chaitjo/QM9_ADiT · Datasets at Hugging Face

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131289 OC1=NN(C=O)C(=N)O1 [NH][C@@H]1OC(=NN1C=O)O Oc1nn(c(=N)o1)C=O 48.25873
131344 OC1=NNC(=N)NC1=N [NH][C@@H]1N[N]C(=C(N1)[NH])O Oc1n[nH]c(=N)[nH]c1=N 43.73290
131514 OC1CCC2=C1N=NO2 [N][N][C]1[C@@H](O)CCC1=O O[C@H]1CCc2c1nno2 41.62044
131542 OC1CNC2=C1N=NO2 [N][N][C]1[C@@H](O)CNC1=O O[C@H]1CNc2c1nno2 58.05034
131555 OC1COC2=C1N=NO2 [N][N][C]1[C@@H](O)COC1=O O[C@H]1COc2c1nno2 45.60405
131650 OCC1=CC(=N)NN=C1 [NH]C1=C[C@@H](C=NN1)CO OCc1cc(=N)[nH]nc1 11.70488
131659 OCC1=CC(=O)N=NO1 [O][C][CH]C(=O)CO.N#N OCc1cc(=O)nno1 56.88563
131694 OCC1=CON=NC1=O OC[C](C=O)[C][O].N#N OCc1connc1=O 40.65230
131696 OCC1=NC(=N)N=NO1 [NH][C][N]C(=O)CO.N#N [NH]C1=N[C@H](CO)ON=N1 63.43966
131697 OCC1=NC(=N)NN=C1 [NH]C1NC(CO)CNN1 [NH]C1=N[C@@H](C=NN1)CO 11.83087
131705 OCC1=NC(=O)N=NO1 OCC(=O)N=C=O.N#N OCc1nc(=O)nno1 66.63371
131728 OCC1=NNC(=N)C=C1 [NH]C1=CCC(=NN1)CO OCc1ccc(=N)[nH]n1 50.76613
131730 OCC1=NNC(=N)N=C1 OCC1CNC(NN1)[NH] [NH]C1=NCC(=NN1)CO 11.27374
131796 OCCC1=NOC(=N)O1 [NH][C@@H]1OC(=NO1)CCO OCCc1noc(=N)o1 25.24090
131830 OCCN1C=NOC1=N [NH][C@@H]1ON=CN1CCO OCCn1cnoc1=N 5.782667
131836 OCCN1N=COC1=N [NH][C@H]1OC=NN1CCO OCCn1ncoc1=N 5.046301
131840 OCCN1N=NNC1=N [NH][C@@H]1NN=NN1CCO OCCn1nn[nH]c1=N 6.014156
131842 OCCN1N=NOC1=N [NH][C@H]1ON=NN1CCO OCCn1nnoc1=N 54.88089
131926 N=C1OC=C(O1)N(=O)=O [NH][C@H]1OC=C(O1)N(=O)=O N=c1occ(o1)N(=O)=O 3.223630
131974 NC1=C(N=NO1)N(=O)=O [N][N][C](N(=O)=O)C(=O)N Nc1onnc1N(=O)=O 60.18318
132001 N=C1ON=C(O1)N(=O)=O [NH][C@H]1ON=C(O1)N(=O)=O N=c1onc(o1)N(=O)=O 29.78258
132004 CC1=C(F)C(=N)C=CO1 C[C@@H]1OC=CC(=C1F)[NH] CC1=C(F)C(=CCO1)[NH] 8.929250
132005 CC1=C(F)C(=N)N=CN1 CC1=C(F)C(=NCN1)[NH] C[C@@H]1NC=NC(=C1F)[NH] 2.466759
132012 CC1=C(F)OC=CC1=N FC1=C(C)C(=CCO1)[NH] N=c1ccoc(c1C)F 8.785751
132014 CC1=C(F)OC=NC1=N F[C@@H]1OC=NC(=C1C)[NH] N=c1ncoc(c1C)F 3.041410
