0 B10R1.17 BrCCOC1=CC=CC=C1 B3358 [0,0,0,0,0,0|1,0,0]=1 1 B10R1.17 BrCCOC1=CC=CC=C1 B3358 [0,0,0,0,0,0|1,0,0]=1 2 B10R1.17 CCCCC1=CC=CN=C1 B11443 [0,0,0,0,0,0|3,0,0]=3 3 B10R1.17 CCCCC1=NC=CC=C1 B11448 [0,0,0,0,0,0|3,0,0]=3 4 B10R1.17 CCCC[N+]1=CC=CC=C1 B7889 [0,0,0,0,0,0|3,0,0]=3 5 B10R1.17 CCCC[N+]1=CC=CC=C1 B9727 [0,0,0,0,0,0|3,0,0]=3 6 B10R1.17 CNCCC1=CC=CC=C1 M12421 [0,0,0,0,0,0|3,0,0]=3 7 B10R1.17 CNCCC1=CC=NC=C1 M12425 [0,0,0,0,0,0|4,0,0]=4 8 B10R1.17 CNCCC1=NC=CC=C1 B5398 [0,0,0,0,0,0|4,0,0]=4 9 B10R1.17 CNCCC1=NC=CC=C1 B6262 [0,0,0,0,0,0|4,0,0]=4 10 B10R1.17 ClCCOC1=CC=CC=C1 C3357 [0,0,0,0,0,0|1,0,0]=1 11 B10R1.17 ClCOCC1=CC=CC=C1 B7431 [0,0,0,0,0,0|3,0,0]=3 12 B10R1.17 NCCOC1=CC=CC=C1 P3356 [0,0,0,0,0,0|1,0,0]=1 13 B10R1.17 OCCOC1=CC=CC=C1 P2904 [0,0,0,0,0,0|0,0,0]=0 14 B9R1.8 BrCCC1=CC=CC=C1 B1499 [1,0,0,0,0,0|1,0,0]=2 15 B9R1.8 BrCCC1=NC=CC=C1 B18468 [1,0,0,0,0,0|2,0,0]=3 16 B9R1.8 CCC[N+]1=CC=CC=C1 P9114 [1,0,0,0,0,0|2,0,0]=3 17 B9R1.8 CNCC1=CC=CC=C1 C12471 [1,0,0,0,0,0|2,0,0]=3 18 B9R1.8 CNCC1=CN=CC=C1 M13405 [1,0,0,0,0,0|3,0,0]=4 19 B9R1.8 C\N=C/C1=CC=CC=C1 B11532 [1,0,0,0,0,0|2,0,0]=3 20 B9R1.8 NCCC1=CC=CC=C1 P18797 [1,0,0,0,0,0|1,0,0]=2 21 B9R1.8 NCCC1=CC=CC=C1 P19425 [1,0,0,0,0,0|1,0,0]=2 22 B9R1.8 NCCC1=CC=CC=N1 P3233 [1,0,0,0,0,0|2,0,0]=3 23 B9R1.8 NCCC1=CC=CN=C1 A18111 [1,0,0,0,0,0|2,0,0]=3 24 B9R1.8 NCCC1=CC=NC=C1 A18195 [1,0,0,0,0,0|2,0,0]=3 25 B9R1.8 NCCC1=CN=CC=C1 A12910 [1,0,0,0,0,0|2,0,0]=3 26 B9R1.8 NNCC1=CC=CC=C1 B8798 [1,0,0,0,0,0|2,0,0]=3 27 B9R1.8 NOCC1=CC=CC=C1 B7490 [1,0,0,0,0,0|2,0,0]=3 28 B9R1.8 NOCC1=CC=CC=C1 B7490 [1,0,0,0,0,0|2,0,0]=3 29 B9R1.8 OCCC1=NC=CC=C1 P0121 [1,0,0,0,0,0|1,0,0]=2 30 B9R1.8 OCCC1=NC=CN=C1 H13361 [1,0,0,0,0,0|2,0,0]=3 31 B9R1.8 O\N=C/C1=CC=CC=C1 B18348 [1,0,0,0,0,0|1,0,1]=3 32 B11R1.1 CCCCC1=CC=C(N)C=C1 B1469 [0,1,0,0,0,0|2,0,0]=3 33 B11R1.1 CCCCC1=CC=C(S)C=C1 B7731 [0,1,0,0,0,0|2,0,0]=3 34 B11R1.1 CNCCC1=CC=C(O)C=C1 M14940 [0,1,0,0,0,0|3,0,0]=4 35 B11R1.1 COCCC1=CC=C(O)C=C1 M0084 [0,1,0,0,0,0|3,0,0]=4 36 B11R1.1 ClCCOC1=CC=C(Cl)C=C1 C1057 [0,1,0,0,0,0|1,0,0]=2 37 B11R1.1 N#CCCC1=CC=C(Br)C=C1 B9442 [0,1,0,0,0,0|2,0,1]=4 38 B11R1.1 NCCNC1=NC=C(Br)C=C1 A18232 [0,1,0,0,0,0|3,0,0]=4 39 B11R1.1 NCCNC1=NC=C(Br)C=C1 B17568 [0,1,0,0,0,0|3,0,0]=4 40 B11R1.1 