1842
*17 NC(=O)NO   10.266
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*87 CC=NO    5.231
*115 NC(=N)CO   10.959
*154 CCN    4.996
*160 CNOC    5.313
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*170 CNC(=N)NN(O)O   18.065
*224 NC1=CNC(=S)S1    4.983
*238 OC(=O)CC(O)=O   11.390
*268 NC(=O)C1=C(N)NN=N1   15.662
*291 CC(CO)([N+]([O-])=O)[N+]([O-])=O   11.810
*338 NCC=C    5.002
*385 NC(=O)NCCS   10.424
*393 CNC(=S)NC    6.119
*396 ON(O)NC1=NCCN1   18.079
*422 CS(=O)(=O)CS(C)(=O)=O    9.277
*438 ON(O)NC(=N)NCCO[N+]([O-])=O   20.511
*439 C1CNCCN1    8.658
*440 CCC1(C)NN1    4.767
*476 CSCCCO    7.296
*545 CNCCNC    8.302
*579 OC(=O)C1=NC(=NC(=N1)O)O   18.580
*596 OC1=CC(=NC=N1)S    8.939
*620 SC1=CC(=NC=N1)S    4.382
*653 COC(=O)CC#N    7.138
*661 O=C1CSCC(=O)N1    9.690
*666 ON=C1CCOC1=O    6.910
*669 CC1=CSC(=S)N1    3.790
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*697 NS(=O)(=O)C1=CC(=NC(=N1)O)O   16.016
*704 NC1=NC(=NC=C1)S    8.410
*722 C[CH]1SC(=N)NC1=O   11.460
*740 S=C1NCCNC(=S)SSSS1    5.234
*747 NC(=O)C1=C(N)NC=N1   15.264
*776 O=C1CCCO1    3.987
*780 CC(=O)C(C)=O    6.706
*811 OC(=O)C[CH](S)C(O)=O   12.717
*821 S=C1SCCCS1    5.503
*840 C[CH]1OCNC1=O    7.747
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*854 OC(=O)CNCC(O)=O   12.437
*856 CN1CC(=O)NC1=N   11.616
*876 CNCCC#N    8.038
*890 CCC(=O)NC(N)=O    9.845
*945 CC1OCCO1    4.529
*957 O=S1CCOCC1    9.469
*995 CCCC[N+]([O-])=O    4.007
*999 CC(=O)NCCO   11.924
*1013 CSC[CH](N)C(O)=O   10.799
*1060 CCC1CC1    0.717
*1077 CN(C)N1CCOC1=O    9.113
*1159 OC[CH](O)[CH](O)[CH](O)C=O    8.917
*1231 OCCNCCC(O)=O   14.099
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*1253 OCCN1CNC(=O)NC1   11.851
*1255 COC(=O)NCCSC(N)=N   14.420
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*1323 CCS(=O)(=O)CS(=O)(=O)CC    9.031
*1359 CCNN(CC)C(N)=O   10.886
*1364 CC(C)NC(=N)NC(N)=N   15.213
*1367 CC(C)CN(N=O)C(=N)NN(O)O   18.604
*1406 ON=CC1=CC=C(O1)[N+]([O-])=O    8.851
*1421 OC1=C2C=NNC2=NC(=N1)S   13.116
*1435 CN1C=NC(=C1C#N)[N+]([O-])=O    8.516
*1460 OC(=O)C1=CC=CS1    7.230
*1470 OC1=CC=CN=C1    9.134
*1487 OS(=O)(=O)C1=CC=CC=N1    9.893
*1490 OCC1=CC=C(O1)[N+]([O-])=O    9.068
*1503 NC1=NC(=NC(=C1)C(O)=O)O   17.666
*1525 NC1=NC(=C2NC(=S)NC2=N1)O   13.812
*1532 SC1=C2NC(=N)NC2=NC=N1   13.180
*1534 CC1=NC(=N)C2=NSNC2=N1    8.072
*1546 CC1=CC=C(O)N=N1    9.483
*1556 NC(=O)CC1=CSC=N1   12.192
*1625 NC1=NC(=C2NC(=S)NC2=N1)N   13.281
*1651 CC(=C)[CH](O)C#N    4.818
*1689 CC1=CC(=NC(=N1)O)N   12.928
*1700 CC1=C(N)C(=NC(=N1)O)O   16.910
*1701 COC1=NC(=NC(=N1)S)OC    5.876
*1717 N#CCCN1CC1    8.052
*1735 CN1CCC(=O)NC1=O    9.640
*1749 C[CH]1CNC(=S)SSC(=S)N1    5.488
*1759 CNC1=CC(=NC(=N1)N)S    7.971
*1784 COC(=O)C(C)=C    3.839
*1799 CCC=CC(O)=O    6.221
*1805 CC1=CCS(=O)(=O)C1    5.175
*1842 CON=C(C)C(C)=O    4.597
*1857 NCC(=O)CCC(O)=O   12.000
*1860 C[CH](NC(C)=O)C(O)=O   11.315
*1867 CC(=O)OC[CH](N)C(O)=O   11.450
*1878 CCCC1=NNC(=N)O1    8.257
*1884 NC(=O)CC(=N)CC(N)=O   12.848
*1893 C1CCN(C1)C2=NN=NN2    8.122
*1934 CN(C)C1=NC(=CC(=N1)O)N   11.218
*1943 COC(=O)NNC(=O)C(=O)NNC(=O)OC   19.437
*1957 O=CC1CCCC1    4.032
*1980 CCC=CCC(O)=O    5.824
*2017 CCC(C)(C(O)=O)C(O)=O   11.021
*2058 O[CH]([CH](O)[CH](O)C(O)=O)[CH](O)C(O)=O   12.509
*2112 CC(=O)NC(C)(C)C(O)=O   11.192
*2116 CC(C)(S)[CH](NC=O)C(O)=O   12.383
*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
*2196 [O-][N+](=O)CCCCCC[N+]([O-])=O    7.003
*2206 CC(CC[CH](O)CO)([N+]([O-])=O)[N+]([O-])=O   12.876
*2211 CN1CCN(CC1)C(S)=S    6.947
*2213 C[CH]1CNCCN1C(S)=S    7.166
*2252 O[CH](CC=C([CH](O)S(O)(=O)=O)[CH](O)S(O)(=O)=O)S(O)(=O)=O   28.113
*2275 CCC(C)(C)C(O)=O    5.770
*2278 CCOC(C)=CCO    6.166
*2309 C[CH]1CC(C)(C)S(=O)(=O)O1    5.258
*2325 CC(C)COC(=O)CS(O)(=O)=O   10.154
*2339 CS(=O)(=O)OCCOC(=O)COS(C)(=O)=O   11.306
*2349 CCN(CC)C(C)=O    7.022
*2394 CCOC(=O)NC(C)C    6.693
*2404 CC(C)C[CH](N)C(O)=O    8.457
*2444 CC(C)C(C)=NNC(N)=O    8.519
*2450 CCOC(=O)NCCSC(N)=N   14.298
*2498 CN(C)CSC(=S)N(C)C    4.567
*2503 N[CH](CCCNC(N)=N)C(O)=O   17.738
*2543 OCC[S+](CCO)CCO    9.762
*2577 CC(C)OCCCN    6.561
*2583 CC(C)[CH](O)[CH](C)N    8.943
*2644 [O-][N+](=O)C=CC1=CC=C(O1)[N+]([O-])=O    7.863
*2672 OC(=O)C1=CC=CC=N1    9.848
*2697 COC(=O)C1=CC=C(O1)[N+]([O-])=O    6.863
*2720 NC1=C(C#N)C(=NN1)CC#N   14.239
*2731 NC(=O)C1=CC=CN=C1   11.538
*2765 CC(=O)C1=CC(=NC(=N1)O)O   16.240
*2773 OC(=O)CC1=C(NC=N1)C(O)=O   15.208
*2794 COC1=C2C=NNC2=NC=N1    9.979
*2815 CN1C=NC2=C(O)N=C(O)N=C12   16.338
*2831 NC(=O)NN=CC1=CC=C(S1)[N+]([O-])=O   12.772
*2839 CN1N=CC2=C(S)N=CN=C12    7.804
*2843 CNC1=C2N=CSC2=NC=N1   12.804
*2850 CSC1=NC2=CN=CN=C2N1   11.237
*2865 CC1=C(O)C(=O)C=C1    4.873
*2869 OC1=CC(=CC(=C1)O)O   14.217
*2882 OCC1=CC=C(O1)C(O)=O   11.360
*2890 OC(=O)[CH]1CC1(C(O)=O)C(O)=O   16.629
*2931 OC(=O)CN1C=CC=C1    8.842
*2935 C=CCOC(=O)OCC#N    2.652
*2947 OC(=O)C1CC(=O)NC(=O)C1   12.602
*2948 CCOC(=O)C1=C(O)ON=C1   10.297
*2952 O[CH](C1=CC=CC=N1)S(O)(=O)=O   16.312
*2962 ONC(=N)C1=CC=CN=C1   13.318
*2983 CC(=O)C1=CC(=NC(=N1)N)O   12.159
