0 B11R1.40 C\C(C=O)=C/C1=CC=CC=C1 M17930 [0,0,0,0,0,0|2,0,2]=4 1 B11R1.40 N[C@@H](CO)CC1=CC=CC=C1 A2030 [0,0,0,0,0,0|3,0,0]=3 2 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 P5891 [0,0,0,0,0,0|3,0,0]=3 3 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 P5891 [0,0,0,0,0,0|3,0,0]=3 4 B10R1.17 BrCCOC1=CC=CC=C1 B3358 [1,0,0,0,0,0|3,0,0]=4 5 B10R1.17 BrCCOC1=CC=CC=C1 B3358 [1,0,0,0,0,0|3,0,0]=4 6 B10R1.17 CCCCC1=CC=CN=C1 B11443 [1,0,0,0,0,0|2,0,0]=3 7 B10R1.17 CCCCC1=NC=CC=C1 B11448 [1,0,0,0,0,0|2,0,0]=3 8 B10R1.17 CCCC[N+]1=CC=CC=C1 B7889 [1,0,0,0,0,0|2,0,0]=3 9 B10R1.17 CCCC[N+]1=CC=CC=C1 B9727 [1,0,0,0,0,0|2,0,0]=3 10 B10R1.17 CNCCC1=CC=CC=C1 M12421 [1,0,0,0,0,0|0,0,0]=1 11 B10R1.17 CNCCC1=CC=NC=C1 M12425 [1,0,0,0,0,0|1,0,0]=2 12 B10R1.17 CNCCC1=NC=CC=C1 B5398 [1,0,0,0,0,0|1,0,0]=2 13 B10R1.17 CNCCC1=NC=CC=C1 B6262 [1,0,0,0,0,0|1,0,0]=2 14 B10R1.17 ClCCOC1=CC=CC=C1 C3357 [1,0,0,0,0,0|3,0,0]=4 15 B10R1.17 ClCOCC1=CC=CC=C1 B7431 [1,0,0,0,0,0|3,0,0]=4 16 B10R1.17 NCCOC1=CC=CC=C1 P3356 [1,0,0,0,0,0|3,0,0]=4 17 B10R1.17 OCCOC1=CC=CC=C1 P2904 [1,0,0,0,0,0|3,0,0]=4 18 B10R1.18 CN(C)CC1=CC=CC=C1 D18840 [1,0,0,0,0,0|1,0,0]=2 19 B10R1.18 N=C(N)CC1=CC=CC=C1 P13924 [1,0,0,0,0,0|1,0,1]=3 20 B10R1.18 N=C(N)CC1=CN=CC=C1 P13906 [1,0,0,0,0,0|2,0,1]=4 21 B10R1.18 N=C(N)CC1=NC=CC=C1 P13905 [1,0,0,0,0,0|2,0,1]=4 22 B10R1.18 N=C(N)NC1=CC=CC=C1 P8891 [1,0,0,0,0,0|2,0,1]=4 23 B10R1.18 N=C(N)SC1=CC=CC=C1 P13914 [1,0,0,0,0,0|2,0,1]=4 24 B10R1.18 NC(=O)C[N+]1=CC=CC=C1 C7929 [1,0,0,0,0,0|2,0,1]=4 25 B10R1.18 NC(N)=NC1=CC=CC=C1 D8941 [1,0,0,0,0,0|2,0,1]=4 26 B12R1.32 C#CCN(C)CC1=CC=CC=C1 P8832 [0,1,0,0,0,0|2,0,1]=4 27 B12R1.32 CNCC(=O)CC1=CC=CC=C1 M5866 [0,1,0,0,0,0|1,0,1]=3 28 B12R1.34 CNC(=O)C(Br)C1=CC=CC=C1 B18458 [0,1,0,0,0,0|1,0,1]=3 29 B12R1.34 COC(=O)C(Cl)C1=CC=CC=C1 M8386 [0,1,0,0,0,0|2,0,1]=4 30 B12R1.34 N[C@@H](CO)[C@@H](O)C1=CC=CC=C1 A0003 [0,1,0,0,0,0|3,0,0]=4 31 B12R1.34 [C@@H](N)(C(=O)OC)C1=CC=CC=C1 P2153 [0,1,0,0,0,0|2,0,1]=4 32 B12R1.43 CN(O)C(=O)NC1=CC=CC=C1 H7718 [0,1,0,0,0,0|2,0,1]=4 33 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O A5988 [0,1,0,0,0,0|3,0,0]=4 34 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O P0823 [0,1,0,0,0,0|3,0,0]=4 35 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 P7705 [0,1,0,0,0,0|3,0,0]=4 36 B12R1.43 O=C(O)[C@H](O)CC1=CC=CC=C1 H7711 [0,1,0,0,0,0|3,0,0]=4 37 B12R1.49 CCC(C)OC1=CC=C(Cl)C=C1 C8394 [0,1,0,0,0,0|2,0,0]=3 38 B12R1.49 COC(=O)CC1=CC=C(C)C=C1 M7638 [0,1,0,0,0,0|2,0,1]=4 39 B12R1.49 COC(=O)CC1=CC=C(N)C=C1 A17809 [0,1,0,0,0,0|2,0,1]=4 40 B12R1.49 COC(=O)CC1=CC=C(O)C=C1 M7703 [0,1,0,0,0,0|2,0,1]=4 41 B12R1.49 N#CC(O)CC1=CC=C(F)C=C1 F1362 [0,1,0,0,0,0|3,0,0]=4 42 B12R1.50 CNC(=O)OC1=CC(C)=CC=C1 M2025 [0,1,0,0,0,0|2,0,1]=4 43 B12R1.50 CNC(=O)OC1=CC(C)=CC=C1 M2025 [0,1,0,0,0,0|2,0,1]=4 44 B12R1.50 COC(=O)CC1=CC(Br)=CC=C1 B14248 [0,1,0,0,0,0|2,0,1]=4 45 B12R1.118 CNC(CO)CC1=CC=CC=C1 M7684 [0,1,0,0,0,0|0,0,0]=1 46 B12R1.118 CNC(CO)CC1=CC=CC=C1 M9105 [0,1,0,0,0,0|0,0,0]=1 47 B12R1.371 COC(=O)CC1=CC=CC=C1O H15810 [0,1,0,0,0,0|2,0,1]=4 48 B12R2.18 CC1=CC2=CC=CC=C2N1C D1672 [0,0,0,1,0,0|0,0,2]=3 49 B12R2.18 CC1CC2=C(C=CC=C2)N1N M11609 [0,0,0,1,0,0|1,0,0]=2 50 B12R2.18 CC1CC2=C(C=CC=C2)N1N M11610 [0,0,0,1,0,0|1,0,0]=2 51 B12R2.18 CN1C(=O)OC2=C1C=CC=C2 M5858 [0,0,0,1,0,0|2,0,1]=4 52 B12R2.18 CN1C(=O)SC2=CC=CC=C21 M18425 [0,0,0,1,0,0|2,0,1]=4 53 B12R2.18 CN1C2=CC=CC=C2N=C1N M17400 [0,0,0,1,0,0|2,0,1]=4 54 B12R2.18 N[C@@H]1C2=CC=CC=C2C[C@@H]1O A7187 [0,0,0,1,0,0|3,0,0]=4 55 B12R2.18 N[C@H]1C2=C(C=CC=C2)C[C@H]1O A6026 [0,0,0,1,0,0|3,0,0]=4 56 B12R2.18 O[C@H]1C2=C(C=CC=C2)C[C@@H]1Br B9587 [0,0,0,1,0,0|3,0,0]=4 57 B12R2.24 NC1CNC2=C(C=CC=C2)C1 A12895 [0,0,0,1,0,0|3,0,0]=4 58 B12R2.24 N[C@H]1CCC2=C(C=CC=C2)C1 T11003 [0,0,0,1,0,0|2,0,0]=3 59 B12R2.24 O=C1CC2=CC=CC=C2CN1 D13329 [0,0,0,1,0,0|1,0,1]=3 60 B12R2.32 ON=C1CC2=CC=CC=C2C1 I2106 [0,0,0,1,0,0|1,0,2]=4 61 B10R1.15 CCC(=O)C1=CC=CC=C1 P18860 [0,0,0,0,1,0|2,0,1]=4 62 B10R1.15 CC[C@@H](N)C1=CC=CC=C1 E6698 [0,0,0,0,1,0|2,0,0]=3 63 B10R1.15 