0 B11R1.40 C#CC(O)CC1=CC=CC=C1 MC425691 [0,0,0,0,0,0|1,0,3]=4 1 B11R1.40 CCC(=O)CC1=CC=CC=C1 MC41289 [0,0,0,0,0,0|1,0,0]=1 2 B11R1.40 COC(=O)CC1=CC=CN=N1 MC103761 [0,0,0,0,0,0|2,0,0]=2 3 B11R1.40 COC(=O)CC1=CN=NC=C1 MC101903 [0,0,0,0,0,0|2,0,0]=2 4 B11R1.40 COC(=O)CC1=NC=NC=C1 MC104059 [0,0,0,0,0,0|2,0,0]=2 5 B11R1.40 NC(CO)CC1=CC=CC=C1 CS21216 [0,0,0,0,0,0|3,0,1]=4 6 B11R1.40 NC(CO)CC1=CC=CC=C1 MC425862 [0,0,0,0,0,0|3,0,1]=4 7 B11R1.40 NNC(=O)CC1=CC=NC=C1 CS21751 [0,0,0,0,0,0|3,0,0]=3 8 B11R1.40 O=C(CO)CC1=CC=CC=C1 MC107738 [0,0,0,0,0,0|2,0,0]=2 9 B10R1.17 Br[Zn]CCc1ccccc1 MC121341 [1,0,0,0,0,0|2,0,1]=4 10 B10R1.17 CNCCC1=CC=CC=C1 MC446670 [1,0,0,0,0,0|1,0,1]=3 11 B10R1.17 ClC\C=C\C1=CC=CC=C1 MC41818 [1,0,0,0,0,0|2,0,1]=4 12 B10R1.17 NOCCC1=CC=NC=C1 MC427573 [1,0,0,0,0,0|2,0,1]=4 13 B10R1.18 BrC(Br)=CC1=CC=CC=C1 CS16193 [1,0,0,0,0,0|2,0,1]=4 14 B10R1.18 CC(=O)CC1=CC=CN=C1 MC102696 [1,0,0,0,0,0|1,0,0]=2 15 B10R1.18 CC(=O)CC1=CC=NC=C1 CS20988 [1,0,0,0,0,0|1,0,0]=2 16 B10R1.18 CC(=O)CC1=NC=CC=C1 CS20802 [1,0,0,0,0,0|1,0,0]=2 17 B10R1.18 CC(=O)CC1=NC=CC=N1 MC429990 [1,0,0,0,0,0|2,0,0]=3 18 B10R1.18 CC(=O)NC1=CC=CC=C1 MC34102 [1,0,0,0,0,0|1,0,0]=2 19 B10R1.18 CC(Br)CC1=CC=CC=C1 MC41813 [1,0,0,0,0,0|1,0,1]=3 20 B10R1.18 CC(C)NC1=CC=CC=C1 CS11787 [1,0,0,0,0,0|2,0,1]=4 21 B10R1.18 CC(C)OC1=CC=CC=C1 MC41360 [1,0,0,0,0,0|2,0,1]=4 22 B10R1.18 NC(=O)CC1=NC=CC=N1 CS17323 [1,0,0,0,0,0|3,0,0]=4 23 B10R1.18 NC(=O)NC1=CC=CC=C1 CS10533 [1,0,0,0,0,0|2,0,0]=3 24 B10R1.18 NC(=O)OC1=CC=CC=C1 MC428148 [1,0,0,0,0,0|2,0,0]=3 25 B10R1.18 O=C(Cl)OC1=CC=CC=C1 CS18823 [1,0,0,0,0,0|2,0,0]=3 26 B10R1.18 O=C(O)CC1=CC=CN=C1 CS20325 [1,0,0,0,0,0|1,0,0]=2 27 B10R1.18 O=C(O)CC1=CC=CN=N1 MC103920 [1,0,0,0,0,0|2,0,0]=3 28 B10R1.18 O=C(O)CC1=CC=NC=C1 CS20327 [1,0,0,0,0,0|1,0,0]=2 29 B10R1.18 O=C(O)CC1=CC=NC=C1 MC41632 [1,0,0,0,0,0|1,0,0]=2 30 B10R1.18 O=C(O)CC1=CN=CN=C1 CS10494 [1,0,0,0,0,0|2,0,0]=3 31 B10R1.18 O=C(O)CC1=CN=NC=C1 MC103838 [1,0,0,0,0,0|2,0,0]=3 32 B10R1.18 O=C(O)CC1=NC=CC=C1 MC41631 [1,0,0,0,0,0|1,0,0]=2 33 B10R1.18 O=C(O)CC1=NC=CC=N1 MC102381 [1,0,0,0,0,0|2,0,0]=3 34 B10R1.18 O=C(O)CC1=NC=NC=C1 MC113226 [1,0,0,0,0,0|2,0,0]=3 35 B10R1.18 O=C([O-])CC1=CC=CC=C1 MC34448 [1,0,0,0,0,0|0,0,1]=2 36 B10R1.18 O=C([O-])CC1=CN=NC=C1 MC103839 [1,0,0,0,0,0|2,0,1]=4 37 B12R1.32 CCNC(=S)NC1=CC=CC=C1 MC427354 [0,1,0,0,0,0|2,1,0]=4 38 B12R1.32 CCOC(=O)CC1=NC=CC=C1 MC41619 [0,1,0,0,0,0|1,0,0]=2 39 B12R1.32 CCOC(=O)CC1=NC=CC=N1 CS12227 [0,1,0,0,0,0|2,0,0]=3 40 B12R1.32 CN(CCO)CC1=CC=CC=C1 CS11755 [0,1,0,0,0,0|3,0,0]=4 41 B12R1.32 N#CCC(=O)NC1=CC=CC=C1 MC40795 [0,1,0,0,0,0|2,0,1]=4 42 B12R1.34 CN(C(=O)CN)C1=CC=CC=C1 MC111794 [0,1,0,0,0,0|3,0,0]=4 43 B12R1.34 COC(=O)C(=O)C1=CC=CC=C1 MC20896 [0,1,0,0,0,0|0,0,1]=2 44 B12R1.34 COC(=O)C(N)C1=CC=CC=C1 CS13901 [0,1,0,0,0,0|0,0,0]=1 45 B12R1.34 COC(=O)C(N)C1=CC=CC=C1 CS21181 [0,1,0,0,0,0|0,0,0]=1 46 B12R1.34 COC(=O)C(N)C1=NC=CC=C1 CS17643 [0,1,0,0,0,0|1,0,0]=2 47 B12R1.34 COC(=O)C(O)C1=CC=CC=C1 CS18861 [0,1,0,0,0,0|0,0,0]=1 48 B12R1.34 COC(=O)C(O)C1=CC=CC=C1 CS21098 [0,1,0,0,0,0|0,0,0]=1 49 B12R1.43 C=C(CC1=CC=CC=C1)C(=O)O MC445160 [0,1,0,0,0,0|3,0,0]=4 50 B12R1.49 COC(=O)CC1=CC=C(Br)C=C1 MC33263 [0,1,0,0,0,0|0,0,0]=1 51 B12R1.49 COC(=O)CC1=CC=C(C)C=C1 MC40116 [0,1,0,0,0,0|0,0,0]=1 52 B12R1.49 COC(=O)CC1=CC=C(Cl)C=C1 MC40088 [0,1,0,0,0,0|0,0,0]=1 53 B12R1.49 COC(=O)CC1=CC=C(F)N=C1 MC429489 [0,1,0,0,0,0|1,0,0]=2 54 B12R1.49 COC(=O)CC1=CC=C(N)N=C1 MC431366 [0,1,0,0,0,0|1,0,0]=2 55 B12R1.49 COC(=O)CC1=CC=C(O)C=C1 CS21113 [0,1,0,0,0,0|0,0,0]=1 56 B12R1.49 NNC(=O)CC1=CC=C(Cl)N=C1 MC430435 [0,1,0,0,0,0|3,0,0]=4 57 B12R1.50 C=CC(=O)NC1=CC(N)=CC=C1 MC107629 [0,1,0,0,0,0|2,0,1]=4 58 B12R1.50 CCC(=O)NC1=CC(Br)=CN=C1 MC103001 [0,1,0,0,0,0|3,0,0]=4 59 B12R1.50 CCC(=O)NC1=CC(N)=CC=C1 CS21194 [0,1,0,0,0,0|2,0,0]=3 60 B12R1.50 COC(=O)CC1=CC(Br)=CC=C1 CS20169 [0,1,0,0,0,0|0,0,0]=1 61 B12R1.50 COC(=O)CC1=CC(F)=CC=C1 MC433952 [0,1,0,0,0,0|0,0,0]=1 62 B12R1.50 COC(=O)CC1=CC(N)=CC=C1 CS15979 [0,1,0,0,0,0|0,0,0]=1 63 B12R1.50 COC(=O)CC1=CC(N)=CC=C1 MC40063 [0,1,0,0,0,0|0,0,0]=1 64 B12R1.50 COC(=O)CC1=CC(O)=CC=C1 CS22324 [0,1,0,0,0,0|0,0,0]=1 65 B12R1.50 NNC(=O)CC1=CC(Br)=CC=C1 MC111969 [0,1,0,0,0,0|2,0,0]=3 66 B12R1.194 CNC(C)(C)CC1=CC=CC=C1 MC34003 [0,1,0,0,0,0|2,0,1]=4 