0 B9R1.15 CC1=C(CCl)C=CC=C1 22011 [0,0,0,0,0,0|3,0,0]=3 1 B9R1.15 CC1=C(CN)C=CN=C1 F30519 [0,0,0,0,0,0|4,0,0]=4 2 B9R1.15 CC1=C(CS)C=CC=C1 AT13699 [0,0,0,0,0,0|3,0,0]=3 3 B9R1.15 CCC1=C(N)C=CC=C1 CK1167 [0,0,0,0,0,0|3,0,0]=3 4 B9R1.15 CCC1=C([S-])C=CC=C1 D90553 [0,0,0,0,0,0|3,0,0]=3 5 B9R1.15 CC[N+]1=C(C)C=CC=C1 D90603 [0,0,0,0,0,0|3,0,0]=3 6 B9R1.15 COC1=CC=CN=C1I D73279 [0,0,0,0,0,0|3,0,0]=3 7 B9R1.15 COC1=NC=CN=C1I H10462 [0,0,0,0,0,0|2,0,0]=2 8 B9R1.15 CSC1=C(F)C=CC=C1 D90680 [0,0,0,0,0,0|4,0,0]=4 9 B9R1.15 ClC1=C(CBr)C=CC=N1 A10611 [0,0,0,0,0,0|3,0,0]=3 10 B9R1.15 ClCC1=C(Br)C=CC=C1 H11765 [0,0,0,0,0,0|4,0,0]=4 11 B9R1.15 FC1=C(CS)C=CC=C1 AT13683 [0,0,0,0,0,0|4,0,0]=4 12 B9R1.15 FC1=CC=CN=C1CBr P13399 [0,0,0,0,0,0|3,0,0]=3 13 B9R1.15 N#CC1=CC=CN=C1I C15856 [0,0,0,0,0,0|3,0,1]=4 14 B9R1.15 N#CC1=CC=CN=C1S 93688 [0,0,0,0,0,0|3,0,1]=4 15 B9R1.15 NCC1=C(O)C=CC=C1 O10497 [0,0,0,0,0,0|4,0,0]=4 16 B9R1.15 NNC1=C(Cl)C=CC=N1 80866 [0,0,0,0,0,0|4,0,0]=4 17 B9R1.15 OCC1=C(O)C=CC=N1 S12139 [0,0,0,0,0,0|3,0,0]=3 18 B8R1.2 BrCC1=NC=CC=C1 D87709 [1,0,0,0,0,0|2,0,0]=3 19 B8R1.2 C=CC1=NC=CC=C1 91716 [1,0,0,0,0,0|1,0,2]=4 20 B8R1.2 CCC1=CC=CN=C1 D87724 [1,0,0,0,0,0|1,0,0]=2 21 B8R1.2 CCC1=CC=NC=C1 D90449 [1,0,0,0,0,0|3,0,0]=4 22 B8R1.2 CCC1=NC=CC=C1 AT23190 [1,0,0,0,0,0|1,0,0]=2 23 B8R1.2 COC1=CCC=CC1 78369 [1,0,0,0,0,0|3,0,0]=4 24 B8R1.2 ClCC1=CN=CN=C1 P10951 [1,0,0,0,0,0|3,0,0]=4 25 B8R1.2 ICC1=CN=CC=C1 AC6646 [1,0,0,0,0,0|2,0,0]=3 26 B8R1.2 NCC1=CC=CC=C1 T70936 [1,0,0,0,0,0|3,0,0]=4 27 B8R1.2 NCC1=CN=CN=C1 P15266 [1,0,0,0,0,0|3,0,0]=4 28 B8R1.2 OCC1=NC=CC=N1 W13843 [1,0,0,0,0,0|3,0,0]=4 29 B8R1.5 CC1=C(N)C=CC=C1 C90102 [1,0,0,0,0,0|3,0,0]=4 30 B8R1.5 CC1=NC=CN=C1N E72340 [1,0,0,0,0,0|1,0,0]=2 31 B8R1.5 NC1=CC=CN=C1O 38059 [1,0,0,0,0,0|3,0,0]=4 32 B8R1.5 OC1=C(Br)C=CC=N1 22453 [1,0,0,0,0,0|3,0,0]=4 33 B10R1.2 CC1=C(Cl)C=CC=C1CN Y11684 [0,1,0,0,0,0|3,0,0]=4 34 B10R1.4 C=CCC1=C(C)C=CC=C1 D97323 [0,1,0,0,0,0|2,0,1]=4 35 B10R1.4 CCCC1=C(O)C=CC=C1 D86075 [0,1,0,0,0,0|3,0,0]=4 36 B10R1.4 CCCC1=NC=CN=C1C D91392 [0,1,0,0,0,0|0,0,0]=1 