0 B14R2.203 O=CC1=C(O)C=CC2=C1C=CC=C2 358223 [0,0,0,0,0,0|1,0,1]=2 1 B13R2.32 CC1=C(N)C2=CC=CC=C2C=C1 009010 [1,0,0,0,0,0|1,0,0]=2 2 B13R2.32 CC1=CC=C2C=CC=CC2=C1Br 321883 [1,0,0,0,0,0|2,0,0]=3 3 B13R2.32 CC1=CC=C2C=CC=CC2=C1O 078657 [1,0,0,0,0,0|2,0,0]=3 4 B13R2.32 NC1=C2C=CC=CC2=CC=C1Br 318213 [1,0,0,0,0,0|1,0,0]=2 5 B13R2.32 NC1=C2C=CC=CC2=CC=C1O 079515 [1,0,0,0,0,0|0,0,0]=1 6 B13R2.32 O=C1C(Br)=COC2=CC=CC=C12 012055 [1,0,0,0,0,0|3,0,0]=4 7 B13R2.32 OC1=C2C=CC=CC2=CC=C1Br 093063 [1,0,0,0,0,0|2,0,0]=3 8 B13R2.32 OC1=CC=C2C=CC=CC2=C1Br 079704 [1,0,0,0,0,0|1,0,0]=2 9 B13R2.1613 BrCC1=C2C=CC=CC2=CC=C1 091837 [1,0,0,0,0,0|1,0,0]=2 10 B13R2.1613 COC1=C2C=CC=CC2=CC=C1 227723 [1,0,0,0,0,0|2,0,0]=3 11 B13R2.1613 ClCC1=C2C=CC=CC2=CC=C1 224633 [1,0,0,0,0,0|1,0,0]=2 12 B13R2.1613 N#CC1=CC=CC2=C1C=CN=C2 078778 [1,0,0,0,0,0|1,0,2]=4 13 B13R2.1613 NCC1=C2C=CC=CC2=CC=C1 092602 [1,0,0,0,0,0|0,0,0]=1 14 B13R2.1613 O=CC1=CC=CC2=C1C=CN=C2 079310 [1,0,0,0,0,0|2,0,1]=4 15 B13R2.1613 O=CC1=CC=CC2=CC=CC=C12 065345 [1,0,0,0,0,0|1,0,1]=3 16 B13R2.1613 OCC1=C2C=CC=CC2=CC=C1 209238 [1,0,0,0,0,0|1,0,0]=2 17 B15R2.1162 CC(=O)C1=C2C=CC=CC2=CC=C1O 470058 [0,1,0,0,0,0|1,0,1]=3 18 B15R2.1162 CC1=C(C(=O)O)C2=CC=CC=C2C=C1 022644 [0,1,0,0,0,0|2,0,1]=4 19 B15R2.1162 CC1=C([N+](=O)[O-])C2=CC=CC=C2C=C1 069103 [0,1,0,0,0,0|3,0,0]=4 20 B13R1.42 CCOC(=O)\C=C\C1=CC=CC=C1 098919 [0,0,1,0,0,0|2,0,1]=4 21 B13R1.575 COC1=C(O)C=CC(\C=C\C=O)=C1 103620 [0,0,1,0,0,0|3,0,0]=4 22 B12R1.27 COC(=O)\C=C\C1=CC=CC=C1 209319 [1,0,1,0,0,0|1,0,1]=4 23 B12R2.24 BrC1=CC2=C(C=CC=C2)N=C1 044937 [2,0,0,0,0,0|2,0,0]=4 24 B12R2.24 BrC1=CC2=C(C=CN=C2)C=C1 038558 [2,0,0,0,0,0|2,0,0]=4 25 B12R2.24 BrC1=CC=C2C=CC=CC2=C1 077976 [2,0,0,0,0,0|1,0,0]=3 26 B12R2.24 BrC1=CC=C2C=CC=NC2=C1 076676 [2,0,0,0,0,0|2,0,0]=4 27 B12R2.24 BrC1=CC=C2C=NC=CC2=C1 036991 [2,0,0,0,0,0|2,0,0]=4 28 B12R2.24 BrC1=CC=C2N=CC=CC2=C1 067503 [2,0,0,0,0,0|2,0,0]=4 29 B12R2.24 