1797
*20 NC(=N)NN=O   11.539
*40 NNC(NN)=NN   17.770
*56 N=C1NNC(=S)S1    8.656
*57 C=NN=C    2.228
*72 O=C1NNC(=O)NN1   17.521
*74 N=C1NNC(=N)S1   12.654
*83 OS(=O)(=O)C=C    7.452
*91 CC(=O)NO   10.650
*116 NCC(=O)NO   13.337
*162 NCCOS(O)(=O)=O   11.955
*170 CNC(=N)NN(O)O   18.065
*189 O=C1OC=CO1    1.963
*225 NC1=NC(=NC(=N1)O)O   13.785
*226 NC1=NC(=NC(=N1)S)S    4.668
*238 OC(=O)CC(O)=O   11.390
*297 CCC1=NN=NN1    6.048
*301 NC(=O)NC(=O)NC(N)=O   17.910
*312 CCOC(S)=S    4.585
*331 OC(=O)CCS(O)(=O)=O   12.907
*334 SCC=C    2.465
*362 CC(=O)NCS(O)(=O)=O   11.708
*376 CCN(N=O)C(N)=O    9.879
*385 NC(=O)NCCS   10.424
*393 CNC(=S)NC    6.119
*395 NNC(=O)CC(=O)NN   16.328
*435 NCCSC(N)=N   12.480
*453 CCN(CC)[N+]([O-])=O    5.249
*457 C[CH](CO)OC(=O)NN   13.971
*460 ONC(=N)CCC(=N)NO   17.181
*473 CC(C)(C)O    5.000
*482 CCOCCO    7.255
*508 CC(CS)CS    3.664
*513 CSSC(SSC)SSC    6.483
*523 CC[CH](N)CO    9.188
*545 CNCCNC    8.302
*581 O=NC1C(=O)NC(=O)NC1=O   14.151
*584 OC1=C2N=NNC2=NC=N1   14.082
*594 O=C1CC=NC(=S)N1    6.842
*612 O=C1CC(=O)NC(=O)N1   12.936
*666 ON=C1CCOC1=O    6.910
*701 NC1=CC(=NC=N1)S    8.410
*715 CC1=NNC(=O)C1    7.757
*722 C[CH]1SC(=N)NC1=O   11.460
*730 OC1=C2CSC[N+]2=NO1   15.699
*733 CC(C)(O[N+]([O-])=O)C#N    6.839
*743 NC1=CN=C(N)N=C1    8.889
*753 O=C1NC2NC(=O)NC2N1   15.411
*759 NNC1=NC(=NC=C1)S   10.790
*776 O=C1CCCO1    3.987
*780 CC(=O)C(C)=O    6.706
*798 O=S1(=O)C[CH]2O[CH]2C1    8.225
*832 O=C1CCNC1    7.007
*836 O=C1CSCCN1    9.936
*844 N[CH]1CCOC1=O    6.676
*849 CC(=O)NCC(O)=O   11.439
*851 CCOC(=O)C(N)=O    9.680
*856 CN1CC(=O)NC1=N   11.616
*890 CCC(=O)NC(N)=O    9.845
*927 NC(=S)NN=CC=NNC(N)=S   11.492
*957 O=S1CCOCC1    9.469
*993 CCOC(=O)CN    6.321
*1002 CN(C)CC(O)=O    8.266
*1013 CSC[CH](N)C(O)=O   10.799
*1045 CN1CSCSC1    3.520
*1048 OC1CNC(=N)NC1   14.618
*1053 NC(=S)NN=C[CH](O)CO   12.002
*1058 CC(C)N1N=NNC1=N    9.804
*1069 OCCN1CCNC1=S   10.446
*1097 CNS(=O)(=O)C1=C(N)N=CN1C   11.312
*1124 CCCCOC=O    3.250
*1156 CC(=O)OC[CH](O)CO    9.384
*1165 NCC1CCC1    4.983
*1226 C[CH](O)C(C)(C)[N+]([O-])=O    8.321
*1248 NCCN1CCNC1=O   12.633
*1255 COC(=O)NCCSC(N)=N   14.420
*1271 CCOC(=N)N(C)C    7.770
*1285 CN(C)C(=S)SCCN    7.799
*1312 OCCSCSCCO   10.703
*1323 CCS(=O)(=O)CS(=O)(=O)CC    9.031
*1329 O[CH](CCC[CH](O)S(O)(=O)=O)S(O)(=O)=O   20.049
*1364 CC(C)NC(=N)NC(N)=N   15.213
*1374 CC(C)CNC(=N)NN(O)O   17.697
*1400 OC1=C(C=NC=C1)[N+]([O-])=O    8.039
*1404 OC(=O)C1=CC(=NC(=N1)S)O   13.636
*1485 ONC(=O)C1=CC=CO1   11.354
*1489 OC(=O)CN1C(=O)CSC1=S   11.071
*1490 OCC1=CC=C(O1)[N+]([O-])=O    9.068
*1498 ONC(=O)C1=CN=CC=N1   14.620
*1519 NC1=NC(=C2C=NNC2=N1)O   13.593
*1544 CC1=NC(=NC=C1)O    9.475
*1550 NNC(=O)C1=CC=CS1   11.298
*1561 CC1=CC(=NC(=N1)O)O   13.457
*1582 CCOC(=O)C(=NO)C#N    6.116
*1649 CC(=O)CCC#N    7.564
*1651 CC(=C)[CH](O)C#N    4.818
*1657 CCOC(=O)CC#N    7.015
*1676 CC1=NC(=CS1)C    5.331
*1689 CC1=CC(=NC(=N1)O)N   12.928
*1700 CC1=C(N)C(=NC(=N1)O)O   16.910
*1722 N#CN1CCCC1    3.907
*1730 C[CH]1CC(=O)NC(=S)N1    9.182
*1735 CN1CCC(=O)NC1=O    9.640
*1737 CC(=CC(N)=O)C(N)=O   11.854
*1738 C[CH]1CC(=O)NC(=O)N1    9.857
*1749 C[CH]1CNC(=S)SSC(=S)N1    5.488
*1780 CC(C)=CC(O)=O    6.149
*1793 CCOC(=O)C=C    3.910
*1805 CC1=CCS(=O)(=O)C1    5.175
*1814 CC(C)(C(O)=O)C(O)=O   11.144
*1828 N[CH]1CCCC1=O    7.102
*1834 CC[C](C)(O)C#N    4.762
*1848 CC[CH]1COC(=O)N1    7.171
*1857 NCC(=O)CCC(O)=O   12.000
*1884 NC(=O)CC(=N)CC(N)=O   12.848
*1911 C=CCN(CC=C)N=O    5.450
*1932 CCNC1=C(N)C=NC=N1   11.975
*1934 CN(C)C1=NC(=CC(=N1)O)N   11.218
*1935 NC(=O)C1=C(N)N(CCO)N=C1   18.256
*1958 CC(C)C=CC=O    4.005
*1977 CCC(=O)C(=O)CC    6.458
*2024 CCOC(=O)C(=O)OCC    5.362
*2058 O[CH]([CH](O)[CH](O)C(O)=O)[CH](O)C(O)=O   12.509
*2061 C=CCSSCC=C    2.680
*2062 CCCCCC#N    4.023
*2116 CC(C)(S)[CH](NC=O)C(O)=O   12.383
*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
*2169 CCCNCCC#N    7.793
*2186 OCCNC(=S)C(=S)NCCO   14.317
*2196 [O-][N+](=O)CCCCCC[N+]([O-])=O    7.003
*2211 CN1CCN(CC1)C(S)=S    6.947
*2213 C[CH]1CNCCN1C(S)=S    7.166
*2222 C1N2CN3CN1CN(C2)C3    0.788
*2229 CC(C)CC(C)=O    3.936
*2244 CCSCCOC=C    3.967
*2275 CCC(C)(C)C(O)=O    5.770
*2308 COC(=O)CCSCCO    9.917
*2309 C[CH]1CC(C)(C)S(=O)(=O)O1    5.258
*2313 CC(C)(CO)[CH](O)C(O)=O    8.013
*2340 CC(C)CSC(C)=S    2.807
*2349 CCN(CC)C(C)=O    7.022
*2382 CCN(CC)CC(O)=O    8.020
*2393 CCOC(=O)C(C)(C)N    6.075
*2394 CCOC(=O)NC(C)C    6.693
*2414 CC[CH](O)C(C)(C)[N+]([O-])=O    8.197
*2427 N[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O   15.264
*2483 CCN(CC)CC(N)=O    9.710
*2494 NNC(=O)[CH](O)[CH](O)[CH](O)[CH](O)CO   16.393
*2496 CCCCCSC(N)=N    8.123
*2508 CN(N=O)S(=O)(=O)CCCCS(=O)(=O)N(C)N=O   10.979
*2542 CC(C)OC[CH](O)CO    8.446
*2578 CCCCNCCO    8.724
*2583 CC(C)[CH](O)[CH](C)N    8.943
*2614 NCCCCCCN    8.493
*2616 CCN(CC)CCN    8.056
*2631 ON(O)NC(=N)NCCN1CCN=C1NN(O)O   34.547
*2662 OC1=CC(=O)C(=CC1=O)O    5.728
*2683 OC1=CC(=C(C=C1)N=O)O   12.215
*2697 COC(=O)C1=CC=C(O1)[N+]([O-])=O    6.863
*2718 COC(=O)C1=C(C(=NC(=N1)O)O)[N+]([O-])=O   14.595
*2731 NC(=O)C1=CC=CN=C1   11.538
*2762 CC1=CC(=CC=[N+]1[O-])[N+]([O-])=O   12.513
*2773 OC(=O)CC1=C(NC=N1)C(O)=O   15.208
*2789 CC1=NC2=CN=CN=C2N1    9.660
*2831 NC(=O)NN=CC1=CC=C(S1)[N+]([O-])=O   12.772
*2843 CNC1=C2N=CSC2=NC=N1   12.804
*2850 CSC1=NC2=CN=CN=C2N1   11.237
*2881 OC(=O)C=CC=CC(O)=O   11.767
*2906 CN1C=CC=CC1=O    7.604
*2926 NC1=CC(=CC(=C1)O)O   13.686
*2942 OC(=O)CCC(=O)CSC#N   12.536
*2975 NC1=CC=C(C=C1N)[N+]([O-])=O   11.577
*3000 NNS(=O)(=O)C1=CC=C(C=C1)[N+]([O-])=O   11.157
*3002 NC(=N)SC1=CC=CC=N1   10.607
*3007 CC1=NNC2=C1N=CN=C2N   13.119
*3028 CN1C(=N)NC2=C(N=CN2)C1=O   16.240
*3037 CSC1=C2N=CNC2=NC(=N1)N    9.550
*3092 CC[C]1(NC(=O)NC1=O)C=O   11.593
*3101 NC1=CC(=C(C=C1)S(O)(=O)=O)N   15.503
*3110 CCS(=O)(=O)C1=CC(=NC(=N1)O)O   15.423
*3195 O[CH](C=O)[CH]1OC(=O)[CH](O)[CH]1O    6.951
*3208 C=CN1CCCC1=O    7.257
*3272 CC1=NC(=C(CS)C=N1)N   10.351
*3287 ON(O)NC(=N)NN=CC1=CC=CO1   19.073
*3310 C[N+]1=CC=CC=C1C=NO   14.001
*3315 CC1=NC(=C(CC(N)=O)S1)C   12.107
*3319 CCOC(=O)C1=CNN=C1C    7.457
*3330 NCC1=CC=C(C=C1)S(N)(=O)=O   10.320
*3333 CSC1=C(C)C=NC(=N1)S(C)(=O)=O    7.483
*3365 NC1=NC(=C2CCCC2=N1)N    9.035
*3387 ON(O)NC(=N)NN=CC1=CC=CC=N1   21.955
*3423 C[CH]1C[CH](C(C)=O)C(=O)O1    7.038
*3431 CCCC(=CC(O)=O)C(O)=O   11.428
*3453 CC[N+]1=CC=CC=C1    9.699
*3454 CCN(C)C1=CC=CO1    3.947
*3476 CC(C)(C)OC(=O)CSC#N    6.613
*3484 CC(C)[CH]1OC(=O)N(C)C1=O    5.609
*3502 CC1=CC(C)(C)SC(=S)N1    3.873
*3527 CCCCCC#C    1.302
*3545 NC(=O)NC1(CCCC1)C(O)=O   12.788
*3577 CC(=C)CCC(C)=O    3.870
*3579 CC[C](C)(O)C#CC    6.036
*3580 C1CC[CH]2OC[CH]2C1    4.060
*3610 CC(=O)OC[CH]1CCCO1    6.573
*3623 CCOC(=O)[CH](C)OC(C)=O    5.283
*3641 COC(=O)CC(O)CC(=O)OC   10.570
*3654 CC[CH]1CCC(C1)=NO    4.971
*3667 C[CH](O)C(=O)NCC(C)=C    7.979
*3695 CCOC(=O)CCC(C)=NO    7.485
*3700 CC(C[CH]1CCS(=O)(=O)C1)=NO    9.166
*3714 COC(=O)CCSC[CH](N)C(O)=O   13.298
*3720 NC(=O)NN=C1CCCCC1    8.752
*3733 C1CCCCCC1    0.470
*3768 N[CH](CCC[CH](N)C(O)=O)C(O)=O   16.273
*3794 CC(C)(C)SCCC=O    5.648
*3806 CCCCCC(=O)OC    3.264
*3818 C[CH]1OCOCC1(C)C    4.159
*3826 CC(C)SCCCC(O)=O    7.740
*3828 CCC[CH](C)OCC(O)=O    6.851
*3832 CCCCCOC(=O)CO    4.071
*3839 CCOS(=O)(=O)C1CCCC1    5.135
*3869 NC1CCCCCC1    4.738
