0 B14R2.68 CC1=CN=C(C2=CC=CC=C2)C=C1 ACI-04766 [0,0,0,0,0,0|1,0,0]=1 1 B14R2.68 ClC1=CC=C(C2=CC=CC=C2)N=N1 WS-05I-017 [0,0,0,0,0,0|3,0,0]=3 2 B14R2.68 ClC1=CC=C(C2=NC=CC=C2)C=C1 ACI-04757 [0,0,0,0,0,0|2,0,0]=2 3 B14R2.68 FC1=CC=C(C2=NC=CC=C2)C=C1 ACI-04756 [0,0,0,0,0,0|2,0,0]=2 4 B14R2.68 FC1=CN=C(C2=CC=CC=C2)C=C1 ACI-04767 [0,0,0,0,0,0|2,0,0]=2 5 B14R2.68 NC1=CN=C(C2=CC=CC=C2)C=C1 RH-08C-003 [0,0,0,0,0,0|2,0,0]=2 6 B14R2.68 OC1=NN=C(C2=CC=CC=C2)C=C1 WS-05I-016 [0,0,0,0,0,0|3,0,0]=3 7 B14R2.68 SC1=NN=C(C2=CC=CC=C2)C=C1 ACI-01843 [0,0,0,0,0,0|3,0,0]=3 8 B15R2.1 BrCC1=CC=C(C2=CC=CN=C2)C=C1 ACI-06348 [0,1,0,0,0,0|1,0,0]=2 9 B15R2.1 BrCC1=CC=C(C2=NC=CC=C2)C=C1 ACI-06346 [0,1,0,0,0,0|1,0,0]=2 10 B15R2.1 C(=O)C1=CC=C(C2=CC=CC=C2)C=C1 ACI-02280 [0,1,0,0,0,0|0,0,1]=2 11 B15R2.1 COC1=CC=C(C2=NC=CC=C2)C=C1 ACI-04754 [0,1,0,0,0,0|1,0,0]=2 12 B15R2.1 NCC1=CN=C(C2=CC=CC=C2)C=C1 RR-11D-001 [0,1,0,0,0,0|1,0,0]=2 13 B15R2.1 O=CC1=CC=C(C2=CC=CN=C2)C=C1 ACI-04227 [0,1,0,0,0,0|1,0,1]=3 14 B15R2.1 O=CC1=CC=C(C2=CN=CN=C2)C=C1 ACI-04225 [0,1,0,0,0,0|2,0,1]=4 15 B15R2.1 O=CC1=CN=C(C2=CC=CC=C2)C=C1 ACI-06283 [0,1,0,0,0,0|1,0,1]=3 16 B15R2.1 OCC1=CC=C(C2=CC=CC=C2)C=C1 ACI-02281 [0,1,0,0,0,0|0,0,0]=1 17 B15R2.1 OCC1=CC=C(C2=NC=CC=C2)C=C1 FD-10J-004 [0,1,0,0,0,0|1,0,0]=2 18 B15R2.3 OC1=NC=C(C2=CC=C(Cl)C=C2)C=C1 ACI-01400 [0,1,0,0,0,0|2,0,0]=3 19 B15R2.3 [O-][N+]1=CC=C(C2=CC=C(F)C=C2)C=C1 ACI-02051 [0,1,0,0,0,0|2,0,0]=3 20 B15R2.28 NC1=CC=C(C2=NC(S)=NC=C2)C=C1 RH-05L-004 [0,1,0,0,0,0|3,0,0]=4 21 B15R2.389 ClC1=CC(Cl)=NN=C1C2=CC=CC=C2 ACI-02225 [0,1,0,0,0,0|3,0,0]=4 22 B15R2.389 O=C1C=C(Cl)C(C2=CC=CC=C2)=NN1 ACI-02224 [0,1,0,0,0,0|3,0,0]=4 23 B13R1.45 CN(C)\C=C\C(=O)C1=CC=CC=C1 ACI-01669 [0,0,1,0,0,0|2,0,1]=4 24 B13R2.10 BrC1=CC=C(C2=NC=CC=C2)S1 ACI-01116 [0,0,0,0,1,0|3,0,0]=4 25 B13R2.10 BrC1=NC(C2=CC=CC=C2)=CO1 ACI-06274 [0,0,0,0,1,0|3,0,0]=4 26 B13R2.10 CC1=NC(C2=CC=CC=C2)=NO1 