*2986 NC(=O)CC1=NC(=CC(=N1)O)O   20.276
*2993 CC1=CC(=O)N(NC(N)=O)C1=O   17.558
*3030 CS(=O)(=O)C1=NC(=C2N=CNC2=N1)N   15.199
*3037 CSC1=C2N=CNC2=NC(=N1)N    9.550
*3047 CC1=CC=C(N)N=C1    8.561
*3089 CC1=C(CO)C(=NC(=N1)O)O   17.851
*3104 NNC1=C(C=CC=C1)S(O)(=O)=O   14.429
*3110 CCS(=O)(=O)C1=CC(=NC(=N1)O)O   15.423
*3115 N#CCCSCCC#N    9.623
*3117 CC(C)=C1NC(=S)NC1=S    5.963
*3131 NNC(=O)C1=CC=C(O1)C(=O)NN   16.600
*3143 CN1C=NC2=NC=NC(=C12)NN   14.204
*3151 CCSC1=C2N=NNC2=NC(=N1)N    9.824
*3157 CCOC(=S)SCC#C    5.767
*3166 COCC1=CC=CO1    4.159
*3172 CC(=O)[CH]1CCOC1=O    7.161
*3267 ON=C1CC(CC(C1)=NO)=NO   13.536
*3270 NC(=O)NN=C(CCC(O)=O)C(O)=O   17.721
*3271 CC1=NN=C(NCC=C)S1    8.757
*3280 CSC1=C(N)C(=NC=N1)SC    8.876
*3287 ON(O)NC(=N)NN=CC1=CC=CO1   19.073
*3289 NNC(=S)NN=CC1=CC=CN1   12.620
*3297 CC1=C(NN)C=CC=C1    8.057
*3316 O=C1NC(=O)C2(CCCC2)N1    8.668
*3336 CC[CH]1CC(=O)NC(=O)NC1=O   12.565
*3339 CCC[C]1(NC(=O)NC1=O)C=O   11.471
*3340 OCCCC=C1NC(=O)NC1=O   12.757
*3353 CCOC(=O)C=CC(=O)NC(N)=O   12.947
*3365 NC1=NC(=C2CCCC2=N1)N    9.035
*3379 CCN1C=NC2=C(NN)N=CN=C12   14.081
*3404 CC=CC(=O)OCC=C    3.721
*3406 CC(=C)COC(=O)C=C    3.721
*3451 CC1=CC=CC=[N+]1C    9.780
*3466 [O-][N+](=O)CC1=CCCCC1    3.975
*3486 CCOC(=O)N1CCCC1=O    6.460
*3504 CC(C)CC1=CSC(=S)N1    3.420
*3527 CCCCCC#C    1.302
*3564 CCCNC1=CC(=NC(=N1)N)S    7.724
*3576 CCC=COCC=C    1.804
*3577 CC(=C)CCC(C)=O    3.870
*3582 SC(=S)OC1CCCCC1    4.449
*3585 CCCCOC(=O)C=C    3.666
*3586 OC(=O)C1CCCCC1    6.002
*3594 CC(C)COC(=O)C=C    3.666
*3616 COCCOC(=O)C(C)=C    5.648
*3641 COC(=O)CC(O)CC(=O)OC   10.570
*3648 OC[CH](O)[CH](O)[CH]1OC(=O)[CH](O)[CH]1O   10.174
*3670 NC1CCC(CC1)C(O)=O    9.991
*3685 COC(=O)N1CCCCC1    6.706
*3733 C1CCCCCC1    0.470
*3739 CCCCNCCC#N    7.670
*3741 CN(N=O)C1CCCCC1    5.427
*3744 NC(=O)NC1CCCCC1    8.836
*3764 CCOC(=O)N(N=O)C(C)(C)C    7.476
*3768 N[CH](CCC[CH](N)C(O)=O)C(O)=O   16.273
*3793 CC[C](C)(O)C1CC1    5.187
*3795 CCS[CH]1CCC[CH]1O    7.282
*3828 CCC[CH](C)OCC(O)=O    6.851
*3829 CCCCOC(=O)[CH](C)O    4.071
*3832 CCCCCOC(=O)CO    4.071
*3834 CCOCC(=O)COCC    6.222
*3865 CCN1CCCCC1    4.301
*3882 CCCCNC(=O)CC    7.117
*3911 CCN(CC)C[CH](O)C=O    7.910
*3919 CC(C)NC(=O)OC(C)C    6.569
*3927 CSCCCC[CH](N)C(O)=O   10.428
*3948 CCCCCCSC(N)=S    4.000
*3970 CN1CCN(CCO)CC1   12.288
*3971 CCC(CC)CNC(N)=O    8.481
*3988 ON(O)NC(=N)NC1CCCCC1   17.807
*3993 CNC(=N)SCCCSC(=N)NC   15.169
*4002 CC[CH](O)CC(C)C    4.631
*4043 CC[CH](N)[CH](O)C(C)C    8.818
*4045 CCCN(C)C[CH](C)O    8.382
*4059 C[CH](O)CN(C)C[CH](C)O    9.818
*4069 CC(C)NCC(C)(C)N    8.151
*4092 OC(=O)C1=C(O)C(=CC(=C1)[N+]([O-])=O)[N+]([O-])=O    9.156
*4136 OC(=O)C=CC1=CC=C(O1)[N+]([O-])=O   10.293
*4137 OC(=O)C1=CC(=C(C=C1)[N+]([O-])=O)O    9.851
*4156 [O-][N+](=O)C1=CC2=C(NC(=N)S2)C=C1   11.320
*4157 [O-][N+](=O)C1=CC2=C(NC(=S)N2)C=C1    9.065
*4172 N#CCSC1=C2N=CNC2=NC=N1   13.030
*4174 NC1=CC=C(C=C1)C#N    7.735
*4195 NC1=CC(=CC=C1C(O)=O)[N+]([O-])=O   12.821
*4261 OC(=O)C=CC1=CC=CO1    7.889
*4330 CC1=CC(=C(O)C=C1)[N+]([O-])=O    5.112
*4348 CC1=C(O)C=C(C=C1)[N+]([O-])=O    8.613
*4369 CN1N=NC2=C1C=CC=C2    5.504
*4375 NC1=C2NN=CC2=CC=C1    9.896
*4408 NC(=O)CN1C=NC2=C1N=CN=C2S   14.614
*4444 NC(=S)NC1=CC=C(O)C=C1   11.042
*4448 CC1=CC=CC(=C1N)[N+]([O-])=O    6.742
*4482 COC(=O)C1=NC(=NC(=C1)O)SC   11.654
*4508 CN1C=NC2=C(C=NN2C)C1=O   10.932
*4514 COC1=C2N(C)C=NC2=NC=N1    8.640
*4517 CN1C=NC2=C(N(C)C=N2)C1=O   10.924
*4523 CSC1=NC(=C2N=C(C)NC2=N1)O   13.587
*4533 CCN1C=NC2=C1N=C(O)N=C2O   16.215
*4541 NCC(=O)NN=CC1=CC=C(O1)[N+]([O-])=O   13.710
*4551 CSC1=C2NN=C(C)C2=NC=N1    9.613
*4594 CC=C[CH]1OC(=O)C=C1    4.004
*4601 OC(=O)[CH]1CCC(=O)C1=C    9.750
*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
*4673 C[C](N)(C(O)=O)C1=CC=CS1   10.184
*4678 CC1=CC(=C(N)C=C1)S(O)(=O)=O   12.008
*4684 N[CH]([CH](O)C1=CC=CO1)C(O)=O   14.357
*4708 CN(CC1=CC=NC=C1)N=O    9.664
*4732 CC1=C(SC=C1)C=NNC(N)=S    7.690
*4753 CCN1C=NC2=C1N=C(N)N=C2O   12.134
*4797 CCOC(CC)=C(C#N)C#N    7.104
*4801 NC(=O)CC1=CC=C(N)C=C1   12.496
*4813 COC(=O)C1=CC=C(NN)C=C1   10.291
*4840 COC(=O)NN=C(C)C1=CC=CO1    7.947
*4850 CC(=O)NS(=O)(=O)C1=CC=C(N)C=C1   12.315
*4853 CCOC(=O)C1=NC(=NC(=C1)O)SC   11.530
*4880 NC(=N)NC(=O)C1=CC=C(N)C=C1   17.276
*4896 OC[CH](O)CSC1=C2N=CNC2=NC=N1   15.275
*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
*4972 CCCOC(=O)C1=CC=CO1    4.215
*4986 CS(=O)(=O)OCC1=CC(=O)C(=CO1)OS(C)(=O)=O   12.051
*5014 N#C[CH]1C[CH]2CC[CH]1C2    4.488
*5018 NC1=C(CCO)C=CC=C1    9.991
*5028 CC(=O)C[N+]1=CC=CC=C1   12.996
*5044 COC1=CC(=C(OC)C=C1)N    8.177
*5057 CCOC(=O)C1=CNC=C1C    7.068
*5070 CCOC(=O)NCC1=CC=CS1    8.296
*5091 CCOC(=O)[CH]1CN(C)C(=O)C1=O   12.524
*5094 CCOC1=C(N)C=CC(=C1)S(O)(=O)=O   13.156
*5111 CC1=CC=CC(=C1)NNC(N)=O   12.032
*5119 CCOC(=O)C1=C(N)N=C(SC)N=C1   11.000
*5142 CCNC1=C2N(C)C=NC2=NC=N1   11.361
*5179 CC1=C(C)C=C(N)C(=C1)N    9.087
*5196 O=C1N[CH]2CCCC[CH]2C(=O)N1    9.845
*5200 O=C1N[CH](C2CCCC2)C(=O)N1    8.545
*5255 CNC1=NC(=C2C=NN(C)C2=N1)NC   11.051