*3894 CC(C)NC(=O)C(C)C    7.117
*3896 CCCNC(=O)CCC    7.117
*3899 CC(C)C(=NO)C(C)C    4.616
*3913 CCCCNC[CH](O)C=O    8.130
*3971 CCC(CC)CNC(N)=O    8.481
*3973 C[CH]1CN(CCO)CCN1   12.507
*3993 CNC(=N)SCCCSC(=N)NC   15.169
*4002 CC[CH](O)CC(C)C    4.631
*4008 OCCCCCCCO    6.268
*4011 CCCC(C)(CO)CO    6.268
*4021 CCOC[CH](O)COCCO   10.378
*4035 CC[CH](C)C[CH](C)N    4.382
*4045 CCCN(C)C[CH](C)O    8.382
*4054 CC(=O)SCC[N+](C)(C)C   15.529
*4066 NCNC1=NC(=NC(=N1)NCN)N(CN)CN   16.338
*4095 [O-][N+](=O)C1=C(C=C2C=NNC2=C1)[N+]([O-])=O   11.251
*4123 OC1=CC=C(C=C1C=O)[N+]([O-])=O    8.159
*4128 OC(=O)C1=CC(=CC=C1)[N+]([O-])=O    9.369
*4147 OC1=C2C=CC=CC2=NN=N1   10.924
*4153 [O-][N+](=O)C1=C(NC#N)C=CC=C1    5.801
*4156 [O-][N+](=O)C1=CC2=C(NC(=N)S2)C=C1   11.320
*4165 CC1=C(C=C(C=C1[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O    9.438
*4173 N1C=NC2=C1C=CC=C2    6.435
*4174 NC1=CC=C(C=C1)C#N    7.735
*4195 NC1=CC(=CC=C1C(O)=O)[N+]([O-])=O   12.821
*4268 OC(=O)C1=CC(=C(O)C=C1)O   14.932
*4273 O[CH]1OCC=C2OC(=O)C=C12    9.971
*4289 C=CC1=CC=CC=N1    5.441
*4303 NC(=O)C1=C(O)C=CC=C1    9.538
*4321 ON=CC1=C(O)C=CC=C1   10.429
*4346 ONC1=CC=C(C=C1)C(O)=O   13.115
*4363 CCOC(=O)C1=CC=C(O1)[N+]([O-])=O    6.742
*4369 CN1N=NC2=C1C=CC=C2    5.504
*4407 NC(=O)CSC1=C2N=CNC2=NC=N1   16.466
*4408 NC(=O)CN1C=NC2=C1N=CN=C2S   14.614
*4436 CC1=C(C=NC=C1)C(N)=O   11.495
*4482 COC(=O)C1=NC(=NC(=C1)O)SC   11.654
*4483 CCOC(=O)C1=CC(=NC(=N1)S)O   11.009
*4533 CCN1C=NC2=C1N=C(O)N=C2O   16.215
*4566 CSCSC1=C2N=CNC2=NC=N1   11.620
*4591 CC(=O)CC1=CC=CO1    5.399
*4618 OC(=O)[CH]1CCC1(C(O)=O)C(O)=O   16.506
*4640 NC1=C(CO)C=CC=C1   10.115
*4642 O=C1CCCC[CH]1C#N    7.674
*4660 CCOC(=O)N1C=CC=C1    4.717
*4664 CCOC(=O)C=C(C)C#N    6.368
*4685 CCOC(=O)C1=C(C)C(=O)ON1    7.648
*4698 NNC(=O)C1=C(N)C=CC=C1   14.485
*4730 CC(=NNC(N)=S)C1=CC=CS1    7.609
*4733 CNC1=C2C=NNC2=NC(=N1)C   12.777
*4739 CN(C)C1=C2C=NNC2=NC=N1   11.509
*4753 CCN1C=NC2=C1N=C(N)N=C2O   12.134
*4791 O[CH]1CN=C2C=CC=CN2C1   10.227
*4801 NC(=O)CC1=CC=C(N)C=C1   12.496
*4813 COC(=O)C1=CC=C(NN)C=C1   10.291
*4815 CNCC1=C(C=CC=C1)[N+]([O-])=O    8.276
*4854 CCOC(=O)C1=C(O)N=C(SC)N=C1    8.431
*4861 COC(=O)CC1=C(NC(=S)N1)C(=O)OC    9.987
*4896 OC[CH](O)CSC1=C2N=CNC2=NC=N1   15.275
*4927 ON(O)NC(=N)NN=CC1=CC=C(C=C1)[N+]([O-])=O   21.476
*4931 CC1=C(C)C=C(O)C=C1    6.166
*4946 CCCC(=O)C1=CC=CS1    5.027
*4956 COC1=CC(=CC=C1)OC    4.724
*4959 COC1=C(OC)C=CC=C1    4.724
*4965 CC1=CC=C(C=C1)S(C)(=O)=O    5.860
*5014 N#C[CH]1C[CH]2CC[CH]1C2    4.488
*5039 NC1=C(SCCO)C=CC=C1   11.570
*5041 CC1=C(O)C(=C(CS)C=N1)CS   11.907
*5044 COC1=CC(=C(OC)C=C1)N    8.177
*5059 CCCOC(=O)N1C=CC=C1    4.593
*5080 CN(CC(O)=O)CC1=CC=CO1    9.360
*5085 CN(C)C1=CC=CC(=C1)S(O)(=O)=O   10.398
*5119 CCOC(=O)C1=C(N)N=C(SC)N=C1   11.000
*5184 CC1=C(C)N=C(C)C(=N1)C    5.364
*5223 CCOC(=O)C(CCCC#N)=NO    9.567
*5238 C[CH](CC(O)=O)[C]1(C)NC(=O)NC1=O   13.440
*5246 NC1=NC(=C2CCCCC2=N1)N    8.914
*5247 N[CH]1CCC2=NC(=NC(=C2C1)O)N   13.431
*5261 CN1N=C(CCN)C2=C1N=CN=C2N   15.654
*5292 C1C[CH]2O[CH]2C[CH]1[CH]3CO3    5.947
*5299 CC(=O)OC1=CCCCC1    2.654
*5300 OC(=O)C[CH]1CCCC=C1    5.936
*5301 CC(=C)COC(=O)C(C)=C    3.526
*5310 CCC(=O)C(C)=C1OCCO1    5.983
*5319 CCCC[CH]1CC(=O)OC1=O    4.312
*5322 CC1=CO[C](C)(CC1)C(O)=O    6.240
*5340 COC(=O)CCC(=O)CC(=O)OC    9.428
*5350 C1C=CC[N+]12CC=CC2   12.910
*5351 O=C1NC[CH]2CCC[CH]1C2    7.706
*5361 C=COCCN1CCCC1=O    8.487
*5390 CC(=O)CC[CH](NC(C)=O)C(O)=O   14.365
*5393 COC(=O)[CH]1CN(CCO)C(=O)C1   14.438
*5395 CCOC(=O)C(NC=O)C(=O)OCC   11.174
*5403 NC(=O)NN=C(C1CC1)C2CC2    8.983
*5480 CC(C)C[C](C)(O)C#C    5.616
*5486 CC(=O)C1CCCCC1    4.045
*5511 C[CH]1CC[C]2(CCCO2)O1    5.292
*5534 CCCCC(=O)OCC=C    3.268
*5578 OC(=O)CCCCCCC(O)=O   10.775
*5588 COCOCCO[CH](C)C(=O)C=O   10.567
*5597 CO[CH]1O[CH]([CH](O)[CH](O)[CH]1O)C(=O)OC   14.267
*5615 CCCC[CH](CC)C#N    3.777
*5618 NC(=O)CC1CCCCC1    7.569
*5633 CC(C)OC(=O)N1CCCC1    6.583
*5637 N[CH](C1CCCCC1)C(O)=O    8.567
*5653 CC1(C)[CH](N)C[CH]1CC(O)=O    9.866
*5655 C=COCCNCCOC=C    6.750
*5704 C=CCNCCNCC=C    8.066
*5734 CN(C)CCN(CC(O)=O)CC(O)=O   15.277
*5736 CN(CCN(C)CC(O)=O)CC(O)=O   15.277
*5745 OCCNC(=O)OCCOC(=O)NCCO   15.294
*5749 NC(=N)SCC1CCCCC1    8.233
*5757 CC(C)C(=O)C(C)(C)C    3.690
*5772 C[CH]1CCCC[CH]1CO    5.064
*5788 CSC(=S)O[CH](C)CC(C)C    4.614
*5789 CCC[C](C)(CC)C(O)=O    5.523
*5808 CCC(CC)OC(=O)CC    3.141
*5814 CCCCCCCC(O)=O    5.523
*5822 CCCC1(C)COCOC1    4.036
*5849 CC(C)CC(=O)OC[CH](O)CO    9.015
*5926 OC[CH](O)CN1CCCCC1   10.052
*5946 CCCCCC(C)=NNC(N)=S    5.636
*5969 CN1CCN(CC1)C[CH](O)CO   13.602
*6017 CCCCCCCCS(O)(=O)=O    7.039
*6018 CCCC[CH](CC)COS(O)(=O)=O    7.228
*6046 CCCCCN(C)CCO    8.259
*6051 CCCCCCCCS(N)(=O)=O    4.812
*6064 O[CH](CNCCS)[CH](O)CNCCS   16.583
*6069 CC[N+](CC)(CC)CC   12.087
*6117 [O-][N+](=O)C1=CC2=C(C=CC=C2)N=N1    8.955
*6144 ON=C1C(=O)NC2=C1C=CC=C2   11.567
*6153 NC1=CC=CC2=C1C(=O)NC2=O   11.442
*6173 CC(=O)C1=CC(=C(O)C(=C1O)[N+]([O-])=O)[N+]([O-])=O    7.682
*6176 SC1=NC2=C(C=CC=C2)N=C1S    5.393
*6180 [O-][N+](=O)C1=CC(=NN1)C2=CN=CC=C2   11.836
*6190 O=CC1=CC=C(C=O)C=C1    7.475
*6254 OC(=O)C(=O)NC1=CC=CC=C1   12.565
*6258 COC(=O)C1=C(C=CC=C1)[N+]([O-])=O    6.863
*6264 CC1=CC=CC(=C1[N+]([O-])=O)C(O)=O    9.326
*6276 COC1=C(O)C(=C(C=O)C=C1)[N+]([O-])=O    8.987
*6280 COC(=O)C1=CC(=C(O)C=C1)[N+]([O-])=O    7.346
*6304 O=C1CN(N=CC2=CC=CO2)C(=O)N1    9.471
*6336 COC1=C(C=CC(=C1)N)C#N    8.963
*6348 C[C]1(NC(=O)NC1=O)C2=CC=CS2   10.039
*6349 NC(=S)NC1=CC=C(C=C1)C(O)=O   11.757
*6355 CNC(=O)C1=CC(=CC=C1)[N+]([O-])=O   10.717
*6362 NC1=CC=C(NC(=O)C(O)=O)C=C1   16.018
*6364 O=C1OCCN1N=CC2=CC=CO2    8.084
*6392 N=C1NNC(=N1)C2=CC=CC=C2   11.434
*6397 O=C(NNCC#N)C1=CC=NC=C1   16.959
*6417 NC(=S)NN=CC1=C(O)C=CC(=C1)[N+]([O-])=O   13.854
*6446 CC1=CC=C(C=C1)C(O)=O    6.921
*6471 COC(=O)C1=CC=C(S)C=C1    5.472
*6475 COC1=CC(=O)C(=CC1=O)C    8.900
*6495 OC(=O)CC1=CC=C(O)C=C1   11.337
*6539 N#C[CH]1C[CH]2C[CH]1C=C2    4.544
*6543 CC1=CC=CC(=C1)C(N)=O    8.613
*6546 CC(=NO)C1=CC=CC=C1    6.324
*6576 CCC1=C(C=CC=C1)[N+]([O-])=O    4.507
*6580 OCNC(=O)C1=CC=CC=C1   11.450
*6591 NC(=O)OCC1=CC=CC=C1    8.496
*6593 COC1=C(C=CC=C1)C=NO    7.676
*6596 OC(=O)CCC1=CC=NC=C1   10.115
*6607 CC1=C(C=CC(=C1)N)C(O)=O   10.374
*6637 COC1=CC(=C(C=C1)[N+]([O-])=O)C    5.857
*6649 CCOC(=O)C1=C(O)C=C(O)N=C1   12.085
*6680 NC(=O)NN=CC1=CC=CC=C1   10.103
*6683 OCCN1N=NC2=C1C=CC=C2    9.818
*6745 CC(=O)C=NNC1=CC=CC=C1    7.165
*6766 CC(=O)C1=CC=C(NC(N)=O)C=C1   12.435
*6767 CC1=CC=C(C=C1)[N+]2=NOC(=C2)O   17.016
*6768 CC1=CC=CC(=C1NC=O)NC=O   10.635
*6773 OC1=CC=CC2=C1N(CCC2)N=O    9.489
*6776 OC(=O)CNC(=S)NC1=CC=CC=C1   10.547
*6799 [O-][N+](=O)C1=CC(=CC=C1)[CH]2NCCO2    9.263
*6834 NC(=O)C(CCC#N)(CCC#N)C#N   17.606
*6839 NC(=O)NC(=N)NC(=O)C1=CC=CC=C1   17.799
*6844 CCOC(=O)CN1C=NC2=C1N=CN=C2S   10.297
*6850 CN1C(=O)N(C)C2=C(N=C(N2)SCC(O)=O)C1=O   18.439
*6856 NC1=NC=NC(=C1N)NC2=CC=CC=N2   19.032
*6857 NC1=NC=NC(=N1)NC2=CC=C(C=C2)S(N)(=O)=O   13.636
*6900 C[CH](C(O)=O)C1=CC=CC=C1    7.231
*6903 CS(=O)(=O)C=CC1=CC=CC=C1    6.106
*6932 CCOC(=O)C1=CC=C(O)C=C1    8.320
*6940 CCOC(=O)C1=CC(=CC=C1)O    8.320
*6945 OC[CH]1COC2=C(O1)C=CC=C2    9.394
*6957 COC1=C(OC)C=C(C=C1)C(O)=O    9.421
*6992 NC1CC2=CC=CC=C2C1    6.403
*7012 C[CH](C(C)=O)C1=CC=CC=N1    8.158
