)cc(-c3cc(Cl)ccc3-n3cccn3)c2)CCN1C(=O)OC(C)(C)C,DGNPZYBSLABOOT-UHFFFAOYSA-N
-rxn:4:212761:223784,CCN1CCN(CCOc2ccc(-c3ccc(C(=O)N=c4sc5cc(S(N)(=O)=O)ccc5n4CC(=O)OC)s3)cc2F)CC1,STCVKHLAKLAGJE-UHFFFAOYSA-N
-rxn:4:212795:223811,COCCn1c(=NC(=O)c2ccc(N(C)C)cc2)sc2cc(-c3ccc(CN4CCC5(CC4)OCCO5)c(Cl)c3)ccc21,ZLWIYWOVHCAIKC-UHFFFAOYSA-N
-rxn:4:212839:224760,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4ccc(S(=O)(=O)N5CCCCC5)cc4)ccn23)CC1,GNCPHHGUESUTCO-UHFFFAOYSA-N
-rxn:4:212839:227438,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4ccnc(C5CCOC5)c4)ccn23)CC1,PCDGMDYOHCANAD-UHFFFAOYSA-N
-rxn:4:212848:224146,Cc1cc(O[Si](C)(C)C(C)(C)C)cc(C)c1-c1ccc2c3c(n(C(=O)OC(C)(C)C)c2n1)CCN(C(=O)OC(C)(C)C)C3,LFBOJWXEZNHVSQ-UHFFFAOYSA-N
-rxn:4:212878:223978,COC(=O)c1nnn(-c2ccc(-c3ccc(C(=O)OC(C)(C)C)c(C(F)(F)F)c3)cc2F)c1C(=O)OC,PXCOWDRIDWNHKZ-UHFFFAOYSA-N
-rxn:4:212908:225172,CCOC(=O)N1CCCC(Oc2ncc(-c3cc(CN4CCOCC4)ccc3F)cn2)C1,AOFBEILUJJHEPP-UHFFFAOYSA-N
-rxn:4:212938:222546,CCC(=O)N1CCCC(COc2ncc(-c3ccc(OCCNC4CCCCC4)c(F)c3)cn2)C1,XKOKRSNALNZKCM-UHFFFAOYSA-N
-rxn:4:212938:225898,CCC(=O)N1CCCC(COc2ncc(-c3cnn(CCN4CCOCC4)c3)cn2)C1,MOYOYSXRSHDBEU-UHFFFAOYSA-N
-rxn:4:212963:225385,CC(C)(C)OC(=O)N1CCC(Oc2cncc(-c3cc(C(F)(F)F)nc(C(F)(F)F)c3)n2)C1,FWSANWVSRKUUGA-UHFFFAOYSA-N
-rxn:4:212966:223533,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cnc(OC4CCN(C(=O)OC(C)(C)C)C4)nc3)c(F)c2)CC1,CRACSVKBRYCKJW-UHFFFAOYSA-N
-rxn:4:212966:225312,CN1CCCN(c2ncc(-c3cnc(OC4CCN(C(=O)OC(C)(C)C)C4)nc3)cn2)CC1,SLWHPBHLNQZYMH-UHFFFAOYSA-N
-rxn:4:212988:225665,CC(C)(C)OC(=O)N1CCN(C(=O)c2csc(-c3ccc(Cl)cc3N3CCCCC3)n2)CC1,XOLNWOXSYVWHDQ-UHFFFAOYSA-N
-rxn:4:212989:223500,CC(C)(C)OC(=O)N1CCN(C(=O)c2cnc(-c3ccc(F)c(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c3)s2)CC1,WNNHZEDIEQCUHC-UHFFFAOYSA-N
-rxn:4:212991:226335,N#Cc1cc(-c2cnc(OCC3CCN(S(=O)(=O)C4CC4)CC3)nc2)ccc1C1COC1,XWBYFHXEZGKUJD-UHFFFAOYSA-N
-rxn:4:213010:223588,Cc1cc(-c2cnn(C[C@@H]3CN(C(=O)OC(C)(C)C)CCO3)c2)cnc1N1CCN(C(=O)OC(C)(C)C)CC1,OWMPRAAKVFIBRI-QHCPKHFHSA-N
-rxn:4:213010:226655,CC(C)(C)OC(=O)N1CCO[C@H](Cn2cc(-c3cc(Cl)cnc3N3CCCC3)cn2)C1,BEMPJHGFGPABMB-SFHVURJKSA-N
-rxn:4:213013:225984,CCC(C)C(=O)N1CCC(Oc2ncc(-c3cnc(Cl)c(N4CCOCC4)c3)cn2)CC1,FGDUDRDORIWXQY-UHFFFAOYSA-N
-rxn:4:213041:223883,CC(C)(C)OC(=O)N1CCC(Oc2cnc(-c3ccc4c(c3)CCCN4C(=O)OC(C)(C)C)cn2)CC1,VYOLLYFBZYOKJS-UHFFFAOYSA-N
-rxn:4:213041:224280,CC(C)(C)OC(=O)N1CCC(Oc2cnc(-c3cc4c(s3)CCN(C(=O)OC(C)(C)C)C4)cn2)CC1,CNXDUVYFNXBBJD-UHFFFAOYSA-N
-rxn:4:213044:225312,CN1CCCN(c2ncc(-c3cnc(OC4CCN(C(=O)OC(C)(C)C)CC4)nc3)cn2)CC1,BVHMFNNBYQPQQR-UHFFFAOYSA-N
-rxn:4:213053:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnc(OCC4CCCN(C(=O)C5CC(F)(F)C5)C4)nc3)c(F)c2)CC1,HGWOSVUPQSINRN-GLQXSRQHSA-N
-rxn:4:213065:222946,O=C(c1ccc(C(F)(F)F)cc1)N1CCCC(Oc2ncc(-c3cnc(N4CCCCC4O)nc3Cl)cn2)C1,XPSXMUGSVWUSBX-UHFFFAOYSA-N
-rxn:4:213065:225731,CCOC(=O)c1ccc(-c2cnc(OC3CCCN(C(=O)c4ccc(C(F)(F)F)cc4)C3)nc2)c(OC)c1,MGNHXAKLMQQUII-UHFFFAOYSA-N
-rxn:4:213076:223652,COc1ccc(Cl)c2cc(-c3cnn(-c4ccc(S(=O)(=O)N(C(C)C)C(C)C)cc4)c3)n(C(=O)OC(C)(C)C)c12,GFJPNDSGMLBKGD-UHFFFAOYSA-N
-rxn:4:213080:224274,CC(C)(C)OC(=O)N1CCN(C(=O)c2cncc(-c3cc4cnccc4n3C(=O)OC(C)(C)C)c2)CC1,YAHSDVGGEFTMHD-UHFFFAOYSA-N
-rxn:4:213116:223489,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3cnc(OCC4CCCN(S(=O)(=O)c5ccc(F)cc5)C4)nc3)cc2)CC1,SSEWQDDHMWVWKR-UHFFFAOYSA-N
-rxn:4:213126:224278,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cnc4c(ccn4C(=O)OC(C)(C)C)c3)nc2)CC1,SJLOAXIJQNFUQD-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:4:213134:225191,CCC(C)(C)C(=O)N1CCC(Oc2ncc(-c3cnc(OC4CCCCC4)cc3F)cn2)CC1,GBXNMLCMIMLSPF-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:4:213147:226590,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cncc(-c3ccc(OC4CCOC4)nc3)c2)CC1,RJUMUKWLPUFITI-UHFFFAOYSA-N
-rxn:4:213152:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3ccc(OC)c(CN4CCC(Oc5ncc(F)cn5)CC4)c3)c2)CC1,DMABMUOUODXHKH-UHFFFAOYSA-N
-rxn:4:213178:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnc(OCC4CCCN(C(=O)c5cc(C)oc5C)C4)nc3)c(F)c2)CC1,UJBQEQIGOLYSDK-JFJJZVRQSA-N
-rxn:4:213226:224645,COc1cc(C(=O)N2CCCC2)ccc1-c1cccc(-c2cnc([C@@H]3CCCN3C(=O)OC(C)(C)C)[nH]2)c1,WMCHRQNBWYRDQC-VWLOTQADSA-N
-rxn:4:213231:222395,CN(c1ccccn1)C1CCN(C(=O)Cc2ccc(F)cc2-c2cccc(C(=O)NC3CCC(O)CC3)c2)CC1,SMKCGTVHGIRFEM-UHFFFAOYSA-N
-rxn:4:213242:222721,O=[N+]([O-])c1cccc(C2CC(c3ccc(-c4cc(C5CCNCC5)nc(C(F)(F)F)c4)cc3)=NN2S(=O)(=O)c2ccccc2)c1,DZWBDJIVFRWPQN-UHFFFAOYSA-N
-rxn:4:213251:222854,COc1ccc(C2CCCNC2)cc1-c1cc(S(=O)(=O)N2CCCCC2)cnc1N(C)Cc1ccccc1,LRIYIYWNZZBKDT-UHFFFAOYSA-N
-rxn:4:213258:223574,Cc1nn(CC2CCCN(C(=O)OC(C)(C)C)C2)c(C)c1-c1cccc(CN2CCN(C(=O)OC(C)(C)C)CC2)c1,KJWAMUBNRBJEIF-UHFFFAOYSA-N
-rxn:4:213258:223649,Cc1nn(CC2CCCN(C(=O)OC(C)(C)C)C2)c(C)c1-c1cccc(N2CCN(C(=O)OC(C)(C)C)CC2)c1,GNCUGIGMASLDCB-UHFFFAOYSA-N
-rxn:4:213260:225144,N#Cc1cc(N2CCOCC2)ccc1-c1cnc(OCC2CCCN(CC3CCS(=O)(=O)CC3)C2)nc1,VCTVYNVDQFPXDM-UHFFFAOYSA-N
-rxn:4:213260:225145,N#Cc1cc(-c2cnc(OCC3CCCN(CC4CCS(=O)(=O)CC4)C3)nc2)ccc1N1CCOCC1,LBGBWAHBNBZSEA-UHFFFAOYSA-N
-rxn:4:213260:225193,N#Cc1cc(-c2cnc(OCC3CCCN(CC4CCS(=O)(=O)CC4)C3)nc2)ccc1C1COCCO1,HVCSEYSWWHVPQO-UHFFFAOYSA-N
-rxn:4:213289:226502,CC(C)(C)OC(=O)N1CCC(c2nc(C(C)(C)C)ncc2-c2ccn(C(=O)OC(C)(C)C)c2)CC1,YFJGMTKMGSGMFR-UHFFFAOYSA-N
-rxn:4:213382:224759,CCN1CCN(c2nc3ccc(OC(=O)c4ccccc4-c4cc(F)cc(C(=O)N5CCOCC5)c4)cc3s2)CC1,CTAQSPNSOXENAM-UHFFFAOYSA-N
-rxn:4:213403:224087,COc1ccccc1N1CCN(C(=O)Cn2ccc3cc(-c4cccc(OCCN5CCCCCC5)c4)ccc32)CC1,HCPSZYFYEHPQLL-UHFFFAOYSA-N
-rxn:4:213581:223659,CC(C)(C)OC(=O)N1CCC(Cn2cc(-c3cnc(OCCN4CCOCC4)nc3)cn2)CC1,BUQJRWSVRAAWBX-UHFFFAOYSA-N
-rxn:4:213679:223835,Cc1cc(F)c(-c2cnn(CC3CN(S(=O)(=O)c4ccc(Cl)cc4)C3)c2)cc1S(=O)(=O)N1CCC(C)CC1,HPWQUPRPMAUROO-UHFFFAOYSA-N
-rxn:4:213713:225219,CC1CCCCN1c1cc(F)c(-c2cnc([C@@H]3CCCN3C(=O)OC(C)(C)C)[nH]2)cn1,BOTADCBADGWRIU-FUBQLUNQSA-N
-rxn:4:213721:223929,CC(C)(C)OC(=O)N1CCc2cc(-c3ccn(C4CCN(C(=O)OC(C)(C)C)C4)n3)cnc2C1,IPBPTOYANOFIPK-UHFFFAOYSA-N
-rxn:4:213723:222546,CCN1CCN(C(=O)Cc2cncc(-c3ccc(OCCNC4CCCCC4)c(F)c3)c2)CC1,XZUMPMCNXTUEIY-UHFFFAOYSA-N
-rxn:4:213755:224670,CN1CCN(Cc2ccc(F)c(-c3csc(N4CCN(C(=O)OC(C)(C)C)CC4)n3)c2)CC1,SJRRWBSVBNLEQV-UHFFFAOYSA-N
-rxn:4:213760:222943,O=C(C1CCOCC1)N1CC(Cn2cc(-c3ccc(F)c(S(=O)(=O)NC4CC4)c3)cn2)C1,JCKVZBQVQAGODR-UHFFFAOYSA-N
-rxn:4:213766:223507,CC(C)(C)OC(=O)N1CCN(c2nc(-c3ccccc3S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)co2)CC1,QDIZMIUTSNFTTQ-UHFFFAOYSA-N
-rxn:4:213784:222677,Cc1cc(F)ccc1S(=O)(=O)N1CC(Cn2cc(-c3ccc(F)cc3CNC(=O)OC(C)(C)C)cn2)C1,KHXQNEFMFQYVMS-UHFFFAOYSA-N
-rxn:4:213794:222928,Cc1nc(N2CCC(O)CC2)ncc1-c1cnn(CC2CN(CC3CCCCO3)C2)c1,XTZMRGCQJLFEFP-UHFFFAOYSA-N
-rxn:4:213794:222935,CN(C)S(=O)(=O)NCc1ccc(-c2cnn(CC3CN(CC4CCCCO4)C3)c2)cc1,HZHRTDVVZYIBQF-UHFFFAOYSA-N
-rxn:4:213796:222935,CN(C)S(=O)(=O)NCc1ccc(-c2cnn(CC3CN(CC4CCOCC4)C3)c2)cc1,YLCOHGSYQCJUTN-UHFFFAOYSA-N
-rxn:4:213796:223993,Cc1cc(-c2cnn(CC3CN(CC4CCOCC4)C3)c2)ccc1S(=O)(=O)N1CCN(C)CC1,NYIODTUBMWOJKW-UHFFFAOYSA-N
-rxn:4:213799:225984,CC(C)(C)OC(=O)N1CCOC(c2cc(-c3cnc(Cl)c(N4CCOCC4)c3)ncn2)C1,HEOUQJVCVYWRFA-UHFFFAOYSA-N
-rxn:4:213802:222931,CN(C)S(=O)(=O)N1CCC(Oc2ncccc2-c2cnc(Cl)c(N3CCCCC3O)c2)CC1,CMLNVJIJHGNBCK-UHFFFAOYSA-N
-rxn:4:213802:222956,Cc1ccc(-c2cccnc2OC2CCN(S(=O)(=O)N(C)C)CC2)c(C2CCCNC2)c1,DXPDUMMPYQTLAG-UHFFFAOYSA-N
-rxn:4:213802:222959,Cc1cc(-c2cccnc2OC2CCN(S(=O)(=O)N(C)C)CC2)ccc1C1CCNCC1,JKHLMSCFOFNKCR-UHFFFAOYSA-N
-rxn:4:213802:225640,CC1CCCCN1c1cc(-c2cccnc2OC2CCN(S(=O)(=O)N(C)C)CC2)ccn1,DHYFHDGSYASJCD-UHFFFAOYSA-N
-rxn:4:213802:226652,Cc1cc(-c2cccnc2OC2CCN(S(=O)(=O)N(C)C)CC2)n(C2CCCCO2)n1,OPRNHXQMBUBAGZ-UHFFFAOYSA-N
-rxn:4:213805:224272,CC(C)(C)OC(=O)N1CCOC(c2ncc(-c3cc4ccncc4n3C(=O)OC(C)(C)C)cn2)C1,FCVNDANUPJFWKX-UHFFFAOYSA-N
-rxn:4:213816:223822,CC(C)(C)COC(=O)c1ccc(C(F)(F)F)cc1-c1cccc(C(=O)N2CCCC(Oc3ncccn3)C2)c1,YBERLEQNLISEDL-UHFFFAOYSA-N
-rxn:4:213868:224010,COc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1cnc(OC2CCCN(S(=O)(=O)c3cccc(Cl)c3)C2)nc1,YVMJDQQTJOUKIN-UHFFFAOYSA-N
-rxn:4:213875:225982,CC(C)(C)OC(=O)N1CCN(c2cccc(-c3cnc(N4CCOCC4)cc3F)n2)CC1,OGPORYVKWLNCPA-UHFFFAOYSA-N
-rxn:4:213880:225980,CC(C)(C)OC(=O)N1CCN(c2cnccc2-c2cc(N3CCOCC3)ncc2F)CC1,JGYWLPPXRQAELY-UHFFFAOYSA-N
-rxn:4:213889:222846,CC(C)(C)OC(=O)N1CCCC(c2cc(-c3cc(C4CCCNC4)ccc3C#N)ncn2)C1,IMUXILONAJNJCX-UHFFFAOYSA-N
-rxn:4:213890:222521,CC(C)(C)OC(=O)Nc1cc(-c2cc(C3CCN(C(=O)OC(C)(C)C)CC3)ncn2)cc(C(F)(F)F)c1,XQTMDZKBQKYOSE-UHFFFAOYSA-N
-rxn:4:213898:225984,CC(C)(C)C(=O)N1CCC(Oc2ncc(-c3cnc(Cl)c(N4CCOCC4)c3)cn2)CC1,GESHWXAOLUDYQU-UHFFFAOYSA-N
-rxn:4:213932:227480,CCCOc1nccc(-c2cnc(N3CCOC(C(=O)N4CCCC4)C3)c(C(F)(F)F)c2)c1Cl,CDXSWUHAOTVNCI-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:4:213982:225361,CC1CN(C(=O)OC(C)(C)C)CCC1c1cc(-c2cn(C3CCCC3)nc2C(F)(F)F)ncn1,RPFATOKIJHNLCS-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:4:214011:222985,Cc1nc(C2CCCNC2)ccc1-c1ccc(S(=O)(=O)n2nc(C)c(S(=O)(=O)N3CCCC3)c2C)cc1,FEBVNVLMSLDPCD-UHFFFAOYSA-N
-rxn:4:214018:224617,CC(=O)N1N=C(c2ccc(-c3ccc(OCCN4CCCC4)c(Cl)c3)cc2)CC1c1ccc(N(C)C)cc1,XDDRTMBXCSDJCM-UHFFFAOYSA-N
-rxn:4:214021:224771,Cc1cc(C)nc(OC2CCCN(C(=O)c3ccccc3-c3ccc(C)c(S(=O)(=O)N4CCCC4)c3)C2)n1,IFDVYALRUAKWJC-UHFFFAOYSA-N
-rxn:4:214027:225522,CCCCOc1cc(OC)cc(-c2cnc(N3CCCC(C(=O)N4CCOCC4)C3)c(C(F)(F)F)c2)c1,WDCSEXWLVGUXEQ-UHFFFAOYSA-N
-rxn:4:214057:223885,CCN1CCN(Cc2ccc(-c3ccc4c(c3)CN(C(=O)OC(C)(C)C)CC4)cc2N2CCCC2)CC1,NDUZYUHUZVIOHL-UHFFFAOYSA-N
-rxn:4:214057:226374,CCN1CCN(Cc2ccc(-c3cncnc3C3CCCCC3)cc2N2CCCC2)CC1,YNZBYQYALZCIDX-UHFFFAOYSA-N
-rxn:4:214065:225895,COCCOc1cc(-c2ccc(C(=O)n3nc(C)c(S(=O)(=O)N4CCC(C)CC4)c3C)cc2)cc(Cl)c1F,CGGNEOXJTDSCIF-UHFFFAOYSA-N
-rxn:4:214065:225915,CCOc1cc(-c2ccc(C(=O)n3nc(C)c(S(=O)(=O)N4CCC(C)CC4)c3C)cc2)ccc1C(F)(F)F,TYXZTYZIZCPYFW-UHFFFAOYSA-N
-rxn:4:214067:223997,Cc1ccc(S(=O)(=O)N2CCC(c3nc(-c4ccc(-c5cc(C)c(S(=O)(=O)N6CCOCC6)c(C)c5)cc4)no3)CC2)cc1,XJRSPRNTXUJSJU-UHFFFAOYSA-N
-rxn:4:214069:222699,Cc1ccc(S(=O)(=O)N2CCCC(c3nc(-c4ccc(-c5ccc(C6CCCNC6)c(C(F)(F)F)c5)cc4)no3)C2)cc1,NELLTJVYYHJUIS-UHFFFAOYSA-N
-rxn:4:214083:222538,Cc1ccc(S(=O)(=O)N2CCC(c3nc(-c4ccccc4-c4cc(C5CCCC5)nc(C5CCNCC5)c4)no3)CC2)cc1C,YZGMJCJYCLJGBL-UHFFFAOYSA-N
-rxn:4:214180:223589,Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1ccc2cc(C3CN(C(=O)OC(C)(C)C)C3)nn2c1,FWVWLXMXHGOKEK-UHFFFAOYSA-N
-rxn:4:214180:223904,CC(C)(C)OC(=O)N1CC(c2cccc(-c3ccc4cc(C5CN(C(=O)OC(C)(C)C)C5)nn4c3)c2)C1,GKPFFRRYOSVZFE-UHFFFAOYSA-N
-rxn:4:214202:222928,Cc1nc(N2CCC(O)CC2)ncc1-c1cnc([C@@H]2[C@H]3CC[C@H](C3)N2C(=O)OC(C)(C)C)nc1,MXICNZJEGFYXFG-CDXJDZJCSA-N
-rxn:4:214220:223883,CC(C)(C)OC(=O)N1CCCc2cc(-c3ccc4[nH]c(C5CCCN5C(=O)OC(C)(C)C)nc4c3)ccc21,DWRMOEAUMSDJJT-UHFFFAOYSA-N
-rxn:4:214273:223596,CC(C)(C)OC(=O)N1CCC(n2cnc3ccc(-c4ccc(Cl)cc4N4CCN(C(=O)OC(C)(C)C)CC4)cc32)CC1,JAIUDBPOCVGISC-UHFFFAOYSA-N
-rxn:4:214277:225898,CC(C)(C)OC(=O)N1CCC(n2ncc3cc(F)c(-c4cnn(CCN5CCOCC5)c4)cc32)CC1,AZXOAPHJKWMHSF-UHFFFAOYSA-N
-rxn:4:214304:226012,CC(C)(C)OC(=O)N1CCc2c(c(-c3ccc(OCC(F)(F)F)cc3F)nn2C2CCOCC2)C1,CEPHCMFVPZXOJO-UHFFFAOYSA-N
-rxn:4:214646:222538,CN1CCC(COc2ccnc(-c3cc(C4CCCC4)nc(C4CCNCC4)c3)n2)CC1,ISXSJCDWHCURKN-UHFFFAOYSA-N
-rxn:4:214678:222584,CCN1CCN(C(=O)c2cc(-c3ccc(OCCCN4CCNCC4)c(F)c3)cnc2Cl)CC1,GLJHWXVHVXNEGX-UHFFFAOYSA-N
-rxn:4:214684:223784,CCN1CCN(CCOc2ccc(-c3cc(C(=O)N4CCN(C)CC4)cc([N+](=O)[O-])c3)cc2F)CC1,ACARNMLMSSQBFE-UHFFFAOYSA-N
-rxn:4:214708:223523,CCN1CCN(S(=O)(=O)c2ccc(-c3cnc(OC4CCN(C5COC5)CC4)nc3)c3ccccc23)CC1,DIYIHICBXDCLQZ-UHFFFAOYSA-N
-rxn:4:214730:222849,N#Cc1cc(-c2ccc(N3CCN(S(=O)(=O)C4CC4)CC3)nc2)ccc1C1CCNCC1,XTLHEZSUYMYYEK-UHFFFAOYSA-N
-rxn:4:214773:223489,CC(C)N1CCN(S(=O)(=O)c2cncc(-c3ccc(S(=O)(=O)N4CCC(O[Si](C)(C)C(C)(C)C)CC4)cc3)c2)CC1,SLFDCFOVFMRWFP-UHFFFAOYSA-N
-rxn:4:214805:225552,CCN(C)c1cc(-c2ccc(N3CCCN(S(=O)(=O)C4CC4)CC3)nc2)cc(C2CC2)n1,YGPLDQVGWRDKAQ-UHFFFAOYSA-N
-rxn:4:214820:223723,CCC(CC)Oc1ccc(-c2ccc(-c3cnc(N4CCOC(C(=O)N5CCCC5)C4)c(F)c3)cc2)cc1,FIIVBVFQARKYNY-UHFFFAOYSA-N
-rxn:4:214829:222584,O=C(C1CN(c2ncccc2-c2ccc(OCCCN3CCNCC3)c(F)c2)CCO1)N1CCSCC1,QMPVLLILXNAJOL-UHFFFAOYSA-N
-rxn:4:214830:226231,CCCCOc1ncc(-c2ccc(N3CCOC(C(=O)N4CCSCC4)C3)nc2)cc1C,XAJIASWVKWOOHJ-UHFFFAOYSA-N
-rxn:4:214835:223787,CN1CCN(CCCOc2ccc(-c3cc(Cl)cnc3N3CCOC(C(=O)N4CCOCC4)C3)cc2F)CC1,OXFUDQRBAWZVQX-UHFFFAOYSA-N
-rxn:4:214835:226231,CCCCOc1ncc(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCOCC3)C2)cc1C,ZIFISJIQUJNQRG-UHFFFAOYSA-N
-rxn:4:214836:223649,CC(C)(C)OC(=O)N1CCN(c2cccc(-c3cc(Cl)cnc3N3CCOC(C(=O)N4CCSCC4)C3)c2)CC1,IQXJZCNHOMTANC-UHFFFAOYSA-N
-rxn:4:214838:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)c(F)c2)CC1,VRPWYUYJNGDLEN-UHFFFAOYSA-N
-rxn:4:214862:223951,CN1CCN(CCOc2ccc(-c3cncc(C(=O)N4CCCN(C5CCSC5)CC4)c3)cc2F)CC1,WJZVAYCUEKDUAZ-UHFFFAOYSA-N
-rxn:4:214867:222546,Cc1cc(-c2ccc(OCCNC3CCCCC3)c(F)c2)cnc1N1CCOC(C(=O)N2CCCC2)C1,DDJLTELXFQKLDX-UHFFFAOYSA-N
-rxn:4:214868:226231,CCCCOc1ncc(-c2cccnc2N2CCOC(C(=O)N3CCCCC3)C2)cc1C,IMSVOMXUVDUDNL-UHFFFAOYSA-N
-rxn:4:214871:227249,CCCOc1ccc(Cl)c(-c2cnc(N3CCCC(C(=O)N4CCOCC4)C3)c(Cl)c2)c1,RCBBCGPVQJPVQU-UHFFFAOYSA-N
-rxn:4:214872:226232,CN(C)CCOc1cccc(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCCCC3)C2)c1,NNNQDMPOGSOJRH-UHFFFAOYSA-N
-rxn:4:214873:225746,CC(C)(C)OC(=O)c1ncccc1-c1cnc(N2CCCC(C(=O)N3CCOCC3)C2)c(F)c1,NTPPJCJFHMIVKK-UHFFFAOYSA-N
-rxn:4:214873:226249,CCCCOc1cc(Cl)cc(-c2cnc(N3CCCC(C(=O)N4CCOCC4)C3)c(F)c2)c1,PJZHJMDYSOKCJF-UHFFFAOYSA-N
-rxn:4:214880:224196,CCN1CCN(Cc2cc(F)cc(-c3cnc(N4CCOC(C(=O)N5CCOCC5)C4)c(C)c3)c2)CC1,BAVGTHKHOLTHJN-UHFFFAOYSA-N
-rxn:4:215097:223526,CC1CN(C(=O)OC(C)(C)C)Cc2cnc(-c3ccc(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)cc3)n21,PJIDVZYYGMYVLT-UHFFFAOYSA-N
-rxn:4:215100:222637,CC(NC(=O)OC(C)(C)C)c1ccc(-c2cnc3n2CCN(C(=O)OC(C)(C)C)CC3)cc1,FJOWHNAOENDBPB-UHFFFAOYSA-N
-rxn:4:215102:223505,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(-c3cn4c(n3)CCN(C(=O)OC(C)(C)C)CC4)cc2)CC1,NTESMASGHHGTRB-UHFFFAOYSA-N
-rxn:4:215202:222466,O=S(=O)(c1ccc(-c2cc(C3CCCCC3)nc(C3CCNCC3)c2)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1,AZJOMCLJJDRUAK-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:4:215708:223670,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2cnc(C(=O)N3CCOCC3)nc2)CC1,ZAPNKURUGBJXMQ-UHFFFAOYSA-N
-rxn:4:215772:223650,CC(C)(C)OC(=O)N1CCN(c2ccccc2-c2cncc(N3CCC(C#N)CC3)c2)CC1,RGTLNNNEMSMMLJ-UHFFFAOYSA-N
-rxn:4:215822:223831,COc1ccc(-c2nc(C3CC3)cc(N3CCCC3)n2)cc1S(=O)(=O)N1CCC(C)CC1,GNNZIMZRLALZRD-UHFFFAOYSA-N
-rxn:4:215912:223697,CS(=O)(=O)N1CCN(c2ncc(-c3ccc(S(=O)(=O)N4CCCCC4)cc3C(F)(F)F)cc2Cl)CC1,FFQWVHFUBYMGTQ-UHFFFAOYSA-N
-rxn:4:215940:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3ccc(N4CCC(N(C)C)CC4)cn3)cc2)CC1,GQSWBLZSUMVBGU-UHFFFAOYSA-N
-rxn:4:215947:223699,CC(C)(C)c1cc(N2CCCC2)nc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2C(F)(F)F)n1,OBCAPQRXUXIFCN-UHFFFAOYSA-N
-rxn:4:215950:223952,CCN1CCN(c2ncc(C)cc2-c2ccc(OCCN3CCN(C)CC3)c(Cl)c2)CC1,MUYLFAYLEFPZDK-UHFFFAOYSA-N
-rxn:4:215966:222630,CC1CCN(c2cc(C3CC3)nc(-c3cc(C4CCC4)nc(C4CCNCC4)c3)n2)CC1,WYCOIJRBUYIALY-UHFFFAOYSA-N
-rxn:4:216267:224734,Cn1ncc(C(=O)N2CCCC3CCCCC32)c1-c1ccc(C(F)(F)F)cc1OCC1CC1,UNKXUKMKKHIJDL-UHFFFAOYSA-N
-rxn:4:216267:224826,CCOC(=O)c1cc(-c2c(C(=O)N3CCCC4CCCCC43)cnn2C)cnc1C(F)(F)F,CSEZJFKJYYVWKU-UHFFFAOYSA-N
-rxn:4:216317:223898,CCn1nc(C)c(N2C(=O)c3cccc4c(-c5ccc(N(C(=O)OC(C)(C)C)C(C)C)cc5)ccc(c34)C2=O)c1C,WRENHPNVNXSLFF-UHFFFAOYSA-N
-rxn:4:217088:223595,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3c(Cl)ncnc3N3CCOCC3)cc2F)CC1,YYOBWUFOEZDOTJ-UHFFFAOYSA-N
-rxn:4:218551:225522,CCCCOc1cc(OC)cc(-c2c(CN(C)C(=O)OC(C)(C)C)nn(C)c2C#N)c1,OMYPNNKZETYVBB-UHFFFAOYSA-N
-rxn:4:218589:225304,CC(C)(C)c1ncc(C(F)(F)F)cc1-c1cnc(OCC2CCCN(S(=O)(=O)c3ccc(C#N)cc3)C2)nc1,FOOHYAVWFPWSAM-UHFFFAOYSA-N
-rxn:4:218589:225799,N#Cc1ccc(S(=O)(=O)N2CCCC(COc3ncc(-c4cncc(OC5CCOCC5)c4)cn3)C2)cc1,JTCQGSMWBOGSPM-UHFFFAOYSA-N
-rxn:4:218600:223637,CC(C)(C)OC(=O)N1CCN(CCn2cc(-c3ccccc3C3CCCN(C(=O)OC(C)(C)C)C3)cn2)CC1,IQJFVPUKOPNVDH-UHFFFAOYSA-N
-rxn:4:218615:222426,CN(CC1CCN(C(=O)OC(C)(C)C)C1)c1cnc(-c2ccc3c(c2)C2(CCN(C(=O)OC(C)(C)C)CC2)C(=O)N3)cn1,BUFPBDJSLBDEOI-UHFFFAOYSA-N
-rxn:4:218615:222791,CN(CC1CCN(C(=O)OC(C)(C)C)C1)c1cnc(-c2cc(NC(=O)OC(C)(C)C)ccc2Cl)cn1,HDDHBNAMKWYZFT-UHFFFAOYSA-N
-rxn:4:218615:223687,CN(CC1CCN(C(=O)OC(C)(C)C)C1)c1cnc(-c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2)cn1,PRWNNWHBHDPKRY-UHFFFAOYSA-N
-rxn:4:218631:226589,CC(C)c1cnc(C(F)F)cc1-c1cnc(OCC2CCN(C3CCN(CC(F)(F)F)C3=O)CC2)nc1,DBNZHUITCCIRFS-UHFFFAOYSA-N
-rxn:4:218631:227853,Cn1ccc2c(-c3cnc(OCC4CCN(C5CCN(CC(F)(F)F)C5=O)CC4)nc3)cccc21,CUZPPQJNEVJEFQ-UHFFFAOYSA-N
-rxn:4:218652:223659,CN(CC1CCN(C(=O)OC(C)(C)C)CC1)c1cnc(-c2cnn(CC3CCN(C(=O)OC(C)(C)C)CC3)c2)cn1,UTUJMMHWNDEQMW-UHFFFAOYSA-N
-rxn:4:218656:223930,COc1cc(=O)n(C)cc1C(=O)N1CCCC(COc2ncc(-c3cc4cnn(C(=O)OC(C)(C)C)c4cc3C)cn2)C1,SPOLAHGGGOHWMY-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:4:218682:226297,CC(=O)N1CCC(C(=O)N2CCCC(COc3ncc(-c4ccc(F)c(COC(C)C)c4)cn3)C2)CC1,FCVUXZBNRKVKJW-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:4:218712:223295,Cc1ccc(S(=O)(=O)N2CCN(C(=O)CC(C)n3nc(C)c(-c4cncc(NS(C)(=O)=O)c4)c3C)CC2)c(C)c1,JWESIHHTCUSSSD-UHFFFAOYSA-N
-rxn:4:218714:222928,Cc1cc(C)c(S(=O)(=O)N2CCN(C(=O)CCn3nc(C)c(-c4cnc(N5CCC(O)CC5)nc4C)c3C)CC2)c(C)c1,VDANKSRYORRVGL-UHFFFAOYSA-N
-rxn:4:218714:223246,COc1ccc(-c2c(C)nn(CCC(=O)N3CCN(S(=O)(=O)c4c(C)cc(C)cc4C)CC3)c2C)c2cn[nH]c12,XMBQXFBIZAQZMS-UHFFFAOYSA-N
-rxn:4:218754:222791,CC(C)(C)OC(=O)Nc1ccc(Cl)c(-c2csc3c(=O)n(C4CCN(C(=O)OC(C)(C)C)CC4)c(=O)n(CC#N)c23)c1,KCEVXTZXLHPSES-UHFFFAOYSA-N
-rxn:4:218755:223185,CC(C)(C)OC(=O)N1CCC(n2c(=O)c3sc(-c4cnc(C5CNCCO5)nc4)cc3n(CC#N)c2=O)CC1,MADUCVLBBXOAJM-UHFFFAOYSA-N
-rxn:4:218777:223140,Cc1nn(C(C)CC(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)c(C)c1-c1ccnc(C2CCCNC2)c1,IASNELJWVFZYTJ-UHFFFAOYSA-N
-rxn:4:218781:222466,CC(C)CCn1c(=O)c2sccc2n2c(SCc3ccc(-c4cc(C5CCCCC5)nc(C5CCNCC5)c4)cc3)nnc12,FQCSUMOKOUBOKO-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:4:218899:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3cnc(OC4CCN(S(=O)(=O)c5ccc(C#N)cc5)CC4)nc3)c2)CC1,VZYZCKOGXYPMBM-UHFFFAOYSA-N
-rxn:4:218919:224713,CCCCOc1ccc(-c2cnccc2OC2CCN(C(=O)Cn3cnc(C)cc3=O)C2)c(C(F)(F)F)c1,DNJNAJNNRYHSHM-UHFFFAOYSA-N
-rxn:4:218919:224826,CCOC(=O)c1cc(-c2cnccc2OC2CCN(C(=O)Cn3cnc(C)cc3=O)C2)cnc1C(F)(F)F,VVKVJNOGWRECKC-UHFFFAOYSA-N
-rxn:4:218920:223671,COc1cnc(OC2CCN(C(=O)c3cncc(-c4ccnc(N5CCN(C(=O)OC(C)(C)C)CC5)c4)c3)CC2)nc1,WHKWQBHWVWGCDW-UHFFFAOYSA-N
-rxn:4:218970:223892,Cc1noc(C)c1C(=O)N1CCCC(COc2ncc(-c3ccc(OCCCN4CCN(C)CC4)cc3)cn2)C1,OFIRCWQKEBSRQM-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:4:218974:224752,Cc1cc(OCC2CCN(c3ncc(-c4ccc(S(=O)(=O)N5CCCC5)cc4C)cc3C#N)CC2)ccn1,CNAQJFQTMYVPLM-UHFFFAOYSA-N
-rxn:4:218998:225093,CCCOc1c(Cl)cc(-c2cnc(OCC3CCCN(C(=O)N4CCOCC4)C3)nc2)cc1OCC,VJXUTYPOQRCZRA-UHFFFAOYSA-N
-rxn:4:219002:222546,Cn1cccc(C(=O)N2CCCC(COc3ncc(-c4ccc(OCCNC5CCCCC5)c(F)c4)cn3)C2)c1=O,WSFHKTONXANYAW-UHFFFAOYSA-N
-rxn:4:219030:224759,CC(C)N1CCN(CCc2nc(-c3ccc(-c4cc(F)cc(C(=O)N5CCOCC5)c4)cc3)no2)CC1,LRQBTFOWJFCAKN-UHFFFAOYSA-N
-rxn:4:219046:223532,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)cc(-c3cnc(OCC4CCCN(C5CCN(C6CC6)C5=O)C4)nc3)c2)CC1,WCDPZSQBAPHFRQ-UHFFFAOYSA-N
-rxn:4:219048:223810,Cc1cc(-c2ccc(S(=O)(=O)N3CCC(N(c4ccncn4)C4CC4)CC3)cc2)cc(C)c1S(=O)(=O)N1CCC(C)CC1,JBRUQLHHTPTIAY-UHFFFAOYSA-N
-rxn:4:219062:223839,COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cccnc1OC1CCN(S(=O)(=O)c2c(C)nn(C(C)C)c2C)C1,UUGFTSUOCYRDHR-UHFFFAOYSA-N
-rxn:4:219077:224885,COc1ccc(C(=O)N2CCCN(c3cc(-c4ccc(-c5ccccc5CN5CCC(C)CC5)cc4)n[nH]3)CC2)cc1F,BKXVDTYHOWOGAB-UHFFFAOYSA-N
-rxn:4:219129:225172,Fc1ccc(CN2CCOCC2)cc1-c1cnc(OCC2CCCN(Cc3nc4c(s3)CCC4)C2)nc1,ZRFRFGCGPJYKFP-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:4:219203:224061,CCCC1CCC(c2ccc(-c3ccc4c(c3)C(c3ccccn3)=N[C@@H](CCC(=O)OC)c3ncc(C)n3-4)c(F)c2)CC1,ABKAOLARPNDFRS-ZPBULCBRSA-N
-rxn:4:219242:223480,Cc1cc(-c2cnnn2C2CN(C(=O)OC(C)(C)C)C2)cc(C)c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,XUSVFSHIHRVFAR-UHFFFAOYSA-N
-rxn:4:219312:223596,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)ccc2-c2cnc(OCC3CCCN(c4nccs4)C3)nc2)CC1,YELLSZNGARYWNG-UHFFFAOYSA-N
-rxn:4:219315:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cnc(N4CCC(COc5ccc(F)cn5)C4)nc3)c2Cl)CC1,ZTNACLPAVKECIU-UHFFFAOYSA-N
-rxn:4:219353:225552,CCN(C)c1cc(-c2cnc(OC3CCN(S(=O)(=O)N(C)C)CC3)nc2)cc(C2CC2)n1,YODBIOFTXTVQSQ-UHFFFAOYSA-N
-rxn:4:219353:225607,CC(c1ccc(-c2cnc(OC3CCN(S(=O)(=O)N(C)C)CC3)nc2)s1)N1CCCCC1,CXMPKNBSCGUKIP-UHFFFAOYSA-N
-rxn:4:219353:225638,CC1CCN(c2ccc(-c3cnc(OC4CCN(S(=O)(=O)N(C)C)CC4)nc3)cn2)CC1,NQGYKVHAAVDKPA-UHFFFAOYSA-N
-rxn:4:219353:225641,CC1CCCN(c2cc(-c3cnc(OC4CCN(S(=O)(=O)N(C)C)CC4)nc3)ccn2)C1,URBRNODHQVUBKK-UHFFFAOYSA-N
-rxn:4:219354:225565,CN(C1CCN(c2ncc(-c3cccc(OCC4CCCO4)c3)cn2)C1)S(=O)(=O)C1CC1,SWSPWVYNDMNJNU-UHFFFAOYSA-N
-rxn:4:219354:225597,CN(C1CCN(c2ncc(-c3ccc(OC4CCCCC4)nc3)cn2)C1)S(=O)(=O)C1CC1,KOONWXGRMXJUBP-UHFFFAOYSA-N
-rxn:4:219354:225613,CN(C1CCN(c2ncc(-c3ccnc(OC4CCCCC4)c3)cn2)C1)S(=O)(=O)C1CC1,VXRFSLKTONVBIT-UHFFFAOYSA-N
-rxn:4:219354:225623,CN(C1CCN(c2ncc(-c3cccc(OC4CCOCC4)c3)cn2)C1)S(=O)(=O)C1CC1,PCFINCGECDIEOA-UHFFFAOYSA-N
-rxn:4:219377:222584,CCn1ccnc1N1CCN(C(=O)c2ccc(-c3ccc(OCCCN4CCNCC4)c(F)c3)o2)CC1,UWDBVOYXXPGWPH-UHFFFAOYSA-N
-rxn:4:219402:222546,CC(C)(C)OC(=O)N1CCN(c2cnc(-c3ccc(OCCNC4CCCCC4)c(F)c3)cn2)CC1,IUZQZMYZHSRGHG-UHFFFAOYSA-N
-rxn:4:219406:222546,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3ccc(OCCNC4CCCCC4)c(F)c3)n2)CC1,BASLMAPZRSDALQ-UHFFFAOYSA-N
-rxn:4:219410:228140,CC(c1ccc(-c2cnc(OC3CCN(S(=O)(=O)N4CCOCC4)C3)nc2)s1)N(C)C,LWMAQHDWODKHJB-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:4:219497:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cnc(N4CCOC(C(=O)N5CCCCC5)C4)c(C#N)c3)c2Cl)CC1,QERDAUVBSSPXNZ-UHFFFAOYSA-N
-rxn:4:219499:222584,N#Cc1cc(-c2ccc(OCCCN3CCNCC3)c(F)c2)cnc1N1CCCC(C(=O)N2CCOCC2)C1,RAZVWTMNIDSYPS-UHFFFAOYSA-N
-rxn:4:219501:227298,CSc1ncc(-c2cc(F)ccc2CN(C)C)c(N2CCOC(C(=O)N3CCOCC3)C2)n1,FHCOSYJYUHDVJZ-UHFFFAOYSA-N
-rxn:4:219501:227308,CSc1ncc(-c2cc(Cl)ccc2CN(C)C)c(N2CCOC(C(=O)N3CCOCC3)C2)n1,JRKSCVBFCDAEBI-UHFFFAOYSA-N
-rxn:4:219530:222584,O=C1C(N2CCC(Oc3ncc(-c4ccc(OCCCN5CCNCC5)c(F)c4)cn3)CC2)CCN1C1CC1,RLXPFHGYVGZFNX-UHFFFAOYSA-N
-rxn:4:219533:223421,CNC(C)c1ccc(-c2cnc(SC)nc2N2CCCC(C(=O)N3CCOCC3)C2)s1,JASVMUQRBMEVRM-UHFFFAOYSA-N
-rxn:4:219535:224818,Cn1cc(S(=O)(=O)N2CCCN(C(=O)c3ccccc3-c3ccc(S(=O)(=O)N4CCSCC4)cc3)CC2)cn1,PAQOOTWIQKBWAF-UHFFFAOYSA-N
-rxn:4:219543:224376,Cc1cc(C)c(C#N)c(N2CCN(S(=O)(=O)c3ccc(-c4cccc(S(=O)(=O)N5CCN(C)CC5)c4)cc3)CC2)n1,SRYBURTWURLMFO-UHFFFAOYSA-N
-rxn:4:219560:223662,Cc1nc(S(=O)(=O)N2CCCN(C(=O)c3ccccc3-c3ccc(C(=O)OCc4ccccc4)cc3[N+](=O)[O-])CC2)cn1C,BBVUFNUQBDEKAE-UHFFFAOYSA-N
-rxn:4:219561:223790,CC(C)(C)OC(=O)N1CCCC1c1cncc(-c2cncc(C(=O)N3CCC(n4nc(-c5ccccc5)ccc4=O)CC3)c2)c1,UOCFLHAKQWEHPC-UHFFFAOYSA-N
-rxn:4:219619:223839,COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cnc2c(c1)c(C(=O)N(C)OC)nn2C1CCCCO1,FGNVJTFUCKIQFQ-UHFFFAOYSA-N
-rxn:4:219630:222725,CCNS(=O)(=O)c1ccc(-c2cc(C#N)c3[nH]nc(C4CCN(S(=O)(=O)CC)CC4)c3c2)c(C(F)(F)F)c1,DEOWZLNAKBDBHD-UHFFFAOYSA-N
-rxn:4:219653:225709,CN(C)CCCOc1ccc(-c2ccc3nc(N4CCN(C(=O)OC(C)(C)C)CC4)sc3n2)cn1,RBDRZIFPMPIKCB-UHFFFAOYSA-N
-rxn:4:219687:223502,CC(C)(C)OC(=O)N1CCC(n2nnc3ccc(-c4ccc(C(=O)N5CCN(C(=O)OC(C)(C)C)CC5)c(F)c4)cc32)CC1,PQPXZBIPIAONBO-UHFFFAOYSA-N
-rxn:4:219688:225982,CC(C)(C)OC(=O)N1CCC(c2nc3ccc(-c4cnc(N5CCOCC5)cc4F)cn3n2)CC1,BUYRKAHJMLSNRK-UHFFFAOYSA-N
-rxn:4:219689:225882,CC(C)(C)OC(=O)N1CCN(c2ccc3ncc(-c4cnc(Cl)c(C5CCOCC5)c4)n3c2)CC1,YCVGCTPZALPFCW-UHFFFAOYSA-N
-rxn:4:219689:225980,CC(C)(C)OC(=O)N1CCN(c2ccc3ncc(-c4cc(N5CCOCC5)ncc4F)n3c2)CC1,PZXWHLKTXMTNPN-UHFFFAOYSA-N
-rxn:4:219742:225192,O=C(c1cncc(-c2cc(OC3CCCCC3)ncc2F)c1)N1CCC(Cn2nc3c(cc2=O)CCC3)CC1,BCZDHWKIZJISHZ-UHFFFAOYSA-N
-rxn:4:219931:225552,CCN(C)c1cc(-c2cnc(N3CCCN(S(=O)(=O)C4CC4)CC3)nc2)cc(C2CC2)n1,DBZKILAIPYVANJ-UHFFFAOYSA-N
-rxn:4:219991:225910,CCOc1cc(C(F)(F)F)ccc1-c1cncc(C(=O)N2CCC(N3CC(=O)N(C)C3=O)CC2)c1,LBPWSVVLLIQQLH-UHFFFAOYSA-N
-rxn:4:220040:224666,CN1CCN(Cc2cc(-c3nc4n(n3)CCN(C(=O)OC(C)(C)C)C4)ccc2F)CC1,HMNUFIFNCSTCHJ-UHFFFAOYSA-N
-rxn:4:220136:222537,O=S(=O)(C1CC1)N1CCN(c2ncnc3ccc(-c4cc(C5CCCC5)nc(C5CCCNC5)c4)cc23)CC1,WLKSLPUDDOMWBS-UHFFFAOYSA-N
-rxn:4:220136:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3ccc4ncnc(N5CCN(S(=O)(=O)C6CC6)CC5)c4c3)c2)CC1,QGWAKRQCSFBVAW-UHFFFAOYSA-N
-rxn:4:220205:226713,COCCOc1cc(-c2ccc3nc(N4CCOC(C(=O)N5CCOCC5)C4)ncc3c2)c(F)cn1,VNKSRDXGBCFPAR-UHFFFAOYSA-N
-rxn:4:220221:225977,CN1CCN(C(=O)c2cc3n(n2)CC(c2ccc(-c4cc(Cl)cnc4N4CCOCC4)cc2)OC3)CC1,VEIGTZNPGPAKOI-UHFFFAOYSA-N
-rxn:4:220414:224752,Cc1cc(S(=O)(=O)N2CCCC2)ccc1-c1cnc(N2CCN(C)CC2)c([N+](=O)[O-])c1C,VDZJJSHVTCZYDL-UHFFFAOYSA-N
-rxn:4:220429:224917,Cc1cc(N2CCC(C)CC2)ccc1-c1cnc(N2CCCN(C3CCOC3)CC2)nc1,HDYSPFDJBHJCNV-UHFFFAOYSA-N
-rxn:4:220430:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3cnc(N4CCCN(C5CCSC5)CC4)nc3)c2)CC1,HALVJASUATYUQB-UHFFFAOYSA-N
-rxn:4:220545:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3cnc(N4CCC(N5CCc6sccc6C5)CC4)nc3)c2)CC1,CXTWYOPHKNEEJK-UHFFFAOYSA-N
