1846
*6 N1C=NN=N1    6.214
*17 NC(=O)NO   10.266
*30 NC(S(O)(=O)=O)S(O)(=O)=O   15.983
*61 CC([N+]([O-])=O)[N+]([O-])=O    7.495
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*226 NC1=NC(=NC(=N1)S)S    4.668
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*242 OCCC#N    8.830
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*295 CC=NC(N)=S    3.873
*297 CCC1=NN=NN1    6.048
*301 NC(=O)NC(=O)NC(N)=O   17.910
*323 C1OCOCO1    6.706
*328 OC[CH](O)C(O)=O    8.382
*331 OC(=O)CCS(O)(=O)=O   12.907
*334 SCC=C    2.465
*338 NCC=C    5.002
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*362 CC(=O)NCS(O)(=O)=O   11.708
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*383 CCC(=O)NN   10.208
*393 CNC(=S)NC    6.119
*395 NNC(=O)CC(=O)NN   16.328
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*422 CS(=O)(=O)CS(C)(=O)=O    9.277
*428 C[CH](O)CN    9.312
*440 CCC1(C)NN1    4.767
*457 C[CH](CO)OC(=O)NN   13.971
*495 CCCOS(C)(=O)=O    5.149
*535 CN(C)CCS(O)(=O)=O   11.081
*563 N#CC=CC#N    6.513
*579 OC(=O)C1=NC(=NC(=N1)O)O   18.580
*584 OC1=C2N=NNC2=NC=N1   14.082
*587 N=C1N=CN=C2NSN=C12    8.194
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*715 CC1=NNC(=O)C1    7.757
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*746 NC(=O)C1=C(N)NN=C1   15.271
*763 NC1=NC(=C(N)C(=N1)N=O)N   14.321
*764 NNC1=C(C(=NC=N1)N)[N+]([O-])=O   14.541
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*821 S=C1SCCCS1    5.503
*832 O=C1CCNC1    7.007
*836 O=C1CSCCN1    9.936
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*945 CC1OCCO1    4.529
*957 O=S1CCOCC1    9.469
*965 CC(=O)OCCO    8.070
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*1097 CNS(=O)(=O)C1=C(N)N=CN1C   11.312
*1116 CC(C)(C)OC(S)=S    4.338
*1159 OC[CH](O)[CH](O)[CH](O)C=O    8.917
*1201 CNC(=O)OC(C)C    6.815
*1218 CO[CH](C)[CH](N)C(O)=O   10.635
*1226 C[CH](O)C(C)(C)[N+]([O-])=O    8.321
*1235 N[CH]1O[CH](CO)[CH](O)[CH]1O   13.951
*1253 OCCN1CNC(=O)NC1   11.851
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*1315 CC(C)CCS(O)(=O)=O    7.408
*1329 O[CH](CCC[CH](O)S(O)(=O)=O)S(O)(=O)=O   20.049
*1370 NCCCCCN    8.616
*1392 [O-][N+](=O)C1=CC=NC=C1    7.556
*1400 OC1=C(C=NC=C1)[N+]([O-])=O    8.039
*1421 OC1=C2C=NNC2=NC(=N1)S   13.116
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*1453 NC1=C2NC(=S)SC2=NC=N1   10.044
*1483 CC1=CC=C(O1)[N+]([O-])=O    4.631
*1484 OCN1C(=O)C=CC1=O   10.996
*1485 ONC(=O)C1=CC=CO1   11.354
*1487 OS(=O)(=O)C1=CC=CC=N1    9.893
*1491 OS(=O)(=O)C1=CC=[N+]([O-])C=C1   16.483
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*1569 CN1C(=O)NC=CC1=O    9.721
*1580 CC1C(=O)NC(=O)NC1=O   12.812
*1604 CN1C=NC2=NC=NS(=C12)(O)=O   12.080
*1608 NNC(=O)C1=CC(=NC(=N1)O)O   22.265
*1632 CC1=CCC(=O)O1    3.022
*1689 CC1=CC(=NC(=N1)O)N   12.928
