urdof7 commited on
Commit
b4928c6
·
verified ·
1 Parent(s): c772bf0

Added 301 molecules from epoch 17722 for Q9BY41

Browse files
Files changed (1) hide show
  1. Q9BY41_molecules.csv +301 -0
Q9BY41_molecules.csv CHANGED
@@ -35673,3 +35673,304 @@ rxn:3:6999:43235:75644,COc1ccc(C#CCn2cc(-c3nccnc3C#N)nn2)c(C(=O)NCC(F)(F)C(OC)C2
35673
  rxn:3:7075:43417:168103,CN1CCN(c2ncccc2-c2cn(C3C=CCC(C(=O)Nc4ccc5ccc(S(=O)(=O)[O-])cc5c4)C3)nn2)CC1,ZMINIESRXRIBGQ-UHFFFAOYSA-M
35674
  rxn:3:709:42910:75644,CC=Cc1cn(CC#Cc2ccc(C(=O)NCC(F)(F)C(OC)C3CC3)c(C)c2)nn1,XLDVYBLRJSDYII-UHFFFAOYSA-N
35675
  rxn:3:7196:64382:73487,C[Si](C)(C)C1CC(NC(=O)c2c(F)ccc(N3CC(Cn4cc(-c5ccn6nccc6n5)nn4)CC3=O)c2F)C1,VBKXWWMFYLITFD-UHFFFAOYSA-N
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
35673
  rxn:3:7075:43417:168103,CN1CCN(c2ncccc2-c2cn(C3C=CCC(C(=O)Nc4ccc5ccc(S(=O)(=O)[O-])cc5c4)C3)nn2)CC1,ZMINIESRXRIBGQ-UHFFFAOYSA-M
35674
  rxn:3:709:42910:75644,CC=Cc1cn(CC#Cc2ccc(C(=O)NCC(F)(F)C(OC)C3CC3)c(C)c2)nn1,XLDVYBLRJSDYII-UHFFFAOYSA-N
35675
  rxn:3:7196:64382:73487,C[Si](C)(C)C1CC(NC(=O)c2c(F)ccc(N3CC(Cn4cc(-c5ccn6nccc6n5)nn4)CC3=O)c2F)C1,VBKXWWMFYLITFD-UHFFFAOYSA-N
35676
+ rxn:2:100097:157049,CN(C)CCC1CCC(NC2CC3(CS(=O)(=O)C3)Oc3ccccc32)CC1,VEYIZLLTNOHOLP-UHFFFAOYSA-N
35677
+ rxn:2:100234:147241,CC(NC1(c2nc(N3CCOCC3)n[nH]2)CC1)c1ccc(OC2CS(=O)(=O)CC2N(C)C)cc1,JGYOPKOBRKNSTF-UHFFFAOYSA-N
35678
+ rxn:2:100605:149518,CC(NC1(c2ncc(C3CCN(C)CC3)[nH]2)CC1)c1ccc(N2CCS(=O)(=O)CC2)cc1,VZXVZEFUCYFHRX-UHFFFAOYSA-N
35679
+ rxn:2:100647:83879,CSc1ccc(C(NCc2cn(C3CC3)nc2C(C)C)C(C)(C)N2CCOCC2)cc1,LKSRTEDECHMCGI-UHFFFAOYSA-N
35680
+ rxn:2:100822:78954,CN1CCc2cnc(C3CC(NC(C#C[Si](C)(C)C)CCc4ccccc4)CCN3C)cc21,NHIUKBZGZKOFPV-UHFFFAOYSA-N
35681
+ rxn:2:101606:123425,CC(C)(C)C(Cc1ccc(C2CCCC2)cc1)NC1CC[Si](C)(C)CC1,YNVWYYGUNXVNMX-UHFFFAOYSA-N
35682
+ rxn:2:101873:107703,COc1ccc(C(CS(C)(=O)=O)NC2CCN(c3cc(C4CCOCC4)ncn3)C2)cc1,ITWWJWJMPBURML-UHFFFAOYSA-N
35683
+ rxn:2:101959:78954,C[Si](C)(C)C#CC(CCc1ccccc1)NCc1nn(C2CCCOC2)c2c1C1CC1C2,IOSKJZIMYLVMPK-UHFFFAOYSA-N
35684
+ rxn:2:102322:151596,CC(CCCCn1c(=O)c2ncn(C)c2n(C)c1=O)Nc1c(C2CC2)cnn1CC1CC1(F)F,ZNAIGURUAPVYIE-UHFFFAOYSA-N
35685
+ rxn:2:102443:155159,CS(=O)(=O)c1ccc(C(CC2=NCCO2)NOCCC2CC2(F)F)cc1,RAIYNLGULBNCOI-UHFFFAOYSA-N
35686
+ rxn:2:102511:107703,COc1ccc(C(CS(C)(=O)=O)NC2CCN(c3cc(CC(C)(C)C)ncn3)CC2)cc1,CGMFMTXHYJXUNP-UHFFFAOYSA-N
35687
+ rxn:2:102686:104818,CC1(C)CCC(NC(c2ccncc2)C2C3CC4CC(C3)CC2C4)CC(C)(C)C1,HJUWJDUHFZVUGC-UHFFFAOYSA-N
35688
+ rxn:2:102904:147241,CC(Nc1cc(N2CCN(C)CC2)[nH]n1)c1ccc(OC2CS(=O)(=O)CC2N(C)C)cc1,ABBSHIFUDOBYBH-UHFFFAOYSA-N
35689
+ rxn:2:103252:141967,CC1(C)C(C[Si](C)(C)C)CC1NCC(C1CCCC1)N1CCCc2ccccc21,XNHAGSAIPLNSKS-UHFFFAOYSA-N
35690
+ rxn:2:103458:106485,COc1ccc(OC)c(C(CC2=NCCO2)NCc2cccc(N3CCS(=O)(=O)CC3)n2)c1,JJARNFLBECINTG-UHFFFAOYSA-N
35691
+ rxn:2:103458:132301,CC(C)(C)C(NCc1cccc(N2CCS(=O)(=O)CC2)n1)Oc1ccc2c(c1)OCCC2=O,JFZDWRNXFGKRRM-UHFFFAOYSA-N
35692
+ rxn:2:103596:137294,CCC(Nc1[nH]nc(C2CCCCC2)c1S(C)(=O)=O)c1ccc(N2CCC(F)CC2)cc1,FZURQKMRCNWWDW-UHFFFAOYSA-N
35693
+ rxn:2:103748:143973,O=S1(=O)N=C(N2CCC(NCc3nccc(N4CCC(F)(F)CC4)n3)CC2)c2ccccc21,RIAZFPAXLGIVHS-UHFFFAOYSA-N
35694
+ rxn:2:103748:160422,CS(=O)(=O)c1ccc(N2CCC(NCc3nccc(N4CCC(F)(F)CC4)n3)CC2)cc1,DQBFUUDKJVLQNR-UHFFFAOYSA-N
35695
+ rxn:2:103748:166005,CS(=O)(=O)c1cccc(N2CCC(NCc3nccc(N4CCC(F)(F)CC4)n3)CC2)c1,JGUWPHNJCXCNMO-UHFFFAOYSA-N
35696
+ rxn:2:103860:120035,CC1(C)Cc2c(ccn2C2CC2(C)C)C(NC2CC3CCC(C2)N3c2ccccc2)C1,LNUWDNFDHZMMOB-UHFFFAOYSA-N
35697
+ rxn:2:104175:103107,CCC(Nc1ccc(N2CC(COC)C(C)(C)C2)nc1)c1cnc(N2CCN(C)CC2)c(C)c1,SZXPPBZBVYERJY-UHFFFAOYSA-N
35698
+ rxn:2:104198:78954,C[Si](C)(C)C#CC(CCc1ccccc1)NCCC(C1CCC1)C1CCC1,WFEIMNCDHRAONW-UHFFFAOYSA-N
35699
+ rxn:2:104889:167512,CC(NCC1C(c2cnc(N(C)C)nc2)C1(F)F)c1cn(N2CCN(C)CC2)c(=O)[nH]c1=O,ILYPOGKXTCSHAM-UHFFFAOYSA-N
35700
+ rxn:2:104957:154391,CC(CCCCn1c(=O)c2nc[nH]c2n(C)c1=O)Nc1c(C2CCCC2)cnn1CC1CC1(F)F,KIISQKDUCJMBCX-UHFFFAOYSA-N
35701
+ rxn:2:105038:72574,CC1CCC(Nc2cccc(C3(S(C)(=O)=O)CC3)c2)C(CN(C)Cc2nccn2C)C1,VKUJPCVNWUNPMB-UHFFFAOYSA-N
35702
+ rxn:2:105051:104465,CC(C)Oc1ncncc1N1CCC(NCCC(F)(F)c2ccc(S(C)(=O)=O)cc2)CC1,HIQQMBYGKBVEEI-UHFFFAOYSA-N
35703
+ rxn:2:105350:118209,CCCN1CCOc2ccc(C(CC)NCc3ccnc(N4CCS(=O)(=O)CC4)n3)cc21,PMWQVQVIDNEFRD-UHFFFAOYSA-N
35704