132018 NC1=C(F)C(=N)N=CN1 FC1=C(N)NCN=C1[NH] N[C@@H]1NC=NC(=C1F)[NH] 41.94714
132023 NC1=C(F)NC=CC1=N NC1=C(F)NCC=C1[NH] NC1=C([NH])C=CN[C@@H]1F 3.229971
132025 NC1=C(F)NC=NC1=N NC1=C(F)NCN=C1[NH] F[C@H]1NC=NC(=C1N)[NH] 3.039043
132027 NC1=C(F)OC=CC1=N NC1=C(F)OCC=C1[NH] NC1=C([NH])C=CO[C@@H]1F 3.727830
132032 OC1=C(F)NC=CC1=N FC1=C(O)C(=CCN1)[NH] N=c1cc[nH]c(c1O)F 1.938391
132033 FC1=C(F)C(=N)C=CN1 F[C@H]1NC=CC(=C1F)[NH] Fc1c(=N)cc[nH]c1F 1.786509
132034 FC1=C(F)C(=N)C=CO1 F[C@@H]1OC=CC(=C1F)[NH] Fc1c(=N)ccoc1F 2.424771
132036 FC1=C(F)C(=N)N=CO1 F[C@@H]1OC=NC(=C1F)[NH] Fc1c(=N)ncoc1F 36.62047
132051 CC1=C(F)C=COC1=N [NH]C1=C(C)C(=CCO1)F [NH]C1=C(C)[C@H](C=CO1)F 2.916061
132053 CC1=C(F)N=CNC1=N [NH]C1=C(C)[C@@H](N=CN1)F Fc1nc[nH]c(=N)c1C 8.819479
132055 CC1=C(F)N=COC1=N [NH]C1=C(C)[C@@H](N=CO1)F Fc1ncoc(=N)c1C 2.569661
132066 NC1=C(F)C=COC1=N NC1=C([NH])OCC=C1F NC1=C([NH])OC=C[C@@H]1F 37.20462
132072 [O-]C1=C(F)C=CNC1=[NH2+] N[C]1N[CH]C=C(C1=O)F NC1=C([O])[C@H](C=CN1)F 37.25825
132073 FC1=C(F)C(=N)NC=C1 FC1=C([NH])NCC=C1F Fc1c(F)cc[nH]c1=N 2.456571
132074 FC1=C(F)C(=N)NC=N1 [NH]C1=C(F)[C@@H](N=CN1)F Fc1c(F)nc[nH]c1=N 2.484124
132075 OC1=C(F)C=COC1=N [NH]C1=C(O)C(=CCO1)F [NH]C1=C(O)[C@H](C=CO1)F 1.952045
132076 FC1=C(F)C(=N)OC=C1 FC1=C([NH])OCC=C1F Fc1c(F)ccoc1=N 2.657467
132078 OC1=C(F)N=COC1=N [NH]C1=C(O)[C@@H](N=CO1)F Fc1ncoc(=N)c1O 2.624179
132079 FC1=C(F)C(=N)OC=N1 [NH]C1=C(F)[C@H](N=CO1)F Fc1c(F)ncoc1=N 2.762934
132088 CC1=C(F)C=NC(=N)N1 FC1=CN=C(N[C@H]1C)[NH] Cc1c(F)cnc(=N)[nH]1 2.363935
132092 CC1=C(F)N=CC(=N)N1 [NH]C1=CN=C([C@H](N1)C)F Cc1c(F)ncc(=N)[nH]1 1.963789
132112 NC1=C(F)N=CC(=N)N1 [NH]C1=CN=C([C@H](N1)N)F Nc1c(F)ncc(=N)[nH]1 2.143257
132136 OC1=C(F)C=NC(=O)O1 O=C=NC=C(C(=O)O)F Oc1oc(=O)ncc1F 54.53754
132150 CC1=COC(F)=CC1=N F[C@@H]1OC=C(C(=C1)[NH])C Fc1occ(c(=N)c1)C 2.812351
132152 CC1=COC(F)=NC1=N FC1=NC(=C(CO1)C)[NH] Fc1occ(c(=N)n1)C 27.44790
132154 CC1=NC(=N)C(F)=CN1 C[C@H]1NC=C(C(=N1)[NH])F CC1=NC(=C(CN1)F)[NH] 2.218586