*7029 COC1=C(NC(C)=O)C=CC=C1    9.438
*7058 N[CH](CC1=CC=CC=C1)C(O)=O    9.921
*7062 OCC(=O)NCC1=CC=CC=C1    9.510
*7068 COC1=C(N)C=C(C=C1)C(C)=O    9.688
*7070 N[CH](CC(O)=O)C1=CC=CC=C1   11.219
*7072 CC(=O)C[CH](O)C1=CC=CC=N1   12.595
*7078 COC1=CC=C(CC(N)=O)C=C1   10.272
*7086 COCCOC(=O)C1=CC=NC=C1    9.151
*7106 CCCC1=CC(=C(O)C=C1)[N+]([O-])=O    4.866
*7110 CCOC(=O)C1=CNC(=C1C)C(O)=O   11.764
*7115 CCOC(=O)C1=C(NC=C1C)C(O)=O   11.764
*7127 CCC(=S)NC1=CC=CC=C1    5.326
*7129 CSC(=S)NC1=C(C)C=CC=C1    4.833
*7133 CC(C)=NNC(=O)C1=CC=NC=C1   10.863
*7159 NC1=NC(=C2C[CH](CCC2=N1)C#N)N   12.294
*7187 CCC(=O)NNC1=CC=CC=C1   10.466
*7197 CN(C(N)=O)C1=CC=C(C)C=C1    8.342
*7207 CCOC1=C(NC(N)=S)C=CC=C1    8.165
*7235 N[CH](CO)[CH](O)C1=CC=C(C=C1)[N+]([O-])=O   14.245
*7242 CC(C)NS(=O)(=O)C1=CC=CC(=C1)[N+]([O-])=O    8.190
*7247 CCOC(=O)N1N=C(CC1=O)C(=O)OCC    7.697
*7299 CN1C(=O)N(C)C2=C(N(C)C(=N2)NC(N)=O)C1=O   21.074
*7308 C[CH](CO)C1=CC=CC=C1    6.417
*7341 COC1=CC=C(OCCO)C=C1    9.039
*7393 CC1=C(C)C=C(N)C(=C1)C    5.592
*7395 CC(C)CC1=CC=CC=N1    4.740
*7398 CC1=C(NCCO)C=CC=C1    9.650
*7399 CC1=CC=CC(=C1)NCCO    9.650
*7437 COC(OC)C1=CC(=CC=C1)N    8.842
*7442 CC[N+]1=CC=C(C=C1)C(=O)OC   11.889
*7444 O=C(CSC#N)OC1CCCCC1    6.721
*7451 COCC1=C(CO)C=NC(=C1O)C   15.375
*7460 C[CH](CC(O)=O)C(NC(C)=O)(C(O)=O)C(O)=O   21.326
*7463 CN(C)CSC1=CC=CC=C1    4.439
*7495 CCN(CC)C1=C2N=CNC2=NC=N1   11.255
*7505 CCCCNC1=C2N=CNC2=NC(=N1)O   16.426
*7530 CCCCSC1=C2N=CNC2=NC(=N1)N    9.180
*7538 C[CH](CC1=CC=CC=C1)NN    8.347
*7543 CN(C)CCC1=CC=CC=N1    8.291
*7610 CC#CC1(O)CCCCC1    6.146
*7611 C[CH]1CC=C(C)C[CH]1C=O    3.646
*7621 C=CC(=O)OC1CCCCC1    3.775
*7628 C=CCOCCC(=O)OCC=C    5.328
*7639 CCOC(=O)CC(=C)C(=O)OCC    6.216
*7644 CCOC(=O)[C]1(CC)CCOC1=O    6.243
*7651 CCOC(=O)[CH]1C[C]1(C)OC(C)=O    6.243
*7656 C[CH](O)C(=O)O[CH](C)C(=O)OCC=C    5.971
*7661 CCOC(=O)CC(O)=CC(=O)OCC    9.754
*7681 CCC(CC)(SCC#C)C(N)=O   10.092
*7706 CCCN1C(=O)C=C(N)N(CC)C1=O   10.177
*7766 O[CH]1CCC[CH]2CCC[CH]12    5.297
*7774 C[CH]1CCCC[C]1(O)C=C    5.069
*7776 C[CH]1C[CH](C(C)=O)C1(C)C    3.921
*7778 OC(=O)CCC1CCCCC1    5.757
*7792 OC(=O)CC1CCCCCC1    5.757
*7795 CCCCCOC(=O)C(C)=C    3.347
*7802 CCC(CC)C(=O)OCC=C    3.146
*7821 CC(C)(CCC(O)=O)CCC(O)=O   10.652
*7853 C1CCC2(CC1)CCCN2    4.629
*7873 CCC[CH]1SCC(C)(C)NC1=O    9.322
*7894 CN1CC[C](C)(O)[CH](C1)C(C)=O   11.910
*7902 C[CH]1CCC[CH]1C[CH](N)C(O)=O    8.444
*7925 CCOC(=O)N[CH](CC(C)C)C(O)=O   10.274
*7931 CCOC(=O)[CH](C)CC(C)=NNC(N)=O   11.019
*7980 CCCCC(=O)CCCC    3.567
*7990 CCCC1(O)CCCCC1    4.939
*8014 CCCCCC[CH](C)OC=O    2.759
*8021 CC(C)[CH]1OCOCC1(C)C    3.914
*8032 CCC[CH](C)C(=O)OCCOC    5.073
*8046 CCOC(OCC)C(C)(C)OC=O    6.167
*8067 CN1CCCCCC[CH]1CO    8.492
*8086 CCCN(CCC)C(=O)SCC    4.812
*8106 C[CH](O)CC(C)(C)NC(=O)[CH](C)O    9.115
*8120 CCCCC[CH]1CNCCN1    8.042
*8121 CC(C)(C)NC(=O)NC(C)(C)C    8.016
*8132 CC(C)(C)NC(=S)NC(C)(C)C    5.380
*8144 CCCCCCC(C)(C)O    4.385
*8153 CCC(OC(C)C)OC(C)C    3.558
*8190 CCN(CC)CCC[CH](C)N    7.686
*8191 CCN(CC)CN(CC)CC    4.750
*8207 [O-][N+](=O)C1C(=O)C2=C(C=CC=C2)C1=O   11.470
*8223 OC1=CC(=C2N=CC=CC2=C1)[N+]([O-])=O   12.548
*8228 OC(=O)C1=NC2=C(C=CC=C2)N=C1O   12.124
*8277 OC(=O)CC1=CC=C(C=C1)C#N    9.370
*8304 OC1=C2N=CC=CC2=C(C=C1)S(O)(=O)=O   16.475
*8306 OC(=O)C(=O)CC1=CC=C(C=C1)[N+]([O-])=O   12.158
*8317 OC(=O)CNC(=O)C1=CC(=CC(=C1)[N+]([O-])=O)[N+]([O-])=O   16.951
*8359 CC(=CC1=CC=C(C=C1)[N+]([O-])=O)[N+]([O-])=O    7.668
*8409 OC(=O)CSC(=S)C1=CC=CC=C1    9.520
*8412 O=C1OC(=O)[CH]2[CH]3C[CH](C=C3)[CH]12    4.955
*8429 OC(=O)CC1=C(C=CC=C1)C(O)=O   12.051
*8461 NC(=O)C=CC1=CC=CC=C1    9.578
*8465 CC1=C(O)C=CC(=C1C)SC#N    8.955
*8469 CC1=CC(=CC(=C1O)C)SC#N    8.955
*8485 NC1=CC=CC(=C1)C=CC(O)=O   11.340
*8506 CC1=CC=C(C=C1)C(=O)C[N+]([O-])=O    8.208
*8507 COC1=CC=C(C=C1)C=C[N+]([O-])=O    6.686
*8530 COC(=O)C1=CC(=C(C)C=C1)[N+]([O-])=O    6.821
*8542 CNC(=O)OC1=CC2=C(OCO2)C=C1   10.428
*8550 CCN1C(=CC(=O)C=C1C(O)=O)C(O)=O   15.939
*8556 CCSC1=NC2=CC=CC=C2S1    7.839
*8559 CC(=O)N1C(=N)NC2=C1C=CC=C2   12.010
*8568 NC1=CC=C(C=C1)S(=O)(=O)C2=CNC(=N)S2   15.682
*8594 CC1=NC2=C(C=CC=C2)N=C1C    6.460
*8626 O=C(NC1=CC=CC=C1)OCCC#N   10.921
*8627 COC1=CC2=NC=CN=C2C=C1OC    9.001
*8637 OC(=O)CCC1=NC2=CC=CC=C2N1   11.399
*8645 COC1=CC2=NN=CC(=C2C=C1OC)S   10.022
*8652 OC1=CC=C(C[CH]2NC(=O)NC2=O)C=C1   13.757
*8670 C[CH](NC(=O)C1=CC=C(C=C1)[N+]([O-])=O)C(O)=O   14.423
*8698 OC(=O)CCC(=NNC1=CC=C(C=N1)[N+]([O-])=O)C(O)=O   19.292
*8712 CC(C=O)=CC1=CC=CC=C1    5.600
*8805 OS(=O)(=O)CC(=O)C1=CC=C(C=C1)C(=O)CS(O)(=O)=O   21.282
*8816 CC1=NCCC2=C1C=CC=C2    3.597
*8834 CON=C(C)C(=O)C1=CC=CC=C1    5.301
*8854 CC(=O)C1=CC(=C(C=C1)C(C)=O)N   11.200
*8867 CCOC(=O)C(=O)CC1=CC=CC=N1   10.009
*8869 CNC(=O)OC1=CC=C(C=C1)C(C)=O   10.233
*8871 COC1=C(C=CC=C1)C=C(C)[N+]([O-])=O    6.492
*8944 N[CH](CC1=CNC2=C1C=CC=N2)C(O)=O   16.587
*8947 COC1=CC=C(C=C1OC)C2=NNC(=N)S2   12.215
*8963 OC(=O)CC[CH](NC1=C2N=CNC2=NC=N1)C(O)=O   21.523
*9005 C[CH]1CN(CC2=CC=CO2)C(=S)NC1=O    9.936
*9018 NC1=CC=C(C[CH](NC=O)C(O)=O)C=C1   15.724
*9019 [O-][N+](=O)C1=CC=C(C=C1)N2CCOCC2    8.635
*9022 CCN(CC(O)=O)C(=O)C1=CC=CN=C1   14.561
*9077 CCOC(=O)C1=NC2=C(N1)N(C)C(=O)N(C)C2=O   13.845
*9084 CS[CH](C)C=NNC1=C(C=C(C=C1)[N+]([O-])=O)[N+]([O-])=O   10.487
*9111 CC(=O)C1=C(C)C=CC(=C1)C    4.924
*9133 CC1=CC2=C(OCCSC2)C=C1    5.738
*9141 CC[CH](C(O)=O)C1=CC=CC=C1    7.108
*9145 C[CH](OC(C)=O)C1=CC=CC=C1    4.726
*9230 C[C](O)(C(=O)CO)C1=CC=CC=C1    3.889
*9240 COC1=CC=C(CCC(O)=O)C=C1    8.460
*9279 CC1(C2=CC=CC=C2)S(=O)(=O)CCS1(=O)=O   10.602
*9281 CCCOC(=O)C1=CC(=C(O)C(=C1)O)O   16.162
*9293 CN(C)C1=CC=C(C=C)C=C1    4.358
*9297 CN1CCCC2=C1C=CC=C2    4.257
*9301 CC(C)N=CC1=CC=CC=C1    3.161
*9318 CC(C)(C(N)=O)C1=CC=CC=C1    8.799
*9320 CN(C)C(=O)C1=C(C)C=CC=C1    7.928
*9322 CC(=O)[CH](N)CC1=CC=CC=C1    7.963
*9326 CC(=O)NC1=CC(=C(C)C=C1)C    8.124
*9338 COC1=CC2=C(NCCC2)C=C1    6.796
*9361 OC(=O)CCNCC1=CC=CC=C1   10.876
*9386 COC1=C(NC(C)=O)C=C(C)C=C1    9.395
*9395 C[CH](CC1=CC=CC=C1)OC(N)=O    8.249
*9401 OC(=O)CNCCC1=CC=CC=C1    9.577
*9409 CC(C)CC1=NC(=C(C=C1)C(O)=O)O   10.319
*9422 OCCNC(=O)COC1=CC=CC=C1   13.438
*9459 C1CCN(C1)N=NC2=CC=CC=C2    6.380
*9479 CCOC(=O)C1=C(N=C(SC)N=C1)N2CC2    9.703
*9483 COC1=CC=CC(=C1OC)C=NNC(N)=O   12.559
*9593 CC1=CN([CH]2C[CH](O)[CH](CO)O2)C(=O)NC1=O   16.917
*9603 CCSC1=NC2=C(N1C)C(=O)N(C)C(=O)N2C   11.860
*9614 CCCCCSC1=C2N=CNC2=NC=N1    9.156
*9617 CCCCCSC1=C2C=NNC2=NC=N1    9.162
*9620 CN(C)C1=NC(=C2N=C(C)C(=NC2=N1)C)N   11.426
*9702 CC1=CC=CC(=C1)OC[CH](O)CO    9.081
*9736 OS(=O)(=O)CCCCS(=O)(=O)C1=CC=CC=C1   12.302
*9743 COC(=O)[CH](OC(C)=O)[CH](OC(C)=O)C(=O)OC    9.804
*9778 CN(C)C1=C(CCO)C=CC=C1    8.338
*9785 CC(C)(N)[CH](O)C1=CC=CC=C1   10.281
*9798 CN[CH](C)[CH](O)C1=CC=CC=C1   10.063
*9813 CCOC1=CC(=C(OCC)C=C1)N    7.932
*9829 CCOC(=O)SC1=NC(=CC(C)(C)S1)C    6.285
*9855 CCCCNC1=C2C=NN(C)C2=NC=N1   11.121
*9859 CC(C)CCNC1=C2C=NNC2=NC=N1   12.327
*9867 COCCCNC1=C2C=NN(C)C2=NC=N1   13.176
*9868 CC(C)CCN1C=NC2=C1N=C(N)N=C2O   11.764
*9880 CCCCCSC1=NC2=C(N)N=CN=C2N1   14.197
*9882 CC(C)CCSC1=C2N=CNC2=NC(=N1)N    9.057
*9886 CC(C)[CH]1CC=C(C)C=C1    0.510
*9916 CC(C)[CH]1CCC[C]12NC(=O)NC2=O    8.298
*9922 CCC1(CC(C)C)C(=O)NC(=S)NC1=O    8.321
*9933 O[CH](CC(=O)NCC=C)C(=O)NCC=C   11.334
