0 B10R1.10 CCCC1=CC(C)=CC=C1 D92006 [0,0,0,0,0,0|2,0,0]=2 1 B10R1.10 CCOC1=CC(O)=CC=C1 CK1178 [0,0,0,0,0,0|2,0,0]=2 2 B10R1.10 CCSC1=CC=CC(Br)=C1 AT20878 [0,0,0,0,0,0|3,0,0]=3 3 B10R1.10 CNCC1=CC=CC(Cl)=C1 L10045 [0,0,0,0,0,0|3,0,0]=3 4 B10R1.10 NNCC1=CC=CC(Br)=C1 P10524 [0,0,0,0,0,0|2,0,0]=2 5 B10R1.10 NNCC1=CC=CC(Cl)=C1 74963 [0,0,0,0,0,0|2,0,0]=2 6 B10R1.10 NNCC1=CC=CC(F)=C1 75838 [0,0,0,0,0,0|2,0,0]=2 7 B10R1.10 S=C=NC1=CC=CC(Cl)=C1 H11337 [0,0,0,0,0,0|3,0,1]=4 8 B9R1.2 CC1=CC(CCl)=NC=C1 C15707 [1,0,0,0,0,0|3,0,0]=4 9 B9R1.2 CC1=CC=CC(CS)=C1 AT13701 [1,0,0,0,0,0|2,0,0]=3 10 B9R1.2 CNC1=CC=CC(Br)=N1 AT21378 [1,0,0,0,0,0|3,0,0]=4 11 B9R1.2 COC1=CC(I)=CN=C1 D77741 [1,0,0,0,0,0|3,0,0]=4 12 B9R1.2 COC1=CC(N)=CC=C1 D88266 [1,0,0,0,0,0|2,0,0]=3 13 B9R1.2 COC1=C[N+]([O-])=CC=C1 D87988 [1,0,0,0,0,0|2,0,1]=4 14 B9R1.2 CSC1=CC(Br)=CN=C1 71759 [1,0,0,0,0,0|3,0,0]=4 15 B9R1.2 FC1=CC=CC(CS)=C1 AT13684 [1,0,0,0,0,0|2,0,0]=3 16 B9R1.2 NCC1=CC=CC(F)=N1 24135 [1,0,0,0,0,0|2,0,0]=3 17 B9R1.2 NCC1=CC=C[N+]([O-])=C1 52093 [1,0,0,0,0,0|1,0,1]=3 18 B9R1.2 NNC1=CC(Cl)=NC=C1 W10665 [1,0,0,0,0,0|3,0,0]=4 19 B9R1.2 NNC1=CC(F)=CN=C1 D86941 [1,0,0,0,0,0|3,0,0]=4 20 B9R1.2 NNC1=CC=CC(Cl)=C1 D89224 [1,0,0,0,0,0|2,0,0]=3 21 B9R1.2 OC1=CC=CC(CCl)=C1 D84184 [1,0,0,0,0,0|1,0,0]=2 22 B9R1.2 [C-]#[N+]C1=CC=CC(F)=C1 AC8791 [1,0,0,0,0,0|2,0,1]=4 23 B9R1.8 CSCC1=CC=CC=C1 D88728 [1,0,0,0,0,0|2,0,0]=3 24 B9R1.8 CSCC1=CN=CC=C1 E72352 [1,0,0,0,0,0|3,0,0]=4 25 B9R1.8 C\C=C/C1=CC=CC=C1 D91456 [1,0,0,0,0,0|1,0,2]=4 26 B9R1.8 C\C=C\C1=CC=CC=C1 H10852 [1,0,0,0,0,0|1,0,2]=4 27 B9R1.8 ClCCC1=NC=CC=C1 D83590 [1,0,0,0,0,0|2,0,0]=3 28 B11R1.13 COCC1=CC=CC(Br)=C1C AT26795 [0,1,0,0,0,0|3,0,0]=4 29 B11R1.13 FC1=CC=CC(CCBr)=C1F C77832 [0,1,0,0,0,0|2,0,0]=3 30 B11R1.23 CC[C@H](N)C1=CC=CC(Cl)=C1 N12550 [0,1,0,0,0,0|2,0,0]=3 31 B11R1.23 CC[C@H](N)C1=NC(C)=CC=C1 N10812 [0,1,0,0,0,0|3,0,0]=4 32 B11R1.23 CC[C@H](O)C1=CC=CC(F)=C1 N11963 [0,1,0,0,0,0|2,0,0]=3 