0 B14R2.203 CC[N+]1=C2C=CC=CC2=CC=C1C JZ3918 [0,0,0,0,0,0|3,0,0]=3 1 B14R2.203 O=CC1=C2C=CC=CC2=CC=C1F RT11990 [0,0,0,0,0,0|2,0,1]=3 2 B14R2.203 O=NC1=C(O)C=CC2=CC=CC=C21 LQ0580 [0,0,0,0,0,0|2,0,0]=2 3 B13R2.32 CC1=CC=C2C=CC=CC2=C1C JZ3812 [1,0,0,0,0,0|1,0,0]=2 4 B13R2.32 FC1=C(Br)C=CC2=CC=CC=C21 LX2061 [1,0,0,0,0,0|2,0,0]=3 5 B13R2.32 FC1=C2C=CC=NC2=CC=C1Br CJ3023 [1,0,0,0,0,0|3,0,0]=4 6 B13R2.32 FC1=CC=C2C=CC=CC2=C1Br RT12025 [1,0,0,0,0,0|2,0,0]=3 7 B13R2.32 OC1=C(Br)C2=CC=CC=C2C=C1 JZ3811 [1,0,0,0,0,0|1,0,0]=2 8 B13R2.32 OC1=C2N=CC=CC2=CC=C1Cl LT5983 [1,0,0,0,0,0|3,0,0]=4 9 B13R2.32 OC1=CC=C2C=CC=CC2=C1Cl LQ1312 [1,0,0,0,0,0|1,0,0]=2 10 B13R2.32 O[C@@H]1C=CC2=C(C=CC=C2)[C@H]1O RT11613 [1,0,0,0,0,0|1,0,2]=4 11 B13R2.1613 BrCC1=CC=CC2=CC=CC=C21 JZ2222 [1,0,0,0,0,0|1,0,0]=2 12 B13R2.1613 Br[Mg]C1=C2C=CC=CC2=CC=C1 JZ4121 [1,0,0,0,0,0|2,0,0]=3 13 B13R2.1613 C(=O)C1=CN=CC2=CC=CC=C21 YH47964 [1,0,0,0,0,0|2,0,1]=4 14 B13R2.1613 C=CC1=CC=CC2=CC=CC=C12 RT12124 [1,0,0,0,0,0|1,0,1]=3 15 B13R2.1613 CNC1=CC=CC2=CC=CC=C21 YH47256 [1,0,0,0,0,0|2,0,0]=3 16 B13R2.1613 COC1=CC=NC2=CC=CC=C21 JZ3925 [1,0,0,0,0,0|3,0,0]=4 17 B13R2.1613 ClCC1=CC=CC2=CC=CC=C21 YH90655 [1,0,0,0,0,0|1,0,0]=2 18 B13R2.1613 NCC1=CC=CC2=CC=CC=C21 LQ0476 [1,0,0,0,0,0|0,0,0]=1 19 B13R2.1613 NNC1=NN=CC2=CC=CC=C21 JZ1567 [1,0,0,0,0,0|3,0,0]=4 20 B13R2.1613 O=CC1=C2C=CC=NC2=CC=C1 LQ4329 [1,0,0,0,0,0|2,0,1]=4 21 B13R2.1613 O=CC1=C2N=CC=CC2=CC=C1 LT1982 [1,0,0,0,0,0|2,0,1]=4 22 B13R2.1613 O=CC1=CC=NC2=CC=CC=C12 LT0942 [1,0,0,0,0,0|2,0,1]=4 23 B13R2.1613 OCC1=C2C=CC=NC2=CC=C1 YH37991 [1,0,0,0,0,0|2,0,0]=3 24 B13R2.1613 OCC1=CC=CC2=CC=CC=C21 JZ2596 [1,0,0,0,0,0|1,0,0]=2 25 B15R2.1162 CC1=C([N+](=O)[O-])C2=CC=CC=C2C=C1 LT5916 [0,1,0,0,0,0|3,0,0]=4 26 B15R2.1162 O=C(O)C1=C(O)C=NC2=CC=CC=C21 YH26883 [0,1,0,0,0,0|2,0,1]=4 27 B15R2.1162 O=C(O)C1=C2C=CC=CC2=CC=C1O HL2186 [0,1,0,0,0,0|1,0,1]=3 28 B15R2.2115 CCC1=C(CC)C2=C(C=CC=C2)C=N1 LT0851 [0,1,0,0,0,0|3,0,0]=4 29 B13R1.42 CCOC(=O)\C=C/C1=CC=CC=C1 RT6272 [0,0,1,0,0,0|2,0,1]=4 30 B13R2.135 CCN1C(C)=CC2=C1C=CC=C2 CJ2892 [0,0,0,0,1,0|3,0,0]=4 31 B12R1.8 C=C\C=C\C=C\C1=CC=CC=C1 XJ3475 [1,0,1,0,0,0|1,0,1]=4 32 B12R1.8 N#C\C=C\C=C\C1=CC=CC=C1 XJ3474 [1,0,1,0,0,0|0,0,2]=4 33 B12R2.24 BrC1=CC2=CC=CC=C2C=N1 YH56008 [2,0,0,0,0,0|2,0,0]=4 34 B12R2.24 BrC1=CC=C2C=CC=CC2=C1 LQ0656 [2,0,0,0,0,0|1,0,0]=3 35 B12R2.24 BrC1=CC=C2C=CC=CC2=C1 XJ0974 [2,0,0,0,0,0|1,0,0]=3 36 B12R2.24 BrC1=CC=C2C=CC=NC2=C1 XJ2819 [2,0,0,0,0,0|2,0,0]=4 37 B12R2.24 BrC1=CC=C2C=CN=CC2=C1 LQ5444 [2,0,0,0,0,0|2,0,0]=4 38 B12R2.24 BrC1=CC=C2C=NC=CC2=C1 XJ5183 [2,0,0,0,0,0|2,0,0]=4 39 B12R2.24 BrC1=CC=C2N=CC=CC2=C1 RT7804 [2,0,0,0,0,0|2,0,0]=4 40 B12R2.24 BrC1=NC2=CC=CC=C2C=C1 LT6482 [2,0,0,0,0,0|2,0,0]=4 41 B12R2.24 CC1=CC2=CC=CC=C2C=C1 LT6594 [2,0,0,0,0,0|1,0,0]=3 42 B12R2.24 CC1=CC2=CC=CC=C2C=N1 HL0684 [2,0,0,0,0,0|2,0,0]=4 43 B12R2.24 CC1=CC2=CC=CC=C2N=C1 HL0146 [2,0,0,0,0,0|2,0,0]=4 44 B12R2.24 CC1=CC=C2C=CC=NC2=C1 JZ0093 [2,0,0,0,0,0|2,0,0]=4 45 B12R2.24 CC1=CC=C2C=CN=CC2=C1 YH06101 [2,0,0,0,0,0|2,0,0]=4 46 B12R2.24 CC1=CC=C2C=NC=CC2=C1 YH01057 [2,0,0,0,0,0|2,0,0]=4 47 B12R2.24 CC1=CC=C2N=CC=CC2=C1 XJ0200 [2,0,0,0,0,0|2,0,0]=4 48 B12R2.24 ClC1=CC2=CC=CC=C2C=C1 YH95514 [2,0,0,0,0,0|1,0,0]=3 49 B12R2.24 ClC1=CC=C2N=CC=CC2=C1 HL0145 [2,0,0,0,0,0|2,0,0]=4 50 B12R2.24 ClC1=NC2=C(C=CC=C2)C=C1 HL0147 [2,0,0,0,0,0|2,0,0]=4 51 B12R2.24 NC1=CC2=CC=CC=C2C=N1 XJ4820 [2,0,0,0,0,0|2,0,0]=4 52 B12R2.24 NC1=CC2=CN=CC=C2C=C1 YH65501 [2,0,0,0,0,0|2,0,0]=4 53 B12R2.24 NC1=CC=C2C=CC=NC2=C1 XJ0978 [2,0,0,0,0,0|2,0,0]=4 54 B12R2.24 NC1=CC=C2C=NC=CC2=C1 XJ4720 [2,0,0,0,0,0|2,0,0]=4 55 B12R2.24 NC1=CC=C2N=CC=CC2=C1 LT0988 [2,0,0,0,0,0|2,0,0]=4 56 B12R2.24 NC1=CC=C2N=CC=CC2=C1 XJ0975 [2,0,0,0,0,0|2,0,0]=4 57 B12R2.24 NC1=NC2=CC=CC=C2C=C1 LT0815 [2,0,0,0,0,0|2,0,0]=4 58 B12R2.24 O=C1C=CC2=C(C=CC=C2)N1 JZ0091 [2,0,0,0,0,0|1,0,1]=4 59 B12R2.24 O=C1C=CC2=CC=CC=C2O1 JZ0028 [2,0,0,0,0,0|1,0,1]=4 60 B12R2.24 O=N1=CC2=CC=CC=C2C=C1 LQ1854 [2,0,0,0,0,0|1,0,1]=4 61 B12R2.24 