urdof7 commited on
Commit
bf67da9
·
verified ·
1 Parent(s): 61ae3fa

Added 102 molecules from epoch 17566 for Q92769

Browse files
Files changed (1) hide show
  1. Q92769_molecules.csv +102 -0
Q92769_molecules.csv CHANGED
@@ -29229,3 +29229,105 @@ rxn:3:8722:55885:84946,CC(c1cn(CC2CC2c2ncccc2C(=O)NCc2ccc(OS(=O)(=O)F)cc2)nn1)N1
29229
  rxn:3:879:44053:131256,CCC(CC)c1cn(CCC#Cc2ccc(C(=O)NCC3CC(F)(COC)C3)o2)nn1,APUFXFNYKVLBHU-UHFFFAOYSA-N
29230
  rxn:3:8803:44516:131256,C=CCCc1cn(CCC#Cc2cccc(C(=O)NCC3CC(F)(COC)C3)n2)nn1,LVZXDWVRIRWDNR-UHFFFAOYSA-N
29231
  rxn:3:9:49127:70780,CCOC(Cn1cc(-c2ccc(N3CCCCC3)nn2)nn1)C(=O)NCS(=O)(=O)CC,IKDUKCZQXNIGRV-UHFFFAOYSA-N
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
29229
  rxn:3:879:44053:131256,CCC(CC)c1cn(CCC#Cc2ccc(C(=O)NCC3CC(F)(COC)C3)o2)nn1,APUFXFNYKVLBHU-UHFFFAOYSA-N
29230
  rxn:3:8803:44516:131256,C=CCCc1cn(CCC#Cc2cccc(C(=O)NCC3CC(F)(COC)C3)n2)nn1,LVZXDWVRIRWDNR-UHFFFAOYSA-N
29231
  rxn:3:9:49127:70780,CCOC(Cn1cc(-c2ccc(N3CCCCC3)nn2)nn1)C(=O)NCS(=O)(=O)CC,IKDUKCZQXNIGRV-UHFFFAOYSA-N
29232
+ rxn:1:10551:61488,O=C(NC1CCCCCC1)c1ccc(Cn2cc(CN3CCN(S(=O)(=O)c4cccs4)CC3)nn2)s1,APACTRYYWQOYST-UHFFFAOYSA-N
29233
+ rxn:1:10953:50557,CC1CCCCC1N(Cc1cn(CC2C(c3n[nH]c4nc[nH]c(=O)c34)C2(F)F)nn1)S(C)(=O)=O,VICNGAIGRSNXKE-UHFFFAOYSA-N
29234
+ rxn:1:110:59780,CC(C)c1ccc2c(N)c(-c3cn(C4CCCN(S(=O)(=O)N5CCCCCC5)C4)nn3)sc2n1,DPKROJWKOXGXJV-UHFFFAOYSA-N
29235
+ rxn:1:11170:64426,CC1CCCCC1N(Cc1cn(CC2CC(=O)N(c3ncc(Br)cc3O)C2)nn1)S(=O)(=O)c1cccs1,SMICNPUWWMSYQJ-UHFFFAOYSA-N
29236
+ rxn:1:11170:64427,CC1CCCCC1N(Cc1cn(CC2CC(=O)N(c3ncc(Cl)cc3O)C2)nn1)S(=O)(=O)c1cccs1,DRGMODZPFIEJLG-UHFFFAOYSA-N
29237
+ rxn:1:11245:61260,CC1CCC(N2CC(n3cc(CN(c4ccc5c(c4)OCO5)S(C)(=O)=O)nn3)C2)CC1,BXAADYKWLYBBAK-UHFFFAOYSA-N
29238
+ rxn:1:120:59780,CC(C)c1ccnc2sc(-c3cn(C4CCCN(S(=O)(=O)N5CCCCCC5)C4)nn3)c(N)c12,UEQMXWYZBBHOCC-UHFFFAOYSA-N
29239
+ rxn:1:13491:59779,N#Cc1cnc(NC(=O)c2cccc(-c3cn(C4CCN(S(=O)(=O)N5CCCCCC5)CC4)nn3)c2)nc1,BVJYUMKORRXUPD-UHFFFAOYSA-N
