diff --git "a/B1WC68_molecules.csv" "b/B1WC68_molecules.csv"
--- "a/B1WC68_molecules.csv"
+++ "b/B1WC68_molecules.csv"
@@ -80848,3 +80848,2472 @@ rxn:5:227939:178295:227313,CCC(C)c1cc(-c2ccc(-c3ccccc3C(C)OC)c(C3(C(=O)OC)CCC(=O
 rxn:5:227941:178295:223230,COCc1cc(C)cc(-c2ccc(-c3ccc(NC(C)=O)cc3C)cc2C2(C(=O)OC)CCC(=O)CC2)c1,RNLCNICTXFNFSX-UHFFFAOYSA-N
 rxn:5:227976:178295:227591,COC(=O)C1(c2cc(-c3ccc(C(F)F)cc3OC)ccc2-c2ccc([Si](C)(C)C)cc2)CCC(=O)CC1,FKEZFIBFBCJIRS-UHFFFAOYSA-N
 rxn:5:227983:178295:227409,COC(=O)C1(c2cc(-c3cc(C(C)(C)C)ncc3F)ccc2-c2ccccc2[Si](C)(C)C)CCC(=O)CC1,HNEOTUGTHJGDMC-UHFFFAOYSA-N
+rxn:4:173357:222724,CCOC(=O)CC(=O)c1ccc(OC)c(-c2cnc(N3CCNCC3)c(C(F)(F)F)c2)c1,ZKIBERNELBRPRF-UHFFFAOYSA-N
+rxn:4:173390:223831,COCCCOc1cc(-c2ccc(OC)c(S(=O)(=O)N3CCC(C)CC3)c2)ccc1C(C)=O,HMONAUDCVASKJB-UHFFFAOYSA-N
+rxn:4:173401:224719,COC(=O)C(C(=O)OC)c1cc(-c2cn(C(=O)OC(C)(C)C)nc2C(C)C)ccc1OC,NQGADSFEMJEZJW-UHFFFAOYSA-N
+rxn:4:173456:222684,CC(C)(C)OC(=O)CC(=O)Cc1ccc(-c2ccc(OCCN3CCNCC3)c(Cl)c2)cc1,OBNUSVBDZNFNGK-UHFFFAOYSA-N
+rxn:4:173532:224425,CCCC1CCC(c2ccccc2-c2cc(C(=O)OC(C)(C)C)ccc2OCC(C)C)CC1,GMEBUMFWVSPVOV-UHFFFAOYSA-N
+rxn:4:173650:222933,CCOC(=O)C(C)Oc1ccc2c(c1)OC(=Cc1cccc(-c3cnc(NC(=O)OC(C)(C)C)nc3)c1)C2=O,GMNYRQFTDDRWQV-UHFFFAOYSA-N
+rxn:4:173680:223279,CCOC(=O)c1c(C)oc2cc(-c3cnc(C4CCCN4)nc3)c(OC(=O)C3CCCCC3)cc12,NLJBEBVWIBBFDT-UHFFFAOYSA-N
+rxn:4:173706:222540,CCCC(=O)c1cc2c(cc(-c3cccc(C(=O)NCCN4CCCCC4)c3)c3oc(C)c(C(=O)OCC)c32)oc1=O,SFNRJWXETDDWDN-UHFFFAOYSA-N
+rxn:4:173723:222521,CC(C)(C)OC(=O)Nc1cc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)cc(C(F)(F)F)c1,ONFFBSMVDCNANE-UHFFFAOYSA-N
+rxn:4:173723:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc3)c2)CC1,KMMUVZJPPLUNAT-UHFFFAOYSA-N
+rxn:4:173723:224360,COC(=O)c1ccc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)n1C(=O)OC(C)(C)C,SEBQCIGRNUTYRI-UHFFFAOYSA-N
+rxn:4:173802:222916,O=C(NC1=NCCS1)c1cccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)c1,CRHMKFIXLHGVBE-UHFFFAOYSA-N
+rxn:4:173802:223047,O=C(NC1CC1)c1cc(F)cc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)c1,XDJZQRBTPWACEI-UHFFFAOYSA-N
+rxn:4:173802:223092,CN(C)S(=O)(=O)Nc1cccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)c1,NCKHHUXKRXFHKU-UHFFFAOYSA-N
+rxn:4:173802:223489,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc3)cc2)CC1,GUCYNDNEMMHQLH-UHFFFAOYSA-N
+rxn:4:173802:224409,O=S(=O)(OC(c1ccc(-c2cc(OCC(F)(F)F)cc(C(F)(F)F)c2)cc1)C(F)(F)F)C(F)(F)F,ZEXGWLGLVNOXSD-UHFFFAOYSA-N
+rxn:4:173802:225186,O=S(=O)(OC(c1ccc(-c2ccc(F)c(CN3CCSCC3)c2)cc1)C(F)(F)F)C(F)(F)F,SRQZTGWJWQIGHE-UHFFFAOYSA-N
+rxn:4:173802:225263,COC(=O)c1cc(C(=O)OC)cc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)c1,LHVYLUHTHRAYIF-UHFFFAOYSA-N
+rxn:4:173802:225308,O=S(=O)(OC(c1ccc(-c2cc(C(F)(F)F)cc(C3CC3)c2Cl)cc1)C(F)(F)F)C(F)(F)F,PVKGQZKLGNMCDI-UHFFFAOYSA-N
+rxn:4:173802:225826,CN1CCN(c2cncc(-c3ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc3)c2)CC1,QDJZNGVEAASDNN-UHFFFAOYSA-N
+rxn:4:173802:226050,O=S(=O)(OC(c1ccc(-c2c(F)cc(OC(F)(F)F)cc2F)cc1)C(F)(F)F)C(F)(F)F,PHEYHJFJSOQEQB-UHFFFAOYSA-N
+rxn:4:173803:222633,O=C(NCCN1CCCC1)c1ccc(-c2cc(OCC(F)(F)C(F)(F)F)cc(C(F)(F)F)c2)cc1,SGLJMWYOAWNUOW-UHFFFAOYSA-N
+rxn:4:173889:223698,CCCC(=O)CSc1cccc(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCCC3)c2)c1,UROROMIDTMUMEW-UHFFFAOYSA-N
+rxn:4:174068:224392,CCOC(=O)CC(=O)c1ccc(-c2cc(S(=O)(=O)N3CCOCC3)ccc2C)c(C)c1F,MWQGWKQLEGGOSZ-UHFFFAOYSA-N
+rxn:4:174164:222511,CCOC(=O)C(C)(C)Oc1c(F)cc(-c2cc(C(=O)NC3CCCCC3)cc([N+](=O)[O-])c2)cc1F,VGZPPWCVWATMNJ-UHFFFAOYSA-N
+rxn:4:174285:223831,COCc1c(-c2ccc(OC(F)(F)F)cc2)cccc1-c1ccc(OC)c(S(=O)(=O)N2CCC(C)CC2)c1,NXXNCHSMRHRELP-UHFFFAOYSA-N
+rxn:4:174406:224941,COC(=O)C1(c2ccc(-c3ccc(CCN4CCOCC4)cc3)cc2)CC(OC)(OC)C1,LABYZDAUQVFTJT-UHFFFAOYSA-N
+rxn:4:174446:223970,COC(=O)c1cc(-c2ccc(C)c(S(=O)(=O)N3CCC(C)CC3)c2)c(-c2ccc(F)cc2)cc1OC(C)C,FZQFPTCVDAESNX-UHFFFAOYSA-N
+rxn:4:174495:223583,COC(=O)c1ccc2c(-c3cc(C(=O)OC(C)(C)C)cc(-c4ccccc4OC)c3)cn(C(=O)OC(C)(C)C)c2c1,JQJZGYACIFQNLA-UHFFFAOYSA-N
+rxn:4:174518:222906,CC(C)[Si](Oc1ccc(F)c(-c2cnccc2NC(=O)OC(C)(C)C)c1)(C(C)C)C(C)C,OFHTWAKWHZIYSR-UHFFFAOYSA-N
+rxn:4:174528:224842,COc1ccc(C)c(-c2c(C(C)C)cc(C(C)C)cc2C(C)C)c1-c1ccc2c(c1)C(C)(C)CCC2(C)C,JCGKXBWYWGOARO-UHFFFAOYSA-N
+rxn:4:174592:223842,COC(=O)c1c(C)oc2cc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCC(C)CC3)c(OCc3c(F)cccc3Cl)cc12,SCQLFIINIYLNHD-UHFFFAOYSA-N
+rxn:4:174593:223847,CCCCCC1CCC(c2ccc(-c3cc4oc(C)c(C(=O)OC)c4cc3OC(=O)C(C)(C)C)cc2)CC1,YHCQSDVJFOSHTR-UHFFFAOYSA-N
+rxn:4:174603:224420,COC(=O)C(C)Oc1ccc2c(c1)OC(=Cc1ccc(-c3cc4c(cc3C)C(C)(C)CCC4(C)C)cc1)C2=O,LVGREXYDSQMNRT-UHFFFAOYSA-N
+rxn:4:174656:222843,Cc1ccc(-c2cccc3cccc(C#C[Si](C(C)C)(C(C)C)C(C)C)c23)c(C(=O)NC(C)(C)C)c1,QCWJHVRESDIKIS-UHFFFAOYSA-N
+rxn:4:174656:223999,CC1CCN(S(=O)(=O)c2ccc(F)c(-c3cccc4cccc(C#C[Si](C(C)C)(C(C)C)C(C)C)c34)c2)CC1,XDVXQFABPQXGIH-UHFFFAOYSA-N
+rxn:4:174746:223698,O=S(=O)(c1cc(-c2cc(OCC(F)F)cc(C(F)(F)F)c2)ccc1OC(F)(F)F)N1CCCC1,NNUBGJUIHGYBOC-UHFFFAOYSA-N
+rxn:4:175095:223873,Cc1ccc(-c2ccccc2CCC(=O)N2CCC(C)CC2)cc1OCC(F)(F)C(F)(F)F,JPPFRJBPBSPIJQ-UHFFFAOYSA-N
+rxn:4:175896:224056,CCC[C@H]1CC[C@H](c2ccc(-c3ccc(C(=O)OC)cc3OC3CCCCO3)c(F)c2)CC1,BCMDSMRTAQXWQO-DKFXBIDSSA-N
+rxn:4:176050:225221,COc1cc(C2OCCCO2)c(-c2cc(N3CCCC(C)C3)ncc2F)c(OC)c1OC,NHZNTTALDVKIJX-UHFFFAOYSA-N
+rxn:4:176182:223928,CC(C)c1cc(C(C)C)c(-c2ccccc2-c2cnc3c(c2)CN(C(=O)OC(C)(C)C)CC3)c(C(C)C)c1,VCXHVLJIBQMHGP-UHFFFAOYSA-N
+rxn:4:176204:222724,CCOC(=O)C1=Cc2cc(-c3cnc(N4CCNCC4)c(C(F)(F)F)c3)cc(OC)c2OC1,JIEOCEXMIYHXDO-UHFFFAOYSA-N
+rxn:4:176254:222679,CCOc1ccc2c(c1)OC(=Cc1cc(-c3cc(NC(=O)OC(C)(C)C)ccc3OC)ccc1OC)C2=O,NPCCNEQVLNTLEY-UHFFFAOYSA-N
+rxn:4:176262:223888,CC(C)C(=O)Oc1ccc2c(c1)OC(=Cc1cccc(-c3ccc4c(c3)N(C(=O)OC(C)(C)C)CCC4)c1)C2=O,PGEVZAPWAADSNL-UHFFFAOYSA-N
+rxn:4:176269:223844,CC(C)=CCOc1ccc2c(c1)OC(=Cc1ccc(-c3ccc(S(=O)(=O)N4CCCC4)cc3C(F)(F)F)cc1)C2=O,QYJGBJUKFONOQZ-UHFFFAOYSA-N
+rxn:4:176306:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2ccc(C=C3Oc4cc(OC(=O)C5CCCCC5)ccc4C3=O)cc2)cc1,BLEJDCSYYUMJDQ-UHFFFAOYSA-N
+rxn:4:176338:223559,C#Cc1ccc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)cc1OC(F)F,SEAROLGMCWQEMV-UHFFFAOYSA-N
+rxn:4:176444:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(OC(F)(F)F)cc3C(F)(F)F)cc2)CC1,YGMKFVGQVAZYEO-IYARVYRRSA-N
+rxn:4:176911:223697,Cc1cccc(OCC(F)(F)F)c1-c1ccc(S(=O)(=O)N2CCCCC2)cc1C(F)(F)F,JGCJTOSXBFUGJY-UHFFFAOYSA-N
+rxn:4:176937:223679,CCN1CCN(S(=O)(=O)c2c(C)cc(-c3cc(OC(F)(F)F)ccc3S(C)(=O)=O)cc2C)CC1,YHHAVFWHCLPQQH-UHFFFAOYSA-N
+rxn:4:177151:223559,CCC(=O)c1ccc(OC)c(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)c1,ASNIZMZYPWCQOD-UHFFFAOYSA-N
+rxn:4:177179:223541,COC(=O)Cc1cc(C)c(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC3(CC2)OCCO3)cc1F,CDSLZSPZCUANMB-UHFFFAOYSA-N
+rxn:4:177394:223954,CC(C)Oc1c(Cl)cc(C(F)(F)F)cc1-c1ccc(OCCN2CCC(=O)CC2)c(F)c1,UTFTUMOCXLQGIA-UHFFFAOYSA-N
+rxn:4:177524:223521,CC(c1cccc(-c2ccc(OCC3CC(F)(F)C3)c(Cl)c2)c1)N1CCN(C(=O)OC(C)(C)C)CC1,NYUFDTUEAVWNKV-UHFFFAOYSA-N
+rxn:4:177838:223810,CCOc1ccc(C2OCCO2)cc1-c1cc(C)c(S(=O)(=O)N2CCC(C)CC2)c(C)c1,DJYDEOQTLKHJSZ-UHFFFAOYSA-N
+rxn:4:178025:223815,COc1cc(C2OCCO2)cc(-c2ccc(Cl)c(CN3CCC4(CC3)OCCO4)c2)c1OC,GULHBCLIIZUOMC-UHFFFAOYSA-N
+rxn:4:178293:224059,COC(=O)C1(c2ccccc2-c2cc(C(C)(C)C)cc(C(C)(C)C)c2OC)CCC(=O)CC1,AMVCSBJHGGIOTM-UHFFFAOYSA-N
+rxn:4:178307:223541,CC(C)(C)[Si](C)(C)Oc1cccc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC3(CC2)OCCO3)c1,CAJJFWRJTZOMDB-UHFFFAOYSA-N
+rxn:4:178381:223738,CC(C)(C)c1cc(C(C)(C)C)c(-c2ccc3cc(O[Si](C)(C)C(C)(C)C)ccc3c2)c(C(C)(C)C)c1,PNZLRBSPKCLOAG-UHFFFAOYSA-N
+rxn:4:178382:222908,CC(C)(C)OC(=O)Nc1cncc(-c2cc(C(C)(C)C)c(C(C)(C)C)c(C(C)(C)C)c2)c1,WFWOFTSDOFWEQL-UHFFFAOYSA-N
+rxn:4:178384:225226,CC1CCN(c2cc(-c3c(C4CCCCC4)cc(C4CCCCC4)cc3C3CCCCC3)c(F)cn2)CC1,VUZVPSMJNNDSNS-UHFFFAOYSA-N
+rxn:4:178384:225833,Fc1c(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)ccnc1N1CCCCC1,BBYSGKJGQSWEIA-UHFFFAOYSA-N
+rxn:4:178384:227247,CCCOc1cc(F)ccc1-c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1,IZWQDJCMSQXXCJ-UHFFFAOYSA-N
+rxn:4:178384:229025,Cc1cc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c(C)n1C,ZRYYXPRMYFPLFI-UHFFFAOYSA-N
+rxn:4:178384:229175,Fc1c(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)ccnc1Cl,TWRKGCPOUDGWAT-UHFFFAOYSA-N
+rxn:4:178457:223996,CCOC(=O)C1=Cc2cc(-c3ccc(N4CCN(C)CC4)cc3C(F)(F)F)ccc2OC1,JHZZKJRUQWZRFI-UHFFFAOYSA-N
+rxn:4:178597:225708,COc1nc2ccc(Cl)cc2cc1-c1ccc(OC(=O)C2OC3OC(C)(C)OC3C3OC(C)(C)OC23)cc1,XGYMOLYNKNMTCJ-UHFFFAOYSA-N
+rxn:4:178597:227503,CC(C)Oc1cc(-c2ccc(OC(=O)C3OC4OC(C)(C)OC4C4OC(C)(C)OC34)cc2)c(F)cn1,RDQVKPURBQMEBR-UHFFFAOYSA-N
+rxn:4:178597:227956,Cc1cc(-c2ccc(OC(=O)C3OC4OC(C)(C)OC4C4OC(C)(C)OC34)cc2)cc(C(C)C)n1,BQOARJIXNCRTOW-UHFFFAOYSA-N
+rxn:4:179427:223503,CC(C)(C)OC(=O)N1CCC(Oc2cc(F)c(-c3ccc(C(=O)C4CC4)c(F)c3)c(F)c2)CC1,DTJGRBSPAUGEOS-UHFFFAOYSA-N
+rxn:4:179718:223606,COc1c(F)c(SC)cc(C)c1-c1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)c(F)c1,WOGSSNIISOUWFZ-UHFFFAOYSA-N
+rxn:4:179900:223599,CC(C)(C)OC(=O)n1c(-c2cc(C3OCCO3)cc(C(F)(F)F)c2)cc2cc(C(F)(F)F)ccc21,HCTZQQKPLCXHBG-UHFFFAOYSA-N
+rxn:4:180792:222850,CCOC1CCC2(CC1)Cc1ccc(-c3cc(C4CCNCC4)ccc3C#N)cc1C2=O,DIHAZZXTDCSWTQ-UHFFFAOYSA-N
+rxn:4:180855:223903,CC(C)(C)c1ccc2c(c1)C1(c3ccccc3-c3ccc(-c4ccccc4CCC(=O)N4CCC(=O)CC4)cc31)c1cc(C(C)(C)C)ccc1-2,VVXXUDSXHVIVFT-UHFFFAOYSA-N
+rxn:4:181543:223491,CC(C)(C)OC(=O)N1CCN(c2cc(-c3ccc(C4COC4)cc3F)cc(C(F)(F)F)c2)CC1,QEKOXRGZOJTMMO-UHFFFAOYSA-N
+rxn:4:181768:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(C4=CC(=O)C=CC4=O)cc3)c(F)cc2C)CC1,MKXNDBWZMGSJDP-UHFFFAOYSA-N
+rxn:4:182359:224666,COC1CCC2(CC1)Oc1ccc(-c3ccc(F)c(CN4CCN(C)CC4)c3)cc1C2=O,BGZRJYGFJJIXNF-UHFFFAOYSA-N
+rxn:4:182360:222658,O=C(NC1CCCCC1)c1cc(F)cc(-c2ccc3c(c2)C(=O)CC(C2CCCOC2)O3)c1,IBTIKJWFDNWWFF-UHFFFAOYSA-N
+rxn:4:182376:222776,CO[C@H]1[C@H](C)C[C@@]2(Cc3ccc(-c4ccc(CN5CCC(O)CC5)cc4F)cc3C2=O)C[C@@H]1C,ZKXURUNOVXCLEW-UBHXRJOGSA-N
+rxn:4:182376:222850,CO[C@H]1[C@H](C)C[C@@]2(Cc3ccc(-c4cc(C5CCNCC5)ccc4C#N)cc3C2=O)C[C@@H]1C,ZWLRDLQYGLEWPQ-UBHXRJOGSA-N
+rxn:4:182376:224883,CO[C@H]1[C@H](C)C[C@@]2(Cc3ccc(-c4ccc(C(C)N5CCCCC5)cc4)cc3C2=O)C[C@@H]1C,SZLOLENGIGCBQC-SVQDFSSBSA-N
+rxn:4:182407:223562,CC(C)(C)OC(=O)N1CCC(Cc2ccc(-c3ccc4c(c3)C(C)(C)c3cc(C(C)(C)C)ccc3-4)cc2)CC1,HTBGAXWWCHUWHY-UHFFFAOYSA-N
+rxn:4:182409:222623,CCC(C)c1cc(-c2ccc3cc(C45CC6CC(CC(C6)C4)C5)ccc3c2)cc(C2CCNCC2)n1,RWQNGPBXTKDGKT-UHFFFAOYSA-N
+rxn:4:182416:223275,CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1ccc(-c2ccc(-c3ncc[nH]3)nc2)cc1,ILBRSJNSBKEXKY-UHFFFAOYSA-N
+rxn:4:182681:223506,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cccc(-c3ccc4c(c3)OC(F)(F)O4)c2)CC1,PNVQMQLRBYBYDU-UHFFFAOYSA-N
+rxn:4:183111:223491,CC(C)(C)OC(=O)N1CCN(c2cc(-c3ccc4c(c3)C(=O)OC4(C)C)cc(C(F)(F)F)c2)CC1,NYMUZWLTBRHMFW-UHFFFAOYSA-N
+rxn:4:183123:223596,Cc1ccc(-c2ccc(Cl)cc2N2CCN(C(=O)OC(C)(C)C)CC2)c2c1OCCC2=O,VLDWYCNLNRLYAR-UHFFFAOYSA-N
+rxn:4:183196:223531,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc4c(c3)OCC(F)(F)C(F)(F)CO4)cc2Cl)CC1,VRRMFNHFFPCKHB-UHFFFAOYSA-N
+rxn:4:183273:222388,O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1cccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,FSEXZOQJLTZJTF-UHFFFAOYSA-N
+rxn:4:183273:222394,O=C(N[C@H]1CC[C@H](O)CC1)c1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1,BQQKXSZVYYPSPF-QVYRIUEQSA-N
