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1
urdof7 commited on
Commit
555e6b5
·
verified ·
1 Parent(s): c948b97

Added 309 molecules from epoch 17710 for Q9BY41

Browse files
Files changed (1) hide show
  1. Q9BY41_molecules.csv +309 -0
Q9BY41_molecules.csv CHANGED
@@ -32762,3 +32762,312 @@ rxn:2:99213:121598,CS(=O)(=O)c1cccc(C(NC2CC(F)Cn3nc(C4CCCCC4)nc32)C2CC2)c1,XFSNR
32762
  rxn:2:99253:78954,CCn1nc(C2CCC2)c(C2CCC2)c1NC(C#C[Si](C)(C)C)CCc1ccccc1,XCJIGWXOTHKXKX-UHFFFAOYSA-N
32763
  rxn:2:99484:144237,CC(=O)c1cncc(C2C(CSC(C)Nc3c(C)c(C4CCCC4)nn3C)C2(F)F)c1,HODMNIYNWRZUFK-UHFFFAOYSA-N
32764
  rxn:2:99899:141967,CSc1ccc(C2C(CNC3CC(C[Si](C)(C)C)C3(C)C)C2(F)F)cc1,WCOMESPSAVOTAS-UHFFFAOYSA-N
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
32762
  rxn:2:99253:78954,CCn1nc(C2CCC2)c(C2CCC2)c1NC(C#C[Si](C)(C)C)CCc1ccccc1,XCJIGWXOTHKXKX-UHFFFAOYSA-N
32763
  rxn:2:99484:144237,CC(=O)c1cncc(C2C(CSC(C)Nc3c(C)c(C4CCCC4)nn3C)C2(F)F)c1,HODMNIYNWRZUFK-UHFFFAOYSA-N
32764
  rxn:2:99899:141967,CSc1ccc(C2C(CNC3CC(C[Si](C)(C)C)C3(C)C)C2(F)F)cc1,WCOMESPSAVOTAS-UHFFFAOYSA-N
32765
+ rxn:1:1035:46349,CCS(=O)(=O)N1CCN(Cc2cn(CCC=Cc3cc([N+](=O)[O-])ccc3Cl)nn2)CC1,NUZQISKKCZHHFX-UHFFFAOYSA-N
32766
+ rxn:1:10535:50931,Cc1ccc(S(=O)(=O)N2CCN(Cc3cn(CC4C(c5cc([N+](=O)[O-])cnc5N)C4(F)F)nn3)CC2)cc1,UTETUDXDUBGPLH-UHFFFAOYSA-N
32767
+ rxn:1:10552:45180,CN1C(=O)C(Cl)=C(n2cc(CS(=O)CC(=O)c3ccc4c(c3)NC(=O)CO4)nn2)C1O,YRSXWMRVOQAEOI-UHFFFAOYSA-N
32768
+ rxn:1:10555:42566,CCC1(Cn2cc(CS(=O)CC(=O)c3ccc4c(c3)N(C)C(=O)CO4)nn2)CCNC1=O,YAWGTFCRUFRSFT-UHFFFAOYSA-N
32769
+ rxn:1:10555:43508,CN1C(=O)COc2ccc(C(=O)CS(=O)Cc3cn(C4C(=O)OCC4(C)C)nn3)cc21,XUTXNNGCTNQBAS-UHFFFAOYSA-N
32770
+ rxn:1:10557:64301,CC1Oc2ccc(C(=O)CS(=O)Cc3cn(C4CCN(C)C4=O)nn3)cc2N(C)C1=O,CYDWCOTVCKITCW-UHFFFAOYSA-N
32771
+ rxn:1:10649:63078,CN(C)C(=O)Nc1cccc(-c2cn(CC3CC(=O)N(C4=NC(=O)CN4C)C3)nn2)c1,HBWOOIWNFLVTMU-UHFFFAOYSA-N
32772
+ rxn:1:10879:54435,O=C1COc2ccc([N+](=O)[O-])nc2N1Cc1cn(CCC2C(c3ccccc3S(=O)(=O)F)C2(F)F)nn1,UFKREQCNDUWNIP-UHFFFAOYSA-N
32773
+ rxn:1:1091:46260,O=C(CN1CCS(=O)CC1)NCc1cn(CCC=Cc2ccccc2S(=O)(=O)F)nn1,XYMLCINWRGZDCP-UHFFFAOYSA-N
32774
+ rxn:1:1091:46261,O=C(CN1CCS(=O)CC1)NCc1cn(CCC=Cc2ccc(S(=O)(=O)F)cc2)nn1,TVJHHABLYAZDEG-UHFFFAOYSA-N
32775
+ rxn:1:10918:63066,CN(C)C(=O)c1cccc(N2CC(Cn3cc(CN4C(=O)C=CC4=O)nn3)CC2=O)c1,DBIHDYCOLLDHMH-UHFFFAOYSA-N
32776
+ rxn:1:11117:61742,CC(C)NC(=O)C(F)(F)n1cc(-c2cccc(NC(=O)C3(C(=O)O)CCCC3)c2)nn1,KDIWEILAVQCZKR-UHFFFAOYSA-N
32777
+ rxn:1:11181:42923,O=C(CC1CCS(=O)(=O)CC1)NCc1cn(CC#Cc2ccccc2S(=O)(=O)F)nn1,KJIUSLRXFXTAKW-UHFFFAOYSA-N
32778
+ rxn:1:11181:58138,O=C(CC1CCS(=O)(=O)CC1)NCc1cn(CCCc2ccccc2S(=O)(=O)F)nn1,KNOQMBZOBHYBOT-UHFFFAOYSA-N
32779
+ rxn:1:11181:58139,O=C(CC1CCS(=O)(=O)CC1)NCc1cn(CCCc2ccc(S(=O)(=O)F)cc2)nn1,YPOUCRIRPMINGL-UHFFFAOYSA-N
32780
+ rxn:1:11220:61523,COc1cc(C=C2C(=O)NC(=S)NC2=O)ccc1OCc1cn(C2(C(=O)O)CCC2)nn1,UIWQANFZBBRTNB-UHFFFAOYSA-N
32781
+ rxn:1:11557:64125,O=C1CC(Cn2cc(CN(c3ccc4c(c3)OCO4)S(=O)(=O)c3ccccc3Cl)nn2)CN1CS(=O)(=O)O,YFHWEURPJINGPF-UHFFFAOYSA-N
32782
+ rxn:1:12029:59722,O=C(C1COc2ccccc2O1)N1CCC(n2cc(CCCCS(=O)(=O)Cl)nn2)CC1,XNSDGINNFKBQCA-UHFFFAOYSA-N
32783
+ rxn:1:12029:65171,O=C1CC(Cn2cc(CCCCS(=O)(=O)Cl)nn2)CN1c1cc(Cl)cc([N+](=O)[O-])c1O,SUGSYVPPXGXMFQ-UHFFFAOYSA-N
32784
+ rxn:1:1296:61385,CN1CC(Cn2cc(CN3C(=O)SC(=Cc4ccc(N(C)C)c(Br)c4)C3=O)nn2)CC1=O,VGYOSYQWNGVKPL-UHFFFAOYSA-N
32785
+ rxn:1:13854:64444,CC(C)(C)OC(=O)N[C@H]1C=C(c2cn(CCCS(=O)(=O)Cl)nn2)CC1,DKXFQEDANDFPNH-GFCCVEGCSA-N
32786
+ rxn:1:1746:61738,CN(C)C(=O)C1(n2cc(COc3ccc(C=C4C(=O)NC(=S)NC4=O)cc3Br)nn2)CCC1,MHQABAFSZDFKMV-UHFFFAOYSA-N
32787
+ rxn:1:1870:62967,CC(=O)c1ccc(N2CC(Cn3cc(CN4C(=O)CN(C)C4=O)nn3)CC2=O)c([N+](=O)[O-])c1,OEQIRHFXICVBJS-UHFFFAOYSA-N
32788
+ rxn:1:1870:63547,Cc1ccc(N2CC(Cn3cc(CN4C(=O)CN(C)C4=O)nn3)CC2=O)c([N+](=O)[O-])c1,PPQYHRPTVVMKQJ-UHFFFAOYSA-N
32789
+ rxn:1:22273:62504,CN(C)c1ccc(C=CC=C2SC(=O)N(Cc3cn(CCCC(=O)O)nn3)C2=O)cc1,XFSWDBVLITWKOY-UHFFFAOYSA-N
32790
+ rxn:1:23188:49468,N#Cc1ccccc1S(=O)(=O)N1CCC(n2cc(CC3(C#N)CC(F)(F)C3)nn2)CC1,BLICHWVBDAMBDU-UHFFFAOYSA-N
32791
+ rxn:1:23905:59147,Cc1cccc([N+](=O)[O-])c1S(=O)(=O)n1cc(COc2ccc(C3C(C#N)=C(N)OC4=C3C(=O)CCC4)cc2Cl)nn1,RINZYQLUPXYQST-UHFFFAOYSA-N
32792
+ rxn:1:24180:59755,N#Cc1ccc(S(=O)(=O)N2CCCC(n3cc(CCCC(N)C(F)(F)F)nn3)C2)cc1,QZFAPNGAROZYKC-UHFFFAOYSA-N
32793
+ rxn:1:24206:49473,Cc1ccc(CS(=O)(=O)N2CCC(n3cc(C(C)N4CCC(F)(F)CC4)nn3)CC2)cc1,OUICBFJFWDNWDH-UHFFFAOYSA-N
32794
+ rxn:1:24361:43336,COc1cccc([N+](=O)[O-])c1C#CCn1cc(C[C@@H](C(=O)O)N2CC(=O)CC2=O)nn1,UYNIEWMEPNFOQW-INIZCTEOSA-N
32795
+ rxn:1:24361:43737,COc1ccc([N+](=O)[O-])c(C#CCn2cc(C[C@@H](C(=O)O)N3CC(=O)CC3=O)nn2)c1,SAVZZYYCNWKDHC-KRWDZBQOSA-N
32796
+ rxn:1:2486:62750,C[C@@H](c1ccc(Br)cc1)N1CC(Cn2cc(C(C)(C)N3CCS(=O)(=O)CC3)nn2)CC1=O,SONHWEBUWRAVFL-BHWOMJMDSA-N
32797