132155 CC1=NC(=N)C(F)=CO1 C[C@H]1OC=C(C(=N1)[NH])F CC1=NC(=C(CO1)F)[NH] 2.382920
132169 NC1=[NH+]C(=N)C(F)=C[N-]1 NC1=NCC(=C(N1)[NH])F Nc1ncc(c(=N)[nH]1)F 3.271214
132170 NC1=NC(=N)C(F)=CO1 [NH]C1=N[C@@H](N)OC=C1F Nc1occ(c(=N)n1)F 57.63260
132173 OC1=CNC(F)=CC1=N F[C@H]1NC=C(C(=C1)[NH])O N=c1cc(F)[nH]cc1O 41.80737
132174 FC1=CC(=N)C(F)=CN1 F[C@H]1NC=C(C(=C1)[NH])F Fc1[nH]cc(c(=N)c1)F 2.015604
132175 FC1=CC(=N)C(F)=CO1 F[C@@H]1OC=C(C(=C1)[NH])F Fc1occ(c(=N)c1)F 2.628401
132178 OC1=NC(=N)C(F)=CN1 [NH]C1=N[C@@H](O)NC=C1F OC1=NC(=C(CN1)F)[NH] 2.130494
132179 FC1=NC(=N)C(F)=CN1 FC1=NC(=C(CN1)F)[NH] Fc1[nH]cc(c(=N)n1)F 2.094816
132180 OC1=NC(=N)C(F)=CO1 OC1=NC(=C(CO1)F)[NH] Oc1occ(c(=N)n1)F 2.464497
132181 FC1=NC(=N)C(F)=CO1 FC1=NC(=C(CO1)F)[NH] Fc1occ(c(=N)n1)F 2.964354
132191 CC1=NC(=N)C=C(F)N1 FC1=CC(=N[C@H](N1)C)[NH] F[C@H]1NC(=NC(=C1)[NH])C 2.511707
132193 CC1=NC(=N)N=C(F)N1 C[C@H]1NC(=NC(=N1)[NH])F Cc1[nH]c(F)nc(=N)n1 2.998815
132194 CC1=NC(=N)N=C(F)O1 [NH][C@H]1N=C(C)OC(=N1)F Cc1oc(F)nc(=N)n1 40.29949
132205 NC1=[NH+]C(=N)C=C(F)[N-]1 F[C@@H]1C=C([NH])NC(=N1)N Fc1cc(=N)[nH]c(n1)N 2.916251
132206 NC1=NC(=N)C=C(F)O1 F[C@@H]1OC(=NC(=C1)[NH])N N=c1cc(F)oc(n1)N 3.444229
132207 NC1=NC(=N)N=C(F)N1 N[C@H]1NC(=NC(=N1)[NH])F Nc1[nH]c(F)nc(=N)n1 41.21310
132208 NC1=NC(=N)N=C(F)O1 [NH][C@@H]1N=C(N)OC(=N1)F Nc1oc(F)nc(=N)n1 3.757510
132212 FC1=CC(=N)C=C(F)N1 F[C@H]1NC(=CC(=C1)[NH])F Fc1[nH]c(F)cc(=N)c1 42.98928
132213 FC1=CC(=N)C=C(F)O1 F[C@@H]1OC(=CC(=C1)[NH])F Fc1oc(F)cc(=N)c1 40.46941
132216 FC1=CC(=N)N=C(F)N1 F[C@@H]1NC(=NC(=C1)[NH])F Fc1[nH]c(F)nc(=N)c1 2.308621
132218 OC1=NC(=N)C=C(F)O1 F[C@H]1OC(=NC(=C1)[NH])O N=c1cc(F)oc(n1)O 44.20210
132219 FC1=CC(=N)N=C(F)O1 F[C@H]1OC(=NC(=C1)[NH])F Fc1oc(F)nc(=N)c1 3.776350
132225 OC1=NC(=N)N=C(F)N1 O[C@@H]1NC(=NC(=N1)[NH])F Oc1[nH]c(F)nc(=N)n1 8.109389
132226 OC1=NC(=N)N=C(F)O1 [NH][C@@H]1N=C(O)OC(=N1)F Oc1oc(F)nc(=N)n1 3.955996
132227 FC1=NC(=N)N=C(F)O1 [NH][C@@H]1N=C(F)OC(=N1)F Fc1oc(F)nc(=N)n1 32.53848