*1700 CC1=C(N)C(=NC(=N1)O)O   16.910
*1735 CN1CCC(=O)NC1=O    9.640
*1743 CC(CC=C)([N+]([O-])=O)[N+]([O-])=O    7.254
*1761 CSC1=NC(=CC(=N1)N)N   12.384
*1766 CC(C)(O)C#C    5.983
*1799 CCC=CC(O)=O    6.221
*1815 C[CH](CC(O)=O)C(O)=O   11.144
*1828 N[CH]1CCCC1=O    7.102
*1843 O=CN1CCOCC1    9.296
*1845 N[CH](CC=C)C(O)=O    8.708
*1852 CN(C)C(=S)SCC(O)=O    9.061
*1853 COC(=O)CCSC(N)=S    7.116
*1859 CCOC(=O)CC(N)=O   10.451
*1886 NC(=N)N[CH](CC(O)=O)C(O)=O   19.124
*1897 NC1=NC(=NC(=N1)N)SCCO   13.530
*1904 N#CCN1CCCC1    7.928
*1928 CCOC(=O)N=NC(=O)OCC    4.752
*1957 O=CC1CCCC1    4.032
*1967 CCC(C)=CC(O)=O    6.026
*1968 CCOC(=O)C=CC    3.717
*1999 CC1(C)COC(=O)[CH]1O    4.550
*2052 OC(=O)CCS(=O)(=O)CCC(O)=O   15.216
*2077 OC[CH](C=C)N1CC1    8.987
*2098 CC(C)N1CCOC1=O    6.830
*2123 N[CH](CCC(O)=O)CC(O)=O   15.009
*2133 OC(=O)CCNCCC(O)=O   14.790
*2138 CC(C)(CCO[N+]([O-])=O)C(O)=O    8.339
*2143 CC(=C)CNC(C)=S    4.536
*2156 C1CCN(CC1)C2=NN=NN2    8.000
*2160 CN1C(=O)N[CH](NC(N)=O)[CH](N)C1=O   20.991
*2162 CC=CC(C)C    0.374
*2172 CCC(=O)NN=C(C)C    7.155
*2177 CC(NC(C)=O)NC(C)=O    8.264
*2213 C[CH]1CNCCN1C(S)=S    7.166
*2224 C[CH]1C[CH](NC(N)=O)NC(=O)N1   17.527
*2242 C[CH]1CSC[CH](C)O1    5.023
*2252 O[CH](CC=C([CH](O)S(O)(=O)=O)[CH](O)S(O)(=O)=O)S(O)(=O)=O   28.113
*2308 COC(=O)CCSCCO    9.917
*2309 C[CH]1CC(C)(C)S(=O)(=O)O1    5.258
*2339 CS(=O)(=O)OCCOC(=O)COS(C)(=O)=O   11.306
*2340 CC(C)CSC(C)=S    2.807
*2372 CCN(CC)COC(S)=S    6.466
*2376 CN(C)CCOC(C)=O    6.939
*2382 CCN(CC)CC(O)=O    8.020
*2388 CCC[C](C)(N)C(O)=O    8.457
*2394 CCOC(=O)NC(C)C    6.693
*2414 CC[CH](O)C(C)(C)[N+]([O-])=O    8.197
*2429 C[CH](O)[CH](O)[CH](O)[CH](O)C=NO   13.487
*2444 CC(C)C(C)=NNC(N)=O    8.519
*2464 C[CH]1CN[CH](C)CN1    8.411
*2484 CC[CH](C)[CH](NN)C(O)=O   10.836
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*2511 CNC(=N)SCCSC(=N)NC   15.292
*2513 CCOC(C)(C)C    2.572
*2532 C[CH](O)C[CH](C)CO    6.391
*2540 C[CH](O)COC[CH](C)O    8.446
*2556 CS(=O)(=O)OCCCCOS(C)(=O)=O    9.287
*2587 C[CH](CCO)N(C)C    8.506
*2593 CC(C)N(C)CCO    8.506
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*2627 CS(=O)(=O)NCCCCNS(C)(=O)=O    9.165
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*2662 OC1=CC(=O)C(=CC1=O)O    5.728
*2707 OC1=C2N=CNC2=CC=N1   13.302
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*2763 CC(=O)C1=C(O)N=C(O)N=C1   13.140
*2781 NC1=CC=C(C=C1[N+]([O-])=O)S(O)(=O)=O   13.115
*2803 CN1N=CC2=C(O)N=C(S)N=C12   11.788
*2815 CN1C=NC2=C(O)N=C(O)N=C12   16.338
*2855 CSC1=C2N=CNC2=C(S)N=N1    9.078
*2865 CC1=C(O)C(=O)C=C1    4.873
*2869 OC1=CC(=CC(=C1)O)O   14.217
*2877 OCC1=CC=C(O1)C=O    9.267
*2899 CC1=CC=CN=C1    5.109
*2906 CN1C=CC=CC1=O    7.604
*2912 CC1=CC=C(O)C=N1    9.092
*2915 OCC1=CC=NC=C1    9.545