-rxn:4:221106:223872,CCN(C(=O)c1cccc(-c2cncc(C(=O)N3CCC(CN(C)c4nccnc4OC)CC3)c2)c1)C1CCCCC1,HLLFKTPLESBKLO-UHFFFAOYSA-N
-rxn:4:221107:223812,Cc1ncn(CC(=O)N2CCCC(COc3ncc(-c4cc(F)cc(CN5CCC6(CC5)OCCO6)c4)cn3)C2)c(=O)c1C,DZZYUYNWVHFUJG-UHFFFAOYSA-N
-rxn:4:221126:223538,CCOC(=O)C1CCCN(c2nc3c(S(=O)(=O)c4ccc(-c5ccnc6c5cc(C(F)F)n6S(=O)(=O)c5ccccc5)cc4)nnn3c3ccsc23)C1,OJRMKHBHRYWYKM-UHFFFAOYSA-N
-rxn:4:221127:222853,CCOC(=O)C1CCN(c2nc3c(S(=O)(=O)c4ccc(-c5ccc(CN6CCC(O)CC6)cc5)cc4)nnn3c3ccsc23)CC1,CNHMXMYZOXZDPV-UHFFFAOYSA-N
-rxn:4:221127:226366,CCOC(=O)C1CCN(c2nc3c(S(=O)(=O)c4ccc(-c5ccnc(N6CCCCC6)c5)cc4)nnn3c3ccsc23)CC1,RLPDWKHMZVGQIW-UHFFFAOYSA-N
-rxn:4:221153:222684,N#Cc1ccnc(OCC2CCCN(c3ncc(-c4ccc(OCCN5CCNCC5)c(Cl)c4)cn3)C2)c1,LZZXMQCWRHOIBP-UHFFFAOYSA-N
-rxn:4:221169:222673,Cn1cc(S(=O)(=O)N2CCCC(COc3ncc(-c4cc(C(=O)NC5CCCCC5)ccc4Cl)cn3)C2)cn1,QSAUBHHWMVUJPR-UHFFFAOYSA-N
-rxn:4:221169:222747,Cn1cc(S(=O)(=O)N2CCCC(COc3ncc(-c4ccc(C(=O)NCC5CCCO5)cc4)cn3)C2)cn1,FKMPYYYDPVXQMN-UHFFFAOYSA-N
-rxn:4:221169:222931,Cn1cc(S(=O)(=O)N2CCCC(COc3ncc(-c4cnc(Cl)c(N5CCCCC5O)c4)cn3)C2)cn1,LCNLOGYEDFZOPM-UHFFFAOYSA-N
-rxn:4:221170:222723,CCc1cnc(N2CCCC(COc3ncc(-c4cccc(NS(=O)(=O)N5CCOCC5)c4)cn3)C2)nc1,SWMOHMBAPWSFJP-UHFFFAOYSA-N
-rxn:4:221172:223650,Cn1nc(C(=O)N2CCC(COc3ncc(-c4ccccc4N4CCN(C(=O)OC(C)(C)C)CC4)cn3)CC2)ccc1=O,QUPPYGRJVOIASA-UHFFFAOYSA-N
-rxn:4:221173:223812,Cn1nc(C(=O)N2CCCC(COc3ncc(-c4cc(F)cc(CN5CCC6(CC5)OCCO6)c4)cn3)C2)ccc1=O,PSNJBGHBYNHZRA-UHFFFAOYSA-N
-rxn:4:221182:228491,COCCN1C(=O)CN(C2CCN(c3ncc(-c4cn(C)c(=O)n(C)c4=O)cn3)CC2)C1=O,CSSJGXXROZIPMZ-UHFFFAOYSA-N
-rxn:4:221237:223531,Cc1[nH]c2ccccc2c1C(=O)CSc1nnc2c(=O)n(-c3ccc(-c4ccc(CN5CCN(C(=O)OC(C)(C)C)CC5)c(Cl)c4)cc3)ccn12,AJPJMCZXEDECAK-UHFFFAOYSA-N
-rxn:4:221269:222581,CCOC(=O)Cn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3ccc(S(=O)(=O)NC(C)C)c4ccccc34)cc2)n(C)c1=O,DXOGYMOHTZJQHA-UHFFFAOYSA-N
-rxn:4:221272:225984,CCCCCn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3cnc(Cl)c(N4CCOCC4)c3)cc2)n(C)c1=O,RRBSAIIEQKMENE-UHFFFAOYSA-N
-rxn:4:221368:223533,CCc1cc(N2CCC(Oc3ncc(-c4ccc(CN5CCN(C(=O)OC(C)(C)C)CC5)cc4F)cn3)CC2)ncn1,PNZZLJCDBDXNLS-UHFFFAOYSA-N
-rxn:4:221387:223595,Cc1ncnc(OCC2CCN(c3ncc(-c4ccc(N5CCN(C(=O)OC(C)(C)C)CC5)c(F)c4)cn3)CC2)c1C,RKWWENWPLAHZLE-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:4:221388:224330,Cc1cc(N2CCCC(COc3ncc(-c4ccc(Cl)c(C(=O)N5CCC(=O)CC5)c4)cn3)C2)nc(C)n1,AXIODYVGKPOINB-UHFFFAOYSA-N
-rxn:4:221394:222790,CC(C)(C)OC(=O)Nc1cc(Cl)cc(-c2cnc(N3CCC(Cn4nc(C5CC5)ccc4=O)CC3)nc2)c1,RBLVDWHJEMFSGS-UHFFFAOYSA-N
-rxn:4:221404:224322,CC1CCN(S(=O)(=O)c2ccc(-c3cccc(CN4CCN(c5ccnc(N(C)C)n5)CC4)c3)cc2)CC1,JTBUERDXPJVJDX-UHFFFAOYSA-N
-rxn:4:221412:223501,Cc1nc(C)c(C)c(OCC2CCN(c3ncc(-c4ccc(C(=O)N5CCN(C(=O)OC(C)(C)C)CC5)c(Cl)c4)cn3)CC2)n1,IYUZMFCDVHKRIK-UHFFFAOYSA-N
-rxn:4:221413:226491,COCCOc1cc(Cl)cc(-c2ccc(C(=O)N3CCN(c4cc(N5CCOCC5)ncn4)CC3)o2)c1,URIODMNGTAIGIM-UHFFFAOYSA-N
-rxn:4:221413:226492,COCCOc1ccc(Cl)c(-c2ccc(C(=O)N3CCN(c4cc(N5CCOCC5)ncn4)CC3)o2)c1,AGTLMOGCWCYIKJ-UHFFFAOYSA-N
-rxn:4:221413:226713,COCCOc1cc(-c2ccc(C(=O)N3CCN(c4cc(N5CCOCC5)ncn4)CC3)o2)c(F)cn1,RHVGDXNMDLZPIP-UHFFFAOYSA-N
-rxn:4:221418:222584,Cc1ccccc1-c1ccc(N2CCN(C(=O)c3cncc(-c4ccc(OCCCN5CCNCC5)c(F)c4)c3)CC2)nn1,AOUQYWDMCFAAHA-UHFFFAOYSA-N
-rxn:4:221426:226686,Cc1cnn(C2CCCCO2)c1-c1ccccc1CN1CCN(c2nccc(N3CCOCC3)n2)CC1,MTMUPAQAJUVJSL-UHFFFAOYSA-N
-rxn:4:221432:222719,Cc1cc(N2CCCC2)nc(N2CCN(C(=O)c3cccc(-c4cc(C5CCCNC5)nc(C(F)(F)F)c4)c3)CC2)n1,QXVXWDFHCPLCDU-UHFFFAOYSA-N
-rxn:4:221447:223839,COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1ccc(CN2CCN(c3cc(C)nc(N4CCOCC4)n3)CC2)cc1,NMXDRGKWEQSEHN-UHFFFAOYSA-N
-rxn:4:221453:225947,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4cnc(N5CCN(C)CC5)nc4)cc3)CC2)n1,LWXCTGRIWQOBSI-UHFFFAOYSA-N
-rxn:4:221639:223533,Cc1ccc(=O)n(CC2CCN(c3ncc(-c4ccc(CN5CCN(C(=O)OC(C)(C)C)CC5)cc4F)cn3)CC2)n1,ARCVVZFAPALEBS-UHFFFAOYSA-N
-rxn:4:221723:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cnc(N4CCC(Cn5nc6c(cc5=O)CCC6)CC4)nc3)ccn2)CC1,FOLLBAKMCGASQE-UHFFFAOYSA-N
-rxn:4:221726:222987,Cc1nc(C2CCNCC2)ccc1-c1cnc(N2CCC(N(C)C3=NS(=O)(=O)c4ccccc43)CC2)nc1,POLUKHSRSWWWAA-UHFFFAOYSA-N
-rxn:4:221726:224953,CN(C1=NS(=O)(=O)c2ccccc21)C1CCN(c2ncc(-c3ccc(OCC4CCCCC4)nc3)cn2)CC1,OJPGXLCUEQETKA-UHFFFAOYSA-N
-rxn:4:221726:224991,CN(C1=NS(=O)(=O)c2ccccc21)C1CCN(c2ncc(-c3cc(C4CC4)nc(N4CCCC4)c3)cn2)CC1,JNHCWZRHXIDXLE-UHFFFAOYSA-N
-rxn:4:221726:225003,COc1cc(N2CCCCC2)ccc1-c1cnc(N2CCC(N(C)C3=NS(=O)(=O)c4ccccc43)CC2)nc1,MPYQPSXPPISKLG-UHFFFAOYSA-N
-rxn:4:221726:225829,CC1CCN(c2ncc(-c3cnc(N4CCC(N(C)C5=NS(=O)(=O)c6ccccc65)CC4)nc3)cn2)CC1,RPRJVWMAMPVDHG-UHFFFAOYSA-N
-rxn:4:221726:226661,CN1CCN(c2csc(-c3cnc(N4CCC(N(C)C5=NS(=O)(=O)c6ccccc65)CC4)nc3)c2)CC1,YMAWNWBIWLEFPG-UHFFFAOYSA-N
-rxn:4:221752:222634,CCCn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3ccc(OCCNC4CCCC4)c(F)c3)cc2)n(C)c1=O,RGONYAAXEIOBGL-UHFFFAOYSA-N
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-rxn:4:222389:206906,CC1CCN(Cc2cncc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)c2)CC1,UCQTWASPGQOGMA-UHFFFAOYSA-N
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-rxn:4:222741:203897,CCS(=O)(=O)N1CCN(c2cccc(-c3cc(C4CC4)nc(C4CCCNC4)c3)c2)CC1,LFBWUDFRDKEKDO-UHFFFAOYSA-N
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-rxn:4:222811:174522,CC(C)[Si](C#Cc1ccc(-c2cc(Cl)nc(NC(=O)OC(C)(C)C)c2)cc1)(C(C)C)C(C)C,KNWSIMRVPXJCFX-UHFFFAOYSA-N
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-rxn:4:222850:214731,N#Cc1ccc(C2CCNCC2)cc1-c1cccnc1N1CCN(S(=O)(=O)C2CC2)CC1,HPIQKXPMSSXMBJ-UHFFFAOYSA-N
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-rxn:4:223520:188807,COC(=O)C(C)c1cccc(-c2ccc(C(C)N3CCN(C(=O)OC(C)(C)C)CC3)cc2)n1,BPABTJSYJNVYKZ-UHFFFAOYSA-N
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-rxn:4:223570:173926,C#Cc1cc(F)c(OC(C)C(=O)OC)c(-c2c(F)ncc3c2ccn3[Si](C(C)C)(C(C)C)C(C)C)c1,MDLNJEDQCPUMOJ-UHFFFAOYSA-N
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-rxn:4:223830:176426,CCN1CCN(S(=O)(=O)c2cc(-c3cc(OC(F)F)ccc3C(F)(F)F)ccc2C)CC1,PIQFFBMQUQLAJA-UHFFFAOYSA-N
-rxn:5:176865:226330:225978,COC(=O)c1cc(-c2ccc(N3CCOCC3)nc2F)cc(OC)c1-c1ccc(C(C)N2CCCC2)s1,ZOBAPRICXLOFKN-UHFFFAOYSA-N
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-rxn:5:177736:223064:226663,CC(C)(C)OC(=O)c1ccc(-c2ccc(N3CCSCC3)nc2)c(-c2ccc(C3CCNCC3)nc2F)c1,IWQRFQCTZJZYJR-UHFFFAOYSA-N
-rxn:5:177736:225985:225925,Cc1ccc(S(=O)(=O)N(C)C)cc1-c1ccc(C(=O)OC(C)(C)C)cc1-c1cccc(N2CCCS2(=O)=O)c1,GVXMNQXBGOKISJ-UHFFFAOYSA-N
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-rxn:5:177737:223061:226794,CC(C)(C)OC(=O)c1cc(-c2cnc(N3CCSCC3)nc2)ccc1-c1cc(C2CCNCC2)ncc1F,PLADIXJPDYIVRZ-UHFFFAOYSA-N
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-rxn:5:177891:225441:223186,CC(C)(C)c1ncc(C2CC2)cc1-c1ccccc1C(=O)SC1CS(=O)(=O)CC1c1cnn(C2CCCCO2)c1,FAGRBZPYCSJXKD-UHFFFAOYSA-N
-rxn:5:178295:226035:227940,CCc1cc(SC)cc(-c2ccc(-c3c(OC)ccc(C(F)(F)F)c3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,YUSZEWGAYZGSJP-UHFFFAOYSA-N
-rxn:5:178295:226068:228606,CCc1ccc(F)c(-c2ccc(-c3c(C)cc(C(C)(C)C)cc3C)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,QEJJUDALBSVDMF-UHFFFAOYSA-N
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-rxn:5:178295:226782:227933,CCc1ccc(OC)cc1-c1ccc(-c2cc(F)c(C(=O)OC)cc2F)c(C2(C(=O)OC)CCC(=O)CC2)c1,XOSKXUIDQASPHU-UHFFFAOYSA-N
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-rxn:5:178295:227315:227761,COC(=O)C1(c2cc(-c3ccc(F)cc3C(F)(F)F)ccc2-c2cnc(CC(C)C)cc2F)CCC(=O)CC1,OISYZSRJGWYBFZ-UHFFFAOYSA-N
-rxn:5:178295:227518:227816,CCCc1ccc(-c2ccc(-c3ccc(OC)c(C#N)c3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(C)c1,CGNNUDALOQPJHD-UHFFFAOYSA-N
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-rxn:5:178295:227588:228419,COC(=O)C1(c2cc(-c3cc(F)c(SC)cc3F)ccc2-c2c(OC)cc(F)cc2OC)CCC(=O)CC1,BRSNLFULDBOAIV-UHFFFAOYSA-N
-rxn:5:178295:227724:227313,CCC(C)c1cc(-c2ccc(-c3cc(OC(F)F)ccc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)cn1,ACDSHALGCLMTSC-UHFFFAOYSA-N
-rxn:5:178295:228141:227561,CCCc1cc(F)c(-c2ccc(-c3cc(OC)c(OC)cc3F)cc2C2(C(=O)OC)CCC(=O)CC2)cn1,CHYOLIIRROODHT-UHFFFAOYSA-N
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-rxn:5:178467:226679:223242,CCOC(=O)C1=Cc2cc(-c3ccnc(C4CCNC4)c3)cc(-c3cnc(N4CCCC4)cc3F)c2OC1,GZUAPLFRPSBZND-UHFFFAOYSA-N
-rxn:5:178467:226794:226679,CCOC(=O)C1=Cc2cc(-c3cnc(N4CCCC4)cc3F)cc(-c3cnc(N4CCSCC4)nc3)c2OC1,FFSTVBMPKCIHJR-UHFFFAOYSA-N
-rxn:5:178467:227298:226665,CCOC(=O)C1=Cc2cc(-c3cnc(C4CCCOC4)nc3)cc(-c3cc(F)ccc3CN(C)C)c2OC1,NLLFOWIXYJFJGR-UHFFFAOYSA-N
-rxn:5:178467:227303:226665,CCOC(=O)C1=Cc2cc(-c3cnc(C4CCCOC4)nc3)cc(-c3cccc(CN(C)C)c3F)c2OC1,IIVGQHVWCJKDKC-UHFFFAOYSA-N
-rxn:5:178467:227387:225834,CCOC(=O)C1=Cc2cc(-c3cc(N4CCCCC4)ncc3F)cc(-c3ccnc(N4CCCC4)c3)c2OC1,ZFKJCMVRYLIWJA-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:5:180297:225633:226774,COc1cc(-c2ccc(N3CCCCCC3)nc2)c(C2(C)OCCO2)cc1-c1ccc(OC(F)=C(F)F)cc1,BSSIJEQYOYYYDJ-UHFFFAOYSA-N
-rxn:5:180421:225832:223242,Cc1nn(C2CCCCO2)c(C)c1-c1cc(CC2CCCCC2)ccc1-c1ccnc(C2CCNC2)c1,ATTSESXXKZONTQ-UHFFFAOYSA-N
-rxn:5:180422:223146:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(CC2CCCCC2)ccc1-c1cccc(C2CNCCO2)c1,MDVORWSIUGJZCR-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:5:181626:225607:226686,Cc1cnn(C2CCCCO2)c1-c1cccc(-c2ccc(C(C)N3CCCCC3)s2)c1C1OCCO1,GBWPIVQKODZSSP-UHFFFAOYSA-N
-rxn:5:181906:222981:226686,Cc1ccc(-c2ccnc(NC3CCCCC3)c2)c(C2OCCO2)c1-c1c(C)cnn1C1CCCCO1,WPAXEOWYBDFCMI-UHFFFAOYSA-N
-rxn:5:181908:225407:225684,Cc1cc(-c2ccc(C3CCCCCC3)cc2)c(-c2ccc(C3CCOCC3)nc2C)cc1C1OCCO1,YUXOJNWELVGDHD-UHFFFAOYSA-N
-rxn:5:182012:225407:222960,Cc1cc(-c2ccc(-c3ccc(C4CCCCCC4)cc3)cc2C2CCCOC2)cc(C2CCNCC2)c1,RRCFTHQCFCJZMC-UHFFFAOYSA-N
-rxn:5:182012:227386:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2cnn(C3CCCCC3)c2)cc1C1CCCOC1,VMLTWKTXAUOABR-UHFFFAOYSA-N
-rxn:5:183066:225943:225592,O=C1CCCc2c1ccc(-c1ccc(C(=O)N3CCOCC3)s1)c2-c1cc(F)ccc1CN1CCCC1,CCUYHJOVDROKCV-UHFFFAOYSA-N
-rxn:5:188446:223136:225880,COC(=O)c1cc(-c2ccncc2C2CCCNC2)c(-c2cc(C3CCOCC3)ncc2F)c([N+](=O)[O-])c1,FDXXQRMDTRJOMS-UHFFFAOYSA-N
-rxn:5:188446:223136:225976,COC(=O)c1cc(-c2ccncc2C2CCCNC2)c(-c2ccnc(N3CCOCC3)c2F)c([N+](=O)[O-])c1,DVDLOHALOYASMF-UHFFFAOYSA-N
-rxn:5:188446:223141:225880,COC(=O)c1cc(-c2cncc(C3CCNCC3)c2)c(-c2cc(C3CCOCC3)ncc2F)c([N+](=O)[O-])c1,JBCNKBFXNVRTHI-UHFFFAOYSA-N
-rxn:5:188461:225943:226850,COC(=O)c1cc([N+](=O)[O-])cc(-c2ccc(C(=O)N3CCOCC3)s2)c1-c1cc(OC)nc(C(F)(F)F)c1,YJHYWAVSDDDECO-UHFFFAOYSA-N
-rxn:5:188787:225814:226759,COc1cc(-c2cc(OC3CC3)c([N+](=O)[O-])cc2-c2cccc(C3(C(F)(F)F)CC3)c2)cc(C(F)(F)F)c1,GLWXIFDDXHZABL-UHFFFAOYSA-N
-rxn:5:188932:222981:227491,COC(=O)c1cc(-c2cnc(OC3CCC3)nc2)c(S(N)(=O)=O)c(-c2ccnc(NC3CCCCC3)c2)c1,OLVXNWZXWWKGGH-UHFFFAOYSA-N
-rxn:5:188932:223135:223138,COC(=O)c1cc(-c2ccnc(C3CCNCC3)c2)c(S(N)(=O)=O)c(-c2cccnc2C2CCCNC2)c1,UQRVVLUIZJOKSR-UHFFFAOYSA-N
-rxn:5:189078:225976:226654,CCN(C)C(=O)c1cc(-c2ccnc(N3CCOCC3)c2F)ccc1-c1csc(N2CCC(C)CC2)n1,HJYINBIFQVZMEP-UHFFFAOYSA-N
-rxn:5:189079:226654:223064,CCN(C)C(=O)c1ccc(-c2ccc(C3CCNCC3)nc2F)c(-c2csc(N3CCC(C)CC3)n2)c1,RZRDZSQNYADVMY-UHFFFAOYSA-N
-rxn:5:189079:226654:225834,CCN(C)C(=O)c1ccc(-c2cc(N3CCCCC3)ncc2F)c(-c2csc(N3CCC(C)CC3)n2)c1,ZGPJKRJRGAKPHC-UHFFFAOYSA-N
-rxn:5:189079:226654:225881,CCN(C)C(=O)c1ccc(-c2ccc(C3CCOCC3)nc2F)c(-c2csc(N3CCC(C)CC3)n2)c1,WBWWFWRTIAGCLM-UHFFFAOYSA-N
-rxn:5:189207:226600:225703,CCOc1c(F)c(C)cc(-c2ccc(-c3ccc4sc(C(=O)OC)cc4c3)c(C(=O)ON3C(=O)CCC3=O)c2)c1F,ZKDAEIQYDUFVHH-UHFFFAOYSA-N
-rxn:5:189207:227074:223270,CCOc1c(C)cc(C)cc1-c1ccc(-c2ccc(F)cc2NC(C)=O)c(C(=O)ON2C(=O)CCC2=O)c1,OKKCEBIKVIROJS-UHFFFAOYSA-N
-rxn:5:189208:227115:227020,Cc1cc(-c2ccc(C(=O)ON3C(=O)CCC3=O)c(-c3cncc(C#CC4CC4)c3)c2)c(F)cc1C1CC1,WORHWORCDHBDSU-UHFFFAOYSA-N
-rxn:5:189211:226861:228376,N#Cc1c(F)cc(-c2c(C(=O)ON3C(=O)CCC3=O)cccc2-c2ccc(OC(F)(F)F)c(F)c2)cc1F,IZUOGDKTENOVAY-UHFFFAOYSA-N
-rxn:5:189211:227408:227284,N#Cc1cc(-c2c(C(=O)ON3C(=O)CCC3=O)cccc2-c2cc(C3CCC3)ncc2F)c(C2CC2)cn1,YGUHPWKATXHMGZ-UHFFFAOYSA-N
-rxn:5:189212:225640:228236,CC1CCCCN1c1cc(-c2cc(C(=O)ON3C(=O)CCC3=O)ccc2-c2ccnc(F)c2C2CC2)ccn1,LTPLZTHCKRJZQK-UHFFFAOYSA-N
-rxn:5:189212:228236:225507,COC(=O)C1CCc2cc(-c3ccc(C(=O)ON4C(=O)CCC4=O)cc3-c3ccnc(F)c3C3CC3)ccc21,MWKBNPMXYCSEDK-UHFFFAOYSA-N
-rxn:5:189212:228236:225640,CC1CCCCN1c1cc(-c2ccc(C(=O)ON3C(=O)CCC3=O)cc2-c2ccnc(F)c2C2CC2)ccn1,ZIHMYIYYSQPEIN-UHFFFAOYSA-N
-rxn:5:189540:226662:225976,COC1CN(Cc2cc(-c3ccc(N4CCN(C)CC4)s3)ccc2-c2ccnc(N3CCOCC3)c2F)C1,QLCVZNCCDUFYAL-UHFFFAOYSA-N
-rxn:5:189662:227303:226654,CC1CCN(c2nc(-c3ncc(-c4cccc(CN(C)C)c4F)cc3OCC3CCOCC3)cs2)CC1,DTIKDIUYYZHWRA-UHFFFAOYSA-N
-rxn:5:189662:227803:223294,CN(C)S(=O)(=O)n1nccc1-c1cnc(-c2csc(N3CCNCC3)n2)c(OCC2CCOCC2)c1,DSVPTAAUINATNC-UHFFFAOYSA-N
-rxn:5:189662:227803:227103,CN(C)S(=O)(=O)n1nccc1-c1cnc(-c2sccc2C2CCCCC2)c(OCC2CCOCC2)c1,ZYCDDZYLKNVLAI-UHFFFAOYSA-N
-rxn:5:189665:223138:227803,CN(C)S(=O)(=O)n1nccc1-c1cc(-c2ccnc(C3CCNCC3)c2)cnc1OCC1CCOCC1,SLGPUFVBXGGEON-UHFFFAOYSA-N
-rxn:5:189665:227803:223138,CN(C)S(=O)(=O)n1nccc1-c1cnc(OCC2CCOCC2)c(-c2ccnc(C3CCNCC3)c2)c1,DCCSQFKVSFFDJZ-UHFFFAOYSA-N
-rxn:5:189666:225938:227755,CC(C)(C)[S@@](=O)/N=C/c1ccc(-c2cc(C(F)(F)F)ccc2F)c(-c2cc(C(F)(F)F)ncc2C2CC2)c1,LOOBWMSXJNOGFZ-AVJKHPHFSA-N
-rxn:5:189676:226085:223002,CC1(C)CCc2cc(-c3cc(CC(=O)N4CCCC4)ccc3-c3ccc(C4CCNCC4)cc3F)ccc2O1,DUBXAQZCEBBHCX-UHFFFAOYSA-N
-rxn:5:189676:227404:225833,O=C(Cc1ccc(-c2ccnc(N3CCCCC3)c2F)c(-c2cc(N3CCCCC3)cs2)c1)N1CCCC1,VPUFFUYLKONPHQ-UHFFFAOYSA-N
-rxn:5:189718:223173:226665,O=[N+]([O-])c1cc(-c2cnc(C3CCCOC3)nc2)c(-c2ccc3c(c2)C(O)CS3(=O)=O)cc1OC1CCOCC1,YNEAELOPKSVKRW-UHFFFAOYSA-N
-rxn:5:189718:223173:227390,O=[N+]([O-])c1cc(-c2ccnn2C2CCCCC2)c(-c2ccc3c(c2)C(O)CS3(=O)=O)cc1OC1CCOCC1,KISQSGGKWOCPJA-UHFFFAOYSA-N
-rxn:5:189718:223173:227625,O=[N+]([O-])c1cc(-c2cnc(C3CCCO3)nc2)c(-c2ccc3c(c2)C(O)CS3(=O)=O)cc1OC1CCOCC1,QYGNJOUZBYOOJK-UHFFFAOYSA-N
-rxn:5:189718:223173:227626,O=[N+]([O-])c1cc(-c2cnc(C3CCOC3)nc2)c(-c2ccc3c(c2)C(O)CS3(=O)=O)cc1OC1CCOCC1,YTJYGPNSBWOMJB-UHFFFAOYSA-N
-rxn:5:189718:225784:223438,O=[N+]([O-])c1cc(-c2cn[nH]c2C(F)(F)F)c(-c2ccc(CN3CCOCC3)nc2)cc1OC1CCOCC1,PLVLVALJRPBJSO-UHFFFAOYSA-N
-rxn:5:189829:226749:227052,COc1cccc(C(F)(F)F)c1-c1cc(C(=O)N2CCCC2)cc(-c2ccc(SC(C)(C)C)cc2)c1OC,ZPEZWOUIGOBVAY-UHFFFAOYSA-N
-rxn:5:189908:226662:227495,CCN(C)c1cc(-c2ncc(-c3ccc(N4CCN(C)CC4)s3)cc2OCC2CCCCC2)c(F)cn1,FJRIMBLDAXQQBU-UHFFFAOYSA-N
-rxn:5:189908:227496:226662,CCN(C)c1cc(F)c(-c2cnc(-c3ccc(N4CCN(C)CC4)s3)c(OCC3CCCCC3)c2)cn1,POSBMEXIYSWNBO-UHFFFAOYSA-N
-rxn:5:189909:226588:225655,CC1CCN(c2cncc(-c3ccc(-c4cc(OC5CCC5)ncc4F)c(CCN4CCOCC4)c3)c2)CC1,MOZCZENEZZAPMJ-UHFFFAOYSA-N
-rxn:5:189952:223056:223065,COc1c(-c2ccc(N3CCC(O)CC3)nc2)cc(C(=O)N2CCOCC2)cc1-c1ccc(N2CCNCC2)cc1F,LIXVWFSLKOXDQZ-UHFFFAOYSA-N
-rxn:5:189952:225980:226664,COc1c(-c2cc(N3CCCC3)ncc2F)cc(C(=O)N2CCOCC2)cc1-c1cc(N2CCOCC2)ncc1F,KWDMCYIGZHEGHO-UHFFFAOYSA-N
-rxn:5:189952:226794:228712,COc1c(-c2cnc(N3CCSCC3)nc2)cc(C(=O)N2CCOCC2)cc1-c1ccnn1C1CCC1,WFSRVWYRNDTWMM-UHFFFAOYSA-N
-rxn:5:190127:225976:223149,CCOc1cc2cn[nH]c2cc1-c1ccc(-c2ccnc(N3CCOCC3)c2F)cc1C(=O)N1CCC(OC)CC1,GDTFLHYBGHWWPY-UHFFFAOYSA-N
-rxn:5:190127:225982:223149,CCOc1cc2cn[nH]c2cc1-c1ccc(-c2cnc(N3CCOCC3)cc2F)cc1C(=O)N1CCC(OC)CC1,ZWBMBRCSZGCMLA-UHFFFAOYSA-N
-rxn:5:190131:226179:223361,COc1c(-c2ccc(C(C)=NO)cc2)cc(C(=O)N2CCCCC2)cc1-c1cncc(C2CCCCC2)c1,UWDCXFAHCWWKIC-UHFFFAOYSA-N
-rxn:5:190132:225976:223149,CCOc1cc2cn[nH]c2cc1-c1cc(-c2ccnc(N3CCOCC3)c2F)ccc1C(=O)N1CCC(OC)CC1,HTMXOJXJONYOQO-UHFFFAOYSA-N
-rxn:5:190132:225982:223149,CCOc1cc2cn[nH]c2cc1-c1cc(-c2cnc(N3CCOCC3)cc2F)ccc1C(=O)N1CCC(OC)CC1,SJUBZXRIKYUDEM-UHFFFAOYSA-N
-rxn:5:190132:227574:227052,COc1c(F)ccc(-c2ccc(C(=O)N3CCC(OC)CC3)c(-c3ccc(SC(C)(C)C)cc3)c2)c1OC,XPIDHTZQVCQQPG-UHFFFAOYSA-N
-rxn:5:190194:223065:228680,CCCn1nc(C)cc1-c1c(CN2CCC(OC)CC2)cccc1-c1ccc(N2CCNCC2)cc1F,GYCZZPUKQPDNKA-UHFFFAOYSA-N
-rxn:5:190194:223294:227303,COC1CCN(Cc2cccc(-c3csc(N4CCNCC4)n3)c2-c2cccc(CN(C)C)c2F)CC1,HITINIUYCOPIMA-UHFFFAOYSA-N
-rxn:5:190194:225976:228680,CCCn1nc(C)cc1-c1c(CN2CCC(OC)CC2)cccc1-c1ccnc(N2CCOCC2)c1F,PAKZFOXDUFTGKH-UHFFFAOYSA-N
-rxn:5:190194:225982:226662,COC1CCN(Cc2cccc(-c3cnc(N4CCOCC4)cc3F)c2-c2ccc(N3CCN(C)CC3)s2)CC1,OSXKBKYPOBMCCK-UHFFFAOYSA-N
-rxn:5:190194:225982:228680,CCCn1nc(C)cc1-c1c(CN2CCC(OC)CC2)cccc1-c1cnc(N2CCOCC2)cc1F,DDDWGFPMPRHFTI-UHFFFAOYSA-N
-rxn:5:190194:226661:228219,COC1CCN(Cc2cccc(-c3cc(N4CCN(C)CC4)cs3)c2-c2cnc(C(C)C)cc2F)CC1,CPOTVMCZTLHRKV-UHFFFAOYSA-N
-rxn:5:190194:226662:223065,COC1CCN(Cc2cccc(-c3ccc(N4CCN(C)CC4)s3)c2-c2ccc(N3CCNCC3)cc2F)CC1,RGESYOQJIUJIDW-UHFFFAOYSA-N
-rxn:5:190194:226662:225706,COC1CCN(Cc2cccc(-c3ccc(N4CCN(C)CC4)s3)c2-c2cc3ncn(C(C)C)c3cc2F)CC1,MKAVCAMGEVAXQK-UHFFFAOYSA-N
-rxn:5:190194:226662:225880,COC1CCN(Cc2cccc(-c3ccc(N4CCN(C)CC4)s3)c2-c2cc(C3CCOCC3)ncc2F)CC1,CKXCLMMNMUNQFS-UHFFFAOYSA-N
-rxn:5:190194:226662:226662,COC1CCN(Cc2cccc(-c3ccc(N4CCN(C)CC4)s3)c2-c2ccc(N3CCN(C)CC3)s2)CC1,ARFOCXTUYAAXPJ-UHFFFAOYSA-N
-rxn:5:190194:227298:223294,COC1CCN(Cc2cccc(-c3cc(F)ccc3CN(C)C)c2-c2csc(N3CCNCC3)n2)CC1,SEAWDAOIHOODCW-UHFFFAOYSA-N
-rxn:5:190194:227301:223294,COC1CCN(Cc2cccc(-c3ccc(F)cc3CN(C)C)c2-c2csc(N3CCNCC3)n2)CC1,YIYLESIKMLJHNK-UHFFFAOYSA-N
-rxn:5:190194:227803:227438,COC1CCN(Cc2cccc(-c3ccnn3S(=O)(=O)N(C)C)c2-c2ccnc(C3CCOC3)c2)CC1,MDZXAUDQHNIJQX-UHFFFAOYSA-N
-rxn:5:190194:227803:227626,COC1CCN(Cc2cccc(-c3ccnn3S(=O)(=O)N(C)C)c2-c2cnc(C3CCOC3)nc2)CC1,UWHLJCNWIDUHAN-UHFFFAOYSA-N
-rxn:5:190194:228680:223065,CCCn1nc(C)cc1-c1cccc(CN2CCC(OC)CC2)c1-c1ccc(N2CCNCC2)cc1F,HJLDVHUDDYXQLY-UHFFFAOYSA-N
-rxn:5:190194:228680:225976,CCCn1nc(C)cc1-c1cccc(CN2CCC(OC)CC2)c1-c1ccnc(N2CCOCC2)c1F,PYXJASOEUJEBNX-UHFFFAOYSA-N
-rxn:5:190194:228680:225982,CCCn1nc(C)cc1-c1cccc(CN2CCC(OC)CC2)c1-c1cnc(N2CCOCC2)cc1F,WDYSXJFRBFUJGC-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:5:190195:225803:223113,CN(Cc1ccc(-c2ccnc(OC3CCOCC3)c2)c(-c2ccc3c(c2)C(C)(C)C(=O)N3)c1)C1CCOCC1,QKABQFOTFXRHHD-UHFFFAOYSA-N
-rxn:5:190195:225978:222417,CC(C)c1[nH]c(=O)ncc1-c1cc(CN(C)C2CCOCC2)ccc1-c1ccc(N2CCOCC2)nc1F,ZLRMYNAEXCCYLS-UHFFFAOYSA-N
-rxn:5:190199:223113:225784,CN(Cc1cc(-c2ccc(CN3CCOCC3)nc2)ccc1-c1ccc2c(c1)C(C)(C)C(=O)N2)C1CCOCC1,IMEKCQXCUHYCTN-UHFFFAOYSA-N
-rxn:5:190199:223113:227684,CN(Cc1cc(-c2cnn(CC3OCCO3)c2)ccc1-c1ccc2c(c1)C(C)(C)C(=O)N2)C1CCOCC1,ONPLFONVLZJBHF-UHFFFAOYSA-N
-rxn:5:190199:223164:226326,CN(Cc1cc(-c2cccc(C3(C#N)CC3)c2F)ccc1-c1cc(F)c(F)c(NC2CC2)c1)C1CCOCC1,ZEAKKMQPNINYIB-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:5:190199:227611:225987,CN(Cc1cc(-c2ccc(N3CCCS3(=O)=O)cc2)ccc1-c1ccnn1C1CCCCO1)C1CCOCC1,UBTQIMRBJANYRO-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
-rxn:5:190231:227503:225935,COc1c(-c2cc(C(C)C)nc(C(F)(F)F)c2)cc(C(=O)N2CCOC(C)C2)cc1-c1cc(OC(C)C)ncc1F,ZZIFXKAYUAYPIV-UHFFFAOYSA-N
-rxn:5:190265:225822:226139,CC1CCCN(C(=O)Cc2ccc(-c3cc(C4CC4)cnc3C3CC3)c(-c3cccc(C(F)(F)F)c3C3CC3)c2)C1,ODYPVBCOGVYCTF-UHFFFAOYSA-N
-rxn:5:190299:226139:223186,COc1ccc(-c2cc(C3CC3)cnc2C2CC2)cc1C=C1SC(=O)N(c2ccc(-c3cnn(C4CCCCO4)c3)cc2)C1=O,TYAJGEHRLBYDIV-UHFFFAOYSA-N
-rxn:5:190299:226854:225666,COc1ccc(-c2c(F)ccc(OC)c2[N+](=O)[O-])cc1C=C1SC(=O)N(c2ccc(-c3cc(F)cc(N4CCCCC4)c3)cc2)C1=O,GAMFGEUOKUJNGW-UHFFFAOYSA-N
-rxn:5:190336:225805:228878,COc1c(-c2cnn(C3COC3)c2)cc(C(=O)N2CCCC(C)C2)cc1-c1ccc(C(C)N2CCOCC2)s1,UTHLNUZOEMKBLX-UHFFFAOYSA-N
-rxn:5:190336:227579:228876,CCOc1c(F)cc(-c2cc(C(=O)N3CCCC(C)C3)cc(-c3cnn(C4CC4F)c3)c2OC)cc1F,YQBCTPPRQGEJMF-UHFFFAOYSA-N
-rxn:5:190336:228649:223064,COc1c(-c2ccc(C3CCNCC3)nc2F)cc(C(=O)N2CCCC(C)C2)cc1-c1c(C)cc(C)cc1F,CVMWWTPMXBGSNR-UHFFFAOYSA-N
-rxn:5:190741:223056:223064,CCOC(=O)c1cnc2c(-c3ccc(N4CCC(O)CC4)nc3)cc(C)cc2c1-c1ccc(C2CCNCC2)nc1F,OBNZHGHPLUMPDA-UHFFFAOYSA-N
-rxn:5:190741:225849:225656,CCOC(=O)c1cnc2c(-c3cnc(N4CCCCC4)cc3F)cc(C)cc2c1-c1cncc(N2CCCCC2C)c1,DMPCCXUGWSFFFE-UHFFFAOYSA-N
-rxn:5:190741:225849:225976,CCOC(=O)c1cnc2c(-c3cnc(N4CCCCC4)cc3F)cc(C)cc2c1-c1ccnc(N2CCOCC2)c1F,VIDPOTPALPQFMD-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:5:190742:225881:225978,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(C4CCOCC4)nc3F)c2c1-c1ccc(N2CCOCC2)nc1F,HKKDEGCOTJWXKX-UHFFFAOYSA-N
-rxn:5:190743:223006:225834,CCOC(=O)c1cnc2c(C)c(-c3ccc(F)c(C4CCNCC4)c3)ccc2c1-c1cc(N2CCCCC2)ncc1F,JYWCUNFJBGDPNJ-UHFFFAOYSA-N
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-rxn:5:190743:223064:225655,CCOC(=O)c1cnc2c(C)c(-c3ccc(C4CCNCC4)nc3F)ccc2c1-c1cncc(N2CCC(C)CC2)c1,XOMQOQLEEJQILC-UHFFFAOYSA-N
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-rxn:5:193756:226176:225940,CC1CCCCN1C(=O)c1ccc(-c2ccncc2C2CCCCC2)cc1-c1cc(C(F)(F)F)cnc1C1CC1,MSNUJIFOBCGUHQ-UHFFFAOYSA-N
-rxn:5:193756:226176:226664,CC1CCCCN1C(=O)c1ccc(-c2ccncc2C2CCCCC2)cc1-c1cc(N2CCCC2)ncc1F,ZUFCJKBLSUSQQL-UHFFFAOYSA-N
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-rxn:5:193756:226611:226588,CCc1ccc(C(F)(F)F)cc1-c1ccc(C(=O)N2CCCCC2C)c(-c2cc(OC3CCC3)ncc2F)c1,YNHIXFIXDQFZJO-UHFFFAOYSA-N
-rxn:5:193756:226664:227025,CCc1ncc(C2CC2)cc1-c1cc(-c2cc(N3CCCC3)ncc2F)ccc1C(=O)N1CCCCC1C,BBPPELKUCOIXEC-UHFFFAOYSA-N
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-rxn:5:193756:226843:226664,CC1CCCCN1C(=O)c1ccc(-c2ccc(C(=O)C(F)(F)F)nc2)cc1-c1cc(N2CCCC2)ncc1F,QGKCFWJAUCPOTN-UHFFFAOYSA-N
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-rxn:5:193756:227025:226664,CCc1ncc(C2CC2)cc1-c1ccc(C(=O)N2CCCCC2C)c(-c2cc(N3CCCC3)ncc2F)c1,FGGBZWHXIUFAHM-UHFFFAOYSA-N
-rxn:5:193756:227408:226843,CC1CCCCN1C(=O)c1ccc(-c2cc(C3CCC3)ncc2F)cc1-c1ccc(C(=O)C(F)(F)F)nc1,ZVUMZPRRACGEJC-UHFFFAOYSA-N
-rxn:5:193756:227960:225640,CC1CCCCN1C(=O)c1ccc(-c2ccncc2C2CCC2)cc1-c1ccnc(N2CCCCC2C)c1,WYQWTAKINHZFRV-UHFFFAOYSA-N
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-rxn:5:193756:228236:225849,CC1CCCCN1C(=O)c1ccc(-c2ccnc(F)c2C2CC2)cc1-c1cnc(N2CCCCC2)cc1F,OETVBKRCWPUXBO-UHFFFAOYSA-N
-rxn:5:193756:228320:225641,COC(=O)c1cc(-c2ccc(C(=O)N3CCCCC3C)c(-c3ccnc(N4CCCC(C)C4)c3)c2)ccn1,SZXAHBQQCBIAKI-UHFFFAOYSA-N
-rxn:5:193756:228323:225819,CCOc1nccc(-c2ccc(C(=O)N3CCCCC3C)c(-c3cc(C(F)(F)F)ccc3C3CC3)c2)c1F,OVOVUFPECRDKSK-UHFFFAOYSA-N
-rxn:5:193807:227387:225978,CC1CCN(Cc2cccc(-c3ccc(N4CCOCC4)nc3F)c2-c2ccnc(N3CCCC3)c2)CC1,DJKIVIJQGLNROS-UHFFFAOYSA-N
-rxn:5:193868:226837:228512,CC#Cc1cccc(-c2ccc(-c3c(C)nn(CC(F)(F)F)c3C)cc2C(=O)N2CC(C)OC(C)C2)c1,GJZUUJMGDNLGFP-UHFFFAOYSA-N
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-rxn:5:193872:225886:225942,CC(C)c1ncc(-c2cc(C(=O)N3CCC4(CC3)CC4)ccc2-c2ccc3c(ccn3S(C)(=O)=O)c2)cc1C(F)(F)F,OBQAZPWCIQXPIS-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:5:193967:227350:228181,COCc1cc(F)ccc1-c1cc(-c2c(OC)cc(C)cc2OC)ccc1CN1CCC2(CC1)OCCO2,VZNPSGFJZBEHCI-UHFFFAOYSA-N
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-rxn:5:193972:226335:229064,Cc1cc(-c2ccc(C3COC3)c(C#N)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccnn1C1CC1,IZHSALRUXTYCGH-UHFFFAOYSA-N
-rxn:5:193972:229226:226652,Cc1cc(-c2cc(S(=O)(=O)N3CCCCCC3)c(-c3ccc(C#N)s3)cc2C)n(C2CCCCO2)n1,LYQMCPCFUAXWLS-UHFFFAOYSA-N
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-rxn:5:194058:225832:226686,Cc1cnn(C2CCCCO2)c1-c1cc2[nH]cc(OS(=O)(=O)[O-])c2cc1-c1c(C)nn(C2CCCCO2)c1C,OAAAZLUIJGHIDD-UHFFFAOYSA-M
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-rxn:5:194399:223063:227505,O=C(c1ccc(-c2cc(F)nc(C3CCNCC3)c2)c(-c2ccc(/C=C/[N+](=O)[O-])cc2)c1)N1CC2CC2C1,CDZRAGKNGXDUHL-FMIVXFBMSA-N
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-rxn:5:194767:223061:223065,O=C1OC2(CCCN(C(=O)c3cc(-c4cc(C5CCNCC5)ncc4F)ccc3-c3ccc(N4CCNCC4)cc3F)C2)c2ccccc21,JOBSBXSPXLBAAS-UHFFFAOYSA-N
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-rxn:5:194767:227547:227944,Cc1cc(-c2ccc(-c3cncc(C(C)(C)C)c3)c(C(=O)N3CCCC4(C3)OC(=O)c3ccccc34)c2)ccc1OC(F)F,GZMNDAVYIAGFKR-UHFFFAOYSA-N
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-rxn:5:196791:226679:225982,O=C1COCCN1c1cccc(-c2cnc(N3CCCC3)cc2F)c1-c1cnc(N2CCOCC2)cc1F,MGYDCEUHGMOYKB-UHFFFAOYSA-N
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-rxn:5:196794:223113:225803,CC1(C)C(=O)Nc2ccc(-c3ccc(-c4ccnc(OC5CCOCC5)c4)c(N4CCOCC4=O)c3)cc21,PBMPLEAGGKTZAG-UHFFFAOYSA-N
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-rxn:5:196859:225884:226686,Cc1cnn(C2CCCCO2)c1-c1nccc(C2CCOCC2)c1-c1ccc(C2COCCO2)c(F)c1,XTDUCAZHFNVVEP-UHFFFAOYSA-N
-rxn:5:196871:223142:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2ccc(C3CCCNC3)nc2)c(N2CCOCC2)c1,PFNROIRHPJBHSA-UHFFFAOYSA-N
-rxn:5:197526:226774:225461,CC(=O)N1CC(=O)c2c1ccc(-c1ccc(OC(F)=C(F)F)cc1)c2-c1ccc(N2CCCCC2)cc1C,KFIJMNDBRLMOJC-UHFFFAOYSA-N
-rxn:5:197572:225943:226172,CC(=O)N1CCc2cc(-c3ccc(C(=O)N4CCOCC4)s3)cc(-c3cc(N4CCCC4)ccc3C)c21,QAPCNYABCHVKCK-UHFFFAOYSA-N
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-rxn:5:197876:225455:227052,Cc1ccc(N2CCCCC2)cc1-c1cc2c(cc1-c1ccc(SC(C)(C)C)cc1)C(=O)N(C(C)(C)C)S2(=O)=O,YERROVREKSDAMW-UHFFFAOYSA-N
-rxn:5:197876:225498:228606,CCc1ccc(F)c(-c2cc3c(cc2-c2cc(C4CCCCC4)ccc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,DDDWXFIQWZJFBY-UHFFFAOYSA-N
-rxn:5:197876:225499:227053,CC(C)(C)Oc1cccc(-c2cc3c(cc2-c2ccc(C4CCCCC4)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,BDMBIRMYSBZNEK-UHFFFAOYSA-N
-rxn:5:197876:225499:227947,Cc1cc(C#N)cc(C)c1-c1cc2c(cc1-c1ccc(C3CCCCC3)cc1F)S(=O)(=O)N(C(C)(C)C)C2=O,VGOFKLMJSGBWJX-UHFFFAOYSA-N
-rxn:5:197876:225601:227860,CN1CCc2cc(-c3cc4c(cc3-c3ccc(C5(C#N)CCC5)cc3F)S(=O)(=O)N(C(C)(C)C)C4=O)ccc21,VTYKQNRPBGRJLH-UHFFFAOYSA-N