*5285 CC1(C)CC(=CC(=C1)O)O    4.903
*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
*5306 CC1(C)C(=O)C(C)(C)C1=O    7.463
*5309 CCOC(=O)[CH]1CCC(=O)C1    6.914
*5323 CCOC=C(C(C)=O)C(C)=O    8.866
*5333 CC(C)CC(=CC(O)=O)C(O)=O   11.305
*5351 O=C1NC[CH]2CCC[CH]1C2    7.706
*5355 O=C1C[CH]2CCC[CH](C2)N1    7.706
*5390 CC(=O)CC[CH](NC(C)=O)C(O)=O   14.365
*5408 CCCCSC1=CC(=NC(=N1)N)O    8.996
*5412 NCCNS(=O)(=O)C1=CC=C(N)C=C1   13.350
*5431 CNC1(CCCCC1)C#N    7.903
*5441 CC1(C)NC(=O)C(C)(C)NC1=O    8.273
*5517 CC(C)CCOC(=O)C=C    3.542
*5578 OC(=O)CCCCCCC(O)=O   10.775
*5583 CC(=O)OCCSCCOC(C)=O    8.105
*5654 CC(C)OC(=O)NCC(C)=C    6.502
*5655 C=COCCNCCOC=C    6.750
*5680 CCCCCCCSC#N    3.620
*5724 CCC(CC)C(=O)NC(=O)NC    9.133
*5745 OCCNC(=O)OCCOC(=O)NCCO   15.294
*5754 C1CN(CCO1)N=NN2CCOCC2   12.036
*5760 CC(C)C(C)(C)C(C)=O    3.690
*5772 C[CH]1CCCC[CH]1CO    5.064
*5788 CSC(=S)O[CH](C)CC(C)C    4.614
*5800 CCC[CH]1OCC[CH](C)O1    4.036
*5812 C[CH](O)CC[CH]1CCCO1    8.019
*5822 CCCC1(C)COCOC1    4.036
*5828 CCC(C)(C)SCCC(O)=O    7.618
*5834 CCOCCOCOCC=C    5.863
*5913 CC[CH](C)CC[CH](N)C(O)=O    8.211
*5918 CCCCCCCOC(N)=O    6.664
*5946 CCCCCC(C)=NNC(N)=S    5.636
*5969 CN1CCN(CC1)C[CH](O)CO   13.602
*5974 CCCCCC[CH]1CS(=O)(=O)NN1    7.330
*5986 CC(C)(C)CC(C)(C)O    4.509
*5988 CCCCOCCCC    2.326
*5997 CCCCSCCCCO    6.804
*6009 CCOC(C)(OCC)OCC    5.735
*6021 OCCOCCOCCOCCO   12.309
*6041 CCN(CC)C(C)(C)CO    8.259
*6043 CC(C)NCCC[CH](C)O    8.478
*6046 CCCCCN(C)CCO    8.259
*6058 CCCCN(N)CCCC    6.420
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*15944 C[CH]1CCO[CH](O1)C=CC2=CC=CC=C2    5.636
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*16061 CCC(CC)(NC(=O)C1=CC=CC=C1)C(O)=O   11.650
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*16112 CCCCSC1=CC=C(NC2=NC(=NC=N2)N)C=C1   10.697
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*16147 N[CH](CCSCC1=CC=CC=C1)C(=O)NCC(O)=O   16.943
*16163 CCCN(CCC)C1=CC=C(SC#N)C=C1    6.364
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*16313 COC1=C(OC)C=C(CC(=O)OC(C)C)C=C1    7.059
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*16556 CCN(CC)C[CH](O)CC1=CC=CC=C1    9.475
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*16586 CCCCCC(C)=NNS(=O)(=O)C1=CC=C(N)C=C1    8.662
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*16674 CCCCCCCCC[C]1(C)NC(=O)NC1=O    7.573
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*16886 CCCCN(CCCC)S(=O)(=O)N1CCCCC1    5.378
*16894 CCCCC(O)(CCCC)C(C)(C)C    3.893
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*16928 O=C1C=CC(=O)N1C2=NC(=CC=C2)N3C(=O)C=CC3=O   18.788
*16932 O=C1C=CC(=O)N1C2=C3N=CC=CC3=CC=C2   11.380
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*16971 O=C(CC#N)C1=CC2=C(C=CC=C2)C=C1    9.401
*16993 OC(=O)C1=C(SC2=CC=CC=C2)C=CC(=C1)[N+]([O-])=O   11.604
*17016 [O-][N+](=O)C1=CC=C(C=C1)C2=NN=NN2C3=CC=CC=C3   12.172
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*17063 S=C1SC2=C(C=CC=C2)N1C=NC3=CC=CC=C3    5.386
*17072 OC1=CC2=C(C=C1)C3=C(C=CC=C3)C=C2    8.272
*17088 OC(=O)C1=C2CC3=CC=CC=C3C2=CC=C1    8.472
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*17134 N1C2=C(C=CC=C2)C=C1C3=CC=CC=C3    7.167
*17152 ON=C(C1=CC=CC=C1)C(=O)C2=CC=CC=C2    9.022
*17156 C1OC2=C(O1)C3=C[N+]4=C(C=CC=C4)C=C3C=C2   17.318
*17167 COC(=O)C1=C2NC3=CC=CC=C3SC2=CC=C1    9.747
*17187 O=C1N(CC2=CC=CC=C2)S(=O)(=O)C3=C1C=CC=C3    9.662
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*17267 CC1=C(C(=CC(=C1)[N+]([O-])=O)C)C2=C(C=CC=C2)[N+]([O-])=O    8.106
*17276 NC1=C(C=C(C=C1)S(=O)(=O)C2=CC(=C(N)C=C2)C(O)=O)C(O)=O   22.900
*17281 CN1C2=C(NC(=S)C3=C1C=CC=C3)C=CC=C2    8.407
*17319 CC1=CC=C(C=C1)C(=O)C2=CC=C(O)C=C2    9.652
*17323 CC1=CC=CC(=C1)OC(=O)C2=CC=CC=C2    4.848
*17361 COC(=O)C1=CC=CC(=C1O)C2=CC=CC=C2    6.457
*17372 COC1=C2OC(=CC(=O)C2=C(OC)C3=C1OC=C3)C    9.366
*17403 C[CH](O)C1=CC2=C(NC3=CC=CC=C23)C=C1   10.821
*17410 ON=C([CH](O)C1=CC=CC=C1)C2=CC=CC=C2   11.854
*17416 COC1=CC=C(C=C1)N=CC2=C(O)C=CC=C2    9.218
*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
*17469 CC(=NNS(=O)(=O)C1=CC=C(C=C1)[N+]([O-])=O)C2=C(O)C=C(O)C=C2   17.287
*17482 CC(C1=CC=CC=C1)C2=CC=CC=C2    3.196
*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
*17523 NNC(=O)C(O)(C1=CC=CC=C1)C2=CC=CC=C2   13.323
*17531 CC[CH](NC(=O)C1=NC2=C(C=CC=C2)C=C1)C(O)=O   15.790
*17537 CN(NS(=O)(=O)C1=CC=CC=C1)C(=O)C2=CC=CC=C2   11.606
*17562 CN1C(=O)N(C)C2=C(NC(=S)N2CC3=CC=CC=C3)C1=O   11.154
*17567 CN1C(=O)N(C)C2=C(N=C(COC3=CC=CC=C3)N2)C1=O   14.096
*17573 [O-][N+](=O)C1=C(NCCNC2=C(C=CC=C2)[N+]([O-])=O)C=CC=C1   11.629
*17616 COC1=C(OCC2=CC=CC=C2)C=CC=C1    5.818
*17619 CCC(=O)C1=C2C=CC=CC2=C(OC)C=C1    7.124
*17622 CC(C)C(=O)C1=CC=C2C=CC=CC2=C1O    6.656
*17715 OC1=C(CNCC2=C(O)C=CC=C2)C=CC=C1   14.932
*17760 NC(=N)N(CC1=CC=CC=C1)C2=CC=CC=C2   10.672
*17781 CC1=C(C=CC(=C1)N)N=NC2=C(C)C(=CC=C2)S(O)(=O)=O   14.529
*17787 S=C(NCCC1=CC=CC=C1)NC2=CC=CC=N2   10.572
*17816 NC1=NC2=C(N=CN2)C(=N1)SCCCC3=CC=CC=C3   10.396
*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
*17829 NC1=CC=C(CCC2=CC=C(N)C=C2)C=C1   10.099