+rxn:4:183273:222395,O=C(NC1CCC(O)CC1)c1cccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,WXHSYICRZOZTHD-UHFFFAOYSA-N
+rxn:4:183273:222397,O=C(NCCc1c[nH]cn1)c1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1,VCAGIFXEHNBWCH-UHFFFAOYSA-N
+rxn:4:183273:222398,Cc1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)ccc1NC(=O)NC1CC1,NSFALDWXNZMIHH-UHFFFAOYSA-N
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+rxn:4:183273:223118,CCCC(=O)Nc1cccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,ICRZOOMFIZAMJR-UHFFFAOYSA-N
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+rxn:4:183273:223210,COc1cccc2[nH]c(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc12,LCHAIFJTMQSCPM-UHFFFAOYSA-N
+rxn:4:183273:223218,Cc1c(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)ccc2c1NCCO2,URKRSNZEVXJIAE-UHFFFAOYSA-N
+rxn:4:183273:223226,CCC(=O)Nc1cccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,BKVOYYOSRHDHLC-UHFFFAOYSA-N
+rxn:4:183273:223258,COC(=O)Nc1cccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,IACSTBNCHWLUSH-UHFFFAOYSA-N
+rxn:4:183273:223297,Cc1ccc2[nH]c(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc2c1,VWHYPPBHWKNVGV-UHFFFAOYSA-N
+rxn:4:183273:223301,Cc1cc2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc2[nH]1,ZGCAQTJTQIEJQK-UHFFFAOYSA-N
+rxn:4:183273:223309,CC(C)Nc1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1,IYFVKJQJJGEGIF-UHFFFAOYSA-N
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+rxn:4:183273:223324,Cc1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc2[nH]ncc12,KLYKCOWZLZHPDG-UHFFFAOYSA-N
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+rxn:4:183273:223358,CC(=O)Nc1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1,WDAYGYZBOJLYKR-UHFFFAOYSA-N
+rxn:4:183273:223368,Clc1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c2cn[nH]c12,WOMPZLJOZVTSFE-UHFFFAOYSA-N
+rxn:4:183273:223372,Clc1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c2[nH]ncc12,BPMJIHRERBSYEF-UHFFFAOYSA-N
+rxn:4:183273:223425,ON=Cc1ccccc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,AOAKTHCJVAWGLI-UHFFFAOYSA-N
+rxn:4:183273:223426,O/N=C/c1cccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,BFJUQEBBVLOMLT-LHLOQNFPSA-N
+rxn:4:183273:223427,O/N=C/c1ccccc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,AOAKTHCJVAWGLI-LHLOQNFPSA-N
+rxn:4:183273:223428,O/N=C\c1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1,OBGDNKCBCMQYIU-QOMWVZHYSA-N
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+rxn:4:183273:223475,CC(C)(C)[Si](Oc1cccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1)(c1ccccc1)c1ccccc1,SLEMSNDSDHHWHA-UHFFFAOYSA-N
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+rxn:4:183273:223485,c1ccc(N(c2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc2)c2ccc3ccccc3c2)cc1,QPUFNTBFGUSZFZ-UHFFFAOYSA-N
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+rxn:4:183273:223510,CC1(C)c2ccccc2-c2ccc(-c3ccc(-c4ccc5c(c4)OCCOCCOCCOCCOCCOCCO5)cc3)cc21,AHKKJZMGEWDNML-UHFFFAOYSA-N
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+rxn:4:183273:223563,COc1cc(COc2c(C)cc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc2C)cc(OC)c1,HWSGWAQTROMKGA-UHFFFAOYSA-N
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+rxn:4:183273:223572,CC1CCN(S(=O)(=O)c2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)c3ccccc23)CC1,ZKBHQINTGDIAAH-UHFFFAOYSA-N
+rxn:4:183273:223580,COC(=O)c1ccc2c(c1)cc(-c1ccc3c(c1)OCCOCCOCCOCCOCCOCCO3)n2C(=O)OC(C)(C)C,MKQGFOOWSMNKPW-UHFFFAOYSA-N
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+rxn:4:183273:223627,c1ccc(N(c2ccccc2)c2cccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)c2)cc1,TZCCVHXAEQLCPU-UHFFFAOYSA-N
+rxn:4:183273:223629,Clc1ccc(OCc2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc2)c2ccccc12,XUSAYKUQTUONLH-UHFFFAOYSA-N
+rxn:4:183273:223631,Clc1c(OCc2ccccc2)ccc2cc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)ccc12,KODKBNZUQDSZJW-UHFFFAOYSA-N
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+rxn:4:183273:223665,FC(F)(F)Oc1ccc(OCc2ccccc2-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1,KBMCGTWLBSMXCL-UHFFFAOYSA-N
+rxn:4:183273:223681,CC(C)(C)OC(=O)n1c(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc2cc([N+](=O)[O-])ccc21,OGKRTJREXQCQIN-UHFFFAOYSA-N
+rxn:4:183273:223690,COC(=O)c1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cn1S(=O)(=O)c1ccc(C)cc1,MXSCJYHCFWQVHJ-UHFFFAOYSA-N
+rxn:4:183273:223696,O=S(=O)(c1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1)N1CCC2(CC1)OCCO2,NJWYGYZQINEUGU-UHFFFAOYSA-N
+rxn:4:183273:223698,O=S(=O)(c1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)ccc1OC(F)(F)F)N1CCCC1,WPCDUOVYYUVTRB-UHFFFAOYSA-N
+rxn:4:183273:223715,c1ccc2c(OCc3ccc(-c4ccc5c(c4)OCCOCCOCCOCCOCCOCCO5)cc3)cccc2c1,OEGJXDLYMARCFX-UHFFFAOYSA-N
+rxn:4:183273:223716,c1ccc(COc2c(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)ccc3ccccc23)cc1,PHRZPRXNCLLXNU-UHFFFAOYSA-N
+rxn:4:183273:223717,c1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c(COc2cccc3ccccc23)c1,VBLVNRJMWJSLFE-UHFFFAOYSA-N
+rxn:4:183273:223718,c1ccc(COc2ccc3ccccc3c2-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1,MGPMZJOGTIBUOQ-UHFFFAOYSA-N
+rxn:4:183273:223721,c1cc(COc2cccc3ccccc23)cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,KKSVHRKWLQKCII-UHFFFAOYSA-N
+rxn:4:183273:223722,CC(C)CCOc1ccc(-c2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc2)cc1,KQQSOGUIZALPGJ-UHFFFAOYSA-N
+rxn:4:183273:223724,CCCC(C)Oc1ccc(-c2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc2)cc1,FHGXJWXONJMCEB-UHFFFAOYSA-N
+rxn:4:183273:223730,Cc1ccc(C(C)C)c(OCc2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc2)c1,RJXPYOPCPUCJIF-UHFFFAOYSA-N
+rxn:4:183273:223742,CCN(Cc1ccccc1)C(=O)c1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1,BEALAYCGAZSFDQ-UHFFFAOYSA-N
+rxn:4:183273:223745,CN(CCc1ccccc1)C(=O)c1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1,SWDDOHONWBGOJZ-UHFFFAOYSA-N
+rxn:4:183273:223746,COC(=O)c1ccc(C#Cc2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc2)cc1,AFECKFJCFXHJRX-UHFFFAOYSA-N
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+rxn:4:183273:223762,COC(=O)c1c(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c(C)n(Cc2ccccc2)c1C,QDSITZQORMYPLZ-UHFFFAOYSA-N
+rxn:4:183273:223763,c1ccc(Cc2nc(-c3ccc(-c4ccc5c(c4)OCCOCCOCCOCCOCCOCCO5)cc3)no2)cc1,QRDAEBRBUYIMLT-UHFFFAOYSA-N
+rxn:4:183273:223765,Cc1ccc(-c2nc(-c3ccc(-c4ccc5c(c4)OCCOCCOCCOCCOCCOCCO5)cc3)no2)cc1,ZCEZDYQFLXTWSY-UHFFFAOYSA-N
+rxn:4:183273:223778,O=S(=O)(c1ccccc1)n1c(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc2ccccc21,PLRSOUCUNHNKMM-UHFFFAOYSA-N
+rxn:4:183273:223779,O=S(=O)(c1ccccc1)n1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c2ccccc21,SUHIYLWJFKAQDF-UHFFFAOYSA-N
+rxn:4:183273:223780,O=S(=O)(c1ccccc1)n1ccc2c(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cccc21,MQNQYJOMSBEXRD-UHFFFAOYSA-N
+rxn:4:183273:223781,O=S(=O)(c1ccccc1)n1ccc2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc21,VUIKIWRZGKDDSV-UHFFFAOYSA-N
+rxn:4:183273:223782,O=S(=O)(c1ccccc1)n1ccc2cc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)ccc21,QDRSMQCJDHMCDY-UHFFFAOYSA-N
+rxn:4:183273:223783,O=S(=O)(c1ccccc1)n1ccc2cccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)c21,OGZOXZYHJDGCHY-UHFFFAOYSA-N
+rxn:4:183273:223794,FC(F)(F)c1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)ccc1OCc1ccccc1,FNTZCUOMJBKTOL-UHFFFAOYSA-N
+rxn:4:183273:223849,CCCCCc1ccc(-c2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc2)cc1,BGRWHBHQGWPLBP-UHFFFAOYSA-N
+rxn:4:183273:223857,CCCCn1c2ccccc2c2cc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)ccc21,ANPTVVDVTOWSJN-UHFFFAOYSA-N
+rxn:4:183273:223861,CCCCOc1ccc(-c2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc2)cc1,VJYULGDBRMGRQC-UHFFFAOYSA-N
+rxn:4:183273:223863,CC(C)COc1ccc(-c2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc2)cc1,NCVBODLJOKNDSY-UHFFFAOYSA-N
+rxn:4:183273:223892,CN1CCN(CCCOc2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc2)CC1,HXSMHJIOFIEFTF-UHFFFAOYSA-N
+rxn:4:183273:223909,O=C(OCc1ccccc1)c1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1F,XZHQVJVEAVQDGU-UHFFFAOYSA-N
+rxn:4:183273:223913,COc1ccc(Cl)cc1COc1ccccc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,JABPLABDJRVLOX-UHFFFAOYSA-N
+rxn:4:183273:223914,COc1ccc(Cl)cc1COc1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1,CUUOYYGLZGFLCM-UHFFFAOYSA-N
+rxn:4:183273:223937,CC(C)(C)OC(=O)n1c(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc2cccc(Cl)c21,ZUFUCNUMPBNKHP-UHFFFAOYSA-N
+rxn:4:183273:223977,CC(C)(C)OC(=O)c1ccc(C(F)(F)F)cc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,FYHDFALZTCJQLR-UHFFFAOYSA-N
+rxn:4:183273:223979,O=C(c1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc([N+](=O)[O-])c1)N1CCCCC1,QBJZXKXNLJTTOY-UHFFFAOYSA-N
+rxn:4:183273:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)c2)CC1,TYWNDYFTHNNQIW-UHFFFAOYSA-N
+rxn:4:183273:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc2)CC1,ISWXZQKAJWDNKS-UHFFFAOYSA-N
+rxn:4:183273:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc2)CC1,HTDSTEBFUULJLL-UHFFFAOYSA-N
+rxn:4:183273:224008,O=C(c1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc([N+](=O)[O-])c1)N1CCOCC1,SXHKNFTUMGNBES-UHFFFAOYSA-N
+rxn:4:183273:224022,c1cc(C23CC4CC(CC(C4)C2)C3)ccc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,GIRUZICSMANUSP-UHFFFAOYSA-N
+rxn:4:183273:224034,CCCCc1ccc(-c2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc2)cc1,HGXHTACPNLLTIM-UHFFFAOYSA-N
+rxn:4:183273:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc2)CC1,PWFPLHROJARTPN-OGESRWMOSA-N
+rxn:4:183273:224036,CC(C)(C)c1ccc(-c2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc2)cc1,LDFGWMIXVJEYEN-UHFFFAOYSA-N
+rxn:4:183273:224040,c1ccc(Cn2ccc3cc(-c4ccc5c(c4)OCCOCCOCCOCCOCCOCCO5)ccc32)cc1,MNALPOUPRMLQQU-UHFFFAOYSA-N
+rxn:4:183273:224042,c1ccc2c(c1)CCN2Cc1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1,HFOMHJTUHAYDOP-UHFFFAOYSA-N
+rxn:4:183273:224048,CCCOc1ccc(-c2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc2)cc1,AGBUFFNQKVOQGV-UHFFFAOYSA-N
+rxn:4:183273:224054,CC(C)Oc1ccc(-c2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc2)cc1,NCAMEPALLYFDHN-UHFFFAOYSA-N
+rxn:4:183273:224069,CC(C)(C)c1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc(-c2ccccn2)c1,BBYUUGDNZDILLS-UHFFFAOYSA-N
+rxn:4:183273:224071,C[Si](C)(C)c1ccc(-c2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc2)cc1,QOYQLIVFIJBAAJ-UHFFFAOYSA-N
+rxn:4:183273:224072,COCCCOc1ccc2cc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)ccc2c1,CGFISCUKKXUUPP-UHFFFAOYSA-N
+rxn:4:183273:224079,Cc1ccc2nc(-c3ccc(-c4ccc5c(c4)OCCOCCOCCOCCOCCOCCO5)cc3)cn2c1,QMVIJQZJXFYMAE-UHFFFAOYSA-N
+rxn:4:183273:224084,N#Cc1cccc(COc2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc2)c1,CNYULHKRHURFIQ-UHFFFAOYSA-N
+rxn:4:183273:224085,N#Cc1ccccc1COc1cccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,NHNDVOGDFJKVCT-UHFFFAOYSA-N
+rxn:4:183273:224093,N#Cc1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1OCc1ccccc1,YVBBEVCSBXVGDJ-UHFFFAOYSA-N
+rxn:4:183273:224098,N#Cc1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)ccc1OCc1ccccc1,KTCCKBJMHZPCHS-UHFFFAOYSA-N
+rxn:4:183273:224099,N#Cc1ccccc1CSc1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1,WAQBMRVDMPXOLD-UHFFFAOYSA-N
+rxn:4:183273:224103,O=C(OCc1ccccc1)c1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1,HJYJYZGVQYMCRE-UHFFFAOYSA-N