+ rxn:2:105451:107703,COc1ccc(C(CS(C)(=O)=O)NC2CCCN(c3cc(CC(C)(C)C)ncn3)C2)cc1,FLYXQIOCUYWWFG-UHFFFAOYSA-N
35705
+ rxn:2:105712:154155,CC1CCN(C)CC(CNC2COc3ccc(-c4cnn(S(C)(=O)=O)c4)cc32)N1C1CC1,ZXLDCSKOJLKYGH-UHFFFAOYSA-N
35706
+ rxn:2:106088:107703,CCCN1CC2CCC(C1)C2NC(CS(C)(=O)=O)c1ccc(OC)cc1,KCMXAVIRUYNEKN-UHFFFAOYSA-N
35707
+ rxn:2:106383:126442,CCC(Nc1cccc(CS(=O)(=O)C(C)(C)C)c1)c1cnc(N2CCCCCC2)c(C)c1,GSTXWUABRMAOIB-UHFFFAOYSA-N
35708
+ rxn:2:106485:133952,COc1ccc(OC)c(C(CC2=NCCO2)NCC(C)(C)S(=O)(=O)c2ccn(C)n2)c1,ZKUGDWPZZMVCMI-UHFFFAOYSA-N
35709
+ rxn:2:106590:78954,C[Si](C)(C)C#CC(CCc1ccccc1)NCc1cc(C2CCC2)n(C2CCSC2)n1,PUVZVANTIBZHOB-UHFFFAOYSA-N
35710
+ rxn:2:107304:100862,CC(C)c1nc2c([nH]1)C(NCC1(N(C)C)CCC(F)(F)CC1)CCC2,OAKYKWYJKQLKTO-UHFFFAOYSA-N
35711
+ rxn:2:107304:144920,CC(C)Oc1cccc(-c2cn[nH]c(=O)c2C(C)NCC2(N(C)C)CCC(F)(F)CC2)c1,BFYMUGZNMDOXTM-UHFFFAOYSA-N
35712
+ rxn:2:107327:153335,CCS(=O)(=O)c1ccc(C(NC(c2ccncc2)C2CCN(C)CC2)C2CCCC2)cc1,GURNPAVATQALHL-UHFFFAOYSA-N
35713
+ rxn:2:107562:165086,CC(NCC1(CS(=O)(=O)F)CCC1)c1ccnc(-c2ccc(N3CCN(C)CC3)nc2)c1,XFOPFDFJQRTNJL-UHFFFAOYSA-N
35714
+ rxn:2:107906:112608,CC1CCC(Cn2c(NC(c3ccccc3)C(F)N3CN(F)C=N3)cc(=O)[nH]c2=O)CC1,PGXCRWFLHRYZRL-UHFFFAOYSA-N
35715
+ rxn:2:107980:121598,CC(C1CC1(F)F)n1ncc(C2CCC2)c1NC(c1cccc(S(C)(=O)=O)c1)C1CC1,OCIGSYVLUCWNQK-UHFFFAOYSA-N
35716
+ rxn:2:107980:153993,CC(C1CC1(F)F)n1ncc(C2CCC2)c1NC1CCCc2c(-c3cnn(S(C)(=O)=O)c3)cccc21,LCVMRTDKHSOOPX-UHFFFAOYSA-N
35717
+ rxn:2:109142:111942,CCCS(=O)(=O)n1cc(NC(CN(C)C)c2cc(C(C)C)cc3c2OCCCC3)cn1,JEEYGKWWTOOGTJ-UHFFFAOYSA-N
35718
+ rxn:2:109209:166005,CS(=O)(=O)c1cccc(N2CCC(NC3CCN(c4cc(C5CC5)nc(C5CC5)n4)C3)CC2)c1,SLONXDHGJVXDRK-UHFFFAOYSA-N
35719
+ rxn:2:109225:141967,CC1CCC(C)C(c2ccccc2NC2CC(C[Si](C)(C)C)C2(C)C)C1,FBJHNVVDVHMIFA-UHFFFAOYSA-N
35720
+ rxn:2:109582:154391,COC1(C(F)(F)CNC(C)CCCCn2c(=O)c3nc[nH]c3n(C)c2=O)CCC1,HMTQNDRMILIJKJ-UHFFFAOYSA-N
35721
+ rxn:2:109992:147241,CC(NC1COc2cnccc2C1N1CCOCC1)c1ccc(OC2CS(=O)(=O)CC2N(C)C)cc1,JTIRXFPPPWVSAU-UHFFFAOYSA-N
35722
+ rxn:2:110489:153537,Cc1ccc(C)c(C(Nc2cncnc2OC2CCCC(N(C)C)C2)C(C)S(C)(=O)=O)c1,ZZUZFQIITVYZFW-UHFFFAOYSA-N
35723
+ rxn:2:111326:78954,CCc1nc(C(NC(C#C[Si](C)(C)C)CCc2ccccc2)C2CCCCC2)n(C)n1,UAIDHJILKWWTQM-UHFFFAOYSA-N
35724
+ rxn:2:111378:147883,Cc1nc2nc(N3CCOCC3)[nH]c(=O)c2cc1C(C)NCC(F)(F)CN(C)C(C)C,SWDSQMFWSYTKHZ-UHFFFAOYSA-N
35725
+ rxn:2:111378:168553,Cc1nc2nc(N3CCCCC3)[nH]c(=O)c2cc1C(C)NCC(F)(F)CN(C)C(C)C,OOEDYNUEGFMPCY-UHFFFAOYSA-N
35726
+ rxn:2:111580:122080,CC(CCS(=O)(=O)F)NC1CCN(c2ncc(C3CCN(C)C3)cn2)C1,WJTDUUPOWIZFKT-UHFFFAOYSA-N
35727
+ rxn:2:111692:149479,Cc1ccnc(N2CCC(CCNC3CC4(CCS(=O)(=O)CC4)Oc4ccc(C)cc43)CC2)c1,GUQDADOVTVNJEM-UHFFFAOYSA-N
35728
+ rxn:2:111704:141967,CC1(C)C(C[Si](C)(C)C)CC1NC(c1cccc(C2CC2)c1)C1CCC1,ZIIFPRHKGQEVPK-UHFFFAOYSA-N
35729
+ rxn:2:111865:75187,CC(C)(C)CCCCC(Nc1c(C2CCC2)c(C2CC2)nn1C(C)(C)C)c1ccccc1,UCGSLDZKAJNRCX-UHFFFAOYSA-N
35730
+ rxn:2:111941:154180,CC(C)C1C(CCNC2COc3cc(-c4cnn(S(C)(=O)=O)c4)ccc32)CCCN1C1CC1,JZSGWCSPGMOUKN-UHFFFAOYSA-N
35731
+ rxn:2:112123:135617,CCS(=O)(=O)c1cnc(NC(c2ccc(CN3CCOCC3)cc2)C2CC2)nc1C1CC1,NASUGIFZVWKCCE-UHFFFAOYSA-N
35732
+ rxn:2:112174:151806,CC(F)(F)C1CCN(c2ccc(NC(CS(C)(=O)=O)c3ccc4c(c3)CCC4)cn2)CC1,DZGHLFMPDVYZGH-UHFFFAOYSA-N
35733
+ rxn:2:112174:157231,CC(C)(C)c1nn(C(Nc2ccc(N3CCC(C(C)(F)F)CC3)nc2)C2CC2)c2c1C(=O)c1ccccc1-2,ABFSHBWBSXWGFS-UHFFFAOYSA-N
35734
+ rxn:2:112174:163119,CC(CCCCn1cnc2c1c(=O)n(C)c(=O)n2C)Nc1ccc(N2CCC(C(C)(F)F)CC2)nc1,KPAJBIRUNPHUIE-UHFFFAOYSA-N
35735
+ rxn:2:113124:137446,O=S(=O)(F)c1ccc(C#CCNC2CCN(c3cc(N4CCCCCC4)ncn3)C2)cc1,BYZNIXVCVQWGIB-UHFFFAOYSA-N
35736
+ rxn:2:113238:107906,CC(C)c1cc(=O)[nH]c(C2(NC(c3ccccc3)C(F)N3CN(F)C=N3)CCCCC2)n1,LZDXQFWJLPEXDW-UHFFFAOYSA-N
35737
+ rxn:2:113632:147241,CC(Nc1cc(N2CCN(C)CC2)nc(C2CC2)n1)c1ccc(OC2CS(=O)(=O)CC2N(C)C)cc1,AQPIDBAEQFVPAK-UHFFFAOYSA-N
35738
+ rxn:2:114047:107703,COc1ccc(C(CS(C)(=O)=O)NCC2CCN(Cc3cc(C4CC4)n[nH]3)CC2)cc1,UTXKVDRKCIIUAT-UHFFFAOYSA-N
35739
+ rxn:2:114217:170893,Cc1ccc(C(C)Nc2c(S(C)(=O)=O)cnn2C(C)C(C)(C)C)cc1-c1ccc(N2CCCCC2)nc1,XHUPTGISQFQXOK-UHFFFAOYSA-N
35740
+ rxn:2:114442:155159,CS(=O)(=O)c1ccc(C(CC2=NCCO2)NC2CCCN(CCc3ccncc3)C2)cc1,VXFVSSUYEJEALB-UHFFFAOYSA-N
35741
+ rxn:2:114544:103860,CC1CCCCN1c1ccc(CNC2CC(C)(C)Cc3c2ccn3C2CC2(C)C)cn1,JFLIPUNWYIHQAP-UHFFFAOYSA-N
35742