67 B12R1.194 CNC(C)(C)CC1=CC=CC=C1 MC34004 [0,1,0,0,0,0|2,0,1]=4 68 B12R1.371 COC(=O)CC1=C(Br)C=CC=C1 CS11591 [0,1,0,0,0,0|0,0,0]=1 69 B12R1.371 COC(=O)CC1=C(Cl)C=CC=C1 CS21677 [0,1,0,0,0,0|0,0,0]=1 70 B12R1.371 COC(=O)CC1=C(N)C=CC=C1 CS11582 [0,1,0,0,0,0|0,0,0]=1 71 B12R1.371 COC(=O)CC1=C(O)C=CC=C1 CS20138 [0,1,0,0,0,0|0,0,0]=1 72 B12R2.18 CC1=CC2=CC=CC=C2N1C CS10010 [0,0,0,1,0,0|2,0,1]=4 73 B12R2.18 CN1C(=O)NC2=CC=CN=C21 MC427257 [0,0,0,1,0,0|3,0,0]=4 74 B12R2.18 CN1C(=O)OC2=C1C=CC=C2 MC10211 [0,0,0,1,0,0|2,0,0]=3 75 B12R2.18 CN1C(N)=CC2=CC=CC=C21 MC106654 [0,0,0,1,0,0|2,0,1]=4 76 B12R2.18 O=C1NC2=CC=CC=C2C1=O CS11506 [0,0,0,1,0,0|3,0,0]=4 77 B12R2.23 O=C1CCC1C2=CC=CC=C2 MC104226 [0,0,0,1,0,0|1,0,0]=2 78 B12R2.24 CN1CCC2=CC=CC=C2C1 CS16157 [0,0,0,1,0,0|3,0,0]=4 79 B12R2.24 NC1CCC2=CC=CC=C2C1 CS18799 [0,0,0,1,0,0|2,0,1]=4 80 B12R2.24 NC1CCC2=CC=CC=C2C1 MC106682 [0,0,0,1,0,0|2,0,1]=4 81 B12R2.24 NC1CCC2=CC=CC=C2C1 MC106683 [0,0,0,1,0,0|2,0,1]=4 82 B12R2.24 NN1CCC2=CC=CC=C2C1 MC442441 [0,0,0,1,0,0|3,0,0]=4 83 B12R2.24 O=C1C=C2C=CC=CC2=NN1 CS16596 [0,0,0,1,0,0|2,0,1]=4 84 B12R2.24 O=C1CCC2=C(C=CC=C2)C1 MC440135 [0,0,0,1,0,0|1,0,0]=2 85 B12R2.24 O=C1CCC2=CC=CC=C2N1 CS11038 [0,0,0,1,0,0|2,0,0]=3 86 B12R2.24 O=C1CCC2=CC=CN=C2N1 MC113033 [0,0,0,1,0,0|3,0,0]=4 87 B12R2.24 O=C1CCC2=CN=CC=C2N1 MC105357 [0,0,0,1,0,0|3,0,0]=4 88 B12R2.24 O=C1CCc2ccccc2O1 MC41795 [0,0,0,1,0,0|2,0,0]=3 89 B12R2.24 O=C1COC2=C(C=CC=C2)N1 CS21568 [0,0,0,1,0,0|3,0,0]=4 90 B12R2.24 O=C1CSC2=CC=CC=C2C1 MC107174 [0,0,0,1,0,0|2,0,0]=3 91 B12R2.32 CCC1=NC2=C(C=CC=C2)N1 CS18815 [0,0,0,1,0,0|3,0,0]=4 92 B12R2.32 CSC1=NC2=C(C=CC=C2)O1 MC31049 [0,0,0,1,0,0|1,1,1]=4 93 B12R2.32 CSC1=NC2=C(C=CC=C2)S1 MC31173 [0,0,0,1,0,0|1,2,0]=4 94 B10R1.15 C=C(C#N)C1=CC=CC=C1 MC106124 [0,0,0,0,1,0|3,0,0]=4 95 B10R1.15 C=C(CBr)C1=CC=CC=C1 CS20091 [0,0,0,0,1,0|3,0,0]=4 96 B10R1.15 CCC(C)C1=CC=CC=C1 CS11947 [0,0,0,0,1,0|2,0,1]=4 97 B10R1.15 CCC(C)C1=CC=CC=C1 MC433489 [0,0,0,0,1,0|2,0,1]=4 98 B10R1.15 CCC(N)C1=CC=CC=C1 MC20337 [0,0,0,0,1,0|2,0,1]=4 99 B10R1.15 COC(=N)C1=NC=CC=C1 MC106728 [0,0,0,0,1,0|2,0,0]=3 100 B10R1.15 COC(=O)C1=CC=CC=C1 MC40065 [0,0,0,0,1,0|0,0,0]=1 101 B10R1.15 COC(=O)C1=CC=CN=N1 MC444561 [0,0,0,0,1,0|2,0,0]=3 102 B10R1.15 COC(=O)C1=CC=NC=C1 CS18945 [0,0,0,0,1,0|1,0,0]=2 103 B10R1.15 COC(=O)C1=CN=CC=C1 CS19425 [0,0,0,0,1,0|1,0,0]=2 104 B10R1.15 COC(=O)C1=CN=CN=C1 MC444563 [0,0,0,0,1,0|2,0,0]=3 105 B10R1.15 COC(=O)C1=CN=NC=C1 CS13474 [0,0,0,0,1,0|2,0,0]=3 106 B10R1.15 COC(=O)C1=NC=CC=C1 CS19684 [0,0,0,0,1,0|1,0,0]=2 107 B10R1.15 COC(=O)C1=NC=CC=N1 CS19792 [0,0,0,0,1,0|2,0,0]=3 108 B10R1.15 COC(=O)C1=NC=NC=C1 MC444562 [0,0,0,0,1,0|2,0,0]=3 109 B10R1.15 NCC(=O)C1=CC=CC=C1 CS10874 [0,0,0,0,1,0|2,0,0]=3 110 B10R1.15 NCC(=O)C1=NC=CC=C1 MC33498 [0,0,0,0,1,0|3,0,0]=4 111 B10R1.15 NNC(=O)C1=CC=CC=C1 CS10971 [0,0,0,0,1,0|2,0,0]=3 112 B10R1.15 NNC(=O)C1=CN=CC=C1 CS19488 [0,0,0,0,1,0|3,0,0]=4 113 B10R1.15 NNC(=O)c1ccncc1 MC445177 [0,0,0,0,1,0|3,0,0]=4 114 B10R1.15 O=C(CBr)C1=CC=CC=C1 CS19274 [0,0,0,0,1,0|2,0,0]=3 115 B10R1.15 O=C(CBr)C1=CC=CN=C1 MC42216 [0,0,0,0,1,0|3,0,0]=4 116 B10R1.15 O=C(CBr)C1=CC=NC=C1 CS20175 [0,0,0,0,1,0|3,0,0]=4 117 B10R1.15 O=C(CCl)C1=CC=CC=C1 MC20159 [0,0,0,0,1,0|2,0,0]=3 118 B10R1.15 O=C(CI)C1=CC=CC=C1 MC433244 [0,0,0,0,1,0|2,0,0]=3 119 B10R1.27 COC(=O)CC1=CNC=N1 MC431278 [0,0,0,0,1,0|2,0,0]=3 120 B12R1.27 COC(=O)CCC1=CC=CC=C1 MC433965 [0,0,0,0,0,1|0,0,0]=1 121 B12R1.27 NCC(=O)OCC1=CC=CC=C1 MC428105 [0,0,0,0,0,1|2,0,0]=3 122 B12R1.27 NCC(=O)OCc1ccccc1 MC437714 [0,0,0,0,0,1|2,0,0]=3 123 B12R1.27 NCC(=O)OCc1ccccc1 MC437715 [0,0,0,0,0,1|2,0,0]=3 124 B12R1.27 NNC(=O)OCC1=CC=CC=C1 CS20449 [0,0,0,0,0,1|2,0,0]=3 125 B12R1.27 NNC(=O)OCc1ccccc1 MC438484 [0,0,0,0,0,1|2,0,0]=3 126 B12R1.27 O=C(CBr)OCC1=CC=CC=C1 CS19947 [0,0,0,0,0,1|2,0,0]=3 127 B9R1.8 BrCCC1=CC=CC=C1 MC40571 [2,0,0,0,0,0|1,0,1]=4 128 B9R1.8 Br[Zn]Cc1ccccc1 MC121333 [2,0,0,0,0,0|2,0,0]=4 129 B9R1.8 CCCC1=CC=CN=C1 CS22402 [2,0,0,0,0,0|1,0,1]=4 130 B9R1.8 CCNC1=CC=CC=C1 MC40913 [2,0,0,0,0,0|1,0,1]=4 131 B9R1.8 CNCC1=CC=CC=C1 MC10559 [2,0,0,0,0,0|1,0,0]=3 132 B9R1.8 CNCC1=CC=CC=C1 MC20323 [2,0,0,0,0,0|1,0,0]=3 133 B9R1.8 CNCC1=CC=CC=C1 MC21006 [2,0,0,0,0,0|1,0,0]=3 134 B9R1.8 CNCC1=CC=CN=C1 CS18846 [2,0,0,0,0,0|2,0,0]=4 135 B9R1.8 COCC1=NC=CC=C1 CS20909 [2,0,0,0,0,0|1,0,0]=3 136 B9R1.8 ClCCC1=CC=CC=C1 MC40609 [2,0,0,0,0,0|1,0,1]=4 137 B9R1.8 FCCC1=CC=CC=C1 MC41557 [2,0,0,0,0,0|1,0,1]=4 138 B9R1.8 NCCC1=CC=CC=C1 MC40983 [2,0,0,0,0,0|1,0,1]=4 139 B9R1.8 NNCC1=CC=CC=C1 CS11006 [2,0,0,0,0,0|2,0,0]=4 140 B9R1.8 NNCC1=CC=CC=C1 CS12127 [2,0,0,0,0,0|2,0,0]=4 141 B9R1.8 NOCC1=CC=CC=C1 CS14063 [2,0,0,0,0,0|1,0,0]=3 142 B9R1.8 O=C=NC1=CC=CC=C1 MC41051 [2,0,0,0,0,0|1,0,1]=4 143 B9R1.8 O=CCC1=CC=CN=C1 MC106360 [2,0,0,0,0,0|1,0,0]=3 144 B9R1.8 O=CCC1=CC=NC=C1 MC106357 [2,0,0,0,0,0|1,0,0]=3 145 B9R1.8 O=CCC1=NC=CC=N1 MC105911 [2,0,0,0,0,0|2,0,0]=4 146 B9R1.8 O=CNC1=CC=CC=C1 MC40924 [2,0,0,0,0,0|1,0,0]=3 147 B9R1.8 O=COC1=CC=CC=C1 MC40136 [2,0,0,0,0,0|1,0,0]=3 148 B9R1.8 OCCC1=CC=CC=C1 MC40745 [2,0,0,0,0,0|0,0,1]=3 149 B9R1.8 ONCC1=CC=CC=C1 CS11753 [2,0,0,0,0,0|1,0,0]=3 150 B11R1.1 CCOCC1=CC=C(O)C=C1 CS16541 [1,1,0,0,0,0|2,0,0]=4 151 B11R1.1 CNCCC1=CC=C(N)C=C1 MC40974 [1,1,0,0,0,0|1,0,1]=4 152 B11R1.1 CNCCC1=CC=C(O)C=C1 MC426074 [1,1,0,0,0,0|1,0,1]=4 153 B11R1.1 COCCC1=CC=C(O)C=C1 MC445496 [1,1,0,0,0,0|0,0,1]=3 154 B11R1.16 CNCC(C)C1=CC=CC=C1 MC446681 [1,1,0,0,0,0|1,0,1]=4 155 B11R1.16 CNCC(O)C1=CC=CC=C1 MC446674 [1,1,0,0,0,0|1,0,1]=4 156 B11R1.28 BrCCOCC1=CC=CC=C1 CS10998 [1,1,0,0,0,0|2,0,0]=4 157 B11R1.28 CNCCCC1=CC=CC=C1 MC425598 [1,1,0,0,0,0|1,0,1]=4 158 B11R1.28 NCCOCC1=CC=CC=C1 CS20892 [1,1,0,0,0,0|2,0,0]=4 159 B11R1.28 OCCCCC1=CC=CC=C1 CS11170 [1,1,0,0,0,0|1,0,1]=4 160 B11R1.28 OCCOCC1=CC=CC=C1 MC20071 [1,1,0,0,0,0|2,0,0]=4 161 B11R1.91 CN(C)CCC1=CC=CC=C1 MC446671 [1,1,0,0,0,0|1,0,1]=4 162 B11R1.20 CC(=O)CC1=CC=C(Cl)C=C1 MC10315 [1,1,0,0,0,0|0,0,0]=2 163 B11R1.20 CC(=O)CC1=CC=C(F)C=C1 CS22844 [1,1,0,0,0,0|0,0,0]=2 164 B11R1.20 CC(=O)NC1=CC=C(C)C=C1 MC428013 [1,1,0,0,0,0|1,0,0]=3 165 B11R1.20 CC(=O)NC1=CC=C(F)C=C1 MC33116 [1,1,0,0,0,0|1,0,0]=3 166 B11R1.20 CC(=O)NC1=NC=C(Br)C=C1 CS19283 [1,1,0,0,0,0|2,0,0]=4 167 B11R1.20 CC(=O)OC1=CC=C(Br)C=C1 MC40002 [1,1,0,0,0,0|1,0,0]=3 168 B11R1.20 CC(=O)OC1=CC=C(F)C=C1 MC20138 [1,1,0,0,0,0|1,0,0]=3 169 B11R1.20 CC(=O)OC1=CC=C(I)C=C1 MC103137 [1,1,0,0,0,0|1,0,0]=3 170 B11R1.20 CC(C)CC1=CC=C(Br)C=C1 MC433485 [1,1,0,0,0,0|1,0,1]=4 171 B11R1.20 CC1=CC=C(CC(=O)O)C=C1 CS21084 [1,1,0,0,0,0|0,0,0]=2 172 B11R1.20 CC1=CC=C(CC(=O)O)C=N1 MC429948 [1,1,0,0,0,0|1,0,0]=3 173 B11R1.20 CC1=CN=C(CC(=O)O)C=C1 CS14692 [1,1,0,0,0,0|1,0,0]=3 174 B11R1.20 NC1=CC=C(CC(=O)O)C=C1 CS21002 [1,1,0,0,0,0|0,0,0]=2 175 B11R1.20 NC1=CN=C(CC(=O)O)N=C1 MC444153 [1,1,0,0,0,0|2,0,0]=4 176 B11R1.20 O=C(Cl)Oc1ccc(Br)cc1 MC434070 [1,1,0,0,0,0|2,0,0]=4 177 B11R1.20 O=C(Cl)Oc1ccc(F)cc1 MC434069 [1,1,0,0,0,0|2,0,0]=4 178 B11R1.20 O=C(O)CC1=CC=C(Br)C=C1 CS20812 [1,1,0,0,0,0|0,0,0]=2 179 B11R1.20 O=C(O)CC1=CC=C(Cl)C=C1 MC40158 [1,1,0,0,0,0|0,0,0]=2 180 B11R1.20 O=C(O)CC1=CC=C(F)C=C1 CS10817 [1,1,0,0,0,0|0,0,0]=2 181 B11R1.20 O=C(O)CC1=CC=C(F)N=C1 MC429488 [1,1,0,0,0,0|1,0,0]=3 182 B11R1.20 O=C(O)CC1=CC=C(I)C=C1 CS20852 [1,1,0,0,0,0|0,0,0]=2 183 B11R1.20 O=C(O)CC1=CC=C(O)C=C1 MC40180 [1,1,0,0,0,0|0,0,0]=2 184 B11R1.20 O=C(O)CC1=CC=C(S)C=C1 MC40184 [1,1,0,0,0,0|0,0,0]=2 185 B11R1.20 O=C(O)CC1=NC=C(Br)C=C1 CS13319 [1,1,0,0,0,0|1,0,0]=3 186 B11R1.20 O=C(O)CC1=NC=C(Br)C=N1 CS12143 [1,1,0,0,0,0|2,0,0]=4 187 B11R1.20 O=C(O)CC1=NC=C(Cl)C=C1 CS14073 [1,1,0,0,0,0|1,0,0]=3 188 B11R1.20 O=C(O)CC1=NC=C(F)C=N1 CS14652 [1,1,0,0,0,0|2,0,0]=4 189 B11R1.36 C=C(C(=O)O)C1=CC=CC=C1 CS19083 [1,1,0,0,0,0|0,0,1]=3 190 B11R1.36 CC(C(=O)O)C1=CC=CC=C1 CS10890 [1,1,0,0,0,0|0,0,0]=2 191 B11R1.36 CC(C(=O)O)C1=CC=CC=C1 CS14544 [1,1,0,0,0,0|0,0,0]=2 192 B11R1.36 NC(=O)C(N)C1=CC=CC=C1 CS15488 [1,1,0,0,0,0|1,0,0]=3 193 B11R1.36 NC(=O)C(N)c1ccccc1 MC438104 [1,1,0,0,0,0|1,0,0]=3 194 B11R1.36 NC(C(=O)Cl)C1=CC=CC=C1 CS15858 [1,1,0,0,0,0|1,0,0]=3 195 B11R1.36 NC(C(=O)O)C1=CC=CC=C1 CS11192 [1,1,0,0,0,0|0,0,0]=2 196 B11R1.36 NC(C(=O)O)C1=CC=CC=C1 CS14083 [1,1,0,0,0,0|0,0,0]=2 197 B11R1.36 NC(C(=O)O)c1ccccc1 MC438102 [1,1,0,0,0,0|0,0,0]=2 198 B11R1.36 NC(C(=O)O)c1ccccc1 MC438103 [1,1,0,0,0,0|0,0,0]=2 199 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 CS10861 [1,1,0,0,0,0|0,0,0]=2 200 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 CS10862 [1,1,0,0,0,0|0,0,0]=2 201 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 