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1
urdof7 commited on
Commit
4aa238e
·
verified ·
1 Parent(s): 09c3ca5

Added 300 molecules from epoch 17437 for O15379

Browse files
Files changed (1) hide show
  1. O15379_molecules.csv +300 -0
O15379_molecules.csv CHANGED
@@ -30210,3 +30210,303 @@ rxn:3:64276:7049:84946,O=C1CC(Cn2cc(-c3cccnc3N3CCCCCC3)nn2)CN1[C@H]1CC[C@@H](C(=
30210
  rxn:3:64954:29726:151783,O=C(Nc1ccc(OS(=O)(=O)F)c2ccccc12)c1cnc(N2CC(Cn3cc(C4=CCCCCCCCCCC4)nn3)CC2=O)cn1,BUIXCCKUSXYPJG-UHFFFAOYSA-N
30211
  rxn:3:6504:59852:127917,C=Cc1cnn(Cc2cn([C@@H]3C=CC[C@@H](C(=O)N4CCOC(C(=O)NCC(F)(F)OC)C4)C3)nn2)c1,IMVVFHOSBPTIRX-RIBPFEIKSA-N
30212
  rxn:3:82:62824:73149,CC(F)(c1cn(CC2CC(=O)N([C@@H](C(=O)NC[Si](C)(C)C)C3=CCC=CC3)C2)nn1)C1CCC1,DWNXJIMWYXZLRB-ZOQSAPLSSA-N
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
30210
  rxn:3:64954:29726:151783,O=C(Nc1ccc(OS(=O)(=O)F)c2ccccc12)c1cnc(N2CC(Cn3cc(C4=CCCCCCCCCCC4)nn3)CC2=O)cn1,BUIXCCKUSXYPJG-UHFFFAOYSA-N
30211
  rxn:3:6504:59852:127917,C=Cc1cnn(Cc2cn([C@@H]3C=CC[C@@H](C(=O)N4CCOC(C(=O)NCC(F)(F)OC)C4)C3)nn2)c1,IMVVFHOSBPTIRX-RIBPFEIKSA-N
30212
  rxn:3:82:62824:73149,CC(F)(c1cn(CC2CC(=O)N([C@@H](C(=O)NC[Si](C)(C)C)C3=CCC=CC3)C2)nn1)C1CCC1,DWNXJIMWYXZLRB-ZOQSAPLSSA-N
30213
+ rxn:1:10394:60979,CC1CCC2c3c(SCc4cn(CC(=O)N5CCCC(C(C)(F)F)C5)nn4)ncnc3SC2C1,MEAMSFUOKQVJQS-UHFFFAOYSA-N
30214
+ rxn:1:1072:54776,O=C(CC1CCSCC1)NCc1cn(CCC2C(c3cnc(N4CCCC4)nc3)C2(F)F)nn1,PNHMYUSJHHPGAI-UHFFFAOYSA-N
30215
+ rxn:1:10967:62052,N=c1c2nc(-n3cc(CN(C4CCCCC4)S(=O)(=O)c4ccccc4)nn3)n3c2ncn1C1OC(COP(=O)(O)OP(=O)(O)OCC2OC3C(O)C2O)C(O)C1O,JJTNTUHPKKOPDW-UHFFFAOYSA-N
30216
+ rxn:1:11167:60863,COCC1CN(CCn2cc(CN(C(C)C)S(=O)(=O)c3cccs3)nn2)CC12CCC2,AVJJVVPGUPXKKU-UHFFFAOYSA-N
30217
+ rxn:1:12249:57137,CC(=O)NC1C(O)C(O)C(CO)OC1n1cc(C(N)C2CCC(F)(F)CC2)nn1,YACSIUFNIAEOEV-UHFFFAOYSA-N
30218
+ rxn:1:12846:59596,CC1(C)OB(C(F)=C2COCC2n2cc(-c3ccc(C(=O)OCc4nccs4)cc3)nn2)OC1(C)C,VGVUWZPDMYKONO-UHFFFAOYSA-N
30219
+ rxn:1:13588:54313,CC1CC(OC(=O)c2cccc(-c3cn(CCC4C(c5n[nH]c6nc[nH]c(=O)c56)C4(F)F)nn3)c2)CC(C)(C)C1,SNJXKWIGRKWSDO-UHFFFAOYSA-N
30220
+ rxn:1:13703:54313,CC1CC(OC(=O)c2ccc(-c3cn(CCC4C(c5n[nH]c6nc[nH]c(=O)c56)C4(F)F)nn3)cc2)CC(C)(C)C1,CZSRZACPHRFCRA-UHFFFAOYSA-N
30221
+ rxn:1:13895:65339,CCCCC[C@H]1CC[C@@H](c2cn(CC3CC(=O)N(c4cccc(Oc5ncc(Br)cn5)c4)C3)nn2)CC1,LYYFDACXHCYXGE-BXAJPXNSSA-N
30222
+ rxn:1:14073:59596,CC1(C)OB(C(F)=C2COCC2n2cc(-c3cccc(NC(=O)C4CCNC4)c3)nn2)OC1(C)C,CHNZJHBXIGFLAO-UHFFFAOYSA-N
30223
+ rxn:1:14208:59596,CC1(C)OB(C(F)=C2COCC2n2cc(-c3ccc(NC(=O)NC4CC4)cc3)nn2)OC1(C)C,MUUDLSYKXACARJ-UHFFFAOYSA-N
30224
+ rxn:1:1494:44774,CS(=O)(=O)N(Cc1cn(CCC#Cc2cncc([N+](=O)[O-])c2Cl)nn1)C1CCCCC1,OGAITEXYQLBRMJ-UHFFFAOYSA-N
30225
+ rxn:1:16857:49355,CCS(=O)(=O)c1ccc(-n2ncc(-c3cn([C@@H]4CCC[C@H]4N4CCCN(C)CC4)nn3)c2C2CCC2)cc1,WJWYYGFDWJVEIK-KAYWLYCHSA-N
30226
+ rxn:1:16860:59887,CC(C)(C)OC(=O)N1CCC(=Cn2cc(-c3cnn(CCF)c3C3CCC3)nn2)CC1,SUGOKKMLHQPARX-UHFFFAOYSA-N
30227
+ rxn:1:1878:62271,O=c1[nH]cc(Br)cc1-c1cn(-c2nc3c4ncnc3n2C2OC(COP(=O)(OP(=O)(O)O)OCC3OC(N4)C(O)C3O)C(O)C2O)nn1,WVADMHHBDPPPST-UHFFFAOYSA-N
30228
+ rxn:1:21528:62271,Cn1cnc(S(=O)(=O)Nc2cccc(-c3cn(-c4nc5c6ncnc5n4C4OC(COP(=O)(OP(=O)(O)O)OCC5OC(N6)C(O)C5O)C(O)C4O)nn3)c2)c1,NRDHHQNMSCGFIL-UHFFFAOYSA-N
30229
+ rxn:1:22276:62271,CS(=O)(=O)c1cnn(-c2ccc(-c3cn(-c4nc5c6ncnc5n4C4OC(COP(=O)(OP(=O)(O)O)OCC5OC(N6)C(O)C5O)C(O)C4O)nn3)cc2)c1,OKPOZGXBTSLDBY-UHFFFAOYSA-N
30230
+ rxn:1:22840:57137,CC(=O)NC1C(O)C(O)C(CO)OC1n1cc(-c2cncc(-n3nc(C4CCCC4)c(Br)c3I)c2)nn1,FHSDFAYIASIDIG-UHFFFAOYSA-N
30231
+ rxn:1:22913:62287,CC(C)(C)OC(=O)NC1COCCC1n1cc(-c2cncc(-n3nc(C4CNC4)c(Br)c3Cl)c2)nn1,HMGKMWQJCBMEHL-UHFFFAOYSA-N
30232
+ rxn:1:22915:62287,CC(C)(C)OC(=O)NC1COCCC1n1cc(-c2cncc(-n3nc(C4CNC4)c(I)c3Cl)c2)nn1,PKURDVGQHAYPRD-UHFFFAOYSA-N
30233
+ rxn:1:22917:62287,CC(C)(C)OC(=O)NC1COCCC1n1cc(-c2cncc(-n3nc(C4CNC4)c(Br)c3Br)c2)nn1,JCUUQXWHTVJCHX-UHFFFAOYSA-N
30234
+ rxn:1:22918:62287,CC(C)(C)OC(=O)NC1COCCC1n1cc(-c2cncc(-n3nc(C4CNC4)c(Cl)c3Br)c2)nn1,HFDZUHFHQZDTPY-UHFFFAOYSA-N
30235
+ rxn:1:22919:62188,CC(C)(C)OC(=O)N1CC2CC(Cn3cc(-c4cncc(-n5nc(C6CNC6)c(I)c5Br)c4)nn3)CC2C1,BCHLPDZKVTXSNJ-UHFFFAOYSA-N
30236
+ rxn:1:22922:62287,CC(C)(C)OC(=O)NC1COCCC1n1cc(-c2cncc(-n3nc(C4CNC4)c(Cl)c3I)c2)nn1,QEPFKRXBJMNLOM-UHFFFAOYSA-N
30237
+ rxn:1:22923:62287,CC(C)(C)OC(=O)NC1COCCC1n1cc(-c2cncc(-n3nc(C4CNC4)c(I)c3I)c2)nn1,WCZXJEFZHGQYRP-UHFFFAOYSA-N
30238
+ rxn:1:23364:54329,O=C(NCc1cn(CCC2C(c3ccc4[nH]c(=O)[nH]c4c3)C2(F)F)nn1)C1CCN(c2c3c(nc4ncnn24)CCC3)CC1,ZPHKCALKAFKFDR-UHFFFAOYSA-N
30239
+ rxn:1:23796:45132,COCCOc1ccc(-n2cc(C3(n4cc(B5OC(C)(C)C(C)(C)O5)cn4)CCNCC3)nn2)cc1,XMSOBKJEASEGRV-UHFFFAOYSA-N
30240
+ rxn:1:24961:44664,CCN1CCC(CCN2CC(c3cn(CCC#Cc4ccc5nc(Cl)sc5c4)nn3)CC2=O)CC1,SMYXNIIADXKGKD-UHFFFAOYSA-N
30241
+ rxn:1:27409:59596,CC1(C)OB(C(F)=C2COCC2n2cc(C3CC(=O)N(c4nc(C5CC5)cs4)C3)nn2)OC1(C)C,WAHAPCJXWVCILD-UHFFFAOYSA-N
30242
+ rxn:1:28350:59597,COC(=O)C1CCC(c2cn(-c3ccc(C(C)=C(F)B4OC(C)(C)C(C)(C)O4)cc3)nn2)N1,HGSLTHSYJIWTLB-UHFFFAOYSA-N
30243