+ rxn:2:114826:75187,CC(C)(C)CCCCC(Nc1c(C(C)(C)C)c(C2CCC2)nn1C1CC1)c1ccccc1,OXVNCNZMSKCADV-UHFFFAOYSA-N
35743
+ rxn:2:114983:78954,CCc1nn(C2CCN(C)CC2)cc1CNC(C#C[Si](C)(C)C)CCc1ccccc1,OKHRYFMSLUQHIJ-UHFFFAOYSA-N
35744
+ rxn:2:115324:91308,CCC(Nc1cnn(CC(C)(C)C)c1C1CC1)C1CCC(F)(F)CC1,MLOFVWIPKONZTI-UHFFFAOYSA-N
35745
+ rxn:2:115619:151596,CC(CCCCn1c(=O)c2ncn(C)c2n(C)c1=O)Nc1cn(CC2CC2(F)F)nc1C1CC1,FZBQTZGJIZIMFV-UHFFFAOYSA-N
35746
+ rxn:2:115807:108786,CC1CCN(c2ccc(C(C)Nc3cccnc3N3CCC(C(C)(F)F)CC3)cc2)CC1,CNRFVDCDVMUGJB-UHFFFAOYSA-N
35747
+ rxn:2:115807:154283,Cc1nc2nc(N3CCCC3)[nH]c(=O)c2cc1C(C)Nc1cccnc1N1CCC(C(C)(F)F)CC1,GIYGFINXFVHKED-UHFFFAOYSA-N
35748
+ rxn:2:115807:163119,CC(CCCCn1cnc2c1c(=O)n(C)c(=O)n2C)Nc1cccnc1N1CCC(C(C)(F)F)CC1,XTYJXIJJCZPSBP-UHFFFAOYSA-N
35749
+ rxn:2:115807:67001,CC(C)(C)C(CC1CCCCC1)Nc1cccnc1N1CCC(C(C)(F)F)CC1,YAXCTFLPUKNONY-UHFFFAOYSA-N
35750
+ rxn:2:116121:153335,CCN1CCN(c2cc(C)c(CNC(c3ccc(S(=O)(=O)CC)cc3)C3CCCC3)cn2)CC1,YASVRSLKYKQIOZ-UHFFFAOYSA-N
35751
+ rxn:2:116665:166005,CS(=O)(=O)c1cccc(N2CCC(NCCC#Cc3cnc(N4CCCC4)nc3)CC2)c1,XTUKYBWUPDQELZ-UHFFFAOYSA-N
35752
+ rxn:2:117237:78954,C[Si](C)(C)C#CC(CCc1ccccc1)NCCCc1nnc(C2CCS(=O)(=O)C2)o1,BRACKELHYCZSER-UHFFFAOYSA-N
35753
+ rxn:2:117373:78954,CCCC(CC)n1c(C)cc2c1CCCC2NC(C#C[Si](C)(C)C)CCc1ccccc1,GXNNMWSFXHCFLA-UHFFFAOYSA-N
35754
+ rxn:2:117417:141147,CC1CC(NC(C)c2cccn2C2C3CC4CC(C3)CC2C4)CC(C)(C)C1,JWWNSDXNNRLLAT-UHFFFAOYSA-N
35755
+ rxn:2:118023:151596,CC(CCCCn1c(=O)c2ncn(C)c2n(C)c1=O)NCc1nn(CC2CC2(F)F)c2c1C(C)CC2,PRBWWJBJCVMZHF-UHFFFAOYSA-N
35756
+ rxn:2:118150:107703,CCCN1CC2CCCC(C1)C2NC(CS(C)(=O)=O)c1ccc(OC)cc1,FPGFNMSTYNQNPK-UHFFFAOYSA-N
35757
+ rxn:2:118209:135681,CCCN1CCOc2ccc(C(CC)NCc3cc(N4CCS(=O)(=O)CC4)ccn3)cc21,GDHUCRSXCLKCBI-UHFFFAOYSA-N
35758
+ rxn:2:118348:151596,CC(CCCCn1c(=O)c2ncn(C)c2n(C)c1=O)Nc1cn(CC2CC2(F)F)nc1C1CCC1,UAXZYJJZJCJTHY-UHFFFAOYSA-N
35759
+ rxn:2:118348:154391,CC(CCCCn1c(=O)c2nc[nH]c2n(C)c1=O)Nc1cn(CC2CC2(F)F)nc1C1CCC1,ZAGODBIDZIKMEX-UHFFFAOYSA-N
35760
+ rxn:2:118551:107703,COc1ccc(C(CS(C)(=O)=O)Nc2ccc(N3CCN(C)CC(C)C3)c(OC)c2)cc1,SPCWWTQYGLHDQM-UHFFFAOYSA-N
35761
+ rxn:2:118714:107906,CS(=O)(=O)C1CCN(CCNC(c2ccccc2)C(F)N2CN(F)C=N2)CC1,CYOLNPVUOHCLML-UHFFFAOYSA-N
35762
+ rxn:2:119128:138095,CCC(C)CN(C)c1nc(C)c(C(C)Nc2cccnc2N2CC(OC)C(OC)C2)s1,SUDGAKWFENNSRZ-UHFFFAOYSA-N
35763
+ rxn:2:119128:94440,CCC(Nc1cccnc1N1CC(OC)C(OC)C1)c1ccc(N2CCN(C)CC2)nc1,KEUZGLHJTMIUCF-UHFFFAOYSA-N
35764
+ rxn:2:119659:78954,CCc1c(C2CCC2)nn(C2CCCCC2)c1NC(C#C[Si](C)(C)C)CCc1ccccc1,LYLNYGNXQQUEGY-UHFFFAOYSA-N
35765
+ rxn:2:119727:169089,CCCCCC(NCC(C)(C)C1CCC(C)(C)CC1)c1c(C)[nH]c2ccccc12,VYRBEEDZKLRSGB-UHFFFAOYSA-N
35766
+ rxn:2:120163:151416,CCN1CCN(c2cccc(NC3CCC(Cc4ccc(S(C)(=O)=O)cc4)CC3)n2)CC1,JMZAJCKIYQJEJZ-UHFFFAOYSA-N
35767
+ rxn:2:120163:158184,CCN1CCN(c2cccc(NC3CC4(CCS(=O)(=O)CC4)Oc4cc(C)ccc43)n2)CC1,JDVFOMXFWMWPHF-UHFFFAOYSA-N
35768
+ rxn:2:120307:107703,COc1ccc(C(CS(C)(=O)=O)NCCCN(C)C2CCN(C)CC2)cc1,PDEZNNQTURFDFW-UHFFFAOYSA-N
35769
+ rxn:2:121114:144460,CCC(Nc1cc(OC)c(C2CC(C)(C)C2)nn1)c1cccc(C2C(CSC(C)=O)C2(F)F)c1,ZFSPGANHBAFMLO-UHFFFAOYSA-N
35770
+ rxn:2:121307:155396,CC(=O)c1ccc(C2C(CSC(C)Nc3cn(CC4CCCC4)c(=O)[nH]c3=O)C2(F)F)nc1,CAASBHFRNTZMPW-UHFFFAOYSA-N
35771
+ rxn:2:121465:162580,CCC(NC(COC)c1ccc2c(c1)OCCO2)c1ccc(N2CCS(=O)(=O)CC2)nc1,RYDQPLHDKHZBHI-UHFFFAOYSA-N
35772
+ rxn:2:121533:107703,COc1ccc(C(CS(C)(=O)=O)NC2C3CN(C)CC2CN(Cc2ccccn2)C3)cc1,PXKHVQJARPXJFJ-UHFFFAOYSA-N
35773
+ rxn:2:121800:112657,CCS(=O)(=O)c1ccc(N(C)C)cc1NC1CCN(c2ccc(C3CCN(C)C3)nn2)C1,ALLRFMNAHFBTFG-UHFFFAOYSA-N
35774
+ rxn:2:121928:81137,CCS(=O)(=O)CCn1cc(C)c(NC(c2cccc(CN3CCSCC3)c2)C2CCC2)n1,KPVGAGQSHPSMNH-UHFFFAOYSA-N
35775
+ rxn:2:122188:137446,O=S(=O)(F)c1ccc(C#CCNC2CCN(c3ncc(C4CCOCC4)cn3)CC2)cc1,CRVKZRLZJKFRDS-UHFFFAOYSA-N
35776
+ rxn:2:122248:135681,CCCN1CCCOc2ccc(C(C)NCc3cc(N4CCS(=O)(=O)CC4)ccn3)cc21,NUGCBCYPWFFHQF-UHFFFAOYSA-N
35777
+ rxn:2:122288:169089,CCCCCC(NCC(C)(C)CC1CCCC(C)(C)C1)c1c(C)[nH]c2ccccc12,XEYPBKLXSKBWGO-UHFFFAOYSA-N
35778
+ rxn:2:122499:134221,CCC(Nc1cn(C)nc1S(=O)(=O)C(C)(C)C)c1cnc(N2CCN(C)CC2)cc1C,ZZDFPJQIGJIIJK-UHFFFAOYSA-N
35779
+ rxn:2:122646:140699,CCCC(CS(=O)(=O)F)Nc1ccc(OCCN2CCN(C)CC2)nc1,TZKLLNLRGNAVKA-UHFFFAOYSA-N
35780
+ rxn:2:122730:140242,CCc1n[nH]c2c1C(NCC1(N(C)C)CN(C)c3ccc(C(C)C)cc31)CC(C)(C)C2,JUBCTJBFZVXUPH-UHFFFAOYSA-N
35781
