1861
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*234 O=C1OCCS1    4.012
*246 S=C1NCCO1    5.959
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*270 CN(C)C#N    3.796
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*314 CCOC=O    3.496
*331 OC(=O)CCS(O)(=O)=O   12.907
*338 NCC=C    5.002
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*376 CCN(N=O)C(N)=O    9.879
*385 NC(=O)NCCS   10.424
*395 NNC(=O)CC(=O)NN   16.328
*421 C[CH](CO)S(O)(=O)=O   12.091
*441 CCN(CC)N=O    5.440
*481 C[CH](O)CCO    6.638
*482 CCOCCO    7.255
*513 CSSC(SSC)SSC    6.483
*529 CC(N)(CO)CO   10.625
*535 CN(C)CCS(O)(=O)=O   11.081
*545 CNCCNC    8.302
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*570 OC1=NC(=C2N=NOC2=N1)O   16.879
*581 O=NC1C(=O)NC(=O)NC1=O   14.151
*594 O=C1CC=NC(=S)N1    6.842
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*664 NC(=O)C=CC(O)=O   13.559
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*724 CN=C1SSC(=O)N1C    6.900
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*790 C=CS(=O)(=O)C=C    4.309
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*928 CC(C)C=O    3.921
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*946 C[CH](O)C(C)=O    4.987
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*965 CC(=O)OCCO    8.070
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*1056 CC(C)=NNC(N)=S    6.128
*1058 CC(C)N1N=NNC1=N    9.804
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*1071 CC(CC(C)=NO)=NO    9.083
*1086 CCC(OC(N)=O)OC(N)=O   10.226
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*1234 CCC(CO)(CO)[N+]([O-])=O    9.757
*1238 COC(=O)NCCOS(C)(=O)=O   11.200
*1247 CN(C)NCCC#N   10.076
*1254 C[CH](CC(O)=O)NC(N)=N   15.172
*1291 CN(N=O)S(=O)(=O)CCCS(=O)(=O)N(C)N=O   11.103
*1292 CS(=O)(=O)N(CCCN(N=O)S(C)(=O)=O)N=O   11.103
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*1372 CC(=O)N[N+](C)(C)C   17.790
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*1392 [O-][N+](=O)C1=CC=NC=C1    7.556
*1456 NC1=C2N=C(NC2=NC=N1)[N+]#N   14.138
*1484 OCN1C(=O)C=CC1=O   10.996
*1487 OS(=O)(=O)C1=CC=CC=N1    9.893
*1490 OCC1=CC=C(O1)[N+]([O-])=O    9.068
*1498 ONC(=O)C1=CN=CC=N1   14.620
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*1532 SC1=C2NC(=N)NC2=NC=N1   13.180
*1534 CC1=NC(=N)C2=NSNC2=N1    8.072
*1566 NNC(=O)C1=CC=CO1   11.035
*1572 NS(=O)(=O)C1=CC=CN=C1    9.257
*1613 NNC1=NC2=C(NC=N2)C=N1   11.983
*1651 CC(=C)[CH](O)C#N    4.818
*1704 CC1=CC(=NC(=N1)N)S    4.818
*1742 CC(=O)NN=C(C)C(O)=O   11.230
*1759 CNC1=CC(=NC(=N1)N)S    7.971
*1761 CSC1=NC(=CC(=N1)N)N   12.384
*1799 CCC=CC(O)=O    6.221
*1814 CC(C)(C(O)=O)C(O)=O   11.144
*1815 C[CH](CC(O)=O)C(O)=O   11.144
*1822 CN(C)CC#C    5.099
*1843 O=CN1CCOCC1    9.296
*1848 CC[CH]1COC(=O)N1    7.171
*1853 COC(=O)CCSC(N)=S    7.116
*1860 C[CH](NC(C)=O)C(O)=O   11.315
*1884 NC(=O)CC(=N)CC(N)=O   12.848
*1886 NC(=N)N[CH](CC(O)=O)C(O)=O   19.124
*1903 C1CCC=CC1    1.179
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*1957 O=CC1CCCC1    4.032
*1958 CC(C)C=CC=O    4.005
*1968 CCOC(=O)C=CC    3.717
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*2028 C1COC2OCCOC2O1    8.747
*2043 OC[CH]1C[C](O)(CO)C(=O)O1    7.424
*2063 CC(C)(C)CC#N    4.023
*2119 CCN(CC(O)=O)CC(O)=O   11.971
*2124 COC(=O)CC[CH](N)C(O)=O   11.326
*2134 N[CH](CCCC(O)=O)C(O)=O   13.708
*2160 CN1C(=O)N[CH](NC(N)=O)[CH](N)C1=O   20.991
*2162 CC=CC(C)C    0.374
*2163 CC1CCCC1    0.593
*2169 CCCNCCC#N    7.793
*2172 CCC(=O)NN=C(C)C    7.155
*2211 CN1CCN(CC1)C(S)=S    6.947
*2220 CN(C)C(=S)SSSSC(=S)N(C)C    4.195
*2229 CC(C)CC(C)=O    3.936
*2275 CCC(C)(C)C(O)=O    5.770
*2278 CCOC(C)=CCO    6.166
*2301 CO[CH](C)CCOC=O    5.182
*2307 CCC(=O)C(OC)OC    6.495
*2308 COC(=O)CCSCCO    9.917
*2339 CS(=O)(=O)OCCOC(=O)COS(C)(=O)=O   11.306
*2393 CCOC(=O)C(C)(C)N    6.075
*2436 OC[CH](O)[CH](O)[CH](O)[CH](O)C=NO   14.924
*2499 C1CNC2NCCNC2N1   11.305
*2502 NNC(=O)CCCCC(=O)NN   15.959
*2503 N[CH](CCCNC(N)=N)C(O)=O   17.738
*2508 CN(N=O)S(=O)(=O)CCCCS(=O)(=O)N(C)N=O   10.979
*2511 CNC(=N)SCCSC(=N)NC   15.292
*2551 OC[CH](O)COC[CH](O)CO   11.320
*2571 CCCNCCC    4.287
*2578 CCCCNCCO    8.724
*2583 CC(C)[CH](O)[CH](C)N    8.943
*2616 CCN(CC)CCN    8.056
*2652 [O-][N+](=O)C1=CC2=C(NN=N2)C=C1    9.237
*2663 OC(=O)C1=COC(=O)C=C1    8.842
*2673 OC(=O)C1=CC=NC=C1    9.848
*2683 OC1=CC(=C(C=C1)N=O)O   12.215
*2707 OC1=C2N=CNC2=CC=N1   13.302
*2865 CC1=C(O)C(=O)C=C1    4.873
*2899 CC1=CC=CN=C1    5.109
*2919 NC1=C(O)C=CC=C1O   13.686
*2926 NC1=CC(=CC(=C1)O)O   13.686
*2953 NC1=C(C=CC(=C1)S(O)(=O)=O)S(O)(=O)=O   18.382
*2962 ONC(=N)C1=CC=CN=C1   13.318
*3007 CC1=NNC2=C1N=CN=C2N   13.119
*3060 C[C]1(CCC(=O)N1)C#N   11.101
*3073 COC1=NC(=O)N(C)C=C1    7.921
*3092 CC[C]1(NC(=O)NC1=O)C=O   11.593
*3094 CCC1C(=O)NC(=O)NC1=O   12.688
*3146 CCNC1=C2N=NNC2=NC=N1   13.087
*3156 OCCC1=CC=CS1    6.804
*3206 C=CCOCCC#N    6.206
*3210 CC=CC=CC=NO    4.939
*3250 NC1=CC(=CC(=C1)N)N   12.623
*3264 NNS(=O)(=O)C1=CC=C(N)C=C1   12.206
*3309 C[N+]1=CC=CC(=C1)C(N)=O   16.209
*3333 CSC1=C(C)C=NC(=N1)S(C)(=O)=O    7.483
*3339 CCC[C]1(NC(=O)NC1=O)C=O   11.471
*3353 CCOC(=O)C=CC(=O)NC(N)=O   12.947
*3401 CC(=O)OC(C)(C)C#C    4.171
*3431 CCCC(=CC(O)=O)C(O)=O   11.428
*3447 C[CH](CC(O)=O)C(C(O)=O)C(O)=O   16.149
*3466 [O-][N+](=O)CC1=CCCCC1    3.975
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*3537 CN(C)COC(=S)SCCC#N   10.493