+ rxn:1:31104:51204,NC(=O)CC(CC(=O)O)c1cn(CC2C(c3cc4c(cc3C=O)OCO4)C2(F)F)nn1,DVNHKVNBBWGTHI-UHFFFAOYSA-N
32798
+ rxn:1:31612:62753,C[C@@H](c1ccc([N+](=O)[O-])cc1)N1CC(Cn2cc(CN3CCN(C)C3=O)nn2)CC1=O,YKXCLQLPHHGTRK-MLCCFXAWSA-N
32799
+ rxn:1:31735:49445,CN(C)c1cc(Br)ccc1-c1cn(CCNC2=CC(=O)N(C3CCC(=O)NC3=O)C2=O)nn1,MOOIEWMPJZZZLS-UHFFFAOYSA-N
32800
+ rxn:1:31851:59715,CC(=O)OC1(c2cn(C3CCN(C(=O)c4ccc([N+](=O)[O-])o4)CC3)nn2)CN(C(C)=O)C1,CTWKZBUZHMDPRH-UHFFFAOYSA-N
32801
+ rxn:1:32211:58397,CN(CCCn1cc(C(C)(C)OCCCI)nn1)C1CCS(=O)(=O)C1,KALKQZULWKCWCT-UHFFFAOYSA-N
32802
+ rxn:1:32518:54687,CC(CC(N)C(=O)O)c1cn(CCC2C(c3cc([N+](=O)[O-])c(O)cc3F)C2(F)F)nn1,LRAKBIDDMAEZNA-UHFFFAOYSA-N
32803
+ rxn:1:32723:63988,CC(C(=O)NCc1cn(CC2CC(=O)N(CC(=O)O)C2)nn1)=C(C)c1ccc(F)cc1,JPNPTYGHFLTMMT-UHFFFAOYSA-N
32804
+ rxn:1:33516:54465,CN1C(=O)COc2c(C(=O)NCc3cn(CCC4C(c5ccccc5S(=O)(=O)O)C4(F)F)nn3)cc(Cl)cc21,IHJUWVCEUKEOGU-UHFFFAOYSA-N
32805
+ rxn:1:3357:54436,O=S1(=O)CCC(O)(c2cn(CCC3C(c4ccc(S(=O)(=O)F)cc4)C3(F)F)nn2)CC1,AQMNLWVUGLBDHJ-UHFFFAOYSA-N
32806
+ rxn:1:3434:43521,CN1CC(=O)OB(c2cn(CC#Cc3c(C(=O)O)cccc3[N+](=O)[O-])nn2)OC(=O)C1,DMSPFIZDGPYJQM-UHFFFAOYSA-N
32807
+ rxn:1:3434:43526,CN1CC(=O)OB(c2cn(CC#Cc3cc(C=O)c(O)c([N+](=O)[O-])c3)nn2)OC(=O)C1,NQWKFVIMHPDXPJ-UHFFFAOYSA-N
32808
+ rxn:1:3434:43527,CN1CC(=O)OB(c2cn(CC#Cc3cc([N+](=O)[O-])cc(C=O)c3O)nn2)OC(=O)C1,FBOKHLSJVYTDJK-UHFFFAOYSA-N
32809
+ rxn:1:3434:47811,CN1CC(=O)OB(c2cn(CC(O)C(O)c3cc(F)cc([N+](=O)[O-])c3)nn2)OC(=O)C1,YGAAYCPNEQYTQJ-UHFFFAOYSA-N
32810
+ rxn:1:3434:47917,Cc1nc(Cl)c(C(O)C(O)Cn2cc(B3OC(=O)CN(C)CC(=O)O3)nn2)cc1[N+](=O)[O-],LBJKVISJGPYSJG-UHFFFAOYSA-N
32811
+ rxn:1:34548:54435,O=S1(=O)CCCN(Cc2cn(CCC3C(c4ccccc4S(=O)(=O)F)C3(F)F)nn2)CC1,JHNRUAXQNXWHIL-UHFFFAOYSA-N
32812
+ rxn:1:38541:59854,C[C@@H]1[C@@H](Cn2cc(CN3CCC(N4c5ccccc5N(C)S4(=O)=O)CC3)nn2)C1(F)F,JKTQYNIWEGFIGK-RHSMWYFYSA-N
32813
+ rxn:1:39340:63277,COc1cc(Br)c(N2CC(Cn3cc(CCCS(=O)(=O)Cl)nn3)CC2=O)c([N+](=O)[O-])c1,ICNPQTOGDZMMMK-UHFFFAOYSA-N
32814
+ rxn:1:40015:540,O=C1SC(=Cc2ccc(N3CCCCC3)o2)C(=O)N1Cc1cn(Cc2ccccc2S(=O)(=O)Cl)nn1,DFQMWGZAQPLWKJ-UHFFFAOYSA-N
32815
+ rxn:1:40799:11373,Cc1c(C(=O)O)cccc1-c1ccc(C=C2SC(=O)N(Cc3cn(CC=Cc4ccc(S(=O)(=O)F)cc4)nn3)C2=O)o1,IVNHQARZNPLTKH-UHFFFAOYSA-N
32816
+ rxn:1:40863:29320,C[C@@H](C(=O)O)n1cc(C=CCn2cc(COc3ccc(Cl)cc3C(=O)N3CCN(C)CC3)nn2)cn1,LUBQCTOMAHZAFV-KRWDZBQOSA-N
32817
+ rxn:1:40867:38541,COC(=O)C1(n2cc(CN3CCC(N4c5ccccc5N(C)S4(=O)=O)CC3)nn2)CC1,HSLOQDCARRADSU-UHFFFAOYSA-N
32818
+ rxn:1:40967:27612,CCC(C)(c1cn(CC=Cc2ccc([N+](=O)[O-])c(C)c2)nn1)N1CC(CS(=O)(=O)Cl)CC1=O,RYAXEURAGSRQTK-UHFFFAOYSA-N
32819
+ rxn:1:41119:18886,CS(=O)(=O)N1CCN(CCc2cn(CC=Cc3cc([N+](=O)[O-])c(N)cc3Cl)nn2)CC1,LHDMZOZGZOFHIV-UHFFFAOYSA-N
32820
+ rxn:1:41120:18886,CS(=O)(=O)N1CCN(CCc2cn(CC=Cc3cc([N+](=O)[O-])c(N)cc3F)nn2)CC1,AFBCAGJWTXFERY-UHFFFAOYSA-N
32821
+ rxn:1:41186:18886,CS(=O)(=O)N1CCN(CCc2cn(CC=Cc3cc([N+](=O)[O-])c(F)cc3F)nn2)CC1,GYLXJMNYHWBLFT-UHFFFAOYSA-N
32822
+ rxn:1:41213:24679,O=Cc1cc([N+](=O)[O-])ccc1C=CCn1cc(C2CC(=O)N(C3CCN(Cc4ccccc4)C3)C2)nn1,GXTKZRFWSGMNLJ-UHFFFAOYSA-N
32823
+ rxn:1:41428:13507,CCC(=O)N=c1sc2cc(S(N)(=O)=O)ccc2n1Cc1cn(CC=Cc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])nn1,TWRKVHFMRLRACG-UHFFFAOYSA-N
32824
+ rxn:1:41428:31316,CS(=O)(=O)c1ccc(C=CCn2cc(C3CCC(C(=O)OCc4ccccc4)CC3)nn2)c([N+](=O)[O-])c1,IIODNTZZYPWKCQ-UHFFFAOYSA-N
32825
+ rxn:1:41455:2481,O=C1C=CC(=O)N1c1ccc(C=CCn2cc(C3CCN(S(=O)(=O)Cl)CC3)nn2)cc1,RLJMKHBXMBRKFB-UHFFFAOYSA-N
32826
+ rxn:1:41607:27612,CCC(C)(c1cn(CC=Cc2cc(C)ccc2[N+](=O)[O-])nn1)N1CC(CS(=O)(=O)Cl)CC1=O,GXAPMIXUNUAEPY-UHFFFAOYSA-N
32827
+ rxn:1:42321:24875,CC(=O)N1CCC(N2CC(c3cn(CC#Cc4ccc([N+](=O)[O-])s4)nn3)CC2=O)CC1,OWMFRZBTINMZAZ-UHFFFAOYSA-N
32828
+ rxn:1:4233:46450,Nc1c(F)cc([N+](=O)[O-])cc1C=CCCn1cc(CNCCN2CCS(=O)CC2)nn1,KDMUJJXFEIGNOT-UHFFFAOYSA-N
32829
+ rxn:1:42347:10795,COc1ccc(OC)c(C=C2SC(=O)N(Cc3cn(CC(C)(C)[N+](=O)[O-])nn3)C2=O)c1,HFOMYNUISDSAEB-UHFFFAOYSA-N
32830
+ rxn:1:42566:13621,CCC1(Cn2cc(CN3C(=O)SC(=Cc4cn(CC(=O)O)c5ccccc45)C3=O)nn2)CCNC1=O,DLZJTECJUPAAFP-UHFFFAOYSA-N
32831
+ rxn:1:42566:930,CCC1(Cn2cc(CN3C(=O)SC(=Cc4ccc(OC)c(Cl)c4)C3=O)nn2)CCNC1=O,NEAZEKGWZUNFCE-UHFFFAOYSA-N
32832
+ rxn:1:42566:9728,CCC1(Cn2cc(CN3C(=O)SC(=Cc4cc(C)n(-c5cccnc5)c4C)C3=O)nn2)CCNC1=O,ZAOXQBYHAMJAIH-UHFFFAOYSA-N
32833
+ rxn:1:42572:31994,CC(C)(C)OC(=O)N1CCC(=O)C[C@@H]1c1cn(CC#Cc2ccc([N+](=O)[O-])cn2)nn1,IQGOQWXQSHLXOO-GOSISDBHSA-N
32834
+ rxn:1:42588:8099,CC(C)C1(Cn2cc(C(=O)N3CCC(c4cc(-c5cccc(F)c5)n(C)n4)CC3)nn2)CCNC1=O,DVVOSCPHULFUJT-UHFFFAOYSA-N
32835
+ rxn:1:42934:8108,CC(=O)c1ccc(F)c(C#CCn2cc(C(=O)N3CCN(C(C)=O)CC(CO)C3)nn2)c1,PSAULNVQQXRHME-UHFFFAOYSA-N
32836
+ rxn:1:43012:14870,CC(=N)NN=C1C=CC(=NNc2cn(CC#Cc3c[n+]([O-])ccc3[N+](=O)[O-])nn2)C=C1,RGLQUKWGDKAFLQ-UHFFFAOYSA-N
32837
+ rxn:1:43012:25098,CN1CCC(N2CC(c3cn(CC#Cc4c[n+]([O-])ccc4[N+](=O)[O-])nn3)CC2=O)CC1,FDIODDNORKPARD-UHFFFAOYSA-N
