0 B8R1.8 BrCCN1C=CC=C1 BB31-5450 [0,0,0,0,0,0|4,0,0]=4 1 B8R1.8 CCCC1=NNC=C1 BB31-7142 [0,0,0,0,0,0|3,0,1]=4 2 B8R1.8 ClCCN1C=CC=N1 BB53-1069 [0,0,0,0,0,0|3,0,1]=4 3 B8R1.8 ClCCN1C=CN=C1 BB53-0752 [0,0,0,0,0,0|3,0,0]=3 4 B8R1.8 ClCCN1C=NC=N1 BB53-0408 [0,0,0,0,0,0|2,0,1]=3 5 B8R1.8 N#CCC1=NN=CN1 BB54-2664 [0,0,0,0,0,0|1,0,2]=3 6 B8R1.8 NCCC1=NC=CS1 BB52-6118 [0,0,0,0,0,0|2,0,1]=3 7 B8R1.8 NCCN1C=CC=N1 BB53-0567 [0,0,0,0,0,0|2,0,1]=3 8 B8R1.8 NCCN1C=CN=C1 BB32-0624 [0,0,0,0,0,0|2,0,0]=2 9 B8R1.8 NCCN1C=CN=C1 BB52-8954 [0,0,0,0,0,0|2,0,0]=2 10 B8R1.8 NCCN1C=NC=N1 BB52-9325 [0,0,0,0,0,0|1,0,1]=2 11 B8R1.8 NCCN1C=NN=C1 BB31-0133 [0,0,0,0,0,0|3,0,0]=3 12 B8R1.8 OCCC1=COC=C1 BB31-4913 [0,0,0,0,0,0|3,0,0]=3 13 B8R1.8 OCCC1=NNC=C1 BB32-1887 [0,0,0,0,0,0|3,0,1]=4 14 B8R1.8 OCCN1C=CC=N1 BB52-9321 [0,0,0,0,0,0|3,0,1]=4 15 B8R1.8 OCCN1C=CN=C1 BB52-9402 [0,0,0,0,0,0|3,0,0]=3 16 B8R1.8 OCCN1C=CN=N1 BB31-8699 [0,0,0,0,0,0|4,0,0]=4 17 B8R1.8 OCCN1C=NC=N1 BB52-9136 [0,0,0,0,0,0|2,0,1]=3 18 B7R1.1 CCC1=CN=CN1 BB31-2770 [1,0,0,0,0,0|0,0,0]=1 19 B7R1.1 COC1=CNN=C1 BB31-2855 [1,0,0,0,0,0|3,0,0]=4 20 B7R1.1 ClCC1=CC=NO1 BB54-1978 [1,0,0,0,0,0|3,0,0]=4 21 B7R1.1 ClCC1=CN=CS1 BB31-9749 [1,0,0,0,0,0|2,0,0]=3 22 B7R1.1 ClCC1=CSC=N1 BB52-8495 [1,0,0,0,0,0|2,0,1]=4 23 B7R1.1 ClCC1=NC=NN1 BB58-3447 [1,0,0,0,0,0|2,0,1]=4 24 B7R1.1 NCC1=CC=NO1 BB31-7725 [1,0,0,0,0,0|2,0,0]=3 25 B7R1.1 NCC1=CNN=C1 BB31-0537 [1,0,0,0,0,0|2,0,0]=3 26 B7R1.1 NCC1=CSC=N1 BB31-0500 [1,0,0,0,0,0|1,0,1]=3 27 B7R1.1 NCC1=NC=CN1 BB31-5150 [1,0,0,0,0,0|2,0,0]=3 28 B7R1.1 NCC1=NC=CO1 BB31-4984 [1,0,0,0,0,0|2,0,1]=4 29 B7R1.1 O=CC1=CN=CO1 BB31-8199 [1,0,0,0,0,0|2,0,1]=4 30 B7R1.1 OCC1=CC=NO1 BB31-7380 [1,0,0,0,0,0|3,0,0]=4 31 