0 B10R1.17 C=C\C=C\C1=CC=CC=C1 54349 [0,0,0,0,0,0|2,0,1]=3 1 B10R1.17 CCCCC1=CC=NC=C1 BL000376 [0,0,0,0,0,0|3,0,1]=4 2 B10R1.17 CCCOC1=CC=CC=C1 C75927 [0,0,0,0,0,0|3,0,1]=4 3 B10R1.17 CCNCC1=CC=CC=C1 D77748 [0,0,0,0,0,0|2,0,1]=3 4 B10R1.17 CNCCC1=CC=CN=C1 AR1271 [0,0,0,0,0,0|4,0,0]=4 5 B10R1.17 CNNCC1=CC=CC=C1 30192 [0,0,0,0,0,0|3,0,0]=3 6 B10R1.17 CNNCC1=CC=CN=C1 30189 [0,0,0,0,0,0|4,0,0]=4 7 B10R1.17 ICCCC1=CC=CC=C1 AC6098 [0,0,0,0,0,0|2,0,1]=3 8 B10R1.17 N#CCCC1=CC=NC=C1 P16939 [0,0,0,0,0,0|3,0,1]=4 9 B10R1.17 NCC#CC1=CC=CC=C1 AB10164 [0,0,0,0,0,0|2,0,2]=4 10 B10R1.17 NCCCC1=CC=CN=C1 31799 [0,0,0,0,0,0|3,0,1]=4 11 B10R1.17 NCCCC1=CC=NC=C1 S12068 [0,0,0,0,0,0|3,0,1]=4 12 B10R1.17 SCCCC1=CC=NC=C1 F18251 [0,0,0,0,0,0|2,1,1]=4 13 B10R1.17 [C-]#[N+]CCC1=CC=CC=C1 50056 [0,0,0,0,0,0|3,0,0]=3 14 B9R1.8 BrC#CC1=CC=CC=C1 A51120 [1,0,0,0,0,0|1,0,2]=4 15 B9R1.8 BrCCC1=CC=NC=C1 C71689 [1,0,0,0,0,0|2,0,1]=4 16 B9R1.8 CNCC1=CC=NC=C1 AR1712 [1,0,0,0,0,0|2,0,1]=4 17 B9R1.8 ClCCC1=CC=NC=C1 O11064 [1,0,0,0,0,0|2,0,1]=4 18 B9R1.8 NNCC1=CC=CN=C1 78930 [1,0,0,0,0,0|3,0,0]=4 19 B9R1.8 NNCC1=CC=NC=C1 37009 [1,0,0,0,0,0|3,0,0]=4 20 B9R1.8 NNCC1=CC=NC=C1 BL009189 [1,0,0,0,0,0|3,0,0]=4 21 B9R1.8 NNCC1=NC=CC=C1 78929 [1,0,0,0,0,0|3,0,0]=4 22 B9R1.8 NOCC1=CN=CC=C1 AC6038 [1,0,0,0,0,0|2,0,0]=3 23 B9R1.8 N\N=C\C1=CC=CC=C1 D81797 [1,0,0,0,0,0|2,0,1]=4 24 B9R1.8 O\N=C/C1=CC=CC=C1 N10040 [1,0,0,0,0,0|1,0,2]=4 25 B9R1.8 [C-]#[N+]CC1=CC=CC=C1 C11398 [1,0,0,0,0,0|1,0,1]=3 26 B11R1.1 C=CCCC1=CC=C(Br)C=C1 VT1222 [0,1,0,0,0,0|2,0,0]=3 27 B11R1.1 C=CCCC1=CC=C(O)C=C1 AC1840 [0,1,0,0,0,0|2,0,0]=3 28 B11R1.1 CCNCC1=CC=C(C)C=C1 78307 [0,1,0,0,0,0|2,0,1]=4 29 B11R1.1 CCNCC1=CC=C(N)C=C1 AC1810 [0,1,0,0,0,0|2,0,1]=4 30 B11R1.1 CCNCC1=CC=C(O)C=C1 31967 [0,1,0,0,0,0|2,0,1]=4 31 B11R1.1 CCOCC1=CC=C(Br)C=C1 W19177 [0,1,0,0,0,0|1,0,1]=3 32 B11R1.1 CCOCC1=CC=C(O)C=C1 27758 [0,1,0,0,0,0|1,0,1]=3 33 B11R1.1 CCOCC1=CN=C(Cl)C=C1 D73333 [0,1,0,0,0,0|2,0,1]=4 34 B11R1.1 CNCCC1=CC=C(N)C=C1 76010 [0,1,0,0,0,0|3,0,0]=4 35 B11R1.1 FC1=CC=C(CCCBr)C=C1 AB8466 [0,1,0,0,0,0|2,0,1]=4 36 B11R1.1 FC1=CC=C(CCCI)C=C1 AC3098 [0,1,0,0,0,0|2,0,1]=4 37 B11R1.1 N#CCCC1=CC=C(Br)C=C1 O10869 [0,1,0,0,0,0|2,0,1]=4 38 B11R1.1 NCCCC1=CC=C(F)C=C1 C72058 [0,1,0,0,0,0|2,0,1]=4 39 B11R1.1 O=CCCC1=CC=C(Br)C=C1 29444 [0,1,0,0,0,0|1,0,0]=2 40 B11R1.1 O=CCCC1=CC=C(Cl)C=C1 AB6893 [0,1,0,0,0,0|1,0,0]=2 41 B11R1.1 O=CCCC1=CC=C(O)C=C1 F19751 [0,1,0,0,0,0|1,0,0]=2 42 B11R1.16 C=CC[C@H](N)C1=CC=CC=C1 I11297 [0,1,0,0,0,0|2,0,0]=3 43 B11R1.16 C=CC[C@H](N)C1=CC=CC=C1 Y10366 [0,1,0,0,0,0|2,0,0]=3 44 B11R1.16 C=CC[C@H](N)C1=CC=CC=C1 Y12585 [0,1,0,0,0,0|2,0,0]=3 45 B11R1.16 C=CC[C@H](N)C1=CC=CC=C1 Y13293 [0,1,0,0,0,0|2,0,0]=3 46 B11R1.16 CCC[C@H](N)C1=CC=CC=C1 Y10270 [0,1,0,0,0,0|2,0,1]=4 47 B11R1.16 CCC[C@H](N)C1=CC=CC=C1 Y11637 [0,1,0,0,0,0|2,0,1]=4 48 B11R1.16 CCC[C@H](N)C1=CC=CC=C1 Y11944 [0,1,0,0,0,0|2,0,1]=4 49 B11R1.16 COC[C@H](N)C1=CC=CC=C1 