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11388 [NH3+]C[C-]1OC(=O)C=C1 C=C1C=CC(=O)O1.N [NH3]CC1=C[CH]C(=O)O1 27.59522
|
11608 [O-]C(=O)CCC1C[NH2+]1 OC(=O)CC[C@H]1CN1 [O]C(=O)CC[C@H]1C[NH2]1 17.95894
|
11609 [O-]C(=O)C[NH2+]C1CC1 OC(=O)CNC1CC1 [O]C(=O)C[NH2]C1CC1 38.74313
|
12916 OC12C[NH2+]C1[C-]2C=O NC[C@@]1(O)C=C1C=O [O]C=C1[C@H]2[C@]1(O)C[NH2]2 41.43630
|
13472 NC(=N)N1CCC1=O NC(=N)N1CCC1=O [NH]C(=[NH2])N1CCC1=O 2.109570
|
13481 [O-]C(=O)C1CNC1=[NH2+] N[C]1[CH]CN1.O=C=O N[C]1NC[C@@H]1C(=O)[O] 19.72847
|
13515 CC1C[NH2+]C1C([O-])=O C[C@H]1CN[C@H]1C(=O)O C[C@H]1C[NH2][C@H]1C(=O)[O] 12.69624
|
13518 CC1[NH2+]CC1C([O-])=O C[C@H]1NC[C@H]1C(=O)O C[C@H]1[NH2]C[C@H]1C(=O)[O] 14.17303
|
13523 C[NH+]1CCC1C([O-])=O CN1CC[C@H]1C(=O)O C[NH]1CC[C@H]1C(=O)[O] 7.714328
|
13527 [NH3+]C1CCC1C([O-])=O N[C@H]1CC[C@H]1C(=O)O [NH3][C@H]1CC[C@H]1C(=O)[O] 14.50756
|
13528 NC1C[NH2+]C1C([O-])=O N[C@H]1CN[C@H]1C(=O)O N[C@H]1C[NH2][C@H]1C(=O)[O] 8.271112
|
13529 [NH3+]C1COC1C([O-])=O N[C@H]1CO[C@H]1C(=O)O [NH3][C@H]1CO[C@H]1C(=O)[O] 9.157536
|
13530 OC1C[NH2+]C1C([O-])=O O[C@H]1CN[C@H]1C(=O)O O[C@H]1C[NH2][C@H]1C(=O)[O] 13.07095
|
13572 CC1CN1C(=N)C#N C[C@H]1CN1[C](C#N)[NH] C[C@H]1CN1C(=N)C#N 5.692722
|
13584 CC1CN1C(=N)C=O C[C@H]1CN1[C](C=O)[NH] C[C@H]1CN1C(=N)C=O 9.034139
|
13759 [O-]C(=O)C1CN1C=[NH2+] O=C1O[C@@H](N2[C@@H]1C2)N N[CH]N1C[C@@H]1C(=O)[O] 37.73520
|
13798 C[NH2+]C1CC1C([O-])=O CN[C@H]1C[C@H]1C(=O)O C[NH2][C@H]1C[C@H]1C(=O)[O] 11.44528
|
13805 [NH3+]CC1CC1C([O-])=O [NH3][CH][C@H]1C[C@H]1C(=O)O [NH3]C[C@H]1C[C@H]1C(=O)[O] 14.50575
|
13806 [NH3+]CC1NC1C([O-])=O NC[C@H]1N[C@H]1C(=O)O [NH3]C[C@H]1N[C@H]1C(=O)[O] 24.78505
|
13807 [NH3+]CC1OC1C([O-])=O NC[C@H]1O[C@H]1C(=O)O [NH3]C[C@H]1O[C@H]1C(=O)[O] 17.53735
|
13840 [O-]C(=O)C1C[NH+]=CN1 OC(=O)[C@H]1CN[CH][N]1 [O]C(=O)[C@H]1CN[CH]N1 14.61775
|
13850 [O-]C(=O)C1CNC=[NH+]1 OC(=O)[C@H]1CN[CH][N]1 [O]C(=O)[C@H]1CN[CH]N1 14.56711
|