29240
+ rxn:1:14333:59833,O=C(NC1CCC1)c1cncc(-c2cn(S(=O)(=O)NC34CC5CC(CC(C5)C3)C4)nn2)c1,UWPAABNEGVPMQW-UHFFFAOYSA-N
29241
+ rxn:1:1487:65418,Nc1nc(-c2ccc(N3CC(Cn4cc(C5CCCN(S(=O)(=O)C6CC6)C5)nn4)CC3=O)cc2)cs1,CWZKKXXIUOOYSX-UHFFFAOYSA-N
29242
+ rxn:1:15366:49479,O=C(NC1CC1)c1ccnn1-c1ccc(-c2cn(C3CCN(S(=O)(=O)N4CCCC4)CC3)nn2)cc1,DQBFZWQUKIIGAO-UHFFFAOYSA-N
29243
+ rxn:1:15439:59779,O=C(NC1CC1)c1cnn(-c2ccc(-c3cn(C4CCN(S(=O)(=O)N5CCCCCC5)CC4)nn3)cc2)c1,GGMWNNMICQSPIV-UHFFFAOYSA-N
29244
+ rxn:1:15439:59780,O=C(NC1CC1)c1cnn(-c2ccc(-c3cn(C4CCCN(S(=O)(=O)N5CCCCCC5)C4)nn3)cc2)c1,SQKWRJPCNVDZHN-UHFFFAOYSA-N
29245
+ rxn:1:15976:59740,CN(C)Cc1cn(-c2ccc(-c3cn(C4CCCN(S(=O)(=O)C5CC5)C4)nn3)cc2)nc1C1CCC1,FWFDGXXJMZFTDU-UHFFFAOYSA-N
29246
+ rxn:1:16010:49464,CN(C)Cc1cn(-c2ccc(-c3cn(C4CCN(S(=O)(=O)C5CC5)CC4)nn3)cc2)nc1C1CCCC1,RNRFUPQOBXSKSM-UHFFFAOYSA-N
29247
+ rxn:1:16827:49420,CC(C)c1c(-c2cn(C3CCN(CCN)CC3)nn2)cnn1C1CCS(=O)(=O)CC1,OMZRSBHFUXDHEO-UHFFFAOYSA-N
29248
+ rxn:1:16827:60907,CC(C)c1c(-c2cn(CCN(C3CC3)C3CCSC3)nn2)cnn1C1CCS(=O)(=O)CC1,YAZZZHVUPKKRKI-UHFFFAOYSA-N
29249
+ rxn:1:16844:49466,O=C(N=c1sc2cc3c(cc2n1Cc1cn(C2CCN(S(=O)(=O)C4CCCCC4)CC2)nn1)OCO3)c1cnccn1,LKZAKSQQFLRDTH-UHFFFAOYSA-N
29250
+ rxn:1:16844:49479,O=C(N=c1sc2cc3c(cc2n1Cc1cn(C2CCN(S(=O)(=O)N4CCCC4)CC2)nn1)OCO3)c1cnccn1,WYHJLNDYJNSPST-UHFFFAOYSA-N
29251
+ rxn:1:16857:59718,CCS(=O)(=O)c1ccc(-n2ncc(-c3cn(C4CCCN(S(=O)(=O)c5cn(C)c(C)n5)C4)nn3)c2C2CCC2)cc1,JTMCRUKHJIRKSA-UHFFFAOYSA-N
29252
+ rxn:1:17727:60331,CC(C)(C1c2ccccc2OCC2=CNNN21)n1cc(-c2cc(C3CCCCC3)n(C3CCCS(=O)(=O)C3)n2)nn1,RDPVLEBTTHAAPF-UHFFFAOYSA-N
29253
+ rxn:1:18194:49479,Nc1c(C2CCC2)cnn1-c1cccc(OCc2cn(C3CCN(S(=O)(=O)N4CCCC4)CC3)nn2)c1,ZXJGHAYBPYBWNM-UHFFFAOYSA-N
29254
+ rxn:1:18882:49466,CC(c1cc([N+](=O)[O-])ccc1F)n1nccc1-c1cn(C2CCN(S(=O)(=O)C3CCCCC3)CC2)nn1,MPAVWSTZDNFQQO-UHFFFAOYSA-N
29255
