0 B10R1.15 C=C=C(C)C1=NC=CC=C1 9561AF [0,0,0,0,0,0|2,0,2]=4 1 B10R1.15 C[C@@H](NO)C1=CC=CC=C1 0659AD [0,0,0,0,0,0|1,0,1]=2 2 B10R1.15 C[C@H](NO)C1=CC=CC=C1 9770AE [0,0,0,0,0,0|1,0,1]=2 3 B10R1.15 N#C[C@H](O)C1=CC=CC=C1 0124AA [0,0,0,0,0,0|2,0,1]=3 4 B10R1.15 N=C(NN)C1=CC=CC=C1 Y8569 [0,0,0,0,0,0|3,0,1]=4 5 B10R1.15 NCC(=O)C1=CC=CC=C1 L191 [0,0,0,0,0,0|2,0,2]=4 6 B10R1.15 O[C@@H](CCl)C1=CC=CN=C1 8986AA [0,0,0,0,0,0|3,0,1]=4 7 B9R1.6 C=C(Br)C1=CC=CC=C1 V9920 [1,0,0,0,0,0|1,0,1]=3 8 B9R1.6 C=C(Br)C1=NC=CC=C1 Y9784 [1,0,0,0,0,0|2,0,1]=4 9 B9R1.6 CC(=O)C1=CC=NC=C1 7859AF [1,0,0,0,0,0|1,0,1]=3 10 B9R1.6 CC(C)C1=NC=CN=C1 R572 [1,0,0,0,0,0|2,0,1]=4 11 B9R1.6 CC(I)C1=CC=CC=C1 7383AJ [1,0,0,0,0,0|1,0,0]=2 12 B9R1.6 CN(C)C1=CC=NC=C1 5677AH [1,0,0,0,0,0|2,0,1]=4 13 B9R1.6 CN(N)C1=CC=CC=C1 7753AF [1,0,0,0,0,0|2,0,0]=3 14 B9R1.6 CN(N)C1=CC=CC=C1 7754AF [1,0,0,0,0,0|2,0,0]=3 15 B9R1.6 C[PH](=O)C1=CC=CC=C1 0011AB [1,0,0,0,0,0|1,0,0]=2 16 B9R1.6 NC(=O)C1=NC=CC=C1 7986AJ [1,0,0,0,0,0|2,0,1]=4 17 B9R1.6 O=C(O)C1=CC=CN=C1 7629AF [1,0,0,0,0,0|2,0,1]=4 18 B9R1.6 O=C(O)C1=NC=CC=C1 5114AH [1,0,0,0,0,0|2,0,1]=4 19 B9R1.6 O=C([O-])C1=CC=CC=C1 M138 [1,0,0,0,0,0|1,0,1]=3 20 B9R1.6 O=C([O-])C1=CC=CC=C1 V1440 [1,0,0,0,0,0|1,0,1]=3 21 B9R1.6 O=C([O-])C1=CC=CC=C1 V1449 [1,0,0,0,0,0|1,0,1]=3 22 B9R1.6 O=C([O-])C1=CC=CC=C1 V1986 [1,0,0,0,0,0|1,0,1]=3 23 B9R1.6 O=[N+]([O-])C1=CC=CN=C1 7667AH [1,0,0,0,0,0|3,0,0]=4 24 B9R1.6 O=[PH]([O-])C1=CC=CC=C1 C359 [1,0,0,0,0,0|2,0,0]=3 25 B9R1.8 CCCC1=CN=CC=C1 6392AB [1,0,0,0,0,0|2,0,1]=4 26 B9R1.8 C\C=C\C1=NC=CC=C1 Y6273 [1,0,0,0,0,0|2,0,1]=4 27 B9R1.8 N#C[Se]C1=CC=CC=C1 7419AD [1,0,0,0,0,0|2,0,1]=4 28 B9R1.8 O=C=NC1=CC=CC=C1 9929AF [1,0,0,0,0,0|1,0,1]=3 29 B9R1.8 O\N=C\C1=CC=CC=C1 R588 [1,0,0,0,0,0|1,0,2]=4 30 B11R1.7 NCC(F)(F)C1=CC=CC=C1 5320AJ [0,1,0,0,0,0|2,0,1]=4 31 B11R1.12 CC\C(=N/O)C1=CC=CC=C1 7960AD [0,1,0,0,0,0|1,0,2]=4 32 B11R1.12 N#C\C(=C/O)C1=CC=CC=C1 7615AD [0,1,0,0,0,0|0,0,3]=4 33 B11R1.22 CC1=CC=C(C(=O)C=O)C=C1 X8846 [0,1,0,0,0,0|1,0,1]=3 34 B11R1.22 