32838
+ rxn:1:43012:25977,O=C1C=C(N2CC(c3cn(CC#Cc4c[n+]([O-])ccc4[N+](=O)[O-])nn3)CC2=O)CCC1,YTRWFWKEGUHYKZ-UHFFFAOYSA-N
32839
+ rxn:1:43012:7073,CC(C)(C)OC(=O)N1C(=O)CCC1c1cn(CC#Cc2c[n+]([O-])ccc2[N+](=O)[O-])nn1,STYPDPVMBNTSQE-UHFFFAOYSA-N
32840
+ rxn:1:43109:8108,CC(=O)c1ccc(C#CCn2cc(C(=O)N3CCN(C(C)=O)CC(CO)C3)nn2)c(N)c1,NWIFFKCQUIRPDQ-UHFFFAOYSA-N
32841
+ rxn:1:43327:7738,COc1cc(C#CCn2cc(COC(=O)ON3C(=O)CCC3=O)nn2)cc([N+](=O)[O-])c1,FSFDWPMWLUQFML-UHFFFAOYSA-N
32842
+ rxn:1:43336:7738,COc1cccc([N+](=O)[O-])c1C#CCn1cc(COC(=O)ON2C(=O)CCC2=O)nn1,QJMBKKVKNZWDNS-UHFFFAOYSA-N
32843
+ rxn:1:43414:9132,O=C1CCC(=CC(=O)NCc2cn(CC#Cc3ccc4c(c3)OCC(=O)N4)nn2)CC1,BCWRJHAWTKPVDF-UHFFFAOYSA-N
32844
+ rxn:1:43512:25096,CN1CC(=O)N=C1N1CC(c2cn(CC#Cc3cc(C(N)=O)cc([N+](=O)[O-])c3)nn2)CC1=O,FROLYEZNGUXEST-UHFFFAOYSA-N
32845
+ rxn:1:43549:11212,CS(=O)(=O)c1ccc(C#CCn2cc(COc3ccc(S(=O)(=O)N4CC(O)C4)cc3)nn2)c([N+](=O)[O-])c1,OPGYBUPYGOMLGG-UHFFFAOYSA-N
32846
+ rxn:1:43549:13643,CS(=O)(=O)c1ccc(C#CCn2cc(-c3ccc(C(=O)N4CCS(=O)(=O)CC4)cc3)nn2)c([N+](=O)[O-])c1,ZIIXLSOGXYFJIK-UHFFFAOYSA-N
32847
+ rxn:1:43574:11172,O=C1CCC(=CC(=O)Nc2cccc(-c3cn(CC#Cc4ccc(N5C(=O)C=CC5=O)cc4)nn3)c2)CC1,LZVCBOFYKNRHOA-UHFFFAOYSA-N
32848
+ rxn:1:43574:24867,CC(=O)C=C(C)N1CC(c2cn(CC#Cc3ccc(N4C(=O)C=CC4=O)cc3)nn2)CC1=O,RONYQBTWVDZJKN-UHFFFAOYSA-N
32849
+ rxn:1:43620:29511,O=C1NC2(C(=O)N1Cc1cn(CCS(=O)(=O)F)nn1)C(=O)N(Cc1c(F)cccc1Cl)c1ccccc12,KNGZBAWKEXSGIZ-UHFFFAOYSA-N
32850
+ rxn:1:45157:23845,O=S(=O)(Cl)c1ccc(S(=O)(=O)NCc2cn(CCC#Cc3cccc(N4CCCS4(=O)=O)c3)nn2)cc1,OORFUUCHSVTFJP-UHFFFAOYSA-N
32851
+ rxn:1:45185:28850,CC(C)N1C(=O)C(Cl)=C(n2cc(-c3ccc(C4C(CC(=O)O)C4(F)F)cc3)nn2)C1O,JIKVBDQGOOJXPV-UHFFFAOYSA-N
32852
+ rxn:1:46243:14719,CS(=O)(=O)c1ccccc1C=CCCn1cc(-c2cc(C(=O)N3CCOCC3)cc(C(F)(F)F)c2)nn1,HBFKODGWHLKNMZ-UHFFFAOYSA-N
32853
+ rxn:1:46243:38707,CS(=O)(=O)c1ccccc1C=CCCn1cc(CN2C(=O)SC(=Cc3cccc([N+](=O)[O-])c3O)C2=O)nn1,RKFARGMEUDTKHS-UHFFFAOYSA-N
32854
+ rxn:1:46261:18886,CS(=O)(=O)N1CCN(CCc2cn(CCC=Cc3ccc(S(=O)(=O)F)cc3)nn2)CC1,CTSBSAATURXLBD-UHFFFAOYSA-N
32855
+ rxn:1:46350:18886,CS(=O)(=O)N1CCN(CCc2cn(CCC=Cc3ccc([N+](=O)[O-])cc3Cl)nn2)CC1,JYBCHHRPFPTPBB-UHFFFAOYSA-N
32856
+ rxn:1:46361:12848,O=C1SC(=Cc2ccc(O)c([N+](=O)[O-])c2)C(=O)N1Cc1cn(CCC=Cc2c(Cl)cccc2[N+](=O)[O-])nn1,PGAOYCDKYYUICH-UHFFFAOYSA-N
32857
+ rxn:1:46450:788,Nc1c(F)cc([N+](=O)[O-])cc1C=CCCn1cc(CN2C(=O)SC(=Cc3ccc4c(c3)OCO4)C2=O)nn1,KIGCNPQZGITMBX-UHFFFAOYSA-N
32858
+ rxn:1:48186:316,O=C(CN1C(=O)c2cccc3c(-c4cn(CC(O)C(O)c5c(F)cccc5Br)nn4)ccc(c23)C1=O)N1CCCCC1,RPWKIZARFBTLOQ-UHFFFAOYSA-N
32859
+ rxn:1:49441:32461,CN(C)C(=O)CCCc1cn(-c2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)nn1,PMBGAYQYNZMAET-UHFFFAOYSA-N
32860
+ rxn:1:49465:27121,Cc1ccc(S(=O)(=O)N2CCC(n3cc(C4CC(=O)N(c5ccnc(C(F)(F)F)c5)C4)nn3)CC2)s1,YXFVVMSHGMUPST-UHFFFAOYSA-N
32861
+ rxn:1:49467:10540,N#Cc1ccc(S(=O)(=O)N2CCC(n3cc(CN4CCN(S(=O)(=O)c5ccc(F)cc5)CC4)nn3)CC2)cc1,HMDTWOXWOODPSR-UHFFFAOYSA-N
32862
+ rxn:1:49467:10879,N#Cc1ccc(S(=O)(=O)N2CCC(n3cc(CN4C(=O)COc5ccc([N+](=O)[O-])nc54)nn3)CC2)cc1,UBSQOJSYNFEGGH-UHFFFAOYSA-N
32863
+ rxn:1:49467:27112,N#Cc1ccc(S(=O)(=O)N2CCC(n3cc(C4CC(=O)N(c5cc(F)cc(C#N)c5)C4)nn3)CC2)cc1,KBAFCHJQIMYIRS-UHFFFAOYSA-N
32864
+ rxn:1:49468:7081,N#Cc1ccccc1S(=O)(=O)N1CCC(n2cc([C@H]3CC[C@H](C(F)F)CC3)nn2)CC1,QRGVNZISDQMTMS-WKILWMFISA-N
32865
+ rxn:1:49472:26544,Cc1cc(F)ccc1S(=O)(=O)N1CCC(n2cc(C3CC(=O)N(c4cc(Cl)ccc4[N+](=O)[O-])C3)nn2)CC1,GAJDFBQNPGWAFE-UHFFFAOYSA-N
32866
+ rxn:1:49472:27319,Cc1cc(F)ccc1S(=O)(=O)N1CCC(n2cc(C3CC(=O)N(c4cccc([N+](=O)[O-])c4N)C3)nn2)CC1,OPAUBZKBVHEPDM-UHFFFAOYSA-N
32867
+ rxn:1:49472:35957,Cc1cc(F)ccc1S(=O)(=O)N1CCC(n2cc(CN3C(=O)SC(=Cc4ccc(I)cc4)C3=O)nn2)CC1,ZLSWYBRWOCRERT-UHFFFAOYSA-N
32868
+ rxn:1:49472:4233,Cc1cc(F)ccc1S(=O)(=O)N1CCC(n2cc(CNCCN3CCS(=O)CC3)nn2)CC1,XEWJSZAVFUNFJQ-UHFFFAOYSA-N
32869
+ rxn:1:49472:724,Cc1cc(F)ccc1S(=O)(=O)N1CCC(n2cc(CN3C(=O)SC(=Cc4ccc(Cl)cc4)C3=O)nn2)CC1,PCMGWOFPLCYKET-UHFFFAOYSA-N
32870
+ rxn:1:49474:33340,Cc1ccc(S(=O)(=O)N2CCC(n3cc(-c4ccc(C(=O)NCC(F)(F)F)cc4C)nn3)CC2)cc1C,KXAWFBAGDZWOFY-UHFFFAOYSA-N
32871
+ rxn:1:49475:26289,Cc1ccc(S(=O)(=O)N2CCC(n3cc(C4CC(=O)N(Cc5ccc(C(F)(F)F)nc5)C4)nn3)CC2)c(C)c1,OQUJNVMUKCRLHM-UHFFFAOYSA-N
32872
+ rxn:1:49475:33340,Cc1ccc(S(=O)(=O)N2CCC(n3cc(-c4ccc(C(=O)NCC(F)(F)F)cc4C)nn3)CC2)c(C)c1,KBWLKIAVBAYCMU-UHFFFAOYSA-N
32873
+ rxn:1:49477:27112,Cc1cc(C)cc(S(=O)(=O)N2CCC(n3cc(C4CC(=O)N(c5cc(F)cc(C#N)c5)C4)nn3)CC2)c1,BPKZPIMPXQYRMK-UHFFFAOYSA-N
32874
+ rxn:1:49477:3323,Cc1cc(C)cc(S(=O)(=O)N2CCC(n3cc(C(=O)N4CCN(c5ccccc5Cl)CC4)nn3)CC2)c1,OSGIWYWSXOSNDN-UHFFFAOYSA-N
32875
+ rxn:1:49477:3434,Cc1cc(C)cc(S(=O)(=O)N2CCC(n3cc(B4OC(=O)CN(C)CC(=O)O4)nn3)CC2)c1,IHAFZXGMFXWUGF-UHFFFAOYSA-N
32876
+ rxn:1:49477:7027,Cc1cc(C)cc(S(=O)(=O)N2CCC(n3cc(CC(CBr)CC(F)(F)F)nn3)CC2)c1,GFMJCOIHLXIPMP-UHFFFAOYSA-N