*9968 CC(=C)[CH]1CC[C]2(C)O[CH]2C1    3.347
*9976 CC(=O)C[CH]1C[CH]2CC[CH]1C2    4.155
*9999 COC1CC2CC1C3COCC23    6.102
*10003 CC(=O)[CH]1C[CH](CC=O)C1(C)C    6.959
*10004 C[CH]1CO[CH](O1)[CH]2CCC=CC2    4.202
*10028 CC(=O)OC[CH]1COC2(CCCC2)O1    7.015
*10029 CCOC(C)=C(C(C)=O)C(=O)OCC    8.000
*10056 C1CCC(=CC1)N2CCCC2    4.023
*10076 CC1(C)[CH](CC[C]1(C)C(N)=O)C(O)=O   12.573
*10100 CCCCCCSC1=CC(=NC(=N1)N)O    8.750
*10122 CCCCC[C]1(CC)NC(=O)NC1=O    7.943
*10141 CC(C)(C)CC(C)(C)SSC1=NNC(=S)S1    5.588
*10164 CC(C)[CH]1CC=C(C1)[CH](C)O    4.801
*10184 CCCC[CH](C(C)=O)C(=O)CC    6.863
*10197 CC(C)(C)C(=O)C(=O)C(C)(C)C    5.967
*10225 CCCC(=O)[CH](C(C)C)C(C)=O    6.863
*10258 CCCCOC(=O)C(=O)OCCCC    4.870
*10283 CCOC(=O)[CH](O)[CH](O)[CH](O)[CH](O)C(=O)OCC    7.252
*10310 CCOC(=O)C=C(C)N(CC)CC    6.455
*10338 CCOC(OCC)[C](C)(NC(C)=O)C(O)=O   14.110
*10342 CCCC(=O)N[CH]1[CH](O)O[CH](CO)[CH](O)[CH]1O   18.807
*10365 C1CN(CCO1)CCN2CCOCC2   11.947
*10379 CCCCCC[C](C)(NC(N)=O)C(O)=O   12.063
*10433 CC[C](C)(O)C=C[C](C)(O)CC    5.955
*10443 CCCCOC(=O)[CH](C)CCC    2.896
*10448 CCCCCC1(C)OCCCO1    3.790
*10516 CC(CO)(CO)CN1CCCCC1    9.807
*10521 CC(C)C[CH](C)NC(=O)OC(C)C    6.200
*10532 CCCC[CH](CC)CCC   -0.724
*10569 CCOC[C](C)(CO)C[CH](C)CO    7.955
*10580 CCO[CH](SCC)[CH](O)[CH](O)[CH](O)[CH](O)CO   14.360
*10584 SCCCCCCCCCCS    2.924
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*14995 CCCCCCCCCCCCS(O)(=O)=O    6.547
*15009 CCCCN(CCCC)CCCC    3.330
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*15234 OC1=CC=C(C=C1C(=O)NC2=CC=CC=C2)[N+]([O-])=O   12.200
*15312 CC1=C(SCC(O)=O)C(=O)C2=C(C=CC=C2)C1=O   15.086
*15321 CC1=CC2=C(NC3=CC=CC=C23)C=C1    6.509
*15359 OC(=O)CC1=CC(=NC=C1)C2=CC=CC=C2   11.353
*15412 CC1=C(C=CC=C1)C2=CC=CC=C2    3.340
*15421 N#CCCNC1=C2C=CC=CC2=CC=C1    9.648
*15475 CCC1=NC(=C2C=NN(C3=CC=CC=C3)C2=N1)O   15.967
*15479 C(CSC1=C2N=CNC2=NC=N1)OC3=CC=CC=C3   11.889
*15481 COC1=CC=C(CSC2=C3N=CNC3=NC=N2)C=C1   11.967
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*15491 COC1=C(C=CC=C1)C=NNC2=CC=C(C=N2)[N+]([O-])=O   12.900
*15507 CC1=CC=C(CSC2=C3N=CNC3=NC=N2)C=C1   10.697
*15525 OC1=C(OCC2=CC=CC=C2)C=CC=C1    8.572
*15535 CC(C)C(=O)C1C(=O)C2=CC=CC=C2C1=O   11.153
*15539 CC1=CC(=O)OC2=C1C=CC(=C2)OCC=C    6.073
*15557 C(CC1=CC=NC=C1)C2=CC=CC=C2    6.079
*15563 C(CC1=CC=CN=C1)C2=CC=CC=C2    6.079
*15592 CNC(=O)OC1=C2C=CC=CC2=CC=C1C    8.461
*15606 CCOC(=O)C1=C2C=C(OC)C=CC2=NC=C1    9.458
*15609 CC(=O)CCCN1C(=O)C2=C(C=CC=C2)C1=O   10.575
*15610 O=C(COC1=CC=CC=C1)NCC2=CC=CO2   10.218
*15612 CC1=CC(=CC=C1O)NS(=O)(=O)C2=CC=CC=C2   10.572
*15668 CN(C)C1=C2N=CN(C3=CC=CC=C3)C2=NC=N1   13.939
*15671 CN(CC1=CC=CC=C1)C2=C3C=NNC3=NC=N2   12.600
*15681 CSC1=NC(=NC2=C1N=CN2CC3=CC=CC=C3)N    9.313
*15689 NN(CC1=CC=CC=C1)C2=CC=CC=C2    7.879
*15692 NC1=CC=C(CCC2=CC=NC=C2)C=C1    9.530
*15703 O[CH](CNC1=CC=CC=N1)C2=CC=CC=C2   13.670
*15727 CC1=CC=C(NC2=C(C=C(N)C=C2)S(O)(=O)=O)C=C1   15.719
*15729 O=C1C=CC(=O)N1CCCCCN2C(=O)C=CC2=O   17.288
*15767 C[CH]1CC2=C(C=CC=C2)C(=O)[CH]1CC(O)=O   10.080
*15780 COC1=C(OC)C=C(C=C1)C=C2CCOC2=O    8.000
*15789 O[CH]1[CH]2CO[CH](O2)[CH]3O[CH](O[CH]13)C4=CC=CC=C4   15.410
*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
*15815 C=CCN(CC=C)C(=O)C1=CC=CC=C1    7.735
*15881 CC1=CC(C)(C)NC(=S)N1C2=C(O)C=CC=C2    8.987
*15882 CC1=CC(C)(C)NC(=S)N1C2=CC=C(O)C=C2    8.987
*15884 CCOC(=O)NN=C1CCCC2=C1C=CC=C2    8.012
*15887 CCOC(=O)[CH](N)CC1=CNC2=C1C=CC=C2   11.075
*15910 C1CCC(CC1)NSC2=NC3=C(S2)C=CC=C3    9.182
*15957 O=C(CC1=CC=CC=C1)OC[CH]2CCCO2    7.668
*15975 CCOC(=O)[C]1(C)O[CH]1C2=CC=C(C)C=C2    6.498
*15985 CCOC(=O)C1=C(O)C(=CC(=C1)CC=C)OC    6.287
*16014 C[CH]1CC[CH]2NC3=C(C=CC=C3)[CH]2C1    5.432
*16035 OC1=CC=C(C=C1)C=NC2CCCCC2    7.130
*16043 O[CH]1CCCC[CH]1NC(=O)C2=CC=CC=C2   12.491
*16052 CCOC(=O)N(CC1=CC=CC=C1)C2CC2    7.799
*16071 CC(C)C[CH](C)OC(=O)C1=CC=C(C=C1)[N+]([O-])=O    6.248
*16141 CCCCCC(=O)NC1=CC(=CC(=C1)N)C(O)=O   15.866
*16147 N[CH](CCSCC1=CC=CC=C1)C(=O)NCC(O)=O   16.943
*16193 CC(C)(C)CC(=O)CC1=CC=CC=C1    4.907
*16200 CCCC(=O)OC1=C(C=CC=C1)C(C)C    3.654
*16204 CC1(C)COC(C)(OC1)C2=CC=CC=C2    5.253
*16213 CC(C)CCOC(=O)C1=CC(=CC=C1)C    3.924
*16224 C[CH]1CCO[CH](CCC2=CC=CC=C2)O1    5.253
*16240 CC[C]1(O[CH](C)[CH](C)O1)C2=CC=CC=C2    5.253
*16298 O=COCCCOCCCOC1=CC=CC=C1    7.423
*16302 CO[CH](C)CCOC(=O)C1=CC=C(OC)C=C1    7.250
*16305 CCCCOCCOC(=O)C1=C(O)C=CC=C1    6.783
*16309 COC1=CC=C(C=C1OC)[CH]2OCC[CH](C)O2    7.955
*16313 COC1=C(OC)C=C(CC(=O)OC(C)C)C=C1    7.059
*16314 COC1=C(OC)C=C(CCCCC(O)=O)C=C1    9.441
*16317 CC1=CC=C(C=C1)S(=O)(=O)OC[CH]2COC(C)(C)O2    9.201
*16341 CCCCCNC(=O)C1=CC=C(C)C=C1    7.777
*16351 CCCCCNC(=O)C1=C(C)C=CC=C1    7.777
*16374 CCCCN(C(=O)OCC)C1=CC=CC=C1    5.857
*16387 OC1=CC(=C(O)C=C1)CNC2CCCCC2   13.578
*16421 CCCCCOC1=CC=C(C=C1)C=NNC(N)=S    8.203
*16444 CN1C(=O)N(C)C2=C(N=C(CN3CCCCC3)N2)C1=O   15.024
*16450 CCCSC1=C2N=CN([CH]3O[CH](CO)[CH](O)[CH]3O)C2=NC(=N1)N   18.103
*16461 OCCCN1CCN(CC1)C2=CC=CC=C2   11.796
*16507 CC(=O)C=C[CH]1C(=CCCC1(C)C)C    3.742
*16508 C[CH]1C=C(C)C[CH](C=CC(C)=O)[CH]1C    3.742
*16552 CCN(CC)CCOC1=CC=C(C)C=C1    6.389
*16556 CCN(CC)C[CH](O)CC1=CC=CC=C1    9.475
*16566 O=C1NC2(CCCCC2)OC13CCCCC3    7.351
*16624 CCCCNC1=NC(=C2N=CNC2=N1)NCCCC   11.635
*16631 OC(=O)C(C1CCCCC1)C2CCCC2    5.620
*16642 CCOC(=O)[CH](CC1CCCCC1)C(C)=O    6.299
*16665 CC1=[N+](CCC2CCCCC2)C(=CS1)C    9.496
*16679 CN(C)CCN(CCN(C)C)C1=CC=CC=N1   13.313
*16722 CCCC1(C)COC2(CCCCC2)OC1    3.777
*16773 CCCCN(CCCC)C(=O)[CH](C)OC(C)=O    8.180
*16807 CCCCCCC(=O)O[CH](C)CC(C)C    2.526
*16823 CCCCCCCC[CH]1OCC[CH](C)O1    3.421
*16839 CCCCCCC1OCC(C)(CC)CO1    3.421
*16845 CCC[CH](OCC)[CH]1CCCO[CH]1OCC    6.376
*16850 CC(C)CO[CH]1CCC[CH](OCC(C)C)O1    6.376
*16866 CCCCCCCCCCNC(=O)[CH](C)O    7.186
*16871 CCCCCCCCCCCC(=O)NCO    9.516
*16903 OCCC[CH](O)CC[CH](O)CC[CH](O)CCCO    9.842
*16939 [O-][N+](=O)C1=CC2=C(C=C1)C3=CC=C(C=C3C2)[N+]([O-])=O    8.583
*16942 OC(=O)C1=C(C2=CC=CC=C2)C(=CC(=C1)[N+]([O-])=O)[N+]([O-])=O   12.886
*17010 [O-][N+](=O)C1=CC=CC(=C1)NC(=O)C2=CC(=CC=C2)[N+]([O-])=O   13.721
*17013 CC1=CC(=C(OC2=C(C=C(C=C2)[N+]([O-])=O)[N+]([O-])=O)C=C1)[N+]([O-])=O   11.097
*17037 NC1=CC=C(N)C2=C1C(=O)C3=C(C=CC=C3)C2=O   15.401
*17043 NC1=CC2=C(C=C1)C(=O)C3=C(C=CC=C3N)C2=O   15.401
*17057 OC(=O)C1=C(C=CC=C1)C(=O)NC2=CC=C(C=C2)[N+]([O-])=O   16.013
*17063 S=C1SC2=C(C=CC=C2)N1C=NC3=CC=CC=C3    5.386
*17156 C1OC2=C(O1)C3=C[N+]4=C(C=CC=C4)C=C3C=C2   17.318
*17171 CC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)[N+]([O-])=O    8.073
*17177 O=C(NOC(=O)C1=CC=CC=C1)C2=CC=CC=C2   10.243
*17187 O=C1N(CC2=CC=CC=C2)S(=O)(=O)C3=C1C=CC=C3    9.662
*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
*17251 C[C]1(NC(=O)NC1=O)C2=C3C=CC=CC3=CC=C2   10.785
*17259 CC(=O)NC1=C(C=CC=C1)C2=C(C=CC=C2)[N+]([O-])=O   11.728
*17270 NC1=C(SSC2=C(N)C=C(C=C2)C(O)=O)C=CC(=C1)C(O)=O   20.611
*17274 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)[N+]([O-])=O   14.947
*17281 CN1C2=C(NC(=S)C3=C1C=CC=C3)C=CC=C2    8.407
*17343 OC(=O)C(O)(C1=CC=CC=C1)C2=CC=CC=C2    9.254
*17376 C[N+]1=C2C=CC=CC2=C3C=CC=CC3=C1   11.845
*17377 NC1=CC2=C(C=C1)C3=C(CC2)C=CC=C3    7.105
*17432 CC1=CC(=O)C(=C(C)N1C2=CC=CC=C2)C(O)=O   12.573
*17465 CC(=NNS(=O)(=O)C1=CC=C(C=C1)[N+]([O-])=O)C2=C(O)C=CC=C2   13.304