-rxn:5:197876:225601:228641,Cc1cc(F)c(-c2cc3c(cc2-c2ccc(C4(C#N)CCC4)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1C,JEKMKHAIZUQCHA-UHFFFAOYSA-N
-rxn:5:197876:225602:228366,CN(C)c1ncc(-c2cc3c(cc2-c2cc(C4(C#N)CCC4)ccc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1F,ZYSUPMJLTJSLLI-UHFFFAOYSA-N
-rxn:5:197876:225603:226926,Cc1cc(C(C)(C)C)ccc1-c1cc2c(cc1-c1cccc(C3(C#N)CCC3)c1F)S(=O)(=O)N(C(C)(C)C)C2=O,BEPLPOHTYIHLPF-UHFFFAOYSA-N
-rxn:5:197876:225603:227821,CCc1c(C)cc(C)cc1-c1cc2c(cc1-c1cccc(C3(C#N)CCC3)c1F)S(=O)(=O)N(C(C)(C)C)C2=O,MGLFUEAMZFPZPC-UHFFFAOYSA-N
-rxn:5:197876:225671:227124,CC(C)(C)c1ccc(-c2cc3c(cc2-c2cc(C4CCCCC4)ncc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c(F)c1,BGXWMTUWJPGLNY-UHFFFAOYSA-N
-rxn:5:197876:225679:227830,CC1(c2ccc(-c3cc4c(cc3-c3ccc(N5CCCCC5)cc3F)S(=O)(=O)N(C(C)(C)C)C4=O)cc2)CC1,AYDLNHWJHDUCQS-UHFFFAOYSA-N
-rxn:5:197876:225815:228235,CC(C)c1c(-c2cc3c(cc2-c2ccc(C4CC4)cc2C(F)(F)F)S(=O)(=O)N(C(C)(C)C)C3=O)ccnc1F,JEYHFZFTPZJIDI-UHFFFAOYSA-N
-rxn:5:197876:225820:225395,CC(C)(C)c1cc(-c2cc3c(cc2-c2c(C4CC4)cccc2C(F)(F)F)S(=O)(=O)N(C(C)(C)C)C3=O)cc(C2CC2)c1,IIGTYCNQRIWLKU-UHFFFAOYSA-N
-rxn:5:197876:225936:226916,CC(C)c1ncc(C(F)(F)F)cc1-c1cc2c(cc1-c1cccc(C3=CCCC3)c1)C(=O)N(C(C)(C)C)S2(=O)=O,OHALMSZXJIYIJY-UHFFFAOYSA-N
-rxn:5:197876:225937:227808,CC(C)c1cnc(C(F)(F)F)cc1-c1cc2c(cc1-c1ccc3c(c1)CCCC3)C(=O)N(C(C)(C)C)S2(=O)=O,UNVLBSOJMFDGEI-UHFFFAOYSA-N
-rxn:5:197876:226031:228685,COCc1cncc(-c2cc3c(cc2-c2ccc(C(F)(F)F)cc2C(F)F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,ISUONDQQYKDIQP-UHFFFAOYSA-N
-rxn:5:197876:226032:228518,CC#Cc1ccc(-c2cc3c(cc2-c2cc(OC)cc(C(F)(F)F)c2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1,DXSXGOYXNMTYNB-UHFFFAOYSA-N
-rxn:5:197876:226058:227921,COC(C)c1cccc(-c2cc3c(cc2-c2c(C(C)C)cccc2C(C)C)S(=O)(=O)N(C(C)(C)C)C3=O)c1,BDQLSNVDKIKKRA-UHFFFAOYSA-N
-rxn:5:197876:226059:227946,CC(C)c1ccc(-c2cc3c(cc2-c2ccc(C(C)(C)C)nc2)C(=O)N(C(C)(C)C)S3(=O)=O)c(C(C)C)c1,FTNQXCQVNLLFJH-UHFFFAOYSA-N
-rxn:5:197876:226059:228967,CC(C)c1ccc(-c2cc3c(cc2-c2cn(C)nc2C(F)F)C(=O)N(C(C)(C)C)S3(=O)=O)c(C(C)C)c1,SJEGHYVCYPXXHV-UHFFFAOYSA-N
-rxn:5:197876:226061:226969,CC(C)c1cc(-c2cc3c(cc2-c2ccc4c(c2)CCCC4=O)C(=O)N(C(C)(C)C)S3(=O)=O)cc(C2CC2)c1,DQDLTPVQCZKHKF-UHFFFAOYSA-N
-rxn:5:197876:226069:228435,CSc1ccc(F)c(F)c1-c1cc2c(cc1-c1cccc(C3CCCCC3)c1)S(=O)(=O)N(C(C)(C)C)C2=O,IAAQWVSBJJLXNV-UHFFFAOYSA-N
-rxn:5:197876:226085:227822,Cc1cccc(C(C)C)c1-c1cc2c(cc1-c1ccc3c(c1)CCC(C)(C)O3)S(=O)(=O)N(C(C)(C)C)C2=O,COMQUWFGYHMORY-UHFFFAOYSA-N
-rxn:5:197876:226190:227282,CC(C)c1ncc(C#N)cc1-c1cc2c(cc1-c1ccc(C3CCCC3)cc1F)S(=O)(=O)N(C(C)(C)C)C2=O,SUBBATWPNNKAEM-UHFFFAOYSA-N
-rxn:5:197876:226190:227978,CC(C)c1ccc(F)c(-c2cc3c(cc2-c2ccc(C4CCCC4)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,WCVXWYNRSHRMPX-UHFFFAOYSA-N
-rxn:5:197876:226320:227964,CC1(c2cncc(-c3cc4c(cc3-c3cc(C5(C#N)CC5)ccc3F)S(=O)(=O)N(C(C)(C)C)C4=O)c2)CC1,BICMAYFJCXYRAG-UHFFFAOYSA-N
-rxn:5:197876:226325:225395,CC(C)(C)c1cc(-c2cc3c(cc2-c2ccc(C(C)(C)C#N)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc(C2CC2)c1,AVUCQJKIOPOWEW-UHFFFAOYSA-N
-rxn:5:197876:226325:226061,CC(C)c1cc(-c2cc3c(cc2-c2ccc(C(C)(C)C#N)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc(C2CC2)c1,ADSIRBJSLLDWMG-UHFFFAOYSA-N
-rxn:5:197876:226326:226946,CN1CCc2cc(-c3cc4c(cc3-c3cccc(C5(C#N)CC5)c3F)S(=O)(=O)N(C(C)(C)C)C4=O)ccc2C1,HWEIKPYMIOYSEI-UHFFFAOYSA-N
-rxn:5:197876:226330:227722,CC(c1ccc(-c2cc3c(cc2-c2cccc(SC(F)(F)F)c2)C(=O)N(C(C)(C)C)S3(=O)=O)s1)N1CCCC1,LAIACNLDSHZGFX-UHFFFAOYSA-N
-rxn:5:197876:226441:227589,Cc1cc(OC(F)F)cc(-c2cc3c(cc2-c2ccc(N4CCCC4)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,OEKFQWDFZWAWLN-UHFFFAOYSA-N
-rxn:5:197876:226593:227818,CCC(C)c1cccc(-c2cc3c(cc2-c2c(F)ccc(OC(C)C)c2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,WVHFUVQEYFPUIB-UHFFFAOYSA-N
-rxn:5:197876:226611:227909,CCc1ccc(C(F)(F)F)cc1-c1cc2c(cc1-c1ccnc(C(C)CC)c1)C(=O)N(C(C)(C)C)S2(=O)=O,WYPTZNSTTLEKAV-UHFFFAOYSA-N
-rxn:5:197876:226709:227811,Cc1cc(C(F)(F)F)cc(C)c1-c1cc2c(cc1-c1ccc(CC(C)C)cc1)C(=O)N(C(C)(C)C)S2(=O)=O,GTWUCHDKZLZEJQ-UHFFFAOYSA-N
-rxn:5:197876:226759:227052,COc1cc(-c2cc3c(cc2-c2ccc(SC(C)(C)C)cc2)C(=O)N(C(C)(C)C)S3(=O)=O)cc(C(F)(F)F)c1,CMCIHAPDBDIDBP-UHFFFAOYSA-N
-rxn:5:197876:226762:228019,CSc1cc(-c2cc3c(cc2-c2cc(C(C)=O)ccc2C)C(=O)N(C(C)(C)C)S3(=O)=O)cc(C(F)(F)F)c1,DBMPFYYANJIJKK-UHFFFAOYSA-N
-rxn:5:197876:226762:228342,CSc1cc(-c2cc3c(cc2-c2cccc(OC(F)F)c2)C(=O)N(C(C)(C)C)S3(=O)=O)cc(C(F)(F)F)c1,NCEAKOZYUNXYTR-UHFFFAOYSA-N
-rxn:5:197876:226767:227819,CCc1cc(CC)cc(-c2cc3c(cc2-c2cc(OC)ccc2C(F)(F)F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,IKGQBSFDAIJHIV-UHFFFAOYSA-N
-rxn:5:197876:226767:228279,CCc1cc(F)c(-c2cc3c(cc2-c2cc(OC)ccc2C(F)(F)F)S(=O)(=O)N(C(C)(C)C)C3=O)c(F)c1,CYBNGPYJDMRENA-UHFFFAOYSA-N
-rxn:5:197876:226768:226579,CSc1ccc(-c2cc3c(cc2-c2cc(F)cc(C(=O)N(C)C)c2)C(=O)N(C(C)(C)C)S3(=O)=O)cc1C(F)(F)F,SMFMQMFJPVRJGI-UHFFFAOYSA-N
-rxn:5:197876:226768:227869,CSc1ccc(-c2cc3c(cc2-c2ccc4c(c2)CC(C)O4)C(=O)N(C(C)(C)C)S3(=O)=O)cc1C(F)(F)F,WSSXJFYJUGBFKP-UHFFFAOYSA-N
-rxn:5:197876:226836:228508,CC(C)c1cccc(-c2cc3c(cc2-c2cn(C(C)C)nc2C(F)(F)F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,ACOISLMIXMEGHF-UHFFFAOYSA-N
-rxn:5:197876:226847:225703,COC(=O)c1cc2cc(-c3cc4c(cc3-c3cc(C(F)(F)F)cnc3SC)S(=O)(=O)N(C(C)(C)C)C4=O)ccc2s1,YIVMCGMZGNGDSH-UHFFFAOYSA-N
-rxn:5:197876:226848:227343,COC(=O)c1cc(C)cc(-c2cc3c(cc2-c2ccc(OC)nc2C(F)(F)F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,UVWUBCDOUOJTIM-UHFFFAOYSA-N
-rxn:5:197876:226849:228567,CCC(C)c1sccc1-c1cc2c(cc1-c1ccnc(OC)c1C(F)(F)F)S(=O)(=O)N(C(C)(C)C)C2=O,MGULTBRXJXOSED-UHFFFAOYSA-N
-rxn:5:197876:226862:226062,CC(C)c1cc(-c2cc3c(cc2-c2cccc(OC(F)(F)F)c2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc(C(C)C)c1,IULAKGMPUKYDEJ-UHFFFAOYSA-N
-rxn:5:197876:226863:228383,Cc1cc(-c2cc3c(cc2-c2ccc(OC(F)(F)F)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cnc1C(F)F,DMRVRKJQYCVLLJ-UHFFFAOYSA-N
-rxn:5:197876:226907:227030,CC(C)(C)N1C(=O)c2cc(-c3ccc(C#N)cc3C3CC3)c(-c3cccc4c3CCC43CC3)cc2S1(=O)=O,RVGOEJORWPAYTA-UHFFFAOYSA-N
-rxn:5:197876:226911:227052,CCc1cc(C)cc(CC)c1-c1cc2c(cc1-c1ccc(SC(C)(C)C)cc1)C(=O)N(C(C)(C)C)S2(=O)=O,JNDOJLWVAGQWDQ-UHFFFAOYSA-N
-rxn:5:197876:226912:227752,Cc1cc(CC(C)C)cc(-c2cc3c(cc2-c2ccc(C(F)(F)F)cc2F)C(=O)N(C(C)(C)C)S3(=O)=O)c1,GICGRKLPRXNVKC-UHFFFAOYSA-N
-rxn:5:197876:226913:225811,CCc1cc(-c2cc3c(cc2-c2ccc(C4(C(F)(F)F)CC4)cc2)C(=O)N(C(C)(C)C)S3(=O)=O)cc(C2CC2)c1,VLHAXYZANBUXTF-UHFFFAOYSA-N
-rxn:5:197876:226913:227665,CCc1cc(-c2cc3c(cc2-c2ccc(C(F)(F)F)c(C)c2)C(=O)N(C(C)(C)C)S3(=O)=O)cc(C2CC2)c1,LQDMZVALCFTTRM-UHFFFAOYSA-N
-rxn:5:197876:226914:225440,Cc1cc(CC(C)C)ccc1-c1cc2c(cc1-c1ccc(C3(C#N)CCCC3)cc1)C(=O)N(C(C)(C)C)S2(=O)=O,WLVUIHMAXRADLX-UHFFFAOYSA-N
-rxn:5:197876:226917:225499,Cc1cc(-c2cc3c(cc2-c2ccc(C4CCCCC4)cc2F)C(=O)N(C(C)(C)C)S3(=O)=O)cc(C(C)(C)C)c1,YPUZSHMSQTZUGA-UHFFFAOYSA-N
-rxn:5:197876:226917:226916,Cc1cc(-c2cc3c(cc2-c2cccc(C4=CCCC4)c2)C(=O)N(C(C)(C)C)S3(=O)=O)cc(C(C)(C)C)c1,VCICOBDWOHXPGC-UHFFFAOYSA-N
-rxn:5:197876:226917:227108,Cc1cc(-c2cc3c(cc2-c2cc(C4CCC4)ccc2F)C(=O)N(C(C)(C)C)S3(=O)=O)cc(C(C)(C)C)c1,QLEYGYIYVNQXNK-UHFFFAOYSA-N
-rxn:5:197876:226922:226917,Cc1cc(-c2cc3c(cc2-c2c(C)cc(C4CC4)cc2C)S(=O)(=O)N(C(C)(C)C)C3=O)cc(C(C)(C)C)c1,ZZPOIMMDPLXMDH-UHFFFAOYSA-N
-rxn:5:197876:226959:226589,CC(C)c1cnc(C(F)F)cc1-c1cc2c(cc1-c1ccc3c(c1)CC(C)(C)O3)S(=O)(=O)N(C(C)(C)C)C2=O,VRLUJRCETAMIGG-UHFFFAOYSA-N
-rxn:5:197876:226973:227402,CC(C)(C)c1cc(-c2cc3c(cc2-c2ccc4c(c2)C(C)(C)CO4)S(=O)(=O)N(C(C)(C)C)C3=O)cc(F)n1,VUIYIBZRJUVDMJ-UHFFFAOYSA-N
-rxn:5:197876:227018:227714,CC(C)(C#N)c1ccc(-c2cc3c(cc2-c2ccc(SC(F)(F)F)cc2)C(=O)N(C(C)(C)C)S3(=O)=O)cc1,XNWGRGFEOUKJPM-UHFFFAOYSA-N
-rxn:5:197876:227023:227801,CC(c1ccc(-c2cc3c(cc2-c2c(C(F)(F)F)ccnc2F)C(=O)N(C(C)(C)C)S3(=O)=O)cc1)N(C)C,RPGVPDLQWKSOCJ-UHFFFAOYSA-N
-rxn:5:197876:227045:227718,CC(C)(C)Sc1cccc(-c2cc3c(cc2-c2ccc(OC(F)F)cc2F)C(=O)N(C(C)(C)C)S3(=O)=O)c1,KJWZHAXKSAYQLV-UHFFFAOYSA-N
-rxn:5:197876:227052:226907,CC(C)(C)Sc1ccc(-c2cc3c(cc2-c2cccc4c2CCC42CC2)C(=O)N(C(C)(C)C)S3(=O)=O)cc1,VUGGEEAHHSBMFQ-UHFFFAOYSA-N
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-rxn:4:183273:229138,Fc1cc(Cl)ccc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,SEGBQYKJPLFDOP-UHFFFAOYSA-N
-rxn:4:183273:229292,Cc1occc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,XSBKIMXQEJOJIU-UHFFFAOYSA-N
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-rxn:4:183274:229115,Cc1ncc(F)cc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCOCCO2,LIUNZKDSDRAZCR-UHFFFAOYSA-N
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-rxn:4:183723:224322,CC1CCN(S(=O)(=O)c2ccc(-c3ccc(OC(F)(F)F)cc3OCCN3CCCC3)cc2)CC1,PEFOYPWPDGEGRD-UHFFFAOYSA-N
-rxn:4:183730:222465,O=C(COc1cc(OC(F)(F)F)ccc1-c1cc(C2CCCCC2)nc(C2CCCNC2)c1)N1CCOCC1,RWUIYLPUYYAGGV-UHFFFAOYSA-N
-rxn:4:183743:224586,CCCCOc1cc(-c2cc(F)ccc2CN2CCC(C)CC2)ccc1C(=O)N1CCC1,UGPCIVCVNBVHCL-UHFFFAOYSA-N
-rxn:4:183783:224485,CC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2ccc(N(C)CCC(=O)OC(C)(C)C)cc2)c1,AKKOFDKXUVHGIK-UHFFFAOYSA-N
-rxn:4:183785:224566,CCCN(C(=O)OC(C)(C)C)c1ccc(-c2ccc(C3(C(=O)OC)CCCC3)cc2)c(Cl)c1,GFUFRELODFSGIV-UHFFFAOYSA-N
-rxn:4:183877:225312,CN1CCCN(c2ncc(-c3c(Cl)cccc3OCC3CN(C(=O)OC(C)(C)C)C3)cn2)CC1,FGJKEKGYVNGAGJ-UHFFFAOYSA-N
-rxn:4:183892:223286,COC(=O)c1cc(OCCN2CCC(F)(F)CC2)cc(-c2cccc(NS(C)(=O)=O)c2)c1,OMEXEZXPUGMFGG-UHFFFAOYSA-N
-rxn:4:183892:225750,CCN(CC)c1cc(-c2cc(OCCN3CCC(F)(F)CC3)cc(C(=O)OC)c2)cc(F)c1F,KIEIWJUDKBKJLL-UHFFFAOYSA-N
-rxn:4:183905:226589,CCCCN(C(=O)c1ccc(-c2cc(C(F)F)ncc2C(C)C)cc1)C1CCS(=O)(=O)C1,UWBAAFXXDHQLRA-UHFFFAOYSA-N
-rxn:4:183922:225283,CCC(C)c1cc(-c2cc(N(C(C)=O)S(=O)(=O)c3ccc(C)cc3)ccc2OC(C)=O)cnc1C(F)(F)F,DMOUIGQOGGMPMM-UHFFFAOYSA-N
-rxn:4:183928:222919,CC(c1ccc(-c2ccc(S(=O)(=O)NC(C)(C)C)cc2)cc1)N(C(=O)OC(C)(C)C)C1CC1,LPNWXPTUANPCMO-UHFFFAOYSA-N
-rxn:4:183943:224609,CC(C)N(C(=O)c1ccncc1-c1ccc(S(=O)(=O)CC2CN(C(=O)OC(C)(C)C)C2)cc1)C(C)C,WPUCQYPVBLVILO-UHFFFAOYSA-N
-rxn:4:183962:223939,Cc1cc(OCC2CN(C(=O)OC(C)(C)C)C2)cc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CCO3)c1,JKYTYOWUNHSVKM-UHFFFAOYSA-N
-rxn:4:183964:224598,COC(=O)c1cc(OCCN2CCC(C)CC2)cc(-c2ccc(N3CCC(C)CC3)cc2OC)c1,ANVWXXUJHCJHKR-UHFFFAOYSA-N
-rxn:4:183965:226037,COC(=O)c1cc(OCCN2CCCC(C)C2)cc(-c2ccc(C(F)(F)F)c(OC)c2F)c1,DPVWSXMLIROGHT-UHFFFAOYSA-N
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-rxn:4:184034:226488,CCOC(=O)C1CCN(S(=O)(=O)c2cc(-c3ccc(OCCCF)c(F)c3)c(C)cc2OC)CC1,SMXLUOYVRFFTMY-UHFFFAOYSA-N
-rxn:4:184046:224323,COc1cccc(C(=O)N(Cc2cccc(-c3cc(C)c(S(=O)(=O)N4CCCC4)c(C)c3)c2)C2CCS(=O)(=O)C2)c1,HJXQZEIWJZYJLK-UHFFFAOYSA-N
-rxn:4:184046:225328,CCCSc1ncc(C(F)(F)F)cc1-c1cccc(CN(C(=O)c2cccc(OC)c2)C2CCS(=O)(=O)C2)c1,IEYSAANLMODPOI-UHFFFAOYSA-N
-rxn:4:184070:227077,CCC(C)c1ccc(-c2ccc(C3(C(=O)OC)CCN(C(=O)OC(C)(C)C)C3)c(C)c2)c(F)c1,GCVUCPZSJSHJBD-UHFFFAOYSA-N
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-rxn:4:184099:225573,COC(=O)c1cc(-c2ccc(C(C)N(C(=O)OC(C)(C)C)C3CCC(C)(C)CC3)cc2)cc(C2CC2)c1,LFNMUUDRKGVULI-UHFFFAOYSA-N
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-rxn:4:184334:223559,CCOC(=O)C(C#N)c1ccc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)cc1,YGCJCANBQOXLRO-UHFFFAOYSA-N
-rxn:4:184426:222639,CCOC(=O)c1cc(-c2ccc([C@H](C)NC(=O)OC(C)(C)C)cc2)cc(C#N)c1C(F)F,KCVPSLUAVTZNEQ-AWEZNQCLSA-N
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-rxn:4:184615:224250,CCOC(=O)c1nc(OC)c(C(F)(F)F)cc1-c1cc(C(=O)N2CCCCC2C)ccc1F,VMEVMWDSOCSQDU-UHFFFAOYSA-N
-rxn:4:184617:223595,CCOC(OCC)c1ccc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c(F)c2)cn1,XJSKUDCHZGPNAT-UHFFFAOYSA-N
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-rxn:4:184919:224325,CCN(C(=O)c1ccc(-c2ccc(C3=CCN(S(C)(=O)=O)CC3)cc2)c(C(F)(F)F)c1)C(C)C,VIRITOYICNNEDS-UHFFFAOYSA-N
-rxn:4:184948:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2c(Cl)cccc2CN(C)C(=O)OC(C)(C)C)cc1,XTQWFVHDGFJHDC-UHFFFAOYSA-N
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-rxn:4:185004:225126,O=C(COc1ccc(C(F)(F)F)cc1-c1cc(F)ccc1OCC1CCCO1)N1CCCCC1,NHBLBOJRGHIQCV-UHFFFAOYSA-N
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-rxn:4:185024:224616,COc1ccc(OCC(=O)N2CCCCC2)c(-c2ccccc2OCCN2CCOCC2)c1,GHMSWQGAPXCSFB-UHFFFAOYSA-N
-rxn:4:185055:223025,CCCNC(=O)c1cc(-c2cccc(F)c2OCCCN2CCCC(F)(F)C2)ccc1Cl,MJDKJQXNFNCABB-UHFFFAOYSA-N
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-rxn:4:185414:224290,Cc1cc(Cl)cc(-c2ccc(Cl)cc2OCCN2CCOCC2)c1OC1CCN(C(=O)OC(C)(C)C)CC1,ALSCSPNEJTWLIW-UHFFFAOYSA-N
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-rxn:4:185516:224128,Cc1cccc2c1N(CCCOc1ccc(-c3ccc(C(=O)N(C)C4CCCCC4)cc3)cc1)C(=O)C2=O,DBMQGYAZAOIBEL-UHFFFAOYSA-N
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-rxn:4:186888:224792,CCN(C(=O)c1ccc(-c2cc(C(F)(F)F)cnc2SCC(C)C)o1)C1CCS(=O)(=O)C1,ZBVXFPBMRMRAEF-UHFFFAOYSA-N
-rxn:4:186942:222447,COC(=O)c1ccc(CN2CCCC2)c(-c2c(OC)ccc3c2N=C(NC(=O)OC(C)(C)C)C3)c1,BTGQVPNVJXSEKO-UHFFFAOYSA-N
-rxn:4:187000:223696,COC(=O)C1CCN(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCC5(CC4)OCCO5)cc3)cc2)C1,IHTFUEPPIJBDDP-UHFFFAOYSA-N
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-rxn:4:187051:224017,CC(C)N(C(=O)c1cc(F)ccc1-c1ccc(N2CCCS2(=O)=O)cc1C(F)(F)F)C(C)C,BOEBZMYPIFVUKY-UHFFFAOYSA-N
-rxn:4:187064:222740,CCOc1cc(S(=O)(=O)N2CCCC2)ccc1-c1cc(C(C)C)nc(C2CCCNC2)c1,CZQMXSHAZPBQBX-UHFFFAOYSA-N
-rxn:4:187205:224160,CC(C)(C)OC(=O)N1CC(c2cc(Cl)ccc2-c2ccc3c(c2)CCN3C(=O)OC(C)(C)C)C1,ZPPCNXZWJVOBSG-UHFFFAOYSA-N
-rxn:4:187212:223659,CC(C)(C)OC(=O)N1CCC(Cn2cc(-c3ccc(C4CN(C(=O)OC(C)(C)C)C4)cc3F)cn2)CC1,HOQXGZHGSNDIKW-UHFFFAOYSA-N
-rxn:4:187213:224740,CN(C(C)(C)C)S(=O)(=O)c1cccc(-c2ccc(C3CN(C(=O)OC(C)(C)C)C3)c(F)c2)c1,HNBPDXGLKHEALJ-UHFFFAOYSA-N
-rxn:4:187225:224285,CC1CCN(C(=O)c2ccc(-c3ccc(OCCN4CCOCC4)cc3F)c(OC(F)F)c2)CC1,CLYSFGOYMKPLNE-UHFFFAOYSA-N
-rxn:4:187226:222717,Cc1cc(-c2ccc(N(C(=O)C(C)C)C3C=CS(=O)(=O)C3)cc2)c(S(=O)(=O)NC(C)(C)C)cc1F,ZQHMZFPDDFZVAU-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:4:187313:222718,CCOc1ccc(-c2cc(S(=O)(=O)N3CCNCC3)ccc2C)cc1S(=O)(=O)N1CCCCC1,ACPBYOPEBUMTNC-UHFFFAOYSA-N
-rxn:4:187318:224588,COC(=O)c1ccc(-c2cc(F)cc(CN3CCC(C)CC3)c2)c(CN2CCOC(C)C2)c1,GCTVBKMSRMDCEC-UHFFFAOYSA-N
-rxn:4:187323:225087,CC1CCN(Cc2ccc(-c3ccc(OCCCN(C)C)c(F)c3)cc2OC(F)(F)F)CC1,WPADRJPIKDEJQR-UHFFFAOYSA-N
-rxn:4:187433:225192,COC(=O)c1ccc(-c2cc(OC3CCCCC3)ncc2F)c(CN2CCCC(C)C2)c1,VXPFKNIIOSQMRH-UHFFFAOYSA-N
-rxn:4:187440:223526,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3coc(C4CCCN(C(=O)OC(C)(C)C)C4)c3)cc2)CC1,GCKWHOXNFQFOCY-UHFFFAOYSA-N
-rxn:4:187447:224420,Cc1cc2c(cc1-c1ccccc1CCC(=O)N1CCC3(CC1)CC3(F)F)C(C)(C)CCC2(C)C,UVSHDPITAXYWDU-UHFFFAOYSA-N
-rxn:4:187459:223957,CC(C)(C)[Si](C)(C)OCc1c(F)cc(-c2ccc(C(=O)c3ccccc3CN3CCCC3)cc2F)cc1F,BURCBCRTZIAXAL-UHFFFAOYSA-N
-rxn:4:187494:223530,CC(C)(C)OC(=O)N1CCN(Cc2ccc(F)cc2-c2ccc(C3CN(C(=O)OC(C)(C)C)CCO3)cc2)CC1,GYIZCMXPYHUWPO-UHFFFAOYSA-N
-rxn:4:187554:225285,CC(C)Cc1ncc(-c2cccc(C(=O)N3CCC(S(=O)(=O)C(C)(C)C)C3)c2)cc1C(F)(F)F,RZWBOKCJXHSCLK-UHFFFAOYSA-N
-rxn:4:187557:224158,CC(C)(C)OC(=O)N1C(=O)CCC[C@@H]1c1ccc(-c2ccc3c(ccn3C(=O)OC(C)(C)C)c2)cc1,UXVTTZNRRKZKJY-XMMPIXPASA-N
-rxn:4:187561:226851,COc1cc(-c2ccc(Cl)c(C(=O)N3CCC(S(=O)(=O)C(C)(C)C)C3)c2)c(C(F)(F)F)cn1,BMNJTMONFSCDAZ-UHFFFAOYSA-N
-rxn:4:187570:223836,COc1ncnc2c1cc(-c1c(C)cc(OCC(=O)N3CCC(C)CC3)cc1C)n2C(=O)OC(C)(C)C,UDDMUKOGTDNBAC-UHFFFAOYSA-N
-rxn:4:187570:225674,Cc1cc(OCC(=O)N2CCC(C)CC2)cc(C)c1-c1cnc(C2CCCCC2)cc1F,RCXZFLHMMNXAKI-UHFFFAOYSA-N
-rxn:4:187581:223670,CC1CN(C(=O)OC(C)(C)C)CCC1c1cc(-c2cccnc2N2CCN(C(=O)OC(C)(C)C)CC2)co1,OBFRUMATJZKZRD-UHFFFAOYSA-N
-rxn:4:187581:226773,COC(=O)c1c(Cl)ccc(-c2coc(C3CCN(C(=O)OC(C)(C)C)CC3C)c2)c1F,KWZZSLNSQQXASH-UHFFFAOYSA-N
-rxn:4:187587:223503,CC(C)(C)OC(=O)N1CCC(Oc2cc(F)c(-c3ccc(C4CCN(C(=O)OC(C)(C)C)CC4)c(Cl)c3)c(F)c2)CC1,BSBJVRCFKOQNBN-UHFFFAOYSA-N
-rxn:4:187589:224318,CN1CCN(C(=O)c2ccc(-c3cc(C4CCCN(C(=O)OC(C)(C)C)C4)ccc3F)cc2F)CC1,ZISOKFMREOWFIN-UHFFFAOYSA-N
-rxn:4:187589:224886,CC1CCN(Cc2ccc(-c3cc(C4CCCN(C(=O)OC(C)(C)C)C4)ccc3F)cc2)CC1,XTXVOUPATFRBLI-UHFFFAOYSA-N
-rxn:4:187592:223933,CC(C)(C)OC(=O)N1CCC(c2ccc(F)c(-c3cc4cc(F)ccc4n3C(=O)OC(C)(C)C)c2)CC1,OZQVGOIFELDNIU-UHFFFAOYSA-N
-rxn:4:187596:223935,CC(C)(C)OC(=O)N1CCC(c2cc(-c3cc4cccc(F)c4n3C(=O)OC(C)(C)C)ccc2F)CC1,MUYXGQBJCIIENL-UHFFFAOYSA-N
-rxn:4:187656:225203,CCN(C1CCCCC1)S(=O)(=O)c1cc(C)c(-c2cc(C(F)(F)F)c(C3CC3)cc2C)cc1C,BTABFSBNCJTUPJ-UHFFFAOYSA-N
-rxn:4:187656:226741,CCN(C1CCCCC1)S(=O)(=O)c1cc(C)c(-c2cc(C(F)(F)F)ccc2C#N)cc1C,VQXGXDBAPANUBL-UHFFFAOYSA-N
-rxn:4:187667:223593,Cc1c(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c(Cl)c2)cccc1C1CCCN(C(=O)OC(C)(C)C)C1,SIQYCLHGFMHJLY-UHFFFAOYSA-N
-rxn:4:187670:223646,CC1CN(C(=O)OC(C)(C)C)CCC1c1cc(Cl)cc(-c2ccc(OC3CCN(C(=O)OC(C)(C)C)C3)cc2)c1,BHXSUGIFHVWRLJ-UHFFFAOYSA-N
-rxn:4:187681:226655,Cc1cc(-c2cc(Cl)cnc2N2CCCC2)cc(C2CCN(C(=O)OC(C)(C)C)CC2C)c1,IMRBAGYMWSVDOZ-UHFFFAOYSA-N
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-rxn:4:187933:223786,CC1CCN(C(=O)COc2ccc3ccccc3c2-c2ccc(OCCCN3CCN(C)CC3)c(Cl)c2)CC1,ZUZNZGNPNAPAFR-UHFFFAOYSA-N
-rxn:4:187941:222758,Cc1cc(-c2cccc3cc([Si](C)(C)C)n(C(=O)OC(C)(C)C)c23)ccc1NC(=O)OC(C)(C)C,MQMVFRKCQGTPNV-UHFFFAOYSA-N
-rxn:4:188466:223840,COC(=O)c1cc([N+](=O)[O-])c(F)cc1-c1ccc(OC)c(S(=O)(=O)N2CCN(C)CC2)c1,CTHPLXNQMPNQSP-UHFFFAOYSA-N
-rxn:4:188485:223840,COC(=O)c1cc(C(F)(F)F)ncc1-c1ccc(OC)c(S(=O)(=O)N2CCN(C)CC2)c1,FVEMXKHWEWUUNM-UHFFFAOYSA-N
-rxn:4:188927:223559,CCS(=O)(=O)c1cc(C(F)(F)F)cnc1-c1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)OC(C)(C)C,FNPMAWOTMQLLME-UHFFFAOYSA-N
-rxn:4:188932:223787,COC(=O)c1cc(Cl)c(S(N)(=O)=O)c(-c2ccc(OCCCN3CCN(C)CC3)c(F)c2)c1,DLVJQDKVTYBYEF-UHFFFAOYSA-N
-rxn:4:189147:223843,CCN(CC)S(=O)(=O)c1ccc(-c2cc(C(=O)N(C)C)cc(C(F)(F)F)c2)c(C(F)(F)F)c1,GZKAKQDPMDVBSA-UHFFFAOYSA-N
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-rxn:4:204184:222957,Cc1cc(-c2c(C)cc(C)c(S(=O)(=O)N3CCN(c4cccc(Cl)c4C)CC3)c2C)cc(C2CCCNC2)c1,SEOBBDNLHCHAJF-UHFFFAOYSA-N
-rxn:4:204404:223872,CCOC(=O)c1nc2n(c1-c1cccc(C(=O)N(CC)C3CCCCC3)c1)CCCC2,CYNCQBARAMFOEM-UHFFFAOYSA-N
-rxn:4:204510:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3ccc4c(n3)CN(C(=O)OC(C)(C)C)C4)cc21,UOFBNORXIDWZEK-UHFFFAOYSA-N
-rxn:4:204577:223557,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc4c(=O)n(C)n(C(=O)OC(C)(C)C)c4c3)c(F)ccc21,TWEOAGLUTCKYEE-UHFFFAOYSA-N
-rxn:4:204601:224670,CN1CCN(Cc2ccc(F)c(-c3cnc4c(c3)CN(C(=O)OC(C)(C)C)CC4)c2)CC1,GNMTXAATJACBNI-UHFFFAOYSA-N
-rxn:4:204615:224300,COc1cc(C(=O)N2CCSCC2)ccc1-c1cc(Cl)c2cccnc2c1OC(=O)N1CCCCC1,MKISCAWIYFQXCS-UHFFFAOYSA-N
-rxn:4:204776:224485,CC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2ccc(N3C(=O)N(c4cccc(C(F)(F)F)c4)C4CS(=O)(=O)CC43)cc2)c1,FBVXYPLIAAJONJ-UHFFFAOYSA-N
-rxn:4:205885:223786,CN1CCN(CCCOc2ccc(-c3ncc(C(=O)N4CCOCC4)s3)cc2Cl)CC1,DUOSUIPYAOQSGV-UHFFFAOYSA-N
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-rxn:4:207064:224752,Cc1cc(-c2ccc(S(=O)(=O)N3CCCC3)cc2C)c(S(=O)(=O)N2CCN(C)CC2)cc1Cl,PTVGXZPXUFOFDP-UHFFFAOYSA-N
-rxn:4:207081:225898,CC1(C)OCC2(CO1)CN(C(=O)c1cncc(-c3cnn(CCN4CCOCC4)c3)c1)C2,UPRIXZRWDZGMQE-UHFFFAOYSA-N
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-rxn:4:207747:223840,COc1ccc(-c2ccc(N3C(=NC(C)=O)SC4CS(=O)(=O)CC43)cc2)cc1S(=O)(=O)N1CCN(C)CC1,MTBFPHAOIMNVOX-UHFFFAOYSA-N
-rxn:4:209558:223532,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)cc(-c3cncc(N4CCOCC4=O)c3)c2)CC1,IENLHQIVUVMTMD-UHFFFAOYSA-N
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-rxn:4:210970:223761,Cn1ncc(-c2ccc(C3CCCN3C(=O)OC(C)(C)C)cc2)c1C12CC(C)(C)CC1O2,GDZZXAFSWMWYFE-UHFFFAOYSA-N
-rxn:4:211060:223696,CN1CCN(C2CCCc3cc(-c4ccc(S(=O)(=O)N5CCC6(CC5)OCCO6)cc4)ccc32)CC1,WBSSDUWIWSDOON-UHFFFAOYSA-N
-rxn:4:211068:224662,CN1CCN(Cc2ccc(F)cc2-c2ccc3c(c2)N2CCCC2=C(C#N)S3(=O)=O)CC1,DJZSWEFRPNTBNF-UHFFFAOYSA-N
-rxn:4:212511:224420,Cc1cc2c(cc1-c1cnn(CC3CN(C(=O)CCC(F)(F)F)C3)c1)C(C)(C)CCC2(C)C,GQPLLCMTCBGUFB-UHFFFAOYSA-N
-rxn:4:212541:223748,CC(C)(C)OC(=O)N1CC(COc2cncc(-c3cc(N4CCCCC4)cc(N4CCCCC4)c3)n2)C1,KMKNNSQXIBPTBH-UHFFFAOYSA-N
-rxn:4:212607:224393,CCC(CC)C(=O)N1CCC(Oc2ncc(-c3cc(C(F)(F)F)ccc3N3CCOCC3)cn2)CC1,MXPCJSAGNNQBPI-UHFFFAOYSA-N
-rxn:4:212616:225996,CCOc1ncc(C(F)(F)F)cc1-c1cncc(C(=O)OCC(=O)N2CCN(c3ccccc3F)CC2)c1,HHKNIOBGYUKOHG-UHFFFAOYSA-N
-rxn:4:212622:222707,CC(C)(C)OC(=O)NCc1nccc(-c2cnc(OCC3CCCN(C(=O)Cc4ccc(F)cc4)C3)nc2)c1F,SDDRQRRUBIUNIZ-UHFFFAOYSA-N
-rxn:4:212630:224826,CCOC(=O)c1cc(-c2cncc(C(=O)N3CCCC(COc4ncccc4C(F)(F)F)C3)c2)cnc1C(F)(F)F,JUGSQHRLMAOHJU-UHFFFAOYSA-N
-rxn:4:212640:225824,CCN(CC)S(=O)(=O)c1c(C)nn(S(=O)(=O)c2ccc(-c3cc(C4CC4)cc(C(F)(F)F)c3)cc2)c1C,ICDHAUWSIFGILQ-UHFFFAOYSA-N
-rxn:4:212650:227249,CCCOc1ccc(Cl)c(-c2cnc(OCC3CCCN(C(=O)CC(C)(C)C)C3)nc2)c1,LOXPLPXLGPLSMN-UHFFFAOYSA-N
-rxn:4:212653:223106,COC(=O)c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)c(-c2cnc(N3CCC(O)C3)nc2Cl)n1,GIOLZYGKSCAFNN-UHFFFAOYSA-N
-rxn:4:212658:225877,COC(=O)c1ncc(-c2ccc(Cl)cc2N2CCOCC2)cc1N1CCN(C(=O)OC(C)(C)C)CC1,LKBYGXBZRDAMRU-UHFFFAOYSA-N
-rxn:4:212680:225984,Cc1ccc(OCC2CCN(C(=O)Cc3ccc(F)cc3-c3cnc(Cl)c(N4CCOCC4)c3)CC2)nn1,MPWWVAXXGFLVNB-UHFFFAOYSA-N
-rxn:4:212684:223822,CC(C)(C)COC(=O)c1ccc(C(F)(F)F)cc1-c1ccc(-c2cnc(SCC(=O)N3CCCC3)n2-c2ccc(F)cc2)cc1,ZBSYAFNDOIGTJQ-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:4:212691:223660,CN(C(=O)c1ccc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)s2)nc1)C1CCN(C(=O)OC(C)(C)C)CC1,WYFNIKPUPMUCPR-UHFFFAOYSA-N
-rxn:4:212691:223888,CN(C(=O)c1ccc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CCC3)nc1)C1CCN(C(=O)OC(C)(C)C)CC1,LJCPREMPXSNRFJ-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:4:212740:223776,CC(C)(C)OC(=O)N1CCN(c2cc(CN3CCCCC3)cc(-c3ccc4c(c3)CN(C(=O)OC(C)(C)C)CCO4)c2)CC1,ZCMQZLCBFXZSHR-UHFFFAOYSA-N
-rxn:4:212771:225221,CC1CCCN(c2cc(-c3ccc4nc(N(CCN(C)C)C(=O)C5=COCCO5)sc4c3)c(F)cn2)C1,NORCLAMKSUWSGW-UHFFFAOYSA-N
-rxn:4:212771:225881,CN(C)CCN(C(=O)C1=COCCO1)c1nc2ccc(-c3ccc(C4CCOCC4)nc3F)cc2s1,XFNWAPRTCBZPMB-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:4:212846:223835,CC(=O)N1CCc2c(sc3nc(SCc4ccc(-c5cc(S(=O)(=O)N6CCC(C)CC6)c(C)cc5F)cc4)n(Cc4ccco4)c(=O)c23)C1,IHCDZRBAAKZXRX-UHFFFAOYSA-N
-rxn:4:212892:224718,CC(C)(C)OC(=O)N(c1ncc(-c2ccc(OCCN3CCOCC3)nc2)cn1)C1CC1,DNRHTUSVGGZTQM-UHFFFAOYSA-N
-rxn:4:212938:224660,CCC(=O)N1CCCC(COc2ncc(-c3ccc(C(=O)N4CCN(C)CC4)cc3)cn2)C1,JXYIZUNRNUDLBF-UHFFFAOYSA-N
-rxn:4:212944:222947,CCOC(=O)N1CCN(c2ncc(C(F)(F)F)cc2-c2cnc(N3CCCC(O)C3)nc2Cl)CC1,ZWPQOQLXLGGFOG-UHFFFAOYSA-N
-rxn:4:213041:225312,CN1CCCN(c2ncc(-c3cnc(OC4CCN(C(=O)OC(C)(C)C)CC4)cn3)cn2)CC1,GNPLRKPKKUFJMO-UHFFFAOYSA-N
-rxn:4:213041:225584,CC(C)(C)OC(=O)N1CCC(Oc2cnc(-c3ccc(C(=O)N4CCCC4)cc3)cn2)CC1,BCZXPBYETBWPSD-UHFFFAOYSA-N
-rxn:4:213044:223660,CC(C)(C)OC(=O)N1CCC(Oc2ncc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)s3)cn2)CC1,ULAZXBKNOGOMOZ-UHFFFAOYSA-N
-rxn:4:213096:223774,COc1cccc2c1cc(-c1ccc(C#N)c(N3CCN(C(=O)OC(C)(C)C)CC3)c1)n2C(=O)OC(C)(C)C,NILVIPRIMSQLOD-UHFFFAOYSA-N
-rxn:4:213100:225876,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cc(Cl)ccc3N3CCOCC3)c(C(F)(F)F)n2)CC1,LNNUOUVIUCSYRH-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:4:213126:225984,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cnc(Cl)c(N4CCOCC4)c3)nc2)CC1,DYXSQOWCOGVUTP-UHFFFAOYSA-N
-rxn:4:213131:225266,CCCOc1ccc(C(F)(F)F)cc1-c1cnc(OCC2CCN(C(=O)C(C)(C)C)CC2)nc1,MIMXHXHPCRBMSK-UHFFFAOYSA-N
-rxn:4:213141:226848,COc1ccc(-c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)ccc2[N+](=O)[O-])c(C(F)(F)F)n1,USRAGUIEFIHWSM-UHFFFAOYSA-N
-rxn:4:213150:224328,CC1CCCCN1S(=O)(=O)c1cccc(-c2ccc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)nc2)c1,SBRILHLCTKRUHH-UHFFFAOYSA-N
-rxn:4:213150:226327,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(-c3ccc(C4(C#N)CC4)cc3Cl)cn2)CC1,BNRFEMRGOIALSU-UHFFFAOYSA-N
-rxn:4:213150:227958,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(-c3ccnc(C4CCC4)c3)cn2)CC1,KTKDHPHJZULQDC-UHFFFAOYSA-N
-rxn:4:213172:224011,CN1CCN(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCC(CSc5nccn5C)CC4)cc3)cc2F)CC1,LTBACMGHRDRJLI-UHFFFAOYSA-N
-rxn:4:213213:226021,CN(c1cccc(-c2cc(Cl)ccc2OCC(F)(F)F)n1)C1CCN(C(=O)OC(C)(C)C)CC1,RCNXMKFRCTZRLU-UHFFFAOYSA-N
-rxn:4:213218:223937,C[C@H]1CN(Cc2ccc(-c3cc4cccc(Cl)c4n3C(=O)OC(C)(C)C)cn2)CCN1C(=O)OC(C)(C)C,DSDXMFKYMGUGNK-IBGZPJMESA-N
-rxn:4:213258:225210,Cc1nc(N2CCC(C)CC2)ncc1-c1c(C)nn(CC2CCCN(C(=O)OC(C)(C)C)C2)c1C,VGCYTSHRMSXVOT-UHFFFAOYSA-N
-rxn:4:213281:226690,Cc1nc(-c2cscn2)ccc1-c1cccnc1OC1CCN(C(=O)C2CCN(S(C)(=O)=O)CC2)CC1,QFBFNVSNBJRLBU-UHFFFAOYSA-N
-rxn:4:213289:223646,CC(C)(C)OC(=O)N1CCC(c2nc(C(C)(C)C)ncc2-c2ccc(OC3CCN(C(=O)OC(C)(C)C)C3)cc2)CC1,SPMJAPCQZXMCNM-UHFFFAOYSA-N
-rxn:4:213289:225899,Cc1cc(-c2cnc(C(C)(C)C)nc2C2CCN(C(=O)OC(C)(C)C)CC2)n(C(=O)OC(C)(C)C)n1,YGYUCKUMQCLROG-UHFFFAOYSA-N
-rxn:4:213320:225297,COC(=O)c1nc(-c2cccc(S(=O)(=O)N3CCCC3)c2)n2c1CN(C(=O)OC(C)(C)C)CC2,BEHSCGKLTMWGHH-UHFFFAOYSA-N
-rxn:4:213349:223589,Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1nn(Cc2ccccc2)c2c1CN(C(=O)OC(C)(C)C)C2,IDNPQVGMRBMWNM-UHFFFAOYSA-N
-rxn:4:213387:224651,CC(C)(C)OC(=O)N1CCC(Cn2cnc3cc(-c4c(F)cccc4O[Si](C)(C)C(C)(C)C)ccc32)CC1,FYONWAJUWVLZRO-UHFFFAOYSA-N