ACI-05007 [0,0,0,0,1,0|3,0,0]=4 27 B13R2.10 ClC1=NC(C2=CC=CC=C2)=CO1 ACI-01368 [0,0,0,0,1,0|3,0,0]=4 28 B13R2.10 ClC1=NC(C2=CC=CC=C2)=CS1 ACI-01283 [0,0,0,0,1,0|3,0,0]=4 29 B13R2.10 IC1=CN(C2=CC=CC=C2)N=C1 ACI-04690 [0,0,0,0,1,0|3,0,0]=4 30 B13R2.10 OC1=NC(C2=CC=CC=C2)=CO1 ACI-01367 [0,0,0,0,1,0|3,0,0]=4 31 B13R2.10 OC1=NC(C2=CC=CC=C2)=CS1 ACI-01282 [0,0,0,0,1,0|3,0,0]=4 32 B13R2.12 BrC1=CC=C(C2=CC=CS2)C=C1 RH-06H-001 [0,0,0,0,1,0|2,0,0]=3 33 B13R2.12 BrC1=CC=C(N2C=CC=N2)C=C1 ACI-00722 [0,0,0,0,1,0|3,0,0]=4 34 B13R2.12 CC1=CC=C(N2C=CC=N2)C=C1 JL-10A-001 [0,0,0,0,1,0|2,0,0]=3 35 B13R2.12 ClC1=CC=C(N2C=CC=N2)C=C1 ACI-00723 [0,0,0,0,1,0|3,0,0]=4 36 B13R2.12 FC1=CC=C(C2=CNN=C2)C=C1 ACI-01040 [0,0,0,0,1,0|3,0,0]=4 37 B13R2.12 NC1=CC=C(C2=CC=CS2)C=C1 RH-06H-003 [0,0,0,0,1,0|2,0,0]=3 38 B13R2.12 NC1=CC=C(C2=CN=CO2)C=C1 ACI-01365 [0,0,0,0,1,0|3,0,0]=4 39 B13R2.12 NC1=CC=C(N2C=CC=C2)C=C1 ACI-NI-00439 [0,0,0,0,1,0|2,0,0]=3 40 B12R1.252 CC(=O)\C=C\NC1=CC=CC=C1 ACI-01543 [1,0,1,0,0,0|2,0,0]=4 41 B14R2.21 CC1=CC(C2=CC=CC=C2)=NC=C1 ACI-04765 [1,1,0,0,0,0|1,0,0]=3 42 B14R2.21 CC1=CC(C2=NC=CC=C2)=CC=C1 ACI-04761 [1,1,0,0,0,0|1,0,0]=3 43 B14R2.21 NC1=NC=CC(C2=CC=CC=C2)=N1 ACI-00092 [1,1,0,0,0,0|2,0,0]=4 44 B14R2.24 CC1=C(C2=CC=NC=C2)C=CC=C1 JM-12E-001 [1,1,0,0,0,0|1,0,0]=3 45 B14R2.24 CC1=CC=CC=C1C2=CC=CC=N2 RH-10J-004 [1,1,0,0,0,0|1,0,0]=3 46 B14R2.8 BrCC1=CC(C2=CC=CC=C2)=NO1 ACI-01490 [0,1,0,0,1,0|2,0,0]=4 47 B14R2.8 ClCC1=CSC(C2=CC=CC=C2)=N1 FD-09F-007 [0,1,0,0,1,0|2,0,0]=4 48 B14R2.8 NCC1=CC(C2=CC=CC=C2)=NO1 ACI-01491 [0,1,0,0,1,0|2,0,0]=4 49 B14R2.8 NCC1=CC=C(C2=NC=CC=C2)S1 ACI-01119 [0,1,0,0,1,0|2,0,0]=4 50 B14R2.8 NCC1=CSC(C2=CC=CC=C2)=N1 RH-08J-003 [0,1,0,0,1,0|2,0,0]=4 51 B14R2.8 O=CC1=CC(C2=CC=CC=C2)=CS1 ACI-06280 [0,1,0,0,1,0|1,0,1]=4 52 B14R2.8 O=CC1=CC=C(C2=CC=CC=C2)O1 ACI-06279 [0,1,0,0,1,0|1,0,1]=4 53 B14R2.8 O=CC1=CC=C(C2=CC=CC=C2)S1 ACI-06277 [0,1,0,0,1,0|1,0,1]=4 54 B14R2.8 O=CC1=CNC(C2=CC=CC=C2)=C1 ACI-05845 [0,1,0,0,1,0|1,0,1]=4 55 B14R2.8 OCC1=CC(C2=CC=CC=C2)=NO1 ACI-01489 [0,1,0,0,1,0|2,0,0]=4 56 B14R2.8 OCC1=CNC(C2=CC=CC=C2)=C1 ACI-05844 [0,1,0,0,1,0|1,0,0]=3 57 B14R2.20 CC1=NC(C2=CC=C(N)C=C2)=CS1 JL-11I-001 [0,1,0,0,1,0|2,0,0]=4 58 B14R2.20 CN1C=CC(C2=CC=C(N)C=C2)=N1 RJC-02G-001 [0,1,0,0,1,0|2,0,0]=4 59 B14R2.22 CC1=NC(C2=CC=CC(N)=C2)=CS1 ACI-NI-00425 [0,1,0,0,1,0|2,0,0]=4 60 B14R2.22 CC1=NSC(C2=CC=CC(N)=C2)=C1 ACI-NI-00739 [0,1,0,0,1,0|2,0,0]=4 61 B14R2.22 CN1C=CC(C2=CC=CC(N)=C2)=N1 ACI-NI-00421 [0,1,0,0,1,0|2,0,0]=4 62 B14R2.256 CC1=NC(C2=C(N)C=CC=C2)=CS1 ACI-05585 [0,1,0,0,1,0|2,0,0]=4 63 B14R2.256 CC1=NC=C(C2=CC=CC=C2N)S1 ACI-00257 [0,1,0,0,1,0|2,0,0]=4 64 B14R2.256 CN1C=CC(C2=C(N)C=CC=C2)=N1 ACI-NI-00423 [0,1,0,0,1,0|2,0,0]=4 65 B14R2.260 CC1=C(C)SC(C2=CC=CC=C2)=N1 ACI-04277 [0,1,0,0,1,0|2,0,0]=4 66 B14R2.260 CC1=C(O)N=C(C2=CC=CC=C2)S1 ACI-01281 [0,1,0,0,1,0|2,0,0]=4 67 B14R2.260 CN1N=C(C2=CC=CC=C2)C=C1N ACI-00639 [0,1,0,0,1,0|2,0,0]=4 68 B14R2.598 CC1=CC(C)=NN1C2=CC=CC=C2 ACI-00746 [0,1,0,0,1,0|2,0,0]=4 69 B14R2.1 BrCC1=CC=C(C2=NC=CS2)C=C1 RH-08F-002 [0,1,0,0,1,0|2,0,0]=4 70 B14R2.1 BrCC1=CC=C(N2C=CC=C2)C=C1 ACI-02613 [0,1,0,0,1,0|1,0,0]=3 71 B14R2.1 COC1=CC=C(N2C=CC=C2)C=C1 ACI-00949 [0,1,0,0,1,0|1,0,0]=3 72 B14R2.1 NCC1=CC=C(C2=NC=CS2)C=C1 RH-08F-001 [0,1,0,0,1,0|2,0,0]=4 73 B14R2.1 NCC1=CC=C(N2C=CC=N2)C=C1 JM-05L-002 [0,1,0,0,1,0|2,0,0]=4 74 B14R2.1 O=CC1=CC=C(C2=CC=CS2)C=C1 ACI-06289 [0,1,0,0,1,0|1,0,1]=4 75 B14R2.1 O=CC1=CC=C(N2C=CC=C2)C=C1 ACI-05582 [0,1,0,0,1,0|1,0,1]=4 76 B14R2.1 OCC1=CC=C(C2=NC=CS2)C=C1 RH-08F-003 [0,1,0,0,1,0|2,0,0]=4 77 B14R2.1 OCC1=CC=C(N2C=CC=C2)C=C1 ACI-05580 [0,1,0,0,1,0|1,0,0]=3 78 B16R2.2 ClCC1=CC=C(OC2=CC=CC=C2)N=C1 ACI-05754 [0,1,0,0,0,1|1,0,0]=3 79 B16R2.2 OCC1=CC=C(OC2=CC=CC=C2)N=C1 ACI-05743 [0,1,0,0,0,1|1,0,0]=3 80 B16R2.131 