32877
+ rxn:1:49477:8525,Cc1cc(C)cc(S(=O)(=O)N2CCC(n3cc(CN4C(=O)N(c5cc(Cl)ccc5C)S(=O)(=O)c5ccccc54)nn3)CC2)c1,RKNAJBCNFALYTQ-UHFFFAOYSA-N
32878
+ rxn:1:49478:11010,CCc1ccc(S(=O)(=O)N2CCC(n3cc(CN(C4CC4)S(=O)(=O)c4ccc(Br)cc4)nn3)CC2)cc1,HWPUMTBYUOOUBY-UHFFFAOYSA-N
32879
+ rxn:1:49478:26476,CCc1ccc(S(=O)(=O)N2CCC(n3cc(C4CC(=O)N(c5c(Cl)cc(Br)cc5[N+](=O)[O-])C4)nn3)CC2)cc1,QCKJVUWKNSMHJU-UHFFFAOYSA-N
32880
+ rxn:1:49478:35957,CCc1ccc(S(=O)(=O)N2CCC(n3cc(CN4C(=O)SC(=Cc5ccc(I)cc5)C4=O)nn3)CC2)cc1,PQBBPWBQNGJUDV-UHFFFAOYSA-N
32881
+ rxn:1:49478:5257,CCc1ccc(S(=O)(=O)N2CCC(n3cc(CCS(=O)(=O)c4cc(C(=O)O)ccc4F)nn3)CC2)cc1,CNVCJQQPXBRHQO-UHFFFAOYSA-N
32882
+ rxn:1:49503:26476,CS(=O)(=O)[C@H]1C[C@H](Cn2cc(C3CC(=O)N(c4c(Cl)cc(Br)cc4[N+](=O)[O-])C3)nn2)C1,NLSRLEMTXFKJQE-OGQWXTSSSA-N
32883
+ rxn:1:49801:12233,O=C1CCC(=O)N1c1ccc(S(=O)(=O)NCc2cn(CC3C(c4c(F)cccc4Br)C3(F)F)nn2)cc1,HDODHOOETQIUPN-UHFFFAOYSA-N
32884
+ rxn:1:50273:26635,Nc1ccc(S(=O)(=O)O)c(N2CC(c3cn(CC4C(c5cc(Cl)cc(Cl)c5O)C4(F)F)nn3)CC2=O)c1,RYYGOXIQFFQATH-UHFFFAOYSA-N
32885
+ rxn:1:50274:26635,Nc1ccc(S(=O)(=O)O)c(N2CC(c3cn(CC4C(c5cc(F)cc(Cl)c5O)C4(F)F)nn3)CC2=O)c1,DOSGGUOBZMQLFD-UHFFFAOYSA-N
32886
+ rxn:1:50275:26635,Nc1ccc(S(=O)(=O)O)c(N2CC(c3cn(CC4C(c5cc(Cl)cc(F)c5O)C4(F)F)nn3)CC2=O)c1,KGZPVAIBTNJWCC-UHFFFAOYSA-N
32887
+ rxn:1:50277:26635,Nc1ccc(S(=O)(=O)O)c(N2CC(c3cn(CC4C(c5cc(Br)cc(F)c5O)C4(F)F)nn3)CC2=O)c1,UEUIOVIOGQPQGT-UHFFFAOYSA-N
32888
+ rxn:1:50278:26635,Nc1ccc(S(=O)(=O)O)c(N2CC(c3cn(CC4C(c5cc(Cl)cc(Br)c5O)C4(F)F)nn3)CC2=O)c1,YCOBXLMZDDVDSJ-UHFFFAOYSA-N
32889
+ rxn:1:50279:26635,Nc1ccc(S(=O)(=O)O)c(N2CC(c3cn(CC4C(c5cc(Br)cc(Br)c5O)C4(F)F)nn3)CC2=O)c1,PIGXWCIPOKBTQC-UHFFFAOYSA-N
32890
+ rxn:1:50628:27767,C[Si](C)(C)c1cccc(C2C(Cn3cc(-c4nc5c(c(C(F)(F)F)c4C#N)CCCC5)nn3)C2(F)F)c1,XBUGMYAFOXZMLX-UHFFFAOYSA-N
32891
+ rxn:1:50709:24657,O=C(O)Cc1ccccc1C1C(Cn2cc(C3CC(=O)N(C(CS)C(=O)O)C3)nn2)C1(F)F,REBFHQAYILURHT-UHFFFAOYSA-N
32892
+ rxn:1:50716:24361,O=C1CC(=O)N([C@@H](Cc2cn(CC3C(c4ccccc4S(=O)(=O)F)C3(F)F)nn2)C(=O)O)C1,SOJYMBIPPWIHNN-UUCFBXCCSA-N
32893
+ rxn:1:50716:33596,COc1ccc(Cl)cc1S(=O)(=O)N1CCN(Cc2cn(CC3C(c4ccccc4S(=O)(=O)F)C3(F)F)nn2)CC1,BINBHRGJOKDNJM-UHFFFAOYSA-N
32894
+ rxn:1:50716:34548,O=S1(=O)CCCN(Cc2cn(CC3C(c4ccccc4S(=O)(=O)F)C3(F)F)nn2)CC1,TZRYXNFEKQDZIG-UHFFFAOYSA-N
32895
+ rxn:1:50716:3771,O=C(OCc1ccccc1)N1CCC(F)(c2cn(CC3C(c4ccccc4S(=O)(=O)F)C3(F)F)nn2)CC1,XGIXHUSTAMXBFH-UHFFFAOYSA-N
32896
+ rxn:1:50716:6109,CCOC(=O)N1CCN(C(=O)c2cn(CC3C(c4ccccc4S(=O)(=O)F)C3(F)F)nn2)CC1,ZLIJBSDZYYVOFY-UHFFFAOYSA-N
32897
+ rxn:1:50717:1210,O=C1SC(=Cc2ccc(Cl)s2)C(=O)N1Cc1cn(CC2C(c3ccc(S(=O)(=O)F)cc3)C2(F)F)nn1,CSUMJXREKMDCKO-UHFFFAOYSA-N
32898
+ rxn:1:50717:34548,O=S1(=O)CCCN(Cc2cn(CC3C(c4ccc(S(=O)(=O)F)cc4)C3(F)F)nn2)CC1,ARCZLPJSIOADAW-UHFFFAOYSA-N
32899
+ rxn:1:50717:4040,CC(=O)N1CCN(C(=O)OCc2cn(CC3C(c4ccc(S(=O)(=O)F)cc4)C3(F)F)nn2)CC1,UCCJJNUDYDQRBQ-UHFFFAOYSA-N
32900
+ rxn:1:50717:6104,CC(C(=O)O)=C(C)C(=O)NCc1cn(CC2C(c3ccc(S(=O)(=O)F)cc3)C2(F)F)nn1,MRVJBDJRLIRFCR-UHFFFAOYSA-N
32901
+ rxn:1:50717:6109,CCOC(=O)N1CCN(C(=O)c2cn(CC3C(c4ccc(S(=O)(=O)F)cc4)C3(F)F)nn2)CC1,FQHUUUGBWWJRKM-UHFFFAOYSA-N
32902
+ rxn:1:50765:12488,O=C(N=c1sc2ccccc2n1Cc1cn(CC2C(c3ccccc3S(=O)(=O)O)C2(F)F)nn1)C1=COCCO1,ZZMCSTVEBAIPLG-UHFFFAOYSA-N
32903
+ rxn:1:50765:33029,C=C1CCN(C(=O)c2ccc(-c3cn(CC4C(c5ccccc5S(=O)(=O)O)C4(F)F)nn3)cc2Cl)CC1,DQXZYOMFWNRCBW-UHFFFAOYSA-N
32904
+ rxn:1:50765:4483,Nc1c[nH]c(C(=O)N2CCN(Cc3cn(CC4C(c5ccccc5S(=O)(=O)O)C4(F)F)nn3)CC2)c1,AJOOTNBBOUIYMV-UHFFFAOYSA-N
32905
+ rxn:1:50765:8057,O=C(c1cn(CC2C(c3ccccc3S(=O)(=O)O)C2(F)F)nn1)N1CCCC(Cc2nc3ccc(F)cc3[nH]2)C1,JSCSDHLNTHVUNT-UHFFFAOYSA-N
32906
+ rxn:1:50794:18886,CS(=O)(=O)N1CCN(CCc2cn(CC3C(c4cc([N+](=O)[O-])ccc4N)C3(F)F)nn2)CC1,PRSYKANFZDUJAX-UHFFFAOYSA-N
32907
+ rxn:1:50795:18886,CS(=O)(=O)N1CCN(CCc2cn(CC3C(c4ccc([N+](=O)[O-])cc4N)C3(F)F)nn2)CC1,XOZSOPPEHQJINO-UHFFFAOYSA-N
32908
+ rxn:1:50795:28770,CS(=O)(=O)N1CCN(Cc2cn(CC3C(c4ccc([N+](=O)[O-])cc4N)C3(F)F)nn2)CC1,OGHXMTXNAAWLEO-UHFFFAOYSA-N
32909
+ rxn:1:50847:10535,Cc1ccc(S(=O)(=O)N2CCN(Cc3cn(CC4C(c5ccc(S(N)(=O)=O)cc5)C4(F)F)nn3)CC2)cc1,HDWDQPCJJTTYJP-UHFFFAOYSA-N
32910
+ rxn:1:50847:9371,CCc1ccc(S(=O)(=O)N2CCN(Cc3cn(CC4C(c5ccc(S(N)(=O)=O)cc5)C4(F)F)nn3)CC2)cc1,IPGXGUWDBSNHEY-UHFFFAOYSA-N
32911
+ rxn:1:50861:1091,O=C(CN1CCS(=O)CC1)NCc1cn(CC2C(c3ccc(Br)cc3[N+](=O)[O-])C2(F)F)nn1,QJSPXNQEVGUYDO-UHFFFAOYSA-N
32912
+ rxn:1:50931:33292,Nc1ccc(S(=O)(=O)N2CCN(Cc3cn(CC4C(c5cc([N+](=O)[O-])cnc5N)C4(F)F)nn3)CC2)cc1,ICAWKMGHKQBQAE-UHFFFAOYSA-N
32913
+ rxn:1:50979:28848,O=C(O)Cc1ccc(F)c(C2C(Cn3cc(-c4cccc(C5C(CC(=O)O)C5(F)F)c4)nn3)C2(F)F)c1,BODMYVPAXYNQNS-UHFFFAOYSA-N
32914
+ rxn:1:51090:31245,CS(=O)(=O)N1CCC(Cc2cn(CC3C(c4ccc(C#N)c([N+](=O)[O-])c4)C3(F)F)nn2)C1,SKHYKHZBROWMBP-UHFFFAOYSA-N
32915
+ rxn:1:51142:39065,Cc1ccc(S(=O)(=O)N2CC(O)(c3cn(CC4C(c5ccc(S(N)(=O)=O)cc5F)C4(F)F)nn3)C2)cc1,TXHLUNXESLQUTL-UHFFFAOYSA-N
