0 B13R2.1613 BrCC1=CC=CC2=CC=CC=C21 JZ2222 [0,0,0,0,0,0|4,0,0]=4 1 B13R2.1613 Br[Mg]C1=C2C=CC=CC2=CC=C1 JZ4121 [0,0,0,0,0,0|4,0,0]=4 2 B13R2.1613 C(=O)C1=CN=CC2=CC=CC=C21 YH47964 [0,0,0,0,0,0|3,0,0]=3 3 B13R2.1613 C=CC1=CC=CC2=CC=CC=C12 RT12124 [0,0,0,0,0,0|4,0,0]=4 4 B13R2.1613 CNC1=CC=CC2=CC=CC=C21 YH47256 [0,0,0,0,0,0|3,0,0]=3 5 B13R2.1613 ClCC1=CC=CC2=CC=CC=C21 YH90655 [0,0,0,0,0,0|4,0,0]=4 6 B13R2.1613 NCC1=CC=CC2=CC=CC=C21 LQ0476 [0,0,0,0,0,0|3,0,0]=3 7 B13R2.1613 NNC1=NN=CC2=CC=CC=C21 JZ1567 [0,0,0,0,0,0|0,0,0]=0 8 B13R2.1613 OCC1=CC=CC2=CC=CC=C21 JZ2596 [0,0,0,0,0,0|4,0,0]=4 9 B12R2.1081 BrC1=CC=CC2=CC=CC=C12 XJ0159 [1,0,0,0,0,0|3,0,0]=4 10 B12R2.1081 BrC1=CN=CC2=CC=CC=C12 LT3154 [1,0,0,0,0,0|2,0,0]=3 11 B12R2.1081 BrC1=NC=CC2=CC=CC=C21 LQ1853 [1,0,0,0,0,0|2,0,0]=3 12 B12R2.1081 CC1=C2C=CC=CC2=CC=C1 LQ1749 [1,0,0,0,0,0|3,0,0]=4 13 B12R2.1081 CC1=NC=CC2=CC=CC=C21 JZ4716 [1,0,0,0,0,0|2,0,0]=3 14 B12R2.1081 ClC1=C2C=CC=CC2=CC=C1 XJ0161 [1,0,0,0,0,0|3,0,0]=4 15 B12R2.1081 ClC1=C2C=CC=CC2=NC=N1 YH04906 [1,0,0,0,0,0|3,0,0]=4 16 B12R2.1081 ClC1=NC=CC2=CC=CC=C21 LT0769 [1,0,0,0,0,0|2,0,0]=3 17 B12R2.1081 ClC1=NN=CC2=C1C=CC=C2 RT6316 [1,0,0,0,0,0|1,0,0]=2 18 B12R2.1081 FC1=C2C=CC=CC2=CN=C1 YH65530 [1,0,0,0,0,0|2,0,0]=3 19 B12R2.1081 NC1=C2C=CC=CC2=CC=C1 LL0535 [1,0,0,0,0,0|2,0,0]=3 20 B12R2.1081 NC1=C2C=CC=NC2=CC=C1 HL3540 [1,0,0,0,0,0|3,0,0]=4 21 B12R2.1081 NC1=C2C=CN=CC2=CC=C1 HL0682 [1,0,0,0,0,0|3,0,0]=4 22 B12R2.1081 NC1=CC=CC2=CC=NC=C12 XJ4721 [1,0,0,0,0,0|3,0,0]=4 23 B12R2.1081 NC1=CC=CC2=NC=CC=C12 LT0957 [1,0,0,0,0,0|3,0,0]=4 24 B12R2.1081 NC1=CC=NC2=CC=CC=C12 JZ3845 [1,0,0,0,0,0|3,0,0]=4 25 B12R2.1081 NC1=CN=CC2=CC=CC=C12 JZ5615 [1,0,0,0,0,0|1,0,0]=2 26 B12R2.1081 NC1=CN=NC2=CC=CC=C12 