0 B9R1.8 CCOC1=CN=NC=C1 C16860 [0,0,0,0,0,0|4,0,0]=4 1 B9R1.8 CNCC1=NC=CN=C1 P10399 [0,0,0,0,0,0|4,0,0]=4 2 B9R1.8 CNCC1=NC=NC=C1 AT18327 [0,0,0,0,0,0|4,0,0]=4 3 B9R1.8 CNCC1=NC=NC=C1 I11999 [0,0,0,0,0,0|4,0,0]=4 4 B9R1.8 CSCC1=CC=CC=C1 D88728 [0,0,0,0,0,0|2,0,0]=2 5 B9R1.8 CSCC1=CN=CC=C1 E72352 [0,0,0,0,0,0|3,0,0]=3 6 B9R1.8 C\C=C/C1=CC=CC=C1 D91456 [0,0,0,0,0,0|1,0,2]=3 7 B9R1.8 C\C=C\C1=CC=CC=C1 H10852 [0,0,0,0,0,0|1,0,2]=3 8 B9R1.8 ClCCC1=NC=CC=C1 D83590 [0,0,0,0,0,0|2,0,0]=2 9 B9R1.8 O\N=C\C1=CC=NC=C1 H10302 [0,0,0,0,0,0|3,0,1]=4 10 B9R1.8 O\N=C\C1=NC=CC=C1 W16238 [0,0,0,0,0,0|3,0,1]=4 11 B8R1.2 BrCC1=NC=CC=C1 D87709 [1,0,0,0,0,0|2,0,0]=3 12 B8R1.2 C#CC1=CC=CC=C1 D90456 [1,0,0,0,0,0|0,0,2]=3 13 B8R1.2 C=CC1=NC=CC=C1 91716 [1,0,0,0,0,0|1,0,2]=4 14 B8R1.2 CCC1=CC=CN=C1 D87724 [1,0,0,0,0,0|1,0,0]=2 15 B8R1.2 CCC1=CC=NC=C1 D90449 [1,0,0,0,0,0|1,0,0]=2 16 B8R1.2 CCC1=NC=CC=C1 AT23190 [1,0,0,0,0,0|1,0,0]=2 17 B8R1.2 COC1=CCC=CC1 78369 [1,0,0,0,0,0|1,0,2]=4 18 B8R1.2 ClCC1=CC=NC=C1 D88171 [1,0,0,0,0,0|2,0,0]=3 19 B8R1.2 ClCC1=CN=CN=C1 P10951 [1,0,0,0,0,0|3,0,0]=4 20 B8R1.2 ICC1=CN=CC=C1 AC6646 [1,0,0,0,0,0|2,0,0]=3 21 B8R1.2 NCC1=CC=CC=C1 T70936 [1,0,0,0,0,0|0,0,0]=1 22 B8R1.2 NCC1=CN=CN=C1 P15266 [1,0,0,0,0,0|2,0,0]=3 23 B8R1.2 NNC1=CC=CC=C1 D91920 [1,0,0,0,0,0|1,0,0]=2 24 B8R1.2 NNC1=CC=NC=C1 76124 [1,0,0,0,0,0|2,0,0]=3 25 B8R1.2 NNC1=CC=NC=C1 W10667 [1,0,0,0,0,0|2,0,0]=3 26 B8R1.2 OCC1=NC=CC=N1 W13843 [1,0,0,0,0,0|3,0,0]=4 27 B10R1.1 C=CCC1=CC=C(C)C=C1 D76863 [0,1,0,0,0,0|1,0,1]=3 28 B10R1.1 CC1=CC=C(SCCl)C=C1 T70798 [0,1,0,0,0,0|2,0,0]=3 29 B10R1.1 CCCC1=CC=C(C)C=C1 D92007 [0,1,0,0,0,0|1,0,0]=2 30 B10R1.1 CCNC1=CC=C(C)C=C1 D90452 [0,1,0,0,0,0|2,0,0]=3 31 B10R1.1 CCNC1=NC=C(Br)C=C1 97201 [0,1,0,0,0,0|3,0,0]=4 32 B10R1.1 CCOC1=CC=C(Cl)C=C1 D89219 [0,1,0,0,0,0|2,0,0]=3 33 B10R1.1 CCOC1=CC=C(S)C=C1 AT20902 [0,1,0,0,0,0|2,0,0]=3 34 B10R1.1 CCOC1=NC=C(F)C=C1 D74953 [0,1,0,0,0,0|3,0,0]=4 35 B10R1.1 CCOC1=NC=C(N)C=C1 O11589 [0,1,0,0,0,0|3,0,0]=4 36 B10R1.1 CNCC1=CC=C(F)C=C1 26027 [0,1,0,0,0,0|2,0,0]=3 37 B10R1.1 ClC1=CC=C(C#CI)C=C1 AT14282 [0,1,0,0,0,0|1,0,2]=4 38 B10R1.1 FC1=CC=C(C#CI)C=C1 AT14285 [0,1,0,0,0,0|1,0,2]=4 39 B10R1.1 FC1=CC=C(CCCl)C=C1 D90675 [0,1,0,0,0,0|1,0,0]=2 40 B10R1.1 N#C[Se]C1=CC=C(Br)C=C1 97866 [0,1,0,0,0,0|1,0,2]=4 41 B10R1.1 NCCC1=CC=C(F)C=C1 D90699 [0,1,0,0,0,0|0,0,0]=1 42 B10R1.1 NCCC1=CC=C(F)C=C1 D90702 [0,1,0,0,0,0|0,0,0]=1 43 B10R1.1 NNCC1=CC=C(Br)C=C1 P10525 [0,1,0,0,0,0|1,0,0]=2 44 B10R1.1 NNCC1=CC=C(Cl)C=C1 D86183 [0,1,0,0,0,0|1,0,0]=2 45 B10R1.1 NNCC1=CC=C(F)C=C1 P10415 [0,1,0,0,0,0|1,0,0]=2 46 B10R1.1 O=C=NC1=CC=C(Br)C=C1 D88673 [0,1,0,0,0,0|2,0,1]=4 47 B10R1.4 C=CCC1=C(C)C=CC=C1 D97323 [0,1,0,0,0,0|1,0,1]=3 48 B10R1.4 