+ rxn:2:122755:107703,CCC(CC)CN1CCCC(NC(CS(C)(=O)=O)c2ccc(OC)cc2)C1,DSZSIJJDIGJEDH-UHFFFAOYSA-N
35782
+ rxn:2:122900:158184,Cc1ccc2c(c1)OC1(CCS(=O)(=O)CC1)CC2Nc1cnc(N2CCN(C)CC2)nc1,VURCHYNXIUYUBJ-UHFFFAOYSA-N
35783
+ rxn:2:123196:153537,Cc1ccc(C)c(C(Nc2n[nH]cc2N2CCC(CN(C)C)CC2)C(C)S(C)(=O)=O)c1,NOSOGGMERVODCF-UHFFFAOYSA-N
35784
+ rxn:2:123615:125295,CCN1CCN(c2ccc(NC3CC(CS(=O)(=O)F)C3)c(OC)c2)CC1,JOMQYAVCGHYSIS-UHFFFAOYSA-N
35785
+ rxn:2:123759:120015,CCCC(C#CN1CCN(C)CC1)Nc1cccnc1CS(=O)(=O)CCC,FDEQCOSSEXCJHZ-UHFFFAOYSA-N
35786
+ rxn:2:124416:103107,CCC(Nc1c(S(C)(=O)=O)cnn1CC1CC1)c1cnc(N2CCN(C)CC2)c(C)c1,QUJGOOZLGADJLX-UHFFFAOYSA-N
35787
+ rxn:2:124564:78954,CCc1c(C2CC2)nn(C2CCCCN2C)c1NC(C#C[Si](C)(C)C)CCc1ccccc1,FXHGDXZRRVNEQK-UHFFFAOYSA-N
35788
+ rxn:2:124564:80847,CCc1c(C2CC2)nn(C2CCCCN2C)c1NC(c1ccc(SC)cc1)C(C)(C)CC,KABXBBBVUBPEKD-UHFFFAOYSA-N
35789
+ rxn:2:124647:120035,CC1(C)CC(C)(C)CC2(CCCC2NC2CC3CCC(C2)N3c2ccccc2)C1,AAHMYCMZMUEQID-UHFFFAOYSA-N
35790
+ rxn:2:124976:110753,CCC(NCc1ccc(N2CCS(=O)(=O)CC2)nn1)C1CCN(c2ccc3c(c2)OCO3)C1,PVRZPYATYZPVTM-UHFFFAOYSA-N
35791
+ rxn:2:125257:162580,CCC(NC(CC)c1cnc(N2CCCCC2)c(C)c1)c1ccc(N2CCS(=O)(=O)CC2)nc1,AMFKXSRQQTVRCP-UHFFFAOYSA-N
35792
+ rxn:2:125376:142512,CC1(S(C)(=O)=O)CCC(NC2COc3cc(-c4ccnn4C4CCCC4)ccc32)CC1,VLQYEUVPLKSZPE-UHFFFAOYSA-N
35793
+ rxn:2:125376:158619,CC1(S(C)(=O)=O)CCC(NC2CCOc3ccc(-c4cnn(CC5CC5)c4)cc32)CC1,WRFKCJVASHJHCK-UHFFFAOYSA-N
35794
+ rxn:2:125376:91574,CCCCC(NC1CCC(C)(S(C)(=O)=O)CC1)c1ccc2c(c1)OCO2,HXKGILYAAVSGLR-UHFFFAOYSA-N
35795
+ rxn:2:125736:114712,CCS(=O)(=O)c1cnc(NC(c2ccc(CN3CCN(C)CC3)cc2)C2CC2)c(OC)c1,DNGGOPRKVLARKE-UHFFFAOYSA-N
35796
+ rxn:2:126188:169089,CCCCCC(NCC1(C)CC(OC)CC(C)(C)C1)c1c(C)[nH]c2ccccc12,PIMZFKJFTVBWOG-UHFFFAOYSA-N
35797
+ rxn:2:127012:78954,CCCCC1CCC(c2cc(NC(C#C[Si](C)(C)C)CCc3ccccc3)ncn2)CC1,AOBCOEDIRXFBTN-UHFFFAOYSA-N
35798
+ rxn:2:127132:144179,CC(NCC1CCC(S(C)(=O)=O)CC1)c1ccc(-c2ccc(C3CC3)nc2)c2c1OCO2,JDOGDEYOSCQZRF-UHFFFAOYSA-N
35799
+ rxn:2:127132:152826,CC(NCC1CCC(S(C)(=O)=O)CC1)c1cc(-c2ccnc(N3CCOCC3)c2)cs1,MLBZYBCKTWSKCL-UHFFFAOYSA-N
35800
+ rxn:2:128288:78954,C[Si](C)(C)C#CC(CCc1ccccc1)NC1CC(N2CCCCC2)C1,AIYOWFIJLPSJBX-UHFFFAOYSA-N
35801
+ rxn:2:128540:78954,CCC(CNC(C#C[Si](C)(C)C)CCc1ccccc1)c1ncc(C2CCN(C)C2)[nH]1,XUFCAFNHKLABEG-UHFFFAOYSA-N
35802
+ rxn:2:128556:166019,CC(=O)c1cccc(C2C(CSC(C)Nc3c(N4CCCCC4)c(=O)[nH]c(=O)n3C)C2(F)F)c1,DXCPBAOOXSASSZ-UHFFFAOYSA-N
35803
+ rxn:2:128727:119652,CN1CCC(c2nc(C3CCC(Nc4ccc(C5(S(C)(=O)=O)CC5)nc4)CC3)cs2)C1,JYEUTPDSTHVDRB-UHFFFAOYSA-N
35804
+ rxn:2:128727:80298,Cc1c2c(nn1COCC[Si](C)(C)C)C(Nc1ccc(C3(S(C)(=O)=O)CC3)nc1)CC2,MKHHUDWLQSGMSG-UHFFFAOYSA-N
35805
+ rxn:2:128736:158184,Cc1ccc2c(c1)OC1(CCS(=O)(=O)CC1)CC2Nc1cccnc1N1CCCN(C)CC1,HUTKZFQRDPFZIV-UHFFFAOYSA-N
35806
+ rxn:2:128736:166079,CC(Nc1cccnc1N1CCCN(C)CC1)c1ccccc1OC1CS(=O)(=O)CC1N(C)C,LGPMGYBXJNYDGT-UHFFFAOYSA-N
35807
+ rxn:2:128748:107703,CCCOc1cc(N2CCN(C)CC2)ccc1NC(CS(C)(=O)=O)c1ccc(OC)cc1,AHCIVAHDRYJPLM-UHFFFAOYSA-N
35808
+ rxn:2:129508:107703,COc1ccc(C(CS(C)(=O)=O)NCc2nc(C(C)C)ncc2N2CCN(C)CC2)cc1,INLFMIKFYBJVOA-UHFFFAOYSA-N
35809
+ rxn:2:129631:148179,CC(NC1(CCS(C)(=O)=O)CCCC1)c1ccc(-c2cncc(N3CCOCC3)n2)s1,IARPQKWAUZSFDS-UHFFFAOYSA-N
35810
+ rxn:2:129706:161891,Cc1ccc(C)c(C(C#CN2CCN(C)CC2)Nc2[nH]nc(C3CCCC3)c2S(C)(=O)=O)c1,PGTOHKVRGFQJFP-UHFFFAOYSA-N
35811
+ rxn:2:130462:78117,CCCC1CCC(c2ccc(C(C)Nc3nc(C)ncc3S(=O)(=O)C(C)(C)C)cc2)CC1,YZDVXQZSNAASSB-UHFFFAOYSA-N
35812
+ rxn:2:130979:153335,CCS(=O)(=O)c1ccc(C(Nc2c(C)c(C3CC3)nn2CCN(C)C)C2CCCC2)cc1,MIBHNJZOVKJZBT-UHFFFAOYSA-N
35813
+ rxn:2:131073:90528,CCC(Nc1ccc(N2CCC(F)(F)C2)cc1OC)c1cnc(N2CCOCC2)cc1C,UZUYYQQOGGSPOW-UHFFFAOYSA-N
35814
+ rxn:2:131868:147241,CC(Nc1ccc(N2CCOCC2)nn1)c1ccc(OC2CS(=O)(=O)CC2N(C)C)cc1,CHSGRELIQKSARJ-UHFFFAOYSA-N
35815
+ rxn:2:132077:153335,CCN1CCN(c2ccc(NC(c3ccc(S(=O)(=O)CC)cc3)C3CCCC3)cc2C)CC1,BKMLGJTYGGGMGQ-UHFFFAOYSA-N
35816
+ rxn:2:132152:90147,CCc1nn(C2CCN(C)CC2)c(NC(c2ccc(S(=O)(=O)F)cc2)C2CC2)c1C1CC1,ANWJVZBAHQLRHZ-UHFFFAOYSA-N
35817
+ rxn:2:132258:131168,Cc1cccc(C(Nc2[nH]ncc2SC23CC4CC(CC(C4)C2)C3)C(C)S(C)(=O)=O)c1,IUODXQXHNIZGEN-UHFFFAOYSA-N
35818
+ rxn:2:132258:133419,Cc1cccc(C(NC(c2n[nH]c(=O)[nH]2)C2C3CC4CC(C3)CC2C4)C(C)S(C)(=O)=O)c1,AEXDOYHTJDYLES-UHFFFAOYSA-N
35819
+ rxn:2:133922:142425,COc1ccc2c(c1)OC1(CCS(=O)(=O)CC1)CC2NCCCc1ccccc1S(=O)(=O)F,BXDTVYKWJYHMKO-UHFFFAOYSA-N
35820
