0 B11R1.182 CC1=C(N=C=S)C=C(F)C=C1 CK2530 [0,0,0,0,0,0|3,0,1]=4 1 B11R1.182 CCNC1=C(C)C=CC(O)=C1 D90472 [0,0,0,0,0,0|3,0,0]=3 2 B11R1.182 CCOC1=C(Br)C=CC(N)=C1 76036 [0,0,0,0,0,0|4,0,0]=4 3 B11R1.182 CCOC1=C(N)C=CC(Br)=C1 53625 [0,0,0,0,0,0|4,0,0]=4 4 B11R1.182 FC1=CC(CCBr)=C(F)C=C1 C77865 [0,0,0,0,0,0|3,0,0]=3 5 B11R1.182 N#CCC1=C(Br)C=CC(Br)=C1 CL8957 [0,0,0,0,0,0|2,0,2]=4 6 B11R1.182 NNCC1=C(F)C=CC(F)=C1 D87553 [0,0,0,0,0,0|3,0,0]=3 7 B10R1.4 C=CCC1=C(C)C=CC=C1 D97323 [1,0,0,0,0,0|1,0,1]=3 8 B10R1.4 C=CCC1=C(N)C=CC=C1 D88543 [1,0,0,0,0,0|2,0,1]=4 9 B10R1.4 CC1=C(N=NN)C=CC=C1 D88287 [1,0,0,0,0,0|2,0,0]=3 10 B10R1.4 CCCC1=C(O)C=CC=C1 D86075 [1,0,0,0,0,0|2,0,0]=3 11 B10R1.4 CCCC1=NC=CN=C1C D91392 [1,0,0,0,0,0|3,0,0]=4 12 B10R1.4 CCOC1=C(Cl)C=CC=C1 D89218 [1,0,0,0,0,0|3,0,0]=4 13 B10R1.4 CCOC1=C(N)C=CC=C1 D91895 [1,0,0,0,0,0|3,0,0]=4 14 B10R1.4 COCC1=C(Br)C=CC=C1 CK2442 [1,0,0,0,0,0|3,0,0]=4 15 B10R1.4 NCCC1=C(N)C=CC=C1 51438 [1,0,0,0,0,0|1,0,0]=2 16 B10R1.4 NCCN1C=CC=CC1=O AT13457 [1,0,0,0,0,0|2,0,0]=3 17 B10R1.4 NOCC1=C(Cl)C=CC=C1 D87707 [1,0,0,0,0,0|2,0,0]=3 18 B10R1.4 N\N=C\C1=C(O)C=CC=C1 F15584 [1,0,0,0,0,0|2,0,1]=4 19 B10R1.4 OC1=C(CCBr)C=CC=C1 C78317 [1,0,0,0,0,0|2,0,0]=3 20 B10R1.10 CCCC1=CC(C)=CC=C1 D92006 [1,0,0,0,0,0|1,0,0]=2 21 B10R1.10 CCOC1=CC(O)=CC=C1 CK1178 [1,0,0,0,0,0|3,0,0]=4 22 B10R1.10 CCSC1=CC=CC(Br)=C1 AT20878 [1,0,0,0,0,0|3,0,0]=4 23 B10R1.10 CNCC1=CC=CC(Cl)=C1 L10045 [1,0,0,0,0,0|3,0,0]=4 24 B10R1.10 NNCC1=CC=CC(Br)=C1 P10524 [1,0,0,0,0,0|2,0,0]=3 25 B10R1.10 NNCC1=CC=CC(Cl)=C1 74963 [1,0,0,0,0,0|2,0,0]=3 26 B10R1.10 NNCC1=CC=CC(F)=C1 75838 [1,0,0,0,0,0|2,0,0]=3 27 B10R1.30 CC1=CC(C=O)=C(Cl)C=C1 S10830 [1,0,0,0,0,0|2,0,1]=4 28 B10R1.30 CC1=CC(CN)=C(Cl)C=C1 W13487 [1,0,0,0,0,0|1,0,0]=2 29 B10R1.30 CC1=CC(CO)=C(C)C=C1 A11027 [1,0,0,0,0,0|1,0,0]=2 30 B10R1.30 CC1=CC(CO)=C(F)C=C1 CK2472 [1,0,0,0,0,0|2,0,0]=3 31 B10R1.30 COC1=C(F)C=CC(C)=C1 22298 [1,0,0,0,0,0|2,0,0]=3 32 B10R1.30 COC1=C(F)C=CC(N)=C1 AT11971 [1,0,0,0,0,0|3,0,0]=4 33 B10R1.30 CSC1=C(Br)C=CC(F)=C1 D74569 [1,0,0,0,0,0|3,0,0]=4 34 B10R1.30 ClC1=C(CBr)C=C(I)C=C1 35534 [1,0,0,0,0,0|3,0,0]=4 35 B10R1.30 NC1=C(CO)C=C(I)C=C1 AC6308 [1,0,0,0,0,0|3,0,0]=4 36 B10R1.30 NCC1=C(O)C=CC(Cl)=C1 C90472 [1,0,0,0,0,0|2,0,0]=3 37 B10R1.30 OCC1=C(F)C=CC(Cl)=C1 CK2452 [1,0,0,0,0,0|3,0,0]=4 38 B10R1.30 OCC1=C(O)C=CC(Cl)=C1 E72725 [1,0,0,0,0,0|3,0,0]=4 39 B12R1.127 CC1=CC(CC(=O)Cl)=C(C)C=C1 D90268 [0,1,0,0,0,0|1,0,1]=3 40 B12R1.354 CCC(=O)C1=C(C)C=CC(C)=C1 N12086 [0,1,0,0,0,0|1,0,1]=3 41 B12R1.354 CCC(=O)C1=C(O)C=CC(C)=C1 D91039 [0,1,0,0,0,0|2,0,1]=4 42 B12R1.354 CC[C@H](N)C1=C(Br)C=CC(Cl)=C1 C91967 [0,1,0,0,0,0|3,0,0]=4 43 B12R2.24 BrC1=CC2=C(C=C1)NCCC2 SC1104 [0,0,0,1,0,0|3,0,0]=4 44 B12R2.24 ClC1=CC2=C(C=C1)NCCC2 Y10693 [0,0,0,1,0,0|3,0,0]=4 45 B12R2.24 NC1=CC2=C(C=C1)CCCC2 AB10169 [0,0,0,1,0,0|2,0,0]=3 46 B12R2.24 OC1=CC2=C(C=C1)CCNC2 O10335 [0,0,0,1,0,0|3,0,0]=4 47 B10R1.130 CC1=NN(C)C(CCN)=C1 C16817 [0,0,0,0,1,0|2,0,0]=3 48 B10R1.187 C#CCN1C(C)=CC=C1C W16090 [0,0,0,0,1,0|2,0,1]=4 49 B10R1.187 CC1=NNC(C)=C1CCO AT16111 [0,0,0,0,1,0|3,0,0]=4 50 B9R1.8 CSCC1=CC=CC=C1 D88728 [2,0,0,0,0,0|2,0,0]=4 51 B9R1.8 ClCCC1=NC=CC=C1 D83590 [2,0,0,0,0,0|2,0,0]=4 52 B9R1.15 CC1=C(CCl)C=CC=C1 22011 [2,0,0,0,0,0|1,0,0]=3 53 B9R1.15 CC1=C(CN)C=CN=C1 F30519 [2,0,0,0,0,0|1,0,0]=3 54 B9R1.15 CC1=C(CS)C=CC=C1 AT13699 [2,0,0,0,0,0|1,0,0]=3 55 B9R1.15 CCC1=C(N)C=CC=C1 CK1167 [2,0,0,0,0,0|1,0,0]=3 56 B9R1.15 CCC1=C([S-])C=CC=C1 D90553 [2,0,0,0,0,0|1,0,0]=3 57 B9R1.15 CC[N+]1=C(C)C=CC=C1 D90603 [2,0,0,0,0,0|1,0,0]=3 58 B9R1.15 CSC1=C(F)C=CC=C1 D90680 [2,0,0,0,0,0|2,0,0]=4 59 B9R1.15 ClCC1=C(Br)C=CC=C1 H11765 [2,0,0,0,0,0|2,0,0]=4 60 B9R1.15 FC1=C(CS)C=CC=C1 AT13683 [2,0,0,0,0,0|2,0,0]=4 