0 B12R1.891 CC(C)(O)C#CC1=CC=CC=C1 M38248 [0,0,0,0,0,0|0,0,2]=2 1 B12R1.891 C[Si](C)(C)C#CC1=CC=CC=C1 T54815 [0,0,0,0,0,0|1,1,2]=4 2 B12R1.891 F[B-](F)(F)CCC1=CC=CC=C1 P46628 [0,0,0,0,0,0|4,0,0]=4 3 B12R1.891 O=S(=O)(Cl)CCC1=CC=CC=C1 P38151 [0,0,0,0,0,0|3,0,1]=4 4 B11R1.91 O=C(Cl)CCC1=CC=CC=C1 H52037 [1,0,0,0,0,0|1,0,2]=4 5 B11R1.91 O=C(O)CCC1=NC=CC=C1 P49281 [1,0,0,0,0,0|2,0,1]=4 6 B11R1.91 O=C(O)CNC1=CC=CC=C1 P68874 [1,0,0,0,0,0|2,0,1]=4 7 B11R1.91 O=[N+]([O-])CCC1=CC=CC=C1 N69452 [1,0,0,0,0,0|2,0,1]=4 8 B11R1.91 OB(O)CCC1=CC=CC=C1 P4926 [1,0,0,0,0,0|2,0,0]=3 9 B11R1.509 CC(C)(C)OC1=CN=CC=C1 B50336 [0,0,0,0,1,0|3,0,0]=4 10 B11R1.509 CC(C)(C)OC1=NC=CC=C1 B50335 [0,0,0,0,1,0|3,0,0]=4 11 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 B37400 [0,0,0,0,1,0|2,0,0]=3 12 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 M37460 [0,0,0,0,1,0|2,0,0]=3 13 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 T60768 [0,0,0,0,1,0|2,0,0]=3 14 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 T60838 [0,0,0,0,1,0|2,0,0]=3 15 B13R1.3523 CC(C)(O)CNCC1=CC=CC=C1 B54991 [0,0,0,0,0,1|0,0,0]=1 16 B13R1.3523 CS(=O)(=O)OCCC1=CC=CC=C1 P50302 [0,0,0,0,0,1|2,0,1]=4 17 B13R1.3523 C[Si](C)(C)CNCC1=CC=CC=C1 N28618 [0,0,0,0,0,1|1,1,0]=3 18 B10R1.17 BrCCCC1=CC=CC=C1 B49960 [2,0,0,0,0,0|1,0,0]=3 19 B10R1.17 BrCCOC1=CC=CC=C1 B68804 [2,0,0,0,0,0|2,0,0]=4 20 B10R1.17 C#CCCC1=CC=CC=C1 P62501 [2,0,0,0,0,0|0,0,2]=4 21 B10R1.17 CCCCC1=CC=NC=C1 B50306 [2,0,0,0,0,0|1,0,0]=3 22 B10R1.17 CCCC[N+]1=CC=CC=C1 B52268 [2,0,0,0,0,0|1,0,0]=3 23 B10R1.17 CCCOC1=CC=CC=C1 P50263 [2,0,0,0,0,0|1,0,0]=3 24 B10R1.17 CCNCC1=CC=CC=C1 B39547 [2,0,0,0,0,0|1,0,0]=3 25 B10R1.17 CCNCC1=NC=CC=C1 P46970 [2,0,0,0,0,0|2,0,0]=4 26 B10R1.17 CCOCC1=CC=CC=C1 E50267 [2,0,0,0,0,0|1,0,0]=3 27 B10R1.17 CNCCC1=CC=CN=C1 M46974 [2,0,0,0,0,0|2,0,0]=4 28 B10R1.17 ClCCOC1=CC=CC=C1 C39521 [2,0,0,0,0,0|2,0,0]=4 29 B10R1.17 ClCCSC1=CC=CC=C1 C49161 [2,0,0,0,0,0|2,0,0]=4 30 B10R1.17 NCCCC1=CC=NC=C1 P46966 [2,0,0,0,0,0|2,0,0]=4 31 B10R1.17 NCCNC1=CC=CC=C1 P61733 [2,0,0,0,0,0|2,0,0]=4 32 B10R1.17 NCCOC1=CC=CC=C1 P46889 [2,0,0,0,0,0|2,0,0]=4 33 B10R1.17 OCC#CC1=CC=CC=C1 P51545 [2,0,0,0,0,0|0,0,2]=4 34 B10R1.17 OCCCC1=CC=NC=C1 P46905 [2,0,0,0,0,0|1,0,0]=3 35 B10R1.17 OCCCC1=NC=CC=C1 P62447 [2,0,0,0,0,0|1,0,0]=3 36 B10R1.17 OCCCC1=NC=CC=C1 P7829 [2,0,0,0,0,0|1,0,0]=3 37 B10R1.17 OCCSC1=NC=CC=C1 P46439 [2,0,0,0,0,0|2,0,0]=4 38 B10R1.17 [Mg+]CCCC1=CC=CC=C1 P31712 [2,0,0,0,0,0|1,0,0]=3 39 B12R1.21 NC1=CC=C(CCC(=O)O)C=C1 A50056 [1,1,0,0,0,0|1,0,1]=4 40 B12R1.21 O=C(O)CCC1=CC=C(Cl)C=C1 C51922 [1,1,0,0,0,0|1,0,1]=4 41 B12R1.21 O=C(O)CCC1=CC=C(F)C=C1 F51936 [1,1,0,0,0,0|1,0,1]=4 42 B12R1.21 O=C(O)CCC1=CC=C(I)C=C1 K51958 [1,1,0,0,0,0|1,0,1]=4 43 B12R1.27 COC(=O)CCC1=CC=CC=C1 M39604 [1,1,0,0,0,0|0,0,2]=4 44 B12R1.27 C[C@@H](CO)NCC1=CC=CC=C1 B53141 [1,1,0,0,0,0|1,0,0]=3 45 B12R1.27 C[C@@H](CO)NCC1=CC=CC=C1 B67328 [1,1,0,0,0,0|1,0,0]=3 46 B12R1.27 C[C@@H](CO)OCC1=CC=CC=C1 B53085 [1,1,0,0,0,0|1,0,0]=3 47 B12R1.27 C[C@H](CO)NCC1=CC=CC=C1 B53140 [1,1,0,0,0,0|1,0,0]=3 48 B12R1.27 O=C(CBr)CCC1=CC=CC=C1 B52666 [1,1,0,0,0,0|0,0,2]=4 49 B12R1.43 CC(=O)[C@@H](C)CC1=CC=CC=C1 M54757 [1,1,0,0,0,0|0,0,2]=4 50 B12R1.43 C[C@H](N)C(=O)CC1=CC=CC=C1 A54150 [1,1,0,0,0,0|1,0,1]=4 51 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O A52116 [1,1,0,0,0,0|1,0,1]=4 52 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O P69134 [1,1,0,0,0,0|1,0,1]=4 53 B12R1.43 O=C(O)[C@@H](Br)CC1=CC=CC=C1 B8639 [1,1,0,0,0,0|1,0,1]=4 54 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 H49929 [1,1,0,0,0,0|1,0,1]=4 55 B12R1.43 O=C(O)[C@H](O)CC1=CC=CC=C1 H49928 [1,1,0,0,0,0|1,0,1]=4 56 B12R1.107 CC(C)C[C@H](N)C1=CC=CC=C1 M63385 [1,1,0,0,0,0|0,0,0]=2 57 B12R1.107 CN(C)C[C@@H](N)C1=CC=CC=C1 A53182 [1,1,0,0,0,0|1,0,0]=3 58 B12R1.107 C[C@@H](CC(=O)O)C1=CC=CC=C1 P69050 [1,1,0,0,0,0|1,0,1]=4 59 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 A38671 [1,1,0,0,0,0|1,0,1]=4 60 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 A52121 [1,1,0,0,0,0|1,0,1]=4 61 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 A67450 [1,1,0,0,0,0|1,0,1]=4 62 B12R1.107 N[C@H](CC(=O)O)C1=CC=CC=C1 A50069 [1,1,0,0,0,0|1,0,1]=4 63 B12R1.107 N[C@H](CC(=O)O)C1=CC=CC=C1 A52115 [1,1,0,0,0,0|1,0,1]=4 64 B12R1.107 O=C(O)C[C@H](O)C1=CC=CC=C1 H69518 [1,1,0,0,0,0|1,0,1]=4 