*2950 NC1=C(O)C=CC(=C1)S(O)(=O)=O   16.034
*2951 O[CH](C1=CC=NC=C1)S(O)(=O)=O   16.312
*3000 NNS(=O)(=O)C1=CC=C(C=C1)[N+]([O-])=O   11.157
*3058 CC1=CC(=NC(=N1)O)C    9.432
*3064 CC1=NC(=C(S1)C(N)=O)C   11.717
*3087 NC1=C(C=CC=C1)S(N)(=O)=O    9.827
*3088 CCOC(=O)C1=CSC(=N)N1    9.385
*3092 CC[C]1(NC(=O)NC1=O)C=O   11.593
*3104 NNC1=C(C=CC=C1)S(O)(=O)=O   14.429
*3115 N#CCCSCCC#N    9.623
*3157 CCOC(=S)SCC#C    5.767
*3172 CC(=O)[CH]1CCOC1=O    7.161
*3210 CC=CC=CC=NO    4.939
*3225 CCCOC(=O)CSC#N    6.735
*3234 ON=C1CC[CH](C1)C(O)=O   10.346
*3243 CC1=CC(=NC(=N1)N)C    5.351
*3250 NC1=CC(=CC(=C1)N)N   12.623
*3297 CC1=C(NN)C=CC=C1    8.057
*3310 C[N+]1=CC=CC=C1C=NO   14.001
*3312 CC(=O)C1=C(C)NN=C1C    8.087
*3326 CC1=CC=C(C=C1)S(=O)(=O)NN    8.710
*3340 OCCCC=C1NC(=O)NC1=O   12.757
*3353 CCOC(=O)C=CC(=O)NC(N)=O   12.947
*3423 C[CH]1C[CH](C(C)=O)C(=O)O1    7.038
*3466 [O-][N+](=O)CC1=CCCCC1    3.975
*3467 [O-][N+](=O)[CH]1C[CH]2CC[CH]1C2    4.349
*3470 CCCCOC(=O)CC#N    6.770
*3476 CC(C)(C)OC(=O)CSC#N    6.613
*3488 CC(C)NC(=O)C=CC(O)=O   12.971
*3495 OC[CH]1O[CH]2NC(=S)O[CH]2[CH](O)[CH]1O   14.788
*3496 N[CH](COC(=O)CCC(O)=O)C(O)=O   16.455
*3502 CC1=CC(C)(C)SC(=S)N1    3.873
*3504 CC(C)CC1=CSC(=S)N1    3.420
*3549 COC(OC)[C]1(C)NC(=O)NC1=O   11.721
*3570 CCC[C](C)(O)C#C    5.738
*3584 OC[CH]1CCCCC1=O    8.606
*3586 OC(=O)C1CCCCC1    6.002
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*3639 OC[CH]1OCO[CH]2COCO[CH]12   13.061
*3648 OC[CH](O)[CH](O)[CH]1OC(=O)[CH](O)[CH]1O   10.174
*3667 C[CH](O)C(=O)NCC(C)=C    7.979
*3674 C[CH]1C[CH](N[CH]1C)C(O)=O    8.471
*3685 COC(=O)N1CCCCC1    6.706
*3694 CCOC(=O)N1CCOCC1    8.759
*3695 CCOC(=O)CCC(C)=NO    7.485
*3720 NC(=O)NN=C1CCCCC1    8.752
*3726 C[CH](N)C(=O)NCC(=O)NCC(O)=O   15.979
*3728 NC(=S)NN=C1CCCCC1    6.115
*3729 CN1CSC(=S)NCCNC(=S)SC1    5.735
*3733 C1CCCCCC1    0.470
*3758 OCCN1CSC(=S)N(CCO)C1    8.174
*3764 CCOC(=O)N(N=O)C(C)(C)C    7.476
*3768 N[CH](CCC[CH](N)C(O)=O)C(O)=O   16.273
*3775 CCN1CSC(=S)N(CC)C1    2.300
*3789 C[CH](O)C1CCCC1    5.187
*3815 C[C]1(O)CCC[C]1(C)O    6.623
*3869 NC1CCCCCC1    4.738
*3913 CCCCNC[CH](O)C=O    8.130
*3930 CCOC(=O)[CH](N)CCSC    8.047
*3953 CCC(C)(C)NC(=O)NC(N)=O   11.860
*3954 CCCOC(=O)NCCSC(N)=N   14.175
*3970 CN1CCN(CCO)CC1   12.288
*3975 CN(C)COC(=S)SCN(C)C    7.870
*3993 CNC(=N)SCCCSC(=N)NC   15.169
*4002 CC[CH](O)CC(C)C    4.631
*4008 OCCCCCCCO    6.268
*4034 CCCN(CC)CC    3.947
*4035 CC[CH](C)C[CH](C)N    4.382
*4043 CC[CH](N)[CH](O)C(C)C    8.818
*4045 CCCN(C)C[CH](C)O    8.382
*4054 CC(=O)SCC[N+](C)(C)C   15.529
*4055 CC(=O)OCC[N+](C)(C)C   15.080
*4059 C[CH](O)CN(C)C[CH](C)O    9.818
*4066 NCNC1=NC(=NC(=N1)NCN)N(CN)CN   16.338
*4072 NCCCCCCCN    8.370
*4087 [O-][N+](=O)C1=CC=CC(=C1)N=C=O    6.037
*4138 OS(=O)(=O)C1=C(C=O)C=CC(=C1)[N+]([O-])=O   13.606