+ rxn:1:19979:49627,CCn1cc(C2C(Cn3cc(C4(NS(=O)(=O)c5ccc([N+](=O)[O-])cc5)CCCCC4)nn3)C2(F)F)cn1,KTGVMYPHFPUTEE-UHFFFAOYSA-N
29256
+ rxn:1:20536:60646,CC(C1CCC1)n1nc(C2CC2)cc1-c1cn(C2CCN(S(=O)(=O)c3ccc4c(c3)OCO4)C2)nn1,AXROZGNFDGSSRU-UHFFFAOYSA-N
29257
+ rxn:1:20538:61550,CC(C1CCCCC1)n1nc(C2CC2)cc1-c1cn(Cc2cc(OS(=O)(=O)F)cc(C(=O)O)c2)nn1,DGNVKNYQNQJKJP-UHFFFAOYSA-N
29258
+ rxn:1:20849:60646,CC(C1CC1)n1nc(C2CCC2)cc1-c1cn(C2CCN(S(=O)(=O)c3ccc4c(c3)OCO4)C2)nn1,LBCSJNGTRITXRC-UHFFFAOYSA-N
29259
+ rxn:1:20852:60287,CC(C1CCC1)n1nc(C2CCC2)cc1-c1cn(CC2CCCN2S(=O)(=O)c2cn(C)cn2)nn1,TUOIFNXEBDEYQW-UHFFFAOYSA-N
29260
+ rxn:1:21158:49969,CC(C1CCCOC1)n1nc(C2CCCCC2)cc1-c1cn(-c2ccc3c(c2)S(=O)(=O)C(c2ccccc2)=C3N)nn1,ILYXYZHTPDUBQP-UHFFFAOYSA-N
29261
+ rxn:1:22528:59740,Nc1c(C2CCCCC2)cnn1Cc1cccc(-c2cn(C3CCCN(S(=O)(=O)C4CC4)C3)nn2)c1,DCRNZVBHXCMHQL-UHFFFAOYSA-N
29262
+ rxn:1:22726:59779,Nc1cc(C2CC2)nn1-c1cncc(-c2cn(C3CCN(S(=O)(=O)N4CCCCCC4)CC3)nn2)c1,UQPHZWLDVDJBKG-UHFFFAOYSA-N
29263
+ rxn:1:22779:62297,O=c1ccn(C2CC(n3cc(-c4cncc(-n5nc(C6CCCCC6)cc5I)c4)nn3)C(COP(=O)(O)O)O2)c(=O)[nH]1,VFVZILGWGNNCET-UHFFFAOYSA-N
29264
+ rxn:1:22908:49466,Nc1cc(C2CNC2)nn1-c1cncc(-c2cn(C3CCN(S(=O)(=O)C4CCCCC4)CC3)nn2)c1,BKLGVCHTIITWAU-UHFFFAOYSA-N
29265
+ rxn:1:22908:49480,Nc1cc(C2CNC2)nn1-c1cncc(-c2cn(C3CCN(S(=O)(=O)N4CCOCC4)CC3)nn2)c1,YLPAOEIWPPBWDA-UHFFFAOYSA-N
29266
+ rxn:1:23188:48260,CC12C=CCC1C1CC[C@H]3C[C@@H](n4cc(CC5(C#N)CC(F)(F)C5)nn4)CCC3(C)C1CC2,HPZSAOVHLFVPTD-XUBIQRIJSA-N
29267
+ rxn:1:23477:56295,CC(C)N(C(=O)Cn1cc(CN2C=Nc3ncc(Br)cc3S2(=O)=O)nn1)C1CCCCC1,BXQRREYIYYWMOT-UHFFFAOYSA-N
29268
+ rxn:1:23514:59779,Nc1c(-c2cn(C3CCN(S(=O)(=O)N4CCCCCC4)CC3)nn2)sc2ncc(-c3ccccc3[N+](=O)[O-])cc12,QBNYUMVNGCSLRB-UHFFFAOYSA-N
29269
+ rxn:1:23663:43123,CN(Cc1cn(CC#Cc2ccc(O)c([N+](=O)[O-])c2)nn1)C(=O)[C@@H]1C=C2c3cccc4[nH]c(Br)c(c34)C[C@H]2N(C)C1,LYAGKMMRVPCVCL-HOYKHHGWSA-N
29270
+ rxn:1:27063:59779,Nc1nc(N2CC(c3cn(C4CCN(S(=O)(=O)N5CCCCCC5)CC4)nn3)CC2=O)nc2nc[nH]c12,JNSBJFWYOPSDCO-UHFFFAOYSA-N
29271