132271 CC1=CC(F)=CC(=N)O1 C[C@@H]1OC(=CC(=C1)F)[NH] F[C@@H]1C=C(C)OC(=C1)[NH] 2.537784
132279 CC1=NC(=N)NC(F)=N1 C[C@H]1N=C([NH])NC(=N1)F [NH]C1=NC(=N[C@@H](N1)F)C 30.73386
132281 CC1=NC(=N)OC(F)=N1 C[C@@H]1N=C([NH])OC(=N1)F [NH]C1=NC(=N[C@@H](O1)F)C 4.134853
132284 CC1=NC(F)=CC(=N)N1 [NH]C1=C[C@@H](N=C(N1)C)F Fc1cc(=N)[nH]c(n1)C 39.45749
132285 CC1=NC(F)=CC(=N)O1 [NH]C1=C[C@@H](N=C(O1)C)F Fc1cc(=N)oc(n1)C 39.63558
132288 CC1=NC(F)=NC(=N)N1 C[C@H]1NC(=NC(=N1)F)[NH] F[C@@H]1N=C(C)NC(=N1)[NH] 2.771047
132289 CC1=NC(F)=NC(=N)O1 C[C@@H]1OC(=NC(=N1)F)[NH] F[C@@H]1N=C(C)OC(=N1)[NH] 3.269991
132299 NC1=CC(F)=CC(=N)O1 N[C@H]1OC(=CC(=C1)F)[NH] F[C@H]1C=C([NH])OC(=C1)N 38.71252
132308 NC1=NC(=N)OC(F)=N1 NC(=N[C][NH])[N]C(=O)F N[C@H]1N=C([NH])OC(=N1)F 30.98255
132310 NC1=NC(=O)OC(F)=N1 O=C=NC(=NC(=O)F)N Nc1nc(F)oc(=O)n1 17.32032
132318 OC1=CC(F)=CC(=N)N1 [NH]C1=CC(=C[C@H](N1)O)F Fc1cc(O)[nH]c(=N)c1 2.120650
132320 OC1=CC(F)=CC(=N)O1 [NH]C1=CC(=C[C@@H](O1)O)F F[C@H]1C=C([NH])OC(=C1)O 2.808394
132328 OC1=CC(F)=NC(=O)O1 O=C=NC(=CC(=O)O)F Fc1cc(O)oc(=O)n1 58.38754
132329 FC1=CC(F)=NC(=O)O1 O=C=NC(=CC(=O)F)F Fc1cc(F)oc(=O)n1 48.34044
132330 OC1=NC(F)=CC(=N)N1 [NH]C1=C[C@@H](N=C(N1)O)F Fc1cc(=N)[nH]c(n1)O 2.336509
132331 FC1=CC(=N)NC(F)=N1 [NH]C1=C[C@@H](N=C(N1)F)F Fc1nc(F)[nH]c(=N)c1 2.683738
132332 OC1=NC(F)=CC(=N)O1 [NH]C1=C[C@@H](N=C(O1)O)F Fc1cc(=N)oc(n1)O 3.156211
132334 FC1=CC(=N)OC(F)=N1 [NH]C1=C[C@H](N=C(O1)F)F Fc1nc(F)oc(=N)c1 3.564183
132340 OC1=NC(F)=NC(=N)O1 [NH]C1=NC(=N[C@@H](O1)O)F F[C@H]1N=C([NH])OC(=N1)O 3.979825
132341 OC1=NC(=N)OC(F)=N1 [NH][C]N=C([N]C(=O)F)O O[C@H]1N=C([NH])OC(=N1)F 18.15518
132342 FC1=NC(F)=NC(=N)O1 [NH][C][N]C(=NC(=O)F)F F[C@H]1N=C([NH])OC(=N1)F 18.06368
132343 OC1=NC(F)=NC(=O)O1 O=C=[N]=C([N]C(=O)O)F Fc1nc(O)oc(=O)n1 49.53641
132344 OC1=NC(=O)OC(F)=N1 O=C=[N]=C([N]C(=O)F)O Oc1nc(F)oc(=O)n1 46.34511
132345 FC1=NC(F)=NC(=O)O1 O=C=[N]=C([N]C(=O)F)F Fc1nc(F)oc(=O)n1 47.08906