32916
+ rxn:1:51393:32518,CC(CC(N)C(=O)O)c1cn(CC2C(c3ccc(C#N)cc3C(F)(F)F)C2(F)F)nn1,HSSIQHRCRQGCTR-UHFFFAOYSA-N
32917
+ rxn:1:51422:72,NC1(C(=O)O)CC1c1cn(CC2C(c3ccc(C(=O)O)cc3C(F)(F)F)C2(F)F)nn1,MRMRKIAOHOZENC-UHFFFAOYSA-N
32918
+ rxn:1:51423:38906,N[C@H](CC(=O)O)Cc1cn(CC2C(c3ccc(C(=O)O)c(C(F)(F)F)c3)C2(F)F)nn1,UHOWJQIXVCHDAS-FIJUAKJSSA-N
32919
+ rxn:1:51423:38926,N[C@@H](CC(=O)O)Cc1cn(CC2C(c3ccc(C(=O)O)c(C(F)(F)F)c3)C2(F)F)nn1,UHOWJQIXVCHDAS-IFXDAHQISA-N
32920
+ rxn:1:51423:39617,NC(CC(=O)O)Cc1cn(CC2C(c3ccc(C(=O)O)c(C(F)(F)F)c3)C2(F)F)nn1,UHOWJQIXVCHDAS-UHFFFAOYSA-N
32921
+ rxn:1:51424:469,C[C@@](N)(Cc1cn(CC2C(c3cc(C(=O)O)cc(C(F)(F)F)c3)C2(F)F)nn1)C(=O)O,PZSGDDUCMXQAQA-SEEARECTSA-N
32922
+ rxn:1:51429:26661,O=C1CC(c2cn(CCCCS(=O)(=O)Cl)nn2)CN1c1ccc2c(c1)N1CCN=C1S2,GVWVSJWKGLHPIV-UHFFFAOYSA-N
32923
+ rxn:1:51466:2265,O=S1(=O)CCCN1c1cccc(C2C(Cn3cc(C4(S(=O)(=O)F)CC4)nn3)C2(F)F)c1,WEGJYQLFFWOFJL-UHFFFAOYSA-N
32924
+ rxn:1:51466:25140,CN1CC(C)(O)C(O)(c2cn(CC3C(c4cccc(N5CCCS5(=O)=O)c4)C3(F)F)nn2)CC1c1ccccc1,KSSIBPCOAIOFIF-UHFFFAOYSA-N
32925
+ rxn:1:51466:4166,Nc1ccc(F)cc1S(=O)(=O)NCc1cn(CC2C(c3cccc(N4CCCS4(=O)=O)c3)C2(F)F)nn1,XHOFUQNDQCHNFU-UHFFFAOYSA-N
32926
+ rxn:1:51799:38541,COC(=O)C(C)=Cn1cc(CN2CCC(N3c4ccccc4N(C)S3(=O)=O)CC2)nn1,KFPWWPMJPJPHNV-UHFFFAOYSA-N
32927
+ rxn:1:52751:24148,O=C(c1cn(CCC2CC2c2ccccc2S(=O)(=O)F)nn1)N1CCCS(=O)(=O)CC1,WXFITXVNYVLQRY-UHFFFAOYSA-N
32928
+ rxn:1:52857:1035,CCS(=O)(=O)N1CCN(Cc2cn(CCC3CC3c3ccc([N+](=O)[O-])cc3Cl)nn2)CC1,PWAFEOAMNRBIHZ-UHFFFAOYSA-N
32929
+ rxn:1:53106:12953,NC(=O)C(C(N)=O)C1OC(=O)C(Cl)=C1n1cc(-c2ccc(NC(=O)c3ccccc3B(O)O)cc2)nn1,HYAXYCCXGBUMEA-UHFFFAOYSA-N
32930
+ rxn:1:53213:33746,Cc1cc(C(=O)NCS(=O)(=O)O)ccc1-c1cn(CCC2CC2c2cccc(S(F)(F)(F)(F)F)c2)nn1,XSZKZIKTZNHRKN-UHFFFAOYSA-N
32931
+ rxn:1:53987:24618,O=C(O)C(c1cccc(Br)c1)N1CC(c2cn(CCC3C(c4ccc(Cl)cc4CO)C3(F)F)nn2)CC1=O,FTJHHIOKXRWPGQ-UHFFFAOYSA-N
32932
+ rxn:1:54101:33103,Cc1ccc(S(=O)(=O)N2CCN(Cc3cn(CCC4C(c5cccnc5[N+](=O)[O-])C4(F)F)nn3)CC2)cc1C,DNKOMJCOGGBKLB-UHFFFAOYSA-N
32933
+ rxn:1:54245:9371,CCc1ccc(S(=O)(=O)N2CCN(Cc3cn(CCC4C(c5[nH]c(C)nc5[N+](=O)[O-])C4(F)F)nn3)CC2)cc1,DCGIZLWWJXCGOB-UHFFFAOYSA-N
32934
+ rxn:1:54435:26609,O=C1CCc2cc(N3CC(c4cn(CCC5C(c6ccccc6S(=O)(=O)F)C5(F)F)nn4)CC3=O)ccc21,WWCZOOLNLAGSJF-UHFFFAOYSA-N
32935
+ rxn:1:54435:4734,CN1CCN(c2ccc(S(=O)(=O)Cc3cn(CCC4C(c5ccccc5S(=O)(=O)F)C4(F)F)nn3)cc2)CC1,SOJOWCIVZPFLFR-UHFFFAOYSA-N
32936
+ rxn:1:54436:11205,O=S(=O)(F)c1ccc(C2C(CCn3cc(COc4ccc(S(=O)(=O)N5CCOCC5)cc4)nn3)C2(F)F)cc1,NAMGOYUUQPGLJJ-UHFFFAOYSA-N
32937
+ rxn:1:54436:27190,O=C1CC(c2cn(CCC3C(c4ccc(S(=O)(=O)F)cc4)C3(F)F)nn2)CN1c1ccc2c(c1)S(=O)(=O)C=C2,VOKKWFOQJDNCOK-UHFFFAOYSA-N
32938
+ rxn:1:54465:18027,O=S1(=O)CCC(n2nc3c(c2-c2cn(CCC4C(c5ccccc5S(=O)(=O)O)C4(F)F)nn2)CCC3)C1,KIENFOAKJNNXMX-UHFFFAOYSA-N
32939
+ rxn:1:54465:27895,O=C1CC(C(=O)O)Oc2cc(F)c(-c3cn(CCC4C(c5ccccc5S(=O)(=O)O)C4(F)F)nn3)cc21,HWFLVHSBKPGQIU-UHFFFAOYSA-N
32940
+ rxn:1:54465:29384,O=C(c1ccccc1-c1cn(CCC2C(c3ccccc3S(=O)(=O)O)C2(F)F)nn1)N1CCC(F)(F)CC1,TZDRANORRURCPT-UHFFFAOYSA-N
32941
+ rxn:1:54465:3373,O=C(NCc1ccccc1)N1CCC(c2cn(CCC3C(c4ccccc4S(=O)(=O)O)C3(F)F)nn2)CC1,BYQAJNSALGFPIW-UHFFFAOYSA-N
32942
+ rxn:1:54465:38541,CN1c2ccccc2N(C2CCN(Cc3cn(CCC4C(c5ccccc5S(=O)(=O)O)C4(F)F)nn3)CC2)S1(=O)=O,LXTLMNCTGPVBIY-UHFFFAOYSA-N
32943
+ rxn:1:54483:28770,CS(=O)(=O)N1CCN(Cc2cn(CCC3C(c4cc([N+](=O)[O-])ccc4N)C3(F)F)nn2)CC1,BZHYMVPQYHHXIS-UHFFFAOYSA-N
32944
+ rxn:1:54484:28770,CS(=O)(=O)N1CCN(Cc2cn(CCC3C(c4ccc([N+](=O)[O-])cc4N)C3(F)F)nn2)CC1,LDQOIWZLZMCCBZ-UHFFFAOYSA-N
32945
+ rxn:1:54521:33292,Nc1ccc(S(=O)(=O)N2CCN(Cc3cn(CCC4C(c5ccc(S(N)(=O)=O)cc5)C4(F)F)nn3)CC2)cc1,ZJGIPULQKHDJQL-UHFFFAOYSA-N
32946
+ rxn:1:54641:28206,COc1cc(S(C)(=O)=O)ccc1NCc1cn(CCC2C(c3cc([N+](=O)[O-])cc(F)c3N)C2(F)F)nn1,NOYYXZCYTJRXDX-UHFFFAOYSA-N
32947
+ rxn:1:54641:31675,COc1cc(S(N)(=O)=O)ccc1NCc1cn(CCC2C(c3cc([N+](=O)[O-])cc(F)c3N)C2(F)F)nn1,FNUHMLUPVVUCKR-UHFFFAOYSA-N
32948
+ rxn:1:54642:8713,CS(=O)(=O)C1(c2cn(CCC3C(c4cc(Cl)cc([N+](=O)[O-])c4N)C3(F)F)nn2)CCC1,IIVDWFDEJGROLM-UHFFFAOYSA-N
32949
+ rxn:1:54675:186,Cn1cc(S(=O)(=O)NCc2cn(CCC3C(c4ccc(S(N)(=O)=O)cc4F)C3(F)F)nn2)c(CCl)n1,GAJWEZKANKFXGA-UHFFFAOYSA-N
32950
+ rxn:1:54865:38258,O=S(=O)(Cl)NCCc1cn(CCC2C(c3cccc(N4CCCS4(=O)=O)c3)C2(F)F)nn1,RTAJCBKHNAIKDF-UHFFFAOYSA-N
32951
+ rxn:1:551:40798,COc1cc(C=C2SC(=O)N(Cc3cn(CC=Cc4ccccc4S(=O)(=O)F)nn3)C2=O)cc2c1OCO2,IMZVYFLPCPIPAP-UHFFFAOYSA-N
32952
+ rxn:1:56526:7867,Nc1c(F)cc([N+](=O)[O-])cc1C1CC1Cn1cc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)nn1,IMCMEQVSWJTKHQ-UHFFFAOYSA-N
32953
+ rxn:1:58138:36139,Cc1cc(C=C2SC(=O)N(Cc3cn(CCCc4ccccc4S(=O)(=O)F)nn3)C2=O)c(C)n1-c1cccc([N+](=O)[O-])c1,CQPHMMGSHYJQFB-UHFFFAOYSA-N
32954
+ rxn:1:58138:9780,COc1c(Cl)cc(Br)cc1C=C1SC(=O)N(Cc2cn(CCCc3ccccc3S(=O)(=O)F)nn2)C1=O,RPZDUWYCZPCEDN-UHFFFAOYSA-N