N12553 [0,1,0,0,0,0|3,0,0]=4 50 B11R1.16 C[C@@H](CCN)C1=CC=CC=C1 AC6042 [0,1,0,0,0,0|2,0,1]=4 51 B11R1.16 C[C@H](N=C=O)C1=CC=CC=C1 D87824 [0,1,0,0,0,0|1,0,1]=3 52 B11R1.16 N#CC[C@H](O)C1=CC=CC=C1 AB1470 [0,1,0,0,0,0|2,0,1]=4 53 B11R1.16 N[C@@H](CCO)C1=CC=CC=C1 65208 [0,1,0,0,0,0|1,0,2]=4 54 B11R1.17 C=CCCC1=C(Br)C=CC=C1 20639 [0,1,0,0,0,0|2,0,0]=3 55 B11R1.17 C=CCOC1=C(O)C=CC=C1 H11445 [0,1,0,0,0,0|3,0,0]=4 56 B11R1.17 CCNCC1=C(O)C=CC=C1 AC1355 [0,1,0,0,0,0|2,0,1]=4 57 B11R1.17 COCCC1=C(O)C=CC=C1 D94967 [0,1,0,0,0,0|3,0,0]=4 58 B11R1.17 FC1=C(CCCBr)C=CC=C1 AB10312 [0,1,0,0,0,0|2,0,1]=4 59 B11R1.17 NC1=C(CCCO)C=CC=C1 Y12219 [0,1,0,0,0,0|1,0,2]=4 60 B11R1.17 NCCCC1=C(Br)C=CC=C1 AC1659 [0,1,0,0,0,0|2,0,1]=4 61 B11R1.17 O=CCCC1=C(Cl)C=CC=C1 20776 [0,1,0,0,0,0|1,0,0]=2 62 B11R1.17 O=C\C=C\C1=C(F)C=CC=C1 24137 [0,1,0,0,0,0|1,0,1]=3 63 B11R1.17 OCCCC1=C(Cl)C=CC=C1 AB3571 [0,1,0,0,0,0|1,0,2]=4 64 B11R1.17 OCCCC1=C(F)C=CC=C1 AB3823 [0,1,0,0,0,0|1,0,2]=4 65 B11R1.24 CCCCC1=CC=CC(F)=C1 36944 [0,1,0,0,0,0|2,0,1]=4 66 B11R1.24 CCNCC1=CC=CC(O)=C1 31617 [0,1,0,0,0,0|2,0,1]=4 67 B11R1.24 NCCCC1=CC=CC(Cl)=C1 F20098 [0,1,0,0,0,0|2,0,1]=4 68 B11R1.24 O=CCCC1=CC=CC(Br)=C1 A10169 [0,1,0,0,0,0|1,0,0]=2 69 B11R1.24 OCCCC1=CC=CC(Cl)=C1 AB3572 [0,1,0,0,0,0|1,0,2]=4 70 B11R1.24 OCCCC1=CC=CC(F)=C1 AB3824 [0,1,0,0,0,0|1,0,2]=4 71 B11R1.28 BrCCSCC1=CC=CC=C1 D80856 [0,1,0,0,0,0|1,1,1]=4 72 B11R1.28 C#CCNCC1=CC=CC=C1 W16389 [0,1,0,0,0,0|2,0,1]=4 73 B11R1.28 CC#CCOC1=CC=CC=C1 W17093 [0,1,0,0,0,0|2,0,1]=4 74 B11R1.28 CNCCCC1=CC=CC=C1 AR3929 [0,1,0,0,0,0|2,0,1]=4 75 B11R1.28 ICCOCC1=CC=CC=C1 70075 [0,1,0,0,0,0|1,0,1]=3 76 B11R1.28 N#CCNCC1=CC=CC=C1 80731 [0,1,0,0,0,0|2,0,1]=4 77 B11R1.28 NCCCOC1=CC=CC=C1 76995 [0,1,0,0,0,0|2,0,1]=4 78 B11R1.28 NCCCOC1=CC=CC=C1 AB7704 [0,1,0,0,0,0|2,0,1]=4 79 B11R1.28 O=CCCCC1=CN=CC=C1 P16929 [0,1,0,0,0,0|2,0,0]=3 80 B11R1.40 C#C[C@@H](O)CC1=CC=CC=C1 C75175 [0,1,0,0,0,0|2,0,1]=4 81 B11R1.40 C=C[C@@H](N)CC1=CC=CC=C1 Y10008 [0,1,0,0,0,0|2,0,0]=3 82 B11R1.40 NCC(=O)CC1=CC=CC=C1 A10565 [0,1,0,0,0,0|2,0,1]=4 83 B11R1.40 N\C(CC1=CC=CC=C1)=N/O W18702 [0,1,0,0,0,0|2,0,1]=4 84 B11R1.40 O=C(CCl)CC1=CC=CC=C1 Y10931 [0,1,0,0,0,0|2,0,1]=4 85 B11R1.40 OC[C@@H](Br)CC1=CC=CC=C1 D80460 [0,1,0,0,0,0|1,0,2]=4 86 B11R1.91 CC(=O)C#CC1=CC=CC=C1 F21355 [0,1,0,0,0,0|1,0,1]=3 87 B11R1.91 C[C@H](N)CCC1=CC=CC=C1 Y11691 [0,1,0,0,0,0|2,0,1]=4 88 B11R1.91 NC(=O)CCC1=CC=NC=C1 AC6902 [0,1,0,0,0,0|2,0,0]=3 89 B11R1.91 NC(=O)CCC1=CN=CC=C1 AC6901 [0,1,0,0,0,0|2,0,0]=3 90 B11R1.91 NC(=O)COC1=CC=CC=C1 N16863 [0,1,0,0,0,0|2,0,0]=3 91 B11R1.91 O=C(O)C#CC1=CC=NC=C1 AC1699 [0,1,0,0,0,0|2,0,1]=4 92 B11R1.91 O=C(O)C#CC1=CN=CC=C1 O10892 [0,1,0,0,0,0|2,0,1]=4 93 B11R1.91 O=C(O)C#CC1=NC=CC=C1 W11288 [0,1,0,0,0,0|2,0,1]=4 94 B11R1.91 O=C(O)CCC1=CN=CN=C1 72064 [0,1,0,0,0,0|3,0,0]=4 95 B11R1.91 O=C(O)CCC1=CN=NC=C1 P17753 [0,1,0,0,0,0|3,0,0]=4 96 B11R1.91 O=C(O)CNC1=CC=NC=C1 CS1833 [0,1,0,0,0,0|3,0,0]=4 