0 B10R1.21 CCNCCN1C=CC=N1 BB53-0723 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.21 CCNCCN1C=CN=C1 BB53-0767 [0,0,0,0,0,0|4,0,0]=4 2 B10R1.21 CCNCCN1C=NC=N1 BB53-0279 [0,0,0,0,0,0|4,0,0]=4 3 B10R1.21 ClCCNCC1=CC=CO1 BB53-1061 [0,0,0,0,0,0|2,0,0]=2 4 B10R1.21 NCCNCC1=CC=CO1 BB52-9675 [0,0,0,0,0,0|2,0,0]=2 5 B10R1.21 OCCNCC1=CC=CO1 BB52-8109 [0,0,0,0,0,0|2,0,0]=2 6 B9R1.12 CNCCN1C=CC=N1 BB52-9466 [1,0,0,0,0,0|3,0,0]=4 7 B9R1.12 ClCCCN1C=CC=N1 BB53-0013 [1,0,0,0,0,0|3,0,0]=4 8 B9R1.12 OCCCC1=CSC=C1 BB31-5720 [1,0,0,0,0,0|3,0,0]=4 9 B9R1.12 OCCCN1C=CC=C1 BB31-5461 [1,0,0,0,0,0|3,0,0]=4 10 B9R1.12 OCCCN1C=CC=N1 BB53-1139 [1,0,0,0,0,0|3,0,0]=4 11 B11R1.4 CCCNCCN1C=CC=N1 BB53-0326 [0,1,0,0,0,0|2,0,0]=3 12 B11R1.4 CCCNCCN1C=CN=C1 BB52-9497 [0,1,0,0,0,0|3,0,0]=4 13 B11R1.4 CCCNCCN1C=NC=N1 BB53-1114 [0,1,0,0,0,0|3,0,0]=4 14 B11R1.4 CNCCNCC1=CC=CO1 BB52-9424 [0,1,0,0,0,0|1,0,0]=2 15 B11R1.4 ClCCCNCC1=CC=CO1 BB53-0395 [0,1,0,0,0,0|1,0,0]=2 16 B11R1.4 N#CCCNCC1=CC=CO1 BB52-8110 [0,1,0,0,0,0|1,0,1]=3 17 B11R1.4 NCCCSCC1=CC=CO1 BB52-8340 [0,1,0,0,0,0|1,0,0]=2 18 B11R1.4 OCCCNCC1=CC=CO1 BB52-9681 [0,1,0,0,0,0|1,0,0]=2 19 B11R1.25 O=C(CBr)NCC1=CC=CO1 BB53-0885 [0,1,0,0,0,0|2,0,1]=4 20 B11R1.27 CCCCCC1=NN=C(N)O1 BB52-9150 [0,1,0,0,0,0|2,0,0]=3 21 B11R1.27 CCCCCC1=NN=C(N)S1 BB52-0948 [0,1,0,0,0,0|2,1,0]=4 22 B11R1.27 CCNCCN1C=C(C)C=N1 BB52-8965 [0,1,0,0,0,0|3,0,0]=4 23 B11R1.172 CC(C)NCCN1C=CC=N1 BB52-9613 [0,1,0,0,0,0|3,0,0]=4 24 B11R1.172 FC(F)CNCC1=CC=CO1 BB05-4659 [0,1,0,0,0,0|2,0,0]=3 25 B11R1.172 O=C(O)CNCC1=CC=CO1 BB52-9976 [0,1,0,0,0,0|2,0,1]=4 26 B11R2.2 C1=CNC(C2=NCCC2)=C1 BB31-0136 [0,0,0,1,0,0|2,0,1]=4 27 B11R2.2 C1=CSC(C2OCCO2)=C1 BB31-5549 [0,0,0,1,0,0|2,1,0]=4 28 B11R2.106 CC1NCCN2C=CC=C12 BB54-3527 [0,0,0,1,0,0|3,0,0]=4 29 B11R2.106 O=C1CCCC2=C1C=NO2 BB31-6029 [0,0,0,1,0,0|2,0,1]=4 30 B11R1.28 CCCC#CC1=CC=CC=C1 BB31-3592 [0,0,0,0,0,1|1,0,2]=4 31 B11R1.28 CCCCCC1=CC=NC=C1 