*4172 N#CCSC1=C2N=CNC2=NC=N1   13.030
*4224 OC(=O)CN1C=NC2=C1N=CN=C2S   12.924
*4241 NC1=NC(=C2N=CNC2=N1)SCC#N   12.932
*4323 CC1=CC(=CC=C1O)[N+]([O-])=O    8.613
*4332 OCC1=CC=C(C=C1)[N+]([O-])=O    9.067
*4347 NC(=O)C1=C(O)C=CC=C1O   10.420
*4372 NC1=CC2=NNC=C2C=C1    9.896
*4398 NNC1=NC2=CC=CC=C2S1   12.258
*4502 CN1N=NC2=C1C=CC(=C2)N    8.955
*4514 COC1=C2N(C)C=NC2=NC=N1    8.640
*4515 CCOC1=C2N=CNC2=NC=N1    9.848
*4523 CSC1=NC(=C2N=C(C)NC2=N1)O   13.587
*4589 CC1=CC(=CC(=C1)O)O   10.191
*4608 OS(=O)(=O)SCC1=CC=CC=C1    8.804
*4650 CC1=CC(=NC(=C1)O)C    9.049
*4660 CCOC(=O)N1C=CC=C1    4.717
*4664 CCOC(=O)C=C(C)C#N    6.368
*4679 CC1=C(N)C=CC(=C1)S(O)(=O)=O   12.008
*4685 CCOC(=O)C1=C(C)C(=O)ON1    7.648
*4726 NNC(=S)NC1=CC=CC=C1    9.439
*4732 CC1=C(SC=C1)C=NNC(N)=S    7.690
*4738 CNC1=C2N=CN(C)C2=NC=N1   11.483
*4758 NC1=NC(=C2N=CNC2=N1)SCCO   13.863
*4761 CN1C(=O)N(C)C2=C(NC(=N)N2)C1=O   14.232
*4811 COC1=CC=C(NC(N)=O)C=C1   10.924
*4815 CNCC1=C(C=CC=C1)[N+]([O-])=O    8.276
*4861 COC(=O)CC1=C(NC(=S)N1)C(=O)OC    9.987
*4945 C[CH](O)C1=CC=CC=C1    6.539
*4946 CCCC(=O)C1=CC=CS1    5.027
*4962 CC1=C(O)C(=CC(=C1)O)C   10.149
*4982 OC[CH]1CO[CH](O1)C2=CC=CO2   10.059
*4986 CS(=O)(=O)OCC1=CC(=O)C(=CO1)OS(C)(=O)=O   12.051
*5005 CNC1=CC(=CC=C1)C    5.336
*5009 CC1=CC(=CC(=C1)N)C    5.635
*5025 CCOC1=CC(=CC=C1)N    6.824
*5070 CCOC(=O)NCC1=CC=CS1    8.296
*5137 CN(C)C1=C2N=CN(C)C2=NC=N1   10.171
*5152 OCCCNC1=C2C=NNC2=NC=N1   17.011
*5155 ON(O)NC(=N)NN=CC1=CC=CC=C1   19.073
*5179 CC1=C(C)C=C(N)C(=C1)N    9.087
*5184 CC1=C(C)N=C(C)C(=N1)C    5.364
*5188 CC[N+]1=CC=CC(=C1)C(N)=O   16.086
*5194 CCC1=NC(=C(CC(N)=O)S1)C   11.983
*5203 C[N+]1=CC=CC(=C1)CC(=O)NO   19.297
*5207 CCOC1=CN=C(OCC)N=C1    6.785
*5210 CCOC(=O)CN1C=NC(=C1)C    6.554
*5223 CCOC(=O)C(CCCC#N)=NO    9.567
*5238 C[CH](CC(O)=O)[C]1(C)NC(=O)NC1=O   13.440
*5256 CNC1=C2N=CNC2=NC(=N1)N(C)C   11.061
*5261 CN1N=C(CCN)C2=C1N=CN=C2N   15.654
*5262 CCN(CC)C1=C2N=NNC2=NC=N1   11.652
*5269 CCCCOC1=C2N=NNC2=NC(=N1)N    9.900
*5286 CC(C)C=C1CCOC1=O    3.754
*5300 OC(=O)C[CH]1CCCC=C1    5.936
*5308 CC(=O)OC(C)=C(C)C(C)=O    5.917
*5311 COC(=O)C1CCC(=O)CC1    6.914
*5319 CCCC[CH]1CC(=O)OC1=O    4.312
*5333 CC(C)CC(=CC(O)=O)C(O)=O   11.305
*5340 COC(=O)CCC(=O)CC(=O)OC    9.428
*5343 OC[CH]1OCO[CH]2[CH]1OCO[CH]2C(O)=O   17.340
*5350 C1C=CC[N+]12CC=CC2   12.910
*5351 O=C1NC[CH]2CCC[CH]1C2    7.706
*5363 CCOC(=O)N1CCC=CC1    6.638
*5366 NC(C1CC1)(C2CC2)C(O)=O    8.921
*5370 OCC1=CCN2CC[CH](O)[CH]12   10.391
*5393 COC(=O)[CH]1CN(CCO)C(=O)C1   14.438
*5424 CCN1N=NC2=C1N=C(N)N=C2NCCO   15.975
*5431 CNC1(CCCCC1)C#N    7.903
*5434 CC=CC1=NCCN1CCO    9.975
*5437 CC(C)CN1CCC(=O)NC1=S    8.593
*5441 CC1(C)NC(=O)C(C)(C)NC1=O    8.273
*5450 NC(=O)CCSC(=S)N1CCOCC1   12.793
*5496 CC(C)(C)[C](C)(O)C#C    5.616