+ rxn:2:133922:159916,COc1ccc(C(NCCCc2ccccc2S(=O)(=O)F)C23CN4CN(CN(C4)C2)C3)cc1,LAVMZUGJBBYWSN-UHFFFAOYSA-N
35821
+ rxn:2:134766:106485,COc1ccc(OC)c(C(CC2=NCCO2)NCc2cccc(N3CCS(=O)(=O)CC3)c2)c1,AMLZNIABTMTTBN-UHFFFAOYSA-N
35822
+ rxn:2:134766:112995,Cc1nc(N2CCCC2)ncc1C(CCN(C)C)NCc1cccc(N2CCS(=O)(=O)CC2)c1,FMZIRTZTFBVQJT-UHFFFAOYSA-N
35823
+ rxn:2:134766:122248,CCCN1CCCOc2ccc(C(C)NCc3cccc(N4CCS(=O)(=O)CC4)c3)cc21,AUPBUOSXUBOBRK-UHFFFAOYSA-N
35824
+ rxn:2:135565:163743,CS(=O)(=O)c1cccc(C(NCCC2CCN(c3ncc(C4CCC4)cn3)C2)C2CCC2)c1,VUWDDCPEYJLQQP-UHFFFAOYSA-N
35825
+ rxn:2:135565:166005,CS(=O)(=O)c1cccc(N2CCC(NCCC3CCN(c4ncc(C5CCC5)cn4)C3)CC2)c1,PNMPEGCFWZQHEM-UHFFFAOYSA-N
35826
+ rxn:2:135681:117068,CCCC(NCc1cc(N2CCS(=O)(=O)CC2)ccn1)c1cc(C)cc2c1OCCCC2,OTKUFTOUOUUXKY-UHFFFAOYSA-N
35827
+ rxn:2:135681:134221,CCC(NCc1cc(N2CCS(=O)(=O)CC2)ccn1)c1cnc(N2CCN(C)CC2)cc1C,HVWGUTCWHLPFNY-UHFFFAOYSA-N
35828
+ rxn:2:135778:154391,CC(CCCCn1c(=O)c2nc[nH]c2n(C)c1=O)NCc1nn(CC2CC2(F)F)c2c1C1CC1C2,PUOZIEIUYWIAQF-UHFFFAOYSA-N
35829
+ rxn:2:136267:107703,COc1ccc(C(CS(C)(=O)=O)NCCCC2CCCCC2(F)F)cc1,IQHILYGFILSMEA-UHFFFAOYSA-N
35830
+ rxn:2:136330:138095,CCC(C)CN(C)c1nc(C)c(C(C)Nc2ccc(N3CC(OC)C(OC)C3)nc2)s1,YEICOCXMXYNCJD-UHFFFAOYSA-N
35831
+ rxn:2:136330:162580,CCC(Nc1ccc(N2CC(OC)C(OC)C2)nc1)c1ccc(N2CCS(=O)(=O)CC2)nc1,ORIKQXVKKJPYBH-UHFFFAOYSA-N
35832
+ rxn:2:136368:79791,CSc1ccc(C(CS(C)(=O)=O)NC2CCN(c3cc(C4CCCC4)ncn3)CC2)cc1,KJWYKLITEHKVQL-UHFFFAOYSA-N
35833
+ rxn:2:136447:78954,C[Si](C)(C)C#CC(CCc1ccccc1)NCc1cc(C2CCOCC2)nc(C2CC2)n1,ZDAICAAXWLEOQI-UHFFFAOYSA-N
35834
+ rxn:2:136635:119754,CCC1C(F)(F)C12CCC(NC1COc3c1cccc3S(C)(=O)=O)CC2,WSSFYVAFCZFFTL-UHFFFAOYSA-N
35835
+ rxn:2:136635:66270,Cc1ccc(C2(C3CCC(NC4COc5c4cccc5S(C)(=O)=O)CC3)COC2)c(C)c1,XAIIAMVJVCLECE-UHFFFAOYSA-N
35836
+ rxn:2:136635:78354,CN1CCN(c2cc(N3CCC(NC4COc5c4cccc5S(C)(=O)=O)C3)ncn2)CC1,NAWYHFMYDRMXDO-UHFFFAOYSA-N
35837
+ rxn:2:136758:71152,CCOC1CCN(CC(Nc2ccc(C#C[Si](C)(C)C)nc2OC)c2ccccc2)CC1,QYDYXWXBDFQCDQ-UHFFFAOYSA-N
35838
+ rxn:2:137165:118123,CCS(=O)(=O)Cc1cnc(NC(c2ccc(CN3CCSCC3)cc2)C2CCCC2)s1,OMHRAUWPLQIDKO-UHFFFAOYSA-N
35839
+ rxn:2:138196:147241,CC(Nc1ccc(N2CCN(C)CC2)cn1)c1ccc(OC2CS(=O)(=O)CC2N(C)C)cc1,BJWNKASTAJQSBT-UHFFFAOYSA-N
35840
+ rxn:2:139423:82688,CCc1cc(C(CC2=NCCO2)Nc2cnn(C3CCS(=O)(=O)CC3)c2CC)ccc1OC,VYQAURSXLIMNGN-UHFFFAOYSA-N
35841
+ rxn:2:139616:107703,COc1ccc(C(CS(C)(=O)=O)NCCN2CCC(N(C)C)CC2)cc1,URMOEXGAYNWDPN-UHFFFAOYSA-N
35842
+ rxn:2:139988:155159,CS(=O)(=O)c1ccc(C(CC2=NCCO2)NC(c2cccc(S(C)(=O)=O)c2)C2CC2)cc1,ZGDPIFYGXLEECP-UHFFFAOYSA-N
35843
+ rxn:2:140210:166079,CC(Nc1ccncc1N1CCCCCC1)c1ccccc1OC1CS(=O)(=O)CC1N(C)C,UGZRRGDUPRTFIV-UHFFFAOYSA-N
35844
+ rxn:2:140322:162580,CCC(Nc1ccc(N2CCN(CC)CC2)nc1C)c1ccc(N2CCS(=O)(=O)CC2)nc1,FEZDBSOKEMNMGY-UHFFFAOYSA-N
35845
+ rxn:2:140411:154391,COC(CNC(C)CCCCn1c(=O)c2nc[nH]c2n(C)c1=O)C1CCC(F)(F)CC1,SKFHCYIZOGZKTO-UHFFFAOYSA-N
35846
+ rxn:2:140418:153335,CCS(=O)(=O)c1ccc(C(Nc2c(C3CC3)c(C)nn2CCN(C)C)C2CCCC2)cc1,YADSGNNRLSMHLM-UHFFFAOYSA-N
35847
+ rxn:2:141335:107703,COc1ccc(C(CS(C)(=O)=O)NCCN(C2CC2)[C@H]2CCN(C)C2)cc1,HFZRXVZNBFVZCE-LROBGIAVSA-N
35848
+ rxn:2:141890:130197,CCC(Nc1cnc(N2CCS(=O)(=O)CC2)c(C)c1)c1ccc(N2CCN(C)CC2)nc1C,DKRQEAGTVKFMOX-UHFFFAOYSA-N
35849
+ rxn:2:142164:130571,COc1ccc(OC)c2c1C(Nc1nn(C3CCS(=O)(=O)CC3)cc1C)C(C)(C)CN2C,LTERODRRNOIEKA-UHFFFAOYSA-N
35850
+ rxn:2:142764:136378,CCCc1nn(-c2ccncc2C2CC2)cc1NC1CCN(CCOS(C)(=O)=O)CC1,FYXCAXNNZHPIRO-UHFFFAOYSA-N
35851
+ rxn:2:144789:135500,CC(C)CSC(=N)C(F)(F)c1cccc(C(C)Nc2ncnc3c2[nH]c(=O)n3C2CCCCC2)c1,YUEWWDOLNAFXON-UHFFFAOYSA-N
35852
+ rxn:2:147289:142689,CCC(CC)c1cc2[nH]c(C(C)NC(C#CN(C)C)c3cc4c(cc3C)OCCO4)cc(=O)n2n1,UEDBYATVIIAAKN-UHFFFAOYSA-N
35853
+ rxn:2:147729:158361,Cc1ccc(C(C)C)c2c1C(NCCc1c(-c3ccc(N(C)C)cc3)[nH][nH]c1=O)C(CN(C)C)CCO2,ZHQOUJMWSVZYQB-UHFFFAOYSA-N
35854
+ rxn:2:151901:120015,CCCC(C#CN1CCN(C)CC1)Nc1ccc2cnn(CCS(C)(=O)=O)c2c1,CGEBOUZIGPBYAL-UHFFFAOYSA-N
35855
+ rxn:2:163105:83879,CCS(=O)(=O)c1cc(NC(c2ccc(SC)cc2)C(C)(C)N2CCOCC2)cn(C2CC2)c1=O,AOAILSSLTDAPIT-UHFFFAOYSA-N
35856
+ rxn:2:168240:109142,CCN(CC)c1cc2[nH]c(=O)[nH]c2cc1NC(CN(C)C)c1cc(C(C)C)cc2c1OCCCC2,NHHMZOZLLBQGBE-UHFFFAOYSA-N
35857
+ rxn:2:65944:141967,CC1(C)C(C[Si](C)(C)C)CC1NCc1ccc2c3c1CCCN3CCC2,GYJAARRFZQCSKT-UHFFFAOYSA-N
35858
+ rxn:2:66021:144179,CC(NCC1(CS(C)(=O)=O)CCCC1)c1ccc(-c2ccc(C3CC3)nc2)c2c1OCO2,WDUPNALCELBREO-UHFFFAOYSA-N