LX2247 [1,0,0,0,0,0|2,0,0]=3 27 B12R2.1081 NC1=NN=CC2=C1C=CC=C2 RT2049 [1,0,0,0,0,0|0,0,0]=1 28 B12R2.1081 O=C1NN=NC2=CC=CC=C12 XJ0164 [1,0,0,0,0,0|2,0,1]=4 29 B12R2.1081 OC1=C2C=CC=CC2=CC=C1 LQ1747 [1,0,0,0,0,0|3,0,0]=4 30 B12R2.1081 OC1=C2C=CC=CC2=CC=C1 XJ0163 [1,0,0,0,0,0|3,0,0]=4 31 B12R2.1081 OC1=CN=CC2=CC=CC=C12 YH55078 [1,0,0,0,0,0|2,0,0]=3 32 B12R2.1081 OC1=NC=CC2=CC=CC=C21 LL0870 [1,0,0,0,0,0|2,0,0]=3 33 B12R2.1081 OC1=NC=CC2=CC=CN=C21 YH13515 [1,0,0,0,0,0|3,0,0]=4 34 B12R2.1081 OC1=NC=NC2=CC=CC=C21 LL0872 [1,0,0,0,0,0|3,0,0]=4 35 B12R2.1081 S=C1NN=CC2=C1C=CC=C2 RT13128 [1,0,0,0,0,0|1,0,1]=3 36 B12R2.1081 SC1=C2C=CC=CC2=CC=C1 LQ0977 [1,0,0,0,0,0|3,0,0]=4 37 B14R2.1073 NNC1=CC=CC2=C1C=CC(=O)N2 RT8632 [0,1,0,0,0,0|3,0,0]=4 38 B14R2.1131 CC1=NN=C(NN)C2=C1C=CC=C2 RT0475 [0,1,0,0,0,0|0,0,0]=1 39 B14R2.1131 CC1=NN=C(NN)C2=C1C=CC=C2 RT6202 [0,1,0,0,0,0|0,0,0]=1 40 B14R2.1131 COC1=CN=C(Br)C2=C1C=CC=C2 YH66196 [0,1,0,0,0,0|3,0,0]=4 41 B14R2.7150 NCCC1=CC=CC2=CC=CC=C21 LQ5087 [0,1,0,0,0,0|3,0,0]=4 42 B14R2.31359 C[C@@H](N)C1=CC=CC2=CC=CC=C21 LQ2568 [0,1,0,0,0,0|3,0,0]=4 43 B14R2.31359 NC(=O)C1=C2C=CC=CC2=CC=C1 XJ2115 [0,1,0,0,0,0|3,0,0]=4 44 B12R1.77 COC1=CC=CC=C1C(=O)NN XJ3327 [0,0,1,0,0,0|3,0,0]=4 45 B12R2.1 BrCC1=NOC2=CC=CC=C21 LT5834 [0,0,0,0,1,0|3,0,0]=4 46 B12R2.1 NCC1=CSC2=CC=CC=C12 YH00100 [0,0,0,0,1,0|3,0,0]=4 47 B12R2.1 O=CC1=NNC2=CC=CC=C21 LQ2784 [0,0,0,0,1,0|2,0,1]=4 48 B12R2.1 OCC1=NOC2=CC=CC=C21 YH66546 [0,0,0,0,1,0|3,0,0]=4 49 B11R1.222 NNC(=O)C1=C(Cl)C=CC=C1 HL3028 [1,0,1,0,0,0|2,0,0]=4 50 B11R1.222 NNC(=O)C1=C(O)C=CC=C1 JZ0198 [1,0,1,0,0,0|2,0,0]=4 51 B11R1.222 NNC(=O)C1=CC=CC=C1Cl YH66690 [1,0,1,0,0,0|2,0,0]=4 52 B11R2.20 C1=CC=C2C=CC=CC2=C1 HL4449 [2,0,0,0,0,0|2,0,0]=4 