*17865 CCOC1=C(NC2=C(C=C(N)C=C2)S(O)(=O)=O)C=CC=C1   16.866
*17872 NS(=O)(=O)C1=CC=C(OCCOC2=CC=C(C=C2)S(N)(=O)=O)C=C1   13.951
*17881 O=C1C(=C(N2CC2)C(=O)C(=C1N3CC3)N4CC4)N5CC5   17.074
*17883 CC1=CC(=C(C=C1)N=NC2=C(C)C=C(N)C=C2)S(N)(=O)=O   12.305
*17890 CN1C=NC(=C1S(=O)(=O)NC2=CC=CC=C2)N(C(C)=O)C(C)=O   12.721
*17904 O=C1[CH]2CC=CC[CH]2C(=O)[CH]3CC=CC[CH]13    7.548
*17926 O[C]1(CCCCC1=O)CC2=CC3=C(OCO3)C=C2    9.003
*17940 CCC(=O)OC1=CC=C(C=C1)C(OC(C)=O)OC(C)=O    9.269
*17949 CC1=C[N+](=CC=C1)CCC2=CC=CC=C2   10.750
*17954 CC1=CC=C[N+](=C1)C[CH](O)C2=CC=CC=C2   15.186
*17978 NNC(=O)C1=C[N+](=CC=C1)CCC2=CC=CC=C2   19.558
*18006 COC1=CC=C(C=C1)[CH](C#N)N2CCCCC2   10.127
*18014 CC1(OCCO1)[CH](N)CC2=CNC3=C2C=CC=C3   13.148
*18022 CC1=CC(=C(C=C1)N2C(=CC(C)(C)NC2=S)C)S(O)(=O)=O   11.293
*18035 CC1=CC=CC(=C1)N2C(=CC(C)(C)NC2=S)C    4.963
*18078 CCOC(=O)[CH](CCC1=CC=CC=C1)C(C)=O    7.652
*18138 COC1=CC=C(C=C1)[CH]2CC(=CC[CH]2N)C    7.042
*18159 CC[CH](C)[CH](NC(=O)CC1=CC=CC=C1)C(O)=O   12.039
*18164 CCCCOC1=CC=C(CN2CCOC2=O)C=C1    9.027
*18171 COC(=O)C=CC1=C(C=CC=C1)N(CCO)CCO   12.810
*18173 CC(C)C1=CC=C(C=C1)C2OCC(C)(CO2)[N+]([O-])=O    8.452
*18184 COC1=CC=C(C=C1)C=N[CH]2[CH](O)O[CH](CO)[CH](O)[CH]2O   16.078
*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
*18204 COC1=C(OC)C(=CC(=C1)C=CC(=O)NCC(=O)NN)OC   17.618
*18207 C1CCN(CC1)CCN2N=NC(=N2)C3=CC=CC=C3    9.167
*18215 CC1(C)CCC(C)(C)C2=C1C=CC=C2    1.801
*18234 CC(C)C1=CC(=C(C)C=C1O)NC(=S)NCC=C   10.251
*18241 CN(C(C)=O)C1=C(C)C(=C(C)C=C1C)NC(C)=O    9.510
*18246 CCOC(=O)C1=C(NC(=O)CNC(C)C)C=CC=C1   12.378
*18248 CCC(CC)(CC1=CC=CC=C1)C(=O)NC(=O)NO   12.313
*18267 CCCCOC(=O)CCC1=NC2=C(N1)N(C)C(=O)N(C)C2=O   13.863
*18292 CC(C)(C)C1=CC(=O)C=C(C1=O)C(C)(C)C    7.785
*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
*18315 C[CH]1CC(C)(C)O[CH](O1)C2=CC=C(C)C=C2    5.210
*18319 CCC1(CC)COC(OC1)C2=CC=CC=C2    5.130
*18334 O=C(OC[CH]1CCC=CC1)[CH]2CCC=CC2    3.225
*18355 COC1=CC=C(C=C1)[CH]2OCC(C)(C)[CH](C)O2    6.480
*18374 CCC(CC)OC(=O)C1=CC(=C(O)C(=C1)OC)OC   10.406
*18399 CCCCNC(=O)C1=CC=C(C=C1)C(C)C    7.656
*18403 C1CCN(CC1)CCOCC2=CC=CC=C2    7.325
*18410 CCC[CH](C)NC(=O)C1=CC=C(OCC)C=C1    8.924
*18422 CCC[C]1(C)NCCO[C]1(O)C2=CC=CC=C2   11.983
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*18432 CCCCOC(=O)C1=CC=C(O)C(=C1)CN(C)C   11.335
*18433 COC1=CC=C(C=C1)[CH]2C[C](C)(O)[CH](O)C[CH]2N   12.932
*18438 COC1=CC=C(C[CH](O)CN2CCOCC2)C=C1   13.114
*18472 CC(C)CSC1=C2N=CN([CH]3O[CH](CO)[CH](O)[CH]3O)C2=NC(=N1)N   17.979
*18490 CCCC(=O)[CH](CCN(C)C)C1=CC=CC=N1   11.094
*18494 CCN(CC)CCOC1=CC=C(NC(C)=O)C=C1   12.373
*18511 CC[N+](C)(CC)CCN1C(=O)C2=C(C=CC=C2)S1(=O)=O   19.646
*18538 CC(C)CCC(C)(C)C1=C(O)C=CC(=C1)O    9.330
*18557 CCOC(=O)[CH]([CH](C)[CH](C(C)=O)C(=O)OCC)C(C)=O   12.108
*18574 CN(C)CC1=CC(=C(O)C(=C1)C)C(C)(C)C    9.058
*18598 CCN(CC)CCCNC(=O)C1=C(O)C=C(N)C=C1   15.460
*18599 CC=CC(=O)NCCN1CCN(CC1)C(=O)C=CC   14.125
*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
*18650 CCC1(C)COC(OC1)[CH]2CC=CC[CH]2C    3.710
*18651 CCCC(=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
*18663 CCOC(=O)C(C1CCCCCC1)C(=O)OCC    5.627
*18732 C[CH]1CO[CH](CCCCCCCCC=C)O1    3.426
*18737 CCC1(CC)COC2(CCC(C)CC2)OC1    3.654
*18748 CCCC[CH](CC)COCCOC(=O)C(C)=C    4.785
*18759 CCCCCCCCCCCC(C(O)=O)C(O)=O   10.037
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*18785 CCCCCCCCC1OCC(CC)(CO1)[N+]([O-])=O    6.541
*18797 C=CC[N+]1(CCCCC1)CCN2CCOCC2   17.793
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*18822 CCCCCCCCC[CH]1OCC[CH](C)O1    3.298
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*18869 CCCCCCCCCCN1CCNCC1    7.209
*18900 CCCCCCCCCCCCNCC    3.303
*18936 OS(=O)(=O)C1=CC2=C(C=C1)C(=O)C3=C(C=CC=C3[N+]([O-])=O)C2=O   17.232
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*19018 OC(=O)C1=CC2=C(NC3=CC=C(C=C23)C(O)=O)C=C1   15.943
*19027 [O-][N+]1=C2NC3=CC=CC=C3C2=[N+]([O-])C4=C1C=CC=C4   20.712
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*19103 [O-][N+](=O)C1=CC=C(C=C1)C(=O)C=CC2=CC=CC=C2    9.039
*19131 NC1=C2N=C(NC2=NC=N1)N=NC3=C(O)C=CC4=C3C=CC=C4   20.710
*19203 CC1=CC(=C2C=C3C(=C(O)C=CC3=CC2=C1)O)O   16.195
*19212 COC1=CC2=C3C=C(C)C(=O)OC3=CC=C2C=C1    7.201
*19219 O=C(C=CS(=O)(=O)C1=CC=CC=C1)C2=CC=CC=C2    9.533
*19228 O=C(CC1=CC=CC=C1)OC2=CC3=C(OCO3)C=C2    8.216
*19256 COC1=CC=C(C=C1)C2=CC3=CC=CC=C3N2    8.396
*19282 CC(=O)NC1=CC=C2C(=C1O)CC3=CC=CC=C23   13.701
*19292 OC(=O)C(=NOCC1=CC=CC=C1)C2=CC=CC=C2    8.863
*19302 O=C(NN=CC=CC1=CC=CC=C1)C2=CC=NC=C2   12.341
*19320 C(C1=NC2=CC=CC=C2C=C1)[N+]3=CC=CC=C3   14.810
*19332 O=C(N1CCCC2=C1C=CC=C2)C3=CC=CC=N3   10.674
*19336 CC1=CC=C(NC(=S)NC(=O)C2=CC=CC=C2)C=C1   10.210
*19367 S=C1SC2=C(C=CC=C2)N1CCNC3=CC=CC=C3    7.728
*19368 S=C1SCN(CN1C2=CC=CC=C2)C3=CC=CC=C3    1.807
*19370 CC(=O)C(=NNC1=CC=CC=C1)N=NC2=CC=CC=C2   10.265
*19409 CC(=O)OC1=CC=C(CC2=CC=CC=C2)C=C1    5.239
*19439 COC(=O)C(O)(C1=CC=CC=C1)C2=CC=CC=C2    6.750
*19450 COC1=CC=C(C=C1)C(=O)C2=C(OC)C=CC=C2    8.167
*19452 CC1(C)CC(=O)C2=C(C1)OC(=O)C3=C2C=CC=C3    7.493