OCC#CC1=CC=C(Cl)C=C1 C7734 [0,1,0,0,0,0|1,0,1]=3 41 B11R1.1 [C-]#[N+]CCC1=CC=C(Br)C=C1 B9445 [0,1,0,0,0,0|3,0,0]=4 42 B11R1.16 CN(CCO)C1=NC=CC=C1 M17929 [0,1,0,0,0,0|2,0,0]=3 43 B11R1.16 CNCC(O)C1=CC=CC=C1 M12439 [0,1,0,0,0,0|3,0,0]=4 44 B11R1.16 NC(CCO)C1=CC=CN=C1 A14587 [0,1,0,0,0,0|2,0,0]=3 45 B11R1.16 O=C(CCCl)C1=CC=CC=C1 C4696 [0,1,0,0,0,0|2,0,0]=3 46 B11R1.16 O=C(NCO)C1=CC=CN=C1 H1222 [0,1,0,0,0,0|3,0,0]=4 47 B11R1.16 O[C@@H](CCCl)C1=CC=CC=C1 C7851 [0,1,0,0,0,0|2,0,0]=3 48 B11R1.16 O[C@H](CCCl)C1=CC=CC=C1 C7852 [0,1,0,0,0,0|2,0,0]=3 49 B11R1.17 OCC#CC1=C(Br)C=CC=C1 B9483 [0,1,0,0,0,0|1,0,1]=3 50 B11R1.17 OCC#CC1=C(Cl)C=CC=C1 C7732 [0,1,0,0,0,0|1,0,1]=3 51 B11R1.17 OCCOC1=C(I)C=NC=C1 H13244 [0,1,0,0,0,0|1,0,0]=2 52 B11R1.17 OCCSC1=C(Br)C=CC=C1 B10435 [0,1,0,0,0,0|0,1,0]=2 53 B11R1.24 CCCOC1=NC(S)=NC=C1 P7835 [0,1,0,0,0,0|3,0,0]=4 54 B11R1.24 OCC#CC1=CC=CC(Br)=C1 B9484 [0,1,0,0,0,0|1,0,1]=3 55 B11R1.24 OCC#CC1=CC=CC(Cl)=C1 C7733 [0,1,0,0,0,0|1,0,1]=3 56 B11R1.24 OCCOC1=CC(Br)=CN=C1 B13221 [0,1,0,0,0,0|1,0,0]=2 57 B11R1.24 [C-]#[N+]CCC1=CC(Br)=CC=C1 B9444 [0,1,0,0,0,0|3,0,0]=4 58 B11R1.28 C#CC\N=C/C1=CC=CC=C1 B18434 [0,1,0,0,0,0|2,0,1]=4 59 B11R1.28 C=CCNCC1=CC=CC=C1 A18060 [0,1,0,0,0,0|2,0,1]=4 60 B11R1.28 CCO\C=N\C1=CC=CC=C1 E19308 [0,1,0,0,0,0|2,0,1]=4 61 B11R1.28 OCCSCC1=CC=CC=C1 B3908 [0,1,0,0,0,0|0,1,0]=2 62 B11R1.40 N[C@@H](CO)CC1=CC=CC=C1 A2030 [0,1,0,0,0,0|1,0,0]=2 63 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 P5891 [0,1,0,0,0,0|1,0,0]=2 64 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 P5891 [0,1,0,0,0,0|1,0,0]=2 65 B11R1.40 O=C(CCl)NC1=CC=CC=C1 C7816 [0,1,0,0,0,0|2,0,1]=4 66 B11R1.91 CC(N)CCC1=CC=CC=C1 M0184 [0,1,0,0,0,0|2,0,0]=3 67 B11R1.91 N=C(N)COC1=CC=CC=C1 P16903 [0,1,0,0,0,0|1,0,1]=3 68 B11R1.91 O=C(O)CCC1=CC=CC=C1 P11665 [0,1,0,0,0,0|1,0,1]=3 69 B11R1.91 O=C(O)CCC1=NC=CC=C1 P14084 [0,1,0,0,0,0|2,0,1]=4 70 B11R1.91 O=C(O)CNC1=CC=CC=C1 P17764 [0,1,0,0,0,0|1,0,1]=3 71 B11R1.91 O=C(O)CSC1=CC=CC=C1 T3907 [0,1,0,0,0,0|0,1,1]=3 72 B11R1.91 O=C(O)CSC1=CC=NC=C1 P3183 [0,1,0,0,0,0|1,1,1]=4 73 B11R2.1 ClC1CCC2=CC=CC=C21 C17006 [0,0,0,1,0,0|2,0,0]=3 74 B11R2.1 NC1=NOC2=CC=CC=C21 B12537 [0,0,0,1,0,0|2,0,1]=4 75 B11R2.1 NC1CCC2=CC=CC=C21 I17072 [0,0,0,1,0,0|2,0,0]=3 76 B11R2.1 