+ rxn:1:29057:61246,CC1(C)OB(C(F)=CCC(c2cn(C3CN(C(=O)c4cnc[nH]4)C3)nn2)C2CC2)OC1(C)C,IUESKENLCIDTER-UHFFFAOYSA-N
30244
+ rxn:1:29968:61587,O=C1NCCCN(Cc2nccs2)CCOc2ccccc2[C@H]2C[C@@H]1CN(C(=O)c1cn(C(CBr)C3CCCC3)nn1)C2,LLFXSNPLMUPCCK-RWIDKHAYSA-N
30245
+ rxn:1:30002:60379,O=C1NCCCN(Cc2ncccn2)CCOc2ccccc2[C@H]2C[C@@H]1CN(C(=O)c1cn(CC3(F)CCNC3)nn1)C2,PLSDIMBHLVMQMP-RRSSYJFLSA-N
30246
+ rxn:1:30006:43339,O=C1NCCCN(Cc2ccncc2F)CCOc2ccccc2[C@H]2C[C@@H]1CN(C(=O)c1cn(Cc3nc4c(c(=O)[nH]3)COCC4)nn1)C2,RJUVSTYXJKRYDJ-BJKOFHAPSA-N
30247
+ rxn:1:30006:61266,O=C1NCCCN(Cc2ccncc2F)CCOc2ccccc2[C@H]2C[C@@H]1CN(C(=O)c1cn(C3CN(C4CCSCC4)C3)nn1)C2,ALPLPMDVJIQAFJ-IZZNHLLZSA-N
30248
+ rxn:1:30030:43339,O=C1NCCCN(Cc2ccc(Cl)cn2)CCOc2ccccc2[C@H]2C[C@@H]1CN(C(=O)c1cn(Cc3nc4c(c(=O)[nH]3)COCC4)nn1)C2,NPKULVDZTWKHLO-XZOQPEGZSA-N
30249
+ rxn:1:30030:61266,O=C1NCCCN(Cc2ccc(Cl)cn2)CCOc2ccccc2[C@H]2C[C@@H]1CN(C(=O)c1cn(C3CN(C4CCSCC4)C3)nn1)C2,JBFRVQVSZDCKHM-LOSJGSFVSA-N
30250
+ rxn:1:30030:61268,O=C1NCCCN(Cc2ccc(Cl)cn2)CCOc2ccccc2[C@H]2C[C@@H]1CN(C(=O)c1cn(C3CN(C4CCC4)C3)nn1)C2,PTKYSKHEQWEECI-BJKOFHAPSA-N
30251
+ rxn:1:30030:62037,O=C1NCCCN(Cc2ccc(Cl)cn2)CCOc2ccccc2[C@H]2C[C@@H]1CN(C(=O)c1cn(C3CCSCC3)nn1)C2,OPCOBSQZNKNQGC-XZOQPEGZSA-N
30252
+ rxn:1:30031:43339,O=C1NCCCN(Cc2ccc(F)cn2)CCOc2ccccc2[C@H]2C[C@@H]1CN(C(=O)c1cn(Cc3nc4c(c(=O)[nH]3)COCC4)nn1)C2,QHTIFWQMAPFREP-XZOQPEGZSA-N
30253
+ rxn:1:30031:61266,O=C1NCCCN(Cc2ccc(F)cn2)CCOc2ccccc2[C@H]2C[C@@H]1CN(C(=O)c1cn(C3CN(C4CCSCC4)C3)nn1)C2,ZXCZNKXSOVYKAK-LOSJGSFVSA-N
30254
+ rxn:1:30032:43339,O=C1NCCCN(Cc2ncccc2F)CCOc2ccccc2[C@H]2C[C@@H]1CN(C(=O)c1cn(Cc3nc4c(c(=O)[nH]3)COCC4)nn1)C2,FCZULYGMBCMSTM-XZOQPEGZSA-N
30255
+ rxn:1:30032:61268,O=C1NCCCN(Cc2ncccc2F)CCOc2ccccc2[C@H]2C[C@@H]1CN(C(=O)c1cn(C3CN(C4CCC4)C3)nn1)C2,NXJHXNQAXIBTBQ-BJKOFHAPSA-N
30256
+ rxn:1:30262:52002,C=C(Cn1cc(C(=O)N2CC[C@H]3C[C@@H]2C(=O)NCCN(C(=O)C2CC(F)(F)C2)CCCOc2ccccc23)nn1)C1CCOCC1,JSVUFXBGCJHGNG-RBJSKKJNSA-N
30257
+ rxn:1:30998:59355,CC(C)(C)OC(=O)N1CCO[C@]2(C1)C[C@H](c1cn(CCCCc3c[nH]c4ncc(Br)cc34)nn1)C2,CKHHWWMNDMCCOQ-HMRCJKRNSA-N
30258
+ rxn:1:3102:54329,CCOC(=O)C1(Cc2cn(CCC3C(c4ccc5[nH]c(=O)[nH]c5c4)C3(F)F)nn2)CCNCC1,IFZOXATUSZPUNE-UHFFFAOYSA-N
30259
+ rxn:1:31138:62052,N=c1c2nc(-n3cc(-c4nnc(Br)s4)nn3)n3c2ncn1C1OC(COP(=O)(O)OP(=O)(O)OCC2OC3C(O)C2O)C(O)C1O,KHAKWDMVXXSZOM-UHFFFAOYSA-N
30260
+ rxn:1:31330:62271,O=c1[nH]nc(Cl)cc1-c1cn(-c2nc3c4ncnc3n2C2OC(COP(=O)(OP(=O)(O)O)OCC3OC(N4)C(O)C3O)C(O)C2O)nn1,RDOLLIVNQKCYMV-UHFFFAOYSA-N
30261
+ rxn:1:31426:51215,O=C(O)c1cnc(N2CCC3(CCN(Cc4cn(CC5C(c6ccc(-c7cc[nH]n7)cc6)C5(F)F)nn4)CC3)CC2)nc1,NYKSFJHLRBDJAN-UHFFFAOYSA-N
30262
+ rxn:1:31426:51216,O=C(O)c1cnc(N2CCC3(CCN(Cc4cn(CC5C(c6ccc(-c7c[nH]cn7)cc6)C5(F)F)nn4)CC3)CC2)nc1,HPLYISDOTVXDDM-UHFFFAOYSA-N
30263
+ rxn:1:31447:62271,CS(=O)(=O)c1cncc(-c2cn(-c3nc4c5ncnc4n3C3OC(COP(=O)(OP(=O)(O)O)OCC4OC(N5)C(O)C4O)C(O)C3O)nn2)c1,BGPBOCPCDHMKJN-UHFFFAOYSA-N
30264
+ rxn:1:31640:65411,COCOc1cc(B2OC(C)(C)C(C)(C)O2)c2c(-c3cn(CC4CC(=O)N(c5cnns5)C4)nn3)cccc2c1,MEHNSEGUQOUYAQ-UHFFFAOYSA-N
30265
+ rxn:1:31856:62271,CC1(c2cn(-c3nc4c5ncnc4n3C3OC(COP(=O)(OP(=O)(O)O)OCC4OC(N5)C(O)C4O)C(O)C3O)nn2)OC(=O)N(S(C)(=O)=O)c2ccccc21,DIKGOWWKFVSBSA-UHFFFAOYSA-N
30266
+ rxn:1:31999:62346,CC1(C)OB(c2cncnc2-c2cn(C3CNC4(C3)CN(C(=O)OCc3ccccc3)C4)nn2)OC1(C)C,NGUJDZORZAPESR-UHFFFAOYSA-N
30267
+ rxn:1:33319:49623,Cc1ccc(C(=O)N2CC(N3CC(N(C)C)C3)C2)cc1-c1cn(CC2C(c3c(C)n[nH]c3C)C2(F)F)nn1,GHUOVHXLQMULFJ-UHFFFAOYSA-N
30268
+ rxn:1:33319:49710,Cc1ccc(C(=O)N2CC(N3CC(N(C)C)C3)C2)cc1-c1cn(CC2C(c3c[nH]nc3C#N)C2(F)F)nn1,PASPWBNIXLVOGJ-UHFFFAOYSA-N
30269
+ rxn:1:33319:53328,Cc1ccc(C(=O)N2CC(N3CC(N(C)C)C3)C2)cc1-c1cn(CCC2C(c3ncc[nH]3)C2(F)F)nn1,IIEUBTBDWFVODK-UHFFFAOYSA-N
30270
+ rxn:1:33319:53357,Cc1ccc(C(=O)N2CC(N3CC(N(C)C)C3)C2)cc1-c1cn(CCC2C(c3cncnc3)C2(F)F)nn1,HLVBITGLOVLZOD-UHFFFAOYSA-N
30271
+ rxn:1:33319:55411,Cc1ccc(C(=O)N2CC(N3CC(N(C)C)C3)C2)cc1-c1cn(CC2CC2c2c(C)ccnc2Cl)nn1,KEWHNBUPWYWOLB-UHFFFAOYSA-N
30272
+ rxn:1:33742:49356,CC(C(=O)Nc1cncc(-c2cn([C@@H]3COC[C@H]3N3CCCN(C)CC3)nn2)c1)C(F)(F)F,GQBIRUBMFGPILR-JDBFWQQPSA-N
30273
+ rxn:1:33772:53423,CC(C)(C)[C@H]1CC[C@H](C(=O)Nc2ccc(-c3cn(CCC4C(c5cncnc5Cl)C4(F)F)nn3)nc2)CC1,YPTRYJCNBUEILS-KKEUMFBDSA-N
30274
+ rxn:1:33772:54288,CC(C)(C)[C@H]1CC[C@H](C(=O)Nc2ccc(-c3cn(CCC4C(c5cnc6nc[nH]c6c5)C4(F)F)nn3)nc2)CC1,XLNGNUXGGVHOGK-PAYJEQIWSA-N
30275
+ rxn:1:33772:54292,CC(C)(C)[C@H]1CC[C@H](C(=O)Nc2ccc(-c3cn(CCC4C(c5n[nH]c6ncccc56)C4(F)F)nn3)nc2)CC1,URXPPOZDEDFIQD-VCUMQWCCSA-N
30276
+ rxn:1:3713:54289,CC(C)(C)OC(=O)N1CCC(c2cn(CCC3C(c4cnc5cn[nH]c5c4)C3(F)F)nn2)C12CC2,QGMJPKJTXSKHNX-UHFFFAOYSA-N
30277
+ rxn:1:3713:54777,CC(C)(C)OC(=O)N1CCC(c2cn(CCC3C(c4ccc(-n5cncn5)cc4)C3(F)F)nn2)C12CC2,PRKOSEBCHWLRIX-UHFFFAOYSA-N
30278
+ rxn:1:39928:30261,CN1CCN(CCn2cc(C(=O)N3CC[C@H]4C[C@@H]3C(=O)NCCCN(C(=O)C3CC(F)(F)C3)CCOc3ccccc34)nn2)CC1,WZPDSTYNVFQCHW-WNCULLNHSA-N
30279
+ rxn:1:41475:29090,CC1(C)OB(C(F)=C2CCN(c3cc(-c4cn(CC=Cc5ccc(-c6cc(C(=O)O)[nH]n6)cc5)nn4)ncn3)CC2)OC1(C)C,BBLBZEAUISECMM-UHFFFAOYSA-N
30280
+ rxn:1:42832:31783,CC(C)(C)OC(=O)N1CCC(N2CC(c3cn(CC#Cc4ccc5nc(Cl)sc5c4)nn3)C2)CC1,UNLXYYPQJIOEMX-UHFFFAOYSA-N