-rxn:4:213601:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3cc(N(C)C(=O)OC(C)(C)C)nn3C)cc21,YZRGZPCBWJFGSI-UHFFFAOYSA-N
-rxn:4:213638:224073,CC[Si](CC)(CC)c1cc2cccc(-c3cnn(CC4CN(C(=O)C5CC(F)(F)C5)C4)c3)c2s1,SZCYTWOVTFCRLP-UHFFFAOYSA-N
-rxn:4:213755:224356,CC(C)(C)OC(=O)N1CCN(c2nc(-c3cc4sc(Cl)cc4n3C(=O)OC(C)(C)C)cs2)CC1,JWPFEXRIENGWFS-UHFFFAOYSA-N
-rxn:4:213765:225898,CC(C)(C)OC(=O)N1CCC(c2cncc(-c3cnn(CCN4CCOCC4)c3)n2)C1,GQOUCVVZORNZOS-UHFFFAOYSA-N
-rxn:4:213766:225287,CC(C)(C)OC(=O)c1cnc(Cl)cc1-c1coc(N2CCN(C(=O)OC(C)(C)C)CC2)n1,MYVNKBVVZVUICE-UHFFFAOYSA-N
-rxn:4:213800:224772,CC(C)(C)OC(=O)N1CCOCC1c1cc(-c2ccc(C(=O)N3CCOCC3)cc2Cl)ncn1,SBOCXZUPUFKNOS-UHFFFAOYSA-N
-rxn:4:213801:223886,CC(C)(C)OC(=O)N1CCc2c(cccc2-c2cncc(C3CN(C(=O)OC(C)(C)C)CCO3)n2)C1,BWQQWNDDQRUGED-UHFFFAOYSA-N
-rxn:4:213805:223787,CN1CCN(CCCOc2ccc(-c3cnc(C4CN(C(=O)OC(C)(C)C)CCO4)nc3)cc2F)CC1,WEFUROKPCSLVQD-UHFFFAOYSA-N
-rxn:4:213843:223590,Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1-c1ccnc(N2CCN(C(=O)OC(C)(C)C)CC2=O)c1,ZJWJNKCVHXORLL-UHFFFAOYSA-N
-rxn:4:213880:223527,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)ccc2-c2ccncc2N2CCN(C(=O)OC(C)(C)C)CC2)CC1,FRUQNKCJOQVQEP-UHFFFAOYSA-N
-rxn:4:213889:222538,CC(C)(C)OC(=O)N1CCCC(c2cc(-c3cc(C4CCCC4)nc(C4CCNCC4)c3)ncn2)C1,NUVCLRHZZVNOBN-UHFFFAOYSA-N
-rxn:4:213893:225975,CC(C)(C)OC(=O)N1CCN(c2cncc(-c3ccnc(N4CCOCC4)c3Cl)c2)CC1,PIBCRJDHUNJSBB-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:4:213901:223503,CC(C)(C)OC(=O)N1CCC(Oc2cc(F)c(-c3ccc(Cl)nc3N3CCN(C(=O)OC(C)(C)C)CC3)c(F)c2)CC1,UWUQQVQMWISOTR-UHFFFAOYSA-N
-rxn:4:213928:223697,Cc1nccc(OC2CCCN(C(=O)c3ccccc3-c3ccc(S(=O)(=O)N4CCCCC4)cc3C(F)(F)F)C2)n1,FGGIPOYLSCXZIY-UHFFFAOYSA-N
-rxn:4:213944:226539,CCOC(=O)c1ccc(Cl)cc1-c1cnc(C2CCN(C(=O)OC(C)(C)C)CC2C)[nH]1,HBTRFIQOEMBMGE-UHFFFAOYSA-N
-rxn:4:213944:226714,CC1CN(C(=O)OC(C)(C)C)CCC1c1ncc(-c2ccnn2C(=O)OC(C)(C)C)[nH]1,KGPFVZPWRBTNGU-UHFFFAOYSA-N
-rxn:4:213973:227297,CN(C)Cc1ccc(F)c(-c2cc(C(F)(F)F)cnc2N2CCOC(C(=O)N3CCSCC3)C2)c1,MYTMZGPHSWUXEW-UHFFFAOYSA-N
-rxn:4:213973:228872,COC(=O)c1sccc1-c1cc(C(F)(F)F)cnc1N1CCOC(C(=O)N2CCSCC2)C1,IWFACCLTDMXRAC-UHFFFAOYSA-N
-rxn:4:213974:223504,CC(C)(C)OC(=O)N1CCCN(c2cccc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)c([N+](=O)[O-])c3)n2)CC1,OUKUHMPJIPZHHL-UHFFFAOYSA-N
-rxn:4:213980:223823,CC1CN(C(=O)OC(C)(C)C)CCC1c1nccc(-c2cnn(C3CCN(C(=O)OC(C)(C)C)CC3)c2)n1,OTMJOSDKYMZPEB-UHFFFAOYSA-N
-rxn:4:213982:222790,CC1CN(C(=O)OC(C)(C)C)CCC1c1cc(-c2cc(Cl)cc(NC(=O)OC(C)(C)C)c2)ncn1,FIKANMWFSNXJBO-UHFFFAOYSA-N
-rxn:4:213982:226538,CCOC(=O)c1cc(Cl)ccc1-c1cc(C2CCN(C(=O)OC(C)(C)C)CC2C)ncn1,QEFYRIIQYBCXJC-UHFFFAOYSA-N
-rxn:4:213985:223533,Cc1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)c(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)cc2F)c1,BCSWFEDTVMMFNX-UHFFFAOYSA-N
-rxn:4:214026:226981,CCCCCCc1ccsc1-c1cc(C(F)(F)F)cnc1N1CCCC(C(=O)N2CCOCC2)C1,GFWDVEDPCTXYOJ-UHFFFAOYSA-N
-rxn:4:214036:223528,CN(C)c1ccc(C2CC(c3ccc(-c4ccc(F)c(CN5CCN(C(=O)OC(C)(C)C)CC5)c4)cc3)=NN2S(C)(=O)=O)cc1,ZMNYCRGCEXHQBV-UHFFFAOYSA-N
-rxn:4:214059:223637,CC(C)(C)OC(=O)N1CCCC(c2ccccc2-c2ccc(N3CCC4(CC3)CN(C(=O)OC(C)(C)C)C4)nc2)C1,SYROFIYQIOQRIS-UHFFFAOYSA-N
-rxn:4:214065:223840,COc1ccc(-c2ccc(C(=O)n3nc(C)c(S(=O)(=O)N4CCC(C)CC4)c3C)cc2)cc1S(=O)(=O)N1CCN(C)CC1,FARQYIQVFDTQRL-UHFFFAOYSA-N
-rxn:4:214065:225936,Cc1nn(C(=O)c2ccc(-c3cc(C(F)(F)F)cnc3C(C)C)cc2)c(C)c1S(=O)(=O)N1CCC(C)CC1,NYNCWHJFRRTVNI-UHFFFAOYSA-N
-rxn:4:214074:222729,CCCc1cc(-c2ccc(S(=O)(=O)n3nc(C)c(S(=O)(=O)N4CCCC(C)C4)c3C)cc2)cc(C2CCCNC2)n1,HTYKGTMKLXQITJ-UHFFFAOYSA-N
-rxn:4:214083:224010,COc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1ccccc1-c1noc(C2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)n1,XJHHKVWTSPBCTD-UHFFFAOYSA-N
-rxn:4:214180:222791,CC(C)(C)OC(=O)Nc1ccc(Cl)c(-c2ccc3cc(C4CN(C(=O)OC(C)(C)C)C4)nn3c2)c1,IWWAWFZTDOQQFB-UHFFFAOYSA-N
-rxn:4:214201:223521,CC(c1cccc(-c2ccc(N3CC4CC(C3)N4C(=O)OC(C)(C)C)nc2)c1)N1CCN(C(=O)OC(C)(C)C)CC1,AVWMAYYOWFHGJC-UHFFFAOYSA-N
-rxn:4:214202:223931,CC(C)(C)OC(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1c1ncc(-c2cc3ccc(Cl)cc3n2C(=O)OC(C)(C)C)cn1,AYHDKMXTGCLEIO-WGGBDISSSA-N
-rxn:4:214231:225977,CC(C)(C)OC(=O)N1CCOC(c2cn3c(-c4cc(Cl)cnc4N4CCOCC4)cccc3n2)C1,WSVGQHOIFDBAFU-UHFFFAOYSA-N
-rxn:4:214236:222637,CC(NC(=O)OC(C)(C)C)c1ccc(-c2c(-c3ccc(F)cc3)nc3n2CCN(C(=O)OC(C)(C)C)C3)cc1,MMIQCRPVTHMHQE-UHFFFAOYSA-N
-rxn:4:214347:223585,COc1ccc(CN(C)S(=O)(=O)c2ccccc2-c2ccc3c(c2)sc(=NC(=O)c2ccc(S(=O)(=O)N4CCCCC4)cc2)n3C)cc1,APVZXAUWIAZFQH-UHFFFAOYSA-N
-rxn:4:214347:223970,Cc1ccc(-c2ccc3c(c2)sc(=NC(=O)c2ccc(S(=O)(=O)N4CCCCC4)cc2)n3C)cc1S(=O)(=O)N1CCC(C)CC1,PTDIULBKAQLVMT-UHFFFAOYSA-N
-rxn:4:214366:224022,O=C(CCc1ccccc1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)N1C2CCC1c1cncnc1C2,ACZXHOYVSHIARI-UHFFFAOYSA-N
-rxn:4:214630:223839,COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1c(C2CC2)n[nH]c1C(=O)N1CCOCC1,IVZNSSSEWFKUDT-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:4:214773:223508,CC(C)N1CCN(S(=O)(=O)c2cncc(-c3ccc(N4CCN(S(=O)(=O)c5ccc(Cl)cc5)CC4)nc3)c2)CC1,TUDXVGLVPJHVQE-UHFFFAOYSA-N
-rxn:4:214805:222701,O=S(=O)(C1CC1)N1CCCN(c2ccc(-c3cc(C4CCCNC4)cc(C(F)(F)F)c3)cn2)CC1,POKDUPQBQQSQEN-UHFFFAOYSA-N
-rxn:4:214818:223577,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3cnc(N4CCN(C(=O)C5CCCO5)CC4)c(Cl)c3)cc2)CC1,DMMGCWKMYMGCDZ-UHFFFAOYSA-N
-rxn:4:214835:223892,CN1CCN(CCCOc2ccc(-c3cc(Cl)cnc3N3CCOC(C(=O)N4CCOCC4)C3)cc2)CC1,CJQGESXYQAADPR-UHFFFAOYSA-N
-rxn:4:214837:223787,CN1CCN(CCCOc2ccc(-c3cnc(N4CCOC(C(=O)N5CCSCC5)C4)c(Cl)c3)cc2F)CC1,KRJWSKLPJMEYCQ-UHFFFAOYSA-N
-rxn:4:214851:225350,COC(=O)c1cc(C(F)(F)F)ccc1-c1cncc(C(=O)N2CCCN(C3CCC3)CC2)c1,FPLWWFZCBPJXDY-UHFFFAOYSA-N
-rxn:4:214862:224680,O=C(c1ccc(F)c(-c2cncc(C(=O)N3CCCN(C4CCSC4)CC3)c2)c1)N1CCCCC1,LMVJKGLWWNQRKR-UHFFFAOYSA-N
-rxn:4:214867:223945,Cc1cc(-c2ccc(OCCCN3CCOCC3)c(F)c2)cnc1N1CCOC(C(=O)N2CCCC2)C1,CNYGOZLLCCXUEL-UHFFFAOYSA-N
-rxn:4:214874:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnc(N4CCOC(C(=O)N5CCCCC5)C4)c(F)c3)c(F)c2)CC1,FQXUNKXKICSEEN-SOHZNPICSA-N
-rxn:4:215100:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2cnc3n2CCN(C(=O)OC(C)(C)C)CC3)cc1,VMPLVIFRBLYDGM-UHFFFAOYSA-N
-rxn:4:215102:224653,CC(C)(C)OC(=O)N1CCc2nc(-c3ccc(Cl)cc3OCC3CCCCO3)cn2CC1,OOAQGBSVCKFHBK-UHFFFAOYSA-N
-rxn:4:215183:223977,CC(C)(C)OC(=O)c1ccc(C(F)(F)F)cc1-c1cncc(C(=O)N2CC(N3CCc4ccccc4C3)C2)c1,DAJTUZQQPKDYBG-UHFFFAOYSA-N
-rxn:4:215300:226686,Cc1cnn(C2CCCCO2)c1-c1ccc2c(c1)C1CC(c3ccco3)=NN1C1(CCN(Cc3ccccc3)CC1)O2,MDWIOTPZWQDAPO-UHFFFAOYSA-N
-rxn:4:215912:224820,CS(=O)(=O)N1CCN(c2ncc(-c3cccc(S(=O)(=O)N4CCOCC4)c3)cc2Cl)CC1,DXKVSRNLNFQWFT-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:4:217086:223528,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3cnc(N4CCOCC4)nc3Cl)ccc2F)CC1,YYIBQDXHEOJSKF-UHFFFAOYSA-N
-rxn:4:217087:223528,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3cnc(Cl)nc3N3CCOCC3)ccc2F)CC1,HRZCITZBQPMGTN-UHFFFAOYSA-N
-rxn:4:217087:223533,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cnc(Cl)nc3N3CCOCC3)c(F)c2)CC1,KGSQUEKOSISICA-UHFFFAOYSA-N
-rxn:4:217363:223499,CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(-c3n[nH]c4ccc([N+](=O)[O-])c(Cl)c34)ccc2Cl)CC1,KHWLJBMJYMVXEP-UHFFFAOYSA-N
-rxn:4:217792:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3csc4c(N5CCOCC5)nc(Cl)nc34)c2Cl)CC1,GKEVLFYDVVOSCZ-UHFFFAOYSA-N
-rxn:4:218567:223595,CN(CC1CN(C(=O)OC(C)(C)C)C1)c1cnc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c(F)c2)cn1,WXFZUXRSBDLRIR-UHFFFAOYSA-N
-rxn:4:218587:225313,CN1CCN(c2ccc(-c3cnc(OCC4CCN(S(=O)(=O)c5ccc(C#N)cc5)CC4)nc3)c(F)n2)CC1,WXFPSQDDAMLLJS-UHFFFAOYSA-N
-rxn:4:218589:225979,N#Cc1ccc(S(=O)(=O)N2CCCC(COc3ncc(-c4cnc(N5CCOCC5)c(Cl)c4)cn3)C2)cc1,HGISLUIXPCUSHR-UHFFFAOYSA-N
-rxn:4:218600:226560,CCOc1cc(F)c(-c2cnn(CCN3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1OC,VVHJMOSSFXAYNR-UHFFFAOYSA-N
-rxn:4:218606:224196,CCN1CCN(Cc2cc(F)cc(-c3cnc(OCC4CCCN(C(=O)c5cccnc5OC)C4)nc3)c2)CC1,DODAYZOHFHISMZ-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:4:218631:227530,COC(=O)c1ccc(F)c(-c2cnc(OCC3CCN(C4CCN(CC(F)(F)F)C4=O)CC3)nc2)c1,IDRVQZSDGKUICI-UHFFFAOYSA-N
-rxn:4:218652:224356,CN(CC1CCN(C(=O)OC(C)(C)C)CC1)c1cnc(-c2cc3sc(Cl)cc3n2C(=O)OC(C)(C)C)cn1,BNFNWDLZJSMMKT-UHFFFAOYSA-N
-rxn:4:218704:223602,Cc1cc(Cl)ccc1OCC(=O)N1CCCN(c2cc(-c3ccc(-c4ccnc(N5CCN(C(=O)OC(C)(C)C)CC5)c4Cl)cc3)n[nH]2)CC1,AFLYHPKRXAYWKA-UHFFFAOYSA-N
-rxn:4:218710:226945,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(C)cc5cccnc45)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,FUOMZMVBMYYXND-UHFFFAOYSA-N
-rxn:4:218714:224770,Cc1cc(-c2c(C)nn(CCC(=O)N3CCN(S(=O)(=O)c4c(C)cc(C)cc4C)CC3)c2C)cc(S(=O)(=O)N2CCCC2)c1,VKJLGKHDSGMXLG-UHFFFAOYSA-N
-rxn:4:218721:224704,CCCCCCCn1c(-c2cc(F)c(F)c(N3CCC(C)CC3)c2)nc2c1c(=O)n(C)c(=O)n2C,CQJMJWLLGVBDIP-UHFFFAOYSA-N
-rxn:4:218754:223590,Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1-c1csc2c(=O)n(C3CCN(C(=O)OC(C)(C)C)CC3)c(=O)n(CC#N)c12,FRGHWZGRXMCKHC-UHFFFAOYSA-N
-rxn:4:218998:227480,CCCOc1nccc(-c2cnc(OCC3CCCN(C(=O)N4CCOCC4)C3)nc2)c1Cl,WGMKAULPPASMCG-UHFFFAOYSA-N
-rxn:4:219028:222438,CC1CN(C(=O)c2cnn(C)c2-c2cc(C(=O)Nc3cc([N+](=O)[O-])ccc3F)ccc2Cl)CCN1C(=O)OC(C)(C)C,YVARHISERZDRSH-UHFFFAOYSA-N
-rxn:4:219203:223728,CCCCCC1CCC(c2ccc(-c3ccc4c(c3)C(c3ccccn3)=N[C@@H](CCC(=O)OC)c3ncc(C)n3-4)c(F)c2)CC1,OGXAPQIRVFPHDG-ZKMANVEGSA-N
-rxn:4:219243:223659,CC(C)(C)OC(=O)N1CCC(Cn2cc(-c3ncn(C4CN(C(=O)OC(C)(C)C)C4)n3)cn2)CC1,BLOJXSBWPAJTIE-UHFFFAOYSA-N
-rxn:4:219244:222634,CC(C)(C)OC(=O)N1CC(n2ncnc2-c2ccc(OCCNC3CCCC3)c(F)c2)C1,IZOROIGCZDDTED-UHFFFAOYSA-N
-rxn:4:219371:224270,CC(C)(C)OC(=O)N1CCC(n2cnnc2-c2cn(C(=O)OC(C)(C)C)c3ncccc23)CC1,MDNAROLTGQVCRY-UHFFFAOYSA-N
-rxn:4:219383:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cnc(OCC4CCCN(c5ccncc5Cl)C4)nc3)c2Cl)CC1,WPTWVIVJPACBSI-UHFFFAOYSA-N
-rxn:4:219403:223572,CC1CCN(S(=O)(=O)c2ccc(-c3cnn(CC4CN(C5CCN(C6CC6)C5=O)C4)c3)c3ccccc23)CC1,YWJMJBYJGNMQAD-UHFFFAOYSA-N
-rxn:4:219413:224009,COc1ccc(-c2cnccc2OC2CCN(c3cc(C)nc(SC)n3)C2)cc1S(=O)(=O)N1CCOCC1,CVXWEZORXVPKJB-UHFFFAOYSA-N
-rxn:4:219419:222846,Cc1nc(N2CCN(C(=O)c3ccc(-c4cc(C5CCCNC5)ccc4C#N)o3)CC2)cc(C(F)(F)F)n1,IQHDBSBLOAJOEQ-UHFFFAOYSA-N
-rxn:4:219456:223574,CC1CN(C(=O)OC(C)(C)C)CCC1n1ncc(-c2cccc(CN3CCN(C(=O)OC(C)(C)C)CC3)c2)n1,MAWHOGZIYSEGCE-UHFFFAOYSA-N
-rxn:4:219471:222546,CSc1ncc(-c2ccc(OCCNC3CCCCC3)c(F)c2)c(N2CCOC(C(=O)N3CCCC3)C2)n1,FBCJXJQNXOIHHI-UHFFFAOYSA-N
-rxn:4:219479:223787,CN1CCN(CCCOc2ccc(-c3ccc(Cl)c(C(=O)N4CCCN(S(=O)(=O)c5c[nH]cn5)CC4)c3)cc2F)CC1,QPONRFZFZLRRJB-UHFFFAOYSA-N
-rxn:4:219488:223932,C[C@H]1CN(C(=O)OC(C)(C)C)CCN1c1ncc(-c2cc3c(Cl)cccc3n2C(=O)OC(C)(C)C)cn1,CAQWMIJKXRGGLM-KRWDZBQOSA-N
-rxn:4:219488:224670,C[C@H]1CN(C(=O)OC(C)(C)C)CCN1c1ncc(-c2cc(CN3CCN(C)CC3)ccc2F)cn1,LAQNOUWIZJHYAP-IBGZPJMESA-N
-rxn:4:219501:223438,CSc1ncc(-c2cn[nH]c2C(F)(F)F)c(N2CCOC(C(=O)N3CCOCC3)C2)n1,JQXJMOSRLHDFTA-UHFFFAOYSA-N
-rxn:4:219501:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3cnc(SC)nc3N3CCOC(C(=O)N4CCOCC4)C3)c2)CC1,HQYVRYLFTAEMIW-UHFFFAOYSA-N
-rxn:4:219627:227673,CC(C)(C)OC(=O)N1C2CCC1CN(c1nnc(-c3cccc(C(C)(F)F)c3F)s1)C2,BYHIMYXFCUXGJE-UHFFFAOYSA-N
-rxn:4:219627:227714,CC(C)(C)OC(=O)N1C2CCC1CN(c1nnc(-c3ccc(SC(F)(F)F)cc3)s1)C2,BSZXUHUHWHKNLK-UHFFFAOYSA-N
-rxn:4:219639:223933,CC(C)(C)OC(=O)N1CCC(c2nc3ccc(-c4cc5cc(F)ccc5n4C(=O)OC(C)(C)C)cn3n2)C1,HUPXWINONCOWFK-UHFFFAOYSA-N
-rxn:4:219766:222439,O=C(c1cncc(-c2ccc(S(=O)(=O)NC3CCCCC3)cc2C(F)(F)F)c1)N1CCC(Cn2nc3c(cc2=O)CCCC3)CC1,ZRFRAAIQGYXVSA-UHFFFAOYSA-N
-rxn:4:219766:225192,O=C(c1cncc(-c2cc(OC3CCCCC3)ncc2F)c1)N1CCC(Cn2nc3c(cc2=O)CCCC3)CC1,HKMAWHCUMXLHFE-UHFFFAOYSA-N
-rxn:4:219766:226505,CC(C)COc1ncc(-c2cncc(C(=O)N3CCC(Cn4nc5c(cc4=O)CCCC5)CC3)c2)cc1Cl,BEYWMRFDLMQXDN-UHFFFAOYSA-N
-rxn:4:219975:222684,O=C(C1CN(c2ncc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)cn2)CCO1)N1CCCCC1,CMXCYDKRQKIBCI-UHFFFAOYSA-N
-rxn:4:219991:222824,Cc1cc(F)c(-c2cncc(C(=O)N3CCC(N4CC(=O)N(C)C4=O)CC3)c2)cc1S(=O)(=O)NC(C)C,FFOXENYHAGRCSI-UHFFFAOYSA-N
-rxn:4:220137:224753,Cc1ccc(S(=O)(=O)N2CCCC2)cc1-c1ccc2nc(N3CCN(S(=O)(=O)C4CC4)CC3)ncc2c1,MGOMLTHHQJBLRR-UHFFFAOYSA-N
-rxn:4:220221:225876,CN1CCN(C(=O)c2cc3n(n2)CC(c2ccc(-c4cc(Cl)ccc4N4CCOCC4)cc2)OC3)CC1,CTWPSQKKUMNVFJ-UHFFFAOYSA-N
-rxn:4:221126:223061,CCOC(=O)C1CCCN(c2nc3c(S(=O)(=O)c4ccc(-c5cc(C6CCNCC6)ncc5F)cc4)nnn3c3ccsc23)C1,NUEQJYPQTDSBIW-UHFFFAOYSA-N
-rxn:4:221157:222634,O=C(c1cncc(-c2ccc(OCCNC3CCCC3)c(F)c2)c1)N1CCN(CCn2ccnc2)CC1,ZIBGUKRHQPFIHS-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:4:221173:225898,Cn1nc(C(=O)N2CCCC(COc3ncc(-c4cnn(CCN5CCOCC5)c4)cn3)C2)ccc1=O,JHRQRAAMVCTPKB-UHFFFAOYSA-N
-rxn:4:221177:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cnc(N4CCC(COc5cc(C6CC6)ncn5)CC4)nc3)c2Cl)CC1,FGHFDHIZLJCABC-UHFFFAOYSA-N
-rxn:4:221237:223595,Cc1[nH]c2ccccc2c1C(=O)CSc1nnc2c(=O)n(-c3ccc(-c4ccc(N5CCN(C(=O)OC(C)(C)C)CC5)c(F)c4)cc3)ccn12,GNYGVTNIDKPCMF-UHFFFAOYSA-N
-rxn:4:221245:224672,CCN1CCN(c2ccc(-c3cncc(C(=O)N4CCC(COc5ccc6nc(C)c(C)n6n5)CC4)c3)c(Cl)c2)CC1,NKJPRQLPGUMPJC-UHFFFAOYSA-N
-rxn:4:221249:223525,CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(-c3cnn4cc(-c5ccc(N6CCN(C(=O)OC(C)(C)C)CC6)cc5)cnc34)c2)CC1,YYNHGHHQOLIGHE-UHFFFAOYSA-N
-rxn:4:221310:223592,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(OCC4CCCN(c5nncs5)C4)nc3)c(Cl)c2)CC1,QYONWXCKOBYJND-UHFFFAOYSA-N
-rxn:4:221346:223591,CC(C)(C)OC(=O)N1CCN(c2ccc(F)c(-c3cnc(OCC4CCCN(c5ncncc5F)C4)nc3)c2)CC1,BNPHMLKGPKFBDJ-UHFFFAOYSA-N
-rxn:4:221348:223529,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cnc(OCC4CCCN(c5ncc(F)cn5)C4)nc3)cc2F)CC1,BNOGZBRIBYMHGK-UHFFFAOYSA-N
-rxn:4:221404:223489,CN(C)c1nccc(N2CCN(Cc3cccc(-c4ccc(S(=O)(=O)N5CCC(O[Si](C)(C)C(C)(C)C)CC5)cc4)c3)CC2)n1,OARQGZSDTLDILC-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:4:221420:222833,CC(C)CCC(=O)Nc1cccc(-c2ccccc2C(=O)N2CCN(c3ccc(N4CCOCC4)nn3)CC2)c1,AKYGRFXDLNJYKN-UHFFFAOYSA-N
-rxn:4:221433:222833,Cc1cc(N2CCCC2)nc(N2CCN(C(=O)c3ccc(-c4cccc(NC(=O)CCC(C)C)c4)cc3)CC2)n1,RJJMSRRSZSFEHG-UHFFFAOYSA-N
-rxn:4:221433:225657,Cc1cc(N2CCCC2)nc(N2CCN(C(=O)c3ccc(-c4ccc(N5CCOCC5)c(C)c4)cc3)CC2)n1,WWPLWENYRMTIAW-UHFFFAOYSA-N
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-rxn:4:221448:223114,CCCNC(=O)c1cccc(-c2ccc(CN3CCN(c4cc(N5CCOCC5)nc(C)n4)CC3)cc2)c1,CICHXUPAKMTEAD-UHFFFAOYSA-N
-rxn:4:221448:224759,Cc1nc(N2CCOCC2)cc(N2CCN(Cc3ccc(-c4cc(F)cc(C(=O)N5CCOCC5)c4)cc3)CC2)n1,KCXVYLYUXAICRR-UHFFFAOYSA-N
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-rxn:4:221633:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3cc(C(F)(F)F)cnc3N3CCN(c4nccc(C)n4)CC3)c2)CC1,IIFJQVPARWQQPV-UHFFFAOYSA-N
-rxn:4:221641:224391,Cc1cc(S(=O)(=O)N2CCOCC2)ccc1-c1cnc(N2CCC(n3nc(C4CC4)ccc3=O)CC2)nc1,BWSQBDHYBVIPSE-UHFFFAOYSA-N
-rxn:4:221730:222546,Cc1nc2cc(F)ccc2c(=O)n1CC1CCN(c2ncc(-c3ccc(OCCNC4CCCCC4)c(F)c3)cn2)CC1,LAZQYDQMDGQEDX-UHFFFAOYSA-N
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-rxn:4:222031:223929,CN(C)c1nccc(N2CCN(c3ncc(C(F)(F)F)cc3-c3cnc4c(c3)CCN(C(=O)OC(C)(C)C)C4)CC2)n1,URKHTEAMIGBRTB-UHFFFAOYSA-N
-rxn:4:222046:222846,CCc1c(C)nc(C2CC2)nc1N1CCN(c2ncc(-c3cc(C4CCCNC4)ccc3C#N)cn2)CC1,KEEGZYCBULQFNH-UHFFFAOYSA-N
-rxn:4:222053:223835,CCc1cc(N2CCN(c3ncc(-c4cc(S(=O)(=O)N5CCC(C)CC5)c(C)cc4F)cn3)CC2)nc(C(C)(C)C)n1,RPSIGLWLTKQMOH-UHFFFAOYSA-N
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-rxn:4:222611:194532,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc2c(c1)OC(=O)N(CC(C)C)C2,HMCQQBDSMINUMG-UHFFFAOYSA-N
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-rxn:4:222741:185563,O=C(Oc1ccc2c(=O)c(Oc3ccccc3-c3cc(C4CC4)nc(C4CCCNC4)c3)coc2c1)N1CCOCC1,CSKSJSAJQWVNHR-UHFFFAOYSA-N
-rxn:4:222741:218676,Cc1nn(CCC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c(C)c1-c1cc(C2CC2)nc(C2CCCNC2)c1,STBDYZDVIVGCBB-UHFFFAOYSA-N
-rxn:4:222741:218688,O=C(COc1ccccc1)N1CCCN(c2cc(-c3ccc(-c4cc(C5CC5)nc(C5CCCNC5)c4)cc3)n[nH]2)CC1,HEDNTEYPXOUAJG-UHFFFAOYSA-N
-rxn:4:222791:176168,CC(C)[Si](c1c(F)cc(-c2cc(NC(=O)OC(C)(C)C)ccc2Cl)cc1F)(C(C)C)C(C)C,PAVGYHUOLWOXRX-UHFFFAOYSA-N
-rxn:4:222791:185095,COc1cccc(C(=O)N(C(C)C)C(C)C)c1-c1cc(NC(=O)OC(C)(C)C)ccc1Cl,RCNPCPDSVUXRJM-UHFFFAOYSA-N
-rxn:4:222821:176168,CC(C)[Si](c1c(F)cc(-c2ccc(F)c(S(=O)(=O)NC(C)(C)C)c2)cc1F)(C(C)C)C(C)C,KUVNJFIAQZLLHY-UHFFFAOYSA-N
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-rxn:4:223520:188571,CC(=O)C(C#N)c1ccc(-c2ccc(C(C)N3CCN(C(=O)OC(C)(C)C)CC3)cc2)cc1,BMEFJYQKAADXFG-UHFFFAOYSA-N
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-rxn:4:223570:187192,COC(=O)[C@@H]1CCCN1[C@@H](C)c1ccc(-c2c(F)ncc3c2ccn3[Si](C(C)C)(C(C)C)C(C)C)cc1,XAOPYIGLKBQEGV-NVQXNPDNSA-N
-rxn:4:223580:189379,COC(=O)c1ccc2c(c1)cc(-c1ccc(S(=O)(=O)N(C)C)cc1C(F)(F)F)n2C(=O)OC(C)(C)C,QBDGQGFRYRECPZ-UHFFFAOYSA-N
-rxn:4:223580:189554,COC(=O)c1ccc2c(c1)cc(-c1cc(F)cc(F)c1N(C)C(=O)C(C)C)n2C(=O)OC(C)(C)C,JPSYQIGAEHBYFV-UHFFFAOYSA-N
-rxn:4:223582:174009,COC(=O)c1ccc2cc(-c3ccc(C(=O)C(C(C)=O)C(=O)OC)cc3)n(C(=O)OC(C)(C)C)c2c1,CEEJATPIGRBIKB-UHFFFAOYSA-N
-rxn:4:223940:187970,CC(C)[Si](C(C)C)(C(C)C)n1cc(-c2ccc3c(c2)OCCN3C(=O)OC(C)(C)C)c2ccccc21,PXKCLMDGTHOPJU-UHFFFAOYSA-N
-rxn:5:177447:225794:225632,COc1cc(-c2cnc(OC3CCCCC3)nc2)cc(-c2cccc(N3CCN(C)CC3)c2)c1OC(C)C,UHNUVTMVEKEQLE-UHFFFAOYSA-N
-rxn:5:177730:226794:225616,CC(C)(C)OC(=O)c1cc(-c2cnc(N3CCSCC3)nc2)ccc1-c1ccccc1C(=O)N1CCCC1,WACYUYKIMZQAJC-UHFFFAOYSA-N
-rxn:5:177731:225817:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(C(=O)OC(C)(C)C)c(-c2ccc(C(F)(F)F)c(C3CC3)c2)c1,ZHJGTCRDKGMOJY-UHFFFAOYSA-N
-rxn:5:177732:226663:223056,CC(C)(C)OC(=O)c1ccc(-c2ccc(N3CCSCC3)nc2)c(-c2ccc(N3CCC(O)CC3)nc2)c1,KZHDCXLCCLQHKZ-UHFFFAOYSA-N
-rxn:5:177736:225798:226135,Cc1cc(C#N)c(C2CC2)cc1-c1ccc(C(=O)OC(C)(C)C)cc1-c1ccc(OC2CCOCC2)nc1,RFYJGUARUADMOJ-UHFFFAOYSA-N
-rxn:5:177891:226759:227563,COc1cc(-c2ccccc2C(=O)SC2CS(=O)(=O)CC2c2cccc(CC(F)(F)F)c2)cc(C(F)(F)F)c1,KMODTRZYRVOJHF-UHFFFAOYSA-N
-rxn:5:178117:227297:226661,CN(C)Cc1ccc(F)c(-c2ccc(-c3cc(N4CCN(C)CC4)cs3)c(OCC3CCOCC3)c2)c1,MUPQEIRHWUGKNK-UHFFFAOYSA-N
-rxn:5:178119:225450:227045,Cc1cc(C(=O)OC(C)(C)C)cc(-c2ccc(C(=O)C3CCCC3)cc2)c1-c1cccc(SC(C)(C)C)c1,OEATWBXGPPZJLM-UHFFFAOYSA-N
-rxn:5:178120:226211:226182,CC(=O)N1CCc2cc(-c3cccc(OCC4CCOCC4)c3-c3cccnc3C3CCCCC3)ccc21,PAOYLKWVTHETRX-UHFFFAOYSA-N
-rxn:5:178295:223243:225933,COC(=O)C1(c2cc(-c3cc(C4CC4)nc(C(F)(F)F)c3)ccc2-c2cc3[nH]ncc3cc2OC)CCC(=O)CC1,UHVJMRLKEGUTGC-UHFFFAOYSA-N
-rxn:5:178295:225783:225933,COC(=O)C1(c2cc(-c3cc(C4CC4)nc(C(F)(F)F)c3)ccc2-c2ccc(OC)cc2-n2cccn2)CCC(=O)CC1,VLPPYNWBLBGTIY-UHFFFAOYSA-N
-rxn:5:178295:225946:227940,CCc1cc(SC)cc(-c2ccc(-c3cc(C(C)=O)cc(C(F)(F)F)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,DXIQZYLXCKPVAC-UHFFFAOYSA-N
-rxn:5:178295:226765:227942,CCc1ccc(-c2ccc(-c3ccc(C(=O)OC)c(F)c3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(OC)c1,CKKLEWGZPTYTPK-UHFFFAOYSA-N
-rxn:5:178295:226911:228431,CCc1cc(C)cc(CC)c1-c1ccc(-c2cc(F)cc(F)c2SC)cc1C1(C(=O)OC)CCC(=O)CC1,WYDLJJROHJZCEI-UHFFFAOYSA-N
-rxn:5:178295:227045:226911,CCc1cc(C)cc(CC)c1-c1ccc(-c2cccc(SC(C)(C)C)c2)c(C2(C(=O)OC)CCC(=O)CC2)c1,HSSNMFDTBBFBCZ-UHFFFAOYSA-N
-rxn:5:178295:227076:227075,CCC(C)c1ccc(F)c(-c2ccc(-c3cc(OC)cc(C(C)C)c3)cc2C2(C(=O)OC)CCC(=O)CC2)c1,HWXVESCWIZJGTO-UHFFFAOYSA-N
-rxn:5:178295:227076:228006,CCC(C)c1ccc(F)c(-c2ccc(-c3cc(OC)c(C)cc3C)cc2C2(C(=O)OC)CCC(=O)CC2)c1,IURUQWFLSZZZSG-UHFFFAOYSA-N
-rxn:5:178295:227312:227591,CCC(C)c1ccc(-c2ccc(-c3ccc(C(F)F)cc3OC)cc2C2(C(=O)OC)CCC(=O)CC2)c(F)n1,BMNDVCJXVYTTFA-UHFFFAOYSA-N
-rxn:5:178295:227346:228255,CCCc1cc(F)c(-c2ccc(-c3ccc(C)c(F)c3OC)cc2C2(C(=O)OC)CCC(=O)CC2)c(F)c1,OPAKQBYFZVNKOP-UHFFFAOYSA-N
-rxn:5:178295:227419:223087,COC(=O)C1(c2cc(-c3cc(C(F)(F)F)cc4[nH]ncc34)ccc2-c2ccc(C3CCC3)nc2F)CCC(=O)CC1,ZYRXULMSUOMWKG-UHFFFAOYSA-N
-rxn:5:178295:227432:223068,COC(=O)C1(c2cc(-c3ccc4[nH]c(C(F)(F)F)cc4c3)ccc2-c2ccc(C3COC3)nc2C)CCC(=O)CC1,YPVVMRUGXFAITR-UHFFFAOYSA-N
-rxn:5:178295:227432:223087,COC(=O)C1(c2cc(-c3cc(C(F)(F)F)cc4[nH]ncc34)ccc2-c2ccc(C3COC3)nc2C)CCC(=O)CC1,NZZDGFBNTWHJKH-UHFFFAOYSA-N
-rxn:5:178295:227591:228428,COC(=O)C1(c2cc(-c3cc(OC)cc(F)c3F)ccc2-c2ccc(C(F)F)cc2OC)CCC(=O)CC1,TVDZNNUOEVWWJB-UHFFFAOYSA-N
-rxn:5:178295:227673:227917,CCc1ccc(OC)c(-c2ccc(-c3cccc(C(C)(F)F)c3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,CMOHBWMJOVSBKT-UHFFFAOYSA-N
-rxn:5:178295:228146:227518,CCc1cncc(-c2ccc(-c3ccc(OC)c(C#N)c3F)cc2C2(C(=O)OC)CCC(=O)CC2)c1OC,JHBYESXGMFCYHC-UHFFFAOYSA-N
-rxn:5:178295:228420:227588,COC(=O)C1(c2cc(-c3c(OC)cc(F)cc3OC)ccc2-c2cc(F)c(SC)c(F)c2)CCC(=O)CC1,TWUIMPWYUDQGJU-UHFFFAOYSA-N
-rxn:5:178295:228500:227287,COC(=O)C1(c2cc(-c3ccc(C(C)C)nc3OC)ccc2-c2cnc(C(F)(F)F)nc2)CCC(=O)CC1,YANKVGUJLSQLIB-UHFFFAOYSA-N
-rxn:5:178295:228976:225933,COC(=O)C1(c2cc(-c3cc(C4CC4)nc(C(F)(F)F)c3)ccc2-c2ccc3c(c2)C=C3)CCC(=O)CC1,SYSNIOAOFKMQRC-UHFFFAOYSA-N
-rxn:5:178313:225394:226190,CC(C)(C)[Si](C)(C)Oc1ccc(-c2cc(C3CCC3)cc(C3CC3)c2)c(-c2ccc(C3CCCC3)cc2F)c1,CCIAPHXFWNLOLA-UHFFFAOYSA-N
-rxn:5:178313:225440:225935,CC(C)c1cc(-c2cc(O[Si](C)(C)C(C)(C)C)ccc2-c2ccc(C3(C#N)CCCC3)cc2)cc(C(F)(F)F)n1,HQYCQPLRQZRTJY-UHFFFAOYSA-N
-rxn:5:178313:227065:225498,CC(C)C(=O)c1cccc(-c2ccc(O[Si](C)(C)C(C)(C)C)cc2-c2cc(C3CCCCC3)ccc2F)c1,FIPXQVIHVSYUSW-UHFFFAOYSA-N
-rxn:5:178315:226146:226191,CC(C)(C)[Si](C)(C)Oc1cc(-c2ccc(SC3CCCC3)cc2)cc(-c2cc(C3CCCC3)ccc2F)c1,MDNZVRQOLYNYQL-UHFFFAOYSA-N
-rxn:5:178467:223065:225849,CCOC(=O)C1=Cc2cc(-c3cnc(N4CCCCC4)cc3F)cc(-c3ccc(N4CCNCC4)cc3F)c2OC1,NYQJGFOZEGULHA-UHFFFAOYSA-N
-rxn:5:178467:223294:225980,CCOC(=O)C1=Cc2cc(-c3cc(N4CCOCC4)ncc3F)cc(-c3csc(N4CCNCC4)n3)c2OC1,VFYJMHCIOCNKFB-UHFFFAOYSA-N
-rxn:5:178467:225784:225980,CCOC(=O)C1=Cc2cc(-c3cc(N4CCOCC4)ncc3F)cc(-c3ccc(CN4CCOCC4)nc3)c2OC1,VRCFNFZFFDTLGQ-UHFFFAOYSA-N
-rxn:5:178467:227376:223062,CCOC(=O)C1=Cc2cc(-c3cnc(C4CCNCC4)cc3F)cc(-c3cncc(N4CCCC4)c3)c2OC1,TYXSDSDDTWYDAN-UHFFFAOYSA-N
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-rxn:5:180662:223004:225933,COC(=O)C1=Cc2cc(-c3cc(C4CC4)nc(C(F)(F)F)c3)cc(-c3ccc(C4CCNCC4)c(F)c3)c2OC1,BJECDSCZFKXPHB-UHFFFAOYSA-N
-rxn:5:180662:223006:225933,COC(=O)C1=Cc2cc(-c3cc(C4CC4)nc(C(F)(F)F)c3)cc(-c3ccc(F)c(C4CCNCC4)c3)c2OC1,MXMLCMLENGAZQI-UHFFFAOYSA-N
-rxn:5:180662:223062:225814,COC(=O)C1=Cc2cc(-c3cccc(C4(C(F)(F)F)CC4)c3)cc(-c3cnc(C4CCNCC4)cc3F)c2OC1,VSFOMMIRDYMVFG-UHFFFAOYSA-N
-rxn:5:180662:223186:225926,COC(=O)C1=Cc2cc(-c3ccc(S(=O)(=O)N4CCC4)cc3)cc(-c3cnn(C4CCCCO4)c3)c2OC1,BEUNRSVOZZJAEM-UHFFFAOYSA-N
-rxn:5:180662:223199:225933,COC(=O)C1=Cc2cc(-c3cc(C4CC4)nc(C(F)(F)F)c3)cc(-c3cccc(C4CCNC4)c3)c2OC1,MZKLERDKNHOMKK-UHFFFAOYSA-N
-rxn:5:180662:225672:225933,COC(=O)C1=Cc2cc(-c3cc(C4CC4)nc(C(F)(F)F)c3)cc(-c3cc(F)nc(C4CCCCC4)c3)c2OC1,IXYMDJSSSZRHPR-UHFFFAOYSA-N
-rxn:5:180662:225811:222988,COC(=O)C1=Cc2cc(-c3cc(C)nc(C4CCNCC4)c3)cc(-c3ccc(C4(C(F)(F)F)CC4)cc3)c2OC1,RLERYFUYBKSRBH-UHFFFAOYSA-N
-rxn:5:180662:225811:223058,COC(=O)C1=Cc2cc(-c3cc(F)nc(C4CCCNC4)c3)cc(-c3ccc(C4(C(F)(F)F)CC4)cc3)c2OC1,RREYTFGRAVKEKO-UHFFFAOYSA-N
-rxn:5:180662:225811:223138,COC(=O)C1=Cc2cc(-c3ccnc(C4CCNCC4)c3)cc(-c3ccc(C4(C(F)(F)F)CC4)cc3)c2OC1,BHJSLKVIANALCW-UHFFFAOYSA-N
-rxn:5:180662:225926:223186,COC(=O)C1=Cc2cc(-c3cnn(C4CCCCO4)c3)cc(-c3ccc(S(=O)(=O)N4CCC4)cc3)c2OC1,KZURMASGOCYVCI-UHFFFAOYSA-N
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-rxn:5:180662:225933:222998,COC(=O)C1=Cc2cc(-c3cc(F)cc(C4CCCNC4)c3)cc(-c3cc(C4CC4)nc(C(F)(F)F)c3)c2OC1,RTSJUTYBCCUCPH-UHFFFAOYSA-N
-rxn:5:180662:225933:223004,COC(=O)C1=Cc2cc(-c3ccc(C4CCNCC4)c(F)c3)cc(-c3cc(C4CC4)nc(C(F)(F)F)c3)c2OC1,HQFRDFKMAPMTBC-UHFFFAOYSA-N
-rxn:5:180662:225933:223006,COC(=O)C1=Cc2cc(-c3ccc(F)c(C4CCNCC4)c3)cc(-c3cc(C4CC4)nc(C(F)(F)F)c3)c2OC1,YOIUDUXQGUHWOZ-UHFFFAOYSA-N
-rxn:5:180662:225933:223199,COC(=O)C1=Cc2cc(-c3cccc(C4CCNC4)c3)cc(-c3cc(C4CC4)nc(C(F)(F)F)c3)c2OC1,XKPXNFQYKZACCR-UHFFFAOYSA-N
-rxn:5:180662:225933:225672,COC(=O)C1=Cc2cc(-c3cc(F)nc(C4CCCCC4)c3)cc(-c3cc(C4CC4)nc(C(F)(F)F)c3)c2OC1,GXYRYQUUFJQWFI-UHFFFAOYSA-N
-rxn:5:180662:225933:227093,COC(=O)C1=Cc2cc(-c3cccnc3C3CCCC3)cc(-c3cc(C4CC4)nc(C(F)(F)F)c3)c2OC1,YDSMZHBNRCOJRS-UHFFFAOYSA-N
-rxn:5:180662:225934:223006,COC(=O)C1=Cc2cc(-c3ccc(F)c(C4CCNCC4)c3)cc(-c3cnc(C(F)(F)F)c(C4CC4)c3)c2OC1,XYPZCXACXYXCQW-UHFFFAOYSA-N
-rxn:5:180662:227298:223058,COC(=O)C1=Cc2cc(-c3cc(F)nc(C4CCCNC4)c3)cc(-c3cc(F)ccc3CN(C)C)c2OC1,DEQWNQQSWJLHQV-UHFFFAOYSA-N
-rxn:5:181628:225880:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2cc(C3CCOCC3)ncc2F)cc1C1OCCO1,MRMXNAUDISWDHU-UHFFFAOYSA-N
-rxn:5:181904:225466:226652,Cc1cc(-c2c(-c3ccc(N4CCCCC4C)cc3)ccc(C3OCCO3)c2C)n(C2CCCCO2)n1,VCZWSXPAEIMBME-UHFFFAOYSA-N
-rxn:5:181904:226686:225472,Cc1cnn(C2CCCCO2)c1-c1ccc(C2OCCO2)c(C)c1-c1cccc(N2CCCCC2C)c1,FPCRXQCSAMEBOD-UHFFFAOYSA-N
-rxn:5:181906:225832:226197,Cc1ccc(-c2c(C)nn(C3CCCCO3)c2C)c(C2OCCO2)c1-c1ccc(C2CCCOC2)cc1,IHXNSJNKNBMBAB-UHFFFAOYSA-N
-rxn:5:181907:222956:226686,Cc1ccc(-c2cc(C)cc(C3OCCO3)c2-c2c(C)cnn2C2CCCCO2)c(C2CCCNC2)c1,BQVYZCLZZJKGOJ-UHFFFAOYSA-N
-rxn:5:181908:225472:226686,Cc1cc(-c2cccc(N3CCCCC3C)c2)c(-c2c(C)cnn2C2CCCCO2)cc1C1OCCO1,KWLJDOYPSUITMZ-UHFFFAOYSA-N
-rxn:5:181908:226652:222956,Cc1ccc(-c2cc(C3OCCO3)c(C)cc2-c2cc(C)nn2C2CCCCO2)c(C2CCCNC2)c1,FZXNXHCZUVHHJJ-UHFFFAOYSA-N
-rxn:5:182013:225832:223140,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2ccnc(C3CCCNC3)c2)c(C2CCOCC2)c1,NHUFODKBKLTBOS-UHFFFAOYSA-N
-rxn:5:188254:225926:225594,COC(=O)c1cc(-c2ccc(S(=O)(=O)N3CCC3)cc2)c(C#N)cc1-c1ccc(F)cc1CN1CCCC1,QDWQVFRHGHUDNO-UHFFFAOYSA-N