BB31-4566 [0,0,0,0,0,1|1,0,0]=2 32 B11R1.28 CNCCSC1=NC=CC=C1 BB52-9534 [0,0,0,0,0,1|3,0,0]=4 33 B11R1.28 ClCCCSC1=NC=CC=C1 BB53-0616 [0,0,0,0,0,1|3,0,0]=4 34 B11R1.28 ClCCNCC1=CC=CN=C1 BB52-9884 [0,0,0,0,0,1|3,0,0]=4 35 B11R1.28 ClCCNCC1=CC=NC=C1 BB52-9449 [0,0,0,0,0,1|3,0,0]=4 36 B11R1.28 ClCCNCC1=NC=CC=C1 BB53-0573 [0,0,0,0,0,1|3,0,0]=4 37 B11R1.28 NCCCOC1=CC=CC=C1 BB31-8683 [0,0,0,0,0,1|3,0,0]=4 38 B11R1.28 NCCNCC1=CC=CN=C1 BB53-0712 [0,0,0,0,0,1|3,0,0]=4 39 B11R1.28 NCCNCC1=CC=NC=C1 BB52-9903 [0,0,0,0,0,1|3,0,0]=4 40 B11R1.28 NCCNCC1=NC=CC=C1 BB53-0185 [0,0,0,0,0,1|3,0,0]=4 41 B11R1.28 OCCCCC1=CN=CC=C1 BB31-5838 [0,0,0,0,0,1|2,0,0]=3 42 B11R1.28 OCCCCC1=NC=CC=C1 BB31-3724 [0,0,0,0,0,1|2,0,0]=3 43 B11R1.28 OCCCSC1=NC=CC=C1 BB52-9523 [0,0,0,0,0,1|3,0,0]=4 44 B11R1.28 OCCNCC1=CC=CN=C1 BB52-9596 [0,0,0,0,0,1|3,0,0]=4 45 B11R1.28 OCCNCC1=CC=NC=C1 BB53-0514 [0,0,0,0,0,1|3,0,0]=4 46 B11R1.28 OCCNCC1=NC=CC=C1 BB52-9143 [0,0,0,0,0,1|3,0,0]=4 47 B8R1.8 CCCC1=NNC=C1 BB31-7142 [2,0,0,0,0,0|2,0,0]=4 48 B10R1.16 CC1=CC=C(CCCN)S1 BB31-0033 [1,1,0,0,0,0|1,1,0]=4 49 B10R1.16 CCCCC1=NN=C(N)O1 BB52-9149 [1,1,0,0,0,0|2,0,0]=4 50 B10R1.66 CC(C)NCC1=CC=CO1 BB52-0642 [1,1,0,0,0,0|1,0,0]=3 51 B12R1.1 CCCCNC1=CC=C(Cl)N=N1 BB52-5738 [0,1,0,0,0,1|2,0,0]=4 52 B12R1.1 NCCCCC1=CC=C(Cl)C=C1 BB32-3534 [0,1,0,0,0,1|2,0,0]=4 53 B12R1.8 CCCCCCC1=CC=NC=C1 BB32-1186 [0,1,0,0,0,1|1,0,0]=3 54 B12R1.8 CCNCCSC1=NC=CC=C1 BB53-0726 [0,1,0,0,0,1|2,0,0]=4 55 B12R1.8 CNCCNCC1=CC=CN=C1 BB53-0734 [0,1,0,0,0,1|2,0,0]=4 56 B12R1.8 CNCCNCC1=CC=NC=C1 BB52-9377 [0,1,0,0,0,1|2,0,0]=4 57 B12R1.8 CNCCNCC1=NC=CC=C1 BB53-0219 [0,1,0,0,0,1|2,0,0]=4 58 B12R1.8 ClCCCNCC1=CC=CN=C1 BB53-0056 [0,1,0,0,0,1|2,0,0]=4 59 B12R1.8 ClCCCNCC1=CC=NC=C1 BB53-0133 [0,1,0,0,0,1|2,0,0]=4 60 B12R1.8 ClCCCNCC1=NC=CC=C1 BB53-0582 [0,1,0,0,0,1|2,0,0]=4 61 B12R1.8 NCCCCCC1=CC=CC=C1 BB31-3637 [0,1,0,0,0,1|1,0,0]=3 62 B12R1.8 OCCCNCC1=CC=CN=C1 BB52-8972 [0,1,0,0,0,1|2,0,0]=4 63 B12R1.8 OCCCNCC1=CC=NC=C1 BB52-9759 [0,1,0,0,0,1|2,0,0]=4 64 B12R1.8 OCCCNCC1=NC=CC=C1 BB53-1152 [0,1,0,0,0,1|2,0,0]=4 65 B12R1.30 NC(CCCO)C1=CC=CC=C1 BB32-2038 [0,1,0,0,0,1|2,0,0]=4 66 B12R1.32 COC[C@@H](N)CC1=CC=CC=C1 BB32-3592 [0,1,0,0,0,1|2,0,0]=4 67 B12R1.7 CCCNCCN1C=C(C)C=N1 BB52-9353 [0,2,0,0,0,0|2,0,0]=4 68 B12R1.37 CCNCCNCC1=CC=CO1 BB52-9227 [0,2,0,0,0,0|0,0,0]=2 69 B12R1.51 O=C(CCCl)NCC1=CC=CO1 BB52-8951 [0,2,0,0,0,0|1,0,1]=4 70 B12R1.255 O=C(O)CCNCC1=CC=CO1 BB53-0954 [0,2,0,0,0,0|1,0,1]=4 71 B12R1.264 CC(Cl)C(=O)NCC1=CC=CO1 BB53-0139 [0,2,0,0,0,0|1,0,1]=4 72 B10R1.17 CCCCC1=CC=CN=C1 BB31-4701 [0,0,1,1,0,0|1,0,1]=4 73 B10R2.7 C1=C2CCCCC2=CN1 BB32-2823 [1,0,0,1,0,0|2,0,0]=4 74 B10R2.7 C1=CC2=C(CCCC2)N1 BB31-9527 [1,0,0,1,0,0|1,0,0]=3 75 B10R2.7 C1=CN2CCCCC2=N1 BB32-1983 [1,0,0,1,0,0|2,0,0]=4 76 B10R2.136 C1=CC(C2CCC2)=NN1 BB31-7666 [1,0,0,1,0,0|2,0,0]=4 77 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 BB32-3315 [0,0,0,1,0,1|2,0,0]=4 78 B12R2.2 C1=CC=C([C@H]2CCCN2)C=C1 BB32-3398 [0,0,0,1,0,1|2,0,0]=4 79 B12R2.2 C1=CN=CC(C2CCNC2)=C1 BB32-3380 [0,0,0,1,0,1|2,0,0]=4 80 B12R2.41 C1=CC2=C(C=C1)CCNCC2 BB31-3408 [0,0,0,1,0,1|2,0,0]=4 81 B12R2.1081 CC1CCNC2=C1C=CC=C2 BB31-4716 [0,0,0,1,0,1|2,0,0]=4 82 B12R2.1081 N[C@@H]1CCCC2=C1C=CC=C2 BB32-1584 [0,0,0,1,0,1|2,0,0]=4 83 B12R2.1081 N[C@@H]1CCCC2=CC=CN=C21 BB31-9835 [0,0,0,1,0,1|2,0,0]=4 84 B12R2.1081 O[C@@H]1CCCC2=C1C=CC=C2 BB31-4223 [0,0,0,1,0,1|2,0,0]=4 85 B12R2.2057 C1=CN=C(CNC2CC2)C=C1 BB52-8660 [0,0,0,1,0,1|2,0,0]=4 86 B12R2.10 NC1=CC=NN1C2CCCC2 BB05-2491 [0,1,0,1,0,0|2,0,0]=4 87 B12R2.98 C1=CN(CC2CCCN2)N=C1 BB05-4147 [0,1,0,1,0,0|2,0,0]=4 88 B12R2.2383 C1=CSC(COCC2CO2)=C1 BB32-3964 [0,1,0,1,0,0|1,1,0]=4 89 B12R2.6 CC1=NOC(C2CCCN2)=C1 BB05-4236 [0,1,0,1,0,0|2,0,0]=4 90 B12R2.6 NC1=NN=C(C2CCCC2)O1 BB52-8708 [0,1,0,1,0,0|2,0,0]=4 91 B12R2.6 NC1=NNC(C2CCCC2)=C1 BB31-4424 [0,1,0,1,0,0|2,0,0]=4