CC[C@H](N)C1=CC=CC=C1 E6699 [0,0,0,0,1,0|2,0,0]=3 64 B10R1.15 NC[C@@H](O)C1=CC=CC=C1 A14785 [0,0,0,0,1,0|3,0,0]=4 65 B10R1.15 NC[C@H](O)C1=CC=CC=C1 A18262 [0,0,0,0,1,0|3,0,0]=4 66 B10R1.15 OC[C@@H](O)C1=CC=CC=C1 P4802 [0,0,0,0,1,0|3,0,0]=4 67 B10R1.15 OC[C@H](O)C1=CC=CC=C1 P4801 [0,0,0,0,1,0|3,0,0]=4 68 B10R1.15 OC[C@H](O)C1=CC=CC=C1 P4801 [0,0,0,0,1,0|3,0,0]=4 69 B10R1.15 [C@@H](N)(CO)C1=CC=CC=C1 P5892 [0,0,0,0,1,0|3,0,0]=4 70 B10R1.15 [C@@H](N)(CO)C1=CC=CC=C1 P5892 [0,0,0,0,1,0|3,0,0]=4 71 B10R1.15 [C@H](N)(CO)C1=CC=CC=C1 P1975 [0,0,0,0,1,0|3,0,0]=4 72 B12R1.27 CC(CO)NCC1=CC=CC=C1 B14686 [0,0,0,0,0,1|2,0,0]=3 73 B12R1.27 CCC(=O)CCC1=CC=CC=C1 P7542 [0,0,0,0,0,1|2,0,1]=4 74 B12R1.27 CNC(=S)NCC1=CC=CC=C1 B8222 [0,0,0,0,0,1|1,0,1]=3 75 B12R1.27 NCC(O)COC1=CC=CC=C1 A13152 [0,0,0,0,0,1|3,0,0]=4 76 B12R1.27 NNC(=O)OCC1=CC=CC=C1 B7715 [0,0,0,0,0,1|2,0,1]=4 77 B12R1.27 NNC(=S)NCC1=CC=CC=C1 B8255 [0,0,0,0,0,1|2,0,1]=4 78 B9R1.8 BrCCC1=CC=CC=C1 B1499 [2,0,0,0,0,0|1,0,0]=3 79 B9R1.8 BrCCC1=NC=CC=C1 B18468 [2,0,0,0,0,0|2,0,0]=4 80 B9R1.8 CCC[N+]1=CC=CC=C1 P9114 [2,0,0,0,0,0|1,0,0]=3 81 B9R1.8 CNCC1=CC=CC=C1 C12471 [2,0,0,0,0,0|0,0,0]=2 82 B9R1.8 CNCC1=CN=CC=C1 M13405 [2,0,0,0,0,0|1,0,0]=3 83 B9R1.8 C\N=C/C1=CC=CC=C1 B11532 [2,0,0,0,0,0|0,0,2]=4 84 B9R1.8 NCCC1=CC=CC=C1 P18797 [2,0,0,0,0,0|0,0,0]=2 85 B9R1.8 NCCC1=CC=CC=C1 P19425 [2,0,0,0,0,0|0,0,0]=2 86 B9R1.8 NCCC1=CC=CC=N1 P3233 [2,0,0,0,0,0|1,0,0]=3 87 B9R1.8 NCCC1=CC=CN=C1 A18111 [2,0,0,0,0,0|1,0,0]=3 88 B9R1.8 NCCC1=CC=NC=C1 A18195 [2,0,0,0,0,0|1,0,0]=3 89 B9R1.8 NCCC1=CN=CC=C1 A12910 [2,0,0,0,0,0|1,0,0]=3 90 B9R1.8 NNCC1=CC=CC=C1 B8798 [2,0,0,0,0,0|1,0,0]=3 91 B9R1.8 NOCC1=CC=CC=C1 B7490 [2,0,0,0,0,0|1,0,0]=3 92 B9R1.8 NOCC1=CC=CC=C1 B7490 [2,0,0,0,0,0|1,0,0]=3 93 B9R1.8 OCCC1=NC=CC=C1 P0121 [2,0,0,0,0,0|2,0,0]=4 94 B11R1.1 CCCCC1=CC=C(N)C=C1 B1469 [1,1,0,0,0,0|1,0,0]=3 95 B11R1.1 CCCCC1=CC=C(S)C=C1 B7731 [1,1,0,0,0,0|1,0,0]=3 96 B11R1.1 CNCCC1=CC=C(O)C=C1 M14940 [1,1,0,0,0,0|0,0,0]=2 97 B11R1.1 COCCC1=CC=C(O)C=C1 M0084 [1,1,0,0,0,0|1,0,0]=3 98 B11R1.1 N#CCCC1=CC=C(Br)C=C1 B9442 [1,1,0,0,0,0|2,0,0]=4 99 B11R1.1 [C-]#[N+]CCC1=CC=C(Br)C=C1 B9445 [1,1,0,0,0,0|0,0,2]=4 100 B11R1.16 CNCC(O)C1=CC=CC=C1 M12439 [1,1,0,0,0,0|0,0,0]=2 101 B11R1.16 O[C@@H](CCCl)C1=CC=CC=C1 C7851 [1,1,0,0,0,0|2,0,0]=4 102 B11R1.16 O[C@H](CCCl)C1=CC=CC=C1 C7852 [1,1,0,0,0,0|2,0,0]=4 103 B11R1.24 [C-]#[N+]CCC1=CC(Br)=CC=C1 B9444 [1,1,0,0,0,0|0,0,2]=4 104 B11R1.28 C=CCNCC1=CC=CC=C1 A18060 [1,1,0,0,0,0|1,0,1]=4 105 B11R1.28 OCCSCC1=CC=CC=C1 B3908 [1,1,0,0,0,0|2,0,0]=4 106 B11R1.91 CC(N)CCC1=CC=CC=C1 M0184 [1,1,0,0,0,0|1,0,0]=3 107 B11R1.91 O=C(O)CCC1=CC=CC=C1 P11665 [1,1,0,0,0,0|2,0,0]=4 108 B11R1.20 CC(C)CC1=CC=C(Br)C=C1 B9590 [1,1,0,0,0,0|0,0,0]=2 109 B11R1.20 CC1=CC=C(CC(=N)N)C=C1 T13930 [1,1,0,0,0,0|1,0,1]=4 110 B11R1.20 N=C(N)CC1=CC=C(Br)C=C1 B13672 [1,1,0,0,0,0|1,0,1]=4 111 B11R1.20 N=C(N)CC1=CC=C(Cl)C=C1 C13729 [1,1,0,0,0,0|1,0,1]=4 112 B11R1.20 N=C(N)CC1=CC=C(I)C=C1 P13840 [1,1,0,0,0,0|1,0,1]=4 113 B11R1.36 CC(Br)C(=O)C1=CC=CC=C1 B9586 [1,1,0,0,0,0|1,0,1]=4 114 B11R1.36 CC(Br)C(=O)C1=CC=CC=C1 B9586 [1,1,0,0,0,0|1,0,1]=4 115 B11R1.86 CC1=CC=CC=C1CC(=N)N T13940 [1,1,0,0,0,0|1,0,1]=4 116 B11R1.157 CC1=CC=CC(CC(=N)N)=C1 T13941 [1,1,0,0,0,0|1,0,1]=4 117 B11R1.157 N=C(N)CC1=CC(Cl)=CC=C1 C16713 [1,1,0,0,0,0|1,0,1]=4 118 B11R1.157 N=C(N)CC1=CC(F)=CC=C1 F14030 [1,1,0,0,0,0|1,0,1]=4 119 B11R1.509 CS(=O)(=O)CC1=CC=CC=C1 B7832 [1,1,0,0,0,0|2,0,0]=4 120 B11R1.12 CCC(C#N)C1=CC=CC=C1 P4793 [0,1,0,0,1,0|1,0,1]=4 121 B11R1.12 OCC(CO)C1=CC=CC=C1 P11674 [0,1,0,0,1,0|2,0,0]=4 122 B11R1.22 CCC(O)C1=CC=C(N)C=C1 A14442 [0,1,0,0,1,0|2,0,0]=4 123 B11R1.22 [C-]#[N+]C(C)C1=CC=C(Br)C=C1 B9443 [0,1,0,0,1,0|0,0,2]=4 124 B11R1.23 CNC(=O)C1=CC=CC(N)=C1 A18209 [0,1,0,0,1,0|1,0,1]=4 125 B13R1.42 CNCC(O)COC1=CC=CC=C1 M12460 [0,1,0,0,0,1|1,0,0]=3 126 B13R1.135 CNC(=O)C(C)CC1=CC=CC=C1 M13164 [0,1,0,0,0,1|1,0,1]=4 127 B13R1.351 CC(O)C(C)NCC1=CC=CC=C1 B16802 [0,1,0,0,0,1|1,0,0]=3 128 B13R1.20 CCOC(C)OC1=CC=CC(Br)=C1 B10845 [0,2,0,0,0,0|2,0,0]=4 129 