0 B10R2.7 C1=CC2=NN=CN2C=C1 ACI-04750 [0,0,0,0,0,0|3,0,0]=3 1 B10R2.7 C1=CC2=NN=CN2N=C1 ACI-04748 [0,0,0,0,0,0|4,0,0]=4 2 B11R2.1 BrC1=C2C=CC=CN2N=C1 ACI-04684 [0,1,0,0,0,0|2,0,0]=3 3 B11R2.1 BrC1=C2C=NC=CN2N=C1 ACI-04687 [0,1,0,0,0,0|3,0,0]=4 4 B11R2.1 BrC1=CSC2=C1C=CC=C2 ACI-00699 [0,1,0,0,0,0|1,0,0]=2 5 B11R2.1 BrC1=NN=C2C=CC=CN12 ACI-04751 [0,1,0,0,0,0|3,0,0]=4 6 B11R2.1 CC1=COC2=C1C=CC=C2 ACI-01521 [0,1,0,0,0,0|1,1,0]=3 7 B11R2.1 CC1=CSC2=C1C=CC=C2 ACI-02476 [0,1,0,0,0,0|1,0,0]=2 8 B11R2.1 CN1CCC2=CC=CC=C21 JM-06J-001 [0,1,0,0,0,0|1,0,2]=4 9 B11R2.1 NC1=NNC2=C1C=CC=C2 ACI-NI-00387 [0,1,0,0,0,0|2,0,1]=4 10 B11R2.1 OC1=NOC2=C1C=CC=C2 ACI-00380 [0,1,0,0,0,0|2,1,0]=4 11 B11R2.1 SC1=NN=C2C=CC=CN12 WS-05A-005 [0,1,0,0,0,0|3,0,0]=4 12 B11R2.10 ClC1=NC2=C(C=CC=C2)N1 ACI-00930 [0,1,0,0,0,0|1,0,0]=2 13 B11R2.10 NC1=NC2=CC=CN=C2N1 ACI-04394 [0,1,0,0,0,0|2,0,0]=3 14 B11R2.10 OC1=NC2=NC=CC=C2O1 SB-05C-023 [0,1,0,0,0,0|1,1,0]=3 15 B11R2.10 S=C1CC2=CC=CC=C2N1 ACI-00937 [0,1,0,0,0,0|1,0,1]=3 16 B11R2.10 SC1=NC2=C(C=CC=C2)S1 ACI-01509 [0,1,0,0,0,0|0,0,0]=1 17 B11R2.36 BrC1=CC2=NSN=C2C=C1 WS-04F-004 [0,1,0,0,0,0|2,0,0]=3 18 B11R2.36 FC1=CN2C=CN=C2C=C1 ACI-04229 [0,1,0,0,0,0|2,0,0]=3 19 B11R2.36 NC1=CC2=C(C=C1)NN=N2 RJC-03E-005 [0,1,0,0,0,0|2,0,0]=3 20 B11R2.36 NC1=CC2=C(C=C1)OC=C2 ACI-05788 [0,1,0,0,0,0|1,1,0]=3 21 B11R2.36 NC1=CC2=C(C=C1)SC=N2 ACI-00493 [0,1,0,0,0,0|0,0,0]=1 22 B11R2.36 OC1=CC2=C(C=C1)OC=C2 ACI-05787 [0,1,0,0,0,0|1,1,0]=3 23 B11R2.106 BrC1=C2OCCC2=CC=C1 ACI-NI-00707 [0,1,0,0,0,0|1,1,1]=4 24 B11R2.106 BrC1=C2SC=CC2=CC=C1 WS-05J-007 [0,1,0,0,0,0|1,0,0]=2 25 B11R2.106 BrC1=CC=CC2=C1N=CN2 ACI-01524 [0,1,0,0,0,0|1,0,0]=2 26 B11R2.106 BrC1=CC=CC2=C1OC=C2 ACI-02292 [0,1,0,0,0,0|1,1,0]=3 27 B11R2.106 CC1=CC=CC2=NON=C12 SB-10G-004 [0,1,0,0,0,0|2,0,0]=3 28 B11R2.106 CC1=CC=CC2=NSN=C12 ACI-02687 [0,1,0,0,0,0|2,0,0]=3 29 B11R2.106 ClC1=C2C=CNC2=NC=C1 JM-05F-099 [0,1,0,0,0,0|2,0,1]=4 30 B11R2.106 