13851 [O-]C(=O)C1[NH2+]CC=C1 OC(=O)[C@H]1NCC=C1 [O]C(=O)[C@H]1[NH2]CC=C1 7.052936
|
13858 NC(=N)C1OCCO1 NC(=N)C1OCCO1 [NH]C(=[NH2])C1OCCO1 9.116365
|
13865 [O-]C(=O)C1CCC[NH2+]1 OC(=O)[C@H]1CCCN1 [O]C(=O)[C@H]1CCC[NH2]1 21.82049
|
13866 [O-]C(=O)C1CC[NH2+]C1 OC(=O)[C@@H]1CNCC1 [O]C(=O)[C@@H]1C[NH2]CC1 15.24636
|
13906 CC1C([NH3+])C1C([O-])=O OC(=O)[C@@H]1[C@@H]([C@@H]1C)N [O]C(=O)[C@@H]1[C@@H]([C@@H]1C)[NH3] 9.753000
|
13912 NC1C([NH3+])C1C([O-])=O N[C@@H]1[C@@H]([C@@H]1C(=O)O)N N[C@H]1[C@H]([C@H]1C(=O)[O])[NH3] 19.95110
|
13913 [NH3+]C1C(O)C1C([O-])=O OC(=O)[C@@H]1[C@@H]([C@@H]1N)O [O]C(=O)[C@@H]1[C@@H]([C@@H]1[NH3])O 12.23767
|
14120 [O-]C(=O)C12CC1C[NH2+]2 OC(=O)[C@@]12C[C@H]2CN1 [O]C(=O)[C@@]12C[C@H]2C[NH2]1 23.97378
|
17373 [O-]C(=O)C1[NH2+]C2CC12 OC(=O)[C@H]1N[C@@H]2[C@H]1C2 [O]C(=O)[C@H]1[NH2][C@@H]2[C@H]1C2 6.460271
|
17600 NC(=N)C(=O)C1CC1 O=C(C(=N)N)C1CC1 O=C(C(=[NH2])[NH])C1CC1 9.818017
|
17601 NC(=N)C(=O)C1CN1 NC(=N)C(=O)[C@H]1CN1 [NH]C(=[NH2])C(=O)[C@H]1CN1 8.856169
|
17602 NC(=N)C(=O)C1CO1 NC(=N)C(=O)[C@H]1CO1 [NH]C(=[NH2])C(=O)[C@H]1CO1 8.947804
|
17603 NC(=N)C(=O)N1CC1 O=C(C(=N)N)N1CC1 O=C(C(=[NH2])[NH])N1CC1 5.826132
|
17639 CC(C1C[NH2+]1)C([O-])=O C[C@H](C(=O)O)[C@H]1CN1 C[C@H](C(=O)[O])[C@H]1C[NH2]1 15.44616
|
17649 [NH3+]C(C1CC1)C([O-])=O N[C@H](C(=O)O)C1CC1 [NH3][C@H](C(=O)[O])C1CC1 8.618384
|
17650 [NH3+]C(C1CN1)C([O-])=O N[C@H](C(=O)O)[C@H]1CN1 [NH3][C@H](C(=O)[O])[C@H]1CN1 9.178514
|
17651 [NH3+]C(C1CO1)C([O-])=O N[C@H](C(=O)O)[C@H]1CO1 [NH3][C@H](C(=O)[O])[C@H]1CO1 49.87416
|
17838 [O-]C(=O)C1C2C[NH2+]C12 OC(=O)[C@@H]1[C@H]2[C@@H]1CN2 [O]C(=O)[C@@H]1[C@H]2[C@@H]1C[NH2]2 8.965005
|
20390 C1CC2=C(N1)ON=N2 [N][N][C]1CCNC1=O C1Cc2c(N1)onn2 55.35976
|
20398 C1CC2=C(O1)ON=N2 [N][N][C]1CCOC1=O C1Cc2c(O1)onn2 43.27259
|
20482 C1OC2=C(O1)N=NO2 [N][N][C]1OCOC1=O C1Oc2c(O1)nno2 45.42304
|
20490 C1OCC2=C1ON=N2 [N][N][C]1COCC1=O O1Cc2c(C1)nno2 56.12725
|