*17472 OC1=C2N=CN(CC3=CC=CC=C3)C2=NC(=N1)N4CC4   12.053
*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
*17567 CN1C(=O)N(C)C2=C(N=C(COC3=CC=CC=C3)N2)C1=O   14.096
*17600 C(OCC1=CC=CC=C1)C2=CC=CC=C2    5.250
*17617 COC1=CC=C(C=C1)C2=CC=C(OC)C=C2    5.839
*17639 CC(C)(C)C(=O)C1C(=O)C2=CC=CC=C2C1=O   11.030
*17653 COC1=C(OS(=O)(=O)C2=CC=C(C)C=C2)C=CC=C1    7.712
*17715 OC1=C(CNCC2=C(O)C=CC=C2)C=CC=C1   14.932
*17730 CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C)C=CC=C2    6.547
*17750 CCOC(=O)C(=CC1=CC(=CC=C1)[N+]([O-])=O)C(=O)OCC   10.366
*17809 CN1N=CC2=C1N=C(O)N=C2NC3=C(C)C=C(C)C=C3   15.987
*17819 C(CSSCCNC1=C2N=CNC2=NC=N1)NC3=C4N=CNC4=NC=N3   26.029
*17824 CC1=CC(=CC=C1N)C2=CC=C(N)C(=C2)C   10.201
*17827 C(CC1=CC=CC=N1)NCC2=CC=CC=C2    9.726
*17842 CC1=C(NS(=O)(=O)C2=CC=C(N)C=C2)C(=CC=C1)C   10.000
*17874 CC1=C(N)C(=CC(=C1)C2=CC(=C(N)C(=C2)C)S(O)(=O)=O)S(O)(=O)=O   22.863
*17893 NC(=N)NN=C(C[N+]1=CC=CC=C1)C2=CC=C(C=C2)[N+]([O-])=O   22.268
*17918 CCCCC1=C2C=CC=CC2=CC=C1S(O)(=O)=O    9.198
*17932 CO[CH]1O[CH]2CO[CH](O[CH]2[CH]3S[CH]13)C4=CC=CC=C4   12.943
*17949 CC1=C[N+](=CC=C1)CCC2=CC=CC=C2   10.750
*17963 CC(C)[CH](NC(=O)C=CC1=CC=CC=C1)C(O)=O   12.697
*17973 COC(=O)CSC[CH](NC(=O)C1=CC=CC=C1)C(=O)OC   14.108
*17992 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NN=C(C)[CH]2CCOC2=O   14.498
*17995 CCOC(=O)[CH](NC(C)=O)C(C)=NNC1=C(C=C(C=C1)[N+]([O-])=O)[N+]([O-])=O   16.192
*18009 COC1=CC2=C(CNC[CH](C)O)C=CN=C2C=C1   15.184
*18026 CCN(CC)C(=O)CNC(=O)C1=CC2=C(OCO2)C=C1   12.636
*18057 CC1=C(C=CC=C1)C(=O)OC2CCCCC2    4.157
*18110 COC(=O)CCC[CH](SC1=CC=CC=C1)C(=O)OC    8.682
*18156 CCOC1=CC=C(CC(=S)N2CCOCC2)C=C1    8.870
*18159 CC[CH](C)[CH](NC(=O)CC1=CC=CC=C1)C(O)=O   12.039
*18176 COC1=CC(=CC(=C1OC)OC)[CH]2NC(=O)C(C)(C)O2   12.401
*18187 C[CH](OC(C)=O)[CH](OC(C)=O)[CH](OC(C)=O)[CH](OC(C)=O)C#N   10.697
*18199 CCCCCC[C]1(NC(=O)NC1=O)C2=CC=CN=C2   12.042
*18215 CC1(C)CCC(C)(C)C2=C1C=CC=C2    1.801
*18220 CC1=CC(=C(C)N1)CCC2=C(C)NC(=C2)C    8.572
*18232 CC(=O)C1=CC(=C2C=CC=CN12)C[N+](C)(C)C   21.407
*18301 C[CH]1CCO[CH](O1)C2=CC=C(C=C2)C(C)C    5.210
*18306 O=C1C2(CCCCC2)C(=O)C13CCCCC3    7.437
*18307 C[CH]1C[CH](C)O[CH](CCC2=CC=CC=C2)O1    5.130
*18320 CCC1(OCC(C)(C)CO1)C2=CC=CC=C2    5.130
*18326 CCC1(C)COC(C)(OC1)C2=CC=CC=C2    5.130
*18372 CCOC(=O)[CH](C)[CH](O)C1=CC=C(OC)C(=C1)OC   11.373
*18400 CCCN(C)C(C)(C)C(=O)C1=CC=CC=C1    6.521
*18433 COC1=CC=C(C=C1)[CH]2C[C](C)(O)[CH](O)C[CH]2N   12.932
*18459 CC(C)C[CH](NC(=O)OCC1=CC=CC=C1)C(=O)NN   12.360
*18469 CCCCNC1=C2C=NN([CH]3CCCCO3)C2=NC=N1   13.939
*18490 CCCC(=O)[CH](CCN(C)C)C1=CC=CC=N1   11.094
*18499 COCCCNCC(=O)NC1=C(C)C=CC=C1C   12.156
*18506 CCCCOC1=C(OC)C=CC(=C1)CCC(=O)NN   13.387
*18551 CCOC(=O)[CH]1C2CCC(CC2)[CH]1C(=O)OCC    5.983
*18552 O=C(OC1CCCCC1)C(=O)OC2CCCCC2    5.088
*18561 CCOC(=O)[CH](C)OC(=O)CCC(=O)O[CH](C)C(=O)OCC    9.311
*18580 CCC(C)(C)C1=CC=C(O)C(=C1)CNCCO   13.633
*18582 CCC[N+](C)(C)CCOC(=O)C1=CC=CC=C1   15.538
*18588 CCCCN(CCCC)S(=O)(=O)C1=CC=CC=C1    4.955
*18598 CCN(CC)CCCNC(=O)C1=C(O)C=C(N)C=C1   15.460
*18600 CCN(CC)C1=CC(=CC(=N1)N(CC)CC)C(O)=O   12.955
*18605 CCCC[CH](CC)CNC1=C2C=NN(C)C2=NC=N1   10.629
*18606 CCCCCCNC1=NC2=C(N1C)C(=O)N(C)C(=O)N2C   12.943
*18625 CC(=O)NCCSC(=O)CCCCC(=O)SCCNC(C)=O   16.416
*18626 O=C(SCCSSCCSC(=O)N1CCOCC1)N2CCOCC2   14.129
*18628 O=C(OCCOCCOC(=O)N1CCOCC1)N2CCOCC2   15.120
*18647 C[CH]1CC(C)(C)O[CH](O1)[CH]2CC=CC[CH]2C    3.710
*18650 CCC1(C)COC(OC1)[CH]2CC=CC[CH]2C    3.710
*18652 CC(C)C(=O)O[C](C)(CCC=C(C)C)C=C    2.514
*18654 CCSCCOC(=O)C1C(C=C(C)C)C1(C)C    4.836
*18658 CCOC(=O)[CH](CCC1CCCCC1)C(C)=O    6.177
*18684 COC1=C(OC)C(=CC(=C1)CC[N+](C)(C)C)OC   17.234
*18687 CCOC(=O)CCN([CH](CCSC)C(=O)OCC)C(C)=O   12.572
*18701 CC(=C)CN(CC(C)=C)C(=N)OCC(C)(C)C    6.772
*18705 CO[C]1[CH][CH][CH][CH][C]1N2ON2[C]3[CH][CH][CH][CH][C]3OC    9.435
*18735 CCCCCCCCCCC=CCC(O)=O    4.842
*18748 CCCC[CH](CC)COCCOC(=O)C(C)=C    4.785
*18752 CCC[CH]1O[C](C)(CC(=O)OCC)OC[CH]1CC    6.167
*18783 CCCCCCCCCC[CH](NC(C)=O)C(O)=O   10.208
*18812 CCC(=O)C(CC(C)(C)C)CC(C)(C)C    2.951
*18827 CCCC[CH](CC)COC(=O)[CH](C)CCC    2.402
*18834 CCCCCCCCCCOC(=O)CCC    2.402
*18847 CCCSCCCCCCCCCCC(O)=O    6.879
*18858 CCCS(=O)(=O)CCCCCCCCCCC(O)=O    8.979
*18871 C1CC[N+]2(C1)CCCC[N+]3(CCCC3)CC2   18.231
*18888 CCCCCCCCCCCCCCO    3.770
*18894 CC(C)OC(OC(C)C)C(OC(C)C)OC(C)C    7.052
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*23858 CCCCC(=O)NC1C2=C(OC3=C1C=CC=C3)C=CC=C2   10.429
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*24436 CCN(CC)CCCNC1=C2N=C(OC)C=CC2=CC(=C1)OC   13.580
*24447 CC(C)(C)N1COC2=C(C1)C=C3OCN(CC3=C2)C(C)(C)C    8.866
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*24881 O=C([CH](C1=CC=CC=C1)[N+]2=CC=CC=C2)C3=CC=CC=C3   14.790
*24883 OC(CC1=CC=CN=C1)(C2=CC=CC=C2)C3=CC=CC=C3   11.609
*24887 C1OC2=CC=C3C=CC=CC3=C2CN1CC4=CC=CC=C4    8.040
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*24990 CC(=O)NC1=CC2=C(C=C1)C3=CC=CC=C3[CH]2N4CCOCC4   15.186
*24992 CCOC(=O)C1=CC=C(NC=NC2=CC=C(C=C2)C(=O)OCC)C=C1   11.296
*25008 CC(=O)C1=CC=C(CCCC2=CC=C(C=C2)C(C)=O)C=C1    8.553
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*25065 COC1=CC(=CC(=C1OC)OC)[CH]2NCCC3=C2C=C4OCOC4=C3   13.896
*25071 NC(=O)CCN(CCC(N)=O)C1=CC2=C(C=C1)C3=CC=CC=C3C2   15.767
*25115 CC(C)C1=CC=C(C=C1)C(=O)OCCCC2=CC=CC=C2    5.018
*25129 CCCN(CCC)C1=CC2=C(C=C1)C3=CC=CC=C3C2    5.083
*25133 C1CCN(CC1)[CH](CC2=CC=CC=C2)C3=CC=CC=C3    6.487
*25159 C[C](O)([CH](N1CCOCC1)C2=CC=CC=C2)C3=CC=CC=C3   12.979
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*25177 CCOC(=O)[CH](C#N)[CH](C(C(=O)OCC)C(=O)OCC)C1=CC=CC=C1   12.863
*25185 COC1=CC2=C(NCCNC[CH](O)CO)C3=C(C=CC=C3)N=C2C=C1   20.662
*25190 NCC(CN1CCCC1)(C2=CC=CC=C2)C3=CC=CC=C3   10.475
*25206 CCOC1=CC=C(NC(=O)NC2=CC(=CC=C2C)C(C)C)C=C1   10.728
*25227 N=C(NC1=CC=CC=C1)SCCCCCSC(=N)NC2=CC=CC=C2   16.122
*25236 CC1=CC(=CC2=C1[CH]3CC[C]4(C)[CH](O)CC[CH]4[CH]3C=C2)O   10.780
*25247 CCCCCC[CH](C)CC1=C(O)C(=O)C2=C(C=CC=C2)C1=O    7.434
*25254 CC(C)=C[CH]1[CH](C(=O)OCCC2=CC3=C(OCO3)C=C2)C1(C)C    7.016
*25261 CCN(CC)CCC(C1=CC=CC=C1)C2=CC=CC=C2    6.131
*25273 CN(C)CCOC1=C(CC2=C(C)C=CC=C2)C=CC=C1C    7.642
*25275 CC(C)(C)C1=CC(=C(O)C(=C1)C[N+](C)(C)[O-])C2=CC=CC=C2   17.312
*25308 [O-][N+](=O)C1=CC=CC(=C1)C(=O)N(C2CCCCC2)C3CCCCC3    9.857
*25316 C[CH]1CCC(=O)C2=C3C(=CC(=C12)C)C(C)(C)CC3(C)C    4.686
*25318 CCC1=C2C(=O)CCC2=C3C(=C1)C(C)(C)CCC3(C)C    4.686
*25320 CC(C)(C)C1=C(O)C(=CC(=C1)CC2=CC=CS2)C(C)(C)C    6.742
*25323 CC(C)=C[CH]1[CH](C(=O)SCC2=C(C)C=CC(=C2)C)C1(C)C    4.567
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*25328 C[C]12CC[CH]3[CH](CC=C4CC(=O)CC[C]34C)[CH]1CCC2=O    7.161
*25329 C[C]12CCC(=O)C[CH]1CC=C3[CH]2CC[C]4(C)[CH]3CCC4=O    7.161
*25352 CC[N+](C)(CC)[CH](CC1=CC=CC=C1)C2=CC=CC=C2   14.396
*25372 C[CH]1CCC[C]2(C)[CH]1CCC3=C2C=CC(=C3)C(C)C    1.622
*25377 CCCCCCCCOC(=O)[CH](N)CC1=CNC2=C1C=CC=C2   10.336
*25420 CCN(CC)CCSC(=O)[CH](C1CCCC1)C2=CC=CC=C2    7.975
*25429 CC(C)OC1=CC(=C(C(=O)OCCN2CCC[CH]2C)C(=C1)C)C    8.524
*25451 CCCN(CCC)C[CH](O)CNC1=C2N=CC=CC2=CC(=C1)OC   17.503
*25481 C[C]12CC[CH]3[CH](CC=C4C[CH](O)CC[C]34C)[CH]1CC[CH]2O    6.198
*25482 C[C]12CC[CH]3[CH](CCC4=C[CH](O)CC[C]34C)[CH]1CC[CH]2O    6.198
*25490 CCCCCCCCCCCCC1=CC=C(C=C1)C(O)=O    5.569