131289 OC1=NN(C=O)C(=N)O1 [NH][C@@H]1OC(=NN1C=O)O Oc1nn(c(=N)o1)C=O 48.25873

131344 OC1=NNC(=N)NC1=N [NH][C@@H]1N[N]C(=C(N1)[NH])O Oc1n[nH]c(=N)[nH]c1=N 43.73290

131514 OC1CCC2=C1N=NO2 [N][N][C]1[C@@H](O)CCC1=O O[C@H]1CCc2c1nno2 41.62044

131542 OC1CNC2=C1N=NO2 [N][N][C]1[C@@H](O)CNC1=O O[C@H]1CNc2c1nno2 58.05034

131555 OC1COC2=C1N=NO2 [N][N][C]1[C@@H](O)COC1=O O[C@H]1COc2c1nno2 45.60405

131650 OCC1=CC(=N)NN=C1 [NH]C1=C[C@@H](C=NN1)CO OCc1cc(=N)[nH]nc1 11.70488

131659 OCC1=CC(=O)N=NO1 [O][C][CH]C(=O)CO.N#N OCc1cc(=O)nno1 56.88563

131694 OCC1=CON=NC1=O OC[C](C=O)[C][O].N#N OCc1connc1=O 40.65230

131696 OCC1=NC(=N)N=NO1 [NH][C][N]C(=O)CO.N#N [NH]C1=N[C@H](CO)ON=N1 63.43966

131697 OCC1=NC(=N)NN=C1 [NH]C1NC(CO)CNN1 [NH]C1=N[C@@H](C=NN1)CO 11.83087

131705 OCC1=NC(=O)N=NO1 OCC(=O)N=C=O.N#N OCc1nc(=O)nno1 66.63371

131728 OCC1=NNC(=N)C=C1 [NH]C1=CCC(=NN1)CO OCc1ccc(=N)[nH]n1 50.76613

131730 OCC1=NNC(=N)N=C1 OCC1CNC(NN1)[NH] [NH]C1=NCC(=NN1)CO 11.27374

131796 OCCC1=NOC(=N)O1 [NH][C@@H]1OC(=NO1)CCO OCCc1noc(=N)o1 25.24090

131830 OCCN1C=NOC1=N [NH][C@@H]1ON=CN1CCO OCCn1cnoc1=N 5.782667

131836 OCCN1N=COC1=N [NH][C@H]1OC=NN1CCO OCCn1ncoc1=N 5.046301

131840 OCCN1N=NNC1=N [NH][C@@H]1NN=NN1CCO OCCn1nn[nH]c1=N 6.014156

131842 OCCN1N=NOC1=N [NH][C@H]1ON=NN1CCO OCCn1nnoc1=N 54.88089

131926 N=C1OC=C(O1)N(=O)=O [NH][C@H]1OC=C(O1)N(=O)=O N=c1occ(o1)N(=O)=O 3.223630

131974 NC1=C(N=NO1)N(=O)=O [N][N][C](N(=O)=O)C(=O)N Nc1onnc1N(=O)=O 60.18318

132001 N=C1ON=C(O1)N(=O)=O [NH][C@H]1ON=C(O1)N(=O)=O N=c1onc(o1)N(=O)=O 29.78258

132004 CC1=C(F)C(=N)C=CO1 C[C@@H]1OC=CC(=C1F)[NH] CC1=C(F)C(=CCO1)[NH] 8.929250

132005 CC1=C(F)C(=N)N=CN1 CC1=C(F)C(=NCN1)[NH] C[C@@H]1NC=NC(=C1F)[NH] 2.466759

132012 CC1=C(F)OC=CC1=N FC1=C(C)C(=CCO1)[NH] N=c1ccoc(c1C)F 8.785751

132014 CC1=C(F)OC=NC1=N F[C@@H]1OC=NC(=C1C)[NH] N=c1ncoc(c1C)F 3.041410

132018 NC1=C(F)C(=N)N=CN1 FC1=C(N)NCN=C1[NH] N[C@@H]1NC=NC(=C1F)[NH] 41.94714