*3545 NC(=O)NC1(CCCC1)C(O)=O   12.788
*3546 COC(=O)CCNC(=O)N1CC1   11.269
*3549 COC(OC)[C]1(C)NC(=O)NC1=O   11.721
*3565 CCSC1=CC(=NC(=N1)N)NC    8.370
*3581 CC(=O)C1CCCC1    4.168
*3594 CC(C)COC(=O)C=C    3.666
*3618 CCCOC(=O)CC(C)=O    6.682
*3620 CCCCC(C(O)=O)C(O)=O   10.896
*3631 C[CH](CCC(O)=O)CC(O)=O   10.896
*3644 OC1[CH](O)[CH](O)C2(CO2)[CH](O)[CH]1O   13.845
*3671 OC(=O)CN1CCCCC1    8.253
*3674 C[CH]1C[CH](N[CH]1C)C(O)=O    8.471
*3678 CC1(C)NC(=O)C(C)(C)O1    7.378
*3694 CCOC(=O)N1CCOCC1    8.759
*3700 CC(C[CH]1CCS(=O)(=O)C1)=NO    9.166
*3708 N[CH](CCCC(O)=O)CC(O)=O   14.886
*3716 CCCC[CH](C)N=C=S    1.893
*3717 CCCCCCSC#N    3.742
*3733 C1CCCCCC1    0.470
*3761 COCN1CCN(COC)C1=O    9.690
*3770 CCCCN1CCNC1=S    5.764
*3775 CCN1CSC(=S)N(CC)C1    2.300
*3782 CC1(O)CCCCC1    5.187
*3794 CC(C)(C)SCCC=O    5.648
*3795 CCS[CH]1CCC[CH]1O    7.282
*3820 C[CH]1CC(C)(C)OCO1    4.159
*3831 CCCCCOCC(O)=O    6.851
*3832 CCCCCOC(=O)CO    4.071
*3834 CCOCC(=O)COCC    6.222
*3860 COCCO[CH](C)C(=O)[CH](O)S(O)(=O)=O   14.646
*3865 CCN1CCCCC1    4.301
*3877 CCCCCCC(N)=O    7.336
*3913 CCCCNC[CH](O)C=O    8.130
*3919 CC(C)NC(=O)OC(C)C    6.569
*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
*3966 CCCCC(C)C   -0.356
*3975 CN(C)COC(=S)SCN(C)C    7.870
*4028 CS(=O)(=O)OCCCCCOS(C)(=O)=O    9.164
*4035 CC[CH](C)C[CH](C)N    4.382
*4066 NCNC1=NC(=NC(=N1)NCN)N(CN)CN   16.338
*4072 NCCCCCCCN    8.370
*4100 OC(=O)C1=CC(=O)C(=C(O1)C(O)=O)O   14.339
*4128 OC(=O)C1=CC(=CC=C1)[N+]([O-])=O    9.369
*4153 [O-][N+](=O)C1=C(NC#N)C=CC=C1    5.801
*4154 [O-][N+](=O)C1=CC2=C(C=C1)C=NN2    8.848
*4171 CN(C1=C(C=C(C=C1[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O    8.567
*4267 OC(=O)C1=C(O)C=C(O)C=C1   11.830
*4273 O[CH]1OCC=C2OC(=O)C=C12    9.971
*4289 C=CC1=CC=CC=N1    5.441
*4324 NC1=CC(=C(C=C1)C(O)=O)O   11.299
*4352 CCC(=O)C1=CC=C(O1)[N+]([O-])=O    7.290
*4356 NS(=O)(=O)C1=C(C=CC=C1)C(O)=O   11.071
*4407 NC(=O)CSC1=C2N=CNC2=NC=N1   16.466
*4408 NC(=O)CN1C=NC2=C1N=CN=C2S   14.614
*4448 CC1=CC=CC(=C1N)[N+]([O-])=O    6.742
*4449 NNC(=O)C1=CC=C(O)C=C1   15.017
*4453 CC1=CC(=C(N)C=C1)[N+]([O-])=O    6.742
*4461 CC1=C(C=CC=C1N)[N+]([O-])=O    8.081
*4487 COC(=O)C1=C(N=CN1)C(=O)OC    9.807
*4491 CNS(=O)(=O)C1=CC=C(C=C1)[N+]([O-])=O    8.437
*4495 NC(=S)CC1=CC=NC=C1    9.167
*4541 NCC(=O)NN=CC1=CC=C(O1)[N+]([O-])=O   13.710
*4560 CSC1=NC(=C2N=C(C)NC2=N1)S    9.028
*4591 CC(=O)CC1=CC=CO1    5.399
*4606 COS(=O)(=O)C1=CC=CC=C1    6.094
*4672 NS(=O)(=O)CC1=CC=CC=C1    6.767
*4729 NC1=NC(=C2CCCC2=N1)S    5.007
*4738 CNC1=C2N=CN(C)C2=NC=N1   11.483
*4746 CN(C)C1=NC2=CN=CN=C2N1   11.500
*4753 CCN1C=NC2=C1N=C(N)N=C2O   12.134
*4772 CCSC1=C2N=CNC2=NC(=N1)N    9.426
*4813 COC(=O)C1=CC=C(NN)C=C1   10.291
*4861 COC(=O)CC1=C(NC(=S)N1)C(=O)OC    9.987
*4919 CSCCSC1=C2N=CNC2=NC=N1   11.496
*4930 CC1=C(CO)C=CC=C1    6.620
*4931 CC1=C(C)C=C(O)C=C1    6.166
*4959 COC1=C(OC)C=CC=C1    4.724
*4967 O=C1OC(=O)[CH]2CCCC[CH]12    4.668
*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
*5014 N#C[CH]1C[CH]2CC[CH]1C2    4.488
*5025 CCOC1=CC(=CC=C1)N    6.824
*5026 CCOC1=C(N)C=CC=C1    6.824
*5044 COC1=CC(=C(OC)C=C1)N    8.177
*5045 NOCCOC1=CC=CC=C1    7.896
*5047 CCOC(=O)C(C#N)=C(C)C    6.173
*5110 CN(NC(N)=O)C1=CC=CC=C1   10.764
*5137 CN(C)C1=C2N=CN(C)C2=NC=N1   10.171
*5142 CCNC1=C2N(C)C=NC2=NC=N1   11.361
*5148 CCCOC1=C2N=CNC2=NC(=N1)N    9.625
*5155 ON(O)NC(=N)NN=CC1=CC=CC=C1   19.073
*5163 NC(=N)NC(=N)NC1=CC=C(C=C1)S(O)(=O)=O   22.389
*5180 NNCCC1=CC=CC=C1    8.470
*5194 CCC1=NC(=C(CC(N)=O)S1)C   11.983
*5196 O=C1N[CH]2CCCC[CH]2C(=O)N1    9.845
*5203 C[N+]1=CC=CC(=C1)CC(=O)NO   19.297
*5232 ON1C(=O)N[CH]2CCCC[CH]2C1=O   11.712
*5238 C[CH](CC(O)=O)[C]1(C)NC(=O)NC1=O   13.440
*5247 N[CH]1CCC2=NC(=NC(=C2C1)O)N   13.431
*5255 CNC1=NC(=C2C=NN(C)C2=N1)NC   11.051
*5267 CCCCN1N=NC2=C1N=C(N)N=C2O   12.287
*5300 OC(=O)C[CH]1CCCC=C1    5.936
*5309 CCOC(=O)[CH]1CCC(=O)C1    6.914
*5310 CCC(=O)C(C)=C1OCCO1    5.983
*5316 OC(=O)[CH]1OC12CCCCC2    7.939
*5333 CC(C)CC(=CC(O)=O)C(O)=O   11.305
*5350 C1C=CC[N+]12CC=CC2   12.910
*5393 COC(=O)[CH]1CN(CCO)C(=O)C1   14.438
*5465 C[CH]1CN([CH](C)CN1C(S)=S)C(S)=S    5.676
*5503 CC=C[CH]1OCC[CH](C)O1    4.092
*5511 C[CH]1CC[C]2(CCCO2)O1    5.292
*5517 CC(C)CCOC(=O)C=C    3.542
*5533 CC[CH](C)OC(=O)C(C)=C    3.470
*5539 CCC(=O)CC(=O)C(C)C    7.108
*5567 CCCOC(=O)C(=O)OCCC    5.115
*5574 CCOC(=O)CCC(=O)OCC    6.010
*5576 CCOC(=O)CCCCC(O)=O    8.393
*5626 CCC1(CC)SCCNC1=O    9.445
*5627 CC[CH]1CS[CH](CC)C(=O)N1    9.445
*5642 CN(C)CCOC(=O)C(C)=C    7.020
*5655 C=COCCNCCOC=C    6.750
*5679 CCOC(=O)CNC(=O)OC[CH](C)O   12.452
*5726 CCC[CH](CC)C(=O)NC(N)=O    9.352
*5734 CN(C)CCN(CC(O)=O)CC(O)=O   15.277
*5737 NC(=O)OCCCCCCOC(N)=O    9.857
*5773 CC[CH]1CCC[CH](O)C1    5.064
*5800 CCC[CH]1OCC[CH](C)O1    4.036
*5803 CCCCCOC(=O)CC    3.141
*5808 CCC(CC)OC(=O)CC    3.141
*5809 OCCOC1CCCCC1    7.119
*5810 CC(C)C1OCCCCO1    4.036
*5813 CC[CH](C(O)=O)C(C)(C)C    5.523
*5814 CCCCCCCC(O)=O    5.523
*5840 CC(C)(C)C[C](C)(O)C(O)=O    6.330
*5849 CC(C)CC(=O)OC[CH](O)CO    9.015
*5862 CCCCN=CCCC    1.575
*5882 CCCC(=O)NC(C)(C)C    6.996
*5913 CC[CH](C)CC[CH](N)C(O)=O    8.211
*5926 OC[CH](O)CN1CCCCC1   10.052
*5937 OCCNC(=O)[CH](O)[CH](O)[CH](O)[CH](O)CO   14.987
*5946 CCCCCC(C)=NNC(N)=S    5.636
*5969 CN1CCN(CC1)C[CH](O)CO   13.602
*6014 CCCCOS(=O)OCCCC    3.947
*6016 CCOS(=O)(=O)C[CH](C)C(C)C    4.656