+rxn:4:183273:224104,COc1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)ccc1OCc1ccccc1,RMEFODYOSWNIKO-UHFFFAOYSA-N
+rxn:4:183273:224105,COc1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1OCc1ccccc1,YVNOPJCGPWZWAK-UHFFFAOYSA-N
+rxn:4:183273:224108,COc1ccc(COc2ccccc2-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1,RRODAGWOMLSKHH-UHFFFAOYSA-N
+rxn:4:183273:224110,COc1ccc(COc2cccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)c2)cc1,OMGMFRBCTUELOX-UHFFFAOYSA-N
+rxn:4:183273:224114,Fc1ccc(OCCc2ccccc2)c(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,YMUXNYNHILPOPE-UHFFFAOYSA-N
+rxn:4:183273:224121,CSc1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1OCc1ccccc1,IARUFQRRGPDZJY-UHFFFAOYSA-N
+rxn:4:183273:224128,CN(C(=O)c1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1)C1CCCCC1,QAGHQOIKHIBYFF-UHFFFAOYSA-N
+rxn:4:183273:224153,c1cc2c(cc1-c1cc(N3CCCC3)cc(N3CCCC3)c1)OCCOCCOCCOCCOCCOCCO2,IRCWTVOKCNPCKP-UHFFFAOYSA-N
+rxn:4:183273:224169,c1cc(OCCCN2CCOCC2)cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,WUUCWRBFOHWTFK-UHFFFAOYSA-N
+rxn:4:183273:224174,CCN(C(=O)OC(C)(C)C)c1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1,BMYYKFYPKQFHQM-UHFFFAOYSA-N
+rxn:4:183273:224175,COc1ccc(C(=O)OCC(C)(C)C)c(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,TVQTYKDZGZYFSG-UHFFFAOYSA-N
+rxn:4:183273:224184,O=c1ccn(CCOc2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc2)cc1,QVCCPXIERNUDHY-UHFFFAOYSA-N
+rxn:4:183273:224245,Cc1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c(-c2cccc([N+](=O)[O-])c2)c1,PYZSPPKDXPZOMV-UHFFFAOYSA-N
+rxn:4:183273:224248,CC1CCN(C(=O)c2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc2Cl)CC1,ABOAAYVTOPXWNX-UHFFFAOYSA-N
+rxn:4:183273:224259,FC(F)(F)c1ccc(-c2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc2)cc1,XSQDBLNGMRIEEI-UHFFFAOYSA-N
+rxn:4:183273:224262,FC(F)(F)c1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)ccc1-c1ccccc1,QDIIBRYBXIQXQT-UHFFFAOYSA-N
+rxn:4:183273:224266,FC(F)(F)c1ccc(-c2ccccc2-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1,OSOONKDBGIOVHP-UHFFFAOYSA-N
+rxn:4:183273:224273,CC(C)(C)OC(=O)n1c(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc2ncccc21,CZBVSQTYCVGDPH-UHFFFAOYSA-N
+rxn:4:183273:224281,COc1cc(OC)c2cc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)c(OC)nc2c1,XHFXHDCWSMNZKM-UHFFFAOYSA-N
+rxn:4:183273:224297,O=[N+]([O-])c1ccc(Sc2ccccc2)c(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,PHWHFMUXROOMSG-UHFFFAOYSA-N
+rxn:4:183273:224298,O=[N+]([O-])c1ccc(Sc2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc2)cc1,XTOQJXXZPXNATO-UHFFFAOYSA-N
+rxn:4:183273:224299,O=[N+]([O-])c1ccc([Se]c2ccccc2)c(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,CLVXKOGLPPIHGQ-UHFFFAOYSA-N
+rxn:4:183273:224300,COc1cc(C(=O)N2CCSCC2)ccc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,FIMHDUDVQLHXIJ-UHFFFAOYSA-N
+rxn:4:183273:224319,Cc1cc(S(=O)(=O)N2CCCCC2)ccc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,AVBJGONTQYYYFM-UHFFFAOYSA-N
+rxn:4:183273:224328,CC1CCCCN1S(=O)(=O)c1cccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,VAZXYXUYDNALBG-UHFFFAOYSA-N
+rxn:4:183273:224332,FC(F)(F)c1ccc(-c2cccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)c2)nc1,SKYDLPWZXULGHF-UHFFFAOYSA-N
+rxn:4:183273:224333,FC(F)(F)c1ccnc(-c2cccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)c2)c1,DOHONLZOXOYGET-UHFFFAOYSA-N
+rxn:4:183273:224339,FC(F)(F)c1cccc(-c2cc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)ccn2)c1,VDAOAMNPPXQOEQ-UHFFFAOYSA-N
+rxn:4:183273:224344,FC(F)(F)c1ccccc1-c1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cn1,UJXHJWCFMMQLPQ-UHFFFAOYSA-N
+rxn:4:183273:224370,CC(C)OC(=O)c1ccc(C(F)(F)F)cc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,KUOIHAXUWCALBC-UHFFFAOYSA-N
+rxn:4:183273:224373,COc1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1S(=O)(=O)N1CCCC1,UJIKIJVFEFGZGV-UHFFFAOYSA-N
+rxn:4:183273:224375,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1,CVSURKUEDDMTCL-UHFFFAOYSA-N
+rxn:4:183273:224385,FC(F)(F)c1ccccc1-c1ncc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cn1,XVPIKBHLDLDOKI-UHFFFAOYSA-N
+rxn:4:183273:224386,FC(F)(F)c1cccc(-c2ncc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cn2)c1,IOUZNIKHQOZYSW-UHFFFAOYSA-N
+rxn:4:183273:224397,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc2)CC1,YYVRBKUSEUQIGE-UHFFFAOYSA-N
+rxn:4:183273:224398,Cc1cc(F)c(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1S(=O)(=O)N1CCCC1,OHRKAMLPBJAVJR-UHFFFAOYSA-N
+rxn:4:183273:224415,FC(F)(F)C(F)(F)C(F)(F)c1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)ccn1,AZXQRGVAIXWOSL-UHFFFAOYSA-N
+rxn:4:183273:224418,CC1(C)c2ccccc2-c2c(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cccc21,JBAYOYPLBNBHFQ-UHFFFAOYSA-N
+rxn:4:183273:224419,CC1(C)c2ccccc2-c2cc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)ccc21,PLRCKQOPAKSLTD-UHFFFAOYSA-N
+rxn:4:183273:224422,CCCc1ccc(-c2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc2)cc1,LNBIQMRIAWPPIN-UHFFFAOYSA-N
+rxn:4:183273:224427,CCn1c2ccccc2c2cc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)ccc21,YDCGHOJTWLJOHM-UHFFFAOYSA-N
+rxn:4:183273:224428,CCCCOc1ccc2cc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)ccc2c1,GYPOYYDHRXGJIG-UHFFFAOYSA-N
+rxn:4:183273:224430,CCC(C)Oc1ccc2cc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)ccc2c1,BOAAOZAHZMJRCH-UHFFFAOYSA-N
+rxn:4:183273:224448,Cc1cccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1OCc1ccccc1,UXCWPEUXYBUDRV-UHFFFAOYSA-N
+rxn:4:183273:224449,Cc1c(OCc2ccccc2)cccc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,CLLTWYYDKRCLLV-UHFFFAOYSA-N
+rxn:4:183273:224460,c1cc2c(cc1-c1cc(C3CC3)cc(N3CCCCC3)c1)OCCOCCOCCOCCOCCOCCO2,AMPKBUOACOLHKT-UHFFFAOYSA-N
+rxn:4:183273:224462,c1cc(C2CCN(C3CC3)CC2)ccc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,XFPZNETWBKRLDZ-UHFFFAOYSA-N
+rxn:4:183273:224463,CC(=O)c1ccc(-c2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc2)cc1,KMMUHJHYUHAMEO-UHFFFAOYSA-N
+rxn:4:183273:224466,CC(C)(C)c1cc(-c2ccoc2)cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,BEDRZNWGOFKEIL-UHFFFAOYSA-N
+rxn:4:183273:224468,CC(C)(C)c1cc(-c2ccsc2)cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,PNKGDBJKFLFJSQ-UHFFFAOYSA-N
+rxn:4:183273:224470,COCCOc1ccc2cc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)ccc2c1,ISYXOGZNBSSOND-UHFFFAOYSA-N
+rxn:4:183273:224472,CC(C)Oc1ccc2cc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)ccc2c1Cl,LOPZTXXVAFBOSE-UHFFFAOYSA-N
+rxn:4:183273:224484,CC(C)N(C(=O)c1ccccc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2)C(C)C,OCTJNWUNOHAUNY-UHFFFAOYSA-N
+rxn:4:183273:224487,c1cc(OCCN2CCCCC2)cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,UBTBSQYNFLFWBK-UHFFFAOYSA-N
+rxn:4:183273:224492,O=C(CCc1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1)N1CCCC1,ATXQAYKNPCUGPR-UHFFFAOYSA-N
+rxn:4:183273:224495,CN(Cc1ccccc1)c1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cn1,WCYQEJJIYDVGOX-UHFFFAOYSA-N
+rxn:4:183273:224499,CC(C)Cn1cc(-c2cccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)c2)cn1,KILVXFDXTHPDEM-UHFFFAOYSA-N
+rxn:4:183273:224502,CN1CCCCC1COc1cccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,JQHKBDXPBRIXNJ-UHFFFAOYSA-N
+rxn:4:183273:224509,N#Cc1ccc(Oc2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc2)cc1,SGIYJOBVACLCJP-UHFFFAOYSA-N
+rxn:4:183273:224547,Fc1ccc(COc2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc2)cc1,XDZLBQQPJBMHAA-UHFFFAOYSA-N
+rxn:4:183273:224548,Fc1cccc(COc2ccccc2-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,QRIPAKNFIHQLFM-UHFFFAOYSA-N
+rxn:4:183273:224553,Clc1cc(OCc2ccccc2)ccc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,QOWPCEYPYGVALM-UHFFFAOYSA-N
+rxn:4:183273:224558,COc1cccc(Oc2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc2)c1,JCDKFTGBIFTPEN-UHFFFAOYSA-N
+rxn:4:183273:224568,COc1cccc(Oc2ccccc2-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,PSIIHFHFAAZXDL-UHFFFAOYSA-N
+rxn:4:183273:224582,c1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc(N2CCN(C3CC3)CC2)c1,DQXGJLFXNLOVII-UHFFFAOYSA-N
+rxn:4:183273:224584,CC1CCN(C(=O)c2cccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)c2)CC1,BGKXUUCPLVGRIM-UHFFFAOYSA-N
+rxn:4:183273:224603,c1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c2cnn(C3CCCCO3)c2c1,DHWBJEPIAOCCIJ-UHFFFAOYSA-N
+rxn:4:183273:224607,C[Si](C)(C)CCOC(=O)c1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1,OZXQDXFBYFURDE-UHFFFAOYSA-N
+rxn:4:183273:224614,CN(C(=O)OC(C)(C)C)c1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1,KHPPIQIMELBBHP-UHFFFAOYSA-N
+rxn:4:183273:224622,O=C(OCc1ccccc1)n1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,GDRPWELGLYEZDE-UHFFFAOYSA-N
+rxn:4:183273:224623,COc1ccc(C(=O)OC(C)(C)C)c(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,VAJJKZNVKPHDEJ-UHFFFAOYSA-N
+rxn:4:183273:224625,CC(C)Oc1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc(Cl)c1OC(C)C,DJZXTDBATQQJDQ-UHFFFAOYSA-N
+rxn:4:183273:224633,COc1ccc(CN2CCOCC2)cc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,YUGMDNZERLRKCH-UHFFFAOYSA-N
+rxn:4:183273:224640,COc1ccccc1Oc1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cn1,WHDJULVFTPIRDX-UHFFFAOYSA-N
+rxn:4:183273:224671,CC(C)(C)c1nnc(-c2cccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)c2)o1,CNGCLJIPHHRHDT-UHFFFAOYSA-N
+rxn:4:183273:224684,O=C1CCN(C(=O)c2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc2)CC1,DQAHBJSTNPFTNH-UHFFFAOYSA-N
+rxn:4:183273:224688,O=C1CCN(Cc2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc2Cl)CC1,AKLJNIJLDUDTDS-UHFFFAOYSA-N
+rxn:4:183273:224692,O=[N+]([O-])c1cccc(-c2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc2)c1,HYRKOLDGMWQXAQ-UHFFFAOYSA-N
+rxn:4:183273:224717,O=C(OCc1ccccc1)n1nccc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,FVDAOWDHQXKLSW-UHFFFAOYSA-N
+rxn:4:183273:224725,CCN(CC)S(=O)(=O)c1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)ccc1C,CNDGQKUDHJROKQ-UHFFFAOYSA-N
+rxn:4:183273:224727,COC(=O)c1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc(OC(C)(C)C)n1,JMOFEHSSIWOGET-UHFFFAOYSA-N
+rxn:4:183273:224741,COc1cc(C2OCCO2)cc(OC)c1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,QRFRWAZFMZXNHL-UHFFFAOYSA-N
+rxn:4:183273:224760,O=S(=O)(c1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1)N1CCCCC1,VKYVNJAMWVXTEU-UHFFFAOYSA-N
+rxn:4:183273:224796,CC(C)(C)COS(=O)(=O)c1cncc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,IMGFHFOZPIJLQV-UHFFFAOYSA-N
+rxn:4:183273:224816,FC(F)(F)c1ccccc1-n1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cn1,VXQBOBHNVKUTST-UHFFFAOYSA-N
+rxn:4:183273:224825,CON(C)C(=O)c1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc([N+](=O)[O-])c1,CNRXSEAHXDPALS-UHFFFAOYSA-N
+rxn:4:183273:224844,CCc1ccc(-c2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc2)cc1,KTCUSFPXXRPGRJ-UHFFFAOYSA-N
+rxn:4:183273:224848,CC[C@H]1CC[C@H](c2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc2)CC1,LYBJIBJMISQMPA-MCZWQBSQSA-N
+rxn:4:183273:224849,c1cc2c(cc1-c1cc(C3CCCC3)cc(C3CC3)c1)OCCOCCOCCOCCOCCOCCO2,LBHMWBWHIGYJRV-UHFFFAOYSA-N
+rxn:4:183273:224850,C(=C/c1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1)\c1ccccc1,UMDQLCGWNXOXLF-VOTSOKGWSA-N
+rxn:4:183273:224851,C(=Cc1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1)c1ccccc1,UMDQLCGWNXOXLF-UHFFFAOYSA-N
+rxn:4:183273:224852,Cc1cc(C)cc(-c2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc2)c1,MZAZZICSHXVJIM-UHFFFAOYSA-N