132023 NC1=C(F)NC=CC1=N NC1=C(F)NCC=C1[NH] NC1=C([NH])C=CN[C@@H]1F 3.229971

132025 NC1=C(F)NC=NC1=N NC1=C(F)NCN=C1[NH] F[C@H]1NC=NC(=C1N)[NH] 3.039043

132027 NC1=C(F)OC=CC1=N NC1=C(F)OCC=C1[NH] NC1=C([NH])C=CO[C@@H]1F 3.727830

132032 OC1=C(F)NC=CC1=N FC1=C(O)C(=CCN1)[NH] N=c1cc[nH]c(c1O)F 1.938391

132033 FC1=C(F)C(=N)C=CN1 F[C@H]1NC=CC(=C1F)[NH] Fc1c(=N)cc[nH]c1F 1.786509

132034 FC1=C(F)C(=N)C=CO1 F[C@@H]1OC=CC(=C1F)[NH] Fc1c(=N)ccoc1F 2.424771

132036 FC1=C(F)C(=N)N=CO1 F[C@@H]1OC=NC(=C1F)[NH] Fc1c(=N)ncoc1F 36.62047

132051 CC1=C(F)C=COC1=N [NH]C1=C(C)C(=CCO1)F [NH]C1=C(C)[C@H](C=CO1)F 2.916061

132053 CC1=C(F)N=CNC1=N [NH]C1=C(C)[C@@H](N=CN1)F Fc1nc[nH]c(=N)c1C 8.819479

132055 CC1=C(F)N=COC1=N [NH]C1=C(C)[C@@H](N=CO1)F Fc1ncoc(=N)c1C 2.569661

132066 NC1=C(F)C=COC1=N NC1=C([NH])OCC=C1F NC1=C([NH])OC=C[C@@H]1F 37.20462

132072 [O-]C1=C(F)C=CNC1=[NH2+] N[C]1N[CH]C=C(C1=O)F NC1=C([O])[C@H](C=CN1)F 37.25825

132073 FC1=C(F)C(=N)NC=C1 FC1=C([NH])NCC=C1F Fc1c(F)cc[nH]c1=N 2.456571

132074 FC1=C(F)C(=N)NC=N1 [NH]C1=C(F)[C@@H](N=CN1)F Fc1c(F)nc[nH]c1=N 2.484124

132075 OC1=C(F)C=COC1=N [NH]C1=C(O)C(=CCO1)F [NH]C1=C(O)[C@H](C=CO1)F 1.952045

132076 FC1=C(F)C(=N)OC=C1 FC1=C([NH])OCC=C1F Fc1c(F)ccoc1=N 2.657467

132078 OC1=C(F)N=COC1=N [NH]C1=C(O)[C@@H](N=CO1)F Fc1ncoc(=N)c1O 2.624179

132079 FC1=C(F)C(=N)OC=N1 [NH]C1=C(F)[C@H](N=CO1)F Fc1c(F)ncoc1=N 2.762934

132088 CC1=C(F)C=NC(=N)N1 FC1=CN=C(N[C@H]1C)[NH] Cc1c(F)cnc(=N)[nH]1 2.363935

132092 CC1=C(F)N=CC(=N)N1 [NH]C1=CN=C([C@H](N1)C)F Cc1c(F)ncc(=N)[nH]1 1.963789

132112 NC1=C(F)N=CC(=N)N1 [NH]C1=CN=C([C@H](N1)N)F Nc1c(F)ncc(=N)[nH]1 2.143257

132136 OC1=C(F)C=NC(=O)O1 O=C=NC=C(C(=O)O)F Oc1oc(=O)ncc1F 54.53754

132150 CC1=COC(F)=CC1=N F[C@@H]1OC=C(C(=C1)[NH])C Fc1occ(c(=N)c1)C 2.812351

132152 CC1=COC(F)=NC1=N FC1=NC(=C(CO1)C)[NH] Fc1occ(c(=N)n1)C 27.44790

132154 CC1=NC(=N)C(F)=CN1 C[C@H]1NC=C(C(=N1)[NH])F CC1=NC(=C(CN1)F)[NH] 2.218586

132155 CC1=NC(=N)C(F)=CO1 C[C@H]1OC=C(C(=N1)[NH])F CC1=NC(=C(CO1)F)[NH] 2.382920