20560 CC([NH3+])C1=CN=N[N-]1 C[C@H](c1cnn[nH]1)N C[C@H](c1c[nH]nn1)[NH3] 7.524157
|
20562 CC([NH3+])C1=N[N-]N=N1 C[C@H](c1nnn[nH]1)N C[C@H](c1nnn[nH]1)[NH3] 20.03830
|
20642 CC1=CC(=O)N=NO1 [O][C][CH]C(=O)C.N#N Cc1cc(=O)nno1 51.10098
|
20652 CC1=CC=NNC1=N CC1=C([NH])NN=CC1 Cc1ccn[nH]c1=N 2.392798
|
20662 CC1=CN=NNC1=N CC1CNNNC1[NH] C[C@H]1C=N[N]NC1=N 2.644802
|
20679 CC1=CON=NC1=O [O][C][C](C=O)C.N#N Cc1connc1=O 40.16523
|
20680 CC1=NC(=N)C=NN1 C[C@H]1NN=CC(=N1)[NH] N=c1cn[nH]c(n1)C 38.64268
|
20682 CC1=NC(=N)N=NN1 CC1=N[C@H](N=NN1)[NH] CC1NNNC(N1)[NH] 28.58460
|
20683 CC1=NC(=N)N=NO1 [NH][C][N]C(=O)C.N#N C[C@@H]1ON=NC(=N1)[NH] 60.14249
|
20684 CC1=NC(=N)NN=C1 CC1CNNC(N1)[NH] [NH]C1=N[C@@H](C=NN1)C 2.615339
|
20692 CC1=NC(=O)N=NO1 O=C=NC(=O)C.N#N O=c1nnoc(n1)C 59.08497
|
20718 CC1=NNC(=N)N=C1 [NH]C1NCC(NN1)C CC1=NNC(=NC1)[NH] 2.601521
|
20740 CC1=NNC=NC1=N CC1=NNCN=C1[NH] N=c1nc[nH]nc1C 27.54162
|
20853 CCC1=NOC(=N)O1 CCC1=NO[C@@H](O1)[NH] CCc1noc(=N)o1 23.66659
|
20903 CCN1C=NOC1=N CCN1C=NO[C@@H]1[NH] CCn1cnoc1=N 5.807325
|
20915 CCN1N=COC1=N CCN1[C@@H]([NH])OC=N1 CCn1ncoc1=N 1.894295
|
20923 CCN1N=NNC1=N CCN1[C@@H]([NH])NN=N1 CCn1nn[nH]c1=N 2.158335
|
20925 CCN1N=NOC1=N CCN1[C@@H]([NH])ON=N1 CCn1nnoc1=N 51.70656
|
20983 CN1C(=N)NN=C1O CN1[C@H]([NH])NN=C1O Cn1c(O)n[nH]c1=N 2.840983
|
20984 CN1C(=N)ON=C1C CN1[C@@H]([NH])ON=C1C Cn1c(C)noc1=N 33.64644
|
20985 CN1C(=N)ON=C1N [NH][C@@H]1ON=C(N1C)N Cn1c(N)noc1=N 33.46771
|
20986 CN1C(=N)ON=C1O CN1[C@H]([NH])ON=C1O Cn1c(O)noc1=N 33.36042
|
21017 CN1C=NC(=N)C=N1 CN1CN=C(C=N1)[NH] Cn1cnc(=N)cn1 2.432300
|
21018 CN1C=NC(=N)N=N1 CN1C=N[C@@H](N=N1)[NH] CN1CNC(NN1)[NH] 3.120405
|
21036 CN1N=C(C)OC1=N CC1=NN([C@H](O1)[NH])C Cc1nn(c(=N)o1)C 2.334305
|
21047 CN1N=C(N)OC1=N NC1=NN([C@@H](O1)[NH])C Cn1nc(oc1=N)N 40.66584
|
21056 CN1N=C(O)NC1=N CN1[C@@H]([NH])NC(=N1)O Cn1nc([nH]c1=N)O 2.002673
|
21058 CN1N=C(O)OC1=N CN1[C@@H]([NH])OC(=N1)O Cn1nc(oc1=N)O 2.482487
|