30281
+ rxn:1:42837:29090,CC1(C)OB(C(F)=C2CCN(c3cc(-c4cn(CC#Cc5ccc6c(c5)NC(=O)C6)nn4)ncn3)CC2)OC1(C)C,HYKVNCXZASIHBE-UHFFFAOYSA-N
30282
+ rxn:1:43449:29102,CC1(C)OB(C(F)=C2CCCCC2Cc2cn(CC#Cc3ccc4[nH]c(=O)[nH]c(=O)c4c3)nn2)OC1(C)C,MRPARBCKYARKNM-UHFFFAOYSA-N
30283
+ rxn:1:43799:9423,CC1(C)CC(NC(=O)OCc2cn(CCC#Cc3ccsc3Cl)nn2)CC(C)(C)N1,WPJTZUVBAQUXQS-UHFFFAOYSA-N
30284
+ rxn:1:43980:33319,Cc1ccc(C(=O)N2CC(N3CC(N(C)C)C3)C2)cc1-c1cn(CCC#Cc2c(Cl)cccc2Cl)nn1,NCLKIXLEQYJFTO-UHFFFAOYSA-N
30285
+ rxn:1:44643:9864,CC(C)(C)C1CCC2(CC1)CN(Cc1cn(CCC#Cc3ccc4[nH]c(=O)[nH]c4c3)nn1)c1ccc(F)cc1N2,HYZHCVGVNWUCHD-UHFFFAOYSA-N
30286
+ rxn:1:44664:32030,CC(C)(C)OC(=O)C1CCN(C2CCC(c3cn(CCC#Cc4ccc5nc(Cl)sc5c4)nn3)CC2)CC1,XVUVNGLNBUQVLQ-UHFFFAOYSA-N
30287
+ rxn:1:45257:29824,COCCN1C(=O)C(Cl)=C(n2cc(C(=O)N3CC[C@H]4C[C@@H]3C(=O)NCCN(Cc3ncccn3)CCCOc3ccccc34)nn2)C1O,UBHNNGSLAYIIGG-FYYZXSFGSA-N
30288
+ rxn:1:45257:29884,COCCN1C(=O)C(Cl)=C(n2cc(C(=O)N3CC[C@H]4C[C@@H]3C(=O)NCCCN(Cc3ncccn3)CCOc3ccccc34)nn2)C1O,DANIFTBANXSQOB-FYYZXSFGSA-N
30289
+ rxn:1:45302:32030,CC(C)(C)OC(=O)C1CCN(C2CCC(c3cn(CCC#Cc4ccc5ncnc(Cl)c5c4)nn3)CC2)CC1,FXKUYUDGOCQYGO-UHFFFAOYSA-N
30290
+ rxn:1:45748:29071,CC1(C)OB(C(F)=Cc2cc(-c3ccccn3)nn2Cc2cn(CCC=Cc3c[nH]c(C(=O)O)c3)nn2)OC1(C)C,RRQFAKXFGOJKHB-UHFFFAOYSA-N
30291
+ rxn:1:48528:33772,CC(C)(C)[C@H]1CC[C@H](C(=O)Nc2ccc(-c3cn(CCC(O)C(O)c4cnc(F)nc4)nn3)nc2)CC1,WGAPAPXVJBDZDQ-GUUHOFAHSA-N
30292
+ rxn:1:49281:33772,CC(C)(C)[C@H]1CC[C@H](C(=O)Nc2ccc(-c3cn(CCC(O)C(O)c4c[nH]c5ncc(Br)cc45)nn3)nc2)CC1,KRYCYJQJTQEJTO-QMHXDTHHSA-N
30293
+ rxn:1:49355:15484,CCS(=O)(=O)c1ccc(-n2cc(-c3cn([C@@H]4CCC[C@H]4N4CCCN(C)CC4)nn3)c(C3CCCC3)n2)cc1,XJTFBPVFXCDOSZ-VSGBNLITSA-N
30294
+ rxn:1:49433:29884,O=C1NCCCN(Cc2ncccn2)CCOc2ccccc2[C@H]2CCN(C(=O)c3cn(C4(CI)CNC4)nn3)[C@@H]1C2,QMNRWXARQXIVLE-XUZZJYLKSA-N
30295
+ rxn:1:49524:33319,Cc1ccc(C(=O)N2CC(N3CC(N(C)C)C3)C2)cc1-c1cn(CC2C(c3cc[nH]n3)C2(F)F)nn1,XODBSKNHBWAOKF-UHFFFAOYSA-N
30296
+ rxn:1:49526:33319,Cc1ccc(C(=O)N2CC(N3CC(N(C)C)C3)C2)cc1-c1cn(CC2C(c3ncc[nH]3)C2(F)F)nn1,DRFZTKRYTZNDSX-UHFFFAOYSA-N
30297
+ rxn:1:49527:33319,Cc1ccc(C(=O)N2CC(N3CC(N(C)C)C3)C2)cc1-c1cn(CC2C(c3cscn3)C2(F)F)nn1,CDBALJNVKVDIJL-UHFFFAOYSA-N
30298
+ rxn:1:49540:33319,Cc1ccc(C(=O)N2CC(N3CC(N(C)C)C3)C2)cc1-c1cn(CC2C(c3ccsc3Cl)C2(F)F)nn1,IRIAXDWXAUSPIR-UHFFFAOYSA-N
30299
+ rxn:1:49623:33772,Cc1n[nH]c(C)c1C1C(Cn2cc(-c3ccc(NC(=O)[C@H]4CC[C@H](C(C)(C)C)CC4)cn3)nn2)C1(F)F,BXOMJXGSJDTKEI-JUWLJNNVSA-N
30300
+ rxn:1:497:62052,N=c1c2nc(-n3cc(-c4cccnc4Br)nn3)n3c2ncn1C1OC(COP(=O)(O)OP(=O)(O)OCC2OC3C(O)C2O)C(O)C1O,SENNWBGJZKEBFH-UHFFFAOYSA-N
30301
+ rxn:1:50068:33319,Cc1ccc(C(=O)N2CC(N3CC(N(C)C)C3)C2)cc1-c1cn(CC2C(c3cnc(O)cc3C)C2(F)F)nn1,XWJZQQYSIAVJGZ-UHFFFAOYSA-N
30302
+ rxn:1:50433:15496,CCC(O)Cn1cc(-c2cn(CC3C(c4c[nH]c(C(=O)OC)c4)C3(F)F)nn2)c(C2CCCC2)n1,RFYBGXFTGMOHRI-UHFFFAOYSA-N
30303
+ rxn:1:50503:33319,Cc1ccc(C(=O)N2CC(N3CC(N(C)C)C3)C2)cc1-c1cn(CC2C(c3ncnc4[nH]cnc34)C2(F)F)nn1,CWLTZFDKSHDNCZ-UHFFFAOYSA-N
30304
+ rxn:1:50505:18110,COC(=O)N1CCc2nn(C3CCSCC3)c(-c3cn(CC4C(c5cnc6[nH]ccc6c5)C4(F)F)nn3)c2C1,YJVQMADTGPFPKJ-UHFFFAOYSA-N
30305
+ rxn:1:50529:18114,CCOC(=O)N1CCc2nn(C3CCCCC3)c(-c3cn(CC4C(c5cnc6[nH]ncc6c5)C4(F)F)nn3)c2C1,XJZGIFWLLTWKKZ-UHFFFAOYSA-N
30306
+ rxn:1:50536:33319,Cc1ccc(C(=O)N2CC(N3CC(N(C)C)C3)C2)cc1-c1cn(CC2C(c3cnc4cnccn34)C2(F)F)nn1,UFJJNLGDOZOWES-UHFFFAOYSA-N
30307
+ rxn:1:50618:33772,CC(C)(C)[C@H]1CC[C@H](C(=O)Nc2ccc(-c3cn(CC4C(c5c[nH]c6c(Cl)ncnc56)C4(F)F)nn3)nc2)CC1,ZMSRIOHEXAJOLJ-FWCTWAHASA-N
30308
+ rxn:1:50869:13895,CCCCC[C@H]1CC[C@@H](c2cn(CC3C(c4cncc(C(=O)OC)c4)C3(F)F)nn2)CC1,ZXOGHOPFSHOFJH-DCEJCQMCSA-N
30309
+ rxn:1:50869:4208,CCN(CCc1cn(CC2C(c3cncc(C(=O)OC)c3)C2(F)F)nn1)C1CCNCC1,DPPPKIVWZZIEEN-UHFFFAOYSA-N
30310
+ rxn:1:50881:13895,CCCCC[C@H]1CC[C@@H](c2cn(CC3C(c4ccc(C(=O)OC)cn4)C3(F)F)nn2)CC1,HWIJUQDQJVCGLE-YZKRDWPBSA-N
30311
+ rxn:1:50881:15679,CCC(CC)n1cc(-c2cn(CC3C(c4ccc(C(=O)OC)cn4)C3(F)F)nn2)c(C2CCCCC2)n1,FVWGMFIBYYKWJO-UHFFFAOYSA-N
30312
+ rxn:1:51131:16896,CCCc1c(-c2cn(CC3C(c4cnc(C(=O)OC)c(C)c4)C3(F)F)nn2)cnn1C1CCOCC1,LSZHDXRGLYXUCR-UHFFFAOYSA-N
30313
+ rxn:1:51225:33059,Cc1ccc(C(=O)N2CCCC(N(C)C)C2)cc1-c1cn(CC2C(c3csc(N4CCOCC4)n3)C2(F)F)nn1,ALNYPFOPMNKTQN-UHFFFAOYSA-N
30314
+ rxn:1:51225:33655,CCN1CCC(C(=O)Nc2cncc(-c3cn(CC4C(c5csc(N6CCOCC6)n5)C4(F)F)nn3)c2)CC1,HOAXXNQMFGGOBR-UHFFFAOYSA-N
30315
+ rxn:1:51273:17243,ON=Cc1cc(C2CCCCC2)n(-c2ccc(-c3cn(CC4C(c5cnc(N6CCCC6)nc5)C4(F)F)nn3)cc2)n1,MPFILJSBZFPOMM-UHFFFAOYSA-N
30316
+ rxn:1:51273:33319,Cc1ccc(C(=O)N2CC(N3CC(N(C)C)C3)C2)cc1-c1cn(CC2C(c3cnc(N4CCCC4)nc3)C2(F)F)nn1,IPDORRWDKNNJMV-UHFFFAOYSA-N
30317
+ rxn:1:51273:33655,CCN1CCC(C(=O)Nc2cncc(-c3cn(CC4C(c5cnc(N6CCCC6)nc5)C4(F)F)nn3)c2)CC1,NHYXAERFPFZNMV-UHFFFAOYSA-N
30318
+ rxn:1:51305:18064,CCOC(=O)N1Cc2nn(C3CCC3)c(-c3cn(CC4C(c5cccc(N6CCNCC6)c5)C4(F)F)nn3)c2C1,WUYDJEHGUSCAFF-UHFFFAOYSA-N
30319
+ rxn:1:51305:18110,COC(=O)N1CCc2nn(C3CCSCC3)c(-c3cn(CC4C(c5cccc(N6CCNCC6)c5)C4(F)F)nn3)c2C1,BVMFLJHVHZTBQL-UHFFFAOYSA-N
30320
+ rxn:1:51305:9536,CN1CCc2nc(NC(=O)OCc3cn(CC4C(c5cccc(N6CCNCC6)c5)C4(F)F)nn3)sc2C1,TVXCDDCEZWQTBS-UHFFFAOYSA-N
