0 B9R1.12 BrCCCN1C=CN=C1 4089177 [0,0,0,0,0,0|4,0,0]=4 1 B9R1.12 CNCCC1=CNN=C1 4087966 [0,0,0,0,0,0|4,0,0]=4 2 B9R1.12 CNCCC1=CNN=C1 4101522 [0,0,0,0,0,0|4,0,0]=4 3 B9R1.12 CNCCC1=NOC=N1 4044451 [0,0,0,0,0,0|4,0,0]=4 4 B9R1.12 CNCCN1C=CN=C1 4089691 [0,0,0,0,0,0|4,0,0]=4 5 B9R1.12 ClCCCN1C=CC=N1 4089421 [0,0,0,0,0,0|3,0,0]=3 6 B9R1.12 NCCCC1=NC=CN1 4089532 [0,0,0,0,0,0|3,0,0]=3 7 B9R1.12 NCCCC1=NC=CS1 4101106 [0,0,0,0,0,0|2,1,0]=3 8 B9R1.12 NCCCN1C=CC=N1 4087812 [0,0,0,0,0,0|3,0,0]=3 9 B9R1.12 NCCCN1C=CN=N1 4088545 [0,0,0,0,0,0|4,0,0]=4 10 B9R1.12 NCCCN1C=NC=N1 4088691 [0,0,0,0,0,0|4,0,0]=4 11 B8R1.8 CCCC1=NNC=N1 4089398 [1,0,0,0,0,0|3,0,0]=4 12 B8R1.8 CNCC1=CC=CS1 4087952 [1,0,0,0,0,0|1,1,0]=3 13 B8R1.8 CNCC1=CC=NN1 4088708 [1,0,0,0,0,0|3,0,0]=4 14 B8R1.8 CNCC1=CSC=N1 4088415 [1,0,0,0,0,0|3,0,0]=4 15 B8R1.8 CNCC1=NC=CN1 4088413 [1,0,0,0,0,0|3,0,0]=4 16 B8R1.8 CNCC1=NC=CS1 4090726 [1,0,0,0,0,0|2,1,0]=4 17 B8R1.8 CNCC1=NOC=C1 2102254 [1,0,0,0,0,0|3,0,0]=4 18 B8R1.8 ClCCC1=NC=CN1 4090066 [1,0,0,0,0,0|3,0,0]=4 19 B8R1.8 NCCC1=CC=CO1 4087953 [1,0,0,0,0,0|1,0,0]=2 20 B8R1.8 NCCC1=CC=CS1 3020071 [1,0,0,0,0,0|1,1,0]=3 21 B8R1.8 NCCC1=CSC=N1 4090876 [1,0,0,0,0,0|3,0,0]=4 22 B8R1.8 NNCC1=CC=CS1 4088418 [1,0,0,0,0,0|2,1,0]=4 23 B8R1.8 OCCC1=CC=CO1 4039978 [1,0,0,0,0,0|1,0,0]=2 24 B10R1.16 CC1=CN(CCCCl)N=C1 4089011 [0,1,0,0,0,0|3,0,0]=4 25 B10R1.16 CC1=CSC(CCCN)=N1 4088296 [0,1,0,0,0,0|2,1,0]=4 26 B10R1.16 CNCCN1C=C(C)C=N1 4028270 [0,1,0,0,0,0|3,0,0]=4 27 B10R1.16 CNCCN1C=C(C)C=N1 4089345 [0,1,0,0,0,0|3,0,0]=4 28 B10R1.16 NCCCC1=CSC(N)=N1 4090057 [0,1,0,0,0,0|3,0,0]=4 29 B10R1.21 C#CCNCC1=CC=CO1 4088089 [0,1,0,0,0,0|0,0,2]=3 30 B10R1.29 CC1=C(CCCN)SC=N1 4090167 [0,1,0,0,0,0|2,1,0]=4 31 B10R2.7 C1=CC2=C(CCNC2)S1 4090461 [0,0,0,1,0,0|1,1,0]=3 32 B10R2.7 C1=CN2CCNCC2=C1 4028089 [0,0,0,1,0,0|2,0,0]=3 33 B10R2.7 C1=NN=C2CCCCN12 4089217 [0,0,0,1,0,0|3,0,0]=4 34 B10R2.7 C1=NNC2=C1CNCC2 4088419 [0,0,0,1,0,0|3,0,0]=4 35 B10R2.136 C1=CN(C2CNC2)N=C1 4090186 [0,0,0,1,0,0|3,0,0]=4 36 B10R1.17 BrCCCC1=CC=CN=C1 4090397 [0,0,0,0,0,1|2,0,0]=3 37 B10R1.17 CCNCC1=CC=CN=C1 9070410 [0,0,0,0,0,1|2,0,0]=3 38 B10R1.17 NCCSC1=CC=CC=C1 4002675 [0,0,0,0,0,1|3,0,0]=4 39 B10R1.17 NCCSC1=NC=CC=C1 4090640 [0,0,0,0,0,1|3,0,0]=4 40 B7R1.1 C#CC1=CC=CO1 4045318 [2,0,0,0,0,0|0,0,2]=4 41 B7R1.1 CCN1C=CC=N1 3020409 [2,0,0,0,0,0|2,0,0]=4 42 B9R1.7 CC1=CC=C(CCN)S1 4004130 [1,1,0,0,0,0|1,1,0]=4 43 B9R1.7 CCCN1C=C(N)C=N1 4090803 [1,1,0,0,0,0|2,0,0]=4 44 B9R1.7 CNCC1=CC(C)=NO1 4089254 [1,1,0,0,0,0|2,0,0]=4 45 B9R1.11 CCC(=O)C1=CC=CS1 3020389 [1,1,0,0,0,0|0,1,1]=4 46 B9R1.11 CCC(N)C1=NC=CS1 4090783 [1,1,0,0,0,0|1,1,0]=4 47 B9R1.33 CC1=C(CCN)SC=C1 4090401 [1,1,0,0,0,0|1,1,0]=4 48 B11R1.1 CCCSC1=CC=C(N)C=C1 4090004 [0,1,0,0,0,1|2,0,0]=4 49 B11R1.16 CC(CCN)C1=CC=CC=C1 4091158 [0,1,0,0,0,1|2,0,0]=4 50 B11R1.16 CCCC(N)C1=CC=CC=C1 4088376 [0,1,0,0,0,1|1,0,0]=3 51 B11R1.17 NCCCC1=C(F)C=CC=C1 4090517 [0,1,0,0,0,1|2,0,0]=4 52 B11R1.17 NCCCC1=CC=CC=C1Cl 4019783 [0,1,0,0,0,1|2,0,0]=4 53 B11R1.24 NCCCC1=CC(F)=CC=C1 4089959 [0,1,0,0,0,1|2,0,0]=4 54 B11R1.28 NCCCCC1=NC=CC=C1 4014928 [0,1,0,0,0,1|1,0,0]=3 55 B11R1.28 NCCCOC1=CC=CC=C1 4087883 [0,1,0,0,0,1|2,0,0]=4 56 B11R1.4 OCCCNCC1=CC=CS1 4090774 [0,2,0,0,0,0|0,1,0]=3 57 B11R1.25 CNC(C)CCC1=CC=CO1 3020258 [0,2,0,0,0,0|0,0,0]=2 58 B9R2.3 C1=NC2=C(CCC2)N1 4085442 [1,0,0,1,0,0|2,0,0]=4 59 B9R2.3 C1=NNC2=C1CCC2 4088327 [1,0,0,1,0,0|2,0,0]=4 60 B11R2.239 C1=CC=C(C2CCN2)C=C1 4019047 [0,0,0,1,0,1|2,0,0]=4 61 B11R2.239 C1=CC=C(C2CNC2)C=C1 4021486 [0,0,0,1,0,1|2,0,0]=4 62 B11R2.239 C1=CC=C(C2CNC2)N=C1 4025152 [0,0,0,1,0,1|2,0,0]=4 63 B11R2.239 C1=CN=CC(C2CNC2)=C1 4037129 [0,0,0,1,0,1|2,0,0]=4 64 B11R2.2 C1=CC(C2CCNC2)=NN1 4088825 [0,1,0,1,0,0|2,0,0]=4 65 B11R2.2 C1=CNC(C2CCCC2)=N1 4040390 [0,1,0,1,0,0|2,0,0]=4 66 B11R2.2 C1=CSC(C2CCCN2)=N1 4004908 [0,1,0,1,0,0|1,1,0]=4 67 B11R2.2 C1=NC(C2CCNC2)=CN1 4075786 [0,1,0,1,0,0|2,0,0]=4 68 B11R2.106 CC1NCCN2C=CC=C12 4090624 [0,1,0,1,0,0|2,0,0]=4 69 B11R2.10 NC1=NC2=C(CCCC2)S1 3000350 [0,1,0,1,0,0|1,1,0]=4 70 B11R2.351 BrC1=CN(CC2CC2)N=C1 4088464 [0,1,0,1,0,0|2,0,0]=4 71 B11R2.18 C1=NC=C2CNCCCN12 4038086 [0,1,0,1,0,0|2,0,0]=4 72 B11R2.18 C1=NC=C2CNCCCN12 4089615 [0,1,0,1,0,0|2,0,0]=4 73 B11R2.36 NC1CCC2=CNN=C2C1 4085418 [0,1,0,1,0,0|2,0,0]=4 74 B11R2.36 NC1CCC2=CNN=C2C1 4088961 [0,1,0,1,0,0|2,0,0]=4