0 B9R1.12 CCNCC1=CC=CO1 C77903 [0,0,0,0,0,0|2,0,2]=4 1 B8R1.8 OCCC1=CC=CO1 W10532 [1,0,0,0,0,0|0,0,3]=4 2 B10R1.66 O=C(O)CCC1=CC=CN1 35365 [0,1,0,0,0,0|1,0,2]=4 3 B10R1.66 O=C(O)CCC1=CC=CS1 69875 [0,1,0,0,0,0|0,1,2]=4 4 B10R1.66 O=C(O)\C=C\C1=NC=CS1 AC7829 [0,1,0,0,0,0|1,1,0]=3 5 B10R2.7 C1=CC2=C(C=CO2)N=C1 BL002594 [0,0,0,1,0,0|1,0,0]=2 6 B10R2.7 C1=CC2=C(C=N1)N=CO2 C74415 [0,0,0,1,0,0|3,0,0]=4 7 B10R2.7 C1=CC2=CC=CN2C=C1 D94752 [0,0,0,1,0,0|2,0,0]=3 8 B10R2.7 C1=CC2=CC=NN2C=C1 21533 [0,0,0,1,0,0|3,0,0]=4 9 B10R2.7 C1=CC2=CON=C2C=C1 T70698 [0,0,0,1,0,0|3,0,0]=4 10 B10R2.7 C1=CN=C2C=NNC2=C1 20297 [0,0,0,1,0,0|3,0,0]=4 11 B10R2.7 C1=CN=C2OC=CC2=C1 N13064 [0,0,0,1,0,0|2,0,0]=3 12 B10R2.7 C1=CN=C2OC=NC2=C1 32393 [0,0,0,1,0,0|3,0,0]=4 13 B10R1.17 C=C\C=C\C1=CC=CC=C1 54349 [0,0,0,0,0,1|2,0,0]=3 14 B10R1.17 OC\C=C\C1=NC=CC=C1 AC7737 [0,0,0,0,0,1|1,0,2]=4 15 B7R1.1 C=CC1=CC=CS1 C10114 [2,0,0,0,0,0|0,1,0]=3 16 B7R1.1 C=CC1=CN=CN1 D82417 [2,0,0,0,0,0|2,0,0]=4 17 B7R1.1 C=CC1=NNC=C1 P13173 [2,0,0,0,0,0|2,0,0]=4 18 B7R1.1 O=CC1=CC=C[Se]1 T72165 [2,0,0,0,0,0|0,1,0]=3 19 B7R1.1 O=CC1=CC=NS1 62852 [2,0,0,0,0,0|1,1,0]=4 20 B7R1.1 O=CC1=CCC=C1 77835 [2,0,0,0,0,0|1,0,1]=4 21 B7R1.1 O=CC1=CCCO1 D79895 [2,0,0,0,0,0|0,0,2]=4 22 B7R1.1 O=CC1=CN=CO1 39069 [2,0,0,0,0,0|1,0,0]=3 23 B7R1.1 O=CC1=NOC=C1 P10400 [2,0,0,0,0,0|2,0,0]=4 24 B9R1.11 O=C(CBr)C1=CC=CO1 D79351 [1,1,0,0,0,0|1,0,1]=4 25 B9R1.11 O=C(CO)C1=CC=CO1 AC4738 [1,1,0,0,0,0|0,0,2]=4 26 B9R1.11 O=CC(=O)C1=CC=CO1 D94856 [1,1,0,0,0,0|0,0,0]=2 27 B9R1.13 CC(=O)CC1=CC=CS1 W16827 [1,1,0,0,0,0|0,1,1]=4 28 B9R1.13 O=C(O)CC1=CC=CN1 29609 [1,1,0,0,0,0|1,0,1]=4 29 B9R1.13 O=C(O)CC1=CC=CO1 W10208 [1,1,0,0,0,0|0,0,1]=3 30 B9R1.13 O=C(O)CC1=CC=NO1 AC1452 [1,1,0,0,0,0|1,0,1]=4 31 B11R1.17 O=C\C=C\C1=C(F)C=CC=C1 24137 [0,1,0,0,0,1|1,0,0]=3 32 B11R1.91 O=C(O)\C=C\C1=NC=CC=N1 P18972 [0,1,0,0,0,1|1,0,0]=3 33 B11R1.91 O=C(O)\C=C\C1=NC=CN=C1 