*25522 CC(C)C1=C(OC(=O)N2CCCCC2)C=C(C)C(=C1)[N+](C)(C)C   17.717
*25593 CCCCCCCCCCCCCCCCN=C(C)C(O)=O    4.174
*25594 CCCCCCCCCCCC(=O)O[CH](C)C(=O)NCCCC    7.660
*25600 CCCCCCCCCCCC1=NC(C)(C)CN1C[CH](C)O    8.565
*25610 CCCCCCCCCCCCCCCCNC(=O)[CH](C)O    6.447
*25623 CCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC(O)=O   21.409
*25628 CCCC[CH](CC)CC[CH](CC[CH](CC)CCCC)S(O)(=O)=O    5.684
*25634 C[N+]1(CCCCCCC1)CCC[N+]2(C)CCCCCCC2   17.260
*25651 [O-][N+](=O)C1=CC=C(C=C1)C=C2C3=CC=CC=C3C4=CC=C(C=C24)[N+]([O-])=O   10.521
*25662 O=C1OC(=CC1=C2OC(=O)C(=C2)C3=CC=CC=C3)C4=CC=CC=C4    8.511
*25677 C1=CC=C(C=C1)C=C2C3=C(C=CC=C3)C4=CC=CC=C24    5.714
*25686 N#CC(C1=CC=CC=C1)=C(C2=CC=CC=C2)C3=CC=NC=C3   10.790
*25705 OC(=O)C1=C(C=CC=N1)C(=O)NC2=CC3=C(C=C2)C4=CC=CC=C4C3   18.000
*25716 OC1=C(N=NC2=CC3=C(C=C2)C=C(C=C3)S(O)(=O)=O)C4=C(C=CC=C4)C=C1   17.167
*25746 OC1=C(C2=C(C=CC=C2)C=C1)C3=C4C=CC=CC4=CC=C3O   13.370
*25800 CN1C2=C(SC3=C1C=CC(=C3)C=C4SC(=S)N(CC=C)C4=O)C=CC=C2   12.202
*25841 OC(=O)[C](O)(C1=CC=CC=C1)C2=CC=C(C=C2)C3=CC=CC=C3   10.369
*25870 C1CC2=C(C=CC=C2)C(=C1)C3=CCCC4=C3C=CC=C4    4.042
*25916 COC1=CC=CC(=C1)C=CC(=O)C=CC=CC2=CC=CC=C2    8.686
*25922 O[CH](C1=CC=CC=C1)C2=C(C=CC=C2)[CH](O)C3=CC=CC=C3   10.243
*26036 NC(=O)CN1CCC(CC1)=C(C2=CC=CC=C2)C3=CC=CC=C3   12.573
*26052 CC(=NNC(=O)CSCC(=O)NN=C(C)C1=CC=CC=C1)C2=CC=CC=C2   14.627
*26071 CCC(C)(C1=CC=C(OC(C)=O)C=C1)C2=CC=C(OC(C)=O)C=C2    6.788
*26076 CC[C](C)(OC(=O)C1=CC=C(C=C1)C(=O)O[C](C)(CC)C#C)C#C    7.234
*26091 C=CCN(CC=C)[CH](CC1=CC=CC=C1)C2=CC=CC=C2    6.264
*26105 O=C(SCCN1CCCC1)C(C2=CC=CC=C2)C3=CC=CC=C3    9.682
*26106 CCCCCCSC(=S)NC1C2=C(OC3=C1C=CC=C3)C=CC=C2    6.848
*26143 CN(C)CCN(CC1=CC=CC=C1)C2=NC3=C(C=CC=C3)C=C2   12.235
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*26152 C[N+]1(C)CCN(CC1)C(=O)C2C3=C(C=CC=C3)C4=CC=CC=C24   21.592
*26171 CC1=CC=CC(=C1C)NC(=O)OCCOC(=O)NC2=C(C)C(=CC=C2)C   10.695
*26190 COC1=CC=CC(=C1OC)C=NNC(=N)C(=N)NN=CC2=C(OC)C(=CC=C2)OC   18.274
*26235 O[CH]([CH](CN1CCCCC1)C2=CC=CC=C2)C3=CC=CC=C3   10.801
*26245 C[C](CN1CCCC1)(OC2=CC=CC=C2)[CH](O)C3=CC=CC=C3   12.072
*26246 CCCCN(CCO)[CH](C(=O)C1=CC=CC=C1)C2=CC=CC=C2   12.051
*26277 C1CN(CCN1CCC2=CC=CC=C2)CCC3=CC=CC=C3    9.914
*26292 CCC1C(O)N2C3CC1C4C(O)C5(CC24)C3N(C)C6=CC=CC=C56   12.573
*26298 CCN(CC)C1=CC=C(NC(=O)C2=CC(=C(OC)C(=C2)OC)OC)C=C1   14.149
*26342 CCN(CC)C[CH](O)C1=C2C=CC=CC2=C3CCCCC3=C1   10.633
*26368 CCCCN[CH]([CH](O)C1=CC=C(OC)C=C1)C2=CC=C(OC)C=C2   13.366
*26372 CC(=O)OCC(C(=O)OC1CC2C3OC3C(C1)[N+]2(C)C)C4=CC=CC=C4   21.801
*26384 CCN(CC)CCN[CH]([CH](O)C1=CC=CC=C1)C2=CC=CC=C2   14.214
*26391 CCCNS(=O)(=O)C1=CC=C(OCCOC2=CC=C(C=C2)S(=O)(=O)NCCC)C=C1   12.775
*26397 CC(=CC=O)C=CC=C(C)C=CC1=C(C)CCCC1(C)C    2.928
*26404 C[CH]1C=C2[CH]3CC[CH](O)[C]3(C)CC[CH]2[C]4(C)CCC(=O)C=C14    8.313
*26407 CC(=O)[CH]1CC[CH]2[CH]3CCC4=CC(=O)C[C]4(C)[CH]3CC[C]12C    7.311
*26456 O=C(CCCCCC1CCCCC1)OCCC2=CC=CC=C2    3.851
*26488 CCC(CC)COC(=O)C1=C(C=CC=C1)C(=O)OCC(CC)CC    5.420
*26490 CCCCOC(=O)C1=CC=CC(=C1)C(=O)OC[CH](CC)CCCC    5.420
*26516 CCN(CC)CCC[CH](C)NC1=C2C=C(C)C(=CC2=NC=C1)C   11.752
*26523 COC1=CC(=C2N=CC=CC2=C1)NCCCCCCCCCCN   13.381
*26566 C[CH]1C[C]2(C)[CH](CC[CH]3[CH]4CC[CH](O)[C]4(C)CC[CH]23)CC1=O    8.073
*26571 C[CH]1[CH]2CC[CH]3[CH]4CC[CH](O)[C]4(C)CC[CH]3[C]2(C)CCC1=O    8.073
*26583 CC(C)(C)CC(C)(C)C1=CC(=C(O)C(=C1)O)CN2CCCCC2   12.578
*26607 CCCCOC(=O)CC(CC(=O)OCCCC)(OC(C)=O)C(=O)OCCCC    9.423
*26615 CCCCCCCCC1=CC=C(OCCOCCN(C)C)C=C1    7.583
*26617 CCCCCCCCCCCCNCC1=CC=C(O)C(=C1)OC    9.728
*26626 CCCCCCCCC=CCCCCCCCC(=O)OC=C    1.020
*26634 CCCC[CH](C)CCOC(=O)C=CC(=O)OCC[CH](C)CCCC    5.135
*26636 CCCCOCCOCCOC(=O)CCCCC[CH]1CCCC=C1    6.185
*26715 [O-][N+](=O)C1=CC2=C(C=C1)C(=O)N(C3C4=C(OC5=C3C=CC=C5)C=CC=C4)C2=O   13.242
*26720 O=C1N(C2C3=C(OC4=C2C=CC=C4)C=CC=C3)C(=O)C5=C1C=CC=C5   10.839
*26749 CC1=CC=C(NC2=C3C(=O)C4=CC=CC=C4C(=O)C3=C(O)C=C2)C=C1   13.048
*26754 C1=CC=C(C=C1)C2=NC(=NC(=N2)C3=CC=CC=C3)C4=CC=CC=C4    9.262
*26766 COC1=CC=C(C=C1)C(C#N)=C(C2=CC=CC=C2)C3=CC=NC=C3   12.020
*26775 O=C(C=C(C1=CC=CC=C1)C2=CC=CC=C2)C3=CC=CC=C3    7.983
*26782 COC1=C(C=CC=C1)C23C4=CC=CC=C4C2(O)C5=CC=CC=C35   10.827
*26803 O=C(C[N+]1=CC=CC=C1)C2=CC3=C(C=C2)C4=C(C=CC=C4)C=C3   15.719
*26823 O=C1[CH]2CCCC[CH]2C(=O)N1C3=CC4=C(C=C3)C5=CC=CC=C5C4=O   10.648
*26828 CC1=CC=C2N=C(SC2=C1)C3=CC=C(NC(=O)C4=CC=C(N)C=C4)C(=C3)S(O)(=O)=O   23.924
*26854 O=C([CH](CC1=CC=CC=C1)C2=CC=CC=C2)C3=CC=CC=C3    7.071
*26856 COC(C(=O)C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3    8.276
*26880 C[CH]1OC2=CC=C3C=CC=CC3=C2[CH](C)N1C(=O)C4=CC=CC=C4   10.236
*26893 CN(C)C1=CC=C(C=C1)C=C(C2=CC=CC=C2)C3=CC=NC=C3    9.939
*26920 COC1=CC(=CC=C1O)C=C2CCC(=CC3=CC(=C(O)C=C3)OC)C2=O   17.947
*26929 CC1=CC=C(C=C1)N(CC2=CC=CC=C2)CC3=CC=CC=C3    6.210
*26997 O=C1OC2=C(C=CC=C2)[C]1(CCCN3CCOCC3)C4=CC=CC=C4   10.818
*27019 CC(=O)NC1=CC=C(C=C1)C(=O)C[CH](N2CCOCC2)C3=CC=CC=C3   17.388
*27052 CCOC(=O)C(N1CCCCC1)(C2=CC=CC=C2)C3=CC=CC=C3    7.810
*27053 CN1O[CH]2CC[CH]1C[CH](C2)OC(C3=CC=CC=C3)C4=CC=CC=C4    9.186
*27060 CCC(CC)C(=O)OC1=C(C=CC=C1C(=O)N(C)C)C2=CC=CC=C2   10.514
*27098 COC1=CC(=CC(=C1OC)OC)C(=O)NC2=CC=C(C=C2)N3CCCCC3   14.382
*27101 CCN(CC)CCOC(=O)C1=CC=C(C=C1)N=NC2=C(O)C=CC(=C2)NC(C)=O   19.883
*27109 CC1=CC=C(O)C2=C1CC[CH]3[CH]2CC[C]4(C)[CH]3CC[C]4(O)C#C   11.057
*27129 CCC(=O)C(C[CH](C)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2    9.304
*27141 CCOC(=O)C(C[CH](C)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2    8.754
*27146 OCCOC1=C(C=CC=C1)[CH](CC2=CC=CC=C2)N3CCCCC3   12.029
*27211 OC(=O)CCCCCCCCCCSC1=CC2=C(C=CC=C2)C=C1    8.836
*27229 C[C]12CCC(=O)C=C1CC[CH]3[CH]4CC[C](O)(C(=O)CS)[C]4(C)CC(=O)[CH]23   12.863
*27234 C[C]12CCC(=O)C[CH]1CC[CH]3[CH]4CC[C](O)(C(=O)C=O)[C]4(C)CC(=O)[CH]23   13.419
*27274 CCN(CC)CCOC(COC1=CC=CC=C1)COC2=CC=CC=C2   10.481
*27292 CN(C)C(=O)C(CC[N+](C)(C)C)(C1=CC=CC=C1)C2=CC=CC=C2   20.656
*27293 CCCN(CCC)C[CH](O)C1=CC2=C(C=C1)C=C3CCCCC3=N2   13.269
*27302 CCO[CH](C)C(O)(C1=CC=C(C=C1)N(C)C)C2=CC=C(C=C2)N(C)C   12.917
*27310 C[C]12CC[CH](O)CC1=CC[CH]3[CH]2CC[C]4(C)[CH]3CC[C]4(O)C#C    6.860
*27350 CC[N+]1(CCCC1)CCOC(=O)[CH]([CH]2CCC=C2)C3=CC=CC=C3   15.955
*27362 COC1=CC(=C2N=CC=CC2=C1)NCCN(CC(C)C)C3CCCC3   13.177
*27401 CC1=C2CC[CH]3[CH]4CC[C](C)(O)[C]4(C)C[CH](O)[CH]3[C]2(C)CCC1=O    9.572
*27409 CC(=O)[C]1(O)CC[CH]2[CH]3CC[CH]4CC(=O)CC[C]4(C)[CH]3[CH](O)C[C]12C    9.175
*27411 CCCCCCCCCCCC[N+]1=CC2=CC=CC=C2C=C1    9.480
*27426 CC[CH](C)N(CCNC1=C2N=CC=CC2=CC(=C1)OC)CCC(C)C   12.821
*27456 CCCC[CH](CC)CC[CH](CC(C)C)OC(=O)C1=CC=CC=C1    2.860
*27458 CC(=O)O[CH]1CC[CH]2[CH]3CC[CH]4CCCC[C]4(C)[CH]3CC[C]12C    2.963
*27519 CCCCCCCCC=CCCCCCCCC1=NC[CH](C)O1    2.442
*27566 CCCCCCCCCCCCCCCCCCC(CO)CO    4.545
*27607 O=C1OC(=O)[CH]2[CH]1[CH](N3[CH]4[CH]([CH](N23)C5=CC=CC=C5)C(=O)OC4=O)C6=CC=CC=C6   14.114
*27663 CC(=O)NC1=CC2=C(C=C1)C3=CC=CC=C3C2=NC4=CC=CC(=C4)C   11.456
*27664 O=C1N([CH](C=C1NC2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4   11.178
*27722 CN(C)C1=CC=C(C=C1)C=NC2=CC3=C(C=C2)C4=CC=CC=C4C3    7.313
*27745 O=C(C[CH](SCC1=CC=CC=C1)C2=CC=CC=C2)C3=CC=CC=C3    9.043
*27829 C(CC1=CC=CC=C1)N(CC2=CC=CC=C2)CC3=CC=CC=C3    7.593
*27861 OC1=C(CNCC2=CC=CC=C2)C=C(O)C(=C1)CNCC3=CC=CC=C3   19.627
*27889 COC1=CC(=CC(=C1OC)OC)C[CH]2[CH](COC2=O)[CH](O)C3=CC4=C(OCO4)C=C3   16.983
*27896 COC1=CC=C2C=CC=CC2=C1[CH](CC3=CC=C(C)C=C3)NCCO   13.352
