0 B11R1.605 COCC1=C(Cl)C=CC=C1Cl D89995 [0,0,0,0,0,0|2,1,0]=3 1 B11R1.605 FC1=CC=CC(F)=C1CCBr C77830 [0,0,0,0,0,0|1,1,0]=2 2 B11R1.605 N#CCC1=C(Br)C=CC=C1F 97480 [0,0,0,0,0,0|0,1,2]=3 3 B11R1.605 NCCN1C(=O)C=CNC1=O C15629 [0,0,0,0,0,0|4,0,0]=4 4 B11R1.605 O\N=C\C1=C(Br)C=CC=C1F D77658 [0,0,0,0,0,0|2,1,1]=4 5 B11R1.605 O\N=C\C1=C(Cl)C=CC=C1Cl C12433 [0,0,0,0,0,0|2,1,1]=4 6 B10R1.4 C=CCC1=C(C)C=CC=C1 D97323 [1,0,0,0,0,0|2,0,1]=4 7 B10R1.4 C=CCC1=C(N)C=CC=C1 D88543 [1,0,0,0,0,0|2,0,1]=4 8 B10R1.4 CC1=C(N=NN)C=CC=C1 D88287 [1,0,0,0,0,0|3,0,0]=4 9 B10R1.4 CCCC1=C(O)C=CC=C1 D86075 [1,0,0,0,0,0|2,0,0]=3 10 B10R1.4 CCOC1=C(Cl)C=CC=C1 D89218 [1,0,0,0,0,0|2,0,0]=3 11 B10R1.4 CCOC1=C(N)C=CC=C1 D91895 [1,0,0,0,0,0|3,0,0]=4 12 B10R1.4 COCC1=C(Br)C=CC=C1 CK2442 [1,0,0,0,0,0|2,1,0]=4 13 B10R1.4 NCCC1=C(N)C=CC=C1 51438 [1,0,0,0,0,0|1,0,0]=2 14 B10R1.4 NCCN1C=CC=CC1=O AT13457 [1,0,0,0,0,0|2,0,0]=3 15 B10R1.4 NOCC1=C(Cl)C=CC=C1 D87707 [1,0,0,0,0,0|1,0,0]=2 16 B10R1.4 N\N=C\C1=C(O)C=CC=C1 F15584 [1,0,0,0,0,0|2,0,1]=4 17 B10R1.4 OC1=C(CCBr)C=CC=C1 C78317 [1,0,0,0,0,0|2,0,0]=3 18 B10R1.4 O\N=C\C1=C(Cl)C=CC=C1 57820 [1,0,0,0,0,0|2,0,1]=4 19 B10R1.245 C=CC1=C(F)C=CC=C1F 35625 [1,0,0,0,0,0|0,1,2]=4 20 B10R1.245 CSC1=C(Br)C=CC=C1Cl D80598 [1,0,0,0,0,0|1,1,0]=3 21 B10R1.245 ClCC1=C(Cl)C=NC=C1Cl F14674 [1,0,0,0,0,0|2,1,0]=4 22 B10R1.245 OCC1=C(Cl)C=NC=C1Cl AB9066 [1,0,0,0,0,0|2,1,0]=4 23 B12R1.1009 OB(O)CC1=C(Cl)C=CC=C1Cl C14130 [0,1,0,0,0,0|2,1,0]=4 24 B12R1.1631 CC1=CC=CC(C)=C1OCCBr 98062 [0,1,0,0,0,0|3,0,0]=4 25 B12R2.1081 FC1=C2CNCCC2=CC=C1 33396 [0,0,0,1,0,0|3,0,0]=4 26 B12R2.1081 NC1=CC=CC2=C1CCNC2 AB10120 [0,0,0,1,0,0|2,0,0]=3 27 B9R1.8 CSCC1=CC=CC=C1 D88728 [2,0,0,0,0,0|2,0,0]=4 28 B9R1.8 ClCCC1=NC=CC=C1 D83590 [2,0,0,0,0,0|2,0,0]=4 29 B9R1.15 CC1=C(CCl)C=CC=C1 22011 [2,0,0,0,0,0|2,0,0]=4 30 B9R1.15 CC1=C(CN)C=CN=C1 F30519 [2,0,0,0,0,0|2,0,0]=4 31 B9R1.15 CC1=C(CS)C=CC=C1 AT13699 [2,0,0,0,0,0|2,0,0]=4 32 B9R1.15 CCC1=C(N)C=CC=C1 CK1167 [2,0,0,0,0,0|1,0,0]=3 33 B9R1.15 CCC1=C([S-])C=CC=C1 D90553 [2,0,0,0,0,0|1,0,0]=3 34 