132169 NC1=[NH+]C(=N)C(F)=C[N-]1 NC1=NCC(=C(N1)[NH])F Nc1ncc(c(=N)[nH]1)F 3.271214

132170 NC1=NC(=N)C(F)=CO1 [NH]C1=N[C@@H](N)OC=C1F Nc1occ(c(=N)n1)F 57.63260

132173 OC1=CNC(F)=CC1=N F[C@H]1NC=C(C(=C1)[NH])O N=c1cc(F)[nH]cc1O 41.80737

132174 FC1=CC(=N)C(F)=CN1 F[C@H]1NC=C(C(=C1)[NH])F Fc1[nH]cc(c(=N)c1)F 2.015604

132175 FC1=CC(=N)C(F)=CO1 F[C@@H]1OC=C(C(=C1)[NH])F Fc1occ(c(=N)c1)F 2.628401

132178 OC1=NC(=N)C(F)=CN1 [NH]C1=N[C@@H](O)NC=C1F OC1=NC(=C(CN1)F)[NH] 2.130494

132179 FC1=NC(=N)C(F)=CN1 FC1=NC(=C(CN1)F)[NH] Fc1[nH]cc(c(=N)n1)F 2.094816

132180 OC1=NC(=N)C(F)=CO1 OC1=NC(=C(CO1)F)[NH] Oc1occ(c(=N)n1)F 2.464497

132181 FC1=NC(=N)C(F)=CO1 FC1=NC(=C(CO1)F)[NH] Fc1occ(c(=N)n1)F 2.964354

132191 CC1=NC(=N)C=C(F)N1 FC1=CC(=N[C@H](N1)C)[NH] F[C@H]1NC(=NC(=C1)[NH])C 2.511707

132193 CC1=NC(=N)N=C(F)N1 C[C@H]1NC(=NC(=N1)[NH])F Cc1[nH]c(F)nc(=N)n1 2.998815

132194 CC1=NC(=N)N=C(F)O1 [NH][C@H]1N=C(C)OC(=N1)F Cc1oc(F)nc(=N)n1 40.29949

132205 NC1=[NH+]C(=N)C=C(F)[N-]1 F[C@@H]1C=C([NH])NC(=N1)N Fc1cc(=N)[nH]c(n1)N 2.916251

132206 NC1=NC(=N)C=C(F)O1 F[C@@H]1OC(=NC(=C1)[NH])N N=c1cc(F)oc(n1)N 3.444229

132207 NC1=NC(=N)N=C(F)N1 N[C@H]1NC(=NC(=N1)[NH])F Nc1[nH]c(F)nc(=N)n1 41.21310

132208 NC1=NC(=N)N=C(F)O1 [NH][C@@H]1N=C(N)OC(=N1)F Nc1oc(F)nc(=N)n1 3.757510

132212 FC1=CC(=N)C=C(F)N1 F[C@H]1NC(=CC(=C1)[NH])F Fc1[nH]c(F)cc(=N)c1 42.98928

132213 FC1=CC(=N)C=C(F)O1 F[C@@H]1OC(=CC(=C1)[NH])F Fc1oc(F)cc(=N)c1 40.46941

132216 FC1=CC(=N)N=C(F)N1 F[C@@H]1NC(=NC(=C1)[NH])F Fc1[nH]c(F)nc(=N)c1 2.308621

132218 OC1=NC(=N)C=C(F)O1 F[C@H]1OC(=NC(=C1)[NH])O N=c1cc(F)oc(n1)O 44.20210

132219 FC1=CC(=N)N=C(F)O1 F[C@H]1OC(=NC(=C1)[NH])F Fc1oc(F)nc(=N)c1 3.776350

132225 OC1=NC(=N)N=C(F)N1 O[C@@H]1NC(=NC(=N1)[NH])F Oc1[nH]c(F)nc(=N)n1 8.109389

132226 OC1=NC(=N)N=C(F)O1 [NH][C@@H]1N=C(O)OC(=N1)F Oc1oc(F)nc(=N)n1 3.955996

132227 FC1=NC(=N)N=C(F)O1 [NH][C@@H]1N=C(F)OC(=N1)F Fc1oc(F)nc(=N)n1 32.53848