*19474 COC1=C2C=CC(C)(C)OC2=CC3=C1C=CC(=O)O3    7.943
*19540 CCOC1=CC=C(NC(=O)C2=C(O)C=CC=C2)C=C1   10.900
*19552 COC1=CC=C(C=C1)N2C(=O)[CH]3[CH]4CC[CH](O4)[CH]3C2=O   11.287
*19595 CN1C(=O)N(C)C2=C(N(C)C(=N2)NN=CC3=CC(=CC=C3)[N+]([O-])=O)C1=O   16.967
*19606 N[CH](CC1=CC=CC=C1)C(=O)NC2=CC=CC=C2   11.866
*19638 O=C1N[CH]2CCCC[CH]2C(=O)N1OC(=O)C3=CC=CC=C3   10.602
*19665 CCCN1C=NC2=C1N=C(N)N=C2SCC3=C(C=CC=C3)[N+]([O-])=O   11.471
*19692 CC(C)OC(=O)CC1=C2C=CC=CC2=CC=C1    5.613
*19693 COC(=O)C=CC=C1CCCC2=C1C=CC=C2    5.277
*19721 C(CCC1=CC=NC=C1)CC2=CC=CC=C2    5.833
*19722 C(CCC1=CC=CC=N1)CC2=CC=CC=C2    5.833
*19827 C1CCN2CC3=C(C[CH]2C1)C4=C(N3)C=CC=C4    9.614
*19897 CC1(C)O[CH]2O[CH](COC(=O)C3=CC=CC=C3)[CH](O)[CH]2O1   15.110
*19916 CC1=C(N2CCCCC2)S(=O)(=O)C3=CC=CC=C3C1    5.801
*19927 CCC(=O)OCCNC(=O)C=CC1=CC=C(OC)C=C1   12.842
*19929 CCOC(=O)C(CCC1=C(C=CC=C1)[N+]([O-])=O)C(=O)OCC    9.384
*19941 CCC1(CC)C(=O)NC(=O)N(CCC2=NC=CC=C2)C1=O   15.955
*19958 CCN(CC)C(=O)C1=C[N+](=C2C=CC=CC2=C1)C   16.290
*19959 C[CH](CN(C)C)C(=O)C1=CN(C)C2=C1C=CC=C2   10.521
*19963 CCN(CC)CCCN1C(=O)C2=C(C=CC=C2)C1=O   10.461
*19998 CC(C)CC(=O)C1=CC2=C(CCCC2)C=C1    4.664
*20005 CC(C)C1=CC=C(C=C1)[CH](CC=C)OC(C)=O    4.319
*20007 CC(=O)OCC1=CC=C(C=C1)C2CCCCC2    4.547
*20036 CCCCCCCC(=O)OC1=CC2=C(OCO2)C=C1    6.385
*20047 C[CH](CN1CCCCC1)C(=O)C2=CC=CC=C2    8.054
*20084 CCC1(COC(OC1)C2=CC=C(C=C2)C(C)C)[N+]([O-])=O    8.330
*20097 N#CCCOCCN1CCN(CC1)C2=CC=CC=C2   12.672
*20129 COC(=O)CCN1CCN(CC1)C2=CC(=CC=C2)C   10.062
*20131 NC1=CC=C(C=C1)S(=O)(=O)N2CCC[CH]3CCCC[CH]23    8.991
*20132 CCCCN(CCCC)C(=O)C1=CC(=CC=C1)[N+]([O-])=O    9.636
*20139 CCOC(=O)C1=C(NC(=O)CN(CC)CC)C=CC=C1   12.036
*20154 COC1=CC=C(C=C1)C(=O)C[N+]23CN4CN(CN(C4)C2)C3   12.733
*20172 CCCC[C](CC)(CC1=CC=CC=C1)C(O)=O    6.493
*20194 CCCCCCC(=O)OCCC1=CC=CC=C1    4.111
*20197 CCCCCCCC(=O)OCC1=CC=CC=C1    4.111
*20223 CCCCCC(=O)O[CH](C)COC1=CC=CC=C1    5.382
*20247 C[C]1(CC2=CC=CC=C2)OC[CH](CCCCO)O1    9.444
*20289 CC(C)C(=O)OCCN(C)CCC1=CC=CC=C1    7.662
*20293 CCOC(=O)C1=CC=C(OCCN(CC)CC)C=C1    8.500
*20294 CCOC(=O)C1=C(OCCN(CC)CC)C=CC=C1    8.500
*20300 COC(=O)CCC1=CC=C(CN(CCO)CCO)C=C1   13.616
*20312 NC1=CC=C(C=C1)C(=O)NCCSCCN2CCOCC2   18.959
*20318 C[N+](C)(C)CCN(CC1=CC=CS1)C2=CC=CC=N2   19.633
*20388 CCCCC1=CC(=C(O)C=C1)CN(CC)CC    8.854
*20398 CCCCN(CCCC)S(=O)(=O)C1=CC=C(C)C=C1    4.910
*20417 CCCCN(CCCC)NC(=S)NC1=CC=CC=C1    8.018
*20428 CC[N+](C)(CC)CCN1C(=O)[CH]2CC=CC[CH]2C1=O   18.251
*20436 CC[CH]1C[CH](C(C)=C)C(=C1C)CC[CH](C)O    4.170
*20461 CCCCCCCCCCCCOC(=O)CSC#N    5.627
*20469 CC(C)(C)OC1=NC(=NC(=N1)OC(C)(C)C)OC(C)(C)C    5.614
*20486 CC(C)COC(=O)CCCCCCCCC=C    2.408
*20519 CCCCOC(=O)CCCCCC(=O)OCCCC    5.149
*20545 C[N+]1(C)CCC[CH](C1)C#CC[N+]2(C)CCCC2   18.959
*20549 C(CCN1CCCCC1)CCN2CCCCC2    7.223
*20569 CCCCCCCCCCCCCCOC=O    2.020
*20583 CCCCCCCCC1OCC(C)(CC)CO1    3.175
*20618 CCCCCCCCCCCCOC[CH](O)CO    7.338
*20642 OC(=O)C1=CC=CC2=C1C(=O)C3=C(C=CC=C3)C2=O   13.194
*20647 N#CC1=C2C=CC=CC2=CC3=C1C=CC=C3    6.305
*20704 CC(=O)NC1=CC2=C(C=C1)C(=O)C3=C(C=CC=C3)C2=O   14.439
*20731 N#C[CH]([CH](C#N)C1=CC=CC=C1)C2=CC=CC=C2    9.959
*20755 OS(=O)(=O)C1=CC=C(C=C1)N=NSC2=CC3=C(C=CC=C3)C=C2   12.078
*20782 NC1=CC2=CC(=C(N=NC3=CC=C(C=C3)[N+]([O-])=O)C(=C2C=C1)O)S(O)(=O)=O   22.012
*20803 CC(=O)OC1=C2C=CC=CC2=C3C=CC=CC3=C1    6.209
*20808 CCOC(=O)C1=C2C(=CC=C1)C(=O)C3=C2C=CC=C3    8.237
*20814 OC(=O)C=CC1=CC=C(OC(=O)C2=CC=CC=C2)C=C1   10.511
*20831 COC1=CC2=C(C(=C1)O)C(=O)C(=C(O2)C3=CC(=C(O)C=C3)O)O   17.426
*20875 CC1=C2C=CC=CC2=NC(=C1)SC3=CC=CC=C3    6.764
*20904 C(NC1=C2C=NN(C3=CC=CC=C3)C2=NC=N1)C4=CC=CO4   16.353
*20911 NC1=C(C=CC=C1)C=CC2=CNC3=C2C=CC=C3   11.143
*20919 COC1=CC=C(C=C1)C2=C(N)C=C3C=CC=CC3=N2   11.955
*20922 O=C(C[N+]1=CC=NC=C1)C2=CC3=C(C=CC=C3)C=C2   15.092
*20925 O=C1CN(CC2=CC=CC=C2)C(=S)N1C3=CC=CC=C3    8.167
*20929 O=C1NC(=O)[C](CC2=CC=CC=C2)(N1)C3=CC=CC=C3   10.866
*20930 CC1=CC=C(C=C1)[C]2(NC(=O)NC2=O)C3=CC=CC=C3   10.947
*20937 NC1=C2C=CC(=CC2=CC=C1)S(=O)(=O)NC3=CC=CC=C3   11.095
*20940 C[N+]1=C(OC2=C1C=CC=C2)C=CC3=CC=C(C=C3)[N+]([O-])=O   14.876
*20958 OC1=C(C=NCCN=CC2=CC(=CC=C2O)[N+]([O-])=O)C=C(C=C1)[N+]([O-])=O   18.332
*20980 CC(=O)CC(=O)C1=CC=C(C=C1)C2=CC=CC=C2    9.295
*21007 CCC(=O)C1=CC=C(OC(=O)C2=CC=CC=C2)C=C1    7.509
*21011 COC1=CC=C(C=C1)C(=O)CC(=O)C2=CC=CC=C2   10.112
*21015 COC(=O)C1=C(C=CC=C1)C(=O)C2=CC=C(OC)C=C2    9.131
*21047 NCCC1=CC2=C3C=CC=CC3=CC=C2C=C1    8.111
*21086 O[CH]([CH](N=CC1=CC=CC=C1)C(O)=O)C2=CC=CC=C2   12.642
*21105 NC(=N)NC(=O)C1C2=C(CC3=C1C=CC=C3)C=CC=C2   15.699
*21107 CCOC1=C(C=CC=C1)C=NNC2=NC3=CC=CC=C3O2   11.385
*21125 CN1C=C(CCC2=CC=NC=C2)C3=CC=CC=C13    8.535
*21133 CC(C=CC1=CC=C(O)C=C1)=NNC2=CC=CC=C2   10.383
*21141 CC1=C(NC(=O)C(=O)NC2=C(C)C=CC=C2)C=CC=C1   11.228
*21153 CC(=NO)C1=CC=C(OC2=CC=C(C=C2)C(C)=NO)C=C1   12.040
*21157 COC1=CC2=C(C=C1OC)N=C3C=C(OC)C(=CC3=N2)OC   12.467
*21166 CNC(=O)C1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC   15.492
*21173 CN(C)C1=CC(=C(C=C1)N=NC2=CC=C(C=C2)[N+]([O-])=O)C=C    9.325