+rxn:4:183273:224853,CC1(C)CCC(c2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc2)CC1,SXAAMUZQRVLKPG-UHFFFAOYSA-N
+rxn:4:183273:224856,Cn1c2ccccc2c2cc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)ccc21,ZLRBSGLIDKZLKZ-UHFFFAOYSA-N
+rxn:4:183273:224858,O=C1c2ccccc2-c2cccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)c21,DPUUDBACBSTRMW-UHFFFAOYSA-N
+rxn:4:183273:224860,CCCOc1ccc2cc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)ccc2c1,YYPXCTULQPHKJY-UHFFFAOYSA-N
+rxn:4:183273:224866,c1ccc(COc2ccccc2-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1,NDHHSECSAKXIAP-UHFFFAOYSA-N
+rxn:4:183273:224867,c1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)ccc1OCC1CCCCC1,GQARKRQPCVFUSE-UHFFFAOYSA-N
+rxn:4:183273:224875,c1ccc(OCc2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc2)cc1,RFPQUIZKTUBIGU-UHFFFAOYSA-N
+rxn:4:183273:224878,c1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c(COC2CCCCC2)c1,AELZCTDYOGGTIL-UHFFFAOYSA-N
+rxn:4:183273:224879,N#Cc1ccc(-c2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc2)cc1,KQCFVEMDDUWINJ-UHFFFAOYSA-N
+rxn:4:183273:224888,N#Cc1ccc(-c2cccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)c2)cc1,GSGHAIIYFOHHHU-UHFFFAOYSA-N
+rxn:4:183273:224889,N#Cc1ccc(-c2ccccc2-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1,VAXGMIKJFSVPLB-UHFFFAOYSA-N
+rxn:4:183273:224890,c1cc2c(cc1-c1cc(C3CC3)cc(N3CCCC3)c1)OCCOCCOCCOCCOCCOCCO2,DOZRLQIFHNQSCS-UHFFFAOYSA-N
+rxn:4:183273:224895,COc1ccc(-c2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc2)cc1,UTJKFOKUAGVXSL-UHFFFAOYSA-N
+rxn:4:183273:224897,COc1cccc(-c2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc2)c1,NLJHCFSTSVSMFC-UHFFFAOYSA-N
+rxn:4:183273:224901,COc1cc(-c2ccccc2)cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,NUIMOQFIEVVNLP-UHFFFAOYSA-N
+rxn:4:183273:224903,COc1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1-c1ccccc1,FSEDJRVWVKFIAH-UHFFFAOYSA-N
+rxn:4:183273:224905,CSc1ccc(-c2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc2)cc1,DKACZNBBBYSEKG-UHFFFAOYSA-N
+rxn:4:183273:224907,Cc1ccccc1Oc1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1,BASRFRWNSDKOLN-UHFFFAOYSA-N
+rxn:4:183273:224908,Cc1cccc(Oc2cccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)c2)c1,ZOEWGIPUUYZPKV-UHFFFAOYSA-N
+rxn:4:183273:224914,COc1c(-c2ccccc2)cccc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,YRURVBLMSDLWQB-UHFFFAOYSA-N
+rxn:4:183273:224917,Cc1cc(N2CCC(C)CC2)ccc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,OOVSJTIRXOLJOE-UHFFFAOYSA-N
+rxn:4:183273:224924,c1ccc2c(c1)Sc1ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc1S2,ZXAUPBCSECGMTM-UHFFFAOYSA-N
+rxn:4:183273:224925,Clc1ccc2oc3cccc(-c4ccc5c(c4)OCCOCCOCCOCCOCCOCCO5)c3c2c1,FVMDOINULVIUES-UHFFFAOYSA-N
+rxn:4:183273:224926,CCOc1cc(C)c2cc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)ccc2n1,HRVMGEPLEHQPIL-UHFFFAOYSA-N
+rxn:4:183273:224928,COC(=O)c1ccc2cc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)ccc2c1,UJEILBHYVPWPMI-UHFFFAOYSA-N
+rxn:4:183273:224929,COc1cc2ccccc2c(OC)c1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,AHAXLSAKLBQLQZ-UHFFFAOYSA-N
+rxn:4:183273:224932,COc1ccc(CN(C)C(C)C)cc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,NTELSKDFEUMWDK-UHFFFAOYSA-N
+rxn:4:183273:224935,c1coc(COCc2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc2)c1,JSUFMMFYPVJKKE-UHFFFAOYSA-N
+rxn:4:183273:224942,c1ccc(COc2ncccc2-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1,IIIQHDLEMAUBOM-UHFFFAOYSA-N
+rxn:4:183273:224948,c1cc(COc2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc2)ccn1,SUEQWFJEDRSLIR-UHFFFAOYSA-N
+rxn:4:183273:224951,c1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c(OCc2ccncc2)c1,MCPDAAUNNMGPOS-UHFFFAOYSA-N
+rxn:4:183273:224966,c1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)ccc1OCC1CCOCC1,YSXHUPRHKNVHLX-UHFFFAOYSA-N
+rxn:4:183273:224967,COC(=O)c1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc(C(C)(C)C)c1,KRKMYURUBHBPKR-UHFFFAOYSA-N
+rxn:4:183273:224974,CN1CCN(Cc2ccccc2-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)CC1,OIBSVRHWAKJVGI-UHFFFAOYSA-N
+rxn:4:183273:224977,N#Cc1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)ccc1N1CCCCC1,BCSPFDWACRKQGA-UHFFFAOYSA-N
+rxn:4:183273:224980,c1cnn(-c2cc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc(C3CC3)c2)c1,OSRYNYMLKUPZFX-UHFFFAOYSA-N
+rxn:4:183273:224981,c1cn(-c2cc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc(C3CC3)c2)cn1,LQXSCPZIMDMQPJ-UHFFFAOYSA-N
+rxn:4:183273:224985,c1cnn(-c2cc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)ccc2C2CC2)c1,CQAXKKNKRSZTFE-UHFFFAOYSA-N
+rxn:4:183273:224986,N#Cc1cc(N2CCCCC2)ccc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,LMHOJQZPXSCACQ-UHFFFAOYSA-N
+rxn:4:183273:224989,CC(C)n1cc(-c2cccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)c2)cn1,HJXDUQCCPLLDBB-UHFFFAOYSA-N
+rxn:4:183273:224990,c1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc(-c2cnn(C3CC3)c2)c1,LWQFEZYTAXEATM-UHFFFAOYSA-N
+rxn:4:183273:224991,c1cc2c(cc1-c1cc(C3CC3)nc(N3CCCC3)c1)OCCOCCOCCOCCOCCOCCO2,UWHKXOMJJGIJMY-UHFFFAOYSA-N
+rxn:4:183273:224996,COc1nccc(-c2ccccc2)c1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,CRJKSRBIXLIPCW-UHFFFAOYSA-N
+rxn:4:183273:224997,O=C(c1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1)N1CCCCC1,GWZQWHRIETXDHP-UHFFFAOYSA-N
+rxn:4:183273:225003,COc1cc(N2CCCCC2)ccc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,WFYHOAVREDEZRZ-UHFFFAOYSA-N
+rxn:4:183273:225016,c1nc(-c2cc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc(C3CC3)c2)cs1,NIQMYOKEDFRYKK-UHFFFAOYSA-N
+rxn:4:183273:225017,COc1cccc(-c2cc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)ccn2)c1,IOAOMKRBYACENX-UHFFFAOYSA-N
+rxn:4:183273:225024,COc1ccc(-c2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cn2)cc1,LFKMEWAZEOYSPD-UHFFFAOYSA-N
+rxn:4:183273:225031,Clc1ccc(Oc2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc2)cc1,QWQLAEHBJGRIJU-UHFFFAOYSA-N
+rxn:4:183273:225032,Fc1ccccc1Oc1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1,SRORIUNBGRDPIO-UHFFFAOYSA-N
+rxn:4:183273:225046,Cc1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c(-n2nc(C)cc2C)c1,CNBAEFPAFNHXFI-UHFFFAOYSA-N
+rxn:4:183273:225072,CCOC(=O)c1cc2c(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cccc2s1,IWWLXTCPIVTWJX-UHFFFAOYSA-N
+rxn:4:183273:225077,COc1cc2cc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cnc2cc1OC,MMEWJLCRJDZNTI-UHFFFAOYSA-N
+rxn:4:183273:225088,COc1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)ccc1OCCN(C)C,DGFGCPPAIGCWAS-UHFFFAOYSA-N
+rxn:4:183273:225093,CCCOc1c(Cl)cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1OCC,AMRNCIZMXHMVQR-UHFFFAOYSA-N
+rxn:4:183273:225096,c1cn(CCOc2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc2)cn1,DVBMCISPGZUZNC-UHFFFAOYSA-N
+rxn:4:183273:225098,c1cc(OCCN2CCCC2)ncc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,TYQYFDAKPFWNPE-UHFFFAOYSA-N
+rxn:4:183273:225099,c1cc(OCCn2ccnc2)cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,WJIBLFQZDJUDQE-UHFFFAOYSA-N
+rxn:4:183273:225130,N#Cc1ccc(-c2ncc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cn2)cc1,LUMUSUFIDLTQGH-UHFFFAOYSA-N
+rxn:4:183273:225131,c1cc2c(cc1-c1cnn(-c3cncc(C4CC4)c3)c1)OCCOCCOCCOCCOCCOCCO2,VUYDCAYFSPSPOX-UHFFFAOYSA-N
+rxn:4:183273:225133,Cc1ccn(-c2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)c(C#N)c2)n1,VRSPKWHRJXQUGZ-UHFFFAOYSA-N
+rxn:4:183273:225137,Cc1cnn(-c2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)c(C#N)c2)c1,NMGAYJCMUGKZKG-UHFFFAOYSA-N
+rxn:4:183273:225138,c1cc(-n2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)n2)cc(C2CC2)n1,YYPGKMLMFUUSGH-UHFFFAOYSA-N
+rxn:4:183273:225139,Cc1cn(-c2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc2C#N)cn1,DWNHBQIVXWBDRG-UHFFFAOYSA-N
+rxn:4:183273:225141,Cc1ccn(-c2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc2C#N)n1,XMWJVPJPODGCFD-UHFFFAOYSA-N
+rxn:4:183273:225142,Cc1cnn(-c2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc2C#N)c1,KODOUECZYBBMBK-UHFFFAOYSA-N
+rxn:4:183273:225150,COc1cc(-n2ccc(C)n2)ccc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,JBZKUVWNHXQSJQ-UHFFFAOYSA-N
+rxn:4:183273:225151,COc1ccc(-c2ncc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cn2)cc1,NZCVSJJWXSUKND-UHFFFAOYSA-N
+rxn:4:183273:225154,COc1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc(-c2cnn(C)c2)c1,HHBOSBZVSMDGBU-UHFFFAOYSA-N
+rxn:4:183273:225213,CN1CCN(c2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)c(Cl)c2)CC1,UGXFAVZONNMSBP-UHFFFAOYSA-N
+rxn:4:183273:225251,CCOC(=O)c1cnn2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc12,OHQUSEQEISDFEU-UHFFFAOYSA-N
+rxn:4:183273:225254,FC(F)(F)c1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c2ncccc12,AYYJDMQOIYBMLI-UHFFFAOYSA-N
+rxn:4:183273:225259,CCN(CC)S(=O)(=O)c1ccccc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,KIPFWBJMQQZNJI-UHFFFAOYSA-N
+rxn:4:183273:225261,CCN(CC)S(=O)(=O)c1cccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,NKJVLSGCKQCYNZ-UHFFFAOYSA-N
+rxn:4:183273:225263,COC(=O)c1cc(C(=O)OC)cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,YMZHUFOXTOXLLI-UHFFFAOYSA-N
+rxn:4:183273:225264,COC(=O)c1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1C(=O)OC,ZEXXKBPRYNIKDH-UHFFFAOYSA-N
+rxn:4:183273:225281,CC(C)(C)OC(=O)c1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc(Cl)n1,YTOLJOLKPLSOSZ-UHFFFAOYSA-N
+rxn:4:183273:225299,Cc1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc(C)c1S(=O)(=O)N(C)C,IDFUOIXPBLXWSE-UHFFFAOYSA-N
+rxn:4:183273:225325,CCOC(=O)c1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc([N+](=O)[O-])c1,LJGKENFZQLHFBR-UHFFFAOYSA-N
+rxn:4:183273:225330,COC(=O)c1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc(C(=O)OC)n1,YLWJEZPRZSBCPN-UHFFFAOYSA-N
+rxn:4:183273:225342,CN(C)C(=O)c1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc([N+](=O)[O-])c1,PJZLLPORNGIXKZ-UHFFFAOYSA-N
+rxn:4:183273:225362,O=S(=O)(c1ccccc1)n1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cn1,ZJWCNMJOXZJOEP-UHFFFAOYSA-N
+rxn:4:183273:225369,COC(=O)c1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c(Cl)c([N+](=O)[O-])c1,WKSHZAVWCWMTKV-UHFFFAOYSA-N
+rxn:4:183273:225384,O=[N+]([O-])c1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)ccc1OC(F)(F)F,PAUWXSDYMJJQDJ-UHFFFAOYSA-N
+rxn:4:183273:225392,c1ccc(Cc2cccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)c2)cc1,GQGFYWBVNXJYCL-UHFFFAOYSA-N
+rxn:4:183273:225396,Cc1ccccc1-c1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1,SJBKIYVFKZEUGQ-UHFFFAOYSA-N
+rxn:4:183273:225397,Cc1cccc(-c2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc2)c1,PCMJPVRXIZSRMN-UHFFFAOYSA-N
+rxn:4:183273:225398,Cc1ccc(-c2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc2)cc1,YECORNGBTFZETP-UHFFFAOYSA-N
+rxn:4:183273:225399,Cc1cc(-c2ccccc2)cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,XFEMPULHIANKKJ-UHFFFAOYSA-N
+rxn:4:183273:225400,Cc1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1-c1ccccc1,YHDCPGBMIQVNNV-UHFFFAOYSA-N
+rxn:4:183273:225402,Cc1c(-c2ccccc2)cccc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,YMGUXPGDWZVGOY-UHFFFAOYSA-N
+rxn:4:183273:225403,Cc1ccc(-c2ccccc2)c(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,JNXZZVCSOPCKIZ-UHFFFAOYSA-N
+rxn:4:183273:225405,Cc1cc(-c2ccccc2)ccc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,QBZMFOABNHAHMT-UHFFFAOYSA-N