61 B9R1.15 NCC1=C(O)C=CC=C1 O10497 [2,0,0,0,0,0|1,0,0]=3 62 B9R1.15 NNC1=C(Br)C=CC=C1 C15043 [2,0,0,0,0,0|2,0,0]=4 63 B9R1.15 NNC1=C(Cl)C=CC=C1 78675 [2,0,0,0,0,0|2,0,0]=4 64 B9R1.2 CC1=CC(CCl)=NC=C1 C15707 [2,0,0,0,0,0|2,0,0]=4 65 B9R1.2 CC1=CC=CC(CS)=C1 AT13701 [2,0,0,0,0,0|1,0,0]=3 66 B9R1.2 COC1=CC(N)=CC=C1 D88266 [2,0,0,0,0,0|2,0,0]=4 67 B9R1.2 FC1=CC=CC(CS)=C1 AT13684 [2,0,0,0,0,0|2,0,0]=4 68 B9R1.2 NCC1=CC=CC(F)=N1 24135 [2,0,0,0,0,0|2,0,0]=4 69 B9R1.2 NCC1=CC=C[N+]([O-])=C1 52093 [2,0,0,0,0,0|2,0,0]=4 70 B9R1.2 NNC1=CC=CC(Cl)=C1 D89224 [2,0,0,0,0,0|2,0,0]=4 71 B9R1.2 OC1=CC=CC(CCl)=C1 D84184 [2,0,0,0,0,0|2,0,0]=4 72 B9R1.69 CC1=C(C)C=C([S-])C=C1 D90179 [2,0,0,0,0,0|1,0,0]=3 73 B9R1.69 CC1=C(F)C=CC(S)=C1 76113 [2,0,0,0,0,0|2,0,0]=4 74 B9R1.69 CC1=C(N)C=CC(Cl)=C1 D89231 [2,0,0,0,0,0|2,0,0]=4 75 B9R1.69 CC1=CC(Cl)=C(Cl)C=C1 36893 [2,0,0,0,0,0|2,0,0]=4 76 B9R1.69 CC1=CC=C(N)C(N)=N1 E71848 [2,0,0,0,0,0|2,0,0]=4 77 B9R1.69 CC1=CN=C(F)C(C)=C1 D84290 [2,0,0,0,0,0|2,0,0]=4 78 B9R1.69 CC1=CN=C(O)C(N)=C1 29625 [2,0,0,0,0,0|2,0,0]=4 79 B9R1.69 NC1=C(Cl)C=CC(Cl)=C1 22007 [2,0,0,0,0,0|2,0,0]=4 80 B9R1.69 NC1=C(N)C=C(O)C=C1 N12481 [2,0,0,0,0,0|2,0,0]=4 81 B9R1.69 NC1=CC(N)=C(O)C=C1 23780 [2,0,0,0,0,0|2,0,0]=4 82 B9R1.69 NC1=CC(N)=C(O)C=C1 D78344 [2,0,0,0,0,0|2,0,0]=4 83 B9R1.69 NC1=CC(N)=C(O)C=C1 D90071 [2,0,0,0,0,0|2,0,0]=4 84 B11R1.13 COCC1=CC=CC(Br)=C1C AT26795 [1,1,0,0,0,0|2,0,0]=4 85 B11R1.13 FC1=CC=CC(CCBr)=C1F C77832 [1,1,0,0,0,0|2,0,0]=4 86 B11R1.17 BrCCOC1=C(Br)C=CC=C1 N11524 [1,1,0,0,0,0|2,0,0]=4 87 B11R1.17 C#CCOC1=C(C)C=CC=C1 C78309 [1,1,0,0,0,0|1,0,1]=4 88 B11R1.17 C=CCOC1=C(C)C=CC=C1 D88409 [1,1,0,0,0,0|1,0,1]=4 89 B11R1.17 CC1=C(C#CCO)C=CC=C1 A50684 [1,1,0,0,0,0|1,0,1]=4 90 B11R1.17 CCOCC1=C(Br)C=CC=C1 N10194 [1,1,0,0,0,0|2,0,0]=4 91 B11R1.17 NCCOC1=C(Br)C=CC=C1 C78110 [1,1,0,0,0,0|1,0,0]=3 92 B11R1.17 