30321
+ rxn:1:51306:18064,CCOC(=O)N1Cc2nn(C3CCC3)c(-c3cn(CC4C(c5ccc(N6CCNCC6)cc5)C4(F)F)nn3)c2C1,PXCDDSAPBDMMBL-UHFFFAOYSA-N
30322
+ rxn:1:51306:18110,COC(=O)N1CCc2nn(C3CCSCC3)c(-c3cn(CC4C(c5ccc(N6CCNCC6)cc5)C4(F)F)nn3)c2C1,ORKVCOFKKBLQAU-UHFFFAOYSA-N
30323
+ rxn:1:51306:18115,CCOC(=O)N1CCc2nn(C3CC3)c(-c3cn(CC4C(c5ccc(N6CCNCC6)cc5)C4(F)F)nn3)c2C1,NQDQTMHWLMXTEQ-UHFFFAOYSA-N
30324
+ rxn:1:51306:33772,CC(C)(C)[C@H]1CC[C@H](C(=O)Nc2ccc(-c3cn(CC4C(c5ccc(N6CCNCC6)cc5)C4(F)F)nn3)nc2)CC1,DMBLAIZDICLZIY-MRLRQWFJSA-N
30325
+ rxn:1:51456:19905,CCc1cc(-c2cn(CC3C(c4cc(C(=O)OC)c5cn[nH]c5c4)C3(F)F)nn2)n(C(C)C2CCSCC2)n1,CMXQUMSKPKTJSU-UHFFFAOYSA-N
30326
+ rxn:1:51456:4109,CNC1CCN(Cc2cn(CC3C(c4cc(C(=O)OC)c5cn[nH]c5c4)C3(F)F)nn2)C(C)C1,KMRXZEAPOHNMLL-UHFFFAOYSA-N
30327
+ rxn:1:51457:9847,COC(=O)c1ccc2c(C3C(Cn4cc(CN5CC6(CCC(C(C)(C)C)CC6)Nc6cc(C)ccc65)nn4)C3(F)F)n[nH]c2c1,ZWCAMZVXBNTFBN-UHFFFAOYSA-N
30328
+ rxn:1:51467:19905,CCc1cc(-c2cn(CC3C(c4cc(C(=O)OC)c5cc[nH]c5c4)C3(F)F)nn2)n(C(C)C2CCSCC2)n1,NIYCZIYBYXEYNU-UHFFFAOYSA-N
30329
+ rxn:1:51470:21151,CCC(C)n1nc(C2CCCCC2)cc1-c1cn(CC2C(c3ccc4cc(C(=O)OC)[nH]c4c3)C2(F)F)nn1,SXTDEKVHKLSXGY-UHFFFAOYSA-N
30330
+ rxn:1:51471:15601,CCC(C)n1cc(-c2cn(CC3C(c4c[nH]c5cc(C(=O)OC)ccc45)C3(F)F)nn2)c(CC2CCCC2)n1,VAGQWVGUHOMSIB-UHFFFAOYSA-N
30331
+ rxn:1:52018:33319,Cc1ccc(C(=O)N2CC(N3CC(N(C)C)C3)C2)cc1-c1cn(CCC2CC2c2ccc(Cl)nc2C)nn1,FZGYKZJYRXHJHL-UHFFFAOYSA-N
30332
+ rxn:1:52354:33772,CC(C)(C)[C@H]1CC[C@H](C(=O)Nc2ccc(-c3cn(CCC4CC4c4cn[nH]c4C(F)(F)F)nn3)nc2)CC1,WRDDIBGOCILTPS-WSUVESLISA-N
30333
+ rxn:1:52538:33772,CC(C)(C)[C@H]1CC[C@H](C(=O)Nc2ccc(-c3cn(CCC4CC4c4c(Cl)nc(N)nc4Cl)nn3)nc2)CC1,HBZKJYJMUKAYNC-VRLLJRRXSA-N
30334
+ rxn:1:52636:7558,CC(C=CC1=C(C)CCCC1(C)C)=Cc1cn(CCC2CC2c2c[nH]c3ccc(Br)cc23)nn1,CLMPLEPXMPHIOC-UHFFFAOYSA-N
30335
+ rxn:1:52637:7558,CC(C=CC1=C(C)CCCC1(C)C)=Cc1cn(CCC2CC2c2c[nH]c3cc(Br)ccc23)nn1,DHOVJCMQVIZMME-UHFFFAOYSA-N
30336
+ rxn:1:52678:3897,CC(C)(C)OC(=O)N1CC(c2cn(CCC3CC3c3c[nH]c4c(Cl)ncnc34)nn2)C2(CC2)C1,ZSCHNRHHLRMNHI-UHFFFAOYSA-N
30337
+ rxn:1:53085:3897,CC(C)(C)OC(=O)N1CC(c2cn(CCC3CC3c3ccc4ncnc(Cl)c4c3)nn2)C2(CC2)C1,QMLHNTTZGVZTMN-UHFFFAOYSA-N
30338
+ rxn:1:53178:33319,Cc1ccc(C(=O)N2CC(N3CC(N(C)C)C3)C2)cc1-c1cn(CC2CCC3C(CC2)C3(F)F)nn1,YFGOBHAZSULNII-UHFFFAOYSA-N
30339
+ rxn:1:53274:29090,CC1(C)OB(C(F)=C2CCN(c3cc(-c4cn(CCC5CC5c5ccc6c(c5)C(=O)c5ccccc5-6)nn4)ncn3)CC2)OC1(C)C,JZTUEBGNSMJPPU-UHFFFAOYSA-N
30340
+ rxn:1:53320:9423,CC1(C)CC(NC(=O)OCc2cn(CCC3C(c4ccsc4)C3(F)F)nn2)CC(C)(C)N1,XLWKDTFSBNJCPR-UHFFFAOYSA-N
30341
+ rxn:1:53326:33772,CC(C)(C)[C@H]1CC[C@H](C(=O)Nc2ccc(-c3cn(CCC4C(c5cc[nH]n5)C4(F)F)nn3)nc2)CC1,JMFHUTNSXHFQLY-WYCBVGERSA-N
30342
+ rxn:1:53330:33319,Cc1ccc(C(=O)N2CC(N3CC(N(C)C)C3)C2)cc1-c1cn(CCC2C(c3nccs3)C2(F)F)nn1,CEWIEPQXLJDYAT-UHFFFAOYSA-N
30343
+ rxn:1:53334:33319,Cc1ccc(C(=O)N2CC(N3CC(N(C)C)C3)C2)cc1-c1cn(CCC2C(c3nc[nH]n3)C2(F)F)nn1,ABFJLTVHHBTUFQ-UHFFFAOYSA-N
30344
+ rxn:1:53356:33772,Cc1[nH]ncc1C1C(CCn2cc(-c3ccc(NC(=O)[C@H]4CC[C@H](C(C)(C)C)CC4)cn3)nn2)C1(F)F,XEQMSJIBDRWPLE-VCUMQWCCSA-N
30345
+ rxn:1:53357:29570,CCC12CCC3C4CCC(=O)C=C4CCC3C1C=CC2(OS(=O)(=O)[O-])c1cn(CCC2C(c3cncnc3)C2(F)F)nn1,IBFURJRVQRNYDR-UHFFFAOYSA-M
30346
+ rxn:1:53358:33319,Cc1ccc(C(=O)N2CC(N3CC(N(C)C)C3)C2)cc1-c1cn(CCC2C(c3cnn(C)c3)C2(F)F)nn1,HYTVMPZDSVUZTO-UHFFFAOYSA-N
30347
+ rxn:1:53415:33772,CC(C)(C)[C@H]1CC[C@H](C(=O)Nc2ccc(-c3cn(CCC4C(c5cnc(Cl)nc5)C4(F)F)nn3)nc2)CC1,CZVIEBBOIMQEBM-FKVPKNCMSA-N
30348
+ rxn:1:53416:33772,CC(C)(C)[C@H]1CC[C@H](C(=O)Nc2ccc(-c3cn(CCC4C(c5cnc(F)nc5)C4(F)F)nn3)nc2)CC1,HTGGOXLWAKGOGC-FKVPKNCMSA-N
30349
+ rxn:1:53484:33772,Cc1ccc(C2C(CCn3cc(-c4ccc(NC(=O)[C@H]5CC[C@H](C(C)(C)C)CC5)cn4)nn3)C2(F)F)cn1,YQODFIGYFDGDLR-YXTZEIFQSA-N
30350
+ rxn:1:53510:4533,CCC(C)(C)C1CCC(NCc2cn(CCC3C(c4cnccc4O)C3(F)F)nn2)CC1,RVNCRFBEEGLBTK-UHFFFAOYSA-N
30351
+ rxn:1:53883:33772,CC(C)(C)[C@H]1CC[C@H](C(=O)Nc2ccc(-c3cn(CCC4C(c5cnc(Cl)nc5N)C4(F)F)nn3)nc2)CC1,PCGKOSAXIGEQLN-FWCTWAHASA-N
30352
+ rxn:1:53887:33772,CC(C)(C)[C@H]1CC[C@H](C(=O)Nc2ccc(-c3cn(CCC4C(c5ncc(Cl)nc5N)C4(F)F)nn3)nc2)CC1,KDFACIZJWFZYQC-KFNVYHJHSA-N
30353
+ rxn:1:54261:33772,CC(C)(C)[C@H]1CC[C@H](C(=O)Nc2ccc(-c3cn(CCC4C(c5ncnc6[nH]cnc56)C4(F)F)nn3)nc2)CC1,RPCDNWNSTZXAAS-AEWRTDTKSA-N
30354
+ rxn:1:54263:18065,CCOC(=O)N1Cc2nn(C3CCOCC3)c(-c3cn(CCC4C(c5cnc6[nH]ccc6c5)C4(F)F)nn3)c2C1,LYACYZSTOUBAOO-UHFFFAOYSA-N
30355
+ rxn:1:54263:18066,CCOC(=O)N1Cc2nn(C3CCSCC3)c(-c3cn(CCC4C(c5cnc6[nH]ccc6c5)C4(F)F)nn3)c2C1,SXAIJQNMKIURKC-UHFFFAOYSA-N
30356
+ rxn:1:54264:33772,CC(C)(C)[C@H]1CC[C@H](C(=O)Nc2ccc(-c3cn(CCC4C(c5cnc6c(c5)CCN6)C4(F)F)nn3)nc2)CC1,BUIODMVFNAIRMV-RQLRJTSOSA-N
30357
+ rxn:1:54272:18114,CCOC(=O)N1CCc2nn(C3CCCCC3)c(-c3cn(CCC4C(c5ccc6[nH]cnc6c5)C4(F)F)nn3)c2C1,YZAJOXKHPCMZFA-UHFFFAOYSA-N
30358
+ rxn:1:54286:18114,CCOC(=O)N1CCc2nn(C3CCCCC3)c(-c3cn(CCC4C(c5cnc6[nH]ncc6c5)C4(F)F)nn3)c2C1,JLZGFJJJURORNX-UHFFFAOYSA-N
30359
+ rxn:1:54311:33772,CC(C)(C)[C@H]1CC[C@H](C(=O)Nc2ccc(-c3cn(CCC4C(c5n[nH]c6ncnc(Cl)c56)C4(F)F)nn3)nc2)CC1,BIQLTTXRCSOTQM-KFNVYHJHSA-N
30360
+ rxn:1:54345:23823,CC(C)(C)OC(=O)N1CCC(c2cn(CCC3C(c4ccc5c(c4)CCNC5)C3(F)F)nn2)(n2ccnn2)CC1,HCRRNUZHIHMLQR-UHFFFAOYSA-N