+rxn:4:183273:225417,CCOc1ccc2ccccc2c1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,RTSKCRLJOZWPPI-UHFFFAOYSA-N
+rxn:4:183273:225421,CN(C)c1cccc2c(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cccc12,GUWVRDCTXOHNQK-UHFFFAOYSA-N
+rxn:4:183273:225439,CC(c1cccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1)N1CCCC1,HNXFMGCYGCKQTI-UHFFFAOYSA-N
+rxn:4:183273:225440,N#CC1(c2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc2)CCCC1,SNKVJIIRTAMDPR-UHFFFAOYSA-N
+rxn:4:183273:225448,Cc1ccc(OC2CCCC2)c(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,DMHBXPRONBDRGF-UHFFFAOYSA-N
+rxn:4:183273:225451,c1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)ccc1SC1CCCCC1,JNEOJIBWWSLRIG-UHFFFAOYSA-N
+rxn:4:183273:225454,CN1CC=C(c2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc2)CC1,VSUOUIQXRWARIJ-UHFFFAOYSA-N
+rxn:4:183273:225455,Cc1ccc(N2CCCCC2)cc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,VUKKDQWRZSLKOG-UHFFFAOYSA-N
+rxn:4:183273:225458,Cc1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc(-c2ccccn2)c1,HNLPWUTXCRVTSF-UHFFFAOYSA-N
+rxn:4:183273:225460,Cc1ccccc1-c1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)ccn1,QUDASICIOHCYDU-UHFFFAOYSA-N
+rxn:4:183273:225461,Cc1cc(N2CCCCC2)ccc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,UQGFMUTUHGGWJY-UHFFFAOYSA-N
+rxn:4:183273:225463,Cc1ccccc1-c1cncc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,LJXCHZFREPQRIX-UHFFFAOYSA-N
+rxn:4:183273:225464,CC1CCCN(c2cccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)c2)C1,PUOSSIZJVZLXTQ-UHFFFAOYSA-N
+rxn:4:183273:225468,Cc1ccccc1-c1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cn1,NSVIWUIQJCQFPT-UHFFFAOYSA-N
+rxn:4:183273:225470,CC1CCN(c2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc2)CC1,PVAKGVYXZOTQDR-UHFFFAOYSA-N
+rxn:4:183273:225485,Clc1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)ccc1-c1ccccc1,JYQLNWGJTQZDSO-UHFFFAOYSA-N
+rxn:4:183273:225491,Fc1ccc(-c2ccccc2)c(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,STWMAPWSPKSXKM-UHFFFAOYSA-N
+rxn:4:183273:225501,Fc1cccc(-c2cccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)c2)c1,PZAOKWGIGZEDSW-UHFFFAOYSA-N
+rxn:4:183273:225503,Clc1ccccc1-c1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1,GJTUUMLGEMRFJS-UHFFFAOYSA-N
+rxn:4:183273:225515,CC1(C)COc2cccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)c2OC1,NSJIOILCTSUZJE-UHFFFAOYSA-N
+rxn:4:183273:225516,CN(C)CCCOc1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1,KEXDXQAHZVKVAB-UHFFFAOYSA-N
+rxn:4:183273:225518,CCCCCOc1ncc(C)cc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,SYMXFKWKHAVLRC-UHFFFAOYSA-N
+rxn:4:183273:225520,CCCCOC(=O)c1cccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,PCNTXNBNLDDGQJ-UHFFFAOYSA-N
+rxn:4:183273:225522,CCCCOc1cc(OC)cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,PKLSRPNWOQSKGQ-UHFFFAOYSA-N
+rxn:4:183273:225538,CC(C)COc1cccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1C#N,QAUMWWZNYZWHRH-UHFFFAOYSA-N
+rxn:4:183273:225543,CCCCC(=O)c1ccc(F)c(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,SIWFEBDKNYNJQU-UHFFFAOYSA-N
+rxn:4:183273:225549,CCCCC(=O)c1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)ccc1F,WJZBNFRIIYKKAE-UHFFFAOYSA-N
+rxn:4:183273:225552,CCN(C)c1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc(C2CC2)n1,WDHXUOPPESDAGR-UHFFFAOYSA-N
+rxn:4:183273:225560,c1cc(COC2CCOC2)cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,BHDUHSAAWWHRBZ-UHFFFAOYSA-N
+rxn:4:183273:225580,CCn1cc(-c2cccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)c2)cn1,ZDCSXHLUVDTTEW-UHFFFAOYSA-N
+rxn:4:183273:225583,O=C(c1cccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1)N1CCCC1,YZNLCNHDVJWPHD-UHFFFAOYSA-N
+rxn:4:183273:225599,c1ccc(Oc2cc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)ccn2)cc1,WIBUHLLJHAHJTM-UHFFFAOYSA-N
+rxn:4:183273:225602,N#CC1(c2ccc(F)c(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)c2)CCC1,YPMNQASDOPYHMX-UHFFFAOYSA-N
+rxn:4:183273:225609,c1ccc(Oc2cccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)c2)nc1,NBPZFCJAXHDJEE-UHFFFAOYSA-N
+rxn:4:183273:225621,Cc1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)ccc1OC1CCOC1,RYGLMSNYMDOEJK-UHFFFAOYSA-N
+rxn:4:183273:225622,c1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c(OC2CCCCO2)c1,AEWZNWLYPSJZNV-UHFFFAOYSA-N
+rxn:4:183273:225624,COc1ccc(-c2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)s2)cc1,NONDCGZOVTYIQK-UHFFFAOYSA-N
+rxn:4:183273:225628,COc1ccccc1-c1csc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,GHPRJNMWHUVVPE-UHFFFAOYSA-N
+rxn:4:183273:225630,Cc1cc(C)n(-c2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc2)n1,GFXDHEPRKXSQIC-UHFFFAOYSA-N
+rxn:4:183273:225631,CN1CCN(c2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc2)CC1,JYRPYSRUIVVIDV-UHFFFAOYSA-N
+rxn:4:183273:225632,CN1CCN(c2cccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)c2)CC1,CUSWBQIYAVCFLQ-UHFFFAOYSA-N
+rxn:4:183273:225635,Cc1cc(C)n(-c2cccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)c2)n1,MBFIIPPXIDQNCV-UHFFFAOYSA-N
+rxn:4:183273:225636,CC1CCN(c2cc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)ccn2)CC1,YAXYZZBGPZUTLY-UHFFFAOYSA-N
+rxn:4:183273:225642,Cc1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc(-c2cnccn2)c1,ODTUILFBXBSBQD-UHFFFAOYSA-N
+rxn:4:183273:225644,Cc1cccc(-c2ncc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cn2)c1,JLHCCZDTRKJWSR-UHFFFAOYSA-N
+rxn:4:183273:225645,Cc1ccn(-c2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)c(C)c2)n1,KTDHONMAMNDNIY-UHFFFAOYSA-N
+rxn:4:183273:225647,Cc1cnn(-c2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)c(C)c2)c1,DJQURCGNIJAHHV-UHFFFAOYSA-N
+rxn:4:183273:225648,Cc1ccc(-c2ncc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cn2)cc1,NHVYYOGXRYJNOU-UHFFFAOYSA-N
+rxn:4:183273:225673,Clc1ccnc(-c2cccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)c2)c1,ZECSKAIKAFPXCD-UHFFFAOYSA-N
+rxn:4:183273:225703,COC(=O)c1cc2cc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)ccc2s1,FNCJGUADHZZHSU-UHFFFAOYSA-N
+rxn:4:183273:225705,COc1cnc2c(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc(C)cc2n1,BBWVXZBINUIOPE-UHFFFAOYSA-N
+rxn:4:183273:225707,O=[N+]([O-])c1cccc2c(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cccc12,WVEOMCADOIRKKD-UHFFFAOYSA-N
+rxn:4:183273:225708,COc1nc2ccc(Cl)cc2cc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,ZVJPBSQJOMHDEU-UHFFFAOYSA-N
+rxn:4:183273:225725,CCOC(=O)c1ccc(C#N)c(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,MFPUETFEDXZYME-UHFFFAOYSA-N
+rxn:4:183273:225735,CCOc1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc(Cl)c1OCC,CVJPISMRNDIMQT-UHFFFAOYSA-N
+rxn:4:183273:225749,COc1ccc(C(=O)N(C)C)cc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,VKUPTPQMQODXQR-UHFFFAOYSA-N
+rxn:4:183273:225757,COC(=O)c1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc(C(C)C)n1,QHHWCNGENOGRCO-UHFFFAOYSA-N
+rxn:4:183273:225777,N#Cc1ccccc1-n1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cn1,JGPXMSDJLMSFGG-UHFFFAOYSA-N
+rxn:4:183273:225788,CCc1nnc(-c2cccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)c2)o1,BZCHQXGJOYIWDN-UHFFFAOYSA-N
+rxn:4:183273:225790,CCc1nc(-c2cccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)c2)no1,NQLRAOXVURIVNI-UHFFFAOYSA-N
+rxn:4:183273:225792,COc1ccc(-n2cc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cn2)cc1,CMYUUJOZSQUTEF-UHFFFAOYSA-N
+rxn:4:183273:225795,COc1cc(-n2cccn2)ccc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,RHDQTHPGUHVDCI-UHFFFAOYSA-N
+rxn:4:183273:225797,CC(C)(C)c1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1[N+](=O)[O-],DNEOLAKPDNCKNJ-UHFFFAOYSA-N
+rxn:4:183273:225827,CN1CCN(c2cc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)ccn2)CC1,QCKKXMXBYFKDEW-UHFFFAOYSA-N
+rxn:4:183273:225829,CC1CCN(c2ncc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cn2)CC1,VPTFUXQWSCTABR-UHFFFAOYSA-N
+rxn:4:183273:225857,Cc1ccn(-c2cc(F)cc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)c2)n1,VWKGKZAAECXNFS-UHFFFAOYSA-N
+rxn:4:183273:225862,Cc1cnn(-c2cc(F)cc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)c2)c1,NLWNFHOMRUBKAC-UHFFFAOYSA-N
+rxn:4:183273:225899,Cc1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)n(C(=O)OC(C)(C)C)n1,YHKNJJIVVXXDAT-UHFFFAOYSA-N
+rxn:4:183273:225903,CON(C)C(=O)c1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)ccc1F,HRBZOBDCOTYRAT-UHFFFAOYSA-N
+rxn:4:183273:225904,CON(C)C(=O)c1ccc(F)c(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,GHERFIZGHQWSIC-UHFFFAOYSA-N
+rxn:4:183273:225927,CN(C)c1ccc(C(F)(F)F)cc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,ZZSKCLWFWDUWHV-UHFFFAOYSA-N
+rxn:4:183273:225962,Cc1ccn(-c2cc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)c(F)cn2)n1,HWKXOMRMEOTIFH-UHFFFAOYSA-N
+rxn:4:183273:225963,Cc1ccn(-c2cc(F)c(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cn2)n1,NARNDHIMRNFWDX-UHFFFAOYSA-N
+rxn:4:183273:225993,COC(=O)c1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1[N+](=O)[O-],SRTBHOPZXJYXOF-UHFFFAOYSA-N
+rxn:4:183273:225998,COC(=O)c1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc([N+](=O)[O-])c1,UOZVDZSUDFXKQR-UHFFFAOYSA-N
+rxn:4:183273:225999,COC(=O)c1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c([N+](=O)[O-])c1,IIFYNFYHMIPEBW-UHFFFAOYSA-N
+rxn:4:183273:226000,CC(=O)Oc1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1[N+](=O)[O-],LGKMPJKVZJXVCF-UHFFFAOYSA-N
+rxn:4:183273:226002,CC(=O)Oc1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)ccc1[N+](=O)[O-],GGCGQCVYSUEYJX-UHFFFAOYSA-N
+rxn:4:183273:226003,COC(=O)c1ccc([N+](=O)[O-])cc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,ODKAJMUAZPUZGO-UHFFFAOYSA-N
+rxn:4:183273:226044,COc1c([N+](=O)[O-])cc(F)c(F)c1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,WLLULNMCGLLOEP-UHFFFAOYSA-N
+rxn:4:183273:226056,c1cc2c(cc1-c1c3c(cc4c1CCC4)CCC3)OCCOCCOCCOCCOCCOCCO2,LJHYQELVCJFZCJ-UHFFFAOYSA-N
+rxn:4:183273:226058,CC(C)c1cccc(C(C)C)c1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,UZQZXVDCBSDKNP-UHFFFAOYSA-N
+rxn:4:183273:226059,CC(C)c1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c(C(C)C)c1,TWZQPOXGBLGDIS-UHFFFAOYSA-N
+rxn:4:183273:226062,CC(C)c1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc(C(C)C)c1,XOUSCPMPNFIFGQ-UHFFFAOYSA-N
+rxn:4:183273:226064,c1cc(C2CCCCC2)ccc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,OOYNKYKSLNLEOD-UHFFFAOYSA-N
+rxn:4:183273:226070,CC(C)n1ccc2cc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)ccc21,RSLNWMOZTYGHPP-UHFFFAOYSA-N
+rxn:4:183273:226071,N#Cc1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c2ccccc12,WQFOQIJYXYLAHO-UHFFFAOYSA-N
+rxn:4:183273:226072,N#Cc1cccc2cccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)c12,CTJCLWHSAUEAMV-UHFFFAOYSA-N
+rxn:4:183273:226077,COc1ccc2ccccc2c1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,HYROXFBAFZQXEL-UHFFFAOYSA-N
+rxn:4:183273:226079,CC(C)c1ccc2sc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc2c1,VHEMNMADDMNEMT-UHFFFAOYSA-N
+rxn:4:183273:226081,COc1ccc2c(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cccc2c1,DFIXJAQGBUCCAZ-UHFFFAOYSA-N
+rxn:4:183273:226092,CCCCOc1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c(C)c1,XSAHOBPPVGSMLT-UHFFFAOYSA-N
+rxn:4:183273:226103,CCCOc1c(C)cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1C,MDEDHONTRNSNQI-UHFFFAOYSA-N
+rxn:4:183273:226111,CC(C)(C)OCc1ccccc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,UKIBWNOAVCKWHF-UHFFFAOYSA-N