*5503 CC=C[CH]1OCC[CH](C)O1    4.092
*5520 OC1[CH]2CCC[CH]1COC2    8.375
*5569 CCOC(=O)CC1(C)OCCO1    6.907
*5572 CC(C)C(OC(C)=O)OC(C)=O    6.010
*5578 OC(=O)CCCCCCC(O)=O   10.775
*5633 CC(C)OC(=O)N1CCCC1    6.583
*5653 CC1(C)[CH](N)C[CH]1CC(O)=O    9.866
*5654 CC(C)OC(=O)NCC(C)=C    6.502
*5670 CCOC(=O)CNCC(=O)OCC    7.179
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*6878 COCC(=O)C1=CC=CC=C1    6.090
*6888 CCOC(=O)C1=CC=CC=C1    4.336
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*6903 CS(=O)(=O)C=CC1=CC=CC=C1    6.106
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*6942 CCC(=O)C1=C(O)C=C(O)C=C1    9.750
*6974 COC(=O)C1=C(O)C(=CC=C1)OC    6.570
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*7106 CCCC1=CC(=C(O)C=C1)[N+]([O-])=O    4.866
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*7135 CC(=NNC(N)=S)C1=CC=C(O)C=C1   11.327
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*7176 C#CCCCCCC#C    1.963
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*7247 CCOC(=O)N1N=C(CC1=O)C(=O)OCC    7.697
*7257 CCC1=NC2=C(N1)N(C)C(=O)N(C)C2=O   11.609
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*8124 CCCCCCCCC(=O)NN    9.469
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*19156 CC1=CC=C(C=C1)S(=O)(=O)N2C=NC3=C(C=CC=C3)C2=O   10.307
*19186 OC(=O)C=C(C1=CC=CC=C1)C2=CC=CC=C2    9.237
*19219 O=C(C=CS(=O)(=O)C1=CC=CC=C1)C2=CC=CC=C2    9.533
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*19327 C1CCC2=C(C1)NC3=C2C=CC4=CN=CC=C34    9.971
*19368 S=C1SCN(CN1C2=CC=CC=C2)C3=CC=CC=C3    1.807
*19370 CC(=O)C(=NNC1=CC=CC=C1)N=NC2=CC=CC=C2   10.265
*19371 O=C(NN=CC1=CC=CC=C1)NN=CC2=CC=CC=C2   10.770
*19391 CC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2)C    5.625
*19402 CCC1(O)C2=C(C=CC=C2)C3=CC=CC=C13    7.967
*19435 OC(=O)C(CS)(C1=CC=CC=C1)C2=CC=CC=C2    9.775
*19439 COC(=O)C(O)(C1=CC=CC=C1)C2=CC=CC=C2    6.750
*19452 CC1(C)CC(=O)C2=C(C1)OC(=O)C3=C2C=CC=C3    7.493
*19470 COC1=C(O)C(=C(C=C1)C(=O)C2=CC=CC=C2)OC   12.151
*19492 CC1(C)C2=C(NC3=C1C=CC=C3)C=CC=C2    6.126
*19520 CCOC(=O)N(C1=CC=CC=C1)C2=CC=CC=C2    6.827
*19524 CC1=C(C=CC=C1)N2C(=O)[CH]3CC=CC[CH]3C2=O    6.762
*19560 CCOC(=O)C(N1C(=O)C2=CC=CC=C2C1=O)C(=O)OCC   11.350
*19583 CCOC1=CC=C2SC(=NC2=C1)NS(=O)(=O)C3=CC=C(N)C=C3   15.348
*19662 OC[CH]1O[CH]([CH](O)[CH]1O)N2C=NC3=C(SCC4=CC=CS4)N=CN=C23   19.804
*19668 CN1C(=O)N(C)C2=C(N(C)C(=N2)NN=CC3=CC=C(O)C=C3)C1=O   18.547
*19688 OCC(CO)(C1=CC=CC=C1)C2=CC=CC=C2    8.947
*19689 CCCCC(=O)C1=CC=C2C=CC=CC2=C1O    6.532
*19718 CCN(CC1=CC=CC=C1)C2=CC=CC=C2    5.037
*19743 CN(C)CCC(=O)C1=C2C=CC=CC2=CC=C1    9.201
*19744 OC1=C(CNCCC2=CC=CC=C2)C=CC=C1   10.824
*19833 CCC(O)(CC1=CC=CC=N1)CC2=CC=CC=N2   13.030
*19854 NS(=O)(=O)C1=CC=C(N[CH](C[CH](C2=CC=CC=C2)S(O)(=O)=O)S(O)(=O)=O)C=C1   21.196