30361
+ rxn:1:54345:6197,CCOC(=O)C1CCCN(c2cc(-c3cn(CCC4C(c5ccc6c(c5)CCNC6)C4(F)F)nn3)ncn2)C1,KPGJBOHSZQNUEJ-UHFFFAOYSA-N
30362
+ rxn:1:54733:9904,CC(=O)N1CCC(N(C)Cc2cn(CCC3C(c4csc(N5CCOCC5)n4)C3(F)F)nn2)CC1,OHXPYISYNIOVBL-UHFFFAOYSA-N
30363
+ rxn:1:54735:33655,CCN1CCC(C(=O)Nc2cncc(-c3cn(CCC4C(c5cnn([C@@H]6CCCCO6)c5)C4(F)F)nn3)c2)CC1,LMRBUBTZANYBNE-DHWVBAGJSA-N
30364
+ rxn:1:54753:9904,CC(=O)N1CCC(N(C)Cc2cn(CCC3C(c4ccc(N5CCCC5)cc4)C3(F)F)nn2)CC1,AGGDSCLHEVGRIK-UHFFFAOYSA-N
30365
+ rxn:1:54776:31599,CC(C)(C)OC(=O)N1CCc2cc(-c3cn(CCC4C(c5cnc(N6CCCC6)nc5)C4(F)F)nn3)cnc2C1,DHYBYMJSBKVNOE-UHFFFAOYSA-N
30366
+ rxn:1:54802:18111,COC(=O)N1CCc2nn(C3CCSC3)c(-c3cn(CCC4C(c5cccc(N6CCNCC6)c5)C4(F)F)nn3)c2C1,RCDHLILKUYVREY-UHFFFAOYSA-N
30367
+ rxn:1:54802:33772,CC(C)(C)[C@H]1CC[C@H](C(=O)Nc2ccc(-c3cn(CCC4C(c5cccc(N6CCNCC6)c5)C4(F)F)nn3)nc2)CC1,CWKLODNJIUJDSH-QMOMNJKESA-N
30368
+ rxn:1:54802:8931,CC(C(=O)NCc1cn(CCC2C(c3cccc(N4CCNCC4)c3)C2(F)F)nn1)N1CCNCC1,UYMFHNOEMQUKGJ-UHFFFAOYSA-N
30369
+ rxn:1:54802:9904,CC(=O)N1CCC(N(C)Cc2cn(CCC3C(c4cccc(N5CCNCC5)c4)C3(F)F)nn2)CC1,LKMUEQOWSYEZOA-UHFFFAOYSA-N
30370
+ rxn:1:54803:18108,COC(=O)N1CCc2nn(C3CCC3)c(-c3cn(CCC4C(c5ccc(N6CCNCC6)cc5)C4(F)F)nn3)c2C1,VCAGXMUTWNHEMA-UHFFFAOYSA-N
30371
+ rxn:1:54803:18111,COC(=O)N1CCc2nn(C3CCSC3)c(-c3cn(CCC4C(c5ccc(N6CCNCC6)cc5)C4(F)F)nn3)c2C1,DXBGZIRNJQEDRC-UHFFFAOYSA-N
30372
+ rxn:1:54803:3220,COC(=O)C1(Cc2cn(CCC3C(c4ccc(N5CCNCC5)cc4)C3(F)F)nn2)CCNCC1,JJGRKCIBMCBNAI-UHFFFAOYSA-N
30373
+ rxn:1:54803:8931,CC(C(=O)NCc1cn(CCC2C(c3ccc(N4CCNCC4)cc3)C2(F)F)nn1)N1CCNCC1,HXIKARUMLLGISH-UHFFFAOYSA-N
30374
+ rxn:1:54813:6097,CC(C)(C)OC(=O)N1CCC(n2nncc2-c2cn(CCC3C(c4ccc(C5CCNCC5)cc4)C3(F)F)nn2)CC1,HTEXIXPKRZQZJU-UHFFFAOYSA-N
30375
+ rxn:1:54813:9904,CC(=O)N1CCC(N(C)Cc2cn(CCC3C(c4ccc(C5CCNCC5)cc4)C3(F)F)nn2)CC1,ZMLHZUVTLBPMAJ-UHFFFAOYSA-N
30376
+ rxn:1:54826:9904,CC(=O)N1CCC(N(C)Cc2cn(CCC3C(c4ccccc4N4CCOCC4)C3(F)F)nn2)CC1,RBEXPMPBNIFXKN-UHFFFAOYSA-N
30377
+ rxn:1:55441:9423,CC1(C)CC(NC(=O)OCc2cn(CC3CC3c3ccnc(Cl)c3F)nn2)CC(C)(C)N1,MQORQFOTBPLDNG-UHFFFAOYSA-N
30378
+ rxn:1:55454:33319,Cc1ccc(C(=O)N2CC(N3CC(N(C)C)C3)C2)cc1-c1cn(CC2CC2c2cc(Cl)cnc2F)nn1,MEVMRWXUEUDXNA-UHFFFAOYSA-N
30379
+ rxn:1:55733:33772,CC(C)(C)[C@H]1CC[C@H](C(=O)Nc2ccc(-c3cn(CC4CC4c4cn[nH]c4C(F)(F)F)nn3)nc2)CC1,QVVAOJIYHKCVQU-VRLLJRRXSA-N
30380
+ rxn:1:55739:33319,Cc1ccc(C(=O)N2CC(N3CC(N(C)C)C3)C2)cc1-c1cn(CC2COCCC2(F)F)nn1,YHFUVGYDCQBCIX-UHFFFAOYSA-N
30381
+ rxn:1:56007:29090,CC1(C)OB(C(F)=C2CCN(c3cc(-c4cn(CC5CC5c5cccc6c5CCC6=O)nn4)ncn3)CC2)OC1(C)C,BTCDWXNDGLSBIE-UHFFFAOYSA-N
30382
+ rxn:1:56532:34589,CCC1CCC(C(=O)Nc2ncc(Br)nc2-c2cn(CC3CC3c3cc(C(=O)OC)cnc3N)nn2)CC1,STMKSXMJFSYZRB-UHFFFAOYSA-N
30383
+ rxn:1:56747:33013,CS(=O)(=O)N1CC(C(=O)Nc2ncc(Br)nc2-c2cn(CC3CC3c3cccc(N4CCNCC4)c3)nn2)C1,UVXRIUWAVZYQPL-UHFFFAOYSA-N
30384
+ rxn:1:56750:29090,CC1(C)OB(C(F)=C2CCN(c3cc(-c4cn(CC5CC5c5ccc6[nH]c(=O)[nH]c(=O)c6c5)nn4)ncn3)CC2)OC1(C)C,FUYMOXZMFIKGHQ-UHFFFAOYSA-N
30385
+ rxn:1:58542:29060,CC1(C)OB(C(F)=CC2(c3cn(CCCc4ccc5[nH]c(=O)[nH]c(=O)c5c4)nn3)CC2)OC1(C)C,OWSTVLIMFCSIBJ-UHFFFAOYSA-N
30386
+ rxn:1:58574:29090,CC1(C)OB(C(F)=C2CCN(c3cc(-c4cn(CCCc5n[nH]c6c([N+](=O)[O-])cccc56)nn4)ncn3)CC2)OC1(C)C,OFTIVFHYMIJLRL-UHFFFAOYSA-N
30387
+ rxn:1:58800:9423,CC1(C)CC(NC(=O)OCc2cn(CCCCc3ccnc(Cl)c3)nn2)CC(C)(C)N1,IHGXTDCHRLCRBP-UHFFFAOYSA-N
30388
+ rxn:1:59153:33772,CC(C)(C)[C@H]1CC[C@H](C(=O)Nc2ccc(-c3cn(CCCCc4c(F)cc(Cl)cc4F)nn3)nc2)CC1,RTVJDIVRDQMVTD-WGSAOQKQSA-N
30389
+ rxn:1:59887:18590,CC(C)(C)OC(=O)N1CCC(=Cn2cc(-c3nn(CCF)cc3C3CCC3)nn2)CC1,PISVJOWVYQEJOY-UHFFFAOYSA-N
30390
+ rxn:1:60020:29830,N#CC1=CC(n2cc(C(=O)N3CC[C@H]4C[C@@H]3C(=O)NCCN(Cc3ccc(F)cn3)CCCOc3ccccc34)nn2)CC1,YAMHYVMKOGMXKV-BYVZFJPVSA-N
30391
+ rxn:1:60020:29896,N#CC1=CC(n2cc(C(=O)N3CC[C@H]4C[C@@H]3C(=O)NCCCN(Cc3cncc(F)c3)CCOc3ccccc34)nn2)CC1,CLSFOYBXIYLSEQ-KMPFHHKJSA-N
30392
+ rxn:1:60020:29897,N#CC1=CC(n2cc(C(=O)N3CC[C@H]4C[C@@H]3C(=O)NCCCN(Cc3ccc(Cl)cn3)CCOc3ccccc34)nn2)CC1,JWCCACWKVUUNMI-BYVZFJPVSA-N
30393
+ rxn:1:60020:29898,N#CC1=CC(n2cc(C(=O)N3CC[C@H]4C[C@@H]3C(=O)NCCCN(Cc3ccc(F)cn3)CCOc3ccccc34)nn2)CC1,QMFLNTWPRUAEKN-BYVZFJPVSA-N
30394
+ rxn:1:60111:29900,Cc1cccc(CN2CCCC3(CCN(C(=O)c4cn(I)nn4)CC3)CN(C)C(=O)c3cnn(c3)CC2)n1,HGQWPAJOKOGQGW-UHFFFAOYSA-N
30395
+ rxn:1:60206:22916,CC(C)(C)OC(=O)N1CC2CC(n3cc(-c4cncc(-n5nc(C6CNC6)cc5Br)c4)nn3)CC2C1,ICILVKGUMQOVFM-UHFFFAOYSA-N
30396
+ rxn:1:60301:35408,Cc1nc(-c2cccnc2)sc1C(=O)NCc1cn(CC2CCCN2S(=O)(=O)C2CCCCC2)nn1,LVBVTUXXEVIRTO-UHFFFAOYSA-N
30397
+ rxn:1:60310:35408,Cc1nc(-c2cccnc2)sc1C(=O)NCc1cn(CC2CCCN2S(=O)(=O)N2CCCCCC2)nn1,AEZLANKOEKCTCH-UHFFFAOYSA-N
30398
+ rxn:1:60331:23780,CC(C)(C)OC(=O)N1CCC(c2cn(C(C)(C)C3c4ccccc4OCC4=CNNN43)nn2)(n2cc(F)cn2)CC1,CPWACOCKCZVYCW-UHFFFAOYSA-N
30399
+ rxn:1:60331:37928,CC1(C)Cc2cccc(OCCCc3cn(C(C)(C)C4c5ccccc5OCC5=CNNN54)nn3)c2O1,RZWGXXMIKKXDLL-UHFFFAOYSA-N
30400
+ rxn:1:60331:6199,CC(C)(C)OC(=O)N1CCCN(c2cc(-c3cn(C(C)(C)C4c5ccccc5OCC5=CNNN54)nn3)ncn2)CC1,MXBWBEHRGNVHNO-UHFFFAOYSA-N
30401