B9R1.15 CC[N+]1=C(C)C=CC=C1 D90603 [2,0,0,0,0,0|2,0,0]=4 35 B9R1.15 CSC1=C(F)C=CC=C1 D90680 [2,0,0,0,0,0|1,0,0]=3 36 B9R1.15 ClC1=C(CBr)C=CC=N1 A10611 [2,0,0,0,0,0|2,0,0]=4 37 B9R1.15 ClCC1=C(Br)C=CC=C1 H11765 [2,0,0,0,0,0|1,1,0]=4 38 B9R1.15 FC1=C(CS)C=CC=C1 AT13683 [2,0,0,0,0,0|1,0,0]=3 39 B9R1.15 FC1=CC=CN=C1CBr P13399 [2,0,0,0,0,0|2,0,0]=4 40 B9R1.15 NCC1=C(O)C=CC=C1 O10497 [2,0,0,0,0,0|1,0,0]=3 41 B9R1.15 NNC1=C(Br)C=CC=C1 C15043 [2,0,0,0,0,0|1,1,0]=4 42 B9R1.15 NNC1=C(Cl)C=CC=C1 78675 [2,0,0,0,0,0|1,0,0]=3 43 B9R1.15 NNC1=C(Cl)C=CC=N1 80866 [2,0,0,0,0,0|2,0,0]=4 44 B9R1.3 CC1=C(Cl)C=CC=C1Cl 36898 [2,0,0,0,0,0|0,1,0]=3 45 B9R1.3 CN1C(=O)C=CC=C1Cl O11568 [2,0,0,0,0,0|2,0,0]=4 46 B9R1.3 ClC1=CC=CC(Cl)=C1Cl CK1107 [2,0,0,0,0,0|1,1,0]=4 47 B9R1.3 NC1=CC=CC(Cl)=C1F E72150 [2,0,0,0,0,0|2,0,0]=4 48 B9R1.3 NC1=CC=CC(I)=C1N D82914 [2,0,0,0,0,0|1,1,0]=4 49 B9R1.3 OC1=CC=CC(Cl)=C1Cl A10310 [2,0,0,0,0,0|2,0,0]=4 50 B9R1.3 SC1=C(Cl)C=CC=C1Cl S10969 [2,0,0,0,0,0|1,1,0]=4 51 B11R1.13 FC1=CC=CC(CCBr)=C1F C77832 [1,1,0,0,0,0|1,0,0]=3 52 B11R1.17 BrCCOC1=C(Br)C=CC=C1 N11524 [1,1,0,0,0,0|1,1,0]=4 53 B11R1.17 CCOCC1=C(Br)C=CC=C1 N10194 [1,1,0,0,0,0|1,1,0]=4 54 B11R1.17 NCCOC1=C(Br)C=CC=C1 C78110 [1,1,0,0,0,0|0,1,0]=3 55 B11R1.17 O=CCCC1=C(Br)C=CC=C1 29935 [1,1,0,0,0,0|1,1,0]=4 56 B11R1.17 OCC#CC1=C(F)C=CC=C1 A50674 [1,1,0,0,0,0|1,0,1]=4 57 B11R1.17 OCCOC1=C(Br)C=CC=C1 N11733 [1,1,0,0,0,0|1,1,0]=4 58 B11R1.81 CNCC1=C(F)C=C(Br)C=C1 N11594 [1,1,0,0,0,0|2,0,0]=4 59 B11R1.81 FC1=CC(F)=C(CCBr)C=C1 C78053 [1,1,0,0,0,0|1,0,0]=3 60 B11R1.86 CN(C)CC1=C(F)C=CC=C1 L10043 [1,1,0,0,0,0|2,0,0]=4 61 B11R1.86 N=C(N)NC1=C(F)C=CC=C1 25412 [1,1,0,0,0,0|1,0,1]=4 62 B11R1.86 NC(=O)CC1=C(N)C=CC=C1 D78598 [1,1,0,0,0,0|1,0,1]=4 63 B11R1.86 O=C(Cl)CC1=C(Cl)C=CC=C1 D97686 [1,1,0,0,0,0|1,0,1]=4 64 B11R1.86 O=C(Cl)CC1=C(F)C=CC=C1 A10511 [1,1,0,0,0,0|1,0,1]=4 65 B11R1.182 FC1=CC(CCBr)=C(F)C=C1 C77865 [1,1,0,0,0,0|1,0,0]=3 66 B11R1.182 NNCC1=C(F)C=CC(F)=C1 D87553 [1,1,0,0,0,0|1,0,0]=3 67 B11R1.222 CC[C@H](N)C1=C(F)C=CC=C1 N10822 [1,1,0,0,0,0|1,0,0]=3 