BrC1=NC2=CC=CC=C2C=C1 076108 [2,0,0,0,0,0|2,0,0]=4 30 B12R2.24 CC1=CC2=C(C=C1)C=NC=C2 208923 [2,0,0,0,0,0|2,0,0]=4 31 B12R2.24 CC1=CC=C2C=CC=CC2=C1 216647 [2,0,0,0,0,0|1,0,0]=3 32 B12R2.24 CC1=NC2=CC=CC=C2C=C1 078623 [2,0,0,0,0,0|2,0,0]=4 33 B12R2.24 ClC1=CC2=CC=CN=C2C=C1 049700 [2,0,0,0,0,0|2,0,0]=4 34 B12R2.24 IC1=CC2=C(C=CC=C2)C=C1 238872 [2,0,0,0,0,0|1,0,0]=3 35 B12R2.24 NC1=CC2=CC=CC=C2N=C1 064971 [2,0,0,0,0,0|2,0,0]=4 36 B12R2.24 NC1=CC2=CC=CN=C2C=C1 045222 [2,0,0,0,0,0|2,0,0]=4 37 B12R2.24 NC1=CC=C2C=CC=CC2=C1 079046 [2,0,0,0,0,0|1,0,0]=3 38 B12R2.24 NC1=CC=C2C=NC=CC2=C1 036790 [2,0,0,0,0,0|2,0,0]=4 39 B12R2.24 NC1=NC2=CC=CC=C2C=C1 105400 [2,0,0,0,0,0|2,0,0]=4 40 B12R2.24 O=C1C=C2C=CC=CC2=CN1 208952 [2,0,0,0,0,0|1,0,1]=4 41 B12R2.24 O=C1C=CC2=C(C=CC=C2)N1 358402 [2,0,0,0,0,0|1,0,1]=4 42 B12R2.24 O=C1C=CC2=CC=CC=C2O1 239149 [2,0,0,0,0,0|1,0,1]=4 43 B12R2.24 OC1=CC2=CC=CC=C2N=C1 076701 [2,0,0,0,0,0|1,0,0]=3 44 B12R2.24 OC1=CC=C2C=CC=CC2=C1 235727 [2,0,0,0,0,0|0,0,0]=2 45 B12R2.24 OC1=CC=C2C=CC=NC2=C1 076325 [2,0,0,0,0,0|1,0,0]=3 46 B12R2.24 OC1=CC=C2C=CN=CC2=C1 068840 [2,0,0,0,0,0|1,0,0]=3 47 B12R2.24 OC1=CC=C2N=CC=CC2=C1 076700 [2,0,0,0,0,0|1,0,0]=3 48 B12R2.24 SC1=CC=C2C=CC=CC2=C1 227409 [2,0,0,0,0,0|0,1,0]=3 49 B12R2.1081 BrC1=C2C=CC=CC2=CC=C1 222044 [2,0,0,0,0,0|1,0,0]=3 50 B12R2.1081 BrC1=C2N=CC=CC2=CC=C1 040578 [2,0,0,0,0,0|2,0,0]=4 51 B12R2.1081 BrC1=CC=CC2=C1C=CN=C2 038557 [2,0,0,0,0,0|2,0,0]=4 52 B12R2.1081 BrC1=CC=CC2=C1C=NC=C2 038559 [2,0,0,0,0,0|2,0,0]=4 53 B12R2.1081 BrC1=CC=CC2=NC=CC=C12 048864 [2,0,0,0,0,0|2,0,0]=4 54 B12R2.1081 BrC1=CC=NC2=C1C=CC=C2 048863 [2,0,0,0,0,0|2,0,0]=4 55 B12R2.1081 BrC1=CN=CC2=CC=CC=C12 067513 [2,0,0,0,0,0|2,0,0]=4 56 B12R2.1081 CC1=C2N=CC=CC2=CC=C1 001208 [2,0,0,0,0,0|1,0,0]=3 57 B12R2.1081 CC1=CC=CC2=CC=CC=C12 099064 [2,0,0,0,0,0|0,0,0]=2 58 B12R2.1081 CC1=CC=NC2=CC=CC=C12 079132 [2,0,0,0,0,0|1,0,0]=3 59 B12R2.1081 CC1=NC=NC2=CC=CC=C21 