B7R1.1 OCC1=NC=NN1 BB58-3446 [1,0,0,0,0,0|2,0,1]=4 32 B9R1.7 CC1=CC(CCN)=CS1 BB51-2715 [0,1,0,0,0,0|2,0,0]=3 33 B9R1.7 CC1=CN(CCN)N=C1 BB52-9452 [0,1,0,0,0,0|2,0,1]=4 34 B9R1.7 CC1=CN=C(CCN)S1 BB55-8357 [0,1,0,0,0,0|2,0,1]=4 35 B9R1.7 CCCC1=CSC(N)=N1 BB32-3257 [0,1,0,0,0,0|2,0,1]=4 36 B9R1.7 CCCC1=NN=C(N)O1 BB52-8738 [0,1,0,0,0,0|3,0,0]=4 37 B9R1.7 CCCC1=NN=C(N)S1 BB52-0945 [0,1,0,0,0,0|3,0,0]=4 38 B9R1.7 OCCC1=CC(Br)=NO1 BB31-8853 [0,1,0,0,0,0|3,0,0]=4 39 B9R1.12 CNCCN1C=CC=N1 BB52-9466 [0,1,0,0,0,0|2,0,1]=4 40 B9R1.12 CNCCN1C=CN=C1 BB52-9610 [0,1,0,0,0,0|2,0,0]=3 41 B9R1.12 CNCCN1C=NC=N1 BB53-0411 [0,1,0,0,0,0|1,0,1]=3 42 B9R1.12 ClCCCN1C=CN=C1 BB53-0429 [0,1,0,0,0,0|3,0,0]=4 43 B9R1.12 ClCCCN1C=NC=N1 BB53-0764 [0,1,0,0,0,0|2,0,1]=4 44 B9R1.12 OCCCC1=CSC=C1 BB31-5720 [0,1,0,0,0,0|3,0,0]=4 45 B9R1.12 OCCCN1C=CN=C1 BB52-9230 [0,1,0,0,0,0|3,0,0]=4 46 B9R1.12 OCCCN1C=NC=N1 BB52-9947 [0,1,0,0,0,0|2,0,1]=4 47 B9R1.13 CC(N)CC1=NC=CS1 BB57-1486 [0,1,0,0,0,0|2,0,1]=4 48 B9R1.33 CC1=C(CCBr)SC=N1 BB32-3763 [0,1,0,0,0,0|2,0,0]=3 49 B9R1.33 CC1=CSC=C1CCN BB51-2716 [0,1,0,0,0,0|2,0,0]=3 50 B9R1.33 CC1=NC=CN1CCCl BB52-9867 [0,1,0,0,0,0|3,0,0]=4 51 B9R1.33 CC1=NC=CN1CCO BB52-9766 [0,1,0,0,0,0|3,0,0]=4 52 B9R1.33 CN1C=NN=C1CCN BB52-8565 [0,1,0,0,0,0|1,0,0]=2 53 B9R2.3 C1=CN2CCNC2=N1 BB31-7290 [0,0,0,1,0,0|2,0,0]=3 54 B9R2.3 C1=NC2=C(N1)NON2 BB52-7446 [0,0,0,1,0,0|2,0,0]=3 55 B9R2.3 C1=NC2=NON=C2N1 BB52-7567 [0,0,0,1,0,0|2,0,1]=4 56 B9R1.8 CNCC1=CC=NC=C1 BB52-3970 [0,0,0,0,0,1|3,0,0]=4 57 B9R1.8 N#CCC1=CN=NC=C1 BB31-0399 [0,0,0,0,0,1|1,0,2]=4 58 B9R1.8 N#CCC1=NC=CN=C1 BB32-2625 [0,0,0,0,0,1|0,0,3]=4 59 B9R1.8 NNCC1=NC=CC=C1 BB32-1215 [0,0,0,0,0,1|2,0,1]=4 60 B9R1.8 OCCC1=CN=CN=C1 