O=C1CCC2=CC=CC=C12 I4017 [0,0,0,1,0,0|1,0,2]=4 77 B11R2.1 O=C1COC2=C1C=CC=C2 C11757 [0,0,0,1,0,0|0,0,2]=3 78 B11R2.1 OC1CCC2=CC=CC=C21 I17073 [0,0,0,1,0,0|1,0,0]=2 79 B11R2.1 ON1N=NC2=C1C=CC=C2 H19007 [0,0,0,1,0,0|3,0,0]=4 80 B11R2.20 C1=CC=C2COCCC2=C1 D11474 [0,0,0,1,0,0|3,0,0]=4 81 B11R2.20 C1=CC=C2OCCNC2=C1 B12887 [0,0,0,1,0,0|1,0,0]=2 82 B11R2.20 C1=CN=C2CCCCC2=C1 C11016 [0,0,0,1,0,0|3,0,0]=4 83 B11R2.20 C1=CN=C2CCCCC2=C1 C11016 [0,0,0,1,0,0|3,0,0]=4 84 B8R1.2 C#CC1=CC=CC=C1 P18887 [2,0,0,0,0,0|0,0,2]=4 85 B8R1.2 CC[N+]1=CC=CC=C1 E8507 [2,0,0,0,0,0|1,0,0]=3 86 B8R1.2 COC1=CC=NC=C1 M3232 [2,0,0,0,0,0|1,0,0]=3 87 B8R1.2 COC1=CC=NC=C1 M3232 [2,0,0,0,0,0|1,0,0]=3 88 B8R1.2 ClCC1=CC=CN=C1 C1770 [2,0,0,0,0,0|2,0,0]=4 89 B8R1.2 ClCC1=CC=NC=C1 C2804 [2,0,0,0,0,0|2,0,0]=4 90 B8R1.2 ClCC1=NC=CC=C1 C5538 [2,0,0,0,0,0|2,0,0]=4 91 B8R1.2 NCC1=CC=CN=C1 P2319 [2,0,0,0,0,0|2,0,0]=4 92 B8R1.2 OCC1=CN=CN=C1 P17132 [2,0,0,0,0,0|2,0,0]=4 93 B8R1.2 OCC1=NC=CC=C1 P1495 [2,0,0,0,0,0|1,0,0]=3 94 B8R1.2 OCC1=NC=CC=N1 P17605 [2,0,0,0,0,0|2,0,0]=4 95 B8R1.2 OCC1=NC=NC=C1 P14938 [2,0,0,0,0,0|2,0,0]=4 96 B10R1.1 CCOC1=CC=C(Br)C=N1 B9112 [1,1,0,0,0,0|1,0,0]=3 97 B10R1.1 CCOC1=CC=C(I)C=C1 I10965 [1,1,0,0,0,0|0,0,0]=2 98 B10R1.1 CNCC1=CC=C(F)C=C1 F17963 [1,1,0,0,0,0|2,0,0]=4 99 B10R1.1 ClC1=CC=C(CCBr)C=C1 B9884 [1,1,0,0,0,0|1,0,0]=3 100 B10R1.1 FC1=CC=C(CCBr)C=C1 B9148 [1,1,0,0,0,0|1,0,0]=3 101 B10R1.1 FC1=CC=C(CCCl)C=C1 C7477 [1,1,0,0,0,0|1,0,0]=3 102 B10R1.1 N#CCC1=CC=C(Br)C=C1 B0747 [1,1,0,0,0,0|1,0,1]=4 103 B10R1.1 N#CCC1=CC=C(Cl)C=C1 C18852 [1,1,0,0,0,0|1,0,1]=4 104 B10R1.1 N#CCC1=CC=C(F)C=C1 F0758 [1,1,0,0,0,0|1,0,1]=4 105 B10R1.1 N#CCC1=CC=C(N)C=C1 A0432 [1,1,0,0,0,0|1,0,1]=4 106 B10R1.1 N#CCC1=CC=C(O)C=C1 H0435 [1,1,0,0,0,0|1,0,1]=4 107 B10R1.1 NC1=CC=C(CCO)C=C1 A6857 [1,1,0,0,0,0|0,0,0]=2 108 B10R1.1 NCCC1=CC=C(Br)C=C1 B2101 [1,1,0,0,0,0|1,0,0]=3 109 B10R1.1 NCCC1=CC=C(Cl)C=C1 C2522 [1,1,0,0,0,0|1,0,0]=3 110 B10R1.1 NCCC1=CC=C(N)C=C1 A18081 [1,1,0,0,0,0|1,0,0]=3 111 B10R1.1 NCCC1=CC=C(N)C=C1 A18082 [1,1,0,0,0,0|1,0,0]=3 112 B10R1.1 NCCC1=CC=C(O)C=C1 T0145 [1,1,0,0,0,0|1,0,0]=3 113 B10R1.1 NCCC1=CC=C(O)C=C1 T0145 [1,1,0,0,0,0|1,0,0]=3 114 B10R1.1 OCCC1=CC=C(Br)C=C1 B18704 [1,1,0,0,0,0|0,0,0]=2 115 B10R1.1 OCCC1=CC=C(F)C=C1 F4316 [1,1,0,0,0,0|0,0,0]=2 116 B10R1.1 [C-]#[N+]CC1=CC=C(Br)C=C1 B8836 [1,1,0,0,0,0|2,0,0]=4 117 B10R1.4 CC1=NC=CN=C1CCO H13358 [1,1,0,0,0,0|2,0,0]=4 118 B10R1.4 CCNC1=NC=CC=C1N E16040 [1,1,0,0,0,0|2,0,0]=4 119 B10R1.4 CCOC1=CC=CN=C1N E16039 [1,1,0,0,0,0|1,0,0]=3 120 B10R1.4 CCOC1=NC=CN=C1C E0883 [1,1,0,0,0,0|2,0,0]=4 121 B10R1.4 ClC1=C(CCBr)C=CC=C1 B9886 [1,1,0,0,0,0|1,0,0]=3 122 B10R1.4 FC1=C(CCBr)C=CC=C1 B9149 [1,1,0,0,0,0|1,0,0]=3 123 B10R1.4 N#CCC1=C(Br)C=CC=C1 B0604 [1,1,0,0,0,0|1,0,1]=4 124 B10R1.4 N#CCC1=CC=CC=C1Cl C5020 [1,1,0,0,0,0|1,0,1]=4 125 B10R1.4 N#CCC1=CC=CC=C1F F3993 [1,1,0,0,0,0|1,0,1]=4 126 B10R1.4 NCCC1=CC=CC=C1N A18075 [1,1,0,0,0,0|1,0,0]=3 127 B10R1.4 NCCC1=CC=CC=C1N A18076 [1,1,0,0,0,0|1,0,0]=3 128 B10R1.4 NCCC1=CC=CC=C1O A15642 [1,1,0,0,0,0|1,0,0]=3 129 B10R1.4 O\N=C\C1=CC=CC=C1Cl C11090 [1,1,0,0,0,0|1,0,1]=4 130 B10R1.10 CC1=CC=CC(CCBr)=N1 B13336 [1,1,0,0,0,0|2,0,0]=4 131 B10R1.10 CCCC1=CC=CC(N)=N1 P17223 [1,1,0,0,0,0|2,0,0]=4 132 B10R1.10 CCOC1=CC(Br)=CC=C1 B18703 [1,1,0,0,0,0|0,0,0]=2 133 B10R1.10 CCOC1=CC(F)=CC=C1 F5499 [1,1,0,0,0,0|0,0,0]=2 134 B10R1.10 CCOC1=CC=CC(N)=N1 E0124 [1,1,0,0,0,0|1,0,0]=3 135 B10R1.10 CCOC1=CC=CC(S)=C1 E1129 [1,1,0,0,0,0|0,0,0]=2 136 B10R1.10 ClC1=CC(CCBr)=CC=C1 C9887 [1,1,0,0,0,0|1,0,0]=3 137 B10R1.10 FCOC1=CC(Br)=CC=C1 F5304 [1,1,0,0,0,0|1,0,0]=3 138 B10R1.10 N#CCC1=CC(N)=CC=C1 A0433 [1,1,0,0,0,0|1,0,1]=4 139 B10R1.10 N#CCC1=CC=CC(Br)=C1 B1331 [1,1,0,0,0,0|1,0,1]=4 140 B10R1.10 N#CCC1=CC=CC(Cl)=C1 C18898 [1,1,0,0,0,0|1,0,1]=4 141 B10R1.10 N#CCC1=CC=CC(F)=C1 F1335 [1,1,0,0,0,0|1,0,1]=4 142 B10R1.10 NCCC1=CC(F)=CC=C1 F11687 [1,1,0,0,0,0|1,0,0]=3 143 B10R1.10 NCCC1=CC(F)=CC=C1 F11687 [1,1,0,0,0,0|1,0,0]=3 144 B10R1.10 NCCC1=CC(N)=CC=C1 A18201 [1,1,0,0,0,0|1,0,0]=3 145 B10R1.10 NCCC1=CC=CC(Br)=C1 B18673 [1,1,0,0,0,0|1,0,0]=3 146 B10R1.10 NCCC1=CC=CC(O)=C1 H7973 [1,1,0,0,0,0|1,0,0]=3 147 B10R1.15 CCC(=O)C1=CC=CC=C1 P18860 [1,1,0,0,0,0|1,0,0]=3 148 B10R1.15 CC[C@@H](N)C1=CC=CC=C1 E6698 [1,1,0,0,0,0|1,0,0]=3 149 B10R1.15 CC[C@H](N)C1=CC=CC=C1 E6699 [1,1,0,0,0,0|1,0,0]=3 150 B10R1.15 NCC(=O)C1=CC=CC=C1 A17693 [1,1,0,0,0,0|1,0,1]=4 151 B10R1.15 NC[C@@H](O)C1=CC=CC=C1 A14785 [1,1,0,0,0,0|1,0,0]=3 152 B10R1.15 NC[C@H](O)C1=CC=CC=C1 A18262 [1,1,0,0,0,0|1,0,0]=3 153 