ClC1=C2SN=NC2=CC=C1 RH-05K-005 [0,1,0,0,0,0|1,0,0]=2 31 B11R2.106 ClC1=CC=NC2=NC=NN12 JM-10H-001 [0,1,0,0,0,0|3,0,0]=4 32 B11R2.106 NC1=CC=CC2=C1C=CO2 ACI-05785 [0,1,0,0,0,0|1,1,0]=3 33 B11R2.106 NC1=CC=CC2=C1N=CS2 ACI-00632 [0,1,0,0,0,0|0,0,0]=1 34 B11R2.106 NC1=CC=CC2=C1SC=N2 FD-09B-001 [0,1,0,0,0,0|0,0,0]=1 35 B11R2.106 NC1=CC=CC2=NSN=C12 ACI-02688 [0,1,0,0,0,0|2,0,0]=3 36 B11R2.106 OC1=CC=CC2=C1C=CO2 ACI-05784 [0,1,0,0,0,0|1,1,0]=3 37 B11R2.106 OC1=CC=NC2=NC=NN12 JM-10H-002 [0,1,0,0,0,0|3,0,0]=4 38 B9R1.8 NOCC1=CC=CC=C1 ACI-01578 [0,0,1,0,0,0|2,0,1]=4 39 B9R1.8 O=CNC1=CC=CC=C1 ACI-01582 [0,0,1,0,0,0|0,1,1]=3 40 B9R1.15 CNC1=CC=CC=C1O ACI-05339 [0,0,1,0,0,0|0,1,2]=4 41 B9R1.15 ClCC1=CC=CC=C1Br ACI-03860 [0,0,1,0,0,0|3,0,0]=4 42 B9R1.15 NCC1=CC=CC=C1O ACI-02209 [0,0,1,0,0,0|2,1,0]=4 43 B11R2.20 C1=CC=C2OCCNC2=C1 ACI-00558 [0,0,0,0,0,1|0,1,2]=4 44 B10R1.17 OCCSC1=CC=CC=C1 ACI-02409 [0,1,1,0,0,0|1,0,1]=4 45 B10R1.18 N=C(N)NC1=CC=CC=C1 ACI-04704 [0,1,1,0,0,0|1,0,0]=3 46 B10R1.18 NC(=S)CC1=CC=CC=C1 SB-02C-001 [0,1,1,0,0,0|1,0,1]=4 47 B10R1.18 NC(N)=NC1=CC=CC=C1 ACI-00069 [0,1,1,0,0,0|1,0,0]=3 48 B10R1.66 CC(=O)\C=C\C1=CSC=C1 RH-05D-001 [0,1,1,0,0,0|1,0,1]=4 49 B12R2.24 O=C1CNC2=CC=CC=C2O1 ACI-02216 [0,1,0,0,0,1|0,1,1]=4 50 B12R2.24 O=C1NC2=CC=CC=C2CO1 ACI-02206 [0,1,0,0,0,1|0,1,1]=4 51 B12R2.24 O=C1NCC2=CC=CC=C2O1 ACI-02210 [0,1,0,0,0,1|0,1,1]=4 52 B12R2.24 OC1=CN=C2C=CC=CC2=N1 ACI-01320 [0,1,0,0,0,1|1,0,0]=3 53 B12R2.1081 ClC1=C2C=CC=CC2=NN=C1 ACI-06636 [0,1,0,0,0,1|1,0,0]=3 54 B12R2.1081 O=C1NC=CC2=CN=CC=C12 ACI-02497 [0,1,0,0,0,1|2,0,0]=4 55 B12R2.1081 OC1=C2C=CC=CC2=NN=C1 ACI-06635 [0,1,0,0,0,1|1,0,0]=3 56 B12R2.1 ClCC1=COC2=CC=CC=C12 ACI-05949 [0,2,0,0,0,0|1,1,0]=4 57 B12R2.1 N#CC1=CNC2=C1C=CC=C2 ACI-00379 [0,2,0,0,0,0|1,0,1]=4 58 B12R2.1 O=CC1=COC2=C1C=CC=C2 ACI-01517 [0,2,0,0,0,0|1,1,0]=4 59 B12R2.1 O=CC1=CSC2=C1C=CC=C2 ACI-00483 [0,2,0,0,0,0|1,0,0]=3 60 B12R2.1 OCC1=COC2=CC=CC=C12 ACI-05948 [0,2,0,0,0,0|1,1,0]=4 61 B12R2.18 CC1=C(Br)C2=C(C=CC=C2)S1 ACI-00954 [0,2,0,0,0,0|1,0,0]=3 62 B12R2.18 CN1C(=O)CC2=CC=CC=C21 RH-11F-002 [0,2,0,0,0,0|1,0,1]=4 63 B12R2.132 CC1=CSC2=CC=C(Br)C=C12 ACI-05326 [0,2,0,0,0,0|1,0,0]=3 64 B12R2.132 CC1=CSC2=CC=C(Cl)C=C12 JM-03G-003 [0,2,0,0,0,0|1,0,0]=3 65 B12R2.132 CC1=CSC2=CC=C(F)C=C12 JM-04J-011 [0,2,0,0,0,0|1,0,0]=3 66 B12R2.132 FC1=CN2C(Br)=CN=C2C=C1 ACI-04231 [0,2,0,0,0,0|2,0,0]=4 67 B12R2.132 FC1=CN2C(I)=CN=C2C=C1 ACI-04230 [0,2,0,0,0,0|2,0,0]=4 68 B12R2.203 CN1C=CC2=CC=CC(Br)=C21 RH-08K-005 [0,2,0,0,0,0|1,0,1]=4 69 B12R2.612 CN1C=CC2=C1C=CC(Br)=C2 JM-07I-001 [0,2,0,0,0,0|1,0,1]=4 70 B12R2.2403 O=S1(=O)C=CC2=CC=CC=C21 ACI-03834 [0,2,0,0,0,0|1,0,1]=4 71 B12R2.32 BrCC1=NC2=C(C=CC=C2)S1 ACI-00484 [0,2,0,0,0,0|0,0,0]=2 72 B12R2.32 COC1=NC2=CC=CC=C2N1 ACI-06429 [0,2,0,0,0,0|1,0,0]=3 73 B12R2.32 ClCC1=NC2=C(C=CC=C2)N1 ACI-NI-00442 [0,2,0,0,0,0|1,0,0]=3 74 B12R2.32 ClCC1=NC2=NC=CC=C2O1 ACI-00988 [0,2,0,0,0,0|1,1,0]=4 75 B12R2.32 N#CC1=CC2=C(C=CC=C2)O1 ACI-01522 [0,2,0,0,0,0|1,1,0]=4 76 B12R2.32 NNC1=NC2=C(C=CC=C2)N1 ACI-00229 [0,2,0,0,0,0|1,0,0]=3 77 B12R2.32 NNC1=NC2=C(C=CC=C2)O1 SB-07D-002 [0,2,0,0,0,0|0,1,0]=3 78 B12R2.32 O=CC1=CC2=C(C=CC=C2)N1 ACI-02595 [0,2,0,0,0,0|1,0,1]=4 79 B12R2.32 O=CC1=CC2=C(C=CC=C2)O1 ACI-00894 [0,2,0,0,0,0|1,1,0]=4 80 B12R2.32 O=CC1=CC2=C(C=CC=C2)S1 ACI-00958 [0,2,0,0,0,0|1,0,0]=3 81 B12R2.32 O=CC1=CC2=C(N=CC=C2)S1 ACI-02151 [0,2,0,0,0,0|2,0,0]=4 82 B12R2.32 OCC1=CC2=C(C=CC=C2)N1 ACI-02594 [0,2,0,0,0,0|1,0,1]=4 83 B12R2.32 OCC1=CC2=C(N=CC=C2)S1 ACI-02152 [0,2,0,0,0,0|2,0,0]=4 84 B12R2.32 OCC1=CN2C=CC=CC2=N1 ACI-04809 [0,2,0,0,0,0|2,0,0]=4 85 B12R2.202 CC1=CN2C(C)=CC=CC2=N1 JM-08K-005 [0,2,0,0,0,0|2,0,0]=4 86 B12R2.202 NC1=C2OC(=O)NC2=CC=C1 ACI-05945 [0,2,0,0,0,0|0,1,1]=4 87 B12R2.202 NC1=CC=CC2=C1NC(=O)N2 ACI-04839 [0,2,0,0,0,0|1,0,1]=4 88 B12R2.606 CC1=CC=C2N=C(N)NC2=N1 ACI-04390 [0,2,0,0,0,0|2,0,0]=4 89 B12R2.606 CC1=NC2=C(C=CC(Br)=C2)S1 