*19856 C1CCN(CC1)C2=C(N=C3C=CC=CC3=N2)N4CC4   10.484
*19869 C1C[CH](CC=C1)[CH]2OC[CH](O2)C3=CC=CC=C3    5.418
*19885 CCOC(=O)[CH]1CCC(=O)[C](O)(C1)C2=CC=CC=C2    8.693
*19886 CCOC(=O)CC1=CCC2=C(OC)C(=CC=C12)OC    7.561
*19903 O=C1[CH](CN2CCCCC2)CC3=C1C=CC=C3    8.489
*19907 O=C1[CH](CN1C2CCCCC2)C3=CC=CC=C3    8.457
*19929 CCOC(=O)C(CCC1=C(C=CC=C1)[N+]([O-])=O)C(=O)OCC    9.384
*19931 CC(=O)O[CH]1CCC(=O)[CH](C1)C(=O)CC2CC(=O)NC(=O)C2   16.305
*19940 CN1CCN(CC1)CCN2C(=O)C3=C(C=CC=C3)C2=O   14.368
*19959 C[CH](CN(C)C)C(=O)C1=CN(C)C2=C1C=CC=C2   10.521
*19969 CCN1C[CH](CC2=C1C=CC=C2)C(=O)N[CH](C)C(O)=O   14.317
*20030 CCCC[CH](OC(=O)CC)C1=CC2=C(OCO2)C=C1    7.169
*20064 CC[CH]1CC2=C(C=C(OCCN(C)C)C=C2)C1=O    9.484
*20072 CCCCCCC(=NOCC1=CC=CC=C1)C(O)=O    7.032
*20084 CCC1(COC(OC1)C2=CC=C(C=C2)C(C)C)[N+]([O-])=O    8.330
*20111 CCC1=CC2=C(C=C1)[CH](C)CCC2(C)C    1.757
*20115 CCCCN1CCC[CH](C1=N)C2=CC=CC=C2    6.672
*20152 CCCCN(CCCC)C1=CC=C(SC#N)C=C1    6.117
*20155 CCN(CC)S(=O)(=O)NC1=C(C)N(C)N(C1=O)C2=CC=CC=C2   12.650
*20159 C[CH](CC1=CC(=CC=C1C)C(C)(C)C)C=O    4.561
*20162 CC1(C)C[C](C)(O)C(C)(C)C2=C1C=CC=C2    6.114
*20179 CCCC(=O)OC1=C(C)C=C(C=C1)C(C)(C)C    3.487
*20189 CCCC[CH](CC)OC(=O)C1=CC(=CC=C1)C    3.678
*20194 CCCCCCC(=O)OCCC1=CC=CC=C1    4.111
*20201 CCCCCCCC(=O)OC1=CC=C(C)C=C1    3.407
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*20247 C[C]1(CC2=CC=CC=C2)OC[CH](CCCCO)O1    9.444
*20249 CCCC1(C)COC(OC1)C2=CC=C(OC)C=C2    6.358
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*20257 CCC1(C)COC(OC1)C2=CC=C(OC)C(=C2)OC    7.708
*20276 C=CC[N+]1(CCOCC1)CCC2=CC=CC=C2   15.595
*20291 CCCCCCCCC(=O)NC1=C(O)C=CC=C1   11.331
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*20494 CC(C)(C1CCC(O)CC1)C2CCC(O)CC2    5.996
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*20583 CCCCCCCCC1OCC(C)(CC)CO1    3.175
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*20783 OC(=O)C1=NN(C2=CC=C(C=C2)S(O)(=O)=O)C(=O)[CH]1N=NC3=CC=C(C=C3)S(O)(=O)=O   25.457
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*20916 CC1=NC2=C(C=C(C=C2)C3=CC=CC=C3)N=C1C    7.575
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*21027 CC1=CC=C(C=C1)C(=O)OCC2=CC3=C(OCO3)C=C2    8.445
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*21437 CC(=C)C[C](C)(O)C1=C2C=CC=CC2=CC=C1    7.114
*21443 CCCC(C1=CC=C(O)C=C1)C2=CC=C(O)C=C2   10.914
*21533 CCOC(=O)C1=CC=C(C=C1)N=C[CH]2CCCCC2=O    8.017
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*21668 CCCC[CH](CC)CN1C(=O)C2=C(C=CC=C2)C1=O    6.788
*21671 CCN(CC)CCOC(=O)CC1=CSC2=C1C=CC=C2    9.060
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*21717 CCCC(=O)N[CH](C)C(=O)NC1=C(C=CC=C1)C(=O)OCC   11.886
*21730 C[CH]1CCC(C)(C)C2=C1C=C(C(C)=O)C(=C2)C    4.620
*21731 CC1=CC2=C(C=C1C=O)C(C)(C)CCC2(C)C    4.361