37 B10R1.4 CCOC1=C(Cl)C=CC=C1 D89218 [0,1,0,0,0,0|3,0,0]=4 38 B10R1.4 CCOC1=C(N)C=CC=C1 D91895 [0,1,0,0,0,0|3,0,0]=4 39 B10R1.4 CCOC1=NC=CN=C1Br D83226 [0,1,0,0,0,0|1,0,0]=2 40 B10R1.4 COCC1=C(Br)C=CC=C1 CK2442 [0,1,0,0,0,0|3,0,0]=4 41 B10R1.4 NCCC1=C(N)C=CC=C1 51438 [0,1,0,0,0,0|3,0,0]=4 42 B10R1.4 OC1=C(CCBr)C=CC=C1 C78317 [0,1,0,0,0,0|3,0,0]=4 43 B10R1.20 CCC1=C(CC)C=CC=C1 60317 [0,1,0,0,0,0|2,0,0]=3 44 B10R1.20 CCC1=C(OC)C=CC=C1 D90534 [0,1,0,0,0,0|2,0,0]=3 45 B10R1.20 COC1=C(CCl)C=CC=N1 36535 [0,1,0,0,0,0|2,0,0]=3 46 B10R1.25 CCC1=C(C)C=C(C)C=C1 T73021 [0,1,0,0,0,0|2,0,0]=3 47 B10R1.25 CNC1=NC=C(Br)C=C1C 72014 [0,1,0,0,0,0|2,0,0]=3 48 B10R1.25 COC1=CC=C(N)N=C1Br S12142 [0,1,0,0,0,0|3,0,0]=4 49 B10R1.30 CC1=CC(CO)=C(C)C=C1 A11027 [0,1,0,0,0,0|3,0,0]=4 50 B10R1.61 C=C(C)C1=C(C)C=CC=C1 D91121 [0,1,0,0,0,0|2,0,1]=4 51 B10R1.61 CC1=C(B(O)O)C=CC=N1 69537 [0,1,0,0,0,0|3,0,0]=4 52 B10R1.61 CC1=C(N(C)C)C=CC=C1 D89722 [0,1,0,0,0,0|3,0,0]=4 53 B10R1.61 CC1=CC=CN=C1[C@H](C)N F16866 [0,1,0,0,0,0|1,0,0]=2 54 B8R1.11 CC1=C(C=O)C=CO1 AT17469 [0,0,0,0,1,0|2,0,1]=4 55 B8R1.11 CC1=C(C=O)OC=C1 AT17117 [0,0,0,0,1,0|2,0,1]=4 56 B8R1.11 CC1=C(CCl)N=CN1 AT15568 [0,0,0,0,1,0|1,0,1]=3 57 B8R1.11 CC1=C(CO)OC=N1 76823 [0,0,0,0,1,0|2,0,0]=3 58 B8R1.11 NCC1=C(Br)SC=C1 AT16368 [0,0,0,0,1,0|3,0,0]=4 59 B7R0.10 CC(=N/[O-])\C(C)=N\[O-] D89710 [1,0,1,0,0,0|2,0,0]=4 60 B7R0.10 CCC(=O)\C(C)=N\O D86364 [1,0,1,0,0,0|2,0,0]=4 61 B7R1.3 CC1=CCC=CC1 D91336 [2,0,0,0,0,0|2,0,0]=4 62 B9R1.1 CCC1=CC=C(S)C=C1 H11883 [1,1,0,0,0,0|2,0,0]=4 63 B9R1.1 CCC1=CN=C(C)C=C1 D88165 [1,1,0,0,0,0|1,0,0]=3 64 B9R1.1 CNC1=CN=C(Br)C=N1 N10144 [1,1,0,0,0,0|1,0,0]=3 65 B9R1.2 CC1=CC(CCl)=NC=C1 C15707 [1,1,0,0,0,0|2,0,0]=4 66 B9R1.2 CNC1=CC=CC(Br)=N1 AT21378 [1,1,0,0,0,0|2,0,0]=4 67 B9R1.2 COC1=CC(I)=CN=C1 D77741 [1,1,0,0,0,0|2,0,0]=4 68 B9R1.2 CSC1=CC(Br)=CN=C1 71759 [1,1,0,0,0,0|2,0,0]=4 69 B9R1.2 NCC1=CC=CC(F)=N1 24135 [1,1,0,0,0,0|2,0,0]=4 70 B9R1.6 CN(C)C1=CC=CN=C1 N12098 [1,1,0,0,0,0|2,0,0]=4 71 B9R1.6 C[C@H](Cl)C1=CC=CC=C1 A10187 [1,1,0,0,0,0|2,0,0]=4 72 B9R1.6 