C=CCC1=C(N)C=CC=C1 D88543 [0,1,0,0,0,0|1,0,1]=3 49 B10R1.4 CC1=C(N=NN)C=CC=C1 D88287 [0,1,0,0,0,0|2,0,0]=3 50 B10R1.4 CCCC1=C(O)C=CC=C1 D86075 [0,1,0,0,0,0|1,0,0]=2 51 B10R1.4 CCCC1=NC=CN=C1C D91392 [0,1,0,0,0,0|3,0,0]=4 52 B10R1.4 CCOC1=C(Cl)C=CC=C1 D89218 [0,1,0,0,0,0|2,0,0]=3 53 B10R1.4 CCOC1=C(N)C=CC=C1 D91895 [0,1,0,0,0,0|2,0,0]=3 54 B10R1.4 COCC1=C(Br)C=CC=C1 CK2442 [0,1,0,0,0,0|2,0,0]=3 55 B10R1.4 NCCC1=C(N)C=CC=C1 51438 [0,1,0,0,0,0|0,0,0]=1 56 B10R1.4 NCCN1C=CC=CC1=O AT13457 [0,1,0,0,0,0|1,0,0]=2 57 B10R1.4 NOCC1=C(Cl)C=CC=C1 D87707 [0,1,0,0,0,0|1,0,0]=2 58 B10R1.4 N\N=C\C1=C(O)C=CC=C1 F15584 [0,1,0,0,0,0|1,0,1]=3 59 B10R1.4 O=CNC1=C(Br)C=CC=C1 W12508 [0,1,0,0,0,0|2,0,1]=4 60 B10R1.4 OC1=C(CCBr)C=CC=C1 C78317 [0,1,0,0,0,0|1,0,0]=2 61 B10R1.4 O\N=C\C1=C(Cl)C=CC=C1 57820 [0,1,0,0,0,0|2,0,1]=4 62 B10R1.10 CCCC1=CC(C)=CC=C1 D92006 [0,1,0,0,0,0|1,0,0]=2 63 B10R1.10 CCOC1=CC(O)=CC=C1 CK1178 [0,1,0,0,0,0|2,0,0]=3 64 B10R1.10 CCSC1=CC=CC(Br)=C1 AT20878 [0,1,0,0,0,0|2,0,0]=3 65 B10R1.10 CNCC1=CC=CC(Cl)=C1 L10045 [0,1,0,0,0,0|2,0,0]=3 66 B10R1.10 NNCC1=CC=CC(Br)=C1 P10524 [0,1,0,0,0,0|1,0,0]=2 67 B10R1.10 NNCC1=CC=CC(Cl)=C1 74963 [0,1,0,0,0,0|1,0,0]=2 68 B10R1.10 NNCC1=CC=CC(F)=C1 75838 [0,1,0,0,0,0|1,0,0]=2 69 B10R1.10 S=C=NC1=CC=CC(Cl)=C1 H11337 [0,1,0,0,0,0|2,0,1]=4 70 B10R1.15 C=C[C@H](O)C1=CC=CC=C1 AB10386 [0,1,0,0,0,0|1,0,1]=3 71 B10R1.15 CCN(N)C1=CC=CC=C1 F14622 [0,1,0,0,0,0|2,0,0]=3 72 B10R1.15 CC[C@H](C)C1=CC=CC=C1 N11903 [0,1,0,0,0,0|1,0,0]=2 73 B10R1.15 CN[C@@H](C)C1=CC=NC=C1 AT18177 [0,1,0,0,0,0|3,0,0]=4 74 B10R1.15 CN[C@@H](C)C1=NC=CC=C1 F52397 [0,1,0,0,0,0|3,0,0]=4 75 B10R1.15 C[C@@H](CBr)C1=CC=CC=C1 C80054 [0,1,0,0,0,0|1,0,0]=2 76 B10R1.15 C[C@@H](CO)C1=CC=CC=C1 AT25357 [0,1,0,0,0,0|1,0,0]=2 77 B10R1.15 C[C@@H](CO)C1=CC=CC=C1 AT25361 [0,1,0,0,0,0|1,0,0]=2 78 B10R1.15 C\C(=N/N)C1=CC=CC=C1 I11141 [0,1,0,0,0,0|1,0,1]=3 79 B10R1.15 N#C[C@@H](N)C1=CC=CC=C1 N11950 [0,1,0,0,0,0|0,0,2]=3 80 B10R1.15 O=C(CBr)C1=NC=CC=C1 S10662 [0,1,0,0,0,0|2,0,1]=4 81 B10R1.15 O=C(CCl)C1=NC=CC=C1 H11612 [0,1,0,0,0,0|2,0,1]=4 82 B10R1.17 C=CCCC1=CC=CC=C1 D91916 [0,1,0,0,0,0|1,0,0]=2 83 B10R1.17 CCC#CC1=CC=CC=C1 D91952 [0,1,0,0,0,0|1,0,1]=3 84 B10R1.17 COCCC1=NC=CC=C1 D91306 [0,1,0,0,0,0|2,0,0]=3 85 B10R1.17 NCC#CC1=CC=CC=C1 AB10165 [0,1,0,0,0,0|0,0,1]=2 86 B10R1.17 NCCNC1=NC=CC=C1 C78639 [0,1,0,0,0,0|1,0,0]=2 87 B10R1.17 NCCNC1=NC=CC=N1 O12010 [0,1,0,0,0,0|2,0,0]=3 88 B10R1.17 NCCNC1=NC=CN=C1 O12008 [0,1,0,0,0,0|2,0,0]=3 89 B10R1.17 NCCOC1=CN=CC=C1 E71907 [0,1,0,0,0,0|1,0,0]=2 90 B10R1.17 OCCNC1=CC=NC=C1 AT18123 [0,1,0,0,0,0|2,0,0]=3 91 B10R1.17 OC\C=C\C1=CN=CC=C1 AC7736 [0,1,0,0,0,0|2,0,1]=4 92 B10R1.17 OC\C=C\C1=NC=CC=C1 31710 [0,1,0,0,0,0|2,0,1]=4 93 B10R1.18 