0 B11R1.12 CCB(CC)C1=CC=CN=C1 7H60-1-03 [0,0,0,0,0,0|4,0,0]=4 1 B11R1.12 CCN(CC)C1=CC=CC=C1 3632-1-X0 [0,0,0,0,0,0|3,0,0]=3 2 B11R1.12 CNC(C#N)C1=CC=CC=C1 3637-5-0B [0,0,0,0,0,0|3,0,0]=3 3 B11R1.12 COC(CO)C1=CC=CC=C1 2607-1-0Z [0,0,0,0,0,0|2,0,0]=2 4 B11R1.12 COC(OC)C1=CC=CC=C1 2608-1-X0 [0,0,0,0,0,0|0,0,0]=0 5 B11R1.12 O=CC(C=O)C1=CC=CC=C1 2615-1-X5 [0,0,0,0,0,0|4,0,0]=4 6 B10R1.15 CC(CN)C1=CC=CC=C1 3730-1-Z4 [1,0,0,0,0,0|2,0,0]=3 7 B10R1.15 CN(C=O)C1=CC=CC=C1 4648-1-01 [1,0,0,0,0,0|3,0,0]=4 8 B10R1.15 COC(=N)C1=CC=CC=C1 4636-5-01 [1,0,0,0,0,0|1,0,1]=3 9 B10R1.15 COC(=O)C1=CC=NC=C1 4H23-1-N3 [1,0,0,0,0,0|1,0,2]=4 10 B10R1.15 C[C@H](NO)C1=CC=CC=C1 4647-1-S0 [1,0,0,0,0,0|2,0,0]=3 11 B10R1.15 C\C=C(/F)C1=CC=CC=C1 1900-3-27 [1,0,0,0,0,0|2,0,1]=4 12 B10R1.15 NCC(O)C1=CC=CC=C1 4656-1-T1 [1,0,0,0,0,0|2,0,0]=3 13 B10R1.15 NCC(O)C1=CC=CN=C1 4H56-5-Q3 [1,0,0,0,0,0|3,0,0]=4 14 B10R1.15 NC[C@@H](O)C1=CC=CC=C1 4656-1-R1 [1,0,0,0,0,0|2,0,0]=3 15 B10R1.15 NC[C@H](O)C1=CC=CC=C1 4656-1-S1 [1,0,0,0,0,0|2,0,0]=3 16 B10R1.15 N[C@H](CO)C1=CC=CC=C1 4656-1-S3 [1,0,0,0,0,0|3,0,0]=4 17 B10R1.15 O=NN(O)C1=CC=CC=C1 4647-1-01 [1,0,0,0,0,0|3,0,0]=4 18 B10R1.15 OC[C@@H](O)C1=CC=CC=C1 2604-1-S1 [1,0,0,0,0,0|2,0,0]=3 19 B10R1.15 O[C@H](CCl)C1=CC=CC=C1 2602-5-S1 [1,0,0,0,0,0|2,0,0]=3 20 B10R1.15 [C@H](C)(CN)C1=CC=CC=C1 3730-1-Y2 [1,0,0,0,0,0|2,0,0]=3 21 B10R1.15 [C@H](N)(CO)C1=CC=CC=C1 4630-1-V2T [1,0,0,0,0,0|3,0,0]=4 22 B10R1.15 [C@H](N)(CO)C1=CC=CC=C1 4656-1-V2 [1,0,0,0,0,0|3,0,0]=4 23 B12R1.12 CCN(CC)C1=CC=C(C)C=C1 3732-1-X6 [0,1,0,0,0,0|3,0,0]=4 24 B12R1.12 COC(OC)C1=CC=C(Br)C=C1 2608-9-04 [0,1,0,0,0,0|0,0,0]=1 25 B12R1.13 COC(OC)C1=CC=NC(C)=N1 4H08-1-24 [0,1,0,0,0,0|2,0,0]=3 26 B12R1.478 CN(C)C(C#N)C1=CC=CC=C1 3637-5-0A [0,1,0,0,0,0|3,0,0]=4 27 B12R1.478 CN(C)C(CN)C1=CC=CC=C1 3730-1-X7 [0,1,0,0,0,0|3,0,0]=4 28 B12R1.478 COC(C(=O)O)C1=CC=CC=C1 2621-1-Z1 [0,1,0,0,0,0|2,0,0]=3 29 B12R1.478 CO[C@H](C(=O)O)C1=CC=CC=C1 2621-1-S3 [0,1,0,0,0,0|2,0,0]=3 30 B12R2.2 C1=CC(C2CCCN2)=CC=N1 3H31-1-XE [0,0,0,1,0,0|3,0,0]=4 31 B12R2.2 C1=CC=C(C2CCCN2)C=C1 P911-A-43 [0,0,0,1,0,0|2,0,0]=3 32 B12R2.2 C1=CC=C(C2CCCN2)N=C1 3H32-1-Q0 [0,0,0,1,0,0|3,0,0]=4 33 B12R2.2 C1=CC=C(C2NCCS2)C=C1 7H70-1-Y2 [0,0,0,1,0,0|1,1,0]=3 34 B12R2.2 C1=CN=CC(C2CCCN2)=C1 3H31-1-Z4 [0,0,0,1,0,0|3,0,0]=4 35 B10R1.9 COC(OC)C1=NNC=C1 4H08-1-X0 [0,0,0,0,1,0|2,0,0]=3 36 B9R1.6 CC(Br)C1=CC=CC=C1 1700-9-01 [2,0,0,0,0,0|1,0,0]=3 37 B9R1.6 CC(C)C1=CC=CC=N1 3H32-1-C8 [2,0,0,0,0,0|1,0,0]=3 38 B9R1.6 CC(N)C1=CC=CC=N1 3H30-1-P4 [2,0,0,0,0,0|2,0,0]=4 39 B9R1.6 CC(N)C1=CC=CN=C1 3H30-1-P5 [2,0,0,0,0,0|2,0,0]=4 40 B9R1.6 CC(N)C1=CC=NC=C1 3H30-1-2G [2,0,0,0,0,0|2,0,0]=4 41 B9R1.6 CC(O)C1=CC=CC=N1 4H02-1-X1 [2,0,0,0,0,0|1,0,0]=3 42 B9R1.6 CC(O)C1=CC=NC=C1 4H02-1-06 [2,0,0,0,0,0|1,0,0]=3 43 B9R1.6 CC(S)C1=CC=CC=C1 5661-1-06 [2,0,0,0,0,0|0,1,0]=3 44 B9R1.6 CN(C)C1=CC=CC=C1 3632-1-01 [2,0,0,0,0,0|1,0,0]=3 45 B9R1.6 CN(C)C1=CC=CN=C1 3H32-1-73 [2,0,0,0,0,0|2,0,0]=4 46 B9R1.6 CN(C)C1=CC=NC=C1 3H32-1-04 [2,0,0,0,0,0|2,0,0]=4 47 B9R1.6 C[C@@H](N)C1=CC=CC=C1 3630-1-R4 [2,0,0,0,0,0|1,0,0]=3 48 B9R1.6 C[C@@H](O)C1=CC=CC=C1 2602-1-R0 [2,0,0,0,0,0|0,0,0]=2 49 B9R1.6 C[C@H](N)C1=CC=CC=C1 3630-1-S2 [2,0,0,0,0,0|1,0,0]=3 50 B9R1.6 C[C@H](O)C1=CC=CC=C1 2602-1-S0 [2,0,0,0,0,0|0,0,0]=2 51 B9R1.6 O=C(O)C1=CC=CC=C1 2621-1-21 [2,0,0,0,0,0|0,0,2]=4 52 B9R1.6 OB(O)C1=CC=CC=C1 P612-A-71 [2,0,0,0,0,0|1,0,0]=3 53 B9R1.6 OB(O)C1=CC=CN=C1 P612-A-88 [2,0,0,0,0,0|2,0,0]=4 54 B9R1.6 OB(O)C1=CC=NC=C1 8H60-1-H7 [2,0,0,0,0,0|2,0,0]=4 55 B9R1.6 OB(O)C1=CC=NC=C1 8H60-5-L7 [2,0,0,0,0,0|2,0,0]=4 56 B9R1.8 BrCCC1=CC=CC=C1 1700-9-47 [2,0,0,0,0,0|2,0,0]=4 57 