COC1=CC=C(C2=NNC=C2C=O)C=C1OC	3000256
NC1=NC2=C(CCCC2)S1	3000350
CC1CCC2=C(C1)SC(N)=N2	3000351
CCOC(=O)C1=C(C)C(C#N)=C(N)S1	3000456
NC1=CC=C(C(=O)N2CCOCC2)C=C1	3000462
CCNS(=O)(=O)C1=CC=C(N)C=C1	3000465
CCOC(=O)C1=C(N)SC2=C1CCC(C)C2	3000473
CC(C)(C)C1CCC2=C(C1)SC(N)=C2C(N)=O	3000474
NC(=O)C1=C(N)SC2=C1CCC2	3000477
N#CC1=C(N)SC2=C1CCC2	3000478
COC(=O)C1=C(N)SC2=C1CCC(C1=CC=CC=C1)C2	3000482
CCOC(=O)C1=C(N)SC(C(N)=O)=C1C	3000504
CC1=C(C2=CC=CC=C2)N=C2C=CC=CC2=C1C(=O)O	3000590
CC1=C(C2=CC=C(Cl)C=C2)N=C2C=CC=CC2=C1C(=O)O	3000593
CC1=C(C2=CC(Cl)=CC=C2)N=C2C=CC=CC2=C1C(=O)O	3000594
CC1=C(C)C(C#N)=C(N)S1	3000678
NC(=O)C1=C(N)SC2=C1CCCCCC2	3000706
COC(=O)C1=C(C)C(C#N)=C(N)S1	3000743
O=C(O)CN1C=NC=N1	2402315
NNC(=O)C1=C(Cl)C2=C(C=C([N+](=O)[O-])C=C2)S1	3000012
CCC1=CC2=C(C=C1)C(Cl)=C(C(=O)NN)S2	3000024
CC(C)OC1=CC(C(=O)NN)=CC=C1	3000080
CC1=C(C(=O)OC(C)C)SC(N)=C1C#N	3000744
CC1=C(C(N)=O)SC(N)=C1C#N	3000745
CC1=C(C(=O)N(C)C)SC(N)=C1C#N	3000746
COC(=O)C1=C(N)SC(C2=CC=CC=C2)=C1	3000752
COC(=O)C1=C(N)SC=C1C1=CC(C)=CC=C1C	3000770
CCOC(=O)C1=C(N)SC(C)=C1C1=CC=C(C)C(C)=C1	3000900
CCOC(=O)C1=C(N)SC(C)=C1C1=CC(C)=CC=C1C	3000902
CC(OC1=CC=CC=C1[N+](=O)[O-])C(=O)O	3000973
CC(OC1=CC=CC=C1[N+](=O)[O-])C(=O)NN	3001433
NNC(=O)C1=C(Cl)C2=C(C=C(Cl)C=C2)S1	3001505
CC1=CC(C(=O)NN)=C2C=CC=CC2=N1	3001506
CC1=C(C)N(CC2=CC=CC=C2)C2=C1C=C(C(=O)NN)C=C2	3001510
CCC1=CC=C(C2=CSC(N)=C2C(=O)OC)C=C1	3000775
COC(=O)C1=C(N)SC=C1C1=CC=C(C(C)C)C=C1	3000779
COC(=O)C1=C(N)SC=C1C1=CC=C(CC(C)C)C=C1	3000781
COC(=O)C1=C(N)SC=C1C1=CC=C(C(C)(C)C)C=C1	3000782
CCOC(=O)C1=C(N)SC=C1C1=CC=C(C(C)C)C=C1	3000805
CCC1=CC=C(C2=C(C)SC(N)=C2C(=O)OC)C=C1	3000873
COC(=O)C1=C(N)SC(C)=C1C1=CC=C(C(C)C)C=C1	3000875
CCCC1=CC=C(C(C)N)C=C1	3006607
NNC(=O)C1=CC=C(N2C=CC=C2)C=C1	3006843
CC1=C(C2=CC=C(F)C=C2)N=C(N)S1	3007459
CC1=C(C2=CC(Cl)=CC=C2)N=C(N)S1	3007460
CCC1=CC=C(C2=C(C)SC(N)=N2)C=C1	3007461
CC1=CC(C2=C(C)SC(N)=N2)=C(C)C=C1	3007462
CC1=C(C2=CC=C(C(C)(C)C)C=C2)N=C(N)S1	3007464
CC(C)C1=CC(C(N)=O)=C(N)S1	3007467
NC(=O)C1=C(N)SC(CC2=CC=CC=C2)=C1	3007468
CC1=C(C2=CC=C(Cl)C=C2)N=C(N)S1	3007469
CC1=CC=C(C2=C(C)SC(N)=N2)C=C1	3007470
CC1=C(C)C=C(C2=C(C)SC(N)=N2)C=C1	3007471
CC1=CC(C(=O)NN)=NO1	3007474
CC1=CC(C(=O)NN)=CS1	3007489
CC1=C(C)C(C(=O)NN)=CS1	3007491
CCC1=C(C)SC=C1C(=O)NN	3007492
CCC1=C(C)SC=C1C(=O)O	3007493
NNC(=O)C1=CSC2=C1CCCC2	3007497
NNC(=O)C1=CSC2=C1C=CC=C2	3007498
CCC1=CC(C(=O)NN)=CS1	3007502
CCC1=CC(C(=O)O)=CS1	3007503
CCCC1=CC(C(=O)O)=CS1	3007506
CC(SC1=NC2=C(C=CC=C2)S1)C(=O)NN	3003418
COC1=CC=C(S(=O)(=O)N2CCNCC2)C=C1	3003960
CS(=O)(=O)N1CCNCC1	3003961
O=S(=O)(C1=CC=CC=C1)N1CCNCC1	3003962
O=S(=O)(C1=CC=C(Cl)C=C1)N1CCNCC1	3003963
CC1=CC=C(S(=O)(=O)N2CCNCC2)C=C1	3003964
COC1=CC(C=O)=C(Br)C=C1O	3004167
CCOC1=CC(C=O)=C(Br)C=C1O	3004202
CCC(C)C1=CC=C(C2=C(C)SC(N)=C2C#N)C=C1	3006157
COC1=CC=C(C2=CSC(N)=C2C#N)C=C1OC	3006158
CC1=C(C2=CC=C(F)C=C2)C(C#N)=C(N)S1	3006166
CC(C)C1=CC=C(C(C)N)C=C1	3006173
CC1=C(C)C(OC(C)C(=O)O)=CC=C1	3006189
COC1=CC=CC=C1OC(C)C(=O)O	3006194
CCCC1=CC(C(=O)NN)=CS1	3007507
CC(C)C1=CC(C(=O)NN)=CS1	3007508
CC(C)C1=CC(C(=O)O)=CS1	3007509
CC1CCC2=C(C1)SC=C2C(=O)O	3007515
CC1CCC2=C(C1)SC=C2C(=O)NN	3007516
CCC(C)(C)C1=CC2=C(C=C1)C(C(=O)O)=CS2	3007530
CC1=C(C2=CC=CC=C2)C(C(=O)O)=CS1	3007539
CC1=C(C2=CC=CC=C2)C(C(=O)NN)=CS1	3007540
CC1=CC=C(C2=C(C)SC=C2C(=O)NN)C=C1	3007541
CC1=CC=C(C2=C(C)SC=C2C(=O)O)C=C1	3007542
CCOC(=O)C1=C(N)SC(C(C)C2=CC=CC=C2)=C1	3007551
NNC(=O)C1=CC(C2CC2)=NC2=C1C=CC=C2	3010179
CC1=CC2=C(C(=O)O)C=C(C3=CC=C(C)S3)N=C2C=C1	3007681
CC1=CC2=C(C(=O)O)C=C(C3=CC=CC=C3C)N=C2C=C1	3007686
CC1=CC=C(C2=CC(C(=O)O)=C3C=CC=C(C)C3=N2)O1	3007732
CC1=CC=CC=C1C1=CC(C(=O)O)=C2C=CC=C(C)C2=N1	3007741
CC1=CC=CC=C1C1=CC(C(=O)O)=C2C=C(Cl)C=CC2=N1	3007961
CN1C(S)=NN=C1C1CC1	3008154
CCN1C(S)=NN=C1C1CCCCC1	3008194
CCN1C(S)=NN=C1C1CC1	3008195
CC(OC1=CC=C(F)C=C1F)C(=O)O	3013832
CC(OC1=CC2=C(C=C1)OCO2)C(=O)O	3013837
CC1=CC(OC(C)C(=O)O)=CC=C1	3013839
CC1=CC(C)=CC(OC(C)C(=O)O)=C1	3013842
CC(OC1=CC=C(Br)C=C1)C(=O)O	3013843
CC1=CC(OC(C)C(=O)O)=CC(C)=C1Cl	3013863
CC(C)(OC1=CC=C(F)C=C1F)C(=O)O	3013914
CC1=CC2=C(C(=O)O)C=C(C3=CC=CC=N3)N=C2C=C1	3013512
CC1=CC=C(C2=NC3=C(C=CC=C3Cl)C(C(=O)O)=C2)O1	3013738
O=C(O)COC1=CC=C(Br)C=C1Cl	3013794
O=C(O)COC1=CC=CC(C(F)(F)F)=C1	3013795
O=C(O)COC1=CC2=C(C=C1)OCO2	3013803
O=C(O)COC1=CC=C(Cl)C=C1[N+](=O)[O-]	3013818
O=C(O)COC1=CC=C(F)C=C1Cl	3013821
CC1=CC(OCC(=O)O)=CC=C1Cl	3013826
CC(OC1=CC=C(Br)C=C1Cl)C(=O)O	3013830
CC1=CC=C(OC(C)(C)C(=O)O)C=C1	3013922
CC(C)(OC1=CC=C(Br)C=C1)C(=O)O	3013927
CC(C)(C)C1=CC=C(OC(C)(C)C(=O)O)C=C1	3013932
CC(C)(OC1=C2C=CC=CC2=CC=C1)C(=O)O	3013933
CC(C)(OC1=CC=C([N+](=O)[O-])C=C1)C(=O)O	3013937
COC1=CC=CC=C1OC(C)(C)C(=O)O	3013939
COC1=CC=C(OC(C)(C)C(=O)O)C=C1	3013941
CC(C)(OC1=CC=C(F)C=C1)C(=O)O	3013944
CC(C)C1=CC=CC=C1OC(C)(C)C(=O)O	3013947
CC1=CC=C(C(C)C)C(OC(C)(C)C(=O)O)=C1	3013948
CC1=CC(OC(C)(C)C(=O)O)=CC=C1Cl	3013949
O=C(O)C1=CC(Br)=CS1	3013954
CCC1=C(Br)C=C(C(=O)O)S1	3013956
CCCC1=C(Br)C=C(C(=O)O)S1	3013957
CC1=C(C2=CC=CC=C2)SC(C(=O)O)=C1	3013958
O=C(O)C1=CC2=C(C=CC(Cl)=C2)OC1=O	3013962
O=C(O)C1=C(Cl)C2=C(C=CC=C2F)S1	3013964
COC(=O)C1=CC=C(COC2=CC=C(C=O)C=C2)C=C1	3014295
CCCC1=CC=C(C2=C(C)SC(N)=N2)C=C1	3014667
CC1=C(C2=CC=C(Cl)C=C2Cl)N=C(N)S1	3014668
CC1=C(C2=CC=C(C(C)C)C=C2)N=C(N)S1	3014669
NC1=NC(C2=CC(Cl)=CC=C2Cl)=CS1	3014680
CC(N)C1CC2CCC1C2	3014688
CCC1=C(C2=CC=CC=C2)C(C(=O)OC)=C(N)S1	3014691
NC(=O)C1=C(N)SC=C1	3014696
NNC(=O)CCC1CCCCC1	3014985
O=CC1=CN(CC2=CC(Cl)=CC=C2)C2=C1C=CC=C2	3014326
COC(=O)C1=C(N)SC=C1C1=CC=CS1	3014338
NC1=NN=C(C2=CC=CS2)S1	3014341
CC1=C(C2=CC=CC=C2)C(C(N)=O)=C(N)S1	3014344
CC1=C(C2=CC=C(C(C)(C)C)C=C2)C(C(N)=O)=C(N)S1	3014345
CC1=C(C2=CC=CC=C2)C(C#N)=C(N)S1	3014346
NC1=CC=C(C(=O)N2CCCCC2)C=C1	3014353
CC1=CC=C(C2=CSC(N)=C2C(N)=O)C=C1C	3014472
CC1=CC=C(C2=C(C)SC(N)=C2C(N)=O)C=C1	3014476
COC(=O)C1=C(N)SC2=C1C1=CC=C(OC)C=C1CC2	3014632
CCC1=C(C2=CC=CC=C2)N=C(N)S1	3014641
NC1=CC=C(C(=O)N2CCCC2)C=C1	3014643
NC1=NC(C2=CC=CC=C2)=C(C2=CC=CC=C2)S1	3014644
COC(=O)C1=C(N)SC=C1C1=CC=NC=C1	3014646
CC1=C(C2=CC=C(C(C)C)C=C2)C(C#N)=C(N)S1	3014655
COC1=CC=C(C2=C(C)SC(N)=C2C#N)C=C1	3014656
CC1=CC=C(C2=C(C)SC(N)=C2C#N)C=C1	3014657
CC1=C(C2=CC=C(CC(C)C)C=C2)C(C#N)=C(N)S1	3014658
CC1=CC=C(C2=C(C)SC(N)=C2C#N)C=C1C	3014659
N#CC1=C(N)SC=C1C1=CC=C(Cl)C(Cl)=C1	3014660
N#CC1=C(N)SC=C1C1=CC=C(C2=CC=CC=C2)C=C1	3014661
CC(C)CC1=CC=C(C2=CSC(N)=C2C#N)C=C1	3014663
NC1=C2C(=O)OC3=CC=CC=C3C2=CS1	3014664
CC1=CC=C(C2=C(C)SC(N)=N2)C(C)=C1	3014665
NNC(=O)C1=CC=C(C(N)=O)C=C1	3015021
COC1=CC(OCC(=O)NN)=CC=C1	3015227
NNC(=O)C1=CC=CC(Cl)=C1Cl	3015281
NNC(=O)C1=CC=C(Cl)C=C1O	3015284
CC(C)C1=CC(C(C)C)=C(O)C(C(=O)NN)=C1	3015285
CN1C=C(C(=O)NN)C2=C1C=CC=C2	3015286
ClCC1=CSC(C2=C(Cl)C=CC=C2)=N1	3015672
CC1=C(C2=NC(CCl)=CS2)C=CC=C1	3015673
CC1=CC=CC(C2=NC(CCl)=CS2)=C1	3015674
CC1=CC=C(C2=NC(CCl)=CS2)C=C1	3015675
O=C1C=C(CCl)N=C2SC=CN12	3015676
CC1=NN=C(S)N1C	3015684
CCN1C(C)=NN=C1S	3015685
CCCN1C(C)=NN=C1S	3015686
CCC1=NN=C(S)N1C	3015689
CCC1=NN=C(S)N1CC	3015690
CC(C)C1=NN=C(S)N1C	3015695
CCN1C(S)=NN=C1C(C)C	3015696
C=CCN1C(S)=NN=C1C(C)C	3015697
CCCN1C(S)=NN=C1C(C)C	3015698
CC(C)C1=NN=C(S)N1C(C)C	3015699
CCC1=C(Br)C=C(C(=O)NN)S1	3015345
CC1=C(C(=O)NN)OC2=C1C=CC=C2	3015348
NNC(=O)CC1=C(Cl)C=CC=C1	3015351
COC1=CC(OC)=C(OC)C=C1C(=O)NN	3015356
CC(C)(O)C(=O)NN	3015527
COC(=O)C1=C(NC(=O)CCl)SC(C)=C1	3015584
CN1C(S)=NN=C1C1=CC=C(F)C=C1	3017973
CN1C(S)=NN=C1C1=CC=CO1	3015761
CCN1C(S)=NN=C1C1=CC=CO1	3015762
CC1=C(C2=NN=C(S)N2C)C=CO1	3015779
CCN1C(S)=NN=C1C1=C(C)OC=C1	3015780
C=CCN1C(S)=NN=C1C1CC1	3015784
CCCN1C(S)=NN=C1C1CC1	3015785
CC(C)N1C(S)=NN=C1C1CC1	3015786
CN1C(S)=NN=C1C1=CC=CC=C1	3017963
C=CCN1C(S)=NN=C1C1=CC=CC=N1	3018053
CCC1CCC(N)CC1	3018386
O=C(O)C1=CC2=C(CCCC2)S1	3018456
CC1CCC2=C(C=C(C(=O)O)S2)C1	3018457
CCC1CCC2=C(C=C(C(=O)O)S2)C1	3018458
CCCC1CCC2=C(C=C(C(=O)O)S2)C1	3018459
CC(C)(C)C1CCC2=C(C=C(C(=O)O)S2)C1	3018460
O=C1CCN(C2=CC3=C(C=C2)NN=C3)CC1	4000317
COC1=C(N2CCC(=O)CC2)C=CC=C1	4000319
CN1C=CN=C1C(O)C1=CC=CS1	4001454
CC(N)CN1C=CC2=C1C=CC=C2	4001645
FC1=CC=C(C2CCCN2)C=C1	4002375
COC1=CC=CC=C1C1CCCN1	4002377
CC(N)CC1=CC=NC=C1	4002036
NCC1CC12CCCCC2	4002225
CCOC(=O)CC1COCCN1	4002047
CC(=O)C1=CN(C)N=C1C	4002405
CC1=NN(C)C=C1C(C)N	4002406
COC1=CC=C(C(=O)O)O1	4001967
BrC1=CC2=C(C=C1)OC=N2	4002139
O=C(O)CCN1CC2=C(C=CC=C2)C1=O	4001979
O=C1CCN(CC2=CC=CN=C2)CC1	4001983
NC1=CC=CC2=C1C=NC=N2	4002178
O=C(C1=CC=C(F)C=C1)C1=CN=CC=C1	4002183
CCOC(=O)CC(=O)COC1=CC=C(C)C=C1	4002003
CC1=NC2=C(C=CC=C2)N1C(C)C(=O)O	4002577
BrC1=CC=C2CCNCC2=C1	4002740
O=C(O)C1=CN(C2=CC=CC=C2)N=C1	4003097
C1CC2(CCN1)CCO2	4002784
CC1=CC=CN=C1CCN	4002940
O=C(O)CC1CCC(=O)N1	4002524
NCCSC1=CC=CC=C1	4002675
CNS(=O)(=O)C1=CC=C(C=O)C=C1	4002854
CCC[C@H]1C[C@H]1C(=O)O	4003600
COC1=CC=C2C(=C1)N=C(C)C=C2C(=O)O	4003779
CC1=C2N=CC=CC2=C(CN)C=C1	4003231
NCCCN1CCC2=CC=CC=C21	4003431
O=C(O)C1=NOC(C2CC2)=C1	4003318
O=C(O)C1=CC=CC(C2=CC=CO2)=C1	4003495
CC(C)CC1=CC(C=O)=NN1	4003141
OCC1=CNN=N1	4003329
NCC1CCCCO1	4003524
CNC(C1CC1)C1CC1	4003538
O=C(O)C(C1=CN=CC=C1)N1CCOCC1	4003714
COC1=CC=C(C2=CC=C(C=O)O2)C=C1	4003571
O=C(O)C1=CC=C2C=CC=CN21	4003575
CNC1CCOC1	4003583
O=CC1=CC2=NON=C2C=C1	4003957
O=C=NC1CCS(=O)(=O)C1	4004165
Cl.NCC1(C2=CC=CC=C2)CC1	4004583
CC1=CC(C)=CC(N2CCNCC2=O)=C1	4004190
COC1=CC(C=O)=C(Cl)C=C1O	4004195
CNCCCN1CCCCC1	4004398
NCC[C@@H]1C[C@@H]2C=C[C@H]1C2	4004416
O=C(O)C[C@@H]1C[C@@H]2C=C[C@H]1C2	4004417
CC(C)(C)OC(=O)N1CCCC(N)C1	4004065
CC(C)(CN)N1CCCC1	4004269
CC1=NNC(C(=O)O)=N1	4003911
CC1=CC=C(CCN)S1	4004130
C1=CSC(C2CCCN2)=N1	4004908
CCN1C=CN=C1CN	4004956
CC(=O)C1=NNC(C(=O)O)=C1	4005123
CC1=C(C)C=C2NC(CCN)=NC2=C1	4003826
CN1CCN[C@@H](C2=CC=CC=C2)C1	4004801
CC(C)[C@H]1CN(C)CCN1	4004802
CC1=C2NC(C3CCCNC3)=NC2=CC=C1	4004702
CC1=C2NC(C3CCNCC3)=NC2=CC=C1	4004703
O=C(O)C1=CN=NN1C1=CC=CC=C1	4005678
CCC1CCCCN1CCC(=O)O	4005764
CC1=C(CC(=O)O)C2=CC=CC(F)=C2N1	4006285
CNCC1=CC2=C(C=C1)CN(C)C2	4006113
O=CC1=CC=C(N2CCCC2=O)C=C1	4005984
CC(=O)NC1=NC=C(S(=O)(=O)Cl)S1	4005987
NC1=C(C2CC2)C=CC=C1	4005989
OC1(C2=CC=CC=N2)CCNCC1	4005872
NC1=CC=C2NC(=O)CC2=C1	4006397
O=C(C1=CC=CC=C1)C1CCCNC1	4005888
OC(C1=CC=CC=C1)C1CCNCC1	4005907
OC(C1=CC=CN=C1)C1CCNCC1	4005912
FC(F)(F)C1=CC=CC(OC2CCNCC2)=C1	4009836
COC(=O)C1=NNC(N)=N1	4009538
CC1=C(CCl)C=CN=C1	4010334
CC1=CC2=C(C(=O)O)C=CN=C2C=C1	4010352
CC1=NNC(C(=O)O)=C1C	4010193
O=C(O)C1=CC2=CC=CC=C2NC1=O	4009893
O=CC1=CN=C(C2=CC=CC=C2)N=C1	4010266
CC1=NON=C1C1CCCN1	4010289
OC1CCCCC1N1CCNCC1	4010894
NCCN1CCCC(O)C1	4011102
CC12CCC(C(=O)O)(CC1=O)C2(C)C	4010937
COC(=O)C1=CC(C=O)=CS1	4010580
NS(=O)(=O)C1=CC=CC=C1C(=O)O	4010962
CN1CCCCC1CCN	4011191
NC1=CC=CC(CN2C=CN=C2)=C1	4011205
C1CCC(C2CCNC2)CC1	4010647
CCOC(=O)[C@H]1[C@H]2CNC[C@H]21.Cl	4108192
CCC1=NN=C(C2=CC=CC(N)=C2)N1	4011449
CCC1=NOC(C2CCCN2)=N1	4012105
NC1=CC=C(OCC2=NC=CC=C2)C=C1	4012449
Cl.N[C@H]1CCC[C@@H](O)CCC1	4012467
O=C(O)C1CC2CCC(C1)N2	4012301
CC(=O)NC12CC3CC(C1)C(=O)C(C3)C2	4012469
O=CC1=NC(C2=CC=CC=C2)=NO1	4012313
O=CC1=CNN=C1C1CCCCC1	4012168
CNCC1=NC2=CC=CC=C2C=C1	4012512
NC1=NC(CC2=CC=CC=C2)=CS1	4012378
O=C(O)C1=CC=C2NC(=O)C(=O)C2=C1	4012386
O.O=C([O-])C1=NC(C2=CC=CC=C2)=NN1.[K+]	4012235
CC1=CC(C)=NC2=NN=C(C(=O)O)N12	4013105
CN(C)C1=NC=C(C=O)S1	4013292
Cl.Cl.NCC1=NC2=C(C=CC=N2)O1	4013110
CC1(CCC(=O)O)CC1	4012703
CC1=CC(=O)N2N=C(CC(=O)O)N=C2N1	4012919
CCCN1N=CC(N)=N1	4013410
ClC1=NC(C2=CC=CC=C2)=CC=C1	4013425
O=C(O)C1=CC2=C(CCCCC2)S1	4013300
NC1CCN(CC2=CC=CC=N2)CC1	4013597
O=C(O)CC1=CNC(=O)NC1=O	4014371
CCC1=NC(N)=NO1	4014409
O=CC1=CC=CC(CN2CCOCC2)=C1	4014744
O=C(O)C1(C2=CC=C(F)C=C2)CC1	4014601
CC(C)(C)[Si](C)(C)N1C=C(B(O)O)C2=C1C=CC=C2	4014475
CC(C1CC1)N1N=CC=C1N	4014341
Cl.Cl.NCC1=NC=CC(O)=C1	4014665
CC1=NC=C(C(C)N)C=C1	4014888
O=C(O)C1=CNC2=NC=NN2C1=O	4015081
O=C(C1CC1)N1CCCNCC1	4014924
NCCCCC1=NC=CC=C1	4014928
O=C(O)C1(C2=CC=C(F)C=C2)CCOCC1	4014951
O=C(O)C1=CC2=NN=CN2C=C1	4015137
NC1CCSC1	4014976
CN1CCCCC1CC(=O)O	4014978
CC1=CC(C)=CC(OCCN)=C1	4015011
COC1=CC=C(CNN)C=C1OC	4015019
CC1=CC=C(Cl)C(OCCN)=C1	4015041
CNCCN1CCN(C)CC1	4015222
CC(C1=CC(B(O)O)=CC=C1)N(C)C	4015542
O=CC1=CC=NN=C1	4015481
C1CC(CN2CCNCC2)C1	4015497
O=C(C1CCCN1)N1CCCCC1	4015498
CN1CCNCC1CCO	4016236
CCOC(=O)C(=O)C1CCCCC1	4016274
CCN1N=C(C)C(CCN)=C1C	4016599
COC1=CC(CN)=NC=C1	4016645
CNCC1=NC=CC(OC)=C1	4016647
O=C(O)CC1COCCO1	4016657
NCCC1COCCO1	4016659
OCCC1CCCO1	4016666
CC1=NN(CCN)C=C1	4016693
O=C(O)C1COCCO1	4016984
O=C(O)C1=CC=C(N2C=NN=C2)N=C1	4017326
CC1CCCCN1CCC(=O)O	4017040
C[C@H]1CN(CC(=O)O)C[C@@H](C)O1	4017728
CN1N=C(C(=O)O)C2=C1CCCC2	4017570
CN(C)C(CN)C1=NC=CC=C1	4017788
CCC1(CO)CCCNC1	4017649
CCC1(N)CCOCC1.Cl	4017685
CC1CCN(CCC(=O)O)CC1	4017725
CNC(=O)C1CCCN1	4018265
CC1=NC(N)=NN1C(C)C	4018426
CN(C)C(=O)C1CCCN1	4018266
BrC1=C2C=COC2=CC=C1	4018336
NC1=NC(Cl)=NN1	4018524
CC1(CN)CCCO1	4018199
CC(C)N1C=C(N)N=N1	4018384
CN1C=NN=C1N	4018387
C1=CC=C(C2CCN2)C=C1	4019047
CC[C@]1(C)CCCNC1	4018894
CC1=NC(C(=O)O)=C(Cl)C=N1	4019250
OCC1=NN=C(C2CC2)O1	4019449
COCCC1CNCCO1	4018985
NC1COC2(CCCC2)C1	4019024
NCCCC1=CC=CC=C1Cl	4019783
NC1CCNC1=O	4019954
CCC1=CC=C(C=O)N=C1	4019624
O=CC1=CC(C2CC2)=NN1	4019850
CNCC1=CC(C)=NC=C1	4019510
C1COCC2(CC2)CN1.Cl	4020266
Cl.Cl.NC1CCNC(=O)CC1	4020296
CC1=C(C(=O)O)C2=CC=CC=C2NC1=O	4020493
C1CNC(CN2CCCC2)C1	4020531
C1CNCC2(C1)CC2.Cl	4020954
CC1=NN(C)C(CN)=N1.Cl	4021149
CNCC1=NC(C)=NN1C.Cl	4021150
CC(O)C(C)(C)N	4021798
Cl.NC(=O)CC1CNCCO1	4021651
C1=CC=C(C2CNC2)C=C1	4021486
CC1=CC(CN)=CC(C)=N1	4021497
NC(=O)COC1=CC=C(C(=O)O)C=C1	4021970
C1CC2(CCO1)CNC2.Cl	4021581
Cl.Cl.N[C@H]1CC[C@@H](N2C=NC=N2)CC1	4023215
CN(CC(=O)O)C1=NC=C(C=O)C=N1	4023646
NCC1CCCC(O)C1	4023807
O=C(O)C1=CC=C(N2C=NN=C2)C=C1Cl	4023533
CC1(C(=O)O)CCC(=O)O1	4023942
CC1=CC2=C(C=C1Cl)C(CC(=O)O)=CO2	4024370
NCC1=CNN=C1C1=CC=CS1	4025561
CCNC1=NC=C(C(=O)O)C=N1	4025321
COC1=CC=CC(C(C)(C)N)=C1	4025643
COCC(N)C1=CC=NN1C	4025898
CCNC1CC1	4026907
NCC1(CN2C=CN=C2)CC1	4026736
CCC1=NC=CN1CC1(CN)CC1	4026738
CCC1CNC(=O)C1	4026756
CC(=O)N1CCCC2=CC(Br)=CC=C21	4026805
N=C(N)CC1=CC(Cl)=CC=C1	4027438
CCC1CCC(=O)N1	4027451
CCN(C)CCNC	4027628
NC1=CC2=C(C=C1)OCC(=O)N2	4027629
CC1=CC=C2C(=C1)C(C(=O)O)=NN2C	4027838
CC1=CC=C2C(=C1)C(CN)=NN2C	4027389
CC1=C(C)C(CO)=CS1	4027732
CN1N=C(C2=CC=C(F)C=C2)C=C1N	4027418
CC1CC2=C(C=CC(C(=O)O)=C2)O1	4027432
CC1=CC=CN=C1C(N)C1CC1	4028386
COCC1=NC(CN)=NO1	4028566
NC1=CC=CC(OC2CCCC2)=C1	4028025
CCC(=O)N1CCCC1C(=O)O	4028221
CS(=O)(=O)N1CCCC1C(=O)O	4028055
CCC(=O)NCCN	4028425
NC1=NC2=C(CCC2)C(Cl)=N1	4028080