W18616 [0,1,0,0,0,1|1,0,0]=3 34 B11R1.77 N[C@@H](CC(=O)O)C1=CC=CO1 Y11316 [0,2,0,0,0,0|0,0,2]=4 35 B11R1.75 CC1=CC(\C=C\C(=O)O)=NO1 W18280 [0,2,0,0,0,0|2,0,0]=4 36 B11R1.75 CC1=CC=C(CCC(=O)O)O1 W18846 [0,2,0,0,0,0|0,0,2]=4 37 B9R1.2 C=CC1=CC(C)=CC=C1 F16162 [0,0,1,1,0,0|2,0,0]=4 38 B9R1.2 CSC1=CC(O)=CC=C1 W12966 [0,0,1,1,0,0|2,0,0]=4 39 B9R1.2 NC1=CC=CC(C=O)=C1 CK2096 [0,0,1,1,0,0|1,0,0]=3 40 B9R1.2 NC1=CC=CC(C=O)=N1 D70565 [0,0,1,1,0,0|2,0,0]=4 41 B9R1.2 O=CC1=CC=CC(=O)N1 N12900 [0,0,1,1,0,0|1,0,1]=4 42 B9R1.2 O=CC1=C[N+]([O-])=CC=C1 O11007 [0,0,1,1,0,0|1,0,1]=4 43 B9R1.2 O=CC1=NC=CC(O)=C1 W18365 [0,0,1,1,0,0|1,0,0]=3 44 B9R1.2 O=CC1=NC=NC(O)=C1 82364 [0,0,1,1,0,0|2,0,0]=4 45 B9R1.15 C=CC1=C(N)C=CC=C1 25265 [0,0,1,1,0,0|2,0,0]=4 46 B9R1.69 NC1=C(O)C=CC(O)=C1 D82359 [0,0,1,1,0,0|1,0,1]=4 47 B9R1.69 O=C1C=CC(=O)C(Br)=C1 T70875 [0,0,1,1,0,0|1,0,1]=4 48 B9R1.69 OC1=CC(Br)=C(I)C=C1 A11846 [0,0,1,1,0,0|2,0,0]=4 49 B9R1.69 OC1=CC(F)=C(I)C=C1 36664 [0,0,1,1,0,0|2,0,0]=4 50 B9R1.5 NC1=CC=CC=CC1=O F11661 [0,0,1,1,0,0|1,0,0]=3 51 B9R1.1 C=CC1=NC=C(Cl)C=C1 P17531 [0,0,1,1,0,0|2,0,0]=4 52 B9R1.21 O=CC1=CSC(C=O)=C1 O12151 [0,0,1,1,0,0|1,1,0]=4 53 B11R2.1 O=C1C=CC2=C1C=CC=C2 O10409 [0,0,0,1,0,1|1,0,0]=3 54 B11R2.20 C1=CC2=C(C=C1)OCC=C2 N13096 [0,0,0,1,0,1|1,0,0]=3 55 B11R2.20 C1=CC2=CC=NC=C2N=C1 50496 [0,0,0,1,0,1|2,0,0]=4 56 B11R2.20 C1=CC2=CN=CC=C2N=C1 SC3611 [0,0,0,1,0,1|2,0,0]=4 57 B11R2.20 C1=CC=C2N=NC=CC2=C1 76492 [0,0,0,1,0,1|2,0,0]=4 58 B11R2.20 C1=CC=C2N=NC=CC2=C1 Y10640 [0,0,0,1,0,1|2,0,0]=4 59 B11R2.2 C1=CNC(C2=CC=CN2)=C1 A11081 [0,1,0,1,0,0|2,0,0]=4 60 B11R2.2 C1=CSC(C2=CC=NO2)=C1 P10354 [0,1,0,1,0,0|0,1,1]=4 61 B11R2.106 BrC1=C2C=NOC2=CC=C1 27210 [0,1,0,1,0,0|2,0,0]=4 62 B11R2.106 BrC1=C2NC=CC2=NC=C1 73387 [0,1,0,1,0,0|2,0,0]=4 63 B11R2.106 BrC1=C2OC=CC2=CN=C1 F11867 [0,1,0,1,0,0|2,0,0]=4 64 B11R2.106 BrC1=C2ON=CC2=CC=C1 38088 [0,1,0,1,0,0|2,0,0]=4 65 B11R2.106 