33 B11R1.23 CN[C@@H](C)C1=CC=CC(Cl)=C1 N12588 [0,1,0,0,0,0|3,0,0]=4 34 B11R1.23 NCC(=O)C1=CC=CC(Cl)=C1 C78269 [0,1,0,0,0,0|1,0,1]=3 35 B11R1.23 NC[C@H](O)C1=CC=CC(O)=C1 D91696 [0,1,0,0,0,0|0,0,0]=1 36 B11R1.24 C=CCOC1=CC(N)=CC=C1 N12360 [0,1,0,0,0,0|2,0,1]=4 37 B11R1.24 CC1=CC=CC(CCCO)=C1 C12553 [0,1,0,0,0,0|2,0,0]=3 38 B11R1.24 CC1=CC=CC(OCCO)=C1 D90477 [0,1,0,0,0,0|2,0,0]=3 39 B11R1.24 CNCCC1=CC(C)=CC=C1 C77877 [0,1,0,0,0,0|1,0,0]=2 40 B11R1.24 COCOC1=CC=CC(Cl)=C1 AC7215 [0,1,0,0,0,0|3,0,0]=4 41 B11R1.24 NCCCC1=CC=CC(Br)=C1 C77975 [0,1,0,0,0,0|1,0,0]=2 42 B11R1.24 NCCCC1=CC=CC(F)=C1 C77729 [0,1,0,0,0,0|1,0,0]=2 43 B11R1.24 NCCOC1=NC=CC(Cl)=C1 O10440 [0,1,0,0,0,0|2,0,0]=3 44 B11R1.34 N#CCC1=CC(Br)=CC(F)=C1 N10544 [0,1,0,0,0,0|1,0,2]=4 45 B11R1.34 NCCC1=CC(F)=CC(F)=C1 AT21562 [0,1,0,0,0,0|1,0,0]=2 46 B11R1.157 CC(C)SC1=CC=CC(Br)=C1 AT26737 [0,1,0,0,0,0|3,0,0]=4 47 B11R1.157 CC1=CC=CC(NC(N)=S)=C1 S12350 [0,1,0,0,0,0|2,0,1]=4 48 B11R1.157 O=C(Cl)CC1=CC(F)=CC=C1 C13922 [0,1,0,0,0,0|2,0,1]=4 49 B11R1.182 CCNC1=C(C)C=CC(O)=C1 D90472 [0,1,0,0,0,0|2,0,0]=3 50 B11R1.182 CCOC1=C(Br)C=CC(N)=C1 76036 [0,1,0,0,0,0|3,0,0]=4 51 B11R1.182 CCOC1=C(N)C=CC(Br)=C1 53625 [0,1,0,0,0,0|3,0,0]=4 52 B11R1.182 FC1=CC(CCBr)=C(F)C=C1 C77865 [0,1,0,0,0,0|2,0,0]=3 53 B11R1.182 N#CCC1=C(Br)C=CC(Br)=C1 CL8957 [0,1,0,0,0,0|1,0,2]=4 54 B11R1.182 NNCC1=C(F)C=CC(F)=C1 D87553 [0,1,0,0,0,0|2,0,0]=3 55 B11R1.189 COC1=CC(CCN)=CC=C1 64359 [0,1,0,0,0,0|0,0,0]=1 56 B11R1.189 COC1=CC=CC(N=C=O)=C1 D91179 [0,1,0,0,0,0|2,0,1]=4 57 B11R1.192 CNCC1=CC(Cl)=C(Cl)C=C1 74960 [0,1,0,0,0,0|3,0,0]=4 58 B11R1.192 N#CCC1=CC(Cl)=C(Br)C=C1 F13315 [0,1,0,0,0,0|1,0,2]=4 59 B11R1.192 NCCC1=CC(O)=C(O)C=C1 F21485 [0,1,0,0,0,0|0,0,0]=1 60 B11R2.36 BrC1=CC2=C(C=C1)NCC2 F13820 [0,0,0,1,0,0|1,0,0]=2 61 B11R2.36 BrC1=CC2=C(C=C1)NN=N2 96158 [0,0,0,1,0,0|3,0,0]=4 62 B11R2.36 OC1=CC2=C(C=C1)NCC2 F19200 [0,0,0,1,0,0|0,0,0]=1 63 B11R2.106 CC1=C2NCCC2=CC=C1 O11660 [0,0,0,1,0,0|1,0,0]=2 64 B11R2.106 FC1=C2CCNC2=CC=C1 33886 [0,0,0,1,0,0|3,0,0]=4 65 B11R2.106 FC1=C2CNCC2=CC=C1 F14710 [0,0,0,1,0,0|3,0,0]=4 66 B11R2.106 [O-][N+]1=C2CCCC2=CC=C1 85954 [0,0,0,1,0,0|2,0,1]=4 67 B9R1.7 NCCN1C=C(Cl)C=N1 AT16046 [0,0,0,0,1,0|3,0,0]=4 68 B9R1.33 CC1=C(CCN)SC=N1 Y11107 [0,0,0,0,1,0|3,0,0]=4 69 B8R1.2 BrCC1=NC=CC=C1 D87709 [2,0,0,0,0,0|2,0,0]=4 70 B8R1.2 C#CC1=CC=CC=C1 D90456 [2,0,0,0,0,0|0,0,2]=4 71 B8R1.2 CCC1=CC=CN=C1 D87724 [2,0,0,0,0,0|1,0,0]=3 72 B8R1.2 CCC1=CC=NC=C1 D90449 [2,0,0,0,0,0|1,0,0]=3 73 B8R1.2 CCC1=NC=CC=C1 AT23190 [2,0,0,0,0,0|1,0,0]=3 74 B8R1.2 ClCC1=CC=NC=C1 D88171 [2,0,0,0,0,0|2,0,0]=4 75 B8R1.2 ICC1=CN=CC=C1 AC6646 [2,0,0,0,0,0|2,0,0]=4 76 B8R1.2 NCC1=CC=CC=C1 T70936 [2,0,0,0,0,0|0,0,0]=2 77 B8R1.2 NCC1=CN=CN=C1 P15266 [2,0,0,0,0,0|2,0,0]=4 78 B8R1.2 NNC1=CC=CC=C1 D91920 [2,0,0,0,0,0|1,0,0]=3 79 B8R1.2 NNC1=CC=NC=C1 76124 [2,0,0,0,0,0|2,0,0]=4 80 B8R1.2 NNC1=CC=NC=C1 W10667 [2,0,0,0,0,0|2,0,0]=4 81 B8R1.4 CC1=CC(O)=NN=C1 S10201 [2,0,0,0,0,0|2,0,0]=4 82 B8R1.4 CC1=CC=CC([Mg+])=C1 D87849 [2,0,0,0,0,0|1,0,0]=3 83 B8R1.4 CC1=CC=NC(O)=N1 35313 [2,0,0,0,0,0|2,0,0]=4 84 B8R1.4 CC1=CC=NC(O)=N1 W10295 [2,0,0,0,0,0|2,0,0]=4 85 B8R1.4 C[N+]1=CC=CC(Br)=C1 S12022 [2,0,0,0,0,0|2,0,0]=4 86 B8R1.4 FC1=CC=CC(Cl)=C1 36905 [2,0,0,0,0,0|2,0,0]=4 87 B8R1.4 NC1=CC(O)=NC=N1 30819 [2,0,0,0,0,0|2,0,0]=4 88 B8R1.4 NC1=CC=CC(Br)=C1 D78531 [2,0,0,0,0,0|1,0,0]=3 89 B8R1.4 OC1=CC(O)=NC=C1 78320 [2,0,0,0,0,0|2,0,0]=4 90 B10R1.2 CC1=C(Cl)C=CC=C1CN Y11684 [1,1,0,0,0,0|1,0,0]=3 91 B10R1.2 CC1=CC=CC(CBr)=C1Br CL9684 [1,1,0,0,0,0|2,0,0]=4 92 B10R1.2 COC1=CC=CC(F)=C1N C90359 [1,1,0,0,0,0|2,0,0]=4 93 B10R1.2 COC1=CC=CC(F)=C1N C90671 [1,1,0,0,0,0|2,0,0]=4 94 B10R1.2 CSC1=CC=CC(Br)=C1F I12069 [1,1,0,0,0,0|2,0,0]=4 95 B10R1.2 NCC1=CC=CC(Br)=C1N D82851 [1,1,0,0,0,0|1,0,0]=3 96 B10R1.2 NNC1=CC=CC(Cl)=C1Br 97501 [1,1,0,0,0,0|2,0,0]=4 97 B10R1.8 CC1=CC(Br)=CC(CBr)=C1 52072 [1,1,0,0,0,0|2,0,0]=4 