OC1=CC2=C(C=CN=C2)C=C1 LQ3306 [2,0,0,0,0,0|1,0,0]=3 62 B12R2.24 OC1=CC2=CC=CC=C2C=C1 JZ1057 [2,0,0,0,0,0|0,0,0]=2 63 B12R2.24 OC1=CC2=CC=CC=C2N=C1 XJ0977 [2,0,0,0,0,0|1,0,0]=3 64 B12R2.24 OC1=CC=C2C=CC=NC2=C1 XJ0979 [2,0,0,0,0,0|1,0,0]=3 65 B12R2.24 OC1=CC=C2N=CC=CC2=C1 JZ1203 [2,0,0,0,0,0|1,0,0]=3 66 B12R2.24 OC1=NC2=CC=CC=C2C=C1 LQ1745 [2,0,0,0,0,0|1,0,0]=3 67 B12R2.24 OC1=NC2=CC=CC=C2C=C1 LT1758 [2,0,0,0,0,0|1,0,0]=3 68 B12R2.24 SC1=CC=C2C=CC=CC2=C1 LT1182 [2,0,0,0,0,0|0,1,0]=3 69 B12R2.24 SC1=NC2=CC=CC=C2C=C1 LT0848 [2,0,0,0,0,0|1,1,0]=4 70 B12R2.1081 BrC1=C2C=CC=NC2=CC=C1 XJ2815 [2,0,0,0,0,0|2,0,0]=4 71 B12R2.1081 BrC1=C2C=NC=CC2=CC=C1 HL4226 [2,0,0,0,0,0|2,0,0]=4 72 B12R2.1081 BrC1=C2N=CC=CC2=CC=C1 LT2176 [2,0,0,0,0,0|2,0,0]=4 73 B12R2.1081 BrC1=CC=CC2=C1C=CN=C2 XJ5182 [2,0,0,0,0,0|2,0,0]=4 74 B12R2.1081 BrC1=CC=CC2=CC=CC=C12 XJ0159 [2,0,0,0,0,0|1,0,0]=3 75 B12R2.1081 BrC1=CC=NC2=CC=CC=C12 LT0896 [2,0,0,0,0,0|2,0,0]=4 76 B12R2.1081 BrC1=CN=CC2=CC=CC=C12 LT3154 [2,0,0,0,0,0|2,0,0]=4 77 B12R2.1081 BrC1=NC=CC2=CC=CC=C21 LQ1853 [2,0,0,0,0,0|2,0,0]=4 78 B12R2.1081 CC1=C2C=CC=CC2=CC=C1 LQ1749 [2,0,0,0,0,0|0,0,0]=2 79 B12R2.1081 CC1=C2C=CC=NC2=CC=C1 YH17881 [2,0,0,0,0,0|1,0,0]=3 80 B12R2.1081 CC1=C2C=CC=NC2=NC=C1 YH37199 [2,0,0,0,0,0|2,0,0]=4 81 B12R2.1081 CC1=C2C=NC=CC2=CC=C1 XJ5995 [2,0,0,0,0,0|1,0,0]=3 82 B12R2.1081 CC1=CC=NC2=CC=CC=C12 LT5993 [2,0,0,0,0,0|1,0,0]=3 83 B12R2.1081 CC1=NC=CC2=CC=CC=C21 JZ4716 [2,0,0,0,0,0|1,0,0]=3 84 B12R2.1081 ClC1=C2C=CC=CC2=CC=C1 XJ0161 [2,0,0,0,0,0|1,0,0]=3 85 B12R2.1081 ClC1=CC=NC2=CC=CC=C12 XJ1119 [2,0,0,0,0,0|2,0,0]=4 86 B12R2.1081 ClC1=NC=CC2=CC=CC=C21 LT0769 [2,0,0,0,0,0|2,0,0]=4 87 B12R2.1081 FC1=C2C=CC=CC2=CN=C1 YH65530 [2,0,0,0,0,0|2,0,0]=4 88 B12R2.1081 NC1=C2C=CC=CC2=CC=C1 LL0535 [2,0,0,0,0,0|0,0,0]=2 89 B12R2.1081 NC1=C2C=CC=NC2=CC=C1 HL3540 [2,0,0,0,0,0|1,0,0]=3 90 B12R2.1081 NC1=C2C=CN=CC2=CC=C1 HL0682 [2,0,0,0,0,0|1,0,0]=3 91 B12R2.1081 NC1=CC=CC2=CC=NC=C12 XJ4721 [2,0,0,0,0,0|1,0,0]=3 92 B12R2.1081 