B13R1.44 CN(CCCCl)CC1=CC=CC=C1 B10463 [0,2,0,0,0,0|2,0,0]=4 130 B13R1.1073 C[C@@](N)(CC1=CC=CC=C1)C(=O)O M8177 [0,2,0,0,0,0|2,0,0]=4 131 B13R1.1073 C[C@](N)(CC1=CC=CC=C1)C(=O)O M8176 [0,2,0,0,0,0|2,0,0]=4 132 B13R1.145 CC[C@@H](CO)NC1=CC=C(C)C=C1 T16406 [0,2,0,0,0,0|2,0,0]=4 133 B13R1.145 COC(CC1=CC=C(O)C=C1)OC D15713 [0,2,0,0,0,0|1,0,0]=3 134 B13R1.249 CNS(=O)(=O)CC1=CC=C(N)C=C1 A9044 [0,2,0,0,0,0|2,0,0]=4 135 B13R1.249 CNS(=O)(=O)CC1=CC=C([NH3+])C=C1 M5404 [0,2,0,0,0,0|2,0,0]=4 136 B11R2.1 CN1N=CC2=CC=CC=C21 M15342 [1,0,0,1,0,0|1,0,1]=4 137 B11R2.1 ClC1CCC2=CC=CC=C21 C17006 [1,0,0,1,0,0|2,0,0]=4 138 B11R2.1 NC1CCC2=CC=CC=C21 I17072 [1,0,0,1,0,0|2,0,0]=4 139 B11R2.1 O=C1CCC2=CC=CC=C12 I4017 [1,0,0,1,0,0|2,0,0]=4 140 B11R2.1 OC1CCC2=CC=CC=C21 I17073 [1,0,0,1,0,0|2,0,0]=4 141 B11R2.20 C1=CC=C2COCCC2=C1 D11474 [1,0,0,1,0,0|1,0,0]=3 142 B11R2.20 C1=CN=C2CCCCC2=C1 C11016 [1,0,0,1,0,0|2,0,0]=4 143 B11R2.20 C1=CN=C2CCCCC2=C1 C11016 [1,0,0,1,0,0|2,0,0]=4 144 B11R2.10 CC1CC2=CC=CC=C2N1 M1671 [1,0,0,1,0,0|0,0,0]=2 145 B11R2.10 N1C2=CC=CC=C2N=C1C M1656 [1,0,0,1,0,0|1,0,1]=4 146 B11R2.10 O=C1CC2=C(C=CC=C2)N1 O2191 [1,0,0,1,0,0|1,0,1]=4 147 B13R2.33 O=C1CCC2=CC=CC=C2CN1 T17510 [0,0,0,1,0,1|1,0,1]=4 148 B13R2.57 OC[C@H]1CC2=C(C=CC=C2)CN1 T7590 [0,0,0,1,0,1|2,0,0]=4 149 B13R2.31 OC1CN(CC2=CC=CC=C2)C1 B11514 [0,1,0,1,0,0|2,0,0]=4 150 B13R2.64 C1=CC=C(CC2=NCCN2)C=C1 T5556 [0,1,0,1,0,0|0,0,1]=3 151 B13R2.64 C1=CC=C(CC2CCCN2)C=C1 B15290 [0,1,0,1,0,0|0,0,0]=2 152 B13R2.64 C1=CC=C(NC2CCCC2)C=C1 C17012 [0,1,0,1,0,0|2,0,0]=4 153 B9R1.6 CN(C)C1=CC=NC=C1 D2370 [1,0,0,0,1,0|2,0,0]=4 154 B9R1.6 C[C@@H](N)C1=CC=CC=C1 M5022 [1,0,0,0,1,0|0,0,0]=2 155 B9R1.6 C[C@H](N)C1=CC=CC=C1 M5997 [1,0,0,0,1,0|0,0,0]=2 156 B9R1.6 N=C(N)C1=CC=CC=C1 B11293 [1,0,0,0,1,0|1,0,1]=4 157 B9R1.6 N=C(N)C1=CC=CC=C1 B13002 [1,0,0,0,1,0|1,0,1]=4 158 B9R1.6 N=C(N)C1=CC=CC=C1 T1538 [1,0,0,0,1,0|1,0,1]=4 159 B9R1.13 CC(C)CC1=NC=CS1 I5359 [1,0,0,0,1,0|2,0,0]=4 160 B13R1.718 CC[C@H](O)CNCC1=CC=CC=C1 B16829 [0,0,0,0,0,2|2,0,0]=4