-rxn:5:188596:225849:225926,CCOc1c(-c2cnc(N3CCCCC3)cc2F)cc(-c2ccc(S(=O)(=O)N3CCC3)cc2)cc1[N+](=O)[O-],UHBNELAMPGXEHS-UHFFFAOYSA-N
-rxn:5:188596:225926:225849,CCOc1c(-c2ccc(S(=O)(=O)N3CCC3)cc2)cc(-c2cnc(N3CCCCC3)cc2F)cc1[N+](=O)[O-],KZLYMXLRHYNWKC-UHFFFAOYSA-N
-rxn:5:188787:225784:225934,O=[N+]([O-])c1cc(-c2ccc(CN3CCOCC3)nc2)c(-c2cnc(C(F)(F)F)c(C3CC3)c2)cc1OC1CC1,ZPNXKBCYBKTTJC-UHFFFAOYSA-N
-rxn:5:188787:226794:225811,O=[N+]([O-])c1cc(-c2cnc(N3CCSCC3)nc2)c(-c2ccc(C3(C(F)(F)F)CC3)cc2)cc1OC1CC1,QKILPGYSMZSZRC-UHFFFAOYSA-N
-rxn:5:188787:226794:225814,O=[N+]([O-])c1cc(-c2cnc(N3CCSCC3)nc2)c(-c2cccc(C3(C(F)(F)F)CC3)c2)cc1OC1CC1,CPUVINHMEJKOJQ-UHFFFAOYSA-N
-rxn:5:188932:225800:227784,COC(=O)c1cc(-c2ccc(C(=O)N3CCSC3)cc2)c(S(N)(=O)=O)c(-c2cc(F)c(F)c([N+](=O)[O-])c2)c1,SMDIUZZOGLNYFC-UHFFFAOYSA-N
-rxn:5:189001:225880:225934,COC(=O)C1(c2nc(-c3cnc(C(F)(F)F)c(C4CC4)c3)ccc2-c2cc(C3CCOCC3)ncc2F)CC1,LCKYLVYDMHTMII-UHFFFAOYSA-N
-rxn:5:189001:225881:225815,COC(=O)C1(c2nc(-c3ccc(C4CC4)cc3C(F)(F)F)ccc2-c2ccc(C3CCOCC3)nc2F)CC1,UFDCLFOUAACMFA-UHFFFAOYSA-N
-rxn:5:189001:225881:225824,COC(=O)C1(c2nc(-c3cc(C4CC4)cc(C(F)(F)F)c3)ccc2-c2ccc(C3CCOCC3)nc2F)CC1,RLDIRPLHEMWWBX-UHFFFAOYSA-N
-rxn:5:189001:225933:225933,COC(=O)C1(c2nc(-c3cc(C4CC4)nc(C(F)(F)F)c3)ccc2-c2cc(C3CC3)nc(C(F)(F)F)c2)CC1,QKTHBRBFYQXLAC-UHFFFAOYSA-N
-rxn:5:189001:225982:225933,COC(=O)C1(c2nc(-c3cc(C4CC4)nc(C(F)(F)F)c3)ccc2-c2cnc(N3CCOCC3)cc2F)CC1,PMJSVQASMBKFJO-UHFFFAOYSA-N
-rxn:5:189001:226335:225820,COC(=O)C1(c2nc(-c3c(C4CC4)cccc3C(F)(F)F)ccc2-c2ccc(C3COC3)c(C#N)c2)CC1,NULRGODGZWFJBD-UHFFFAOYSA-N
-rxn:5:189001:226426:225933,COC(=O)C1(c2nc(-c3cc(C4CC4)nc(C(F)(F)F)c3)ccc2-c2ccc(N3CCC(C)CC3)s2)CC1,AFOQYVMNASBTLC-UHFFFAOYSA-N
-rxn:5:189001:226438:225820,COC(=O)C1(c2nc(-c3c(C4CC4)cccc3C(F)(F)F)ccc2-c2cnc(C3CCCC3)cc2F)CC1,QMDJBRYABWTHGH-UHFFFAOYSA-N
-rxn:5:189001:226440:225819,COC(=O)C1(c2nc(-c3cc(C(F)(F)F)ccc3C3CC3)ccc2-c2cc(F)nc(C3CCCC3)c2)CC1,YAMHISQZDFCHSK-UHFFFAOYSA-N
-rxn:5:189001:226587:225820,COC(=O)C1(c2nc(-c3c(C4CC4)cccc3C(F)(F)F)ccc2-c2cnc(OC3CCC3)cc2F)CC1,ZKAMAVZBVBPLEB-UHFFFAOYSA-N
-rxn:5:189001:226587:225933,COC(=O)C1(c2nc(-c3cc(C4CC4)nc(C(F)(F)F)c3)ccc2-c2cnc(OC3CCC3)cc2F)CC1,VJNOSQPITFCYLE-UHFFFAOYSA-N
-rxn:5:189001:226661:225933,COC(=O)C1(c2nc(-c3cc(C4CC4)nc(C(F)(F)F)c3)ccc2-c2cc(N3CCN(C)CC3)cs2)CC1,CGUJJXDLWXSMTF-UHFFFAOYSA-N
-rxn:5:189079:225849:223006,CCN(C)C(=O)c1ccc(-c2ccc(F)c(C3CCNCC3)c2)c(-c2cnc(N3CCCCC3)cc2F)c1,TXFHILDXCMHKNB-UHFFFAOYSA-N
-rxn:5:189079:225881:223006,CCN(C)C(=O)c1ccc(-c2ccc(F)c(C3CCNCC3)c2)c(-c2ccc(C3CCOCC3)nc2F)c1,XDYJRZKXBZYRIB-UHFFFAOYSA-N
-rxn:5:189079:225978:223004,CCN(C)C(=O)c1ccc(-c2ccc(C3CCNCC3)c(F)c2)c(-c2ccc(N3CCOCC3)nc2F)c1,HTCZBLGWEPHVCO-UHFFFAOYSA-N
-rxn:5:189079:225978:223006,CCN(C)C(=O)c1ccc(-c2ccc(F)c(C3CCNCC3)c2)c(-c2ccc(N3CCOCC3)nc2F)c1,SSWYVRCLYSMGPD-UHFFFAOYSA-N
-rxn:5:189079:225978:225849,CCN(C)C(=O)c1ccc(-c2cnc(N3CCCCC3)cc2F)c(-c2ccc(N3CCOCC3)nc2F)c1,NCCVPHZGRYCPJB-UHFFFAOYSA-N
-rxn:5:189079:225982:223006,CCN(C)C(=O)c1ccc(-c2ccc(F)c(C3CCNCC3)c2)c(-c2cnc(N3CCOCC3)cc2F)c1,QZKRTCPVCWHQMM-UHFFFAOYSA-N
-rxn:5:189079:226426:223006,CCN(C)C(=O)c1ccc(-c2ccc(F)c(C3CCNCC3)c2)c(-c2ccc(N3CCC(C)CC3)s2)c1,HYCYQIPRSWUOBI-UHFFFAOYSA-N
-rxn:5:189079:226661:223004,CCN(C)C(=O)c1ccc(-c2ccc(C3CCNCC3)c(F)c2)c(-c2cc(N3CCN(C)CC3)cs2)c1,VZGAKCWPTGRCOF-UHFFFAOYSA-N
-rxn:5:189079:226661:225849,CCN(C)C(=O)c1ccc(-c2cnc(N3CCCCC3)cc2F)c(-c2cc(N3CCN(C)CC3)cs2)c1,WDJJRBVXBLHIJS-UHFFFAOYSA-N
-rxn:5:189207:228210:227591,COc1cc(C(F)F)ccc1-c1ccc(-c2ccc(N3CCCC3)s2)cc1C(=O)ON1C(=O)CCC1=O,KDBYMFBAJZEIOG-UHFFFAOYSA-N
-rxn:5:189207:228796:223062,COc1ccc(F)c(-c2ccc(-c3cnc(C4CCNCC4)cc3F)c(C(=O)ON3C(=O)CCC3=O)c2)c1,JYRTYKLURWKORY-UHFFFAOYSA-N
-rxn:5:189207:228803:223007,C[Si](C)(C)c1csc(-c2ccc(-c3cc(F)cc(C4CCNCC4)c3)c(C(=O)ON3C(=O)CCC3=O)c2)c1,CFCAGDIVJQFSCK-UHFFFAOYSA-N
-rxn:5:189208:223388:223294,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc(S(=O)(=O)O)cc2)cc1-c1csc(N2CCNCC2)n1,LSWIOZFCJUJOSW-UHFFFAOYSA-N
-rxn:5:189208:228210:227591,COc1cc(C(F)F)ccc1-c1cc(-c2ccc(N3CCCC3)s2)ccc1C(=O)ON1C(=O)CCC1=O,WWQZBTRSUWYOIA-UHFFFAOYSA-N
-rxn:5:189208:228789:223062,COc1cc(F)ccc1-c1ccc(C(=O)ON2C(=O)CCC2=O)c(-c2cnc(C3CCNCC3)cc2F)c1,DNRYLKXXMGNISI-UHFFFAOYSA-N
-rxn:5:189209:223294:223388,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccc(S(=O)(=O)O)cc2)cc(-c2csc(N3CCNCC3)n2)c1,HMPBWFFIHKZRLC-UHFFFAOYSA-N
-rxn:5:189210:226664:228870,COC(=O)c1csc(-c2cccc(-c3cc(N4CCCC4)ncc3F)c2C(=O)ON2C(=O)CCC2=O)c1,YDFCINLXBUQBIT-UHFFFAOYSA-N
-rxn:5:189210:228870:223062,COC(=O)c1csc(-c2cccc(-c3cnc(C4CCNCC4)cc3F)c2C(=O)ON2C(=O)CCC2=O)c1,MHRFXAKXNZIZRM-UHFFFAOYSA-N
-rxn:5:189210:228964:223065,COC(=O)c1ncc(-c2cccc(-c3ccc(N4CCNCC4)cc3F)c2C(=O)ON2C(=O)CCC2=O)s1,AAGMOYKQWSQNSV-UHFFFAOYSA-N
-rxn:5:189211:223388:223294,O=C(ON1C(=O)CCC1=O)c1cccc(-c2ccc(S(=O)(=O)O)cc2)c1-c1csc(N2CCNCC2)n1,YHUNCVBIXLUIEJ-UHFFFAOYSA-N
-rxn:5:189211:228794:223006,C[Si](C)(C)c1ccc(-c2cccc(C(=O)ON3C(=O)CCC3=O)c2-c2ccc(F)c(C3CCNCC3)c2)s1,QGFFHAVDIMLSKX-UHFFFAOYSA-N
-rxn:5:189211:228794:223065,C[Si](C)(C)c1ccc(-c2cccc(C(=O)ON3C(=O)CCC3=O)c2-c2ccc(N3CCNCC3)cc2F)s1,SCNXYJVJYSFIOO-UHFFFAOYSA-N
-rxn:5:189212:223294:223388,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc(S(=O)(=O)O)cc2)c(-c2csc(N3CCNCC3)n2)c1,WMDVLLYHMLDIKW-UHFFFAOYSA-N
-rxn:5:189212:228872:223006,COC(=O)c1sccc1-c1cc(C(=O)ON2C(=O)CCC2=O)ccc1-c1ccc(F)c(C2CCNCC2)c1,IHZPUFRMPUIZAQ-UHFFFAOYSA-N
-rxn:5:189212:229146:223006,COCn1cc(-c2cc(C(=O)ON3C(=O)CCC3=O)ccc2-c2ccc(F)c(C3CCNCC3)c2)cn1,INXHGQMEKCBLSY-UHFFFAOYSA-N
-rxn:5:189448:225926:227684,COC1CN(C(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCC4)cc3)c(-c3cnn(CC4OCCO4)c3)c2)C1,LWKXNCURSMZSMX-UHFFFAOYSA-N
-rxn:5:189662:222998:227780,O=[N+]([O-])c1ccc(F)c(-c2ncc(-c3cc(F)cc(C4CCCNC4)c3)cc2OCC2CCOCC2)c1F,OPUBFOGPSLBIKN-UHFFFAOYSA-N
-rxn:5:189718:222998:228476,O=[N+]([O-])c1cc(-c2cccnc2C(F)(F)F)c(-c2cc(F)cc(C3CCCNC3)c2)cc1OC1CCOCC1,MSPHPZHQXJJWLH-UHFFFAOYSA-N
-rxn:5:189718:223068:223186,O=[N+]([O-])c1cc(-c2cnn(C3CCCCO3)c2)c(-c2ccc3[nH]c(C(F)(F)F)cc3c2)cc1OC1CCOCC1,VSRLPOARHCUWEH-UHFFFAOYSA-N
-rxn:5:189718:223068:227613,O=[N+]([O-])c1cc(-c2cnn(C3CCOCC3)c2)c(-c2ccc3[nH]c(C(F)(F)F)cc3c2)cc1OC1CCOCC1,ADHOEVDBTYRBOF-UHFFFAOYSA-N
-rxn:5:189718:223086:227103,O=[N+]([O-])c1cc(-c2sccc2C2CCCCC2)c(-c2cc3[nH]ncc3cc2C(F)(F)F)cc1OC1CCOCC1,SJAWWFXWRJHAIV-UHFFFAOYSA-N
-rxn:5:189718:223087:227103,O=[N+]([O-])c1cc(-c2sccc2C2CCCCC2)c(-c2cc(C(F)(F)F)cc3[nH]ncc23)cc1OC1CCOCC1,MJWFOSCKYJJUJY-UHFFFAOYSA-N
-rxn:5:189718:223090:227449,O=[N+]([O-])c1cc(-c2ccc(C3CCOCC3)s2)c(-c2ccc3[nH]nc(C(F)(F)F)c3c2)cc1OC1CCOCC1,YEIJTGVMRSYGIQ-UHFFFAOYSA-N
-rxn:5:189718:226663:228496,O=[N+]([O-])c1cc(-c2cnn(CC(F)(F)F)c2)c(-c2ccc(N3CCSCC3)nc2)cc1OC1CCOCC1,ZXNMGECTZHDKLS-UHFFFAOYSA-N
-rxn:5:189718:227103:223087,O=[N+]([O-])c1cc(-c2cc(C(F)(F)F)cc3[nH]ncc23)c(-c2sccc2C2CCCCC2)cc1OC1CCOCC1,WQQWXOZHRVEBNP-UHFFFAOYSA-N
-rxn:5:189718:227103:228500,O=[N+]([O-])c1cc(-c2cnc(C(F)(F)F)nc2)c(-c2sccc2C2CCCCC2)cc1OC1CCOCC1,NUMKKJYVWSYBNI-UHFFFAOYSA-N
-rxn:5:189718:227119:223087,O=[N+]([O-])c1cc(-c2cc(C(F)(F)F)cc3[nH]ncc23)c(-c2cc(C3CCCCC3)cs2)cc1OC1CCOCC1,QJQWYTBQPXERQE-UHFFFAOYSA-N
-rxn:5:189718:227403:223087,O=[N+]([O-])c1cc(-c2cc(C(F)(F)F)cc3[nH]ncc23)c(-c2ccc(N3CCCCC3)s2)cc1OC1CCOCC1,CILSWMFBEKCMHH-UHFFFAOYSA-N
-rxn:5:189718:227684:228496,O=[N+]([O-])c1cc(-c2cnn(CC(F)(F)F)c2)c(-c2cnn(CC3OCCO3)c2)cc1OC1CCOCC1,TZBNTFMUJCESKL-UHFFFAOYSA-N
-rxn:5:189718:227689:227403,O=[N+]([O-])c1cc(-c2ccc(N3CCCCC3)s2)c(-c2ccc(CC(F)(F)F)nc2)cc1OC1CCOCC1,NEHOTQCCOILLTM-UHFFFAOYSA-N
-rxn:5:189718:227689:228210,O=[N+]([O-])c1cc(-c2ccc(N3CCCC3)s2)c(-c2ccc(CC(F)(F)F)nc2)cc1OC1CCOCC1,CHGRZYCTBQGWET-UHFFFAOYSA-N
-rxn:5:189718:228496:227684,O=[N+]([O-])c1cc(-c2cnn(CC3OCCO3)c2)c(-c2cnn(CC(F)(F)F)c2)cc1OC1CCOCC1,QKRXTTZPUWSQPY-UHFFFAOYSA-N
-rxn:5:189829:226154:227052,COc1cc(C(C)(C)C)ccc1-c1cc(C(=O)N2CCCC2)cc(-c2ccc(SC(C)(C)C)cc2)c1OC,SGYVZYKEZFSFOJ-UHFFFAOYSA-N
-rxn:5:189952:225655:225980,COc1c(-c2cncc(N3CCC(C)CC3)c2)cc(C(=O)N2CCOCC2)cc1-c1cc(N2CCOCC2)ncc1F,YRLNORXDCPQOJW-UHFFFAOYSA-N
-rxn:5:189952:225833:227376,COc1c(-c2cncc(N3CCCC3)c2)cc(C(=O)N2CCOCC2)cc1-c1ccnc(N2CCCCC2)c1F,LFJDQBHPVNIHQC-UHFFFAOYSA-N
-rxn:5:190000:226450:223065,CC1(c2cccc(-c3cc(-c4ccc(N5CCNCC5)cc4F)ccc3CC(=O)N3CCCCC3)c2)OCCO1,GCSQCJMYSOLJGA-UHFFFAOYSA-N
-rxn:5:190097:226662:227297,CN(C)Cc1ccc(F)c(-c2ccc(-c3ccc(N4CCN(C)CC4)s3)cc2CCN2CCCCC2)c1,OVJYRLOUSLBFSZ-UHFFFAOYSA-N
-rxn:5:190128:225450:228939,COC1CCN(C(=O)c2ccc(-c3ccc(C(=O)C4CCCC4)cc3)c(-c3c(F)cc(F)cc3F)c2)CC1,YZLHDZDHGNGPMO-UHFFFAOYSA-N
-rxn:5:190128:226843:227432,COC1CCN(C(=O)c2ccc(-c3ccc(C(=O)C(F)(F)F)nc3)c(-c3ccc(C4COC4)nc3C)c2)CC1,BYSVRVIMQVIUMZ-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:5:190131:228753:225872,COc1c(-c2cc(F)c(F)c(N3CCCC3)c2)cc(C(=O)N2CCCCC2)cc1-c1cccc(F)c1C#N,MAWZCDSQVMDSAM-UHFFFAOYSA-N
-rxn:5:190132:227581:226794,CCOc1c(F)ccc(-c2ccc(C(=O)N3CCC(OC)CC3)c(-c3cnc(N4CCSCC4)nc3)c2)c1F,JHIFYJWNUCDLBC-UHFFFAOYSA-N
-rxn:5:190194:227303:225881,COC1CCN(Cc2cccc(-c3cccc(CN(C)C)c3F)c2-c2ccc(C3CCOCC3)nc2F)CC1,NTRAHGXSMGRYRB-UHFFFAOYSA-N
-rxn:5:190195:222417:223056,CC(C)c1[nH]c(=O)ncc1-c1ccc(CN(C)C2CCOCC2)cc1-c1ccc(N2CCC(O)CC2)nc1,ZZCOWSNOQJWUBH-UHFFFAOYSA-N
-rxn:5:190196:223061:228361,CN(C)c1cc(-c2cc(-c3cc(C4CCNCC4)ncc3F)ccc2CN(C)C2CCOCC2)c(F)cn1,DTAHMNXKZUZIOW-UHFFFAOYSA-N
-rxn:5:190196:227297:223004,CN(C)Cc1ccc(F)c(-c2ccc(CN(C)C3CCOCC3)c(-c3ccc(C4CCNCC4)c(F)c3)c2)c1,SPGDKZJLXNXCEV-UHFFFAOYSA-N
-rxn:5:190196:227297:223006,CN(C)Cc1ccc(F)c(-c2ccc(CN(C)C3CCOCC3)c(-c3ccc(F)c(C4CCNCC4)c3)c2)c1,QIIRYOFFKZBSCF-UHFFFAOYSA-N
-rxn:5:190196:227297:223058,CN(C)Cc1ccc(F)c(-c2ccc(CN(C)C3CCOCC3)c(-c3cc(F)nc(C4CCCNC4)c3)c2)c1,XJMVJHYGTOAMLZ-UHFFFAOYSA-N
-rxn:5:190196:227297:225849,CN(C)Cc1ccc(F)c(-c2ccc(CN(C)C3CCOCC3)c(-c3cnc(N4CCCCC4)cc3F)c2)c1,IKDLGQMXBJIQRD-UHFFFAOYSA-N
-rxn:5:190196:227298:223006,CN(C)Cc1ccc(F)cc1-c1ccc(CN(C)C2CCOCC2)c(-c2ccc(F)c(C3CCNCC3)c2)c1,LIILPOGNFZECLU-UHFFFAOYSA-N
-rxn:5:190196:227298:223058,CN(C)Cc1ccc(F)cc1-c1ccc(CN(C)C2CCOCC2)c(-c2cc(F)nc(C3CCCNC3)c2)c1,UOTUOSHUWXEREA-UHFFFAOYSA-N
-rxn:5:190196:227298:225849,CN(C)Cc1ccc(F)cc1-c1ccc(CN(C)C2CCOCC2)c(-c2cnc(N3CCCCC3)cc2F)c1,CRDJVVYOGUJJNQ-UHFFFAOYSA-N
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-rxn:5:190197:228363:225976,CN(C)c1cc(F)c(-c2cc(-c3ccnc(N4CCOCC4)c3F)ccc2CN(C)C2CCOCC2)cn1,MJPQAGAJDMLABF-UHFFFAOYSA-N
-rxn:5:190198:228361:225976,CN(C)c1cc(-c2cccc(-c3ccnc(N4CCOCC4)c3F)c2CN(C)C2CCOCC2)c(F)cn1,CTRXFKWPZUTOQP-UHFFFAOYSA-N
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-rxn:5:190199:227297:225849,CN(C)Cc1ccc(F)c(-c2ccc(-c3cnc(N4CCCCC4)cc3F)cc2CN(C)C2CCOCC2)c1,VPLBSSDIUWFRFV-UHFFFAOYSA-N
-rxn:5:190199:227298:223006,CN(C)Cc1ccc(F)cc1-c1ccc(-c2ccc(F)c(C3CCNCC3)c2)cc1CN(C)C1CCOCC1,QTXGRPMTJFEWJH-UHFFFAOYSA-N
-rxn:5:190199:227298:223058,CN(C)Cc1ccc(F)cc1-c1ccc(-c2cc(F)nc(C3CCCNC3)c2)cc1CN(C)C1CCOCC1,VFMNNTOSNRNEFD-UHFFFAOYSA-N
-rxn:5:190199:227298:225849,CN(C)Cc1ccc(F)cc1-c1ccc(-c2cnc(N3CCCCC3)cc2F)cc1CN(C)C1CCOCC1,YFLQMUJEYDWNSU-UHFFFAOYSA-N
-rxn:5:190199:227303:223006,CN(C)Cc1cccc(-c2ccc(-c3ccc(F)c(C4CCNCC4)c3)cc2CN(C)C2CCOCC2)c1F,NWADRXFRNUVRLX-UHFFFAOYSA-N
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-rxn:5:190199:228361:225978,CN(C)c1cc(-c2ccc(-c3ccc(N4CCOCC4)nc3F)cc2CN(C)C2CCOCC2)c(F)cn1,QOQMNEBWMFQVOK-UHFFFAOYSA-N
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-rxn:5:190200:223064:228361,CN(C)c1cc(-c2cc(CN(C)C3CCOCC3)cc(-c3ccc(C4CCNCC4)nc3F)c2)c(F)cn1,QRJJSQLKXCCAFG-UHFFFAOYSA-N
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-rxn:5:190264:226058:225886,CC1CCN(C(=O)Cc2ccc(-c3ccc4c(ccn4S(C)(=O)=O)c3)c(-c3c(C(C)C)cccc3C(C)C)c2)CC1,GDFIWDULOOWKON-UHFFFAOYSA-N
-rxn:5:190307:225677:225886,CC1CCN(CCc2cc(-c3ccc(C4CCCCC4)nc3F)ccc2-c2ccc3c(ccn3S(C)(=O)=O)c2)CC1,LTCUYYFDGNNGFO-UHFFFAOYSA-N
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-rxn:5:190742:223062:223064,CCOC(=O)c1cnc2c(C)ccc(-c3cnc(C4CCNCC4)cc3F)c2c1-c1ccc(C2CCNCC2)nc1F,NIIQQHZFUSDDOY-UHFFFAOYSA-N
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-rxn:5:190742:225849:223062,CCOC(=O)c1cnc2c(C)ccc(-c3cnc(N4CCCCC4)cc3F)c2c1-c1cnc(C2CCNCC2)cc1F,BOJUKULSBAZEDF-UHFFFAOYSA-N
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-rxn:5:190798:225453:226064,CC(C)(C)OC(=O)n1cc(-c2cccc(SC3CCCCC3)c2)c2cc(-c3ccc(C4CCCCC4)cc3)ccc21,VXZKYBGEZAOWSM-UHFFFAOYSA-N
-rxn:5:190833:228447:227045,CC(C)(C)OC(=O)N1Cc2c(-c3cccc(SC(C)(C)C)c3)ccc(-c3cccc(C(F)F)c3F)c2C1=O,GOXDGZHGNSOINV-UHFFFAOYSA-N
-rxn:5:190859:226322:227052,Cc1cc(C(=O)N(C)C)ccc1-c1ccc2c(c1-c1ccc(SC(C)(C)C)cc1)CCN2C(=O)OC(C)(C)C,LXWRUUANBLJMBX-UHFFFAOYSA-N
-rxn:5:193229:225834:227376,O=C(c1cccc(-c2cc(N3CCCCC3)ncc2F)c1-c1cncc(N2CCCC2)c1)N1CCOCC1,BBIVYNUTDKMDRA-UHFFFAOYSA-N
-rxn:5:193229:225881:223006,O=C(c1cccc(-c2ccc(C3CCOCC3)nc2F)c1-c1ccc(F)c(C2CCNCC2)c1)N1CCOCC1,XUIZNBVFZZCLDB-UHFFFAOYSA-N
-rxn:5:193230:225591:227521,COC(=O)c1cnc(C)c(-c2cc(-c3cc(CN4CCCC4)ccc3F)ccc2C(=O)N2CCOCC2)c1,DGUBKTLJXPWNGU-UHFFFAOYSA-N
-rxn:5:193230:226661:227298,CN(C)Cc1ccc(F)cc1-c1cc(-c2cc(N3CCN(C)CC3)cs2)ccc1C(=O)N1CCOCC1,ZXHXQNYIDUUMAC-UHFFFAOYSA-N
-rxn:5:193231:227303:223064,CN(C)Cc1cccc(-c2ccc(C(=O)N3CCSCC3)c(-c3ccc(C4CCNCC4)nc3F)c2)c1F,OOXWZCSTSBZAII-UHFFFAOYSA-N
-rxn:5:193331:225976:223141,Fc1c(-c2ccc(CN3CCOCC3)c(-c3cncc(C4CCNCC4)c3)c2)ccnc1N1CCOCC1,HTXQOQWTKLIKON-UHFFFAOYSA-N
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-rxn:5:193382:222960:226366,Cc1cc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3ccnc(N4CCCCC4)c3)c2)cc(C2CCNCC2)c1,LHYBIEWYDNFFJY-UHFFFAOYSA-N
-rxn:5:193382:222986:222987,Cc1cc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3ccc(C4CCNCC4)nc3C)c2)cc(C2CCCNC2)n1,KUIZBAJMWDOOAT-UHFFFAOYSA-N
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-rxn:5:193382:223004:223134,O=S(=O)(c1ccc(-c2ccc(C3CCNCC3)c(F)c2)cc1-c1cnccc1C1CCCNC1)N1CCOCC1,ADBHGBHWMJQUAY-UHFFFAOYSA-N
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-rxn:5:193382:223064:223001,O=S(=O)(c1ccc(-c2ccc(C3CCNCC3)nc2F)cc1-c1cc(C2CCCNC2)ccc1F)N1CCOCC1,SEJJIPIUQMIRGZ-UHFFFAOYSA-N
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-rxn:5:193382:223140:223008,O=S(=O)(c1ccc(-c2ccnc(C3CCCNC3)c2)cc1-c1cc(C2CCNCC2)ccc1F)N1CCOCC1,AABRJTQOCXJPOB-UHFFFAOYSA-N
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-rxn:5:193382:223378:225982,O=S(=O)(c1ccc(-c2cnc3c(c2)NCCO3)cc1-c1cnc(N2CCOCC2)cc1F)N1CCOCC1,LCPDIPRCNHYALC-UHFFFAOYSA-N
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-rxn:5:193382:225978:227437,O=S(=O)(c1ccc(-c2ccc(N3CCOCC3)nc2F)cc1-c1ccnc(C2CCCO2)c1)N1CCOCC1,YRKCWTNXPXOGFN-UHFFFAOYSA-N
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-rxn:5:193506:229146:222992,COCn1cc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3ccc(N4CCCCC4O)cc3)c2)cn1,PDHIYBXWNSJQOM-UHFFFAOYSA-N
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-rxn:5:193681:226662:227346,CCCc1cc(F)c(-c2ccc(-c3ccc(N4CCN(C)CC4)s3)cc2OC2CCN(C)CC2)c(F)c1,MXMLBKNTICLISP-UHFFFAOYSA-N
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-rxn:5:193756:226182:227387,CC1CCCCN1C(=O)c1ccc(-c2cccnc2C2CCCCC2)cc1-c1ccnc(N2CCCC2)c1,CVZGIKRZRKIHEM-UHFFFAOYSA-N
-rxn:5:193756:226183:226366,CC1CCCCN1C(=O)c1ccc(-c2cnccc2C2CCCCC2)cc1-c1ccnc(N2CCCCC2)c1,IVWVPIVRHDGOSP-UHFFFAOYSA-N
-rxn:5:193756:226366:222981,CC1CCCCN1C(=O)c1ccc(-c2ccnc(N3CCCCC3)c2)cc1-c1ccnc(NC2CCCCC2)c1,JOYOAGGRYSGURV-UHFFFAOYSA-N
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-rxn:5:193756:226679:226588,CC1CCCCN1C(=O)c1ccc(-c2cnc(N3CCCC3)cc2F)cc1-c1cc(OC2CCC2)ncc1F,MQHHJCXQRXMPHZ-UHFFFAOYSA-N
-rxn:5:193756:227025:226744,CCc1cc(-c2cc(-c3cc(C4CC4)cnc3CC)ccc2C(=O)N2CCCCC2C)cnc1C(F)(F)F,OBBRUHPKYZGVHS-UHFFFAOYSA-N
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-rxn:5:193867:228121:226338,CCOc1nccc(C)c1-c1cc(-c2ccnc(OC3CCCC3)c2)cc(C2(N3CCC(=O)CC3)CC2)c1,JPCVLFMEXXPKIC-UHFFFAOYSA-N
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-rxn:5:193868:226040:226765,COC(=O)c1ccc(-c2ccc(-c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3C)cc2C(=O)N2CC(C)OC(C)C2)c(F)c1F,IKZOHQVHYLMPJL-UHFFFAOYSA-N
-rxn:5:193868:228064:226861,CC1CN(C(=O)c2cc(-c3cnc4c(c3)C(=O)CC4)ccc2-c2ccc(OC(F)(F)F)c(F)c2)CC(C)O1,SJDSQIGAFFUSMT-UHFFFAOYSA-N
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-rxn:5:193869:228872:222960,COC(=O)c1sccc1-c1cc(C)c(-c2cc(C)cc(C3CCNCC3)c2)cc1S(=O)(=O)N1CCCCC1,ANLXZZJOOHBWAZ-UHFFFAOYSA-N
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-rxn:5:194522:226662:225632,CC(C)CN1CCc2c1ccc(-c1ccc(N3CCN(C)CC3)s1)c2-c1cccc(N2CCN(C)CC2)c1,PZRREERPJPWDMV-UHFFFAOYSA-N
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-rxn:5:196858:226686:226686,Cc1cnn(C2CCCCO2)c1-c1cnc(C2CCOCC2)cc1-c1c(C)cnn1C1CCCCO1,AIEDVZWQAAAYIZ-UHFFFAOYSA-N
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-rxn:5:197876:225603:228568,CN(C)c1cccc(-c2cc3c(cc2-c2cccc(C4(C#N)CCC4)c2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,XHDSCWGFPPFSQV-UHFFFAOYSA-N
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-rxn:5:197876:225679:227068,CC(C)Cc1ccc(-c2cc3c(cc2-c2ccc(N4CCCCC4)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c(F)c1,XQPWCDHCMOBEPM-UHFFFAOYSA-N
-rxn:5:197876:225818:228930,CSc1c(-c2cc3c(cc2-c2ccc(C(F)(F)F)cc2C2CC2)S(=O)(=O)N(C(C)(C)C)C3=O)ccnc1F,OJXSOVJQTUBJEE-UHFFFAOYSA-N
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-rxn:5:197876:225820:227835,Cc1ccc(-c2cc3c(cc2-c2c(C4CC4)cccc2C(F)(F)F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1C1CC1,JUCAOYRATJAZCM-UHFFFAOYSA-N
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-rxn:5:197876:225823:223192,CNS(=O)(=O)c1cc(-c2cc3c(cc2-c2cc(C(C)C)cc(C(F)(F)F)c2)S(=O)(=O)N(C(C)(C)C)C3=O)ccc1F,WFQGDNUSBFLZSI-UHFFFAOYSA-N
-rxn:5:197876:225927:228800,CSc1ccc(F)cc1-c1cc2c(cc1-c1cc(C(F)(F)F)ccc1N(C)C)S(=O)(=O)N(C(C)(C)C)C2=O,GPJUOLRSPZRETL-UHFFFAOYSA-N
-rxn:5:197876:225942:229169,CC(C)c1ncc(-c2cc3c(cc2-c2cscc2C(F)F)C(=O)N(C(C)(C)C)S3(=O)=O)cc1C(F)(F)F,DTGZODUYDCXFBK-UHFFFAOYSA-N
-rxn:5:197876:225946:226085,CC(=O)c1cc(-c2cc3c(cc2-c2ccc4c(c2)CCC(C)(C)O4)C(=O)N(C(C)(C)C)S3(=O)=O)cc(C(F)(F)F)c1,NVNJAWIXPYGVEU-UHFFFAOYSA-N
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-rxn:5:197876:226031:228733,COc1cc(C)ncc1-c1cc2c(cc1-c1ccc(C(F)(F)F)cc1C(F)F)S(=O)(=O)N(C(C)(C)C)C2=O,ZREXFTCLZAHCBC-UHFFFAOYSA-N
-rxn:5:197876:226067:227100,Cc1cc(C2CC2)cc(F)c1-c1cc2c(cc1-c1ccc(C3=CCCCC3)cc1)S(=O)(=O)N(C(C)(C)C)C2=O,ITGIRAUSJDTFTQ-UHFFFAOYSA-N
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-rxn:5:197876:226154:228344,COc1cc(C(C)(C)C)ccc1-c1cc2c(cc1-c1ccc(SC(F)F)cc1)C(=O)N(C(C)(C)C)S2(=O)=O,YVJAGOLIQKSZPF-UHFFFAOYSA-N
-rxn:5:197876:226181:227028,CC(C)(C)N1C(=O)c2cc(-c3cccc(C4(C#N)CC4)c3)c(-c3ccc(C4=CCCCC4)nc3)cc2S1(=O)=O,IQXHRWMKLVIYLB-UHFFFAOYSA-N
-rxn:5:197876:226190:226155,CC(=O)c1cc(-c2cc3c(cc2-c2ccc(C4CCCC4)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc(C2CC2)c1,WMXTXYXCIANSQC-UHFFFAOYSA-N
-rxn:5:197876:226320:225395,CC(C)(C)c1cc(-c2cc3c(cc2-c2cc(C4(C#N)CC4)ccc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc(C2CC2)c1,SJWVPTXADCACIA-UHFFFAOYSA-N
-rxn:5:197876:226320:227905,CC(C)Cc1cc(-c2cc3c(cc2-c2cc(C4(C#N)CC4)ccc2F)S(=O)(=O)N(C(C)(C)C)C3=O)ccn1,JBELWGNMWMNNJI-UHFFFAOYSA-N
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-rxn:5:197876:226325:228117,CC(C)Oc1cncc(-c2cc3c(cc2-c2ccc(C(C)(C)C#N)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,SNCUOUBOGRBDKN-UHFFFAOYSA-N
-rxn:5:197876:226328:228437,CC(C)(C#N)c1ccc(-c2cc3c(cc2-c2ccc(C(F)F)cc2F)C(=O)N(C(C)(C)C)S3(=O)=O)cc1F,GXFVJROAFZHZHW-UHFFFAOYSA-N
-rxn:5:197876:226331:227922,CCc1cc(OC)ccc1-c1cc2c(cc1-c1ccc(C3(C#N)CC3)cc1F)S(=O)(=O)N(C(C)(C)C)C2=O,NJGHZUQGOILFBC-UHFFFAOYSA-N
-rxn:5:197876:226334:225814,Cc1cc(C(=O)N(C)C)cc(-c2cc3c(cc2-c2cccc(C4(C(F)(F)F)CC4)c2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,XSDYCVZSKDYNLA-UHFFFAOYSA-N
-rxn:5:197876:226576:227052,CN(C)C(=O)c1cc(-c2cc3c(cc2-c2ccc(SC(C)(C)C)cc2)C(=O)N(C(C)(C)C)S3(=O)=O)ccc1F,DPQDPTTWOOJYID-UHFFFAOYSA-N
-rxn:5:197876:226581:226610,CCc1cc(-c2cc3c(cc2-c2cccc(C(=O)N(C)C)c2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc(C(F)(F)F)c1,BMOPZRILQMIQJP-UHFFFAOYSA-N
-rxn:5:197876:226589:227336,CC(C)Oc1cc(F)ccc1-c1cc2c(cc1-c1cc(C(F)F)ncc1C(C)C)S(=O)(=O)N(C(C)(C)C)C2=O,YGRXRPOHLBDHET-UHFFFAOYSA-N
-rxn:5:197876:226593:227838,Cc1ccc(C2CC2)c(-c2cc3c(cc2-c2c(F)ccc(OC(C)C)c2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,KMUAGCWUKIHDQD-UHFFFAOYSA-N
-rxn:5:197876:226601:228388,Cc1cnc(C(F)F)cc1-c1cc2c(cc1-c1c(OC(C)C)ccc(F)c1F)S(=O)(=O)N(C(C)(C)C)C2=O,VKNHKQQGKBMOQZ-UHFFFAOYSA-N
-rxn:5:197876:226605:227812,CC(C)Cc1cccc(-c2cc3c(cc2-c2cc(F)c(OC(C)C)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,DTNPOGQGPSWSEP-UHFFFAOYSA-N
-rxn:5:197876:226736:228268,CSc1c(-c2cc3c(cc2-c2ccc(C(F)(F)F)cc2C#N)S(=O)(=O)N(C(C)(C)C)C3=O)ccc(C)c1F,XZUBMOPZKHKSFN-UHFFFAOYSA-N
-rxn:5:197876:226761:223358,CSc1ccc(-c2cc3c(cc2-c2ccc(NC(C)=O)cc2)C(=O)N(C(C)(C)C)S3(=O)=O)c(C(F)(F)F)c1,LNHKHYGJKFVZCA-UHFFFAOYSA-N
-rxn:5:197876:226762:227293,CSc1cc(-c2cc3c(cc2-c2cncc(OC(C)(C)C)c2)C(=O)N(C(C)(C)C)S3(=O)=O)cc(C(F)(F)F)c1,VINUKRWRRBGKBO-UHFFFAOYSA-N
-rxn:5:197876:226768:223353,CSc1ccc(-c2cc3c(cc2-c2cccc(NC(C)=O)c2)C(=O)N(C(C)(C)C)S3(=O)=O)cc1C(F)(F)F,FFZSVGAZLCGSNJ-UHFFFAOYSA-N
-rxn:5:197876:226768:227021,CSc1ccc(-c2cc3c(cc2-c2ccc(C4(C#N)CC4)cc2)C(=O)N(C(C)(C)C)S3(=O)=O)cc1C(F)(F)F,UKNZFPRJVHUYDQ-UHFFFAOYSA-N
-rxn:5:197876:226851:227940,CCc1cc(SC)cc(-c2cc3c(cc2-c2cc(OC)ncc2C(F)(F)F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,NSDXPMSOUUOBHU-UHFFFAOYSA-N
-rxn:5:197876:226883:227558,Cc1cc(OC(F)F)ccc1-c1cc2c(cc1-c1c(F)ccc(C(F)(F)F)c1F)S(=O)(=O)N(C(C)(C)C)C2=O,FLSQHWXFNVXDOP-UHFFFAOYSA-N
-rxn:5:197876:226891:223191,CNS(=O)(=O)c1ccc(-c2cc3c(cc2-c2cc(C(F)(F)F)cc(F)c2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1F,HDNUJBFRALKFEL-UHFFFAOYSA-N
-rxn:5:197876:226907:226916,CC(C)(C)N1C(=O)c2cc(-c3cccc(C4=CCCC4)c3)c(-c3cccc4c3CCC43CC3)cc2S1(=O)=O,QTICGRRGHBAEFB-UHFFFAOYSA-N
-rxn:5:197876:226914:227409,Cc1cc(CC(C)C)ccc1-c1cc2c(cc1-c1cc(C(C)(C)C)ncc1F)C(=O)N(C(C)(C)C)S2(=O)=O,SHOFCNMOOIOWNN-UHFFFAOYSA-N
-rxn:5:197876:226917:226920,Cc1cc(-c2cc3c(cc2-c2cc(C(C)(C)C)ccc2C)C(=O)N(C(C)(C)C)S3(=O)=O)cc(C(C)(C)C)c1,LRNUBWAVECDQMU-UHFFFAOYSA-N
-rxn:5:197876:226920:227801,Cc1ccc(C(C)(C)C)cc1-c1cc2c(cc1-c1c(C(F)(F)F)ccnc1F)C(=O)N(C(C)(C)C)S2(=O)=O,XPKMNEGBGHNLCU-UHFFFAOYSA-N
-rxn:5:197876:226925:225811,Cc1cc(C2CC2)cc(-c2cc3c(cc2-c2ccc(C4(C(F)(F)F)CC4)cc2)C(=O)N(C(C)(C)C)S3(=O)=O)c1C,GWWBQSIOBWBGMB-UHFFFAOYSA-N
-rxn:5:197876:226926:225820,Cc1cc(C(C)(C)C)ccc1-c1cc2c(cc1-c1c(C3CC3)cccc1C(F)(F)F)C(=O)N(C(C)(C)C)S2(=O)=O,MKJUQGSEXNGCEX-UHFFFAOYSA-N
-rxn:5:197876:226973:223263,CNC(=O)c1ccc(F)c(-c2cc3c(cc2-c2ccc4c(c2)C(C)(C)CO4)S(=O)(=O)N(C(C)(C)C)C3=O)c1,GSCFSCUAOYVWBM-UHFFFAOYSA-N
-rxn:5:197876:226973:227068,CC(C)Cc1ccc(-c2cc3c(cc2-c2ccc4c(c2)C(C)(C)CO4)S(=O)(=O)N(C(C)(C)C)C3=O)c(F)c1,VQWOKGOUSXBQLK-UHFFFAOYSA-N
-rxn:5:197876:227031:226058,CC(C)c1cccc(C(C)C)c1-c1cc2c(cc1-c1ccc(C3CC3)cc1C#N)S(=O)(=O)N(C(C)(C)C)C2=O,PVAMAMXNEBRZMK-UHFFFAOYSA-N
-rxn:5:197876:227048:226068,Cc1cc(C(C)(C)C)cc(C)c1-c1cc2c(cc1-c1ccc(C(=O)C(C)C)cc1)S(=O)(=O)N(C(C)(C)C)C2=O,QYFDQKCUPYFWGG-UHFFFAOYSA-N
-rxn:5:197876:227052:226144,CC(C)(C)Sc1ccc(-c2cc3c(cc2-c2ccc(C#C[Si](C)(C)C)cc2)C(=O)N(C(C)(C)C)S3(=O)=O)cc1,NIGJSTOTFGERTD-UHFFFAOYSA-N
-rxn:5:197876:227068:227671,Cc1cccc(C(F)(F)F)c1-c1cc2c(cc1-c1ccc(CC(C)C)cc1F)S(=O)(=O)N(C(C)(C)C)C2=O,KNMJOXLLFZFMEZ-UHFFFAOYSA-N
-rxn:5:197876:227077:227019,CCC(C)c1ccc(-c2cc3c(cc2-c2cccc(C(C)(C)C#N)c2)C(=O)N(C(C)(C)C)S3(=O)=O)c(F)c1,XSZVXOCINQNKFA-UHFFFAOYSA-N
-rxn:5:197876:227079:226847,CSc1ncc(C(F)(F)F)cc1-c1cc2c(cc1-c1cc(CC(C)C)ccc1F)S(=O)(=O)N(C(C)(C)C)C2=O,SSNBJDYFUWPZRN-UHFFFAOYSA-N
-rxn:5:197876:227102:223263,CNC(=O)c1ccc(F)c(-c2cc3c(cc2-c2cc(C(C)(C)C)ccc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,BYRRLMIJSDZTBG-UHFFFAOYSA-N
-rxn:5:197876:227102:227677,Cc1ccc(C(F)(F)F)c(-c2cc3c(cc2-c2cc(C(C)(C)C)ccc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,IEPSOSBTVXBYNI-UHFFFAOYSA-N
-rxn:5:197876:227108:226058,CC(C)c1cccc(C(C)C)c1-c1cc2c(cc1-c1cc(C3CCC3)ccc1F)S(=O)(=O)N(C(C)(C)C)C2=O,HWFAHCHOZYNHEQ-UHFFFAOYSA-N
-rxn:5:197876:227108:227018,CC(C)(C#N)c1ccc(-c2cc3c(cc2-c2cc(C4CCC4)ccc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1,PFIBLNOVYQVDGX-UHFFFAOYSA-N
-rxn:5:197876:227113:227673,Cc1cc(F)c(C2CC2)cc1-c1cc2c(cc1-c1cccc(C(C)(F)F)c1F)C(=O)N(C(C)(C)C)S2(=O)=O,KYEYWHNPFSSGMA-UHFFFAOYSA-N
-rxn:5:197876:227124:227319,CC(C)Cc1cc(-c2cc3c(cc2-c2ccc(C(C)(C)C)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c(F)cn1,PGDPCXKTQHQIFD-UHFFFAOYSA-N
-rxn:5:197876:227203:227409,CC(C)(C)c1cc(-c2cc3c(cc2-c2ccc4c(c2)OCCCO4)S(=O)(=O)N(C(C)(C)C)C3=O)c(F)cn1,LFCYONKBNHHTAF-UHFFFAOYSA-N
-rxn:5:197876:227314:227558,Cc1cc(OC(F)F)ccc1-c1cc2c(cc1-c1ccc(CC(C)C)nc1F)S(=O)(=O)N(C(C)(C)C)C2=O,CDNCHZPQVFPOIF-UHFFFAOYSA-N
-rxn:5:197876:227326:227525,CCc1cnc(C(F)F)cc1-c1cc2c(cc1-c1cc(C(=O)OC)ccc1C)S(=O)(=O)N(C(C)(C)C)C2=O,SCHYRCFASPXJRU-UHFFFAOYSA-N
-rxn:5:197876:227330:227525,CCc1cnc(C(F)F)cc1-c1cc2c(cc1-c1ccc(C(=O)OC)cc1C)S(=O)(=O)N(C(C)(C)C)C2=O,GIEWFLWPMCRSOE-UHFFFAOYSA-N
-rxn:5:197876:227338:227670,CC(C)Oc1ccc(F)c(-c2cc3c(cc2-c2cc(F)cc(C(C)(F)F)c2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,MZKDBEXOKHHSMX-UHFFFAOYSA-N