BB31-8537 [0,0,0,0,0,1|1,0,1]=3 61 B6R1.2 CC1=CNN=C1 BB32-2485 [2,0,0,0,0,0|2,0,0]=4 62 B6R1.2 NC1=CC=NS1 BB31-5278 [2,0,0,0,0,0|2,0,0]=4 63 B6R1.2 NC1=CN=CS1 BB31-3634 [2,0,0,0,0,0|1,0,0]=3 64 B6R1.2 NC1=CON=C1 BB31-8719 [2,0,0,0,0,0|2,0,0]=4 65 B6R1.2 NC1=NON=C1 BB31-7287 [2,0,0,0,0,0|1,0,1]=4 66 B8R1.1 CC1=NC=C(CO)S1 BB32-2642 [1,1,0,0,0,0|2,0,0]=4 67 B8R1.1 CC1=NN=C(CN)O1 BB53-1168 [1,1,0,0,0,0|2,0,0]=4 68 B8R1.1 CC1=NNC(CN)=N1 BB31-9922 [1,1,0,0,0,0|1,0,1]=4 69 B8R1.1 CCC1=NN=C(N)O1 BB52-8915 [1,1,0,0,0,0|2,0,0]=4 70 B8R1.1 CN1C=NC(CN)=C1 BB31-3537 [1,1,0,0,0,0|0,0,2]=4 71 B8R1.1 CN1C=NC(CN)=C1 BB31-7605 [1,1,0,0,0,0|0,0,2]=4 72 B8R1.1 NCC1=CC=C(Br)O1 BB95-5747 [1,1,0,0,0,0|2,0,0]=4 73 B8R1.1 NCC1=CN=C(Br)S1 BB31-0053 [1,1,0,0,0,0|1,0,0]=3 74 B8R1.7 CC(=O)C1=CN=CO1 BB31-9843 [1,1,0,0,0,0|1,0,1]=4 75 B8R1.7 CC(N)C1=CC=CS1 BB32-0760 [1,1,0,0,0,0|2,0,0]=4 76 B8R1.7 CC(O)C1=CN=CN1 BB32-3221 [1,1,0,0,0,0|0,0,0]=2 77 B8R1.11 CC1=C(CN)SN=N1 BB05-4235 [1,1,0,0,0,0|2,0,0]=4 78 B8R1.11 CC1=NNC=C1CN BB01-4461 [1,1,0,0,0,0|2,0,0]=4 79 B8R1.11 CCN1C=CN=C1Br BB32-3689 [1,1,0,0,0,0|2,0,0]=4 80 B8R1.11 CN1C=CC=C1CN BB51-0595 [1,1,0,0,0,0|1,0,0]=3 81 B8R1.11 CN1C=NC=C1CN BB32-2184 [1,1,0,0,0,0|0,0,0]=2 82 B8R1.11 CN1N=CC=C1CN BB31-9208 [1,1,0,0,0,0|2,0,0]=4 83 B8R1.11 NCC1=C(Br)C=CS1 BB31-6843 [1,1,0,0,0,0|2,0,0]=4 84 B8R1.11 NCC1=C(Cl)C=CS1 BB32-1217 [1,1,0,0,0,0|2,0,0]=4 85 B8R1.11 OCC1=C(Br)N=CS1 BB31-4404 [1,1,0,0,0,0|2,0,0]=4 86 B10R1.1 CC1=NC=C(CCO)C=C1 BB31-0061 [0,1,0,0,0,1|2,0,0]=4 87 B10R1.1 CCCC1=NNC(N)=NN1 BB52-7895 [0,1,0,0,0,1|2,0,0]=4 88 B10R1.1 CCCC1=NNC(S)=NN1 BB52-7870 [0,1,0,0,0,1|2,0,0]=4 89 B10R1.1 CCOC1=CNC(=N)N=C1 BB32-1656 [0,1,0,0,0,1|2,0,0]=4 90 B10R1.1 