O=CCCC1=C(Br)C=CC=C1 29935 [1,1,0,0,0,0|2,0,0]=4 93 B11R1.17 OCCOC1=C(Br)C=CC=C1 N11733 [1,1,0,0,0,0|2,0,0]=4 94 B11R1.41 COC1=C(CC#N)C=CC=C1 D73340 [1,1,0,0,0,0|0,0,2]=4 95 B11R1.81 CNCC1=C(C)C=C(C)C=C1 C78452 [1,1,0,0,0,0|2,0,0]=4 96 B11R1.81 FC1=CC(F)=C(CCBr)C=C1 C78053 [1,1,0,0,0,0|2,0,0]=4 97 B11R1.86 CC(=O)CC1=C(C)C=CC=C1 N12425 [1,1,0,0,0,0|1,0,1]=4 98 B11R1.86 NC(=O)CC1=C(N)C=CC=C1 D78598 [1,1,0,0,0,0|1,0,1]=4 99 B11R1.222 CCN(N)C1=C(C)C=CC=C1 D90541 [1,1,0,0,0,0|2,0,0]=4 100 B11R1.222 CC[C@H](N)C1=C(F)C=CC=C1 N10822 [1,1,0,0,0,0|2,0,0]=4 101 B11R1.222 CC[C@H](N)C1=NC=CC=C1C F17004 [1,1,0,0,0,0|2,0,0]=4 102 B11R1.222 CC[C@H](O)C1=C(F)C=CC=C1 N11977 [1,1,0,0,0,0|2,0,0]=4 103 B11R1.222 NCC(=O)C1=C(Cl)C=CC=C1 C77949 [1,1,0,0,0,0|1,0,1]=4 104 B11R1.222 NCC(=O)C1=C(O)C=CC=C1 C78267 [1,1,0,0,0,0|1,0,1]=4 105 B11R1.605 FC1=CC=CC(F)=C1CCBr C77830 [1,1,0,0,0,0|2,0,0]=4 106 B11R1.23 CC[C@H](N)C1=CC=CC(Cl)=C1 N12550 [1,1,0,0,0,0|2,0,0]=4 107 B11R1.23 CC[C@H](N)C1=NC(C)=CC=C1 N10812 [1,1,0,0,0,0|2,0,0]=4 108 B11R1.23 CC[C@H](O)C1=CC=CC(F)=C1 N11963 [1,1,0,0,0,0|2,0,0]=4 109 B11R1.23 NCC(=O)C1=CC=CC(Cl)=C1 C78269 [1,1,0,0,0,0|1,0,1]=4 110 B11R1.23 NC[C@H](O)C1=CC=CC(O)=C1 D91696 [1,1,0,0,0,0|1,0,0]=3 111 B11R1.24 CC1=CC=CC(CCCO)=C1 C12553 [1,1,0,0,0,0|1,0,0]=3 112 B11R1.24 CC1=CC=CC(OCCO)=C1 D90477 [1,1,0,0,0,0|1,0,0]=3 113 B11R1.24 CNCCC1=CC(C)=CC=C1 C77877 [1,1,0,0,0,0|0,0,0]=2 114 B11R1.24 NCCCC1=CC=CC(Br)=C1 C77975 [1,1,0,0,0,0|1,0,0]=3 115 B11R1.24 NCCCC1=CC=CC(F)=C1 C77729 [1,1,0,0,0,0|1,0,0]=3 116 B11R1.24 NCCOC1=NC=CC(Cl)=C1 O10440 [1,1,0,0,0,0|2,0,0]=4 117 B11R1.34 NCCC1=CC(F)=CC(F)=C1 AT21562 [1,1,0,0,0,0|1,0,0]=3 118 B11R1.157 CC1=CC=CC(NC(N)=S)=C1 S12350 [1,1,0,0,0,0|1,0,1]=4 119 B11R1.189 COC1=CC(CCN)=CC=C1 64359 [1,1,0,0,0,0|0,0,0]=2 120 B11R1.192 NCCC1=CC(O)=C(O)C=C1 F21485 [1,1,0,0,0,0|1,0,0]=3 121 