CS15279 [1,1,0,0,0,0|0,0,0]=2 202 B11R1.86 CC(=O)CC1=C(Cl)C=CC=C1 MC10294 [1,1,0,0,0,0|0,0,0]=2 203 B11R1.86 CC(=O)CC1=C(F)C=CC=C1 MC10318 [1,1,0,0,0,0|0,0,0]=2 204 B11R1.86 CC(=O)NC1=C(Br)C=CC=C1 MC427446 [1,1,0,0,0,0|1,0,0]=3 205 B11R1.86 CC(=O)NC1=C(O)C=CC=C1 CS21203 [1,1,0,0,0,0|1,0,0]=3 206 B11R1.86 CC(=O)NC1=NC=CC=C1O MC427313 [1,1,0,0,0,0|2,0,0]=4 207 B11R1.86 CC(=O)OC1=C(C)C=CC=C1 MC40007 [1,1,0,0,0,0|1,0,0]=3 208 B11R1.86 CC(=S)NC1=C(Br)C=CC=C1 MC427451 [1,1,0,0,0,0|1,1,0]=4 209 B11R1.86 CC1=C(CC(=O)O)C=CC=C1 CS21083 [1,1,0,0,0,0|0,0,0]=2 210 B11R1.86 NC1=C(CC(=O)O)C=CC=C1 CS20995 [1,1,0,0,0,0|0,0,0]=2 211 B11R1.86 NC1=C(CC(=O)O)C=NC=C1 MC111253 [1,1,0,0,0,0|1,0,0]=3 212 B11R1.86 NC1=[N+](CC(=O)[O-])C=CC=C1 CS18077 [1,1,0,0,0,0|1,0,1]=4 213 B11R1.86 O=C(O)CC1=C(Br)C=CC=C1 CS20809 [1,1,0,0,0,0|0,0,0]=2 214 B11R1.86 O=C(O)CC1=C(Cl)C=CC=C1 CS20826 [1,1,0,0,0,0|0,0,0]=2 215 B11R1.86 O=C(O)CC1=C(F)C=CC=C1 MC429403 [1,1,0,0,0,0|0,0,0]=2 216 B11R1.86 O=C(O)CC1=C(I)C=CC=C1 CS20849 [1,1,0,0,0,0|0,0,0]=2 217 B11R1.86 O=C(O)CC1=C(O)C=CC=C1 CS20941 [1,1,0,0,0,0|0,0,0]=2 218 B11R1.86 O=C(O)CC1=CC=CN=C1F MC429275 [1,1,0,0,0,0|1,0,0]=3 219 B11R1.86 O=C(O)CC1=CC=CNC1=O MC430201 [1,1,0,0,0,0|1,0,0]=3 220 B11R1.86 O=C(O)CC1=NC=CC=C1Cl CS19561 [1,1,0,0,0,0|1,0,0]=3 221 B11R1.86 O=C(O)CC1=NC=CC=C1F MC431700 [1,1,0,0,0,0|1,0,0]=3 222 B11R1.86 O=C(O)CC1=NC=CC=C1F MC432211 [1,1,0,0,0,0|1,0,0]=3 223 B11R1.86 O=C(O)CC1=NC=CN=C1Cl MC104770 [1,1,0,0,0,0|2,0,0]=4 224 B11R1.157 CC(=O)CC1=CC(Br)=CC=C1 CS22187 [1,1,0,0,0,0|0,0,0]=2 225 B11R1.157 CC(=O)NC1=CC(Cl)=NC=C1 CS11707 [1,1,0,0,0,0|2,0,0]=4 226 B11R1.157 CC(=O)NC1=CC(F)=CC=C1 MC33114 [1,1,0,0,0,0|1,0,0]=3 227 B11R1.157 CC(=O)NC1=CC(N)=CC=C1 CS22093 [1,1,0,0,0,0|1,0,0]=3 228 B11R1.157 CC(=O)NC1=NC=CC(Br)=C1 CS16776 [1,1,0,0,0,0|2,0,0]=4 229 B11R1.157 CC(=O)NC1=NC=CC(Cl)=C1 CS11715 [1,1,0,0,0,0|2,0,0]=4 230 B11R1.157 CC(=O)OC1=CC(Br)=CC=C1 MC40001 [1,1,0,0,0,0|1,0,0]=3 231 B11R1.157 CC(=O)OC1=CC(C)=CC=C1 MC40008 [1,1,0,0,0,0|1,0,0]=3 232 B11R1.157 CC(=O)OC1=CC(F)=CC=C1 MC40004 [1,1,0,0,0,0|1,0,0]=3 233 B11R1.157 CC(C)CC1=CC=CC(Br)=C1 MC443308 [1,1,0,0,0,0|1,0,1]=4 234 B11R1.157 CC1=CC(CC(=O)O)=NC=C1 MC431740 [1,1,0,0,0,0|1,0,0]=3 235 B11R1.157 CC1=CC=CC(CC(=O)[O-])=N1 MC113627 [1,1,0,0,0,0|1,0,1]=4 236 B11R1.157 CN(C)CC1=CC=CC(O)=C1 MC425485 [1,1,0,0,0,0|2,0,0]=4 237 B11R1.157 Cc1cccc(CC(=O)O)c1 MC433961 [1,1,0,0,0,0|0,0,0]=2 238 B11R1.157 NC1=CC=CC(CC(=O)O)=C1 CS21911 [1,1,0,0,0,0|0,0,0]=2 239 B11R1.157 O=C(O)CC1=CC(Br)=CC=C1 CS10775 [1,1,0,0,0,0|0,0,0]=2 240 B11R1.157 O=C(O)CC1=CC(Cl)=CC=C1 CS21923 [1,1,0,0,0,0|0,0,0]=2 241 B11R1.157 O=C(O)CC1=CC(F)=CC=C1 MC40173 [1,1,0,0,0,0|0,0,0]=2 242 B11R1.157 O=C(O)CC1=CC(F)=CN=C1 MC431564 [1,1,0,0,0,0|1,0,0]=3 243 B11R1.157 O=C(O)CC1=CC(F)=NC=C1 MC430121 [1,1,0,0,0,0|1,0,0]=3 244 B11R1.157 O=C(O)CC1=CC(I)=CC=C1 CS20851 [1,1,0,0,0,0|0,0,0]=2 245 B11R1.157 O=C(O)CC1=CC(O)=CC=C1 CS20944 [1,1,0,0,0,0|0,0,0]=2 246 B11R1.157 O=C(O)CC1=NC(Cl)=CC=C1 CS12801 [1,1,0,0,0,0|1,0,0]=3 247 B11R1.157 O=C(O)CC1=NC(Cl)=CN=C1 CS12495 [1,1,0,0,0,0|2,0,0]=4 248 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 CS11014 [1,1,0,0,0,0|2,0,0]=4 249 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 MC20424 [1,1,0,0,0,0|2,0,0]=4 250 B11R1.509 NS(=O)(=O)CC1=CC=CC=C1 CS20418 [1,1,0,0,0,0|1,0,1]=4 251 B11R1.509 O=S(=O)(Cl)CC1=CC=CC=C1 CS20295 [1,1,0,0,0,0|1,0,1]=4 252 B11R1.509 O=S(=O)(F)CC1=CC=CC=C1 MC428333 [1,1,0,0,0,0|1,0,1]=4 253 B11R1.12 COC(OC)c1ccccc1 CS10959 [0,1,0,0,1,0|0,0,2]=4 254 B11R1.12 COP(OC)C1=CC=CC=C1 MC444856 [0,1,0,0,1,0|1,0,1]=4 255 B11R1.22 CCC(=O)C1=CC=C(Br)C=C1 CS22698 [0,1,0,0,1,0|1,0,0]=3 256 B11R1.22 CCC(=O)C1=CC=C(Cl)C=C1 CS22795 [0,1,0,0,1,0|1,0,0]=3 257 B11R1.22 CCC(=O)C1=CC=C(Cl)N=C1 CS20436 [0,1,0,0,1,0|2,0,0]=4 258 B11R1.22 CCC(=O)C1=CC=C(F)C=C1 CS22846 [0,1,0,0,1,0|1,0,0]=3 259 B11R1.22 CCC(=O)C1=CC=C(O)C=C1 CS15690 [0,1,0,0,1,0|1,0,0]=3 260 B11R1.22 CNC(=O)C1=CN=C(Cl)C=C1 MC33519 [0,1,0,0,1,0|2,0,0]=4 261 B11R1.22 COC(=O)C1=CC=C(Br)C=C1 CS15303 [0,1,0,0,1,0|0,0,0]=2 262 B11R1.22 COC(=O)C1=CC=C(Br)N=N1 CS15397 [0,1,0,0,1,0|2,0,0]=4 263 B11R1.22 COC(=O)C1=CC=C(C)C=C1 MC40114 [0,1,0,0,1,0|0,0,0]=2 264 B11R1.22 COC(=O)C1=CC=C(Cl)N=N1 