NC1=CC=CC2=CC=NN=C12 CJ2839 [2,0,0,0,0,0|2,0,0]=4 93 B12R2.1081 NC1=CC=CC2=NC=CC=C12 LT0957 [2,0,0,0,0,0|1,0,0]=3 94 B12R2.1081 NC1=CC=NC2=CC=CC=C12 JZ3845 [2,0,0,0,0,0|1,0,0]=3 95 B12R2.1081 NC1=CC=NC2=CC=CN=C12 YH51292 [2,0,0,0,0,0|2,0,0]=4 96 B12R2.1081 NC1=CN=CC2=CC=CC=C12 JZ5615 [2,0,0,0,0,0|1,0,0]=3 97 B12R2.1081 NC1=CN=NC2=CC=CC=C12 LX2247 [2,0,0,0,0,0|2,0,0]=4 98 B12R2.1081 NC1=NN=CC2=C1C=CC=C2 RT2049 [2,0,0,0,0,0|2,0,0]=4 99 B12R2.1081 O=C1C=CNC2=C1C=CC=C2 LT4054 [2,0,0,0,0,0|2,0,0]=4 100 B12R2.1081 OC1=C2C=CC=CC2=CC=C1 LQ1747 [2,0,0,0,0,0|1,0,0]=3 101 B12R2.1081 OC1=C2C=CC=CC2=CC=C1 XJ0163 [2,0,0,0,0,0|1,0,0]=3 102 B12R2.1081 OC1=C2N=CC=CC2=CC=C1 JZ1216 [2,0,0,0,0,0|2,0,0]=4 103 B12R2.1081 OC1=C2N=CC=CC2=CC=C1 LT2173 [2,0,0,0,0,0|2,0,0]=4 104 B12R2.1081 OC1=CC=CC2=CC=CN=C12 JZ1217 [2,0,0,0,0,0|2,0,0]=4 105 B12R2.1081 OC1=CC=CC2=NC=CC=C12 JZ3844 [2,0,0,0,0,0|2,0,0]=4 106 B12R2.1081 OC1=CC=NC2=CC=CC=C12 LT0931 [2,0,0,0,0,0|2,0,0]=4 107 B12R2.1081 OC1=CN=CC2=CC=CC=C12 YH55078 [2,0,0,0,0,0|2,0,0]=4 108 B12R2.1081 OC1=NC=CC2=CC=CC=C21 LL0870 [2,0,0,0,0,0|2,0,0]=4 109 B12R2.1081 SC1=C2C=CC=CC2=CC=C1 LQ0977 [2,0,0,0,0,0|1,0,0]=3 110 B12R2.1081 [O-]C1=C2N=CC=CC2=CC=C1 LT2267 [2,0,0,0,0,0|2,0,0]=4 111 B14R2.92 CNC1=CC=C2C=CC=NC2=C1N RT3268 [1,1,0,0,0,0|2,0,0]=4 112 B14R2.92 CNC1=CC=C2N=CC=CC2=C1N RT3270 [1,1,0,0,0,0|2,0,0]=4 113 B14R2.92 O=NC1=C(O)C2=CC=CC=C2C=C1 LQ0586 [1,1,0,0,0,0|1,0,1]=4 114 B14R2.92 OCC1=C(O)C2=CC=CC=C2N=C1 RT9951 [1,1,0,0,0,0|2,0,0]=4 115 B14R2.4513 O=C1C=CC2=C(O1)C(O)=C(O)C=C2 LL0845 [1,1,0,0,0,0|2,0,0]=4 116 B14R2.7724 CC1=CC(=O)C2=C(C=CC=C2)C1=O LL0020 [1,1,0,0,0,0|2,0,0]=4 117 B14R2.7724 CC1=CC(O)=C2C=CC=CC2=C1O RT12558 [1,1,0,0,0,0|2,0,0]=4 118 B14R2.7724 O=C1C=C(Br)C(=O)C2=C1C=CC=C2 YH65738 [1,1,0,0,0,0|2,0,0]=4 119 B14R2.7724 O=C1C=C(Cl)C(=O)C2=C1C=CC=C2 HL0612 [1,1,0,0,0,0|2,0,0]=4 120 B14R2.7724 O=C1C=C(O)C(=O)C2=CC=CC=C12 HL1152 [1,1,0,0,0,0|1,0,0]=3 121 B14R2.7724 OC1=C(Br)C=C(Br)C2=C1C=CC=C2 HL2085 [1,1,0,0,0,0|2,0,0]=4 