+ rxn:1:60331:7256,CC(C)(C)OC(=O)N1CC(c2ocnc2-c2cn(C(C)(C)C3c4ccccc4OCC4=CNNN43)nn2)C1,CEVJMBCEAHFLHZ-UHFFFAOYSA-N
30402
+ rxn:1:60379:29825,Cn1nccc1CN1CCCOc2ccccc2[C@H]2CCN(C(=O)c3cn(CC4(F)CCNC4)nn3)[C@H](C2)C(=O)NCC1,XDLCMYGWBPWKLU-HNFLMJSXSA-N
30403
+ rxn:1:60379:29963,O=C1NCCCN(C(=O)c2cccnn2)CCOc2ccccc2[C@H]2C[C@@H]1CN(C(=O)c1cn(CC3(F)CCNC3)nn1)C2,JDTIUQPYTXLZNM-FINJQHJWSA-N
30404
+ rxn:1:60379:29968,O=C1NCCCN(Cc2nccs2)CCOc2ccccc2[C@H]2C[C@@H]1CN(C(=O)c1cn(CC3(F)CCNC3)nn1)C2,QQFORTGJPNSITL-DPONRAIZSA-N
30405
+ rxn:1:60379:30456,Cc1cnccc1C(=O)N1CCCOc2ccccc2[C@H]2CCN(C(=O)c3cn(CC4(F)CCNC4)nn3)[C@H](C2)C(=O)NCC1,LUXLWZIXLYHCBU-RTIFZRTPSA-N
30406
+ rxn:1:60917:1435,CN(CCn1cc(CN(C2CC2)S(=O)(=O)N(C)C)nn1)C1CCSCC1,PIOYORWUGXBXNW-UHFFFAOYSA-N
30407
+ rxn:1:60917:34893,CC(NC(=O)C(C)(C)c1c(F)cccc1F)c1cn(CCN(C)C2CCSCC2)nn1,LUCQIVMOKRLISJ-UHFFFAOYSA-N
30408
+ rxn:1:60942:29884,CC1(CF)CCN(C(=O)Cn2cc(C(=O)N3CC[C@H]4C[C@@H]3C(=O)NCCCN(Cc3ncccn3)CCOc3ccccc34)nn2)CC1,IKLBFNKZNBQSOK-LBNVMWSVSA-N
30409
+ rxn:1:60980:33655,CCN1CCC(C(=O)Nc2cncc(-c3cn(CCN4CCCC(C(C)(F)F)C4)nn3)c2)CC1,SDLBOFYHNZNNML-UHFFFAOYSA-N
30410
+ rxn:1:60982:4085,CC1=C(C(=O)O)C(c2ccc(C)cc2)N=C(SCc2cn(CCN3CCC(C(C)(F)F)CC3)nn2)N1,MBQHDTGVCKIZEV-UHFFFAOYSA-N
30411
+ rxn:1:61020:4085,CC1=C(C(=O)O)C(c2ccc(C)cc2)N=C(SCc2cn(CCN3CCN(CCF)CC3)nn2)N1,FOLQYTIHRFMIJE-UHFFFAOYSA-N
30412
+ rxn:1:61035:15484,CCS(=O)(=O)c1ccc(-n2cc(-c3cn(CCN4CCN(C5CCC5)CC4)nn3)c(C3CCCC3)n2)cc1,QJTGEPDSTNTDIB-UHFFFAOYSA-N
30413
+ rxn:1:61092:33772,CC(C)(C)[C@H]1CC[C@H](C(=O)Nc2ccc(-c3cn(CCN4CCC(C(F)(F)F)C4)nn3)nc2)CC1,ZMGJPPSBSUVNOJ-GAZRBOARSA-N
30414
+ rxn:1:61198:24105,COCOc1cc(B2OC(C)(C)C(C)(C)O2)c2c(-c3cn(C4CN(C(=O)c5cn[nH]c5)C4)nn3)c(F)ccc2c1,XNLDIBOUAUGSBJ-UHFFFAOYSA-N
30415
+ rxn:1:61255:15484,CCS(=O)(=O)c1ccc(-n2cc(-c3cn(C4CN(C5CCC(C(C)(C)C)CC5)C4)nn3)c(C3CCCC3)n2)cc1,RINBNHXARPUNGL-UHFFFAOYSA-N
30416
+ rxn:1:61255:16857,CCS(=O)(=O)c1ccc(-n2ncc(-c3cn(C4CN(C5CCC(C(C)(C)C)CC5)C4)nn3)c2C2CCC2)cc1,XDABYEIUPTVVPI-UHFFFAOYSA-N
30417
+ rxn:1:61255:16974,CCS(=O)(=O)c1ccc(-n2ncc(-c3cn(C4CN(C5CCC(C(C)(C)C)CC5)C4)nn3)c2C2CCCCC2)cc1,OYVLRHMXEWFOQE-UHFFFAOYSA-N
30418
+ rxn:1:61255:17148,CC(C)(C)C1CCC(N2CC(n3cc(COc4ccc(-n5nc(Cl)cc5C5CCC5)cc4)nn3)C2)CC1,UMHJBAWGDKLERK-UHFFFAOYSA-N
30419
+ rxn:1:61255:17966,CC(C)(C)C1CCC(N2CC(n3cc(COc4ccc(-n5nc(C6CC6)cc5Br)cc4)nn3)C2)CC1,SWUVIGQQLCLFJV-UHFFFAOYSA-N
30420
+ rxn:1:61255:38116,Cn1ccnc1SC(=N)C(F)(F)c1cccc(-c2cn(C3CN(C4CCC(C(C)(C)C)CC4)C3)nn2)c1,UAOHSFIKAUKCRG-UHFFFAOYSA-N
30421
+ rxn:1:61255:39204,CC(C)(C)C1CCC(N2CC(n3cc(COC(=O)c4cc(Cl)c5[nH]c(-c6cccc(Cl)c6)nc5c4)nn3)C2)CC1,QCSWILXZGRQIJC-UHFFFAOYSA-N
30422
+ rxn:1:61255:5414,CC(C)(C)C1CCC(N2CC(n3cc(Cn4ccc5c4CCN=C5COc4ccc(Cl)cc4)nn3)C2)CC1,JCFWVFYMYJDNOX-UHFFFAOYSA-N
30423
+ rxn:1:61324:29055,CC1(C)OB(C(F)=CC2(Cc3cn(C4CN(CC(=O)Nc5nccs5)C4)nn3)CCC2)OC1(C)C,ZFQCQVYWOVZEBO-UHFFFAOYSA-N
30424
+ rxn:1:61338:22774,CC(C)(C)NC(=O)CN1CC(n2cc(-c3cncc(-n4nc(C5CCCCC5)c(I)c4Cl)c3)nn2)C1,ZVKFOJWSNYVEGC-UHFFFAOYSA-N
30425
+ rxn:1:61339:13997,C[Si](C)(C)CCOn1cc(-c2cn(C3CN(CC(=O)N4CCOCC4)C3)nn2)cn1,QBRGBZPVYXIRLI-UHFFFAOYSA-N
30426
+ rxn:1:61511:33655,CCN1CCC(C(=O)Nc2cncc(-c3cn([C@H]4C[C@H](OCC(F)F)C4)nn3)c2)CC1,BYRPDOHIXIDDQL-IYARVYRRSA-N
30427
+ rxn:1:61520:30032,O=C1NCCCN(Cc2ncccc2F)CCOc2ccccc2[C@H]2C[C@@H]1CN(C(=O)c1cn(CC3(F)CCOCC3)nn1)C2,YUCHXAFXNNJYHU-BJKOFHAPSA-N
30428
+ rxn:1:6168:59596,CC1(C)OB(C(F)=C2COCC2n2cc(CNC(=O)c3cc(C4CC4)n[nH]3)nn2)OC1(C)C,YFPDWLYAKKLHCS-UHFFFAOYSA-N
30429
+ rxn:1:61753:33319,Cc1ccc(C(=O)N2CC(N3CC(N(C)C)C3)C2)cc1-c1cn(C2COCC2(F)F)nn1,JRLXUIQNXAUMLO-UHFFFAOYSA-N
30430
+ rxn:1:61876:1990,CC(C)(C)OC(=O)C(N)Cc1cn(CC2OCCNCC2(F)F)nn1,WECYRUDSUYXQSP-UHFFFAOYSA-N
30431
+ rxn:1:61876:29808,CCn1ccnc1CN1CCCNC(=O)[C@@H]2C[C@@H](CCN2C(=O)c2cn(CC3OCCNCC3(F)F)nn2)c2ccccc2OCCC1,DLFQRQMJSJRIQI-JWCQMFRASA-N
30432
+ rxn:1:61876:29835,Cn1nccc1CN1CCCNC(=O)[C@@H]2C[C@@H](CCN2C(=O)c2cn(CC3OCCNCC3(F)F)nn2)c2ccccc2OCCC1,ROIFVTLQTBKVIO-NANLIHLTSA-N
30433
+ rxn:1:61876:29836,Cn1ccc(CN2CCCNC(=O)[C@@H]3C[C@@H](CCN3C(=O)c3cn(CC4OCCNCC4(F)F)nn3)c3ccccc3OCCC2)n1,KWTWTXAEJMOSQI-NANLIHLTSA-N
30434
+ rxn:1:61876:29837,COc1cncc(CN2CCCNC(=O)[C@@H]3C[C@@H](CCN3C(=O)c3cn(CC4OCCNCC4(F)F)nn3)c3ccccc3OCCC2)c1,ZZQNZDGIECDULU-PLESJLFNSA-N
30435
+ rxn:1:61876:29876,CC(C)n1nccc1CN1CCCNC(=O)[C@H]2C[C@H](CCN2C(=O)c2cn(CC3OCCNCC3(F)F)nn2)c2ccccc2OCC1,UXNXRLSCXDKYOJ-SAUKDLMZSA-N
30436
+ rxn:1:61876:29877,COc1ncc(CN2CCCNC(=O)[C@H]3C[C@H](CCN3C(=O)c3cn(CC4OCCNCC4(F)F)nn3)c3ccccc3OCC2)cn1,DAMSYOIROXUCFT-YRVHRZEMSA-N
30437
+ rxn:1:61876:29882,Cc1csc(CN2CCCNC(=O)[C@H]3C[C@H](CCN3C(=O)c3cn(CC4OCCNCC4(F)F)nn3)c3ccccc3OCC2)n1,GAULLKKOECJEDY-CFBGBLEJSA-N
30438
+ rxn:1:61876:29886,Cn1nccc1CN1CCCNC(=O)[C@H]2C[C@H](CCN2C(=O)c2cn(CC3OCCNCC3(F)F)nn2)c2ccccc2OCC1,FMZFCRJRZZQGOW-ZFAKDKHVSA-N
30439
+ rxn:1:61876:29913,Cc1nccc(CN2CCCC3(CCN(C(=O)c4cn(CC5OCCNCC5(F)F)nn4)CC3)CN(C)C(=O)c3cnn(c3)CC2)n1,AAXSPQPHKHWQFO-UHFFFAOYSA-N
30440
+ rxn:1:61876:29943,O=C1NCCCN(C(=O)c2cc[nH]n2)CCOc2ccccc2[C@H]2C[C@@H]1CN(C(=O)c1cn(CC3OCCNCC3(F)F)nn1)C2,VNUAEFQMDRYPSP-IEDSLXKASA-N
30441