97 B11R1.91 O=C(O)COC1=CC=NC=C1 C75738 [0,1,0,0,0,0|3,0,0]=4 98 B11R1.91 O=C(O)COC1=NC=CC=C1 SC3951 [0,1,0,0,0,0|3,0,0]=4 99 B11R1.91 O=C([O-])CCC1=CC=CC=C1 A11567 [0,1,0,0,0,0|1,0,0]=2 100 B11R1.91 O=[N+]([O-])CCC1=CC=CC=C1 35117 [0,1,0,0,0,0|2,0,0]=3 101 B11R2.1 BrC1=NSC2=C1C=CC=C2 D84733 [0,0,0,1,0,0|3,0,0]=4 102 B11R2.1 C=C1CCC2=C1C=CC=C2 AC3155 [0,0,0,1,0,0|2,0,0]=3 103 B11R2.1 CC1=CCC2=C1C=CC=C2 C76459 [0,0,0,1,0,0|2,0,0]=3 104 B11R2.1 CN1CCC2=C1C=CC=C2 D83554 [0,0,0,1,0,0|3,0,0]=4 105 B11R2.1 C[C@@H]1NCC2=C1C=CC=C2 E72710 [0,0,0,1,0,0|2,0,1]=4 106 B11R2.1 ClC1=COC2=C1C=CC=C2 F14423 [0,0,0,1,0,0|3,0,0]=4 107 B11R2.1 FC1=NNC2=C1C=CC=C2 F30837 [0,0,0,1,0,0|3,0,0]=4 108 B11R2.1 NC1=CNC2=C1C=CC=C2 51896 [0,0,0,1,0,0|3,0,0]=4 109 B11R2.1 NC1=CSC2=C1C=CC=C2 25380 [0,0,0,1,0,0|3,0,0]=4 110 B11R2.1 NC1=NCC2=C1C=CC=C2 32182 [0,0,0,1,0,0|2,0,0]=3 111 B11R2.1 NN1CCC2=C1C=CC=C2 C90200 [0,0,0,1,0,0|3,0,0]=4 112 B11R2.1 O=C1C=CC2=C1C=CC=C2 O10409 [0,0,0,1,0,0|1,0,1]=3 113 B11R2.1 O=C1CCC2=C1C=CN=C2 67473 [0,0,0,1,0,0|2,0,0]=3 114 B11R2.1 O=C1CCC2=C1C=NC=C2 P10633 [0,0,0,1,0,0|2,0,0]=3 115 B11R2.1 O=C1COC2=C1C=CN=C2 65977 [0,0,0,1,0,0|3,0,0]=4 116 B11R2.1 O=C1COC2=C1C=CN=C2 W17205 [0,0,0,1,0,0|3,0,0]=4 117 B11R2.1 O=C1CSC2=C1C=CC=C2 26760 [0,0,0,1,0,0|2,0,0]=3 118 B11R2.1 O=C1NCC2=C1C=CC=N2 84460 [0,0,0,1,0,0|2,0,0]=3 119 B11R2.1 O=C1NCC2=C1C=CN=C2 F19961 [0,0,0,1,0,0|2,0,0]=3 120 B11R2.1 O=C1NCC2=C1C=NC=C2 37545 [0,0,0,1,0,0|2,0,0]=3 121 B11R2.1 O=C1NCC2=C1CC=CC2 P15954 [0,0,0,1,0,0|1,0,2]=4 122 B11R2.1 O=C1NCC2=CC=CN=C12 87908 [0,0,0,1,0,0|2,0,0]=3 123 B11R2.1 O=C1NCC2=NC=CN=C12 AT22460 [0,0,0,1,0,0|3,0,0]=4 124 B11R2.1 O=C1NCC2=NC=CN=C12 P20256 [0,0,0,1,0,0|3,0,0]=4 125 B11R2.1 O=C1NNC2=C1C=CC=N2 36117 [0,0,0,1,0,0|3,0,0]=4 126 B11R2.1 O=C1NNC2=C1C=CN=C2 F50508 [0,0,0,1,0,0|3,0,0]=4 127 B11R2.1 O=C1NNC2=CC=CN=C12 36532 [0,0,0,1,0,0|3,0,0]=4 128 B11R2.1 OC1=NNC2=C1C=CC=C2 C71048 [0,0,0,1,0,0|2,0,1]=4 129 B11R2.1 O[C@H]1CCC2=C1C=CC=C2 D70931 [0,0,0,1,0,0|1,0,2]=4 130 B11R2.4 NC1CC1C2=CC=CC=C2 P17182 [0,0,0,1,0,0|2,0,1]=4 131 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 C15693 [0,0,0,1,0,0|2,0,1]=4 132 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 C15694 [0,0,0,1,0,0|2,0,1]=4 133 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 D94291 [0,0,0,1,0,0|2,0,1]=4 134 B11R2.4 N[C@H]1C[C@H]1C2=CC=CC=C2 P16183 [0,0,0,1,0,0|2,0,1]=4 135 B11R2.4 OC1CC1C2=CC=CC=C2 F50832 [0,0,0,1,0,0|1,0,2]=4 136 B11R2.20 C1=CC2=C(C=C1)CCN=C2 F12436 [0,0,0,1,0,0|3,0,0]=4 137 B11R2.20 C1=CC2=C(C=C1)OCC=C2 N13096 [0,0,0,1,0,0|3,0,0]=4 138 B11R2.20 C1=CC=C2N=NC=CC2=C1 76492 [0,0,0,1,0,0|3,0,0]=4 139 B11R2.20 C1=CC=C2N=NC=CC2=C1 Y10640 [0,0,0,1,0,0|3,0,0]=4 140 B11R2.239 C1=CC=C(C2CNC2)C=C1 84171 [0,0,0,1,0,0|3,0,0]=4 141 B11R2.239 C1=CC=C(C2COC2)C=C1 F51875 [0,0,0,1,0,0|3,0,0]=4 142 B11R2.239 C1=CC=C([C@@H]2CCN2)C=C1 C90175 [0,0,0,1,0,0|2,0,1]=4 143 B8R1.2 NCC1=CC=CC=C1 