*6017 CCCCCCCCS(O)(=O)=O    7.039
*6040 CCN(CC)CC[CH](C)O    8.259
*6064 O[CH](CNCCS)[CH](O)CNCCS   16.583
*6087 N=C(C(C#N)C#N)C(=N)C(C#N)C#N   17.338
*6116 N#CC1=CC2=C(NC=N2)C=C1    8.451
*6129 OC1=NC2=C(C=CC=C2)N=C1   10.529
*6144 ON=C1C(=O)NC2=C1C=CC=C2   11.567
*6166 [O-][N+](=O)CC(=O)C1=C(C=CC=C1)[N+]([O-])=O   10.656
*6191 O=CC(=O)C1=CC=CC=C1    7.272
*6213 OC(=O)C1=C(O)C(=C(C=C1)C(O)=O)O   13.427
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*14933 CCCCCCCC(=O)N(CC)CC    6.284
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*15274 C1C2=CC=CC=C2OC3=C1C=CC=C3    4.321
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*15328 OC1=C(C=CC=C1)N=CC2=CC=CC=C2    7.991
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*15343 OC1=CC=C(C=C1)C=NC2=CC=CC=C2    7.991
*15349 OC1=CC=CC(=C1)N=CC2=C(O)C=CC=C2   11.971
*15359 OC(=O)CC1=CC(=NC=C1)C2=CC=CC=C2   11.353
*15381 S=C(NC1=CC=CC=C1)C2=CC=CC=C2    6.666
*15398 NC(=S)NC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)[N+]([O-])=O   13.799
*15399 OC1=C(C=CC=C1)C=NNS(=O)(=O)C2=CC=C(C=C2)[N+]([O-])=O   13.427
*15403 NC(=S)NN=C1CC2=CC=CC3=CC=CC1=C23    8.790
*15415 N(C=NC1=CC=CC=C1)C2=CC=CC=C2    7.160
*15451 COC1=CC(=C(NC2=CC=CC=C2)C=C1)[N+]([O-])=O    8.271
*15467 CCOC(=O)C1=C(O)C2=CC(=CC(=C2N=C1)[N+]([O-])=O)OC   12.745
*15475 CCC1=NC(=C2C=NN(C3=CC=CC=C3)C2=N1)O   15.967
*15563 C(CC1=CC=CN=C1)C2=CC=CC=C2    6.079
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*15590 O[CH](CN1C=CC=CC1=O)C2=CC=CC=C2   13.010
*15608 OC1=CC(=C(C=C1)C(=O)C[N+]2=CC=CC=C2)O   18.564
*15610 O=C(COC1=CC=CC=C1)NCC2=CC=CO2   10.218
*15617 CCOC(=O)C1=CN=C2C=CC(=CC2=C1O)OC   10.341
*15659 CN(C)C1=C2C=NN(C3=CC=CC=C3)C2=NC=N1   13.947
*15668 CN(C)C1=C2N=CN(C3=CC=CC=C3)C2=NC=N1   13.939
*15689 NN(CC1=CC=CC=C1)C2=CC=CC=C2    7.879
*15709 CN1C(=O)N[C](C2CC2)(C1=O)C3=CC=CC=C3    9.542
*15714 O=C(CC1=CC=C(C=C1)C(=O)N2CC2)N3CC3   11.575
*15791 COC1=C(OC)C=C(C=C1)C(=O)[CH]2COC(=O)C2   10.321
*15795 CC(=O)OC1=CC(=C(OC(C)=O)C=C1C)OC(C)=O    7.983
*15800 C[CH]1CCC2=C(C1)NC3=CC=CC=C23    5.955
*15814 CNCC1=C2C=CC=CC2=C(OC)C=C1    8.110
*15831 O[CH]1CCC[CH]1OC(=S)NC(=O)C2=CC=CC=C2   13.439
*15846 CCOC(=O)[CH](CC)N1C(=O)C2=CC=CC=C2S1(=O)=O    9.523
*15857 CCOC1=CC=C(NC(=O)C2=CNC(=N2)C)C=C1   13.132
*15860 CC1=CC(C)(C)NC(=S)N1C2=CC(=CC=C2)[N+]([O-])=O    7.410
*15895 CC1=CC(C)(C)NC(=S)N1C2=CC(=CC=C2)S(O)(=O)=O   11.336
*15917 CCC1=C(NC2=C(C)C=CC=C2)N=C(N)N=C1O   12.921
*15927 COC1=C(NC(=O)CSC(N)=O)C=C(NC(=O)CSC(N)=O)C=C1   23.876
*15933 CCC1=C(NC2=CC=C(C)C=C2)N=C(N)N=C1S    8.362
*15975 CCOC(=O)[C]1(C)O[CH]1C2=CC=C(C)C=C2    6.498
*16041 OC(=O)[CH](N1CCCCC1)C2=CC=CC=C2    9.346
*16065 COC1=CC=C(C=CC(=O)NC[CH](C)O)C=C1   14.656
*16086 CSCC[CH](NC(=O)OCC1=CC=CC=C1)C(O)=O   13.708
*16090 CC1=CC=C(C=C1)S(=O)(=O)N(CCC(O)=O)CCC(O)=O   15.660
*16112 CCCCSC1=CC=C(NC2=NC(=NC=N2)N)C=C1   10.697
*16136 O[CH]1[CH](CNC2=C1C=CC=C2)N3CCOCC3   15.475
*16152 CCCCOC(=O)[CH]1CCC2=C(C1)C(=NC(=N2)O)O   15.777
*16163 CCCN(CCC)C1=CC=C(SC#N)C=C1    6.364
*16172 NC(=N)NCCC[CH](NC(=O)C1=CC=CC=C1)C(O)=O   20.928
*16179 O[CH]1CCCC[CH]1CC2=CC=CC=C2    6.280
*16231 CC1(C)COC(CC2=CC=CC=C2)OC1    5.253
*16255 CC[CH](CC1=CC=C(OC)C=C1)C(C)=O    6.256
*16266 CCCC(=O)O[CH](C)COC1=CC=CC=C1    5.627
*16272 CCCCOC(=O)[CH](O)C1=CC=C(C)C=C1    5.244
*16297 CC(=O)OC[CH]1[CH]2C[CH](C=C2)[CH]1COC(C)=O    6.162
*16302 CO[CH](C)CCOC(=O)C1=CC=C(OC)C=C1    7.250
*16343 CC(C)C(C)(C)C(=O)NC1=CC=CC=C1    7.595
*16345 C[CH](CC1=CC=CC=C1)N2CCOCC2    7.449
*16359 CCOC1=C(C=CC=C1)C(=O)N(CC)CC    8.830
*16374 CCCCN(C(=O)OCC)C1=CC=CC=C1    5.857
*16375 CCC(CC)(NC1=CC=CC(=C1)C)C(O)=O    8.672
*16394 CCCNCCOC(=O)C1=CC=C(OC)C=C1    8.963
*16396 COC1=CC=C(C=C1OC)C(=O)NCC(C)C   10.400
*16404 CCOC(=O)CCC(=O)ON=C(C1CC1)C2CC2    5.889
*16421 CCCCCOC1=CC=C(C=C1)C=NNC(N)=S    8.203
*16452 CCCCN1N=NC2=C1N=C(N)N=C2NCCC3=CNC=N3   15.541
*16461 OCCCN1CCN(CC1)C2=CC=CC=C2   11.796
*16471 CCN(CC)CC(=O)NC1=CC=C(CO)C=C1   14.363
*16476 CC(C)CNCCOC(=O)C1=CC=C(N)C=C1   11.065
*16481 CN(C)CC1=C(O)C(=CC(=C1)C(O)=O)CN(C)C   17.471
*16484 CCN(CC)CCOC(=O)C1=CC=C(C=C1)S(N)(=O)=O   11.500
*16496 CC1=CC(=NC(=N1)N2CCOCC2)N3CCOCC3    9.866
*16513 CC[CH](C)C1=C(OC[CH](C)O)C=CC=C1    7.276
*16536 CCOC(=O)[CH](C)[CH](C(=O)OCC)C(=O)C(=O)OCC   10.788
*16539 CCCCCCSC1=CC=C(C)C=C1    3.146
*16555 CC[C](O)(CCN(C)C)C1=CC=CC=C1    9.475
*16572 CCN(CC)C[CH](O)COC1=CC=CC=C1   10.747
*16584 CCN(CC)CCOC(=O)C1=CC(=CC(=C1)N)N   14.298
*16604 CCN(CC)CCCNC1=CC=CC=C1    8.191
*16611 C[C]12CC[CH](O1)[CH]3C[N+](C)(CCC#N)C[CH]23   19.000
*16628 C[CH]1CC[C]23CC[CH]([CH](C)[CH]2O)[CH]3C1    5.160
*16632 O=CO[CH]1CCCC[CH]1C2CCCCC2    2.979
*16640 OC(=O)[CH](C1CCCCC1)C2(O)CCCC2   10.056
*16642 CCOC(=O)[CH](CC1CCCCC1)C(C)=O    6.299
*16658 ON=C(C1CCCCC1)C2CCCCC2    4.588
*16668 CN1C(=O)N(C)C2=C(N(C)C(=N2)OCC[N+](C)(C)C)C1=O   22.996
*16670 O=C(NC1CCCCC1)NC2CCCCC2    8.236
*16695 CCCCCCCCCCOC(=O)C=C    2.928
*16736 CCCC[CH](CC)COCCOC(=O)C=C    4.983
*16765 CCCCN(CCCC)C(=O)C=C(C)C    6.418
*16773 CCCCN(CCCC)C(=O)[CH](C)OC(C)=O    8.180
*16775 C[CH](OC(C)=O)C(=O)NC(C)(C)CC(C)(C)C    8.399
*16806 CCCCCCCCCCCCOC(S)=S    3.355
*16872 CCCCCCCCCCCCOC(N)=O    6.049
*16880 CCCC[CH](CC)C(=O)NCCCN(C)C    9.932
*16886 CCCCN(CCCC)S(=O)(=O)N1CCCCC1    5.378
*16917 CC[N+](C)(C)CCN(C)CC[N+](C)(C)CC   20.839
*16922 N#CC(C#N)=C(C#N)C1=CNC2=C1C=CC=C2   14.298