B9R1.8 CCCC1=CC=NC=C1 3H32-1-Z1 [2,0,0,0,0,0|2,0,0]=4 58 B9R1.8 CNCC1=CC=CC=C1 3631-1-X0 [2,0,0,0,0,0|1,0,0]=3 59 B9R1.8 CNCC1=CC=CC=N1 3H31-1-8T [2,0,0,0,0,0|2,0,0]=4 60 B9R1.8 CNCC1=CC=CN=C1 3H31-1-P0 [2,0,0,0,0,0|2,0,0]=4 61 B9R1.8 CNCC1=CC=NC=C1 3H31-1-U2 [2,0,0,0,0,0|2,0,0]=4 62 B9R1.8 COCC1=CC=CC=N1 4H07-1-Y1 [2,0,0,0,0,0|1,0,0]=3 63 B9R1.8 C\C=C\C1=CC=CC=C1 1900-1-02 [2,0,0,0,0,0|1,0,1]=4 64 B9R1.8 C\C=C\C1=CC=CC=C1 1900-1-04 [2,0,0,0,0,0|1,0,1]=4 65 B9R1.8 N#CCC1=CC=CC=C1 3737-1-01 [2,0,0,0,0,0|2,0,0]=4 66 B9R1.8 NCCC1=CC=CC=C1 3630-1-17 [2,0,0,0,0,0|2,0,0]=4 67 B9R1.8 NOCC1=CC=CC=C1 4647-5-01 [2,0,0,0,0,0|1,0,0]=3 68 B9R1.8 OCCC1=CC=CC=C1 2601-1-0U [2,0,0,0,0,0|2,0,0]=4 69 B9R1.8 ONCC1=CC=CC=C1 4647-5-23 [2,0,0,0,0,0|2,0,0]=4 70 B9R1.8 SCCC1=CC=CC=C1 5661-1-05 [2,0,0,0,0,0|2,0,0]=4 71 B11R1.7 CC(C)(C#N)C1=CC=CC=C1 3637-1-Z0 [1,1,0,0,0,0|2,0,0]=4 72 B11R1.7 COS(=O)(=O)C1=CC=CC=C1 6663-1-Y2 [1,1,0,0,0,0|1,0,1]=4 73 B11R1.16 CC(N=C=S)C1=CC=CC=C1 7768-1-26 [1,1,0,0,0,0|1,0,1]=4 74 B11R1.16 CN(CCO)C1=CC=CC=C1 4632-1-0D [1,1,0,0,0,0|2,0,0]=4 75 B11R1.16 C[C@@H](N=C=S)C1=CC=CC=C1 7768-1-25 [1,1,0,0,0,0|1,0,1]=4 76 B11R1.16 C[C@H](N=C=O)C1=CC=CC=C1 4649-1-05 [1,1,0,0,0,0|1,0,1]=4 77 B11R1.16 C[C@H](N=C=S)C1=CC=CC=C1 7768-1-27 [1,1,0,0,0,0|1,0,1]=4 78 B11R1.16 N#CCC(O)C1=CC=CC=C1 4637-1-X0 [1,1,0,0,0,0|1,0,1]=4 79 B11R1.16 O=C(OCCl)C1=CC=CC=C1 2623-5-02 [1,1,0,0,0,0|0,0,2]=4 80 B11R1.16 O[C@@H](CCCl)C1=CC=CC=C1 2602-5-04 [1,1,0,0,0,0|1,0,0]=3 81 B11R1.22 CC(C#N)C1=CC=C(N)C=C1 3637-1-X7 [1,1,0,0,0,0|2,0,0]=4 82 B11R1.22 CCC(C)C1=CC=C(O)C=C1 2715-1-1S [1,1,0,0,0,0|1,0,0]=3 83 B11R1.22 CCC(N)C1=CC=C(F)C=C1 3630-3-74 [1,1,0,0,0,0|2,0,0]=4 84 B11R1.22 CCC(O)C1=CC=C(F)C=C1 2602-3-24 [1,1,0,0,0,0|1,0,0]=3 85 B11R1.22 CNC(C)C1=CC=C(F)C=C1 3631-3-04 [1,1,0,0,0,0|1,0,0]=3 