*21175 CN1C(=O)N(C)C2=C(N=C(CC=CC3=CC=CC=C3)N2)C1=O   12.963
*21194 CC(C)C(=O)C1=CC=C(C=C1)C2=CC=CC=C2    5.876
*21239 COC1=C(CC(=O)C2=C(OC)C=CC=C2)C=CC=C1    8.558
*21258 COC1=CC(=CC=C1)[CH](O)C(=O)C2=CC=CC(=C2)OC    9.365
*21259 COC1=C(C=CC=C1)[CH](O)C(=O)C2=C(OC)C=CC=C2    9.365
*21264 COC1=C(OC(=O)C2=CC=CC=C2)C=CC(=C1)[CH](C)O   10.390
*21266 COC1=C(O)C=CC(=C1)CC(=O)C2=CC=C(O)C(=C2)OC   16.523
*21278 O=C1CCCC[CH]1NC2=CC3=C(C=CC=C3)C=C2    8.248
*21279 O=CNC(CC1=CC=CC=C1)CC2=CC=CC=C2    9.413
*21303 CCOC(=O)[CH](NC1=CC=CC=C1)C2=CC=CC=C2    7.672
*21307 CN(C)C1=CC=C(C=C1)C(=O)[CH](O)C2=CC=CC=C2    8.708
*21329 N[CH]([CH](O)C1=CC=CC(=C1)OCC2=CC=CC=C2)C(O)=O   16.678
*21359 CN1C(=O)N(C)C2=C(N=C(CCNC(=O)C3=CC=CC=C3)N2)C1=O   18.790
*21382 CC(C)(C1=CC=C(N)C=C1)C(=O)C2=CC=C(N)C=C2   12.759
*21386 CC(CCC1=CC=C(O)C=C1)=NNC2=CC=CC=C2   10.000
*21456 C(COC1=CC=CC=C1)OCCOC2=CC=CC=C2    7.545
*21466 COC1=CC=C(C=C1)C(=O)CC(=O)[CH]2CCCCC2=O   12.567
*21514 C[CH]1CCCN(C1)C2=C(O)C=CC3=C2C=CC=C3    8.924
*21529 CCOC1=C(O)C=CC(=C1)C[CH](N)C2=CC=CC=C2   12.271
*21539 CCN(CC1=CC=C(C=C1)S(O)(=O)=O)C2=CC=CC(=C2)C   11.325
*21545 CCN(CC)C1=CC=C(C=CC2=CN=CC=N2)C=C1    8.726
*21550 CC1=CC(=C(C=C1)C(C)=NNS(=O)(=O)C2=CC=C(N)C=C2)C   10.283
*21554 CC1=CC(=C(N=NC2=C(C)C=C(N)C(=C2)C)C(=C1)C)S(O)(=O)=O   14.444
*21577 CN(C)C1=CC=C(C=C1)C=CC2=[N+](C)C=CC=C2   13.260
*21589 CC(=O)CC(C)=NC1=CC=CC(=C1)N=C(C)CC(C)=O    9.411
*21598 CCOC(=O)CCCNC1=C2N=CC=CC2=CC(=C1)OC   12.754
*21613 C1CCN(C1)C2=C(N=C3C=CC=CC3=N2)N4CCCC4   10.362
*21654 CCN(CC)C[CH](O)C1=CC2=C(C=CC=C2)C=C1   10.609
*21671 CCN(CC)CCOC(=O)CC1=CSC2=C1C=CC=C2    9.060
*21704 CCC[N+]1=CC=C(CCS(=O)(=O)C2=CC=C(N)C=C2)C=C1   17.635
*21730 C[CH]1CCC(C)(C)C2=C1C=C(C(C)=O)C(=C2)C    4.620
*21754 CCCCOC(=O)C1=CC(=CC=C1)C(=O)OCCCC    5.914
*21770 CO[CH]1O[CH](COS(=O)(=O)C2=CC=C(C)C=C2)[CH]3OC(C)(C)O[CH]13   14.197
*21771 C=CCNC1(CCCCC1)CC2=CC=CC=C2    5.371
*21775 CC(C)(CCC(=O)N1CCSCC1)C2=CC=CC=C2   10.074
*21815 CCCCNCCNC1=C2N=CC=CC2=CC(=C1)OC   13.654
*21829 CCC1=CC2=C(C=C1)[CH](C)CC[C]2(C)CC    1.635
*21840 CC[CH](N1CCOCC1)C(=O)NC2=C(C)C=CC=C2C   12.047
*21853 CCCNCC(=O)NC1=CC=C(C=C1)C(=O)OCC(C)C   12.131
*21929 CCS[CH]1O[CH](COC(C)=O)[CH](OC(C)=O)[CH](OC(C)=O)[CH]1OC(C)=O   16.170
*21936 CCCCN(CCCC)C(=O)C1=CC(=CC=C1)C    7.190
*21956 CC[N+]1(CCCCC1)CC(=O)C2=CC=C(OC)C=C2   16.246
*21965 C[CH]1CCCCN1CCCNC(=O)C2=CC=C(N)C=C2   14.686
*22013 C[CH](CCC1=C(C)CC[C]1(C)C(C)=C)OC(C)=O    2.480
*22020 OC(=O)CCCCC1CCC(CC1)C(=O)CCCC(O)=O   13.564
*22030 CCCCC[CH](C)NC[CH](O)CC1=CC=CC=C1    9.324
*22049 CCN(CC)CC1=C(O)C=C(CN(CC)CC)C(=C1)O   16.265
*22115 CCCCCCCCC[C]1(OC1(C)C)C(=O)OCC    4.217
*22146 CCCCCCC=NNC(=N)C(=N)NN=CCCCCCC    9.699
*22165 CCCCCCCCCCCC(=O)OC(C)(C)C    2.157
*22203 CC(C)CCOC(OCCC(C)C)OCCC(C)C    4.752
*22220 C[N+]1(CCCC1)CCC[CH](O)CC[N+]2(C)CCCC2   22.067
*22228 N#CC1=C2C=CC=CC2=C(C#N)C3=C1C=CC=C3    8.320
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*27624 NC1=C2C(=C(C=CC2=C(C=C1N=NC3=CC=C(C=C3)S(O)(=O)=O)S(O)(=O)=O)N=NC4=CC=C(C=C4)[N+]([O-])=O)O   30.907
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*27756 COC1=CC=CC(=C1)C(C2=CC=CC(=C2)OC)C3=C(C=CC=C3)C(O)=O   11.564
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*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
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*28023 C[CH]1CCCCN(CCN(CC2=CC=CC=C2)C3=CC=CC=C3)C1    8.082
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*28152 CCN(CC)C1=CC(=C(CCC2=C(N)C=C(C=C2)N(CC)CC)C=C1)N   13.204
*28192 CCCCN(CC(C)C)C[CH](O)CNC1=C2N=C(C)C=CC2=CC(=C1)OC   17.215
*28204 CCCCOC1=CC=C(OCCCCCN2CCN(CC2)C(=O)OCC)C=C1   12.863
*28217 CCCCCCCC[C](CCN(CC)CC)(C(O)=O)C1=CC=CC=C1    9.182
*28229 CCCCCCCCCCCCCCCC1=C(C=CC(=C1)OC)S(O)(=O)=O    8.061
*28276 CCCCCCCCCCCCCCCCCC1=NC(CO)(CO)CO1    8.137
*28284 CCCCCCCCCCCC(=O)OC[CH](C)CCC[CH](C)CC    1.418
*28343 OC1=C(C=NNC(=S)NN=CC2=C3C=CC=CC3=CC=C2O)C4=C(C=CC=C4)C=C1   18.119
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*28504 CC(=O)OCC(=O)[C]1(O)CC[CH]2[CH]3C=CC4=CC(=O)CC[C]4(C)[C]35O[CH]5C[C]12C   12.824
*28531 OC1=C(CN2CCOCC2)C=C(OCC3=CC=CC=C3)C=C1CN4CCOCC4   19.425
*28540 CC(=O)OCC(=O)[C]12O[CH]1C[CH]3[CH]4CCC5=CC(=O)CC[C]5(C)[CH]4CC[C]23C   11.021
*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
*28558 CCN(CC)CCOC(=O)C(OC(C)C)(C1=CC=CC=C1)C2=CC=CC=C2    9.712
*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
*28573 OC(=O)C1=C2CN(COC2=C(O)C3=C1CN(CO3)C4CCCCC4)C5CCCCC5   17.764
*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
*28620 CC(=NOCC(O)=O)[CH]1CC[CH]2[CH]3CCC4=CC(=O)CC[C]4(C)[CH]3CC[C]12C    9.764
*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
*28665 CC(=O)O[CH]1CC[C]2(C)[CH](CC[CH]3[CH]2CC[C]4(C)[CH]3CCC45SCCS5)C1    7.264
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*28682 C[N+](C)(C)CCOC(OCC[N+](C)(C)C)(C1=CC=CC=C1)C2=CC=CC=C2   23.129
*28689 CCCCCCCCCCCCC1=CC=C(OC(=O)OCCCC)C=C1    1.873
*28711 CCCCCCCCC(=O)OCCNC(=O)[CH](C)OC(=O)CCCCCCCC   10.038
*28722 CCCCCCCCCCCC(=O)O[CH](C)C(=O)N(CCCC)CCCC    6.951
*28749 O1C(=NC(=C1C2=CC=CC=C2)C3=CC=CC=C3)C4=C5C=CC=CC5=CC=N4   12.390