+rxn:4:183273:226123,COCc1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1C1CC1,DONJFVDUHXRWTH-UHFFFAOYSA-N
+rxn:4:183273:226126,COCc1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)ccc1C1CC1,KIRDUAZJXJOAIZ-UHFFFAOYSA-N
+rxn:4:183273:226134,Cc1c(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc(C#N)cc1C1CC1,ZOGGUOWICXVWTK-UHFFFAOYSA-N
+rxn:4:183273:226144,C[Si](C)(C)C#Cc1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1,VNNWTNIUQVMFMA-UHFFFAOYSA-N
+rxn:4:183273:226149,COc1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1C(C)(C)C,DCJJMFYLROJAEI-UHFFFAOYSA-N
+rxn:4:183273:226192,Cc1ccccc1-c1csc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,AUNMXJROLKLDTN-UHFFFAOYSA-N
+rxn:4:183273:226195,Cc1cccc(-c2csc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)c2)c1,DBAQCQFRZDCCQY-UHFFFAOYSA-N
+rxn:4:183273:226196,Cc1sc(-c2ccccc2)cc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,BDHVDQPPIZDKSG-UHFFFAOYSA-N
+rxn:4:183273:226197,c1cc(C2CCCOC2)ccc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,CLSCLVLBLZJQHV-UHFFFAOYSA-N
+rxn:4:183273:226202,CCc1nn(C)c2cc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)ccc12,SFLFTYCVEGTJSE-UHFFFAOYSA-N
+rxn:4:183273:226205,COc1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c2ncccc2c1,KMVUFSZOUCXRDI-UHFFFAOYSA-N
+rxn:4:183273:226214,COc1ccc2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc2n1,GGRSHCFLYIDOJH-UHFFFAOYSA-N
+rxn:4:183273:226216,COc1ccc2ncc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc2c1,LKSWOLVQGBBASO-UHFFFAOYSA-N
+rxn:4:183273:226217,COc1cc(C)cc2cc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)sc12,UIZGWXHICYPPBG-UHFFFAOYSA-N
+rxn:4:183273:226225,COCCOCc1cccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,JLFQIXWLHPKJDF-UHFFFAOYSA-N
+rxn:4:183273:226226,COCCOCc1ccccc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,STZXXUNKDVAVFM-UHFFFAOYSA-N
+rxn:4:183273:226230,COCCOCc1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1,OLGPROSDWQTYCP-UHFFFAOYSA-N
+rxn:4:183273:226243,CCOC(=O)Cc1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1,RFJAMNOUHUYXBD-UHFFFAOYSA-N
+rxn:4:183273:226248,CCOC(=O)Cc1cccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,SPZSASKLKIVTNB-UHFFFAOYSA-N
+rxn:4:183273:226261,CCOc1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1OCC,ISIWASDZKJRLBZ-UHFFFAOYSA-N
+rxn:4:183273:226267,COCCOc1ccc(C)cc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,XCARVYQAJHZDGK-UHFFFAOYSA-N
+rxn:4:183273:226269,CCOc1ccc(OCC)c(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,XHKYCGVHOBHYMI-UHFFFAOYSA-N
+rxn:4:183273:226280,CC(C)Oc1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)ccc1C#N,HTJZWQMMNWIYMG-UHFFFAOYSA-N
+rxn:4:183273:226288,COc1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1OC(C)C,SFIBAVMOEMTOEV-UHFFFAOYSA-N
+rxn:4:183273:226289,COc1cccc(OC(C)C)c1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,WCDNRAPJDALPAF-UHFFFAOYSA-N
+rxn:4:183273:226300,CCCC(=O)c1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)ccc1F,ZBUNUTJNJHYWSL-UHFFFAOYSA-N
+rxn:4:183273:226314,c1ccc(Cn2cc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cn2)cc1,NEFPFAVIARXZLN-UHFFFAOYSA-N
+rxn:4:183273:226336,N#Cc1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c(Cl)cc1C1CC1,TVOHKKAFRFNBIV-UHFFFAOYSA-N
+rxn:4:183273:226339,N#Cc1cc(Cl)c(C2CC2)c(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,AKPQXGZVYQYWEU-UHFFFAOYSA-N
+rxn:4:183273:226359,Cn1nccc1-c1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1,VCMALBJXGGBFTE-UHFFFAOYSA-N
+rxn:4:183273:226368,Cn1ncc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1-c1ccccc1,ANEDCWUQBNVQAN-UHFFFAOYSA-N
+rxn:4:183273:226373,Cc1ccn(-c2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc2)n1,LMSRMEGQLKTXKB-UHFFFAOYSA-N
+rxn:4:183273:226375,Cn1ccnc1-c1cccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,KKQYPEYPNGFMIG-UHFFFAOYSA-N
+rxn:4:183273:226383,Cn1cc(-c2cccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)c2)cn1,PGVWBEUBNKTIPR-UHFFFAOYSA-N
+rxn:4:183273:226392,Cc1ccn(-c2cccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)c2)n1,OXWSEFBOTQTZRH-UHFFFAOYSA-N
+rxn:4:183273:226436,Cc1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc(-c2cscn2)c1,AUVGNSYWTNJUDP-UHFFFAOYSA-N
+rxn:4:183273:226458,Cn1nc(C#N)c2cc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)ccc21,PWMZIADKQYZOMO-UHFFFAOYSA-N
+rxn:4:183273:226472,CN(C)CCOc1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)ccn1,UYGUNGZYWAKPDH-UHFFFAOYSA-N
+rxn:4:183273:226481,COc1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1OCC#N,WZMZZNZEQVMCGY-UHFFFAOYSA-N
+rxn:4:183273:226499,CC(C)(C)OC(=O)n1cccc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,GZNAAMGSDPDWQF-UHFFFAOYSA-N
+rxn:4:183273:226503,CON(C)C(=O)c1cccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,RZLONNRUVZAGIL-UHFFFAOYSA-N
+rxn:4:183273:226510,CC(C)COc1nccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1Cl,XEKPSSQWTJAFJQ-UHFFFAOYSA-N
+rxn:4:183273:226514,CCc1cnc(C(=O)OC)cc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,YGATUIZWTRZBBD-UHFFFAOYSA-N
+rxn:4:183273:226567,COC(=O)C(=O)c1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1,YBULOGRDLJHFIR-UHFFFAOYSA-N
+rxn:4:183273:226613,Cn1ccc(-c2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cn2)n1,KHLWIAVOSCLIPK-UHFFFAOYSA-N
+rxn:4:183273:226615,Cc1cnn(-c2cc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)ccn2)c1,RPNLQXWGSZKJBL-UHFFFAOYSA-N
+rxn:4:183273:226617,Cc1nn(-c2ccccn2)cc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,QBPBDRRFXYAFCU-UHFFFAOYSA-N
+rxn:4:183273:226620,Cc1ccn(-c2cc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)ccn2)n1,KNJYQNOXQFTKEA-UHFFFAOYSA-N
+rxn:4:183273:226628,Cc1cnn(-c2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cn2)c1,MBMWHBOOFNKSTF-UHFFFAOYSA-N
+rxn:4:183273:226630,Cn1cc(-c2cncc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)c2)cn1,GVCBHIJDOLHEGX-UHFFFAOYSA-N
+rxn:4:183273:226633,Cc1nc(-n2cccn2)ccc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,DJRZPSIKPMUKKK-UHFFFAOYSA-N
+rxn:4:183273:226636,Cc1ccn(-c2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cn2)n1,OHWLKBLGFULNFM-UHFFFAOYSA-N
+rxn:4:183273:226642,Cc1cn(-c2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cn2)cn1,BUUKRVHQCWMNCZ-UHFFFAOYSA-N
+rxn:4:183273:226645,c1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc(N2CCOCC2)n1,JBVHNKBAHPUJFA-UHFFFAOYSA-N
+rxn:4:183273:226647,Cc1nnc(-c2cccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)c2)o1,DEAQEGVDQMFHGB-UHFFFAOYSA-N
+rxn:4:183273:226648,Cc1nc(-c2cccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)c2)no1,DVWAPNUTPRVWPF-UHFFFAOYSA-N
+rxn:4:183273:226651,Clc1cccc(-n2cc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cn2)c1,WFAPQQFYWGRPDK-UHFFFAOYSA-N
+rxn:4:183273:226655,Clc1cnc(N2CCCC2)c(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,HAJWWBGJWASSKU-UHFFFAOYSA-N
+rxn:4:183273:226659,Clc1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cnc1N1CCCC1,PCSPRRXWOBQRCA-UHFFFAOYSA-N
+rxn:4:183273:226660,Fc1ccccc1-n1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cn1,KITOAVIPRFGQDI-UHFFFAOYSA-N
+rxn:4:183273:226663,c1cc(N2CCSCC2)ncc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,OATVENKRFDRFNO-UHFFFAOYSA-N
+rxn:4:183273:226664,Fc1cnc(N2CCCC2)cc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,AKGYVSRCUIIDAX-UHFFFAOYSA-N
+rxn:4:183273:226667,Clc1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c(-n2cccn2)c1,WYZZBOBIHPJPIU-UHFFFAOYSA-N
+rxn:4:183273:226688,Cc1nc(-c2nccs2)ccc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,DKBSXXCSMGOXPQ-UHFFFAOYSA-N
+rxn:4:183273:226696,Clc1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cnc1-c1ccoc1,ZDYHCTGWIBWFDD-UHFFFAOYSA-N
+rxn:4:183273:226717,CCOc1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1[N+](=O)[O-],MKLCVABVNDTBSD-UHFFFAOYSA-N
+rxn:4:183273:226720,COC(=O)c1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c(OC)cn1,BDQGMYHODWCPBY-UHFFFAOYSA-N
+rxn:4:183273:226721,COC(=O)c1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc(OC)n1,TWAGMSDWALLSKJ-UHFFFAOYSA-N
+rxn:4:183273:226739,CC(=O)c1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1[N+](=O)[O-],GYARYKNWPZJNGE-UHFFFAOYSA-N
+rxn:4:183273:226785,Cc1cnn(-c2ncc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cn2)c1,MHZHTOWSQWJXSW-UHFFFAOYSA-N
+rxn:4:183273:226787,Cc1nc(-n2ccnc2)ncc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,GTWFVFODSXMCKS-UHFFFAOYSA-N
+rxn:4:183273:226793,Fc1ccc(-n2cc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cn2)nc1,AHQJXJOCIGTHKY-UHFFFAOYSA-N
+rxn:4:183273:226804,Fc1cc(-n2cc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cn2)ccn1,GGFHYAXOJJZSHU-UHFFFAOYSA-N
+rxn:4:183273:226843,O=C(c1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cn1)C(F)(F)F,LKVZALGQZKSPJV-UHFFFAOYSA-N
+rxn:4:183273:226879,Clc1cnc(-n2cc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cn2)nc1,VMKWWKFAUKTUFR-UHFFFAOYSA-N
+rxn:4:183273:226899,O=[N+]([O-])c1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c([N+](=O)[O-])c1,HZMLPVLCWWYLGX-UHFFFAOYSA-N
+rxn:4:183273:226903,Cc1ccc2ccccc2c1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,VWDBIMDCRODGIR-UHFFFAOYSA-N
+rxn:4:183273:226919,c1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc(C2CCCC2)c1,ZJIOVDUANZKYBK-UHFFFAOYSA-N
+rxn:4:183273:226929,Cc1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c2cccnc12,OYFQWQNNVJCEPO-UHFFFAOYSA-N
+rxn:4:183273:226945,Cc1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c2ncccc2c1,MMXUEWHMEZGHKN-UHFFFAOYSA-N
+rxn:4:183273:226958,Cc1ccc2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc2n1,HHRWKSVPUFUQEC-UHFFFAOYSA-N
+rxn:4:183273:226989,CCN(CC)c1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1,CXKHRTCNTKAEHB-UHFFFAOYSA-N
+rxn:4:183273:226993,CCCOc1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1C,XKWZSPBHRACHFC-UHFFFAOYSA-N
+rxn:4:183273:226994,CCCOc1ccc(C)cc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,ZJMGYRAISJFFFV-UHFFFAOYSA-N
+rxn:4:183273:227011,CC(C)OCc1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1,DQCPFBKJICCSQN-UHFFFAOYSA-N
+rxn:4:183273:227017,CC=CCOc1ccccc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,ZRPIMBLLVGJULF-UHFFFAOYSA-N
+rxn:4:183273:227029,CC(C)(C#N)c1ccccc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,VXNLMRHXYVFTLY-UHFFFAOYSA-N
+rxn:4:183273:227034,N#Cc1cccc(C2CC2)c1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,LDBYXVGAERVBQU-UHFFFAOYSA-N
+rxn:4:183273:227037,N#Cc1ccc(C2CC2)c(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,JHHGCQRKUURXLO-UHFFFAOYSA-N
+rxn:4:183273:227039,CC(C)(C)Oc1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1,FDSJYLYOYLSURW-UHFFFAOYSA-N
+rxn:4:183273:227052,CC(C)(C)Sc1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1,QLFJDLQJGGRDIL-UHFFFAOYSA-N
+rxn:4:183273:227057,COc1cccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1C1CC1,PXOKJDHMTONHHR-UHFFFAOYSA-N
+rxn:4:183273:227064,CC(C)(C)Oc1ccccc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,VGFXTLREDUZDSW-UHFFFAOYSA-N
+rxn:4:183273:227066,O=C(c1cccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1)C1CC1,ICBDMWISJDIMGU-UHFFFAOYSA-N
+rxn:4:183273:227069,COc1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c(C(C)C)c1,UPZPIXITXRQGQT-UHFFFAOYSA-N
+rxn:4:183273:227072,COc1cc(C2CC2)ccc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,FCSLWHUEKAXPEH-UHFFFAOYSA-N