CC[C@@H](N)C1=CC=C(F)C=C1 X9183 [0,1,0,0,0,0|2,0,1]=4 35 B11R1.22 N#CC(O)C1=CC=C(O)C=C1 7791AL [0,1,0,0,0,0|2,0,1]=4 36 B11R1.22 O=CC(=O)C1=CC=C(Cl)C=C1 6779AB [0,1,0,0,0,0|1,0,1]=3 37 B11R1.23 CC1=CC(C(O)CN)=CC=C1 0300AA [0,1,0,0,0,0|2,0,1]=4 38 B11R1.23 NCC(O)C1=CC=CC(F)=C1 3119AC [0,1,0,0,0,0|2,0,1]=4 39 B11R1.23 NC[C@@H](O)C1=CC(Cl)=CC=C1 2970AH [0,1,0,0,0,0|2,0,1]=4 40 B11R1.23 NC[C@H](O)C1=CC(Cl)=CC=C1 3951AA [0,1,0,0,0,0|2,0,1]=4 41 B11R1.23 O=CC(=O)C1=CC(Br)=CC=C1 1099AL [0,1,0,0,0,0|1,0,1]=3 42 B11R1.36 C=C(C(C)=O)C1=CC=CC=C1 Y8709 [0,1,0,0,0,0|0,0,2]=3 43 B11R1.36 CC(C)[C@@H](O)C1=CC=CC=C1 N106 [0,1,0,0,0,0|2,0,1]=4 44 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 W7885 [0,1,0,0,0,0|2,0,1]=4 45 B11R1.36 FC(F)=C(F)C1=CC=CC=C1 3823AE [0,1,0,0,0,0|2,0,1]=4 46 B11R1.36 O=C(O)C(Br)C1=CC=CN=C1 0971AD [0,1,0,0,0,0|2,0,0]=3 47 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 8062AF [0,1,0,0,0,0|1,0,0]=2 48 B11R1.222 NC[C@H](O)C1=CC=CC=C1Cl 3166AC [0,1,0,0,0,0|2,0,1]=4 49 B11R1.222 NC[C@H](O)C1=CC=CC=C1Cl 6826AC [0,1,0,0,0,0|2,0,1]=4 50 B11R2.1 CC1C=CC2=C1C=CC=C2 1961AC [0,0,0,1,0,0|1,0,0]=2 51 B11R2.1 C[N+]1=CSC2=C1C=CC=C2 6111AL [0,0,0,1,0,0|1,1,0]=3 52 B11R2.1 IC1=CNC2=C1C=CC=C2 2307AJ [0,0,0,1,0,0|2,0,1]=4 53 B11R2.1 NC1=CNC2=C1C=CC=C2 8737AE [0,0,0,1,0,0|2,0,1]=4 54 B11R2.1 N[C@@H]1CCC2=CC=CC=C21 0674AA [0,0,0,1,0,0|2,0,1]=4 55 B11R2.1 OC1=CSC2=CC=CC=C12 Z5532 [0,0,0,1,0,0|1,1,1]=4 56 B11R2.1 O[C@H]1CCC2=C1C=CC=C2 V1332 [0,0,0,1,0,0|2,0,1]=4 57 B11R2.4 N[C@@H]1C[C@H]1C2=CC=CC=C2 4694AJ [0,0,0,1,0,0|1,0,1]=3 58 B11R2.4 N[C@@H]1C[C@H]1C2=CC=CC=C2 8372AH [0,0,0,1,0,0|1,0,1]=3 59 B11R1.40 O=CC(=O)CC1=CC=CC=C1 X3517 [0,0,0,0,0,1|1,0,1]=3 60 B11R1.40 O=C\C(Cl)=C\C1=CC=CC=C1 Z3501 [0,0,0,0,0,1|1,0,1]=3 61 B8R1.2 BrCC1=CN=CC=C1 0834AC [2,0,0,0,0,0|2,0,0]=4 62 B8R1.2 BrCC1=NC=CC=C1 8088AB [2,0,0,0,0,0|2,0,0]=4 63 B8R1.2 CNC1=CC=CC=C1 7883AF [2,0,0,0,0,0|1,0,0]=3 64 B8R1.2 NNC1=CC=CC=C1 5128AF [2,0,0,0,0,0|2,0,0]=4 65 B8R1.2 O=CC1=CC=NC=C1 7668AH [2,0,0,0,0,0|1,0,0]=3 66 