RB3068 [2,0,0,0,0,0|1,0,0]=3 144 B8R1.2 NCC1=CC=NC=C1 35876 [2,0,0,0,0,0|2,0,0]=4 145 B8R1.2 O=CC1=NC=NC=C1 26359 [2,0,0,0,0,0|2,0,0]=4 146 B8R1.2 OCC1=CN=NC=C1 37054 [2,0,0,0,0,0|2,0,0]=4 147 B8R1.2 SCC1=CC=NC=C1 F18336 [2,0,0,0,0,0|1,1,0]=4 148 B8R1.2 SCC1=CN=CC=C1 F18343 [2,0,0,0,0,0|1,1,0]=4 149 B8R1.2 SCC1=NC=CC=C1 Y10072 [2,0,0,0,0,0|1,1,0]=4 150 B8R1.2 [C-]#[N+]C1=CC=CC=C1 AB1473 [2,0,0,0,0,0|1,0,1]=4 151 B10R1.1 C=CCC1=CC=C(O)C=C1 AC1877 [1,1,0,0,0,0|1,0,0]=3 152 B10R1.1 CC1=CC=C(CNN)C=C1 O10109 [1,1,0,0,0,0|2,0,0]=4 153 B10R1.1 CNCC1=CC=C(O)C=C1 31972 [1,1,0,0,0,0|1,0,1]=4 154 B10R1.1 COCC1=CC=C(O)C=C1 63646 [1,1,0,0,0,0|0,0,1]=3 155 B10R1.1 CSCC1=CC=C(Br)C=C1 W19176 [1,1,0,0,0,0|0,1,1]=4 156 B10R1.1 CSCC1=CC=C(C)C=C1 W19462 [1,1,0,0,0,0|0,1,1]=4 157 B10R1.1 CSCC1=CC=C(F)C=C1 W18716 [1,1,0,0,0,0|0,1,1]=4 158 B10R1.1 NNCC1=CC=C(F)C=C1 36999 [1,1,0,0,0,0|2,0,0]=4 159 B10R1.1 NOCC1=CC=C(Cl)C=C1 78769 [1,1,0,0,0,0|1,0,0]=3 160 B10R1.1 O=CCC1=CC=C(Cl)C=C1 74968 [1,1,0,0,0,0|0,0,0]=2 161 B10R1.4 CC1=C(CCN)C=CC=C1 C78305 [1,1,0,0,0,0|1,0,1]=4 162 B10R1.4 COCC1=C(O)C=CC=C1 AC1453 [1,1,0,0,0,0|0,0,1]=3 163 B10R1.4 N#CCC1=C(O)C=CC=C1 32266 [1,1,0,0,0,0|1,0,1]=4 164 B10R1.4 NCCC1=C(O)C=CC=C1 83456 [1,1,0,0,0,0|1,0,1]=4 165 B10R1.4 NNCC1=C(Br)C=CC=C1 37005 [1,1,0,0,0,0|2,0,0]=4 166 B10R1.4 O=CCC1=C(Br)C=CC=C1 W16824 [1,1,0,0,0,0|0,0,0]=2 167 B10R1.4 O=CCC1=C(F)C=CC=C1 W16825 [1,1,0,0,0,0|0,0,0]=2 168 B10R1.4 [BH3-]C1=C(CNC)C=CC=C1 AC8598 [1,1,0,0,0,0|1,0,1]=4 169 B10R1.10 C=CCC1=CC=CC(O)=C1 AC1729 [1,1,0,0,0,0|1,0,0]=3 170 B10R1.10 CC1=CC=CC(CCCl)=C1 C74996 [1,1,0,0,0,0|1,0,1]=4 171 B10R1.10 CCCC1=CC=CC(Br)=C1 W17019 [1,1,0,0,0,0|1,0,1]=4 172 B10R1.10 CCCC1=CC=CC(N)=C1 S11405 [1,1,0,0,0,0|1,0,1]=4 173 B10R1.10 CNCC1=CC(C)=CC=C1 C78188 [1,1,0,0,0,0|1,0,1]=4 174 B10R1.10 COCC1=CC(Br)=CN=C1 W19232 [1,1,0,0,0,0|1,0,1]=4 175 B10R1.10 COCC1=CC(Cl)=NC=C1 CS1797 [1,1,0,0,0,0|1,0,1]=4 176 B10R1.10 CSCC1=CC(F)=CC=C1 A12575 [1,1,0,0,0,0|0,1,1]=4 177 B10R1.10 CSCC1=CC=CC(Br)=C1 W10420 [1,1,0,0,0,0|0,1,1]=4 178 B10R1.10 CSCC1=CC=CC(Cl)=C1 W19463 [1,1,0,0,0,0|0,1,1]=4 179 B10R1.10 NCCC1=CC=CC(N)=C1 51444 [1,1,0,0,0,0|1,0,1]=4 180 B10R1.10 NNCC1=CC=CC(Br)=C1 AC3898 [1,1,0,0,0,0|2,0,0]=4 181 B10R1.10 NNCC1=CC=CC(F)=C1 75837 [1,1,0,0,0,0|2,0,0]=4 182 B10R1.10 O=CCC1=CC=CC(Br)=C1 AB10311 [1,1,0,0,0,0|0,0,0]=2 183 B10R1.10 O=CCC1=CC=CC(F)=C1 W16826 [1,1,0,0,0,0|0,0,0]=2 184 B10R1.15 C#C[C@@H](O)C1=CC=CC=C1 31291 [1,1,0,0,0,0|1,0,1]=4 185 B10R1.15 C#C[C@@H](O)C1=CC=CC=C1 32646 [1,1,0,0,0,0|1,0,1]=4 186 B10R1.15 C=CC(=O)C1=CC=CC=C1 77875 [1,1,0,0,0,0|1,0,1]=4 187 B10R1.15 C=C[C@H](N)C1=CC=CC=C1 Y11941 [1,1,0,0,0,0|1,0,0]=3 188 B10R1.15 C=C[C@H](N)C1=CC=CC=C1 Y11942 [1,1,0,0,0,0|1,0,0]=3 189 B10R1.15 C=C[C@H](N)C1=CC=CC=C1 Y12425 [1,1,0,0,0,0|1,0,0]=3 190 B10R1.15 CC[C@H](Br)C1=CC=CC=C1 A11640 [1,1,0,0,0,0|1,0,1]=4 191 B10R1.15 CC[C@H](O)C1=CC=CC=C1 T71858 [1,1,0,0,0,0|1,0,1]=4 