CS11663 [0,1,0,0,1,0|2,0,0]=4 265 B11R1.22 COC(=O)C1=CC=C(F)C=C1 CS20841 [0,1,0,0,1,0|0,0,0]=2 266 B11R1.22 COC(=O)C1=CC=C(I)C=C1 CS20853 [0,1,0,0,1,0|0,0,0]=2 267 B11R1.22 COC(=O)C1=CC=C(N)C=C1 CS20990 [0,1,0,0,1,0|0,0,0]=2 268 B11R1.22 COC(=O)C1=CC=C(N)N=N1 MC444521 [0,1,0,0,1,0|2,0,0]=4 269 B11R1.22 COC(=O)C1=CC=C(O)C=C1 CS19446 [0,1,0,0,1,0|0,0,0]=2 270 B11R1.22 COC(=O)C1=CN=C(Br)C=C1 CS14052 [0,1,0,0,1,0|1,0,0]=3 271 B11R1.22 COC(=O)C1=CN=C(Br)N=C1 MC442840 [0,1,0,0,1,0|2,0,0]=4 272 B11R1.22 COC(=O)C1=CN=C(C)C=C1 CS10875 [0,1,0,0,1,0|1,0,0]=3 273 B11R1.22 COC(=O)C1=CN=C(Cl)N=C1 CS11603 [0,1,0,0,1,0|2,0,0]=4 274 B11R1.22 COC(=O)C1=CN=C(F)C=C1 CS13697 [0,1,0,0,1,0|1,0,0]=3 275 B11R1.22 COC(=O)C1=CN=C(N)C=C1 CS14193 [0,1,0,0,1,0|1,0,0]=3 276 B11R1.22 COC(=O)C1=CN=C(N)N=C1 CS12441 [0,1,0,0,1,0|2,0,0]=4 277 B11R1.22 COC(=O)C1=CN=C(O)C=C1 CS19248 [0,1,0,0,1,0|1,0,0]=3 278 B11R1.22 COC(=O)C1=CNC(=O)N=C1 MC443636 [0,1,0,0,1,0|2,0,0]=4 279 B11R1.22 COC(=O)C1=COC(=O)C=C1 CS19181 [0,1,0,0,1,0|1,0,0]=3 280 B11R1.22 COC(=O)C1=NC=C(Br)C=C1 CS14099 [0,1,0,0,1,0|1,0,0]=3 281 B11R1.22 COC(=O)C1=NC=C(Br)C=N1 CS12346 [0,1,0,0,1,0|2,0,0]=4 282 B11R1.22 COC(=O)C1=NC=C(Br)N=C1 CS11655 [0,1,0,0,1,0|2,0,0]=4 283 B11R1.22 COC(=O)C1=NC=C(C)C=C1 CS15553 [0,1,0,0,1,0|1,0,0]=3 284 B11R1.22 COC(=O)C1=NC=C(C)C=N1 MC115976 [0,1,0,0,1,0|2,0,0]=4 285 B11R1.22 COC(=O)C1=NC=C(Cl)N=C1 CS14158 [0,1,0,0,1,0|2,0,0]=4 286 B11R1.22 COC(=O)C1=NC=C(F)C=C1 CS16224 [0,1,0,0,1,0|1,0,0]=3 287 B11R1.22 COC(=O)C1=NC=C(N)C=C1 CS21755 [0,1,0,0,1,0|1,0,0]=3 288 B11R1.22 COC(=O)C1=NC=C(N)C=N1 MC103762 [0,1,0,0,1,0|2,0,0]=4 289 B11R1.22 COC(=O)C1=NC=C(N)C=N1 MC115672 [0,1,0,0,1,0|2,0,0]=4 290 B11R1.22 COC(=O)C1=NC=C(N)N=C1 MC444546 [0,1,0,0,1,0|2,0,0]=4 291 B11R1.22 COC(=O)C1=NC=C(O)C=C1 CS10406 [0,1,0,0,1,0|1,0,0]=3 292 B11R1.22 COC(=O)C1=NC=C(O)N=C1 CS19747 [0,1,0,0,1,0|2,0,0]=4 293 B11R1.22 COC(=O)C1=NNC(=O)C=C1 CS13480 [0,1,0,0,1,0|2,0,0]=4 294 B11R1.22 NCC(=O)C1=CC=C(Br)C=C1 CS10839 [0,1,0,0,1,0|2,0,0]=4 295 B11R1.22 NCC(=O)C1=CC=C(Cl)C=C1 CS20894 [0,1,0,0,1,0|2,0,0]=4 296 B11R1.22 NNC(=O)C1=CC=C(Br)C=C1 MC33165 [0,1,0,0,1,0|2,0,0]=4 297 B11R1.22 NNC(=O)C1=CC=C(Cl)C=C1 MC20179 [0,1,0,0,1,0|2,0,0]=4 298 B11R1.22 NNC(=O)C1=CC=C(F)C=C1 MC41002 [0,1,0,0,1,0|2,0,0]=4 299 B11R1.22 NNC(=O)C1=CC=C(I)C=C1 MC41004 [0,1,0,0,1,0|2,0,0]=4 300 B11R1.22 NNC(=O)C1=CC=C(O)C=C1 MC41003 [0,1,0,0,1,0|2,0,0]=4 301 B11R1.22 O=C(CBr)C1=CC=C(Br)C=C1 CS19445 [0,1,0,0,1,0|2,0,0]=4 302 B11R1.22 O=C(CBr)C1=CC=C(Cl)C=C1 MC433210 [0,1,0,0,1,0|2,0,0]=4 303 B11R1.22 O=C(CBr)C1=CC=C(F)C=C1 CS20678 [0,1,0,0,1,0|2,0,0]=4 304 B11R1.22 O=C(CBr)C1=CC=C(O)C=C1 CS10771 [0,1,0,0,1,0|2,0,0]=4 305 B11R1.22 O=C(CCl)C1=CC=C(Br)C=C1 CS14324 [0,1,0,0,1,0|2,0,0]=4 306 B11R1.22 O=C(CCl)C1=CC=C(F)C=C1 MC41236 [0,1,0,0,1,0|2,0,0]=4 307 B11R1.22 O=CC(=O)C1=CC=C(Br)C=C1 CS15989 [0,1,0,0,1,0|2,0,0]=4 308 B11R1.22 O=CC(=O)C1=CC=C(Br)C=C1 MC427408 [0,1,0,0,1,0|2,0,0]=4 309 B11R1.22 O=CC(=O)C1=CC=C(Cl)C=C1 CS20192 [0,1,0,0,1,0|2,0,0]=4 310 B11R1.22 O=CC(=O)C1=CC=C(O)C=C1 CS18120 [0,1,0,0,1,0|2,0,0]=4 311 B11R1.23 CCC(=O)C1=CC(Br)=CC=C1 MC41278 [0,1,0,0,1,0|1,0,0]=3 312 B11R1.23 CCC(=O)C1=CC(Cl)=CC=C1 MC41280 [0,1,0,0,1,0|1,0,0]=3 313 B11R1.23 CCC(=O)C1=CC(F)=CC=C1 MC41284 [0,1,0,0,1,0|1,0,0]=3 314 B11R1.23 CCC(=O)C1=CC(N)=CC=C1 MC433258 [0,1,0,0,1,0|1,0,0]=3 315 B11R1.23 CNC(=O)C1=NC=CC(Cl)=C1 CS18168 [0,1,0,0,1,0|2,0,0]=4 316 B11R1.23 COC(=O)C1=CC(=O)NC=C1 CS11585 [0,1,0,0,1,0|1,0,0]=3 317 B11R1.23 COC(=O)C1=CC(Br)=CC=C1 CS20038 [0,1,0,0,1,0|0,0,0]=2 318 B11R1.23 COC(=O)C1=CC(C)=CC=C1 MC40113 [0,1,0,0,1,0|0,0,0]=2 319 B11R1.23 COC(=O)C1=CC(Cl)=CC=C1 CS11622 [0,1,0,0,1,0|0,0,0]=2 320 B11R1.23 COC(=O)C1=CC(Cl)=NC=C1 CS18382 [0,1,0,0,1,0|1,0,0]=3 321 B11R1.23 COC(=O)C1=CC(F)=CC=C1 MC40102 [0,1,0,0,1,0|0,0,0]=2 322 B11R1.23 COC(=O)C1=CC(I)=CC=C1 CS19204 [0,1,0,0,1,0|0,0,0]=2 323 B11R1.23 COC(=O)C1=CC(N)=CC=C1 MC40055 [0,1,0,0,1,0|0,0,0]=2 324 B11R1.23 COC(=O)C1=CC(N)=NC=C1 CS19528 [0,1,0,0,1,0|1,0,0]=3 325 B11R1.23 COC(=O)C1=CC(N)=NC=C1 MC442551 [0,1,0,0,1,0|1,0,0]=3 326 B11R1.23 COC(=O)C1=CC(O)=CC=C1 CS13404 [0,1,0,0,1,0|0,0,0]=2 327 B11R1.23 COC(=O)C1=CC(S)=CC=C1 MC100369 [0,1,0,0,1,0|0,0,0]=2 328 B11R1.23 COC(=O)C1=CC(S)=NC=C1 MC430617 [0,1,0,0,1,0|1,0,0]=3 329 B11R1.23 COC(=O)C1=CC=CC(=O)N1 CS15010 [0,1,0,0,1,0|1,0,0]=3 330 B11R1.23 COC(=O)C1=CN=CC(Br)=C1 CS10403 [0,1,0,0,1,0|1,0,0]=3 331 B11R1.23 COC(=O)C1=CN=CC(C)=C1 CS11660 [0,1,0,0,1,0|1,0,0]=3 332 B11R1.23 COC(=O)C1=CN=CC(N)=C1 CS18261 [0,1,0,0,1,0|1,0,0]=3 333 B11R1.23 COC(=O)C1=CN=CC(O)=C1 CS11658 [0,1,0,0,1,0|1,0,0]=3 334 B11R1.23 COC(=O)C1=CN=NC(Cl)=C1 CS12304 [0,1,0,0,1,0|2,0,0]=4 335 B11R1.23 COC(=O)C1=NC(Br)=CC=C1 CS18917 [0,1,0,0,1,0|1,0,0]=3 336 B11R1.23 COC(=O)C1=NC(Br)=CN=C1 CS12870 [0,1,0,0,1,0|2,0,0]=4 337 B11R1.23 COC(=O)C1=NC(Br)=NC=C1 CS15709 [0,1,0,0,1,0|2,0,0]=4 338 B11R1.23 COC(=O)C1=NC(C)=CC=C1 CS12275 [0,1,0,0,1,0|1,0,0]=3 339 B11R1.23 COC(=O)C1=NC(C)=CN=C1 MC110937 [0,1,0,0,1,0|2,0,0]=4 340 B11R1.23 COC(=O)C1=NC(C)=NC=C1 CS15096 [0,1,0,0,1,0|2,0,0]=4 341 B11R1.23 COC(=O)C1=NC(Cl)=CC=C1 CS10671 [0,1,0,0,1,0|1,0,0]=3 342 B11R1.23 COC(=O)C1=NC(Cl)=CN=C1 CS12231 [0,1,0,0,1,0|2,0,0]=4 343 B11R1.23 COC(=O)C1=NC(Cl)=NC=C1 CS12287 [0,1,0,0,1,0|2,0,0]=4 344 B11R1.23 COC(=O)C1=NC(N)=CC=C1 CS10610 [0,1,0,0,1,0|1,0,0]=3 345 B11R1.23 COC(=O)C1=NC(N)=NC=C1 CS15550 [0,1,0,0,1,0|2,0,0]=4 346 B11R1.23 COC(=O)C1=NC=CC(Br)=C1 CS18223 [0,1,0,0,1,0|1,0,0]=3 347 B11R1.23 COC(=O)C1=NC=CC(Br)=N1 MC431545 [0,1,0,0,1,0|2,0,0]=4 348 B11R1.23 COC(=O)C1=NC=CC(C)=C1 MC431617 [0,1,0,0,1,0|1,0,0]=3 349 B11R1.23 COC(=O)C1=NC=CC(C)=N1 CS12268 [0,1,0,0,1,0|2,0,0]=4 350 B11R1.23 COC(=O)C1=NC=CC(Cl)=C1 CS14005 [0,1,0,0,1,0|1,0,0]=3 351 B11R1.23 COC(=O)C1=NC=CC(Cl)=N1 MC431559 [0,1,0,0,1,0|2,0,0]=4 352 B11R1.23 COC(=O)C1=NC=CC(F)=C1 MC430081 [0,1,0,0,1,0|1,0,0]=3 353 B11R1.23 NNC(=O)C1=CC(F)=CC=C1 MC429588 [0,1,0,0,1,0|2,0,0]=4 354 B11R1.23 O=C(CBr)C1=CC(Br)=CC=C1 MC41245 [0,1,0,0,1,0|2,0,0]=4 355 B11R1.23 O=C(CBr)C1=CC(Cl)=CC=C1 CS19056 [0,1,0,0,1,0|2,0,0]=4 356 B11R1.23 O=C(CBr)C1=CC(F)=CC=C1 CS15383 [0,1,0,0,1,0|2,0,0]=4 357 B11R1.23 O=C(CBr)C1=CC(O)=CC=C1 MC433217 [0,1,0,0,1,0|2,0,0]=4 358 B11R1.23 O=C(CCl)C1=CC(Cl)=CC=C1 MC20163 [0,1,0,0,1,0|2,0,0]=4 359 B11R1.23 O=C(OO)C1=CC(Cl)=CC=C1 MC20584 [0,1,0,0,1,0|1,0,0]=3 360 B11R1.222 CCC(=O)C1=C(Cl)C=CC=C1 CS15813 [0,1,0,0,1,0|1,0,0]=3 361 B11R1.222 CCC(=O)C1=C(N)C=CC=C1 MC430440 [0,1,0,0,1,0|1,0,0]=3 362 B11R1.222 CCC(=O)C1=CC=CN=C1N MC429975 [0,1,0,0,1,0|2,0,0]=4 363 B11R1.222 CNC(=O)C1=C(N)C=CC=C1 CS20442 [0,1,0,0,1,0|1,0,0]=3 364 B11R1.222 CNC(=O)C1=C(S)C=CC=C1 MC42220 [0,1,0,0,1,0|1,0,0]=3 365 B11R1.222 COC(=O)C1=C(Br)C=CC=C1 MC20192 [0,1,0,0,1,0|0,0,0]=2 366 B11R1.222 COC(=O)C1=C(Br)C=NC=C1 CS22176 [0,1,0,0,1,0|1,0,0]=3 367 B11R1.222 COC(=O)C1=C(C)C=NC=C1 MC121213 [0,1,0,0,1,0|1,0,0]=3 368 B11R1.222 COC(=O)C1=C(C)N=CC=C1 CS21004 [0,1,0,0,1,0|1,0,0]=3 369 B11R1.222 COC(=O)C1=C(Cl)N=CC=C1 CS20210 [0,1,0,0,1,0|1,0,0]=3 370 B11R1.222 COC(=O)C1=C(F)C=CC=C1 CS11605 [0,1,0,0,1,0|0,0,0]=2 371 B11R1.222 COC(=O)C1=C(F)N=CC=C1 CS14405 [0,1,0,0,1,0|1,0,0]=3 372 B11R1.222 COC(=O)C1=C(I)C=CC=C1 CS15277 [0,1,0,0,1,0|0,0,0]=2 373 B11R1.222 COC(=O)C1=C(I)C=NC=C1 CS22331 [0,1,0,0,1,0|1,0,0]=3 374 B11R1.222 COC(=O)C1=C(N)C=CC=C1 CS13618 [0,1,0,0,1,0|0,0,0]=2 375 B11R1.222 COC(=O)C1=C(O)C=NC=C1 CS11627 [0,1,0,0,1,0|1,0,0]=3 376 B11R1.222 COC(=O)C1=C(S)C=CC=C1 MC40110 [0,1,0,0,1,0|0,0,0]=2 377 B11R1.222 COC(=O)C1=CC=CN=C1N CS18010 [0,1,0,0,1,0|1,0,0]=3 378 B11R1.222 COC(=O)C1=CC=NNC1=O MC104814 [0,1,0,0,1,0|2,0,0]=4 379 B11R1.222 COC(=O)C1=CN=CC=C1C CS11648 [0,1,0,0,1,0|1,0,0]=3 380 B11R1.222 COC(=O)C1=CN=CC=C1Cl CS15530 [0,1,0,0,1,0|1,0,0]=3 381 B11R1.222 COC(=O)C1=CN=CC=C1Cl MC425389 [0,1,0,0,1,0|1,0,0]=3 382 B11R1.222 COC(=O)C1=CN=CC=C1N CS18774 [0,1,0,0,1,0|1,0,0]=3 383 B11R1.222 COC(=O)C1=CN=CN=C1N CS12825 [0,1,0,0,1,0|2,0,0]=4 384 B11R1.222 COC(=O)C1=CN=CNC1=O CS19080 [0,1,0,0,1,0|2,0,0]=4 385 B11R1.222 COC(=O)C1=CN=NC=C1C MC102128 [0,1,0,0,1,0|2,0,0]=4 386 B11R1.222 COC(=O)C1=NC=CC=C1Br CS12168 [0,1,0,0,1,0|1,0,0]=3 387 B11R1.222 COC(=O)C1=NC=CC=C1F CS19566 [0,1,0,0,1,0|1,0,0]=3 388 B11R1.222 COC(=O)C1=NC=CC=C1I MC431997 [0,1,0,0,1,0|1,0,0]=3 389 B11R1.222 COC(=O)C1=NC=CC=C1N CS22111 [0,1,0,0,1,0|1,0,0]=3 390 B11R1.222 COC(=O)C1=NC=CC=C1O CS21936 [0,1,0,0,1,0|1,0,0]=3 391 B11R1.222 COC(=O)C1=NC=CN=C1Br CS12415 [0,1,0,0,1,0|2,0,0]=4 392 B11R1.222 COC(=O)C1=NC=CN=C1Cl CS18208 [0,1,0,0,1,0|2,0,0]=4 393 