21081 CN1N=CC=CC1=N CN1N=CCC=C1[NH] Cn1ncccc1=N 8.186404
|
21083 CN1N=CC=NC1=N [NH]C1NCCNN1C [NH]C1=NCC=NN1C 24.23958
|
21091 CN1N=NC(=N)N=N1 CN1N=N[C@H](N=N1)[NH] CN1NNC(NN1)[NH] 23.88384
|
21110 CN1N=NC=CC1=N CN1NNCCC1[NH] CN1[N]N=CCC1=N 8.317873
|
21114 CN1N=NN(C)C1=N [NH][C@@H]1N(C)N=NN1C N=c1n(C)nnn1C 10.88747
|
21119 CN=C1C=CON=N1 C[N][C][CH]C=O.N#N C[N]C1=N[N]OC=C1 57.76494
|
21120 CN=C1C=NNC=N1 C[N]C1=NCNN=C1 CN=c1cn[nH]cn1 2.650234
|
21127 CN=C1N=CON=N1 C[N][C][N]C=O.N#N C[N]C1=NCON=N1 48.61319
|
21133 CN=C1NN=CC=C1 C[N]C1=CCC=NN1 CN=c1cccn[nH]1 8.704180
|
21134 CN=C1NN=CC=N1 C[N]C1NCCNN1 C[N]C1=NCC=NN1 8.831757
|
21136 CN=C1NN=NC=C1 C[N]C1CCNNN1 CN=C1CC=N[N]N1 2.652352
|
21165 CNC1=C(N)ON=N1 CN[C](C(=O)N)[N][N] CNc1nnoc1N 49.60676
|
21216 CNC1=NOC(=N)N1 CNC1=NO[C@H](N1)[NH] CNc1noc(=N)[nH]1 41.72114
|
21217 CNC1=NOC(=N)O1 CNC1=NO[C@@H](O1)[NH] CNc1noc(=N)o1 41.10152
|
21282 COC1=NNC(=N)N1 COC1=NN[C@@H](N1)[NH] COc1n[nH]c(=N)[nH]1 1.870085
|
21294 COC1=NOC(=N)O1 COC1=NO[C@H](O1)[NH] COc1noc(=N)o1 25.23179
|
21364 N1C=CC2=C1ON=N2 [N][N]C1=C[CH]NC1=O c1cc2c([nH]1)onn2 55.00212
|
21400 N=C1NC(=N)N=NO1 [NH][C@@H]1O[N]N=C(N1)[NH] [NH]C1NNOC(=N)N1 2.801375
|
21401 N=C1NC(=NO1)C#C [NH][C@H]1NC(=NO1)C#C N=c1onc([nH]1)C#C 5.317770
|
21402 N=C1NC(=NO1)C#N [NH][C@H]1NC(=NO1)C#N N=c1onc([nH]1)C#N 5.222030
|
21409 N=C1NC(C=O)=NO1 [NH][C@@H]1NC(=NO1)C=O N=c1onc([nH]1)C=O 5.195241
|
21410 N=C1NC=NN1C=O [NH][C@H]1NC=NN1C=O N=c1[nH]cnn1C=O 7.729873
|
21415 N=C1NN=C(N1)C#N [NH][C@@H]1NC(=NN1)C#N N=c1[nH]c(n[nH]1)C#N 38.02347
|
21418 N=C1NN=CN1C=O [NH][C@@H]1NN=CN1C=O N=c1[nH]ncn1C=O 2.071618
|
21420 N=C1NN=NC(=N)N1 [NH][C@H]1N[N]N=C(N1)[NH] N=c1nn[nH]c(=N)[nH]1 40.72694
|
21423 N=C1NN=NN1C=O [NH][C@H]1NN=NN1C=O N=c1[nH]nnn1C=O 2.303723
|
21430 N=C1OC=NN1C=O [NH][C@H]1OC=NN1C=O N=c1ocnn1C=O 2.156405
|
21433 N=C1ON=C(O1)C#C [NH][C@@H]1OC(=NO1)C#C N=c1oc(no1)C#C 24.11720
|
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