B10R1.15 N\C(=N\O)C1=CC=CC=C1 B13505 [1,1,0,0,0,0|1,0,1]=4 154 B10R1.15 O=C(CBr)C1=CC=CC=C1 B17692 [1,1,0,0,0,0|1,0,1]=4 155 B10R1.15 OC[C@@H](O)C1=CC=CC=C1 P4802 [1,1,0,0,0,0|0,0,0]=2 156 B10R1.15 OC[C@H](O)C1=CC=CC=C1 P4801 [1,1,0,0,0,0|0,0,0]=2 157 B10R1.15 OC[C@H](O)C1=CC=CC=C1 P4801 [1,1,0,0,0,0|0,0,0]=2 158 B10R1.15 [C@@H](N)(CO)C1=CC=CC=C1 P5892 [1,1,0,0,0,0|0,0,0]=2 159 B10R1.15 [C@@H](N)(CO)C1=CC=CC=C1 P5892 [1,1,0,0,0,0|0,0,0]=2 160 B10R1.15 [C@H](N)(CO)C1=CC=CC=C1 P1975 [1,1,0,0,0,0|0,0,0]=2 161 B10R1.18 CN(C)CC1=CC=CC=C1 D18840 [1,1,0,0,0,0|2,0,0]=4 162 B10R1.18 N=C(N)CC1=CC=CC=C1 P13924 [1,1,0,0,0,0|1,0,1]=4 163 B10R1.18 O=C(O)CC1=CC=CN=C1 P3052 [1,1,0,0,0,0|1,0,1]=4 164 B10R1.18 O=C(O)CC1=CC=NC=C1 P7971 [1,1,0,0,0,0|1,0,1]=4 165 B10R1.18 O=C(O)CC1=NC=CC=C1 P7970 [1,1,0,0,0,0|1,0,1]=4 166 B10R1.11 NC(CCO)C1=COC=C1 A14586 [0,1,0,0,1,0|2,0,0]=4 167 B12R1.1 CCCCCC1=CC=C(Br)C=C1 B10180 [0,2,0,0,0,0|2,0,0]=4 168 B12R1.1 CCCCCC1=CC=C(O)C=C1 P7653 [0,2,0,0,0,0|2,0,0]=4 169 B12R1.1 CCCCOC1=CC=C(N)C=C1 B7681 [0,2,0,0,0,0|1,0,0]=3 170 B12R1.1 CCCCOC1=CC=C(O)C=C1 B6915 [0,2,0,0,0,0|1,0,0]=3 171 B12R1.1 FC1=CC=C(OCCCCl)C=C1 C1091 [0,2,0,0,0,0|1,0,0]=3 172 B12R1.1 N(CCO)CC1=CC=C(F)C=C1 F7810 [0,2,0,0,0,0|1,0,0]=3 173 B12R1.16 CC1=CC=C(C(=O)CCCl)C=C1 C3843 [0,2,0,0,0,0|2,0,0]=4 174 B12R1.16 CCCC(=O)C1=CC=C(O)C=C1 H5061 [0,2,0,0,0,0|2,0,0]=4 175 B12R1.16 NC(CCO)C1=CC=C(Br)C=C1 B18648 [0,2,0,0,0,0|1,0,0]=3 176 B12R1.16 NC(CCO)C1=CC=C(Cl)C=C1 A14594 [0,2,0,0,0,0|1,0,0]=3 177 B12R1.16 NC(CCO)C1=CC=C(F)C=C1 A14601 [0,2,0,0,0,0|1,0,0]=3 178 B12R1.16 NC1=CC=C(C(N)CCO)C=C1 A18162 [0,2,0,0,0,0|1,0,0]=3 179 B12R1.16 N[C@@H](CCO)C1=CC=C(Br)C=C1 B18642 [0,2,0,0,0,0|1,0,0]=3 180 B12R1.16 O=C(CCCl)C1=CC=C(Br)C=C1 B3795 [0,2,0,0,0,0|2,0,0]=4 181 B12R1.16 O=C(CCCl)C1=CC=C(Cl)C=C1 D3857 [0,2,0,0,0,0|2,0,0]=4 182 B12R1.21 CC1=CC=C(SCC(=O)O)C=C1 M3913 [0,2,0,0,0,0|0,1,1]=4 183 B12R1.21 C[C@@H](N)CCC1=CC=C(O)C=C1 A15452 [0,2,0,0,0,0|2,0,0]=4 184 B12R1.21 N=C(N)COC1=CC=C(Cl)C=C1 C14734 [0,2,0,0,0,0|1,0,1]=4 185 B12R1.21 O=C(O)CCC1=CC=C(Br)C=C1 B10266 [0,2,0,0,0,0|1,0,1]=4 186 B12R1.21 O=C(O)CCC1=CC=C(Cl)C=C1 C8385 [0,2,0,0,0,0|1,0,1]=4 187 B12R1.21 O=C(O)CCC1=CC=C(F)C=C1 F2688 [0,2,0,0,0,0|1,0,1]=4 188 B12R1.21 O=C(O)CCC1=CC=C(O)C=C1 