98 B10R1.8 CC1=CC(C)=CC(CN)=C1 A10199 [1,1,0,0,0,0|1,0,0]=3 99 B10R1.8 CC1=CC(F)=CC(CN)=C1 F20913 [1,1,0,0,0,0|1,0,0]=3 100 B10R1.8 FC1=CC(CCl)=CC(Br)=C1 CK2025 [1,1,0,0,0,0|2,0,0]=4 101 B10R1.8 N#CC1=CC(O)=CC(O)=C1 H10611 [1,1,0,0,0,0|0,0,2]=4 102 B10R1.8 NCC1=CC(Br)=CC(F)=C1 N12091 [1,1,0,0,0,0|1,0,0]=3 103 B10R1.8 NNC1=CC(Cl)=CC(Cl)=C1 F19538 [1,1,0,0,0,0|2,0,0]=4 104 B10R1.30 CC1=CC(CN)=C(Cl)C=C1 W13487 [1,1,0,0,0,0|1,0,0]=3 105 B10R1.30 CC1=CC(CO)=C(C)C=C1 A11027 [1,1,0,0,0,0|2,0,0]=4 106 B10R1.30 CC1=CC(CO)=C(F)C=C1 CK2472 [1,1,0,0,0,0|2,0,0]=4 107 B10R1.30 COC1=C(F)C=CC(C)=C1 22298 [1,1,0,0,0,0|2,0,0]=4 108 B10R1.30 COC1=C(F)C=CC(N)=C1 AT11971 [1,1,0,0,0,0|2,0,0]=4 109 B10R1.30 CSC1=C(Br)C=CC(F)=C1 D74569 [1,1,0,0,0,0|2,0,0]=4 110 B10R1.30 ClC1=C(CBr)C=C(I)C=C1 35534 [1,1,0,0,0,0|2,0,0]=4 111 B10R1.30 NC1=C(CO)C=C(I)C=C1 AC6308 [1,1,0,0,0,0|2,0,0]=4 112 B10R1.30 NCC1=C(O)C=CC(Cl)=C1 C90472 [1,1,0,0,0,0|1,0,0]=3 113 B10R1.30 OCC1=C(F)C=CC(Cl)=C1 CK2452 [1,1,0,0,0,0|2,0,0]=4 114 B10R1.30 OCC1=C(O)C=CC(Cl)=C1 E72725 [1,1,0,0,0,0|2,0,0]=4 115 B10R1.113 C=C(C)C1=CC=CC(I)=C1 D86695 [1,1,0,0,0,0|1,0,1]=4 116 B10R1.113 CC(C)C1=CC=CC(O)=C1 D87686 [1,1,0,0,0,0|0,0,0]=2 117 B10R1.113 CC1=CC=CC(C(=N)N)=C1 I11458 [1,1,0,0,0,0|1,0,1]=4 118 B10R1.113 CC1=CC=CC(N(C)N)=C1 T72879 [1,1,0,0,0,0|2,0,0]=4 119 B10R1.113 CN(C)C1=CC(N)=CC=C1 D84323 [1,1,0,0,0,0|2,0,0]=4 120 B10R1.113 C[S@](=O)C1=CC=CC(Br)=C1 C91518 [1,1,0,0,0,0|2,0,0]=4 121 B10R1.113 FC1=CC(C(F)F)=CC=C1 34821 [1,1,0,0,0,0|2,0,0]=4 122 B10R1.113 FC1=CC=CC(C(Br)Br)=C1 D90657 [1,1,0,0,0,0|2,0,0]=4 123 B10R1.113 N=C(N)C1=CC(N)=CC=C1 F13532 [1,1,0,0,0,0|1,0,1]=4 124 B10R1.113 N=C(N)C1=CC(N)=CC=C1 H11407 [1,1,0,0,0,0|1,0,1]=4 125 B10R1.113 N=C(N)C1=CC=CC(Cl)=C1 D87873 [1,1,0,0,0,0|1,0,1]=4 126 B10R1.113 NC(=S)C1=CC(F)=CC=C1 W12701 [1,1,0,0,0,0|1,0,1]=4 127 B10R1.113 NC(=S)C1=CC(O)=CC=C1 A10505 [1,1,0,0,0,0|0,0,1]=3 128 B10R1.113 NC(=S)C1=CC=CC(Br)=C1 