B11R1.222 COC(=O)C1=NC=CN=C1I MC103283 [0,1,0,0,1,0|2,0,0]=4 394 B11R1.222 COC(=O)C1=NC=CN=C1N CS21912 [0,1,0,0,1,0|2,0,0]=4 395 B11R1.222 COC(=O)C1=NC=CN=C1O CS11607 [0,1,0,0,1,0|2,0,0]=4 396 B11R1.222 COC(=O)C1=NC=NC=C1Br CS12520 [0,1,0,0,1,0|2,0,0]=4 397 B11R1.222 NCC(=O)C1=C(F)C=CC=C1 CS15388 [0,1,0,0,1,0|2,0,0]=4 398 B11R1.222 NNC(=O)C1=C(F)C=CC=C1 MC429401 [0,1,0,0,1,0|2,0,0]=4 399 B11R1.222 O=C(CBr)C1=C(Cl)C=CC=C1 CS14555 [0,1,0,0,1,0|2,0,0]=4 400 B11R1.222 O=C(CBr)C1=C(O)C=CC=C1 MC41230 [0,1,0,0,1,0|2,0,0]=4 401 B11R1.222 O=C(NO)C1=C(O)C=CC=C1 CS11942 [0,1,0,0,1,0|2,0,0]=4 402 B11R1.30 CCOC(=O)CC1=NC=CS1 CS13253 [0,1,0,0,1,0|2,0,0]=4 403 B11R1.31 COC(=O)C(N)N1C=CC=N1 MC435566 [0,1,0,0,1,0|2,0,0]=4 404 B11R1.31 COC(=O)C(N)N1C=CC=N1 MC435567 [0,1,0,0,1,0|2,0,0]=4 405 B11R1.39 COC(=O)CC1=NC(Cl)=CS1 MC105142 [0,1,0,0,1,0|2,0,0]=4 406 B11R1.39 COC(=O)CC1=NC=C(Cl)S1 MC105132 [0,1,0,0,1,0|2,0,0]=4 407 B11R1.39 COC(=O)CC1=NNC(C)=C1 MC429556 [0,1,0,0,1,0|2,0,0]=4 408 B11R1.39 COC(=O)CN1C=C(Br)C=N1 CS16222 [0,1,0,0,1,0|2,0,0]=4 409 B11R1.39 COC(=O)CN1C=C(N)C=N1 MC425275 [0,1,0,0,1,0|2,0,0]=4 410 B13R1.11 COC(=O)CC(=O)C1=NC=CC=C1 CS14849 [0,1,0,0,0,1|1,0,0]=3 411 B13R1.11 COC(=O)CC(N)C1=CC=CC=C1 MC42230 [0,1,0,0,0,1|0,0,0]=2 412 B13R1.11 COC(=O)CC(N)C1=CC=CC=C1 MC42231 [0,1,0,0,0,1|0,0,0]=2 413 B13R1.11 COC(=O)CN(C)C1=NC=CC=C1 CS17411 [0,1,0,0,0,1|1,0,0]=3 414 B13R1.14 COC(=O)CCC1=CC=C(Br)C=C1 CS12844 [0,1,0,0,0,1|0,0,0]=2 415 B13R1.14 COC(=O)CCC1=CC=C(O)C=C1 CS11125 [0,1,0,0,0,1|0,0,0]=2 416 B13R1.14 COC(=O)\C=C\C1=CC=C(Cl)C=C1 MC433909 [0,1,0,0,0,1|0,0,1]=3 417 B13R1.14 COC(=O)\C=C\C1=CC=C(O)C=C1 CS11646 [0,1,0,0,0,1|0,0,1]=3 418 B13R1.14 COC(=O)\C=C\C1=CC=C(O)C=C1 MC40106 [0,1,0,0,0,1|0,0,1]=3 419 B13R1.15 COC(=O)C#CC1=CC(F)=CC=C1 MC431831 [0,1,0,0,0,1|0,0,1]=3 420 B13R1.15 COC(=O)CCC1=CC(Br)=CC=C1 MC433967 [0,1,0,0,0,1|0,0,0]=2 421 B13R1.15 COC(=O)\C=C\c1cccc(Br)c1 MC433906 [0,1,0,0,0,1|0,0,1]=3 422 B13R1.42 C=COC(=O)OCC1=CC=CC=C1 MC111305 [0,1,0,0,0,1|0,0,1]=3 423 B13R1.42 CCCC(=O)CCC1=CC=CC=C1 MC428315 [0,1,0,0,0,1|1,0,0]=3 424 B13R1.42 CCOC(=O)COC1=CC=CN=C1 CS19787 [0,1,0,0,0,1|1,0,0]=3 425 B13R1.42 CNCC(=O)OCc1ccccc1 MC438153 [0,1,0,0,0,1|1,0,0]=3 426 B13R1.42 NCCC(=O)OCc1ccccc1 MC436156 [0,1,0,0,0,1|1,0,0]=3 427 B13R1.135 COC(=O)C(Br)CC1=CC=CC=C1 MC112426 [0,1,0,0,0,1|0,0,0]=2 428 B13R1.135 COC(=O)C(N)CC1=CC=CC=C1 CS11158 [0,1,0,0,0,1|0,0,0]=2 429 B13R1.135 COC(=O)C(N)CC1=CC=CC=C1 MC428077 [0,1,0,0,0,1|0,0,0]=2 430 B13R1.135 COC(=O)C(N)Cc1ccccc1 MC438088 [0,1,0,0,0,1|0,0,0]=2 431 B13R1.135 COC(=O)C(N)Cc1cccnc1 MC438145 [0,1,0,0,0,1|1,0,0]=3 432 B13R1.135 COC(=O)C(O)CC1=CC=CC=C1 CS11127 [0,1,0,0,0,1|0,0,0]=2 433 B13R1.135 COC(=O)C(O)CC1=CC=CC=C1 CS14552 [0,1,0,0,0,1|0,0,0]=2 434 B13R1.135 COC(=O)C(O)CC1=CC=CC=C1 CS21578 [0,1,0,0,0,1|0,0,0]=2 435 B13R1.135 NC(Cc1ccccc1)C(=O)CCl MC438073 [0,1,0,0,0,1|2,0,0]=4 436 B13R1.135 NNC(=O)C(N)Cc1ccccc1 MC439014 [0,1,0,0,0,1|2,0,0]=4 437 B13R1.351 CC(N)C(=O)OCC1=CC=CC=C1 CS14334 [0,1,0,0,0,1|1,0,0]=3 438 B13R1.351 CC(N)C(=O)OCc1ccccc1 MC436155 [0,1,0,0,0,1|1,0,0]=3 439 B13R1.351 CC(N)C(=O)OCc1ccccc1 MC436157 [0,1,0,0,0,1|1,0,0]=3 440 B13R1.351 CC(N)C(=O)OCc1ccccc1 MC436158 [0,1,0,0,0,1|1,0,0]=3 441 B13R1.351 CC(O)C(=O)OCC1=CC=CC=C1 MC437818 [0,1,0,0,0,1|1,0,0]=3 442 B13R1.351 CN(N)C(=O)OCC1=CC=CC=C1 CS15331 [0,1,0,0,0,1|1,0,0]=3 443 B13R1.528 COC(=O)CCC1=C(Br)C=CC=C1 MC433966 [0,1,0,0,0,1|0,0,0]=2 444 B13R1.19 CCOC(=O)CC1=CC=C(Br)C=C1 CS13678 [0,2,0,0,0,0|0,0,0]=2 445 B13R1.19 CCOC(=O)CC1=CC=C(C)C=C1 MC40045 [0,2,0,0,0,0|0,0,0]=2 446 B13R1.19 CCOC(=O)CC1=CC=C(C)N=C1 MC107448 [0,2,0,0,0,0|1,0,0]=3 447 B13R1.19 CCOC(=O)CC1=CC=C(Cl)C=C1 CS11364 [0,2,0,0,0,0|0,0,0]=2 448 B13R1.19 CCOC(=O)CC1=CC=C(Cl)N=N1 MC104034 [0,2,0,0,0,0|2,0,0]=4 449 B13R1.19 CCOC(=O)CC1=CC=C(F)C=C1 CS12592 [0,2,0,0,0,0|0,0,0]=2 450 B13R1.19 CCOC(=O)CC1=NC=C(Br)C=N1 CS19726 [0,2,0,0,0,0|2,0,0]=4 451 B13R1.19 CCOC(=O)CC1=NC=C(F)C=C1 MC430659 [0,2,0,0,0,0|1,0,0]=3 452 B13R1.19 CCOC(=O)CC1=NC=C(F)C=N1 CS16842 [0,2,0,0,0,0|2,0,0]=4 453 B13R1.19 CCOC(=O)CC1=NC=C(N)C=C1 MC104031 [0,2,0,0,0,0|1,0,0]=3 454 B13R1.19 CCOC(=O)CC1=NC=C(O)C=C1 MC101950 [0,2,0,0,0,0|1,0,0]=3 455 B13R1.20 CCOC(=O)CC1=CC(Br)=CC=C1 CS12283 [0,2,0,0,0,0|0,0,0]=2 456 