53 B11R2.20 C1=CC=C2N=CN=CC2=C1 LQ0671 [2,0,0,0,0,0|2,0,0]=4 54 B13R2.162 ClC1=C2C=C(Br)C=CC2=CC=N1 LL2626 [1,1,0,0,0,0|2,0,0]=4 55 B13R2.162 NC1=CC2=C(N)N=CN=C2C=C1 RT2207 [1,1,0,0,0,0|2,0,0]=4 56 B13R2.162 NC1=CC=CC2=CC=C(O)C=C12 JZ0005 [1,1,0,0,0,0|2,0,0]=4 57 B13R2.328 CC1=CC(N)=C2C=CC=CC2=C1 YH65546 [1,1,0,0,0,0|2,0,0]=4 58 B13R2.342 NC1=CC=CC2=C(Cl)C=CC=C12 YH65513 [1,1,0,0,0,0|2,0,0]=4 59 B13R2.342 NC1=CC=CC2=C(O)C=CC=C12 JZ0013 [1,1,0,0,0,0|2,0,0]=4 60 B13R2.342 OC1=NC=CC2=C(O)C=CC=C12 RT10697 [1,1,0,0,0,0|2,0,0]=4 61 B13R2.371 NC1=C2C=CC=CC2=C(Cl)C=C1 LQ2691 [1,1,0,0,0,0|2,0,0]=4 62 B13R2.371 NC1=CC=C(Br)C2=CC=CC=C12 HL2198 [1,1,0,0,0,0|2,0,0]=4 63 B13R2.371 NC1=CC=C(O)C2=CC=CC=C12 LQ2974 [1,1,0,0,0,0|2,0,0]=4 64 B13R2.5179 NC1=C2C=CC(Br)=CC2=CC=N1 YH46425 [1,1,0,0,0,0|1,0,0]=3 65 B13R2.72 N=C(N)N1N=NC2=CC=CC=C21 RT5932 [0,1,0,0,1,0|2,0,0]=4 66 B13R2.18 BrC1=C(C2=NN=NN2)C=CC=C1 HL4467 [0,0,1,1,0,0|1,0,1]=4 67 B13R2.18 CC1=CC=CC=C1C2=NN=NN2 LQ5179 [0,0,1,1,0,0|0,0,2]=4 68 B11R2.1 BrC1=NNC2=CC=CC=C21 LX3057 [1,0,0,0,1,0|1,0,1]=4 69 B11R2.1 CC1=NOC2=C1C=CC=C2 RT6278 [1,0,0,0,1,0|2,0,0]=4 70 B11R2.1 CN1N=CC2=C1C=CC=C2 XJ3909 [1,0,0,0,1,0|2,0,0]=4 71 B11R2.1 ClC1=NSC2=C1C=CC=C2 LQ3345 [1,0,0,0,1,0|2,0,0]=4 72 B11R2.1 IC1=NNC2=CC=CC=C21 YH12813 [1,0,0,0,1,0|1,0,1]=4 73 B11R2.1 NC1=NSC2=C1C=CC=C2 LQ4347 [1,0,0,0,1,0|1,0,0]=3 74 B11R2.1 NN1C=CC2=CC=CC=C21 LQ5244 [1,0,0,0,1,0|2,0,0]=4 75 B11R2.1 NN1N=NC2=CC=CC=C21 XJ1857 [1,0,0,0,1,0|1,0,0]=3 76 B11R2.1 O=C1C=CC2=C1C=CC=C2 YH65542 [1,0,0,0,1,0|2,0,0]=4 77 B11R2.1 ON1N=NC2=CC=CC=C21 LT7863 [1,0,0,0,1,0|2,0,0]=4 78 B11R2.1 ON1N=NC2=CC=CC=C21 RT15166 [1,0,0,0,1,0|2,0,0]=4 79 B11R2.106 NC1=NC=CC2=C1C=CN2 YH09388 [1,0,0,0,1,0|2,0,0]=4