A10478 [1,1,0,0,0,0|1,0,1]=4 129 B10R1.113 O=C([O-])C1=CC(O)=CC=C1 D90821 [1,1,0,0,0,0|1,0,1]=4 130 B10R1.172 C=CC1=CC=CC(OC)=C1 75906 [1,1,0,0,0,0|0,0,2]=4 131 B10R1.172 CCC1=CC=CC(CC)=C1 A10815 [1,1,0,0,0,0|1,0,0]=3 132 B10R1.172 CCC1=NC=CC(C#N)=C1 CL0111 [1,1,0,0,0,0|2,0,0]=4 133 B10R1.176 CCC1=CC(O)=C(N)C=C1 D82162 [1,1,0,0,0,0|0,0,0]=2 134 B10R1.176 CN1C=CC(CN)=CC1=O P11874 [1,1,0,0,0,0|1,0,1]=4 135 B10R1.176 COC1=CC(Br)=C(N)C=C1 F20764 [1,1,0,0,0,0|2,0,0]=4 136 B10R1.176 COC1=CC(F)=C(N)C=C1 75541 [1,1,0,0,0,0|2,0,0]=4 137 B10R1.176 COC1=CC(I)=C(N)C=C1 D87380 [1,1,0,0,0,0|2,0,0]=4 138 B10R1.176 CSC1=CC(F)=C(Br)C=C1 A10661 [1,1,0,0,0,0|2,0,0]=4 139 B10R1.176 ClC1=C(Br)C=C(CBr)C=C1 D95462 [1,1,0,0,0,0|2,0,0]=4 140 B10R1.176 ClCC1=CC(Cl)=C(Cl)C=C1 75667 [1,1,0,0,0,0|2,0,0]=4 141 B10R1.176 NCC1=CC(F)=C(Cl)C=C1 N12136 [1,1,0,0,0,0|1,0,0]=3 142 B10R1.176 NNC1=CC(Cl)=C(F)C=C1 75787 [1,1,0,0,0,0|2,0,0]=4 143 B10R1.176 NNC1=CC(F)=C(F)C=C1 F12482 [1,1,0,0,0,0|2,0,0]=4 144 B10R1.1 C=CCC1=CC=C(C)C=C1 D76863 [1,1,0,0,0,0|1,0,1]=4 145 B10R1.1 CC1=CC=C(SCCl)C=C1 T70798 [1,1,0,0,0,0|2,0,0]=4 146 B10R1.1 CCCC1=CC=C(C)C=C1 D92007 [1,1,0,0,0,0|1,0,0]=3 147 B10R1.1 CCNC1=CC=C(C)C=C1 D90452 [1,1,0,0,0,0|2,0,0]=4 148 B10R1.1 CCOC1=CC=C(Cl)C=C1 D89219 [1,1,0,0,0,0|2,0,0]=4 149 B10R1.1 CCOC1=CC=C(S)C=C1 AT20902 [1,1,0,0,0,0|2,0,0]=4 150 B10R1.1 CNCC1=CC=C(F)C=C1 26027 [1,1,0,0,0,0|2,0,0]=4 151 B10R1.1 FC1=CC=C(CCCl)C=C1 D90675 [1,1,0,0,0,0|1,0,0]=3 152 B10R1.1 NCCC1=CC=C(F)C=C1 D90699 [1,1,0,0,0,0|0,0,0]=2 153 B10R1.1 NCCC1=CC=C(F)C=C1 D90702 [1,1,0,0,0,0|0,0,0]=2 154 B10R1.1 NNCC1=CC=C(Br)C=C1 P10525 [1,1,0,0,0,0|1,0,0]=3 155 B10R1.1 NNCC1=CC=C(Cl)C=C1 D86183 [1,1,0,0,0,0|1,0,0]=3 156 B10R1.1 NNCC1=CC=C(F)C=C1 P10415 [1,1,0,0,0,0|1,0,0]=3 157 B10R1.4 C=CCC1=C(C)C=CC=C1 D97323 [1,1,0,0,0,0|1,0,1]=4 158 B10R1.4 C=CCC1=C(N)C=CC=C1 D88543 [1,1,0,0,0,0|1,0,1]=4 159 B10R1.4 CC1=C(N=NN)C=CC=C1 D88287 [1,1,0,0,0,0|2,0,0]=4 160 B10R1.4 CCCC1=C(O)C=CC=C1 D86075 [1,1,0,0,0,0|1,0,0]=3 161 B10R1.4 CCOC1=C(Cl)C=CC=C1 D89218 [1,1,0,0,0,0|2,0,0]=4 162 B10R1.4 CCOC1=C(N)C=CC=C1 D91895 [1,1,0,0,0,0|2,0,0]=4 163 B10R1.4 COCC1=C(Br)C=CC=C1 CK2442 [1,1,0,0,0,0|2,0,0]=4 164 B10R1.4 NCCC1=C(N)C=CC=C1 51438 [1,1,0,0,0,0|0,0,0]=2 165 B10R1.4 NCCN1C=CC=CC1=O AT13457 [1,1,0,0,0,0|1,0,0]=3 166 B10R1.4 NOCC1=C(Cl)C=CC=C1 D87707 [1,1,0,0,0,0|1,0,0]=3 167 B10R1.4 N\N=C\C1=C(O)C=CC=C1 F15584 [1,1,0,0,0,0|1,0,1]=4 168 B10R1.4 OC1=C(CCBr)C=CC=C1 C78317 [1,1,0,0,0,0|1,0,0]=3 169 B10R1.15 C=C[C@H](O)C1=CC=CC=C1 AB10386 [1,1,0,0,0,0|1,0,1]=4 170 B10R1.15 CCN(N)C1=CC=CC=C1 F14622 [1,1,0,0,0,0|2,0,0]=4 171 B10R1.15 CC[C@H](C)C1=CC=CC=C1 N11903 [1,1,0,0,0,0|1,0,0]=3 172 B10R1.15 C[C@@H](CBr)C1=CC=CC=C1 C80054 [1,1,0,0,0,0|1,0,0]=3 173 B10R1.15 C[C@@H](CO)C1=CC=CC=C1 AT25357 [1,1,0,0,0,0|1,0,0]=3 174 B10R1.15 C[C@@H](CO)C1=CC=CC=C1 AT25361 [1,1,0,0,0,0|1,0,0]=3 175 B10R1.15 C\C(=N/N)C1=CC=CC=C1 I11141 [1,1,0,0,0,0|1,0,1]=4 176 B10R1.15 N#C[C@@H](N)C1=CC=CC=C1 N11950 [1,1,0,0,0,0|0,0,2]=4 177 B10R1.17 C=CCCC1=CC=CC=C1 D91916 [1,1,0,0,0,0|1,0,0]=3 178 B10R1.17 CCC#CC1=CC=CC=C1 D91952 [1,1,0,0,0,0|1,0,1]=4 179 B10R1.17 COCCC1=NC=CC=C1 D91306 [1,1,0,0,0,0|2,0,0]=4 180 B10R1.17 NCC#CC1=CC=CC=C1 AB10165 [1,1,0,0,0,0|0,0,1]=3 181 B10R1.17 NCCNC1=NC=CC=C1 C78639 [1,1,0,0,0,0|1,0,0]=3 182 B10R1.17 NCCNC1=NC=CC=N1 O12010 [1,1,0,0,0,0|2,0,0]=4 183 B10R1.17 NCCNC1=NC=CN=C1 O12008 [1,1,0,0,0,0|2,0,0]=4 184 B10R1.17 NCCOC1=CN=CC=C1 E71907 [1,1,0,0,0,0|1,0,0]=3 185 B10R1.17 OCCNC1=CC=NC=C1 AT18123 [1,1,0,0,0,0|2,0,0]=4 186 B10R1.18 C[C@H](Br)CC1=CC=CC=C1 75436 [1,1,0,0,0,0|1,0,0]=3 187 B10R1.18 C[C@H](N)CC1=CC=CN=C1 S12145 [1,1,0,0,0,0|1,0,0]=3 188 B10R1.18 O=[N+]([O-])CC1=CC=CC=C1 AT26580 [1,1,0,0,0,0|2,0,0]=4 189 B12R1.280 COC1=C(C)C(CC#N)=CC=C1 C90933 [0,2,0,0,0,0|0,0,2]=4 190 B12R1.17 CNCC(=O)C1=CC(O)=CC=C1 D87530 [0,2,0,0,0,0|0,0,1]=3 191 