-rxn:5:197876:227402:227713,CC(C)(C)c1cc(-c2cc3c(cc2-c2cc(F)ccc2OC(F)F)C(=O)N(C(C)(C)C)S3(=O)=O)cc(F)n1,HUYCEGZTSKBKDP-UHFFFAOYSA-N
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-rxn:4:174526:223561,Cc1c(-c2ccc(N(C(=O)OC(C)(C)C)c3ccccc3)cc2)ccc(O[Si](C(C)C)(C(C)C)C(C)C)c1Cl,AVQPPBAYQRGTBR-UHFFFAOYSA-N
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-rxn:4:178384:225234,Fc1c(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)ccc(N2CCCCC2)c1F,FFBCUPHOULVNDO-UHFFFAOYSA-N
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-rxn:4:178384:228833,Cc1ccc(F)c(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c1F,BAGMEMXIVBHYRB-UHFFFAOYSA-N
-rxn:4:178597:226444,Cc1nc(C2CCCO2)ccc1-c1ccc(OC(=O)C2OC3OC(C)(C)OC3C3OC(C)(C)OC23)cc1,KXDBPJYRZUANMS-UHFFFAOYSA-N
-rxn:4:179722:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3cc(F)cc(C(=O)C(C)(C)F)c3)cc21,NEAHLLVWVOIXDS-UHFFFAOYSA-N
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-rxn:4:183272:228458,CSc1ncc(-c2ccc3c(c2)OCCOCCOCCOCCOCCO3)c(SC)n1,ZUYJMXNHUQCYCQ-UHFFFAOYSA-N
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-rxn:4:183726:225350,CCCOc1cc(-c2ccc(C(F)(F)F)cc2C(=O)OC)ccc1C(=O)ON1C(=O)CCC1=O,XHOVZNTVIQJJIJ-UHFFFAOYSA-N
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-rxn:4:183730:225009,Cc1cnc(OC2CCCCC2)c(-c2ccc(OC(F)(F)F)cc2OCC(=O)N2CCOCC2)c1,XEJXGFUWXXZEEA-UHFFFAOYSA-N
-rxn:4:183743:223902,CCCCOc1cc(-c2ccc(OCCN3CCC(C)CC3)c(F)c2)ccc1C(=O)N1CCC1,OVPBKUKDPGEVIB-UHFFFAOYSA-N
-rxn:4:183818:222637,CC(NC(=O)OC(C)(C)C)c1ccc(-c2ccccc2CN(C(=O)OC(C)(C)C)C2CC2)cc1,FHBBLPKHMDOTBG-UHFFFAOYSA-N
-rxn:4:183837:226438,COC(=O)C1CCN(C(=O)COc2ccc(-c3cnc(C4CCCC4)cc3F)cc2)CC1,NPQSLQYGZUDRKW-UHFFFAOYSA-N
-rxn:4:183862:225896,COCCOc1cc(-c2ccc(OCC3CCN(CC(=O)OC)CC3)cc2)c(F)cc1F,OQGALJRXWRVQEC-UHFFFAOYSA-N
-rxn:4:183872:224008,COCCOc1cc(-c2cc(C(=O)N3CCOCC3)cc([N+](=O)[O-])c2)ccc1C(=O)N1CCCCC1,ZCPYKILWBSXZIL-UHFFFAOYSA-N
-rxn:4:183894:224100,CC1CCN(CCOc2ccccc2-c2cccc(F)c2OCCCN2CCC(C(F)(F)F)CC2)CC1,WFDVFWYVPAPYMJ-UHFFFAOYSA-N
-rxn:4:183905:226709,CCCCN(C(=O)c1ccc(-c2c(C)cc(C(F)(F)F)cc2C)cc1)C1CCS(=O)(=O)C1,JWCIIYBPXUHVNJ-UHFFFAOYSA-N
-rxn:4:183928:225553,CC(C)N(C)C(=O)c1ccc(-c2ccc(C(C)N(C(=O)OC(C)(C)C)C3CC3)cc2)cc1,ZHDFMPKSHHMYSH-UHFFFAOYSA-N
-rxn:4:183942:226892,COc1ccc(-c2cc(F)cc(C(F)(F)F)c2Cl)c(C(=O)N2CC(S(=O)(=O)CC(C)C)C2)c1,CHYFYSHQMDQJFN-UHFFFAOYSA-N
-rxn:4:183964:225569,COC(=O)c1cc(OCCN2CCC(C)CC2)cc(-c2ccc(C3CC3)c(C(=O)OC)c2)c1,OFXIXCYCUINHCS-UHFFFAOYSA-N
-rxn:4:183964:225571,COC(=O)c1cc(OCCN2CCC(C)CC2)cc(-c2ccc(C(=O)OC)cc2C2CC2)c1,ANBZQPDPRDFKNM-UHFFFAOYSA-N
-rxn:4:183969:224101,CCOC(=O)C1CCN(S(=O)(=O)c2ccc(-c3cccc(OCCN4CCC(C)CC4)c3)c(OC)c2)CC1,ZVNVKXWYOOANHV-UHFFFAOYSA-N
-rxn:4:183969:226245,CCCCOc1ccc(-c2ccc(S(=O)(=O)N3CCC(C(=O)OCC)CC3)cc2OC)cc1F,OTGIAQIGVNPCAP-UHFFFAOYSA-N
-rxn:4:183983:225557,COC(=O)C1(c2ccc(-c3ccc(C)c(CN(C(=O)OC(C)(C)C)C(C)C)c3)cc2)CC1,VEMQEIXSNZXSGH-UHFFFAOYSA-N
-rxn:4:183984:225572,COC(=O)c1ccc(C2CC2)cc1-c1ccc(CN(C(=O)OC(C)(C)C)C(C)C)c(C)c1,FFLTUIQMTIPFCJ-UHFFFAOYSA-N
-rxn:4:184001:223818,COC(=O)C1(c2ccc(-c3c(F)cc(F)c4c3ccn4C(=O)OC(C)(C)C)cc2Cl)CCN(C(=O)OC(C)(C)C)C1,DEVBTNZGCDMQPI-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:4:184034:227547,CCOC(=O)C1CCN(S(=O)(=O)c2cc(-c3ccc(OC(F)F)c(C)c3)c(C)cc2OC)CC1,UQOJGGRXYSWPBO-UHFFFAOYSA-N
-rxn:4:184046:225674,COc1cccc(C(=O)N(Cc2cccc(-c3cnc(C4CCCCC4)cc3F)c2)C2CCS(=O)(=O)C2)c1,KRZXWQIYGMHCFH-UHFFFAOYSA-N
-rxn:4:184093:224408,CC(C)c1ccc(CN(C(=O)c2ccc(-c3cc(C(F)(F)F)nn3C(=O)OC(C)(C)C)cc2)C2CCS(=O)(=O)C2)cc1,WZLIEUKOLOEUMG-UHFFFAOYSA-N
-rxn:4:184219:222509,Cc1ccc(Cl)cc1NC(=O)c1cc(F)cc(-c2cc3cc(O[Si](C)(C)C(C)(C)C)ccc3n2C(=O)OC(C)(C)C)c1,KQGKSCPSFPUUJA-UHFFFAOYSA-N
-rxn:4:184385:223947,CCN(C(=O)OC(C)(C)C)c1ccc(-c2cc(C#N)cc(C(F)F)c2CC(=O)OC)c(F)c1,IHFFUFGTQLHOPF-UHFFFAOYSA-N
-rxn:4:184553:222545,COC(=O)C(C(=O)OC)c1ccc(-c2ccc(C(C)(C)NC(=O)OC(C)(C)C)cc2)cn1,CRZHTHKDHQDIJT-UHFFFAOYSA-N
-rxn:4:184688:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)ccc2OCC(=O)N(C)C)cc1,RHANOCXSQPKZHJ-UHFFFAOYSA-N
-rxn:4:184825:223569,CCN(CC)C(=O)c1ccc(-c2cnc3c(ccn3[Si](C(C)C)(C(C)C)C(C)C)c2F)cc1OC,TXIPPNGOTGNEAV-UHFFFAOYSA-N
-rxn:4:184828:223557,CCN(CC)c1ccc(C(=O)OC)cc1-c1c(F)ccc2c1ccn2[Si](C(C)C)(C(C)C)C(C)C,NSQWTLFLRSWEQK-UHFFFAOYSA-N
-rxn:4:184889:225219,COC(=O)C1CN(Cc2ccc(-c3cnc(N4CCCCC4C)cc3F)cc2C(F)(F)F)C1,JNAMWMYVOXEOHX-UHFFFAOYSA-N
-rxn:4:184890:222740,COC(=O)C1CN(Cc2cc(-c3cc(C(C)C)nc(C4CCCNC4)c3)ccc2C(F)(F)F)C1,PLIYTRGXZJLPDI-UHFFFAOYSA-N
-rxn:4:184891:224826,CCOC(=O)c1cc(-c2cc(C(F)(F)F)ccc2OCC(=O)N2CCCC2)cnc1C(F)(F)F,WLAAJYOVYDZBPP-UHFFFAOYSA-N
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-rxn:4:184964:224970,CN(C(=O)OC(C)(C)C)c1cc(-c2ccc(S[Si](C)(C)C(C)(C)C)cc2)cc(C(F)(F)F)c1,ZDYPGWXHMKNJOH-UHFFFAOYSA-N
-rxn:4:184994:225936,CC(C)c1ncc(C(F)(F)F)cc1-c1cccc(OCC(=O)N(C)C2CCS(=O)(=O)C2)c1,MQLNVCVXWQUWDH-UHFFFAOYSA-N
-rxn:4:185004:224250,CC1CCCCN1C(=O)c1ccc(F)c(-c2cc(C(F)(F)F)ccc2OCC(=O)N2CCCCC2)c1,PEJGIVMWUDNXPO-UHFFFAOYSA-N
-rxn:4:185022:224291,Fc1cc(-c2cccc(F)c2OCCCN2CCCCC2)ccc1OCCN1CCOCC1,AKJHDZHTKWOADR-UHFFFAOYSA-N
-rxn:4:185028:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2ccccc2SC2CN(C(=O)OC(C)(C)C)C2)cc1,TWLRTSLXXBLXFP-UHFFFAOYSA-N
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-rxn:4:185079:222679,COc1ccc(NC(=O)OC(C)(C)C)cc1-c1ccc(N(C(=O)OC(C)(C)C)C(C)C)cc1,ZHTBMPWTAJBSSV-UHFFFAOYSA-N
-rxn:4:185079:222725,CCNS(=O)(=O)c1ccc(-c2ccc(N(C(=O)OC(C)(C)C)C(C)C)cc2)c(C(F)(F)F)c1,CFCDHKJCOFNUOE-UHFFFAOYSA-N
-rxn:4:185081:224720,Cc1ccc(-c2cn(C(=O)OC(C)(C)C)nc2C2CC2)cc1CN(C)C(=O)OC(C)(C)C,CZRLBNNULFSGAJ-UHFFFAOYSA-N
-rxn:4:185095:222824,COc1cccc(C(=O)N(C(C)C)C(C)C)c1-c1cc(S(=O)(=O)NC(C)C)c(C)cc1F,QSWCVLMBMBTQAJ-UHFFFAOYSA-N
-rxn:4:185097:223952,COC1CCN(CCOc2c(F)cc(Cl)cc2-c2ccc(OCCN3CCN(C)CC3)c(Cl)c2)CC1,NWTQQNMPZMQDKR-UHFFFAOYSA-N
-rxn:4:185097:224591,COC1CCN(CCOc2c(F)cc(Cl)cc2-c2ccc(Cl)c(CN3CCC(C)CC3)c2)CC1,MRBNILZXQMBWNE-UHFFFAOYSA-N
-rxn:4:185102:226777,Cc1cc(-c2ccc(C(=O)N(CC(C)C)C3CCS(=O)(=O)C3)o2)cc(OC(F)F)c1F,WLCQXUVUTQOINB-UHFFFAOYSA-N
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-rxn:4:185323:223999,CC1CCN(S(=O)(=O)c2ccc(F)c(-c3ccc(OC4CCN(C(=O)OC(C)(C)C)CC4)c(F)c3)c2)CC1,BVIKJIJUQSFPHT-UHFFFAOYSA-N
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-rxn:4:185354:224864,CC(C)N(Cc1ccc(-c2ccccc2C(=O)C2CCN(C(=O)OC(C)(C)C)CC2)cc1)C(C)C,BAULQQLTITYYOF-UHFFFAOYSA-N
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-rxn:4:185385:228389,Cc1ccc([N+](=O)[O-])c(-c2cc(C3CCN(C(=O)OC(C)(C)C)CC3)ccc2C(F)(F)F)c1,WWSQKYPCIUTFCX-UHFFFAOYSA-N
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-rxn:4:185402:224704,CCCOc1ccc(-c2cc(F)c(F)c(N3CCC(C)CC3)c2)cc1S(=O)(=O)N1CC(C)CC(C)C1,XRLRLUSXZHQWOC-UHFFFAOYSA-N
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-rxn:4:185468:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2cc(OC(F)(F)F)cc3ccn(C(=O)OC(C)(C)C)c23)cc1,PKCKNEYAEKGEBI-UHFFFAOYSA-N
-rxn:4:185468:222843,Cc1ccc(-c2cc(OC(F)(F)F)cc3ccn(C(=O)OC(C)(C)C)c23)c(C(=O)NC(C)(C)C)c1,RJADJYGGXOIMJN-UHFFFAOYSA-N
-rxn:4:185493:222647,COC(=O)c1ccc2c(-c3cc(C)c(NC(=O)OC(C)(C)C)cc3C)cn(C(=O)OC(C)(C)C)c2c1,XSNHDPCHCABZAC-UHFFFAOYSA-N
-rxn:4:185516:223761,Cc1cccc2c1N(CCCOc1ccc(-c3ccc(C4CCCN4C(=O)OC(C)(C)C)cc3)cc1)C(=O)C2=O,HRWCVAJMCROMEN-UHFFFAOYSA-N
-rxn:4:185567:223538,CS(=O)(=O)C1CC2CCC(C1)N2C(=O)CCc1ccccc1-c1ccnc2c1cc(C(F)F)n2S(=O)(=O)c1ccccc1,NRSMNJKKVKRJGW-UHFFFAOYSA-N
-rxn:4:185586:223699,COc1ccc(OC)c(C2SCCN2C(=O)c2cc3cc(-c4ccc(S(=O)(=O)N5CCOCC5)cc4C(F)(F)F)ccc3oc2=O)c1,GRVCDQDYRZLHLC-UHFFFAOYSA-N
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-rxn:4:186039:223822,CCOC(=O)c1cc(-c2cc(C(F)(F)F)ccc2C(=O)OCC(C)(C)C)nc(C(F)(F)F)c1,ZAPJKXONTIKBAV-UHFFFAOYSA-N
-rxn:4:186123:223947,CCN(C(=O)OC(C)(C)C)c1ccc(-c2cc(OC(F)F)cc(C3(C#N)CC3)c2)c(F)c1,KNTZBEFZBSJBIF-UHFFFAOYSA-N
-rxn:4:186444:223527,CN(C)C(=O)CCc1ccc(-c2ccc(F)cc2CN2CCN(C(=O)OC(C)(C)C)CC2)cc1,XKPRBSUTRHTDEW-UHFFFAOYSA-N
-rxn:4:186684:223581,COC(=O)c1cccc2cc(-c3ccc(OCC(=O)N4CCCC4)cc3)n(C(=O)OC(C)(C)C)c12,BKWWEFHKTVFBJX-UHFFFAOYSA-N
-rxn:4:186690:223898,COc1c(C(=O)OC(C)(C)C)cncc1-c1ccc(N(C(=O)OC(C)(C)C)C(C)C)cc1,DKNSBRGQXCAYRZ-UHFFFAOYSA-N
-rxn:4:186742:225266,CCCOc1ccc(C(F)(F)F)cc1-c1cc(OC(F)(F)F)cc(C(=O)N2CCCC2)c1,RGHJYUKCODODRR-UHFFFAOYSA-N
-rxn:4:186876:223867,CC1CCN(CCCOc2cccc(-c3ccc(F)cc3OCCN3CCOCC3)c2)CC1,UWJSQNKDJIQEEA-UHFFFAOYSA-N
-rxn:4:186973:224502,CN1CCCCC1COc1cccc(-c2ccc(OCC(=O)N3CCCCC3)c(Cl)c2)c1,WYVTZJRTWWZMEV-UHFFFAOYSA-N
-rxn:4:186975:223992,Cc1ccc(-c2ccc(Cl)c(OCC(=O)N3CCCCC3)c2)cc1S(=O)(=O)N1CCN(C)CC1,SHXLJALVQIOOFY-UHFFFAOYSA-N
-rxn:4:186977:223897,Cc1ccc(-c2ccc(OCCN3CCC(=O)CC3)c(F)c2)cc1OCCCN1CCOCC1,FAPKXBHAXLUTOO-UHFFFAOYSA-N
-rxn:4:186985:223559,CCN(Cc1cccc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)c1)c1cc(Cl)ccc1F,QMOQVJNOPXFYOB-UHFFFAOYSA-N
-rxn:4:187000:224397,COC(=O)C1CCN(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCC(=O)CC4)cc3)cc2)C1,JVUWXMZYSSTHPC-UHFFFAOYSA-N
-rxn:4:187056:222827,O=[N+]([O-])c1ccc(-c2cc(F)c(S(=O)(=O)NC3CC3)cc2F)cc1OCC1CCCCC1,QKMPRDGKCMOMNM-UHFFFAOYSA-N
-rxn:4:187082:222944,O=[N+]([O-])c1c(F)cc(-c2ccc(S(=O)(=O)NC3CC3)cc2F)cc1OCC1CCCCC1,KZUXQNRGLMSOAU-UHFFFAOYSA-N
-rxn:4:187187:224285,COC(=O)c1cc(-c2ccc(OCCN3CCOCC3)cc2F)ccc1CN1CCCCC1,DZLGMHAUBZWKIC-UHFFFAOYSA-N
-rxn:4:187200:223810,COC(=O)c1ccc(-c2cc(C)c(S(=O)(=O)N3CCC(C)CC3)c(C)c2)c(CN2CCCCC2)c1,CXCYXSAGOFYBTH-UHFFFAOYSA-N
-rxn:4:187276:228266,CSc1c(-c2cc(C(F)(F)F)cc(S(=O)(=O)N3CCC(C(F)(F)F)CC3)c2)ccc(C)c1Cl,FCQDQHWKQUYQDT-UHFFFAOYSA-N
-rxn:4:187286:224059,COc1c(-c2ccc(C)cc2C(=O)N(C(C)C)C(C)C)cc(C(C)(C)C)cc1C(C)(C)C,RFYTWNLJYJBWTC-UHFFFAOYSA-N
-rxn:4:187286:224174,CCN(C(=O)OC(C)(C)C)c1ccc(-c2ccc(C)cc2C(=O)N(C(C)C)C(C)C)cc1,HVRRKCGYLLMPCR-UHFFFAOYSA-N
-rxn:4:187299:223941,Cc1ccc(C(=O)N(C(C)C)C(C)C)cc1-c1ccc2c(c1)CC(=O)N2C(=O)OC(C)(C)C,UXWJFLPBUDSEHV-UHFFFAOYSA-N
-rxn:4:187313:222700,CCOc1ccc(-c2ccc(C(F)(F)F)cc2C2CCCNC2)cc1S(=O)(=O)N1CCCCC1,JKLKUCQPCTUDPB-UHFFFAOYSA-N
-rxn:4:187318:224619,COC(=O)c1ccc(-c2ccc(OCCN3CCCC3)c(F)c2)c(CN2CCOC(C)C2)c1,QABDHCYOBAYGFY-UHFFFAOYSA-N
-rxn:4:187353:223896,COc1cccc(-c2coc([Si](C(C)C)(C(C)C)C(C)C)n2)c1C(=O)N(C(C)C)C(C)C,HCYXRPAUCGDVIR-UHFFFAOYSA-N
-rxn:4:187374:225827,CC1CCN(C(=O)CS(=O)(=O)c2cccc(-c3ccnc(N4CCN(C)CC4)c3)c2)CC1,LKPXSJFWUHAPOY-UHFFFAOYSA-N
-rxn:4:187412:224306,CC(C)(C)OC(=O)N1CCCC1c1ccc(-c2ccc(C(F)(F)F)cc2OC2CCCC2)cc1,RDOJVONJDJOFNQ-UHFFFAOYSA-N
-rxn:4:187420:224188,Cc1cc(C2CN(C(=O)OC(C)(C)C)C2)ccc1-c1ccc(C(=O)N(C(C)C)C(C)C)cc1Cl,YTCJVPJUFBYRSV-UHFFFAOYSA-N
-rxn:4:187429:224588,COC(=O)c1cc(CN2CCC(C)CC2)cc(-c2cc(F)cc(CN3CCC(C)CC3)c2)c1,KLFYFTBJRSTVAI-UHFFFAOYSA-N
-rxn:4:187430:224884,COC(=O)c1cc(CN2CCCC(C)C2)cc(-c2cccc(CN3CCC(C)CC3)c2)c1,CMPCLAJSGZFEMM-UHFFFAOYSA-N
-rxn:4:187432:223754,COC(=O)c1ccc(-c2ccc(OCCCN3CCC(C)CC3)c(Cl)c2)c(CN2CCC(C)CC2)c1,QABCFCPJYGILBX-UHFFFAOYSA-N
-rxn:4:187433:224252,COC(=O)c1ccc(-c2ccc(C(=O)N3CCCC(C)C3)c(F)c2)c(CN2CCCC(C)C2)c1,GMBJNOQSDZQHOH-UHFFFAOYSA-N
-rxn:4:187437:224614,Cc1ccc(C2CN(C(=O)OC(C)(C)C)C2)c(-c2ccc(N(C)C(=O)OC(C)(C)C)cc2)c1,JHRHPKARBAIHGG-UHFFFAOYSA-N
-rxn:4:187499:223813,COc1cc(-c2ccc(CN3CCC4(CC3)OCCO4)c(F)c2)cc(OC)c1C(=O)N1CCCC(C)C1,AUWZFIJVVGVQPE-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:4:187569:224078,Cc1ccc(OCC(=O)N2C(C)CCCC2C)c(-c2cccc3c2ccn3[Si](C)(C)C(C)(C)C)c1,CDBVTYMWCWNQMK-UHFFFAOYSA-N
-rxn:4:187587:226511,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3cc(Cl)cnc3OCC3CC3)cc2Cl)CC1,GHJLKDCPHKFGFN-UHFFFAOYSA-N
-rxn:4:187589:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2cc(C3CCCN(C(=O)OC(C)(C)C)C3)ccc2F)cc1,WDIQXGPLXOOJFW-UHFFFAOYSA-N
-rxn:4:187589:224885,CC1CCN(Cc2ccccc2-c2cc(C3CCCN(C(=O)OC(C)(C)C)C3)ccc2F)CC1,WIHFGRAIOHSWFV-UHFFFAOYSA-N
-rxn:4:187589:224904,CC(C)(C)OC(=O)N1CCCC(c2ccc(F)c(-c3ccc(C(=O)C4CCCCC4)cc3)c2)C1,IWOIQBXXFPOFTM-UHFFFAOYSA-N
-rxn:4:187648:223105,CNS(=O)(=O)c1cc(-c2ccc(C3(C)CCCN(C(=O)OC(C)(C)C)C3=O)cc2)c(F)cc1C,HPPTUPPTNVRMTB-UHFFFAOYSA-N
-rxn:4:187660:225093,CCCOc1c(Cl)cc(-c2ccc(C)cc2C2CCCN(C(=O)OC(C)(C)C)C2)cc1OCC,QEBHHDSPBWXMRV-UHFFFAOYSA-N
-rxn:4:187665:223883,CC1CN(C(=O)OC(C)(C)C)CCC1c1cccc(-c2ccc3c(c2)CCCN3C(=O)OC(C)(C)C)c1,VDKOGFYWEWBTON-UHFFFAOYSA-N
-rxn:4:187681:223556,Cc1cc(-c2ccc3c(c2)c2ccccc2n3C(=O)OC(C)(C)C)cc(C2CCN(C(=O)OC(C)(C)C)CC2C)c1,BEQNTLQVQPSYAX-UHFFFAOYSA-N
-rxn:4:187918:224270,COc1cc(-c2cn(C(=O)OC(C)(C)C)c3ncccc23)cc2c1OCCN(C(=O)OC(C)(C)C)C2,LXNVEPKKGYIFTR-UHFFFAOYSA-N
-rxn:4:187947:223891,CCN(C(=O)c1cc2cc(-c3c(F)ccc4c3ccn4[Si](C)(C)C(C)(C)C)ccc2oc1=O)C1CCCCC1,ZXEPJBDWAONEMQ-UHFFFAOYSA-N
-rxn:4:187971:224174,CCN(C(=O)OC(C)(C)C)c1ccc(-c2ccc3ccn([Si](C(C)C)(C(C)C)C(C)C)c3c2)cc1,CLGKIGLCCUCEFO-UHFFFAOYSA-N
-rxn:4:188099:223559,COC(=O)c1nc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)sc1C(F)(F)F,MIKSUOTVJQZRSI-UHFFFAOYSA-N
-rxn:4:188467:222522,COC(=O)c1cc([N+](=O)[O-])cc(F)c1-c1ccc(OC)c(S(=O)(=O)N2CCC(O)CC2)c1,HYOKBKRDZADATK-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:4:189922:224089,COC(=O)c1cnc(C2CCOCC2)cc1-c1ccc(OCCN2CCC(C)CC2)cc1,ZJUQQPJPUCEJTC-UHFFFAOYSA-N
-rxn:4:189935:222628,COC(=O)c1cc(-c2cc(C3CCC3)nc(C3CCCNC3)c2)ccc1N1CCOCC1,HHWFHNHFZNIZIW-UHFFFAOYSA-N
-rxn:4:189973:223844,O=S(=O)(c1ccc(-c2cc(C(F)(F)F)cc(S(=O)(=O)N3CCOCC3)c2)c(C(F)(F)F)c1)N1CCCC1,XGXBEJKYQSDQKR-UHFFFAOYSA-N
-rxn:4:190214:222718,COc1cc(S(=O)(=O)N2CCCCC2)ccc1-c1cc(S(=O)(=O)N2CCNCC2)ccc1C,QTYGHHGZDCLNPJ-UHFFFAOYSA-N
-rxn:4:190276:225992,CC(C)Cn1cc(-c2ccc(C(=O)N(C)C3(C)CCS(=O)(=O)C3)cc2)c(C(F)(F)F)n1,PHOQSECXACYGHW-UHFFFAOYSA-N
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-rxn:4:202008:222542,CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1ccc(C)c(OCCCN2CCNCC2)c1,PMOBJWHYCFHXSS-UHFFFAOYSA-N
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-rxn:4:212526:223840,COc1ccc(-c2cc([N+](=O)[O-])ccc2OCCN2CCC(C#N)CC2)cc1S(=O)(=O)N1CCN(C)CC1,BYJPWMOLEHCHFY-UHFFFAOYSA-N
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-rxn:4:212577:222707,Cc1cccc(OCC(=O)N2CC(Cn3cc(-c4ccnc(CNC(=O)OC(C)(C)C)c4F)cn3)C2)c1,SXNOGKYSHBTSJZ-UHFFFAOYSA-N
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-rxn:4:212593:223498,CN(C(=O)c1ccc(-c2ccc(C(=O)N3CCCN(C(=O)OC(C)(C)C)CC3)cc2)nc1)C1CN(C(=O)OC(C)(C)C)C1,OCQWRARKKDHYOP-UHFFFAOYSA-N
-rxn:4:212609:223884,CC(C)(C)OC(=O)N1CCc2cc(-c3nccn3CC3CCN(C(=O)OCc4ccccc4)CC3)ccc2C1,SOVLJCGRJPTPDX-UHFFFAOYSA-N
-rxn:4:212630:225806,O=C(c1cncc(-c2cnc(OC3CCCC3)cc2F)c1)N1CCCC(COc2ncccc2C(F)(F)F)C1,CBWZTUDSFCCQGV-UHFFFAOYSA-N
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-rxn:4:212653:226714,COC(=O)c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)c(-c2ccnn2C(=O)OC(C)(C)C)n1,ZRXJLYJVRBEXQZ-UHFFFAOYSA-N
-rxn:4:212691:228882,COc1ncc(-c2ccc(C(=O)N(C)C3CCN(C(=O)OC(C)(C)C)CC3)cn2)c(C)n1,GUPNSMMEIPEVAN-UHFFFAOYSA-N
-rxn:4:212740:225093,CCCOc1c(Cl)cc(-c2cc(CN3CCCCC3)cc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1OCC,PMXPERVINHHAMA-UHFFFAOYSA-N
-rxn:4:212744:222787,CC(C)(C)OC(=O)Nc1ccc(-c2cc(CN3CCC(F)(F)CC3)cc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)c(Cl)c1,FREMLCALURUXSF-UHFFFAOYSA-N
-rxn:4:212744:223646,CC(C)(C)OC(=O)N1CCN(c2cc(CN3CCC(F)(F)CC3)cc(-c3ccc(OC4CCN(C(=O)OC(C)(C)C)C4)cc3)c2)CC1,JRTJFIJFYBZBBN-UHFFFAOYSA-N
-rxn:4:212768:223123,CCOC(=O)c1nc(-c2ccc(NC(=O)C(C)C)cc2)n2c1CN(C(=O)OC(C)(C)C)CC2,BSBJGBXQTJASED-UHFFFAOYSA-N
-rxn:4:212771:223944,Cc1c(Cl)cc2c(cnn2C2CCCCO2)c1-c1ccc2nc(N(CCN(C)C)C(=O)C3=COCCO3)sc2c1,YAMICPDVKZPLHP-UHFFFAOYSA-N
-rxn:4:212816:224817,O=C(CCc1c[nH]c2ccccc12)N1CCN(S(=O)(=O)c2ccc(-c3ccccc3S(=O)(=O)N3CCOCC3)cc2)CC1,AOBBLOQNTGKGHV-UHFFFAOYSA-N
-rxn:4:212823:225674,COc1ccc(S(=O)(=O)N2CCN(C(=O)Cn3ccc4cc(-c5cnc(C6CCCCC6)cc5F)ccc43)CC2)cc1,FCVIATPEFFIGQJ-UHFFFAOYSA-N
-rxn:4:212839:223542,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4ccc(OC(F)(F)F)c(S(=O)(=O)N5CCN(C)CC5)c4)ccn23)CC1,SEHWQNPGHDNYJG-UHFFFAOYSA-N
-rxn:4:212846:223693,CC(=O)N1CCc2c(sc3nc(SCc4ccc(-c5cc(O[Si](C)(C)C(C)(C)C)cc(C(F)(F)F)c5F)cc4)n(Cc4ccco4)c(=O)c23)C1,OZNJXMFYRCLPMW-UHFFFAOYSA-N
-rxn:4:212923:225829,CC1CCN(c2ncc(-c3ccc(C4(C#N)CN(C(=O)OC(C)(C)C)C4)nc3)cn2)CC1,NQKSHIYCJRXPFK-UHFFFAOYSA-N
-rxn:4:212938:223945,CCC(=O)N1CCCC(COc2ncc(-c3ccc(OCCCN4CCOCC4)c(F)c3)cn2)C1,KQTZSDXVXNOWQB-UHFFFAOYSA-N
-rxn:4:212938:224680,CCC(=O)N1CCCC(COc2ncc(-c3cc(C(=O)N4CCCCC4)ccc3F)cn2)C1,IJHSUYYAYVZQCE-UHFFFAOYSA-N
-rxn:4:212988:223492,Cc1cc(-c2nc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cs2)ccc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,KBIQUHYVHVRCGT-UHFFFAOYSA-N
-rxn:4:212988:226511,CC(C)(C)OC(=O)N1CCN(C(=O)c2csc(-c3cc(Cl)cnc3OCC3CC3)n2)CC1,SYZJFCHLKFCJNJ-UHFFFAOYSA-N
-rxn:4:213011:225979,CC(C)C(=O)N1CCCC(COc2ncc(-c3cnc(N4CCOCC4)c(Cl)c3)cn2)C1,FPQBIZSIAHPXJQ-UHFFFAOYSA-N
-rxn:4:213061:224321,CC1CCN(S(=O)(=O)c2cccc(-c3ccc(S(=O)(=O)N4CCC(Oc5ncccc5C#N)CC4)cc3)c2)CC1,XOHQXVDILGGZFC-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:4:213076:224329,CC(C)N(C(C)C)S(=O)(=O)c1ccc(-n2cc(-c3ccc(C(=O)N4CCC(=O)CC4)c(F)c3)cn2)cc1,ZLOJZCXHFKGPJF-UHFFFAOYSA-N
-rxn:4:213076:224834,CC(C)N(C(C)C)S(=O)(=O)c1ccc(-n2cc(-c3cn(S(=O)(=O)N(C)C)nc3C(F)(F)F)cn2)cc1,ABOMEVYZNOKWSN-UHFFFAOYSA-N
-rxn:4:213078:228182,CC(C)(C)OC(=O)N1CCC(n2ncc(-c3cccc(CC(F)F)c3)c2C(F)F)CC1,CGVOTFXDSFAAFV-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:4:213096:224277,CC(C)(C)OC(=O)N1CCN(c2cc(-c3ccnc4c3ccn4C(=O)OC(C)(C)C)ccc2C#N)CC1,IPHWRPRGLSUTBZ-UHFFFAOYSA-N
-rxn:4:213112:222701,Cc1ccc(OCC2CCN(S(=O)(=O)c3ccccc3-c3cc(C4CCCNC4)cc(C(F)(F)F)c3)C2)nn1,BBOAYFXUEPSNCP-UHFFFAOYSA-N
-rxn:4:213112:224328,Cc1ccc(OCC2CCN(S(=O)(=O)c3ccccc3-c3cccc(S(=O)(=O)N4CCCCC4C)c3)C2)nn1,FNZMMKRPUGUBEU-UHFFFAOYSA-N
-rxn:4:213132:223812,CC(C)(C)C(=O)N1CCCC(COc2ncc(-c3cc(F)cc(CN4CCC5(CC4)OCCO5)c3)cn2)C1,ZKUDQPXPSVRGIG-UHFFFAOYSA-N
-rxn:4:213132:225877,CC(C)(C)C(=O)N1CCCC(COc2ncc(-c3ccc(Cl)cc3N3CCOCC3)cn2)C1,HRZRXNVNYPZMML-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:4:213147:225702,COC(=O)n1c(-c2cncc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)cc2ccccc21,IWMBTYFASPDWMA-UHFFFAOYSA-N
-rxn:4:213162:224829,COC(=O)c1ccc(-c2cnc(OC3CCN(S(=O)(=O)c4ccc(OC)c(F)c4)CC3)nc2)cc1OC(F)(F)F,SYWUPAFGLKLSGK-UHFFFAOYSA-N
-rxn:4:213182:223812,Cc1ccc(CC(=O)N2CCC(Oc3ncc(-c4cc(F)cc(CN5CCC6(CC5)OCCO6)c4)cn3)CC2)cc1,YDPRIWDQOUAFTI-UHFFFAOYSA-N
-rxn:4:213184:222546,Cc1cnc(OC2CCN(C(=O)Cc3ccc(F)cc3-c3ccc(OCCNC4CCCCC4)c(F)c3)CC2)nc1,KYJDCMGLVPOFAM-UHFFFAOYSA-N
-rxn:4:213201:225048,Cc1cc(OCC2CCN(S(=O)(=O)c3ccccc3-c3ccc(N4CCN(C)CC4)cc3C)CC2)ncn1,YAHISUSUMAAZQX-UHFFFAOYSA-N
-rxn:4:213202:224198,CCN1CCN(Cc2ccc(-c3ccccc3S(=O)(=O)N3CCC(COc4ccc(C)nn4)CC3)c(F)c2)CC1,BRKFNCFXLQSJOG-UHFFFAOYSA-N
-rxn:4:213205:222622,CCC(C)c1cc(-c2ccc(S(=O)(=O)N3CCCC(COc4ncc(C)cn4)C3)cc2)cc(C2CCCNC2)n1,VYPJXEJTDONXTN-UHFFFAOYSA-N
-rxn:4:213236:222778,COc1ccc(S(=O)(=O)N2CCCC(Oc3ncc(-c4cncc(CNC(=O)OC(C)(C)C)c4)cn3)C2)cc1C,AYJBBBWXHCAWNN-UHFFFAOYSA-N
-rxn:4:213251:223840,COc1ccc(-c2cc(S(=O)(=O)N3CCCCC3)cnc2N(C)Cc2ccccc2)cc1S(=O)(=O)N1CCN(C)CC1,XCUIHPYFFYAGCS-UHFFFAOYSA-N
-rxn:4:213258:223529,Cc1nn(CC2CCCN(C(=O)OC(C)(C)C)C2)c(C)c1-c1ccc(CN2CCN(C(=O)OC(C)(C)C)CC2)c(F)c1,PIMLKUBVHAGAMA-UHFFFAOYSA-N
-rxn:4:213264:222634,O=C(Cc1ccc(-c2ccc(OCCNC3CCCC3)c(F)c2)cc1)N1CCC(n2nc(C3CC3)ccc2=O)CC1,KISBIMMNZLDJAT-UHFFFAOYSA-N
-rxn:4:213268:224486,CC(C)N(C(=O)c1cccc(-c2ccc(-c3c[nH]c([C@@H]4C[C@H](C)CN4C(=O)OC(C)(C)C)n3)cc2)c1)C(C)C,ZJJRSUUREKFVIQ-DWACAAAGSA-N
-rxn:4:213279:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3ccc(C4=NN(S(=O)(=O)c5ccc(C)cc5)C(c5cccc([N+](=O)[O-])c5)C4)cc3)c2)CC1,HHEDMGDXFSHWBE-UHFFFAOYSA-N
-rxn:4:213289:223575,CC(C)(C)OC(=O)N1CCC(c2nc(C(C)(C)C)ncc2-c2ccccc2CN2CCN(C(=O)OC(C)(C)C)CC2)CC1,QLMHPIGJSURNOP-UHFFFAOYSA-N
-rxn:4:213320:225926,COC(=O)c1nc(-c2ccc(S(=O)(=O)N3CCC3)cc2)n2c1CN(C(=O)OC(C)(C)C)CC2,JCCWXUZTQDIFKS-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:4:213604:222541,CCS(=O)(=O)N1CCC(Oc2ncc(-c3ccc(C(=O)NCCN4CCCCC4)cc3)cn2)C1,HBSLPJITLBOSJV-UHFFFAOYSA-N
-rxn:4:213655:224022,c1cc(C23CC4CC(CC(C4)C2)C3)ccc1-c1cnn(CC2CN(CC3CCC3)C2)c1,YDHDBMJJXFOMIA-UHFFFAOYSA-N
-rxn:4:213720:223575,CC(C)(C)OC(=O)N1CCN(Cc2ccccc2-c2ccnn2C2CCN(C(=O)OC(C)(C)C)C2)CC1,QMAWTXULGGMWMW-UHFFFAOYSA-N
-rxn:4:213739:223489,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCC(Oc5ncc(Cl)cn5)C4)cc3)cc2)CC1,OHOBELRDQUNMBM-UHFFFAOYSA-N
-rxn:4:213759:223935,CC(C)(C)OC(=O)N1CCCC1c1cnc(-c2cc3cccc(F)c3n2C(=O)OC(C)(C)C)cn1,GCXLPCPMUMWTIQ-UHFFFAOYSA-N
-rxn:4:213778:224377,CCN1CCN(c2ccc(-c3ccc(S(=O)(=O)N4CCN(C)CC4)cc3)c(C(=O)OC)n2)CC1,BJOFKSGCHRHCIN-UHFFFAOYSA-N
-rxn:4:213793:223922,Cc1c(S(=O)(=O)c2ccc(-c3ccc(Cl)c(C(=O)N(C)C4CCCCC4)c3)cc2)nnn1-c1cc(C(F)(F)F)ccc1Cl,XFBZQMOTKKYBLD-UHFFFAOYSA-N
-rxn:4:213799:225977,CC(C)(C)OC(=O)N1CCOC(c2cc(-c3cc(Cl)cnc3N3CCOCC3)ncn2)C1,RWWUMSINMPRJDU-UHFFFAOYSA-N
-rxn:4:213800:224718,CC(C)(C)OC(=O)N1CCOCC1c1cc(-c2ccc(OCCN3CCOCC3)nc2)ncn1,GEMBEUDPGLKGCE-UHFFFAOYSA-N
-rxn:4:213800:225877,CC(C)(C)OC(=O)N1CCOCC1c1cc(-c2ccc(Cl)cc2N2CCOCC2)ncn1,IAQBHSVDKDUFIT-UHFFFAOYSA-N
-rxn:4:213800:225979,CC(C)(C)OC(=O)N1CCOCC1c1cc(-c2cnc(N3CCOCC3)c(Cl)c2)ncn1,GOWFXJFJRAXUQZ-UHFFFAOYSA-N
-rxn:4:213801:223636,CC(C)(C)OC(=O)N1CCCC(c2ccc(-c3cncc(C4CN(C(=O)OC(C)(C)C)CCO4)n3)cc2)C1,LGLSTBNCGVOGRX-UHFFFAOYSA-N
-rxn:4:213839:222584,CC(C)(C)OC(=O)N1CCC(n2ccnc2-c2ccc(OCCCN3CCNCC3)c(F)c2)CC1,KRQNRNGWQWOFSE-UHFFFAOYSA-N
-rxn:4:213872:222926,Cc1nc(N2CCCC(O)C2)ncc1-c1cnn(CC2CN(CC3CCCCC3)C2)c1,FKWJJEWXZMGAFJ-UHFFFAOYSA-N
-rxn:4:213874:223644,CCOC(=O)C1CCCN(C(=O)c2ccc(-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)cc2)C1,VAHOHOCSAGNBQQ-UHFFFAOYSA-N
-rxn:4:213879:223059,CC(C)(C)OC(=O)N1CCN(c2cccnc2-c2ccc(N3CCNCC3)cc2Cl)CC1,DAPMKLAITSHLLH-UHFFFAOYSA-N
-rxn:4:213880:225561,CC(C)(C)OC(=O)c1ccccc1-c1ccncc1N1CCN(C(=O)OC(C)(C)C)CC1,VGXROHUUSBYFSK-UHFFFAOYSA-N
-rxn:4:213905:223810,Cc1cc(-c2ccc(S(=O)(=O)N3CCC(Cn4ccnc4)CC3)cc2)cc(C)c1S(=O)(=O)N1CCC(C)CC1,WFENKFVTCWDWOT-UHFFFAOYSA-N
-rxn:4:213938:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3ccc(S(=O)(=O)N4CCN(c5ccc(C(F)(F)F)cn5)CC4)cc3)ccn2)CC1,FSJJCMJGAUBXOS-UHFFFAOYSA-N
-rxn:4:213938:223832,COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1-c1ccc(S(=O)(=O)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1,SORLRBYBSMUYOK-UHFFFAOYSA-N
-rxn:4:213942:224274,Cc1nn(C2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1cc2cnccc2n1C(=O)OC(C)(C)C,YDQCSQLELSMMIG-UHFFFAOYSA-N
-rxn:4:213943:222636,C[C@@H](NC(=O)OC(C)(C)C)c1ccc(-c2cn[nH]c2C2(C)CCN(C(=O)OC(C)(C)C)CC2)cc1,RQBAERWIZFJDNZ-GOSISDBHSA-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:4:213980:223528,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:4:213985:223106,Cc1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)c(-c2cnc(N3CCC(O)C3)nc2Cl)c1,ZFEDRUDIDPPYTF-UHFFFAOYSA-N
-rxn:4:213990:223939,Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1-c1ccc2c(c1)N(C(=O)OC(C)(C)C)CCO2,WKIPTFKKIIKKCR-UHFFFAOYSA-N
-rxn:4:214014:225727,CCOC(=O)c1ccc(OC)c(-c2cncc(C(=O)N3CCCSCC3CN3CCCC3)c2)c1,CPGBWANOPHVBDQ-UHFFFAOYSA-N
-rxn:4:214014:226540,CCOC(=O)c1ccc(F)c(-c2cncc(C(=O)N3CCCSCC3CN3CCCC3)c2)c1,ATMFJGNZHBMKMP-UHFFFAOYSA-N
-rxn:4:214074:228301,CCOC(=O)c1sccc1-c1ccc(S(=O)(=O)n2nc(C)c(S(=O)(=O)N3CCCC(C)C3)c2C)cc1,WJJALNOVNCENOX-UHFFFAOYSA-N
-rxn:4:214079:227377,CC(C)N1CCN(Cc2ccc(-c3cncnc3C3CCCC3)cc2N2CCCC2)CC1,MNQWAYNAYQOGHY-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:4:214179:224368,CN(C(=O)OC(C)(C)C)c1cc(-c2ccn3cnc(C4CN(C(=O)OC(C)(C)C)C4)c3c2)cnc1Cl,ISBOMDNECLYPKU-UHFFFAOYSA-N
-rxn:4:214180:223491,CC(C)(C)OC(=O)N1CCN(c2cc(-c3ccc4cc(C5CN(C(=O)OC(C)(C)C)C5)nn4c3)cc(C(F)(F)F)c2)CC1,VXEDLWZSZAJHSW-UHFFFAOYSA-N
-rxn:4:214254:224188,CC(C)N(C(=O)c1ccc(-c2cnc3c(cnn3[Si](C(C)C)(C(C)C)C(C)C)c2)c(Cl)c1)C(C)C,NFTNPAUVZPTCEP-UHFFFAOYSA-N
-rxn:4:214273:223776,CC(C)(C)OC(=O)N1CCC(n2cnc3ccc(-c4ccc5c(c4)CN(C(=O)OC(C)(C)C)CCO5)cc32)CC1,HJFYKHODYNYBDG-UHFFFAOYSA-N
-rxn:4:214308:224376,CN1CCN(S(=O)(=O)c2cccc(-c3ccc4c(c3)sc(=NC(=O)c3ccc(S(=O)(=O)N5CCCC5)cc3)n4C)c2)CC1,WYGIBKXTGOYFJG-UHFFFAOYSA-N
-rxn:4:214323:226448,O=C(Cn1ccc2ccc(-c3cnc(Cl)c(C4CCCC4)c3)cc21)N1CCN(C2CCS(=O)(=O)C2)CC1,ZMBVDPLSFZUERX-UHFFFAOYSA-N
-rxn:4:214347:225975,Cn1c(=NC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)sc2cc(-c3ccnc(N4CCOCC4)c3Cl)ccc21,KJUFEZCHKDXREA-UHFFFAOYSA-N
-rxn:4:214477:222648,Cc1cc(C)c(-c2cn(S(=O)(=O)N(C)C)nc2C(F)(F)F)cc1NC(=O)OC(C)(C)C,SDFYUURFGPGARN-UHFFFAOYSA-N
-rxn:4:214709:222693,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)NC4CCCCC4)cc3)cn2)CC1,HUTXSRQQMDBGEB-UHFFFAOYSA-N
-rxn:4:214730:222723,O=S(=O)(Nc1cccc(-c2ccc(N3CCN(S(=O)(=O)C4CC4)CC3)nc2)c1)N1CCOCC1,WFQMEBSVWAPJMS-UHFFFAOYSA-N
-rxn:4:214731:222723,O=S(=O)(Nc1cccc(-c2cccnc2N2CCN(S(=O)(=O)C3CC3)CC2)c1)N1CCOCC1,BTAUQUPWAIICSJ-UHFFFAOYSA-N
-rxn:4:214773:223970,Cc1ccc(-c2cncc(S(=O)(=O)N3CCN(C(C)C)CC3)c2)cc1S(=O)(=O)N1CCC(C)CC1,PSMPQAYMJKCPGJ-UHFFFAOYSA-N
-rxn:4:214818:223521,CC(c1cccc(-c2cnc(N3CCN(C(=O)C4CCCO4)CC3)c(Cl)c2)c1)N1CCN(C(=O)OC(C)(C)C)CC1,WFIRGAZEYNTELY-UHFFFAOYSA-N
-rxn:4:214835:226760,COC(=O)c1cc(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCOCC3)C2)cc(F)c1F,IRUGRKVWIYFLBO-UHFFFAOYSA-N
-rxn:4:214891:223894,CN1CCN(CCCOc2cccc(-c3cccc(-c4nc(C5CC(=O)N(C6CCCCC6)C5)no4)c3)c2)CC1,CKEAWKKVBMBXQK-UHFFFAOYSA-N
-rxn:4:215143:224392,Cc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1ccccc1S(=O)(=O)N1CCn2nc(C3CC3)cc2C1,QRDXMBPTHPUPSO-UHFFFAOYSA-N