C1=CN2CCNCC2=C1	4028089
CCCC1=CC=C(C=O)O1	4028093
CC1=NC(N)=NC(C)=C1CC(=O)O	4028502
CC1=CC=C2C(=N1)C=CC(C)=C2N	4100118
NCCC12CC3CC(CC(C3)C1)C2	4100380
NC1CCCN(CC2=CC=CC=C2)C1	4101902
[H]C1=NC=C(CO)S1	4050354
[H]C1=NNC(Br)=N1	4050415
NC(C1=NC=CC=C1)C(F)(F)F	4100718
OCC1CCCN(C2CCNCC2)C1	4100010
NC(C1=CC=CO1)C(F)(F)F	4100727
NC1CS(=O)(=O)CC1O	4100779
CC(=O)NC(C)C1=CC=CC(N)=C1	4028642
CNCC1CCCN1C	4100050
Cl.Cl.NCC1=CN2C=CN=CC2=N1	4100853
O=C(O)[C@@H]1C[C@@H]2C=C[C@H]1C2	4101659
CC(C)(CO)N1CCCC1	4028689
CC1=C(C(=O)O)NC2=CC=CC=C21	4140536
CNCCC1=C(C)NN=C1C	4110868
COC(=O)C1=CC(F)=CC(N)=C1	4141938
C[C@@]1(C(=O)O)CCCN1	4142038
CNCC1=CC(C2CC2)=NN1	4102157
CN1CCN(C2(CN)CCCCC2)CC1	4102177
NCC1(N2CCCC2)CCCC1	4102179
NCC(C1=CC=NC=C1)N1CCOCC1	4102835
CC1=C(C2=CC=CC=C2)N=C(N)S1	4102420
O=C(O)C1CCCCCN1	4140254
NC1=NC(C2=CC=C(C3CCCCC3)C=C2)=CS1	4102892
CNC(C(=O)O)C1=CN=CC=C1	4141573
CN1CCN(C2=CC=C(N)C=C2)C1=O	4102942
O=C(O)CC1=CC=C(N2CCNC2=O)C=C1	4140456
COCC1=CC=C(C=O)O1	4301975
CC1=C(C=O)N2C=CC=CC2=N1	4302991
OB(O)C1=C2C=CC=NC2=CC=C1	4202092
CN1C=C(C=O)C=N1	4301129
CC1=NC=C(C=O)S1	4301186
COC1=C(C=O)C=C2OC(C)=C(C3=CC=CC=C3)C2=C1	4300128
O=CC1=CN=NN1	4301610
COC(=O)C1=C(C)N=C(N)S1	4142897
COC(=O)C1=C(N)SC(C(N)=O)=C1C	4143063
O=CC1=CN=C2C=CC=CN12	4302744
O=C(O)CC1C(=O)NC2=CC=C(F)C=C21	4402024
COC1=CC=C2NC(=O)C(CC(=O)O)C2=C1	4402028
COC1=CC=C2C(=C1)NC(=O)C2CC(=O)O	4402029
CC1=C(C)C2=C(C=CC(C(=O)O)=C2)N1	4400276
O=C(O)CC1=NC(C2=CC=CC=C2)=CS1	4400646
CN1CCOCC1C(=O)O.Cl	4402104
O=C(O)C1=CN=C2CCCC2=C1	4401409
CC1=CC=C(C2=CC(C(=O)O)=CC=C2)C=C1	4400410
CN1C=CC(CC(=O)O)=C1	4400835
CC1=C(C(=O)O)OC=N1	4401487
O=C(O)C1CCCN(C2=CC=CC=N2)C1	4401561
O=C(O)C1=C2N=CC=CN2N=C1	4401593
O=C(O)C1=CNC(C2=CC=CC=C2)=N1	4401605
O=C(O)C1=CC=CC(C2=CC=C(Cl)C=C2)=C1	4401316
CN1C(C(=O)O)=NC2=C1C=CC=C2	4400229
CC1(C)CC(C(=O)O)CCO1	4400231
O=C(O)C1=NNC(C2=CC=CN=C2)=C1	4401332
CC1(C)OC(C2=CC=CC=C2)CC1=O	5106458
COC1=CC=C(C2CC(=O)C(C)(C)O2)C=C1	5106459
O=C1NC2=CC=C(S(=O)(=O)Cl)C=C2O1	4901290
CC1=C(CCCN)C2=C(C=CC=C2)N1	5102577
O=C1C=C(O)C2=C(C=CC=C2)S1	5102960
CC1=NN(C2=CC=CC=C2)C(C)=C1N=C=O	4500245
O=C(C1CCCC1)C1CCCC1	5100809
COC1=CC=C2C(C)=C(C(=O)O)OC2=C1OC	5110082
CC(=O)CC(=O)NC1=CC=C(Br)C=C1	5136053
OC1=CN=CC(CC2=CC=CC=C2)=C1	5111923
CC1C(=O)CCN(C)C1C1=CC=CC=C1	5118842
O=C(O)C#CC(O)(C1=CC=CC=C1)C1=CC=CC=C1	5118935
CCOC(=O)C1=CC2=C(C=C1)N(CCO)C(C)=N2	5119839
IC1=CC=C(C2=CN3C=CSC3=N2)C=C1	5121469
O=C(O)CNC1=NC2=C(C=CC=C2)S1	5109398
OC1=CC=CC2=C1N=C(NC1=CC=CC=N1)C=C2	5175087
O=C(O)COC1=CC=C(C23CC4CC(CC(C4)C2)C3)C=C1	5141918
O=C(O)C1(S(=O)(=O)C2=CC=CC=C2)CC1	5144090
CCN1C(C)=NC2=C1C=CC(O)=C2	5157009
CCSC1=NN=C(CN)O1.Cl	5147135
CCC(=O)C1=C(N)C=C(Br)C=C1	5216238
CC1=NNC(C)=C1C1=C(O)C=CC=C1	5217462
CC1=CC(C)=C(O)C2=C1C=CC(Cl)=N2	5175098
CC1=CC(C)=C(O)C2=C1C=CC(C(=O)O)=N2	5175122
CN(C)CC(OC1=CC=C(Cl)C=C1)C(=O)O	5213112
OC1=C(Cl)C=C(Cl)C2=C1N=C(Cl)C=C2	5175177
O=C(O)C1=CC=CC=C1SCC(=O)C1=CC=CC=C1	5209067
NNC1=NC2=C(C=CC=C2)N=C1S	5215319
COC1=CC=CC(NC(=O)[C@@H]2C3C=CC(C3)[C@@H]2C(=O)O)=C1	5221994
CC1(C)CN=C(N2CCNCC2)S1	5237127
CCCCOC1=CC=CC(C2(C(=O)O)CCCC2)=C1	5238076
CC1=CC2=C(C=C1)NC1=C2CCCC1C(=O)O	5219672
COC1=CC=CC(OCCCBr)=C1	5300128
ClC1=NC=NC(N2CCOCC2)=C1	5338845
ClC1=CC=NC(C2=CC=CC=C2)=N1	5339967
CC(=O)C12CC3CC(CC(O)(C3)C1)C2	5351486
O=C1C2CC3CC1CC(C(=O)O)(C3)C2	5343854
O=C(O)C1=C2C=CC=CC2=NC(C2=CC=C(O)C=C2)=C1	5349475
O=C1C2CC3CC1CC(C(=O)N1CCOCC1)(C3)C2	5357760
CC(=O)CCN1C=NC=N1	5358049
CC(=O)OC1=CC(C(=O)O)=CN=C1	5511863
O=CC1=CC=CC=C1C1=CC=CC=C1C(=O)O	5559904
OCCC#CCN1CCOCC1	5543278
O=C(O)/C=C(/C1=CC=CC=C1)C(F)(F)F	5563349
O=C(O)CC1=CC2=C(C=C1)NC1=C2C=CC=C1	5584651
CC1=CC(OCCC(=O)O)=CC=C1	5579227
O=C(O)C1=CC2=C(CCCC2=O)N(C2=CC=CC=C2)C1=O	5561748
CC(C)C1=C(OCCBr)C=CC=C1	5581725
CC1=CC(C)=NC2=C(C(=O)O)C=NN12	5677292
CC1=CC(C2=NN=C(N)O2)=CS1	5735250
O=[N+]([O-])C1=CC=C(N2CCNCC2)C=C1N1CCOCC1	5764926
O=[N+]([O-])C1=CC=CC(Cl)=C1N1CCNCC1	5749393
CC1CN(C2=CC=C([N+](=O)[O-])C(NCCO)=C2)CCN1	5750692
CC1=CC(O)=C2C=C(C(=O)O)C=CC2=N1	5795681
O=C(O)/C=C/C1=CC=C(C2=CC=CC(Cl)=C2Cl)O1	5852005
COC1=CC=C(C2=CSC(N)=N2)C=C1Br	5846891
CC1(C#CC(=O)O)CC1(Cl)Cl	5856011
NC1=C(Cl)C(C(=O)O)=NN1	5815795
O=C(O)C1=C(SCCO)C=CC=C1	5918701
CC(C)C1NC2=C(C=CC=C2C(=O)O)C2C=CCC21	5869459
O=C(O)C1=C(S(=O)CCO)C=CC=C1	5916945
CCN1C=C(C(=O)O)C(=O)C2=C1C=CC(C1=CC=CO1)=C2	6044230
OC1=CC=CC=C1C1=NOC(C(F)(F)F)=C1	6001359
NS(=O)(=O)C1=CC(C2=CC=C(C=O)O2)=CC=C1	6102433
CCOC(=O)C(C(=O)O)C1CCCCC1	6076455
O=C(O)C1=CC=CC(N2C(=O)C3=CC=CN=C3C2=O)=C1	6096141
CC1=CC=C2N=CN=C(N)C2=C1	6142951
COC1=CC2=C(C=C1)OC(C1=CC=CC=C1)=C2C(=O)O	6118696
CCOC(=O)C1=C(N)SC=C1C1=CC=NC=C1	6132512
CCOC1=CC=C(C(=O)O)C=C1OC	6132518
CNC1CCOC(C)(C)C1	6335021
COC1=C(C)C=C2C(=O)CCCC2=C1	6368122
CC(C)OC1=C(Cl)C=C(C=O)C=C1	6442605
CN1C(C2=CC=C(C=O)O2)=NC2=C1C=CC=C2	6423830
O=C(O)C1=CC=CC(C2=NC3=CC=CC=C3N2)=C1	6435212
C[C@H]1CC(=O)[C@@H]2CCCC[C@H]2N1	6482384
Cl.ClCC1=NNC=N1	6604383
CC1=CC(=O)C2=CC=CC(C(=O)O)=C2N1	6629058
O=C1CC(=O)N(C2=CC=C(C(=O)O)C=C2)C(=O)N1	6630114
O=C(CCl)NC1=C(C2=CC=CC=C2)C=CC=C1	6636578
CC(C)OC1=CC=C(C2(C(=O)O)CCCC2)C=C1	6666041
OC1=CC=C(C2=NC(C3=CC=C(Br)C=C3)=NO2)C=C1	6791247
CC1CCCC(C)N1C(=O)CN1C=C(C=O)C2=C1C=CC=C2	6877987
CCCC1=C(C2=CC=C(OC)C=C2)N=C(N)S1	6878082
CC(C)C(OC1=CC=C(Cl)C=C1)C(=O)O	6846862
CN1CCN(C2=C(C=O)C(=O)N3C=CC=CC3=N2)CC1	6895554
NC(=O)C1=CC=C(C(=O)O)S1	6969221
O=C(NC1CC1)C1=CC=CC=C1Br	7273951
CC1=CC=C2N=CN=C(Cl)C2=C1	7188065
COC1=CC=C(NC(=O)CCCl)C=C1Cl	7188425
C=CCNC(=O)C1=CC=CN=C1Cl	7278682
CCC1=CC(NC(=O)CCl)=CC=C1	7230494
CC1=C(NC(=O)CCCl)C(C(C)C)=CC=C1	7245768
O=C(NC1CC1)C1=CC=CN=C1Cl	7257964
Cl.NC1=NC(NC2=CC=CC=C2)=NC2=CC=CC=C21	7752936
NC(=O)COC1=CC=C(Cl)C=C1C=O	7763392
O=CC1=CC=C(OCC(=O)NC2=NC=CS2)C=C1	7865702
CC(N)C1=NC(C2=CC=C(Cl)C=C2)=NO1	9016585
COC1=CC(OC)=C(C=O)C=C1Cl	7952636
CC1=CC=C(N2N=CC(C3=CC=CC=C3)=C2N)C=C1	7959811
COC(=O)C1=CC=C(N2N=C(C)C=C2N)C=C1	7961815
OCCC1CNCCN1CC1=COC=C1	9020625
C=C(C)CN1C(N)=NC2=C1C(=O)N(C)C(=O)N2C	9020919
O=C(NC1=CC=C(O)C=C1)C1CCCO1	7969080
CN1N=NC(C2=CC=C(C(=O)O)C=C2)=N1	7926714
CCCC(=O)NC1=CC=C(CC(=O)O)C=C1	9070456
COC1=C2CCCC(=O)C2=C(C)C=C1	9070835
CNC/C=C/C1=CC=CC=C1	9070687
COC1=CC=C(C(=O)C2=NC=CN2)C=C1	9070693
COC(=O)C1=CC(C)=CC(Br)=C1N	9033713
CCNCC1=CC=CN=C1	9070410
CC1CCCC(C)N1C(=O)CCl	9070778
CC1CN(C(=O)CCl)CC(C)O1	9070977
CC1=CC(C)=C(C=O)C=C1CN1C=NC=N1	9071543
O=C(C1=CC=C(Br)C=C1)C1=NC=CN1	9071536
CC(C)C(=O)NCC1=CC=C(C(=O)O)C=C1	9071245
CC1=CC=CC(C2=NOC(CCC(=O)O)=N2)=C1	9070924
CC1=C(C(=O)O)C=C(C(C)C)O1	9071314
CC1=CC=C(C(=O)O)N1C	4028920
O=C(O)C1CC(O)C1	4028966
CCNC(=O)C1=CC=CN=C1Cl	9071766
CC1=C(C(=O)O)C=NC2=CC(=O)NN21	9071778
CS(=O)(=O)NC1=CC=CC=C1O	9071985
CN(C)C1=CC=C2N=C(N)SC2=C1	4029602
CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1CCNC2	4029635
ClC1=NN=CC(N2CCCC2)=C1	4029142
CC1=NOC(C2=CC=CC(O)=C2)=N1	4029481
CC1=C(N)C(Br)=CC(C(=O)O)=C1	4029495
CC1=C(C=O)N(C)N=C1	4028990
CC1=C(N)C2=C(C=C1)N=CN2	4029344
CC1=NC(C(=O)O)=C(C)S1	4029525
COC1CC(C(=O)O)C1	4029580
O=CC1(C2=CC=C(F)C=C2)CCOC1	4029252
CNC(=O)C1CCNC1	4029785
O=CC1=CC2=CC(Br)=CC=C2N1	4030140
CCN1N=CC=C1C(C)=O	4030142
CC1=NC=CN=C1C=O	4030187
O=CC1=CSN=C1	4030020
CO[C@@H](C)C#N	4030194
CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1CO	4029709
CC1=NOC(C)=C1C1CCCN1	4030265
CNC1=C2CCCC2=NC(Cl)=N1	4029944
O=CC1=CC=NS1	4030495
CC(=O)C1=NN(C)C=C1Cl	4030700
C1=CN=CC(C2CNCCO2)=C1	4030873
CC1=C(N)C=C2C(=C1)N(C)C(=O)N2C	4031054
CCN1C=CC(C(C)N)=N1	4030727
OC1CCSC1	4030923
CN1C(=O)C(C(=O)O)=CC2=C1CCCC2	4030390
ClC1=NC=NC2=C(Br)C=NN12	4030578
NCC1=CC=C(C(N)=O)C=C1	4030428
CCN1C=CC(C=O)=N1	4030460
CN1CC[C@H]2CC[C@@H](C1)N2	4030828
CC1=C(Cl)C(C)=C(C(=O)O)C(=O)N1	4031024
O=C(O)C1=C(F)C=CC(S(=O)(=O)Cl)=C1	4031390
OB(O)C1=CCC2(CC1)OCCO2	4031791
CC(C)(C)OC(=O)N1CC[C@H]2CC[C@@H](C1)N2	4031609
CC1=NC(C=O)=NN1C	4031273
O=C(O)C1=CC=NN1C(F)F	4031630
NC1=C(C2=CC=CC=C2)N=C2C=CC=CN21	4031280
CC(=O)C1=CC=CN=C1Cl	4031453
BrC1=C2N=CNC2=NC=N1	4031319
NC1=CC=C(Br)C2=C1N=CC=C2	4031169
CO[C@@H](C)CO	4031352
NC(C1=CC=C(Cl)C=C1)C1=CC=CN=C1	4031537
C=CCN1CCCC1C(=O)O	4032336
CC1=CC(NN)=NC=C1	4032386
OC1CC2CCCC(C1)N2	4032015
NCC1CC2CCC1O2	4032075
NCC1=NC(C2=NC=CC=N2)=NO1	4033228
COCC1=C(C)ON=C1C(=O)O	4033253
CNC(=O)C1=CC(CN)=CC=C1	4032830
O=C(O)C1=CC2=CC(F)=CC(F)=C2N1	4033095
CC1=CC(C)=C2C=C(C(=O)O)NC2=C1	4032863
CC1=C(C)SC(CCl)=N1	4033196
NNC(=O)C1=CC=CC=C1CO	4033429
O=C(O)C1=CSC(C2=NC=CC=N2)=N1	4034352
CCN1CCCC1C(=O)O	4034157
NC1=NN=C(C2CCCO2)S1	4033972
CN1C(C(=O)O)=CC2=C(Cl)C=CC=C21	4034013
COC1=CC=C(S(=O)(=O)Cl)C(C)=C1C	4033822
CC1(C)CC(CO)CCO1	4034242
CCC1=C(CN)SC(C)=N1	4033654
CC(N)CCN(C)C	4033886
CC1(C)CCCNC1=O	4035135
C[C@@H]1CNC[C@H]1C.Cl	4034801
COC1=CC2=C(C=C1C(=O)O)CCC2	4034594
CNCCC(=O)N(C)C	4034649
C1CC2=C(CN1)C(C1CC1)=NN2	4034692
CC(C)(N)CCCO	4034885
CS(=O)(=O)C1=C(F)C=C(N)C=C1	4035067
CN1N=NN=C1I	4035072
O=C1CCC(CCl)O1	4035082
CC1=NC(C(C)C)=NC=C1C(=O)O	4035107
C1=CC=C(C2=NN=CN2)C=C1	4035858
CC(C)NC1=NC=C(N)C=C1	4035510
CCN1CCC[C@H]1CCl	4035333
CN1N=CN=C1C#N	4035880
O=C1NCCCC12CCCN2	4035718
O=C1NCCC12CCC2	4035729
CN1CCCC2(CCNC2)C1	4035740
CN1C=CC(C(=O)NN)=N1	4035209
CN1CCNCC12CCN(C(=O)OC(C)(C)C)CC2	4035589
CN1C=C(Br)C(C(=O)O)=N1	4035239
CC(N)C1(O)CC1	4035778
CN1C(=O)OC2=C1C=C(C(=O)O)C=C2	4035240
O=C(O)C1=CN=C(C2CC2)NC1=O	4035618
CC1=NC2=CC(C#N)=CC=C2N1	4035793
COC1CC(N)C1	4035443
O=C1NC2=CC=CC(Cl)=C2C1=O	4035272
CN1CCCNCC12CCN(C(=O)OC(C)(C)C)CC2	4035647
CN1CCCNC(=O)C12CCNCC2	4035833
ClC1=CC=CC2=C1NN=N2	4035307
O=CC1=CC2=CC=C(O)C=C2N=C1	4035676
O=C(O)C1=CC=NC2=C1C=CC=C2	3001740
COC1=CC=C(CCC2CCNCC2)C=C1	3001741
CC(C)(C)OC(=O)NC1=NC=C(CO)O1	3001745
CC1=CC=CC(C(C)N)=C1	3001756
N#CC1=CC=C2C=CC=NC2=C1	4036036
CCC1=C2N=C(C)C=C(C(=O)O)C2=CC=C1	3001761
O=S(=O)(N1CCCC1)N1CCC(C2CCNCC2)CC1	3001765
CCCN1C2=CC=CC=C2N=C1N	3001769
NC1=CN(C23CC4CC(CC(C4)C2)C3)N=C1	3001770
O=C(O)C12CCCC1CN(CC1CC1)C2	3001775
NC1=NC2=C(C=C(Br)C=C2)S1	3001777
CC1CCCCN1CCO	3001778
CCC(C)C1=NN=C(N)S1	3001779
CC1=NN(CCC#N)C(C)=C1Br	3001788
CC1=NC(C2=CC=CC(C=O)=C2)=NO1	3001792
O=C=NCC1CCCO1	3001794
CNCC1=NON=C1C	2102338
CC1=NN(C2=CC=C(N)C=C2)C=C1	3001542
FC1=C(CCC2CCNCC2)C=CC=C1	3001546
CC(C)C1=CC(C(=O)N2CCOCC2)=C(N)S1	3001547
O=C(O)C1=NOC(C2=CC=C(F)C=C2)=C1	3001822
N#CC1(N2CCCCC2)CCCC1	3001828
NC1=CC=C(S(=O)(=O)N2CCOCC2)C=C1	3001551
COC(=O)C1=CC=C2NC(=O)COC2=C1	3001552
O=C(O)C1CC(C2=CC=CC=C2O)=NO1	3001558
CC1=NNC(C)=C1F	3001804
CC1=CC=C(C2CCCCCN2)C=C1	3001807
FC(F)(F)C1=CC=C(CN2CCNCC2)C=C1	3001812
CC1(C)OC(C)(C)C2=C1SC(N)=C2C#N	3001565
O=[N+]([O-])C1=NNC=C1	3001567
NNC(=O)CCC(N)=O	3001572
CC1=CC=C(C(=O)O)S1	3001579
C1CC(C2=NN=NN2)CCN1	4036282
CC1=CC2=C(C=C1)OC(CCN)=N2	3001583
O=S(=O)(Cl)C1=C(Cl)C=CC2=NSN=C21	3001589
CC1(CBr)OCCO1	3001590
NC1=CC=C(N2CCCCC2)C2=NON=C12	3001607
CC(C)(C)C1CCC(N)CC1	3001608
CC(N)C1=NC=CC=C1	3001612
COC(=O)C1=C(N)SC=C1	3001619
O=C(O)C1=NOC(C2=CC(O)=CC=C2)=C1	3001623
O=C(O)CC1=CN=CNC1=O	4036148
CCCN1CC(C(=O)O)CC1=O	3001633
O=S(=O)(Cl)C1=C(F)C=C(F)C=C1	3001641
CC1=CC=C2OC(N3CCCNCC3)=NC2=N1	3001642
CC(C)CC1=CC=C(S(=O)(=O)Cl)C=C1	3001643
O=C(O)CCS(=O)(=O)C1=CC=CC=C1	3001644
CC1(C)CCNC(=O)C1	4036163
NC(=O)C1=CSC(Cl)=N1	4036343
CC1=C(S(=O)(=O)Cl)C2=NON=C2C=C1	3001662
NC1=NC2=C(C=C(Cl)C=C2)S1	3001664
CC1=CC2=C(C=C1)C(Cl)=C(C(=O)O)S2	3001667
NNC(=O)C1=CC(N2C=NN=N2)=CC=C1	3001669
COC(=O)C1=C(N=C=O)SC=C1	3001675
CC1=NOC(Br)=N1	4036004
CC1=CC=CC(CN2C=CC(N)=N2)=C1	3001687
CC1=CC=C(S(=O)(=O)N2CCNCC2)C=C1C	3001689
NC1=CC=C(CC2=CC=NC=C2)C=C1	3001690
O=C(O)C1=CC(C2CCCCC2)=NO1	3001691
CC(C)C1=CC=C(CN2CCNCC2)C=C1	3001698
CC1=CC=C2N=CC=C(Br)C2=C1	4036005
O=C(O)C1=CC(C2=CC=C(F)C=C2)=NO1	3001710
CC(N)C(C)(C)C	3001722
O=C(O)C1CC(=O)N(C2=CC=C(F)C=C2)C1	3001724
COC1=CC=C(C2=NN=C(N)O2)C=C1	3001727
CC1=CC(NN)=NC2=C(C)C(C)=CC=C12	3001730
CC1=C2N=NNC2=CC=C1	3002703
O=C=NC1=CC(Cl)=C(F)C=C1	3002706
NC1=CC=CC2=NON=C12	3002710
CC1(C(=O)O)CC(C2=CC=CC=C2)=NO1	3002711
NNC(=O)C1=CC=C2C=CC=CC2=C1	3001995
O=C(O)C1=NN2C=CC=NC2=C1Cl	3001999
NC1=NN(CC2=CC=C(F)C=C2)C=N1	3002234
CCC1=CC=CC2=C1NC(=O)C2=O	3002238
CC(=O)C1=C(C)OC(N)=C1C#N	3002241
COC(=O)C1=C(N=C=O)C=CS1	3002469
ClCC1=CSC(C2=CC=CC=C2)=N1	3002470
O=C1CCC(=O)N1CCCl	3002473
CC1=CC=CC(C2CCCCCN2)=C1	3002476
CN(C)S(=O)(=O)C1=CC=C(N)C=C1	3002477
CC1(C)COC(C2=CC=CC(N)=C2)OC1	3002478
COC1=CC=C(S(=O)(=O)Cl)C2=NON=C12	3002714
CC(C)(C)OC(=O)N1CCC(C#N)(N2CCCC2)CC1	3002719
FC(F)(F)C1=NNC(C2CC2)=C1	3002730
CN(C)S(=O)(=O)N1CCC(C2CCNCC2)CC1	3002005
NC1=CC=C(S(=O)(=O)N2CCNCC2)C=C1	3002011
O=C=NC1=CC2=C(C=C1)CCC2	3002248
NCC(O)COCC1=CC=CO1	3002249
CCOC(=O)C1=NC2=CC=CC=C2C(=O)N1	3002250
CCCC1=NOC(C(=O)O)=C1	3002261
CCN1N=C(C)C(CN2CCNCC2)=C1C	3002482
CC(C)(C)C1=CSC(N)=N1	3002483
CC(C)(CN)CN1CCOCC1	3002486
O=C(O)C1=C2CCCC2=NC2=C1C=CC=C2	3002487
NC1=NC(C2CC2)=CS1	3002489
CC1=CC(C)=NN1CC1=CC=C(C(=O)O)O1	3002740
NNC(=O)C1=CC2=C(CCCC2)S1	3002743
CC1=CC2=C(C=C1)OC([C@H]1CC[C@H](CN)CC1)=N2	3002744
CCCC1=NNC=C1C(=O)O	3002026
O=C(O)CN1N=C(C(F)(F)F)C2=C1CCCC2	3002032
ClCC1=CN2C=CC=NC2=N1	3002033
O=C(O)C1CC(=O)N(C2=CC=CC=C2)C1	3002034
CCCCN1CCNCC1	3002264
ClC1=CNN=C1	3002277
O=C1COC2=C(C=C(C(=O)O)C=C2)N1	3002492
O=C(O)C1CCN(C(=O)C2=CC=CC=C2)CC1	3002505
CCN1C=C(C(=O)O)C(=O)C2=CC=CC=C21	3002749
CC1=CC(C(=O)O)=CS1	3002756
CC1=NNC([N+](=O)[O-])=C1	3002042
CCC(C)C1=CC=C(N=C=O)C=C1	3002043
CN1C(=O)C2=CC=CC(N)=C2C(=O)N1C	3002048
CCCCCN1CCNCC1	3002053
CNC12CC3CC(CC(C3)C1)C2	3002290
CCC1=CC(N=C=O)=CC=C1	3002291
NC1=NN=C(C2CC2)S1	3002513
CC1=NNC(C)=C1[N+](=O)[O-]	3002515
CC1=CC(C(F)F)=NN1	3002518
CC1=NC2=C(C(=O)O)C=NN2C(C(F)F)=C1	3002787
C1CCCN(CCC2CCNCC2)CC1	3002788
CC1=NC2=CC(C)=NN2C(C(=O)O)=C1	3002792
NC1=NNC=C1	3002058
NNC(=O)C1=CC=C(N2C=NN=N2)C=C1	3002063
CC1=C(O)C(C(=O)NN)=CC=C1O	3002066
NS(=O)(=O)C1=CC=C(C=O)C=C1	3002297
O=C(O)C1=C(Cl)C2=C(C=C(F)C=C2)S1	3002299
CC(N)C1=C(Cl)C=C(Cl)C=C1	3002301
NNC(=O)C1=CC=C(Br)O1	3002302
CN(C)C1=CC=C(CN2CCNCC2)C=C1	3002309
NC1=CC(N2CC3=CC=CC=C3C2)=CC=C1	3002521
COC1=CC=C(NC(C)=O)C=C1N	3002523
CC1=CC=C(C2=CSC(N)=N2)C=C1	3002528
CC1CCN(S(=O)(=O)Cl)CC1	3002532
N#CC(C1CCCC1)N1CCCCCC1	3002533
NC1=CC=CC=C1OC(F)F	3002768
CC(C)(O)C#CC1=CC(C(=O)O)=CN=C1	3002769
CC(C)CCN1CC(C(=O)O)CC1=O	3002776
CCC(CC)CN1CCNCC1	3002076
CCOCC1=NN=C(N)S1	3002079
COC1=CC2=C(C=C1)NC(=O)C2=O	3002311
CC1=C(C)C2=C(C=C1)C(=O)C(=O)N2	3002312
O=C(O)CN1C(=O)C(=O)C2=C1C=CC=C2	3002315
NC1=NN(CC2=CC=CC(Cl)=C2)C=N1	3002316
CC1=CC=CC=C1CN1C=NC(N)=N1	3002319
O=C1CCC(=O)N1CCCCl	3002321
CCOCCN1C[C@@H](C(=O)O)[C@H](C(F)(F)F)C1	3002322