H0304 [0,2,0,0,0,0|1,0,1]=4 189 B12R1.21 O=C(O)COC1=CC=C(Br)C=C1 B1089 [0,2,0,0,0,0|0,0,1]=3 190 B12R1.21 O=C(O)COC1=CC=C(F)C=C1 F5239 [0,2,0,0,0,0|0,0,1]=3 191 B12R1.21 O=C(O)COC1=CC=C(I)C=C1 I0062 [0,2,0,0,0,0|0,0,1]=3 192 B12R1.21 O=C(O)CSC1=CC=C(Cl)C=C1 C13273 [0,2,0,0,0,0|0,1,1]=4 193 B12R1.49 CCC(C)OC1=CC=C(Cl)C=C1 C8394 [0,2,0,0,0,0|1,0,0]=3 194 B12R1.69 C#CCOC1=C(Cl)C=C(Cl)C=C1 D9066 [0,2,0,0,0,0|1,0,1]=4 195 B12R1.69 CC1=C(OCCO)C=CC(I)=C1 I12886 [0,2,0,0,0,0|0,0,0]=2 196 B12R1.69 CC1=CC(C)=C(SCCO)C=C1 D8287 [0,2,0,0,0,0|0,1,0]=3 197 B12R1.69 CCCOC1=C(S)C=C(Cl)C=C1 P3884 [0,2,0,0,0,0|1,0,0]=3 198 B12R1.69 NC1=CC=C(OCCO)C(N)=C1 D10686 [0,2,0,0,0,0|0,0,0]=2 199 B12R1.71 C#CC1=CC=C(CCCC)C=C1 B11663 [0,2,0,0,0,0|2,0,0]=4 200 B12R1.71 CCCCC1=CC=C(C#N)C=C1 B7487 [0,2,0,0,0,0|2,0,0]=4 201 B12R1.71 CCCCC1=CC=C(NN)C=C1 B9062 [0,2,0,0,0,0|2,0,0]=4 202 B12R1.385 CC1=C(O)C=C(NCCO)C=C1 M7016 [0,2,0,0,0,0|1,0,0]=3 203 B12R1.385 CC1=CC=C(SCCO)C=C1C D8290 [0,2,0,0,0,0|0,1,0]=3 204 B12R1.385 CCCOC1=CC=C(N)C(N)=C1 P6665 [0,2,0,0,0,0|1,0,0]=3 205 B12R1.3 CCN(CCCl)C1=CC=CC=C1 C8346 [0,2,0,0,0,0|2,0,0]=4 206 B12R1.17 NC(CCO)C1=CC(F)=CC=C1 A14599 [0,2,0,0,0,0|1,0,0]=3 207 B12R1.17 NC1=CC([C@@H](N)CCO)=CC=C1 A18163 [0,2,0,0,0,0|1,0,0]=3 208 B12R1.17 N[C@@H](CCO)C1=CC=CC(Br)=C1 B18643 [0,2,0,0,0,0|1,0,0]=3 209 B12R1.17 N[C@@H](CCO)C1=CC=CC(Br)=C1 B18644 [0,2,0,0,0,0|1,0,0]=3 210 B12R1.30 CNCCC(Cl)C1=CC=CC=C1 M9900 [0,2,0,0,0,0|2,0,0]=4 211 B12R1.30 CNCCC(O)C1=CC=CC=C1 M0082 [0,2,0,0,0,0|2,0,0]=4 212 B12R1.34 CN(C(=O)CO)C1=CC=CC=C1 H1068 [0,2,0,0,0,0|1,0,1]=4 213 B12R1.34 N[C@@H](CO)[C@@H](O)C1=CC=CC=C1 A0003 [0,2,0,0,0,0|1,0,0]=3 214 B12R1.39 O=S(=O)(CCCl)C1=CC=CC=C1 C9220 [0,2,0,0,0,0|1,1,0]=4 215 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 A12635 [0,2,0,0,0,0|1,0,1]=4 216 B12R1.107 O=C(O)CC(O)C1=CC=CC=C1 H14844 [0,2,0,0,0,0|1,0,1]=4 217 B12R1.308 CCCC(=O)C1=C(O)C=CC=C1 H7637 [0,2,0,0,0,0|2,0,0]=4 218 B12R1.308 NC(CCO)C1=C(F)C=CC=C1 A15486 [0,2,0,0,0,0|1,0,0]=3 219 B12R1.308 NC1=CC=CC=C1C(N)CCO A18165 [0,2,0,0,0,0|1,0,0]=3 220 B12R1.308 NC1=CC=CC=C1[C@@H](N)CCO A18164 [0,2,0,0,0,0|1,0,0]=3 221 B12R1.121 C=CCOC1=CC=CC=C1C=O A13286 [0,2,0,0,0,0|1,0,1]=4 222 B12R1.121 CCC1=C(OCCBr)C=CC=C1 B10273 [0,2,0,0,0,0|1,0,0]=3 