122 B14R2.29369 OC1=C(Br)C2=CC=C(Br)C=C2C=C1 YH38117 [1,1,0,0,0,0|1,0,0]=3 123 B14R2.1073 NNC1=CC=CC2=C1C=CC(=O)N2 RT8632 [1,1,0,0,0,0|2,0,0]=4 124 B14R2.1078 COC1=CC=CC2=C(O)C=CC=C12 RT11918 [1,1,0,0,0,0|2,0,0]=4 125 B14R2.1131 C(=O)C1=CC=C(O)C2=C1C=CC=C2 YH18466 [1,1,0,0,0,0|1,0,1]=4 126 B14R2.1131 COC1=CC=C(O)C2=CC=CC=C12 HL1169 [1,1,0,0,0,0|2,0,0]=4 127 B14R2.1131 O=CC1=C2C=CC=CC2=C(Br)C=C1 RT17558 [1,1,0,0,0,0|1,0,1]=4 128 B14R2.1131 O=CC1=C2C=CC=CC2=C(F)C=C1 RT6096 [1,1,0,0,0,0|1,0,1]=4 129 B14R2.1146 O=C1C=C(CBr)C2=CC=CC=C2N1 JZ0144 [1,1,0,0,0,0|2,0,0]=4 130 B14R2.7150 CCOC1=C2N=CC=CC2=CC=C1 JZ4633 [1,1,0,0,0,0|2,0,0]=4 131 B14R2.7150 NCCC1=CC=CC2=CC=CC=C21 LQ5087 [1,1,0,0,0,0|0,0,0]=2 132 B14R2.7150 O=C=NC1=CC=CC2=CC=CC=C21 LQ0191 [1,1,0,0,0,0|1,0,1]=4 133 B14R2.7150 OCCC1=CC=CC2=CC=CC=C21 HL0434 [1,1,0,0,0,0|1,0,0]=3 134 B14R2.11684 O=CC1=C2C=C(F)C=CC2=CC=C1 RT12053 [1,1,0,0,0,0|1,0,1]=4 135 B14R2.31359 C[C@@H](N)C1=CC=CC2=CC=CC=C21 LQ2568 [1,1,0,0,0,0|0,0,0]=2 136 B14R2.31359 C[C@H](O)C1=C2C=CC=CC2=CC=C1 YH37532 [1,1,0,0,0,0|1,0,0]=3 137 B14R2.31359 NC(=O)C1=C2C=CC=CC2=CC=C1 XJ2115 [1,1,0,0,0,0|0,0,1]=3 138 B14R2.31359 O=C(Cl)C1=CC=CC2=CC=CC=C21 HL0485 [1,1,0,0,0,0|1,0,1]=4 139 B14R2.31359 O=C(O)C1=CC=CC2=CC=CC=C21 LQ0184 [1,1,0,0,0,0|1,0,1]=4 140 B14R2.31359 OB(O)C1=CC=CC2=CC=CC=C21 LQ3694 [1,1,0,0,0,0|2,0,0]=4 141 B14R2.517 CC1=C(CCN)C2=CC=CC=C2N1 XJ2284 [0,1,0,0,1,0|2,0,0]=4 142 B14R3.164 C1=CC2=C3C(=C1)C=CC3=CC=C2 RT11456 [1,0,0,1,0,0|1,0,1]=4 143 B14R3.164 C1=CC2=CC=CC3=C2C(=C1)CC3 RT12125 [1,0,0,1,0,0|1,0,0]=3 144 B12R2.82 CC1=C2C=CNC2=CC=C1N YH43607 [1,0,0,0,1,0|2,0,0]=4 145 B12R2.1 CCN1C=CC2=CC=CC=C21 JZ3474 [1,0,0,0,1,0|2,0,0]=4 146 B12R2.1 ClCC1=CSC2=CC=CC=C12 LT0579 [1,0,0,0,1,0|2,0,0]=4 147 B12R2.1 NCC1=CSC2=CC=CC=C12 YH00100 [1,0,0,0,1,0|1,0,0]=3 148 B12R2.1 OCC1=CNC2=C1C=CC=C2 LT4083 [1,0,0,0,1,0|2,0,0]=4 149 B12R2.1 OCC1=CNC2=CC=CC=C12 LT7617 [1,0,0,0,1,0|2,0,0]=4 150 B12R2.315 OCC1=CC=CC2=C1C=CN2 JZ4371 [1,0,0,0,1,0|2,0,0]=4