O=C(O)CS(=O)(=O)C1=CC=CC=C1	3002550
CC(C)(C)C1=CC=C(C(=O)O)O1	3002551
FC1=CC=C2NC(CC3CCCNC3)=NC2=C1	3002555
CC1=NN(CC2=CC=CC=C2F)C(C)=C1N	3001835
COC(=O)C1=C(Br)C=NN1	3001838
CN1C(=O)C(=O)C2=CC(F)=CC=C21	3001841
CSC1=NSC(N)=N1	3001842
C1=CC2=C(C=C1)C(CN1CCNCC1)=CC=C2	3001843
CC1=NN(CC2=CC=CC(F)=C2)C(C)=C1N	3001846
C1=CSC(C2CCNCC2)=C1	3002089
CN1C(=O)C=C(C=O)C2=CC=CC=C21	3002090
O=C1CCC2=CC(C(=O)CCl)=CC=C2N1	3002096
CNS(=O)(=O)C1=CC=C(N)C=C1	3002099
CC1CC(C(F)(F)F)N2N=CC(C(=O)O)=C2N1	3002103
CC(C)CC1=NN=C(N)S1	3002330
CC1CC(C(F)F)N2N=C(C(=O)O)N=C2N1	3002342
O=C(O)C1CCN(C(=O)C2=CC=CS2)CC1	3002343
CC(C)(C)CC1=NN=C(N)S1	3002561
CC(=O)C1=C(C)C(C(C)=O)=C(C)N1	3002562
CS(=O)(=O)N1CCC(C(=O)O)CC1	3002563
NCC1CCN(CC2=CC=C(F)C=C2)CC1	3002565
CC1=NC2=NC(N)=NN2C(C(F)(F)F)=C1	3002567
O=C(O)C(=O)N1CCCCCCC1	3002572
CC1=NNC(C(F)(F)F)=C1	3002576
CCC1=C(C)SC(N)=C1C(=O)N1CCOCC1	3002578
COC(=O)C1=CC=C(CO)O1	3001847
CC1=NNC(O)=C1C=O	3001850
CC1=NN(C)C=C1C1=CC(C(=O)O)=NO1	3001856
NNC1=NC2=CC=C(Cl)C=C2N1	3001859
CC(=O)C1=C(C)N2N=CC(C(=O)O)=C2N=C1	3002105
CCN1N=C(N)C([N+](=O)[O-])=C1C	3002111
O=C(O)C1=NN2C(=C1)N=C1CCCC1=C2C(F)(F)F	3002112
NC1=CC=CC(C/C=N/O)=N1	3002347
O=C1CCCCCC1CN1C=NC=N1	3002350
CC1=NC2=NC(C(=O)O)=NN2C(C(F)F)=C1	3002582
CCC1=CC=C(S(=O)(=O)N2CCNCC2)C=C1	3002584
CC1=C(C(=O)O)OC2=C1C=CC=C2	3002588
O=C1CCN(C2=NC3=CC=CC=C3O2)CC1	3002589
O=CC1=CC=C(C2=NOC=N2)C=C1	3001863
ClC1=CC=C(CC2=NN=NN2)C=C1	3001866
CCC(N)C1=CC=C(Cl)C=C1	3002119
CC(CO)N1CCOCC1	3002126
CCN1N=CC(Br)=C1C(=O)O	3002127
NC1CCC(C2=CC=CC=C2)CC1	3002131
CC1=NN(C)C(C)=C1C(=O)O	3002132
CC1=CC=C(N2CC(C(=O)O)CC2=O)C=C1	3002135
CC(C)(C)C(=O)N1CCC(C(=O)O)CC1	3002360
CC1=NN(C)C(C)=C1CN1CCNCC1	3002362
O=C1NC2=C(C=C(F)C=C2)C1=O	3002363
COC(=O)C1=CC=C(CCl)O1	3002364
CC(N)C1=CC2=C(C=C1)OCO2	3002365
CCOC1=CC=C(C(=O)O)C=N1	3002371
COC1=CC=C(CN2CCNCC2)C=C1	3002373
O=[N+]([O-])C1=CNN=C1	3002598
CC1=NC=CN1CC1=CC=C(N)C=C1	3002600
O=C(O)C1CCC2=NN=CN2C1	3002602
ClC1=CC2=C(C=C1)N=C(N1CCNCC1)O2	3002603
NCCN1CCC(CC2=CC=CC=C2)CC1	3001879
CC1=NC2=C(Cl)C(C(=O)O)=NN2C(C(F)(F)F)=C1	3002375
CC1=CC(C(=O)O)=NN1C	3002387
NC1=C(C(=O)N2CCOCC2)C=CS1	3002607
CC1=CC2=C(C(=O)NN)C=C(C)N=C2C=C1	3002611
ClC1=C(CN2CCNCC2)C=CC=C1	3002615
O=C(O)C1=CSC2=C1C=CC=C2	3001896
CC(=O)NC1=NNC(N)=N1	3001899
O=C(O)C1=C(I)C=NN1	3001905
NCC1=NOC(C(=O)N2CC[C@H](O)C2)=N1	3001908
CC(N)C1=CC(Cl)=CC=C1	3002152
CC(C)CC1=NOC(CO)=C1	3002159
CC1=CC(N2CC(C(=O)O)CC2=O)=CC=C1	3002165
FC1=CC(CCC2CCNCC2)=CC=C1	3002389
CC1=CN2N=C(C(=O)O)C=C2N=C1	3002394
CN1C=C(CN2CCNCC2)C=N1	3002398
C1=CC(CCN2CCCNCC2)=CC=N1	3002404
CC1=CC=C(C2=CC(CO)=NO2)C=C1	3002623
CC(N)C1=CC=NC=C1	3002627
CC1=CC=C(CN2CCNCC2)C=C1	3002628
O=S(=O)(C1=CC=C(F)C=C1)N1CCNCC1	3002630
O=C1CCCN1C1=CC=C(S(=O)(=O)Cl)C=C1	3002633
N#CC1=CC2=CC=CC=C2N=C1N	3001912
O=C1CCCCCC1CN1C=CN=C1	3001917
CC(C)CC1=CC(CCl)=NO1	3001928
N/C(CN1C=NC=N1)=N\O	3002169
O=[N+]([O-])C1=NNC(Br)=N1	3002170
O=C(O)C1=CC=C(CN2CCCCC2)O1	3002171
NC1=CC(C(F)(F)F)=CC=C1F	3002176
O[C@@H]1CCC[C@H]1N1CCCC1	3002407
CC(N)C1=CN=CC=C1	3002415
NC1=NC(C2=CC=C(Cl)C=C2)=CS1	3002420
CC1=NNC(C)=C1I	3002644
NNC(=O)C1=CC=C2OCOC2=C1	3002646
CCC1CCC2=C(C1)SC(N)=C2C#N	3002648
O=CC1=CNN=C1C1=CC=CS1	3001939
CC1=CC(Cl)=C(N=C=O)C=C1	3001940
CC1CCC2=C(C1)SC(N)=C2C(N)=O	3001942
O=C(O)C1=CC(C2=CC=CC=C2F)=NO1	3001945
C1=CSC(CCN2CCNCC2)=C1	3001948
O=S(=O)(C1=CC=C(Br)S1)N1CCNCC1	3001950
CCOC1=CC=CC(C(C)N)=C1	3002185
COC1=C(N=C=O)C=CC([N+](=O)[O-])=C1	3002187
COC1=CC=CC(C2CCNCC2)=C1	3002188
CC1=CC=C(C)C(S(=O)(=O)N2CCNCC2)=C1	3002190
CC1=CC=C(C(C)N)C=C1	3002653
CC1=CC=CC=C1N1CC(C(=O)O)CC1=O	3002656
O=C(O)CN1C(=O)C2=CC=CC=C2C1=O	3002657
O=C(O)C1=CSC(C2=NC=CN=C2)=N1	3002659
CS(=O)(=O)N1CCCC(C(=O)NN)C1	3001954
BrC1=CNN=C1	3001964
N#CC1=C(N)SC2=C1CCCCCC2	3002194
O=C1CCCC1CN1C=NC=N1	3002195
NNC(=O)C1=NOC(C2=CC=CO2)=C1	3002197
CC1=C(CN2CCCCCC2)C(C(=O)O)=NO1	3002202
CCN(CC)CC1=CC=C(C(=O)O)O1	3002207
CC(C)C1=NN=C2C=CC(C(=O)O)=CN21	3002437
CC1=CC(C)=NC2=NC(C(=O)NN)=NN12	3002447
CC1=NN(C2=CC=CC=C2)C(C)=C1C=O	3002663
CCC1=CC=C(CN2CCNCC2)S1	3002676
N#CC1=C2N=CC=CN2N=C1	3002678
NC1=C(C(=O)N2CCCCC2)C=CS1	3001972
NC1=CC=C2CCC(=O)NC2=C1	3001973
CC1=C(Cl)C=C2OC(C3CCNCC3)=NC2=C1	3001975
O=[N+]([O-])C1=CNC([N+](=O)[O-])=N1	3002209
CC1=C(CN2CCNCC2)C=NN1C	3002211
COC1=NOC(CCC(=O)O)=C1	3002213
CC(C)(C)C1=CC(C(F)(F)F)=NN1	3002217
O=C(O)C1CC(=O)N(C2CCCCC2)C1	3002218
CCCOC1=CC=CC(C(C)N)=C1	3002453
CC1=C(C)C(C(=O)O)=CS1	3002457
O=CC1=CC(C2=NOC=N2)=CC=C1	3002461
N#CCC1=NN=C(C2=CC=CC=C2)N1	3002463
CC1=CC=C(N)C(N)=C1C	3002687
FC1=CC=C(C2CCCNC2)C=C1	3002688
CC1=CC(C(F)F)=NC2=C1C(N)=NN2	3002694
CC1=CC=C2N=C(C3CC3)C=C(C(=O)O)C2=C1	3002697
CC1=CC(C)=NC2=NC(N)=NN12	3002698
NC(=O)NC(=O)C1=C(N)SC=C1	3001982
CO[C@@H]1CN(CCC(C)C)C[C@H]1C(=O)O	3001986
O=C(O)CN1N=C(C(F)(F)F)C2=C1CCCCC2	3001993
O=C(C1=CC=C(F)C=C1)N1CCC(C2CCNCC2)CC1	3002220
CCC(CC)N1CC(C(=O)O)CC1=O	3002221
CC1=NC(C2=CC=C(C=O)C=C2)=NO1	3002233
O=C1C=CC(C(=O)N2CCC(C(=O)O)CC2)=CN1	3020124
O=C(O)/C=C/C1=CC=CN=C1	3020214
O=C1CC(=O)CC(C2=CC=CO2)C1	3020218
CN(C)[C@@H]1CCC[C@H]1O	3002985
CCOC(=O)CC(C)NC	3005120
NNC(=O)CCC1=CC=CC=C1O	3005121
O=C(O)CCCC1=NC2=C(C=CC=C2)C(=O)N1	3005319
NC1=NC(C2=CC=CC3=C2C=CC=C3)=CS1	3005320
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCNCC2)C=C1	3005322
O=C(O)C1=CC=C(COCC(F)(F)F)O1	3005324
O=C(O)C1=C2N=CC(Br)=CN2N=C1	3005328
CC(C)C(N)CC(=O)O	3020223
CC(CN1CCCCC1)C(=O)NN	3020229
ClC1=CC=C2OC(Cl)=NC2=C1	3003003
NCC1CC2CCC1O2	3003005
CN1C=C(S(=O)(=O)N2CCC(C(=O)O)CC2)C=N1	3005122
CCN1C=C(/C=C/C(=O)O)C=N1	3005129
NC1=C(C(=O)O)C=NN1CCC1=CC=CC=C1	3005331
COC1=CC=C(C2=NN=C(N)S2)C=C1	3005333
ClC1=CC=CC(Cl)=C1CN1CCNCC1	3005334
NC1=NC(C2=CC=C3C=CC=CC3=C2)=CS1	3005336
CC(CN1CCOCC1)C(=O)NN	3020232
O=C1N=C(C2=CC=CS2)C=C(C(F)(F)F)N1	3020237
COCC1=CC(=O)NC(SC)=N1	3020239
CSC1=NC2=C(CNCC2)C(=O)N1	3020240
O=C1NC2=C(Cl)C=CC=C2C1=O	3020242
CC1=CC(C)=NN1CCC(=O)NN	3020243
COC1=CC=C(C2=CSC(N)=N2)C=C1	3003007
CC1CCC2=C(C1)SC(N)=C2C(=O)N1CCOCC1	3003018
O=C=NC1=CC=C2OCOC2=C1	3003019
C1=CC=C(COC2=CC=C(N3CCNCC3)C=C2)C=C1	3005339
N#CC1=C(N)SC2=C1CCCCCCCCCC2	3005348
CC1=NC([N+](=O)[O-])=C(Br)N1	3020244
O=C(O)C1=NNC=C1[N+](=O)[O-]	3020253
COC(=O)C1=CC=C(N=C=O)C=C1	3003024
CCN1N=C(C2CC2)C=C1C(=O)O	3003029
ClC1=CC=C(CN2CCNCC2)C=C1	3003031
CC1=CC=C(C2CC2C(=O)NN)C=C1	3005145
CC1(C)OC(C2=CC=CC(N)=C2)OC1(C)C	3005151
CC1=NN(CC(=O)O)C=C1[N+](=O)[O-]	3005153
CC1=CC=C(S(=O)(=O)N2C=CC(C(=O)O)=C2)C=C1	3005356
O=C(O)C1=CN2CCCC3=C2C(=CC=C3)C1=O	3005361
CC1CCCN(S(=O)(=O)C2=CC=C(N)C=C2)C1	3005362
COC1=CC=CC=C1N=C=O	3020271
O=S(=O)(Cl)C1=CC(F)=C(F)C=C1	3003036
NC1=CC=C(S(=O)(=O)N2CCCC2)C=C1	3003047
N#CC1=C(N)SC2=C1CCCCC2	3003050
NC1=C(C(=O)N2CCOCC2)C2=C(CCCC2)S1	3003054
CC1=CC=CC(C)=C1N1CC(C(=O)O)CC1=O	3005158
CCN1C=C(NC(=O)CCl)C(C)=N1	3005160
CC(C)C1=NC=CN1CC1=CC=C(N)C=C1	3005163
CC1=NC([N+](=O)[O-])=CN1CC(=O)O	3005166
O=C(O)C1=NN2C(=C1Cl)NC(C1=CC=CC=C1)CC2C(F)(F)F	3005365
ClC1=CC=C(CN2CCNCC2)C(Cl)=C1	3005369
CNC(C)CCC1=CC=CO1	3020258
O=S(=O)(Cl)C1=CC=C(Br)S1	3020259
OC12CC3CC(CC(C3)C1)C2	3020261
O=C=NC1=CC=CC=C1Br	3020265
CC1=NN(C)C=C1C1=NOC(C(=O)O)=C1	3003061
CC1CCC2=C(C1)SC(N)=C2C#N	3003066
COC(=O)CCN1C=C(Br)C=N1	3003068
COC1=CC=CC=C1C1=CC(C(=O)O)=NO1	3005171
O=C=NC1=CC=C(/N=N/C2=CC=CC=C2)C=C1	3005172
O=C(O)C1[C@@H]2C=C[C@H](C2)[C@H]1C(=O)O	3005178
CCN1C=C(C2=NOC(C(=O)O)=C2)C(C)=N1	3005180
CCN1N=CC(C2=NOC(C(=O)O)=C2)=C1C	3005379
NC1=CC=C(NC(=O)C2CC2)C=C1	3005382
COC1=CC=C(C2=NOC(C(=O)O)=C2)C=C1	3005388
O=C(O)C1=CC2=C(S1)C1=CC=CC=C1CC2	3005391
CC1=CC2=C(NC(=O)C2=O)C(C)=C1	3002803
NNC(=O)C1=NC=CN=C1	3002804
CN1C=NN=C1C1=CC=CC(N)=C1	3002806
O=C(O)C1CC(=O)N(CC2=CC=CO2)C1	3002808
ClCC1=NOC=N1	3003095
ClC1=C(Cl)C=C(CN2CCNCC2)C=C1	3005182
NC1=CC=C(S(=O)(=O)N2CCCC3=C2C=CC=C3)C=C1	3005184
CCC1CCC2=C(C1)SC(N)=C2C(=O)N1CCOCC1	3005188
NC1=NC(C2=CC=CC(Br)=C2)=CS1	3005189
N#CC1=C(NC(=O)CCl)SC=C1	3005190
NC1=CC(NC(=O)C2CC2)=CC=C1	3005192
CC1=CC=CC=C1CN1N=C(C)C(N)=C1C	3005398
O=[N+]([O-])C1=CC=C(S(=O)(=O)N2CCNCC2)C=C1	3005399
CC1=CC=C(CN2N=C(C)C(N)=C2C)C=C1	3005401
CC(C)(C)OC(=O)N1C(=O)C[C@H](O)[C@@H]1CC1=CC=CC=C1	3005402
CN1C(=O)N(C2=CC(N)=CC=C2)C(=O)N1C	3002811
CCC1=NC(C(=O)O)=CO1	3002816
O=C(O)C1CC(=O)N(C2=CC=CC=C2F)C1	3002821
CC1=CC(C)=NC2=C(Br)C(C(=O)O)=NN12	3002823
CCC(=O)NC1=CC=CC(N)=C1	3003097
COC1=CC=C(N=C=O)C=C1F	3003103
CC1=C(C2=NOC(C(=O)O)=C2)C=NN1C	3003106
NC1=C(C(=O)N2CCCCC2)C2=C(CCCC2)S1	3003108
CC1CCCCN1S(=O)(=O)C1=CC=C(N)C=C1	3005194
CC1(C(=O)O)CC(C2=CC=C(F)C=C2)=NO1	3005200
O=C(O)C1CCN(C(=O)C2=CC(F)=CC=C2)CC1	3005202
O=C(CCl)NC1CCCC1	3005203
CC1=CC=C(C2=CSC(N)=N2)C(C)=C1	3005204
O=C1C(=O)N(CC2=CC=CC=C2F)C2=C1C=CC=C2	3005205
CCOC(=O)C1=C(C)N=C(N)S1	3005403
O=C(CCl)NC1=CC=CC=C1C(F)(F)F	3005416
O=C(O)C1CC(C2=CC=CC=C2Cl)=NO1	3005417
C1CN[C@H](CN2CCCC2)C1	3002833
O=[N+]([O-])C1=CNN=C1[N+](=O)[O-]	3002837
CC1=NN(C)C=C1S(=O)(=O)N1CCC(C(=O)O)CC1	3005006
CN1CCN(S(=O)(=O)C2=CC=C(N)C=C2)CC1	3005009
CCOC1=CC=C(C(O)C2CCNCC2)C=C1	3005014
NNC(=O)C1=CC=CC=C1N1C=CC=C1	3005211
NC1=CC(CCC2=CC=CC=N2)=CC=C1	3005215
CC1=NN(C2=CC=C(F)C=C2)C(C)=C1CO	3005217
CC1=NC(C2=CC(C(=O)O)=CC=C2)=NO1	3005421
CC1(C(=O)O)CC(C2=CC=CC=C2F)=NO1	3005433
CC1=CC=C(CN2CCNCC2)O1	3002851
O=C(O)C1=COC(C2CC2)=N1	3002855
NC1=NN(CC2=CC(F)=CC=C2)C=C1	3002866
N#CCCN1C=C(Br)C=N1	3002869
NCC1CCN(CCCC2=CC=CC=C2)CC1	3005019
O=C(O)C1CCN(C2=NC3=NC=CC=C3O2)CC1	3005024
COC1=CC=C(C2=CC(CO)=NO2)C=C1	3005218
O=C(O)C1CC(=O)N(CC2=CC=CC(F)=C2)C1	3005219
O=C(O)C1CC(=O)N(CC2=CC=CC=C2)C1	3005223
CCN1N=CC(C2=NOC(C(=O)O)C2)=C1C	3005225
CCOC(=O)C1=C(N)SC=C1	3005228
CC1=NN(C)C=C1/C=C/C(=O)O	3005229
CC1CC2=CC=CC=C2N1S(=O)(=O)C1=CC=C(N)C=C1	3005442
O=C(O)C1=CC=CN2C(C3=CC=CC=C3)=NN=C12	3005443
NC1=NN=C(C2CC(=O)N(C3=CC=CC=C3)C2)S1	3005444
CC(C)OC(=O)C1=C(N)SC=C1	3005445
CC1=CC(N)=NN1CC1=C(F)C=CC=C1	3002870
CC1CCC(N)CC1	3002871
CC(N)C1=CC=CC2=C1C=CC=C2	3002878
NS(=O)(=O)C1=CC=C2OC(N3CCNCC3)=NC2=C1	3002882
CC(C)(C)OC(=O)N1C[C@@H](CO)[C@H](C2=CC=C(Cl)C=C2)C1	3005032
NS(=O)(=O)C1=CC=C2OC(CCl)=NC2=C1	3005034
[H]C(=O)C1=C(C)N(C2=CC(C)=CC=C2)N=C1C	3005035
O=C(O)C1CC(=O)N(CCC2=CC=CC=C2)C1	3005232
O=C(O)C1=C2N=CC=C(C3=CC=CS3)N2N=C1	3005233
NNC(=O)C1=CC2=C(CCCCC2)S1	3005237
O=C(O)C1CC(=O)N(CC2=CC=C(F)C=C2)C1	3005242
NC1=C2C(=O)NNC(=O)C2=CC=C1	3020006
C=CCN1N=C(C)C(Br)=C1C	3020025
Cl.NC1=C2N=C(C(=O)O)C=CC2=CC=C1.O	4108970
CCN1N=C(N2CC(C(=O)O)CC2=O)C=C1C	3005040
CC1=CC=C(C2=NC(C)=C(C(=O)O)C=N2)C=C1	3005042
FC1=CC=C(CN2CCNCC2)C(Cl)=C1	3005043
NC1=NC(C2=CC=C(Br)C=C2)=CS1	3005044
O=C(O)C1=CC=CC=C1C1=NNC(=S)N1	3005045
CC1=NN=NN1C1=CC=C(C(=O)O)C=C1	3005046
O=C(O)CC1NC(=O)N(C2CCCCC2)C1=O	3005047
COC1=CC=CC=C1C1=NOC(C(=O)O)C1	3005049
COC(=O)C1=C(N)SC2=C1CCC2	3005258
CCCS(=O)(=O)N1CCC(=O)CC1	3020032
CC1=C(C(=O)O)SC=C1	3020058
N#CC1=CNC2=CC=CC=C12	3020059
NC1=NC(Cl)=C2N=CNC2=N1	3020060
N#CC1=CC=C(OC(F)(F)F)C=C1	3020062
O=C(O)C1=CC2=CC(Cl)=CC=C2N1	3020063
CC1=NC(N2CCNCC2)=CC(C(F)(F)F)=N1	3002902
CC1NC(=O)N(C2=CC(N)=CC=C2)C1=O	3002906
O=C(O)C1CC(=O)N(CC2=C(F)C=CC=C2)C1	3005054
C[C@@H]1CN(C)CC[C@H]1N	4108966
O=C(O)C1=NN2C=C(CCO)C=NC2=C1Cl	3005060
CC1CCN(S(=O)(=O)C2=CC=C(N)C=C2)CC1	3005261
COC(=O)C1=CC(Cl)=NC2=CC=CC=C21	3005263
CC1CCC2=C(C1)SC(C(=O)NN)=C2	3005272
NC1=CC=C(C(=O)NC2CC2)C=C1	3005275
O=C(O)C1=CC=C2C=CNC2=C1	3020064
ClC1=CN=CC=N1	3020065
NCCC1=NC=CC=C1	3020070
NCCC1=CC=CS1	3020071
NC1=NC=C([N+](=O)[O-])C=N1	3020074
O=CC1=C2C=CNC2=CC=C1	3020076
CN1C(=O)C(CC(=O)O)C2=CC(F)=CC=C21	3002918
O=C(O)C1=NN2C(=C1)N=C(C1CC1)C=C2C(F)(F)F	3002919
O=C1CCCCC1CN1C=NC=N1	3002926
CN1N=CC([N+](=O)[O-])=C1C(=O)O	3002927
CCC1=CC=C(C(=O)NN)S1	3002929
FC(F)(F)C1=CC=CC(C2=NC(CCl)=CS2)=C1	3005061
O=C(O)C1=C2CCCCC2=NC2=C1C=CC=C2	3005065
CCOC(=O)C1CCCN(CC#N)C1	3005069
CCN1N=CC(C2=CC(C(=O)O)=NO2)=C1C	3005285
CC(=O)C1=NC=CN=C1	3020083
ClC1=CC=CC2=C1C=CN2	3020086
ClC1=CC2=C(C=CN2)C=C1	3020088
CCOC(=O)C1=C(N)C=NN1	3002943
COC1=CC(C2=CC(C(=O)O)=NO2)=CC=C1	3005077
COC1=C2OCC(=O)NC2=CC(C(=O)O)=C1	3005081
FC1=CC=C(C2=NC(CCl)=CS2)C=C1	3005082
NC1=CC=C(S(=O)(=O)N2CCC3=C2C=CC=C3)C=C1	3005085
CC(C)(O)C#CC1=CC=C(C(=O)O)S1	3005290
O=C(O)C1=CC([N+](=O)[O-])=NN1	3005294
NC1=C(C(=O)NC2CC2)C=CS1	3005299
NC1=CC=C(S(=O)(=O)N2CCCCCC2)C=C1	3005302
NC1=NN=C(Cl)C=C1	3020090
CCOC(=O)C1=CNN=C1N	3020091
O=C(O)C1=C2C=CNC2=CC=C1	3020092
NC1=NC=C(Br)C=N1	3020096
NC1=CC(C2=CC=CC=C2)=NO1	3020101
ClC1=CC2=C(C=C1)NC=C2	3020104
CS(=O)(=O)N1CCC2=CC(C(=O)O)=CC=C21	3002949
CCOC(=O)C1=NNC=C1	3002952
NC1=NC(C23CC4CC(CC(C4)C2)C3)=CS1	3005101
COC1=CC=C(C2=CC(C(=O)O)=NO2)C=C1	3005311
CCOC(=O)C1=C(N)SN=C1C	3005315
CC1=C(CC(=O)O)C(C2=CC=CC=C2)=NN1	3005318
CN1C=CC=C1C(=O)O	3020106
O=C(O)C1CCN(S(=O)(=O)N2CCOCC2)CC1	3020112
CC1CCN(S(=O)(=O)N2CCC(C(=O)O)CC2)CC1	3020113
O=C1NC2=CC=CC(Br)=C2C1=O	3020398
CN1CCC2=C(C1)C1=C(C=CC(F)=C1)N2	3020399
CC1CCN(C2=CC=C(CN)C=C2)CC1	3020400
CC(C)(C)OC(=O)N1CC2C(C1)C2C(=O)O	4036756
CC1=C(C)C([N+](=O)[O-])=CN=C1	4036766
CCN1C=CC=N1	3020409
NNC(=O)C1=CC=C(C(F)(F)F)C=C1	3020411
NNC(=O)C1=CC=C2N=CC=CC2=C1	3020412
O=S1(=O)CCCC(CO)C1	4039128
ClC1=NC=NC(C2CC2)=C1	4039198
CC1=C(CN2CCC(C)CC2)C(C(=O)O)=NO1	3020419
CC1=NN(C)C=C1	3020421
O=C(O)C1=CC([N+](=O)[O-])=CN=C1O	3020422
NCCCN1CCCC1	3020430
CCC(Br)C(=O)N1CCCCCC1	3020435
NCCN1CCCCC1	3020436
CNC1=CC(Cl)=CC=C1	3020438
CCC(Br)C(=O)N1CCCC(C)C1	3020440
CC(C)NCCCN	3020450
CC1=NC2=C(C(N3CCN(C)CC3)=N1)C(C)=C(C(=O)O)S2	3020469
O=CC1=CC=CN2N=CC=C12	4036816
CC1=C(C(=O)O)C=C(C#N)C(=O)N1	4039710
COC1=CC=C2NC(C(=O)O)=CC2=C1	3020286
N#CC1=C(N)ON=C1C1=CC=CO1	3020478
CC1=CC=C2NC3=C(CN(C)CC3)C2=C1	3020300
CC1=C(C=O)C2=C(C=CC=C2)N1	3020304
COC1=CC2=C(C=C1)NC=C2C=O	3020307
CC1=NNC=C1C1=CC=C2OCOC2=C1	3020308
NC1=NOC2=CC=CC=C21	3020311
CCC1=NC=CC(C(=O)O)=C1	4036495
COC1=CC2=C(C=C1)NC=C2	3020313
CC1=CC2=C(C=C1)NC(=O)C2=O	3020317
CNCCCC1=C(C)N(C)N=C1C	3020323
ClC1=NSN=C1N1CCCCC1	3020328
ClC1=NSN=C1N1CCOCC1	3020329
CC(C)C1=NC(C=O)=CO1	4037305
CC1=CN(CC2=C(C)ON=C2C(=O)O)N=C1	3020338
CC1=CC(C)=NN1CC1=C(C)ON=C1C(=O)O	3020340
CC(C)(C)OC(=O)N1CCC(CC(=O)O)CC1	3020341
CN(CCO)C1=NSN=C1Cl	3020342
O=CC1=CN2N=CC=C2C=C1	4036698
O=C(O)C1CCCS(=O)(=O)C1	4037501
Cl.NCC1CCCS(=O)(=O)C1	4037550
O=S1(=O)CCCC(CBr)C1	4037553
O=S(=O)(Cl)C1=CC(C(F)(F)F)=CC=C1	3020345
CC(C)NC(=O)CN1CCNCC1	3020347
O=CC1=NC=C2NC=CC2=C1	4036705
O=C(O)CC1CN(CC2=CC=CC=C2)CCO1	4036711
COCC1=NC(N)=NO1	4039775
O=C(CN1CCNCC1)N1CCCC1	3020354
ClC1=NSN=C1N1CCCCCC1	3020355
CNCC(=O)N1CCCC1	3020358
O=C(CN1CCNCC1)N1CCOCC1	3020362
O=C1NN=C(Br)C(=O)N1	3020363
CC1=CNC(C=O)=C1	4036719