B11R1.37 COC1=C(OC)C=C(N)C=C1 L10100 [1,1,0,0,0,0|2,0,0]=4 122 B11R1.72 CC1=C(F)C(CN)=C(Cl)C=C1 D95677 [1,1,0,0,0,0|1,0,0]=3 123 B11R1.72 CC1=CC=C(F)C(CBr)=C1F C90801 [1,1,0,0,0,0|2,0,0]=4 124 B11R1.72 CC1=CC=C(F)C(CN)=C1F D95678 [1,1,0,0,0,0|1,0,0]=3 125 B11R1.72 NCC1=C(F)C=CC(Cl)=C1F N12288 [1,1,0,0,0,0|2,0,0]=4 126 B11R1.72 NCC1=C(F)C=CC(F)=C1Cl 35640 [1,1,0,0,0,0|2,0,0]=4 127 B11R1.72 NCC1=C(F)C=CC(F)=C1F 35663 [1,1,0,0,0,0|2,0,0]=4 128 B11R1.167 CC1=CC([C@H](C)N)=C(C)C=C1 20075 [1,1,0,0,0,0|0,0,0]=2 129 B11R1.167 C[C@H](O)C1=C(I)C=CC(F)=C1 D85844 [1,1,0,0,0,0|2,0,0]=4 130 B11R1.277 COC1=CC(C)=C(Cl)C=C1N 58347 [1,1,0,0,0,0|2,0,0]=4 131 B11R1.280 COC1=CC(CN)=C(F)C=C1 I11018 [1,1,0,0,0,0|1,0,0]=3 132 B11R1.230 CC1=CC(C)=NN1CCCN 74889 [0,1,0,0,1,0|2,0,0]=4 133 B13R1.897 CC1=CC([S@@](=O)C(F)F)=C(C)C=C1 D90420 [0,2,0,0,0,0|2,0,0]=4 134 B13R1.446 CCCC(=O)C1=C(C)C=CC(C)=C1 N12396 [0,2,0,0,0,0|1,0,0]=3 135 B13R1.656 CC1=CC(OCCCBr)=C(C)C=C1 83294 [0,2,0,0,0,0|1,0,0]=3 136 B11R2.10 NC1CC2=C(C=CC=C2)C1 75403 [1,0,0,1,0,0|0,0,0]=2 137 B11R2.55 BrC1=C(C2CC2)C=CC=C1 C11092 [1,0,0,1,0,0|2,0,0]=4 138 B11R2.106 CC1=C2NCCC2=CC=C1 O11660 [1,0,0,1,0,0|2,0,0]=4 139 B11R2.106 FC1=C2CCNC2=CC=C1 33886 [1,0,0,1,0,0|1,0,0]=3 140 B11R2.988 N#C[C@H]1CC2=C1C=CC=C2 67732 [1,0,0,1,0,0|0,0,2]=4 141 B11R2.36 BrC1=CC2=C(C=C1)NCC2 F13820 [1,0,0,1,0,0|1,0,0]=3 142 B11R2.36 OC1=CC2=C(C=C1)NCC2 F19200 [1,0,0,1,0,0|1,0,0]=3 143 B13R2.155 CC1=CC2=C(C=C1)CC[C@H](C)N2 VT1240 [0,1,0,1,0,0|2,0,0]=4 144 B13R2.155 N[C@H]1CCC2=C(C=C(O)C=C2)C1 23336 [0,1,0,1,0,0|1,0,0]=3 145 B13R2.57 COC1=CC2=C(C=C1)CCCC2 Y10210 [0,1,0,1,0,0|1,0,0]=3 146 B9R1.33 CC1=C(CCN)SC=N1 Y11107 [1,0,0,0,1,0|2,0,0]=4 147 B9R1.22 CC1=CC(CO)=C(C)O1 H10999 [1,0,0,0,1,0|2,0,0]=4 148 B9R1.22 CC1=NN(C)C=C1CN AT13898 [1,0,0,0,1,0|2,0,0]=4 149 B9R1.22 CCN1N=C(C)C=C1C C15108 [1,0,0,0,1,0|2,0,0]=4