*16939 [O-][N+](=O)C1=CC2=C(C=C1)C3=CC=C(C=C3C2)[N+]([O-])=O    8.583
*16974 OC1=C2C=C3C=CC=CC3=NC2=CC=C1   11.156
*16991 [O-][N+](=O)C1=CC=C(C=C1)C(=O)OC2=CC=CC=C2    7.296
*16993 OC(=O)C1=C(SC2=CC=CC=C2)C=CC(=C1)[N+]([O-])=O   11.604
*17023 C1=CC2=C(C=C1)C3=C(C=CC=C3)C=C2    4.290
*17037 NC1=CC=C(N)C2=C1C(=O)C3=C(C=CC=C3)C2=O   15.401
*17045 NC1=CC2=C(C=C1)C(=O)C3=C(C=CC(=C3)N)C2=O   15.401
*17049 CN1C2=C(C=CC=C2)C(=O)C3=C1C=CC(=C3)[N+]([O-])=O    9.857
*17051 [O-][N+](=O)C1=CC(=C(C=CC2=CC=CC=C2)C=C1)[N+]([O-])=O    8.714
*17056 OC(=O)C1=CC=C(C=C1)N=[N+]([O-])C2=CC=C(C=C2)C(O)=O   21.321
*17060 COC1=C(OC2=C(C=C(C=C2)[N+]([O-])=O)[N+]([O-])=O)C=CC(=C1)C=O   12.569
*17088 OC(=O)C1=C2CC3=CC=CC=C3C2=CC=C1    8.472
*17124 OC1=C(O)C=C(C=C1)C(=O)C(=O)C2=CC(=C(O)C=C2)O   24.043
*17151 [O-][N+](=O)C(=CC1=CC=CC=C1)C2=CC=CC=C2    6.807
*17152 ON=C(C1=CC=CC=C1)C(=O)C2=CC=CC=C2    9.022
*17161 OC(=O)C1=C(C=CC=C1)N=CC2=CC=CC=C2    8.703
*17196 CC(=O)OC1=CC=C2C(=C1C)OC(=O)C3=C2OC(=N3)C   10.068
*17208 [O-][N+](=O)C1=CC=C(C=C1)S(=O)(=O)NN=CC2=CC3=C(OCO3)C=C2   12.379
*17234 COC1=C(NC2=NC3=CC=CC=C3S2)C=CC=C1   11.366
*17236 OS(=O)(=O)C1=C(CCC2=C(C=C(C=C2)[N+]([O-])=O)S(O)(=O)=O)C=CC(=C1)[N+]([O-])=O   20.666
*17250 O[C]1(CC2=CC=CC=N2)C(=O)NC3=C1C=CC=C3   13.305
*17251 C[C]1(NC(=O)NC1=O)C2=C3C=CC=CC3=CC=C2   10.785
*17270 NC1=C(SSC2=C(N)C=C(C=C2)C(O)=O)C=CC(=C1)C(O)=O   20.611
*17315 CC1=CC(=C(O)C=C1)C(=O)C2=CC=CC=C2    6.551
*17323 CC1=CC=CC(=C1)OC(=O)C2=CC=CC=C2    4.848
*17402 ON=C(CC1=CC=CC=C1)C2=CC=CC=C2    7.417
*17408 CN(C1=CC=CC=C1)C(=O)C2=CC=CC=C2    7.602
*17427 COC1=CC=C(C=C1)C(=O)CC2=CC=CN=C2   10.213
*17432 CC1=CC(=O)C(=C(C)N1C2=CC=CC=C2)C(O)=O   12.573
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*17465 CC(=NNS(=O)(=O)C1=CC=C(C=C1)[N+]([O-])=O)C2=C(O)C=CC=C2   13.304
*17481 C(CC1=CC=CC=C1)C2=CC=CC=C2    3.196
*17482 CC(C1=CC=CC=C1)C2=CC=CC=C2    3.196
*17486 N=C(NCC1=CC=CC=C1)C2=CC=CC=C2    8.488
*17490 C1CN=C(CC2=C3C=CC=CC3=CC=C2)N1    8.297
*17498 CC(C)(C)C1=NN=C2[CH]1C(=O)C3=CC=CC=C23    6.280
*17517 CN(C(=O)NC1=CC=CC=C1)C2=CC=C(O)C=C2   12.625
*17520 COC1=CC=C(C=C1)N=NC2=CC=C(OC)C=C2    7.288
*17531 CC[CH](NC(=O)C1=NC2=C(C=CC=C2)C=C1)C(O)=O   15.790
*17533 CC(=O)C1=CC=C(NS(=O)(=O)C2=CC=C(N)C=C2)C=C1   12.824
*17536 CC1=C(C=CC(=C1)NC(=O)C2=CC=CC=C2)S(N)(=O)=O   12.975
*17551 N#CC1CC2CC1C3N=NN(C23)C4=CC=CC=C4    9.134
*17555 C(CSCC1=CC=CC=C1)OC2=C3N=CNC3=NC=N2   12.910
*17564 NNC(=O)C1=C(SSC2=C(C=CC=C2)C(=O)NN)C=CC=C1   18.646
*17565 CC1=CC2=C(C=C1C)N(CCO)C3=NC(=O)NC(=O)C3=N2   14.503
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*17679 CC1=C[N+](=CC=C1)C=CC2=CC=CC=C2   11.357
*17694 C[CH](CC1=C2C=CC=CC2=CC=C1)C(N)=O    9.810
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*17731 CC1=CC=C(NS(=O)(=O)C2=CC=C(C)C=C2)C=C1    6.547
*17748 CCOC(=O)C1=NC2=C(OC)C=CC(=C2C(=C1)O)OC   14.670
*17819 C(CSSCCNC1=C2N=CNC2=NC=N1)NC3=C4N=CNC4=NC=N3   26.029
*17827 C(CC1=CC=CC=N1)NCC2=CC=CC=C2    9.726
*17855 CCC1(CCOC2=CC=CC=C2)C(=O)NC(=S)NC1=O   10.932
*17871 CC1=C(N)C=CC(=C1S(O)(=O)=O)C2=CC=C(N)C(=C2S(O)(=O)=O)C   22.863
*17872 NS(=O)(=O)C1=CC=C(OCCOC2=CC=C(C=C2)S(N)(=O)=O)C=C1   13.951
*17893 NC(=N)NN=C(C[N+]1=CC=CC=C1)C2=CC=C(C=C2)[N+]([O-])=O   22.268
*17912 OC(=O)CCC(=O)C1=CC2=C(CCCC2)C=C1   10.038
*17927 CC(=O)OC[CH]1CO[CH](O1)C=CC2=CC=CC=C2    8.383
*17931 CCCCC1=C(O)C(=C2OC(=O)C=C(C)C2=C1)O   12.517
*17954 CC1=CC=C[N+](=C1)C[CH](O)C2=CC=CC=C2   15.186
*17980 CC(C)C(=O)NC1=CC2=C(N)C=C(C)N=C2C=C1   15.266
*18018 CCOC(=O)C=C(C)NC1=CC=C(NC(C)=O)C=C1   13.583
*18028 O=C1C=C(N2CCOCC2)C(=O)C=C1N3CCOCC3   16.611
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*18138 COC1=CC=C(C=C1)[CH]2CC(=CC[CH]2N)C    7.042
*18180 CCCCCCCOC1=C(C=CC=C1[N+]([O-])=O)C(O)=O    9.857
*18206 CC1=NC(=NC(=C1)C)SCCC2=[N+](C)C=CC=C2   13.917
*18207 C1CCN(CC1)CCN2N=NC(=N2)C3=CC=CC=C3    9.167
*18222 CC1=CC=CC=[N+]1CC[N+]2=C(C)C=CC=C2   12.304
*18246 CCOC(=O)C1=C(NC(=O)CNC(C)C)C=CC=C1   12.378
*18252 CCOC(=O)CNC1=CC(=CC=C1)NCC(=O)OCC   10.889
*18267 CCCCOC(=O)CCC1=NC2=C(N1)N(C)C(=O)N(C)C2=O   13.863
*18297 CCCCOC(=O)C1=CC=C(C=C1)C(C)C    3.801
*18301 C[CH]1CCO[CH](O1)C2=CC=C(C=C2)C(C)C    5.210
*18303 CCCC(=O)OC1=C(C=CC(=C1)C)C(C)C    3.611
*18307 C[CH]1C[CH](C)O[CH](CCC2=CC=CC=C2)O1    5.130
*18315 C[CH]1CC(C)(C)O[CH](O1)C2=CC=C(C)C=C2    5.210
*18331 CCCC1(C)COC(OC1)C2=CC=CC=C2    5.130
*18335 CCCCCCC1=CC=C(OC(C)=O)C=C1    3.530
*18338 CC(=O)OCCOC1=CC=C(C=C1)C(C)(C)C    5.585
*18339 CCCCCCOC(=O)COC1=CC=CC=C1    4.656
*18349 C[CH](COC1=CC=C(C=C1)C(C)(C)C)OC=O    5.325
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*19266 OC(=O)CCN1C2=C(C=CC=C2)C3=CC=CC=C13   10.130
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*19310 CC1=CC=C(C=C1)S(=O)(=O)NC2=C3N=CN=C(O)C3=CC=C2   14.851
*19328 N#CCCNC1=CC=C(C=C1)C2=CC=CC=C2    9.752
*19336 CC1=CC=C(NC(=S)NC(=O)C2=CC=CC=C2)C=C1   10.210
*19355 OC(=O)C1=C(NCNC2=C(C=CC=C2)C(O)=O)C=CC=C1   16.517
*19367 S=C1SC2=C(C=CC=C2)N1CCNC3=CC=CC=C3    7.728
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*19409 CC(=O)OC1=CC=C(CC2=CC=CC=C2)C=C1    5.239
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*19440 COC1=CC=C(C=C1)C(=O)C2=CC=C(OC)C=C2    8.167
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*19487 CN(C)C1=CC2=C(C=C1)C3=CC=CC=C3C2    5.575
*19503 CCC(=CC1=C(O)C=CC=C1)C2=CC=NC=C2   10.455
*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