ACI-00966 [0,2,0,0,0,0|0,0,0]=2 90 B12R2.606 ClC1=CC=C2N=C(Cl)SC2=C1 WS-05C-016 [0,2,0,0,0,0|0,0,0]=2 91 B12R2.606 NC1=CC2=C(C=C1)N=C(Br)S2 ACI-02398 [0,2,0,0,0,0|0,0,0]=2 92 B12R2.606 NC1=CC=C2N=C(Cl)SC2=C1 JM-06D-002 [0,2,0,0,0,0|0,0,0]=2 93 B12R2.606 NC1=CC=C2NC(=O)OC2=C1 ACI-02618 [0,2,0,0,0,0|0,1,1]=4 94 B12R2.606 NC1=NC2=C(C=C(Br)C=C2)S1 ACI-NI-00297 [0,2,0,0,0,0|0,0,0]=2 95 B12R2.606 NC1=NC2=C(C=C(O)C=C2)S1 ACI-00489 [0,2,0,0,0,0|0,0,0]=2 96 B12R2.606 SC1=NC2=C(C=C(Br)C=C2)S1 ACI-01508 [0,2,0,0,0,0|0,0,0]=2 97 B12R2.606 SC1=NC2=C(C=C(Cl)C=C2)S1 ACI-01507 [0,2,0,0,0,0|0,0,0]=2 98 B12R2.44 COC1=CC2=C(C=C1)OC=C2 ACI-05786 [0,2,0,0,0,0|1,1,0]=4 99 B12R2.44 O=CC1=CC2=NON=C2C=C1 RH-08H-002 [0,2,0,0,0,0|2,0,0]=4 100 B12R2.44 O=CC1=CC=C2OC=CC2=C1 ACI-05337 [0,2,0,0,0,0|1,1,0]=4 101 B12R2.44 O=CC1=CC=C2SC=CC2=C1 JM-04I-002 [0,2,0,0,0,0|1,0,0]=3 102 B12R2.44 OCC1=CC=C2SC=CC2=C1 ACI-04962 [0,2,0,0,0,0|1,0,0]=3 103 B12R2.44 OCC1=CN2C=CN=C2C=C1 JM-07F-001 [0,2,0,0,0,0|2,0,0]=4 104 B12R2.100 BrC1=CC2=NSN=C2C=C1Br ACI-02614 [0,2,0,0,0,0|2,0,0]=4 105 B12R2.246 CC1=CC(Br)=C2OC=CC2=C1 RH-12A-001 [0,2,0,0,0,0|1,1,0]=4 106 B12R2.315 BrCC1=C2SC=CC2=CC=C1 ACI-04965 [0,2,0,0,0,0|1,0,0]=3 107 B12R2.315 BrCC1=CC=CC2=NON=C12 SB-10H-002 [0,2,0,0,0,0|2,0,0]=4 108 B12R2.315 BrCC1=CC=CC2=NSN=C12 ACI-02686 [0,2,0,0,0,0|2,0,0]=4 109 B12R2.315 N#CC1=CC=CC2=C1OC=C2 JM-10D-002 [0,2,0,0,0,0|1,1,0]=4 110 B12R2.315 NCC1=C2SC=CC2=CC=C1 ACI-04964 [0,2,0,0,0,0|1,0,0]=3 111 B12R2.315 NCC1=CC=CC2=NSN=C12 ACI-02684 [0,2,0,0,0,0|2,0,0]=4 112 B12R2.315 O=CC1=C2SC=CC2=CC=C1 WS-05L-001 [0,2,0,0,0,0|1,0,0]=3 113 B12R2.315 O=CC1=CC=CC2=NC=CN12 ACI-04972 [0,2,0,0,0,0|2,0,0]=4 114 B12R2.315 O=CC1=CC=CC2=NSN=C12 ACI-02689 [0,2,0,0,0,0|2,0,0]=4 115 B12R2.315 O=CC1=CC=CN2C=CN=C12 ACI-04977 [0,2,0,0,0,0|2,0,0]=4 116 B12R2.315 OCC1=C2SC=CC2=CC=C1 ACI-04963 [0,2,0,0,0,0|1,0,0]=3 117 B12R2.315 OCC1=CC=CN2C=CN=C12 ACI-04976 [0,2,0,0,0,0|2,0,0]=4