C[C@H](N)C1=NC=CC=C1 90515 [1,1,0,0,0,0|1,0,0]=3 73 B9R1.8 CCOC1=CN=NC=C1 C16860 [1,1,0,0,0,0|2,0,0]=4 74 B9R1.8 CNCC1=NC=CN=C1 P10399 [1,1,0,0,0,0|0,0,0]=2 75 B9R1.8 CNCC1=NC=NC=C1 AT18327 [1,1,0,0,0,0|2,0,0]=4 76 B9R1.8 CNCC1=NC=NC=C1 I11999 [1,1,0,0,0,0|2,0,0]=4 77 B9R1.8 CSCC1=CC=CC=C1 D88728 [1,1,0,0,0,0|2,0,0]=4 78 B9R1.8 CSCC1=CN=CC=C1 E72352 [1,1,0,0,0,0|1,0,0]=3 79 B9R1.8 ClCCC1=NC=CC=C1 D83590 [1,1,0,0,0,0|1,0,0]=3 80 B9R1.3 CC1=CC=C[N+]([O-])=C1C H10547 [1,1,0,0,0,0|1,0,1]=4 81 B9R1.3 CC1=NC=CC(Cl)=C1Cl AT26557 [1,1,0,0,0,0|2,0,0]=4 82 B9R1.69 CC1=C(Br)C=C(Cl)C=N1 P11506 [1,1,0,0,0,0|2,0,0]=4 83 B9R1.69 CC1=C(C)C=C([S-])C=C1 D90179 [1,1,0,0,0,0|2,0,0]=4 84 B9R1.69 CC1=C(I)C=CC(Br)=N1 I11230 [1,1,0,0,0,0|2,0,0]=4 85 B9R1.69 CC1=C(O)N=CC(Br)=N1 F13810 [1,1,0,0,0,0|1,0,0]=3 86 B9R1.69 CC1=CN=C(Br)C(C)=N1 D94813 [1,1,0,0,0,0|1,0,0]=3 87 B9R1.69 CC1=CN=C(F)C(C)=C1 D84290 [1,1,0,0,0,0|2,0,0]=4 88 B9R1.14 CCC1=CNC=C1CC F10353 [0,1,0,0,1,0|2,0,0]=4 89 B9R1.14 CCN1N=CN=C1C=O AT12472 [0,1,0,0,1,0|1,0,1]=4 90 B9R1.14 OCC1=C(CO)NC=N1 98661 [0,1,0,0,1,0|1,0,1]=4 91 B9R1.22 CC1=CC(C)=NN1CO D90013 [0,1,0,0,1,0|2,0,0]=4 92 B9R1.22 CC1=CC(CO)=C(C)O1 H10999 [0,1,0,0,1,0|2,0,0]=4 93 B9R1.22 CC1=NC(C)=C(CCl)S1 AT15039 [0,1,0,0,1,0|2,0,0]=4 94 B9R1.22 CC1=NC(C)=C(CO)O1 33335 [0,1,0,0,1,0|2,0,0]=4 95 B9R1.22 CC1=NN(C)C=C1CN AT13898 [0,1,0,0,1,0|2,0,0]=4 96 B9R1.22 CCC1=NC(N)=NN1C AT12116 [0,1,0,0,1,0|1,0,0]=3 97 B9R1.22 CCN1N=C(C)C=C1C C15108 [0,1,0,0,1,0|1,0,0]=3 98 B9R1.33 CC1=C(CCN)SC=N1 Y11107 [0,1,0,0,1,0|1,0,0]=3 99 B9R1.33 CCCN1N=CC=C1N AT14118 [0,1,0,0,1,0|2,0,0]=4 100 B9R1.33 CNCC1=CC=CN1C AT16163 [0,1,0,0,1,0|2,0,0]=4 101 B9R1.41 CC(=O)C1=C(C)N=CS1 83699 [0,1,0,0,1,0|1,0,1]=4 102 B9R1.41 C[C@H](N)C1=NN=CN1C AT12114 [0,1,0,0,1,0|2,0,0]=4 103 B9R1.132 CCN1C=C[N+](C)=C1C AC9220 [0,1,0,0,1,0|1,0,1]=4 104 B11R1.13 COCC1=CC=CC(Br)=C1C AT26795 [0,2,0,0,0,0|2,0,0]=4 105 B11R1.278 CC1=CN=C(CCl)C(C)=C1Cl C10826 [0,2,0,0,0,0|2,0,0]=4 106 B11R1.17 CCCCC1=NC=CN=C1C C14959 [0,2,0,0,0,0|0,0,0]=2 107 B11R1.41 CCOC1=C(NC)N=CC=C1 