B12R1.17 CNC[C@H](O)C1=CC=CC(O)=C1 D91959 [0,2,0,0,0,0|0,0,0]=2 192 B12R1.17 NC1=CC=CC([C@@H](N)CCO)=C1 51809 [0,2,0,0,0,0|2,0,0]=4 193 B12R1.17 N[C@@H](CCO)C1=CC=CC(Cl)=C1 Y11743 [0,2,0,0,0,0|2,0,0]=4 194 B12R1.225 N[C@@H](C(=O)O)C1=CC(O)=CC=C1 A50297 [0,2,0,0,0,0|1,0,1]=4 195 B12R1.225 N[C@@H](C(=O)O)C1=CC(O)=CC=C1 A50298 [0,2,0,0,0,0|1,0,1]=4 196 B12R1.225 N[C@@H](C(=O)O)C1=CC(O)=CC=C1 A50299 [0,2,0,0,0,0|1,0,1]=4 197 B12R1.354 CC[C@H](N)C1=C(Br)C=CC(Cl)=C1 C91967 [0,2,0,0,0,0|2,0,0]=4 198 B12R1.367 CC[C@H](N)C1=CC(C)=C(C)C=C1 N10936 [0,2,0,0,0,0|2,0,0]=4 199 B12R1.367 NCC(=O)C1=CC(Cl)=C(Cl)C=C1 93654 [0,2,0,0,0,0|1,0,1]=4 200 B12R1.367 NC[C@H](O)C1=CC(O)=C(O)C=C1 A12631 [0,2,0,0,0,0|0,0,0]=2 201 B12R1.367 O[C@@H](CCl)C1=CC(Cl)=C(Cl)C=C1 D97157 [0,2,0,0,0,0|2,0,0]=4 202 B12R1.435 C=C[C@H](O)C1=CC=CC(OC)=C1 D84378 [0,2,0,0,0,0|1,0,1]=4 203 B12R1.435 CN[C@@H](C)C1=CC=CC(OC)=C1 N11999 [0,2,0,0,0,0|2,0,0]=4 204 B12R1.28 COCCOC1=CC(N)=CC=C1 C14172 [0,2,0,0,0,0|2,0,0]=4 205 B12R1.28 OCCCOC1=CC=CC(F)=C1 AC7865 [0,2,0,0,0,0|2,0,0]=4 206 B12R1.28 S=C=NCCC1=CC=CC(Cl)=C1 A10413 [0,2,0,0,0,0|1,0,1]=4 207 B12R1.100 CC1=CC(C)=CC(OCCBr)=C1 77546 [0,2,0,0,0,0|2,0,0]=4 208 B12R1.226 CC1=CC=CC(OCC(N)=O)=C1 D91460 [0,2,0,0,0,0|1,0,1]=4 209 B12R1.226 CC1=CC=CC(OC[C@H](C)O)=C1 D91439 [0,2,0,0,0,0|2,0,0]=4 210 B12R1.226 O=C(O)CCC1=CC=CC(I)=C1 I11536 [0,2,0,0,0,0|2,0,0]=4 211 B12R1.382 C#CCOC1=CC(OC)=CC=C1 C78211 [0,2,0,0,0,0|1,0,1]=4 212 B12R1.382 COC1=CC(CCCN)=CC=C1 C78001 [0,2,0,0,0,0|0,0,0]=2 213 B12R1.382 COC1=CC=CC(OCCBr)=C1 98064 [0,2,0,0,0,0|1,0,0]=3 214 B12R1.382 O=CC1=CC(OCCO)=CC=C1 D90965 [0,2,0,0,0,0|1,0,1]=4 215 B12R1.385 CNCCC1=CC(O)=C(O)C=C1 H12011 [0,2,0,0,0,0|0,0,0]=2 216 B12R1.385 NCCCC1=CC(Cl)=C(Cl)C=C1 VT1067 [0,2,0,0,0,0|1,0,0]=3 217 B12R1.438 CC(C)OC1=CC(CO)=CC=C1 I11298 [0,2,0,0,0,0|2,0,0]=4 218 B12R1.438 COC1=CC(NC(=N)N)=CC=C1 C14195 [0,2,0,0,0,0|1,0,1]=4 219 B12R1.438 COC1=CC=CC(NC(N)=O)=C1 