*21740 O=C(CCC1CCCCC1)OCC2=CC=CC=C2    4.343
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*21782 CCC(=O)C1(CCN(C)CC1)C2=CC=CC(=C2)OC    9.793
*21783 CCCCNC[CH]1COC2=C(C=CC(=C2C)C)C1=O    9.660
*21816 CC[CH](C)NCCNC1=C2N=CC=CC2=CC(=C1)OC   13.654
*21866 CCCC1=C(OCC=C)C(=CC(=C1)C)CCC    2.757
*21867 CC(C)(C)C1=CC(=C(O)C=C1)C2CCCCC2    5.538
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*22029 CCN(CC)CCOC1=C(C=CC(=C1)C)C(C)C    6.100
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*22119 CCCCCC(=O)OCCCCOC(=O)CCCCC    5.026
*22145 C[CH](CN1CCCCC1)SS[CH](C)CN2CCCCC2    9.006
*22146 CCCCCCC=NNC(=N)C(=N)NN=CCCCCCC    9.699
*22161 CCCCCCCCC1OCC(CC)(CC)CO1    3.052
*22165 CCCCCCCCCCCC(=O)OC(C)(C)C    2.157
*22202 CCCCOC(OCCCC)[CH](CC)CCCC    2.697
*22220 C[N+]1(CCCC1)CCC[CH](O)CC[N+]2(C)CCCC2   22.067
*22228 N#CC1=C2C=CC=CC2=C(C#N)C3=C1C=CC=C3    8.320
*22254 OC1=NN=C(C2=CC=CC=C2)C(=C1C#N)C3=CC=CC=C3   13.654
*22256 O=C(N1[CH](C=CC2=C1C=CC=C2)C#N)C3=CC=CC=C3   11.558
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*30183 CCCCCCCCCCCCCCCCCC(=O)NC1=CC2=C(N)C=C(C)N=C2C=C1   13.544
*30206 CCCCCCCCN(CCCCCCCC)C[CH](O)CN1CCCC2=C1C=CC=C2   10.030
*30209 CCCCCCCCCCCCCCCCCCNC(=S)NN=CC1=CC=C(C=C1)N(C)C    6.833
*30221 CCCCCCCCCCCC(=O)OCCNC(=O)COC(=O)CCCCCCCCCCC    9.423
*30236 O=C1C(=C(C2=CC=CC=C2)C(=C1C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5   10.558
*30260 C[CH](CC1=C2C=CC=CC2=CC=C1)C(C)(C(=O)OC3=CC=CC=C3)C(=O)OC4=CC=CC=C4    8.854
*30272 CN(C)C1=CC(=C(C=C1)C(C2=C(C)C=C(C=C2)N(C)C)C3=C4C=CC=CC4=CC=C3)C    8.936
*30292 CCCCCCN(CCCCCC)C[CH](O)C1=C2C=CC=CC2=NC(=C1)C3=CC=CC=C3   13.622
*30297 C[C]12C[CH](O)[CH]3[CH](CCC4=CC(=O)C=C[C]34C)[CH]1CC[C]2(O)C(=O)COC(=O)CCC5CCCC5   11.151
*30300 C[CH]1CN(CCC(C(=O)N(C(C)C)C(C)C)(C2=CC=CC=C2)C3=CC=CC=C3)C(C)(C)C1   11.762
*30333 CC(C)CCC[CH](C)CCC[CH](C)CCC[C]1(C)CCC2=C(O1)C(=C(C)C(=C2C)O)C    5.449
*30351 CC1=C(C2=C3C(=O)C4=CC=CC=C4C(=O)C3=CC=C2C)C5=C(C=C1)C(=O)C6=CC=CC=C6C5=O   15.757
*30386 NCC(CCC(CN)(C1=CC=CC=C1)C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4   12.866
*30422 CC(=O)OC[CH]1O[CH](O[CH]([CH](COC(C)=O)OC(C)=O)[CH](OC(C)=O)[CH](COC(C)=O)OC(C)=O)[CH](OC(C)=O)[CH](OC(C)=O)[CH]1OC(C)=O   28.054
*30450 CC(C)CCC[CH](C)[CH]1CC[C]2(C)C3=C(C(=O)C[C]12C)[C]4(C)CC[CH](O)C(C)(C)[CH]4CC3=O   10.719
*30461 COC1=CC2=C(C=C1)N(CCCCCCCCCCN(CCC(C)C)CCC(C)C)CCC2    6.697
*30474 CC(C)CCC[CH](C)CCC[CH](C)CCCC[CH](C)CCC[CH](C)CCCC(C)C   -0.185
*30478 O=C1C2=CC=CC=C2C(=O)C3=C(NC4=C5C=CC=C6C(=O)C7=C(C=CC=C7)C(=C56)C=C4)C=CC=C13   16.329
*30490 CN1C(=O)N(C)C2=C(N(C[CH](COC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)OC(C)=O)C=N2)C1=O   18.034
*30539 OS(=O)(=O)C1=CC=CC(=C1)N=NC2=C3C=CC=CC3=C(C=C2)N=NC4=C5C=CC=C(C5=C(NC6=CC=CC=C6)C=C4)S(O)(=O)=O   25.788
*30547 OC1(C2=C(C=CC=C2)C(C3=CC=CC=C3)C4=CC=CC=C4)C5=C(C=CC=C5)C6=CC=CC=C16   11.450