223 B12R1.121 COC1=C(OCCN)C=CC=C1 M3237 [0,2,0,0,0,0|1,0,0]=3 224 B12R1.121 COC1=C(OCCN)C=CC=C1 M3355 [0,2,0,0,0,0|1,0,0]=3 225 B12R1.121 COC1=CC=CC=C1OCCCl M8464 [0,2,0,0,0,0|1,0,0]=3 226 B12R1.125 O=C(O)CCC1=CC=CC=C1Br B10264 [0,2,0,0,0,0|1,0,1]=4 227 B12R1.125 O=C(O)CCC1=CC=CC=C1F F2686 [0,2,0,0,0,0|1,0,1]=4 228 B12R1.374 CC1=CC(SCCO)=C(C)C=C1 D8288 [0,2,0,0,0,0|0,1,0]=3 229 B12R1.1631 CC1=CC=CC(C)=C1SCCO D8289 [0,2,0,0,0,0|0,1,0]=3 230 B12R1.28 CC1=CC=CC(NCCC#N)=C1 T1572 [0,2,0,0,0,0|2,0,0]=4 231 B12R1.100 CC1=CC(C)=CC(SCCO)=C1 D8291 [0,2,0,0,0,0|0,1,0]=3 232 B12R1.226 NC1=CC(CCC(=O)O)=CC=C1 A1801 [0,2,0,0,0,0|1,0,1]=4 233 B12R1.226 O=C(O)CCC1=CC(O)=CC=C1 H7709 [0,2,0,0,0,0|1,0,1]=4 234 B12R1.226 O=C(O)CCC1=CC=CC(Br)=C1 B10265 [0,2,0,0,0,0|1,0,1]=4 235 B12R1.226 O=C(O)CCC1=CC=CC(F)=C1 F2687 [0,2,0,0,0,0|1,0,1]=4 236 B12R1.226 O=C(O)COC1=CC(Cl)=CC=C1 C17836 [0,2,0,0,0,0|0,0,1]=3 237 B12R1.226 O=C(O)COC1=CC(F)=CC=C1 F17844 [0,2,0,0,0,0|0,0,1]=3 238 B12R1.382 CNC1=CC(CCCO)=CC=C1 M7686 [0,2,0,0,0,0|1,0,0]=3 239 B12R1.8 CCCCNCC1=CC=CC=C1 B7598 [0,2,0,0,0,0|2,0,0]=4 240 B12R1.8 OCCCNCC1=CC=CC=C1 B7682 [0,2,0,0,0,0|1,0,0]=3 241 B12R1.27 CC(CO)NCC1=CC=CC=C1 B14686 [0,2,0,0,0,0|1,0,0]=3 242 B12R1.27 CCC(=O)CCC1=CC=CC=C1 P7542 [0,2,0,0,0,0|2,0,0]=4 243 B12R1.27 NCC(=O)OCC1=CC=CC=C1 B9098 [0,2,0,0,0,0|1,0,1]=4 244 B12R1.27 NCC(O)COC1=CC=CC=C1 A13152 [0,2,0,0,0,0|0,0,0]=2 245 B12R1.32 CCCC(=O)OC1=CC=CC=C1 P7639 [0,2,0,0,0,0|1,0,0]=3 246 B12R1.252 N=C(N)CCOC1=CC=CC=C1 P16902 [0,2,0,0,0,0|1,0,0]=3 247 B12R1.252 O=C(O)CNCC1=CC=CC=C1 B3212 [0,2,0,0,0,0|1,0,1]=4 248 B12R1.252 O=C(O)CNCC1=CC=CC=C1 B9099 [0,2,0,0,0,0|1,0,1]=4 249 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O A5988 [0,2,0,0,0,0|1,0,1]=4 250 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O P0823 [0,2,0,0,0,0|1,0,1]=4 251 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 P7705 [0,2,0,0,0,0|1,0,1]=4 252 B12R1.43 O=C(O)[C@H](O)CC1=CC=CC=C1 H7711 [0,2,0,0,0,0|1,0,1]=4 253 B12R1.118 CNC(CO)CC1=CC=CC=C1 M7684 [0,2,0,0,0,0|1,0,0]=3 254 B12R1.118 CNC(CO)CC1=CC=CC=C1 M9105 [0,2,0,0,0,0|1,0,0]=3 255 B10R2.6 C1=CC=C([C@@H]2CO2)C=C1 P4799 [1,0,0,1,0,0|0,0,0]=2 256 B10R2.6 C1=CC=C([C@H]2CO2)C=C1 P4800 [1,0,0,1,0,0|0,0,0]=2 257 B10R2.6 C1=CC=C([C@H]2CO2)C=C1 