68 B11R1.222 CC[C@H](O)C1=C(F)C=CC=C1 N11977 [1,1,0,0,0,0|1,0,0]=3 69 B11R1.222 CN[C@@H](C)C1=C(Cl)C=CC=C1 N12587 [1,1,0,0,0,0|2,0,0]=4 70 B11R1.222 CN[C@@H](C)C1=C(F)C=CC=C1 N12344 [1,1,0,0,0,0|2,0,0]=4 71 B11R1.222 NCC(=O)C1=C(Cl)C=CC=C1 C77949 [1,1,0,0,0,0|0,0,1]=3 72 B11R1.222 NCC(=O)C1=C(O)C=CC=C1 C78267 [1,1,0,0,0,0|1,0,1]=4 73 B11R1.72 CC1=C(F)C(C=O)=C(Cl)C=C1 51646 [1,1,0,0,0,0|1,0,1]=4 74 B11R1.72 CC1=C(F)C(CN)=C(Cl)C=C1 D95677 [1,1,0,0,0,0|0,0,0]=2 75 B11R1.72 CC1=CC=C(F)C(C=O)=C1Cl 51577 [1,1,0,0,0,0|1,0,1]=4 76 B11R1.72 CC1=CC=C(F)C(CBr)=C1F C90801 [1,1,0,0,0,0|1,1,0]=4 77 B11R1.72 CC1=CC=C(F)C(CN)=C1F D95678 [1,1,0,0,0,0|0,1,0]=3 78 B11R1.72 COC1=C(F)C=CC(F)=C1O A51236 [1,1,0,0,0,0|2,0,0]=4 79 B11R1.72 FC1=CC=C(Cl)C(F)=C1CBr AT13646 [1,1,0,0,0,0|1,1,0]=4 80 B11R1.72 FC1=CC=C(F)C(CBr)=C1Cl 35529 [1,1,0,0,0,0|1,0,0]=3 81 B11R1.72 N#CC1=C(Cl)C(Cl)=CC=C1F 98206 [1,1,0,0,0,0|0,0,2]=4 82 B11R1.72 N#CC1=C(Cl)C=CC(Cl)=C1F 98207 [1,1,0,0,0,0|0,0,2]=4 83 B11R1.72 NCC1=C(F)C=CC(Cl)=C1F N12288 [1,1,0,0,0,0|0,1,0]=3 84 B11R1.72 NCC1=C(F)C=CC(F)=C1Cl 35640 [1,1,0,0,0,0|0,0,0]=2 85 B11R1.72 NCC1=C(F)C=CC(F)=C1F 35663 [1,1,0,0,0,0|0,1,0]=3 86 B11R1.72 O=CC1=C(Cl)C=CC(F)=C1F 34576 [1,1,0,0,0,0|1,0,1]=4 87 B11R1.156 C[C@H](O)C1=C(Cl)C=CC=C1N E71739 [1,1,0,0,0,0|1,0,0]=3 88 B11R1.156 NC(=S)C1=C(Cl)C=CC=C1Cl A10479 [1,1,0,0,0,0|0,1,1]=4 89 B11R1.265 COC1=C(F)C=CC=C1CN N12507 [1,1,0,0,0,0|2,0,0]=4 90 B11R1.464 CC1=CC(Cl)=CC(Cl)=C1CN C80052 [1,1,0,0,0,0|1,0,0]=3 91 B11R1.464 COC1=C(F)C=C(F)C=C1N AT10629 [1,1,0,0,0,0|2,0,0]=4 92 B11R1.464 NCC1=C(F)C=C(Cl)C=C1F E72218 [1,1,0,0,0,0|0,1,0]=3 93 B11R1.464 OCC1=C(F)C=C(Cl)C=C1F 57265 [1,1,0,0,0,0|1,1,0]=4 94 B11R1.24 NCCCC1=CC=CC(F)=C1 C77729 [0,0,1,1,0,0|1,0,1]=4 95 B11R2.10 NC1CC2=C(C=CC=C2)C1 75403 [1,0,0,1,0,0|1,0,0]=3 96 B11R2.55 BrC1=C(C2CC2)C=CC=C1 C11092 [1,0,0,1,0,0|1,1,0]=4 97 B11R2.106 FC1=C2CCNC2=CC=C1 33886 [1,0,0,1,0,0|0,0,0]=2 98 B11R2.106 FC1=C2CNCC2=CC=C1 F14710 [1,0,0,1,0,0|2,0,0]=4 99 B13R2.4820 ClC1=C2NCCNCC2=CC=C1 57706 [0,1,0,1,0,0|1,0,0]=3