+ rxn:1:27063:59780,Nc1nc(N2CC(c3cn(C4CCCN(S(=O)(=O)N5CCCCCC5)C4)nn3)CC2=O)nc2nc[nH]c12,ZEKCMWDYAJUMIW-UHFFFAOYSA-N
29272
+ rxn:1:29012:59833,O=c1c2nccnc2[se]n1C1(c2cn(S(=O)(=O)NC34CC5CC(CC(C5)C3)C4)nn2)CCCCC1,CKJTUPNAAKQNCM-UHFFFAOYSA-N
29273
+ rxn:1:32423:59833,CN1CC(=O)Nc2cc(-c3cn(S(=O)(=O)NC45CC6CC(CC(C6)C4)C5)nn3)ccc2C1,UNZPKGAUZAZGAC-UHFFFAOYSA-N
29274
+ rxn:1:33319:46704,Cc1ccc(C(=O)N2CC(N3CC(N(C)C)C3)C2)cc1-c1cn(CCC=Cc2c(N)ccnc2Cl)nn1,UAZSTLLYGYAWQE-UHFFFAOYSA-N
29275
+ rxn:1:33319:46722,Cc1ccc(C(=O)N2CC(N3CC(N(C)C)C3)C2)cc1-c1cn(CCC=Cc2cc(Br)cnc2O)nn1,SJTKOERNGHFBOH-UHFFFAOYSA-N
29276
+ rxn:1:33569:58153,CC1CCN(S(=O)(=O)NCCn2cc(CN(C3CCCC3)S(=O)(=O)c3cccs3)nn2)CC1,QQWOJQSXAZKNFQ-UHFFFAOYSA-N
29277
+ rxn:1:34442:59833,CC(NC(=O)c1cccc2cc(O)ccc12)c1cn(S(=O)(=O)NC23CC4CC(CC(C4)C2)C3)nn1,YMQJXIAZZQWQMJ-UHFFFAOYSA-N
29278
+ rxn:1:37610:59590,CC(=C(F)B1OC(C)(C)C(C)(C)O1)c1ccc(C(=O)N2CC(n3cc(Cn4ncc([N+](=O)[O-])n4)nn3)C2)s1,VSKCPPROFMLYGG-UHFFFAOYSA-N
29279
+ rxn:1:40440:5000,CCN1CCC2(CC1)CN(Cc1cn(CC=Cc3c[nH]nc3C(=O)OC)nn1)c1ccc(F)cc1N2,OAWQOSOLNCUPAZ-UHFFFAOYSA-N
29280
+ rxn:1:40463:33319,Cc1ccc(C(=O)N2CC(N3CC(N(C)C)C3)C2)cc1-c1cn(CC=Cc2ccc(Cl)c(C#N)c2)nn1,MIUMLLHALRPFIA-UHFFFAOYSA-N
29281
+ rxn:1:42375:29058,CC(CC=C(F)B1OC(C)(C)C(C)(C)O1)c1cn(CC#Cc2nc[nH]c2[N+](=O)[O-])nn1,RIIJFVBUHQHPRQ-UHFFFAOYSA-N
29282
+ rxn:1:42376:29058,CC(CC=C(F)B1OC(C)(C)C(C)(C)O1)c1cn(CC#Cc2nc([N+](=O)[O-])c[nH]2)nn1,ZFBOLMILXNDBOH-UHFFFAOYSA-N
29283
+ rxn:1:42981:6394,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cn(CC#Cc4ncc(Cl)cc4[N+](=O)[O-])nn3)cn2)CC1,XZVNPHLCIPDFLV-UHFFFAOYSA-N
29284
+ rxn:1:43376:29570,CCC12CCC3C4CCC(=O)C=C4CCC3C1C=CC2(OS(=O)(=O)[O-])c1cn(CC#Cc2cnc(-n3ccnc3)nc2)nn1,DZQKBGFQLUZEON-UHFFFAOYSA-M
29285
+ rxn:1:44240:29058,CC(CC=C(F)B1OC(C)(C)C(C)(C)O1)c1cn(CCC#Cc2nc[nH]c2[N+](=O)[O-])nn1,ZJGXIIMJHJYMSZ-UHFFFAOYSA-N
29286
+ rxn:1:44241:29052,CC1(C)OB(C(F)=CCCc2cn(CCC#Cc3nc([N+](=O)[O-])c[nH]3)nn2)OC1(C)C,OUHQHFHALHHTFI-UHFFFAOYSA-N