B8R1.2 O=[IH2]C1=CC=CC=C1 X3757 [2,0,0,0,0,0|1,0,0]=3 67 B8R1.2 O[Hg]C1=CC=CC=C1 7647AF [2,0,0,0,0,0|1,0,1]=4 68 B10R1.13 CC(N)C1=CC=C(N)C=C1 2415AJ [1,1,0,0,0,0|1,0,0]=3 69 B10R1.13 CN(C)C1=CC=C(N)C=C1 8439AL [1,1,0,0,0,0|1,0,1]=4 70 B10R1.13 C[C@@H](N)C1=CC=C(Cl)C=C1 Z1901 [1,1,0,0,0,0|1,0,0]=3 71 B10R1.13 C[C@@H](N)C1=CC=C(N)C=C1 W7687 [1,1,0,0,0,0|1,0,0]=3 72 B10R1.13 C[C@@H](N)C1=CC=C(O)C=C1 3889AD [1,1,0,0,0,0|1,0,0]=3 73 B10R1.13 NC1=CC=C(C(=O)O)C=C1 5560AH [1,1,0,0,0,0|1,0,1]=4 74 B10R1.13 O=C(Cl)C1=CC=C(Br)C=C1 D232 [1,1,0,0,0,0|1,0,1]=4 75 B10R1.13 OC1=CC=C(C(F)F)C=C1 5425AB [1,1,0,0,0,0|2,0,0]=4 76 B10R1.28 CC(C)(C)C1=NC=CC=C1 X6358 [1,1,0,0,0,0|1,0,1]=4 77 B10R1.28 CC(C)(N)C1=NC=CC=C1 9271AH [1,1,0,0,0,0|1,0,1]=4 78 B10R1.28 C[Ge](C)(C)C1=CC=CC=C1 Y1379 [1,1,0,0,0,0|0,1,1]=4 79 B10R1.28 C[Si](C)(Cl)C1=CC=CC=C1 9417AF [1,1,0,0,0,0|0,1,1]=4 80 B10R1.28 FC(F)(Cl)C1=CC=CC=C1 1114AE [1,1,0,0,0,0|2,0,0]=4 81 B10R1.28 O=S(=O)(Cl)C1=CC=CC=C1 X2233 [1,1,0,0,0,0|2,0,0]=4 82 B10R1.28 O=S(=O)([O-])C1=CC=CC=C1 7631AF [1,1,0,0,0,0|2,0,0]=4 83 B10R1.28 O=S(=O)([O-])C1=CC=CC=C1 7632AF [1,1,0,0,0,0|2,0,0]=4 84 B10R1.28 O=S(=O)([O-])C1=CC=CC=C1 9805AJ [1,1,0,0,0,0|2,0,0]=4 85 B10R1.61 CC(=O)C1=C(Cl)C=CN=C1 Y2027 [1,1,0,0,0,0|1,0,1]=4 86 B10R1.61 CC(O)C1=C(N)C=CC=N1 9430AH [1,1,0,0,0,0|1,0,1]=4 87 B10R1.61 O=C([O-])C1=CC=CC=C1O M628 [1,1,0,0,0,0|1,0,1]=4 88 B10R1.61 O=C([O-])C1=CC=CC=C1O W0024 [1,1,0,0,0,0|1,0,1]=4 89 B10R1.113 CC1=CC([C@H](C)N)=CC=C1 W3021 [1,1,0,0,0,0|1,0,0]=3 90 B10R1.113 C[C@H](N)C1=CC=CC(Cl)=C1 W7854 [1,1,0,0,0,0|1,0,0]=3 91 B10R1.113 ClC1=CC(C(Br)Br)=CC=C1 6026AL [1,1,0,0,0,0|2,0,0]=4 92 B10R1.1 CC1=CC=C(CC=O)C=C1 U064 [1,1,0,0,0,0|0,0,0]=2 93 B10R1.1 CNCC1=CC=C(O)C=C1 9883AL [1,1,0,0,0,0|2,0,0]=4 94 B10R1.1 FC1=CC=C(C[Mg]Cl)C=C1 8149AJ [1,1,0,0,0,0|2,0,0]=4 95 B10R1.1 O=CCC1=CC=C(O)C=C1 Y9945 [1,1,0,0,0,0|0,0,0]=2 96 B10R1.4 C=CCC1=C(C)C=CN=C1 Z0085 [1,1,0,0,0,0|2,0,0]=4 97 B10R1.10 CC1=CC(CCN)=CC=C1 1118AJ [1,1,0,0,0,0|1,0,1]=4 98 B10R1.10 CC1=CC(CCN)=CC=C1 