+rxn:4:183273:227080,c1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc(N2CCCC2)c1,UIGURJQABWFOBV-UHFFFAOYSA-N
+rxn:4:183273:227081,c1cc(N2CCCC2)ccc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,KNRQDJPAFNSOJL-UHFFFAOYSA-N
+rxn:4:183273:227086,c1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc(C2CCCC2)n1,RUUILZXWAIYXBZ-UHFFFAOYSA-N
+rxn:4:183273:227088,Cc1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc(C(C)(C)C)n1,LGIUFCSLKBQRCJ-UHFFFAOYSA-N
+rxn:4:183273:227146,Cc1c(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)ccc2c1cnn2C,FBUNPWPCTMVWLX-UHFFFAOYSA-N
+rxn:4:183273:227147,Cc1nn(C)c2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc12,JHCSWBKTTGBSCW-UHFFFAOYSA-N
+rxn:4:183273:227148,Cc1cc2c(cnn2C)cc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,WFARZFGQIKJMCC-UHFFFAOYSA-N
+rxn:4:183273:227149,Cc1ccc2c(cnn2C)c1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,MVIBLAWOLFIACG-UHFFFAOYSA-N
+rxn:4:183273:227150,Cc1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc2cnn(C)c12,SEMOBXVYSMGJSQ-UHFFFAOYSA-N
+rxn:4:183273:227153,Cc1nn(C)c2cc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)ccc12,QAAHMVNZOOODSF-UHFFFAOYSA-N
+rxn:4:183273:227154,Cc1c2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc2nn1C,KHDMULKBUWDEFX-UHFFFAOYSA-N
+rxn:4:183273:227155,Cc1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc2c1cnn2C,PQLLJGVIXANPEB-UHFFFAOYSA-N
+rxn:4:183273:227185,CN1CCOc2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc21,HGPPKZVSGKEKNB-UHFFFAOYSA-N
+rxn:4:183273:227200,Cn1c(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc2c(Cl)cccc21,ICYOFSLQYOEDLB-UHFFFAOYSA-N
+rxn:4:183273:227215,COCCOc1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1,QCUOXKOLMWOKRV-UHFFFAOYSA-N
+rxn:4:183273:227233,COc1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)ccc1CC#N,ZAEYIAAELOUQPI-UHFFFAOYSA-N
+rxn:4:183273:227235,CCOc1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1C#N,GWAFDDPEETZKLZ-UHFFFAOYSA-N
+rxn:4:183273:227260,COCc1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)ccc1OC,PLKJYLIGQLUIML-UHFFFAOYSA-N
+rxn:4:183273:227273,CCOc1c(OC)cccc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,JPQNKJVMNVNTJU-UHFFFAOYSA-N
+rxn:4:183273:227278,N#CC1(c2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cn2)CC1,XVVJIGXVDBRTAH-UHFFFAOYSA-N
+rxn:4:183273:227280,CC(C)c1cnc(C#N)cc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,MJHYWTXMTSTUAZ-UHFFFAOYSA-N
+rxn:4:183273:227289,CC(C)(C)Oc1ncccc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,IARSPTHGENGTHC-UHFFFAOYSA-N
+rxn:4:183273:227300,c1ncc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1OC1CCC1,AEBPFMPPEOKNSD-UHFFFAOYSA-N
+rxn:4:183273:227349,COc1cc(C)cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1OC,ZPQGIWDLASZGJU-UHFFFAOYSA-N
+rxn:4:183273:227375,c1cc(N2CCCC2)ncc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,IJRWHYZEALWDOM-UHFFFAOYSA-N
+rxn:4:183273:227387,c1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc(N2CCCC2)n1,ABUHJKNNIWVXIN-UHFFFAOYSA-N
+rxn:4:183273:227403,c1cc2c(cc1-c1ccc(N3CCCCC3)s1)OCCOCCOCCOCCOCCOCCO2,DUJHHRINPJHJBY-UHFFFAOYSA-N
+rxn:4:183273:227404,c1cc2c(cc1-c1cc(N3CCCCC3)cs1)OCCOCCOCCOCCOCCOCCO2,GKKMNMNDAVZHCI-UHFFFAOYSA-N
+rxn:4:183273:227453,Cc1ccc(-c2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)s2)s1,WEHGTSQZQVYLGG-UHFFFAOYSA-N
+rxn:4:183273:227456,CSc1nc2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc2s1,GUFBFOQSYGBMMY-UHFFFAOYSA-N
+rxn:4:183273:227473,O=[N+]([O-])CCc1cccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,JRLSEQJMSDYTBB-UHFFFAOYSA-N
+rxn:4:183273:227474,O=[N+]([O-])CCc1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1,LKPZPZNTMDMLRN-UHFFFAOYSA-N
+rxn:4:183273:227489,CN(C)c1ncc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1C#N,VHGNBROUNSUTOB-UHFFFAOYSA-N
+rxn:4:183273:227495,CCN(C)c1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c(F)cn1,UEULIRRFRLESJI-UHFFFAOYSA-N
+rxn:4:183273:227498,COc1cc(N(C)C)ncc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,GHXZWLPUTJBHEB-UHFFFAOYSA-N
+rxn:4:183273:227501,O=[N+]([O-])C=Cc1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1,IMRNVVZUJSFEKD-UHFFFAOYSA-N
+rxn:4:183273:227505,O=[N+]([O-])/C=C/c1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1,IMRNVVZUJSFEKD-BQYQJAHWSA-N
+rxn:4:183273:227506,O=[N+]([O-])/C=C/c1cccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,PTVVZZGNNDGCGK-VOTSOKGWSA-N
+rxn:4:183273:227507,O=[N+]([O-])C=Cc1cccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,PTVVZZGNNDGCGK-UHFFFAOYSA-N
+rxn:4:183273:227512,COC(=O)c1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c(C)cn1,GNQKTXHZQWFQNN-UHFFFAOYSA-N
+rxn:4:183273:227567,COc1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc(Cl)c1OC,XTISSVASKZUKAT-UHFFFAOYSA-N
+rxn:4:183273:227578,COc1cc(OC)c(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1Cl,UEXARVJYFMWDRD-UHFFFAOYSA-N
+rxn:4:183273:227616,Cc1cnn(-c2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)s2)c1,UNNJYCRNMSIGOS-UHFFFAOYSA-N
+rxn:4:183273:227619,Cc1cnn(-c2csc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)c2)c1,ADWOFKBNKNSIGE-UHFFFAOYSA-N
+rxn:4:183273:227623,Cc1ccn(-c2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)s2)n1,VOXGIYBIMAMPDJ-UHFFFAOYSA-N
+rxn:4:183273:227682,N#Cc1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc([N+](=O)[O-])c1,NPAUPKGYCSKVCO-UHFFFAOYSA-N
+rxn:4:183273:227686,COc1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1[N+](=O)[O-],JEVJJNRSAPGSPY-UHFFFAOYSA-N
+rxn:4:183273:227693,COC(=O)c1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c(Cl)cn1,SVWSVOCTCAFWKR-UHFFFAOYSA-N
+rxn:4:183273:227695,COc1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc([N+](=O)[O-])c1,GUKCIEMLYOMYDH-UHFFFAOYSA-N
+rxn:4:183273:227730,Cc1nn(-c2nccs2)cc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,IUBWHRWMEFWFTN-UHFFFAOYSA-N
+rxn:4:183273:227769,COc1ncc([N+](=O)[O-])cc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,POQBRZKJCVVNHK-UHFFFAOYSA-N
+rxn:4:183273:227770,COc1ncc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1[N+](=O)[O-],PRBZBZXRBZDQME-UHFFFAOYSA-N
+rxn:4:183273:227804,O=[N+]([O-])c1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c([N+](=O)[O-])s1,BOTYKOCFYODEOY-UHFFFAOYSA-N
+rxn:4:183273:227815,CCC(C)c1ccccc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,UMXDCWWQLRNXFY-UHFFFAOYSA-N
+rxn:4:183273:227826,CC(C)(C)c1cccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,CLLCQGDVPXUKSB-UHFFFAOYSA-N
+rxn:4:183273:227829,c1ccc(C2CCC2)c(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,ZRFNCJHLUWSKMQ-UHFFFAOYSA-N
+rxn:4:183273:227830,CC1(c2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc2)CC1,FMKKGDHUWFFNII-UHFFFAOYSA-N
+rxn:4:183273:227846,Cn1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c2ccccc21,QIFVPLLZJPMMNX-UHFFFAOYSA-N
+rxn:4:183273:227853,Cn1ccc2c(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cccc21,GRTINFBMJLUNFG-UHFFFAOYSA-N
+rxn:4:183273:227857,Cn1ccc2cccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)c21,XFUNEMNDHDTIFD-UHFFFAOYSA-N
+rxn:4:183273:227877,Cc1cc2cc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)ccc2s1,YKPKJJJVFKDFJH-UHFFFAOYSA-N
+rxn:4:183273:227893,CN(C)Cc1cccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,SFJIHFTXMQTRKX-UHFFFAOYSA-N
+rxn:4:183273:227894,N#C/C=C/c1cccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,XWRLEZYJVIGZIB-DUXPYHPUSA-N
+rxn:4:183273:227896,N#CC=Cc1ccccc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,HFBWHQMDTBDGRT-UHFFFAOYSA-N
+rxn:4:183273:227897,N#CC=Cc1cccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,XWRLEZYJVIGZIB-UHFFFAOYSA-N
+rxn:4:183273:227903,CCN(C)c1cccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,OWMXNULLNAJCBF-UHFFFAOYSA-N
+rxn:4:183273:227926,CC(C)Sc1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1,LJVFIDLXGICRCO-UHFFFAOYSA-N
+rxn:4:183273:227928,CCOc1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)ccc1C,XKXFTVTZONZMQW-UHFFFAOYSA-N
+rxn:4:183273:227950,Cc1ccc(N(C)C)cc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,NMQRQOKMWQOCBE-UHFFFAOYSA-N
+rxn:4:183273:227951,C[N+](C)(C)c1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1,STLIGNDYGMNMLT-UHFFFAOYSA-N
+rxn:4:183273:227985,CC(C)c1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)ccc1F,DLZVXPWGAURVTI-UHFFFAOYSA-N
+rxn:4:183273:228016,c1cc2c(cc1-c1cc(C3CCCC3)cs1)OCCOCCOCCOCCOCCOCCO2,KHSBKFIBVSKWLE-UHFFFAOYSA-N
+rxn:4:183273:228031,Cn1cc2cc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)ccc2n1,UOKMFKUPQSWSRO-UHFFFAOYSA-N
+rxn:4:183273:228048,Cn1ccc2cc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cnc21,GSICEEMVJKXAJA-UHFFFAOYSA-N
+rxn:4:183273:228051,Cn1cnc2c(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cccc21,AIYIIFKGLNQZGG-UHFFFAOYSA-N
+rxn:4:183273:228086,N#CCOc1cccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,SQRZXTOCRQEHIZ-UHFFFAOYSA-N
+rxn:4:183273:228101,N#Cc1cc(C#N)cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,LMIPKUDYPMUHSR-UHFFFAOYSA-N
+rxn:4:183273:228104,N#Cc1cccc(C#N)c1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,DLEMFXMPSZEKKS-UHFFFAOYSA-N
+rxn:4:183273:228108,CCc1ncc(C#N)cc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,IHURBPUMQYLMCE-UHFFFAOYSA-N
+rxn:4:183273:228140,CC(c1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)s1)N(C)C,ZCIHPDHLUZQLAB-UHFFFAOYSA-N
+rxn:4:183273:228200,c1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)n(C2CCCC2)n1,ANWMAZNIIANKNS-UHFFFAOYSA-N
+rxn:4:183273:228210,c1cc2c(cc1-c1ccc(N3CCCC3)s1)OCCOCCOCCOCCOCCOCCO2,NAOSCWIWVPSUQA-UHFFFAOYSA-N
+rxn:4:183273:228289,Cn1nc2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc2n1,GGYLRCRXTMCZSZ-UHFFFAOYSA-N
+rxn:4:183273:228353,CN(C)c1ncc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1Cl,URFSDOUIKYUHTQ-UHFFFAOYSA-N
+rxn:4:183273:228367,Cc1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1[N+](=O)[O-],IVOIOFOLUURAFR-UHFFFAOYSA-N
+rxn:4:183273:228369,Cc1ccc([N+](=O)[O-])cc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,VLIJSIPUEZCVEI-UHFFFAOYSA-N
+rxn:4:183273:228469,Cc1ncc([N+](=O)[O-])cc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,RCIPUHZEUOYMGH-UHFFFAOYSA-N
+rxn:4:183273:228514,c1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc(C2CC2)c1,VEVGGLILDJQKPY-UHFFFAOYSA-N
+rxn:4:183273:228545,N#CCc1cccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,INXUDBINIAIWRI-UHFFFAOYSA-N
+rxn:4:183273:228552,CCOc1cccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,HPPBNGYDBHIADR-UHFFFAOYSA-N
+rxn:4:183273:228579,Cc1ccc(C#N)c(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,DGNPMLIUYTURPY-UHFFFAOYSA-N
+rxn:4:183273:228597,Cc1cccc(C#N)c1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,DFNBVZLMGMJHGT-UHFFFAOYSA-N
+rxn:4:183273:228601,CC(=O)c1ccccc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,DTPQPVKDJMNCEW-UHFFFAOYSA-N
+rxn:4:183273:228693,CCN(C)c1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)s1,WOXXQDMOVCLLRT-UHFFFAOYSA-N
+rxn:4:183273:228700,CN(C)c1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cn1,JGOJIRUEIGRLNJ-UHFFFAOYSA-N
+rxn:4:183273:228703,c1cc2c(cc1-c1cnn(C3CCC3)c1)OCCOCCOCCOCCOCCOCCO2,SUDQBFRLCXHBMU-UHFFFAOYSA-N
+rxn:4:183273:228704,CCn1nc(C)c(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1C,ROHHDLGOVJWVJP-UHFFFAOYSA-N