29287
+ rxn:1:44241:29058,CC(CC=C(F)B1OC(C)(C)C(C)(C)O1)c1cn(CCC#Cc2nc([N+](=O)[O-])c[nH]2)nn1,ZYWZOGMJEHHVNS-UHFFFAOYSA-N
29288
+ rxn:1:44415:29052,CC1(C)OB(C(F)=CCCc2cn(CCC#Cc3cccnc3[N+](=O)[O-])nn2)OC1(C)C,XLZGPMADULHOKY-UHFFFAOYSA-N
29289
+ rxn:1:4599:49466,Nc1c(-c2cccnc2)nc(C2CC2)n1Cc1cn(C2CCN(S(=O)(=O)C3CCCCC3)CC2)nn1,GVDXLRGYQJGPEJ-UHFFFAOYSA-N
29290
+ rxn:1:46830:17836,CC(C)C(=O)c1cc(-c2cn(CC(O)C(O)c3cc(N)[nH]n3)nn2)c2c(c1)C(C1CCCC1)C(=O)N2,ZDTKLTHFKDGIRF-UHFFFAOYSA-N
29291
+ rxn:1:4880:49466,O=c1c2sccc2nc(SCc2cn(C3CCN(S(=O)(=O)C4CCCCC4)CC3)nn2)n1Cc1ccc2c(c1)OCO2,HVDGWHHRDMOIQB-UHFFFAOYSA-N
29292
+ rxn:1:5113:49466,Nc1nc2c(s1)C(c1cccc(OCc3cn(C4CCN(S(=O)(=O)C5CCCCC5)CC4)nn3)c1)CC(O)=N2,VEDFQQVGRRBYBK-UHFFFAOYSA-N
29293
+ rxn:1:5113:59780,Nc1nc2c(s1)C(c1cccc(OCc3cn(C4CCCN(S(=O)(=O)N5CCCCCC5)C4)nn3)c1)CC(O)=N2,LHLUPVRRRLOGKI-UHFFFAOYSA-N
29294
+ rxn:1:51391:5982,COc1ncc(C2C(Cn3cc(-c4nc(N5CCCC5)nc(N5CCCC5)n4)nn3)C2(F)F)c(C)c1[N+](=O)[O-],KICTVECFXQOBKQ-UHFFFAOYSA-N
29295
+ rxn:1:53429:19979,Cc1ncc(C2C(CCn3cc(C4(NS(=O)(=O)c5ccc([N+](=O)[O-])cc5)CCCCC4)nn3)C2(F)F)cn1,OGMQRCQEULVGES-UHFFFAOYSA-N
29296
+ rxn:1:53430:19979,CCn1cc(C2C(CCn3cc(C4(NS(=O)(=O)c5ccc([N+](=O)[O-])cc5)CCCCC4)nn3)C2(F)F)cn1,VKNQGTXKIILXAP-UHFFFAOYSA-N
29297
+ rxn:1:53752:19979,COc1ncc(C2C(CCn3cc(C4(NS(=O)(=O)c5ccc([N+](=O)[O-])cc5)CCCCC4)nn3)C2(F)F)cn1,XCYXPHWWMBKTLX-UHFFFAOYSA-N
29298
+ rxn:1:54370:19979,Nc1ncnc2[nH]nc(C3C(CCn4cc(C5(NS(=O)(=O)c6ccc([N+](=O)[O-])cc6)CCCCC5)nn4)C3(F)F)c12,IPZIELTZNFLEGS-UHFFFAOYSA-N
29299
+ rxn:1:55099:29057,CC1(C)OB(C(F)=CCC(c2cn(-c3nonc3-c3nonc3-c3nonc3[N+](=O)[O-])nn2)C2CC2)OC1(C)C,RMSVHTHQOAGSHU-UHFFFAOYSA-N
29300
+ rxn:1:55099:29570,CCC12CCC3C4CCC(=O)C=C4CCC3C1C=CC2(OS(=O)(=O)[O-])c1cn(-c2nonc2-c2nonc2-c2nonc2[N+](=O)[O-])nn1,XCMNHPRLHSYJEX-UHFFFAOYSA-M
29301
+ rxn:1:58153:8295,CC1CCN(S(=O)(=O)NCCn2cc(C(=O)N3CCCC3c3cccc(-n4ccnc4)n3)nn2)CC1,ZLSAABXANUUFRO-UHFFFAOYSA-N