O=C(O)CC1CCS(=O)(=O)CC1	4038001
CCOC(=O)C1=C(N)NN=C1	3020364
CN(C)C(=O)CN1CCNCC1	3020366
CC(C)CNC(=O)CN1CCNCC1	3020367
CCN(CC)C(=O)CNC	3020369
N#CC1=C(N)SC=C1	3020370
CCCN1N=C(C)C=C1CNC	3020372
CC1=NC(C=O)=CO1	4038328
O=C(CN1CCNCC1)N1CCCCCC1	3020376
CCN1CCC(OCCCN)CC1	3020379
CCN1N=C(C)C=C1C	3020385
CN1N=C(C(=O)O)C2=C1CCC(=O)C2	4036735
CC1=NC(CCl)=CO1	4038462
CC1=C(C)C(Cl)=NC=N1	4038510
CNC1=NC=C(Br)S1	4039821
C1=CN=C(N2CCNCC2)C=C1	3020388
CCC(=O)C1=CC=CS1	3020389
CC1=NOC(C)=C1CCl	3020391
CCC1=NN=C2SC(N)=NN12	3020395
CC(C)C1=NN=C2SC(N)=NN21	3020396
NC1=NC2=C(CNCC2)S1	4040087
CC(C)C1=CC=NN1	4040291
OCC1=NC(Br)=NN1	4040469
CC(C)C1=NC=C(Br)S1	4040489
OC1=NN=C(CC(F)(F)F)O1	4040110
CC(C)(C)C1=NC(Br)=NO1	4039940
CC1=CC(Cl)=NC(C)=C1C	4040134
OCCC1=CC=CO1	4039978
CC1=C(S(=O)(=O)Cl)C=C2NC(=O)NC2=C1	4039987
COC1CCN(S(=O)(=O)Cl)CC1	4040554
C1CNCC(CN2CCOCC2)OC1	4040191
C1=CNC(C2CCCC2)=N1	4040390
OC1=C2ON=CC2=CC=C1	4041159
CN1N=C(C(F)(F)F)C(Cl)=C1C(=O)O	4041353
CN(C)C1=NC(N)=NN1C	4041363
COC1=C(C(=O)O)SC(C)=C1	4041180
COC(=O)C(=O)C(F)F	4041032
O=S(=O)(Cl)CC1COCCO1	4040858
CN(CC(=O)O)CC1=CC=CC=C1	4040865
O=C(O)C1CCCN1C1CCNCC1	4041053
CC1=NN=C2C(N)=CC=CN12	4041114
CC1CNCCCO1	4041125
CCCC1=NC=CC(C(=O)O)=C1	4041134
O=C(O)C1=C2CCCCN2N=C1	4038077
CN1[C@H]2CC[C@@H]1CNC2.Cl.Cl	4038155
CC(C)(C)OC(=O)N1CCOCC(CN)C1	4038338
O=C1CCCNC1=O	4038506
NCCCC1=NN=C2C=CC=CN21	4041558
OB(O)C1=CC=CC2=CC=NN21	4038586
CN1CCC2(CCCNC2)C1	4038747
NCC1=C2C=CC=CN2N=C1	4038881
COC(=O)[C@@H]1C[C@H](N(C)C)CN1	4039634
CC(C)(C)OC(=O)N1CCC2(CCCNCC2)CC1	4036476
CN1N=NC2=C1N=CC(C(=O)O)=C2	4036491
CN1C[C@@H](N)C[C@H]1CO.Cl.Cl	4036530
CN1C[C@H](NC(=O)OC(C)(C)C)C[C@H]1C(=O)O.Cl	4036532
CN1C[C@@H](N)C[C@H]1C(=O)O	4036533
C1=CN(CC2CNCCCO2)N=C1	4041453
CN1C[C@H](N)C[C@H]1C(=O)O.Cl.Cl	4036534
CC(C)(C)OC(=O)N1C[C@H](N)C[C@H]1C(=O)O	4036538
CN1CC(=O)N2C[C@@H](N)C[C@H]2C1=O	4036547
CN1CCN2C[C@H](N)C[C@H]2C1.Cl.Cl.Cl	4036550
O=C1NCC(=O)N2CCNCC12	4036600
CN1CCN2CCNCC2C1	4036602
CC(C)(C)CCCN	4041483
Cl.OC[C@H]1CNC[C@H](CO)C1	4042500
CC1=NOC(C)=C1C1=CC=C(S(=O)(=O)Cl)C=C1	4042653
O=C(O)CC1=CCCC1	4042684
Cl.O=C(O)[C@@H]1[C@@H]2CC[C@H]1CN2	4042145
CN1C=CN2N=CC(Br)=C12	4042167
NC1(CO)CCCCCC1	4042715
COC(=O)[C@@]1(C)CCCN1.Cl	4042235
Cl.NCC1=NN=CO1	4042037
CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](C=O)[C@@H]2C1	4042366
CC1(C(=O)O)OCCO1	4043288
O=C(O)C1=NC2=C(N=CC=C2)N1	4042970
CC(C)N1CC(O)C1	4043143
CC1=NN(C)C(C(=O)O)=C1C	4042991
C1=CN(C[C@@H]2CCCN2)C=N1	4043191
CCC1=CC=C(C(=O)O)N1	4043364
CCC1=CC=NC(O)=N1	4043209
FC1=CC2=C(C=C1)NC(Cl)=N2	4043380
CCC#CB1OC(C)(C)C(C)(C)O1	4043381
CC1=NOC(C2=CC=C(S(=O)(=O)Cl)S2)=C1C	4042882
O=C1CC(C(=O)O)NC2=CC=CC=C12	4042891
CC1(CN)CCCC1	4042897
CC1=C(C(=O)O)N=CS1	4043076
CC1=NN(C)C(CCl)=N1	4042923
Cl.O[C@@H]1CNC[C@H](O)C1	4038049
CC(C)(C)OC(=O)N[C@@H]1CNC[C@@H](O)C1	4037068
C1=CC[C@H]2CNC[C@H]2C1.Cl	4037097
CN1C(=O)CC2=CC(B3OC(C)(C)C(C)(C)O3)=CN=C21	4038124
C[C@@H]1CNCCO1	4037141
C1C[C@H]2O[C@@H]1[C@@H]1CNC[C@@H]12	4037164
OC[C@H]1COCCN1	4037199
CCC1=CC=CN=C1Cl	4037222
NC1=CC=CC(CS(N)(=O)=O)=C1	4043852
CC(C)(C)OC(=O)N1CCCC2(CCCNC2)C1	4043857
C[C@H]1[C@@H](C)NCCN1C(=O)OC(C)(C)C	4036450
C[C@@H]1NCCN(C(=O)OC(C)(C)C)[C@H]1C	4036453
Cl.O[C@@H]1CNC[C@@H](O)C1	4037492
N#CCC1=NC(C(F)(F)F)=NO1	4043533
ClCC1=CC=C2C=CNC2=N1	4037525
O=C1CCC2=CC=CC=C2CN1	4036517
CN1C(S(=O)(=O)Cl)=CN=C1C1=CC=CC=C1	4037619
CN1C=CC=C1CCC(=O)O	4043736
O=C1CCOC2(CCOCC2)C1	4037723
CC1=NOC2=C1C(Cl)=NC=N2	4043747
OC[C@@H]1COCCN1	4037816
CC1COCCN1	4037925
OCC1=NC=NO1	4043622
Cl.O=C1CN[C@H](C(=O)O)CN1	4043934
O=CC1=NN2C=CN=C2C=C1	4042292
CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@H](N)C1.Cl	4039158
CC[C@H]1COCCN1	4039169
CC(C)(C)OC(=O)N1CC(N)(C(=O)O)C1	4039179
C1C[C@@H]2C[C@H]1[C@H]1CNC[C@@H]21.Cl	4039222
O=C1CCC2(CCCO2)CCN1	4042392
C1CNCCC2(C1)CCCO2	4042399
CC[C@@H]1COCCN1.Cl	4039428
O=S1(=O)COCCN1	4039479
CC(C)(C)OC(=O)N1C[C@H](N)C[C@@H](O)C1.Cl	4038626
CC(C)(C)OC(=O)N1C[C@@H](F)C[C@H]1CN	4039509
CC(C)(C)OC(=O)N1CC2(CNC2)C1	4038711
O=S(=O)(Cl)C1=CC=CN=C1C(F)(F)F	4038741
BrC1=CN=C2C=CC=NN12	4042147
CC1=NN2C=C(N)C=CC2=N1	4043919
CC1(C)OC(C)(C)C2=C1N=CN2	4044801
COC(=O)C1=C(C)NC=N1	4044514
CN1C[C@@]23C=C[C@@H](O2)[C@@H](C(=O)O)[C@H]3C1=O	4044709
CN1CC(C(=O)O)OC2=CC=CC=C21	4044380
CC1=CC(Cl)=NC(C)=C1C(=O)O	4044225
COC(=O)[C@@H]1CNC(=O)CN1.Cl	4044575
ClC1=CC2=C(C=N1)CCCC2	4044604
CN1C=C(C(=O)O)C(=O)NC1=O	4044614
CC1=NN(C)C(S(=O)(=O)Cl)=C1	4045500
CC(C)(C)OC(=O)NC1COC2(CCNCC2)C1	4045501
CC1(C2=CC=CC=C2)CCNC1	4044974
C#CC1=CC=CO1	4045318
CN(C)[C@H]1[C@H]2CC[C@@H]1CNC2	4045524
CCCN1N=CC=C1S(=O)(=O)Cl	4045329
O=C1N[C@H]2CS(=O)(=O)C[C@@H]2N1	4045330
CCN1N=CC=C1S(=O)(=O)Cl	4045535
CC1=C(C(=O)O)SC(C(F)(F)F)=N1	4044993
CC1=CC(S(=O)(=O)Cl)=C2N=CC=CC2=C1	4045339
CC1=NC2=C(C=CS2)C(Cl)=N1	4045164
CC1=CC(=O)C(O)=CO1	4045348
CC(C(=O)O)N1CCC1	4045545
N[C@H]1CS(=O)(=O)C[C@H]1O	4045378
CC(C)C1=NN=C(Cl)C=C1	4045063
COC(=O)C1=C(N)C=NN1C	4045213
CC(C)N1N=CC=C1S(=O)(=O)Cl	4045225
CC1=C(Br)C=C(C#N)N1	4045235
CCN1N=C(C)C=C1S(=O)(=O)Cl	4045430
CC(C)(C)OC(=O)N1CC(=O)NC[C@H]1C(=O)O	4044944
CC1CCC(C)(C)N1	4045271
O[C@H]1[C@H]2CC[C@@H]1CNC2	4045292
CC1=C(S(=O)(=O)Cl)N(C)N=C1	4045494
CC1(C)CC(O)CCN1.Cl	4039171
CC1=NON=C1CBr	4045731
COC(=O)C(=O)C(C)C	4045773
CC(N)C1=CC=CC(Br)=C1	4045598
CC1CNC(=O)CN1	4045852
CN1C(=O)CCNC1=O	4045611
C1=CC=C2NC(C3CNC3)=NC2=C1	4045617
CNC(C)C1=NOC=C1	2102256
CNC(C)C1=NC=CS1	2102324
O=C1CC[C@@H](CCO)N1	4046046
C1=CN2N=C(N3CCNCC3)C=CC2=N1	4045661
O=CC1=CC=CC2=NC=NN12	4037608
N[C@H]1CC[C@H](O)[C@@H]1O	4046069
CN1C=NC2=C(C(=O)O)C=CN=C21	4038313
O=C(O)[C@H]1C[C@@H](O)C1	4045921
Cl.NCC1(O)CCC(F)(F)CC1	4038502
N#CC[C@@H]1CCC(=O)N1	4046620
COC(=O)[C@H]1CNCC[C@@H]1O	4046401
CC1=C(Br)NN=N1	4046416
N[C@@H]1CCCCC[C@@H]1O	4046958
COC1=C(B(O)O)C=CN=C1Cl	4047030
C1=CC=C(CC2CCNC2)N=C1.Cl.Cl	4047363
NC(=O)[C@@H]1CCCC[C@H]1N	4047092
OB(O)C1=CC=C(C(F)F)C=C1	4048086
BrC1=CC=NS1	4047938
CO[C@H]1C[C@@H](N)C1.Cl	4048109
N[C@H]1CC[C@@H](O)[C@@H]1O	4047633
O=C(O)C1=CC=NN1CCO	4047989
C1CNCC2(C1)CCCOC2.Cl	4047498
O=C1CNCC(CC2=CC=CC=C2)N1	4047913
O=C(O)C1NCCC2=C1N=CN2	4048739
CO[C@H]1CC[C@@H](N)CC1	4048378
O=C1CC(C2CC2)CN1	4048224
NC1=CN=CC2=C1N=CN2	4048232
CC(C)(C)OC(=O)N1CCOC2(CCNCC2)C1	4048415
Cl.Cl.OCC1=NN2CCCNCC2=C1	4049289
CC(C)(N)C1CC1	4049152
CC1CNCC(=O)N1	4049339
CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](CN)C1.Cl	4049223
Cl.OC[C@@H]1CNC[C@@H]1CO	4049417
O=C1CNC(C(=O)O)CN1	4049792
CO[C@H]1COCC[C@H]1N.Cl	4049809
CC1=NC(Cl)=C(Cl)C(O)=N1	4049516
CC(C)(C)OC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2.Cl	4036919
CN1CCC(=O)CC12CCOCC2	4036972
CN(C)C1=NOC(C(=O)O)=C1	4037321
NC1=CC=NC2=C1N=CN2	4050825
Cl.O=C(O)C1=CC2=C(C=N1)OCCO2	4037001
C[C@@H]1NCCN[C@H]1C.Cl.Cl	4036451
[H][C@@]12C=C[C@@]([H])(C1)[C@@H](NC(=O)OC(C)(C)C)[C@H]2C(=O)O	4050879
CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2CNCC[C@@H]2C1.Cl	4038172
CC1=NC2=C(C(=O)O)C=CN=C2N1C	4038186
CC(C)(C)OC(=O)N1CCC(C2=CC(C(=O)O)=NC=C2)CC1	4037614
COC(=O)[C@@H]1NCCO[C@H]1C.Cl	4037949
OB(O)C1=CC=C(C2CC2)C=C1	4038021
O=C(O)C1=CC(N2CCCC2)=NO1	4038028
CC(C)(C)OC(=O)N1C[C@@H](N)C[C@@H](O)C1	4037420
O[C@H]1CNC[C@H](O)C1	4038058
CC(C)(C)OC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2.Cl	4038327
CC(C)(C)OC(=O)N1CC[C@@H]2CC(=O)CC[C@@H]2C1	4038069
OCC1=CC=C2CCNC2=N1	4038071
CC(C)(C)OC(=O)N1[C@H](C2=CC=CC=C2)CC[C@@H]1C(=O)O	4037473
NCC1=CC=CC2=NC=NN12	4038111
Cl.OC[C@@]12CC[C@@H](CNC1)[C@H]2O	4042157
CC(C)(C)OC(=O)N[C@@H]1C[C@H]2CCNC[C@H]21.Cl	4042165
CC(C)(C)OC(=O)N[C@@H]1CNC[C@H](O)C1	4039416
C1C[C@H]2CN[C@H]2C1	4042340
OCC1=CC2=NC=NN2C=C1	4039150
CN(C)[C@@H]1CCC[C@@H](O)C1	4038574
Cl.O[C@H]1CNCC[C@@]1(O)C1=CC=CC=C1	4038933
O[C@@H]1CO[C@@H]2CCO[C@H]12	4039207
N#CC12CCCN1CCC2	4039245
O=CC1=CC2=NC=NN2C=C1	4039564
O=CC1=CC=CC2=C1SC=N2	4038991
O=CC1=CC=CC(CC(F)(F)F)=C1	4039027
OCC1=CC=CC2=C1SC=N2	4039325
NCCC(O)CO	4051484
C[C@@H](CN)N(C)C.Cl.Cl	4051077
CC1=NC(CN)=NN1C.Cl.Cl	4051237
[H][C@@]12CCN(C(=O)OC(C)(C)C)C[C@]1([H])CC(=O)C2	4042396
C[C@H]1CNC[C@@H](CO)O1.Cl	4042449
C[C@@H]1CNC[C@@H](CO)O1.Cl	4042486
Cl.[H][C@@]12C[C@H](N)C[C@]1([H])C[C@H](O)C2	4042544
CC1=C(CBr)C(C)(C)CCC1	4051931
CNC(=O)[C@H](C)NC.Cl	4051973
CN1CCO[C@@H]2CNC[C@@H]21.Cl.Cl	4051696
Cl.N[C@@H]1CC[C@H](O)[C@H]1O	4051849
COC(=O)C1=CN=C(C2CCNC2)C=C1	4052128
N=C(N)[C@H](O)C1=CC=CC=C1	4052271
CC(C)(C)OC(=O)N1CCO[C@H]2CNC[C@@H]21	4052443
NC[C@H]1C[C@@H]2CC[C@H]1O2	4052456
Cl.OC[C@@H]1C[C@@H]2CC[C@H](C1)N2	4052638
COC(=O)[C@]1(C(C)C)CCCN1	4052949
CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2.Cl	4052531
Cl.NC1=C(O)C(Cl)=NC=C1	4054311
CC1=CC(CC(=O)O)=CC(C)=N1.Cl	4054900
CC1CNCCN1C1=CC=C(F)C=N1	4053625
CN(C)[C@@H]1CNC[C@H]1O.Cl.Cl	4054484
CN1N=CN=C1CCl.Cl	4055378
CN1CCC[C@@H]1CN.Cl.Cl	4055531
CC1=CC=CN2N=CC(C=O)=C12	4053809
O=C1CC[C@H](CCO)N1	4054374
CC1=CC(O)=C(C)C=C1B1OC(C)(C)C(C)(C)O1	4053966
C[C@@H](C(=O)O)N(C)C.Cl	4053971
C[C@@H]1CN[C@H](C)C(=O)N1.Cl	4054379
COC(=O)[C@@H]1C[C@@H]2CC[C@H](C1)N2	4055143
Cl.N[C@@H]1C[C@@H]2CC[C@H]1O2	4053703
O[C@@H](CBr)C1=CC=CC=C1	4053875
C[C@H](O)C(=N)N	4057094
CNC(=O)[C@@H](C)N.Cl	4055906
CN1CCN2C(=CC=C2C(=O)O)C1.Cl.O	4056224
CC(C)(C)OC(=O)N1C[C@@H](N)[C@H](O)C1.Cl	4055815
COC1=C(B2OC(C)(C)C(C)(C)O2)C=C(F)C(C(F)(F)F)=C1	4056692
COC[C@H](C)NC(=O)C1CCNCC1	4055976
CN(C)C1=NC(Br)=NS1	4056874
NCC1CC2=NN=C(C3CC3)N2C1	4057476
CN1CCC2=CC=CC=C2C12CCNC2.Cl.Cl	4057199
C[C@H]1CNCC(=O)N1	4057204
C=CC(O)CN	4055871
CN(C)[C@H]1CC[C@@H](CN)CC1.Cl.Cl	4055878
Cl.FC(F)(F)OC1CCNCC1	4056201
CN1CCO[C@H]2CNC[C@@H]21.Cl.Cl	4060346
C[C@H](N)C(=O)N(C)C.Cl	4059620
CS(=O)(=O)C1=CC=CN=C1Br	4058285
CO[C@H]1C[C@H](C(=O)O)C1	4058431
CC(C)C1=NN(C)C(Br)=C1	4058880
CC1=NN=C2CCC(N)CCN12.Cl.Cl	4059789
CNC(=O)[C@@H](C)NC.Cl	4058453
O=C1C[C@@H]2CCO[C@H]12	4059800
C[C@@H](O)C(=N)N	4060246
CC(C)[C@@]1(C(=O)O)CCCN1.Cl	4058771
COC(=O)C1=NN2CCCNCC2=C1.Cl	4060252
CC(C)(C)OC(=O)N1[C@H]2CCC[C@@H]1C[C@@H](N)C2.Cl	4058639
CNC1=NC(Br)=NS1	4059983
O=C1CC(C2=COC=C2)CN1	4058505
C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1	4059258
CC(C)[C@H](CN)N(C)C	4059844
CC(C)N1CCC[C@H]1CN.Cl.Cl	4058071
Cl.NC1(CC2CC2)CCOCC1	4058964
CN[C@@H](C)C(=O)N(C)C	4058968
CO[C@@H]1CN(C)C[C@@H]1N.Cl.Cl	4059274
C[C@H]1CN[C@H](C)C(=O)N1.Cl	4059417
Cl.O=C1CNC[C@@H](CC2=CC=CC=C2)N1	4058087
COC1=CC=C(N2CCNCC2)C=N1	4059438
Cl.Cl.N[C@H]1CCCN2CCC[C@@H]12	4059304
NCC1=CC=CN2N=CC=C12	4059598
Cl.Cl.NC1CC2=CN=CN2C1	4059018
O=C(O)C1=CN2N=CC=C2C=C1	4059159
CC1=C(C)C(B2OC(C)(C)C(C)(C)O2)=CC=C1O	4061821
CC(C)(C)OC(=O)N1CCO[C@@H]2CNC[C@@H]21	4062419
C[C@H](O)C(=N)NO	4061691
CC(C)(C)OC(=O)NC1CCCOC12CCNCC2	4060803
O=C(O)C1=C(Cl)C=CC2=NC=CC=C21	4061552
C1CN[C@H](CN2CCOCC2)C1	4061555
O=C(O)[C@H]1CCCN1C(=O)C1CCCCC1	4061261
Cl.NCC1=NNC2=CC(Br)=CC=C21	4060730
CC(C)(C)OC(=O)N[C@@H]1CS(=O)(=O)C[C@H]1N	4061031
OC1CCCOC12CCNCC2	4061328
CN1N=C(Br)C=C1Cl	4060462
C[C@H]1OCC[C@H]1C(=O)O	4061662
OCCOC(F)(F)F	4063600
Cl.Cl.O[C@@H]1CNC[C@H]1N1CCCCC1	4063322
CN1C=C(NN)C=N1.Cl.Cl	4064935
C[C@H]1CNC[C@@H](C)N1C.Cl.Cl	4064650
CN1CCCN2N=CC(C=O)=C12	4064796
CC[C@@H]1CN(C)CC[C@@H]1N.Cl.Cl	4063782
CC(C)[C@@H]1CN(C)CCN1.Cl.Cl	4064510
CC(C)(C)OC(=O)N[C@H]1C[C@@H]2CC[C@H](C1)N2.Cl	4064228
CCN1CCC[C@@H]1C(=O)O.Cl	4063390
[H][C@]12CCN(C(=O)OC(C)(C)C)[C@@]1([H])CCN2	4063535
CC(C)C1CN(C)CCN1.Cl.Cl	4063960
CCN(CC)C[C@@H]1CCCN1	4064254
COC1=C(O)C(C(=O)O)=NC=C1	4063258
CN[C@@H](C)C(=O)OC.Cl	4063702
CC[C@@H]1CN(C)CC[C@H]1N	4062973
Cl.O=C(O)[C@H]1CCCN1CC1=CC=CC=C1	4064293
CC(C)[C@@H](CN)N(C)C	4063861
C[C@H]1CNC[C@H](C)N1C	4066224
O=C(O)[C@H]1C[C@@H]2C[C@H](O)[C@H]1O2	4067112
CC1=C(C)C(B(O)O)=CC=N1	4065054
CN1CC(CBr)CCC1=O	4065972
COC1=C(B(O)O)C=C(F)C(C(F)(F)F)=C1	4066714
NNC(=O)[C@@H](O)C1=CC=CC=C1	4065828
COC1=CN=CN=C1N	4065839
N[C@H]1C[C@@H]2CC[C@H]1O2	4066639
CN(C)[C@H]1CC[C@H](CN)CC1.Cl.Cl	4066941
CC[C@@H](N)CN(C)C.Cl.Cl	4066349
CC(C)(C)OC(=O)N1CCOCC1CCN	4065623
CC1(C)OB(C2=C(C(N)=O)C=CC=C2)OC1(C)C	4068730
CC[C@@H](CN)N(C)C.Cl.Cl	4069612
O[C@H](CBr)C1=CC=CC=C1	4068902
O=C1CC(C2=C(F)C=CC=C2Cl)CN1	4069636
COC1=NC=CC=C1CCN	4069505
CN1CC[C@@H]2NCCC[C@H]2C1.Cl.Cl	4067885
C1=CN2N=CC=C2N1	4069068
CC[C@H](N)CN(C)C.Cl.Cl	4069075
CO[C@H]1C[C@@H](O)C1	4069248
CNCC1=NNC(C)=C1.Cl.Cl	4110852
COC(=O)[C@@]1(C(C)C)CCCN1.Cl	4069544
CN1CCC2(CNCCO2)C1	4069410
CN[C@H](C)C(=O)OC.Cl	4068255
CC(C)(C)OC(=O)N1CCC2(CNCCO2)C1	4067525
COC1=C(C=O)C=C(C)N=C1	4067969
OCC1=CC=CN2N=CC=C12	4068561
CC1=C(B2OC(C)(C)C(C)(C)O2)C=C(F)C(O)=C1	4069300
Cl.OC1CCC2(CCCN2)CC1	4068277
CC[C@H](CN)N(C)C.Cl.Cl	4070052
OC1COCCOC1	4070066
CC1=NC(C(F)(F)F)=NC=C1C=O	4070223
CC(C)(C)OC(=O)N[C@H]1CC[C@@H]1N.Cl	4069928
C[C@H]1C[C@@H](N)CCN1C	4070676
CC(C)(C)OC(=O)N1C[C@@H]2CC[C@](C(=O)O)(C1)[C@H]2O	4070534
NCC1=CC2=CC=NN2C=C1	4071171
O=C([C@H]1CCCN1)N1CCOCC1	4069836
CC[C@H]1CNCCN1C.Cl.Cl	4071628
COC(=O)C1=NN2CCNCC2=C1.Cl	4071653
COC(=O)[C@H]1C[C@@H]2CC[C@H](C1)N2	4072283
CS(=O)(=O)N1CCC[C@@H]1C(=O)O	4072292
BrC1=C2CCNCCC2=CC=C1.Cl	4073453
CC(C)[C@@]1(C(=O)O)CCCN1C(=O)OC(C)(C)C	4072879
Cl.Cl.N[C@H]1C[C@@H](C2=CN=CC=C2)C1	4072765
O=C(O)C1=C2COCC2=CC=C1	4074077
CCOC(=O)C1COCCC1=O	4073219
C[C@@H]1CN(C)CCCN1.Cl.Cl	4072236
C[C@H](CN)N(C)C.Cl.Cl	4073390
C=C(CC)CN.Cl	4074283
CC1(CO)CNC1	4074448
Cl.N[C@H]1CCC[C@H](O)CCC1	4074884
CC1=CC2=C(N)C=NN2C=C1	4076225
CC(C)N1CCC[C@@H]1C(=O)O.Cl	4076375
CC[C@@H]1CNCCN1C.Cl.Cl	4076384
CN1N=C(C2CC2)C=C1Br	4076690
CN[C@H](C)C(N)=O.Cl	4076581
IC1=CC=NS1	4075854
CC(C)(C)OC(=O)N1C[C@@H]2OCC(N)CO[C@H]2C1	4075255
CN1CCC[C@H]1CN.Cl.Cl	4076302
Cl.O[C@@H]1CC[C@@H]2CCCN2C1	4075276
Cl.Cl.N[C@H]1C[C@H](C2=CC=NC=C2)C1	4074994
NC1C=CCCC1	4075151
BrC1=C2NCCCN2N=C1	4076633
O=C(O)[C@H]1C[C@@H]2CC(=O)[C@H]1O2	4078288
Cl.Cl.N[C@H]1C[C@@H](C2=CC=NC=C2)C1	4077112
O=C(O)C1=CC=CN2N=CC=C12	4078451
CCC(=O)N1CCC[C@@H]1C(=O)O	4078049
CC1=NNC(C)=C1B(O)O	4077477
O=C(O)C1=NC=C(CO)N=C1	4077916
C[C@H](C(=O)O)N(C)C.Cl	4078952
Cl.Cl.N[C@H]1C[C@H](C2=CN=CC=C2)C1	4079107
CO[C@@H]1CN(C)C[C@H]1N.Cl.Cl	4078236
CC(C)N1CCC[C@@H]1CN.Cl.Cl	4077208
O=C([C@H]1CCCN1)N1CCCCC1	4078101
CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1N.Cl	4078831
CN[C@@H](C)C(N)=O.Cl	4077652
CC[C@@H]1C[C@@H](O)CCN1.Cl	4078695
C1CN[C@@H](CN2CCOCC2)C1	4078411
OB(O)C1=CC2=C(C=CO2)C=C1	4077820
N=C(N)[C@@H](O)C1=CC=CC=C1	4079011
C[C@H](O)CN1CCNCC1.Cl.Cl	4076946
O=C(O)C1=NN2CCCNC(=O)C2=C1	4080647
CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2CNC[C@@H]21.Cl	4079616
C[C@H]1CN(C)CCCN1.Cl.Cl	4081265
CN1CC(O)CCC1=O	4079526