L10046 [0,2,0,0,0,0|1,0,1]=4 220 B12R1.438 OCC1=CC=CC(OC(F)F)=C1 21284 [0,2,0,0,0,0|2,0,0]=4 221 B12R1.279 COCC1=CC(B(O)O)=CC=C1 I12235 [0,2,0,0,0,0|2,0,0]=4 222 B12R1.279 NCCC1=CC=CC([N+](=O)[O-])=C1 75888 [0,2,0,0,0,0|0,0,1]=3 223 B12R1.286 COC1=C(O)C=CC(CC#N)=C1 E72174 [0,2,0,0,0,0|0,0,2]=4 224 B12R1.286 COC1=C(O)C=CC(CCN)=C1 52802 [0,2,0,0,0,0|0,0,0]=2 225 B12R1.288 COC1=C(Cl)C=C(CCN)C=C1 AT26592 [0,2,0,0,0,0|1,0,0]=3 226 B12R1.288 COC1=C(F)C=C(CCN)C=C1 D87617 [0,2,0,0,0,0|1,0,0]=3 227 B12R2.202 NC1=NC2=C(C=CC=C2O)S1 72870 [0,1,0,1,0,0|1,0,1]=4 228 B12R2.1081 FC1=C2CNCCC2=CC=C1 33396 [0,1,0,1,0,0|1,0,0]=3 229 B12R2.1081 NC1=CC=CC2=C1CCNC2 AB10120 [0,1,0,1,0,0|2,0,0]=4 230 B12R2.1081 NC1=CC=CC2=C1OCCO2 D96165 [0,1,0,1,0,0|2,0,0]=4 231 B12R2.1081 OC1=C2CC=CCC2=CC=C1 C15471 [0,1,0,1,0,0|1,0,1]=4 232 B12R2.132 N[C@H]1CCC2=C1C=C(O)C=C2 N10909 [0,1,0,1,0,0|1,0,0]=3 233 B12R2.132 N[C@H]1COC2=C1C=C(F)C=C2 59809 [0,1,0,1,0,0|2,0,0]=4 234 B12R2.1282 NC1(C2=CC=CC(Cl)=C2)CC1 E10025 [0,1,0,1,0,0|2,0,0]=4 235 B12R2.24 BrC1=CC2=C(C=C1)NCCC2 SC1104 [0,1,0,1,0,0|1,0,0]=3 236 B12R2.24 BrC1=CC2=C(C=C1)NCCS2 77076 [0,1,0,1,0,0|1,0,0]=3 237 B12R2.24 BrC1=CC2=C(C=C1)SCCN2 77077 [0,1,0,1,0,0|2,0,0]=4 238 B12R2.24 ClC1=CC2=C(C=C1)NCCC2 Y10693 [0,1,0,1,0,0|1,0,0]=3 239 B12R2.24 ClC1=CC2=C(C=C1)OCCO2 78110 [0,1,0,1,0,0|2,0,0]=4 240 B12R2.24 FC1=CC2=C(C=C1)OCCN2 26344 [0,1,0,1,0,0|2,0,0]=4 241 B12R2.24 IC1=CC2=C(C=C1)OCCO2 I10085 [0,1,0,1,0,0|2,0,0]=4 242 B12R2.24 NC1=CC2=C(C=C1)CCCC2 AB10169 [0,1,0,1,0,0|2,0,0]=4 243 B12R2.24 OC1=CC2=C(C=C1)CCNC2 O10335 [0,1,0,1,0,0|1,0,0]=3 244 B12R2.1286 BrC1=CC(SC2CC2)=CC=C1 F30463 [0,1,0,1,0,0|2,0,0]=4 245 B12R2.246 BrC1=CC(Br)=C2OCCC2=C1 76204 [0,1,0,1,0,0|2,0,0]=4 246 B8R1.11 NCC1=C(Br)SC=C1 AT16368 [1,0,0,0,1,0|2,0,0]=4 247 B8R1.8 CCCC1=CC=CO1 D92136 [1,0,0,0,1,0|2,0,0]=4 248 B8R1.8 NCCC1=CC=CS1 F14846 [1,0,0,0,1,0|1,0,0]=3 249 B8R1.8 OCCN1C=CC=C1 T72813 [1,0,0,0,1,0|2,0,0]=4