76843 [0,2,0,0,0,0|1,0,0]=3 108 B11R1.41 CCOC1=NC=CN=C1CC D90573 [0,2,0,0,0,0|0,0,0]=2 109 B11R1.81 CNCC1=C(C)C=C(C)C=C1 C78452 [0,2,0,0,0,0|2,0,0]=4 110 B11R1.86 CC(=O)CC1=C(C)C=CC=C1 N12425 [0,2,0,0,0,0|2,0,0]=4 111 B11R1.182 CCNC1=C(C)C=CC(O)=C1 D90472 [0,2,0,0,0,0|2,0,0]=4 112 B11R1.222 CCN(N)C1=C(C)C=CC=C1 D90541 [0,2,0,0,0,0|2,0,0]=4 113 B11R1.222 CC[C@H](N)C1=NC=CC=C1C F17004 [0,2,0,0,0,0|1,0,0]=3 114 B11R1.222 CNC(=O)C1=NC=CC=C1C D75083 [0,2,0,0,0,0|1,0,1]=4 115 B11R1.222 CO[C@@H](C)C1=CC=CN=C1Cl E72494 [0,2,0,0,0,0|2,0,0]=4 116 B11R1.167 CC1=CC([C@H](C)N)=C(C)C=C1 20075 [0,2,0,0,0,0|2,0,0]=4 117 B11R1.167 CN(C)C1=C(N)N=CC(Br)=N1 23954 [0,2,0,0,0,0|2,0,0]=4 118 B11R1.87 CC1=C(C(C)(C)C)C=CC=C1 34676 [0,2,0,0,0,0|2,0,0]=4 119 B9R2.50 C1=CC2=C(C=C1)CC2 F15000 [1,0,0,1,0,0|2,0,0]=4 120 B9R2.3 C1=C2CNCC2=NN1 F13338 [0,0,0,1,1,0|2,0,0]=4 121 B9R2.3 C1=NNC2=C1CCC2 F53114 [0,0,0,1,1,0|1,0,1]=4 122 B11R2.106 CC1=C2NCCC2=CC=C1 O11660 [0,1,0,1,0,0|2,0,0]=4 123 B11R2.106 [O-][N+]1=C2CCCC2=CC=C1 85954 [0,1,0,1,0,0|1,0,1]=4 124 B11R2.10 NC1CC2=C(C=CC=C2)C1 75403 [0,1,0,1,0,0|2,0,0]=4 125 B11R2.1 N[C@H]1CCC2=CC=CN=C21 87181 [0,1,0,1,0,0|1,0,0]=3 126 B7R1.1 CCC1=CC=CN1 D90555 [1,0,0,0,1,0|0,0,1]=3 127 B7R1.1 CCN1C=CC=C1 F17504 [1,0,0,0,1,0|2,0,0]=4 128 B7R1.1 COC1=CC=CO1 F10347 [1,0,0,0,1,0|2,0,0]=4 129 B7R1.1 CSC1=CC=CS1 77890 [1,0,0,0,1,0|2,0,0]=4 130 B7R1.1 ClCN1C=NC=N1 I11108 [1,0,0,0,1,0|2,0,0]=4 131 B7R1.1 NCC1=CC=CO1 AT17186 [1,0,0,0,1,0|2,0,0]=4 132 B7R1.1 NCC1=CC=NN1 70944 [1,0,0,0,1,0|2,0,0]=4 133 B7R1.1 NCC1=CSC=N1 30352 [1,0,0,0,1,0|2,0,0]=4 134 B7R1.1 NCC1=NNC=C1 39435 [1,0,0,0,1,0|2,0,0]=4 135 B7R1.1 NCC1=NNC=C1 W13339 [1,0,0,0,1,0|2,0,0]=4 136 B7R1.1 NCC1=NOC=C1 38445 [1,0,0,0,1,0|2,0,0]=4 137 B7R1.1 OCC1=CN=CN1 W10511 [1,0,0,0,1,0|1,0,1]=4 138 B7R1.1 OCC1=CNC=N1 W10530 [1,0,0,0,1,0|1,0,1]=4 139 B7R1.1 OCC1=NNC=C1 O10009 [1,0,0,0,1,0|2,0,0]=4 140 B7R1.4 CC1=C(Br)NC=N1 23642 [1,0,0,0,1,0|1,0,1]=4 141 B7R1.4 CC1=C(C)SC=C1 C16125 [1,0,0,0,1,0|1,0,0]=3 142 B7R1.4 CN1N=CC=C1O AT12748 [1,0,0,0,1,0|2,0,0]=4