*28795 CC1=C(C=CC(=C1)NC(=O)C2=CC=C(N)C=C2)N=NC3=CC4=C(C=C(C=C4C=C3)S(O)(=O)=O)S(O)(=O)=O   28.558
*28822 N=C(NC1=C2C=CC=CC2=CC=C1)SCCSC(=N)NC3=C4C=CC=CC4=CC=C3   18.511
*28825 COC1=CC(=CC=C1O)C(CC(=O)C2=CC=CC=C2)CC(=O)C3=CC=CC=C3   14.943
*28863 CN(C)C1=CC=C(C=C1)C(C2=CC=C(C=C2)N(C)C)C3=CC4=C(OCO4)C=C3   10.943
*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
*28909 CN(C)C1=CC=C(C=C1)C([CH](O)C2=CC=CC=C2)C3=CC=C(C=C3)N(C)C   12.323
*28924 C[CH]1C[CH](C)C(=O)[CH](C1)[CH](CC2CC(=O)NC(=O)C2)OC(=O)CC(=O)C3=CC=CC=C3   16.516
*28945 C[CH](CN(C)C)OC1=C2C(=O)C3=CC=CC=C3C(=O)C2=C(O[CH](C)CN(C)C)C=C1   17.071
*28969 CCCCCCCCCCOC(=O)NC1C2=C(OC3=C1C=CC=C3)C=CC=C2    9.143
*29013 CCN(CC)C[CH](OC)[CH](COC)OC(=O)C(C1=CC=CC=C1)C2=CC=CC=C2   12.495
*29030 CC(C)CNCC(=O)NC1=CC=C(C=C1)C2=CC=C(NC(=O)CNCC(C)C)C=C2   16.020
*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
*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
*29080 CCCCCCCN(CCCCCCC)C(=N)C1=C2C=CC=CC2=NC=C1    9.470
*29099 C[CH](CCC(O)=O)[CH]1CCC2=C3CC[CH]4C[CH](O)CC[C]4(C)[CH]3C[CH](O)[C]12C   10.762
*29102 CCCCCCCCCCCCCCCCN=CC1=CC2=C(OCO2)C=C1    4.496
*29108 C[CH]1[CH]2CC[CH]3[CH]4CC=C5C[CH](CC[C]5(C)[CH]4CC[C]23CN1C)N(C)C    7.166
*29114 CCCCCCCCCCCCCCCCNC(=S)NN=CC1=C(C=CC=C1)[N+]([O-])=O    7.684
*29133 CCCCCCCCCCCCCCCCCCC1=CC=CC=C1    0.134
*29151 CCCCN(CCCC)C[CH](CN(CC)CC)N(CC)C(=O)NC1=CC=CC=C1   14.268
*29154 CCCCCCCCCCOC(=O)C=CC(=O)OCCCCCCCCCC    4.644
*29174 CCCCCCCCOC(=O)CCOCCOCCC(=O)OCCCCCCCC    8.151
*29189 CCCCCCCCCCCCSCCCCCCCCCCCC    0.398
*29281 C(CN1CCN(CC1)C2=CC=CC=C2)CN3C4=C(C=CC=C4)C5=CC=CC=C35   11.351
*29287 COC1=CC=C(C=C1)N(CCN(C)C)C(=O)C(C2=CC=CC=C2)C3=CC=CC=C3   13.493
*29329 CCN(CC)CCN[CH](CC1=CC=CC=C1)C2=C(OC)C=CC3=C2C=CC=C3   12.016
*29350 CCCCN(CCCC)CCC[CH](O)C1=C2C=CC=CC2=NC3=C1C=CC=C3   13.764
*29356 CC(=O)O[CH]1CC[C]2(C)[CH]3CC[C]4(C)[CH](CC=C4C(=C)OC(C)=O)[CH]3CC=C2C1    4.625
*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
*29414 CCOC(=O)N1CCN(CCCCCCOC2=CC=C(C=C2)C3CCCCC3)CC1   11.580
*29422 CCCCCCCCCCCCCCCCCCSC1=NC2=CC=CC=C2N1    5.879
*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
*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
*29439 CCCCCCCCCCCCCCCCCCOS(=O)(=O)C1=CC=C(C)C=C1    3.959
*29482 O=C1O[C](OC2=C(C=CC=C2)C3=CC=CC=C3)(C4=CC=CC=C4)C5=C1C=CC=C5    9.467
*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
*29499 C1=CC=C(C=C1)C=NC2=CC=C(C=C2)C3=CC=C(C=C3)N=CC4=CC=CC=C4    6.860
*29526 CN1C2=C(C=CC=C2)[CH](C3=CC=CC=C3)C4=C1C=C(NC5=CC=CC=C5)C=C4    9.863
*29530 N(N=C(C1=CC=CC=C1)C(=NNC2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4   11.516
*29537 C(COC1=C(C=CC=C1)C2=CC=CC=C2)OC3=CC=CC=C3C4=CC=CC=C4    7.967
*29545 C(C1=CC=CC=C1)C2=CC=C(SSC3=CC=C(CC4=CC=CC=C4)C=C3)C=C2    6.415
*29547 C[C](O)([CH](C1=CC=CC=C1)C2=CC=CC=N2)C3=CC=C(C=C3)C4=CC=CC=C4   12.600
*29550 CCN(CC)C1=CC2=C(C=C1)N=C3C(=CC(=O)C4=C3C=CC=C4)N2C5=CC=CC=C5   11.418
*29557 CC1=CC(=CC=C1NS(=O)(=O)C2=CC=CC=C2)C3=CC=C(NS(=O)(=O)C4=CC=CC=C4)C(=C3)C   12.026
*29573 CN(C)CCOC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=C4C=CC=CC4=CC=N3   13.418
*29582 CC1=CC=C(C=C1)N=C(C(C2=CC=CC=C2)C3=CC=CC=C3)N4CCCCC4    8.225
*29613 CC(C)C1=CC=C(C=C1)C=C2CCCC(=CC3=CC=C(C=C3)C(C)C)C2=O    6.824
*29627 CC(C)C1=CC=C(C=C1)C(C2=CC=C(C=C2)N(C)C)C3=CC=C(C=C3)N(C)C    7.721
*29636 C[C]12CCC(=O)C=C1CC[CH]3[CH]4CC[C](O)(C(=O)COC(=O)C5=CC=CO5)[C]4(C)C[CH](O)[CH]23   11.910
*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
*29685 CCN(CC)CC1=CC(=CC(=C1O)C2=CC=CC=C2)[CH]3C[CH](C)CC(C)(C)C3    9.710
*29692 C[CH]1CC(C)(C)[N+](C)(CCC(C(=O)N(C)C)(C2=CC=CC=C2)C3=CC=CC=C3)C1   20.395
*29694 CCN(CC)C1=C(C)C(=CC=C1)NC(=O)OCCOC(=O)NC2=C(C)C(=CC=C2)N(CC)CC   13.886
*29701 CC(C)[CH](NC(=O)OCC1=CC=CC=C1)C(=O)N(C2CCCCC2)C(=O)NC3CCCCC3   14.117
*29704 CN(C)CCCNCC(=O)NC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(NC(=O)CNCCCN(C)C)C=C2   26.095
*29712 CCCCCCN(CCCCCC)CCC[CH](O)C1=C2C=CC=CC2=CC=C1    9.378
*29727 CCN(CC)CCOC1=CC=C(CN[CH](C)CCC2=C(C)CCCC2(C)C)C=C1    8.827
*29733 CCCCCCCCCCCCCCCCCCNC(=S)NN=CC1=CC(=CC=C1)[N+]([O-])=O    7.438
*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
*29742 CCCCCCCCCCCCCCCCCCOC(=N)C1=CC(=C(O)C=C1)OC    8.799
*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
*29757 CCCCCC(=O)OCCC[CH](CC[CH](C)OC(=O)CCCCC)OC(=O)CCCCC    6.666
*29764 CCCCCCCCCCC(=O)N([CH](C)CC(C)C)[CH]1C[CH](C)CC(C)(C)C1    4.917
*29769 CCCCCCCCCCCCCCCCCCCCCCCCCCO    2.293
*29781 OC1=CC(=CC2=C1C=CC(=C2)N=NC3=C(C=C4C=C(NC(=O)C5=CC=CC=C5)C=CC4=C3O)S(O)(=O)=O)S(O)(=O)=O   34.124
*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
*29794 O=C1C2=CC=CC=C2C3=C1C=C(C=C3)N(CC4=CC=CC=C4)CC5=CC=CC=C5   10.154
*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
*29836 C1CCN(CC1)CCOC2=CC=C(CC3C4=C(C=CC=C4)C5=CC=CC=C35)C=C2    9.143
*29840 O=S(=O)(CC1=CC=CC=C1)C(CCCC2=CC=CC=C2)(CCC#N)S(=O)(=O)CC3=CC=CC=C3   15.322
*29843 O=C([CH]([CH](N1CCOCC1)C2=CC=CC=C2)N3CCOCC3)C4=CC5=C(C=CC=C5)C=C4   16.627
*29850 C[CH]1O[CH](OC[CH]2O[CH](OC3=C(OC4=C(C(=CC(=C4)O)O)C3=O)C5=CC=C(O)C(=C5)O)[CH](O)[CH](O)[CH]2O)[CH](O)[CH](O)[CH]1O   37.799