+ rxn:1:61876:29958,Cc1ncncc1C(=O)N1CCCNC(=O)[C@@H]2C[C@@H](CN(C(=O)c3cn(CC4OCCNCC4(F)F)nn3)C2)c2ccccc2OCC1,ZTZNTFKEVGCQCR-SYDXZMBCSA-N
30442
+ rxn:1:61876:29968,O=C1NCCCN(Cc2nccs2)CCOc2ccccc2[C@H]2C[C@@H]1CN(C(=O)c1cn(CC3OCCNCC3(F)F)nn1)C2,TXKFUGYUUBTMDE-SMWUWQHRSA-N
30443
+ rxn:1:61876:30002,O=C1NCCCN(Cc2ncccn2)CCOc2ccccc2[C@H]2C[C@@H]1CN(C(=O)c1cn(CC3OCCNCC3(F)F)nn1)C2,WYMKDUXNEUJPRM-FOCHENRBSA-N
30444
+ rxn:1:61876:30022,Cc1ncsc1C(=O)N1CCCNC(=O)[C@@H]2C[C@@H](CCN2C(=O)c2cn(CC3OCCNCC3(F)F)nn2)c2ccccc2OCCC1,UAHPXPHCASVYGI-VHHDRZGZSA-N
30445
+ rxn:1:61876:30034,Cc1ncncc1C(=O)N1CCCOc2ccccc2[C@H]2CCN(C(=O)c3cn(CC4OCCNCC4(F)F)nn3)[C@H](C2)C(=O)NCC1,CEZPRZIECDMEPE-ZFAKDKHVSA-N
30446
+ rxn:1:61876:30038,Cc1ocnc1C(=O)N1CCCOc2ccccc2[C@H]2CCN(C(=O)c3cn(CC4OCCNCC4(F)F)nn3)[C@H](C2)C(=O)NCC1,DWRCHPDFKKIOBL-ZVZHDGNBSA-N
30447
+ rxn:1:61876:30066,Cc1ncsc1C(=O)N1CCCOc2ccccc2[C@@H]2C[C@@H](CN(C(=O)c3cn(CC4OCCNCC4(F)F)nn3)C2)C(=O)NCC1,MXZCXWIAEMPUTG-SGNGHUOJSA-N
30448
+ rxn:1:61876:30127,CN1CCCN(C(=O)c2cscn2)CCOc2ccc(C3CC3)cc2[C@H]2C[C@H](CN(C(=O)c3cn(CC4OCCNCC4(F)F)nn3)C2)C1=O,MAHOMCHEFAOIRV-BWOOIXMFSA-N
30449
+ rxn:1:61876:30164,Cc1ncncc1C(=O)N1CCCNC(=O)[C@@H]2C[C@@H](CCN2C(=O)c2cn(CC3OCCNCC3(F)F)nn2)c2cc(C3CC3)ccc2OCCC1,BTLHDICSTXSLCK-YGLZABHYSA-N
30450
+ rxn:1:61876:30166,Cc1ncncc1C(=O)N1CCCNC(=O)[C@@H]2C[C@@H](CN(C(=O)c3cn(CC4OCCNCC4(F)F)nn3)C2)c2ccccc2OCCC1,IVXWSGUUXWYLLV-FEMHNBHWSA-N
30451
+ rxn:1:61876:30350,CN1CC2(CCCN(Cc3ccn4ccnc4c3)CCCn3cc(cn3)C1=O)CCN(C(=O)c1cn(CC3OCCNCC3(F)F)nn1)CC2,NDZOJLHVBCXINP-UHFFFAOYSA-N
30452
+ rxn:1:61876:30351,CN1CC2(CCCN(Cc3cnc4ccccn34)CCCn3cc(cn3)C1=O)CCN(C(=O)c1cn(CC3OCCNCC3(F)F)nn1)CC2,POMRGZBHACPWHR-UHFFFAOYSA-N
30453
+ rxn:1:61876:30383,CCn1ccnc1CN1CCCOc2ccccc2[C@H]2CCN(C(=O)c3cn(CC4OCCNCC4(F)F)nn3)[C@H](C2)C(=O)NCC1,HLRXPAUITHAEHM-YRVHRZEMSA-N
30454
+ rxn:1:61876:33319,Cc1ccc(C(=O)N2CC(N3CC(N(C)C)C3)C2)cc1-c1cn(CC2OCCNCC2(F)F)nn1,ZAHQEGBCAVECHC-UHFFFAOYSA-N
30455
+ rxn:1:61876:33772,CC(C)(C)[C@H]1CC[C@H](C(=O)Nc2ccc(-c3cn(CC4OCCNCC4(F)F)nn3)nc2)CC1,ZYFUSQNNTLNKCY-UYJZDEDHSA-N
30456
+ rxn:1:61913:29889,CN1CCC(n2cc(C(=O)N3CC[C@H]4C[C@@H]3C(=O)NCCCN(Cc3ccncc3F)CCOc3ccccc34)nn2)CC1,WZBOANYYCLSSNJ-MUAVYFROSA-N
30457
+ rxn:1:61916:12278,C[C@@]12C=CCC1C1CC[C@H]3C[C@@H](n4cc(-c5cc(Br)cc(OS(=O)(=O)F)c5)nn4)CC[C@]3(C)C1CC2,BYZLPIXODZCTEF-HKIKLCQRSA-N
30458
+ rxn:1:61916:22627,C[C@@]12C=CCC1C1CC[C@H]3C[C@@H](n4cc(-c5ccc(-n6ncc(C#N)c6I)cc5)nn4)CC[C@]3(C)C1CC2,XTBOSMXSXPHRPD-UTQUBAIISA-N
30459
+ rxn:1:62052:10967,N=c1c2nc(-n3cc(CN(C4CCCCC4)S(=O)(=O)c4ccccc4)nn3)n3c2ncn1C1OC(COP(=O)(O)OP(=O)(O)OCC2OC3C(O)C2O)C(O)C1O,JJTNTUHPKKOPDW-UHFFFAOYSA-N
30460
+ rxn:1:62052:136,N=c1c2nc(-n3cc(CC(=O)c4ccccn4)nn3)n3c2ncn1C1OC(COP(=O)(O)OP(=O)(O)OCC2OC3C(O)C2O)C(O)C1O,SFBLDTXBDQKAPW-UHFFFAOYSA-N
30461
+ rxn:1:62052:15037,N=c1c2nc(-n3cc(Cn4[nH]c(=O)cc4I)nn3)n3c2ncn1C1OC(COP(=O)(O)OP(=O)(O)OCC2OC3C(O)C2O)C(O)C1O,DDTFXNDSESCPSR-UHFFFAOYSA-N
30462
+ rxn:1:62052:23477,N=c1c2nc(-n3cc(CN4C=Nc5ncc(Br)cc5S4(=O)=O)nn3)n3c2ncn1C1OC(COP(=O)(O)OP(=O)(O)OCC2OC3C(O)C2O)C(O)C1O,YAXDGBLZNLIANS-UHFFFAOYSA-N
30463
+ rxn:1:62052:23786,N=c1c2nc(-n3cc(C4(n5cc(Br)cn5)CCS(=O)(=O)CC4)nn3)n3c2ncn1C1OC(COP(=O)(O)OP(=O)(O)OCC2OC3C(O)C2O)C(O)C1O,INSZKPBGFABBOI-UHFFFAOYSA-N
30464
+ rxn:1:62052:23812,N=c1c2nc(-n3cc(C4(n5cncn5)CCS(=O)(=O)CC4)nn3)n3c2ncn1C1OC(COP(=O)(O)OP(=O)(O)OCC2OC3C(O)C2O)C(O)C1O,UGOOFZRCONISAW-UHFFFAOYSA-N
30465
+ rxn:1:62052:24036,N=c1c2nc(-n3cc(-c4cnccc4Br)nn3)n3c2ncn1C1OC(COP(=O)(O)OP(=O)(O)OCC2OC3C(O)C2O)C(O)C1O,BZMQKEYDJSMDJH-UHFFFAOYSA-N
30466
+ rxn:1:62052:25437,CS(=O)(=O)c1cccc(N2CC(c3cn(-c4nc5c(=N)n6cnc5n4C4OC(COP(=O)(O)OP(=O)(O)OCC5OC6C(O)C5O)C(O)C4O)nn3)CC2=O)c1,OPPHHYHZGFPMTD-UHFFFAOYSA-N
30467
+ rxn:1:62052:26567,N=c1c2nc(-n3cc(C4CC(=O)N(c5cc(Cl)ncc5I)C4)nn3)n3c2ncn1C1OC(COP(=O)(O)OP(=O)(O)OCC2OC3C(O)C2O)C(O)C1O,YGROMMZMDAGGEG-UHFFFAOYSA-N
30468
+ rxn:1:62052:2678,N=c1c2nc(-n3cc(CCc4c[nH]nc4C(F)(F)F)nn3)n3c2ncn1C1OC(COP(=O)(O)OP(=O)(O)OCC2OC3C(O)C2O)C(O)C1O,CWSLPGFHIZNWOZ-UHFFFAOYSA-N
30469
+ rxn:1:62052:28232,Cc1ccc(S(=O)(=O)n2cccc2-c2cn(-c3nc4c(=N)n5cnc4n3C3OC(COP(=O)(O)OP(=O)(O)OCC4OC5C(O)C4O)C(O)C3O)nn2)cc1,WVUYTSLZUYFOLV-UHFFFAOYSA-N
30470
+ rxn:1:62052:31896,N=c1c2nc(-n3cc(-c4ccncc4I)nn3)n3c2ncn1C1OC(COP(=O)(O)OP(=O)(O)OCC2OC3C(O)C2O)C(O)C1O,BZZPKRWWWGNBMN-UHFFFAOYSA-N
30471
+ rxn:1:62052:32690,N=c1c2nc(-n3cc(-c4cnc(Cl)nc4Cl)nn3)n3c2ncn1C1OC(COP(=O)(O)OP(=O)(O)OCC2OC3C(O)C2O)C(O)C1O,NYUPHXPFVCBIDT-UHFFFAOYSA-N
30472
+ rxn:1:62052:3796,N=c1c2nc(-n3cc(-c4c[nH]c(=O)c(Cl)c4)nn3)n3c2ncn1C1OC(COP(=O)(O)OP(=O)(O)OCC2OC3C(O)C2O)C(O)C1O,CMVFAXVVYLYBIC-UHFFFAOYSA-N
30473
+ rxn:1:62052:38505,N=c1c2nc(-n3cc(-c4cnc(OC(F)(F)F)cn4)nn3)n3c2ncn1C1OC(COP(=O)(O)OP(=O)(O)OCC2OC3C(O)C2O)C(O)C1O,CRMNNKUBNAIOQY-UHFFFAOYSA-N
30474
+ rxn:1:62052:39138,C=C(C)C(=O)Nc1cccc(-c2cn(-c3nc4c(=N)n5cnc4n3C3OC(COP(=O)(O)OP(=O)(O)OCC4OC5C(O)C4O)C(O)C3O)nn2)c1,KGPFTHWDLQMGRQ-UHFFFAOYSA-N
30475
+ rxn:1:62052:39362,COC(=O)C(C)Cc1cn(-c2nc3c(=N)n4cnc3n2C2OC(COP(=O)(O)OP(=O)(O)OCC3OC4C(O)C3O)C(O)C2O)nn1,GGXPYGYAGHGMSG-UHFFFAOYSA-N
30476
+ rxn:1:62052:39445,N=c1c2nc(-n3cc(-c4cccnc4Cl)nn3)n3c2ncn1C1OC(COP(=O)(O)OP(=O)(O)OCC2OC3C(O)C2O)C(O)C1O,DCBNMDZJXNMMJP-UHFFFAOYSA-N