*27900 CC1(C)CCC(=O)C2=C1OC3=C(C2C4=CC=CC=N4)C(=O)CCC3(C)C   11.812
*27919 O=C(CCCSCCCC(=O)NN=CC1=CC=CC=C1)NN=CC2=CC=CC=C2   14.381
*27920 C[CH](S[CH](C)C(=O)NN=C(C)C1=CC=CC=C1)C(=O)NN=C(C)C2=CC=CC=C2   14.381
*27931 CCC(CC)(CC)[CH](OC(=O)C1=C(C=CC=C1)C(O)=O)C2=CC=CC=C2    9.387
*27942 CC(C)C1=CC2=C(C=C1)C3=CC(=CC(=C3C=C2)C)[CH](O)CN(C)C   11.533
*27972 O=S(=O)(N1CCOCC1)C2=CC=C(OCCOC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4)C=C2   16.910
*27979 CCCCCCCCCC1=CC=C(OC(=O)C2=CC=CC=C2)C=C1    3.863
*27987 COC1=CC=C(C=C1OC)[CH]2[CH](CO)[CH](CO)CC3=C2C=C(OC)C(=C3)OC   13.924
*27990 CC(C)(C)C1=CC=C(C=C1)C(=O)C[N+]2(C)CCCC3=C2C=CC=C3   15.533
*28014 CCCCOC(C(=O)OCCN(C)C)(C1=CC=CC=C1)C2=CC=CC=C2    9.836
*28022 CCCCNC(=NCCCC)C(C1=CC=CC=C1)C2=CC=CC=C2    7.285
*28027 CCCCN(CCCC)C(=N)C1=CC=C(OCC2=CC=CC=C2)C=C1    8.636
*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
*28044 C[C]12CCC(=O)C=C1CC[CH]3[CH]2CC[C]4(C)[CH]3CC[C]45OCCC5=O    8.625
*28046 COC1=CC=CC(=C1OC)[CH](CC=C)OC(=O)[CH]2[CH](C=C(C)C)C2(C)C    6.419
*28060 O=C(SCCCCN1CCCC1)[CH]([CH]2CCCC=C2)C3=CC=CC=C3    8.016
*28086 CCN(CC)CCCNC1=NC(=CC(=N1)NC2=CC3=C(N)C=C(C)N=C3C=C2)C   18.876
*28112 C[CH]1C[CH]2[CH]3CC[CH](C(C)=O)[C]3(C)CC[CH]2[C]4(C)CCC(=O)C=C14    7.064
*28166 CCCCCCCCCCOC(=O)C1=C(C=CC=C1)C(=O)OCCCC    5.174
*28169 CCCCOC(=O)C1=CC=CC(=C1)C(=O)OCCCCCCCC(C)C    5.174
*28171 C[CH]1CC=CC[CH]1COC(=O)CCCCC(=O)OC[CH]2CC=CC[CH]2C    5.110
*28183 CCCCCCCCOC(=O)C1=CC=C(OCCCN2CCOCC2)C=C1   10.049
*28223 CCCCCN(CCCCC)C[CH](O)CN1CCCC2=C1C=CC=C2   10.767
*28233 CCCCCCCCCCCCCCCCNC1=CC=CC=C1    3.533
*28294 CCCCCCCC(O)(CCCCCCC)CCCCCCC    2.785
*28301 C[N+]1(C)CCC(CCCCCCCCC2CC[N+](C)(C)CC2)CC1   16.893
*28315 OC1=C(N=NC2=CC=C(C=C2)[N+]([O-])=O)C3=C(C=CC=C3)C=C1C(=O)NC4=CC=CC=C4   15.775
*28334 OC1=C2C=CC=CC2=C(C=C1N=NC3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)S(O)(=O)=O)S(O)(=O)=O   29.131
*28346 O=C1CC(=C([CH]1C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4    8.261
*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
*28385 CN(C)C1=CC=C(C=C1)C2=NC(=C(N2)C3=CC=CC=C3)C4=CC=CC=C4   10.453
*28405 CCOC1=C(C=CC=C1)C(=O)N(CC2=CC=CC=C2)CC3=CC=CC=C3   11.263
*28418 CC1(C)[CH](N2CCOCC2)C3=CC4=CC=CC=C4N=C3C5=C1C=CC=C5   12.770
*28427 CC(C)(O)CC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3    8.357
*28464 CCN(CC)CCN1C2=C(SC3=CC=C4C=CC=CC4=C13)C=C(OC)C=C2   11.419
*28480 CCOC(=O)[CH](CC(=O)C1=CC2=C(OCO2)C=C1)CC3=CC(=C(OC)C(=C3)OC)OC   14.975
*28483 CC1=CC=C(C=C1)S(=O)(=O)O[CH](COC(=O)C2=CC=CC=C2)[CH]3O[CH]4OC(C)(C)O[CH]4[CH]3O   19.907
*28532 CCOC(=O)C1=C(C)C(=C(CC2=C(C(=C(N2)C(=O)OCC)C)C(=O)OCC)N1)C(=O)OCC   17.052
*28545 CC(=O)OCC(=O)[C]1(O)CC[C]2(O)[CH]3CCC4=CC(=O)C=C[C]4(C)[CH]3CC[C]12C   11.533
*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
*28551 CCCC(=O)C(CCN(CC)CC)(C1=CC=CC=C1)C2=CC=CC=C2    9.057
*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
*28580 CC1=CC(=C(O)C(=C1)C(C)(C)C)CC2=C(O)C(=CC(=C2)C)C(C)(C)C   10.375
*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
*28620 CC(=NOCC(O)=O)[CH]1CC[CH]2[CH]3CCC4=CC(=O)CC[C]4(C)[CH]3CC[C]12C    9.764
*28640 CC(=O)O[CH]1CC[C]2(C)[CH]3CC[C]4(C)[CH](CC[CH]4[CH]3CCC2=C1)OC(C)=O    5.570
*28648 CC(=O)O[C]1(CC[CH]2[CH]3C[CH]4O[C]45C[CH](O)CC[C]5(C)[CH]3CC[C]12C)C(C)=O   12.633
*28653 CCCCCN(CCCCC)CC[CH](O)C1=C2C=CC=CC2=CC=C1    9.747
*28654 CCCCCN(CCCCC)C[CH](O)C1=C2C=CC=CC2=CC=C1OC   11.099
*28658 CCCCCCCCCCCC1=N[C](C)(COC(=O)C2=CC=CC=C2)CO1    6.329
*28681 CCCCOC1=C(C=CC=C1NC(=O)CN2CCOCC2)C(=O)OCCN(CC)CC   18.364
*28690 CCCCCCCCCCCCCCCCOC(=O)C1=C(O)C=CC=C1    3.496
*28698 CCCCCCCCCCCCCCCCNC(=O)NC1=CC=CC=C1    7.509
*28705 CCCCCCCCC=CCCCCCCCC(=O)OC[CH]1CCCO1    4.662
*28714 CCCCCCCCCCCCCCCCCC1=NCCN1CC=C    3.764
*28716 CCCCCCCCC=CCCCCCCCC(=O)OCCCCC    1.351
*28723 CCCCCCCCCCCCCCCC1=NC(C)(C)CN1C(C)C    3.636
*28744 O=C1OC(=O)C2=C(C3=CC=CC=C3)C4=C(C=CC=C4)C(=C12)C5=CC=CC=C5    8.438
*28749 O1C(=NC(=C1C2=CC=CC=C2)C3=CC=CC=C3)C4=C5C=CC=CC5=CC=N4   12.390
*28769 CN1C(=O)C=C2C3=CC=CC=C3C(=O)C4=C(NC5=C(C=C(C)C=C5)S(O)(=O)=O)C=CC1=C24   22.000
*28810 NC1=C(CC(C2=CNC3=C2C=CC=C3)C4=CNC5=C4C=CC=C5)C=CC=C1   15.309
*28856 CC1=C(C2=C[C]3(C)NC4=CC=CC=C4[CH]3C(C)(C)C2)C5=C(N1)C=CC=C5   10.332
*28890 CCOC(=O)[CH]1[CH](C2=CC=C(OC)C(=C2)OC)C3=C(C=C(OC)C(=C3)OC)C(=O)C1=CO   17.446
*28893 CCCCCC1=CC=[N+](CC(=O)C2=CC=C(C=C2)C3=CC=CC=C3)C=C1   14.278
*28895 O=C(C[N+]1(CCOCC1)CCC2=CC=CC=C2)C3=CC4=C(C=CC=C4)C=C3   19.299
*28897 CCOC(=O)[CH]1[CH](N(C)[CH]([CH](C(=O)OCC)C1=O)C2=CC=CC=C2)C3=CC=CC=C3   15.029
*28911 COC1=CC(=CC=C1O)C(C2=CC=C(C=C2)N(C)C)C3=CC=C(C=C3)N(C)C   13.220
*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
*28969 CCCCCCCCCCOC(=O)NC1C2=C(OC3=C1C=CC=C3)C=CC=C2    9.143
*28990 CC(=O)OC[CH]1OC=C[CH](OC(C)=O)[CH]1O[CH]2O[CH](COC(C)=O)[CH](OC(C)=O)[CH](OC(C)=O)[CH]2OC(C)=O   21.824
*29019 CCN(CC)CCC[CH](C)NC1=C2C=C(OC)C=CC2=NC3=CC(=CC=C13)C   14.034
*29039 C[CH]1C[CH]2[CH](CC[C]3(C)[CH]2CC[C]3(OC(C)=O)C(C)=O)[C]4(C)CCC(=O)C=C14    8.839
*29041 C(COC1CC2CC1C3CC4OC4C23)OCCOC5CC6CC5C7CC8OC8C67   11.921
*29045 C[CH]1C[C]2(C)[CH]3[CH](O)C[C]4(C)[CH](CC[C]4(O)C(=O)COC(C)=O)[CH]3CCC2=CC1=O   11.082
*29050 CCCCN(CCCC)C[CH](O)C1=CC=C(CCC2=CC=CC=C2)C=C1   10.033
*29052 CCCCCN(CCCCC)C[CH](O)C1=C2C=CC=C3CCC(=C23)C=C1    7.810
*29063 CC[N+](C)(CC)CCCC(C(=O)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2   20.286
*29102 CCCCCCCCCCCCCCCCN=CC1=CC2=C(OCO2)C=C1    4.496
*29114 CCCCCCCCCCCCCCCCNC(=S)NN=CC1=C(C=CC=C1)[N+]([O-])=O    7.684
*29126 CCCCCCCCCCCCCCCCOC(=N)C1=CC(=C(O)C=C1)OC    9.045
*29136 CCCCCCCCCCCCCCCCNC(=O)NC1=C(OC)C=CC=C1    8.738
*29147 CC(=C)C[N+](C)(C)CCOCCOC1=CC=C(C=C1)C(C)(C)CC(C)(C)C   15.411
*29150 CCCCCCNCC1=C(O)C(=CC(=C1)C(C)(C)C)CNCCCCCC   11.815
*29154 CCCCCCCCCCOC(=O)C=CC(=O)OCCCCCCCCCC    4.644
*29155 CCCCCC[CH](CC=CCCCCCCCC(=O)OC(C)(C)C)OC(C)=O    4.097
*29170 CCCCCC[CH](CCCCCCCCCCC(=O)OCCCC)OC(C)=O    4.041
*29174 CCCCCCCCOC(=O)CCOCCOCCC(=O)OCCCCCCCC    8.151
*29189 CCCCCCCCCCCCSCCCCCCCCCCCC    0.398
*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
*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
*29287 COC1=CC=C(C=C1)N(CCN(C)C)C(=O)C(C2=CC=CC=C2)C3=CC=CC=C3   13.493
*29343 CCCCN(CCCC)CC[CH](O)C1=C2C=CC=CC2=C3C=CC=CC3=C1   11.004
*29350 CCCCN(CCCC)CCC[CH](O)C1=C2C=CC=CC2=NC3=C1C=CC=C3   13.764
*29359 CC(=O)OC[CH](OC(C)=O)[C]1(O)CC[CH]2[CH]3CCC4=CC(=O)C=C[C]4(C)[CH]3[CH](O)C[C]12C   15.219
*29383 CCC(=O)O[CH]1C[C]2(C)[CH]3CC[C]4(C)[CH](CC[CH]4[CH]3CCC2=CC1=O)OC(=O)CC    8.166
*29386 CC(=O)O[CH]1CC[C]2(C)[CH]3CC[C]4(C)[CH](CC[C]4(OC(C)=O)C(C)=O)[CH]3CC=C2C1    7.893
*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
*29424 COC(=O)CC[CH](C)[CH]1CC[CH]2[CH]3CC[CH]4C[CH](O)CC[C]4(C)[CH]3CC[C]12C    6.910
*29425 COC(=O)CC[CH](C)[CH]1CC[CH]2[CH]3CC[CH]4C[CH](O)CC[C]4(C)[CH]3C[CH](O)[C]12C    8.346
*29432 CCCCN(CC)CCCCCCCCCCN1CCCC2=C1C=CC=C2    5.963
*29437 CCN(CC)CC(=O)NC1=CC(=C(C)C(=C1)NC(=O)CN(CC)CC)NC(=O)CN(CC)CC   22.124
*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
*29519 C1=CC=C(C=C1)C(N=C(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4    6.686
*29528 CC(C)=NN=C1[CH](C(=O)C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C4=C1C=CC=C4   11.529
*29535 C(OC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4    7.437
*29539 CC(C1=C2C=CC=CC2=CC=C1OC(C)=O)C3=C4C=CC=CC4=CC=C3OC(C)=O    9.056