C[C@H]1CN2CCC[C@H]2CN1.Cl.Cl	4080869
Cl.N[C@H]1CC[C@H]2CCC[C@@H]12	4080727
C[C@H]1C[C@H]2CNC[C@H]2O1.Cl	4080156
Cl.OC1CO[C@H]2CNC[C@@H]2OC1	4080606
CN(C)C(=O)[C@H]1CCCN1.Cl	4079863
CN[C@H](C)C(=O)N(C)C	4079600
C[C@@H](O)C(=N)NO	4081862
CCN(CC)C[C@H]1CCCN1	4082557
C1C[C@H]2COC[C@@H](C1)N2.Cl	4083604
O=C1N[C@@H]2CN[C@H]1C2	4082172
C[C@@H](N)C(=O)N(C)C.Cl	4082759
CC(C)N1CCCC1C(=O)O.Cl	4082613
COC(=O)[C@H]1CN(C)C(=O)CN1.Cl	4081933
C[C@@H]1NC[C@@H](C)NC1=O.Cl	4082967
ClC1=CN2C=C(Br)C=CC2=N1	4085375
CC1=NC(C(=O)O)=NN1C	4085547
C[C@H]1CN2CCC[C@@H]2CN1.Cl.Cl	4084638
COC(=O)C1=CC(Br)=C(C)N1	4085415
C=CC(NC(=O)OC(C)(C)C)C(=O)O	4086092
C1=NC2=C(CCC2)N1	4085442
CC1=NN(C)C(C(=O)[O-])=N1.O.[K+]	4085781
Cl.O=C(O)[C@H]1NCC[C@@H]1C1CC1	4084979
COC1=C(B2OC(C)(C)C(C)(C)O2)C=C(F)C=C1	4085135
CC1(C)OB(C2=CC=NN=C2)OC1(C)C	4085471
CC(C)CC1=CC(CCl)=NO1	4085472
Cl.O=C1CO[C@@H]2CNC[C@@H]2N1	4084550
COC1=CC=C(CNN)C=C1	4085299
C[C@H]1CN[C@@H](C)C(=O)N1.Cl	4084559
CC(C)(C)OC(=O)NC1C(C(=O)O)CC1(C)C	4085984
CC(C)(C)N1CC(CN)CC1=O	4087843
CCNCCN1CCN(C)CC1	4087845
O=C(O)C1=NC2=CC=CC=C2S1	4087999
Cl.Cl.NCC1=CC2=C3C(=C1)CCCN3CCC2	3002535
Cl.NCCC1=NC2=CC=CC(Cl)=C2O1	3002544
Cl.O=C(O)CN1CCSCC1	3002547
CC1=CC=C(CN2C=C(N)C=N2)C=C1.Cl	3002609
O.O=C([O-])C1=CC=C(N2CCNCC2)C=C1.[Na+]	4001711
CN1C=CN=C1C(O)CN.Cl.Cl	4004009
Cl.NCCC1=NNC(=O)N1	4004850
CC1=C(Cl)SC(CCN)=N1.Cl	4010250
O.O=C(O)CCC1=CN2C=CC=CC2=N1	4010282
C1=CN(CC2CCNCC2)C=N1.Cl.Cl.O	4087853
CN1CCC(CC(=O)O)CC1	4087854
C1=CC=C(CCC2CCNCC2)C=C1	4087858
CCOC(=O)C1=CC=C(NN)C=C1	4088007
CN1C=NC2=CC=C(N)C=C21	4088011
CC1=CC(C(=O)NN)=C(C)O1.Cl	3002655
Cl.Cl.NC1=CC=C(CC2=CC=CC=N2)C=C1	3002671
C1CC2COCC(C1)N2.Cl	4003104
COC1=CC=CC(C(=O)N2CCNCC2)=C1.O=C(O)C(F)(F)F	4004082
NC1=CC=CC=C1C1=NN=NN1	4087865
CC1=NC=CC(N2CCNCC2)=C1	4087866
CN1CCC(NN)CC1	4087870
Cl.OCCN1CCN(C2CCNCC2)CC1	4088016
Cl.Cl.NC1=CN(CC2=CC=CC(C(F)(F)F)=C2)N=C1	3002709
Cl.NCCOC1=CC=C(C(=O)O)C=C1	3002764
C1=CC=C(CCN2CCCNCC2)C=C1.Cl.Cl	3002775
CC1=CC(C)=C(CN)C=N1.Cl.Cl	4003180
CC(C)(C)OC(=O)N1CCCCC1CCN.Cl	4004161
CN1CC(N)CCC1=O.Cl	4087873
CC(C)N1C=NC=C1CO	4087876
COC1=CC(CCl)=NC=C1	4087877
C1CCC2(C1)CNCCO2.Cl	4087879
CC(C)C1=NOC(CN)=N1	4088027
COCCOC1CCNCC1	4088028
Cl.NC1=C(C(=O)N2CCCC2)C=CC=C1	3002817
Br.CC1=C(CN2CCCC2)C(C(=O)O)=NO1	3002818
Cl.Cl.NC1=CC=CC(CN2C=CN=C2)=C1	3002840
I.NC1CC2=CC=CC=C2NC1=O	3002841
Cl.OC[C@@H]1CNC[C@H]1C1=C(F)C=C(Cl)C=C1	3002915
CC1=CC(CN2CCNCC2=O)=CC=C1.Cl	4004200
CC(C)N1CCC(C=O)CC1	4087882
Cl.NCCCOC1=CC=CC=C1	4087883
COC1=NC(C)=CC(C)=C1CN	4087884
CC(C)N1N=CC(N)=N1	4087885
Cl.Cl.NC1=C(C2=CC=CC=C2)NN=C1.O	4087889
NCC1CCCOC1	4088037
Cl.NCCC1=NN=NN1	4088038
CCC1=CC=C(OCCN)C=C1.Cl	3002940
CCN1C=C(N)C(C(=O)OC)=N1.Cl	3002959
CC1=C(CCCN)C2=C(C=CC=C2)N1.Cl	3003039
CC1=CC=CC=C1N1CCNC(C)C1.Cl	4002086
O.O=C(O)C1=CC=C(C2=NC=CN2)S1	4002111
Cl.Cl.NCC1=CC=NC2=C1C=CC=C2	4002122
Br.NCCN1N=NC2=CC=CC=C21	4004263
O.O=C(O)C1=NC2=C(CCCC2)S1	4005753
Cl.Cl.NCCCN1CC2=CC=CC=C2C1	4005808
Cl.NC1=CC2=C(C=C1)CC(=O)N2	4087893
CC1=NC2=C(C=CS2)C(=O)N1.Cl	4087897
Cl.Cl.NCC1(CN2CCOCC2)CC1	4087899
CC(O)C1CCNCC1	4087900
NCC1=NNC(C2CC2)=C1.O=C(O)C(=O)O.O=C(O)C(=O)O	4088049
CNCC1=CN=C2C=CC=CN12.Cl.Cl	4088050
COC1=CC(CN2CCNCC2)=CC=C1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F	4088051
Cl.Cl.NC1CCN(C2=NC3=NC=CC=C3O2)CC1	3003081
Cl.Cl.NC1=CC=C(N2CCCC2)C(C(F)(F)F)=C1	3003086
CC1=CC(C)=CC(OCCN)=C1.Cl	3003088
CC1CCN(S(=O)(=O)CCN)CC1.O=C(O)C(=O)O	3005003
CC1=CC(N2CCNCC2)=NC2=CC=CC=C12.Cl	3005010
Cl.O=C1CC[C@@H](CNCC2=CC=CC=C2)N1	4002164
Cl.Cl.O=C(C1=CC=CN=C1)C1CCCNC1	4005893
Cl.Cl.OC(C1=CC=CC=N1)C1CCNCC1	4005911
CC(N)C1=NC=CS1.Cl.Cl	4087749
Cl.Cl.NNC1=NN=C(C2=CC=CC=C2)C=C1	4087752
NCC1(CN2CCCC2)CC1	4087903
NC1CCC2=C(C=CC=C2)C1	4087906
CN1CCOC(CN)C1	4087908
CCN1C=C(N)C=N1.Cl	4087911
CC(N)CC1=CC=CC=N1	4000001
Cl.NCC1=NOC=C1	2102253
CNCC1=NOC=C1.Cl	2102254
Cl.NCCOC1=CC=CC=C1C1=CC=CC=C1	3005099
CC(C)(C)C1=CC=C2OC(N3CCC(N)CC3)=NC2=C1.Cl.Cl	3005113
Cl.NCCOC1=C(F)C(F)=C(F)C(F)=C1F	3005141
Cl.Cl.NC1=NC2=C(C=CC(C(=O)O)=C2)S1	4002250
CC1=CC=C2NN=C(C(=O)O)C2=C1.O	4006004
CN1N=C(C(=O)O)N=C1Cl	4087584
C1=CC=C(C2CCCCN2)N=C1	4087765
NCC1=NOC(C2CC2)=C1	4087915
CN(C)CC1(O)CCNCC1	4087917
CC1=NN(C)C=C1N.Cl	4087920
CN1CCN(C2=NC=C(N)C=C2)CC1.Cl	4087921
CNCC1=NNC(=O)N1.Cl	2102304
CC(N)C1=NNC(=O)N1.Cl	2102305
Cl.NCCOC1=CC=C(C2=CC=CC=C2)C=C1	3005254
Cl.NCCOC1=CC(Cl)=C(Cl)C=C1	3005342
CC1=NN(CN2N=C(C)C(Br)=C2C)C(C)=C1N.Cl	3005385
Cl.Cl.O=C(O)C(C1=CC=C(F)C=C1)N1CCNCC1	3005393
CN1CCN(C)C(CC(=O)O)C1.Cl.Cl	4004422
CN1C=NC(N)=N1	4087773
C1CN(C2CCOCC2)CCN1.Cl.Cl.O	4087923
N[C@H]1COC[C@@H]1N1CCCCC1	4087926
CC(=O)O.N=C(N)NC1CC1	4087927
CC(=O)O.N=C(N)NCC1=CC=CC=C1	4087928
CN1C=NC2=C(C=CC(C(=O)O)=C2)C1=O	4087930
CNCCCC1=NC2=CC=CC=C2N1.Cl.Cl	3001592
CC1=CC(OCCN)=CC=C1.Cl	3001621
Cl.Cl.NCCC1CN(C2=NC3=CC=CC=C3O2)CCO1	3005406
CC(C)C1=NC=CN1CC1=CC(N)=CC=C1.Cl.Cl	3005409
Cl.O=C(C1COC2=CC=CC=C2O1)N1CCNCC1	3020067
Cl.O.O=C1CCCN(CC2=CC=CC=C2)C1	3020073
COC1=CC2=C(C=C1)NC=C2CCN.Cl	3020075
Cl.Cl.NCC(C1=CC=CC=C1)N1CCCCC1	4003527
Cl.NC1CCOCC1	4003544
Br.CC1=CC(CN)=NO1	4003548
Cl.ClC1=CC=C(OC2CCNCC2)C=C1	4004477
CN1N=CC(N)=N1.Cl	4006206
CN1N=C(CO)N=C1Br	4086937
C1=CC=C(COC2CCNCC2)C=C1.Cl.O	4087775
NCCN1CCC(C2=CC=CC=C2)CC1.O	4087778
Cl.NC(=O)C1=C(N)C=NN1.O	4087934
CNC(=O)C1=NNC(N)=C1	4087937
CC(N)(C(=O)O)C1CC1.O	4087938
CC(C)N1C=NC=C1C=O.Cl	4087941
C[C@@]1(C2=CC=CC=C2)CNC[C@H]1CO.Cl	3001624
Cl.OC[C@@H]1CNC[C@H]1C1=C(F)C=CC(F)=C1	3001627
CCC(N)C1=C(Cl)C=CC(Cl)=C1.Cl	3001635
CC(=O)N1C2=CC=C(N)C=C2CC1C.Cl	3001668
Br.CNC(C)CC1CCCCC1	3001688
Cl.NCCOCC1=CC=CC=C1Cl	3001701
C1CCC(N2CCNCC2)C1.Cl.Cl	3020246
CCC(CC)N1CCNCC1.Cl.Cl	3020247
CCOC(=O)C(N)CO.Cl	3020297
Cl.NCCC1=CNC2=C1C=C(Cl)C=C2	3020302
Cl.Cl.NC1=CC2=C(C=C1)SC=N2	4087784
NC1=CC2=C(C=C1)SC=N2.O	4087785
Cl.Cl.NCCN1CCC2=CC=CC=C2C1	4087789
Br.NCC1=NN=NN1	4087793
CO[C@H]1CC[C@H](N)CC1	4087947
Cl.NCCOC1=CC=C2CCCC2=C1	3001763
CCC1CCCCN1CCC(=O)O.Cl	3001814
Cl.Cl.NCC1CN(C2=NC3=NC=CC=C3O2)CCO1	3001852
CC1CC2=CC=CC=C2N1CC(=O)O.Cl	3001881
CN1CCN(C2=NSN=C2Cl)CC1.Cl	3020368
CCN(CC)CC1=C(C)ON=C1C(=O)O.Cl	3020418
CCOCC(=O)NCCN.O=C(O)C(=O)O	3020446
Cl.Cl.NC1=CC2=C(C=C1)NCC2	3020471
Cl.Cl.NCCC1=CSC2=NCCCN12	4002492
CC1=CN2C(C(=O)O)=CSC2=N1.Cl	4002495
CN(C)C1=C(B(O)O)C=CC=C1.Cl.O	4008672
CNCC1=CC2=CC=CC=C2N=C1.Cl	4087797
COCCOC1=CC=C(N)C=C1.Cl	4087798
CNCC1=CC=CS1.Cl	4087952
NCCC1=CC=CO1	4087953
NC1CCS(=O)(=O)C1	4087954
CNCC1=CSC(C)=N1.Cl.Cl.O	4087958
Cl.Cl.NCC1CCN(C2=NC3=NC=CC=C3O2)C1	3001890
CC1=CC(C)=C(OCCN)C=C1.Cl	3001898
Cl.Cl.NCC1CN(C2=NC3=CC(Cl)=CC=C3O2)CCO1	3001914
CC1CCN(CCC(=O)O)CC1.Cl	3001923
CCC(C(=O)O)N1CCNCC1.Cl.Cl	3001937
Cl.ClC1CCN(CC2=CC=CC=C2)CC1	3020481
CC1=CC=C(B(O)O)O1.O	3200979
C=CCC(O)(CC=C)[C@H](C)N	4000038
Cl.Cl.NCCC1=NC(C2=CC=NC=C2)=NN1	4003660
O=C([O-])C(C1=NC=CC=C1)N1CCOCC1.[K+]	4003715
Cl.NCC1=CNN=C1C1=CC=C(Cl)C=C1	4004566
O=C1CNCCN1C1CCCCC1	4087805
CNCCCN1CCOCC1	4087808
NCCCN1C=CC=N1	4087812
NCCC1=CNN=C1	4087965
CNCCC1=CNN=C1	4087966
Cl.NCC1COCCO1	4087967
CNCC1COCCO1	4087968
CC(=O)NC(C)C1=CC=CC(N)=C1.O=S(=O)(O)O	3001959
Cl.O=C(O)C1=CC(C2=CN=CC=C2)=NN1	3001974
CC1=CC(OCCN)=C(Cl)C=C1.Cl	3002010
CS(=O)(=O)NCCC1CCNCC1.Cl	3002031
Cl.NCCOC1=CC(Cl)=CC=C1	3002038
CC1=NC(CC(C)C)=CC(C(=O)O)=N1.Cl	4002751
CC(C)(C)OC(=O)N1C[C@H](N)C[C@@H](O)C1	4110608
CNCC1=NC2=CC=CC=C2C(=O)N1.Cl.Cl.O.O	4009696
CN1CC[C@@H](O)[C@H](C(=O)O)C1.O	4009741
O=C(O)C(F)(F)F.O=C1CNCCN1C1=CC=CC=C1	4087971
Cl.NCC1=CN=C2C=CC=CN12.O	4087977
CC1=CC2=C(C=C1Cl)N=C(CN)O2.Cl	3002149
CC1=C(Cl)C=C2OC(CCN)=NC2=C1.Cl	3002156
Cl.Cl.NCCC1CN(C2=NC3=NC=CC=C3O2)CCO1	3002161
CC1CCCCN1CCC(=O)O.Cl	3002199
Cl.Cl.NNC12CC3CC(CC(C3)C1)C2.O	4003886
OC(C1=CC=CC=N1)C1CCNCC1	4087828
NC1=NN=C2C=CC=CN12	4087829
Cl.NC1=NN(CCO)C=N1	4087830
FC1=C(C2CCNC2)C=CC=C1	4087832
COC1=CC=CC=C1CN1CCNCC1.O.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F	4087982
CC(C)C1=CC=C(OCCN)C=C1.Cl	3002253
CS(=O)(=O)N1CCCC(CCN)C1.Cl	3002303
CC1=C(CN(C)C)C(C(=O)O)=NO1.Cl	3002333
C=CC[C@H]1CC=C[C@@H](C)N1	4000083
CN(C)CCOC1CCNCC1.Cl.Cl.O.O.O.O.O.O.O	4002975
C1=CC=C(COC2CCCNC2)C=C1.Cl	4002978
CC(C)N1CC(CN)CC1=O.Cl	4002985
C1=CC=C2CC(N3CCCNCC3)CC2=C1.O=S(=O)(O)O.O=S(=O)(O)O	4004632
ClC1=C(C2CCNC2)C=CC=C1	4087833
CC1=NC=CN1CC(=O)O	4087837
CC1=NNC(C)=C1CCN	4087987
CN(C)CCC1CCNCC1	4087989
NC1(C(=O)O)CCCC2=CC=CC=C21.O	4087993
CNCC1=CC=NC=C1.Cl.Cl	3002392
Cl.Cl.NCCOC1=CC=CC=C1OCCN	3002408
CSC1=CC=C2CNCCC2=C1.Cl	4003010
CCNC1CS(=O)(=O)CC1O.Cl	4003963
O.O.O.O=C(O)C1=C(N2CCNCC2)C=CC=C1	4010135
CN1CC=CC1C(=O)O.Cl	4029308
CC(C)N1C[C@H](N)[C@@H](O)C1.Cl.Cl	4033304
Cl.NC1=CN=C(C2=CN=CC=C2)S1	4035006
CC1=NNC(C(C)C)=C1Br.Cl	4035089
Cl.O[C@H]1C[C@@H]2CNC[C@@H]2C[C@H]1O	4037671
C1C[C@@H]2C[C@H]1[C@@H]1CNC[C@@H]12.Cl	4037686
Cl.NCCC1CCS(=O)(=O)C1	4041197
C1C[C@H]2CNC[C@@H]1C2.Cl	4044639
Cl.N[C@H]1COC[C@H]1O	4044721
C1=NC(C2CCNC2)=CN1.Cl.Cl	4075786
CC1=CC(CC(=O)O)=NC=C1.Cl	4079088
CC1=C(B2OC(C)(C)C(C)(C)O2)C=NC(N)=C1.Cl	4080057
COC1=CC(N2CCNCC2(C)C)=CC=C1.Cl.Cl	4011618
CC1=NC2=CC(NN)=CC=C2S1.Cl.Cl	4013457
CC[C@H]1CCC[C@H]1N	4015651
Cl.NCC1=NOC(C2CCCC2)=N1	4017808
Cl.NC(=O)[C@H]1CCCC[C@H]1N	4031246
Cl.NCC(O)C1=C(Br)C=CC=C1	4031261
CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@H](C(=O)O)C1	4031301
CCC1=NOC(C(C)N)=C1.Cl	4035144
C1=NC=C2CNCCCN12.Cl.Cl	4038086
CN1C(=O)CC(CN)C2=CC=CC=C21.Cl	4044838
Cl.OCC1CNCC1O	4085295
CN(C)CC1=NOC(CCl)=N1.Cl	4017860
CC(=O)CC(C)N.Cl	4022442
CC1=CC=C(N)C=C1C(C)C.Cl	4022447
C=CCN1CCC(CN)C1.Cl.O	4026449
CCN1CCN(S(=O)(=O)Cl)CC1.Cl	4026552
Cl.O=C(O)C1(CN2C=CC=N2)CC1	4029690
COC1=CC2=C(C=C1N)N(C)C(=O)N2C.Cl.O	4029742
Br.CC(N)C1=CC(F)=C(O)C=C1	4031422
Cl.NCC1=NOC(C2=CC=C(Cl)C=C2)=C1	4031481
Cl.NC1=CC=CC(C2=CN=CN2)=C1	4035367
Cl.Cl.O=C1NC=NC2=C1CCNCC2	4038407
Cl.NCCC1=NN=C(C(F)(F)F)S1	4041566
Cl.Cl.NC1=CC=C(C2=NC=CN2)C=C1	4045011
CC1=CN=C(CN)C=C1.Cl.Cl	4010338
Cl.Cl.NCC1=CSC(N2CCOCC2)=N1	4012025
Cl.NCC12CC3CC(C1)C(O)C(C3)C2.O	4013769
CC12CC3(C)CC(C)(C1)CC(N)(C2)C3.Cl	4013900
C[C@H]1CN(C)CC[C@H]1N	4015681
CC[C@H]1CN(C)CC[C@H]1N	4015682
C1=CC=C(OC2CCNC2)C=C1.Cl	4026663
CN1C[C@@H]2CC[C@H](CC1=O)N2.Cl	4031539
Cl.Cl.NC1CCN(C2CCSCC2)CC1.O	4035511
CN1CCCC2(CCNC2)C1=O.Cl	4038667
CC(C)(C)OC(=O)N1CC[C@@H](CN)[C@H](O)C1	4042226
Cl.NC1CCC2=CNN=C2C1	4085418
CCN1CC(N)CC1=O.Cl	4014079
CC1=CC(N2CCN(CC(=O)O)CC2)=CC=C1.Cl.Cl	4023161
CC1=NOC(CC2CCNCC2)=N1.Cl	4035613
COC(=O)[C@@H]1C[C@H](F)CN1.Cl	4039321
Cl.O=C1CC2(CCNC2)C(=O)N1	4039486
Cl.N[C@H]1CC[C@@H]2CCC[C@H]12	4039571
Cl.OC[C@@H]1CNC[C@H](CO)C1	4042475
CN(C)C[C@@H]1[C@H]2CNC[C@H]21.Cl.Cl	4042480
Cl.O=C(O)[C@@H]1C[C@H]2CCNC[C@H]21	4042499
Cl.O[C@@H]1[C@H]2CC[C@@H]1CNC2	4045228
CN(C)CCN1CCNCCC1=O.O=C(O)C(=O)O.O=C(O)C(=O)O	4100020
C1=NC(C2CCCNC2)=NO1.Cl	4045304
CN1C=NN=C1C1CCCNC1.O.O.O.O=C(O)C(=O)O	4100025
NCC1CCCN(C2=CC=CC=N2)C1.O=C(O)C(=O)O	4100043
Cl.Cl.NC1=CC=C(/C=C/C2=NC=CC=C2)C=C1	4100047
CC(C)N1C=C(CN)C=N1.Cl	4010687
Cl.Cl.NC1CCCC2=NC=CC=C21	4031914
CCC(C)NC.Cl	4039876
CN1CC(N)CCC1=O.Cl.Cl	4016162
CC1=CN(C(C)CN)N=C1.Cl	4026968
CN(C)CC1=NC(Cl)=CN=C1.Cl.Cl	4026992
CNCCN1C=C(C)C=N1.Cl.O	4028270
CS(=O)(=O)N1CCCC(CN)C1.Cl	4032041
CC1=C(CCN)C2=C(C=CC=C2)N1C1=CC=CC=C1.Cl	4100093
Cl.NCC(O)C12CC3CC(CC(C3)C1)C2	4100379
CC(C)C1=NOC(CN)C1.Cl	4010757
CCOC(=O)C1CC2=CC=CC=C2CN1.Cl	4014462
CC(CN)N1C=CN=C1.Cl.Cl.O	4014564
CC(CN)N1C=NC=N1.Cl	4014565
C1CCC2CCCC(C1)N2.Cl	4019325
CNCC1CC1(C)C.Cl	4032115
CN(C)C(=O)C1=CC(CN)=CC=C1.Cl.O	4034109
CNC(=O)C1=CC(N)=CC=C1OC.Cl	4034231
C[C@]12CNC[C@H]1C2	4036068
CC1=CC=C2C=CC=C(OCCN)C2=N1.Cl.Cl.O	4036111
Cl.NC1=NNC(C2=CC=NC=C2)=C1	4040113
Cl.N=C(N)C1(C2=CC=CC=C2)CC1	4043025
NC[C@H]1C[C@@H]2C=C[C@H]1C2.O=C(O)C(=O)O	4100397
Cl.O=C1CNCCN1CC1=CC=CC=C1F	4012297
CN1CCC(C2=CC=C(O)C=C2)CC1.Cl	4030614
CC(C)C1=NN=C(C(C)N)O1.Cl	4036296
Cl.NCC1=NN=C2C=CC(Cl)=NN21	4043237
Cl.Cl.NC(C1=CN=CC=C1)C(F)(F)F	4100719
CC1=C(C)C(CCN)=CS1.Cl.O	4028596
CN1CCC2(CCCNCC2)CC1.Cl.Cl.O	4036477
CN1C=NC2=C1N=CC(C(=O)O)=C2.Cl.O.O	4036490
CC1=NC(CCl)=C(C)S1.Cl	4043608
Cl.N#CCC1CCCNC1.O	4045699
CN1CCOC2(CCNC2)C1.Cl.Cl	4016664
CC1=NC(C(N)=O)=C(N)N1.Cl.Cl.O	4027212
CNC(=O)C1=C2CNCCC2=NN1.Cl	4032540
Cl.OC1CN(CC2CC2)C1	4043674
CN1C(=O)N(C)C2=C1C=CC(CN)=C2.Cl	4011131
Cl.NCCC1=CSC2=C1CCCC2.O	4028768
CCN1C=C(CN)C(C)=N1.Cl.Cl	4032624
CN1CC(=O)N2C[C@H](N)C[C@H]2C1=O.Cl.Cl	4036548
Cl.O.O=C(O)C1=CN2C=C(Cl)C=NC2=N1	4043789
COC1=C(N)C=CN=C1Cl.Cl.O	4049281
C1=CC=C(C2CNC2)N=C1.Cl.Cl	4025152
CCNC1CCOCC1.Cl	4032839
CCCNN.O=C(O)C(=O)O	4034715
Cl.O[C@H]1CCNC[C@@H]1O	4034771
C1CNCCOC1.Cl	4036691
Cl.O=C1NC2=CC=CC=C2C12CCCNC2	4036926
Cl.N#CC1=CC(CCl)=NC=C1	4049351
COCCNN.Cl.O	4050590
CN[C@@H]1CCCC[C@@H]1O	4050792
Cl.Cl.NCCC1=CN=C2C=CC=CN12	4020908
Cl.Cl.O.O.O=C1NC=NC2=C1CNCC2	4021039
O.O=C(O)C1=CN=C(C2=CC=CC=N2)N=C1	4025327
Cl.NCC1=CC=CC(C2=NN=NN2)=C1	4027476
COC(=O)C1C=CCN1.Cl	4028931
CCN1N=CC(CN)=C1C.Cl.Cl.O	4030974
CC1=NN2CCCNCC2=C1.Cl.Cl	4034778
Cl.N#CC1=NN2CCNCC2=C1	4034782
Cl.Cl.O=C1CC2(CCNCC2)CC(=O)N1	4037096
C1=CN=CC(C2CNC2)=C1.Cl.Cl	4037129
CC(C)(C)OC(=O)N[C@H]1CC[C@@H]2CNCC[C@@H]2C1.Cl	4037131
CCC1=NC=C(Br)S1.Cl	4041002
CC1(CO)CCCCN1.Cl	4041037
Cl.Cl.O=C1CCC2(CCNCC2)N1	4044198
Cl.OCC1(CO)CNC1	4056842
CN1C=CN=C1NN.Cl.Cl.O	4061388
Cl.Cl.NCCC1=CC=CC(=O)N1	4063034
Cl.N[C@H]1C[C@H]2OCC[C@@H]12	4064960
CNCC1=NC(C2=CC=CC=C2)=CS1.Cl	4101070
Cl.Cl.NCCCC1=NC=CS1	4101106
CNC1=NC=CC(C(=O)O)=C1.Cl.O	4015123
CC1=C(CN)SC(C(C)C)=N1.Cl.Cl	4027553
CC(C)[C@@H](N)C1=CC=CC=C1.Cl	4029051
CN[C@H]1CN(C)C[C@@H]1O.Cl.Cl	4033051
CNC(=O)CN1C=C(N)C=N1.Cl.Cl	4033088
C[C@@H]1CNC[C@@H]1C.Cl	4034805
CC1=NN=C(CN)S1.Cl.O	4034872
CCC1=CSC(N)=N1.Cl.O	4034888
CN1CCOCC(CN)C1.Cl.Cl	4037213
Cl.OC[C@H]1CNC[C@H]1O	4037276
CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](N)C1.Cl	4037528
CNCCC1=NOC=N1.Cl	4044451
Cl.N[C@H]1CC[C@H]1O	4068939
Cl.N[C@H]1CC[C@@H]1O	4071120
C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1N.Cl	4075537
NC1=NC=C(C2=CC=C(Br)C=C2)N1.O	4025963
N[C@H]1C2C=CC(C2)[C@H]1C(=O)O	4029303
CC1=NC(C(=O)O)=CN1	4088219
O=C(O)C1=NN=C2CCCCCN21	4088220
CN1C(C2CCNCC2)=NC2=C1C=CC=C2	4088222
CC1=NNC2=CC=CC=C21	4088223
NCC1=NC(C2=CC=CC=N2)=NO1	4088227
NCC1=CC=C(C2=CC=C(F)C=C2)O1	4088395
CC1=C(C2(O)CCNC2)C=CC=C1	4088399
CC(C)(C)OC(=O)N1C=C(CN)C2=CC=CC=C21	4088402
N#CC1=CC(CN)=CC=C1	4088569
NCC1=CC2=C(C=C1)NC(=O)N2	4088572
NCC1=NC(C2=CC=CC=C2F)=NO1	4088573
OC1CNC1	4088745
NC1=CC=CC(C2=CN=CN2)=C1	4088751
O=C(O)C1=CC(C2CC2)=NC2=CC=CC=C21	4088752
CN1CCCCC1CBr	4088753
NC1CCN(C2=CC=CC=C2)CC1	4088755
NC1CCCN(C2=NC=CC=N2)C1	4088917
CC1=CC=CC(N2CCC(CN)C2)=C1	4088918