192 B10R1.15 CC[C@H](O)C1=CC=CC=C1 T72707 [1,1,0,0,0,0|1,0,1]=4 193 B10R1.15 CN(C=O)C1=NC=CC=C1 A12745 [1,1,0,0,0,0|2,0,0]=4 194 B10R1.15 F[C@@H](CBr)C1=CC=CC=C1 32835 [1,1,0,0,0,0|1,0,1]=4 195 B10R1.15 NC[C@H](N)C1=CC=CC=C1 N12631 [1,1,0,0,0,0|1,0,1]=4 196 B10R1.15 O=C[C@H](Br)C1=CC=CC=C1 F13390 [1,1,0,0,0,0|0,0,0]=2 197 B10R1.15 O[C@@H](CF)C1=CC=CC=C1 C91661 [1,1,0,0,0,0|1,0,1]=4 198 B10R1.18 BrC(Br)=CC1=CC=CC=C1 31017 [1,1,0,0,0,0|1,0,1]=4 199 B10R1.18 CC(=O)CC1=CN=CC=C1 28512 [1,1,0,0,0,0|1,0,0]=3 200 B10R1.18 CC(=O)NC1=CC=CC=C1 D72485 [1,1,0,0,0,0|1,0,0]=3 201 B10R1.18 N=C(N)CC1=CC=CC=C1 F19863 [1,1,0,0,0,0|1,0,0]=3 202 B10R1.18 NC(=O)CC1=NC=CC=N1 26281 [1,1,0,0,0,0|2,0,0]=4 203 B10R1.18 NC(=S)CC1=CC=CC=C1 71029 [1,1,0,0,0,0|0,1,0]=3 204 B10R1.18 O=C(O)CC1=CN=CN=C1 24619 [1,1,0,0,0,0|2,0,0]=4 205 B10R1.18 O=C([O-])CC1=CN=NC=C1 P14654 [1,1,0,0,0,0|2,0,0]=4 206 B10R1.18 O=C([O-])CC1=NC=NC=C1 27827 [1,1,0,0,0,0|2,0,0]=4 207 B10R1.66 O=C(O)CCC1=CC=CN1 35365 [0,1,0,0,1,0|2,0,0]=4 208 B10R1.66 O=C(O)CCC1=CC=CS1 69875 [0,1,0,0,1,0|2,0,0]=4 209 B10R1.66 O=C(O)CCC1=CNC=C1 65418 [0,1,0,0,1,0|2,0,0]=4 210 B12R1.16 C=CC[C@H](N)C1=CC=C(F)C=C1 74243 [0,2,0,0,0,0|2,0,0]=4 211 B12R1.16 C=CC[C@H](N)C1=CC=C(F)C=C1 74244 [0,2,0,0,0,0|2,0,0]=4 212 B12R1.16 C=CC[C@H](N)C1=CC=C(F)C=C1 74245 [0,2,0,0,0,0|2,0,0]=4 213 B12R1.16 C=CC[C@H](N)C1=CC=C(F)C=C1 I11603 [0,2,0,0,0,0|2,0,0]=4 214 B12R1.16 C=CC[C@H](N)C1=CC=C(F)C=C1 I11639 [0,2,0,0,0,0|2,0,0]=4 215 B12R1.16 C=CC[C@H](N)C1=CC=C(F)C=C1 N10600 [0,2,0,0,0,0|2,0,0]=4 216 B12R1.21 CC(=O)CCC1=CC=C(F)C=C1 D71139 [0,2,0,0,0,0|1,0,0]=3 217 B12R1.21 CC(=O)NCC1=CC=C(F)C=C1 20599 [0,2,0,0,0,0|1,0,0]=3 218 B12R1.21 CC(=O)\C=C\C1=CC=C(Br)C=C1 F12211 [0,2,0,0,0,0|1,0,1]=4 219 B12R1.21 CC(C)OCC1=CC=C(Br)C=C1 N10192 [0,2,0,0,0,0|1,0,1]=4 220 B12R1.21 CC1=CN=C(CCC(=O)O)C=C1 72577 [0,2,0,0,0,0|2,0,0]=4 221 B12R1.21 CC1=NC=C(CCC(=O)O)C=C1 72581 [0,2,0,0,0,0|2,0,0]=4 222 B12R1.21 N=C(N)SCC1=CC=C(F)C=C1 AR2252 [0,2,0,0,0,0|1,1,0]=4 223 B12R1.21 NC(=O)NCC1=CC=C(N)C=C1 46011 [0,2,0,0,0,0|1,0,0]=3 224 B12R1.21 NC1=NC=C(CCC(=O)O)C=C1 75631 [0,2,0,0,0,0|2,0,0]=4 225 B12R1.21 O=C(O)C#CC1=CC=C(Cl)C=C1 25118 [0,2,0,0,0,0|1,0,1]=4 226 B12R1.21 O=C(O)C#CC1=CC=C(F)C=C1 89770 [0,2,0,0,0,0|1,0,1]=4 227 B12R1.21 O=C(O)CCC1=CC=C(S)C=C1 T72748 [0,2,0,0,0,0|1,0,0]=3 228 B12R1.21 O=C(O)CCC1=CN=C(Br)C=C1 F30869 [0,2,0,0,0,0|2,0,0]=4 229 B12R1.30 O=CNCC(=O)C1=CC=CC=C1 C76338 [0,2,0,0,0,0|1,0,0]=3 230 B12R1.39 CC(C)(CC=O)C1=CC=CC=C1 C75972 [0,2,0,0,0,0|1,0,0]=3 231 B12R1.107 C=C(NC(C)=O)C1=CC=CC=C1 84827 [0,2,0,0,0,0|1,0,1]=4 232 B12R1.107 CN(CC(=O)O)C1=CC=CC=C1 C74093 [0,2,0,0,0,0|2,0,0]=4 233 B12R1.107 C[C@@H](CC(=O)O)C1=CC=CC=C1 AC1152 [0,2,0,0,0,0|1,0,0]=3 234 B12R1.107 C[C@@H](CC(=O)O)C1=CC=CC=C1 AC6792 [0,2,0,0,0,0|1,0,0]=3 235 B12R1.107 C[C@@H](CC(=O)O)C1=NC=CC=C1 D93591 [0,2,0,0,0,0|2,0,0]=4 236 B12R1.107 NN(CC(=O)O)C1=CC=CC=C1 27905 [0,2,0,0,0,0|2,0,0]=4 237 B12R1.107 N[C@@H](CC(=O)O)C1=CC=NC=C1 Y11722 [0,2,0,0,0,0|2,0,0]=4 238 B12R1.107 N[C@@H](CC(=O)O)C1=NC=CC=C1 Y11797 [0,2,0,0,0,0|2,0,0]=4 239 B12R1.107 N[C@@H](CC(=O)O)C1=NC=CC=C1 Y11798 [0,2,0,0,0,0|2,0,0]=4 240 B12R1.107 O=C([O-])CC(=O)C1=CC=CC=C1 O12077 [0,2,0,0,0,0|1,0,1]=4 241 B12R1.121 COC1=C(CCC=O)C=CC=C1 F19725 [0,2,0,0,0,0|1,0,0]=3 242 B12R1.125 CC(=O)NCC1=C(O)C=CC=C1 C76570 [0,2,0,0,0,0|1,0,0]=3 243 B12R1.125 CC1=C(CCC(=O)O)C=CC=N1 72353 [0,2,0,0,0,0|2,0,0]=4 244 B12R1.125 CC1=C(CCC(=O)O)C=CC=N1 97407 [0,2,0,0,0,0|2,0,0]=4 245 B12R1.125 CC1=C(CCC(=O)O)C=NC=C1 72576 [0,2,0,0,0,0|2,0,0]=4 246 B12R1.125 CC1=CC=CN=C1CCC(=O)O 72065 [0,2,0,0,0,0|2,0,0]=4 247 B12R1.125 O=C(O)CNC1=C(Cl)C=CC=C1 E70332 [0,2,0,0,0,0|2,0,0]=4 248 B12R1.226 CC(=O)SCC1=CC=CC(I)=C1 21164 [0,2,0,0,0,0|0,1,0]=3 249 B12R1.226 CC1=CC(CCC(=O)O)=CN=C1 72580 [0,2,0,0,0,0|2,0,0]=4 250 B12R1.226 CC1=CC=CC(CCC(=O)O)=N1 71538 [0,2,0,0,0,0|2,0,0]=4 251 B12R1.226 CC1=NC=CC(CCC(=O)O)=C1 72670 [0,2,0,0,0,0|2,0,0]=4 252 B12R1.226 NC1=CC=CC(\C=C\C(=O)O)=C1 AT20412 [0,2,0,0,0,0|1,0,1]=4 253 B12R1.226 O=C(O)C#CC1=CC=CC(F)=C1 W19721 [0,2,0,0,0,0|1,0,1]=4 254 B12R1.226 O=C(O)CCC1=NC=CC(F)=C1 73058 [0,2,0,0,0,0|2,0,0]=4 255 B12R1.226 O=C(O)\C=C\C1=CC=CC(I)=C1 C75087 [0,2,0,0,0,0|1,0,1]=4 256 B12R1.8 C=CCCOCC1=CC=CC=C1 AC6656 [0,2,0,0,0,0|1,0,0]=3 257 B12R1.8 NCCCOCC1=CC=CC=C1 C73224 [0,2,0,0,0,0|1,0,1]=4 258 B12R1.27 C#CC(=O)OCC1=CC=CC=C1 20949 [0,2,0,0,0,0|0,0,0]=2 259 B12R1.27 CCC(=O)NCC1=CC=CC=C1 Y13566 [0,2,0,0,0,0|1,0,0]=3 260 B12R1.27 COC(=O)CCC1=NC=CC=C1 AC5808 [0,2,0,0,0,0|2,0,0]=4 261 B12R1.27 COC(=O)NCC1=CC=CC=C1 C75727 [0,2,0,0,0,0|1,0,0]=3 262 B12R1.27 C[C@@H](CO)OCC1=CC=CC=C1 Y10083 [0,2,0,0,0,0|0,0,2]=4 263 B12R1.27 O=C(CBr)CCC1=CC=CC=C1 A11325 [0,2,0,0,0,0|1,0,0]=3 264 B12R1.252 O=C(Cl)CCCC1=CC=CC=C1 F52615 [0,2,0,0,0,0|1,0,0]=3 265 B12R1.252 O=C(O)CCCC1=CC=NC=C1 F15138 [0,2,0,0,0,0|2,0,0]=4 266 B12R1.252 O=C(O)CCCC1=NC=CC=C1 O11098 [0,2,0,0,0,0|2,0,0]=4 267 B12R1.43 CC(=O)[C@@H](C)CC1=CC=CC=C1 Y10616 [0,2,0,0,0,0|1,0,0]=3 268 B12R1.43 C[C@@H](CC1=NC=CC=C1)C(=O)O F14472 [0,2,0,0,0,0|2,0,0]=4 269 B12R1.43 C[C@H](NC1=CC=CC=C1)C(=O)O D82882 [0,2,0,0,0,0|2,0,0]=4 270 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O C73515 [0,2,0,0,0,0|1,0,0]=3 271 B12R1.43 N[C@@H](CC1=CC=NC=C1)C(=O)O F16404 [0,2,0,0,0,0|2,0,0]=4 272 B12R1.43 O=C(O)C(=O)NC1=CC=CC=C1 W18568 [0,2,0,0,0,0|2,0,0]=4 273 B12R1.43 O=C(O)[C@@H](Br)CC1=CC=CC=C1 F16780 [0,2,0,0,0,0|1,0,0]=3 274 B10R1.172 C=CC1=CC=CC(C=O)=C1 C15241 [0,0,1,1,0,0|1,0,1]=4 275 B10R1.172 C=CC1=CC=CC(C=O)=N1 W15331 [0,0,1,1,0,0|2,0,0]=4 276 B10R2.7 C1=CC2=C(C=CO2)N=C1 BL002594 [1,0,0,1,0,0|2,0,0]=4 277 B10R2.7 C1=CC2=C(C=N1)N=CO2 C74415 [1,0,0,1,0,0|2,0,0]=4 278 B10R2.7 C1=CC2=CON=C2C=C1 T70698 [1,0,0,1,0,0|1,0,0]=3 279 B10R2.7 C1=CN=C2OC=CC2=C1 N13064 [1,0,0,1,0,0|2,0,0]=4 280 B10R2.7 C1=CN=C2OC=NC2=C1 32393 [1,0,0,1,0,0|2,0,0]=4 