35859
+ rxn:2:66244:99693,CC(NCC1(N(C)C)CCC(C(C)(C)C)CC1)c1ccn(C2CC2)n1,YGGIWDAUZSPSOH-UHFFFAOYSA-N
35860
+ rxn:2:66420:148780,CC(Nc1c(S(C)(=O)=O)cnn1C1CCCCC1)c1ncc(-c2ccccc2CN2CCOCC2)cn1,NAEACMRWQDHWQX-UHFFFAOYSA-N
35861
+ rxn:2:66427:151596,CC(CCCCn1c(=O)c2ncn(C)c2n(C)c1=O)Nc1c(C2CCC2)cnn1CC1CC1(F)F,MAEQBKZAUKIJAG-UHFFFAOYSA-N
35862
+ rxn:2:67410:126600,Cc1ccc(C(C)Nc2cccc(N3CCN(C)CC3)c2OC(C)C)c(OS(=O)(=O)F)c1,GIJBIKKSOUUYLI-UHFFFAOYSA-N
35863
+ rxn:2:68541:155159,CN1CCN(c2ncccc2CNC(CC2=NCCO2)c2ccc(S(C)(=O)=O)cc2)CC1,ZAKACRHQDRPCJA-UHFFFAOYSA-N
35864
+ rxn:2:68833:76803,CCS(=O)(=O)CCCC(Nc1ccc(N2CC(OC)C2)nc1)C(C)(C)C,CRDAKBWLZHNPLS-UHFFFAOYSA-N
35865
+ rxn:2:69141:118123,CCS(=O)(=O)c1cnc(NC(c2ccc(CN3CCSCC3)cc2)C2CCCC2)c(C)c1,GFGDFLBCELCHLE-UHFFFAOYSA-N
35866
+ rxn:2:69296:169089,CCCCCC(Nc1c(C2CC2)c(C(C)(C)C)nn1CC(C)(C)C)c1c(C)[nH]c2ccccc12,IQLGJYRPKDGXRP-UHFFFAOYSA-N
35867
+ rxn:2:69766:107703,COc1ccc(C(CS(C)(=O)=O)NCCC2CN(Cc3cccnc3)C(C)CN2C)cc1,XJPVDETXNZKECU-UHFFFAOYSA-N
35868
+ rxn:2:69816:107703,CCCC1CCN(CCNC(CS(C)(=O)=O)c2ccc(OC)cc2)CC1,UYLRXLFGSLCHMP-UHFFFAOYSA-N
35869
+ rxn:2:70113:109459,CCC(CC1CCCC1)NCC(C)(C)CC1CCCC1,CBHINBQKNBGGLO-UHFFFAOYSA-N
35870
+ rxn:2:70135:162583,Cc1nnc(C2CCC(NC(c3ccc(-c4cnn(S(C)(=O)=O)c4)cc3)C3CC3)CC2)n1C1CCCC1,MFRADFWHLOGWIU-UHFFFAOYSA-N
35871
+ rxn:2:70230:167512,COCC1CC(F)(F)CN1c1ncccc1NC(C)c1cn(N2CCN(C)CC2)c(=O)[nH]c1=O,VBIMVVDNRAPPIR-UHFFFAOYSA-N
35872
+ rxn:2:70251:149518,CC(NCCCN1CCC(N(C)C)CC1)c1ccc(N2CCS(=O)(=O)CC2)cc1,WWIYLHBWTLPWDZ-UHFFFAOYSA-N
35873
+ rxn:2:70295:86446,CCC(NC1CC2(c3ccccc3)CCC1(C)C2(C)C)c1ccc(N2CCCC(C)C2)cc1,BXDQONHLTFEOQT-UHFFFAOYSA-N
35874
+ rxn:2:70623:103107,CCC(NCC(C)(C)S(=O)(=O)c1cnn(C)c1)c1cnc(N2CCN(C)CC2)c(C)c1,IMPGKHIFHXCYDV-UHFFFAOYSA-N
35875
+ rxn:2:70683:103107,CCC(Nc1ccc(OS(=O)(=O)F)cc1COC)c1cnc(N2CCN(C)CC2)c(C)c1,MNTAECJHIYTRQD-UHFFFAOYSA-N
35876
+ rxn:2:70683:106970,COCc1cc(OS(=O)(=O)F)ccc1NC1CCN(c2cc(N3CCCC3)ncn2)CC1,DQRBVVMPHYWWIK-UHFFFAOYSA-N
35877
+ rxn:2:70683:134221,CCC(Nc1ccc(OS(=O)(=O)F)cc1COC)c1cnc(N2CCN(C)CC2)cc1C,FTTQCRFSDDQPLQ-UHFFFAOYSA-N
35878
+ rxn:2:70685:93198,O=S(=O)(F)C1CC(Nc2nnn(CC3C4CC5CC(C4)CC3C5)n2)C1,SEAZFKDJCBDUNS-UHFFFAOYSA-N
35879
+ rxn:2:71491:168741,CC(=O)c1ccc(C)c(C2C(CSC(C)Nc3nc(N4CCN(C)CC4)cc(=O)[nH]3)C2(F)F)c1,NAVFIEZJMDYPRZ-UHFFFAOYSA-N
35880
+ rxn:2:72289:154391,CC(CCCCn1c(=O)c2nc[nH]c2n(C)c1=O)N[C@H](C)C1CCC(F)(F)CC1,KVIXQDWYTUFTLV-ARLHGKGLSA-N
35881
+ rxn:2:72853:70683,COCc1cc(OS(=O)(=O)F)ccc1NC1CCN(c2cc(CC(C)(C)C)ncn2)CC1,RUDDNAHBGXGMLU-UHFFFAOYSA-N
35882
+ rxn:2:73692:106726,CCc1nc(NC2CCc3cc(N4CCC(F)(F)CC4)ccc32)ccc1C#C[Si](C)(C)C,OZBQEOPCAVGBHH-UHFFFAOYSA-N
35883
+ rxn:2:73911:136664,CCOc1ccc(C(CS(C)(=O)=O)NCCC2CCC(F)(F)CC2)cc1,PNRNPTFJOOHZRI-UHFFFAOYSA-N
35884
+ rxn:2:74153:153335,CCS(=O)(=O)c1ccc(C(Nc2cccnc2N2CCC(N(C)C)CC2)C2CCCC2)cc1,FSZASKYQKKRQCC-UHFFFAOYSA-N
35885
+ rxn:2:74461:110753,CCC(NCc1ccc(CN2CCS(=O)(=O)CC2)o1)C1CCN(c2ccc3c(c2)OCO3)C1,HJFROYVXGOKOAD-UHFFFAOYSA-N
35886
+ rxn:2:74801:151289,CC(C)(C)[Si](C)(C)OC1CC(NC2CCc3cc(-c4ccc5c(c4)OCO5)ccc3C2)C1,FHYXTHFWTJTSGE-UHFFFAOYSA-N
35887
+ rxn:2:74925:141967,CC1(C)C(C[Si](C)(C)C)CC1NCC(C1CCCC1)N1CCc2ccccc21,PJMCGRHJBFOTLW-UHFFFAOYSA-N
35888
+ rxn:2:75075:156851,CCc1nc2cc(C(CNCC(OC)C3CCC(F)(F)CC3)N(C)C)ccc2n1C,QTIIPAFIVGWWPD-UHFFFAOYSA-N
35889
+ rxn:2:75105:154391,CC(CCCCn1c(=O)c2nc[nH]c2n(C)c1=O)NCC(F)(F)CN1CCN(C)CC1,YQUDWTSMYNNDPQ-UHFFFAOYSA-N
35890
+ rxn:2:75817:78954,C[Si](C)(C)C#CC(CCc1ccccc1)NCCC1(n2cncn2)CCS(=O)(=O)CC1,BFADUTZDJSJMGU-UHFFFAOYSA-N
35891
+ rxn:2:75831:102337,CC1(C)C(NCc2nccc(N3CCS(=O)(=O)CC3)n2)CCN1c1ccc2c(c1)OCCO2,ZKCMMCGMLASSPN-UHFFFAOYSA-N
35892
+ rxn:2:76014:144703,CC(C)(C)[Si](C)(C)OCC1CC(NCC2C(c3cnc4cn[nH]c4c3)C2(F)F)C1,HRKNITBAEOPVKT-UHFFFAOYSA-N
35893
+ rxn:2:76069:107703,CCN(CCNC(CS(C)(=O)=O)c1ccc(OC)cc1)C1CCSCC1,PXNUDHHRVLYOSA-UHFFFAOYSA-N
35894
+ rxn:2:76229:122030,CC(C)C(NCC1CCC[Si](C)(C)CC1)c1ccn(CC2CCC2)n1,AQGNNVSOPSYZEO-UHFFFAOYSA-N
35895
+ rxn:2:76290:153537,Cc1ccc(C)c(C(NC2CCCC2c2noc(C3CCCC3)n2)C(C)S(C)(=O)=O)c1,WHCWLUCZKLDVKH-UHFFFAOYSA-N
35896
+ rxn:2:76335:90147,CC(C1CC1)n1ncc(C2CCCCC2)c1NC(c1ccc(S(=O)(=O)F)cc1)C1CC1,OWJYTXZUJPANMD-UHFFFAOYSA-N
35897
+ rxn:2:77252:73911,CCOc1ccc(C(CS(C)(=O)=O)NCc2nc(C3(S(C)(=O)=O)CCCC3)no2)cc1,OKIXYEHQUNSETH-UHFFFAOYSA-N
35898