NC1=CC=CC(OC2=CC=C(F)C=C2)=C1 ACI-03779 [0,1,0,0,0,1|1,0,0]=3 81 B16R2.7 CNCC1=CC=C(C2=CC=CN=C2)C=C1 ACI-04228 [0,2,0,0,0,0|1,0,0]=3 82 B16R2.7 CNCC1=CC=C(C2=CN=CN=C2)C=C1 ACI-04226 [0,2,0,0,0,0|2,0,0]=4 83 B16R2.13 CC1=CC=C(C2=CC=C(C=O)C=C2)C=C1 ACI-02364 [0,2,0,0,0,0|0,0,0]=2 84 B16R2.13 CC1=CC=C(C2=CC=C(CO)C=C2)C=C1 ACI-02363 [0,2,0,0,0,0|0,0,0]=2 85 B16R2.13 O=CC1=CC=C(C2=NC=C(Br)C=C2)C=C1 ACI-00464 [0,2,0,0,0,0|1,0,1]=4 86 B16R2.85 CC(=O)C1=CC=C(C2=CC=CC=C2)C=C1 ACI-002278 [0,2,0,0,0,0|0,0,0]=2 87 B16R2.85 CC(=O)C1=CC=C(C2=CC=CC=C2)N=C1 ACI-03787 [0,2,0,0,0,0|1,0,0]=3 88 B16R2.85 CC(=O)C1=CC=C(C2=CN=CC=C2)N=C1 ACI-03918 [0,2,0,0,0,0|2,0,0]=4 89 B16R2.85 CC(=O)C1=CC=C(C2=NC=CC=C2)C=C1 ACI-04758 [0,2,0,0,0,0|1,0,0]=3 90 B16R2.85 CC(O)C1=CC=C(C2=CC=CC=C2)C=C1 ACI-02279 [0,2,0,0,0,0|0,0,0]=2 91 B16R2.85 O=C(O)C1=CC=C(C2=CC=NC=C2)C=C1 RH-07I-001 [0,2,0,0,0,0|1,0,1]=4 92 B16R2.85 O=[N+]([O-])C1=CN=C(C2=CC=CC=C2)C=C1 RH-12F-003 [0,2,0,0,0,0|2,0,0]=4 93 B16R2.175 FC1=CC=C(C2=CN=CC(CCl)=C2)C=C1 ACI-02050 [0,2,0,0,0,0|2,0,0]=4 94 B16R2.175 N#CC1=NC=CC(C2=CC=C(F)C=C2)=C1 ACI-02052 [0,2,0,0,0,0|2,0,0]=4 95 B16R2.175 OCC1=CC(C2=CC=C(F)C=C2)=CN=C1 ACI-02049 [0,2,0,0,0,0|2,0,0]=4 96 B16R2.175 OCC1=NC=CC(C2=CC=C(F)C=C2)=C1 ACI-02054 [0,2,0,0,0,0|2,0,0]=4 97 B16R2.2321 N#CC1=CC(C2=CC=CC=C2)=CN=C1O ACI01410 [0,2,0,0,0,0|2,0,0]=4 98 B16R2.26 CC1=CC=C(C2=CC=CC=C2C#N)C=C1 ACI-01606 [0,2,0,0,0,0|0,0,0]=2 99 B12R2.2 C1=CC=C(C2=CN=CO2)C=C1 JM-08K-044 [1,0,0,0,1,0|2,0,0]=4 100 B12R2.2 C1=CC=C(C2=COC=N2)C=C1 ACI-02620 [1,0,0,0,1,0|2,0,0]=4 101 B12R2.2 C1=CC=C(C2=NNC=C2)C=C1 WS-04J-002 [1,0,0,0,1,0|2,0,0]=4 102 B12R2.2 C1=CC=C(N2C=CC=N2)C=C1 ACI-04689 [1,0,0,0,1,0|2,0,0]=4 103 B12R2.2 C1=CN=C(C2=CC=CS2)C=C1 JM-03K-001 [1,0,0,0,1,0|2,0,0]=4 104 B16R2.132 CC1=NC=C(OCC2=CC=CC=C2)C=C1 ACI-04372 [0,0,0,0,0,2|1,0,0]=3 105 B16R2.132 NC1=CC=C(NCC2=CC=CC=C2)N=C1 SB-05A-001 [0,0,0,0,0,2|2,0,0]=4