-rxn:4:215216:222584,O=C(C1CCCN(c2nc3ccc(-c4ccc(OCCCN5CCNCC5)c(F)c4)cc3s2)C1)N1CCOCC1,NPXXINKNEBNUNS-UHFFFAOYSA-N
-rxn:4:215239:223287,CNS(=O)(=O)c1ccc(-c2ccc(N3OC4C(=O)N(C5CCCCC5)C(=O)C4C3c3cccnc3)cc2)cc1,XWVXMBXUXYHMEE-UHFFFAOYSA-N
-rxn:4:215239:223288,CNS(=O)(=O)c1cccc(-c2ccc(N3OC4C(=O)N(C5CCCCC5)C(=O)C4C3c3cccnc3)cc2)c1,IBYBETBVVOJWLZ-UHFFFAOYSA-N
-rxn:4:215912:224773,Cc1cc(-c2cnc(N3CCN(S(C)(=O)=O)CC3)c(Cl)c2)ccc1S(=O)(=O)N1CCCC1,WNHYLMOIJGJMKY-UHFFFAOYSA-N
-rxn:4:215943:223728,CCCCCC1CCC(c2ccc(-c3ccnc(N4CCC(N(C)C)CC4)c3)c(F)c2)CC1,VTRYQXDOWNHRQN-UHFFFAOYSA-N
-rxn:4:215947:223993,Cc1cc(-c2nc(N3CCCC3)cc(C(C)(C)C)n2)ccc1S(=O)(=O)N1CCN(C)CC1,DNQZGONUXHDAFO-UHFFFAOYSA-N
-rxn:4:217204:223832,COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1-c1cc(N2CCC(C)CC2)nc(C)n1,CLOAKHDKOQUBSC-UHFFFAOYSA-N
-rxn:4:217215:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3cnc(N4CCC(C)CC4)nc3C)c2)CC1,GVVMVNRVPFGYFH-UHFFFAOYSA-N
-rxn:4:218656:225875,COc1cc(=O)n(C)cc1C(=O)N1CCCC(COc2ncc(-c3ccc(N4CCOCC4)cc3Cl)cn2)C1,MPKOKOSUIPSIHJ-UHFFFAOYSA-N
-rxn:4:218711:223536,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cc([N+](=O)[O-])ccc3N3CCC(N4CCN(C(=O)OC(C)(C)C)CC4)CC3)cc(F)c2F)CC1,TZAKTCUHWALWIU-UHFFFAOYSA-N
-rxn:4:218917:225803,CC(C)(C)OC(=O)N1CCN(C(=O)c2ncc(-c3ccnc(OC4CCOCC4)c3)cn2)CC1,YGUDWDDZMQCTMI-UHFFFAOYSA-N
-rxn:4:218918:223894,COc1cc(N2CCN(C(=O)c3ccc(-c4cccc(OCCCN5CCN(C)CC5)c4)o3)CC2)nc(OC)n1,NQMFKPGXYOKLQE-UHFFFAOYSA-N
-rxn:4:218971:223894,Cc1nc(C)c(C(=O)N2CCC(COc3ncc(-c4cccc(OCCCN5CCN(C)CC5)c4)cn3)CC2)s1,JLNPQLVKABZIPH-UHFFFAOYSA-N
-rxn:4:218972:225172,Cc1nc(C)c(C(=O)N2CCCC(COc3ncc(-c4cc(CN5CCOCC5)ccc4F)cn3)C2)s1,STDHMHJTVKEVQS-UHFFFAOYSA-N
-rxn:4:218991:224277,Cn1cc(-c2ccnc3c2ccn3C(=O)OC(C)(C)C)c(CN2CCN(C(=O)OC(C)(C)C)CC2)n1,WDIZVNUQCANUAC-UHFFFAOYSA-N
-rxn:4:219048:222956,Cc1ccc(-c2ccc(S(=O)(=O)N3CCC(N(c4ccncn4)C4CC4)CC3)cc2)c(C2CCCNC2)c1,DNQSUYSXJUXIKW-UHFFFAOYSA-N
-rxn:4:219048:223697,O=S(=O)(c1ccc(-c2ccc(S(=O)(=O)N3CCC(N(c4ccncn4)C4CC4)CC3)cc2)c(C(F)(F)F)c1)N1CCCCC1,DYYAPMKZEGABRF-UHFFFAOYSA-N
-rxn:4:219175:226540,CCOC(=O)c1ccc(F)c(-c2ccc(-c3cc(C(F)(F)F)n4nc(C(=O)N(C)C5CCCCC5)cc4n3)cc2)c1,ZVSOXDKZDIUVIG-UHFFFAOYSA-N
-rxn:4:219242:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2cnnn2C2CN(C(=O)OC(C)(C)C)C2)cc1,GYKTXAKNEMOPHM-UHFFFAOYSA-N
-rxn:4:219292:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cnc(OC4CCN(C(=O)c5ccccn5)C4)nc3)ccn2)CC1,RXCZBBCQWFGWAK-UHFFFAOYSA-N
-rxn:4:219320:223951,CN1CCN(CCOc2ccc(-c3cnccc3OC3CCN(c4nccc(C(F)(F)F)n4)C3)cc2F)CC1,QDGSIXFUNDKPSF-UHFFFAOYSA-N
-rxn:4:219353:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3cnc(OC4CCN(S(=O)(=O)N(C)C)CC4)nc3)cc2)CC1,UWIQLFKZTOICPJ-HZCBDIJESA-N
-rxn:4:219388:224755,O=C(c1ccc(F)c(-c2ccc(C(=O)N3CCCN(S(=O)(=O)c4c[nH]cn4)CC3)o2)c1)N1CCOCC1,IDOOYIFDOSXEPI-UHFFFAOYSA-N
-rxn:4:219402:222634,CC(C)(C)OC(=O)N1CCN(c2cnc(-c3ccc(OCCNC4CCCC4)c(F)c3)cn2)CC1,JSUGOWZWJNWWDN-UHFFFAOYSA-N
-rxn:4:219403:225271,COC(=O)c1cc(OC)c(OC)cc1-c1cnn(CC2CN(C3CCN(C4CC4)C3=O)C2)c1,HEVODWDDKKWHQU-UHFFFAOYSA-N
-rxn:4:219411:222634,Cc1cc(C(=O)N2CCC(Oc3ccncc3-c3ccc(OCCNC4CCCC4)c(F)c3)C2)nn1C,YORXGUQKFWFVSS-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:4:219439:224319,Cc1cc(S(=O)(=O)N2CCCCC2)ccc1-c1cccc(CN2CCN(c3nccc(C(F)(F)F)n3)CC2)c1,MKFFMXKOPCYXSN-UHFFFAOYSA-N
-rxn:4:219439:224392,Cc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1cccc(CN2CCN(c3nccc(C(F)(F)F)n3)CC2)c1,LZWCIRDYPGKYIH-UHFFFAOYSA-N
-rxn:4:219468:222546,O=C(N1CCOCC1)N1CCC(Oc2ncc(-c3ccc(OCCNC4CCCCC4)c(F)c3)cn2)CC1,NZQVCSMBZXZSSB-UHFFFAOYSA-N
-rxn:4:219473:226236,CCCCOc1ncc(C)cc1-c1cnc(N2CCOC(C(=O)N3CCCC3)C2)nc1OC,UZNKEJDACVTBPE-UHFFFAOYSA-N
-rxn:4:219488:226502,C[C@H]1CN(C(=O)OC(C)(C)C)CCN1c1ncc(-c2ccn(C(=O)OC(C)(C)C)c2)cn1,KUDWCOFVSXSWSJ-INIZCTEOSA-N
-rxn:4:219501:224397,CSc1ncc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)cc2)c(N2CCOC(C(=O)N3CCOCC3)C2)n1,UPVBYVFETYHFDL-UHFFFAOYSA-N
-rxn:4:219531:225885,CCCn1nnc2cc(-c3cnc(SC)nc3N3CCOC(C(=O)N4CCCCC4)C3)c(F)cc21,HUKRNLZGGCEORM-UHFFFAOYSA-N
-rxn:4:219534:222426,CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)Nc1ccc(-c3cncc(C(=O)N4CCC(n5nc(C6CC6)ccc5=O)CC4)c3)cc12,NRXUDWPTQCFLRO-UHFFFAOYSA-N
-rxn:4:219626:223894,CN1CCN(CCCOc2cccc(-c3ccc(C(=O)N4CCN(S(=O)(=O)c5ccc(Cl)c6nonc56)CC4)o3)c2)CC1,OHGZWISJSKYJSI-UHFFFAOYSA-N
-rxn:4:219639:225105,CCN(CC)C(=O)c1ccc(-c2ccc3nc(C4CCN(C(=O)OC(C)(C)C)C4)nn3c2)cc1F,RSNUUVYGUXPZQU-UHFFFAOYSA-N
-rxn:4:219687:224277,CC(C)(C)OC(=O)N1CCC(n2nnc3ccc(-c4ccnc5c4ccn5C(=O)OC(C)(C)C)cc32)CC1,XPMXHQZIUUGZHE-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:4:219742:224371,COC(=O)C1CCN(c2ncc(-c3cncc(C(=O)N4CCC(Cn5nc6c(cc5=O)CCC6)CC4)c3)cn2)CC1,FJDLEBITULRZLX-UHFFFAOYSA-N
-rxn:4:219743:223894,CC(C)c1sc(-c2cccc(OCCCN3CCN(C)CC3)c2)nc1C(=O)N1CCC(c2nc3ccccc3[nH]2)CC1,VNOIKMWCKDFKLZ-UHFFFAOYSA-N
-rxn:4:219766:226183,O=C(c1cncc(-c2cnccc2C2CCCCC2)c1)N1CCC(Cn2nc3c(cc2=O)CCCC3)CC1,FXBNAUHJTKWCOZ-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:4:219908:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1ccc(-c2nc(C#N)c(N3CCCN(C)CC3)o2)o1,SLKMZRMJVVFBPV-UHFFFAOYSA-N
-rxn:4:219908:222722,CN1CCCN(c2oc(-c3ccc(-c4cccc(S(=O)(=O)N5CCC(O)CC5)c4)o3)nc2C#N)CC1,ANYFSVDGZDZMHJ-UHFFFAOYSA-N
-rxn:4:219908:223541,CN1CCCN(c2oc(-c3ccc(-c4cc(F)c(F)cc4S(=O)(=O)N4CCC5(CC4)OCCO5)o3)nc2C#N)CC1,KYOUDFVEROCLIX-UHFFFAOYSA-N
-rxn:4:219931:222537,O=S(=O)(C1CC1)N1CCCN(c2ncc(-c3cc(C4CCCC4)nc(C4CCCNC4)c3)cn2)CC1,FNRNFRBFHXUGRI-UHFFFAOYSA-N
-rxn:4:219931:222985,Cc1nc(C2CCCNC2)ccc1-c1cnc(N2CCCN(S(=O)(=O)C3CC3)CC2)nc1,VHNQSZCLZWXGAD-UHFFFAOYSA-N
-rxn:4:219937:222658,Cn1cnc(S(=O)(=O)N2CCOC(c3cccc(-c4cc(F)cc(C(=O)NC5CCCCC5)c4)n3)C2)c1,WBFWFAJXYOZOLJ-UHFFFAOYSA-N
-rxn:4:219937:222673,Cn1cnc(S(=O)(=O)N2CCOC(c3cccc(-c4cc(C(=O)NC5CCCCC5)ccc4Cl)n3)C2)c1,OSPOTGBTHGIGQC-UHFFFAOYSA-N
-rxn:4:219959:223491,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cnc(N4CCOC(C(=O)N5CCOCC5)C4)nc3)cc(C(F)(F)F)c2)CC1,GHHHNVWIBOBRKH-UHFFFAOYSA-N
-rxn:4:220137:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc4nc(N5CCN(S(=O)(=O)C6CC6)CC5)ncc4c3)cc2)CC1,ZAEWIOSLIWWHHM-UHFFFAOYSA-N
-rxn:4:220429:225047,Cc1cc(-c2cnc(N3CCCN(C4CCOC4)CC3)nc2)cnc1N1CCC(C)CC1,SWJKBIYWEAXZKA-UHFFFAOYSA-N
-rxn:4:220533:223523,CCN1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CC(N5CC6CCCC6C5)C4)nc3)c3ccccc23)CC1,ADNLIPHDTYSDMJ-UHFFFAOYSA-N
-rxn:4:220536:223689,CCN1CCN(S(=O)(=O)c2cc(-c3ccc4ncnc(N5CCN(C6CCC6)CC5)c4c3)ccc2OC)CC1,POYLLCRRAUZWFE-UHFFFAOYSA-N
-rxn:4:220545:224022,c1cc2c(s1)CCN(C1CCN(c3ncc(-c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)cn3)CC1)C2,RAWLNQVCQXMPFN-UHFFFAOYSA-N
-rxn:4:221107:225898,Cc1ncn(CC(=O)N2CCCC(COc3ncc(-c4cnn(CCN5CCOCC5)c4)cn3)C2)c(=O)c1C,KXEZPYJYINQDBF-UHFFFAOYSA-N
-rxn:4:221121:222486,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cncc(-c6cncc(C7CCCCN7)c6)c5)ccc43)CC2)CC1,OCOJVJMSZQCEGZ-UHFFFAOYSA-N
-rxn:4:221126:222956,CCOC(=O)C1CCCN(c2nc3c(S(=O)(=O)c4ccc(-c5ccc(C)cc5C5CCCNC5)cc4)nnn3c3ccsc23)C1,MQSUHPZRXCRZHX-UHFFFAOYSA-N
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-rxn:4:221147:222693,N#Cc1ccnc(N2CCCC(COc3ncc(-c4ccc(S(=O)(=O)NC5CCCCC5)cc4)cn3)C2)c1,BCHOLDZJZRIZPF-UHFFFAOYSA-N
-rxn:4:221147:222694,N#Cc1ccnc(N2CCCC(COc3ncc(-c4cccc(S(=O)(=O)NC5CCCCC5)c4)cn3)C2)c1,SSYQHGGATGNNJR-UHFFFAOYSA-N
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-rxn:4:221150:222694,N#Cc1cccc(N2CCCC(COc3ncc(-c4cccc(S(=O)(=O)NC5CCCCC5)c4)cn3)C2)n1,OAFOQUKROSIOBK-UHFFFAOYSA-N
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-rxn:4:221498:223506,CC(C)(C)OC(=O)N1CCN(c2ncnc3[nH]cc(-c4cccc(S(=O)(=O)N5CCN(C(=O)OC(C)(C)C)CC5)c4)c23)CC1,INIZTJVEYPDWNT-UHFFFAOYSA-N
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-rxn:4:222185:223728,CCCCCC1CCC(c2ccc(-c3[nH]nc4ncnc(N5CCN(c6ccccc6OC)CC5)c34)c(F)c2)CC1,JHDDHRAXUPPEDM-UHFFFAOYSA-N
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-rxn:4:222751:174516,Cc1ccc(-c2ccccc2O[Si](C(C)C)(C(C)C)C(C)C)cc1NC(=O)OC(C)(C)C,JFRIMNANRDKYMH-UHFFFAOYSA-N
-rxn:4:222792:197876,CC(C)(C)OC(=O)Nc1ccc(F)c(-c2cc3c(cc2Cl)C(=O)N(C(C)(C)C)S3(=O)=O)c1,LXSNCOKADDEZHW-UHFFFAOYSA-N
-rxn:4:222812:184907,CN(C(=O)OC(C)(C)C)C(=O)c1ccccc1-c1cnc(Cl)c(NC(=O)OC(C)(C)C)c1,IATVFTOAYGFGJL-UHFFFAOYSA-N
-rxn:4:222812:185080,CC(c1cccc(-c2cnc(Cl)c(NC(=O)OC(C)(C)C)c2)c1)N(C)C(=O)OC(C)(C)C,MBMNIXBAPKTPCF-UHFFFAOYSA-N
-rxn:4:222821:176518,CC(C)(C)NS(=O)(=O)c1cc(-c2c(C(F)(F)F)ccc(F)c2C(=O)C(F)(F)F)ccc1F,CPIGOIORHRNMIL-UHFFFAOYSA-N
-rxn:4:222881:183899,CC(C)N(Cc1cccc(Cl)c1-c1ccc(C(=O)NC(C)(C)C)cc1F)C(=O)OC(C)(C)C,WFFGYYMGCXQZFZ-UHFFFAOYSA-N
-rxn:4:222942:187306,Cc1cc(-c2ccc(S(=O)(=O)NC3CC3)c(F)c2)c(OCC2CCCCC2)c([N+](=O)[O-])c1,PCIROJSWZYTWLP-UHFFFAOYSA-N
-rxn:4:223481:196472,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3cncc(-c4cc(F)ccc4F)c3)c(F)c2)CC1,ACGQXZVYNYOFKD-UHFFFAOYSA-N
-rxn:4:223570:174252,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3cccc(CCC(=O)OC(C)(C)C)c3)c(F)ncc21,GEMFAFDGZKDRDZ-UHFFFAOYSA-N
-rxn:4:223570:186751,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc(N(C(=O)C(F)(F)F)C4C=CS(=O)(=O)C4)cc3)c(F)ncc21,NWZDXLMYCPAGPX-UHFFFAOYSA-N
-rxn:4:223570:194531,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc4c(c3)CCN4S(=O)(=O)C(C)C)c(F)ncc21,HVTIFFJCYORWKD-UHFFFAOYSA-N
-rxn:4:223580:185066,COC(=O)c1ccc2c(c1)cc(-c1cnc(Sc3ccc(F)cc3)c(C(=O)OC(C)(C)C)c1)n2C(=O)OC(C)(C)C,QKHWBPPQZCQRDC-UHFFFAOYSA-N
-rxn:4:223580:187030,COC(=O)c1ccc2c(c1)cc(-c1ccc(C(=O)N(C(C)C)C(C)C)cc1)n2C(=O)OC(C)(C)C,FGEOMIBSQVDMBP-UHFFFAOYSA-N
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-rxn:5:176860:225601:226038,COC(=O)c1c(-c2ccc(C3(C#N)CCC3)cc2F)ccc(OC)c1-c1cc(F)c(C(F)(F)F)cc1OC,ZFLRVABOXRAPCY-UHFFFAOYSA-N
-rxn:5:177732:225784:225833,CC(C)(C)OC(=O)c1ccc(-c2ccc(CN3CCOCC3)nc2)c(-c2ccnc(N3CCCCC3)c2F)c1,MOODZNUAUOLPAL-UHFFFAOYSA-N
-rxn:5:177737:223065:226794,CC(C)(C)OC(=O)c1cc(-c2cnc(N3CCSCC3)nc2)ccc1-c1ccc(N2CCNCC2)cc1F,NRQQJSGVIOEZKF-UHFFFAOYSA-N
-rxn:5:177739:225498:226085,CC(C)(C)OC(=O)c1cccc(-c2cc(C3CCCCC3)ccc2F)c1-c1ccc2c(c1)CCC(C)(C)O2,ORUQRJQLUZXTOL-UHFFFAOYSA-N
-rxn:5:177850:227710:223058,CCOc1ccc(-c2ccc(OS(C)(=O)=O)cc2)c(C2OCCO2)c1-c1cc(F)nc(C2CCCNC2)c1,GXWATTGGFODLBY-UHFFFAOYSA-N
-rxn:5:178118:225603:225448,Cc1ccc(OC2CCCC2)c(-c2ccc(-c3cccc(C4(C#N)CCC4)c3F)c(OCC3CCCCO3)c2)c1,UJMMVEDAFZEPLE-UHFFFAOYSA-N
-rxn:5:178118:225634:227710,Cc1cc(-c2ccc(-c3ccc(OS(C)(=O)=O)cc3)cc2OCC2CCCCO2)cnc1N1CCCCC1,WMDQZRMGVRFPOB-UHFFFAOYSA-N
-rxn:5:178118:227710:225683,Cc1nc(C2CCCOC2)ccc1-c1ccc(-c2ccc(OS(C)(=O)=O)cc2)c(OCC2CCCCO2)c1,FTWCTKDLFHZEJJ-UHFFFAOYSA-N
-rxn:5:178119:225499:227052,Cc1cc(C(=O)OC(C)(C)C)cc(-c2ccc(C3CCCCC3)cc2F)c1-c1ccc(SC(C)(C)C)cc1,GDEUFWWQRLKYHM-UHFFFAOYSA-N
-rxn:5:178226:226652:227710,Cc1cc(-c2c(OCC3CCCCC3)cccc2-c2ccc(OS(C)(=O)=O)cc2)n(C2CCCCO2)n1,DYVDLPCIIUWTAR-UHFFFAOYSA-N
-rxn:5:178226:227710:222987,Cc1nc(C2CCNCC2)ccc1-c1cccc(OCC2CCCCC2)c1-c1ccc(OS(C)(=O)=O)cc1,YIVBMWBOIMBKQS-UHFFFAOYSA-N
-rxn:5:178295:226611:225886,CCc1ccc(C(F)(F)F)cc1-c1ccc(-c2ccc3c(ccn3S(C)(=O)=O)c2)cc1C1(C(=O)OC)CCC(=O)CC1,JDXKOWGFDGEJSH-UHFFFAOYSA-N
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-rxn:5:178295:226911:227673,CCc1cc(C)cc(CC)c1-c1ccc(-c2cccc(C(C)(F)F)c2F)cc1C1(C(=O)OC)CCC(=O)CC1,YIVVMYAUQNYMQM-UHFFFAOYSA-N
-rxn:5:178295:227052:226973,COC(=O)C1(c2cc(-c3ccc4c(c3)C(C)(C)CO4)ccc2-c2ccc(SC(C)(C)C)cc2)CCC(=O)CC1,XDGDYVKKVVMDIS-UHFFFAOYSA-N
-rxn:5:178295:227076:227592,CCC(C)c1ccc(F)c(-c2ccc(-c3cc(F)cc(OC)c3OC)cc2C2(C(=O)OC)CCC(=O)CC2)c1,BNFVYGHLOIPQRH-UHFFFAOYSA-N
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-rxn:5:178295:227346:226772,CCCc1cc(F)c(-c2ccc(-c3c(F)cc(C(=O)OC)cc3F)cc2C2(C(=O)OC)CCC(=O)CC2)c(F)c1,VURSTVMLEPLEOG-UHFFFAOYSA-N
-rxn:5:178295:227574:228443,COC(=O)C1(c2cc(-c3ccc(F)c(SC)c3F)ccc2-c2ccc(F)c(OC)c2OC)CCC(=O)CC1,IBHSUWWOHCNTGR-UHFFFAOYSA-N
-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
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-rxn:5:178295:227716:226911,CCc1cc(C)cc(CC)c1-c1ccc(-c2cccc(F)c2OC(F)F)c(C2(C(=O)OC)CCC(=O)CC2)c1,PYBYXOKVEJOKJS-UHFFFAOYSA-N
-rxn:5:178295:227831:226907,CCc1c(C)cc(-c2ccc(-c3cccc4c3CCC43CC3)cc2C2(C(=O)OC)CCC(=O)CC2)cc1C,CZLBZJNTVNUWLM-UHFFFAOYSA-N
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-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:5:178295:228158:227540,CCOc1cc(F)cc(-c2ccc(-c3cc(SC)cc(F)c3OC)cc2C2(C(=O)OC)CCC(=O)CC2)c1,VYKRWSKQJYRNQF-UHFFFAOYSA-N
-rxn:5:178295:228178:226068,COCc1ccc(F)c(-c2ccc(-c3c(C)cc(C(C)(C)C)cc3C)cc2C2(C(=O)OC)CCC(=O)CC2)c1,QWCYTGURNOIKDD-UHFFFAOYSA-N
-rxn:5:178295:228400:227540,COC(=O)C1(c2cc(-c3cc(SC)cc(F)c3OC)ccc2-c2ccc(F)c(F)c2OC)CCC(=O)CC1,SOXGATWLAFQCKH-UHFFFAOYSA-N
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-rxn:5:178295:228430:227581,CCOc1c(F)ccc(-c2ccc(-c3c(F)cc(SC)cc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1F,PSHQKWKENXQONU-UHFFFAOYSA-N
-rxn:5:178295:228443:227346,CCCc1cc(F)c(-c2ccc(-c3ccc(F)c(SC)c3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)c1,DCXDOPSGLHPSAC-UHFFFAOYSA-N
-rxn:5:178368:226763:225813,COC(=O)c1c(F)cc(-c2cc(C)c(S(=O)(=O)Oc3cc(C)c(-c4cc(F)c(OC(C)C)c(F)c4C)c(C)c3)cc2C)cc1F,LTLUVNSVOJSSMM-UHFFFAOYSA-N
-rxn:5:178466:223056:223062,CC(C)OC(=O)c1sc2cc(-c3ccc(N4CCC(O)CC4)nc3)ccc2c1-c1cnc(C2CCNCC2)cc1F,DOYQATVHXOZOFN-UHFFFAOYSA-N
-rxn:5:178466:223063:225980,CC(C)OC(=O)c1sc2cc(-c3cc(F)nc(C4CCNCC4)c3)ccc2c1-c1cc(N2CCOCC2)ncc1F,IOGGDFVUSGQXHS-UHFFFAOYSA-N
-rxn:5:178467:223061:227960,CCOC(=O)C1=Cc2cc(-c3ccncc3C3CCC3)cc(-c3cc(C4CCNCC4)ncc3F)c2OC1,XWYFWEYVBQDIGI-UHFFFAOYSA-N
-rxn:5:178467:225600:228974,CCOC(=O)C1=Cc2cc(-c3cnn(S(C)(=O)=O)c3)cc(-c3cccnc3OC3CCCCC3)c2OC1,PMLZFHPFEXNGOW-UHFFFAOYSA-N
-rxn:5:178467:225849:223378,CCOC(=O)C1=Cc2cc(-c3cnc4c(c3)NCCO4)cc(-c3cnc(N4CCCCC4)cc3F)c2OC1,NHGHHQPSHSGYRD-UHFFFAOYSA-N
-rxn:5:178467:226664:223134,CCOC(=O)C1=Cc2cc(-c3cnccc3C3CCCNC3)cc(-c3cc(N4CCCC4)ncc3F)c2OC1,FUVYYCNTNYSNAR-UHFFFAOYSA-N
-rxn:5:179840:225986:222956,Cc1ccc(-c2cc(O[C@@H]3CCOC3)ccc2-c2ccccc2N2CCCS2(=O)=O)c(C2CCCNC2)c1,HAQQGZOJHJFZBN-XSWBTSGESA-N
-rxn:5:180022:222959:223010,COc1c(-c2ccc(C3(O)CCOCC3)cc2)ccc(-c2ccc(C3CCNCC3)c(C)c2)c1C1OCCO1,BXCNMURYOWXBSE-UHFFFAOYSA-N
-rxn:5:180421:226686:227656,Cc1cnn(C2CCCCO2)c1-c1cc(CC2CCCCC2)ccc1-c1cc(N2CCOCC2)cs1,VRJZMCQKQTXDET-UHFFFAOYSA-N
-rxn:5:180662:225926:226571,COC(=O)C1=Cc2cc(-c3cnn(CC4CCOCC4)c3)cc(-c3ccc(S(=O)(=O)N4CCC4)cc3)c2OC1,KCTQBNXLPOPFKH-UHFFFAOYSA-N
-rxn:5:180662:226571:227710,COC(=O)C1=Cc2cc(-c3ccc(OS(C)(=O)=O)cc3)cc(-c3cnn(CC4CCOCC4)c3)c2OC1,HKKVYVHZPWGGCU-UHFFFAOYSA-N
-rxn:5:180662:227506:225880,COC(=O)C1=Cc2cc(-c3cc(C4CCOCC4)ncc3F)cc(-c3cccc(/C=C/[N+](=O)[O-])c3)c2OC1,GLBULHSYOABJKC-VMPITWQZSA-N
-rxn:5:180662:227507:225880,COC(=O)C1=Cc2cc(-c3cc(C4CCOCC4)ncc3F)cc(-c3cccc(C=C[N+](=O)[O-])c3)c2OC1,GLBULHSYOABJKC-UHFFFAOYSA-N
-rxn:5:180662:227710:225600,COC(=O)C1=Cc2cc(-c3cccnc3OC3CCCCC3)cc(-c3ccc(OS(C)(=O)=O)cc3)c2OC1,HYSMNZDKYCUVIV-UHFFFAOYSA-N
-rxn:5:180662:227710:226571,COC(=O)C1=Cc2cc(-c3cnn(CC4CCOCC4)c3)cc(-c3ccc(OS(C)(=O)=O)cc3)c2OC1,NFKKSEYZQMHODH-UHFFFAOYSA-N
-rxn:5:181626:225653:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cccc(-c2ccc(N3CCCCC3C)nc2)c1C1OCCO1,DHXACXIKHXKCEE-UHFFFAOYSA-N
-rxn:5:181905:225407:225653,Cc1ccc(-c2ccc(N3CCCCC3C)nc2)c(C2OCCO2)c1-c1ccc(C2CCCCCC2)cc1,OJXGGVMQWYFXJE-UHFFFAOYSA-N
-rxn:5:181907:225407:225455,Cc1cc(-c2ccc(C3CCCCCC3)cc2)c(-c2cc(N3CCCCC3)ccc2C)c(C2OCCO2)c1,XMHKYGCQKBQNAP-UHFFFAOYSA-N
-rxn:5:181907:225514:222985,Cc1cc(-c2cccc3c2OCC2(CC2)CO3)c(-c2ccc(C3CCCNC3)nc2C)c(C2OCCO2)c1,VVACPELJZMDCIZ-UHFFFAOYSA-N
-rxn:5:181908:222981:226652,Cc1cc(-c2cc(C3OCCO3)c(C)cc2-c2ccnc(NC3CCCCC3)c2)n(C2CCCCO2)n1,SXLZQSKHGOCFDP-UHFFFAOYSA-N
-rxn:5:181908:225407:225683,Cc1cc(-c2ccc(C3CCCCCC3)cc2)c(-c2ccc(C3CCCOC3)nc2C)cc1C1OCCO1,LVCCNIMXIGRTMG-UHFFFAOYSA-N
-rxn:5:181908:225986:225636,Cc1cc(-c2ccccc2N2CCCS2(=O)=O)c(-c2ccnc(N3CCC(C)CC3)c2)cc1C1OCCO1,WFGRFIFNVXNYDX-UHFFFAOYSA-N
-rxn:5:182010:225832:223141,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2cncc(C3CCNCC3)c2)ccc1C1CCOCC1,UKRJTLHMVZXKPZ-UHFFFAOYSA-N
-rxn:5:182012:225466:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(-c2ccc(N3CCCCC3C)cc2)cc1C1CCCOC1,JFJRNLOUKUCYIC-UHFFFAOYSA-N
-rxn:5:182012:225832:223140,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2ccnc(C3CCCNC3)c2)c(C2CCCOC2)c1,REMMIAMEVPTBRD-UHFFFAOYSA-N
-rxn:5:182950:225943:225884,O=C1CCOc2cc(-c3ccc(C4COCCO4)c(F)c3)c(-c3ccc(C(=O)N4CCOCC4)s3)cc21,SOOWXEIOUDEWAZ-UHFFFAOYSA-N
-rxn:5:188787:227684:225601,N#CC1(c2ccc(-c3cc(OC4CC4)c([N+](=O)[O-])cc3-c3cnn(CC4OCCO4)c3)c(F)c2)CCC1,QBHHWFKEUWQBBK-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:5:188931:226338:226324,COC(=O)c1cc(-c2ccnc(OC3CCCC3)c2)cc(S(N)(=O)=O)c1-c1cccnc1OC1CCCC1,RNSXCZUENFAYCE-UHFFFAOYSA-N
-rxn:5:189209:223004:229088,CC(=O)c1csc(-c2cc(C(=O)ON3C(=O)CCC3=O)cc(-c3ccc(C4CCNCC4)c(F)c3)c2)c1,MDAWSIURGPVBIL-UHFFFAOYSA-N
-rxn:5:189209:229088:223002,CC(=O)c1csc(-c2cc(C(=O)ON3C(=O)CCC3=O)cc(-c3ccc(C4CCNCC4)cc3F)c2)c1,ZKHZQIIMIYXRPA-UHFFFAOYSA-N
-rxn:5:189210:223007:229090,CC(=O)c1cc(-c2cccc(-c3cc(F)cc(C4CCNCC4)c3)c2C(=O)ON2C(=O)CCC2=O)cs1,OIIJLXALERVKFS-UHFFFAOYSA-N
-rxn:5:189211:223058:223172,O=C(ON1C(=O)CCC1=O)c1cccc(-c2cc(F)nc(C3CCCNC3)c2)c1-c1cc2cc([N+](=O)[O-])ccc2[nH]1,DDODYEVMKCGLFZ-UHFFFAOYSA-N
-rxn:5:189211:228391:223064,O=C(ON1C(=O)CCC1=O)c1cccc(-c2cccc(C(F)(F)F)c2)c1-c1ccc(C2CCNCC2)nc1F,RNIGVQMQRDNMDV-UHFFFAOYSA-N
-rxn:5:189212:225870:227302,Cc1cc(-c2ccc(C(=O)ON3C(=O)CCC3=O)cc2-c2cc(F)cc(N3CCOCC3)c2)cnc1OC(C)C,UUJRXJLZINFRFZ-UHFFFAOYSA-N
-rxn:5:189665:223058:227506,O=[N+]([O-])/C=C/c1cccc(-c2cc(-c3cc(F)nc(C4CCCNC4)c3)cnc2OCC2CCOCC2)c1,SDNNNRIJLCRSKB-UXBLZVDNSA-N
-rxn:5:189665:223058:227507,O=[N+]([O-])C=Cc1cccc(-c2cc(-c3cc(F)nc(C4CCCNC4)c3)cnc2OCC2CCOCC2)c1,SDNNNRIJLCRSKB-UHFFFAOYSA-N
-rxn:5:189665:223064:227291,CN(C)Cc1ccc(-c2cc(-c3ccc(C4CCNCC4)nc3F)cnc2OCC2CCOCC2)cc1F,YUWWELAETLTMLW-UHFFFAOYSA-N
-rxn:5:189665:223064:227301,CN(C)Cc1cc(F)ccc1-c1cc(-c2ccc(C3CCNCC3)nc2F)cnc1OCC1CCOCC1,ZIRMTOHFMWEAOW-UHFFFAOYSA-N
-rxn:5:189665:223064:227506,O=[N+]([O-])/C=C/c1cccc(-c2cc(-c3ccc(C4CCNCC4)nc3F)cnc2OCC2CCOCC2)c1,LGOLCIYPQROSJU-MDWZMJQESA-N
-rxn:5:189665:223064:227507,O=[N+]([O-])C=Cc1cccc(-c2cc(-c3ccc(C4CCNCC4)nc3F)cnc2OCC2CCOCC2)c1,LGOLCIYPQROSJU-UHFFFAOYSA-N
-rxn:5:189665:225636:227291,CC1CCN(c2cc(-c3cnc(OCC4CCOCC4)c(-c4ccc(CN(C)C)c(F)c4)c3)ccn2)CC1,JUCDGNIRUQTYBP-UHFFFAOYSA-N
-rxn:5:189665:225636:227301,CC1CCN(c2cc(-c3cnc(OCC4CCOCC4)c(-c4ccc(F)cc4CN(C)C)c3)ccn2)CC1,ISBFLWTWTHPAQL-UHFFFAOYSA-N
-rxn:5:189665:227291:223064,CN(C)Cc1ccc(-c2cnc(OCC3CCOCC3)c(-c3ccc(C4CCNCC4)nc3F)c2)cc1F,IHNGYGLLOCQUFE-UHFFFAOYSA-N
-rxn:5:189665:227291:225636,CC1CCN(c2cc(-c3cc(-c4ccc(CN(C)C)c(F)c4)cnc3OCC3CCOCC3)ccn2)CC1,SMBZTESXKLVGJS-UHFFFAOYSA-N
-rxn:5:189665:227301:223061,CN(C)Cc1cc(F)ccc1-c1cnc(OCC2CCOCC2)c(-c2cc(C3CCNCC3)ncc2F)c1,GOQHCQMPDVJDCH-UHFFFAOYSA-N
-rxn:5:189665:227301:223064,CN(C)Cc1cc(F)ccc1-c1cnc(OCC2CCOCC2)c(-c2ccc(C3CCNCC3)nc2F)c1,CADSJICHLKGGAQ-UHFFFAOYSA-N
-rxn:5:189665:227506:223002,O=[N+]([O-])/C=C/c1cccc(-c2cnc(OCC3CCOCC3)c(-c3ccc(C4CCNCC4)cc3F)c2)c1,ITEDPVOERCPSCI-MDWZMJQESA-N
-rxn:5:189665:227506:223058,O=[N+]([O-])/C=C/c1cccc(-c2cnc(OCC3CCOCC3)c(-c3cc(F)nc(C4CCCNC4)c3)c2)c1,JOODWKSOKHXGKF-UXBLZVDNSA-N
-rxn:5:189665:227506:223061,O=[N+]([O-])/C=C/c1cccc(-c2cnc(OCC3CCOCC3)c(-c3cc(C4CCNCC4)ncc3F)c2)c1,QHQFURMNKJOEBK-IZZDOVSWSA-N
-rxn:5:189665:227506:223064,O=[N+]([O-])/C=C/c1cccc(-c2cnc(OCC3CCOCC3)c(-c3ccc(C4CCNCC4)nc3F)c2)c1,ZSOGNEFJYJKOPP-MDWZMJQESA-N
-rxn:5:189665:227507:223002,O=[N+]([O-])C=Cc1cccc(-c2cnc(OCC3CCOCC3)c(-c3ccc(C4CCNCC4)cc3F)c2)c1,ITEDPVOERCPSCI-UHFFFAOYSA-N
-rxn:5:189665:227507:223058,O=[N+]([O-])C=Cc1cccc(-c2cnc(OCC3CCOCC3)c(-c3cc(F)nc(C4CCCNC4)c3)c2)c1,JOODWKSOKHXGKF-UHFFFAOYSA-N
-rxn:5:189665:227507:223061,O=[N+]([O-])C=Cc1cccc(-c2cnc(OCC3CCOCC3)c(-c3cc(C4CCNCC4)ncc3F)c2)c1,QHQFURMNKJOEBK-UHFFFAOYSA-N
-rxn:5:189665:227507:223064,O=[N+]([O-])C=Cc1cccc(-c2cnc(OCC3CCOCC3)c(-c3ccc(C4CCNCC4)nc3F)c2)c1,ZSOGNEFJYJKOPP-UHFFFAOYSA-N
-rxn:5:189665:227710:222957,Cc1cc(-c2cc(-c3ccc(OS(C)(=O)=O)cc3)cnc2OCC2CCOCC2)cc(C2CCCNC2)c1,JYIJVEWAPDQLID-UHFFFAOYSA-N
-rxn:5:189665:227710:225454,CN1CC=C(c2ccc(-c3cc(-c4ccc(OS(C)(=O)=O)cc4)cnc3OCC3CCOCC3)cc2)CC1,COKPROKBLLOWBF-UHFFFAOYSA-N
-rxn:5:189665:227710:225455,Cc1ccc(N2CCCCC2)cc1-c1cc(-c2ccc(OS(C)(=O)=O)cc2)cnc1OCC1CCOCC1,FGBIOUCOVPFNBK-UHFFFAOYSA-N
-rxn:5:189665:227710:225636,CC1CCN(c2cc(-c3cc(-c4ccc(OS(C)(=O)=O)cc4)cnc3OCC3CCOCC3)ccn2)CC1,YCWZTZRVQWZCTM-UHFFFAOYSA-N
-rxn:5:189665:227710:225637,CN1CCN(c2ccccc2-c2cc(-c3ccc(OS(C)(=O)=O)cc3)cnc2OCC2CCOCC2)CC1,HQKILVTVOYNEHK-UHFFFAOYSA-N
-rxn:5:189665:227710:225655,CC1CCN(c2cncc(-c3cc(-c4ccc(OS(C)(=O)=O)cc4)cnc3OCC3CCOCC3)c2)CC1,GAPBRSBCYRORPK-UHFFFAOYSA-N
-rxn:5:189718:223001:228877,O=[N+]([O-])c1cc(-c2ccnn2C2CC2F)c(-c2cc(C3CCCNC3)ccc2F)cc1OC1CCOCC1,SOLOWKKRLVIMEA-UHFFFAOYSA-N
-rxn:5:189718:223068:227449,O=[N+]([O-])c1cc(-c2ccc(C3CCOCC3)s2)c(-c2ccc3[nH]c(C(F)(F)F)cc3c2)cc1OC1CCOCC1,GZRLMQKOXWWTDF-UHFFFAOYSA-N
-rxn:5:189718:223088:226187,O=[N+]([O-])c1cc(-c2cccc(C3CCOCC3)c2)c(-c2ccnc3[nH]c(C(F)(F)F)cc23)cc1OC1CCOCC1,OCMUGVFHDJRYNG-UHFFFAOYSA-N
-rxn:5:189718:223239:227450,O=[N+]([O-])c1cc(-c2cccc(C3CC3(F)F)c2)c(-c2cncc(C3CCCN3)c2)cc1OC1CCOCC1,PNLBAHBVVISVLL-UHFFFAOYSA-N
-rxn:5:189718:225986:223061,O=[N+]([O-])c1cc(-c2cc(C3CCNCC3)ncc2F)c(-c2ccccc2N2CCCS2(=O)=O)cc1OC1CCOCC1,XWDKDVRKGWWYOU-UHFFFAOYSA-N
-rxn:5:189718:225986:223064,O=[N+]([O-])c1cc(-c2ccc(C3CCNCC3)nc2F)c(-c2ccccc2N2CCCS2(=O)=O)cc1OC1CCOCC1,KCDXBKNXOLBXNS-UHFFFAOYSA-N
-rxn:5:189718:226185:223088,O=[N+]([O-])c1cc(-c2ccnc3[nH]c(C(F)(F)F)cc23)c(-c2ccc(C3CCOCC3)cc2)cc1OC1CCOCC1,PNVKREAZORMIDT-UHFFFAOYSA-N
-rxn:5:189718:226187:223088,O=[N+]([O-])c1cc(-c2ccnc3[nH]c(C(F)(F)F)cc23)c(-c2cccc(C3CCOCC3)c2)cc1OC1CCOCC1,PNZLXRFPDRZPMY-UHFFFAOYSA-N
-rxn:5:189718:226447:223088,O=[N+]([O-])c1cc(-c2ccnc3[nH]c(C(F)(F)F)cc23)c(-c2ccnc(C3CCOCC3)c2)cc1OC1CCOCC1,LCKHVIFLSKSTLS-UHFFFAOYSA-N
-rxn:5:189718:227403:223086,O=[N+]([O-])c1cc(-c2cc3[nH]ncc3cc2C(F)(F)F)c(-c2ccc(N3CCCCC3)s2)cc1OC1CCOCC1,XREUCISFZWOENN-UHFFFAOYSA-N
-rxn:5:189718:227403:227689,O=[N+]([O-])c1cc(-c2ccc(CC(F)(F)F)nc2)c(-c2ccc(N3CCCCC3)s2)cc1OC1CCOCC1,SIIOJGDZIJYPCT-UHFFFAOYSA-N
-rxn:5:189718:227403:228476,O=[N+]([O-])c1cc(-c2cccnc2C(F)(F)F)c(-c2ccc(N3CCCCC3)s2)cc1OC1CCOCC1,UGPXNOSEWQBTRE-UHFFFAOYSA-N
-rxn:5:189718:227657:227689,O=[N+]([O-])c1cc(-c2ccc(CC(F)(F)F)nc2)c(-c2ccc(N3CCOCC3)s2)cc1OC1CCOCC1,ULFXNDWOJPZEOF-UHFFFAOYSA-N
-rxn:5:189718:228210:227689,O=[N+]([O-])c1cc(-c2ccc(CC(F)(F)F)nc2)c(-c2ccc(N3CCCC3)s2)cc1OC1CCOCC1,MZPIBPUURFGQLE-UHFFFAOYSA-N
-rxn:5:189718:228969:226182,O=[N+]([O-])c1cc(-c2cccnc2C2CCCCC2)c(-c2cscc2C(F)(F)F)cc1OC1CCOCC1,GSWBMUJPAGVWCD-UHFFFAOYSA-N
-rxn:5:189829:227027:225817,COc1c(-c2ccc(C(F)(F)F)c(C3CC3)c2)cc(C(=O)N2CCCC2)cc1-c1ccccc1C1(C#N)CC1,BMWAHRSXUVDDDH-UHFFFAOYSA-N
-rxn:5:189952:222417:226583,COc1c(-c2ccc(CN3CCOCC3)s2)cc(C(=O)N2CCOCC2)cc1-c1cnc(=O)[nH]c1C(C)C,REDNUELPGQNCLJ-UHFFFAOYSA-N
-rxn:5:189952:226761:226766,COc1c(-c2cc(C)ccc2OC(F)(F)F)cc(C(=O)N2CCOCC2)cc1-c1ccc(SC)cc1C(F)(F)F,MBDPKWURMFYAHK-UHFFFAOYSA-N
-rxn:5:189952:226777:226876,COc1c(-c2cc(C)c(F)c(OC(F)F)c2)cc(C(=O)N2CCOCC2)cc1-c1ccc(F)cc1OC(F)(F)F,OGJDSOIGJYTUBV-UHFFFAOYSA-N
-rxn:5:190097:226661:227297,CN(C)Cc1ccc(F)c(-c2ccc(-c3cc(N4CCN(C)CC4)cs3)cc2CCN2CCCCC2)c1,WSDVEVOENNZYOY-UHFFFAOYSA-N
-rxn:5:190097:226662:227299,CN(C)Cc1cc(F)cc(-c2ccc(-c3ccc(N4CCN(C)CC4)s3)cc2CCN2CCCCC2)c1,RMTAFAPTFRRZLG-UHFFFAOYSA-N
-rxn:5:190128:227562:227045,COc1ccc(F)c(-c2ccc(C(=O)N3CCC(OC)CC3)cc2-c2cccc(SC(C)(C)C)c2)c1OC,GQLDPBASVIGBSK-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:5:190195:223063:228363,CN(C)c1cc(F)c(-c2cc(CN(C)C3CCOCC3)ccc2-c2cc(F)nc(C3CCNCC3)c2)cn1,MKTGGZGAFFHJRN-UHFFFAOYSA-N
-rxn:5:190195:228366:225881,CN(C)c1ncc(-c2ccc(CN(C)C3CCOCC3)cc2-c2ccc(C3CCOCC3)nc2F)cc1F,BPTNZMMJNUVRRN-UHFFFAOYSA-N
-rxn:5:190196:223058:227291,CN(C)Cc1ccc(-c2cc(-c3cc(F)nc(C4CCCNC4)c3)ccc2CN(C)C2CCOCC2)cc1F,GAZSVDJVIQUFEI-UHFFFAOYSA-N
-rxn:5:190196:223064:227291,CN(C)Cc1ccc(-c2cc(-c3ccc(C4CCNCC4)nc3F)ccc2CN(C)C2CCOCC2)cc1F,XQICXHJQFSCRBI-UHFFFAOYSA-N
-rxn:5:190196:225927:228878,CN(C)c1ccc(C(F)(F)F)cc1-c1ccc(CN(C)C2CCOCC2)c(-c2cnn(C3COC3)c2)c1,GHJNFYLRCZQIQJ-UHFFFAOYSA-N
-rxn:5:190196:227291:223002,CN(C)Cc1ccc(-c2ccc(CN(C)C3CCOCC3)c(-c3ccc(C4CCNCC4)cc3F)c2)cc1F,TUCUDFOCHOVLII-UHFFFAOYSA-N
-rxn:5:190196:227291:223058,CN(C)Cc1ccc(-c2ccc(CN(C)C3CCOCC3)c(-c3cc(F)nc(C4CCCNC4)c3)c2)cc1F,UGYJJELWYJEJBK-UHFFFAOYSA-N
-rxn:5:190196:227291:223061,CN(C)Cc1ccc(-c2ccc(CN(C)C3CCOCC3)c(-c3cc(C4CCNCC4)ncc3F)c2)cc1F,UELFFFQMBJGGOC-UHFFFAOYSA-N
-rxn:5:190196:227291:223064,CN(C)Cc1ccc(-c2ccc(CN(C)C3CCOCC3)c(-c3ccc(C4CCNCC4)nc3F)c2)cc1F,PZGBYRSJKHYVKR-UHFFFAOYSA-N
-rxn:5:190196:227301:223002,CN(C)Cc1cc(F)ccc1-c1ccc(CN(C)C2CCOCC2)c(-c2ccc(C3CCNCC3)cc2F)c1,CUAVIVUYPUEZGF-UHFFFAOYSA-N
-rxn:5:190196:227301:223061,CN(C)Cc1cc(F)ccc1-c1ccc(CN(C)C2CCOCC2)c(-c2cc(C3CCNCC3)ncc2F)c1,YOZWOSXADJWKSD-UHFFFAOYSA-N
-rxn:5:190196:227301:225636,CC1CCN(c2cc(-c3cc(-c4ccc(F)cc4CN(C)C)ccc3CN(C)C3CCOCC3)ccn2)CC1,IHJRXBIQXAXKMR-UHFFFAOYSA-N
-rxn:5:190196:227301:225655,CC1CCN(c2cncc(-c3cc(-c4ccc(F)cc4CN(C)C)ccc3CN(C)C3CCOCC3)c2)CC1,UKPICFOOOZZRPA-UHFFFAOYSA-N
-rxn:5:190196:227301:227612,CN(C)Cc1cc(F)ccc1-c1ccc(CN(C)C2CCOCC2)c(-c2cnn(C3CCCCO3)c2)c1,SBOFKSVADMDKNS-UHFFFAOYSA-N