+rxn:4:183273:228705,CN(C)c1ncccc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,AABDMNFRBNUWRY-UHFFFAOYSA-N
+rxn:4:183273:228706,CN(C)c1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)ccn1,KWOKDUSRCVHYEQ-UHFFFAOYSA-N
+rxn:4:183273:228712,c1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)n(C2CCC2)n1,YZHYERGAQCHMPV-UHFFFAOYSA-N
+rxn:4:183273:228721,CC(C)(C)n1nccc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,JXIHTDUXTBRTJA-UHFFFAOYSA-N
+rxn:4:183273:228751,N#Cc1cc(Cl)ccc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,IXIWJOKPDMKUKT-UHFFFAOYSA-N
+rxn:4:183273:228803,C[Si](C)(C)c1csc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,VSAAKDPFZWDLJN-UHFFFAOYSA-N
+rxn:4:183273:228893,O=[N+]([O-])c1cccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,OWBZKFZXCCXRIM-UHFFFAOYSA-N
+rxn:4:183273:228964,COC(=O)c1ncc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)s1,UYSYDVDBOAOKDS-UHFFFAOYSA-N
+rxn:4:183273:228965,O=[N+]([O-])c1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cn1,SOVHQEUXYGTXNU-UHFFFAOYSA-N
+rxn:4:183273:229062,Cn1c(C#N)ccc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,FWHZCKUTXOVBAT-UHFFFAOYSA-N
+rxn:4:183273:229069,COc1ncccc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,RIFSXTXXTPUFCC-UHFFFAOYSA-N
+rxn:4:183273:229146,COCn1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cn1,BDDSUGHRLZEELN-UHFFFAOYSA-N
+rxn:4:183273:229152,Cn1ncc(C#N)c1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,RKOIZJZKPUOBNB-UHFFFAOYSA-N
+rxn:4:183273:229167,CN(C)c1nc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cs1,VIQCDEDRXJJONG-UHFFFAOYSA-N
+rxn:4:183273:229230,N#Cc1csc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,GWOSLUFQCWWXAR-UHFFFAOYSA-N
+rxn:4:183273:229248,Cc1cnn(C)c1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,IPWSLXXMGUZIQJ-UHFFFAOYSA-N
+rxn:4:183273:229269,CCn1ncc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)n1,UTPBCVUPZNDYPY-UHFFFAOYSA-N
+rxn:4:183274:227592,COc1cc(F)cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCOCCO3)c1OC,LLJOAGKKHYAFCK-UHFFFAOYSA-N
+rxn:4:183603:223649,CN(C)CCOc1ccc(OC(F)(F)F)cc1-c1cccc(N2CCN(C(=O)OC(C)(C)C)CC2)c1,JBZYIQGUGFWCMT-UHFFFAOYSA-N
+rxn:4:183645:225433,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc(CSC3CCCC3)cc2)cc1OCC(F)F,BUQWPILDDADEHJ-UHFFFAOYSA-N
+rxn:4:183704:225196,O=C(OC(F)(F)F)N1CCC[C@H]1COc1ccc(-c2cc(Cl)c(F)c(OC3CCCC3)c2)cc1F,RIIXDWGTPZGGOW-INIZCTEOSA-N
+rxn:4:183733:224251,CC1CCCN(C(=O)c2ccc(-c3ccc(S(=O)(=O)CCC(=O)c4cccc([N+](=O)[O-])c4)cc3)c(F)c2)C1,RFMYCSSDMLFGOS-UHFFFAOYSA-N
+rxn:4:183831:223663,CC(C)(C)OC(=O)N(Cc1ccc(F)cc1-c1cc(OCc2ccccc2)cc(OC(F)(F)F)c1)C1CC1,PSNMHZDTEURWEB-UHFFFAOYSA-N
+rxn:4:183862:224423,CCC[C@H]1CC[C@H](c2ccc(-c3ccc(OCC4CCN(CC(=O)OC)CC4)cc3)cc2)CC1,GUEPKXAGYRGBSB-ALOJWSFFSA-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:4:183896:224941,COc1ccc(-c2ccc(CCN3CCOCC3)cc2)c(C(=O)N2CC(S(=O)(=O)Cc3ccco3)C2)c1,GEGPUMLJDUZFPP-UHFFFAOYSA-N
+rxn:4:183999:224977,CC(C)(C)OC(=O)N(Cc1ccc(-c2ccc(N3CCCCC3)c(C#N)c2)c(F)c1)C1CCCC1,LTOYQCJVBGIARH-UHFFFAOYSA-N
+rxn:4:184006:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc(N(C(=O)c4ccc(OC)c(OC)c4)C4C=CS(=O)(=O)C4)cc3)cc2)CC1,YQTUQSJHKKPOLT-UHFFFAOYSA-N
+rxn:4:184032:223752,CC(C)(C)OC(=O)N1CCCCC1COc1cc(F)cc(-c2ccccc2CN2C(=O)c3ccccc3C2=O)c1,NUXWVHAJTVREKZ-UHFFFAOYSA-N
+rxn:4:184033:227007,CC(C)OCc1cccc(-c2ccc(S(=O)(=O)OC3CCCN(C(=O)OC(C)(C)C)C3)cc2)c1,QGBLPPGQVOUVNJ-UHFFFAOYSA-N
+rxn:4:184068:225805,CC(c1ccc(-c2ccccc2CCC(=O)N2CC(S(=O)(=O)C3CCCCC3)C2)s1)N1CCOCC1,GEMZCGCZQCWSMZ-UHFFFAOYSA-N
+rxn:4:184081:222741,COc1cc(C=C2N=C(c3ccccc3Cl)OC2=O)ccc1OCc1ccccc1-c1cc(C2CC2)nc(C2CCCNC2)c1,OOLSNSYCHCFOEI-UHFFFAOYSA-N
+rxn:4:184085:228477,Cc1c(OCC2CCN(C(=O)OC(C)(C)C)CC2)cccc1-c1cnccc1C(F)(F)F,IPWMSHMILAYREV-UHFFFAOYSA-N
+rxn:4:184087:226556,CCCOc1cc(-c2ccc(CN(C(=O)C3=C(c4ccccc4)SCCO3)C3CCS(=O)(=O)C3)o2)cc(Cl)c1F,NSOMVTRZPQFRDZ-UHFFFAOYSA-N
+rxn:4:184095:222886,CC(C)(C)[Si](C)(C)OC[C@H]1CCCN1S(=O)(=O)c1ccc(-c2ccc(N3CCNCC3)cc2C#N)cc1,YMEHJKJBYUBURT-RUZDIDTESA-N
+rxn:4:184096:225513,COc1ccc2cc(-c3ccc(CN(C(=O)OC(C)(C)C)C4CCC(C)(C)CC4)cc3)ccc2c1Cl,LLEHNVVFOMLSOI-UHFFFAOYSA-N
+rxn:4:184099:222526,CC(c1ccc(-c2cc3cc(OCc4ccccc4)ccc3[nH]2)cc1)N(C(=O)OC(C)(C)C)C1CCC(C)(C)CC1,HVZUMAQUSWOMTM-UHFFFAOYSA-N
+rxn:4:184099:224034,CCCCc1ccc(-c2ccc(-c3ccc(C(C)N(C(=O)OC(C)(C)C)C4CCC(C)(C)CC4)cc3)cc2)cc1,JYZXVOFQMVGZGY-UHFFFAOYSA-N
+rxn:4:184128:223748,COC(=O)c1c(C)oc2cc(-c3cc(N4CCCCC4)cc(N4CCCCC4)c3)c(OC(=O)c3ccc([N+](=O)[O-])cc3)cc12,SNWNSKYDLAXJRW-UHFFFAOYSA-N
+rxn:4:184222:223079,CC(C)NS(=O)(=O)c1cccc(-c2ccc(CN(C(=O)OC(C)(C)C)C3CCCCC3)c3ccccc23)c1,BGQAJJRPNLGCKR-UHFFFAOYSA-N
+rxn:4:184249:224060,COc1c(C(C)(C)C)cc(-c2cccc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)c2OCc2ccccc2)cc1C(C)(C)C,BKAXZJXZMOGOLX-UHFFFAOYSA-N
+rxn:4:184260:223928,COC(=O)Cc1nc(-c2cnc3c(c2)CN(C(=O)OC(C)(C)C)CC3)sc1C(=O)OC,WIAYQWUKEZDHPI-UHFFFAOYSA-N
+rxn:4:184307:224552,COC(=O)c1cc([N+](=O)[O-])c(-c2cc(F)cc(COC3CCCCC3)c2)cc1OC(F)(F)F,VIGBWGIBHYMIES-UHFFFAOYSA-N
+rxn:4:184308:225338,O=[N+]([O-])c1ccc(OC(C(F)(F)F)C(F)(F)F)cc1-c1ccc(F)c(COCC(F)(F)F)c1,WSKSGEFJEXHJDH-UHFFFAOYSA-N
+rxn:4:184738:223823,CC(C)(C)OC(=O)N1CCC(n2cc(-c3ccc(C(=O)N4CCC4)c(OCC(F)(F)F)c3)cn2)CC1,JVLPWUZHXGAMMJ-UHFFFAOYSA-N
+rxn:4:184747:223895,CCOC(=O)c1sc(-c2ccc(OCCN3CCN(CC)CC3)cc2)nc1-c1ccc(C(F)(F)F)cc1,VXAKONQOPAVWTO-UHFFFAOYSA-N
+rxn:4:184771:224668,CCN1CCN(c2cc(F)cc(-c3ccc(C(F)(F)F)c(C(=O)N(CC)CC)c3)c2)CC1,FUHRQQPAIYIUIA-UHFFFAOYSA-N
+rxn:4:184872:222710,CCCOc1cc(-c2cc(S(=O)(=O)NC(C)(C)C)ccc2OC)ccc1C(=O)N1CCC1,FIMKJWHKSJYCGZ-UHFFFAOYSA-N
+rxn:4:184908:224403,COc1ccc(OCC(=O)N2CCCC2)c(-c2cnc(N3CCOCC3)c(C(F)(F)F)c2)c1,OXPBZMROESGFIN-UHFFFAOYSA-N
+rxn:4:184930:225910,CCOc1cc(C(F)(F)F)ccc1-c1cc(C(F)(F)F)ccc1OCC(=O)N1CCOCC1,BXLQNRFQKSPWNS-UHFFFAOYSA-N
+rxn:4:184931:224501,COC(=O)CN1C(=O)C(=Cc2ccc(OC)c(-c3ccc(OCC4CCCCN4C)cc3)c2)SC1=S,DULXZBCLQVTFOP-UHFFFAOYSA-N
+rxn:4:184937:223529,CCN(CC)Cc1ccc(S(C)(=O)=O)cc1-c1ccc(CN2CCN(C(=O)OC(C)(C)C)CC2)c(F)c1,VNJSKEIBAOLXIQ-UHFFFAOYSA-N
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+rxn:5:190484:223142:227507,O=C(c1cccc(-c2ccc(C3CCCNC3)nc2)c1)N1CCC(c2ccccc2-c2cccc(C=C[N+](=O)[O-])c2)S(=O)(=O)CC1,KOGFHBPEWMPNIZ-UHFFFAOYSA-N
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+rxn:5:190742:225803:225655,CCOC(=O)c1cnc2c(C)ccc(-c3ccnc(OC4CCOCC4)c3)c2c1-c1cncc(N2CCC(C)CC2)c1,MYPBTNGKDDHIEX-UHFFFAOYSA-N
+rxn:5:190742:225976:223065,CCOC(=O)c1cnc2c(C)ccc(-c3ccnc(N4CCOCC4)c3F)c2c1-c1ccc(N2CCNCC2)cc1F,OVDQLBRDWKXLLW-UHFFFAOYSA-N
+rxn:5:190742:225976:225849,CCOC(=O)c1cnc2c(C)ccc(-c3ccnc(N4CCOCC4)c3F)c2c1-c1cnc(N2CCCCC2)cc1F,YPMOCIITGOIVCE-UHFFFAOYSA-N
+rxn:5:190743:223062:225982,CCOC(=O)c1cnc2c(C)c(-c3cnc(C4CCNCC4)cc3F)ccc2c1-c1cnc(N2CCOCC2)cc1F,HFYKKWUQCLYIKT-UHFFFAOYSA-N
+rxn:5:190743:225982:223064,CCOC(=O)c1cnc2c(C)c(-c3cnc(N4CCOCC4)cc3F)ccc2c1-c1ccc(C2CCNCC2)nc1F,NNXQEHPXIBIIQZ-UHFFFAOYSA-N
+rxn:5:190744:223062:225980,CCOC(=O)c1cnc2c(-c3cnc(C4CCNCC4)cc3F)c(C)ccc2c1-c1cc(N2CCOCC2)ncc1F,PDMZNPZGUXEKNF-UHFFFAOYSA-N
+rxn:5:190744:225834:225656,CCOC(=O)c1cnc2c(-c3cc(N4CCCCC4)ncc3F)c(C)ccc2c1-c1cncc(N2CCCCC2C)c1,ONGYWGDXZFNBKS-UHFFFAOYSA-N
+rxn:5:190796:223061:223144,CC(C)(C)OC(=O)n1cc(-c2cc(C3CCNCC3)ncc2F)c2c(-c3ccc(N4CCC(O)C4)cc3)cccc21,MUNUSYWVGIFNKI-UHFFFAOYSA-N
+rxn:5:190798:223018:226062,CC(C)c1cc(-c2ccc3c(c2)c(-c2ccc4c(c2)NC(=O)C(C)(C)O4)cn3C(=O)OC(C)(C)C)cc(C(C)C)c1,KEIPLRZXRAUNEU-UHFFFAOYSA-N
+rxn:5:190798:225395:226058,CC(C)c1cccc(C(C)C)c1-c1ccc2c(c1)c(-c1cc(C3CC3)cc(C(C)(C)C)c1)cn2C(=O)OC(C)(C)C,FWZMCZIVZICSMS-UHFFFAOYSA-N
+rxn:5:190799:226151:225450,Cc1cc(OC(C)C)c(-c2c(-c3ccc(C(=O)C4CCCC4)cc3)ccc3c2ccn3C(=O)OC(C)(C)C)cc1C,QIOIUFQZQYYYPM-UHFFFAOYSA-N
+rxn:5:190833:226973:227908,CC(C)Cc1ncccc1-c1ccc(-c2ccc3c(c2)C(C)(C)CO3)c2c1CN(C(=O)OC(C)(C)C)C2=O,TVNCXNDSHHYRPP-UHFFFAOYSA-N
+rxn:5:190833:227810:227048,CCC(C)c1ccc(-c2ccc(-c3ccc(C(=O)C(C)C)cc3)c3c2C(=O)N(C(=O)OC(C)(C)C)C3)cc1,GGQFKAZXCLTLRS-UHFFFAOYSA-N
+rxn:5:190833:227912:227076,CCC(C)c1ccc(F)c(-c2ccc(-c3ccc(C(C)OC)cc3)c3c2CN(C(=O)OC(C)(C)C)C3=O)c1,MLQJLXOSAZTQSE-UHFFFAOYSA-N
+rxn:5:190859:227084:227048,Cc1nc(C(C)(C)C)ccc1-c1ccc2c(c1-c1ccc(C(=O)C(C)C)cc1)CCN2C(=O)OC(C)(C)C,LVOVYAKMRSPGFS-UHFFFAOYSA-N
+rxn:5:190998:226366:226679,COC(=O)c1cc(-c2cnc(N3CCCC3)cc2F)ccc1N1Cc2cc(-c3ccnc(N4CCCCC4)c3)ccc2OCC1=O,KTUOYGSLDMNBHH-UHFFFAOYSA-N
+rxn:5:190998:227077:226140,CCC(C)c1ccc(-c2ccc3c(c2)CN(c2ccc(-c4cc(C(C)(C)C)ccc4OC)cc2C(=O)OC)C(=O)CO3)c(F)c1,DRCNLXDXCBGXBS-UHFFFAOYSA-N
+rxn:5:190998:227940:226154,CCc1cc(SC)cc(-c2ccc3c(c2)CN(c2ccc(-c4ccc(C(C)(C)C)cc4OC)cc2C(=O)OC)C(=O)CO3)c1,ABQKZBFWOZRKGC-UHFFFAOYSA-N
+rxn:5:190998:228146:226059,CCc1cncc(-c2ccc3c(c2)CN(c2ccc(-c4ccc(C(C)C)cc4C(C)C)cc2C(=O)OC)C(=O)CO3)c1OC,LNUAHWREQMWOIC-UHFFFAOYSA-N
+rxn:5:191026:223016:225946,COC(=O)C1=CN(c2ccc(C)c(-c3cc(C(C)=O)cc(C(F)(F)F)c3)c2)c2cc(-c3cc(C(=O)OC)c4cc[nH]c4c3)ccc2S1(=O)=O,OVOMDVXBWYXKCN-UHFFFAOYSA-N
+rxn:5:191026:226911:226910,CCc1cc(C)cc(CC)c1-c1ccc2c(c1)N(c1ccc(C)c(-c3ccc(C(C)(C)CC)cc3)c1)C=C(C(=O)OC)S2(=O)=O,BXCZLTRKQRZKND-UHFFFAOYSA-N
+rxn:5:191026:227076:227065,CCC(C)c1ccc(F)c(-c2ccc3c(c2)N(c2ccc(C)c(-c4cccc(C(=O)C(C)C)c4)c2)C=C(C(=O)OC)S3(=O)=O)c1,FEQKZBRQEFIPLY-UHFFFAOYSA-N
+rxn:5:191026:227076:227523,CCC(C)c1ccc(F)c(-c2ccc3c(c2)N(c2ccc(C)c(-c4cc(C)ncc4C(=O)OC)c2)C=C(C(=O)OC)S3(=O)=O)c1,HQCGVTUVJJZICS-UHFFFAOYSA-N
+rxn:5:191026:227778:228219,COC(=O)C1=CN(c2ccc(C)c(-c3cnc(C(C)C)cc3F)c2)c2cc(-c3cc(F)cc(F)c3[N+](=O)[O-])ccc2S1(=O)=O,IUEICXJQUCYDIM-UHFFFAOYSA-N
+rxn:5:191026:227823:226910,CCC(C)(C)c1ccc(-c2cc(N3C=C(C(=O)OC)S(=O)(=O)c4ccc(-c5ccccc5C(C)(C)C)cc43)ccc2C)cc1,PYASXJYXAJOWHB-UHFFFAOYSA-N
+rxn:5:192234:223139:225607,COc1c(-c2ccc(C(C)N3CCCCC3)s2)cc(-c2ccc(C3CCNCC3)nc2)cc1S(N)(=O)=O,AEPVDCVQTVBMGR-UHFFFAOYSA-N
+rxn:5:193050:226032:226343,COc1cc(-c2ccc(-c3ccc(OC4CCOC4)cc3)c(C(=O)N3CCCC3)c2)c(F)c(C(F)(F)F)c1,AZDNUXAHMGIVNS-UHFFFAOYSA-N
+rxn:5:193051:225946:226652,CC(=O)c1cc(-c2ccc(CN3CCCC3=O)c(-c3cc(C)nn3C3CCCCO3)c2)cc(C(F)(F)F)c1,DMRCUEZSJVTPFA-UHFFFAOYSA-N
+rxn:5:193229:223062:225655,CC1CCN(c2cncc(-c3c(C(=O)N4CCOCC4)cccc3-c3cnc(C4CCNCC4)cc3F)c2)CC1,BCMXTDPGXYGXNH-UHFFFAOYSA-N
+rxn:5:193229:226033:226887,COc1cc(-c2cccc(C(=O)N3CCOCC3)c2-c2ccc(F)c(C(F)(F)F)c2F)cc(C(F)(F)F)c1F,XXGUDSJUBTZBRW-UHFFFAOYSA-N
+rxn:5:193230:226571:223006,O=C(c1ccc(-c2cnn(CC3CCOCC3)c2)cc1-c1ccc(F)c(C2CCNCC2)c1)N1CCOCC1,RYMLLNBRGXADGV-UHFFFAOYSA-N
+rxn:5:193337:225833:225946,CC(=O)c1cc(-c2ccc(-c3ccnc(N4CCCCC4)c3F)cc2CN2CCOCC2)cc(C(F)(F)F)c1,GJGGKCGVGHVGMG-UHFFFAOYSA-N
+rxn:5:193338:226147:225926,Cc1cc(OC(C)C)cc(C)c1-c1cc(CN2CCOCC2)cc(-c2ccc(S(=O)(=O)N3CCC3)cc2)c1,LSSFFPDOIMIRAS-UHFFFAOYSA-N
+rxn:5:193382:222985:225641,Cc1nc(C2CCCNC2)ccc1-c1ccc(S(=O)(=O)N2CCOCC2)c(-c2ccnc(N3CCCC(C)C3)c2)c1,BSRLWOJGXXQPRN-UHFFFAOYSA-N
+rxn:5:193382:222986:225881,Cc1cc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3ccc(C4CCOCC4)nc3F)c2)cc(C2CCCNC2)n1,SIQIBHNRAAWKFY-UHFFFAOYSA-N
+rxn:5:193382:222987:226643,Cc1nc(C2CCNCC2)ccc1-c1ccc(S(=O)(=O)N2CCOCC2)c(-c2ccc(N3CCOCC3)nc2)c1,NFPWZFHJZNIVOB-UHFFFAOYSA-N
+rxn:5:193382:222996:223241,O=S(=O)(c1ccc(-c2ccc(F)cc2C2CCCNC2)cc1-c1cncc(C2CCNC2)c1)N1CCOCC1,BTKVDJRABFZBIM-UHFFFAOYSA-N
+rxn:5:193382:223001:223061,O=S(=O)(c1ccc(-c2cc(C3CCCNC3)ccc2F)cc1-c1cc(C2CCNCC2)ncc1F)N1CCOCC1,VWQBQBBJPMDLCO-UHFFFAOYSA-N
+rxn:5:193382:223008:225976,O=S(=O)(c1ccc(-c2cc(C3CCNCC3)ccc2F)cc1-c1ccnc(N2CCOCC2)c1F)N1CCOCC1,MCEWPSWAQABHOW-UHFFFAOYSA-N
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