*30557 O=C(CCCCC(=O)NC1C2=C(OC3=C1C=CC=C3)C=CC=C2)NC4C5=C(OC6=C4C=CC=C6)C=CC=C5   16.896
*30558 COC1=CC=C(C=C1)C(C#N)(C2=CC=C(OC)C=C2)C(C#N)(C3=CC=C(OC)C=C3)C4=CC=C(OC)C=C4   17.058
*30568 CO[CH]1[CH](O)[CH](C)O[CH](O[CH]2[CH](O)[CH](O)[CH](C)O[CH]2OC3=CC=CC4=C(O)C5=C6C(=C34)OC(=O)C7=C6C(=CC=C7C)OC5=O)[CH]1O   26.796
*30572 O=C(CCCCCCCCC(=O)NN=CC1=C2C=CC=CC2=CC=C1)NN=CC3=C4C=CC=CC4=CC=C3   14.061
*30580 CC(C)(C)C1=C2CN(COC2=C(C3=C1OCN(CC4=CC=CC=C4)C3)C(C)(C)C)CC5=CC=CC=C5   10.967
*30593 CC(C)CCC[CH](C)[CH]1CC[CH]2[CH]3CC=C4N(C(=O)CC[C]4(C)[CH]3CC[C]12C)C5=CC=CC=C5    5.226
*30613 CC(C)CCC[CH](C)[CH]1CC[C]2(C)[CH]3CC[CH]4C(C)(C)[CH](CC[C]4(C)[CH]3CC[C]12C)OC(C)=O    1.611
*30657 O=C1C2=CC=CC=C2C3=CC=CC4=C(C=CC1=C34)C5=C6C=CC=C7C8=C(C=CC=C8)C(=O)C(=C67)C=C5   12.434
*30664 OC1=C2C=CC=CC2=C(C=C1)N=NC3=CC(=C(C=C3)C=CC4=C(C=C(C=C4)N=NC5=C6C=CC=CC6=C(O)C=C5)S(O)(=O)=O)S(O)(=O)=O   31.682
*30710 COC(=O)CCC1=C2NC(=C1C)C=C3N=C(C=C4NC(=CC5=NC(=C2)C(=C5C)CCC(=O)OC)C(=C4C=O)C)C(=C3C=O)C   21.764
*30722 COC(=O)[CH]1[CH](C(=O)OC)[C]23C=C[C]14C[CH](CC[C]4(C)C2=CC[C]5(C)[CH](CC[CH]35)C(C)=O)OC(=O)C6=CC=CC=C6   12.235
*30750 CCCCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCCCC    8.889
*30759 CC1=CC(=CC=C1N=NC2=CC3=C(C=CC=C3S(O)(=O)=O)C(=C2)S(O)(=O)=O)NC(=O)NC4=CC(=C(C=C4)N=NC5=CC(=C6C=CC=C(C6=C5)S(O)(=O)=O)S(O)(=O)=O)C   42.340
*30765 COC(=O)CCC1=C2NC(=C1C)C=C3N=C(C=C4NC(=CC5=NC(=C2)C(=C5C)CCC(=O)OC)C(=C4C#N)C)C(=C3C=C)C   17.842
*30769 COC(=O)CCC1=C2NC(=C1C)C=C3N=C(C=C4NC(=CC5=NC(=C2)C(=C5C)CCC(=O)OC)C(=C4C)C=C)C(=C3C)C=NO   19.215
*30780 CCCCCCCCCCN(CCCCCCCCCC)C[CH](O)C1=CC2=C(C=C1)N=C3CCCCC3=C2   11.547
*30800 C1CCC2=C(C1)C=CC(=C2)[CH](C3=CC=CC=C3)C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6    6.499
*30808 CCC1=C(C)C2=CC3=NC(=CC4=C(CCC(=O)OC)C(=C(N4)C=C5N=C(C=C1N2)C(=C5CC)C)C)C(=C3C)CCC(=O)OC   14.654
*30826 CCCCCCCCC=CCCCCCCCC(=O)OOC(=O)CCCCCCCC=CCCCCCCCC    0.218
*30864 OC1=CC(=CC=C1)C2(C3=CC=CC=C3)C4=C(C=CC=C4)C(C5=CC=CC=C5)(C6=CC=CC=C6)C7=C2C=CC=C7   12.067
*30873 CCNC1=C2C=CC=CC2=C(C=C1)N=NC3=CC=C(C=C3OC)C4=CC(=C(C=C4)N=NC5=C6C=CC=CC6=C(NCC)C=C5)OC   18.963
*30876 O=C1NC2=CC=C(CC3=CC=C(NC(=O)N4CCN(CC4)C(=O)NC5=CC=C(CC6=CC=C(NC(=O)N7CCN1CC7)C=C6)C=C5)C=C3)C=C2   43.027
*30887 CCCCCCCCCCCCCCCCCC(=O)OCCOC(=O)CCCCCCCCCCCCCCCCC    2.319
*30944 CCN(CC)C1=CC=C(C=C1)C(C2=CC=C(C=C2)N(CC)CC3=CC(=CC=C3)S([O-])(=O)=O)=C4C=CC(C=C4)=[N+](CC)CC5=CC(=CC=C5)S(O)(=O)=O   31.069
*30977 C[C]1[CH][CH][C]2[N][C](S[C]2[CH]1)[C]3[CH][CH][C]([CH][CH]3)N4ON4[C]5[CH][CH][C](C=C[C]6[CH][CH][C]([CH][C]6S(O)(=O)=O)N7ON7[C]8[CH][CH][C]([CH][CH]8)[C]9[N][C]%10[CH][CH][C](C)[CH][C]%10S9)[C]([CH]5)S(O)(=O)=O   29.074
*31007 OCCNC(=NC1=CC=C(CC2=CC=C(C=C2)N=C(NCCO)C(C3=CC=CC=C3)C4=CC=CC=C4)C=C1)C(C5=CC=CC=C5)C6=CC=CC=C6   21.656