*29572 NC1=C(C=CC(=C1)C(=O)NC2=CC=C(C=C2)C3=NCCN3)C(=O)NC4=CC=C(C=C4)C5=NCCN5   26.090
*29582 CC1=CC=C(C=C1)N=C(C(C2=CC=CC=C2)C3=CC=CC=C3)N4CCCCC4    8.225
*29616 COC1=CC=C(CC(=O)C2=C(OC)C(=C3OC(C)(C)C=CC3=C2O)CC=C(C)C)C=C1   10.444
*29640 CC(=O)O[CH]1CC[CH]2[CH]3CCC4=C[CH](C=C[C]4(C)[CH]3CC[C]12C)C5=CC=CC=N5    6.979
*29642 O=C(OCCN(CCOC(=O)C1=CC=CC=C1)CCC2CCCCC2)C3=CC=CC=C3   10.339
*29643 CCOC(=O)NC1=CC=C(C=C1)C(=O)[CH]([CH](N2CCOCC2)C3=CC=CC=C3)N4CCOCC4   20.886
*29668 COC(=O)C=C1CC[CH]2[CH]3CC=C4C=C(CC[C]4(C)[CH]3C(=O)C[C]12C)N5CCCC5    9.738
*29694 CCN(CC)C1=C(C)C(=CC=C1)NC(=O)OCCOC(=O)NC2=C(C)C(=CC=C2)N(CC)CC   13.886
*29700 CCCCCCCCCCCCN[CH]([CH](O)C1=CC=CC=C1)C2=CC=CC=C2    9.924
*29728 CC=C[C](C=CC)(C(=O)O[CH](C)CN(C)C)[C](C=CC)(C=CC)C(=O)O[CH](C)CN(C)C   11.120
*29731 S=C(SSSSC(=S)N(C1CCCCC1)C2CCCCC2)N(C3CCCCC3)C4CCCCC4    3.157
*29737 CC(C)CCC[CH](C)[CH]1CC[CH]2[CH]3CC[CH]4CC(=O)C[C]4(C)[CH]3CC[C]12C    2.896
*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
*29751 CCCCCCCCCCCCCCCCNC(=S)NN=CC1=CC=C(C=C1)N(C)C    7.079
*29755 CCCCCCCCCCCCCCCC[N+]1(C)CCC[CH]1C2=CN=CC=C2   14.818
*29774 OC(=O)C1=C(O)C=CC(=C1O)N=NC2=C3C=CC=CC3=C(C=C2)N=NC4=C(O)C5=C(C=C4)C(=CC=C5)S(O)(=O)=O   26.192
*29782 C1=CC=C(C=C1)C(=C=C(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4    6.606
*29787 O=C(C=CC1=CC=CC=C1)C2=CC=C(C=C2)C3=CC(=CC=C3)C4=CC=CC=C4    8.863
*29792 O=C(OC1=C(C=CC=C1)C(=O)OC2=CC=CC=C2)C(C3=CC=CC=C3)C4=CC=CC=C4    8.996
*29794 O=C1C2=CC=CC=C2C3=C1C=C(C=C3)N(CC4=CC=CC=C4)CC5=CC=CC=C5   10.154
*29796 CN(C)C1=CC=C(C=C1)C(C2=C(O)C3=C(OC2=O)C=C(O)C=C3)C4=C(O)C5=C(OC4=O)C=C(O)C=C5   23.726
*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
*29828 O=C(C[CH](N1CCN(CC1)CC2=CC=CC=C2)C(=O)C3=CC=CC=C3)C4=CC=CC=C4   15.396
*29840 O=S(=O)(CC1=CC=CC=C1)C(CCCC2=CC=CC=C2)(CCC#N)S(=O)(=O)CC3=CC=CC=C3   15.322
*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
*29898 CCCCN(CCCC)CCCC[CH](O)C1=C2C=CC=CC2=C3C=CC=CC3=C1   10.757
*29907 CCCCCC(=O)OCC(=O)[C]1(O)CC[CH]2[CH]3CCC4=CC(=O)CC[C]4(C)[CH]3C(=O)C[C]12C   12.695
*29916 CCCCCCCC(CCCCCCCC1=CC(=CC=C1)O)C2=CC=C(O)C=C2    9.562
*29919 COC(=O)CC[CH](C)[CH]1CC[CH]2[CH]3CC[CH]4C[CH](CC[C]4(C)C3=CC(=O)[C]12C)OC(C)=O    8.770
*29924 CCCCN(CCCC)CC1=CC2=C(CC[CH]3[CH]2CC[C]4(C)[CH]3CCC4=O)C=C1O   11.943
*29952 CCCCCCCCCCCCCCCCCC[N+]1=CC2=CC=CC=C2C=C1    8.742
*29959 CC(C)CCC[CH](C)[CH]1CC[CH]2[CH]3CC=C4C[CH](O)CC[C]4(C)[CH]3CC[C]12C    3.777
*29998 O=C1C2=CC=CC=C2C3=NC4=CC=C5C(=O)C6=C(C=CC=C6)C7=C5C4=C8C(=N7)C=CC1=C38   18.648
*30020 O1C(=C(C2=CC=CC=C2)C(=C1C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5    6.842
*30060 S=C(NCN(C1=CC=CC=C1)C2=CC=CC=C2)C(=S)NCN(C3=CC=CC=C3)C4=CC=CC=C4   10.757
*30068 COC1=CC=C(C=C1)C(O)(C2=CC=C(OC)C=C2)C(O)(C3=CC=CC=C3)C4=CC=CC=C4   13.712
*30086 CC(C)C1=CC(=C(C)C=C1O)C2(OC(=O)C3=C2C=CC=C3)C4=C(C)C=C(O)C(=C4)C(C)C   14.383
*30115 C[C]1(O)CC[CH]2[CH]3CC[CH]4CC5=NC(=NC=C5C[C]4(C)[CH]3CC[C]12C)C6=CC=CC=C6   10.455
*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
*30159 CC(C)(C)C1=C(O)C(=CC(=C1)C2=CC(=C(O)C(=C2)C(C)(C)C)C(C)(C)C)C(C)(C)C    9.701
*30162 CC[CH](C(C)C)C(=O)OCC(=O)[C]1(O)CC[CH]2[CH]3CCC4=CC(=O)CC[C]4(C)[CH]3[CH](O)C[C]12C   10.590
*30233 NC1=C(C=CC2=C1C(=O)C3=C(C=CC=C3)C2=O)C(=O)NC4=CC5=C(C=C4)C(=O)C6=CC=CC=C6C5=O   24.824
*30248 COC1=CC=C(C=C1)[C]23C4=CC=CC=C4[C]2(C5=CC=C(OC)C=C5)C6=C3C=CC(=C6)OC    9.939
*30265 NC1=C2N=CN([CH]3O[CH](COC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)[CH](O)[CH]3O)C2=NC=N1   25.728
*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
*30277 CCNC1=C2C=CC=CC2=C(C=C1)C(C3=CC=C(C=C3)N(C)C)=C4C=CC(C=C4)=[N+](C)C   18.914
*30285 COC1=CC=C(C[CH](NC(=O)NSC2=CC=CC=C2)C(=O)N[CH]3[CH](O)[CH](O[CH]3CO)N4C=NC5=C(N=CN=C45)N(C)C)C=C1   34.365
*30286 CC(=O)OCC(=O)[CH]1CC[CH]2[C]1(C)CC=C3[C]4(C)CC[CH](C[C]45C=C[C]23[CH]6[CH]5C(=O)OC6=O)OC(C)=O   11.851
*30292 CCCCCCN(CCCCCC)C[CH](O)C1=C2C=CC=CC2=NC(=C1)C3=CC=CC=C3   13.622
*30343 CCCCCCCCCCCCC1=CC(=C(O)C(=C1)CN(C)C)C(C)(C)CC(C)(C)C    7.213
*30345 CCCCCCCCCCC(=O)N([CH]1C[CH](C)CC(C)(C)C1)[CH]2C[CH](C)CC(C)(C)C2    4.903
*30350 CC1=C2C3=C4C(=CC=C3C)C(=O)C5=C(C=CC=C5)C4=C6C7=C(C=CC=C7)C(=O)C(=C26)C=C1   11.914
*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
*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
*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
*30419 COC1=CC2=C(NCCCCCCNC3=CC(=[N+](C)C4=CC=C(OC)C=C34)C)C=C(C)[N+](=C2C=C1)C   22.509
*30445 CCCCCCCCCC[CH](C[N+](C)(C)CC=CC1=CC=CC=C1)[CH](O)C2=CC=CC=C2   17.863
*30465 CCCC[CH](CC)COC(=O)CC(=CC(=O)OC[CH](CC)CCCC)C(=O)OC[CH](CC)CCCC    6.703
*30468 CCCC[CH](CC)COC(=O)C[C](O)(CC(=O)OC[CH](CC)CCCC)C(=O)OC[CH](CC)CCCC    6.979
*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
*30513 CCCCCN(CCCCC)[CH](C)[CH](O)C1=CC(=C2C=CC3=C(C=CC(=C3)C(C)C)C2=C1)C   10.426
*30516 CCCCCCCCCC1CCN(CC1)C(C2=CC=C(NC(C)=O)C=C2)C3=CC=C(NC(C)=O)C=C3   14.184
*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
*30567 CN(C1=CC=C(C=C1)C2=NCCN2)S(=O)(=O)C3=CC=C(OC4=CC=C(C=C4)S(=O)(=O)N(C)C5=CC=C(C=C5)C6=NCCN6)C=C3   20.314
*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
*30590 CCN(CC)CCOC(=O)C1=CC=C(NC(=O)OCCOCCOC(=O)NC2=CC=C(C=C2)C(=O)OCCN(CC)CC)C=C1   22.928
*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
*30612 CCCCCCCCCCCCCCCC[N+](C)(C)CCN(CC1=CC=C(OC)C=C1)C2=NC=CC=N2   15.582
*30618 CCCCCCCCCCCCCCCCSSCCCCCCCCCCCCCCCC   -0.775
*30638 CN(C1=CC=C(C=C1)C2=NCCN2)S(=O)(=O)C3=CC=C(CC4=CC=C(C=C4)S(=O)(=O)N(C)C5=CC=C(C=C5)C6=NCCN6)C=C3   19.706
*30642 O=C(CCCCCCCC(=O)NC1=CC(=CC(=C1)C2=NCCN2)C3=NCCN3)NC4=CC(=CC(=C4)C5=NCCN5)C6=NCCN6   31.910
*30646 CCN(CC)CCOC(=O)C1=CC=C(NC(=O)OCCCCCOC(=O)NC2=CC=C(C=C2)C(=O)OCCN(CC)CC)C=C1   20.750
*30659 O=C(N=C(C1=CC=CC=C1)C2=CC=CC=C2)C3=CC=CC(=C3)C(=O)N=C(C4=CC=CC=C4)C5=CC=CC=C5   10.600
*30675 NC1=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(N)C=C5)S(O)(=O)=O)S(O)(=O)=O   30.622
*30677 CC1=C(C=CC(=C1)NC(=O)C2=CC=C(N)C=C2)N=NC3=CC4=CC(=C(N=NC5=CC6=C(C=C5)C=C(C=C6)S(O)(=O)=O)C(=C4C=C3)O)S(O)(=O)=O   36.115
*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
*30718 C(CN(CCC1=CC=CC=C1)CCC2=CC=CC=C2)N(CCC3=CC=CC=C3)CCC4=CC=CC=C4   11.499
*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
*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
*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
*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
*30863 C1=CC=C(C=C1)C2=CC=C(C=C2)C(C3=CC=C(C=C3)C4=CC=CC=C4)=C(C5=CC=CC=C5)C6=CC=CC=C6    8.836
*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
*30909 COC1=C(C=CC(=C1)C2=CC=C(C(=C2)OC)[N+]3=NC(=NN3C4=CC=C(C=C4)[N+]([O-])=O)C5=CC=CC=C5)[N+]6=NC(=NN6C7=CC=C(C=C7)[N+]([O-])=O)C8=CC=CC=C8   36.524
*30916 CCSC(SCC)[CH](SCC)[CH](OC(=O)C1=CC=CC=C1)[CH](OC(=O)C2=CC=CC=C2)[CH](COC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4   19.371
*30920 CCC(=O)OC[CH]1O[CH](O[CH]2[CH]3COC(=O)[CH]3[CH](C4=CC(=C(OC)C(=C4)OC)OC)C5=C2C=C6OCOC6=C5)[CH](OC(=O)CC)[CH](OC(=O)CC)[CH]1OC(=O)CC   26.910
*30943 COC1=CC=C(CC2=C3C=C(OC)C(=C(CC4=C(OC)C(=CC5=C(CC6=CC=C(OC)C(=C6)OC)N=CC=C45)OC)C3=CC=N2)OC)C=C1OC   23.030
*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
*31031 C[CH]1O[CH](C[CH](O)[CH]1O[CH]2C[CH](O)[CH](O[CH]3C[CH](OC(C)=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]6CC[C]8(C)[CH]([CH](O)C[C]78O)C9=CC(=O)OC9)C5   35.556