*19588 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NN=CC2=CC=C(O)C=C2   16.963
*19612 CC(C)[CH](C1=CC=CC=N1)C(=O)C2=CC=NC=C2   11.499
*19674 CCC(=O)CCC1=CC2=C(C=CC=C2)C=C1    6.162
*19708 COC1=CC(=CC=C1O)[CH](C)S(=O)(=O)C2=CC=CC=C2   12.085
*19721 C(CCC1=CC=NC=C1)CC2=CC=CC=C2    5.833
*19722 C(CCC1=CC=CC=N1)CC2=CC=CC=C2    5.833
*19723 NC(CC1=CC=CC=C1)CC2=CC=CC=C2    7.060
*19743 CN(C)CCC(=O)C1=C2C=CC=CC2=CC=C1    9.201
*19782 CC1=CC=C(NS(=O)(=O)C2=C(C)C=CC(=C2)C)C=C1    6.504
*19789 CCOC(=O)[CH](CCSC)N1C(=O)C2=CC=CC=C2C1=O   10.575
*19827 C1CCN2CC3=C(C[CH]2C1)C4=C(N3)C=CC=C4    9.614
*19856 C1CCN(CC1)C2=C(N=C3C=CC=CC3=N2)N4CC4   10.484
*19860 CC1=CC=C(C=C1)S(=O)(=O)NNC(=O)NNS(=O)(=O)C2=CC=C(C)C=C2   15.936
*19882 C[CH]1[CH]2CCC3=C(C)C=C(O)C(=C3[CH]2OC1=O)C    9.046
*19883 C[CH]1[CH]2CC[C]3(C)C=CC(=O)C(=C3[CH]2OC1=O)C    7.278
*19885 CCOC(=O)[CH]1CCC(=O)[C](O)(C1)C2=CC=CC=C2    8.693
*19902 O=C(CCN1CCCC1)C=CC2=CC=CC=C2    9.223
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*19927 CCC(=O)OCCNC(=O)C=CC1=CC=C(OC)C=C1   12.842
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*19998 CC(C)CC(=O)C1=CC2=C(CCCC2)C=C1    4.664
*20007 CC(=O)OCC1=CC=C(C=C1)C2CCCCC2    4.547
*20030 CCCC[CH](OC(=O)CC)C1=CC2=C(OCO2)C=C1    7.169
*20093 CCOC(=O)OC1=C(OC)C=C(C=C1)C(=O)NCC(C)C   10.420
*20096 COC1=CC(=C2N=CC=CC2=C1)N[CH](C)CCCN   13.996
*20130 COC(=O)CCN1CCN(CC1)C2=C(C)C=CC=C2   10.062
*20131 NC1=CC=C(C=C1)S(=O)(=O)N2CCC[CH]3CCCC[CH]23    8.991
*20139 CCOC(=O)C1=C(NC(=O)CN(CC)CC)C=CC=C1   12.036
*20168 CC(=O)OC[CH](OC(C)=O)[CH](OC(C)=O)[CH](COC(C)=O)OC(C)=O   13.757
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*21386 CC(CCC1=CC=C(O)C=C1)=NNC2=CC=CC=C2   10.000
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*21422 CC(C)CN1C=NC2=C1N=C(N)N=C2SCC3=C(C=CC=C3)[N+]([O-])=O   11.348
*21456 C(COC1=CC=CC=C1)OCCOC2=CC=CC=C2    7.545
*21476 CC1=CC=C(SCCSC2=CC=C(C)C=C2)C=C1    6.267
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*21507 OCCN[CH](CC1=CC=CC=C1)C2=CC=CC=C2   11.156
*21514 C[CH]1CCCN(C1)C2=C(O)C=CC3=C2C=CC=C3    8.924
*21516 COC1=C(OCC2=CC=CC=C2)C=CC(=C1)CCN    9.640
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*21568 CCCCN1C=NC2=C1N=C(N)N=C2SCC3=CC=CC=C3    8.943
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*21771 C=CCNC1(CCCCC1)CC2=CC=CC=C2    5.371
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*23647 NC1=CC2=[N+](C3=CC=CC=C3)C4=CC(=CC=C4N=C2C=C1)N   22.900
*23648 C[CH]1NC2=C(C=CC3=NC=CC=C23)C(=O)N1NC4=CC=CC=C4   15.810
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*23821 CCCCOC(=O)C1=CC=C(OC(=O)C2=CC=CC=C2)C=C1    6.714
*23827 COC1=CC(=C(C(=C1OC)O)C(=O)C=CC2=C(O)C=CC=C2)OC   15.184
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*23863 CC(C)[CH](NC(=O)C1=C(C=CC=C1)C(O)=O)C2=CC=CC=C2   13.733
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*24081 CCOC1=CC=C(NC(C)=NC2=CC=C(OCC)C=C2)C=C1    9.246
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*24099 CC1=CC=CC(=C1)N2CCN(CC2)CSC3=CC=CC=C3    7.562
*24136 CC[CH]([CH](CC)C1=CC=C(O)C=C1)C2=CC=C(O)C=C2   10.670
*24143 C[CH](CC1=CC(=C(O)C=C1)O)[CH](C)CC2=CC(=C(O)C=C2)O   18.635
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*24217 COC(=O)C(OC)=C1C(=O)N(C)C2=C(C=C(C)C(=C2)C)C1(C)C   10.092
*24226 C[C]12CC[CH]3[CH](CCC4=C3C=C(C(=C4)O)[N+]([O-])=O)[CH]1CC[CH]2O    9.343
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*24284 C[C]12CC[CH]3[CH](CCC4=C3C=CC(=C4)O)[CH]1C[CH](O)C2   10.439
*24324 COC1=CC(=C2N=CC=CC2=C1)NCCC[CH]3CCCCN3   13.764
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*24330 C1CN(CCO1)CCN2CC[CH](C2)C3=CNC4=C3C=CC=C4   14.770
*24405 CCCC[CH](CC)CNC(=O)C=CC1=CC=C(OC)C=C1    9.604
*24410 CC(C)C1=CC(=C(C=C1)C(C)C)C(=O)CN2CCOCC2    8.599
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*24487 CCCCCCCCCCOC(=O)C1=CC=C(OC)C=C1    4.580
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*24505 CCCCN(CCCC)C(=O)C1=CC=C(C=C1)C(C)C    6.943
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*24545 CCCOC(=O)[CH](C)OC(=O)OCCOCCOC(=O)O[CH](C)C(=O)OCCC    9.775
*24551 CCCCCCCCCCCCC=C[CH]1CC(=O)OC1=O    3.137
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*24571 CCN(CC)C(N(CC)CC)C(=O)NC1=C(C)C=CC=C1C   10.441
*24573 CCN(CC)CC(CN(CC)CC)OC(=O)C1=CC=C(N)C=C1   13.783
*24575 CCCCCCCC[N+]1(C)CCC[CH]1C2=CN=CC=C2   15.804
*24607 CCC[CH](C1CCCC1)C(=O)OCCN2CCCC2(C)C    6.173
*24625 CCC[CH](C)OC1=NC(=NC(=N1)O[CH](C)CCC)O[CH](C)CCC    5.246
*24627 C[CH]1C[CH](CC(C)(C)C1)N(N=O)[CH]2C[CH](C)CC(C)(C)C2    4.429
*24631 CCCCCC[C](C)(O)C#C[C](C)(O)CCCCCC    6.120
*24647 CCCCCCC(=O)C[CH](O)[CH](O)CCCCCCCC(O)=O   13.585
*24664 CCCCCCCCCC1=NC(C)(C)CN1C(C)(C)CO    8.688
*24682 CCCCCCCCC[CH]1OCC(C)(C)[CH](O1)C(C)C    2.807
*24723 CCCCNCCCN(CCCC)CCCNCCCC   10.130
*24731 [O-][N+](=O)C1=CC(=C(NN=C2C3=C(C=CC=C3)C4=CC=CC=C24)C=C1)[N+]([O-])=O   11.405
*24733 CC1=CC2=C(C=C1)C(=O)C3=C(C2=O)C4=C(C=CC=C4)C=C3    9.466
*24742 OC1=CC=C(C=C1)N=C2C3=C(C=CC=C3)C4=CC=CC=C24    9.541
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*24750 [O-][N+](=O)C1=CC=C(SC2=CC=C(C=C2)C(=O)C3=CC=CC=C3)C=C1   10.351
*24754 [O-][N+](=O)C1=CC=C(C=C1)C(C2=CC=C(C=C2)[N+]([O-])=O)C3=CC=C(C=C3)[N+]([O-])=O   11.623
*24772 N(C1=NC2=CC=CC=C2S1)C3=CC=C(C=C3)N=NC4=CC=CC=C4   12.701
*24795 OC1=CC=C(C=C1)C2(OS(=O)(=O)C3=CC=CC=C23)C4=CC=C(O)C=C4   16.682
*24812 CC1=CC(=C(C(C2=CC=C(C=C2)[N+]([O-])=O)C3=C(O)C=C(C)OC3=O)C(=O)O1)O   12.682