W6970 [1,1,0,0,0,0|1,0,1]=4 99 B10R1.10 N#CCC1=CC(Br)=CC=C1 D570 [1,1,0,0,0,0|1,0,1]=4 100 B10R1.10 NCCC1=CC(O)=CC=C1 1935AJ [1,1,0,0,0,0|1,0,1]=4 101 B10R1.10 NNCC1=CC=CC(Br)=C1 2389AL [1,1,0,0,0,0|2,0,0]=4 102 B10R1.17 C=C\C=C\C1=CC=CC=C1 1673AL [1,1,0,0,0,0|1,0,1]=4 103 B10R1.17 CO\C=C\C1=CC=CC=C1 6472AB [1,1,0,0,0,0|0,0,2]=4 104 B10R1.17 Cl[Mg]CCC1=CC=CC=C1 8993AJ [1,1,0,0,0,0|1,0,1]=4 105 B10R1.17 NNCCC1=CC=CC=C1 5405AE [1,1,0,0,0,0|1,0,1]=4 106 B10R1.17 O=C=NCC1=CC=NC=C1 Y4022 [1,1,0,0,0,0|1,0,1]=4 107 B10R1.18 CC(=O)CC1=NC=CC=N1 1768AC [1,1,0,0,0,0|2,0,0]=4 108 B10R1.18 NC(N)=NC1=CC=CC=C1 Y8090 [1,1,0,0,0,0|2,0,0]=4 109 B10R1.18 O=[N+]([O-])CC1=CC=CC=C1 9362AB [1,1,0,0,0,0|1,0,0]=3 110 B10R1.18 OB(O)CC1=CC=CC=C1 X0808 [1,1,0,0,0,0|1,0,1]=4 111 B10R1.18 OC(=S)CC1=CC=NC=C1 L775 [1,1,0,0,0,0|1,0,1]=4 112 B10R1.23 CC(C(=O)O)N1C=CN=C1 2696AF [0,1,0,0,1,0|2,0,0]=4 113 B10R1.23 NC(C(=O)O)C1=CC=CO1 X7306 [0,1,0,0,1,0|2,0,0]=4 114 B10R1.23 NC(C(=O)O)C1=CC=CS1 Y1430 [0,1,0,0,1,0|2,0,0]=4 115 B12R1.43 CC(=O)\C(C)=C\C1=CC=CC=C1 9899AA [0,1,0,0,0,1|0,0,1]=3 116 B12R1.43 CC(CC1=CC=NC=N1)C(=O)O 1360AH [0,1,0,0,0,1|2,0,0]=4 117 B12R1.43 O=C(O)[C@@H](Cl)CC1=CC=CC=C1 Z6054 [0,1,0,0,0,1|1,0,0]=3 118 B12R1.50 CN[C@@H](C)CC1=CC=CC(O)=C1 9146AH [0,1,0,0,0,1|2,0,0]=4 119 B12R1.194 CNC(C)(C)CC1=CC=CC=C1 O653 [0,1,0,0,0,1|2,0,0]=4 120 B12R1.9 CC1=CC=C(C(C)(C)C#N)C=C1 3184AH [0,2,0,0,0,0|1,0,1]=4 121 B12R1.253 CC(O)(C(=O)O)C1=CC=CC=C1 3965AL [0,2,0,0,0,0|0,0,0]=2 122 B12R1.253 C[C@](N)(C(=O)O)C1=CC=CC=C1 1076AL [0,2,0,0,0,0|0,0,0]=2 123 B12R1.12 CC1=CC=C(C(C=O)C=O)C=C1 9043AD [0,2,0,0,0,0|0,0,1]=3 124 B12R1.12 O=CC(C=O)C1=CC=C(Cl)C=C1 5196AE [0,2,0,0,0,0|0,0,1]=3 125 B12R1.478 CCC(C(N)=O)C1=CC=CC=C1 H642 [0,2,0,0,0,0|0,0,0]=2 126 B12R1.478 CCN(C(C)=O)C1=CC=CC=C1 5694AF [0,2,0,0,0,0|1,0,0]=3 127 B12R1.478 CC[C@@H](C(=O)O)C1=CC=CC=C1 1172AL [0,2,0,0,0,0|0,0,0]=2 128 B12R1.478 CC[C@H](C(=O)O)C1=CC=CC=C1 1255AL [0,2,0,0,0,0|0,0,0]=2 129 B12R1.478 O=C(Cl)N(CCl)C1=CC=CC=C1 S862 [0,2,0,0,0,0|1,0,0]=3 