29302
+ rxn:1:58153:9931,CC1CCN(S(=O)(=O)NCCn2cc(CSc3nc(-c4ccc5c(c4)N(C)C(=O)CO5)cs3)nn2)CC1,XMCQFGYHEIQIAK-UHFFFAOYSA-N
29303
+ rxn:1:60020:34115,Cc1ccc(C(=O)N(C)[C@@H]2CCCC[C@H]2N(C)C)cc1-c1cn(C2C=C(C#N)CC2)nn1,UTPFTOUWYACHAZ-BPAKYRGESA-N
29304
+ rxn:1:60177:23793,CC1(C)OB(c2cnn(C3(c4cn(CCCS(=O)(=O)[O-])nn4)CCOCC3)c2)OC1(C)C,KTIKLVNPKUMTFW-UHFFFAOYSA-M
29305
+ rxn:1:60287:21970,CC(C1CC1)n1nc(C2CCCC2)cc1-c1cn(CC2CCCN2S(=O)(=O)c2cn(C)cn2)nn1,CIDBVLWQRHRMLZ-UHFFFAOYSA-N
29306
+ rxn:1:60300:16844,O=C(N=c1sc2cc3c(cc2n1Cc1cn(C2CCCN(S(=O)(=O)C4CCCCC4)C2)nn1)OCO3)c1cnccn1,QZYPJFNVYJRNTQ-UHFFFAOYSA-N
29307
+ rxn:1:60300:22908,Nc1cc(C2CNC2)nn1-c1cncc(-c2cn(C3CCCN(S(=O)(=O)C4CCCCC4)C3)nn2)c1,OXKSREHIMMGKEV-UHFFFAOYSA-N
29308
+ rxn:1:60300:5113,Nc1nc2c(s1)C(c1cccc(OCc3cn(C4CCCN(S(=O)(=O)C5CCCCC5)C4)nn3)c1)CC(O)=N2,RXGZJVJVVXTDAU-UHFFFAOYSA-N
29309
+ rxn:1:60300:7405,CC(C)c1cnc(-c2cn(C3CCCN(S(=O)(=O)C4CCCCC4)C3)nn2)cc1Oc1cnc(N)nc1N,KNQKIRUOLRUVHA-UHFFFAOYSA-N
29310
+ rxn:1:60301:10066,O=C(NCc1cn(CC2CCCN2S(=O)(=O)C2CCCCC2)nn1)c1cc(=O)c2ccc3cccnc3c2[nH]1,LROAEJAZADGSGN-UHFFFAOYSA-N
29311
+ rxn:1:60304:22908,Nc1cc(C2CNC2)nn1-c1cncc(-c2cn(C3CCCN(S(=O)(=O)N4CCOCC4)C3)nn2)c1,IOIWEHGQQIAKTK-UHFFFAOYSA-N
29312
+ rxn:1:60304:5065,O=c1c2c3c(sc2nc(-c2ccncc2)n1Cc1cn(C2CCCN(S(=O)(=O)N4CCOCC4)C2)nn1)CCCC3,HQMNYNYTBFYIFA-UHFFFAOYSA-N
29313
+ rxn:1:60331:16981,CC(C)(C1c2ccccc2OCC2=CNNN21)n1cc(-c2cnn(C3CCCS(=O)(=O)C3)c2C2CCCCC2)nn1,JLBALUMNOIOQQE-UHFFFAOYSA-N
29314
+ rxn:1:60331:17642,CC(C)(C1c2ccccc2OCC2=CNNN21)n1cc(-c2cc(C3CCCC3)n(C3CCCS(=O)(=O)C3)n2)nn1,GLMQITKYCOLPKJ-UHFFFAOYSA-N
29315
+ rxn:1:60331:18074,CC(C)(C1c2ccccc2OCC2=CNNN21)n1cc(CCNS(=O)(=O)C2CC2)nn1,LHTXOZKGVJZGJI-UHFFFAOYSA-N
29316
+ rxn:1:60645:6204,CC(=O)NC1CCN(c2cc(-c3cn(C4CCN(S(=O)(=O)c5ccc6c(c5)CCO6)C4)nn3)ncn2)C1,ZKUODKMHFCFGON-UHFFFAOYSA-N
29317
+ rxn:1:60912:16827,CC(C)c1c(-c2cn(CCN(C3CCSCC3)C3CC3)nn2)cnn1C1CCS(=O)(=O)CC1,DLMIJIOESWVVGT-UHFFFAOYSA-N
29318