BrC1=C2SC=CC2=NC=C1 79227 [0,1,0,1,0,0|1,1,0]=4 66 B11R2.106 BrC1=NC=CC2=C1C=CN2 36160 [0,1,0,1,0,0|2,0,0]=4 67 B11R2.106 BrC1=NC=CC2=C1C=CO2 D96576 [0,1,0,1,0,0|1,0,0]=3 68 B11R2.106 CC1=C2CC=CC2=CC=C1 Y10332 [0,1,0,1,0,0|2,0,0]=4 69 B11R2.106 CC1=CC=CC2=C1C=CS2 C72689 [0,1,0,1,0,0|1,1,0]=4 70 B11R2.106 CC1=NC=CC2=C1C=CN2 P11267 [0,1,0,1,0,0|2,0,0]=4 71 B11R2.106 ClC1=C2C=CNC2=CN=C1 37468 [0,1,0,1,0,0|2,0,0]=4 72 B11R2.106 ClC1=C2C=CSC2=NC=C1 C10481 [0,1,0,1,0,0|1,1,0]=4 73 B11R2.106 ClC1=C2CC=CC2=CC=C1 C75442 [0,1,0,1,0,0|2,0,0]=4 74 B11R2.106 ClC1=C2N=COC2=CC=C1 D76689 [0,1,0,1,0,0|2,0,0]=4 75 B11R2.106 ClC1=C2OC=CC2=CC=C1 AC5711 [0,1,0,1,0,0|1,0,0]=3 76 B11R2.106 ClC1=C2OC=CC2=NC=C1 37526 [0,1,0,1,0,0|1,0,0]=3 77 B11R2.106 ClC1=C2SC=CC2=CC=C1 82930 [0,1,0,1,0,0|1,1,0]=4 78 B11R2.106 ClC1=NC=CC2=C1C=CS2 SC1103 [0,1,0,1,0,0|1,1,0]=4 79 B11R2.106 ClC1=NC=CC2=C1OC=C2 37668 [0,1,0,1,0,0|2,0,0]=4 80 B11R2.106 ClC1=NC=NC2=C1C=CO2 52742 [0,1,0,1,0,0|2,0,0]=4 81 B11R2.106 ClC1=NC=NC2=C1OC=C2 80933 [0,1,0,1,0,0|2,0,0]=4 82 B11R2.106 FC1=C2N=COC2=CC=C1 AC4244 [0,1,0,1,0,0|2,0,0]=4 83 B11R2.106 FC1=C2OC=CC2=CC=C1 52893 [0,1,0,1,0,0|1,0,0]=3 84 B11R2.106 FC1=C2SC=CC2=CC=C1 F13949 [0,1,0,1,0,0|1,1,0]=4 85 B11R2.106 FC1=CC=CC2=C1C=CS2 70408 [0,1,0,1,0,0|1,1,0]=4 86 B11R2.106 IC1=C2NC=CC2=CC=C1 94618 [0,1,0,1,0,0|2,0,0]=4 87 B11R2.106 NC1=C2C=CNC2=NC=C1 37228 [0,1,0,1,0,0|2,0,0]=4 88 B11R2.106 NC1=C2C=CNC2=NC=C1 81666 [0,1,0,1,0,0|2,0,0]=4 89 B11R2.106 NC1=C2C=COC2=NC=N1 81210 [0,1,0,1,0,0|2,0,0]=4 90 B11R2.106 NC1=C2NC=CC2=NC=C1 CL3526 [0,1,0,1,0,0|2,0,0]=4 91 B11R2.106 NC1=C2OC=CC2=CC=C1 F20181 [0,1,0,1,0,0|1,0,0]=3 92 B11R2.106 NC1=C2OC=CC2=CC=C1 P16876 [0,1,0,1,0,0|1,0,0]=3 93 B11R2.106 NC1=C2SC=CC2=NC=C1 P10698 [0,1,0,1,0,0|1,1,0]=4 94 B11R2.106 NC1=CC=CC2=C1C=CO2 52950 [0,1,0,1,0,0|1,0,0]=3 95 B11R2.106 NC1=CC=CC2=C1C=CS2 51426 [0,1,0,1,0,0|1,1,0]=4 96 B11R2.106 