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*27774 CCN(C1=CC=CC=C1)S(=O)(=O)[CH](C2=CC=CC=C2)C(=O)C3=CC=CC=C3    9.467
*27775 CN(C1C2=C(OC3=C1C=CC=C3)C=CC=C2)S(=O)(=O)C4=CC(=C(C)C=C4)C    8.796
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*27795 OCCNC1=NC(=C2N=C(C3=CC=CC=C3)C(=NC2=N1)C4=CC=CC=C4)NCCO   20.224
*27817 CC1(C)O[CH]2O[CH](COC(=O)C3=CC=CC=C3)[CH](OC(=O)C4=CC=CC=C4)[CH]2O1   14.000
*27824 COC1=CC=C(C=C1OC)C2=C(C=C(O)C3=C(OC)C(=C(OC)C=C23)OC)C(O)=O   19.213
*27829 C(CC1=CC=CC=C1)N(CC2=CC=CC=C2)CC3=CC=CC=C3    7.593
*27833 O[CH](CN(CC1=CC=CC=C1)CC2=CC=CC=C2)C3=CC=CC=C3   12.030
*27848 NC1=NC2=NC(=NC(=C2N=C1C3=CC=C(C=C3)N(CCO)CCO)N)C4=CC=CC=C4   26.371
*27883 COC1=CC=C(C=C1OC)[CH]2[CH]3COC(=O)[CH]3CC4=C2C=C(OC)C(=C4)OC   11.277
*27896 COC1=CC=C2C=CC=CC2=C1[CH](CC3=CC=C(C)C=C3)NCCO   13.352
*27903 CC1(C)O[CH]2O[CH]3[CH](CNC4=CC=CC=C4)O[CH](O[CH]3[CH]2O1)C5=CC=CC=C5   16.903
*27909 C[CH](CC(C#N)(C1=CC=CC=C1)C2=CC=CC=C2)N3CCCCC3    9.623
*27935 COC1=CC=C(C=C1OC)[CH]2[CH]3COC[CH]3CC4=C2C=C(OC)C(=C4)OC   11.362
*27948 CC(=O)OC(C)(C)C1=CC2=C(C=C1)[C]3(C)CCC[C](C)(C#N)[CH]3CC2=O   10.532
*27955 CCN(CCNC1=C2N=CC=CC2=CC(=C1)OC)CCC3=CC=CC=C3   14.529
*27969 CC[CH]1CN2CC[C]3([CH]2C[CH]1C(=COC)C(=O)OC)C(=O)NC4=CC=CC=C34   15.538
*27972 O=S(=O)(N1CCOCC1)C2=CC=C(OCCOC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4)C=C2   16.910
*27982 CC(=O)O[C]1(CC[CH]2[CH]3CCC4=CC(=O)CC[CH]4[CH]3CC[C]12C)C#C    7.424
*27983 COC(=O)C=C1CC[CH]2[CH]3CCC4=CC(=O)CC[C]4(C)[CH]3C(=O)C[C]12C   10.191
*27990 CC(C)(C)C1=CC=C(C=C1)C(=O)C[N+]2(C)CCCC3=C2C=CC=C3   15.533
*28001 CC(=O)O[CH]1C[N+](C)(C)CCCC1(C2=CC=CC=C2)C3=CC=CC=C3   17.252
*28005 CN1[CH](CCC[CH]1CCC2=CC=C(O)C=C2)CCC3=CC=C(O)C=C3   14.083
*28025 CC(C)N(CCC(C(N)=O)(C1=CC=CC=C1)C2=CC=CC=C2)C(C)C   12.703
*28038 CC(C=O)=C1CC[CH]2[CH]3CCC4=CC(=O)CC[C]4(C)[CH]3CC[C]12C    6.991
*28043 C[CH]1C[C]2(C)[CH]3[CH](CCC2=CC1=O)[CH]4CC[CH](C(C)=O)[C]4(C)CC3=O   10.483
*28073 C=CC[N+]1(CCCC1)CCOC(=O)[CH]([CH]2CCC=C2)C3=CC=CC=C3   15.959
*28080 CCOC1=CC=C(C=C1OCC)[CH](CC2=CC=CC=C2)N(CCO)CCO   14.338
*28107 CCCCCCC[N+]1=CC=C(CCS(=O)(=O)C2=CC=C(NC(C)=O)C=C2)C=C1   19.631
*28125 C[CH]1C[C]2(C)[CH]3[CH](O)C[C]4(C)[CH](CC[CH]4C(C)=O)[CH]3CCC2=CC1=O   11.502
*28140 CCCCCCCCCCCC(=O)NC1=CC2=C(N)C=C(C)N=C2C=C1   14.281
*28165 CC(=O)[CH]1CC[CH]2[CH]3CC[CH]4CC(=O)CC[C]4(C)[CH]3[C](C)(O)C[C]12C   11.245
*28169 CCCCOC(=O)C1=CC=CC(=C1)C(=O)OCCCCCCCC(C)C    5.174
*28173 CCCCCC[CH]1C=C[CH](CCCCCCCC(O)=O)[CH]2[CH]1C(=O)OC2=O    8.252
*28183 CCCCCCCCOC(=O)C1=CC=C(OCCCN2CCOCC2)C=C1   10.049
*28192 CCCCN(CC(C)C)C[CH](O)CNC1=C2N=C(C)C=CC2=CC(=C1)OC   17.215
*28203 CCOC(=O)N1CCN(CCCCOC2=CC=C(C=C2)C(C)(C)CC)CC1   11.593
*28229 CCCCCCCCCCCCCCCC1=C(C=CC(=C1)OC)S(O)(=O)=O    8.061
*28253 CCCC[CH](CC)C(=O)OCCCNC(=O)[CH](C)OC(=O)[CH](CC)CCCC   10.161
*28283 CCCCCCCCCCCCCCCCCC(=O)OCCCC    1.418
*28284 CCCCCCCCCCCC(=O)OC[CH](C)CCC[CH](C)CC    1.418
*28297 CCCC[CH](CC)CSCCO[CH](C)OCCSC[CH](CC)CCCC    6.148
*28343 OC1=C(C=NNC(=S)NN=CC2=C3C=CC=CC3=CC=C2O)C4=C(C=CC=C4)C=C1   18.119
*28365 OC(=O)CCC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2C3=C(OC4=C2C=CC=C4)C=CC=C3   20.169
*28369 COC1=C2C=CC=CC2=C(CC3=C4C=CC=CC4=C(OC)C=C3)C=C1    7.796
*28389 OC1=CC=C(O)C2=C1CN(CC3=CC=CC=C3)C(=S)N(CC4=CC=CC=C4)C2   17.116
*28406 O[C]1(OCCN(CC2=CC=CC=C2)[CH]1C3=CC=CC=C3)C4=CC=CC=C4   14.318
*28450 CCC1=C(NC2=C3C=NN(C4=CC=CC=C4)C3=NC(=N2)CC)C(=CC=C1)CC   15.362
*28452 CCN(CC)C1=CC=C(C=CC2=CC(=C3C=C(C)C=CC3=N2)C)C=C1    9.268
*28459 O[CH]([CH]1CCCCN1)C2=C3C=CC=CC3=NC(=C2)CCC4=CC=CC=C4   14.991
*28467 C[CH](CN=C(CC(C)=O)C1=CC=CC=C1)N=C(CC(C)=O)C2=CC=CC=C2   11.533
*28481 CC1=CC=C(C=C1)S(=O)(=O)OC[CH]2O[CH](O[CH]3[CH]2O[CH]4OC(C)(C)O[CH]34)C5=CC=CC=C5   17.577
*28495 CCOC(=O)CC[CH](NC(=O)C1=CC=C(NS(=O)(=O)C2=CC=C(C)C=C2)C=C1)C(=O)OCC   16.089
*28500 CC1=CC2=C(OC3(CC2(C)C)CC(C)(C)C4=C(O3)C=CC(=C4)C)C=C1    5.662
*28507 CC(=O)OCC(=O)[C]1(O)C[CH]2O[C]23[CH]4C=CC5=CC(=O)CC[C]5(C)[CH]4[CH](O)C[C]13C   14.260
*28546 CC(=O)OCC(=O)[C]1(O)C[CH]2O[C]23[CH]4CCC5=CC(=O)CC[C]5(C)[CH]4CC[C]13C   12.678
*28559 CC(C)CCOC(C(=O)OCCN(C)C)(C1=CC=CC=C1)C2=CC=CC=C2    9.712
*28569 CC(C)(CC(C(N)=O)(C1=CC=CC=C1)C2=CC=CC=C2)[N+]3(C)CCCC3   21.201
*28574 CCC(C1=C(C=C(C=C1)N(CC)CC)[N+]([O-])=O)C2=C(C=C(C=C2)N(CC)CC)[N+]([O-])=O   10.987
*28586 CC(=O)OCC=C1CC[CH]2[CH]3CCC4=CC(=O)CC[C]4(C)[CH]3[CH](O)C[C]12C   10.812
*28590 CC(=O)O[CH]1CC[C]2(C)[CH](CC[CH]3[CH]4CC=C(C(C)=O)[C]4(C)CC(=O)[CH]23)C1    9.810
*28604 CC(=O)OCC(=O)[C]1(O)CC[CH]2[CH]3CC[CH]4CC(=O)CC[C]4(C)[CH]3C(=O)C[C]12C   12.928
*28612 C[CH]1CC(C)(C)CN1CCOC(=O)[CH]([CH]2CCCC=C2)C3=CC=CC=C3    7.444
*28613 C[CH](CN1[CH](C)CC[CH]1C)OC(=O)[CH]([CH]2CCCC=C2)C3=CC=CC=C3    7.444
*28620 CC(=NOCC(O)=O)[CH]1CC[CH]2[CH]3CCC4=CC(=O)CC[C]4(C)[CH]3CC[C]12C    9.764
*28635 CC(=O)O[CH]1CC[C]2(C)[CH](CC=C3[CH]4CC[CH](C(C)=O)[C]4(C)CC[CH]23)C1    6.120
*28654 CCCCCN(CCCCC)C[CH](O)C1=C2C=CC=CC2=CC=C1OC   11.099
*28686 CCC[CH](C)C1=CC=C(OCCCCCN2CCN(CC2)C(=O)OCC)C=C1   11.470
*28689 CCCCCCCCCCCCC1=CC=C(OC(=O)OCCCC)C=C1    1.873
*28697 CCCCCCCCCCCCCCCCNC(=O)NC1=CC=C(C=C1)[N+]([O-])=O    9.914
*28714 CCCCCCCCCCCCCCCCCC1=NCCN1CC=C    3.764
*28735 CCCCCCCCCC[N+](C)(C)CCCCCCCCCCC(O)=O   15.493
*28742 O=C1C2=CC=CC3=C2C(=CC=C3)C1=C4CC5=CC=CC6=CC=CC4=C56    9.588
*28749 O1C(=NC(=C1C2=CC=CC=C2)C3=CC=CC=C3)C4=C5C=CC=CC5=CC=N4   12.390