OCCC1=CN=C(Cl)C=C1 BB31-8395 [0,1,0,0,0,1|2,0,0]=4 91 B10R1.15 CCC(N)C1=CC=CN=C1 BB31-0914 [0,1,0,0,0,1|2,0,0]=4 92 B10R1.17 CCCCC1=CC=CN=C1 BB31-4701 [0,1,0,0,0,1|2,0,0]=4 93 B10R1.17 NCCCC1=CC=CN=C1 BB31-5719 [0,1,0,0,0,1|1,0,0]=3 94 B10R1.17 NCCNC1=NC=CC=C1 BB52-8028 [0,1,0,0,0,1|1,0,1]=4 95 B10R1.17 NCCOC1=CC=NC=C1 BB32-2674 [0,1,0,0,0,1|1,0,0]=3 96 B10R1.17 NCCOC1=NC=CC=C1 BB31-4550 [0,1,0,0,0,1|1,0,1]=4 97 B10R1.17 NCCSC1=NC=CC=C1 BB52-8924 [0,1,0,0,0,1|1,0,1]=4 98 B10R1.18 N=C(N)CC1=CC=CN=C1 BB52-5807 [0,1,0,0,0,1|1,0,1]=4 99 B10R1.16 CC1=CC=C(CCCN)S1 BB31-0033 [0,2,0,0,0,0|2,0,0]=4 100 B10R1.96 CCC1=NOC(CCN)=N1 BB10-5777 [0,2,0,0,0,0|1,0,1]=4 101 B10R1.130 CC1=NN(CCN)C(C)=N1 BB52-9256 [0,2,0,0,0,0|1,0,1]=4 102 B10R1.21 CCNCCN1C=CN=C1 BB53-0767 [0,2,0,0,0,0|2,0,0]=4 103 B10R1.21 CCNCCN1C=NC=N1 BB53-0279 [0,2,0,0,0,0|1,0,1]=4 104 B10R1.21 NCCNCC1=CC=CO1 BB52-9675 [0,2,0,0,0,0|2,0,0]=4 105 B10R1.29 CNCCN1C=CN=C1C BB53-0897 [0,2,0,0,0,0|2,0,0]=4 106 B10R1.66 O=C(O)CCC1=CC=CN1 BB32-1801 [0,2,0,0,0,0|2,0,0]=4 107 B10R1.5 CCC1=NC=CN1CCN BB52-8962 [0,2,0,0,0,0|2,0,0]=4 108 B8R1.2 NCC1=CC=NC=C1 BB32-3106 [0,0,1,1,0,0|1,0,1]=4 109 B10R2.7 C1=CC2=C(C=N1)CCN2 BB31-4247 [0,0,0,1,0,1|1,0,0]=3 110 B10R2.7 C1=CC2=C(C=N1)CCN2 BB32-3376 [0,0,0,1,0,1|1,0,0]=3 111 B10R2.7 C1=CC2=C(C=N1)NCC2 BB31-4675 [0,0,0,1,0,1|1,0,0]=3 112 B10R2.7 C1=CN=C2CCNC2=C1 BB31-9759 [0,0,0,1,0,1|1,0,1]=4 113 B10R2.7 C1=CN=C2CCNC2=C1 BB32-0564 [0,0,0,1,0,1|1,0,1]=4 114 B10R2.2 CC1=NC2=C(NON2)N1 BB52-7453 [0,1,0,1,0,0|2,0,0]=4 115 B10R2.2 ClC1=NC2=C(CCC2)N1 BB52-6910 [0,1,0,1,0,0|1,0,0]=3 116 B10R2.2 NC1=NC2=C(NON2)N1 BB52-7447 [0,1,0,1,0,0|2,0,0]=4 117 B10R2.2 SC1=NC2=C(NON2)N1 BB52-7452 [0,1,0,1,0,0|2,0,0]=4