NC1=CC=CC2=C1C=CS2 Y11369 [0,1,0,1,0,0|1,1,0]=4 97 B11R2.106 NC1=NC=CC2=C1C=CN2 38177 [0,1,0,1,0,0|2,0,0]=4 98 B11R2.106 NC1=NC=CC2=C1C=CO2 92019 [0,1,0,1,0,0|1,0,0]=3 99 B11R2.106 NC1=NC=CC2=C1C=CS2 91588 [0,1,0,1,0,0|1,1,0]=4 100 B11R2.106 O=C1C=CNC2=CC=NN12 35963 [0,1,0,1,0,0|2,0,0]=4 101 B11R2.106 O=C1C=CNN2C=CC=C12 37641 [0,1,0,1,0,0|2,0,0]=4 102 B11R2.106 O=C1NC=CC2=C1C=CN2 35525 [0,1,0,1,0,0|1,0,0]=3 103 B11R2.106 O=C1NC=CC2=C1C=CS2 A10412 [0,1,0,1,0,0|0,1,0]=3 104 B11R2.106 O=C1NC=CC2=C1C=NN2 90736 [0,1,0,1,0,0|2,0,0]=4 105 B11R2.106 O=C1NC=CC2=C1CCO2 D96871 [0,1,0,1,0,0|0,0,2]=4 106 B11R2.106 O=C1NC=CC2=C1NC=C2 69399 [0,1,0,1,0,0|2,0,0]=4 107 B11R2.106 O=C1NC=CC2=C1NC=N2 F17530 [0,1,0,1,0,0|2,0,0]=4 108 B11R2.106 O=C1NC=CC2=C1OC=C2 P10185 [0,1,0,1,0,0|2,0,0]=4 109 B11R2.106 O=C1NC=CC2=C1SC=C2 W10320 [0,1,0,1,0,0|2,0,0]=4 110 B11R2.106 O=C1NC=CN2C=CC=C12 SC2701 [0,1,0,1,0,0|2,0,0]=4 111 B11R2.106 O=C1NC=NC2=C1OC=C2 81211 [0,1,0,1,0,0|2,0,0]=4 112 B11R2.106 OC1=C2C=CNC2=CN=C1 90574 [0,1,0,1,0,0|1,0,1]=4 113 B11R2.106 OC1=C2C=CSC2=NC=C1 C91363 [0,1,0,1,0,0|0,1,1]=4 114 B11R2.106 OC1=C2OC=CC2=CC=C1 70790 [0,1,0,1,0,0|1,0,0]=3 115 B11R2.106 OC1=CC=CC2=C1N=CO2 F17479 [0,1,0,1,0,0|1,0,1]=4 116 B11R2.10 BrC1=CC2=C(C=CC=C2)O1 30106 [0,1,0,1,0,0|1,0,0]=3 117 B11R2.10 CC1=CC2=C(C=CC=C2)O1 F11695 [0,1,0,1,0,0|1,0,0]=3 118 B11R2.10 CC1=CC2=NC=CC=C2N1 27734 [0,1,0,1,0,0|2,0,0]=4 119 B11R2.10 CC1=CN2C=CC=CC2=C1 AC8553 [0,1,0,1,0,0|2,0,0]=4 120 B11R2.10 ClC1=CC2=C(C=CC=C2)N1 F11679 [0,1,0,1,0,0|2,0,0]=4 121 B11R2.10 ClC1=NC2=C(C=CC=N2)O1 C73480 [0,1,0,1,0,0|2,0,0]=4 122 B11R2.10 IC1=CC2=C(C=CC=C2)N1 F18254 [0,1,0,1,0,0|2,0,0]=4 123 B11R2.10 IC1=CC2=C(C=CC=C2)O1 D83864 [0,1,0,1,0,0|1,0,0]=3 124 B11R2.10 IC1=CC2=C(C=CC=C2)S1 F13439 [0,1,0,1,0,0|1,1,0]=4 125 B11R2.10 NC1=CC2=C(C=CC=C2)S1 27373 [0,1,0,1,0,0|1,1,0]=4 126 B11R2.36 BrC1=CC2=C(C=C1)ON=C2 25694 [0,1,0,1,0,0|2,0,0]=4 127 B11R2.36 BrC1=CN=C2OC=CC2=C1 83432 [0,1,0,1,0,0|2,0,0]=4 128 B11R2.36 BrC1=NC2=C(C=C1)OC=N2 AC3911 [0,1,0,1,0,0|2,0,0]=4 129 B11R2.36 CC1=CC2=C(C=C1)SC=C2 F11127 [0,1,0,1,0,0|1,1,0]=4 130 B11R2.36 CC1=CC2=C(C=CS2)C=C1 C73204 [0,1,0,1,0,0|1,1,0]=4 131 B11R2.36 CC1=CN=C2C=CNC2=C1 54346 [0,1,0,1,0,0|2,0,0]=4 132 B11R2.36 CC1=NC2=C(C=C1)NC=C2 82266 [0,1,0,1,0,0|2,0,0]=4 133 B11R2.36 ClC1=CC2=C(C=C1)CC=C2 53583 [0,1,0,1,0,0|2,0,0]=4 134 B11R2.36 ClC1=CC2=C(C=C1)N=CO2 W17078 [0,1,0,1,0,0|2,0,0]=4 135 B11R2.36 ClC1=CC2=C(C=C1)ON=C2 D78570 [0,1,0,1,0,0|2,0,0]=4 136 B11R2.36 ClC1=CC2=C(C=CC2)C=C1 F13902 [0,1,0,1,0,0|2,0,0]=4 137 B11R2.36 ClC1=CN=C2C=CNC2=C1 37163 [0,1,0,1,0,0|2,0,0]=4 138 B11R2.36 ClC1=CN=C2C=COC2=C1 W16842 [0,1,0,1,0,0|1,0,0]=3 139 B11R2.36 ClC1=NC2=C(C=C1)OC=C2 P11783 [0,1,0,1,0,0|1,0,0]=3 140 B11R2.36 ClC1=NC2=C(C=C1)SC=C2 66356 [0,1,0,1,0,0|1,1,0]=4 141 B11R2.36 FC1=CC2=C(C=C1)OC=C2 F30233 [0,1,0,1,0,0|1,0,0]=3 142 B11R2.36 FC1=CC2=C(C=CS2)C=C1 P15213 [0,1,0,1,0,0|1,1,0]=4 143 B11R2.36 FC1=CN=C2C=CNC2=C1 P11534 [0,1,0,1,0,0|2,0,0]=4 144 B11R2.36 IC1=CC2=C(C=C1)ON=C2 C77293 [0,1,0,1,0,0|2,0,0]=4 145 B11R2.36 IC1=CN=C2C=CNC2=C1 P10807 [0,1,0,1,0,0|2,0,0]=4 146 B11R2.36 NC1=CC2=C(C=C1)C=NO2 26398 [0,1,0,1,0,0|2,0,0]=4 147 B11R2.36 NC1=CC2=C(C=CO2)C=C1 D70068 [0,1,0,1,0,0|1,0,0]=3 148 B11R2.36 NC1=CN=C2C=CNC2=C1 P15924 [0,1,0,1,0,0|2,0,0]=4 149 B11R2.36 NC1=NC2=C(C=C1)NC=C2 51576 [0,1,0,1,0,0|2,0,0]=4 150 B11R2.36 O=C1C=CN2N=CC=C2[N-]1 P19271 [0,1,0,1,0,0|2,0,0]=4 151 B11R2.36 OC1=CC2=C(C=C1)C=NO2 24777 [0,1,0,1,0,0|2,0,0]=4 152 B11R2.36 OC1=CC2=C(C=C1)N=CO2 D77541 [0,1,0,1,0,0|2,0,0]=4 153 B11R2.36 OC1=CC2=C(C=C1)OC=N2 AC4843 [0,1,0,1,0,0|1,0,1]=4 154 B11R2.36 OC1=CC2=C(C=C1)SC=C2 59802 [0,1,0,1,0,0|0,1,1]=4 155 B11R2.36 OC1=CC2=C(C=CO2)C=C1 84605 [0,1,0,1,0,0|1,0,0]=3 156 B11R2.36 OC1=NC2=C(C=C1)NC=C2 27719 [0,1,0,1,0,0|1,0,1]=4