281 B10R2.320 O=C1CC2=C1C=CC=C2 67963 [1,0,0,1,0,0|0,0,0]=2 282 B12R2.24 BrC1=CC2=C(C=C1)CCOC2 O11641 [0,1,0,1,0,0|1,0,1]=4 283 B12R2.24 BrC1=CC2=C(C=C1)COCC2 72150 [0,1,0,1,0,0|1,0,1]=4 284 B12R2.24 CC1=CC2=C(C=C1)CCOC2 N14607 [0,1,0,1,0,0|1,0,1]=4 285 B12R2.24 O=C1C=C2C=CC=CC2=NN1 O11709 [0,1,0,1,0,0|2,0,0]=4 286 B12R2.24 O=C1CC2=C(C=CC=C2)CN1 C15389 [0,1,0,1,0,0|1,0,0]=3 287 B12R2.24 O=C1CCC2=C(C=CN=C2)N1 P10564 [0,1,0,1,0,0|2,0,0]=4 288 B12R2.24 O=C1CCC2=CC=CN=C2N1 66146 [0,1,0,1,0,0|2,0,0]=4 289 B12R2.24 O=C1NCC2=C(C=CC=C2)N1 C76098 [0,1,0,1,0,0|1,0,0]=3 290 B12R2.24 OC1=CC2=C(C=C1)CCOC2 Y13231 [0,1,0,1,0,0|1,0,1]=4 291 B12R2.24 OC1=CC2=C(C=C1)COCC2 N13209 [0,1,0,1,0,0|1,0,1]=4 292 B12R2.132 CC1=C2C=C(Cl)C=CC2=NO1 C75084 [0,1,0,1,0,0|2,0,0]=4 293 B12R2.132 CC1=CC2=C(C=C1)OCC2=O N12808 [0,1,0,1,0,0|2,0,0]=4 294 B12R2.132 CC1=CC2=C(C=C1)ONC2=O C76060 [0,1,0,1,0,0|2,0,0]=4 295 B12R2.132 NC1=CC2=C(C=C1)COB2O 70440 [0,1,0,1,0,0|1,0,1]=4 296 B12R2.132 NC1=CC2=C(C=C1)ONC2=O C76344 [0,1,0,1,0,0|2,0,0]=4 297 B12R2.132 O=C1COC2=C1C=C(Br)C=C2 24739 [0,1,0,1,0,0|2,0,0]=4 298 B12R2.132 O=C1COC2=C1C=C(O)C=C2 P16901 [0,1,0,1,0,0|2,0,0]=4 299 B12R2.132 O=C1CSC2=C1C=C(Br)C=C2 F11126 [0,1,0,1,0,0|2,0,0]=4 300 B12R2.132 O=C1NCC2=C1C=C(F)C=C2 84532 [0,1,0,1,0,0|1,0,0]=3 301 B12R2.132 O=C1NCC2=C1C=C(I)C=C2 87915 [0,1,0,1,0,0|1,0,0]=3 302 B12R2.132 O=C1NCC2=C1C=C(O)C=C2 82363 [0,1,0,1,0,0|1,0,0]=3 303 B12R2.132 O=C1NCC2=NC=C(Br)C=C12 O10970 [0,1,0,1,0,0|2,0,0]=4 304 B12R2.132 O=C1NOC2=C1C=C(Br)C=C2 27739 [0,1,0,1,0,0|2,0,0]=4 305 B12R2.132 O=C1NSC2=C1C=C(Br)C=C2 F30839 [0,1,0,1,0,0|2,0,0]=4 306 B12R2.132 O=C1OCC2=C1C=C(Cl)C=C2 76358 [0,1,0,1,0,0|0,0,0]=2 307 B12R2.132 O=C1OCC2=C1C=C(F)C=C2 Y10487 [0,1,0,1,0,0|0,0,0]=2 308 B12R2.132 O=C1OCC2=C1C=C(I)C=C2 82366 [0,1,0,1,0,0|0,0,0]=2 309 B12R2.132 OB1OCC2=C1C=C(F)C=C2 W19032 [0,1,0,1,0,0|1,0,1]=4 310 B12R2.132 OB1OCC2=C1C=C(O)C=C2 F12770 [0,1,0,1,0,0|1,0,1]=4 311 B12R2.2 C1=CC=C(C2=CC=CO2)C=C1 77950 [0,1,0,1,0,0|1,0,1]=4 312 B12R2.2 C1=CC=C(C2=CC=NO2)C=C1 T71521 [0,1,0,1,0,0|1,0,1]=4 313 B12R2.2 C1=CC=C(C2=COC=N2)C=C1 50592 [0,1,0,1,0,0|1,0,1]=4 314 B12R2.2 C1=CC=C(C2=NC=CO2)C=C1 36029 [0,1,0,1,0,0|1,0,1]=4 315 B12R2.27 O=CC1CC1C2=CC=NC=C2 30186 [0,1,0,1,0,0|2,0,0]=4 316 B12R2.1081 BrC1=C2CCOCC2=CC=C1 N13086 [0,1,0,1,0,0|1,0,1]=4 317 B12R2.1081 BrC1=C2COCCC2=CC=C1 72830 [0,1,0,1,0,0|1,0,1]=4 318 B12R2.1081 N[C@H]1COCC2=C1C=CC=C2 37330 [0,1,0,1,0,0|1,0,1]=4 319 B12R2.1081 N[C@H]1COCC2=C1C=CC=C2 SC2561 [0,1,0,1,0,0|1,0,1]=4 320 B12R2.1081 O=C1CC=CC2=C1C=CC=C2 F31381 [0,1,0,1,0,0|1,0,1]=4 321 B12R2.1081 O=C1CCCC2=C1C=CN=C2 51824 [0,1,0,1,0,0|2,0,0]=4 322 B12R2.1081 O=C1CCCC2=C1C=CN=C2 Y10029 [0,1,0,1,0,0|2,0,0]=4 323 B12R2.1081 O=C1CCCC2=C1C=NC=C2 60208 [0,1,0,1,0,0|2,0,0]=4 324 B12R2.1081 O=C1CCOC2=CC=CN=C12 50250 [0,1,0,1,0,0|2,0,0]=4 325 B12R2.1081 O=C1CNNC2=C1C=CC=C2 H10992 [0,1,0,1,0,0|2,0,0]=4 326 B12R2.1081 