C[C@H](Br)CC1=CC=CC=C1 75436 [0,1,0,0,0,0|1,0,0]=2 94 B10R1.18 C[C@H](N)CC1=CC=CN=C1 S12145 [0,1,0,0,0,0|1,0,0]=2 95 B10R1.18 O=[N+]([O-])CC1=CC=CC=C1 AT26580 [0,1,0,0,0,0|2,0,0]=3 96 B10R2.7 C1=CC2=C(C=C1)OC=C2 D88596 [0,0,0,1,0,0|1,0,2]=4 97 B10R2.7 C1=CC2=C(C=C1)[S+]=CS2 D88761 [0,0,0,1,0,0|2,0,1]=4 98 B10R2.7 C1=CC2=C(C=N1)CNC2 C15858 [0,0,0,1,0,0|3,0,0]=4 99 B10R2.7 C1=CN=C2NC=NC2=C1 62602 [0,0,0,1,0,0|2,0,1]=4 100 B8R1.8 CCCC1=CC=CO1 D92136 [0,0,0,0,1,0|2,0,0]=3 101 B8R1.8 CCNC1=CC=CS1 23456 [0,0,0,0,1,0|3,0,0]=4 102 B8R1.8 NCCC1=CC=CS1 F14846 [0,0,0,0,1,0|1,0,0]=2 103 B8R1.8 NCCN1C=NC=N1 AC6274 [0,0,0,0,1,0|3,0,0]=4 104 B8R1.8 OCCC1=CNC=N1 37556 [0,0,0,0,1,0|3,0,0]=4 105 B8R1.8 OCCN1C=CC=C1 T72813 [0,0,0,0,1,0|2,0,0]=3 106 B7R1.3 BrC1=CC=NC=C1 D88764 [2,0,0,0,0,0|2,0,0]=4 107 B7R1.3 CC1=CCC=CC1 D91336 [2,0,0,0,0,0|0,0,2]=4 108 B7R1.3 C[N+]1=CC=CC=C1 D91621 [2,0,0,0,0,0|1,0,0]=3 109 B7R1.3 F[N+]1=CC=CC=C1 D90663 [2,0,0,0,0,0|2,0,0]=4 110 B7R1.3 NC1=CC=CN=N1 52242 [2,0,0,0,0,0|2,0,0]=4 111 B7R1.3 NC1=NC=NC=C1 52254 [2,0,0,0,0,0|2,0,0]=4 112 B7R1.3 [Mg+]C1=CC=CC=C1 F20531 [2,0,0,0,0,0|1,0,0]=3 113 B9R1.1 BC1=CC=C(OC)C=C1 F10893 [1,1,0,0,0,0|1,0,0]=3 114 B9R1.1 C=CC1=CC=C(Cl)C=C1 W15543 [1,1,0,0,0,0|0,0,2]=4 115 B9R1.1 CC1=CC=C(CS)C=C1 D91373 [1,1,0,0,0,0|1,0,0]=3 116 B9R1.1 CC1=CC=C(NN)C=C1 W10666 [1,1,0,0,0,0|1,0,0]=3 117 B9R1.1 CCC1=CC=C(S)C=C1 H11883 [1,1,0,0,0,0|0,0,0]=2 118 B9R1.1 CCC1=CN=C(C)C=C1 D88165 [1,1,0,0,0,0|1,0,0]=3 119 B9R1.1 CSC1=CC=C(C)C=C1 D91411 [1,1,0,0,0,0|1,0,0]=3 120 B9R1.1 FC1=CC=C(CS)C=C1 AT13678 [1,1,0,0,0,0|1,0,0]=3 121 B9R1.1 NCC1=CC=C(F)C=C1 D90701 [1,1,0,0,0,0|0,0,0]=2 122 B9R1.1 NCC1=CC=C(O)C=C1 A10196 [1,1,0,0,0,0|0,0,0]=2 123 B9R1.1 NCC1=NC=C(Cl)C=N1 P10947 [1,1,0,0,0,0|2,0,0]=4 124 B9R1.1 NNC1=CC=C(Cl)C=C1 O10106 [1,1,0,0,0,0|1,0,0]=3 125 B9R1.1 SCC1=CC=C(Br)C=C1 A12220 [1,1,0,0,0,0|1,0,0]=3 126 B9R1.2 CC1=CC(CCl)=NC=C1 C15707 [1,1,0,0,0,0|2,0,0]=4 127 B9R1.2 CC1=CC=CC(CS)=C1 AT13701 [1,1,0,0,0,0|1,0,0]=3 128 B9R1.2 CNC1=CC=CC(Br)=N1 AT21378 [1,1,0,0,0,0|2,0,0]=4 129 B9R1.2 COC1=CC(I)=CN=C1 D77741 [1,1,0,0,0,0|2,0,0]=4 130 B9R1.2 COC1=CC(N)=CC=C1 D88266 [1,1,0,0,0,0|1,0,0]=3 131 B9R1.2 COC1=C[N+]([O-])=CC=C1 D87988 [1,1,0,0,0,0|2,0,0]=4 132 B9R1.2 CSC1=CC(Br)=CN=C1 71759 [1,1,0,0,0,0|2,0,0]=4 133 B9R1.2 FC1=CC=CC(CS)=C1 AT13684 [1,1,0,0,0,0|1,0,0]=3 134 B9R1.2 NCC1=CC=CC(F)=N1 24135 [1,1,0,0,0,0|1,0,0]=3 135 B9R1.2 NCC1=CC=C[N+]([O-])=C1 52093 [1,1,0,0,0,0|1,0,0]=3 136 B9R1.2 NNC1=CC(Cl)=NC=C1 W10665 [1,1,0,0,0,0|2,0,0]=4 137 B9R1.2 NNC1=CC(F)=CN=C1 D86941 [1,1,0,0,0,0|2,0,0]=4 138 B9R1.2 NNC1=CC=CC(Cl)=C1 D89224 [1,1,0,0,0,0|1,0,0]=3 139 B9R1.2 OC1=CC=CC(CCl)=C1 D84184 [1,1,0,0,0,0|1,0,0]=3 140 B9R1.2 [C-]#[N+]C1=CC=CC(F)=C1 AC8791 [1,1,0,0,0,0|1,0,1]=4 141 B9R1.6 CN(C)C1=CC=CC=C1 D95371 [1,1,0,0,0,0|1,0,0]=3 142 B9R1.6 CN(C)C1=CC=CN=C1 N12098 [1,1,0,0,0,0|2,0,0]=4 143 B9R1.6 CN(N)C1=CC=CC=C1 Y14873 [1,1,0,0,0,0|1,0,0]=3 144 B9R1.6 CP(C)C1=CC=CC=C1 D90262 [1,1,0,0,0,0|1,0,0]=3 145 B9R1.6 C[C@H](Cl)C1=CC=CC=C1 A10187 [1,1,0,0,0,0|0,0,0]=2 146 B9R1.6 C[C@H](N)C1=NC=CC=C1 90515 [1,1,0,0,0,0|1,0,0]=3 147 B9R1.6 N=C(N)C1=CC=NC=C1 I11702 [1,1,0,0,0,0|1,0,1]=4 148 B9R1.6 O=[Se](O)C1=CC=CC=C1 D88899 [1,1,0,0,0,0|2,0,0]=4 149 B9R1.15 CC1=C(CCl)C=CC=C1 22011 [1,1,0,0,0,0|1,0,0]=3 150 B9R1.15 CC1=C(CN)C=CN=C1 F30519 [1,1,0,0,0,0|1,0,0]=3 151 B9R1.15 CC1=C(CS)C=CC=C1 AT13699 [1,1,0,0,0,0|1,0,0]=3 152 B9R1.15 CCC1=C(N)C=CC=C1 CK1167 [1,1,0,0,0,0|0,0,0]=2 153 B9R1.15 CCC1=C([S-])C=CC=C1 D90553 [1,1,0,0,0,0|0,0,0]=2 154 B9R1.15 CC[N+]1=C(C)C=CC=C1 D90603 [1,1,0,0,0,0|1,0,0]=3 155 B9R1.15 CNC1=C(Br)C=NC=C1 N10505 [1,1,0,0,0,0|2,0,0]=4 156 B9R1.15 COC1=CC=CN=C1I D73279 [1,1,0,0,0,0|2,0,0]=4 157 B9R1.15 CSC1=C(F)C=CC=C1 D90680 [1,1,0,0,0,0|1,0,0]=3 158 B9R1.15 ClC1=C(CBr)C=CC=N1 A10611 [1,1,0,0,0,0|2,0,0]=4 159 B9R1.15 ClCC1=C(Br)C=CC=C1 H11765 [1,1,0,0,0,0|1,0,0]=3 160 B9R1.15 FC1=C(CS)C=CC=C1 AT13683 [1,1,0,0,0,0|1,0,0]=3 161 B9R1.15 FC1=CC=CN=C1CBr P13399 [1,1,0,0,0,0|2,0,0]=4 162 B9R1.15 NCC1=C(O)C=CC=C1 O10497 [1,1,0,0,0,0|0,0,0]=2 163 B9R1.15 NNC1=C(Br)C=CC=C1 C15043 [1,1,0,0,0,0|1,0,0]=3 164 B9R1.15 NNC1=C(Cl)C=CC=C1 78675 [1,1,0,0,0,0|1,0,0]=3 165 B9R1.15 NNC1=C(Cl)C=CC=N1 80866 [1,1,0,0,0,0|2,0,0]=4 166 B9R1.15 OCC1=C(O)C=CC=N1 S12139 [1,1,0,0,0,0|2,0,0]=4 167 B9R1.7 NCCN1C=C(Cl)C=N1 AT16046 [0,1,0,0,1,0|2,0,0]=4 168 B9R1.11 CC[C@H](N)C1=CC=CS1 N12365 [0,1,0,0,1,0|2,0,0]=4 169 B9R1.12 BrCCCN1C=CC=C1 H11736 [0,1,0,0,1,0|2,0,0]=4 170 B9R1.12 CCCCC1=CCC=C1 F14008 [0,1,0,0,1,0|1,0,1]=4 171 B9R1.13 C[C@H](N)CC1=CC=CS1 AT16733 [0,1,0,0,1,0|1,0,0]=3 172 B9R1.13 C[C@H](N)CN1C=CC=N1 AT12541 [0,1,0,0,1,0|2,0,0]=4 173 B9R1.33 CC1=C(CCN)SC=N1 Y11107 [0,1,0,0,1,0|2,0,0]=4 174 B11R1.1 C#CCOC1=CC=C(Br)C=C1 C78146 [0,2,0,0,0,0|1,0,1]=4 175 B11R1.1 C#CCOC1=CC=C(C)C=C1 C78308 [0,2,0,0,0,0|1,0,1]=4 176 B11R1.1 C=CCOC1=CC=C(C)C=C1 H10881 [0,2,0,0,0,0|1,0,1]=4 177 B11R1.1 CC1=CC=C(C#CCO)C=C1 A50686 [0,2,0,0,0,0|1,0,1]=4 178 B11R1.1 CCCOC1=CC=C(N)C=C1 71058 [0,2,0,0,0,0|1,0,0]=3 179 B11R1.1 CCCOC1=NC=C(Br)C=C1 F19674 [0,2,0,0,0,0|2,0,0]=4 180 B11R1.1 CNCCC1=CC=C(Cl)C=C1 29906 [0,2,0,0,0,0|0,0,0]=2 181 B11R1.1 CNCCC1=CC=C(F)C=C1 C15824 [0,2,0,0,0,0|0,0,0]=2 182 B11R1.1 CN\N=N\C1=CC=C(C)C=C1 A12264 [0,2,0,0,0,0|2,0,0]=4 183 B11R1.1 N#CCSC1=CC=C(Cl)C=C1 77531 [0,2,0,0,0,0|0,0,2]=4 184 B11R1.1 NC1=CC=C(CCCO)C=C1 A50572 [0,2,0,0,0,0|1,0,0]=3 185 B11R1.1 NCCCC1=CC=C(Br)C=C1 C78387 [0,2,0,0,0,0|0,0,0]=2 186 B11R1.1 NCCCC1=CC=C(F)C=C1 C77698 [0,2,0,0,0,0|0,0,0]=2 187 B11R1.1 NCCOC1=CC=C(Br)C=C1 C78109 [0,2,0,0,0,0|0,0,0]=2 188 B11R1.1 NCCOC1=CC=C(I)C=C1 C14896 [0,2,0,0,0,0|0,0,0]=2 189 B11R1.1 OCC#CC1=CC=C(Cl)C=C1 A50683 [0,2,0,0,0,0|1,0,1]=4 190 B11R1.1 OCC#CC1=CC=C(F)C=C1 A50677 [0,2,0,0,0,0|1,0,1]=4 191 B11R1.20 CC(=O)CC1=CC=C(O)C=C1 D91021 [0,2,0,0,0,0|1,0,1]=4 192 B11R1.20 CC1=CC=C(CC(=O)Cl)C=C1 AC5981 [0,2,0,0,0,0|1,0,1]=4 193 B11R1.20 CC1=CC=C(OC(F)F)C=C1 F20986 [0,2,0,0,0,0|2,0,0]=4 194 B11R1.20 N=C(N)NC1=CC=C(Br)C=C1 D95501 [0,2,0,0,0,0|1,0,1]=4 195 B11R1.20 NC(=S)CC1=CC=C(Cl)C=C1 A10506 [0,2,0,0,0,0|0,0,1]=3 196 B11R1.20 O=C(Cl)CC1=CC=C(Cl)C=C1 S10930 [0,2,0,0,0,0|1,0,1]=4 197 B11R1.20 O=C(Cl)CC1=CC=C(F)C=C1 28966 [0,2,0,0,0,0|1,0,1]=4 198 B11R1.22 C=C[C@H](O)C1=CC=C(F)C=C1 D87378 [0,2,0,0,0,0|1,0,1]=4 199 B11R1.22 CCN(N)C1=CC=C(C)C=C1 D90542 [0,2,0,0,0,0|2,0,0]=4 200 B11R1.22 CC[C@H](O)C1=CC=C(C)C=C1 N12074 [0,2,0,0,0,0|1,0,0]=3 201 B11R1.22 CC[C@H](O)C1=CC=C(Cl)C=C1 N12135 [0,2,0,0,0,0|1,0,0]=3 202 B11R1.22 CC[C@H](O)C1=CC=C(F)C=C1 N11970 [0,2,0,0,0,0|1,0,0]=3 203 B11R1.22 CN[C@@H](C)C1=CC=C(C)C=C1 N12436 [0,2,0,0,0,0|2,0,0]=4 204 B11R1.22 C[C@H](C#N)C1=CC=C(N)C=C1 C15494 [0,2,0,0,0,0|0,0,2]=4 205 B11R1.22 N#C[C@@H](O)C1=CC=C(O)C=C1 D90902 [0,2,0,0,0,0|0,0,2]=4 206 B11R1.22 NC[C@H](O)C1=CC=C(Br)C=C1 79799 [0,2,0,0,0,0|0,0,0]=2 207 B11R1.22 NC[C@H](O)C1=CC=C(Cl)C=C1 AR2879 [0,2,0,0,0,0|0,0,0]=2 208 B11R1.22 OC[C@H](Cl)C1=CC=C(Cl)C=C1 58244 [0,2,0,0,0,0|1,0,0]=3 209 B11R1.22 O[C@@H](CCl)C1=CC=C(F)C=C1 D97158 [0,2,0,0,0,0|1,0,0]=3 210 B11R1.81 CNCC1=C(C)C=C(C)C=C1 C78452 [0,2,0,0,0,0|2,0,0]=4 211 B11R1.81 CNCC1=C(F)C=C(Br)C=C1 N11594 [0,2,0,0,0,0|2,0,0]=4 212 B11R1.81 FC1=CC(F)=C(CCBr)C=C1 C78053 [0,2,0,0,0,0|1,0,0]=3 213 B11R1.83 CCC1=CC=C(CCN)C=C1 C78380 [0,2,0,0,0,0|0,0,0]=2 214 B11R1.83 CCOC1=CC=C(CBr)C=C1 O10318 [0,2,0,0,0,0|2,0,0]=4 215 B11R1.83 COC1=CC=C(CCN)C=C1 30800 [0,2,0,0,0,0|0,0,0]=2 216 B11R1.83 CSC1=CC=C(CC#N)C=C1 W13500 [0,2,0,0,0,0|0,0,2]=4 217 B11R1.192 CNCC1=CC(Cl)=C(Cl)C=C1 74960 [0,2,0,0,0,0|2,0,0]=4 218 B11R1.192 N#CCC1=CC(Cl)=C(Br)C=C1 F13315 [0,2,0,0,0,0|0,0,2]=4 219 B11R1.192 NCCC1=CC(O)=C(O)C=C1 F21485 [0,2,0,0,0,0|0,0,0]=2 220 B11R1.13 COCC1=CC=CC(Br)=C1C AT26795 [0,2,0,0,0,0|2,0,0]=4 221 B11R1.13 FC1=CC=CC(CCBr)=C1F C77832 [0,2,0,0,0,0|1,0,0]=3 222 B11R1.17 BrCCOC1=C(Br)C=CC=C1 N11524 [0,2,0,0,0,0|1,0,0]=3 223 B11R1.17 C#CCOC1=C(C)C=CC=C1 C78309 [0,2,0,0,0,0|1,0,1]=4 224 B11R1.17 C=CCOC1=C(C)C=CC=C1 D88409 [0,2,0,0,0,0|1,0,1]=4 225 B11R1.17 CC1=C(C#CCO)C=CC=C1 A50684 [0,2,0,0,0,0|1,0,1]=4 226 B11R1.17 CCOCC1=C(Br)C=CC=C1 N10194 [0,2,0,0,0,0|1,0,0]=3 227 B11R1.17 NCCOC1=C(Br)C=CC=C1 C78110 [0,2,0,0,0,0|0,0,0]=2 