*29867 CC(=O)O[CH]1CC[C]2(C)C3=CC[C]4(C)[CH](CC[CH]4[C]35C=C[C]2(C1)[CH]6[CH]5C(=O)OC6=O)C(C)=O   10.079
*29885 CN(C=C1C[CH]2[CH]3CC=C4C[CH](O)CC[C]4(C)[CH]3CC[C]2(C)C1=O)C5=CC=CC=C5   11.000
*29891 CCCCOC1=CC=C(C=C1)C(=O)[CH]([CH](N2CCOCC2)C3=CC=CC=C3)N4CCOCC4   16.475
*29901 CC[N+](C)(C)C1=CC=C(C=C1)C(C2=CC=C(C=C2)N(C)C)=C3C=CC(C=C3)=[N+](C)C   19.703
*29903 CC(C)(C1=CC=CC=C1)C2=CC(=C(O)C(=C2)CN3CCCCC3)CN4CCCCC4   13.551
*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
*29948 C[CH]1CC[C]2(OC1)O[CH]3C[CH]4[CH]5CC[CH]6C[CH](O)CC[C]6(C)[CH]5CC[C]4(C)[CH]3[CH]2C    8.812
*29956 OC1=C(CNC2CCCCC2)C=C(CNC3CCCCC3)C=C1CNC4CCCCC4   16.282
*29957 CCCCCCCCCCCCCCCCCCNC(=S)NN=CC1=CC2=C(OCO2)C=C1    7.971
*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
*29978 CC(C)CCC[CH](C)[CH]1CC[CH]2[CH]3CC[CH]4C[CH](O)CC[C]4(C)[CH]3CC[C]12C    3.793
*29998 O=C1C2=CC=CC=C2C3=NC4=CC=C5C(=O)C6=C(C=CC=C6)C7=C5C4=C8C(=N7)C=CC1=C38   18.648
*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
*30017 OS(=O)(=O)C1=C2C=CC(=C1)N=NC3=CC(=C(C=C3)C=CC4=C(C=C(C=C4)N=NC5=CC(=C(C=C5)C=C2)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O   35.339
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*30082 CCN(CC)C1=CC2=C(C=C1)C3(OC(=O)C4=C3C=CC=C4)C5=C(O2)C=C(C=C5)N(CC)CC   11.190
*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
*30148 CCCCCN(CCCCC)C[CH](OC(C)=O)C1=C2C=CC=CC2=C3CCCCC3=C1    8.080
*30170 OCC[N+]1(CCC(CC1)C2CC[N+](CCO)(CC2)CC3=CC=CC=C3)CC4=CC=CC=C4   25.690
*30208 CCCCCCCCCCCCCCCCNC(=S)NN=CC1=CC=C(C=C1)N(CC)CC    6.833
*30209 CCCCCCCCCCCCCCCCCCNC(=S)NN=CC1=CC=C(C=C1)N(C)C    6.833
*30221 CCCCCCCCCCCC(=O)OCCNC(=O)COC(=O)CCCCCCCCCCC    9.423
*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
*30260 C[CH](CC1=C2C=CC=CC2=CC=C1)C(C)(C(=O)OC3=CC=CC=C3)C(=O)OC4=CC=CC=C4    8.854
*30297 C[C]12C[CH](O)[CH]3[CH](CCC4=CC(=O)C=C[C]34C)[CH]1CC[C]2(O)C(=O)COC(=O)CCC5CCCC5   11.151
*30300 C[CH]1CN(CCC(C(=O)N(C(C)C)C(C)C)(C2=CC=CC=C2)C3=CC=CC=C3)C(C)(C)C1   11.762
*30311 CCCCC[CH](C[N+](C)(C)CC=CC1=CC=CC=C1)[CH](O)C2=CC=C(CCCC)C=C2   18.067
*30313 CCN(CC)CCCOC1=CC=C(C=C1)C(C)(C)C2=CC=C(OCCCN(CC)CC)C=C2   11.154
*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
*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
*30376 CC1(C)O[CH]2O[CH]([CH](COC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)[CH](OC(=O)C5=CC=CC=C5)[CH]2O1   17.203
*30404 CC(=O)OC=C(C)[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    8.317
*30413 CCN(CC)CCN(C)C[CH](N(C)C(=O)C(C1=CC=CC=C1)C2=CC=CC=C2)C3=CC=CC=C3   16.664
*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
*30422 CC(=O)OC[CH]1O[CH](O[CH]([CH](COC(C)=O)OC(C)=O)[CH](OC(C)=O)[CH](COC(C)=O)OC(C)=O)[CH](OC(C)=O)[CH](OC(C)=O)[CH]1OC(C)=O   28.054
*30426 CC(C)CCN(CCC(C)C)C[CH](O)C1=CC(=C2C=CC3=C(C=CC(=C3)C(C)C)C2=C1)C   10.550
*30431 C[CH](CC[CH](O)C1=CC=CC=C1)[CH]2CC[CH]3[CH]4CC=C5C[CH](O)CC[C]5(C)[CH]4CC[C]23C    6.676
*30461 COC1=CC2=C(C=C1)N(CCCCCCCCCCN(CCC(C)C)CCC(C)C)CCC2    6.697
*30474 CC(C)CCC[CH](C)CCC[CH](C)CCCC[CH](C)CCC[CH](C)CCCC(C)C   -0.185
*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
*30514 CCCCN(CCCC)CCCCCCCC[CH](O)C1=C2C=CC=CC2=C3C=CC=CC3=C1   10.265
*30557 O=C(CCCCC(=O)NC1C2=C(OC3=C1C=CC=C3)C=CC=C2)NC4C5=C(OC6=C4C=CC=C6)C=CC=C5   16.896
*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
*30595 CC(C)(C)CC1=CC(C=C(CC(C)(C)C)C1=O)=C2C=C(CC(C)(C)C)C(=O)C(=C2)CC(C)(C)C    6.161
*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
*30616 CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC   -0.431
*30648 CCCCCCN(CCCCCC)[CH](C)[CH](O)C1=CC(=C2C=CC3=C(C=CC(=C3)C(C)C)C2=C1)C   10.180
*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
*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
*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
*30709 CC(=O)C1=C(C)C2=CC3=NC(=CC4=C(CCC(O)=O)C(=C(N4)C=C5N=C(C=C1N2)C(=C5C(C)=O)C)C)C(=C3C)CCC(O)=O   27.048
*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
*30780 CCCCCCCCCCN(CCCCCCCCCC)C[CH](O)C1=CC2=C(C=C1)N=C3CCCCC3=C2   11.547
*30826 CCCCCCCCC=CCCCCCCCC(=O)OOC(=O)CCCCCCCC=CCCCCCCCC    0.218
*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
*30895 CC(C)=CCC1=C2OC(C)(C)C=CC2=C3OC=C(C(=O)C3=C1O)C4=CC=C(OS(=O)(=O)C5=CC=C(C)C=C5)C(=C4)OS(=O)(=O)C6=CC=C(C)C=C6   17.759
*30899 COC1=CC2=C(C=C1OC)[CH](NCC2)[CH](CCCCC[CH](CCC(C)C)[CH]3NCCC4=C3C=C(OC)C(=C4)OC)CCC(C)C   13.936
*30903 CCCCCC[CH](O)CC=CCCCCCCCC(=O)OCCCOC(=O)CCCCCCCC=CC[CH](O)CCCCCC    8.181
*30926 CC(C)C1=C2C=C(C)C(=C(O)C2=C(C=NCCCN(C)C)C(=C1O)O)C3=C(O)C4=C(C=C3C)C(=C(O)C(=C4C=NCCCN(C)C)O)C(C)C   37.031
*30927 CC(=O)OC[CH]1O[CH](O[CH]2[CH](COC(C)=O)O[CH](OC(C)=O)[CH](OC(C)=O)[CH]2OC(C)=O)[CH](OC(C)=O)[CH](OC(C)=O)[CH]1O[CH]3O[CH](COC(C)=O)[CH](OC(C)=O)[CH](OC(C)=O)[CH]3OC(C)=O   39.438
*30958 C1=CC=C(C=C1)[CH]([CH](C2=CC=CC=C2)C3=C4C=CC5=CC=CC=C5C4=CC=C3)C6=C7C=CC8=C(C=CC=C8)C7=CC=C6    9.424
*30994 N1C2=C(C3=CC=CC=C3)C4=NC(=C(C5=CC=C(N5)C(=C6C=CC(=N6)C(=C1C=C2)C7=CC=CC=C7)C8=CC=CC=C8)C9=CC=CC=C9)C=C4   16.551
*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