30477
+ rxn:1:62052:39446,N=c1c2nc(-n3cc(-c4cnccc4Cl)nn3)n3c2ncn1C1OC(COP(=O)(O)OP(=O)(O)OCC2OC3C(O)C2O)C(O)C1O,LFPVCUUNQURXET-UHFFFAOYSA-N
30478
+ rxn:1:62052:39675,N=c1c2nc(-n3cc(-c4cccc(NS(=O)(=O)CBr)c4)nn3)n3c2ncn1C1OC(COP(=O)(O)OP(=O)(O)OCC2OC3C(O)C2O)C(O)C1O,DJGFOHOOAOAEQA-UHFFFAOYSA-N
30479
+ rxn:1:62052:4134,N=c1c2nc(-n3cc(CSc4ncccc4C(=O)O)nn3)n3c2ncn1C1OC(COP(=O)(O)OP(=O)(O)OCC2OC3C(O)C2O)C(O)C1O,FXIMUMFYJXFYPI-UHFFFAOYSA-N
30480
+ rxn:1:62052:5037,N=c1c2nc(-n3cc(CS(=O)(=O)Cc4cccc(N5CCNCC5)c4)nn3)n3c2ncn1C1OC(COP(=O)(O)OP(=O)(O)OCC2OC3C(O)C2O)C(O)C1O,DWMVXNNDNGZYDS-UHFFFAOYSA-N
30481
+ rxn:1:62271:10559,CC(C(=O)c1ccccc1)S(=O)Cc1cn(-c2nc3c4ncnc3n2C2OC(COP(=O)(OP(=O)(O)O)OCC3OC(N4)C(O)C3O)C(O)C2O)nn1,YNYADLMQQYLNTD-UHFFFAOYSA-N
30482
+ rxn:1:62271:13062,CC(OC(=O)c1ccc(-c2cn(-c3nc4c5ncnc4n3C3OC(COP(=O)(OP(=O)(O)O)OCC4OC(N5)C(O)C4O)C(O)C3O)nn2)cc1)c1ccncc1,RIDUGSCLSBHALK-UHFFFAOYSA-N
30483
+ rxn:1:62271:22657,CSc1cnn(-c2cncc(-c3cn(-c4nc5c6ncnc5n4C4OC(COP(=O)(OP(=O)(O)O)OCC5OC(N6)C(O)C5O)C(O)C4O)nn3)c2)c1Cl,LWTLIABEIOUYKG-UHFFFAOYSA-N
30484
+ rxn:1:62271:23328,O=C(Cl)c1cn(-c2nc3c4ncnc3n2C2OC(COP(=O)(OP(=O)(O)O)OCC3OC(N4)C(O)C3O)C(O)C2O)nn1,UMLCLDMDSSKSNN-UHFFFAOYSA-N
30485
+ rxn:1:62271:24280,CC(C)Oc1c(Br)cccc1-c1cn(-c2nc3c4ncnc3n2C2OC(COP(=O)(OP(=O)(O)O)OCC3OC(N4)C(O)C3O)C(O)C2O)nn1,TZMFNKBIZDIFOC-UHFFFAOYSA-N
30486
+ rxn:1:62271:2721,CC(C)(c1ccc(Cl)cc1)c1cn(-c2nc3c4ncnc3n2C2OC(COP(=O)(OP(=O)(O)O)OCC3OC(N4)C(O)C3O)C(O)C2O)nn1,MNLUTUYHKJQSRI-UHFFFAOYSA-N
30487
+ rxn:1:62271:27756,Nc1nc(-c2cn(-c3nc4c5ncnc4n3C3OC(COP(=O)(OP(=O)(O)O)OCC4OC(N5)C(O)C4O)C(O)C3O)nn2)nc(C(F)(F)F)c1N,FSBNXJRYJLNCBY-UHFFFAOYSA-N
30488
+ rxn:1:62271:28695,NC(c1cn(-c2nc3c4ncnc3n2C2OC(COP(=O)(OP(=O)(O)O)OCC3OC(N4)C(O)C3O)C(O)C2O)nn1)C(F)(F)F,LSYGGFPBHADDRS-UHFFFAOYSA-N
30489
+ rxn:1:62271:29472,O=c1ccc(I)c(-c2cn(-c3nc4c5ncnc4n3C3OC(COP(=O)(OP(=O)(O)O)OCC4OC(N5)C(O)C4O)C(O)C3O)nn2)[nH]1,QQAWJDHXMSQQIE-UHFFFAOYSA-N
30490
+ rxn:1:62271:3003,O=[N+]([O-])c1cccc(Cl)c1-c1cn(-c2nc3c4ncnc3n2C2OC(COP(=O)(OP(=O)(O)O)OCC3OC(N4)C(O)C3O)C(O)C2O)nn1,FPANXXRISKKPAR-UHFFFAOYSA-N
30491
+ rxn:1:62271:3066,CC(C)(c1ccncc1)c1cn(-c2nc3c4ncnc3n2C2OC(COP(=O)(OP(=O)(O)O)OCC3OC(N4)C(O)C3O)C(O)C2O)nn1,MFELFWWMBKHVIX-UHFFFAOYSA-N
30492
+ rxn:1:62271:32705,O=c1ncc(F)c(-c2cn(-c3nc4c5ncnc4n3C3OC(COP(=O)(OP(=O)(O)O)OCC4OC(N5)C(O)C4O)C(O)C3O)nn2)[nH]1,NMKAVDPVROGLLO-UHFFFAOYSA-N
30493
+ rxn:1:62271:36655,CS(=O)(=O)Nc1ccccc1-c1ccc(-c2cn(-c3nc4c5ncnc4n3C3OC(COP(=O)(OP(=O)(O)O)OCC4OC(N5)C(O)C4O)C(O)C3O)nn2)nc1,BSIGYIDRLGJACI-UHFFFAOYSA-N
30494
+ rxn:1:62271:3873,O=c1[nH]cc(Cl)cc1-c1cn(-c2nc3c4ncnc3n2C2OC(COP(=O)(OP(=O)(O)O)OCC3OC(N4)C(O)C3O)C(O)C2O)nn1,GPCWTMNRSCGRAY-UHFFFAOYSA-N
30495
+ rxn:1:62271:39843,NC(c1cn(-c2nc3c4ncnc3n2C2OC(COP(=O)(OP(=O)(O)O)OCC3OC(N4)C(O)C3O)C(O)C2O)nn1)c1ccccc1Br,PCCIUZNEVDTWBB-UHFFFAOYSA-N
30496
+ rxn:1:62271:5238,CC(C1CCNCC1)S(=O)(=O)Cc1cn(-c2nc3c4ncnc3n2C2OC(COP(=O)(OP(=O)(O)O)OCC3OC(N4)C(O)C3O)C(O)C2O)nn1,OBZGINZKLZKBNH-UHFFFAOYSA-N
30497
+ rxn:1:62271:5907,O=C(O)c1ccccc1SCc1cn(-c2nc3c4ncnc3n2C2OC(COP(=O)(OP(=O)(O)O)OCC3OC(N4)C(O)C3O)C(O)C2O)nn1,RAERLOLHQODTFU-UHFFFAOYSA-N
30498
+ rxn:1:62271:7171,O=c1c(Br)cc(Cl)cn1Cc1cn(-c2nc3c4ncnc3n2C2OC(COP(=O)(OP(=O)(O)O)OCC3OC(N4)C(O)C3O)C(O)C2O)nn1,QSWYLHJNAIUCQH-UHFFFAOYSA-N
30499
+ rxn:1:62271:8607,CN(C)C(c1cn(-c2nc3c4ncnc3n2C2OC(COP(=O)(OP(=O)(O)O)OCC3OC(N4)C(O)C3O)C(O)C2O)nn1)C1CC1,FLDCJIBGDDYRBH-UHFFFAOYSA-N
30500
+ rxn:1:62330:33772,CC(CN(C)C)Cn1cc(-c2ccc(NC(=O)[C@H]3CC[C@H](C(C)(C)C)CC3)cn2)nn1,SJWNRLYYNWJPJQ-YIQCUVMYSA-N
30501
+ rxn:1:62561:29824,CO[C@@H]1COC[C@@H]1n1cc(C(=O)N2CC[C@H]3C[C@@H]2C(=O)NCCN(Cc2ncccn2)CCCOc2ccccc23)nn1,WXOIACFOMWXHGG-SDBGCZOPSA-N
30502
+ rxn:1:62561:29884,CO[C@@H]1COC[C@@H]1n1cc(C(=O)N2CC[C@H]3C[C@@H]2C(=O)NCCCN(Cc2ncccn2)CCOc2ccccc23)nn1,ZSYYBZAOLZHFIW-SDBGCZOPSA-N
30503
+ rxn:1:62863:29990,O=C(CCl)Nc1nonc1-n1cc(C(=O)N2CC[C@H]3C[C@@H]2C(=O)NCCCN(C(=O)c2cnccn2)CCOc2ccccc23)nn1,ASSPGYHPDOUIIK-PGRDOPGGSA-N
30504
+ rxn:1:62863:30037,O=C(CCl)Nc1nonc1-n1cc(C(=O)N2CC[C@H]3C[C@@H]2C(=O)NCCN(C(=O)c2cccnn2)CCCOc2ccccc23)nn1,OWCJHDYSEMYYSC-PGRDOPGGSA-N
30505
+ rxn:1:64116:16974,CCS(=O)(=O)c1ccc(-n2ncc(-c3cn(CCN4CCC(N(C)C)C4)nn3)c2C2CCCCC2)cc1,LSVQUXCPZAUKSW-UHFFFAOYSA-N
30506
+ rxn:1:64716:8693,C[Si](C)(CCCI)c1cn(CC2CC(=O)N(c3ccc(N4CCOCC4)nc3)C2)nn1,OZJLYHNJXOWSTR-UHFFFAOYSA-N
30507
+ rxn:1:65584:33772,CC(C)(C)[C@H]1CC[C@H](C(=O)Nc2ccc(-c3cn(CC4CC(=O)N(c5nnc(C(F)(F)F)[nH]5)C4)nn3)nc2)CC1,MKUGUYXKXLUGMH-ATBAIXNZSA-N
30508
+ rxn:1:7558:53103,CC(C=CC1=C(C)CCCC1(C)C)=Cc1cn(CCC2CC2c2ccc3nccc(Cl)c3c2)nn1,SDIIXCRNFUGRFL-UHFFFAOYSA-N
30509
+ rxn:1:771:57137,CC(=O)NC1C(O)C(O)C(CO)OC1n1cc(CCC2(CCI)N=N2)nn1,AVJXWDMBXOKOPN-UHFFFAOYSA-N
30510
+ rxn:1:7799:57137,CC(=O)NC1C(O)C(O)C(CO)OC1n1cc(C2(O)CC(F)(F)C2)nn1,CLJCJYUCBZXJAC-UHFFFAOYSA-N
30511
+ rxn:1:943:61587,CC1CC(NCCc2cn(C(CBr)C3CCCC3)nn2)CC(C)(C)C1,PQHZTZRGXSNZEW-UHFFFAOYSA-N
30512
+ rxn:1:9904:54802,CC(=O)N1CCC(N(C)Cc2cn(CCC3C(c4cccc(N5CCNCC5)c4)C3(F)F)nn2)CC1,LKMUEQOWSYEZOA-UHFFFAOYSA-N