-rxn:5:190196:227612:227301,CN(C)Cc1cc(F)ccc1-c1cc(-c2cnn(C3CCCCO3)c2)ccc1CN(C)C1CCOCC1,CZUGPISQOCLPOJ-UHFFFAOYSA-N
-rxn:5:190196:228361:225978,CN(C)c1cc(-c2ccc(CN(C)C3CCOCC3)c(-c3ccc(N4CCOCC4)nc3F)c2)c(F)cn1,LTVCKWLAJUTSEC-UHFFFAOYSA-N
-rxn:5:190196:228695:223002,CN(C)Cc1cc(-c2ccc(CN(C)C3CCOCC3)c(-c3ccc(C4CCNCC4)cc3F)c2)cs1,BWLWFIMIXLYGMM-UHFFFAOYSA-N
-rxn:5:190196:228695:223058,CN(C)Cc1cc(-c2ccc(CN(C)C3CCOCC3)c(-c3cc(F)nc(C4CCCNC4)c3)c2)cs1,LLPGUXKGGRKEPT-UHFFFAOYSA-N
-rxn:5:190196:228695:223061,CN(C)Cc1cc(-c2ccc(CN(C)C3CCOCC3)c(-c3cc(C4CCNCC4)ncc3F)c2)cs1,ATAAPMMGTXCNNH-UHFFFAOYSA-N
-rxn:5:190196:228695:223064,CN(C)Cc1cc(-c2ccc(CN(C)C3CCOCC3)c(-c3ccc(C4CCNCC4)nc3F)c2)cs1,XRILROSQRMCFIR-UHFFFAOYSA-N
-rxn:5:190196:228695:225833,CN(C)Cc1cc(-c2ccc(CN(C)C3CCOCC3)c(-c3ccnc(N4CCCCC4)c3F)c2)cs1,FQYGOPTYPFHXHS-UHFFFAOYSA-N
-rxn:5:190197:223006:228366,CN(C)c1ncc(-c2ccc(CN(C)C3CCOCC3)c(-c3ccc(F)c(C4CCNCC4)c3)c2)cc1F,GDMBCRDYRKPMTD-UHFFFAOYSA-N
-rxn:5:190197:223058:228366,CN(C)c1ncc(-c2ccc(CN(C)C3CCOCC3)c(-c3cc(F)nc(C4CCCNC4)c3)c2)cc1F,DOHFEQBELYAQEL-UHFFFAOYSA-N
-rxn:5:190197:228361:225880,CN(C)c1cc(-c2cc(-c3cc(C4CCOCC4)ncc3F)ccc2CN(C)C2CCOCC2)c(F)cn1,RTSBXKJWYCGLEZ-UHFFFAOYSA-N
-rxn:5:190197:228363:225881,CN(C)c1cc(F)c(-c2cc(-c3ccc(C4CCOCC4)nc3F)ccc2CN(C)C2CCOCC2)cn1,SWOAOMRMVZLTRC-UHFFFAOYSA-N
-rxn:5:190197:228363:225978,CN(C)c1cc(F)c(-c2cc(-c3ccc(N4CCOCC4)nc3F)ccc2CN(C)C2CCOCC2)cn1,JFOWYJHPVCIYOA-UHFFFAOYSA-N
-rxn:5:190198:223007:228366,CN(C)c1ncc(-c2cccc(-c3cc(F)cc(C4CCNCC4)c3)c2CN(C)C2CCOCC2)cc1F,BKWLCZWQKLBNTC-UHFFFAOYSA-N
-rxn:5:190198:223058:227303,CN(C)Cc1cccc(-c2cccc(-c3cc(F)nc(C4CCCNC4)c3)c2CN(C)C2CCOCC2)c1F,XXGFWVPCFJLCRR-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:5:190199:223007:228366,CN(C)c1ncc(-c2ccc(-c3cc(F)cc(C4CCNCC4)c3)c(CN(C)C3CCOCC3)c2)cc1F,NSDNCNABOQHYPK-UHFFFAOYSA-N
-rxn:5:190199:227297:223186,CN(C)Cc1ccc(F)c(-c2ccc(-c3cnn(C4CCCCO4)c3)cc2CN(C)C2CCOCC2)c1,BGKFGIHOICRMIW-UHFFFAOYSA-N
-rxn:5:190199:228363:225881,CN(C)c1cc(F)c(-c2ccc(-c3ccc(C4CCOCC4)nc3F)cc2CN(C)C2CCOCC2)cn1,GJMZOJXNQFWMOE-UHFFFAOYSA-N
-rxn:5:190199:228363:225978,CN(C)c1cc(F)c(-c2ccc(-c3ccc(N4CCOCC4)nc3F)cc2CN(C)C2CCOCC2)cn1,VIFSCSTZFDQIHO-UHFFFAOYSA-N
-rxn:5:190199:228366:223007,CN(C)c1ncc(-c2ccc(-c3cc(F)cc(C4CCNCC4)c3)cc2CN(C)C2CCOCC2)cc1F,KFKXXTWLRNZITJ-UHFFFAOYSA-N
-rxn:5:190200:223007:228366,CN(C)c1ncc(-c2cc(CN(C)C3CCOCC3)cc(-c3cc(F)cc(C4CCNCC4)c3)c2)cc1F,QMVOXUCXILGKTL-UHFFFAOYSA-N
-rxn:5:190200:225927:228879,CN(C)c1ccc(C(F)(F)F)cc1-c1cc(CN(C)C2CCOCC2)cc(-c2ccnn2C2COC2)c1,BHNDBGBBPROTEA-UHFFFAOYSA-N
-rxn:5:190201:227491:223113,CC1CN(CCc2cc(-c3cnc(OC4CCC4)nc3)ccc2-c2ccc3c(c2)C(C)(C)C(=O)N3)CCO1,DGFJHVWPMFIVAD-UHFFFAOYSA-N
-rxn:5:190231:228681:225926,COc1c(-c2ccc(S(=O)(=O)N3CCC3)cc2)cc(C(=O)N2CCOC(C)C2)cc1-c1ccnn1CC1CC1,QKCRLMKHYHBQDY-UHFFFAOYSA-N
-rxn:5:190264:225784:222984,CC1CCN(C(=O)Cc2ccc(-c3ccc(CN4CCC(O)C4)cc3)c(-c3ccc(CN4CCOCC4)nc3)c2)CC1,JNTRNAUOFJTWLM-UHFFFAOYSA-N
-rxn:5:190264:225886:225407,CC1CCN(C(=O)Cc2ccc(-c3ccc(C4CCCCCC4)cc3)c(-c3ccc4c(ccn4S(C)(=O)=O)c3)c2)CC1,MUQOQNFTSLGRBB-UHFFFAOYSA-N
-rxn:5:190264:226137:227353,COc1cc(C)c(-c2ccc(CC(=O)N3CCC(C)CC3)cc2-c2cc(C3CC3)cnc2C(C)C)c(OC)c1,GCDQJKWVDNGIKS-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:5:190265:226643:227771,CC1CCCN(C(=O)Cc2ccc(-c3ccc(OC(F)(F)F)nc3)c(-c3ccc(N4CCOCC4)nc3)c2)C1,MAVJXSHGWBOVBR-UHFFFAOYSA-N
-rxn:5:190265:227724:225595,CC1CCCN(C(=O)Cc2ccc(-c3ccc(F)c(CN4CCCC4)c3)c(-c3cc(OC(F)F)ccc3F)c2)C1,CAAGTDGKMKXSTP-UHFFFAOYSA-N
-rxn:5:190307:228695:225849,CC1CCN(CCc2cc(-c3csc(CN(C)C)c3)ccc2-c2cnc(N3CCCCC3)cc2F)CC1,LJKNVVAJDMJBSP-UHFFFAOYSA-N
-rxn:5:190308:225601:225886,CC1CCCN(CCc2cc(-c3ccc(C4(C#N)CCC4)cc3F)ccc2-c2ccc3c(ccn3S(C)(=O)=O)c2)C1,ODSOUEKXDOZHMA-UHFFFAOYSA-N
-rxn:5:190336:227508:228231,COC(=O)c1cc(-c2cc(C(=O)N3CCCC(C)C3)cc(-c3ccc(N(C)C)cc3F)c2OC)cc(C)n1,AGKLWPFALVCRKK-UHFFFAOYSA-N
-rxn:5:190336:227801:223421,CNC(C)c1ccc(-c2cc(C(=O)N3CCCC(C)C3)cc(-c3c(C(F)(F)F)ccnc3F)c2OC)s1,CCYKZNPIJRVGDB-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:5:190484:227773:228236,O=C(c1cccc(-c2cccnc2OC(F)(F)F)c1)N1CCC(c2ccccc2-c2ccnc(F)c2C2CC2)S(=O)(=O)CC1,KLPKJHWHAXZIHD-UHFFFAOYSA-N
-rxn:5:190740:225849:225976,CCOC(=O)c1cnc2c(C)cc(-c3cnc(N4CCCCC4)cc3F)cc2c1-c1ccnc(N2CCOCC2)c1F,TXCJRXVJSQWSGV-UHFFFAOYSA-N
-rxn:5:190741:225982:225639,CCOC(=O)c1cnc2c(-c3cnc(N4CCOCC4)cc3F)cc(C)cc2c1-c1cccnc1N1CCC(C)CC1,IHMGPTOFLQKCTH-UHFFFAOYSA-N
-rxn:5:190742:226583:225784,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(CN4CCOCC4)s3)c2c1-c1ccc(CN2CCOCC2)nc1,JGQGZKQQASVVOT-UHFFFAOYSA-N
-rxn:5:190744:225849:223058,CCOC(=O)c1cnc2c(-c3cnc(N4CCCCC4)cc3F)c(C)ccc2c1-c1cc(F)nc(C2CCCNC2)c1,ATKDJJSQUZVBDI-UHFFFAOYSA-N
-rxn:5:190796:225450:226062,CC(C)c1cc(-c2cccc3c2c(-c2ccc(C(=O)C4CCCC4)cc2)cn3C(=O)OC(C)(C)C)cc(C(C)C)c1,KQWRUMZJTTYPTI-UHFFFAOYSA-N
-rxn:5:190797:225453:226322,Cc1cc(C(=O)N(C)C)ccc1-c1cc(-c2cccc(SC3CCCCC3)c2)cc2c1ccn2C(=O)OC(C)(C)C,CENUUQYEDLZVGO-UHFFFAOYSA-N
-rxn:5:190832:223018:226028,CCOC(=O)c1cnc2cc(C)c(-c3ccc4c(c3)NC(=O)C(C)(C)O4)c(C)c2c1-c1ccc(C(F)(F)F)c(C#N)c1F,MSRRYXLBUKMWKD-UHFFFAOYSA-N
-rxn:5:190833:227045:228342,CC(C)(C)OC(=O)N1Cc2c(-c3cccc(OC(F)F)c3)ccc(-c3cccc(SC(C)(C)C)c3)c2C1=O,UWJPDZVPXZOAJK-UHFFFAOYSA-N
-rxn:5:190998:228703:223061,COC(=O)c1cc(-c2cc(C3CCNCC3)ncc2F)ccc1N1Cc2cc(-c3cnn(C4CCC4)c3)ccc2OCC1=O,UTLURRWGGZVXDL-UHFFFAOYSA-N
-rxn:5:191026:228606:226750,CCc1ccc(F)c(-c2ccc3c(c2)N(c2ccc(C)c(-c4cc(C(F)(F)F)ccc4OC)c2)C=C(C(=O)OC)S3(=O)=O)c1,DMSWHNVDHSOXBJ-UHFFFAOYSA-N
-rxn:5:192882:225605:226898,Cc1cnc(OC2CCCC2)c(-c2cnc(OC3CCCC3)c(-c3cn(S(=O)(=O)N(C)C)nc3C)c2)c1,HKHWTALRCCELQO-UHFFFAOYSA-N
-rxn:5:193226:225655:227316,CC(C)Cc1cc(-c2cc(C(=O)N3CCOCC3)ccc2-c2cncc(N3CCC(C)CC3)c2)cc(F)n1,ZQFOAKGYSFSEDR-UHFFFAOYSA-N
-rxn:5:193226:225976:225980,O=C(c1ccc(-c2ccnc(N3CCOCC3)c2F)c(-c2cc(N3CCOCC3)ncc2F)c1)N1CCOCC1,WCWRETOXRJKCQS-UHFFFAOYSA-N
-rxn:5:193228:227716:225987,O=C(c1cc(-c2ccc(N3CCCS3(=O)=O)cc2)cc(-c2cccc(F)c2OC(F)F)c1)N1CCSCC1,XUZPCAKPLRPXLA-UHFFFAOYSA-N
-rxn:5:193229:227316:223061,CC(C)Cc1cc(-c2cccc(C(=O)N3CCOCC3)c2-c2cc(C3CCNCC3)ncc2F)cc(F)n1,HGEDAYPQWJZTSZ-UHFFFAOYSA-N
-rxn:5:193231:227291:223002,CN(C)Cc1ccc(-c2ccc(C(=O)N3CCSCC3)c(-c3ccc(C4CCNCC4)cc3F)c2)cc1F,XMTQFJWPVBRWCJ-UHFFFAOYSA-N
-rxn:5:193231:227291:223064,CN(C)Cc1ccc(-c2ccc(C(=O)N3CCSCC3)c(-c3ccc(C4CCNCC4)nc3F)c2)cc1F,DARBJMCYIIAJKI-UHFFFAOYSA-N
-rxn:5:193338:226572:223064,Fc1nc(C2CCNCC2)ccc1-c1cc(CN2CCOCC2)cc(-c2cnc(OC3CCCC3)nc2)c1,AJXADTPDZAQLHO-UHFFFAOYSA-N
-rxn:5:193382:222404:223142,O=C1NC(=O)C(c2ccc(-c3ccc(S(=O)(=O)N4CCOCC4)c(-c4ccc(C5CCCNC5)nc4)c3)cc2)N1,JHENIHDCCCJGHH-UHFFFAOYSA-N
-rxn:5:193382:222405:222996,O=C1NC(=O)C(c2cccc(-c3ccc(S(=O)(=O)N4CCOCC4)c(-c4ccc(F)cc4C4CCCNC4)c3)c2)N1,ODPJEESCXYRFGW-UHFFFAOYSA-N
-rxn:5:193382:222956:223199,Cc1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3cccc(C4CCNC4)c3)c2)c(C2CCCNC2)c1,CSZCDNJSKRAQNP-UHFFFAOYSA-N
-rxn:5:193382:222958:227517,Cc1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3ccc(OC4COC4)nc3)c2)cc1C1CCNCC1,VBVNRXCWSRDDIG-UHFFFAOYSA-N
-rxn:5:193382:222959:222960,Cc1cc(-c2cc(-c3ccc(C4CCNCC4)c(C)c3)ccc2S(=O)(=O)N2CCOCC2)cc(C2CCNCC2)c1,HTDVUUOKPQUBJF-UHFFFAOYSA-N
-rxn:5:193382:222985:223000,Cc1nc(C2CCCNC2)ccc1-c1ccc(S(=O)(=O)N2CCOCC2)c(-c2ccc(C3CCCNC3)c(F)c2)c1,XYNGPYGPNWIDEC-UHFFFAOYSA-N
-rxn:5:193382:222986:225683,Cc1cc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3ccc(C4CCCOC4)nc3C)c2)cc(C2CCCNC2)n1,BCXHFYAGAMWASS-UHFFFAOYSA-N
-rxn:5:193382:222987:227438,Cc1nc(C2CCNCC2)ccc1-c1ccc(S(=O)(=O)N2CCOCC2)c(-c2ccnc(C3CCOC3)c2)c1,LZLVMPCDXFCTNW-UHFFFAOYSA-N
-rxn:5:193382:222987:227656,Cc1nc(C2CCNCC2)ccc1-c1ccc(S(=O)(=O)N2CCOCC2)c(-c2cc(N3CCOCC3)cs2)c1,FPSBKYIXWMRPQA-UHFFFAOYSA-N
-rxn:5:193382:223001:227432,Cc1nc(C2COC2)ccc1-c1cc(-c2cc(C3CCCNC3)ccc2F)ccc1S(=O)(=O)N1CCOCC1,YAIYXXQQGFCEQK-UHFFFAOYSA-N
-rxn:5:193382:223002:227086,O=S(=O)(c1ccc(-c2ccc(C3CCNCC3)cc2F)cc1-c1ccnc(C2CCCC2)c1)N1CCOCC1,HNQXCRFKDXOSNR-UHFFFAOYSA-N
-rxn:5:193382:223008:225684,Cc1nc(C2CCOCC2)ccc1-c1cc(-c2cc(C3CCNCC3)ccc2F)ccc1S(=O)(=O)N1CCOCC1,LJJCLADXXOXENH-UHFFFAOYSA-N
-rxn:5:193382:223058:227506,O=[N+]([O-])/C=C/c1cccc(-c2cc(-c3cc(F)nc(C4CCCNC4)c3)ccc2S(=O)(=O)N2CCOCC2)c1,GBZGZCLRONVXDT-CSKARUKUSA-N
-rxn:5:193382:223058:227507,O=[N+]([O-])C=Cc1cccc(-c2cc(-c3cc(F)nc(C4CCCNC4)c3)ccc2S(=O)(=O)N2CCOCC2)c1,GBZGZCLRONVXDT-UHFFFAOYSA-N
-rxn:5:193382:223062:223142,O=S(=O)(c1ccc(-c2cnc(C3CCNCC3)cc2F)cc1-c1ccc(C2CCCNC2)nc1)N1CCOCC1,KVVGNGHQFJZMRZ-UHFFFAOYSA-N
-rxn:5:193382:223063:223062,O=S(=O)(c1ccc(-c2cc(F)nc(C3CCNCC3)c2)cc1-c1cnc(C2CCNCC2)cc1F)N1CCOCC1,JLESUXODEKEQCK-UHFFFAOYSA-N
-rxn:5:193382:223136:223135,O=S(=O)(c1ccc(-c2ccncc2C2CCCNC2)cc1-c1cccnc1C1CCCNC1)N1CCOCC1,QFAVMMWLIUPOSS-UHFFFAOYSA-N
-rxn:5:193382:223192:227612,CNS(=O)(=O)c1cc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3cnn(C4CCCCO4)c3)c2)ccc1F,XAIVQPGMKBYVRL-UHFFFAOYSA-N
-rxn:5:193382:223201:222987,Cc1nc(C2CCNCC2)ccc1-c1cc(-c2ccccc2C2CCNC2)ccc1S(=O)(=O)N1CCOCC1,ZKMZOMDYCATRAO-UHFFFAOYSA-N
-rxn:5:193382:223201:225874,O=S(=O)(c1ccc(-c2ccccc2C2CCNC2)cc1-c1ccc(F)c(N2CCOCC2)c1)N1CCOCC1,NFPFZJOSYQPTOA-UHFFFAOYSA-N
-rxn:5:193382:225640:225980,CC1CCCCN1c1cc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3cc(N4CCOCC4)ncc3F)c2)ccn1,HTDXIDPECUEACU-UHFFFAOYSA-N
-rxn:5:193382:225641:225657,Cc1cc(-c2cc(-c3ccnc(N4CCCC(C)C4)c3)ccc2S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1,YVSAFPSGZMFCNQ-UHFFFAOYSA-N
-rxn:5:193382:225641:225982,CC1CCCN(c2cc(-c3ccc(S(=O)(=O)N4CCOCC4)c(-c4cnc(N5CCOCC5)cc4F)c3)ccn2)C1,OWVOVBHZBTUSTQ-UHFFFAOYSA-N
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-rxn:5:193382:225661:225978,Cc1cc(N2CCOCC2)ccc1-c1ccc(S(=O)(=O)N2CCOCC2)c(-c2ccc(N3CCOCC3)nc2F)c1,CJEWGFGULSSDMZ-UHFFFAOYSA-N
-rxn:5:193382:225926:226649,O=S(=O)(c1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3cccnc3N3CCOCC3)c2)cc1)N1CCC1,QRURJCLLMHZSNH-UHFFFAOYSA-N
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-rxn:5:193382:226180:225803,Cc1cc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3ccnc(OC4CCOCC4)c3)c2)cc(C2CCCC2)n1,GXUUMETWSJUSRD-UHFFFAOYSA-N
-rxn:5:193382:226188:227278,Cc1cc([Si](C)(C)C)c(C)cc1-c1ccc(S(=O)(=O)N2CCOCC2)c(-c2ccc(C3(C#N)CC3)nc2)c1,UQHFRQBUNVOXBX-UHFFFAOYSA-N
-rxn:5:193382:226413:223002,O=S(=O)(c1ccc(-c2cccc(N3CCOCC3)c2)cc1-c1ccc(C2CCNCC2)cc1F)N1CCOCC1,OTIRGDKFWLLISG-UHFFFAOYSA-N
-rxn:5:193382:226413:223134,O=S(=O)(c1ccc(-c2cccc(N3CCOCC3)c2)cc1-c1cnccc1C1CCCNC1)N1CCOCC1,CWGOAHICGGARED-UHFFFAOYSA-N
-rxn:5:193382:226413:223140,O=S(=O)(c1ccc(-c2cccc(N3CCOCC3)c2)cc1-c1ccnc(C2CCCNC2)c1)N1CCOCC1,NOEHHRJHOCKTQS-UHFFFAOYSA-N
-rxn:5:193382:226447:222998,O=S(=O)(c1ccc(-c2ccnc(C3CCOCC3)c2)cc1-c1cc(F)cc(C2CCCNC2)c1)N1CCOCC1,HJXDDGFKUQCQAP-UHFFFAOYSA-N
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-rxn:5:193382:226654:228870,COC(=O)c1csc(-c2cc(-c3csc(N4CCC(C)CC4)n3)ccc2S(=O)(=O)N2CCOCC2)c1,HGSYATVBVPPFTK-UHFFFAOYSA-N
-rxn:5:193382:227432:222956,Cc1ccc(-c2cc(-c3ccc(C4COC4)nc3C)ccc2S(=O)(=O)N2CCOCC2)c(C2CCCNC2)c1,JJFZABFZEVIDIQ-UHFFFAOYSA-N
-rxn:5:193382:227437:226366,O=S(=O)(c1ccc(-c2ccnc(C3CCCO3)c2)cc1-c1ccnc(N2CCCCC2)c1)N1CCOCC1,PHOCSLOHQQIPBZ-UHFFFAOYSA-N
-rxn:5:193382:227506:223058,O=[N+]([O-])/C=C/c1cccc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3cc(F)nc(C4CCCNC4)c3)c2)c1,UAAKMOGLGOFGON-CSKARUKUSA-N
-rxn:5:193382:227507:223058,O=[N+]([O-])C=Cc1cccc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3cc(F)nc(C4CCCNC4)c3)c2)c1,UAAKMOGLGOFGON-UHFFFAOYSA-N
-rxn:5:193382:227517:222958,Cc1ccc(-c2cc(-c3ccc(OC4COC4)nc3)ccc2S(=O)(=O)N2CCOCC2)cc1C1CCNCC1,DZPFJESHWUCDEG-UHFFFAOYSA-N
-rxn:5:193382:227612:223192,CNS(=O)(=O)c1cc(-c2cc(-c3cnn(C4CCCCO4)c3)ccc2S(=O)(=O)N2CCOCC2)ccc1F,BXMQSYVIIICWKN-UHFFFAOYSA-N
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-rxn:5:193382:227992:222987,Cc1nc(C2CCNCC2)ccc1-c1cc(-c2ccc(C3COC3)cc2)ccc1S(=O)(=O)N1CCOCC1,IJLHFICXVUJOTL-UHFFFAOYSA-N
-rxn:5:193465:227507:223064,C[C@H]1CCCN1C(=O)c1cccc(-c2ccc(C3CCNCC3)nc2F)c1-c1cccc(C=C[N+](=O)[O-])c1,PKYBEPBPQBVMRE-FQEVSTJZSA-N
-rxn:5:193541:225803:222986,Cc1cc(-c2cc(CN3CCCCC3)cc(-c3ccnc(OC4CCOCC4)c3)c2)cc(C2CCCNC2)n1,FZKICZCGAIEZOJ-UHFFFAOYSA-N
-rxn:5:193598:223010:227682,CC1CN(C(=O)c2cc(-c3ccc(C4(O)CCOCC4)cc3)ccc2-c2cc(C#N)cc([N+](=O)[O-])c2)CCO1,UZCYAGBPLMCHMA-UHFFFAOYSA-N
-rxn:5:193652:227432:225832,Cc1nc(C2COC2)ccc1-c1ccc(C2=NC(=Cc3ccc(-c4c(C)nn(C5CCCCO5)c4C)cc3)C(=O)O2)cc1,KHGAAGBHQXNNOX-UHFFFAOYSA-N
-rxn:5:193681:223058:227291,CN(C)Cc1ccc(-c2ccc(-c3cc(F)nc(C4CCCNC4)c3)cc2OC2CCN(C)CC2)cc1F,QJGBYAMOPGSTCP-UHFFFAOYSA-N
-rxn:5:193681:223058:227303,CN(C)Cc1cccc(-c2ccc(-c3cc(F)nc(C4CCCNC4)c3)cc2OC2CCN(C)CC2)c1F,WXBZHDPZCZGTPW-UHFFFAOYSA-N
-rxn:5:193681:223061:227291,CN(C)Cc1ccc(-c2ccc(-c3cc(C4CCNCC4)ncc3F)cc2OC2CCN(C)CC2)cc1F,ABFQFNICLDMNSC-UHFFFAOYSA-N
-rxn:5:193681:223064:227291,CN(C)Cc1ccc(-c2ccc(-c3ccc(C4CCNCC4)nc3F)cc2OC2CCN(C)CC2)cc1F,FLEUURVEFDBWMW-UHFFFAOYSA-N
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-rxn:5:193681:225636:227710,CC1CCN(c2cc(-c3ccc(-c4ccc(OS(C)(=O)=O)cc4)c(OC4CCN(C)CC4)c3)ccn2)CC1,PYESFQSXSZRAHG-UHFFFAOYSA-N
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-rxn:5:193681:227291:223061,CN(C)Cc1ccc(-c2ccc(-c3cc(C4CCNCC4)ncc3F)c(OC3CCN(C)CC3)c2)cc1F,LNOKNQANZINLKA-UHFFFAOYSA-N
-rxn:5:193681:227291:223064,CN(C)Cc1ccc(-c2ccc(-c3ccc(C4CCNCC4)nc3F)c(OC3CCN(C)CC3)c2)cc1F,RSNYWCULQSZTTR-UHFFFAOYSA-N
-rxn:5:193681:227301:223002,CN(C)Cc1cc(F)ccc1-c1ccc(-c2ccc(C3CCNCC3)cc2F)c(OC2CCN(C)CC2)c1,HWBZTYTYMPXRMC-UHFFFAOYSA-N
-rxn:5:193681:227301:223058,CN(C)Cc1cc(F)ccc1-c1ccc(-c2cc(F)nc(C3CCCNC3)c2)c(OC2CCN(C)CC2)c1,JSDASWJRVLXCFI-UHFFFAOYSA-N
-rxn:5:193681:227301:223061,CN(C)Cc1cc(F)ccc1-c1ccc(-c2cc(C3CCNCC3)ncc2F)c(OC2CCN(C)CC2)c1,KWXFSWDGFXGXSX-UHFFFAOYSA-N
-rxn:5:193681:227301:223064,CN(C)Cc1cc(F)ccc1-c1ccc(-c2ccc(C3CCNCC3)nc2F)c(OC2CCN(C)CC2)c1,UZHCASPOJUMBTM-UHFFFAOYSA-N
-rxn:5:193681:227710:223064,CN1CCC(Oc2cc(-c3ccc(OS(C)(=O)=O)cc3)ccc2-c2ccc(C3CCNCC3)nc2F)CC1,RPTPDHUHCKDLAL-UHFFFAOYSA-N
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-rxn:5:193754:227655:226592,CC1CCN(C(=O)c2cccc(-c3cc(F)c(F)c(N(C)C)c3)c2-c2cc(F)c(F)cc2OC(C)C)CC1,RPMTUYSSGRVJAC-UHFFFAOYSA-N
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-rxn:5:193756:225806:226177,CC1CCCCN1C(=O)c1ccc(-c2cnc(OC3CCCC3)cc2F)cc1-c1ccnc(C2CCCCC2)c1,CRRWAIGLLOOPLX-UHFFFAOYSA-N
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-rxn:5:193756:226437:227025,CCc1ncc(C2CC2)cc1-c1cc(-c2cc(C3CCCC3)ncc2F)ccc1C(=O)N1CCCCC1C,UOBCKSQDNNGQGK-UHFFFAOYSA-N
-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:5:193756:226842:226611,CCc1ccc(C(F)(F)F)cc1-c1cc(-c2cncc(C(=O)C(F)(F)F)c2)ccc1C(=O)N1CCCCC1C,MXWZUXIEEMQXSG-UHFFFAOYSA-N
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-rxn:5:193756:227025:225605,CCc1ncc(C2CC2)cc1-c1ccc(C(=O)N2CCCCC2C)c(-c2cc(C)cnc2OC2CCCC2)c1,BJDKXCLQTDYFKT-UHFFFAOYSA-N
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-rxn:5:193756:227968:225640,CC1CCCCN1C(=O)c1ccc(-c2cnccc2C2CCC2)cc1-c1ccnc(N2CCCCC2C)c1,MXTIVDJQYWTYPZ-UHFFFAOYSA-N
-rxn:5:193756:228323:225641,CCOc1nccc(-c2ccc(C(=O)N3CCCCC3C)c(-c3ccnc(N4CCCC(C)C4)c3)c2)c1F,LCDSXEGOZDKBEP-UHFFFAOYSA-N
-rxn:5:193807:223061:227303,CC1CCN(Cc2cccc(-c3cccc(CN(C)C)c3F)c2-c2cc(C3CCNCC3)ncc2F)CC1,SBXPDHFNVUTYFX-UHFFFAOYSA-N
-rxn:5:193807:223062:227298,CC1CCN(Cc2cccc(-c3cc(F)ccc3CN(C)C)c2-c2cnc(C3CCNCC3)cc2F)CC1,DBCLHJYJTPYLOW-UHFFFAOYSA-N
-rxn:5:193807:223062:227301,CC1CCN(Cc2cccc(-c3ccc(F)cc3CN(C)C)c2-c2cnc(C3CCNCC3)cc2F)CC1,MGVUGJMJLQDYKL-UHFFFAOYSA-N
-rxn:5:193807:223064:227303,CC1CCN(Cc2cccc(-c3cccc(CN(C)C)c3F)c2-c2ccc(C3CCNCC3)nc2F)CC1,AARFCSYWILQKLU-UHFFFAOYSA-N
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-rxn:5:193809:223062:227303,CC1CCN(Cc2ccc(-c3cnc(C4CCNCC4)cc3F)cc2-c2cccc(CN(C)C)c2F)CC1,TWCVFTGZLGSTGT-UHFFFAOYSA-N
-rxn:5:193809:223063:227303,CC1CCN(Cc2ccc(-c3cc(F)nc(C4CCNCC4)c3)cc2-c2cccc(CN(C)C)c2F)CC1,XAOZKWCBUFPFMK-UHFFFAOYSA-N
-rxn:5:193809:225976:227303,CC1CCN(Cc2ccc(-c3ccnc(N4CCOCC4)c3F)cc2-c2cccc(CN(C)C)c2F)CC1,DCOZGQLJMLNOLV-UHFFFAOYSA-N
-rxn:5:193809:225980:227303,CC1CCN(Cc2ccc(-c3cc(N4CCOCC4)ncc3F)cc2-c2cccc(CN(C)C)c2F)CC1,HHIYRSRKTCNGNW-UHFFFAOYSA-N
-rxn:5:193809:227303:223062,CC1CCN(Cc2ccc(-c3cccc(CN(C)C)c3F)cc2-c2cnc(C3CCNCC3)cc2F)CC1,GJCFGLPOUXQWMK-UHFFFAOYSA-N
-rxn:5:193809:227303:225976,CC1CCN(Cc2ccc(-c3cccc(CN(C)C)c3F)cc2-c2ccnc(N3CCOCC3)c2F)CC1,CWZLUFBYSIQKRA-UHFFFAOYSA-N
-rxn:5:193809:227303:225980,CC1CCN(Cc2ccc(-c3cccc(CN(C)C)c3F)cc2-c2cc(N3CCOCC3)ncc2F)CC1,GDOALUDZYMCRHF-UHFFFAOYSA-N
-rxn:5:193869:222959:227922,CCc1cc(OC)ccc1-c1cc(S(=O)(=O)N2CCCCC2)c(-c2ccc(C3CCNCC3)c(C)c2)cc1C,LMEHBVFHPXZNCA-UHFFFAOYSA-N
-rxn:5:193869:226330:226591,Cc1cc(-c2ccc(C(C)N3CCCC3)s2)c(S(=O)(=O)N2CCCCC2)cc1-c1ccc(OC(C)C)c(F)c1F,QPQPBDKEHXMLSM-UHFFFAOYSA-N
-rxn:5:193869:227517:223148,Cc1cc(-c2ccc(OC3COC3)nc2)c(S(=O)(=O)N2CCCCC2)cc1-c1ccccc1C1CNCCO1,WZQIUGPDJFBZMA-UHFFFAOYSA-N
-rxn:5:193870:223148:227438,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2ccnc(C3CCOC3)c2)cc1-c1ccccc1C1CNCCO1,ZJVDCFRAFWBSGW-UHFFFAOYSA-N
-rxn:5:193870:223148:227517,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2ccc(OC3COC3)nc2)cc1-c1ccccc1C1CNCCO1,IEDOLYQYNMOVTL-UHFFFAOYSA-N
-rxn:5:193870:227611:226335,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2ccc(C3COC3)c(C#N)c2)cc1-c1ccnn1C1CCCCO1,HWPAHCQAAIJQHL-UHFFFAOYSA-N
-rxn:5:193932:225591:225886,CC1CC(C)CN(C(=O)c2ccc(-c3ccc4c(ccn4S(C)(=O)=O)c3)c(-c3cc(CN4CCCC4)ccc3F)c2)C1,YUFPEUSMJQFINQ-UHFFFAOYSA-N
-rxn:5:193932:225811:225886,CC1CC(C)CN(C(=O)c2ccc(-c3ccc4c(ccn4S(C)(=O)=O)c3)c(-c3ccc(C4(C(F)(F)F)CC4)cc3)c2)C1,SXBWPOUCCQEANI-UHFFFAOYSA-N
-rxn:5:193967:228653:227298,CN(C)Cc1ccc(F)cc1-c1cc(-c2cnn3c2CCCC3)ccc1CN1CCC2(CC1)OCCO2,PFVZJJNTRKLWRV-UHFFFAOYSA-N
-rxn:5:193968:225880:228172,CCOc1cccc(-c2ccc(-c3cc(C4CCOCC4)ncc3F)cc2CN2CCC3(CC2)OCCO3)c1F,HVLPQDVCHIFRJU-UHFFFAOYSA-N
-rxn:5:193968:228653:227298,CN(C)Cc1ccc(F)cc1-c1ccc(-c2cnn3c2CCCC3)cc1CN1CCC2(CC1)OCCO2,GODBDFNDBHJTLM-UHFFFAOYSA-N
-rxn:5:193968:228653:227301,CN(C)Cc1cc(F)ccc1-c1ccc(-c2cnn3c2CCCC3)cc1CN1CCC2(CC1)OCCO2,MSYLFGQLKLKKDO-UHFFFAOYSA-N
-rxn:5:193968:228695:227686,COc1ccc(-c2ccc(-c3csc(CN(C)C)c3)cc2CN2CCC3(CC2)OCCO3)cc1[N+](=O)[O-],ROOYTFMWFFXHRC-UHFFFAOYSA-N
-rxn:5:193968:228879:227298,CN(C)Cc1ccc(F)cc1-c1ccc(-c2ccnn2C2COC2)cc1CN1CCC2(CC1)OCCO2,YWNCHAPNSAFMOA-UHFFFAOYSA-N
-rxn:5:193972:226335:227611,Cc1cc(-c2ccc(C3COC3)c(C#N)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccnn1C1CCCCO1,WYTOIMWOPBJQNY-UHFFFAOYSA-N
-rxn:5:194688:226147:225798,COc1cc(-c2ccc(OC3CCOCC3)nc2)cc2c1OCC(=O)N(c1ccc(-c3c(C)cc(OC(C)C)cc3C)cc1)C2,MQIZQNQQDTVJBT-UHFFFAOYSA-N
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-rxn:5:197876:226031:227313,CCC(C)c1cc(-c2cc3c(cc2-c2ccc(C(F)(F)F)cc2C(F)F)S(=O)(=O)N(C(C)(C)C)C3=O)c(F)cn1,XBDHUCANYJRJHH-UHFFFAOYSA-N
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-rxn:5:197876:226068:227659,Cc1cc(C(C)(C)C)cc(C)c1-c1cc2c(cc1-c1cccc(C(F)(F)F)c1C)C(=O)N(C(C)(C)C)S2(=O)=O,QCKMDSMLNHMLGV-UHFFFAOYSA-N
-rxn:5:197876:226068:227912,COC(C)c1ccc(-c2cc3c(cc2-c2c(C)cc(C(C)(C)C)cc2C)S(=O)(=O)N(C(C)(C)C)C3=O)cc1,GCNYNSXMBWBTND-UHFFFAOYSA-N
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-rxn:5:197876:226085:227520,CC(C)Oc1cc(F)c(-c2cc3c(cc2-c2ccc4c(c2)CCC(C)(C)O4)S(=O)(=O)N(C(C)(C)C)C3=O)cn1,JDRPSDMSGIVGGJ-UHFFFAOYSA-N
-rxn:5:197876:226137:227102,CC(C)c1ncc(C2CC2)cc1-c1cc2c(cc1-c1cc(C(C)(C)C)ccc1F)C(=O)N(C(C)(C)C)S2(=O)=O,FGNVWMMQUPNVGE-UHFFFAOYSA-N
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-rxn:5:197876:226189:228430,CSc1cc(F)c(-c2cc3c(cc2-c2ccc(C4CCCC4)c(F)c2)S(=O)(=O)N(C(C)(C)C)C3=O)c(F)c1,BUTCTQUJSUGTGR-UHFFFAOYSA-N
-rxn:5:197876:226190:227018,CC(C)(C#N)c1ccc(-c2cc3c(cc2-c2ccc(C4CCCC4)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1,OQQNDGRSCYOVRK-UHFFFAOYSA-N
-rxn:5:197876:226320:228563,CC(C)Cc1csc(-c2cc3c(cc2-c2cc(C4(C#N)CC4)ccc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,NQMFGYOQICQNAF-UHFFFAOYSA-N
-rxn:5:197876:226325:227941,COCc1cc(C)cc(-c2cc3c(cc2-c2ccc(C(C)(C)C#N)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,JBWGWDWKWHTZBQ-UHFFFAOYSA-N
-rxn:5:197876:226325:227947,Cc1cc(C#N)cc(C)c1-c1cc2c(cc1-c1ccc(C(C)(C)C#N)cc1F)S(=O)(=O)N(C(C)(C)C)C2=O,SCEJZLMFOKAZHS-UHFFFAOYSA-N
-rxn:5:197876:226326:227018,CC(C)(C#N)c1ccc(-c2cc3c(cc2-c2cccc(C4(C#N)CC4)c2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1,DIVBQJQGQCULRX-UHFFFAOYSA-N
-rxn:5:197876:226326:227963,CC(C)(C)c1cc(-c2cc3c(cc2-c2cccc(C4(C#N)CC4)c2F)S(=O)(=O)N(C(C)(C)C)C3=O)ccn1,QALOHVQIIDHCRP-UHFFFAOYSA-N
-rxn:5:197876:226328:227861,CC(C)(C#N)c1ccc(-c2cc3c(cc2-c2cnc4c(c2)CCCC4)C(=O)N(C(C)(C)C)S3(=O)=O)cc1F,JYHUHVXNIOBWQX-UHFFFAOYSA-N
-rxn:5:197876:226441:227124,CC(C)(C)c1ccc(-c2cc3c(cc2-c2ccc(N4CCCC4)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c(F)c1,LYBNDYMOMIWOHR-UHFFFAOYSA-N
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-rxn:5:197876:226589:227044,CC(C)c1cnc(C(F)F)cc1-c1cc2c(cc1-c1ccc(C(=O)C3CC3)cc1)C(=O)N(C(C)(C)C)S2(=O)=O,GNASVLLSANICHV-UHFFFAOYSA-N
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-rxn:5:197876:226591:226926,Cc1cc(C(C)(C)C)ccc1-c1cc2c(cc1-c1ccc(OC(C)C)c(F)c1F)S(=O)(=O)N(C(C)(C)C)C2=O,IIDXEHBFFPXWDI-UHFFFAOYSA-N
-rxn:5:197876:226593:227904,CCN(C)c1ccc(-c2cc3c(cc2-c2c(F)ccc(OC(C)C)c2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1,GKLJZGZJHKGZCY-UHFFFAOYSA-N
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-rxn:5:197876:226611:227898,CCc1ccc(C(F)(F)F)cc1-c1cc2c(cc1-c1cncc(CC(C)C)c1)C(=O)N(C(C)(C)C)S2(=O)=O,CFVJUIOLNCOWRG-UHFFFAOYSA-N
-rxn:5:197876:226679:227978,CC(C)c1ccc(F)c(-c2cc3c(cc2-c2cnc(N4CCCC4)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,VDGGRGNLXTXXPD-UHFFFAOYSA-N
-rxn:5:197876:226709:227971,Cc1cc(C(F)(F)F)cc(C)c1-c1cc2c(cc1-c1cnccc1C(C)(C)C)C(=O)N(C(C)(C)C)S2(=O)=O,OYGOSBRKJDWCOJ-UHFFFAOYSA-N
-rxn:5:197876:226710:226910,CCC(C)(C)c1ccc(-c2cc3c(cc2-c2ccc(F)c([Si](C)(C)C)c2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1,GZJHXFBMBOWJLY-UHFFFAOYSA-N
-rxn:5:197876:226740:228268,CSc1c(-c2cc3c(cc2-c2cccc(C(F)(F)F)c2C#N)S(=O)(=O)N(C(C)(C)C)C3=O)ccc(C)c1F,HDFJTDFSOZKPKS-UHFFFAOYSA-N
-rxn:5:197876:226745:228009,CCc1ncc(C(F)(F)F)cc1-c1cc2c(cc1-c1ccc(C3CC3)c(F)c1)C(=O)N(C(C)(C)C)S2(=O)=O,HLEZBKITIHGKBQ-UHFFFAOYSA-N
-rxn:5:197876:226750:228567,CCC(C)c1sccc1-c1cc2c(cc1-c1cc(C(F)(F)F)ccc1OC)S(=O)(=O)N(C(C)(C)C)C2=O,JDKOLSFVYWHGAQ-UHFFFAOYSA-N
-rxn:5:197876:226753:227940,CCc1cc(SC)cc(-c2cc3c(cc2-c2ccc(OC)cc2C(F)(F)F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,GSTMOBOAOMLFOQ-UHFFFAOYSA-N
-rxn:5:197876:226766:228263,Cc1ccc(OC(F)(F)F)c(-c2cc3c(cc2-c2ccc(C(C)(F)F)cc2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,CIXCSFCVKKVQJK-UHFFFAOYSA-N
-rxn:5:197876:226768:226969,CSc1ccc(-c2cc3c(cc2-c2ccc4c(c2)CCCC4=O)C(=O)N(C(C)(C)C)S3(=O)=O)cc1C(F)(F)F,OJYYATYXSZXGIQ-UHFFFAOYSA-N
-rxn:5:197876:226826:228247,CC(=O)c1ccc(F)c(-c2cc3c(cc2-c2cc(C)cc(C(F)(F)F)c2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,UIFJWOVYAOQXIK-UHFFFAOYSA-N
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-rxn:5:197876:226875:227978,CC(C)c1ccc(F)c(-c2cc3c(cc2-c2cc(F)c(OC(F)F)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,HYRQCKGQLUDSEM-UHFFFAOYSA-N
-rxn:5:197876:226882:226068,Cc1cc(C(C)(C)C)cc(C)c1-c1cc2c(cc1-c1ccc(C(F)(F)F)c(F)c1F)S(=O)(=O)N(C(C)(C)C)C2=O,BKCUJZYHBMFLDJ-UHFFFAOYSA-N
-rxn:5:197876:226883:223231,CNC(=O)c1ccc(-c2cc3c(cc2-c2c(F)ccc(C(F)(F)F)c2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1C,BOISWZLBMKMHJE-UHFFFAOYSA-N
-rxn:5:197876:226883:223354,CNC(=O)c1ccc(-c2cc3c(cc2-c2c(F)ccc(C(F)(F)F)c2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1,FGCFPJGIVSIPEV-UHFFFAOYSA-N
-rxn:5:197876:226887:227950,Cc1ccc(N(C)C)cc1-c1cc2c(cc1-c1ccc(F)c(C(F)(F)F)c1F)S(=O)(=O)N(C(C)(C)C)C2=O,HTAAPNVCSRNPLV-UHFFFAOYSA-N
-rxn:5:197876:226887:228610,CC(C)(C)c1ccc(-c2cc3c(cc2-c2ccc(F)c(C(F)(F)F)c2F)S(=O)(=O)N(C(C)(C)C)C3=O)s1,KOUZXBDEJBWNEE-UHFFFAOYSA-N
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-rxn:5:197876:226917:226915,Cc1cc(-c2cc3c(cc2-c2ccc(C4CCCC4)cc2)C(=O)N(C(C)(C)C)S3(=O)=O)cc(C(C)(C)C)c1,IBONOWUXHJOONT-UHFFFAOYSA-N
-rxn:5:197876:226917:227749,Cc1cc(-c2cc3c(cc2-c2cc(F)cc(C(F)(F)F)c2)C(=O)N(C(C)(C)C)S3(=O)=O)cc(C(C)(C)C)c1,ZYMYMNQGSWEVOA-UHFFFAOYSA-N
-rxn:5:197876:226920:227785,Cc1ccc(C(C)(C)C)cc1-c1cc2c(cc1-c1ccc(F)nc1C(F)(F)F)C(=O)N(C(C)(C)C)S2(=O)=O,QXAKVBUOVSWVCD-UHFFFAOYSA-N
-rxn:5:197876:226923:227661,Cc1cc(C(F)(F)F)ccc1-c1cc2c(cc1-c1cc(C)c(C3CC3)cc1C)S(=O)(=O)N(C(C)(C)C)C2=O,YRVQWRMDVPEQJZ-UHFFFAOYSA-N
-rxn:5:197876:226925:227660,Cc1ccc(C(F)(F)F)cc1-c1cc2c(cc1-c1cc(C3CC3)cc(C)c1C)S(=O)(=O)N(C(C)(C)C)C2=O,FWJYEHMXACGMAR-UHFFFAOYSA-N
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-rxn:5:197876:226959:226973,CC1(C)Cc2cc(-c3cc4c(cc3-c3ccc5c(c3)C(C)(C)CO5)C(=O)N(C(C)(C)C)S4(=O)=O)ccc2O1,SIYLSMLGBXSITH-UHFFFAOYSA-N
-rxn:5:197876:226959:227297,CN(C)Cc1ccc(F)c(-c2cc3c(cc2-c2ccc4c(c2)CC(C)(C)O4)S(=O)(=O)N(C(C)(C)C)C3=O)c1,HZCFWQYHOQXGJU-UHFFFAOYSA-N
-rxn:5:197876:227019:226432,CC(C)(C#N)c1cccc(-c2cc3c(cc2-c2ccc(C4CCCC4)nc2F)C(=O)N(C(C)(C)C)S3(=O)=O)c1,LIRVXCDNROWLHZ-UHFFFAOYSA-N
-rxn:5:197876:227039:227660,Cc1ccc(C(F)(F)F)cc1-c1cc2c(cc1-c1ccc(OC(C)(C)C)cc1)S(=O)(=O)N(C(C)(C)C)C2=O,FPKNWCHEUHKRHU-UHFFFAOYSA-N
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