180152 [2,0,0,0,0,0|2,0,0]=4 60 B12R2.1081 ClC1=C2C=CC=CC2=NC=C1 049298 [2,0,0,0,0,0|2,0,0]=4 61 B12R2.1081 ClC1=C2C=CC=NC2=CC=C1 092866 [2,0,0,0,0,0|2,0,0]=4 62 B12R2.1081 ClC1=NC=CC2=CC=CC=C21 040234 [2,0,0,0,0,0|2,0,0]=4 63 B12R2.1081 FC1=CC=CC2=CC=CC=C12 002697 [2,0,0,0,0,0|1,0,0]=3 64 B12R2.1081 IC1=CC=CC2=CC=CC=C12 005439 [2,0,0,0,0,0|1,0,0]=3 65 B12R2.1081 NC1=C2C=CC=CC2=CC=C1 216423 [2,0,0,0,0,0|0,0,0]=2 66 B12R2.1081 NC1=C2C=CC=CC2=CC=N1 064975 [2,0,0,0,0,0|1,0,0]=3 67 B12R2.1081 NC1=C2N=CC=CC2=CC=C1 092958 [2,0,0,0,0,0|1,0,0]=3 68 B12R2.1081 NC1=CC=CC2=NC=CC=C12 048215 [2,0,0,0,0,0|1,0,0]=3 69 B12R2.1081 NC1=CC=NC2=CC=CC=C12 076699 [2,0,0,0,0,0|1,0,0]=3 70 B12R2.1081 NC1=CN=CC2=CC=CC=C12 064972 [2,0,0,0,0,0|1,0,0]=3 71 B12R2.1081 NC1=NC=CC2=CC=CN=C21 023746 [2,0,0,0,0,0|2,0,0]=4 72 B12R2.1081 OC1=C2C=CC=CC2=CC=C1 208940 [2,0,0,0,0,0|1,0,0]=3 73 B12R2.1081 OC1=C2C=CC=NC2=CC=C1 076698 [2,0,0,0,0,0|2,0,0]=4 74 B12R2.1081 OC1=C2N=CC=CC2=CC=C1 093034 [2,0,0,0,0,0|2,0,0]=4 75 B12R2.1081 OC1=C2N=CC=CC2=CC=C1 099744 [2,0,0,0,0,0|2,0,0]=4 76 B12R2.1081 OC1=CC=CC2=C1C=CN=C2 076330 [2,0,0,0,0,0|2,0,0]=4 77 B12R2.1081 OC1=CC=NC2=CC=CC=C12 050335 [2,0,0,0,0,0|2,0,0]=4 78 B12R2.1081 OC1=CN=CC2=C1C=CC=C2 093707 [2,0,0,0,0,0|2,0,0]=4 79 B14R2.92 COC1=CC=C2C=CC=CC2=C1Br 231149 [1,1,0,0,0,0|1,0,0]=3 80 B14R2.7724 CC1=CC(=O)C2=C(C=CC=C2)C1=O 049845 [1,1,0,0,0,0|2,0,0]=4 81 B14R2.7724 O=C1C=C(Cl)C(=O)C2=C1C=CC=C2 235819 [1,1,0,0,0,0|2,0,0]=4 82 B14R2.7724 O=C1C=C(O)C(=O)C2=C1C=CC=C2 209636 [1,1,0,0,0,0|1,0,0]=3 83 B14R2.7724 OC1=C2C=CC=CC2=C(Cl)C=C1Cl 229060 [1,1,0,0,0,0|2,0,0]=4 84 B14R2.1131 CC1=CC=C(C#N)C2=CC=CC=C12 122600 [1,1,0,0,0,0|0,0,2]=4 85 B14R2.1131 CC1=CC=C(CCl)C2=CC=CC=C12 018403 [1,1,0,0,0,0|1,0,0]=3 86 B14R2.1131 N#CC1=CC=C(F)C2=CC=CC=C12 004588 [1,1,0,0,0,0|0,0,2]=4 87 B14R2.1131 O=CC1=CC=C(O)C2=CC=CC=C12 146600 [1,1,0,0,0,0|1,0,1]=4 88 B14R2.1146 