228 B11R1.17 O=CCCC1=C(Br)C=CC=C1 29935 [0,2,0,0,0,0|1,0,0]=3 229 B11R1.17 OCC#CC1=C(F)C=CC=C1 A50674 [0,2,0,0,0,0|1,0,1]=4 230 B11R1.17 OCCOC1=C(Br)C=CC=C1 N11733 [0,2,0,0,0,0|1,0,0]=3 231 B11R1.41 COC1=C(CC#N)C=CC=C1 D73340 [0,2,0,0,0,0|0,0,2]=4 232 B11R1.86 CC(=O)CC1=C(C)C=CC=C1 N12425 [0,2,0,0,0,0|1,0,1]=4 233 B11R1.86 CN(C)CC1=C(F)C=CC=C1 L10043 [0,2,0,0,0,0|2,0,0]=4 234 B11R1.86 CN(C)CC1=C(N)C=CC=C1 F18327 [0,2,0,0,0,0|2,0,0]=4 235 B11R1.86 CN(C)CC1=C([Pd+2])C=CC=C1 D90232 [0,2,0,0,0,0|2,0,0]=4 236 B11R1.86 N=C(N)NC1=C(F)C=CC=C1 25412 [0,2,0,0,0,0|1,0,1]=4 237 B11R1.86 NC(=O)CC1=C(N)C=CC=C1 D78598 [0,2,0,0,0,0|0,0,1]=3 238 B11R1.86 NC(=O)NC1=C(Br)C=CC=C1 H11652 [0,2,0,0,0,0|1,0,1]=4 239 B11R1.86 O=C(Cl)CC1=C(Cl)C=CC=C1 D97686 [0,2,0,0,0,0|1,0,1]=4 240 B11R1.86 O=C(Cl)CC1=C(F)C=CC=C1 A10511 [0,2,0,0,0,0|1,0,1]=4 241 B11R1.182 CCNC1=C(C)C=CC(O)=C1 D90472 [0,2,0,0,0,0|2,0,0]=4 242 B11R1.182 CCOC1=C(Br)C=CC(N)=C1 76036 [0,2,0,0,0,0|2,0,0]=4 243 B11R1.182 CCOC1=C(N)C=CC(Br)=C1 53625 [0,2,0,0,0,0|2,0,0]=4 244 B11R1.182 FC1=CC(CCBr)=C(F)C=C1 C77865 [0,2,0,0,0,0|1,0,0]=3 245 B11R1.182 N#CCC1=C(Br)C=CC(Br)=C1 CL8957 [0,2,0,0,0,0|0,0,2]=4 246 B11R1.182 NNCC1=C(F)C=CC(F)=C1 D87553 [0,2,0,0,0,0|1,0,0]=3 247 B11R1.222 CCC(=O)C1=C(N)C=CC=C1 F13138 [0,2,0,0,0,0|1,0,1]=4 248 B11R1.222 CCN(N)C1=C(C)C=CC=C1 D90541 [0,2,0,0,0,0|2,0,0]=4 249 B11R1.222 CC[C@H](N)C1=C(F)C=CC=C1 N10822 [0,2,0,0,0,0|1,0,0]=3 250 B11R1.222 CC[C@H](N)C1=NC=CC=C1C F17004 [0,2,0,0,0,0|2,0,0]=4 251 B11R1.222 CC[C@H](O)C1=C(F)C=CC=C1 N11977 [0,2,0,0,0,0|1,0,0]=3 252 B11R1.222 CN[C@@H](C)C1=C(Cl)C=CC=C1 N12587 [0,2,0,0,0,0|2,0,0]=4 253 B11R1.222 CN[C@@H](C)C1=C(F)C=CC=C1 N12344 [0,2,0,0,0,0|2,0,0]=4 254 B11R1.222 NCC(=O)C1=C(Cl)C=CC=C1 C77949 [0,2,0,0,0,0|0,0,1]=3 255 B11R1.222 NCC(=O)C1=C(O)C=CC=C1 C78267 [0,2,0,0,0,0|0,0,1]=3 256 B11R1.605 COCC1=C(Cl)C=CC=C1Cl D89995 [0,2,0,0,0,0|2,0,0]=4 257 B11R1.605 FC1=CC=CC(F)=C1CCBr C77830 [0,2,0,0,0,0|1,0,0]=3 258 B11R1.605 N#CCC1=C(Br)C=CC=C1F 97480 [0,2,0,0,0,0|0,0,2]=4 259 B11R1.605 NCCN1C(=O)C=CNC1=O C15629 [0,2,0,0,0,0|2,0,0]=4 260 B11R1.23 CC[C@H](N)C1=CC=CC(Cl)=C1 N12550 [0,2,0,0,0,0|1,0,0]=3 261 B11R1.23 CC[C@H](N)C1=NC(C)=CC=C1 N10812 [0,2,0,0,0,0|2,0,0]=4 262 B11R1.23 CC[C@H](O)C1=CC=CC(F)=C1 N11963 [0,2,0,0,0,0|1,0,0]=3 263 B11R1.23 CN[C@@H](C)C1=CC=CC(Cl)=C1 N12588 [0,2,0,0,0,0|2,0,0]=4 264 B11R1.23 NCC(=O)C1=CC=CC(Cl)=C1 C78269 [0,2,0,0,0,0|0,0,1]=3 265 B11R1.23 NC[C@H](O)C1=CC=CC(O)=C1 D91696 [0,2,0,0,0,0|0,0,0]=2 266 B11R1.24 C=CCOC1=CC(N)=CC=C1 N12360 [0,2,0,0,0,0|1,0,1]=4 267 B11R1.24 CC1=CC=CC(CCCO)=C1 C12553 [0,2,0,0,0,0|1,0,0]=3 268 B11R1.24 CC1=CC=CC(OCCO)=C1 D90477 [0,2,0,0,0,0|1,0,0]=3 269 B11R1.24 CNCCC1=CC(C)=CC=C1 