+ rxn:2:77389:78954,CC(C)(C)C1CCC(n2cc(CNC(C#C[Si](C)(C)C)CCc3ccccc3)nn2)CC1,PUGTYXHFKLOSCJ-UHFFFAOYSA-N
35899
+ rxn:2:77777:106165,C[C@@H](NC1CC2CCCC(C1)N2c1ccccc1)C1CCC(C)(C)CC1,KOABRNYUCWDDGP-PYENRMDFSA-N
35900
+ rxn:2:78163:107703,COc1ccc(C(CS(C)(=O)=O)NCCC#CCN2CCN(C)CC2)cc1,XKJORFHZPMTXCX-UHFFFAOYSA-N
35901
+ rxn:2:78373:163379,CCS(=O)(=O)c1cncc(NC2c3cc(C)ccc3OCCC2CN2CCN(C)CC2)c1,YFWGHCYYSGJVQL-UHFFFAOYSA-N
35902
+ rxn:2:78551:103551,CCC(NCCc1c(C2CC2)n[nH]c1C1CC1)c1cccc(O[Si](C)(C)C(C)(C)C)c1,YXJIWRGUWQJIOZ-UHFFFAOYSA-N
35903
+ rxn:2:79225:127780,CCC(Nc1cc(=O)[nH]c(=O)n1CCCN(C)C)c1ccc(N2CCC(F)(F)CC2)cc1,ITZOWFPBRUNWEW-UHFFFAOYSA-N
35904
+ rxn:2:79331:144920,CC(C)Oc1cccc(-c2cn[nH]c(=O)c2C(C)NCC2(CCN(C)C)CC(F)(F)C2)c1,LGBGLLYXLWFVBA-UHFFFAOYSA-N
35905
+ rxn:2:80083:107304,CSc1nnc(C2CC(NCC3(N(C)C)CCC(F)(F)CC3)C2)n1C,RPLUPQCHBRYTTO-UHFFFAOYSA-N
35906
+ rxn:2:80139:137294,CCC(Nc1[nH]nc(N2CCOCC2)c1S(C)(=O)=O)c1ccc(N2CCC(F)CC2)cc1,JJVVUBHBQDPFGA-UHFFFAOYSA-N
35907
+ rxn:2:80548:123413,CCC(C)(C)c1cc(N2CCC(NCCC#Cc3ccc(S(=O)(=O)F)cc3)CC2)ncn1,BJEOJYJHXYDYFD-UHFFFAOYSA-N
35908
+ rxn:2:80587:107703,CCC1CCN(CCCNC(CS(C)(=O)=O)c2ccc(OC)cc2)CC1,XNWAMOAPLKCOTJ-UHFFFAOYSA-N
35909
+ rxn:2:81015:106138,CCC(NCCC1(CS(C)(=O)=O)CC1)c1ccc(N2CC[C@H](F)C2)cc1,TXHRDIHURANCJM-KKFHFHRHSA-N
35910
+ rxn:2:81395:106485,COc1ccc(OC)c(C(CC2=NCCO2)NCC2(C)CS(=O)(=O)C2)c1,ANTUIXMCIQUFFK-UHFFFAOYSA-N
35911
+ rxn:2:81696:144484,CC(C)(C)[Si](C)(C)OC1CCC(NCC2C(c3cnc4[nH]ncc4c3)C2(F)F)CC1,CWCNMOYAQPKLPV-UHFFFAOYSA-N
35912
+ rxn:2:81696:144561,CC(C)(C)[Si](C)(C)OC1CCC(NCC2C(c3n[nH]c4ncccc34)C2(F)F)CC1,WGOLKXZOMRYXTD-UHFFFAOYSA-N
35913
+ rxn:2:81696:144703,CC(C)(C)[Si](C)(C)OC1CCC(NCC2C(c3cnc4cn[nH]c4c3)C2(F)F)CC1,BKFZSAMDIOCVOA-UHFFFAOYSA-N
35914
+ rxn:2:81696:154999,CC(C)(C)[Si](C)(C)OC1CCC(NCC2C(c3cnc4cc[nH]c4c3)C2(F)F)CC1,PGRLEXQNBXGFBF-UHFFFAOYSA-N
35915
+ rxn:2:82231:153335,CCS(=O)(=O)c1ccc(C(Nc2c(C3CCCC3)cccc2C2CCCC2)C2CCCC2)cc1,WDTGOJVZJSBOLT-UHFFFAOYSA-N
35916
+ rxn:2:82378:82250,CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)F)C(Nc1nc(COC3CCC3)cs1)C2,LDLXIWZACHXXOH-QKOBRPKFSA-N
35917
+ rxn:2:82579:125295,CCOc1cc(N2CCN(C)CC2)ccc1NC1CC(CS(=O)(=O)F)C1,BRWKEENGUNSKNQ-UHFFFAOYSA-N
35918
+ rxn:2:82615:112995,Cc1nc(N2CCCC2)ncc1C(CCN(C)C)Nc1ccc(N2CCS(=O)(=O)CC2)cc1,SEBLRUHENXQVHJ-UHFFFAOYSA-N
35919
+ rxn:2:82615:158083,COc1cc(C(CC2=NCCO2)Nc2ccc(N3CCS(=O)(=O)CC3)cc2)c(OC)cc1C,AOIFRBMMLVSWTH-UHFFFAOYSA-N
35920
+ rxn:2:82615:80298,Cc1c2c(nn1COCC[Si](C)(C)C)C(Nc1ccc(N3CCS(=O)(=O)CC3)cc1)CC2,HZGYRHWXQGHZQG-UHFFFAOYSA-N
35921
+ rxn:2:82688:120322,CCc1cc(C(CC2=NCCO2)NCC2(CS(=O)(=O)F)CC2)ccc1OC,HBHRTLFAOBGCFD-UHFFFAOYSA-N
35922
+ rxn:2:82688:84217,CCc1cc(C(CC2=NCCO2)NCC(C)(C)CS(=O)(=O)F)ccc1OC,JGEBMZNJMJPTJM-UHFFFAOYSA-N
35923
+ rxn:2:84015:95370,CC1(C)C2CC[C@]1(CS(=O)(=O)[O-])C(NCCCc1ccc(S(=O)(=O)F)cc1)C2,LQPHQEVLJJQTME-KVWWFHCMSA-M
35924
+ rxn:2:84251:155159,CS(=O)(=O)c1ccc(C(CC2=NCCO2)NC2(c3ncc[nH]3)CCC(F)(F)CC2)cc1,YSQJSLZOAHXTSH-UHFFFAOYSA-N
35925
+ rxn:2:85378:135500,CC(C)CSC(=N)C(F)(F)c1cccc(C(C)Nc2cc(=O)[nH]c(=O)n2C2CCCCC2C)c1,IEPGBXJFROAXON-UHFFFAOYSA-N
35926
+ rxn:2:85884:126033,CC(C)N1CCCc2ccc(C(NCCCC[Si](C)(C)C)C3CC3)cc21,WQVZBFDTZVFQAC-UHFFFAOYSA-N
35927
+ rxn:2:86034:117155,Cc1nnc(C(NC(c2ccccc2)C(C)S(C)(=O)=O)C2C3CC4CC(C3)CC2C4)[nH]1,KQLCVWYKCBTUDL-UHFFFAOYSA-N
35928
+ rxn:2:86337:147241,CC(Nc1nccnc1N1CCN(C)CC1)c1ccc(OC2CS(=O)(=O)CC2N(C)C)cc1,NMLLHBWMALXVGU-UHFFFAOYSA-N
35929
+ rxn:2:86363:78954,CC(C)(C)c1cc(CN2CCC(NC(C#C[Si](C)(C)C)CCc3ccccc3)C2)[nH]n1,YOZRYUKWLFBBBW-UHFFFAOYSA-N
35930
+ rxn:2:86703:129974,CC(NCc1ccc(CS(=O)(=O)F)cc1)c1nc(N2CCOCC2)nc(N2CCOCC2)n1,DLOJJDGTJIQNJN-UHFFFAOYSA-N
35931
+ rxn:2:86840:70685,CCCN1CCN(c2ccc(NC3CC(S(=O)(=O)F)C3)cc2OC)CC1,ZDLRZWIBDOCZLI-UHFFFAOYSA-N
35932
+ rxn:2:87110:139138,CC1(C)C2CCC1(CS(=O)(=O)[O-])C(Nc1cc(S(C)(=O)=O)ccc1OCC1CC1)C2,CIXDZNIWIBDYNP-UHFFFAOYSA-M
35933
+ rxn:2:87110:155159,CS(=O)(=O)c1ccc(C(CC2=NCCO2)Nc2cc(S(C)(=O)=O)ccc2OCC2CC2)cc1,ZVCFRKQOAGNSPT-UHFFFAOYSA-N
35934
+ rxn:2:87110:168624,CS(=O)(=O)CC(Nc1cc(S(C)(=O)=O)ccc1OCC1CC1)c1ccc(S(C)(=O)=O)cc1,YOCGEYCXTWMIML-UHFFFAOYSA-N
35935
+ rxn:2:87110:84015,CC1(C)C2CC[C@]1(CS(=O)(=O)[O-])C(Nc1cc(S(C)(=O)=O)ccc1OCC1CC1)C2,CIXDZNIWIBDYNP-ZJKHUDDUSA-M
35936
+ rxn:2:87219:147241,CC(Nc1cnc(N2CCOCC2)nc1)c1ccc(OC2CS(=O)(=O)CC2N(C)C)cc1,QIMWDNBTZICIAD-UHFFFAOYSA-N