NCC1=CC=C(C(=O)N2CCCCC2)C=C1	4088919
CCN(CC)CC1=CC(C(=O)O)=C(C)O1	4088920
CN1C=NN=C1CCl	4088922
CN(C)CC1=C(CN)C=CC=C1	4088924
CC(C)(O)C1CCNC1	4088925
CNCC(C)OC	4089097
OC1=CNN=C1	4089099
CC1=C(N)C=NN1C	4089100
O=C(O)CC1CNCCO1	4089101
C1=CC=C(COC2CNC2)C=C1	4089102
CN(C)[C@H]1CN[C@H](C(=O)O)C1	4089104
NCC1=NC(C(N)=O)=NO1	4089105
CC1(N)CCCCCC1	4089106
CNCC1=CC=C(C(=O)O)C=C1	4089273
COC(=O)[C@@H]1C[C@H](F)CN1	4089275
NCC1=NN=C(C2=CC=CC=C2)N1	4089276
NCC(=O)NC1=NC=CS1	4089279
NNC1=CC=NC=C1	4089280
CN(C)C(=O)C1=CC(CN)=CC=C1	4089281
CN(C)CC1CCNCC1	4089447
C1=CN(CC2CCNCC2)C=N1	4089449
CC1=NC2=C(C(=O)O)C=CC=C2N1	4089450
CC1=NC2=NC(CC(=O)O)=NN2C(O)=C1	4089452
CNC(=O)C(C)CN	4089454
CNCCN1N=C(C)C=C1C	4089455
C1CCC(CNCC2CCCO2)CC1.Cl	6591031
COC1=CC=C(C2=NOC(CCN)=N2)C=C1.Cl	9021495
COC1=CC=C2N=C(CN)NC2=C1	4088059
O=C(O)CCCN1CCCCC1	4088060
COCCN1C=NC=C1CN	4088065
NCC1=CC=NN1	4088066
CN(C)C1=C(Cl)C=C(N)C=C1	4088067
CNC(=O)C(C)N	4088228
CN1CCN(CCCOC2=CC(C=O)=CC=C2)CC1	4088230
CCN1CCNCC1=O	4088235
CCCN1C=NC2=CC(N)=CC=C21	4088405
NCC1=NOC(C2=CC=CC=C2)=N1	4088406
CC(=O)N1CCCC(CN)C1	4088408
CC(C)(C)N1CCC(CN)C1	4088411
CN(C)CCN1CCNCCC1=O	4088412
CNCC1=NC=CN1	4088413
NCC1=CC(C2=CC=CC=C2)=NO1	4088581
NC1=CC=C2NC(CO)=NC2=C1	4088584
CNCC1=CC2=NON=C2C=C1	4088585
CC1=C(C)N(CC(=O)O)C=N1	4088586
CC(C)(C)C1=CSC(CO)=N1	4088588
O=C(O)C1CN2CCC1CC2	4088589
C1=COC(CNCC2=CC=NC=C2)=C1	4088758
NCC1=CC=CC(CO)=C1	4088760
CN1CCC2=NNC(C(=O)O)=C2C1	4088762
COC1=C(O)C=C(C(=O)O)N=C1	4088767
FC1=CC2=C(C=C1)NC(C1CCNCC1)=N2	4088926
CC1=CC=C(B(O)O)O1	4088928
N#CC1(N)CCCCC1	4088929
CC1=CC(C(F)(F)F)=NC(CN)=N1	4088930
CN(CC(=O)O)C1CCNCC1	4088936
NC1CCCN(CC2=C(F)C=CC=C2)C1	4089108
CC(C)C1(CN)CC1	4089110
NCCNC(=O)C1=CC=CN=C1	4089282
NCC1=NN=C(N)S1	4089287
CCO[C@H]1CN(CC)C[C@@H]1N	4089289
ClC1=CC(OC2CNC2)=CC=C1	4089290
CNCCC1=CNN=C1.Cl.Cl	4101522
N[C@@H]1CS(=O)(=O)C[C@H]1O	4172199
Br.CC1=CC=C(CNCCC2=CNC3=C2C=CC=C3)C=C1	5527422
NC1CCN(C2=NC=CN=C2)CC1	4088069
COC1=CC=C(OCCCNCC2=CC=CC=C2)C=C1	4088070
CCOC1=CC=C(N)C(F)=C1	4088072
NC1=CC=CC(C2=CC=C(F)C=C2)=C1	4088073
NCC(=O)C1=CNC2=CC=CC=C21	4088074
CNC1CCS(=O)(=O)C1	4088076
CC1(C)[C@H]2CC=C(CCN)[C@@H]1C2	4088077
CNCC1=CN=C(C2=CC=CC=C2)S1	4088238
CC1=NN2C(=O)C(C(=O)O)=CNC2=N1	4088241
CC1=CC2=C(C=C1N)OCCO2	4088242
NC1(CC2=CC=CC=C2)CC1	4088247
CC1=NN(C)C=C1N	4088249
CNCC1=CSC=N1	4088415
CN(C)C(=O)C1=NC(N)=NN1	4088417
NNCC1=CC=CS1	4088418
C1=NNC2=C1CNCC2	4088419
CC1=C(CN)C=CN=C1	4088420
CCN1N=C(Br)N=C1N(C)C	4088421
CC(CN)N1C=NC=N1	4088423
NC1(C(=O)O)CCCC2=CC=CC=C21	4088424
O=C(O)C1=CCCNC1	4088590
NNCC1=CC=C(F)C=C1	4088591
CNC(=O)C1=CC(N)=CC=C1OC	4088592
CC1=NOC(C)=C1CCCN	4088595
OCCN1CCN(C2CCNCC2)CC1	4088768
O=C1NC=NC2=C1CCNCC2	4088770
NC1=CC(C2=CC=CN=C2)=NN1	4088773
CNC(=O)C1=C2CNCCC2=NN1	4088775
CC1=CN2C(C(=O)O)=CSC2=N1	4088776
CC(C(=O)O)N1CCOCC1	4088945
COC(=O)C1CNCCO1	4088946
CCN1CC(O)C1	4089118
CC1=CC(C)=NN1CCC(=O)O	4089120
N=C(N)C1=CC=C(F)C(F)=C1	4089123
NC1=C(OCC2=NC=CC=C2)C=CC=C1	4089125
CNCC1=C2N=CC=CC2=CC=C1	4089128
CN(C)C1=C(N)C=C(Br)C=C1	4089293
CN1C(=O)NN=C1CCN	4089294
CCC(C)NC	4089297
CC1=CC(O)=NC(CN)=N1	4089299
NCC1=NNC(C2=CC=CC=C2)=C1	4088082
CNCC1=NC2=C(C=CC=C2)N1C	4088084
C1=CC=C2C(=C1)N=CN=C2N1CCNCC1	4088251
NCC1=CC(Cl)=NC=C1	4088253
CC1=CC=CN2C=C(CCl)N=C12	4088256
NCC1(N2CCCC2)CCCCC1	4088257
CC1=NNC(C)=C1CN	4088258
CN1CSC[C@H]1C(=O)O	4088259
CN1CCC(C=O)CC1	4088425
O=C1NC2=CC=CC=C2NC12CCNCC2	4088426
CNCC1=CC=C(Cl)N=C1	4088428
NC1=NC=C(C2=CC=C(Cl)C=C2)N1	4088433
NC1=C2CCCC2=NS1	4088434
CN1C(=O)CCC1CN	4088603
CC(N)C1=NN=C(CC(=O)O)N1	4088610
CN(CCN)C1=CC=CC=C1	4088780
CNCCC(=O)O	4088781
NC1=CC=NC=C1B(O)O	4088782
CCN(CC)CC1=CC(C(=O)O)=C(C2=CC=CC=C2)O1	4088783
N[C@@H]1C[C@H]2C(=O)NCC(=O)N2C1	4088948
[H][C@@]12C=C[C@@]([H])(C1)[C@H](C(=O)O)[C@@H]2N	4088951
CCC1(CO)CCNCC1	4088954
O=C(C1=CC=CN=C1)C1CCCNC1	4088955
CCN(CC)C(=O)C1CCNCC1	4088957
CC(O)C(=N)N	4089130
NCC(O)C12CC3CC(CC(C3)C1)C2	4089137
CCC(N)C1=NC(C)=CN1	4089138
CC(C)(C)OC(=O)N1C=CC2=CC(CN)=CC=C21	4089140
CC1CN(C)CCCN1	4089141
NC1CCN(C(=O)N2CCCCC2)CC1	4089142
C1=COC(C2CCCCCN2)=C1	4089303
O=C(O)C1=C(F)N2C=C(Cl)C=CC2=N1	4089304
O=C(O)CCN1CCOCC1	4089309
Cl.NCC1=NNC(=O)C2=CC=CC=C21.O	4102059
Br.C1=CN=CC(CNCCC2=CNC3=C2C=CC=C3)=C1	5553645
Br.COCC(C)NCC1=CC(F)=CC=C1F	5554220
CC(C)C1=C(CN)SN=N1	4088087
C#CCNCC1=CC=CO1	4088089
N/C(=N\O)C1=CC=CO1	4088090
O=C(NCCC1=CC=CC=C1)C1CCNCC1	4088091
C1=CC=C(COC2CCNCC2)C=C1	4088093
CCNCCN1CCCCC1	4088094
NC1(C2CC2)CC1	4088261
CC(C)(C)OC(=O)N1CCN(C(=O)CN)CC1	4088267
CNCC1=CSC(C)=N1	4088268
CC1=NN=C(C(C)N)O1	4088435
C1=CC2=C(C=C1)C1=C(C=CC=C1)CNC2	4088438
CCC1=NC=C(Br)S1	4088439
OCCCNCC1=CC=CN=C1	4088440
NC1COC2=CC=CC=C21	4088614
NCCC1=NN=C(N)S1	4088616
CCN1C=CN=C1Br	4088617
CCN1C=NC(N)=N1	4088619
NC1CCN(CC2=CC=CC=C2Cl)CC1	4088623
NC(C1=CC=NC=C1)C1=CC=C(F)C=C1	4088789
CC(C)C12CC3CC(CC(N)(C3)C1)C2	4088791
NC1=CC=CC=C1OC1=CC=C(F)C=C1	4088795
CC1=C(N)C=NN1	4088796
CC(C)[C@@H](N)C1=CC=CC=C1	4088960
NC1CCC2=CNN=C2C1	4088961
CC1=CC(CN)=NC=C1	4088971
CN(C)CC1CNCCOC1	4089143
CN(C)CC1=CC(C(=O)O)=CC=C1	4089146
NCC1=CSC(N2CCOCC2)=N1	4089147
N=C(N)C1=NC=CC=N1	4089148
CC1=CSC(B(O)O)=C1	4089313
CC1=NON=C1CN	4089314
Cl.O=C1CNCCN1C1=CC=CC=C1	4102112
COCC1=CC(CN)=NN1.Cl	4102162
Cl.Cl.NCC1(N2CCCC2)CCCCC1	4102178
NC(CN1C=CC(=O)NC1=O)C(=O)O.O	5730793
CN1CCCCC1CCl	4088099
COCC(C)(C)N	4088100
NC1(C2=CC(F)=CC(F)=C2)CC1	4088107
CC1=NC=CC=C1CCl	4088270
NC1C(=O)NC2=CC=C(Cl)C=C21	4088271
CNCC(C)C(=O)O	4088272
C#CCN1CCNCC1	4088275
CC1=C2N=C(N)NC2=CC=C1	4088279
CC1=NN=C(C(=O)O)O1	4088445
CC1=CN(C(C)CN)N=C1	4088448
O=C(O)CC1=NC2=CC=CC=C2O1	4088452
N[C@H]1C[C@H](O)C1	4088455
CCC(N)C1=NC=CC=C1	4088626
CC(C)C1NCCN(C)C1=O	4088631
CC(=O)C1=NC=C(C)C=C1	4088632
CC1=CC(C(C)N)=NC=C1	4088633
CC1=C(C2=CC(N)=CC=C2)C=CC=C1	4088799
NNC1=CC=C2COCOCC2=C1	4088800
CNC(C)C1=CC=C(Cl)C=C1	4088802
C1=NC=NC(C2CCNCC2)=C1	4088803
CC1=CNC(C(=O)O)=N1	4088804
CC1=C(CN)SC=C1	4088805
CN1CCC(C(=O)O)CC1	4088806
CC(C)CC1(N)CC1	4088974
O=C(O)C1=CC=CC(C2=NC=NN2)=C1	4088977
CN(C)CC1=NOC(CCl)=N1	4088978
CC1=C(N2CCCC2)C=CC(CN)=C1	4088979
CC1=NC2=CC=CN=C2N1	4089154
NC1CCN(CC(=O)O)CC1	4089155
C1=CC=C(OC2CNC2)C=C1	4089156
C#CCNC1CCCCC1	4089160
CN1N=CC=C1CCl	4089161
CCC1=NOC(CNC)=N1	4089163
NC1=C2NCCCN2N=C1	4089323
CC1=C(CCN)C2=C(C=CC=C2)N1C1=CC=CC=C1	4089326
CC1=NNC(N)=C1C1=CC(Cl)=CC=C1	4089327
CC1=CC=CN2C=C(C(=O)O)N=C12	4089331
CC1=CC=C(C2=CC=C(N)C=C2)C=C1.Cl	4102391
NC1CCN(C(=O)N2CCOCC2)CC1	4088109
NCCC1=NC(O)=CC(O)=N1	4088115
CC(C)(C)OC(=O)N1CCCCC1CCN	4088116
CC1CC2=C(C=CC(C(C)N)=C2)O1	4088117
OC1=CC=C2NC=NC2=C1	4088281
CCC1=C(N)NN=C1C	4088288
O=C(O)C1CC2=CC(Cl)=CC=C2N1	4088289
O=C(O)C1CCN(C2CCNCC2)CC1	4088458
CC1(C)CC1C(=O)NN	4088459
CCC1=NC(CCl)=CS1	4088461
OC1CCCNCC1	4088463
BrC1=CN(CC2CC2)N=C1	4088464
NC1CCN(C2CCOCC2)CC1	4088466
NC1=CC=C(C2=NC=CN2)C=C1	4088467
NC1=CC=C(CN2CCCC2)C=C1	4088638
COC1=CC=CC=C1CN1CCNCC1	4088641
CN1CCN(C2=CC(Cl)=NC(N)=N2)CC1	4088642
NCC(=O)NC1=CC(F)=CC=C1F	4088643
CC(C)C1=NOC(CCN)=N1	4088808
COC1=CC=C(C2=NOC(CCN)=N2)C=C1	4088809
CCN1C2=C(C=CC=C2)C2=C1C=CC(CN1CCNCC1)=C2	4088813
NCC1=CN=CN1C1CC1	4088816
CC1=NN2C=C(CN)N=C2S1	4088985
O=C1NCC2(CCNCC2)O1	4088986
OCC1=NC=CC(Cl)=C1	4088987
N#CCC1CCCNC1	4088988
OCC1=CSC(Br)=N1	4088989
CC1=CC=C2NC3=C(CNCC3)C2=C1	4088990
NC1=CC=CN=C1N1C=CN=C1	4088991
COCCN1C=NC=C1CO	4088992
CC1=NN(C(C)C)C(C)=C1N	4089166
CCOC(=O)C1(N)CCOCC1	4089168
O=C(O)CCCN1C=CN=C1	4089169
NC1CCN(C(=O)N2CCCC2)CC1	4089171
CNC(=O)C1=CC(C)=C(N)C=C1	4089172
CC1CNC(=O)CCN1	4089332
CNCC1=NOC2=C1CCCC2	4089340
BrC1=CC=C(CN2CCNCC2)C=C1.Cl	5862395
CSC1=CC=C(CN2CCNCC2)C=C1.Cl	5876184
CCN1C2=C(C=CC=C2)C2=C1C=CC(CN1CCNCC1)=C2.Cl.Cl	5878848
Cl.O=[N+]([O-])C1=CC(CN2CCNCC2)=CC=C1	5881261
CNC(=O)CCC1CCCNC1	4088118
O=C(O)C1CCCN(C2CCNCC2)C1	4088120
CCC1=NN=C(CN)S1	4088121
O=C(O)C1CC2=C(CN1)N=CN2	4088122
CCN1N=CN=C1N	4088125
COC(=O)C1=C(Cl)C=CC(N)=C1	4088127
NC1=NC(CCC(=O)O)=CS1	4088128
NCCCCCN1CCOCC1	4088294
CC1=CSC(CCCN)=N1	4088296
CN1CCC(N2CCC(C(=O)O)CC2)CC1	4088297
CNC(=O)C1(C)CCCNC1	4088298
N=C(N)CC1=NC=CC=C1	4088302
CC(C)NCC1=C(Br)C=CC=C1	4088303
NCC1CCCN(C2CCCCC2)C1	4088470
NCC(=O)N1CCCC1	4088472
CC1=C(C)SC(NN)=N1	4088477
CN1CCC2(CCCNCC2)CC1	4088645
OB(O)C1=CC=CC(CN2CCOCC2)=C1	4088646
CCC1(C(N)=O)CCNCC1	4088649
CC(N)C1=CC=C(C2=CC=CC=C2)C=C1	4088650
COC1=CC2=C(C=C1OC)C(C1=CC=CN=C1)NCC2	4088651
CNCC1CCCCC1	4088652
CC1=NN=C(CCN)S1	4088819
NC1CCCN(C(=O)C2=CC=CC=C2)C1	4088820
ClC1=CC=C(CNC2CC2)C=C1	4088822
C1=CC(C2CCNC2)=NN1	4088825
NCCC1=NN=C(C(F)(F)F)S1	4088826
CC(C)N1C=C(N)C=N1	4088827
NCC1=CN2C=CSC2=N1	4088997
N#CCC1=CN=CN1CC1=CC=CC=C1	4088998
O=C1CNCCN1C1=CC=CC=C1	4089000
CN(C)CC1=CC=C(C(=O)O)O1	4089001
COC(=O)[C@H]1C[C@H](N)C1	4089003
BrCCCN1C=CN=C1	4089177
NC1=CN=C(C2=CN=CC=C2)S1	4089179
NC1CCN(CC2CCCO2)CC1	4089180
CN(C)C1=NC=CC=C1N	4089183
CNCCN1C=C(C)C=N1	4089345
CN(C)CCN1CCC(N)CC1	4089346
BrCCN1C=NC=N1	4089347
CC1=CC(N)=CC(C)=C1O	4089353
CC(N)C1=CC(F)=C(O)C=C1	4089355
CC(CC(=O)O)N(C)C	4088130
NCCC1=CSC(N)=N1	4088132
CCOC(=O)C1=CC=CC(NN)=C1	4088133
CC1=CC(C)=NC(CN)=N1	4088137
CN1CCCC2(CCNC2)C1=O	4088305
CN1CC[C@H]2CNC[C@H]21	4088308
O=C(O)C1=CC=CN2C=NN=C12	4088309
CCOC1=CC=C(C(C)(C)N)C=C1	4088488
CN(C)CC1CCCC1=O	4088489
CC1=C(Cl)C=CC=C1NN	4088656
CC1=NNC(=O)C1CN	4088660
NCC1=NC2=C(C=CC=C2)N1	4088829
O=C(O)C1(O)CCNCC1	4088833
O=C(O)C1=NC2=CC=CC=C2O1	4088837
NC1=NC=C(CC2=CC=CC=C2)S1	4089006
NCC1=CC=C2C=CC=CC2=N1	4089010
CC1=CN(CCCCl)N=C1	4089011
CC(C)(CN)C(=O)O	4089012
FC1=CC=C(OC2CNC2)C=C1	4089015
NCC1=CC2=C(CCC2)N=C1	4089190
N[C@H]1COC[C@@H]1N1CCOCC1	4089194
ClCC1=CN2C=CC=CC2=N1	4089196
CN(C)C1=NC(CN)=CS1	4089358
CC1=NNC2=C1CNCC2	4089359
CC1=CC(N2C=C(CN)C=N2)=CC=C1	4089360
CC1=NN(CCN)C(C)=N1	4089366
NNC1CCS(=O)(=O)C1	4089367
[H][C@]12CCCCN1CCC[C@@H]2CO	4701243
CS(=O)(=O)N1CCCCC1CCN	4088140
NC1CCN(C2CCS(=O)(=O)CC2)CC1	4088145
CCOC1=CC=C(N)C=C1C(=O)O	4088146
OCCCNCC1=CC=CC=C1Cl	4088148
CCCNN	4088315
CCN(CC)CC1(N)CC1	4088316
OC1CNOC1	4088318
CC(C)C1=CC=NC(O)=N1	4088319
CC1=CC2=C(C=C1)NC1=C2CCCC1NCCO	4088320
CO[C@@H]1CNC[C@H]1O	4088324
NC1=C2CCCCC2=NN1	4088326
CC1=NNC(CO)=N1	4088491
NCC1=NOC=C1	4088492
CC1=CC2=C(C=CC(N)=C2)O1	4088493
CC1=CC2=CC=CC=C2N1CCN	4088496
CCC(N)C1=CC=C(O)C=C1	4088665
COCCC1=NC(CN)=NO1	4088668
COC1=CC=C(CC(=N)N)C=C1	4088669
CNC(=O)C1CCCCN1	4088672
CCC1=NNC(CC)=N1	4088674
NC(=O)CN1CCC(N)CC1	4088839
O=C(O)CCC1=CN2C=CC=CC2=N1	4088843
O=C(O)C1(CN2C=CN=C2)CC1	4088845
NNCC1=CC=C(Cl)C=C1	4088846
O=C(O)C1=CC=C(N2CCNCC2)C=C1	4088848
CCOC(C)CN	4089019
COC1=C(C2=CC=C(N)C=C2)C=CC=C1	4089020
COC(=O)CCC1CCNCC1	4089021
C1=CC=C(CNC2CCCC2)C=C1	4089022
NCC1CCS(=O)(=O)C1	4089023
NCC1C2CC3CC(C2)CC1C3	4089024
COC1=C(N)C=CN=C1Cl	4089025
N=C(N)NCC1=CC=CC=C1	4089197
NCCC1=NC=CC(C2=CC=CC=C2)=N1	4089201
COCC1=NOC(CCN)=N1	4089204
CN(C)CCC(N)C1=CC=CC=C1	4089206
CNCCC1=NC2=CC=CC=C2N1	4089372
COC(=O)CN1CCC(N)CC1	4089378
CC1=NOC(C2CCCCN2)=N1	4089380
Cl.Cl.NCC1=NC=NC=C1	4102725
O.O=C(O)C1CN2CCC1CC2	5181742
CC(C)C1=NOC(C2CCNCC2)=N1	4088152
CC1=CC(=O)C(C(=O)O)=C(C)N1	4088153
CN1N=C(N)N=C1N	4088159
CS(=O)(=O)CCN1CCC(N)CC1	4088160
C1=NNC2=C1CCC2	4088327
NCCC1=CN2C=CC=CC2=N1	4088328
O[C@H]1CNC[C@@H]1N1CCOCC1	4088331
ClCCN1CCN(C2=CC=CC=C2)CC1	4088333
CC(C)CC(C)(C)N	4088334
C1CN(C2CNC2)CCO1	4088335
CN1CCN([C@H]2COC[C@@H]2N)CC1	4088336
N=C(N)C1=CC=CO1	4088503
CC1=CC=CC(C2=CC=C(N)C=C2)=C1	4088505
NCC1=CC(OCC2=CC=CC=C2)=CC=C1	4088506
CC1=CC(C)=NC(=O)N1CC(=O)O	4088507
O=C(C1CCCNC1)N1CCOCC1	4088508
CCN1C=C(N)N=N1	4088511
CC1=NC2=C(CCNCC2)C(=O)N1	4088680
CCNC1CCCC1	4088683
C=CCNCCC	4088685
CN(C)C(=O)C(N)C1=CC=CC=C1	4088686
CC(NCC1=CC=CC=C1)C(=O)O	4088850
N=C(N)NC1CCCCC1	4089027
CC1=C(C)SC(C(C)N)=N1	4089031
CC1=CC=CC2=NC(CN)=CN12	4089036
CNCC1=NOC(C2CC2)=N1	4089209
CC1(N)CCS(=O)(=O)C1	4089211
NC1=CN=C(OC2=CC=C(F)C=C2)C=C1	4089212
CC(C)(C)C(=O)CN	4089213
C1=NN=C2CCCCN12	4089217
CNC(=O)CCCN	4089383
CN1C(=O)C(N)C2=C1C=CC=C2	4089387
CC(C)C1=NNC2=C1CNCC2	4089389
CNCC1CCCC1	4089391
Cl.Cl.NCC1=C(C2=CC=CC=C2)N=CS1	4102814
CC1CN(C2=CC=C([N+](=O)[O-])C=C2Cl)CCN1.Cl	5200236
CN1CCC(O)(CN)CC1	4088161
CC(C)N1N=C(C(=O)O)C2=C1CCNC2	4088165
NCCN1C(=O)CCC1=O	4088170
O=C(O)C1CCSCN1	4088340
NC1=CC=CC(C2=CC(F)=CC=C2)=C1	4088343
CC(C)O[C@H]1CNC[C@@H]1O	4088346
NC1=CC=C(OCC(O)CN2C=CN=C2)C=C1	4088347
CC1=NC=CN1C(C)C(=O)O	4088349
CC1=C(CN)SC(C(C)C)=N1	4088350
O=C(O)CC1=NN=C(C2=CC=CC=C2)N1	4088512
CCCC1=NC(CN)=CS1	4088517
NC1=CC(F)=C2OCC(=O)NC2=C1	4088519
CC1=NNC(C(C)C)=C1Br	4088688
C1CC(CN2CCOCC2)CCN1	4088689
NCC1=NOC=N1	4088690
NCCCN1C=NC=N1	4088691
CCOC1=CC=C(C(C)N)C=C1OCC	4088693
[H][C@]12CCCCN1CCC[C@H]2C(=O)O	4088695
CN(C)C(=O)CN	4088697
CN1CCN([C@H]2CNC[C@@H]2O)CC1	4088862
NCC(=O)NC1CC1	4088865
C1CNCC(CN2CCCC2)C1	4088866
CN(C)C1=NC=CC=C1CO	4088867
COC1=CC(OC2CNC2)=CC=C1	4088868
NCCN1CCCC1=O	4088871
CC(C)NCC(F)(F)F	4089038
CC(C)S(=O)(=O)CCN	4089039
NC1=NC2=C(F)C=C(Cl)C=C2S1	4089040
CC(C)(C)C1=NOC(CN)=N1	4089044
CNC(C)C(C)(C)C	4089219
CC1=CC=C(N2CC(N)CC2=O)C=C1	4089222
CCN1CCC(C(=O)O)CC1	4089226
NCCC1=NC(C2CC2)=NO1	4089227
CNCC1CCC1	4089393
CCCC1=NNC=N1	4089398
O=C1NC(=O)[C@H]2CNC[C@@H]12	4089400
N=C(N)C1=CC=C(F)C=C1	4089401
C=CCN1CCC(CN)C1	4089402
CNCC1=C(C)N=C2C=CC=CN21.O=S(=O)(O)O	4102993
CCOC1=CC(C)=NN1	4088174
CC1=NC(C2CCNCC2)=CC=N1	4088175
CSC1=CC=C(C(=N)N)C=C1	4088176
O=C(N1CCCNCC1)C(F)(F)F	4088177
CC1=NC=CC(NN)=C1	4088178
CCCNC1CCCC1	4088182
NCCN1CCCCC1=O	4088353
CC(C)(C)CNN	4088354
CN1C=NN=C1CCN	4088356
NC1=CC(N2C=CC=N2)=CC=C1	4088357
CCC1=NOC(CN)=N1	4088358
CC1=NC(CCCl)=CS1	4088359
NC1=CC2=C(C=C1)NN=C2O	4088362
CC1(N)CCCC1	4088523
NC1(C2=CC=C(Cl)C=C2)CC1	4088527
C#CCNCC1=CC=C(OC)C=C1	4088531
NCCCC1=NN=C(N)S1	4088698
CCN1C=CN=C1CC#N	4088699
NCC1=CSC(N2CCCC2)=N1	4088701
CNC(=O)[C@@H]1CCCN1	4088702
NCCC1=NC2=C(C=CC=C2)S1	4088703
CCOC1=C(CN)C=CC=C1OC	4088704
CC1=C(N)C(N2CCCC2)=NN1C	4088705
NC1=CC=CC=C1OC1=C(F)C=CC=C1	4088706
NC1CCN(C2=NC=CC=N2)CC1	4088707
CNCC1=CC=NN1	4088708
CNCCC(=O)NC	4088709
CCOC(=O)C1CC2=CC=CC=C2CN1	4088875
CC1=NC2=C(C=CC(CN)=C2)N1C	4088876
CC1=CC=CC=C1C1(N)CC1	4088878
COC(=O)[C@@H]1C[C@@H](N)CN1C	4088881
FC(F)(F)C1=NN=NN1	4089049
C1CNOC1	4089053
C#CCOC1=CC=C(N)C=C1	4089055
CNCC1=CSC(C(C)C)=N1	4089056
CNCC1=NC(C2=CC=CC=C2)=CS1	4089231
CC1=CSC(CCl)=N1	4089233
NCC1=NC(C2=C(Cl)C=CC=C2)=NO1	4089234
CN1C=CN=C1C(O)C1CCNCC1	4089236
CSC1=CC=CC(CN)=C1	4089405
NCC1=NNC(=O)N1	4089406
NC(=O)C1=NNC(N)=C1	4089407
O=S1(=O)CCNCC1	4089409
NC(=O)CCC1CCNCC1	4089411
C1=CC2=C(C=C1)C1=C(C=CC=C1)CNC2.Cl	5542756