O=C1C=C(CBr)C2=C(C=CC=C2)N1 078675 [1,1,0,0,0,0|2,0,0]=4 89 B14R2.7150 CSC[N+]1=CC=CC2=CC=CC=C21 188390 [1,1,0,0,0,0|2,0,0]=4 90 B14R2.7150 N#CCC1=CC=CC2=CC=CC=C21 069119 [1,1,0,0,0,0|0,0,1]=3 91 B14R2.7150 OCCC1=CC=CC2=CC=CC=C21 024761 [1,1,0,0,0,0|1,0,0]=3 92 B14R2.7150 S=C=NC1=CC=CC2=CC=CC=C21 018893 [1,1,0,0,0,0|1,0,1]=4 93 B14R2.31359 CC(=O)C1=C2C=CC=CC2=CC=C1 079037 [1,1,0,0,0,0|1,0,1]=4 94 B14R2.31359 CC(N)C1=C2C=CC=CC2=CC=C1 219511 [1,1,0,0,0,0|0,0,0]=2 95 B14R2.31359 CC(O)C1=C2C=CC=CC2=CC=C1 303344 [1,1,0,0,0,0|1,0,0]=3 96 B14R2.31359 CN(C)C1=CC=CC2=CC=CC=C21 003644 [1,1,0,0,0,0|2,0,0]=4 97 B14R2.31359 C[C@@H](N)C1=C2C=CC=CC2=CC=C1 046443 [1,1,0,0,0,0|0,0,0]=2 98 B14R2.31359 C[C@H](N)C1=C2C=CC=CC2=CC=C1 046444 [1,1,0,0,0,0|0,0,0]=2 99 B14R2.31359 NC(=O)C1=CC=CC2=CC=CC=C21 018890 [1,1,0,0,0,0|0,0,1]=3 100 B14R2.31359 NC(=S)C1=CC=CC2=CC=CC=C21 097864 [1,1,0,0,0,0|0,0,1]=3 101 B14R2.31359 O=C(Cl)C1=CC=CC2=C1C=CC=C2 013172 [1,1,0,0,0,0|1,0,1]=4 102 B14R2.31359 O=C(O)C1=C2C=CC=CC2=CC=C1 209592 [1,1,0,0,0,0|1,0,1]=4 103 B14R2.31359 O=[N+]([O-])C1=C2C=CC=CC2=CC=C1 099415 [1,1,0,0,0,0|2,0,0]=4 104 B14R2.31359 OB(O)C1=CC=CC2=C1C=CC=C2 011006 [1,1,0,0,0,0|2,0,0]=4 105 B14R2.517 CC1=C(CCN)C2=C(C=CC=C2)N1 030502 [0,1,0,0,1,0|2,0,0]=4 106 B14R2.21 OC1=CC(C2=CC=CC=C2)=CC=C1 329856 [0,0,1,1,0,0|1,0,1]=4 107 B14R2.24 OC1=CC=CC=C1C2=CC=CC=C2 215994 [0,0,1,1,0,0|1,0,1]=4 108 B14R3.164 C1=CC2=C3C(=C1)C=CC3=CC=C2 214935 [1,0,0,1,0,0|1,0,1]=4 109 B14R3.164 C1=CC2=CC=CC3=C2C(=C1)CC3 995212 [1,0,0,1,0,0|1,0,0]=3 110 B16R3.335 NC1=NC2=C(C=CC3=C2C=CC=C3)S1 358001 [0,1,0,1,0,0|0,1,1]=4 111 B16R3.335 NC1=NC2=C(S1)C3=C(C=CC=C3)C=C2 030009 [0,1,0,1,0,0|1,0,1]=4 112 B12R2.18 CC1=C(C)C2=C(C=CC=C2)N1 223002 [1,0,0,0,1,0|2,0,0]=4 113 B12R2.18 CC1=CC2=C(C=CC=C2)N1C 078998 [1,0,0,0,1,0|2,0,0]=4 114 B12R2.1 OCC1=CNC2=C1C=CC=C2 045221 [1,0,0,0,1,0|2,0,0]=4 115 B12R2.315 CCC1=CC=CC2=C1NC=C2 050046 [1,0,0,0,1,0|2,0,0]=4