32955
+ rxn:1:58248:26048,O=C1CC(c2cn(CCCc3cccc(F)c3[N+](=O)[O-])nn2)CN1CCCS(=O)(=O)O,VMGUSHNRKZOLBM-UHFFFAOYSA-N
32956
+ rxn:1:58268:12035,COc1ccc(S(=O)(=O)CCn2cc(CCN3CCN(CC(C)(C)O)CC3)nn2)cc1,BSZVIOOGQITNMA-UHFFFAOYSA-N
32957
+ rxn:1:58366:33103,Cc1ccc(S(=O)(=O)N2CCN(Cc3cn(CCCc4cc(F)cc([N+](=O)[O-])c4N)nn3)CC2)cc1C,YUUVVKACKVURCU-UHFFFAOYSA-N
32958
+ rxn:1:58394:4040,CC(=O)N1CCN(C(=O)OCc2cn(CCCc3cc([N+](=O)[O-])c(C)cc3F)nn2)CC1,YSOJSGZHXBFHPY-UHFFFAOYSA-N
32959
+ rxn:1:58408:3368,CC(C)S(=O)(=O)N1CCCC(c2cn(CCCc3cc(F)c(F)cc3[N+](=O)[O-])nn2)C1,JOZXQBZEZCEGPE-UHFFFAOYSA-N
32960
+ rxn:1:58415:27711,O=C1CC(S(=O)(=O)Cl)CN1c1ccc(OCc2cn(CCCc3cc([N+](=O)[O-])c(O)cc3F)nn2)cc1,ZOZUAKYLLVLGKQ-UHFFFAOYSA-N
32961
+ rxn:1:5897:59877,CCCN1CCN(C(=O)Cn2cc(COc3c(C(=O)O)cncc3[N+](=O)[O-])nn2)CC1,UNUCNCLCEQMQMI-UHFFFAOYSA-N
32962
+ rxn:1:59208:11006,CCOC(=O)c1ccc(S(=O)(=O)n2cc(CN3C(=O)SC(=Cc4ccc(Cl)c([N+](=O)[O-])c4)C3=O)nn2)cc1,KDAIQHZVMBCPES-UHFFFAOYSA-N
32963
+ rxn:1:59639:13053,CC(=O)N=c1sc2cc(S(N)(=O)=O)ccc2n1Cc1cn(C2CCN(C(=O)c3cccc([N+](=O)[O-])c3)CC2)nn1,GJBUAFBZSYWGIW-UHFFFAOYSA-N
32964
+ rxn:1:59641:298,O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(n2cc(CN3C(=O)c4ccc(I)c5c([N+](=O)[O-])ccc(c45)C3=O)nn2)CC1,UAFJQAGDYKHFRU-UHFFFAOYSA-N
32965
+ rxn:1:59646:2275,COc1cc(OC)cc(C(=O)N2CCC(n3cc(CCS(=O)(=O)c4ccc(F)c(C(=O)O)c4)nn3)CC2)c1,HJKMHTQFQKWLIP-UHFFFAOYSA-N
32966
+ rxn:1:59646:2505,COc1cc(OC)cc(C(=O)N2CCC(n3cc(C(=O)N4CCS(=O)(=O)CC4)nn3)CC2)c1,ZFTLHMLCZUEVKY-UHFFFAOYSA-N
32967
+ rxn:1:59646:27718,COc1cc(OC)cc(C(=O)N2CCC(n3cc(C[C@@H](C(=O)O)N4CC(S(=O)(=O)F)CC4=O)nn3)CC2)c1,XHNVIJVUWWYPMW-ANYOKISRSA-N
32968
+ rxn:1:59646:3544,COc1cc(OC)cc(C(=O)N2CCC(n3cc(COc4c(C(=O)O)cc(C)cc4[N+](=O)[O-])nn3)CC2)c1,QFWNCLKDKOJAIN-UHFFFAOYSA-N
32969
+ rxn:1:59646:4146,COc1cc(OC)cc(C(=O)N2CCC(n3cc(CS(=O)(=O)c4ccc(C)c(C(=O)O)c4)nn3)CC2)c1,COUGRWUMJHWNPK-UHFFFAOYSA-N
32970
+ rxn:1:59646:4737,COc1cc(OC)cc(C(=O)N2CCC(n3cc(CS(=O)(=O)c4cc([N+](=O)[O-])ccc4O)nn3)CC2)c1,FFWBUBCWLYRMLP-UHFFFAOYSA-N
32971
+ rxn:1:59646:5897,COc1cc(OC)cc(C(=O)N2CCC(n3cc(COc4c(C(=O)O)cncc4[N+](=O)[O-])nn3)CC2)c1,WNXIHDMVZOBUFB-UHFFFAOYSA-N
32972
+ rxn:1:59653:10544,CCOc1ccc(C(=O)N2CCC(n3cc(CS(=O)C(C(C)=O)C(C)=O)nn3)CC2)cc1,VPUOKVAUWOOLHM-UHFFFAOYSA-N
32973
+ rxn:1:59653:2275,CCOc1ccc(C(=O)N2CCC(n3cc(CCS(=O)(=O)c4ccc(F)c(C(=O)O)c4)nn3)CC2)cc1,REXGJRBTJCIFCH-UHFFFAOYSA-N
32974
+ rxn:1:59653:23778,CCOc1ccc(C(=O)N2CCC(n3cc(C4(n5cc(F)cn5)CCS(=O)(=O)CC4)nn3)CC2)cc1,SIGARLOWMBLWHP-UHFFFAOYSA-N
32975
+ rxn:1:59653:32798,CCOc1ccc(C(=O)N2CCC(n3cc(CN4CCS(=O)(=O)CC4)nn3)CC2)cc1,QPMLKKSLTDETHL-UHFFFAOYSA-N
32976
+ rxn:1:59653:5272,CCOc1ccc(C(=O)N2CCC(n3cc(CN4CCSc5ccc(S(=O)(=O)Cl)cc54)nn3)CC2)cc1,CUCCLJXOHJCXAM-UHFFFAOYSA-N
32977
+ rxn:1:59715:24412,O=C(c1ccc([N+](=O)[O-])o1)N1CCC(n2cc(C3CC(=O)N(C4CC4c4ccccc4)C3)nn2)CC1,RQLPJVKIHOJEFM-UHFFFAOYSA-N
32978
+ rxn:1:59715:9198,O=C(c1ccc([N+](=O)[O-])o1)N1CCC(n2cc(COc3cccc4c3C(=O)N(Cc3ccccc3Cl)C4=O)nn2)CC1,FISRALOTZJAJHE-UHFFFAOYSA-N
32979
+ rxn:1:59742:26435,O=C(c1cc(=O)c2ccccc2o1)N1CCC(n2cc(C3CC(=O)N(c4c(F)cc([N+](=O)[O-])cc4F)C3)nn2)CC1,QBLZNTMXKQTMRY-UHFFFAOYSA-N
32980
+ rxn:1:59742:3434,CN1CC(=O)OB(c2cn(C3CCN(C(=O)c4cc(=O)c5ccccc5o4)CC3)nn2)OC(=O)C1,NQEYPXSHOJRTMK-UHFFFAOYSA-N
32981
+ rxn:1:59749:33746,Cc1cc(C(=O)NCS(=O)(=O)O)ccc1-c1cn(C2CCN(C(=O)CCc3cccc(Cl)c3)CC2)nn1,NOXDCJZLAGTEQE-UHFFFAOYSA-N
32982
+ rxn:1:59751:12604,CCC(C(=O)N1CCC(n2cc(-c3cccc(C(=O)N4CCN(c5ncc(Br)cc5C)CC4)c3)nn2)CC1)c1ccccc1,PYPGXKPHBUIPLO-UHFFFAOYSA-N
32983
+ rxn:1:59751:3345,CCC(C(=O)N1CCC(n2cc(C(=O)N3CCN(c4ccc(F)cc4)CC3)nn2)CC1)c1ccccc1,NONIHCIDXYBSPZ-UHFFFAOYSA-N
32984
+ rxn:1:59772:11160,Cc1cc(F)ccc1S(=O)(=O)N1CCCC(n2cc(CN(C3CC3)S(=O)(=O)c3ccc(Cl)cc3)nn2)C1,NIFMMDNPYDWBEO-UHFFFAOYSA-N
32985
+ rxn:1:59772:32985,Cc1cc(F)ccc1S(=O)(=O)N1CCCC(n2cc(CNC(=O)c3cc(Cl)cc(S(C)(=O)=O)c3)nn2)C1,KLXNEKMONNKVBF-UHFFFAOYSA-N
32986
+ rxn:1:59772:4746,Cc1cc(F)ccc1S(=O)(=O)N1CCCC(n2cc(CS(=O)(=O)CC(=O)N3CCc4ccccc4C3)nn2)C1,DPYFFAWQYIHBLX-UHFFFAOYSA-N
32987
+ rxn:1:59804:25087,CN(C)Cc1cccc(N2CC(c3cn(C4CCN(C(=O)c5ccc(=O)n(C)n5)CC4)nn3)CC2=O)c1,YEOFSKQFQZEOKZ-UHFFFAOYSA-N
32988
+ rxn:1:59808:29376,COc1ccc(C(=O)N2CCC(n3cc(-c4c(C)cccc4C(=O)N4CCC(F)(F)CC4)nn3)CC2)cc1,FSJBGMZSROYAFO-UHFFFAOYSA-N
32989
+ rxn:1:59808:32714,COc1ccc(C(=O)N2CCC(n3cc(CN4C(=O)COc5cc(F)c([N+](=O)[O-])cc54)nn3)CC2)cc1,RUYVLXPGHLBRMU-UHFFFAOYSA-N
32990
+ rxn:1:59808:3570,COc1ccc(C(=O)N2CCC(n3cc(COc4c(C(=O)O)cc([N+](=O)[O-])c(C)c4C)nn3)CC2)cc1,SNJACPQUNWUVDH-UHFFFAOYSA-N
32991
+ rxn:1:59849:23419,CCOc1ccccc1C=C1SC(=O)N(Cc2cn(CC(=O)N3CCCN(C)CC3)nn2)C1=O,BZXRVRUQTQTJGC-UHFFFAOYSA-N
32992
+ rxn:1:59895:5931,CCN1CCN(C(=O)Cn2cc(COc3ncc([N+](=O)[O-])cc3C(F)(F)F)nn2)CC1,GVMHSWCQTYYGCP-UHFFFAOYSA-N
32993
+ rxn:1:60066:11524,Cc1ccc(S(=O)(=O)N2CC3CC(n4cc(CN(c5ccc6c(c5)OCO6)S(=O)(=O)c5cccc(Cl)c5)nn4)(C3)C2)cc1,YOCOLLKVEOHSDY-UHFFFAOYSA-N