CC1=NC2=NC(CC(=O)O)=NN2C(O)=C1.O	5567063
CN(C)CCC1CCCNC1	4088185
N=C(N)CF	4088189
CC1=CC=C(N)C=C1C(C)C	4088194
CC(N)C1=C(O)C=CC=C1	4088363
NCCN1C=NN=C1	4088364
OC1=NNC2=C1CCNCC2	4088367
N=C(N)C1=CC(F)=CC=C1	4088368
CC1=CC2=NC(C(=O)O)=CN2C=C1	4088370
CCOC(=O)C1=CC=C(CN)O1	4088372
COC(=O)C1=NNC(N)=C1	4088532
CN(C)CC(O)CN	4088537
CC1=CC2=NC(CN)=CN2C=C1	4088538
C1CN(C2CCOCC2)CCN1	4088539
C1=CC(C2CCCNC2)=NN1	4088710
CNCC1=NC=CN1C	4088714
NCC1=CN2C=CC=NC2=N1	4088716
CC1=NC(CCN)=NO1	4088883
CC1=NC=CN1CCCl	4088886
COC1=C(C)C(CN)=NC=C1C	4088887
CNCC(C)(C)C	4088888
CC1=NC2=CC(O)=CC=C2N1	4088891
CC1=CN2C(Br)=CC=CC2=N1	4088895
COC(=O)[C@H]1C[C@@H](N)C1	4089064
C=CCN1CCC[C@H]1C(=O)O	4089068
CN1CCN(C2CCNC2)CC1	4089070
CC1=CC=CC(NN)=N1	4089071
NC1=CC=C(CCN2CCCC2)C=C1	4089243
CN(C)C1=NC=CC(CO)=C1	4089246
CC1=CC=CC2=C1NC=C2CCN	4089247
NCCC1=NNC(N)=N1	4089251
CC1=NC=CC(CCl)=C1	4089416
CC1=C(B2OC(C)(C)C(C)(C)O2)C=NC(N)=C1	4089417
COCC1=NC(C(=O)O)=CC=C1	4089419
CCOC1CCNC1	4089420
ClCCCN1C=CC=N1	4089421
FC1=CC=CC=C1OC1CNC1	4089423
CC1=CC(C)=NC(CCN)=N1	4089424
NCC1=NC(C2=CC=NC=C2)=NN1	4089425
Cl.O=C(NCCC1=CC=CC=C1)C1CCNCC1	6578104
O=C(O)[C@@]12CCCCN1C[C@H](O)C2	4110564
NCCOC1=CC=C(Cl)C=C1	4088197
C1=CC(C2=NNC=C2)=CC=N1	4088373
CC(C)N1CCOC(CC(=O)O)C1	4088374
CCCC(N)C1=CC=CC=C1	4088376
CC(CN)N1C=CN=C1	4088378
CC1=CC2=C(C=C1)NC(Cl)=N2	4088382
C1CNCCOC1	4088544
NCCCN1C=CN=N1	4088545
O=C(O)CCC1CCCCN1	4088548
CC(C)(O)C1=CC(Br)=CN=C1	4088552
CCOC(=O)C1(N)CCCC1	4088553
C1=CN(CC2CCCNC2)C=N1	4088721
CCC1=CC(CC)=C(N)C(CC)=C1	4088723
CN1C=NN=C1C1CC1	4088724
NC1(C2=CC=CC(Cl)=C2)CC1	4088725
N#CC1=NN2CCCNCC2=C1	4088726
NNCC1=CC=CC(Cl)=C1	4088727
CC(C)C1=NOC(C2CCCCN2)=N1	4088728
CC1=C(CCl)N=CC=C1	4088897
CCN1C(=O)OC2=CC(N)=CC=C21	4088900
CN1C=NC=C1CCl	4088903
CC1=C2NC3=C(CNCC3)C2=CC=C1	4088904
CC(C)(C)C1=CC=C(OCC(O)CN)C=C1	4088905
CN1CCC(C)(C=O)CC1	4089075
ClCC1=CN=CS1	4089081
CC1=CN=C(O)N=C1C	4089252
CC1=NC2=C(C=C(NN)C=C2)S1	4089253
CNCC1=CC(C)=NO1	4089254
ClCC1=CSC=N1	4089258
CC1=CC2=C(C=CC(N)=C2)N1C	4089427
NCC1CCC(=O)N1.O=C(O)C(=O)O	4111537
CN1C(=O)CCC1CN.O=C(O)C(=O)O	4111538
Cl.O=CC1=CC=C(OCCN2C=CN=C2)C=C1	9071050
CCN1CCCCC1C(=O)O	4088207
CC1=C(NN)C=CN=C1	4088209
CCN(CC)CC(=O)O	4088211
CC1=CC=CC2=C1N=C(CN)O2	4088213
CC(C)(C)OC(=O)N1C[C@H](N)[C@@H](O)C1	4088214
CNC1=NC(C(=O)O)=CS1	4088392
NCC1=CNN=C1C1=CC=C(Cl)C=C1	4088556
C1=NC(C2CCNCC2)=NO1	4088558
NC1CCN(C(=O)C2CC2)CC1	4088564
NC(=O)[C@@H]1CC=CC[C@H]1N	4088735
CC(N)C(F)(F)F	4088740
CC1=NC(CCBr)=CC=C1	4088742
NCC1=CSC2=NCCN12	4088906
CC1=NC2=C(CNC2)C(=O)N1C	4088910
CN1CCN(S(=O)(=O)Cl)CC1	4089082
CN(C)CC1=CC=C(CN)C=C1	4089084
CNC(=O)C1=CC=C(CN)C=C1	4089085
CS(=O)(=O)NC1CCNCC1	4089086
COC(=O)[C@@H]1C[C@H](N)CN1C	4089087
CN(C)C(=O)C1=CC=C(CN)O1	4089088
NCCS(=O)(=O)N1CCCC1	4089092
CC1=NN(CC(=O)O)CC1	4089093
CC(=O)N1CCCC(N)C1	4089265
CN1C(C2CCCN2)=NC2=C1C=CC=C2	4089270
NCCC1CCN(CC2=CC=CC=C2)C1	4089440
CC1NC(C)(C)CC2=C1C=CC=C2	4089441
NCC1=CC=CC=C1OCC1=CC=CC=C1	4089444
C(#CC1=CC=CC=C1)CNC1CC1	4089445
CCC1=CC(N2CCNCC2)=NC=N1	4089446
CC(N)C1=NN=C(CC(=O)O)N1.Cl.Cl	4141167
CNCC1=CC2=CC=CC=C2S1	4090886
COCC(C)(C)CN	4090889
CNCC1=C(C)ON=C1C	4090890
CN(C)C1CCCNC1	4090893
CC(C)C(=O)NCCN	4090894
NCCNC(=O)C(F)(F)F	4091072
C1=CC=C(CN2CCCC3(CCCNC3)C2)C=C1	4091075
COCC1CCCNC1	4091076
O=C(O)C1=NNC(Cl)=N1	4091079
CC1=CN2C(N)=CC=CC2=N1	4089623
NCC1=CC2=CC(F)=CC=C2N1	4089627
CN(C)S(=O)(=O)CCN	4089628
NCCC1=NOC(C2CCC2)=N1	4089802
CN1N=CC(N2CCNCC2)=CC1=O	4089805
NCC1=CC=C(C(=O)O)O1	4089807
NC1CC(=O)NC2=CC=CC=C21	4089977
COCC1(CN)CCCC1	4089979
CN(C)CC1=CC=C(C(=O)O)C=C1	4089981
CC(C)CC(=O)N1CCNCC1	4089982
CCC1=NNC(N)=C1C	4089985
C#CCNCC1=CC=CC=C1	4089987
CC(N)C1=NC(C2=CC=CC=C2)=NO1	4089988
N#CC1(N)CCCC1	4090153
CNCC1=NN=CN1C	4090157
O=C(O)CCC1CCNCC1	4090158
CN[C@H]1COC[C@@H]1O	4090162
CC1=NN(C)C(C)=C1C(N)C(=O)O	4090331
CN(C)C1(CN)CCCCC1	4090333
NCCCC1=C(F)C=CC=C1	4090517
NCC1=NC2=C(CCCC2)S1	4090518
CNC(=O)CN1CCNCC1	4090520
CCC1=NOC(CN)C1	4090521
CN(C)C(=O)CCC1CCCNC1	4090523
NC1(C2CCCCC2)CC1	4090524
COC1=CC(OC)=C(CCN)C=C1	4090703
NCC1CC(=O)N(C2=CC=CC=C2)C1	4090704
NCC1CCCN(C2=NC=CC=N2)C1	4090708
CC1=NC2=C(C=CC=C2N)N1	4090711
CNCC1=NNC(C)=C1	4090898
NCCCN1CC2=CC=CC=C2C1	4090899
COC(=O)CN1CCNCC1	4090906
NC1CCN(CC2=CC=C(F)C=C2)CC1	4091084
O=C(O)C1CCN(CCO)CC1	4091086
COCC(=N)N	4091089
NCC1=CN=C2C=CC=CN12	4089465
C1CCC(CNCC2CCCO2)CC1	4089634
NCC1=NC2=CC=CC=C2S1	4089635
CNC(C)C(C)C	4089636
COC1=CC=C(C(C)(C)N)C=C1	4089640
CC(C(=O)O)C1CCNCC1	4089641
COCC(C)NCC1=CC2=C(C=C1)OCO2	4089642
CC1=CC=C(NS(C)(=O)=O)C=C1N	4089812
ClCC1=NC=CS1	4089816
CCO[C@H]1COC[C@@H]1N	4089819
CC1=C(CNN)C=CC=C1	4089820
CC(=O)C1=C(C)SC(C)=N1	4089989
CC1=CC=CC(C)=C1OCCN	4089990
O[C@H]1COC[C@@H]1N1CCCNCC1	4089991
CN1C(C2CCCNC2)=NC2=C1C=CC=C2	4089992
NCC1=CSC2=C1CCCC2	4089995
ClCC1=CN=CN1C1CC1	4089997
NCC1=CC(C2=CN=CC=C2)=NO1	4089998
[H][C@]12CCCCN1CCC[C@H]2CCC(=O)O	4090164
CC1=NN=C(CN)O1	4090166
CC1=C(CCCN)SC=N1	4090167
NCCN1C=CN=C1	4090168
COCC(=O)NC1=CC=C(N)C=C1	4090169
NCC(=O)NC1=CC=CC=C1Br	4090170
CCC1=NOC(C(C)N)=N1	4090172
CC1=NC=CN1CC1CCNCC1	4090340
CN1CCC(CBr)C1	4090341
ClCC1=NC2=C(C=CC=C2)S1	4090343
N=C(N)C1=CC=C(Br)C=C1	4090345
CCC1=NNC2=C1CNCC2	4090347
C1CCN(C2CCNC2)C1	4090349
CC(C)(N)CCC(=O)O	4090529
FC1=CC=CC=C1COC1CNC1	4090532
COC1=CC=C2N=C(CCN)NC2=C1	4090536
CC1=CC=CC(=O)N1CCCN	4090713
CCC(N)C(=O)NC	4090715
CCS(=O)(=O)CCNC	4090716
COCC(C)NCC1=CC(F)=CC=C1F	4090717
CNC(=O)C(N)C1=CC=CC=C1	4090718
CC(C)OC1=C(Cl)C=C(N)C=C1	4090719
NC1=NC(C2CCNCC2)=CC=N1	4090720
C1CCN(C2CCNC2)CC1	4090723
O=C1CNCC(=O)N1	4090724
CN(C)[C@H]1CN[C@H](CO)C1	4090908
CC1=C(CCN)C2=C(C=CC(Cl)=C2)N1	4090909
O=C1CNCCN1CC1=CC=CC=C1F	4090911
CC(C)(C)CN1CCC(N)CC1	4090912
CC1=NC=CN1CCBr	4090913
CNC(=O)C1CCCNC1	4090914
NCC1=NOC(C(N)=O)=N1	4090917
CC(C)N1C=CN=C1CN	4091096
CC(C)(C)OC(=O)N1C=CC2=CC=C(CN)C=C21	4091097
CNS(=O)(=O)C1=C(N)C=CC=C1	4091100
CC1=NC(CN)=CC(O)=N1	4091101
CC(N)C1=CN(C)C2=CC=CC=C12	4091104
C1CCC(CNC2CCCCC2)CC1	4089469
CN1CCN(CC2CCNCC2)CC1	4089470
O=C(O)C1=NN=C2CCCCN21	4089647
CC1=C(Cl)C(N)=CC=C1Cl	4089648
C1=CN=CC(N2CCNCC2)=C1	4089652
CCN1C=C(N)C=N1	4089653
COC(=O)CC(N)C1=CC=CC=C1	4089654
CC(N)C1=NC(C2CC2)=NO1	4089655
CN1C=CN=C1CC#N	4089824
COC1=CC=C(CNCCO)C=C1	4089826
CC(C)(C(=O)O)N1CCOCC1	4089829
NCC1=NC=CN1	4089830
COC1=CC(CNN)=CC=C1	4089831
CS(=O)(=O)N1CCOC(CN)C1	4089832
CC1=C(C)SC(CN)=N1	4089833
CC1=NON=C1OCCN	4089999
N#CC1=CC(CCl)=NC=C1	4090000
NNCCCO	4090002
COC(=O)C1(C)CCCCN1	4090003
CCCSC1=CC=C(N)C=C1	4090004
CC1=C(N)N(C)N=C1C1=CC=CC=C1	4090005
NCCC1=CN2C=CSC2=N1	4090006
NCC1=NNC(=O)C2=CC=CC=C21	4090008
CC(C)SC1=CC=CC=C1N	4090176
CC1=NN(CCO)C(C)=C1N	4090182
COC1=CC(CN2CCNCC2)=CC=C1	4090351
CC1=NC(C2CCCNC2)=NO1	4090354
C1=CNC(C2CCCNC2)=N1	4090356
CN1CCC(O)(C(=O)O)CC1	4090361
CC(C)N1CCC(C(=O)O)C1	4090537
CN1CCN(C)C(CC(=O)O)C1	4090539
NC1CC(=O)N(CC2=CC=CC=C2)C1	4090540
CC1=NOC(C)(CN)C1	4090725
CNCC1=NC=CS1	4090726
NCCOCC1=CC=C(Cl)C=C1	4090731
C1=CN=C(C2NCCC3=C2NC=N3)C=C1	4090732
CN1CCC(CCl)CC1	4090733
CC1=NC(C)=C(CCl)S1	4090734
CC1=CN=C(O)N=C1	4090925
NCCCN1C(=O)CCC1=O	4090927
NCC(O)C1=C(Br)C=CC=C1	4090928
COCCNCC1=CC=C(F)C=C1	4090929
NNC1=CC=C2OCOC2=C1	4091107
CS(=O)(=O)CCN1CCNCC1	4091113
NC1CCN(C2CCCC2)CC1	4091115
CC1(C)C(CN)C1(C)C	4089484
CNC1CC2=CC=CC=C2C1	4089485
CN1C=CC2=C1C=CC=C2C(=N)N	4089660
FC1=CC(OC2CNC2)=CC=C1	4089661
NCC1=C(O)C=C(O)C=C1	4089662
NC1CCOCC1	4089666
COC1=CC=C(C2=CC=C(N)C=C2)C=C1	4089835
CN(CC(=O)O)C1=CC=CC=C1	4089836
C=CCC(N)(CC=C)C1=CC=C(C)C=C1	4089837
CCOC(=O)CC(N)CC(C)C	4089839
CC(C)CC(=N)N	4089840
CC(N)(C(=O)O)C1=CC=CC=C1	4090016
CCC1=C(CN2CCCC2)C=C(C(=O)O)O1	4090020
CNC1=NC=CC=C1C=O	4090184
C1=CN(C2CNC2)N=C1	4090186
CN1C(=O)[C@@H]2CNC[C@@H]2C1=O	4090187
COC1=C(C2=CC(N)=CC=C2)C=CC=C1	4090189
CCC1C=CCN1	4090190
NCC1=NC2=CC=CC=C2C(=O)N1	4090191
CCOCC(C)(C)N	4090193
NCCC1=NOC(C2CCCO2)=N1	4090362
CC1(N)CCCCC1	4090363
CNCC1=CC2=CC=CC=C2N=C1	4090364
NCC1=C(C2=CC=CC=C2)N=CS1	4090372
CN(C)C1=NC(Br)=NN1C	4090558
CC(N)C1=C(Cl)C=CC=C1	4090561
CN(C)C1=NC2(CCNCC2)C(=O)N1	4090738
CCCC(C)NCC	4090739
COCC1=NC(C)=C(CN)S1	4090742
CCC1=NOC(CCN)=N1	4090743
CN(C)C(=O)C1=CC=CC=C1N	4090746
CC1=NOC([C@@H]2CCCN2)=N1	4090748
CC(C)CNCCO	4090750
CCCN1CCNCC1=O	4090931
CCN1C[C@H](N)[C@@H](OC)C1	4090932
FC1=CC=C(OC2CCNCC2)C=C1	4090936
C1=CN=CC(CNC2CC2)=C1	4090937
CC(C(=O)O)N1CCC2=C(C=CC=C2)C1	4090938
CC1=NC2=C(C=CC(CN)=C2)N1	4091117
CC1=NN=C(CCC(=O)O)N1	4091122
CCC(C)NC(=O)C1CCNCC1	4091123
CC1=CC2=NC(C(=O)O)=C(F)N2C=C1	4091124
CCNCC1CCCCO1	4091125
COC(=O)C1=CC=CC(OCCN)=C1	4091126
CNCC1=C2C=CC=CC2=C(OC)C=C1	4089490
NC1=NNC(C2=CC=NC=C2)=C1	4089493
CN1CCCCC1C(=O)O	4089496
O[C@H]1CNC[C@@H]1N1CCCCC1	4089499
NC1CCCN(C2=NC=CN=C2)C1	4089676
NCC1=CCCCC1	4089848
NCC1=CC(O)=NC=N1	4089851
CC1=CC=C(C2=NOC(CN)=N2)C=C1	4089852
CN1CCNCC1C1=CC=CC=C1	4089853
CCNC1CS(=O)(=O)CC1O	4089855
COC(=O)C1CN(C)CCC1=O	4090023
CCOCC1(CN)CCC1	4090024
CC(C)OC1=C(C(F)(F)F)C=C(N)C=C1	4090025
COCC1=NOC(CN)=N1	4090026
CN1CCCC1CN	4090027
CC1CNCCO1	4090031
CNC(C)CC(=O)O	4090195
CC1=CN2C=CC=C(C(=O)O)C2=N1	4090197
ClCC1CCN(CC2=CC=CC=C2)C1	4090198
CCO[C@H]1CN(C)C[C@@H]1N	4090375
CN(C)C1=C(C(F)(F)F)C=C(N)C=C1	4090376
CCN1C(=O)C(N)C2=CC=CC=C21	4090377
O=C1CCNCCN1	4090378
BrC1=CC=CC(N2CCNCC2)=N1	4090379
CC1=C(CN)C=C(C(=O)O)O1	4090563
NC/C=C/C1=CC=CC=C1	4090564
NCC1=NOC(C2=CC=CO2)=C1	4090567
CN(CCO)CC1=CC=CC(N)=C1	4090571
CCC1=NC2=C(C=CC(N)=C2)N1C	4090575
CCN1C(=O)COC2=CC(N)=CC=C21	4090754
CC1=CSC2=NC(CN)=CN12	4090755
CN(C)C(=O)C(C)(C)N	4090756
CC(=O)CC1=CC=CN=C1	4090943
NCC1=NN=C2C=CC=CN21	4090945
CC1=CN(CC2CCNCC2)N=C1	4090947
COC(=O)[C@@H](N)CSC	4090948
CCC1=CN=C(O)N=C1	4090949
C1=CC=C(C2=NOC(C3CCNCC3)=N2)C=C1	4091127
COC(=O)[C@@H]1C[C@@H](N(C)C)CN1	4091129
O=C(O)CCCN1CCCC1	4091130
NCCC1CCS(=O)(=O)C1	4091131
O=C1OCC2(CCNCC2)O1	4091132
C[C@H]1CCC[C@@H](C)N1CCN	4091134
NC(CN1C=CC(=O)NC1=O)C(=O)O	4089502
OCC1(O)CCCNC1	4089505
COC(=O)C(NC1CCCCC1)C1=CC=CC=C1	4089506
CCN1C=C(CCl)C=N1	4089507
CN1C(=O)N(C)C2=C1C=CC(CN)=C2	4089677
BrC1=CC(C2CCCN2)=CC=C1	4089679
CC(C)C1=CNC(=O)N=C1	4089680
CCOCCNC	4089681
NC1C(=O)NC2=C1C=C(Br)C=C2	4089683
N=C(N)CC1=CC=CN=C1	4089686
CCC1(C(=O)OC)CCCN1	4089857
CNC(=O)C1=C(F)C=CC(N)=C1	4089864
CC(CC(=O)O)N1CCCCC1	4089868
CC(C)N1CC(N)CC1=O	4090034
COCCC1=NOC(CN)=N1	4090035
CN(CC1=CC=CC=C1)C1CCNCC1	4090039
CCN1N=CC(N)=C1C	4090041
CC1(C(=O)O)CCNCC1	4090206
CO[C@H]1CN(C)C[C@@H]1N	4090386
CSCCN1CCC(N)CC1	4090387
CNCCC(N)=O	4090391
COCC1CCCCN1	4090582
C1=CC=C(C2CCCNCC2)C=C1	4090584
NCC1=NC(CC2=CC=CC=C2)=NO1	4090586
CC1=CC=CC(C(N)C2CC2)=N1	4090587
NCC1(C(=O)O)CCCC1	4090763
C1=CC=C(OC2CCNC2)C=C1	4090765
CCOC1=NC=CC=C1CN	4090766
CC1=C(CCl)N=CN1	4090770
CC1=NC(C2CCNCC2)=NO1	4090771
CN1CCC(C2CCNCC2)CC1	4090956
CCN1N=C(CO)C2=C1CCNC2	4090958
FC1=CC2=C(C=C1)NC(C1CCCCN1)=N2	4091138
CC(C)C(N)C1=NC=NN1C	4091139
CCC1NCCNC1=O	4091140
CC1=NC(C2=CC=C(CN)C=C2)=NO1	4091146
ClC[C@H]1CCCN1CC1=CC=CC=C1	4089512
CC1=CNC(CN)=C(C)C1=O	4089515
CS(=O)(=O)N1CCCC(CN)C1	4089517
[H][C@@]12C=C[C@@]([H])(O1)[C@@H](C(=O)O)[C@H]2N	4089690
CNCCN1C=CN=C1	4089691
CC1=C(CBr)SC=N1	4089692
NCCC1=C2CCCCC2=NN1	4089698
CC1(CO)CCNCC1	4089699
NC1=NC(N2CCNCC2)=CC(=O)N1	4089869
COCCC1=NOC(C(C)N)=N1	4089870
NCCN1CCCOC1=O	4089871
NC1CCCN(C(=O)C2CC2)C1	4089873
CCC1=NC(CN)=CS1	4089874
NCCC1=NC(C2=CC=CC=C2)=NO1	4089877
NCC1=CC2=NON=C2C=C1	4090044
CC1=NC=C(CCl)N=C1	4090045
NCC1=CC2=CC(Cl)=CC=C2N1	4090049
CC1=CC=CC(C(N)C2=CC=CC=C2)=C1	4090223
NNC1=CC=C2OCCOC2=C1	4090224
BrCCCC1=CC=CN=C1	4090397
CCCC1(N)CC1	4090398
CNCC1=CC2=C(C=C1)OCO2	4090399
BrCC1=CN=CC=C1	4090400
CC1=C(CCN)SC=C1	4090401
CC1=NC(CCN)=CC(O)=N1	4090402
CN1N=C(C(=O)O)C2=C1CCNC2	4090409
CCC1=NC(CN)=NO1	4090589
CNC1CCSCC1	4090591
NC1=NN=C(C2(N)CCCCC2)S1	4090594
CCN1CCN(S(=O)(=O)Cl)CC1	4090598
OCCCNCC1=CC=CS1	4090774
NCC1CCN(C2=CC=C(F)C=C2)C1	4090775
CC1(C)CCNCC1	4090776
CC1(C(=O)O)CCCN1	4090777
CNCC1=NC2=CC=CC(C)=C2N1	4090778
NCC1=NOC(CC2=CC=CS2)=N1	4090780
CN(C)C(=O)CCN	4090962
CC(C)C(N)C1=CC=CN=C1	4090963
CC1=CN=C(N)C(C)=C1	4090966
ClC1=CC2=C(C=C1)OCCNC2	4090968
CC1=C(C)N=CC(C(=O)O)=C1	4091150
CNC1(C(=O)O)CCCC1	4091153
NC1=CC(C2=CC=CC=N2)=NN1	4091156
NCC1(O)C2CC3CC(C2)CC1C3	4091157
CC(CCN)C1=CC=CC=C1	4091158
COC1=CC(C2=NNC(N)=C2)=CC=C1	4089524
CC(N)C1=CC=C(F)C=C1F	4089525
NCCC(=O)NC1=CC=CC=C1	4089528
CCC1(C(=O)O)CCNCC1	4089530
CN(C)C(=O)CCCN	4089531
COCCNN	4089703
CC(N)C1=CC=C(S(C)(=O)=O)C=C1	4089704
NC1=CC=CC2=C1OC1=C2CCCC1	4089705
NCCC(=O)NC1=NC=CS1	4089711
C1C[C@@H]2CNC[C@H](C1)C2	4089880
CN(C)CCC(=N)N	4089883
CC(C)C(=O)N1CCC(N)CC1	4089884
C1CNCC(N2CCCC2)C1	4089885
FC1=CC=C(N2CCCNCC2)C=C1	4089887
NCCCC1=CSC(N)=N1	4090057
CC(C)N1C[C@H](N)[C@@H](O)C1	4090059
CN1CCNCC1=O	4090061
CNCC1=NC2=CC=CC=C2C(=O)N1	4090062
CCC1=CSC(N)=N1	4090225
CN1C=NC2=CC(C(=O)O)=CC=C21	4090228
NCC1=CC=C2OCCCC2=C1	4090229
CC1=NC(C)=C(CN)S1	4090230
COCC1CCNCC1	4090236
CCNCCCC1=CC=CC=C1	4090411
[H]N([H])CC1CCC1	4090412
NC1CC(=O)N(C2=CC=C(Cl)C=C2)C1	4090413
O=C(O)CCCN1CCCCCC1	4090418
CCCCC(=N)N	4090419
CC1=CC=C(C2(N)CC2)C=C1	4090420
CCC1(C(=O)OC)CCNCC1	4090599
CC(C)OC1=C(N)C=CC=C1Cl	4090602
NCC1=CSC(C2=CC=CC=C2)=N1	4090603
CCC(=O)N1CCC(N)CC1	4090605
CC1NCCN(C2=CC=CC=C2)C1=O	4090607
CC1=C(C)OC(N)=N1	4090608
CC(C)(N)C1=NN=C(N)S1	4090609
CCC(N)C1=NC=CS1	4090783
NCCCN1C=CC=CC1=O	4090788
NCC1=CC=CC=C1C(=O)O	4090789
ClC1=CC=CC=C1OC1CNC1	4090792
CC(N)C1CCCC1	4090794
CN1CCCC(CBr)C1	4090971
N=C(N)C1=CNC2=CC=CC=C21	4090974
CC1=CC2=C(O1)C(N)=CC=C2	4090979
CCOC(=O)CC(N)C(C)C	4091162
CN(C)CC1=CC(CN)=CC=C1	4091163
NCCCC1=NC=CN1	4089532
CC(Br)C(=O)NC1=CC=CC=N1	4089535
NC(=O)C1=C(Br)C=CC(N)=C1	4089536
NCCC1=NC(CC2=CC=CC=C2)=NO1	4089537
ClCC1=CNC=N1	4089538
CN1C=C(Br)C(C2=CC=CC=C2)=N1	4089540
CN1N=CN=C1CCN	4089541
O=C(O)C1CCN(C2CCCC2)CC1	4089718
NC(=O)C1=C(N)C=NN1	4089719
CC1=CN=C(CN)C=C1	4089721
CC1=C(C)SC(CO)=N1	4089722
CN1CCNCC1C(=O)O	4089723
CN(C)CCOC1CCNCC1	4089892
CCC1=NC(CCN)=NO1	4089894
CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](N)C1	4089895
CC1=C(C(=O)O)SC2=NCCN21	4089898
CC(C)CNC1CC1	4090064
ClCCC1=NC=CN1	4090066
CN(C)C(=O)C1=CC=C(CN)C=C1	4090069
O=C1C=C(C(=O)O)C2=CC=CC=C2N1	4090070
NCCS(=O)(=O)C1=CC=C(F)C=C1	4090073
COC1=CC=C2N=CC(N)=CC2=C1	4090074
NC1CCN(CCO)CC1	4090242
O=C(O)CC1CCCN1	4090243
NCC1=NN=C2CCCCN12	4090422
CC1=NC2=CC(NN)=CC=C2S1	4090423
CN1C=NN=C1C1CCNCC1	4090428
NC1=CC=C2C(=C1)N=CN2CCO	4090610
NCCN1CCCC2=CC=CC=C21	4090613
OCCNCCOC1=CC=C(Cl)C=C1	4090614
OCCCNCC1=CC=CC=C1	4090615