65 B12R1.125 CC1=C(CCC(=O)O)C=CC=C1 M52804 [1,1,0,0,0,0|1,0,1]=4 66 B12R1.125 O=C(O)CCC1=C(Br)C=CC=C1 B51888 [1,1,0,0,0,0|1,0,1]=4 67 B12R1.125 O=C(O)CCC1=C(Cl)C=CC=C1 C51920 [1,1,0,0,0,0|1,0,1]=4 68 B12R1.125 O=C(O)CCC1=C(F)C=CC=C1 F51934 [1,1,0,0,0,0|1,0,1]=4 69 B12R1.125 O=C(O)CCC1=C(I)C=CC=C1 K51957 [1,1,0,0,0,0|1,0,1]=4 70 B12R1.226 CC1=CC=CC(CCC(=O)O)=C1 M52805 [1,1,0,0,0,0|1,0,1]=4 71 B12R1.226 O=C(O)CCC1=CC(O)=CC=C1 H67695 [1,1,0,0,0,0|1,0,1]=4 72 B12R1.226 O=C(O)CCC1=CC=CC(Br)=C1 B51889 [1,1,0,0,0,0|1,0,1]=4 73 B12R1.226 O=C(O)CCC1=CC=CC(Cl)=C1 C51921 [1,1,0,0,0,0|1,0,1]=4 74 B12R1.226 O=C(O)CCC1=CC=CC(F)=C1 F51935 [1,1,0,0,0,0|1,0,1]=4 75 B12R1.106 CC(C)(C)OC1=CC=C(Br)C=C1 B53015 [0,1,0,0,1,0|2,0,0]=4 76 B12R1.106 CC(C)(O)CC1=CC=C(Cl)C=C1 C53019 [0,1,0,0,1,0|0,0,0]=2 77 B12R1.119 CC(C)(O)CC1=CC=CC(Br)=N1 B50256 [0,1,0,0,1,0|1,0,0]=3 78 B12R1.151 CC(C)(C)NC1=C(N)C=CC=C1 B53181 [0,1,0,0,1,0|2,0,0]=4 79 B12R1.151 CC(C)(C)SC1=C(N)C=CC=C1 B53167 [0,1,0,0,1,0|2,0,0]=4 80 B12R1.194 C#CC(C)(C)CC1=CC=CC=C1 D60075 [0,1,0,0,1,0|1,0,0]=3 81 B12R1.564 CC(C)(C)[C@@H](N)C1=CC=CC=C1 D55526 [0,1,0,0,1,0|1,0,0]=3 82 B12R1.564 CC(C)(C)[C@H](N)C1=CC=CC=C1 D38881 [0,1,0,0,1,0|1,0,0]=3 83 B14R1.131 C[N+](C)(C)CCOC1=CC=C(N)C=C1 A37119 [0,1,0,0,0,1|2,0,0]=4 84 B14R1.292 C#CC(C)(C)COCC1=CC=CC=C1 B10540 [0,1,0,0,0,1|1,0,0]=3 85 B14R1.292 CC(C)(CO)COCC1=CC=CC=C1 B56220 [0,1,0,0,0,1|0,0,0]=2 86 B14R1.3099 CC(C)(N)C(=O)OCC1=CC=CC=C1 B63200 [0,1,0,0,0,1|1,0,1]=4 87 B14R1.3099 CC(C)(O)C(=O)OCC1=CC=CC=C1 B54797 [0,1,0,0,0,1|0,0,1]=3 88 B14R1.5966 CC(C)(C)N[C@@H](O)C1=CC=CC(O)=C1 B65551 [0,2,0,0,0,0|2,0,0]=4 89 B12R2.22 NC1CC(C2=CC=CC=C2)C1 P15206 [1,0,0,1,0,0|1,0,0]=3 90 B12R2.22 N[C@H]1C[C@H](C2=CC=CC=C2)C1 P11821 [1,0,0,1,0,0|1,0,0]=3 91 B12R2.22 O=C1CC(C2=CC=CC=C2)C1 P15205 [1,0,0,1,0,0|0,0,2]=4 92 B12R2.22 OC1CN(C2=CC=CC=C2)C1 H14395 [1,0,0,1,0,0|1,0,0]=3 93 B12R2.24 C[C@@H]1CNC2=C(C=CC=C2)C1 M52877 [1,0,0,1,0,0|1,0,0]=3 94 B12R2.24 C[C@H]1CCC2=C(C=CC=C2)N1 T69232 [1,0,0,1,0,0|1,0,0]=3 95 B12R2.24 N[C@@H]1CCC2=C(C=CC=C2)C1 T52882 [1,0,0,1,0,0|1,0,0]=3 96 B12R2.24 N[C@@H]1CNC2=C(C=CC=C2)C1 T50166 [1,0,0,1,0,0|2,0,0]=4 97 B12R2.24 