32994
+ rxn:1:60066:4015,Cc1ccc(S(=O)(=O)N2CC3CC(n4cc(CN(c5ccc6c(c5)OCO6)S(=O)(=O)c5ccc(F)cc5)nn4)(C3)C2)cc1,DHSJNNJMJHCRJN-UHFFFAOYSA-N
32995
+ rxn:1:60222:33746,CC(=Cc1ccccc1)C(=O)N1CCC(n2cc(-c3ccc(C(=O)NCS(=O)(=O)O)cc3C)nn2)CC1,NLIRYODPGXDAHA-UHFFFAOYSA-N
32996
+ rxn:1:60251:4430,Cc1ccccc1C(=O)Cc1cn(CCCCC(O)=C2C(=O)CC(C)(C)CC2=O)nn1,LDPOQWKPAGHNOT-UHFFFAOYSA-N
32997
+ rxn:1:60291:8736,O=C(c1ccccc1C(F)(F)F)N1CCC(n2cc(CN3C(=O)N(Cc4ccc(F)cc4)S(=O)(=O)c4ccccc43)nn2)CC1,JLJAKIUSIQCYEW-UHFFFAOYSA-N
32998
+ rxn:1:60299:33746,CCSc1ccccc1C(=O)N1CCC(n2cc(-c3ccc(C(=O)NCS(=O)(=O)O)cc3C)nn2)CC1,XIVAAWDCTRKUBS-UHFFFAOYSA-N
32999
+ rxn:1:60305:11160,Cc1cc(F)ccc1S(=O)(=O)N1CCCC1Cn1cc(CN(C2CC2)S(=O)(=O)c2ccc(Cl)cc2)nn1,YGLSHOXLIXVYKA-UHFFFAOYSA-N
33000
+ rxn:1:60308:788,COc1ncccc1C(=O)N1CCC(n2cc(CN3C(=O)SC(=Cc4ccc5c(c4)OCO5)C3=O)nn2)CC1,MUHOCUZDEPRUIT-UHFFFAOYSA-N
33001
+ rxn:1:60315:2275,CCOc1ccc(C(=O)N2CCC(n3cc(CCS(=O)(=O)c4ccc(F)c(C(=O)O)c4)nn3)CC2)cn1,VIAMXPDLSPJOKD-UHFFFAOYSA-N
33002
+ rxn:1:60331:9535,CC1(c2cn(C(C)(C)C3c4ccccc4OCC4=CNNN43)nn2)CN1N1C(=O)c2ccccc2C1=O,NNDDCCKWAUGRPW-UHFFFAOYSA-N
33003
+ rxn:1:60360:26796,COc1ccc(S(=O)(=O)N2CCC(n3cc(C4CC(=O)N(c5cc(C(F)(F)F)ccc5N)C4)nn3)C2)cc1,JINLPHHMVOZPCE-UHFFFAOYSA-N
33004
+ rxn:1:60644:12029,O=C(NCc1ccc2c(c1)OCO2)N1CCC(n2cc(CCCCS(=O)(=O)Cl)nn2)C1,VFJRNYVUELNZTD-UHFFFAOYSA-N
33005
+ rxn:1:60645:23778,O=S1(=O)CCC(c2cn(C3CCN(S(=O)(=O)c4ccc5c(c4)CCO5)C3)nn2)(n2cc(F)cn2)CC1,ZZLOTKHERULHAG-UHFFFAOYSA-N
33006
+ rxn:1:60647:27469,N#Cc1ccc(S(=O)(=O)N2CCC(n3cc(C4CC(=O)N(c5ccc(C(F)(F)F)cn5)C4)nn3)C2)cc1,JZIJEIJRBYDLMQ-UHFFFAOYSA-N
33007
+ rxn:1:60653:3340,CC(=O)c1ccc(S(=O)(=O)N2CCC(n3cc(C(=O)N4CCN(c5ccccc5F)CC4)nn3)C2)cc1,LVKFIGCQKIHHNJ-UHFFFAOYSA-N
33008
+ rxn:1:60844:35498,Cc1cnc(NC(=O)c2ccc(-c3cn(CC(=O)N4CCN(C(=O)C5CC5)CC4)nn3)c(C)c2)c(C)c1,VJQKIOACPHTLRN-UHFFFAOYSA-N
33009
+ rxn:1:60885:33746,COCC1CC(F)(F)CN1CCn1cc(-c2ccc(C(=O)NCS(=O)(=O)O)cc2C)nn1,NQCICIAGPOGBQV-UHFFFAOYSA-N
33010
+ rxn:1:60927:9315,COC1(C(F)(F)F)CN(C(=O)Cn2cc(CN3C(=O)c4ccccc4S3(=O)=O)nn2)C1,VYMTWAUPYKFPOR-UHFFFAOYSA-N
33011
+ rxn:1:60942:32872,CC(=O)N1CC[C@H]1C(=O)Nc1cncc(-c2cn(CC(=O)N3CCC(C)(CF)CC3)nn2)c1,QRULLCCHDYLKTC-IBGZPJMESA-N
33012
+ rxn:1:60942:33516,CN1C(=O)COc2c(C(=O)NCc3cn(CC(=O)N4CCC(C)(CF)CC4)nn3)cc(Cl)cc21,UKQPTBUFCFGFFL-UHFFFAOYSA-N
33013
+ rxn:1:60961:10557,CC1Oc2ccc(C(=O)CS(=O)Cc3cn(CC(=O)N4CCn5c(Cl)cnc5C4)nn3)cc2N(C)C1=O,MNUUZFCQBLURHM-UHFFFAOYSA-N
33014
+ rxn:1:61019:5887,O=C(O)c1cc([N+](=O)[O-])cnc1OCc1cn(CC(=O)N2CCN(CCF)CC2)nn1,RJSWOUWRDDGRFO-UHFFFAOYSA-N
33015
+ rxn:1:61053:11172,O=C1CCC(=CC(=O)Nc2cccc(-c3cn(CC(=O)N4CC(CF)C4)nn3)c2)CC1,DOSVVAPMUWFUII-UHFFFAOYSA-N
33016
+ rxn:1:61094:33634,Cc1ccc(S(=O)(=O)N(C)Cc2cn(CC(=O)N3CCC(C(F)(F)F)CC3)nn2)cc1,ZTVCDOKPDYFBHE-UHFFFAOYSA-N
33017
+ rxn:1:61102:11166,CN(C)c1ccc(C=C2SC(=O)N(Cc3cn(CC(=O)N4CCC(CCF)CC4)nn3)C2=O)cc1,YRCVMBHMJUKETD-UHFFFAOYSA-N
33018
+ rxn:1:61113:25615,Cc1ccc([N+](=O)[O-])c(N2CC(c3cn(CC(=O)N4CCC(F)CC4)nn3)CC2=O)n1,TWYCSXONOKMDJD-UHFFFAOYSA-N
33019
+ rxn:1:61158:38541,COc1cccc(C(=O)N2CC(n3cc(CN4CCC(N5c6ccccc6N(C)S5(=O)=O)CC4)nn3)C2)c1,RKOKKSVBNGSJNI-UHFFFAOYSA-N
33020
+ rxn:1:61175:39521,CC(=O)NC1=C(n2cc(CN3CCN(C(C)=O)CC3)nn2)C(=O)c2ccccc2C1=O,GIEHRCMYZYGELL-UHFFFAOYSA-N
33021
+ rxn:1:61175:8130,CC(=O)NC1=C(n2cc(C(=O)N3CCC(c4cc(O)nc(C)n4)CC3)nn2)C(=O)c2ccccc2C1=O,YVGPZJIBGCGUCV-UHFFFAOYSA-N
33022
+ rxn:1:61178:9904,CC(=O)N1CCC(N(C)Cc2cn(C3CN(C(=O)c4cc(C)cc(C)c4)C3)nn2)CC1,HVCNDESCVMETQB-UHFFFAOYSA-N
33023
+ rxn:1:61439:12259,CCN1CCN(C(=O)c2ccc(Cn3cc(C(=O)N4CC(C(=O)O)C4)nn3)o2)CC1,ZLWRROUUTWICBR-UHFFFAOYSA-N
33024
+ rxn:1:61444:25078,CN(C)C(=O)c1cccc(N2CC(c3cn(Cc4ccc(C(=O)N[C@H]5CONC5=O)o4)nn3)CC2=O)c1,RFTHHYSCADEUJO-FUBQLUNQSA-N
33025
+ rxn:1:61448:35532,CCN1CCC(C(=O)Nc2ncc(Br)cc2-c2cn(Cc3ccc(C(=O)N4CCC(=O)C4)o3)nn2)CC1,KILANCHIPOZRAN-UHFFFAOYSA-N
33026
+ rxn:1:61538:24867,CC(=O)C=C(C)N1CC(c2cn(CC(=O)N3CCN(c4ccc(F)cc4)CC3)nn2)CC1=O,JUEXEVKAFWXJDC-UHFFFAOYSA-N
33027
+ rxn:1:61738:9591,CN(C)C(=O)C1(n2cc(COc3ccc(C=C4C(=O)NC(=S)NC4=O)cc3Cl)nn2)CCC1,RGNBEZOMKYBJHM-UHFFFAOYSA-N
33028
+ rxn:1:61752:24360,CN1CCN(c2ccc(-n3cc(CC(C(=O)O)N4CC(=O)CC4=O)nn3)cc2[N+](=O)[O-])CC1,WBFVDTRNUOXKTR-UHFFFAOYSA-N
33029
+ rxn:1:61868:27920,COc1ccc(Br)cc1C=C1SC(=O)N(Cc2cn(CC(C)(C)C(=O)N3CCNCC3)nn2)C1=O,LGCKTZCZDKBNSA-UHFFFAOYSA-N
33030
+ rxn:1:61888:26254,Cc1ccc(S(=O)(=O)N2CC3(n4cc(C5CC(=O)N(Cc6ccc(C(F)(F)F)cc6)C5)nn4)CC2C3)cc1,FEYQSOHAVAHNAT-UHFFFAOYSA-N
33031
+ rxn:1:61888:27200,Cc1ccc(S(=O)(=O)N2CC3(n4cc(C5CC(=O)N(c6ccc(C(F)(F)F)cc6)C5)nn4)CC2C3)cc1,VMAYPMYQWNFGCG-UHFFFAOYSA-N
33032
+ rxn:1:61902:24648,CCC(C(=O)Nc1cc(Cl)ccc1C)n1cc(C2CC(=O)N(C(CCO)C(=O)O)C2)nn1,VWJJWVASHXQQHZ-UHFFFAOYSA-N
33033
+ rxn:1:61913:13621,CN1CCC(n2cc(CN3C(=O)SC(=Cc4cn(CC(=O)O)c5ccccc45)C3=O)nn2)CC1,CPMPPRUWLUWLQY-UHFFFAOYSA-N