132271 CC1=CC(F)=CC(=N)O1 C[C@@H]1OC(=CC(=C1)F)[NH] F[C@@H]1C=C(C)OC(=C1)[NH] 2.537784

132279 CC1=NC(=N)NC(F)=N1 C[C@H]1N=C([NH])NC(=N1)F [NH]C1=NC(=N[C@@H](N1)F)C 30.73386

132281 CC1=NC(=N)OC(F)=N1 C[C@@H]1N=C([NH])OC(=N1)F [NH]C1=NC(=N[C@@H](O1)F)C 4.134853

132284 CC1=NC(F)=CC(=N)N1 [NH]C1=C[C@@H](N=C(N1)C)F Fc1cc(=N)[nH]c(n1)C 39.45749

132285 CC1=NC(F)=CC(=N)O1 [NH]C1=C[C@@H](N=C(O1)C)F Fc1cc(=N)oc(n1)C 39.63558

132288 CC1=NC(F)=NC(=N)N1 C[C@H]1NC(=NC(=N1)F)[NH] F[C@@H]1N=C(C)NC(=N1)[NH] 2.771047

132289 CC1=NC(F)=NC(=N)O1 C[C@@H]1OC(=NC(=N1)F)[NH] F[C@@H]1N=C(C)OC(=N1)[NH] 3.269991

132299 NC1=CC(F)=CC(=N)O1 N[C@H]1OC(=CC(=C1)F)[NH] F[C@H]1C=C([NH])OC(=C1)N 38.71252

132308 NC1=NC(=N)OC(F)=N1 NC(=N[C][NH])[N]C(=O)F N[C@H]1N=C([NH])OC(=N1)F 30.98255

132310 NC1=NC(=O)OC(F)=N1 O=C=NC(=NC(=O)F)N Nc1nc(F)oc(=O)n1 17.32032

132318 OC1=CC(F)=CC(=N)N1 [NH]C1=CC(=C[C@H](N1)O)F Fc1cc(O)[nH]c(=N)c1 2.120650

132320 OC1=CC(F)=CC(=N)O1 [NH]C1=CC(=C[C@@H](O1)O)F F[C@H]1C=C([NH])OC(=C1)O 2.808394

132328 OC1=CC(F)=NC(=O)O1 O=C=NC(=CC(=O)O)F Fc1cc(O)oc(=O)n1 58.38754

132329 FC1=CC(F)=NC(=O)O1 O=C=NC(=CC(=O)F)F Fc1cc(F)oc(=O)n1 48.34044

132330 OC1=NC(F)=CC(=N)N1 [NH]C1=C[C@@H](N=C(N1)O)F Fc1cc(=N)[nH]c(n1)O 2.336509

132331 FC1=CC(=N)NC(F)=N1 [NH]C1=C[C@@H](N=C(N1)F)F Fc1nc(F)[nH]c(=N)c1 2.683738

132332 OC1=NC(F)=CC(=N)O1 [NH]C1=C[C@@H](N=C(O1)O)F Fc1cc(=N)oc(n1)O 3.156211

132334 FC1=CC(=N)OC(F)=N1 [NH]C1=C[C@H](N=C(O1)F)F Fc1nc(F)oc(=N)c1 3.564183

132340 OC1=NC(F)=NC(=N)O1 [NH]C1=NC(=N[C@@H](O1)O)F F[C@H]1N=C([NH])OC(=N1)O 3.979825

132341 OC1=NC(=N)OC(F)=N1 [NH][C]N=C([N]C(=O)F)O O[C@H]1N=C([NH])OC(=N1)F 18.15518

132342 FC1=NC(F)=NC(=N)O1 [NH][C][N]C(=NC(=O)F)F F[C@H]1N=C([NH])OC(=N1)F 18.06368

132343 OC1=NC(F)=NC(=O)O1 O=C=[N]=C([N]C(=O)O)F Fc1nc(O)oc(=O)n1 49.53641

132344 OC1=NC(=O)OC(F)=N1 O=C=[N]=C([N]C(=O)F)O Oc1nc(F)oc(=O)n1 46.34511

132345 FC1=NC(F)=NC(=O)O1 O=C=[N]=C([N]C(=O)F)F Fc1nc(F)oc(=O)n1 47.08906