O=C1NCCC2=C1C=CC=N2 78448 [0,1,0,1,0,0|2,0,0]=4 327 B12R2.1081 O=C1NCCC2=C1C=NC=C2 P11596 [0,1,0,1,0,0|2,0,0]=4 328 B12R2.1081 O=C1OC=CC2=C1C=CC=C2 N10038 [0,1,0,1,0,0|0,0,1]=3 329 B12R2.1081 O[C@H]1COCC2=C1C=CC=C2 N13051 [0,1,0,1,0,0|0,0,2]=4 330 B12R2.2028 CN1NC(=O)C2=C1C=CC=C2 C71035 [0,1,0,1,0,0|2,0,0]=4 331 B12R2.2028 C[C@@H]1NC(=O)C2=C1C=CC=C2 72362 [0,1,0,1,0,0|1,0,0]=3 332 B12R2.2028 N[C@H]1NC(=O)C2=C1C=CC=C2 Y10046 [0,1,0,1,0,0|1,0,0]=3 333 B12R2.196 CC1=CC=CC2=C1CNC2=O 80956 [0,1,0,1,0,0|1,0,0]=3 334 B12R2.196 NC1=CC=CC2=C1COB2O D78898 [0,1,0,1,0,0|1,0,1]=4 335 B12R2.196 O=C1COC2=C(Cl)C=CC=C12 AT10339 [0,1,0,1,0,0|2,0,0]=4 336 B12R2.196 O=C1NCC2=C(Cl)C=CC=C12 F17918 [0,1,0,1,0,0|1,0,0]=3 337 B12R2.196 O=C1NCC2=C(F)C=CC=C12 94869 [0,1,0,1,0,0|1,0,0]=3 338 B12R2.196 O=C1NCC2=C1C=CC=C2O 52838 [0,1,0,1,0,0|1,0,0]=3 339 B12R2.196 O=C1OCC2=C(F)C=CC=C12 89370 [0,1,0,1,0,0|0,0,0]=2 340 B12R2.196 O=C1OCC2=C1C=CC=C2O 76130 [0,1,0,1,0,0|0,0,0]=2 341 B12R2.196 OB1OCC2=C(F)C=CC=C12 N16983 [0,1,0,1,0,0|1,0,1]=4 342 B12R2.203 NC1=C2C(=O)CCC2=CC=C1 79955 [0,1,0,1,0,0|1,0,0]=3 343 B12R2.203 NC1=C2C(=O)NCC2=CC=C1 P10726 [0,1,0,1,0,0|1,0,0]=3 344 B12R2.203 NC1=C2C(=O)OCC2=CC=C1 F16457 [0,1,0,1,0,0|0,0,0]=2 345 B12R2.203 O=C1CCC2=CC=CC(Cl)=C12 58274 [0,1,0,1,0,0|1,0,0]=3 346 B12R2.203 O=C1COC2=CC=CC(Br)=C12 F13692 [0,1,0,1,0,0|2,0,0]=4 347 B12R2.203 O=C1COC2=CC=CC(F)=C12 C16679 [0,1,0,1,0,0|2,0,0]=4 348 B12R2.203 O=C1NCC2=C1C(Cl)=NC=C2 D96489 [0,1,0,1,0,0|2,0,0]=4 349 B12R2.203 O=C1NCC2=CC=CC(F)=C12 90046 [0,1,0,1,0,0|1,0,0]=3 350 B12R2.203 O=C1OCC2=CC=CC(Br)=C12 Y12627 [0,1,0,1,0,0|0,0,0]=2 351 B12R2.203 O=C1OCC2=CC=CC(F)=C12 N13153 [0,1,0,1,0,0|0,0,0]=2 352 B12R2.203 O=C1OCC2=CC=CC(I)=C12 D83894 [0,1,0,1,0,0|0,0,0]=2 353 B12R2.612 CC1=CC2=C(C=C1)C(=O)OC2 78098 [0,1,0,1,0,0|0,0,0]=2 354 B12R2.612 CC1=CC2=C(C=N1)C(=O)CC2 66309 [0,1,0,1,0,0|2,0,0]=4 355 B12R2.612 NC1=CC2=C(C=C1)C(=O)NN2 20323 [0,1,0,1,0,0|2,0,0]=4 356 B12R2.612 O=C1CCC2=C1C=CC(I)=C2 78363 [0,1,0,1,0,0|1,0,0]=3 357 B12R2.612 O=C1CCC2=CC(Br)=CN=C12 85957 [0,1,0,1,0,0|2,0,0]=4 358 B12R2.612 O=C1COC2=C1C=CC(Br)=C2 67306 [0,1,0,1,0,0|2,0,0]=4 359 B12R2.612 O=C1NCC2=C1C=CC(Cl)=C2 83087 [0,1,0,1,0,0|1,0,0]=3 360 B12R2.612 O=C1NCC2=C1C=CC(Cl)=N2 83999 [0,1,0,1,0,0|2,0,0]=4 361 B12R2.612 O=C1NCC2=CC(Br)=CN=C12 52917 [0,1,0,1,0,0|2,0,0]=4 362 B12R2.612 O=C1NOC2=C1C=CC(F)=C2 26667 [0,1,0,1,0,0|2,0,0]=4 363 B12R2.612 O=C1NSC2=C1C=CC(F)=C2 S10563 [0,1,0,1,0,0|2,0,0]=4 364 B12R2.612 O=C1OCC2=CC(Cl)=NC=C12 P13253 [0,1,0,1,0,0|1,0,0]=3 365 B12R2.612 OB1OCC2=C1C=CC(O)=C2 P15896 [0,1,0,1,0,0|1,0,1]=4 366 B12R2.1 CO[C@H]1OCC2=C1C=CC=C2 T71210 [0,1,0,1,0,0|0,0,2]=4 367 B12R2.1 O=CC1=COC2=C1C=CC=C2 29951 [0,1,0,1,0,0|1,0,1]=4 368 B12R2.23 O=C1CCN1C2=CC=CC=C2 W16382 [0,1,0,1,0,0|1,0,0]=3 369 B12R2.23 O=C1CC[C@@H]1C2=CC=CC=C2 84064 [0,1,0,1,0,0|1,0,0]=3 370 B12R2.2403 O=S1(=O)CCC2=C1C=CC=C2 W16179 [0,1,0,1,0,0|2,0,0]=4