C77877 [0,2,0,0,0,0|0,0,0]=2 270 B11R1.24 COCOC1=CC=CC(Cl)=C1 AC7215 [0,2,0,0,0,0|2,0,0]=4 271 B11R1.24 NCCCC1=CC=CC(Br)=C1 C77975 [0,2,0,0,0,0|0,0,0]=2 272 B11R1.24 NCCCC1=CC=CC(F)=C1 C77729 [0,2,0,0,0,0|0,0,0]=2 273 B11R1.24 NCCOC1=NC=CC(Cl)=C1 O10440 [0,2,0,0,0,0|1,0,0]=3 274 B11R1.34 N#CCC1=CC(Br)=CC(F)=C1 N10544 [0,2,0,0,0,0|0,0,2]=4 275 B11R1.34 NCCC1=CC(F)=CC(F)=C1 AT21562 [0,2,0,0,0,0|0,0,0]=2 276 B11R1.157 CC(C)SC1=CC=CC(Br)=C1 AT26737 [0,2,0,0,0,0|2,0,0]=4 277 B11R1.157 CC1=CC=CC(NC(N)=S)=C1 S12350 [0,2,0,0,0,0|1,0,1]=4 278 B11R1.157 O=C(Cl)CC1=CC(F)=CC=C1 C13922 [0,2,0,0,0,0|1,0,1]=4 279 B11R1.189 COC1=CC(CCN)=CC=C1 64359 [0,2,0,0,0,0|0,0,0]=2 280 B11R1.12 CCC(CC)C1=CC=NC=C1 D92048 [0,2,0,0,0,0|2,0,0]=4 281 B11R1.12 CCN(CC)C1=CC=CC=C1 D78343 [0,2,0,0,0,0|2,0,0]=4 282 B11R1.12 CCN(CC)C1=CC=CC=C1 F14239 [0,2,0,0,0,0|2,0,0]=4 283 B11R1.12 CC[C@H](NC)C1=CC=CC=C1 T72926 [0,2,0,0,0,0|1,0,0]=3 284 B11R1.12 N#C[C@@H](C=O)C1=CC=CC=C1 82021 [0,2,0,0,0,0|0,0,2]=4 285 B11R1.16 C#CCN(C)C1=CC=CC=C1 E72607 [0,2,0,0,0,0|1,0,1]=4 286 B11R1.16 CCC[C@H](N)C1=CC=CC=C1 Y12255 [0,2,0,0,0,0|1,0,0]=3 287 B11R1.16 CCC[C@H](N)C1=CC=CN=C1 N12309 [0,2,0,0,0,0|2,0,0]=4 288 B11R1.16 CCC[C@H](N)C1=NC=CC=C1 N12437 [0,2,0,0,0,0|2,0,0]=4 289 B11R1.16 CNOC(=O)C1=CC=CC=C1 T70697 [0,2,0,0,0,0|1,0,1]=4 290 B11R1.16 COC[C@H](N)C1=CC=CC=C1 N12470 [0,2,0,0,0,0|1,0,0]=3 291 B11R1.16 COC[C@H](N)C1=CC=CC=C1 W18573 [0,2,0,0,0,0|1,0,0]=3 292 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 F16873 [0,2,0,0,0,0|1,0,0]=3 293 B11R1.36 CC(C)[C@H](N)C1=CC=NC=C1 F30606 [0,2,0,0,0,0|2,0,0]=4 294 B11R1.36 C[C@H](Br)C(=O)C1=CC=CC=C1 F14834 [0,2,0,0,0,0|1,0,1]=4 295 B11R1.36 NC(=O)[C@H](N)C1=CC=CC=C1 A11584 [0,2,0,0,0,0|0,0,1]=3 296 B11R1.36 O=C(O)[C@H](F)C1=CC=CC=C1 22843 [0,2,0,0,0,0|1,0,1]=4 297 B11R1.36 O=C([O-])[C@H](O)C1=CC=CC=C1 D91272 [0,2,0,0,0,0|1,0,1]=4 298 B11R1.28 CCCC#CC1=CC=CC=C1 D73344 [0,2,0,0,0,0|1,0,0]=3 299 B11R1.28 CCCCNC1=CC=CC=C1 D88676 [0,2,0,0,0,0|1,0,0]=3 300 B11R1.28 CNCCOC1=CC=CC=C1 H11358 [0,2,0,0,0,0|0,0,0]=2 301 B11R1.28 ClCCOCC1=CC=CC=C1 N12052 [0,2,0,0,0,0|1,0,0]=3 302 B11R1.28 N#CCCCC1=CC=CC=C1 D92056 [0,2,0,0,0,0|0,0,1]=3 303 B11R1.28 NCCCCC1=CC=CC=C1 D88453 [0,2,0,0,0,0|0,0,0]=2 304 B11R1.28 OCCSCC1=CC=CC=C1 D89046 [0,2,0,0,0,0|1,0,0]=3 305 B11R1.40 CCN(C)CC1=CC=CC=C1 AB10334 [0,2,0,0,0,0|1,0,0]=3 306 B11R1.40 C[C@@H](CN)OC1=CC=CC=C1 77458 [0,2,0,0,0,0|0,0,0]=2 307 B11R1.40 C[C@@H](CO)OC1=CC=CC=C1 98060 [0,2,0,0,0,0|1,0,0]=3 308 B11R1.40 NC[C@@H](O)CC1=CC=CC=C1 AR2912 [0,2,0,0,0,0|0,0,0]=2 309 B11R1.91 C=C(C)OCC1=CC=CC=C1 T70780 [0,2,0,0,0,0|1,0,1]=4 310 B11R1.91 CC(C)=NCC1=CC=CC=C1 92550 [0,2,0,0,0,0|1,0,1]=4 311 B11R1.91 CC(C)CCC1=CC=CC=C1 D91368 [0,2,0,0,0,0|1,0,0]=3 312 B11R1.91 CN(C)CCC1=CC=CC=C1 F12472 [0,2,0,0,0,0|0,0,0]=2 313 B11R1.91 C[C@H](N)CCC1=CC=CC=C1 30788 [0,2,0,0,0,0|0,0,0]=2 314 B11R1.91 C[C@H](N)CCC1=CC=CC=C1 F20201 [0,2,0,0,0,0|0,0,0]=2 315 B11R1.91 C[C@H](O)CCC1=CC=CC=C1 D97163 [0,2,0,0,0,0|1,0,0]=3 316 B11R1.91 C[C@H](O)CCC1=CC=CC=C1 D97164 [0,2,0,0,0,0|1,0,0]=3 317 B11R1.91 N=C(N)COC1=CC=CC=C1 29590 [0,2,0,0,0,0|0,0,1]=3 318 B11R1.91 NC(=O)CSC1=CC=CC=C1 97376 [0,2,0,0,0,0|0,0,1]=3 319 B11R1.91 O=C([O-])COC1=CC=CC=C1 D91898 [0,2,0,0,0,0|1,0,1]=4 320 B11R1.509 CC(C)(C)CC1=CC=CC=C1 D92053 [0,2,0,0,0,0|1,0,0]=3 321 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 D88825 [0,2,0,0,0,0|2,0,0]=4 322 B9R2.50 C1=CC2=C(C=C1)CC2 F15000 [1,0,0,1,0,0|0,0,0]=2 323 B11R2.34 ClC1=CC=C([C@@H]2CO2)C=C1 58242 [0,1,0,1,0,0|1,0,0]=3 324 B11R2.34 FC1=CC=C([C@@H]2CO2)C=C1 V10033 [0,1,0,1,0,0|1,0,0]=3 325 B11R2.36 BrC1=CC2=C(C=C1)NCC2 F13820 [0,1,0,1,0,0|0,0,0]=2 326 B11R2.36 BrC1=CC2=C(C=C1)NN=N2 96158 [0,1,0,1,0,0|2,0,0]=4 327 B11R2.36 ClC1=CC2=C(C=C1)N=CN2 71658 [0,1,0,1,0,0|1,0,1]=4 328 B11R2.36 NC1=CC2=C(C=C1)N=CN2 F11742 [0,1,0,1,0,0|1,0,1]=4 329 B11R2.36 NC1=CC2=C(C=C1)N=NN2 D81725 [0,1,0,1,0,0|2,0,0]=4 330 B11R2.36 O=C1C=CC2=CNNC2=C1 29235 [0,1,0,1,0,0|1,0,1]=4 331 B11R2.36 OC1=CC2=C(C=C1)NCC2 F19200 [0,1,0,1,0,0|0,0,0]=2 332 B11R2.10 NC1CC2=C(C=CC=C2)C1 75403 [0,1,0,1,0,0|0,0,0]=2 333 B11R2.55 BrC1=C(C2CC2)C=CC=C1 C11092 [0,1,0,1,0,0|1,0,0]=3 334 B11R2.106 CC1=C2NCCC2=CC=C1 O11660 [0,1,0,1,0,0|0,0,0]=2 335 B11R2.106 FC1=C2CCNC2=CC=C1 33886 [0,1,0,1,0,0|0,0,0]=2 336 B11R2.106 FC1=C2CNCC2=CC=C1 F14710 [0,1,0,1,0,0|2,0,0]=4 337 B11R2.106 [O-][N+]1=C2CCCC2=CC=C1 85954 [0,1,0,1,0,0|2,0,0]=4 338 B11R2.988 N#C[C@H]1CC2=C1C=CC=C2 67732 [0,1,0,1,0,0|0,0,1]=3 339 B11R2.1 ClC1=NNC2=C1C=CC=C2 H11368 [0,1,0,1,0,0|1,0,1]=4 340 B11R2.1 NN1CCC2=C1C=CC=C2 AC7277 [0,1,0,1,0,0|0,0,0]=2 341 B11R2.1 N[C@H]1CCC2=CC=CN=C21 87181 [0,1,0,1,0,0|1,0,0]=3 342 B11R2.1 N[C@H]1COC2=C1C=CC=C2 N10935 [0,1,0,1,0,0|0,0,0]=2 343 B11R2.1 SC1=CNC2=C1C=CC=C2 H10966 [0,1,0,1,0,0|0,0,2]=4 344 B11R2.40 C[C@@]1(C2=CC=CC=C2)CO1 F52588 [0,1,0,1,0,0|1,0,0]=3 345 B11R2.238 C1=CC=C(C[C@H]2CO2)C=C1 F20875 [0,1,0,1,0,0|1,0,0]=3 346 B7R1.1 CCC1=CC=CN1 D90555 [1,0,0,0,1,0|1,0,0]=3 347 B7R1.1 CCN1C=CC=C1 F17504 [1,0,0,0,1,0|1,0,0]=3 348 B7R1.1 COC1=CC=CO1 F10347 [1,0,0,0,1,0|2,0,0]=4 349 B7R1.1 CSC1=CC=CS1 77890 [1,0,0,0,1,0|2,0,0]=4 350 B7R1.1 NCC1=CC=CO1 AT17186 [1,0,0,0,1,0|1,0,0]=3 351 B7R1.1 NCC1=CC=NN1 70944 [1,0,0,0,1,0|2,0,0]=4 352 B7R1.1 NCC1=CSC=N1 30352 [1,0,0,0,1,0|2,0,0]=4 353 B7R1.1 NCC1=NNC=C1 39435 [1,0,0,0,1,0|2,0,0]=4 354 B7R1.1 NCC1=NNC=C1 W13339 [1,0,0,0,1,0|2,0,0]=4 355 B7R1.1 NCC1=NOC=C1 38445 [1,0,0,0,1,0|2,0,0]=4