+ rxn:1:60914:23477,CCN(C(=O)Cn1cc(CN2C=Nc3ncc(Br)cc3S2(=O)=O)nn1)C1CCSCC1,UFVNDHCVVOJYCN-UHFFFAOYSA-N
29319
+ rxn:1:61165:31999,CC(=O)NCC(=O)N1CC(n2cc(-c3ncncc3B3OC(C)(C)C(C)(C)O3)nn2)C1,RITJRRVJFNRURR-UHFFFAOYSA-N
29320
+ rxn:1:61262:16857,CCS(=O)(=O)c1ccc(-n2ncc(-c3cn(C4CN(C5CCCCCC5)C4)nn3)c2C2CCC2)cc1,CYTDAZIHRRCHBR-UHFFFAOYSA-N
29321
+ rxn:1:61550:15679,CCC(CC)n1cc(-c2cn(Cc3cc(OS(=O)(=O)F)cc(C(=O)O)c3)nn2)c(C2CCCCC2)n1,ZGIBSUKJNKGMNH-UHFFFAOYSA-N
29322
+ rxn:1:6189:59586,CC1(C)OB(C(F)=C(Cn2cc(COc3ccnc(NN)n3)nn2)c2cccc([N+](=O)[O-])c2)OC1(C)C,VPIUGYQGZDPEJU-UHFFFAOYSA-N
29323
+ rxn:1:61916:23188,C[C@@]12C=CCC1C1CC[C@H]3C[C@@H](n4cc(CC5(C#N)CC(F)(F)C5)nn4)CC[C@]3(C)C1CC2,HPZSAOVHLFVPTD-KUISKUOJSA-N
29324
+ rxn:1:6193:58183,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cn(CCCc4cncc([N+](=O)[O-])c4Cl)nn3)ncn2)CC1,AOZAYBKKXWPUCS-UHFFFAOYSA-N
29325
+ rxn:1:6199:58182,CC(C)(C)OC(=O)N1CCCN(c2cc(-c3cn(CCCc4ncc(Cl)cc4[N+](=O)[O-])nn3)ncn2)CC1,ZRLHCDLPKZUECH-UHFFFAOYSA-N
29326
+ rxn:1:6201:58183,C[C@H]1CN(C(=O)OC(C)(C)C)CCN1c1cc(-c2cn(CCCc3cncc([N+](=O)[O-])c3Cl)nn2)ncn1,IVOVBZNVLBAYQH-INIZCTEOSA-N
29327
+ rxn:1:62279:4161,CN(CC(=O)N1CCNCC1)Cc1cn(-c2ccc3c4c(cccc24)C(=O)N(CCO)C3=O)nn1,COFUPQHTUMIJNT-UHFFFAOYSA-N
29328
+ rxn:1:62279:9904,CC(=O)N1CCC(N(C)Cc2cn(-c3ccc4c5c(cccc35)C(=O)N(CCO)C4=O)nn2)CC1,ODLVFGNEYXZQGT-UHFFFAOYSA-N
29329
+ rxn:1:64575:29420,N#Cc1cc(N2CC(Cn3cc(-c4ccc(N5CCCC5)c(Cl)c4)nn3)CC2=O)ccc1N1CCCC1,INKJCLIZUHAFOM-UHFFFAOYSA-N
29330
+ rxn:1:64575:29745,N#Cc1cc(N2CC(Cn3cc(-c4ccc(Br)cc4N4CCCC4)nn3)CC2=O)ccc1N1CCCC1,HPILRBPEZSALBH-UHFFFAOYSA-N
29331
+ rxn:1:6914:59779,N=C(N)c1cc(-c2ccsc2)nn1Cc1cn(C2CCN(S(=O)(=O)N3CCCCCC3)CC2)nn1,DDVWOAYTFKASKM-UHFFFAOYSA-N
29332
+ rxn:1:7881:59889,CC(C)(C)OC(=O)N1CC(=Cn2cc(C(=O)N3CCN(c4nccs4)CC3)nn2)C1,XCTPNJVSASCEQY-UHFFFAOYSA-N
29333
+ rxn:1:8962:59586,CC1(C)OB(C(F)=C(Cn2cc(COC(=O)Nc3nnc[nH]3)nn2)c2cccc([N+](=O)[O-])c2)OC1(C)C,BKOHMRFPSMAHJR-UHFFFAOYSA-N