*28802 COC1=C(C=CC=C1)C(=O)OC2=C(C(C)=O)C(=CC=C2)OC(=O)C3=C(OC)C=CC=C3   12.710
*28812 C(OC1=NC(=NC(=N1)OCC2=CC=CC=C2)OCC3=CC=CC=C3)C4=CC=CC=C4   10.001
*28842 COC1=CC2=C(C=C1OC(C)=O)[CH]([CH]3COC(=O)[CH]3C2)C4=CC=C(OC(C)=O)C(=C4)OC   12.660
*28880 CCOCC1=C(C=CC=C1)C(O)(C2=C(OC)C=CC=C2)C3=C(OC)C=CC=C3   13.071
*28893 CCCCCC1=CC=[N+](CC(=O)C2=CC=C(C=C2)C3=CC=CC=C3)C=C1   14.278
*28899 CN=C1C=CC(C=C1)=C(C2=CC=C(C=C2)N(C)C)C3=CC=C(C=C3)N(C)C    8.572
*28930 CC(=O)CC(=NCCNCCN=C(CC(C)=O)C1=CC=CC=C1)C2=CC=CC=C2   15.180
*28931 C[CH](CN1CCCCCCC1)C(C#N)(C2=CC=CC=C2)C3=CC=CC=C3    9.377
*28933 CN(CCCC[CH]1CCCN(C1)C(=O)C2=CC=CC=C2)C(=O)C3=CC=CC=C3   11.105
*28976 CCN(CC)CCC(C(=O)N1CCCC1)(C2=CC=CC=C2)C3=CC=CC=C3   12.376
*28993 CC(=O)[C]12OC(C)(C)O[CH]1C[CH]3[CH]4C=CC5=CC(=O)CC[C]5(C)[CH]4CC[C]23C    9.879
*29016 CCOC1=CC=C(CCNC(=O)CC2=CC(=C(OCC)C=C2)OCC)C=C1OCC   14.093
*29065 CC1=CC(=C(O)C(=C1)C)CNCCCCCCNCC2=C(O)C(=CC(=C2)C)C   17.790
*29102 CCCCCCCCCCCCCCCCN=CC1=CC2=C(OCO2)C=C1    4.496
*29127 CCCCCCCCCCCCCCCCNC(=S)NN=CC1=C(O)C=CC=C1    9.263
*29133 CCCCCCCCCCCCCCCCCCC1=CC=CC=C1    0.134
*29150 CCCCCCNCC1=C(O)C(=CC(=C1)C(C)(C)C)CNCCCCCC   11.815
*29213 O=C(C[N+]1=CC2=CC=CC=C2C=C1)C3=CC4=C5C=CC=CC5=CC=C4C=C3   16.730
*29218 C1=CC=C(C=C1)N=NC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4    7.511
*29237 CC(=O)OC1=CC=C2C=CC=CC2=C1CN(C(C)=O)C3=CC4=C(C=CC=C4)C=C3   11.932
*29258 CN1CCC([CH](C1)C2=CC=CC=C2)=C(C3=CC=CC=C3)C4=CC=CC=C4    8.148
*29264 O=C(C(C1=CC=CC=C1)C2=CC=CC=C2)N3CCN(CC3)CC4=CC=CC=C4   14.085
*29266 CCOC1=CC(=C2C=C(CC3=CC4=C(C=C3)N=C(OCC)C=C4C)C=CC2=N1)C   11.310
*29270 CC1=NC2=C(C=C(NC(=O)CCCC(=O)NC3=CC4=C(N)C=C(C)N=C4C=C3)C=C2)C(=C1)N   26.445
*29305 CN1C2=C(C=CC=C2)C(C)(C)C1=CC=CC3=[N+](C)C4=CC=CC=C4C3(C)C   13.511
*29372 CN(C)C(=O)C(CC[N+]1(C)CCCC1(C)C)(C2=CC=CC=C2)C3=CC=CC=C3   20.519
*29399 CCC(C(C)C)C(=O)OCC(C(=O)OC1CC2C3OC3C(C1)[N+]2(C)C)C4=CC=CC=C4   21.187
*29407 CC(=O)O[CH]1CC[C]2(C)[CH](CC[CH]3[CH]4CC[CH](C(=C)OC(C)=O)[C]4(C)CC[CH]23)C1    4.569
*29408 CCOC(=O)C(=O)CC(=O)[CH]1CC[CH]2[CH]3CC[CH]4C[CH](O)CC[C]4(C)[CH]3CC[C]12C   12.851
*29417 COC1(CC[C]2(C)[CH](CC[CH]3[CH]2CC[C]4(C)[CH]3CC[C]4(O)C(=O)COC(C)=O)C1)OC    9.256
*29446 CCCCCCCCCCCCCCCCC(NC(C)=O)(C(=O)OCC)C(=O)OCC    9.341
*29481 O=C(OC1=C(C=CC=C1)C2=CC=CC=C2)C3=C(C=CC=C3)C(=O)C4=CC=CC=C4    9.450
*29493 NC1=C2C(=C(C=CC2=C(C=C1)S(O)(=O)=O)N=NC3=C4C=CC=CC4=C(C=C3)N=NC5=CC=C(C=C5)S(O)(=O)=O)O   29.513
*29515 O=C(C=CC1=CC=CC=C1)[CH](C(=O)C=CC2=CC=CC=C2)C(=O)C3=CC=CC=C3   14.606
*29527 COC1=CC=C(C=C1)C=CC2=C(C=CC3=CC=C(OC)C=C3)N=C4C=CC=CC4=N2   12.279
*29530 N(N=C(C1=CC=CC=C1)C(=NNC2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4   11.516
*29540 O=C(COC1=CC2=C(C=CC=C2)C=C1)OCCOC(=O)COC3=CC4=C(C=CC=C4)C=C3   11.305
*29545 C(C1=CC=CC=C1)C2=CC=C(SSC3=CC=C(CC4=CC=CC=C4)C=C3)C=C2    6.415
*29592 CN(C1=CC=C(C=C1)C2=NCCN2)S(=O)(=O)C3=CC(=CC=C3)S(=O)(=O)N(C)C4=CC=C(C=C4)C5=NCCN5   18.654
*29597 CN(C)CC1=CC(=CC(=C1OC(=O)C2=CC=CC=C2)C3=CC=CC=C3)C(C)(C)C    8.857
*29607 CCOC1=C(C=CC=C1)N(CCN(C)C)C(=O)C(C2=CC=CC=C2)C3=CC=CC=C3   13.371
*29672 C[N+]1(CCCC12CCCCC2)CCC(C(N)=O)(C3=CC=CC=C3)C4=CC=CC=C4   21.188
*29683 CCCCCCCCCCCCN[CH](C(=O)C1=CC=CC=C1)C2=CC=CC=C2    7.094
*29685 CCN(CC)CC1=CC(=CC(=C1O)C2=CC=CC=C2)[CH]3C[CH](C)CC(C)(C)C3    9.710
*29694 CCN(CC)C1=C(C)C(=CC=C1)NC(=O)OCCOC(=O)NC2=C(C)C(=CC=C2)N(CC)CC   13.886
*29695 C[C]12CC[CH]3[CH](CCC4=CC(=O)CC[CH]34)[CH]1CC[CH]2OC(=O)CCC5CCCC5    6.379
*29710 C[CH](CCC(O)=O)[CH]1CC[CH]2[CH]3CC[CH]4C[CH](CC[C]4(C)[CH]3C[CH](OC=O)[C]12C)OC=O    9.951
*29721 CCCC[CH](CC)COC(=O)C1=CC(=CC=C1)C(=O)OCCCCCCCC(C)C    4.682
*29733 CCCCCCCCCCCCCCCCCCNC(=S)NN=CC1=CC(=CC=C1)[N+]([O-])=O    7.438
*29734 CCCCCCCCCCCCCCCCCCNC(=S)NN=CC1=C(C=CC=C1)[N+]([O-])=O    7.438
*29740 CCCCCCCCCCCCCCCCCC(=O)C1=CC=C(OC)C(=C1)OC    5.496
*29743 C[CH](CCC(=O)NCCS(O)(=O)=O)[CH]1CC[CH]2[CH]3[CH](O)C[CH]4C[CH](O)CC[C]4(C)[CH]3C[CH](O)[C]12C   20.280
*29753 CC(C)CN(CC(C)C)CC(CN(CC(C)C)CC(C)C)OC(=O)NC1=CC=CC=C1   12.547
*29775 OC1(C2=C(C=CC=C2)C3=CC=CC=C13)C4=C5C=CC=CC5=C6C=CC=CC6=C4   11.327
*29791 COC1=CC=C(C=C1)C2(C3=CC=C(O)C=C3)C4=C(C=CC=C4)C(=O)C5=C2C=CC=C5   13.502
*29818 COC1=CC(=CC(=C1OC)OC)C(=O)OC2=C(OC)C=C(C=C2OC)C(=O)C3=CC4=C(OCO4)C=C3C   17.367
*29819 C1O[CH](O[CH]1[CH]2O[CH](O[CH]3CO[CH](O[CH]23)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6   16.122
*29838 O=C(OCCN1CCCCC1)[CH](C2=CC=CC=C2)C3=CC=C(C=C3)C4=CC=CC=C4   10.225
*29849 CC(=O)O[CH]1CO[CH](O[CH]1[CH](OC(C)=O)[CH]2O[CH](OC[CH]2OC(C)=O)C3=CC=CC=C3)C4=CC=CC=C4   18.434
*29860 COC1=CC=C(CN2CCN(CC3=CC=C(OC)C=C3)C2C4=CC=C(OC)C(=C4)OC)C=C1   13.788
*29875 CN(C(CCCOC1=CC=CC=C1)CCCOC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C)C=C3    9.638
*29878 CN(C)[CH]1[CH]2C[CH]3C(=C(O)[C]2(O)C(=O)C(=C1O)C(=O)NCN4CCCC4)C(=O)C5=C(O)C=CC=C5[C]3(C)O   23.903
*29883 CC(=O)O[CH]1CC[C]2(C)[CH](CC[CH]3[CH]4CCC(=C5OC(=O)C(=C5)OC(C)=O)[C]4(C)CC(=O)[CH]23)C1    9.491
*29900 CCCCCCCCCCCCOC(=O)N[CH]1C2=C(OC3=C1C=CC=C3C)C=CC=C2    8.854
*29924 CCCCN(CCCC)CC1=CC2=C(CC[CH]3[CH]2CC[C]4(C)[CH]3CCC4=O)C=C1O   11.943
*29940 CC(C)(C)CC(=O)OCC(=O)[C]1(O)CC[CH]2[CH]3CC[CH]4CC(=O)CC[C]4(C)[CH]3[CH](O)C[C]12C   10.456
*29952 CCCCCCCCCCCCCCCCCC[N+]1=CC2=CC=CC=C2C=C1    8.742
*29957 CCCCCCCCCCCCCCCCCCNC(=S)NN=CC1=CC2=C(OCO2)C=C1    7.971
*29987 CCCCCCCCCCCCCCCCCC[N+]1=CC=C(C=C1)[CH](C)CC    7.319
*29995 CN1CCN(CCCN2CN(CCCN3CCN(C)CC3)CN(CCCN4CCN(C)CC4)C2)CC1   23.812