33034
+ rxn:1:61943:24648,O=C(NCC(F)(F)F)c1ccc(-n2cc(C3CC(=O)N(C(CCO)C(=O)O)C3)nn2)cc1,TVONGQIYGIOBCE-UHFFFAOYSA-N
33035
+ rxn:1:61943:24657,O=C(NCC(F)(F)F)c1ccc(-n2cc(C3CC(=O)N(C(CS)C(=O)O)C3)nn2)cc1,BWNIJJSNJXWXBR-UHFFFAOYSA-N
33036
+ rxn:1:61983:26844,Nc1cc(S(=O)(=O)O)ccc1N1CC(c2cn(-c3ccc(C(=O)N4CCOCC4)c(C(F)(F)F)c3)nn2)CC1=O,CAFQJBLQTOADJV-UHFFFAOYSA-N
33037
+ rxn:1:62093:10557,CC1Oc2ccc(C(=O)CS(=O)Cc3cn(CCCCS(=O)Cl)nn3)cc2N(C)C1=O,ZQSSLGHXYWBFRC-UHFFFAOYSA-N
33038
+ rxn:1:62120:8766,CN1CC[N+](C)=C1n1cc(COc2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)nn1,NTLSCMKXDSKCJN-UHFFFAOYSA-O
33039
+ rxn:1:62217:27623,CCc1cc(Br)ccc1S(=O)(=O)n1cc(C(C)(C)N2CC(CS(=O)(=O)F)CC2=O)nn1,MDBRHYGFEZFOCT-UHFFFAOYSA-N
33040
+ rxn:1:62683:2486,CC(c1ccc(Br)cc1)N1CC(Cn2cc(C(C)(C)N3CCS(=O)(=O)CC3)nn2)CC1=O,SONHWEBUWRAVFL-UHFFFAOYSA-N
33041
+ rxn:1:62701:5017,Cc1cc(C)cc(C(C)N2CC(Cn3cc(CN4C(=O)COc5ccc(Cl)cc5C4=O)nn3)CC2=O)c1,GKGNLUJXRUOIQW-UHFFFAOYSA-N
33042
+ rxn:1:62750:6153,C[C@@H](c1ccc(Br)cc1)N1CC(Cn2cc(CCN3CCS(=O)(=O)CC3)nn2)CC1=O,PNYOPLBYPJQQJU-BHWOMJMDSA-N
33043
+ rxn:1:62762:7882,Cc1cc(C)cc(C(C(=O)O)N2CC(Cn3cc(C(=O)N4CCN(c5cc(C)c6ccccc6n5)CC4)nn3)CC2=O)c1,PXONWGJKSKNGIJ-UHFFFAOYSA-N
33044
+ rxn:1:62772:9573,N[C@@H](CO)C(=O)Nc1cccc(-c2cn(CC3CC(=O)N(C(C(=O)O)c4ccc(F)cc4F)C3)nn2)c1,DSDYKQDWNCMXMR-FHEZXUBASA-N
33045
+ rxn:1:62846:39645,C=C1N=CC=C(N2CC(Cn3cc(CCCS(=O)(=O)F)nn3)CC2=O)N1,NEAVUTJCTMFZJS-UHFFFAOYSA-N
33046
+ rxn:1:62978:6334,CC(=O)c1cccc(N2CC(Cn3cc(CCC4NC(=O)CN(C)C4=O)nn3)CC2=O)c1,YSDBGYKEUCZDAP-UHFFFAOYSA-N
33047
+ rxn:1:63066:31349,CN(C)C(=O)c1cccc(N2CC(Cn3cc(CN4C(=O)CSC4=O)nn3)CC2=O)c1,OAZACKPXCBXVTG-UHFFFAOYSA-N
33048
+ rxn:1:63095:2505,CNC(=O)c1cccc(N2CC(Cn3cc(C(=O)N4CCS(=O)(=O)CC4)nn3)CC2=O)c1,DSIUKZKJQPRREV-UHFFFAOYSA-N
33049
+ rxn:1:63277:32202,COc1cc(Br)c(N2CC(Cn3cc(C4=NC(=O)CC=C4)nn3)CC2=O)c([N+](=O)[O-])c1,QWIDGSNESXIERK-UHFFFAOYSA-N
33050
+ rxn:1:63277:39645,COc1cc(Br)c(N2CC(Cn3cc(CCCS(=O)(=O)F)nn3)CC2=O)c([N+](=O)[O-])c1,HAYNNPKIDPCLJV-UHFFFAOYSA-N
33051
+ rxn:1:63370:24908,CC(=O)c1ccc(N2CC(c3cn(CC4CC(=O)N(c5ccccc5P(C)(C)=O)C4)nn3)CC2=O)cc1,ALXFJUUHXGDXIK-UHFFFAOYSA-N
33052
+ rxn:1:63376:12029,CS(=O)(=O)c1ccc(F)c(N2CC(Cn3cc(CCCCS(=O)(=O)Cl)nn3)CC2=O)c1,JMZRDSBOJSRJEL-UHFFFAOYSA-N
33053
+ rxn:1:63376:7880,CS(=O)(=O)c1ccc(F)c(N2CC(Cn3cc(C(=O)N4CCN(c5ncccn5)CC4)nn3)CC2=O)c1,TUCOJKWZFWKXJQ-UHFFFAOYSA-N
33054
+ rxn:1:63439:9458,Cc1cc(C)c([N+](=O)[O-])cc1N1CC(Cn2cc(COC(=O)N3CCC(=O)CC3)nn2)CC1=O,IFFXARPKUIIHQF-UHFFFAOYSA-N
33055
+ rxn:1:63517:1870,Cc1ccc([N+](=O)[O-])c(N2CC(Cn3cc(CN4C(=O)CN(C)C4=O)nn3)CC2=O)c1C,VVHPKBWUDYBUCQ-UHFFFAOYSA-N
33056
+ rxn:1:63726:2486,Cc1cc(Cl)cc(N2CC(Cn3cc(C(C)(C)N4CCS(=O)(=O)CC4)nn3)CC2=O)c1,ISVJSHYMHDLTNT-UHFFFAOYSA-N
33057
+ rxn:1:63799:18886,Cc1cccc(N2CC(Cn3cc(CCN4CCN(S(C)(=O)=O)CC4)nn3)CC2=O)c1,AHFWNBSZTMBGQE-UHFFFAOYSA-N
33058
+ rxn:1:64125:11524,O=C1CC(Cn2cc(CN(c3ccc4c(c3)OCO4)S(=O)(=O)c3cccc(Cl)c3)nn2)CN1CS(=O)(=O)O,UQTXZJSNOLOCRP-UHFFFAOYSA-N
33059
+ rxn:1:64160:29511,O=C1NC2(C(=O)N1Cc1cn(CCS(=O)(=O)Cl)nn1)C(=O)N(Cc1c(F)cccc1Cl)c1ccccc12,USACLWKTFJGLHE-UHFFFAOYSA-N
33060
+ rxn:1:64411:33381,COc1ccc(C=C2SC(=O)N(Cc3cn(CCN4CCNC4=O)nn3)C2=O)cc1I,DAKBDWKEDUFPPL-UHFFFAOYSA-N
33061
+ rxn:1:64538:12029,O=C1CC(Cn2cc(CCCCS(=O)(=O)Cl)nn2)CN1c1cc(S(=O)(=O)O)ccc1O,WMPANZPMHXWDCX-UHFFFAOYSA-N
33062
+ rxn:1:64703:10540,O=C1CC(Cn2cc(CN3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)nn2)CN1c1ccc(S(=O)(=O)O)cc1,YGDANPNDFVNTDD-UHFFFAOYSA-N
33063
+ rxn:1:64703:26381,O=C1CC(Cn2cc(C3CC(=O)N(c4cc(F)c(Br)cc4Cl)C3)nn2)CN1c1ccc(S(=O)(=O)O)cc1,DODQCEQKVORSSU-UHFFFAOYSA-N
33064
+ rxn:1:64711:11166,CN(C)c1ccc(C=C2SC(=O)N(Cc3cn(CC4CC(=O)N(c5ccc(F)nc5)C4)nn3)C2=O)cc1,IRTLODLJTIGFDM-UHFFFAOYSA-N
33065
+ rxn:1:64841:24588,C[C@@H](c1ccc(Br)cc1)N1CC(c2cn(CC3CC(=O)N(c4cc(S(=O)(=O)O)ccc4N)C3)nn2)CC1=O,XUIRBZVTZVTLJY-HJOIGYKYSA-N
33066
+ rxn:1:64842:15968,CCCC(=O)N=c1sc2cccc(Cl)c2n1Cc1cn(CC2CC(=O)N(c3ccc(S(=O)(=O)O)cc3N)C2)nn1,NJLQHNALKJSQFT-UHFFFAOYSA-N
33067
+ rxn:1:64842:32714,Nc1cc(S(=O)(=O)O)ccc1N1CC(Cn2cc(CN3C(=O)COc4cc(F)c([N+](=O)[O-])cc43)nn2)CC1=O,WBJFINXLNOTZPV-UHFFFAOYSA-N
33068
+ rxn:1:64944:38952,O=C1CC(Cn2cc(-c3ccc(S(=O)(=O)N4CCNCC4)cc3)nn2)CN1c1cc(C(F)(F)F)c(Br)cn1,LAFYPIRKPQFFSZ-UHFFFAOYSA-N
33069
+ rxn:1:65195:26714,O=C1CC(c2cn(CC3CC(=O)N(c4cc(F)cc(F)c4Br)C3)nn2)CN1c1ccc(S(=O)(=O)O)cc1,OUCGLFCCRLRLHP-UHFFFAOYSA-N
33070
+ rxn:1:6561:59715,O=C(c1ccc([N+](=O)[O-])o1)N1CCC(n2cc(CCC(F)(C(=O)O)C(=O)O)nn2)CC1,DNGNUYPDWWDGOY-UHFFFAOYSA-N
33071
+ rxn:1:6667:59772,Cc1cc(F)ccc1S(=O)(=O)N1CCCC(n2cc(Cn3nc4c(c3CCl)CS(=O)(=O)CC4)nn2)C1,YWCXTCCUMCRFRV-UHFFFAOYSA-N
33072
+ rxn:1:7027:59755,N#Cc1ccc(S(=O)(=O)N2CCCC(n3cc(CC(CBr)CC(F)(F)F)nn3)C2)cc1,JLCIIPOBOKGAOP-UHFFFAOYSA-N
33073
+ rxn:1:8078:58279,Cc1cc(CCCn2cc(C(=O)N3CC(C(=O)N4CCN(C)CC4)C3)nn2)cc([N+](=O)[O-])c1,PLVRJJCPJFUELA-UHFFFAOYSA-N