P4800 [1,0,0,1,0,0|0,0,0]=2 258 B10R2.7 C1=CC2=C(C=C1)OCO2 M1431 [1,0,0,1,0,0|0,0,0]=2 259 B10R2.7 C1=CC=C2OC=CC2=C1 B1365 [1,0,0,1,0,0|0,0,2]=4 260 B10R2.7 C1=CC=C2OC=CC2=C1 B1365 [1,0,0,1,0,0|0,0,2]=4 261 B10R2.7 C1=CN=C2CCCC2=C1 C2921 [1,0,0,1,0,0|2,0,0]=4 262 B10R2.7 C1=CN=C2NCCC2=C1 D12529 [1,0,0,1,0,0|2,0,0]=4 263 B12R2.24 BrC1=CC2=C(C=C1)OCCO2 B9673 [0,1,0,1,0,0|0,0,0]=2 264 B12R2.24 NC1=CC=C2CCCNC2=C1 A3707 [0,1,0,1,0,0|2,0,0]=4 265 B12R2.24 NC1CNC2=C(C=CC=C2)C1 A12895 [0,1,0,1,0,0|2,0,0]=4 266 B12R2.24 N[C@H]1CCC2=C(C=CC=C2)C1 T11003 [0,1,0,1,0,0|2,0,0]=4 267 B12R2.24 OC1=CC2=C(C=C1)NCCC2 T14402 [0,1,0,1,0,0|2,0,0]=4 268 B12R2.24 OC1=CC=C2OCCOC2=C1 H14413 [0,1,0,1,0,0|0,0,0]=2 269 B12R2.132 CC1=CC=C2CCC(Cl)C2=C1 C17003 [0,1,0,1,0,0|2,0,0]=4 270 B12R2.132 CC1=CC=C2CCC(N)C2=C1 M17107 [0,1,0,1,0,0|2,0,0]=4 271 B12R2.2 C1=CC=C(C2=NCCC2)C=C1 P14087 [0,1,0,1,0,0|2,0,0]=4 272 B12R2.2 C1=CC=C(C2CCCN2)C=C1 P12434 [0,1,0,1,0,0|2,0,0]=4 273 B12R2.2 C1=CC=C(C2CCNC2)C=C1 P12433 [0,1,0,1,0,0|2,0,0]=4 274 B12R2.1081 CC1NCCC2=C1C=CC=C2 M19306 [0,1,0,1,0,0|2,0,0]=4 275 B12R2.1081 NC1=C2CCCCC2=CC=C1 T4743 [0,1,0,1,0,0|2,0,0]=4 276 B12R2.1081 NC1CCNC2=CC=CC=C21 T16044 [0,1,0,1,0,0|2,0,0]=4 277 B12R2.1081 OC1CCCC2=NC=CC=C21 H13328 [0,1,0,1,0,0|2,0,0]=4 278 B12R2.32 OCC1=CC2=C(C=CC=C2)S1 B7651 [0,1,0,1,0,0|0,1,1]=4 279 B12R2.32 OCC1=NC2=C(C=CC=C2)S1 B7680 [0,1,0,1,0,0|0,1,1]=4 280 B12R2.1 BrCC1=NOC2=C1C=CC=C2 B18337 [0,1,0,1,0,0|1,0,1]=4 281 B12R2.1 OCC1=CNC2=C1C=CC=C2 I4944 [0,1,0,1,0,0|1,0,1]=4 282 B12R2.2057 C1=CC=C(OC[C@@H]2CO2)C=C1 E4816 [0,1,0,1,0,0|0,0,0]=2 283 B12R2.2057 C1=CC=C(OC[C@H]2CO2)C=C1 E4817 [0,1,0,1,0,0|0,0,0]=2 284 B12R2.18 N[C@@H]1C2=CC=CC=C2C[C@@H]1O A7187 [0,1,0,1,0,0|2,0,0]=4 285 B12R2.18 N[C@H]1C2=C(C=CC=C2)C[C@H]1O A6026 [0,1,0,1,0,0|2,0,0]=4 286 B12R2.18 O[C@H]1C2=C(C=CC=C2)C[C@@H]1Br B9587 [0,1,0,1,0,0|1,0,0]=3 287 B12R2.2403 NC1(O)CCC2=C1C=CC=C2 A15409 [0,1,0,1,0,0|1,0,0]=3 288 B8R1.8 NCCC1=CC=CS1 T0651 [1,0,0,0,1,0|2,0,0]=4 289 B8R1.8 NCCC1=CSC=C1 A18159 [1,0,0,0,1,0|2,0,0]=4 290 B8R1.8 OCCC1=CC=CS1 T0443 [1,0,0,0,1,0|1,0,0]=3 291 B8R1.8 OCCC1=CNC=N1 I11788 [1,0,0,0,1,0|2,0,0]=4 292 B8R1.8 OCCC1=CNC=N1 I11788 [1,0,0,0,1,0|2,0,0]=4 293 B8R1.8 OCCN1C=CN=C1 H1461 [1,0,0,0,1,0|2,0,0]=4