130 B12R1.30 CC(NCCO)C1=CC=CC=C1 7619AE [0,2,0,0,0,0|0,0,2]=4 131 B12R1.30 CCNCC(C)C1=CC=CC=C1 4122AJ [0,2,0,0,0,0|1,0,1]=4 132 B12R1.107 CC(=O)NC(C)C1=CC=CC=C1 7150AJ [0,2,0,0,0,0|0,0,0]=2 133 B12R1.107 NC(=O)CC(N)C1=CC=CN=C1 2028AC [0,2,0,0,0,0|2,0,0]=4 134 B12R1.5 COC1=CC=C(C(=O)C=O)C=C1 1770AL [0,2,0,0,0,0|1,0,1]=4 135 B12R1.5 COC1=CC=C(C(=O)C=O)C=C1 8207AA [0,2,0,0,0,0|1,0,1]=4 136 B12R1.5 N#CC1=CC=C(C(=O)C=O)C=C1 2510AL [0,2,0,0,0,0|1,0,1]=4 137 B12R1.20 NC(C(=O)O)C1=CC=C(I)C=C1 3076AB [0,2,0,0,0,0|1,0,0]=3 138 B12R1.20 NC1=CC=C([C@@H](N)C(=O)O)C=C1 4448AB [0,2,0,0,0,0|1,0,0]=3 139 B12R1.20 O=C(O)[C@H](O)C1=CC=C(O)C=C1 5973AA [0,2,0,0,0,0|1,0,0]=3 140 B12R1.225 NC1=CC(C(N)C(=O)O)=CC=C1 Z5992 [0,2,0,0,0,0|1,0,0]=3 141 B12R1.225 O=C(O)C(O)C1=CC(Br)=CC=C1 4295AE [0,2,0,0,0,0|1,0,0]=3 142 B12R1.124 NC(C(=O)O)C1=CC=CC=C1O W4840 [0,2,0,0,0,0|1,0,0]=3 143 B12R1.564 O=S(=O)([O-])C(O)C1=CC=CC=C1 7869AF [0,2,0,0,0,0|2,0,0]=4 144 B12R1.77 COC1=CC=CC=C1C(C)CN X3857 [0,2,0,0,0,0|1,0,1]=4 145 B10R2.7 C1=CC2=C(CC=C2)N=C1 2529AB [1,0,0,1,0,0|2,0,0]=4 146 B12R2.18 O=C1OC2=C(C=CC=C2)C1=O 6525AJ [0,0,0,1,0,1|1,0,1]=4 147 B12R2.24 CC1CC2=CC=CC=C2CN1 3049AB [0,0,0,1,0,1|2,0,0]=4 148 B12R2.24 CC1CCC2=C(C=CC=C2)N1 U603 [0,0,0,1,0,1|1,0,1]=4 149 B12R2.1 NCC1=CNC2=C1C=CC=C2 W4590 [0,1,0,1,0,0|1,0,1]=4 150 B12R2.1 OCC1=CNC2=CC=CC=C12 2717AD [0,1,0,1,0,0|1,0,1]=4 151 B12R2.1 OCC1=CSC2=CC=CC=C12 Y9385 [0,1,0,1,0,0|0,1,1]=4 152 B12R2.1081 CC1=CN=NC2=C1C=CC=C2 7316AA [0,1,0,1,0,0|1,0,1]=4 153 B12R2.1081 CC1CNCC2=CC=CC=C21 8754AC [0,1,0,1,0,0|1,0,1]=4 154 B12R2.2028 N=C1NC(=O)C2=C1C=CC=C2 Z6021 [0,1,0,1,0,0|1,0,1]=4 155 B12R2.79 NC1CC1C2=CC=C(Cl)C=C2 1165AJ [0,1,0,1,0,0|1,0,1]=4 156 B12R2.612 CC1NCC2=C1C=CC(Br)=C2 3112AJ [0,1,0,1,0,0|2,0,0]=4 157 B12R2.612 C[C@@H]1NCC2=CC(Br)=CC=C21 8404AH [0,1,0,1,0,0|2,0,0]=4 158 B12R2.612 C[C@H]1NCC2=C1C=CC(Br)=C2 8357AH [0,1,0,1,0,0|2,0,0]=4 159 B8R1.7 CC(O)C1=CC=CS1 2224AC [1,0,0,0,1,0|1,0,1]=4 160 B12R1.27 C[C@@H](CO)OCC1=CC=CC=C1 X6055 [0,0,0,0,0,2|0,0,2]=4