CNC(=O)C1=CC=C(CN)O1	4090621
COC(=O)C1CC2=C(CN1)NC=N2	4090796
NCCC1=NC(C2=CC=CC=C2)=NN1	4090797
CN1CCNC(C(=O)O)C1	4090798
CN1C=CC2=C1C=CC=C2N	4090799
CCN1C=CC(CCl)=N1	4090802
CCCN1C=C(N)C=N1	4090803
CN[C@H]1CN(C)C[C@@H]1O	4090985
CCOC1=C(C(C)N)C=CC=C1	4090986
CNCC1=NC(C)=CS1	4090988
CC1=CC(C)=NN1CCN	4090990
CS(=O)(=O)NCCN	4090991
CN1CCC(CC(=N)N)CC1	4090993
CC1=CC=C(C(=N)N)O1	4090997
CC1=C(CO)N=CS1	4091170
CC1=C(CN)NC=N1	4091171
COC1=CC=C2C(=C1)CCCC2N	4091175
COCC1(N)CCCC1	4091178
C1CCN(C2CNC2)CC1	4091179
NCC1=CNC(=O)NC1=O	4089543
CN1CC(CN)OCC1=O	4089546
NC1CCCNC1=O	4089547
CC1=NN(CC2=CC=CC=C2)C(C)=C1Br	4089550
COC1=CC2=C(C=C1)OC(CN)=N2	4089552
NC1(C2=CC=CC=C2Cl)CC1	4089725
COC1=CC=C(B(O)O)C(N2N=C(C)C=C2C)=C1	4089729
CCCOC(C)CN	4089733
NCC1=CC2=CC=C(F)C=C2NC1=O	4089899
CNC1CCCCCC1	4089903
CC1(C(N)=O)CCNCC1	4089906
NC1CCN(S(=O)(=O)C2=CC=CC=C2)CC1	4089908
CNC(=O)CN	4089909
O=S1(=O)CCC(N2CCNCC2)C1	4090077
CCC(CN)OC	4090078
COCCNCCOC1=CC2=C(C=CC=C2)C=C1	4090080
CC1=NC(CN)=NC2=C1CCCC2	4090082
CC1CN(C2=CC=CC=C2[N+](=O)[O-])CCN1	4090084
CC1=NOC(CN)C1	4090248
CN1C2=CC=CC=C2N=C1CBr	4090249
CC(C)C1=CSC(C(=O)O)=N1	4090257
NCCCN1CCNC(=O)C1	4090258
NC(=O)[C@H]1CCCC[C@H]1N	4090440
CC1NCCN2C=CC=C12	4090624
CCN1CCCC(C(=O)O)C1	4090631
NNCC1=CC=C2OCOC2=C1	4090807
ClCCC1=CNN=C1	4090809
CCNCC(F)(F)F	4090813
CCC1=CC=C(CNN)C=C1	4090815
NC1C(=O)NC2=C1C=CC=C2	4090819
CC(N)C1=CN(C2=CC=C(F)C=C2)N=C1	4091000
N=C(N)CCC1=CC=CC=C1	4091002
OCC1=CN=CN1C1CC1	4091003
O=C(C1CCCNC1)N1CCCC1	4091004
CN1C=NC=C1CC#N	4091181
O=C(O)CC1=NNC([N+](=O)[O-])=N1	4091182
CCC1=CC(Cl)=CC=C1N	4091185
CCOC(=O)C1=C(O)CCN(C)C1	4091189
NC1CCN(C2=CC=C(F)C=C2)CC1	4089557
CNCC1=CC=C(C)C=C1	4089741
C1CN(C2CCSCC2)CCN1	4089745
CC(C)(C)C(=N)N	4089911
CN(CCO)C1CCNCC1	4089912
CC1=CSC(NN)=N1	4089917
O=CC1=CC=CC(OCCN2CCCCC2)=C1	4090086
NCCOC1=CC=C(Br)C=C1	4090090
CNC(=O)C(C)(C)N	4090091
O=C1NN=C(C2CCCN2)N1	4090092
CN1C=CN=C1CN	4090095
CNC(=O)C1=NOC(CN)=N1	4090260
CCC1=NOC(C(C)N)=C1	4090262
CCN1C=NC2=CC(N)=CC=C21	4090264
COCCC1CCCNC1	4090265
O=C1CNCCN1CCC1=CC=CC=C1	4090445
O=C1N=C(C(=O)O)C2=CC=CC=C2N1	4090447
O=C(O)CCCN1CCOCC1	4090448
CC1(C)CC(N)C2=CC=CC=C2O1	4090449
CCC1=NC(CO)=CS1	4090454
NC(C(=O)O)C1=CC=CC(O)=C1	4090636
NCCSC1=NC=CC=C1	4090640
CNCC1=NNC2=C1CCCC2	4090823
NCC1=CC=C(N2C=NC=N2)C=C1	4090825
NCC1=CSC(CC2=CC=CC=C2)=N1	4090829
CNCCN1C=CN=C1C	4091015
CCC1=NC(C)=C(CN)S1	4091016
CNCC1=NNC(=O)N1	4091019
C=C(C)COC1=CC=CC(N)=C1	4091020
CN(CCN)S(C)(=O)=O	4091023
CN(C)CC1=NC(C(=O)O)=CS1	4091193
CC(C)C(C)(C)N	4091195
CCN1C=CN=C1CCl	4089564
CC(C)C1CCNCC1	4089572
CC(C)(CO)NCC1=CC=CC=C1	4089750
CC(N)C1=NC=NN1	4089755
C1CCONC1	4089921
CC1=NC(CN)=NO1	4089924
COC(C)CN	4089925
CS(=O)(=O)N1CCCNCC1	4089929
CC1=NC2=C(CNC2)C(=O)N1	4089930
[H]C(=O)CCN1N=C(C)C=C1C	4090097
NC1=NC2(CCNCC2)C(=O)N1	4090100
COCC/C(N)=N\O	4090102
C=CCOC1=CC=CC=C1N	4090105
COC(=O)C1(C)CCNCC1	4090274
O[C@H]1CNC[C@@H]1N1CCCC1	4090275
NCC1=CC2=CC=CC=C2S1	4090276
CC(CN(C)C)C(=O)O	4090277
CC1=C(OCCN)C(Cl)=CC=C1	4090280
CN1CCC[C@H]1C(=O)O	4090456
CC(C(=O)O)N1CCCCC1	4090458
COCCOC1=CC(N)=CC=C1	4090460
C1=CC2=C(CCNC2)S1	4090461
O=C1NC(CO)=NC2=CC=CC=C12	4090463
CC(CN)N1C=CC=N1	4090464
CC(C)NCC1CC1	4090465
COCCNC(=N)N	4090647
CC1=NC=CN1CCCCl	4090650
C1=COC(CN2CCNCC2)=C1	4090651
NC1=CC=CC(C2=CC=C(Cl)C=C2)=C1	4090655
CNCC1=NC(C)=CN1	4090830
CCC1CNCCN1	4090833
OCCCNCC1=CC=NC=C1	4090835
CC(C)(C)C(N)CN1CCCC1	4090841
NCC1=C2N=CC=CN2N=C1	4090842
CC1(C(=O)O)CCCNC1	4091028
CCN1C(CN)=NC2=C1C=CC=C2	4091029
NC1(C2=CC(F)=CC=C2F)CC1	4091030
NCCC1=NC2=CC=CC=C2O1	4091032
CCC1=C(N)C=CC(I)=C1	4091033
CN1CC(CN)CC1=O.Cl.Cl	4091208
O.O=C1CNCCN1C1CCCCC1	4091209
CN(C)CC(C)(C)N	4089578
NCC1C(=O)NC2=CC=C(F)C=C21	4089581
NC1COC2=CC=CC=C2C1	4089584
CN(C)CCN(C)C1CCNCC1	4089585
FC(F)(F)C1CNCCO1	4089586
CC1=CC=C(C2=CC=C(N)C=C2)C=C1	4089757
COC1CCNC1	4089940
N#CCC1CCNCC1	4090106
CNC(=O)[C@H]1CCCN1	4090109
NCC1CCN(C2=C(F)C=CC=C2)C1	4090112
CCC1(C(=O)O)CCCCN1	4090115
CC1=C(C2=CC=C(N)C=C2)C=CC=C1	4090117
O=C1NCC2(CCCNC2)O1	4090282
NC1CC(=O)N(C2=CC=CC=C2)C1	4090283
CNC1=NC(CCl)=CS1	4090284
CNCC1=NC2=CC=CC=C2N1	4090287
O=C(O)C1CCN(C2CCCCC2)CC1	4090289
COC1=CC=C(N)C=C1NC(C)=O	4090468
COCCNCCOC1=CC=C(Cl)C=C1	4090469
CC(C)(C)C1=CSC(CN)=N1	4090471
CCNCC(C)(C)C	4090473
CCOC(=O)C1CCN(C2CCNCC2)CC1	4090475
CN1N=C(CO)C2=C1CCNC2	4090478
COC(=O)C1=NN(C)C=C1N	4090656
CN(C)C1=NC=C(CO)C=C1	4090657
O=C(O)CN1CC2=CC=CC=C2C1	4090659
NCCC1=NC(O)=CC(N)=N1	4090661
CC1(C)CC(N)CC(C)(C)C1	4090662
C[C@@H]1CNC(=O)CN1	4090663
NCC1CCN(C2CC2)C1	4090847
C1=NC=NC(C2CCCNC2)=C1	4090848
NNCC1=C(Cl)C=CC=C1	4090851
CSC1=CC=C(CN2CCNCC2)C=C1	4091036
CC(C)C1=NOC(CN)=C1	4091038
NCCC1=NC2=CC=C(F)C=C2N1	4091046
NCC1=NC=C(Cl)C=N1	4091048
CC1=NN(C)C=C1CN.Cl.Cl.O	4091216
N[C@@H]1CC[C@H](O)C1	4089591
CN(C)C(=O)CC1CCNCC1	4089592
NCCC1=CSC2=NCCCN12	4089595
COC1=CC=CN=C1CCl	4089597
COCCC1CCNCC1	4089767
CC1=C(C)C(N2CCNCC2)=NC=N1	4089771
CN(CC1CCCNC1)C(=O)OC(C)(C)C	4089772
COC1=C(N2CC(N)CC2=O)C=CC=C1	4089942
NCCC1=NOC(C2=CC=CC=C2)=N1	4089944
CC1=NNC(N)=C1N	4089947
CC(C)(C)C1(N)CC1	4089948
CN1CCCC1CCl	4090126
CNCC1=NC2=CC=CC=C2S1	4090128
CNC(=O)CCC(C)(C)N	4090294
COC(=O)CCN1CCNCC1	4090296
CSCCN1CCNCC1	4090298
NCCCN1C=NN=C1	4090299
CCCC1(C(=O)O)CCNCC1	4090300
NC1=CC=C(NCC2=CC=CC=C2)C=C1	4090480
NCCC1=NN=NN1	4090486
NC1CCCN(CC2=CC(O)=CC=C2)C1	4090666
C1CC[C@@H]2OCCN[C@H]2C1	4090673
CCCC(N)CC(=O)OCC	4090675
CSC1=NC=C(CN)N1C	4090858
CC1=C(Cl)SC(CCN)=N1	4091050
CN1CCC(CC(=O)O)C1	4091051
CC(C)OC1=CC=C(CCN)C=C1	4091056
CNC(=O)C1=CC=C(OC)C(N)=C1	4091058
COC1=CC(CN)=NC=C1.Cl.Cl	4091226
CC(C)(C)OC(=O)N1CCC2(CCCNC2)CC1	4091227
CC1=NC(CCl)=CS1	4089600
ClCC1CCN(CC2=CC=CC=C2)CC1	4089603
CC1=CN(CCN)N=C1	4089607
O=C(O)CCC1CCCNC1	4089777
O=C(O)CC1=CN2C=CSC2=N1	4089778
CC(C)(C(=O)O)N1CCCC1	4089780
NC1=CC=C(C2=C(O)C=CC=N2)C=C1	4089782
CNCC1=C2CCCC2=NN1	4089783
CC(=O)CC(C)N	4089784
NC1CCN(C2=CC=CC=C2F)CC1	4089787
NCCCC1=CC(F)=CC=C1	4089959
O=C(O)C1=CN2C=C(Cl)C=NC2=N1	4089960
CC1=NOC(C(C)N)=N1	4089961
NCCCN1N=NC2=CC=CC=C21	4090129
CC1=CN(CCO)N=C1	4090132
C1=NC(N2CCNCC2)=NN1	4090133
NCCC1=CC2=CC=CC=C2C=C1	4090137
CC(=O)C1=CNC(=O)N=C1C	4090304
CN1C=CN=C1N	4090307
NC1CCN(CC2=CC=CO2)CC1	4090308
NCC1=NN=NN1C1=CC=CC=C1	4090309
OCCCC1=NC(Cl)=NN1	4090310
CNCC1=C(C)NN=C1C	4090311
NCC1CCN(C2=CC(Cl)=CC=C2)C1	4090678
CCOC1=C(CNC)C=CC=C1	4090680
NC1CC(=O)N(C2=CC=C(F)C=C2)C1	4090682
NCC1=NC(C2CC2)=NO1	4090684
CC(C)(C)OC(=O)N1C=CC2=C(CN)C=CC=C21	4090685
CC1=CNC(C(C)N)=N1	4090866
NCC1=CC2=CC=CC=C2N=C1	4090869
O=C(O)C1=C(N2CCNCC2)C=CC=C1	4090870
CNCC1=CC=CC=C1C	4090872
CCNC(=O)C1=CC(C)=C(N)C=C1	4091061
CC1=CC=C2NN=C(CN)C2=C1	4091064
NCC1=CN=C(C2=CC=CC=C2)S1	4091065
O=C(CN1CCNCC1)NC1CC1	4091067
C1CCN(CC2CCNCC2)C1	4091069
CC1=NOC(CC2CCNCC2)=N1	4089610
FC1=CC(COC2CNC2)=CC=C1	4089613
C1=NC=C2CNCCCN12	4089615
CC1=CN(CC(=O)O)N=C1	4089617
C[C@H]1CNC(=O)CN1	4089619
CNCC1=C(C)N=C2C=CC=CN21	4089620
NNC1=CC=CC2=C1N=CC=C2	4089791
CC1=CC(C)=C(C(=O)O)C=N1	4089795
CCNCC1CCCCC1	4089799
CC1=CC=CN2C=C(CN)N=C12	4089964
NCC1=NOC(C2=C(F)C=CC=C2F)=N1	4089969
CN(C)C1=NC(N)=NC(CN)=N1	4089970
ClCC1CCCN(CC2=CC=CC=C2)C1	4089973
CCS(=O)(=O)CCN	4089975
CC1=NNC(CN)=C1	4090142
ClC1=C2CCNCC2=CC=C1	4090148
NCC1=NC2=CC=CC=C2O1	4090316
CSCC1=NC(CN)=CS1	4090321
NCC1CCN(CC2=CC=CC=C2F)C1	4090503
NC1COC2(CCCCC2)C1	4090504
CNCC1=NNC(C2=CC=CC=C2)=C1	4090507
COC1=NN(C)C(C)=C1N	4090508
NNC(=O)CN1C=CN=C1	4090511
O=S(=O)(N1CCNCC1)N1CCOCC1	4090513
C1=CC(OC2CCNCC2)=CC=N1	4090514
CC1CC2=CC(N)=CC=C2O1	4090689
CCN1C2=CC=CC=C2N=C1CCN	4090695
NCC1CCS(=O)(=O)CC1	4090875
NCCC1=CSC=N1	4090876
O=C(O)C1(CN2C=CC=N2)CC1	4090878
NNC1=CC=CN=C1	4090882
O=C(O)C1=CC(C2=CC=NC=C2)=NN1	4090884
NCC1=NC(C2=CC=C(F)C=C2)=NO1	4090885
COC(=O)COC1=CC=C(N)C=C1.Cl	4091347
Cl.N[C@H]1CCOC[C@H]1O	4091235
N[C@@H]1CCC[C@@H](CO)C1	4091236
CC1(C)OB(C2=CC(C3=CC=CC=C3)=NO2)OC1(C)C	4108181
Cl.O[C@H]1C[C@H]2NCC[C@@H]12	4091256
CC(C)(C)OC(=O)NC[C@@H]1CCC[C@H](N)C1	4091257
CC1=COC(C)=C1	4091270
CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H](N)C1.Cl	4091299
CC(C)(C)OC(=O)N1CC2CCNC2C1	4091566
C1CO[C@@H]2COCC[C@@H]2N1.Cl	4091314
Cl.O[C@@H]1C[C@H]2CNC[C@@H]12	4091316
Cl.O=C1N[C@H]2CNCC[C@H]2O1	4091318
CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@H](N)C1	4091296
N[C@H]1CCC[C@@H](CO)C1	4091300
Cl.NC1C=CCC1	4068828
CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](CBr)C1	4091321
N#CCC1CCC(=O)N1	4108168
C1CC[C@H]2OCCN[C@H]2C1.Cl	4091339
CO[C@H]1CCNC1.Cl	4093842
CC1NCCN(C(=O)OC(C)(C)C)C1C	4092354
O[C@H]1CNC[C@@H]1O	4093726
Cl.NC[C@H](O)C1=CN=CC=C1	4092063
Cl.N[C@@H]1COC2=C(C=CC=C2)C1	4093276
C[C@H](N)C1=NC=CS1.Cl	4093303
CN1CC[C@@H](N)C1.Cl	4093148
CC1CN(C2CCNCC2)CC(C)O1	4094087
Cl.N[C@H]1COC2=CC=CC=C2C1	4092002
CC(C)(C)OC(=O)NC[C@@H]1CCCNC1.Cl	4092180
Cl.NC1CCC(O)C1	4094627
CC1=CC=CC([C@@H](C)N)=C1.Cl	4095694
Cl.O=C1OC[C@@H]2CNCCN12	4096298
Cl.N[C@@H]1CCCOC1	4095390
C[C@H]1CC[C@@H](N)CC1.Cl	4095854
CC(C)(C)OC(=O)N1CC2CCC(=O)C2C1	4095587
CC(C)(C)OC(=O)N1CC(N)C(O)C1	4095189
CC(C)(C)OC(=O)N1C[C@@H](N)C[C@@H]1C(=O)O	4100937
CCN1CC[C@@H](N)C1.Cl.Cl	4099937
Cl.N[C@@H]1CCNC1=O	4101224
CC1=CC=CC([C@H](C)N)=C1.Cl	4099223
CC(C)(C)OC(=O)N1C[C@H](N)C[C@@H]1CO.Cl	4100583
COC1CCC(N)CC1	4100479
CC(C)(C)OC(=O)N1C[C@@H](N)C[C@H]1CO	4105706
CC(C)[C@H](N)CC(=O)O.Cl	4106166
CCOC(=O)C1C2CNCC21.Cl	4106795
CNC1CCCCC1O	4105003
Cl.N[C@H]1CCCOC1	4105155
CC(C)(C)OC(=O)N1C[C@H](N)C[C@H]1CO	4105658
O=C(O)C1=C(CBr)OC=C1	4104018
C[C@@H](N)C1=NC=CS1.Cl	4104338
CC(C)(C)OC(=O)NC1CCCC(N)C1	4102595
CC(C)(C)OC(=O)NC[C@H]1CCNC1.Cl	4103884
ClC1=CC=C2NC(Cl)=NC2=N1	4102371
CC(C)(C)OC(=O)N1CCC(O)C(N)C1	4103441
OC12CCCCC1CNCC2	4103932
BrC1=CN2C=CN=C2N=C1.Cl	4104411
[H][C@@]12C=C[C@]3(CN(C)C(=O)C3C1C(=O)O)O2	4103653
Cl.NC1=NC=CC=C1C(F)(F)F	4104450
CCN1CC[C@H](N)C1.Cl.Cl	4098573
CC1CNCCC1O	4097511
CO[C@@H]1CCNC1.Cl	4098907
CC(C)(C)OC(=O)NC[C@H]1CCCNC1.Cl	4097242
Cl.OC[C@@H]1CCNC1	4098010
Cl.N[C@H]1CCC(=O)NC1	4097106
CC(C)(C)OC(=O)NC[C@@H]1CCNC1.Cl	4098511
COC(=O)[C@@H]1CNCCO1.Cl	4098226
Cl.[H]C12CCC([H])(CC1)N2	4097327
BrC1=NSC=N1	4108197
CC1=C(C(=O)O)N=C2N=CC=CN21	4108198
CN1CC[C@@H]2CNC[C@@H]21	4108123
Cl.N[C@@H]1CCOC1	4107838
CC1(C)OB(C2=CSN=C2)OC1(C)C	4108173
CC1=CC=C(S(=O)(=O)OCCCN=[N+]=[N-])C=C1	4108184
Cl.NC[C@@H](O)C1=CC=CN=C1	4107744
Cl.N[C@H]1CCNC1=O	4107612
CC(C)[C@H]1CNC[C@@H](C)O1	4109531
O=C(O)C1=C2CCCCC2=NO1	4108225
OCC1C[C@H]2CNC[C@H]2O1	4108232
N[C@H]1CCC[C@@H](O)C1	4108327
O=S(=O)(Cl)C1=CC=NS1	4108240
Cl.N[C@H]1CCC[C@@H](CO)C1	4108241
[H][C@]12CCC[C@H](C(=O)O)N1C(=O)CC2	4109351
O=C1CCCCC(C(=O)O)N1	4038630
Cl.[H][C@@]12C[C@@H](N)C[C@]1([H])C[C@H](O)C2	4108331
CC1(C)OB(C2=CC=NS2)OC1(C)C	4108250
O=C1C[C@H]2C[C@@H](C(=O)O)[C@@H]1O2	4108220
C1=CC=C(O[C@H]2CCNC2)C=C1.Cl	4108222
CC1(C)OB(CC2=CC(Cl)=CC(Cl)=C2)OC1(C)C	4109938
CC1=CC(C(F)(F)F)=NC(CN)=N1.Cl	4110411
CC(C)(C)OC(=O)N1CCC2(CCC(N)CC2)C1.Cl	4110779
O=C1CC2(CCC2)CN1	4110780
CN1N=NC(Cl)=C1C(=O)O	4110782
CC(C)(C)OC(=O)N1CCCC(CC(=O)O)CC1	4110784
CN1N=C(C(F)(F)F)N=C1N	4110583
CN1N=C(Br)N=C1C1CC1	4110595
Cl.Cl.O=C1C[C@H]2CNC[C@H]2N1	4110412
Cl.NCC1=CC(O)=NC=N1	4110390
CC(C)(C)OC(=O)N1CCOCC1CCN.Cl	4110392
CN1CC2(CCCNCC2)CC1=O.Cl.Cl	4110786
CC1=CC2=C(C(=O)O)N(C)N=C2C=C1	4110787
CC(=O)C1=CN=NN1C	4110788
CN1N=CC(C(=O)O)=N1	4110789
OC1=CC2=C(C=C1)SC1=C2C=CC=C1	4110792
Cl.NC1CC=CCC1	4110793
Cl.Cl.N[C@H]1CC[C@@H](N2C=CC=N2)CC1	4110794
N[C@@H]1CCCN2CCC[C@@H]12	4110681
O=CC1=CC(O)=NC=N1	4110682
CNCC1=NN(C)C(C)=N1.Cl.Cl	4110685
CN1N=NC(Br)=C1C=O	4110687
CC(=O)C1=NC(Br)=NN1C	4110690
CN1N=NC(Br)=C1C(=O)O	4110691
Cl.OC1COC2(CCNCC2)C1	4110813
CN1C(=O)C[C@@H]2CCNC[C@@H]21.Cl.Cl	4110816
CC(C)(C)OC(=O)N1CC2=C(C=C(CBr)C=C2)C1	4110391
CN1C(=O)CO[C@@H]2CNC[C@@H]21.Cl	4110740
O=C1CNC2=C(C=C(C(=O)O)C=N2)N1	4110798
Cl.ClC1=CC=C2NC(Cl)=NC2=N1	4110799
O=C(O)[C@]12CCCCN1C[C@H](O)C2	4110567
C1COC(CC2CC2)CN1	4110660
CN1N=NC(Br)=C1C#N	4110695
CCOC(=O)[C@@]12CC[C@@H](CNC1)[C@H]2O.Cl	4110698
CCOC(=O)[C@@]12CC[C@@H](CNC1)C2.Cl	4110699
CC1=NC2=CC=NN2C(Cl)=C1	4110548
CN1C(=O)C[C@@H]2CNCC[C@@H]21.Cl.Cl	4110824
Cl.O=C1C[C@@H]2CNCC[C@@H]2N1	4110830
Cl.O=C1C[C@@H]2CCNC[C@@H]2N1	4110831
Cl.NCC1=NC(C2=NC=CC=N2)=NO1	4110838
C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1N	4110370
CN1C(=O)CO[C@H]2CNC[C@@H]21.Cl	4110741
O=C(O)CC(C1=CC=CC=C1)C(F)(F)F	4110745
CC(C)OC1=CC(O)=CC(C(=O)O)=C1	4110746
CCOC1=CC(C(=O)O)=CC(O)=C1	4110748
CC1(C=O)CN(C(=O)OC(C)(C)C)C1	4110667
FC1=C2C=C(Br)C=NC2=CC=C1	4110379
FC1=CC=C2C=C(Br)C=NC2=C1	4110381
Cl.O=C1CC2CCC(CN1)N2	4110553
NC[C@H]1CCC[C@@H](O)C1	4110840
O=CC1=CC=NC2=CC=NN12	4110848
CC(C)(C)OC(=O)N[C@@H]1CNC[C@H](F)C1	4110560
CC(C)(C)OC(=O)N1C[C@@H](N)C[C@@H](F)C1	4110561
CC(C)(C)OC(=O)NCC1=CC(N)=CC(C(=O)O)=C1	4110751
CSC1=NC(N)=C([N+](=O)[O-])S1	4110625
NCC1=NNC(N2C=NN=C2)=N1	4110486
Cl.NCCC1=C2CCCCC2=NN1	4110756
Cl.Cl.NCC1=NNC(N2C=NN=C2)=N1	4110757
Cl.O=C(O)CN1C=NN=C1	4110758
CN1N=NC=C1Br	4110761
CN1N=C(Br)C(C=O)=N1	4110764
NC[C@@H]1CCC[C@@H](O)C1	4110384
CC(C)(C)OC(=O)N[C@H]1CNC[C@H](O)C1	4110609
O.O.O=C([O-])C1=CC=C2C=CC=CN21.[Na+]	4110611
COC1=CC(C2CCCCN2)=CC=C1.Cl	4110800
C1=CC2=C(C=C1)OC1=C(C=CC=C1)CNC2.Cl	4110801
OC1=CC=C(Br)N2C=CN=C12	4110498
CC(C)(C)OC(=O)N1C[C@@H]2OCC(O)CO[C@H]2C1	4110766
COC1CO[C@H]2CNC[C@@H]2OC1.Cl	4110767
CC(C)N1C=C(C(=O)O)N=N1	4110808
CC(C)(C)OC(=O)N1C[C@@H]2C(C)(C)C[C@]2(C(=O)O)C1	4110810
COC(=O)[C@@]12CNC[C@@H]1C(C)(C)C2.Cl	4110811
CC1(C)C[C@]2(CO)CNC[C@H]12.Cl	4110812
CN(C)C1=NC(CN)=NN1C.Cl.Cl	4110639
CN1N=C(C(=O)O)N=C1C(F)(F)F	4110641
CN1N=C(C(F)(F)F)N=C1CO	4110643
CN1N=C(CO)N=C1C(F)(F)F	4110644
CN1N=CN=C1NN	4110506
CN1N=C(C(F)(F)F)N=C1C=O	4110649
CN1N=C(C(F)(F)F)N=C1C(=O)[O-].[K+]	4110521
COC(=O)C1=NC(N)=NC(Cl)=C1	4110531
CO[C@@H]1CO[C@H]2[C@@H]1OC[C@H]2N	4110542
CC1=NN=C(CN)S1.Cl.Cl	4110614
C[C@@H]1C[C@H]1N.Cl	4110616
Cl.O=C1N[C@@H]2CNCC[C@H]2O1	4110712
CC1=C(C(=O)O)C(=O)N(C)C=C1	4110714
Cl.Cl.O=C1NCC(O)CC12CCNCC2	4110717
COC(=O)C1=C2C=CC=C(C(=O)O)N2N=C1	4110718
O=C(O)[C@H]1C[C@@H]2C[C@@H](O)[C@H]1O2	4110719
O=C(O)[C@H]1C[C@H]2O[C@@H]1C[C@@H]2O	4110720
CC(C)(C)OC(=O)N1CCC2(CC1)CNCC(O)C2	4110722
COC(=O)C(C)C1CCNCC1.Cl	4110727
O=C(O)C1=CC(O)=NC2=CC=CC(Cl)=C21	4110729
O=C(O)C1=NC(N2C=NC=N2)=CC=C1	4110730
C1=CCCNCC1.Cl	4110732
Cl.Cl.NCCC1CCC(=O)N1	4110733
Cl.O[C@H]1CCNCC[C@H]1O	4110734
Cl.N[C@@H]1CCN(S(=O)(=O)C2=C([N+](=O)[O-])C=CC=C2)[C@@H](C2=CC=CC=C2)C1	4110735
Cl.O[C@H]1CCNCC[C@@H]1O	4110736
CN(C)C1=CC(Cl)=C2C=CNC2=N1	4110771
CCOC(=O)N1CCC2(CC1)OCCCC2=O	4110774