*29996 CC[N+](CC)(CC)CCOC1=NC(=NC(=N1)OCC[N+](CC)(CC)CC)OCC[N+](CC)(CC)CC   27.585
*29998 O=C1C2=CC=CC=C2C3=NC4=CC=C5C(=O)C6=C(C=CC=C6)C7=C5C4=C8C(=N7)C=CC1=C38   18.648
*30014 O=C(NC1=C2C=CC=CC2=CC=C1)OC3=C(OC(=O)NC4=C5C=CC=CC5=CC=C4)C=CC=C3   12.738
*30015 O=C(OCCOC(=O)N1C2=C(C=CC=C2)C3=CC=CC=C13)N4C5=C(C=CC=C5)C6=CC=CC=C46   10.358
*30036 COC1=C2C(=C(OC)C=C1)C(=C3C=CC=CC3=C2C4=CC=CC=C4)C5=CC=CC=C5    8.975
*30038 O=C(C1=CC=CC=C1)C2=CC=C(OCCOC3=CC=C(C=C3)C(=O)C4=CC=CC=C4)C=C2   12.623
*30057 COC1=CC=C(C=C1)C(=NNC2=CC=CC=C2)C(=NNC3=CC=CC=C3)C4=CC=C(OC)C=C4   13.971
*30087 CC=C(C1=CC(=C(OC(C)=O)C=C1)CC=C)C(=CC)C2=CC=C(OC(C)=O)C(=C2)CC=C    6.932
*30104 O=C(OC(=O)[CH](C1CCCCC1)C2=CC=CC=C2)[CH](C3CCCCC3)C4=CC=CC=C4    5.870
*30112 CCC(C)(C)C1=CC=C(NC2=CC=C(NC3=CC=C(C=C3)C(C)(C)CC)C=C2)C=C1    8.618
*30116 O=C(CCCCCCCCC(=O)NC1=CC(=CC=C1)C2=NCCN2)NC3=CC(=CC=C3)C4=NCCN4   21.506
*30124 CC[CH]1CN2CCC3=C(C=C(OC)C(=C3)OC)[CH]2C[CH]1C[CH]4NCCC5=C4C=C(OC)C(=C5)O   18.057
*30147 CC(C)(CC(O)=O)CC(=O)OCC(=O)[C]1(O)CC[CH]2[CH]3CCC4=CC(=O)CC[C]4(C)[CH]3[CH](O)C[C]12C   15.842
*30183 CCCCCCCCCCCCCCCCCC(=O)NC1=CC2=C(N)C=C(C)N=C2C=C1   13.544
*30193 CC(C)CCC[CH](C)[CH]1CC[CH]2[CH]3CC=C4CC(CC[C]4(C)[CH]3CC[C]12C)=NNC(N)=O    7.218
*30207 CCCCCCCCCCCCCCCC1=NCC[N+]1(CCO)CCC2=CC=CC=C2   17.554
*30208 CCCCCCCCCCCCCCCCNC(=S)NN=CC1=CC=C(C=C1)N(CC)CC    6.833
*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
*30308 C[CH]1CC[C]2(OC1)O[CH]3C[CH]4[CH]5CC=C6C[CH](CC[C]6(C)[CH]5CC[C]4(C)[CH]3[CH]2C)OC(C)=O    6.983
*30373 O=C(NC1=CC=C(C=C1)N=NC2=CC=CC=C2)N3CCN(CC3)C(=O)NC4=CC=C(C=C4)N=NC5=CC=CC=C5   25.453
*30386 NCC(CCC(CN)(C1=CC=CC=C1)C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4   12.866
*30387 CC(=O)OC1=CC(=C(OC(C)=O)C=C1CN(CC2=CC=CC=C2)C(C)=O)CN(CC3=CC=CC=C3)C(C)=O   17.279
*30405 COC(=O)C[CH]1[C]2(C)[CH](O[CH]3C[CH](C(=C23)C)C4=COC=C4)[CH](OC(C)=O)[CH]5[C](C)(C=CC(=O)[C]15C)C(=O)OC   14.896
*30407 CC(C)C1=C[C]23CC[CH]4[C](C)(CCC[C]4(C)C(O)=O)[CH]2C[CH]1[CH]5[CH]3C(=O)N(C5=O)C6=CC=CC=C6   11.081
*30417 CCN(CC)CCNC1=NC(=C2N=C(C3=CC=CC=C3)C(=NC2=N1)C4=CC=CC=C4)NCCN(CC)CC   20.467
*30419 COC1=CC2=C(NCCCCCCNC3=CC(=[N+](C)C4=CC=C(OC)C=C34)C)C=C(C)[N+](=C2C=C1)C   22.509
*30421 CCN(CC)CCOC(=O)C1=CC=C(NC(=O)OCCOC(=O)NC2=CC=C(C=C2)C(=O)OCCN(CC)CC)C=C1   21.119
*30445 CCCCCCCCCC[CH](C[N+](C)(C)CC=CC1=CC=CC=C1)[CH](O)C2=CC=CC=C2   17.863
*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
*30458 CCCCCCCCCCCC(=O)[CH](CCCCCCCCCC)C(=O)NC1=CC=CC=C1    8.921
*30468 CCCC[CH](CC)COC(=O)C[C](O)(CC(=O)OC[CH](CC)CCCC)C(=O)OC[CH](CC)CCCC    6.979
*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
*30503 CN(C)[CH]1[CH]2C[CH]3C(=C(O)[C]2(O)C(=O)C(=C1O)C(=O)NCN[CH]4[CH]5SC(C)(C)[CH](N5C4=O)C(O)=O)C(=O)C6=C(O)C=CC=C6[C]3(C)O   29.368
*30511 CCN(CC)CCOC(=O)C1=CC=C(NC(=O)OCCCOC(=O)NC2=CC=C(C=C2)C(=O)OCCN(CC)CC)C=C1   20.996
*30552 O=C([CH]1[CH](C=C[CH]([CH]1C(=O)C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5   10.866
*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
*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
*30586 CC(=O)O[CH]1C[C]2(O)[CH](CC[C]3(C)[CH](CC[C]23O)C4=COC(=O)C=C4)[C]5(C)CC[CH](O[CH]6O[CH](CO)[CH](O)[CH](O)[CH]6O)C=C15   20.680
*30603 CC(C)CCC[CH](C)[CH]1CC[CH]2[CH]3CC=C4C[CH](CC[C]4(C)[CH]3CC[C]12C)[N+]5=CC=CC=C5    8.030
*30605 CCCC1=C(C(=O)OCCCN(CC)CC)C(=C(CCC)N1C2=CC=CC=C2)C(=O)OCCCN(CC)CC   16.910
*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
*30693 CCOC1=C(C=CC(=C1)C2=CC=C(C=C2)N=NC3=C(C=C4C=CC(=CC4=C3O)N)S(O)(=O)=O)N=NC5=C(C=C6C=CC(=CC6=C5O)N)S(O)(=O)=O   39.167
*30694 CC1=CC(=CC=C1N=NC2=C(N)C3=C(C=CC=C3)C(=C2)S(O)(=O)=O)C4=CC(=C(C=C4)N=NC5=C(N)C(=CC6=C5C=CC(=C6)S(O)(=O)=O)S(O)(=O)=O)C   36.342
*30697 O[C]1(COC(=O)C2=CC=CC=C2)OC[CH](OC(=O)C3=CC=CC=C3)[CH](OC(=O)C4=CC=CC=C4)[CH]1OC(=O)C5=CC=CC=C5   21.572
*30700 CC1=CC=C(C=C1)C(C2=CC=C(C)C=C2)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5    6.389
*30754 OC(=O)C1=C(O)C=CC(=C1)N=NC2=CC=C(C=C2)C3=CC=C(C=C3)N=NC4=C(C=C5C=CC(=CC5=C4O)NC6=CC=CC=C6)S(O)(=O)=O   29.124
*30768 COC1=CC=C(C=C1)[CH]2OC[CH]3O[CH](O[CH]4[CH]5COC(=O)[CH]5[CH](C6=CC(=C(O)C(=C6)OC)OC)C7=C4C=C8OCOC8=C7)[CH](O)[CH](O)[CH]3O2   32.201
*30835 OC(C1=CC=C(C=C1)C2=CC=CC=C2)(C3=CC=C(C=C3)C4=CC=CC=C4)C5=CC=C(C=C5)C6=CC=CC=C6   12.193
*30852 CC(=C)[CH]1CC[C]2(C)CC[C]3(C)[CH](CC[CH]4[C]5(C)CC[CH](OC(=O)C6=CC=CC=C6)C(C)(C)[CH]5CC[C]34C)[CH]12    2.726
*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
*30878 CCN(CC)C1=CC=C(C=C1)C(=C2C=CC(C=C2)=[N+](CC)CC)C3=C4C=CC=CC4=C(NC5=CC=C(C)C=C5)C=C3   19.101
*30881 CCOC(=O)CCC1=C2NC(=C1C)C=C3N=C(C=C4NC(=CC5=NC(=C2)C(=C5C)CCC(=O)OCC)C(=C4CC)C)C(=C3CC)C   14.408
*30887 CCCCCCCCCCCCCCCCCC(=O)OCCOC(=O)CCCCCCCCCCCCCCCCC    2.319
*30903 CCCCCC[CH](O)CC=CCCCCCCCC(=O)OCCCOC(=O)CCCCCCCC=CC[CH](O)CCCCCC    8.181
*30937 CCCCCCCCCCCCCCCC(=O)OC[CH](CC)[CH](CCC)OC(=O)CCCCCCCCCCCCCCC    2.073
*30983 CCCCCCCCCCN(CCCCCCCCCC)CCN(CCCCCCCCCC)CCCCCCCCCC    3.189
*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
*31009 C[CH]1CC[CH]2[CH](C)[CH]3[CH](C[CH]4[CH]5CC=C6C[CH](CC[C]6(C)[CH]5CC[C]34C)O[CH]7O[CH](CO)[CH](O)[CH](O[CH]8O[CH](CO)[CH](O)[CH](O)[CH]8O)[CH]7O[CH]9O[CH](C)[CH](O)[CH](O)[CH]9O)N2C1   30.914
*31021 C[CH]1O[CH](C[CH](O)[CH]1O[CH]2C[CH](O)[CH](O[CH]3C[CH](O)[CH](O[CH]4O[CH](CO)[CH](O)[CH](O)[CH]4O)[CH](C)O3)[CH](C)O2)O[CH]5CC[C]6(C)[CH](CC[CH]7[CH]6C[CH](O)[C]8(C)[CH](CC[C]78O)C9=CC(=O)OC9)C5   34.370