86 B11R1.22 CN[C@@H](C)C1=CC=C(F)C=C1 3631-3-S4 [1,1,0,0,0,0|1,0,0]=3 87 B11R1.22 COC(=O)C1=CC=C(Br)C=C1 2623-9-39 [1,1,0,0,0,0|0,0,2]=4 88 B11R1.22 COC(=O)C1=CC=C(C)C=C1 2723-1-X2 [1,1,0,0,0,0|0,0,2]=4 89 B11R1.22 COC(=O)C1=CC=C(Cl)C=C1 2623-5-01 [1,1,0,0,0,0|0,0,2]=4 90 B11R1.22 COC(=O)C1=CC=C(F)C=C1 2623-3-64 [1,1,0,0,0,0|0,0,2]=4 91 B11R1.22 COC(=O)C1=CC=C(I)C=C1 2623-H-09 [1,1,0,0,0,0|0,0,2]=4 92 B11R1.22 COC(=O)C1=CC=C(N)C=C1 4658-1-15 [1,1,0,0,0,0|0,0,2]=4 93 B11R1.23 CCC(N)C1=CC=CC(F)=C1 3630-3-73 [1,1,0,0,0,0|2,0,0]=4 94 B11R1.23 CCC(O)C1=CC(F)=CC=C1 2602-3-23 [1,1,0,0,0,0|1,0,0]=3 95 B11R1.23 CNC(C)C1=CC=CC(F)=C1 3631-3-23 [1,1,0,0,0,0|1,0,0]=3 96 B11R1.23 COC(=O)C1=CC(Br)=CC=C1 2623-9-06 [1,1,0,0,0,0|0,0,2]=4 97 B11R1.23 COC(=O)C1=CC(F)=CC=C1 2623-3-15 [1,1,0,0,0,0|0,0,2]=4 98 B11R1.23 COC(=O)C1=CC=CC(C)=C1 2723-1-Y1 [1,1,0,0,0,0|0,0,2]=4 99 B11R1.23 COC(=O)C1=CC=CC(N)=C1 4630-1-X2 [1,1,0,0,0,0|0,0,2]=4 100 B11R1.23 COC(=O)C1=CC=CC(O)=C1 2629-1-X6 [1,1,0,0,0,0|0,0,2]=4 101 B11R1.36 CC(C(=O)O)C1=CC=CC=C1 2721-1-Y6 [1,1,0,0,0,0|2,0,0]=4 102 B11R1.36 C[C@@H](C(=O)O)C1=CC=CC=C1 2621-1-R5 [1,1,0,0,0,0|2,0,0]=4 103 B11R1.36 C[C@H](C(=O)O)C1=CC=CC=C1 2621-1-S5 [1,1,0,0,0,0|2,0,0]=4 104 B11R1.36 NC(=O)C(O)C1=CC=CC=C1 4648-1-13 [1,1,0,0,0,0|2,0,0]=4 105 B11R1.36 [C@H](O)(C(=O)O)C1=CC=CC=C1 2629-1-Z6 [1,1,0,0,0,0|2,0,0]=4 106 B11R1.222 CCC(N)C1=CC=CC=C1F 3630-3-72 [1,1,0,0,0,0|2,0,0]=4 107 B11R1.222 CCC(O)C1=CC=CC=C1F 2602-3-22 [1,1,0,0,0,0|1,0,0]=3 108 B11R1.222 CNC(C)C1=C(F)C=CC=C1 3631-3-22 [1,1,0,0,0,0|1,0,0]=3 109 B11R1.222 CNC(C)C1=CC=CC=C1Br 3631-9-0G [1,1,0,0,0,0|1,0,0]=3 110 B11R1.222 COC(=O)C1=C(F)C=CC=C1 2623-3-02 [1,1,0,0,0,0|0,0,2]=4 111 B11R1.222 COC(=O)C1=C(O)C=CC=C1 2623-1-1S [1,1,0,0,0,0|0,0,2]=4 112 B11R1.222 COC(=O)C1=CC=CC=C1C 2723-1-X3 [1,1,0,0,0,0|0,0,2]=4 113 B11R1.222 COC(=O)C1=CC=CC=C1Cl 2623-5-X4 [1,1,0,0,0,0|0,0,2]=4 114 B11R1.222 COC(=O)C1=CC=CC=C1S 6661-1-01 [1,1,0,0,0,0|0,0,2]=4 115 B13R1.321 COC(OC)C1=CC(O)=NC(S)=N1 8H61-1-X6 [0,2,0,0,0,0|2,0,0]=4 116 B13R1.412 CO[Si](OC)(OC)C1=CC=CC=C1 6683-1-02 [0,2,0,0,0,0|0,1,0]=3 117 B11R2.1 NC1CCC2=CC=CC=C21 3630-5-X0 [1,0,0,1,0,0|2,0,0]=4 118 B11R2.1 NC1CCC2=CC=CC=C21 3730-1-47 [1,0,0,1,0,0|2,0,0]=4 119 B11R2.1 N[C@@H]1CCC2=CC=CC=C21 3730-5-Z1 [1,0,0,1,0,0|2,0,0]=4 120 B11R2.1 OB1OCC2=CC=CC=C12 6H60-1-V8 [1,0,0,1,0,0|1,0,0]=3 121 B11R2.1 OC1CCC2=CC=CC=C21 2701-1-05 [1,0,0,1,0,0|1,0,0]=3 122 B11R2.40 NC1(C2=CC=CC=C2)CC1 3630-5-X7 [1,0,0,1,0,0|2,0,0]=4 123 B11R2.40 NC1(C2=CC=CC=C2)CC1 3730-1-68 [1,0,0,1,0,0|2,0,0]=4 124 B11R2.2 C1=COC(C2OCCO2)=C1 2H10-1-1H [0,0,0,1,1,0|1,0,0]=3 125 B13R2.3 C1=CC=C(C2CCCCC2)C=C1 1700-1-X5 [0,1,0,1,0,0|2,0,0]=4 126 B13R2.3 C1=CC=C(C2CCCCN2)C=C1 P612-A-34 [0,1,0,1,0,0|2,0,0]=4 127 B13R2.3 C1=CC=C(C2CCCNC2)C=C1 3H31-1-Y5 [0,1,0,1,0,0|2,0,0]=4 128 B13R2.3 C1=CC=C(C2CCNCC2)C=C1 3631-1-X2 [0,1,0,1,0,0|2,0,0]=4 129 B13R2.3 C1=CC=C(C2CNCCN2)C=C1 3H31-1-T6 [0,1,0,1,0,0|2,0,0]=4 130 B13R2.3 C1=CC=C(C2COCCN2)C=C1 4H56-1-DR [0,1,0,1,0,0|1,0,0]=3 131 B13R2.3 C1=CC=C([C@@H]2CCCCN2)C=C1 3H31-1-SA [0,1,0,1,0,0|2,0,0]=4 132 B13R2.12 BrC1=CC=C(C2CCCN2)C=C1 3H31-9-16 [0,1,0,1,0,0|2,0,0]=4 133 B13R2.12 ClC1=CC=C(C2CCCN2)C=C1 3H31-5-W5 [0,1,0,1,0,0|2,0,0]=4 134 B13R2.12 FC1=CC=C(C2CCCN2)C=C1 3H31-3-28 [0,1,0,1,0,0|2,0,0]=4 135 B13R2.12 OC1=CC=C(C2SCCS2)C=C1 6H01-1-13 [0,1,0,1,0,0|0,2,0]=4 136 B13R2.13 BrC1=CC=CC(C2OCCO2)=C1 2H08-9-X0 [0,1,0,1,0,0|0,0,0]=2 137 B13R2.18 BrC1=CC=CC=C1C2OCCO2 2710-9-X0 [0,1,0,1,0,0|0,0,0]=2 138 B11R1.40 CC(CN)OC1=CC=CC=C1 4630-5-05 [1,0,0,0,0,1|2,0,0]=4 139 B11R1.40 COC(=O)NC1=CC=CC=C1 4656-1-9T [1,0,0,0,0,1|0,0,2]=4