N[C@H]1CCC2=C(C=CC=C2)C1 T52883 [1,0,0,1,0,0|1,0,0]=3 98 B12R2.24 N[C@H]1CCC2=C(C=CC=C2)C1 T54140 [1,0,0,1,0,0|1,0,0]=3 99 B12R2.24 N[C@H]1CCC2=CC=CN=C2C1 T37224 [1,0,0,1,0,0|2,0,0]=4 100 B12R2.24 O[C@@H]1CNC2=C(C=CC=C2)C1 T60427 [1,0,0,1,0,0|1,0,0]=3 101 B12R2.24 O[C@H]1CCC2=C(C=CC=C2)C1 T38300 [1,0,0,1,0,0|0,0,0]=2 102 B12R2.2057 C1=CC=C(OC[C@@H]2CO2)C=C1 G49884 [1,0,0,1,0,0|1,0,0]=3 103 B12R2.2403 CC1(C)CNC2=C1C=CC=C2 D15351 [1,0,0,1,0,0|1,0,0]=3 104 B12R2.2403 CC1(C)CNC2=NC=CC=C21 D20524 [1,0,0,1,0,0|2,0,0]=4 105 B12R2.2403 CC1(C)NCC2=C1C=CC=C2 D10522 [1,0,0,1,0,0|1,0,0]=3 106 B14R2.4893 CC1(N)CN(CC2=CC=CC=C2)C1 A6073 [0,0,0,1,0,1|1,0,0]=3 107 B14R2.6175 CC1(C)CCC2=C(C=CC=C2)C1=O D55915 [0,1,0,1,0,0|0,0,1]=3 108 B14R2.29496 C[C@H]1CC(C)(C)NC2=C1C=CC=C2 T56618 [0,1,0,1,0,0|1,0,0]=3 109 B14R2.4493 CC1(C)C=CC2=C(C=CC(N)=C2)O1 D69366 [0,1,0,1,0,0|0,0,2]=4 110 B14R2.4493 CC1(C)CNC2=C(C=CC(Cl)=C2)O1 C52774 [0,1,0,1,0,0|1,0,0]=3 111 B14R3.4387 NC12CC(C3=CC=CC=C3)(C1)C2 P30048 [0,0,0,2,0,0|1,0,0]=3 112 B14R3.4387 NC12CC(C3=CC=CC=C3)(C1)C2 P59984 [0,0,0,2,0,0|1,0,0]=3 113 B10R1.18 CC(C)=CC1=CC=CC=C1 M52675 [1,0,0,0,1,0|0,0,2]=4 114 B10R1.18 CC(C)NC1=CC=CC=C1 P69278 [1,0,0,0,1,0|1,0,0]=3 115 B10R1.18 CC(C)OC1=CN=CC=C1 P46891 [1,0,0,0,1,0|2,0,0]=4 116 B10R1.18 CC(C)OC1=NC=CC=C1 P46890 [1,0,0,0,1,0|2,0,0]=4 117 B10R1.28 CC(C)(N)C1=CC=CC=C1 P32201 [0,0,0,0,2,0|1,0,0]=3 118 B10R1.28 CC(C)(N)C1=NC=CC=C1 P32222 [0,0,0,0,2,0|2,0,0]=4 119 B10R1.28 CC(C)(O)C1=CC=CC=C1 P24569 [0,0,0,0,2,0|0,0,0]=2 120 B10R1.28 CC(C)(O)C1=CN=CC=C1 P46904 [0,0,0,0,2,0|1,0,0]=3 121 B10R1.28 CC(C)(O)C1=NC=CC=C1 P38223 [0,0,0,0,2,0|1,0,0]=3 122 B10R1.28 C[N+](C)(C)C1=CC=CC=C1 T68550 [0,0,0,0,2,0|2,0,0]=4 123 B10R1.28 C[N+](C)(C)C1=CC=CC=C1 T69020 [0,0,0,0,2,0|2,0,0]=4 124 B12R1.252 CC(=O)COCC1=CC=CC=C1 B22478 [1,0,0,0,0,1|0,0,2]=4 125 B12R1.252 CC(C)OCCC1=NC=CC=C1 P63699 [1,0,0,0,0,1|1,0,0]=3 126 B12R1.252 CN(C)CCOC1=CC=CC=C1 D53142 [1,0,0,0,0,1|1,0,0]=3 127 B12R1.252 C[C@H](O)COCC1=CC=CC=C1 B37631 [1,0,0,0,0,1|0,0,0]=2 128 B12R1.252 O=C(O)CCNC1=CC=CC=C1 P50051 [1,0,0,0,0,1|1,0,1]=4 129 B12R1.252 O=C(O)COCC1=CC=CC=C1 B67512 [1,0,0,0,0,1|1,0,1]=4