35937
+ rxn:2:88336:107703,COc1ccc(C(CS(C)(=O)=O)Nc2ccc3c(n2)N(C2CCN(C)CC2)CCO3)cc1,NRCSNLLNRCHXSP-UHFFFAOYSA-N
35938
+ rxn:2:88336:98739,CN1CCC(N2CCOc3ccc(NC(CCN4CCS(=O)(=O)CC4)C(C)(C)C)nc32)CC1,NFYOONZAOAEZHV-UHFFFAOYSA-N
35939
+ rxn:2:88502:155159,CS(=O)(=O)c1ccc(C(CC2=NCCO2)Nc2ccc(N3CCC(F)(F)CC3)nc2)cc1,ZHBKHKVDADHIHY-UHFFFAOYSA-N
35940
+ rxn:2:89375:78954,CCOCc1cn(C2CCC(NC(C#C[Si](C)(C)C)CCc3ccccc3)CC2)nn1,KKPHBONWOGMEIH-UHFFFAOYSA-N
35941
+ rxn:2:89744:85874,CCS(=O)(=O)c1cnccc1NC(c1ccc(CN2CCN(C)CC2)cc1)C1CCCC1,FYHJDAWBMXZKRN-UHFFFAOYSA-N
35942
+ rxn:2:89818:107393,CC1Cc2nc(N3CCN(C)CC3)ncc2C(Nc2[nH]nc(C3CC3)c2S(C)(=O)=O)C1,SIGHYTODAHIXAX-UHFFFAOYSA-N
35943
+ rxn:2:89818:120015,CCCC(C#CN1CCN(C)CC1)Nc1[nH]nc(C2CC2)c1S(C)(=O)=O,BWPVOTLBRUJHIR-UHFFFAOYSA-N
35944
+ rxn:2:90515:164204,CC(N[C@H]1CC[C@@H](CS(=O)(=O)F)CC1)c1csc(-c2cnn(C3CCOCC3)c2)c1,OOQUBRXQWDRTTP-HJJVPOFPSA-N
35945
+ rxn:2:90515:91574,CCCCC(N[C@H]1CC[C@@H](CS(=O)(=O)F)CC1)c1ccc2c(c1)OCO2,UBTIHALWRYQAMK-JGHJKYEYSA-N
35946
+ rxn:2:90636:149518,CO[C@@H]1CCN(c2nccc(NC(C)c3ccc(N4CCS(=O)(=O)CC4)cc3)n2)C[C@@H]1F,FMMZZNUKOLLWPS-KHMGXFTDSA-N
35947
+ rxn:2:90636:162580,CCC(Nc1ccnc(N2CC[C@@H](OC)[C@@H](F)C2)n1)c1ccc(N2CCS(=O)(=O)CC2)nc1,HJPDUGPAUFBHQY-LJJQOFDWSA-N
35948
+ rxn:2:90671:141967,CC1(C)C(C[Si](C)(C)C)CC1NC(c1ccccc1)C1CCCCCC1,PFDGZSREKWQNQC-UHFFFAOYSA-N
35949
+ rxn:2:90876:107703,CCN(OC)C1CCC(NC(CS(C)(=O)=O)c2ccc(OC)cc2)CC1,SGTVXHBOVGYBJK-UHFFFAOYSA-N
35950
+ rxn:2:91010:136330,CCN(CC)c1cc(N2CCC(Nc3ccc(N4CC(OC)C(OC)C4)nc3)C2)ncn1,GZSUJGGSVLBKGD-UHFFFAOYSA-N
35951
+ rxn:2:91222:75187,CC(C)(C)CCCCC(Nc1c(C2CC2)c(C(C)(C)C)nn1C1CCCC1)c1ccccc1,DDYRZRVGDIFYTA-UHFFFAOYSA-N
35952
+ rxn:2:92143:140699,CCCC(CS(=O)(=O)F)Nc1ccc(N2CCN(CCOC)CC2)nc1,SPLCBBZJSTXURW-UHFFFAOYSA-N
35953
+ rxn:2:92211:163743,CS(=O)(=O)c1cccc(C(Nc2cccnc2N2CCN(C3CCC3)CC2)C2CCC2)c1,BSXUVKURQGGUDR-UHFFFAOYSA-N
35954
+ rxn:2:92741:140472,CCCC(NC1CCC(CS(=O)(=O)F)CC1)c1ccc(OC)c(OC)c1,KQKYCIXHCYJUCP-UHFFFAOYSA-N
35955
+ rxn:2:93213:151596,CC(CCCCn1c(=O)c2ncn(C)c2n(C)c1=O)NCCn1cnnc1C1CCC(F)(F)CC1,AUTGMZKSVPZUBV-UHFFFAOYSA-N
35956
+ rxn:2:93459:78954,CCc1c(C2CC2)nn(C2CCN(C)CC2)c1NC(C#C[Si](C)(C)C)CCc1ccccc1,ZGQVTDFYKMRHLE-UHFFFAOYSA-N
35957
+ rxn:2:94303:155159,CS(=O)(=O)c1ccc(C(CC2=NCCO2)NCCC2CC(F)(F)C2)cc1,MFDMPSOMIIFDFG-UHFFFAOYSA-N
35958
+ rxn:2:94600:166005,CS(=O)(=O)c1cccc(N2CCC(NCCC3C(c4cccc5c4OCO5)C3(F)F)CC2)c1,NQWUVXXOOPAMSQ-UHFFFAOYSA-N
35959
+ rxn:2:94694:127780,CCC(NCC1CCC(C)(C)CN1C)c1ccc(N2CCC(F)(F)CC2)cc1,JJHODCQSXOLRLH-UHFFFAOYSA-N
35960
+ rxn:2:95048:155159,CS(=O)(=O)c1ccc(C(CC2=NCCO2)NCCCN2CCC(F)(F)CC2)cc1,NMMHZAMCKMCVDX-UHFFFAOYSA-N
35961
+ rxn:2:95862:106165,C[C@H](NC1CC2CCCC(C1)N2c1ccccc1)C1CCC(C)(C)CC1,KOABRNYUCWDDGP-GKYSZTIZSA-N
35962
+ rxn:2:96642:129974,CCCC(NCc1ccc(CS(=O)(=O)F)cc1)C1CCN(C2CC2)CC1,RRRNVRSASHTTQR-UHFFFAOYSA-N
35963
+ rxn:2:96858:120015,CCCC(C#CN1CCN(C)CC1)Nc1ccc(N2CCC(F)(F)CC2)cc1,KHYKNIFICINCHB-UHFFFAOYSA-N
35964
+ rxn:2:97109:107703,CCCCN1CCC(CNC(CS(C)(=O)=O)c2ccc(OC)cc2)CC1,XIMLYTARPRANFE-UHFFFAOYSA-N
35965
+ rxn:2:97231:103974,CC1(C)CC(NCCC2CCC[Si](C)(C)CC2)C(C)(C)c2ccccc21,NHNYRSQCTXRGAI-UHFFFAOYSA-N
35966
+ rxn:2:97231:104662,CC(C)(C)C(NCCC1CCC[Si](C)(C)CC1)c1ccc(C2CCC2)cc1,FYQAANJBVIVCFI-UHFFFAOYSA-N
35967
+ rxn:2:97231:129185,CCC1Oc2ccc(C(C)C)cc2C1NCCC1CCC[Si](C)(C)CC1,RBJYCYVRYUTMIV-UHFFFAOYSA-N
35968
+ rxn:2:97231:96368,CC1CCC(C)c2cc(C(C)NCCC3CCC[Si](C)(C)CC3)ccc21,NNPGZEDCDYLLMN-UHFFFAOYSA-N
35969
+ rxn:2:97493:107703,COc1ccc(C(CS(C)(=O)=O)NCC2CCN(c3ncc(C(C)(C)C)cn3)CC2)cc1,PAZPSMBRZOEFGJ-UHFFFAOYSA-N
35970
+ rxn:2:97897:108867,CCc1nn(C2CCN(C)CC2)c(NC(c2ccc(OC)cc2)C(C)N(C)C)c1CC,UXOHINFNOZYWEH-UHFFFAOYSA-N
35971
+ rxn:2:98725:130027,CCCN1CCN(c2ccc(OC)cc2NC(CC)CCS(C)(=O)=O)CC1,HJLORSOMXXSWDZ-UHFFFAOYSA-N
35972
+ rxn:2:98725:149518,CCCN1CCN(c2ccc(OC)cc2NC(C)c2ccc(N3CCS(=O)(=O)CC3)cc2)CC1,CIUCWPBMZIQGJK-UHFFFAOYSA-N
35973
+ rxn:2:99043:144179,CC(NC1(CS(C)(=O)=O)CCCCC1)c1ccc(-c2ccc(C3CC3)nc2)c2c1OCO2,DUBDUCYPPJILBS-UHFFFAOYSA-N
35974
+ rxn:2:99344:104818,CC1(C)CC(NC(c2ccncc2)C2C3CC4CC(C3)CC2C4)CC(C)(C)C1,IIQICLSJVBRYJF-UHFFFAOYSA-N
35975
+ rxn:2:99522:141967,CC1(C)C(C[Si](C)(C)C)CC1NC(c1ccc(C2CC2)cc1)C1CCC1,VJWXTYPKVOPVTN-UHFFFAOYSA-N
35976
+ rxn:2:99792:102573,CC(C)(C)[Si](C)(C)Oc1cccc2c1C(Nc1nc(N3CCC(F)(F)CC3)n[nH]1)CC2,QAJOUVYPQQSMQN-UHFFFAOYSA-N