B13R1.20 CCOC(=O)CC1=CC(F)=CN=C1 MC115671 [0,2,0,0,0,0|1,0,0]=3 457 B13R1.20 CCOC(=O)CC1=CC(N)=CC=C1 CS17331 [0,2,0,0,0,0|0,0,0]=2 458 B13R1.20 CCOC(=O)CC1=NC(Cl)=CC=C1 MC106442 [0,2,0,0,0,0|1,0,0]=3 459 B13R1.20 CCOC(=O)CC1=NC=CC(Br)=C1 MC107123 [0,2,0,0,0,0|1,0,0]=3 460 B13R1.20 CCOC(=O)CC1=NC=NC(C)=C1 MC104703 [0,2,0,0,0,0|2,0,0]=4 461 B13R1.20 O=C(CCCl)NC1=CC(O)=CC=C1 MC425496 [0,2,0,0,0,0|2,0,0]=4 462 B13R1.47 CCOC(=O)C(N)C1=CC=CC=C1 MC425900 [0,2,0,0,0,0|0,0,0]=2 463 B13R1.47 CCOC(=O)C(N)C1=NC=CC=C1 MC105176 [0,2,0,0,0,0|1,0,0]=3 464 B13R1.47 CCOC(=O)C(N)c1ccccc1 MC438107 [0,2,0,0,0,0|0,0,0]=2 465 B13R1.47 CCOC(=O)C(O)C1=CC=CC=C1 MC20544 [0,2,0,0,0,0|0,0,0]=2 466 B13R1.470 CCOC(=O)CC1=C(Br)C=CC=C1 CS17651 [0,2,0,0,0,0|0,0,0]=2 467 B13R1.470 CCOC(=O)CC1=CC=CN=C1F MC429653 [0,2,0,0,0,0|1,0,0]=3 468 B13R1.470 CCOC(=O)CC1=NC=CC=C1O MC104308 [0,2,0,0,0,0|1,0,0]=3 469 B13R1.21 C=C(C(=O)OC)C1=CC=C(F)C=C1 MC429371 [0,2,0,0,0,0|0,0,1]=3 470 B13R1.21 COC(=O)C(Br)c1ccc(Cl)cc1 MC40066 [0,2,0,0,0,0|0,0,0]=2 471 B13R1.21 COC(=O)C(C)C1=CC=C(N)C=C1 MC442718 [0,2,0,0,0,0|0,0,0]=2 472 B13R1.21 COC(=O)C(N)C1=CC=C(Cl)C=C1 CS10920 [0,2,0,0,0,0|0,0,0]=2 473 B13R1.21 COC(=O)C(N)C1=CC=C(F)C=C1 MC106661 [0,2,0,0,0,0|0,0,0]=2 474 B13R1.21 COC(=O)C(N)C1=CC=C(O)C=C1 CS14235 [0,2,0,0,0,0|0,0,0]=2 475 B13R1.21 COC(=O)C(N)C1=CC=C(O)C=C1 CS19149 [0,2,0,0,0,0|0,0,0]=2 476 B13R1.22 COC(=O)C(C)C1=CC(N)=CC=C1 MC102243 [0,2,0,0,0,0|0,0,0]=2 477 B13R1.532 COC(=O)\C(=N\O)C1=NC=CC=C1 CS17648 [0,2,0,0,0,0|1,0,1]=4 478 B13R1.696 COC(=O)C(Br)C1=C(Cl)C=CC=C1 CS11666 [0,2,0,0,0,0|0,0,0]=2 479 B13R1.696 COC(=O)C(Cl)C1=C(Cl)C=CC=C1 CS20968 [0,2,0,0,0,0|0,0,0]=2 480 B13R1.696 COC(=O)C(N)C1=CC=CC=C1Cl MC20917 [0,2,0,0,0,0|0,0,0]=2 481 B13R1.148 CN(C)C(=O)OC1=CC(N)=CC=C1 MC443265 [0,2,0,0,0,0|2,0,0]=4 482 B13R1.418 CNC(CC1=CC=CC=C1)C(=O)O CS17818 [0,2,0,0,0,0|1,0,1]=4 483 B13R1.418 CNC(Cc1ccccc1)C(=O)O MC437926 [0,2,0,0,0,0|1,0,1]=4 484 B13R1.5 COC(=O)CC1=CC=C(C#N)C=C1 CS18347 [0,2,0,0,0,0|0,0,0]=2 485 B13R1.5 COC(=O)CC1=CC=C(C=O)C=C1 MC427596 [0,2,0,0,0,0|0,0,0]=2 486 B13R1.5 COC(=O)CC1=CC=C(CBr)C=C1 MC40073 [0,2,0,0,0,0|0,0,0]=2 487 B13R1.5 COC(=O)CC1=CC=C(CN)C=C1 MC40062 [0,2,0,0,0,0|0,0,0]=2 488 B13R1.249 CNS(=O)(=O)CC1=CC=C(N)C=C1 CS10561 [0,2,0,0,0,0|2,0,0]=4 489 B13R1.2679 COC(=O)CC1=C(Br)C=C(C)C=C1 MC106319 [0,2,0,0,0,0|0,0,0]=2 490 B13R1.2679 COC(=O)CC1=C(Cl)C=C(Br)C=C1 MC107515 [0,2,0,0,0,0|0,0,0]=2 491 B13R1.2679 COC(=O)CC1=C(Cl)C=C(Cl)C=C1 CS14993 [0,2,0,0,0,0|0,0,0]=2 492 B13R1.2679 COC(=O)CC1=C(F)C=C(Cl)C=C1 MC111855 [0,2,0,0,0,0|0,0,0]=2 493 B13R1.2679 COC(=O)CC1=C(F)C=C(I)C=C1 MC430213 [0,2,0,0,0,0|0,0,0]=2 494 B13R1.2679 COC(=O)CC1=C(F)C=C(O)C=C1 MC432100 [0,2,0,0,0,0|0,0,0]=2 495 B13R1.2679 COC(=O)CC1=C(N)C=C(F)C=C1 MC429959 [0,2,0,0,0,0|0,0,0]=2 496 B13R1.2679 COC(=O)CC1=CC=C(Br)N=C1Br MC109117 [0,2,0,0,0,0|1,0,0]=3 497 B13R1.2679 COC(=O)CC1=NC=C(Br)C=C1Br MC109119 [0,2,0,0,0,0|1,0,0]=3 498 B13R1.2879 COC(=O)CC1=CC(C)=C(Cl)N=N1 MC104937 [0,2,0,0,0,0|2,0,0]=4 499 B13R1.2879 COC(=O)CC1=CC(Cl)=C(O)C=C1 MC433941 [0,2,0,0,0,0|0,0,0]=2 500 B13R1.2879 COC(=O)CC1=CC(F)=C(C)C=C1 CS15702 [0,2,0,0,0,0|0,0,0]=2 501 B13R1.2879 COC(=O)CC1=CC(N)=C(Cl)C=C1 CS16914 [0,2,0,0,0,0|0,0,0]=2 502 B13R1.2879 COC(=O)CC1=CC(O)=C(Br)C=C1 MC429707 [0,2,0,0,0,0|0,0,0]=2 503 B13R1.2879 COC(=O)CC1=CC=C(Br)C(Br)=N1 MC109114 [0,2,0,0,0,0|1,0,0]=3 504 B13R1.2879 COC(=O)CC1=CN=C(Br)C(Br)=C1 MC109113 [0,2,0,0,0,0|1,0,0]=3 505 B13R1.2879 COC(=O)CC1=NNC(=O)C(C)=C1 MC104936 [0,2,0,0,0,0|2,0,0]=4 506 B13R1.2879 COC(=O)NC1=CC(F)=C(Br)C=C1 MC40071 [0,2,0,0,0,0|1,0,0]=3 507 B13R1.40 COC(=O)CC1=C(Br)C(Br)=NC=C1 MC109112 [0,2,0,0,0,0|1,0,0]=3 508 B13R1.81 COC(=O)CC1=CC(C#N)=CC=C1 MC429965 [0,2,0,0,0,0|0,0,0]=2 509 B13R1.81 COC(=O)CC1=CC(CN)=CC=C1 MC103125 [0,2,0,0,0,0|0,0,0]=2 510 B13R1.2872 COC(=O)CC1=CC(Br)=CN=C1Br MC109115 [0,2,0,0,0,0|1,0,0]=3 511 B13R1.2872 COC(=O)CC1=CC(Br)=NC=C1Br MC109116 [0,2,0,0,0,0|1,0,0]=3 512 B13R1.2872 COC(=O)CC1=NC(Br)=CC=C1Br MC109120 [0,2,0,0,0,0|1,0,0]=3 513 B13R1.2874 COC(=O)CC1=CC(Br)=NC(Br)=C1 MC109118 [0,2,0,0,0,0|1,0,0]=3 514 B13R1.2874 COC(=O)CC1=NC(Cl)=NC(Cl)=C1 MC444010 [0,2,0,0,0,0|2,0,0]=4 515 B13R1.91 COC(=O)CC1=C(C#N)C=CC=C1 MC433944 [0,2,0,0,0,0|0,0,0]=2 516 B13R1.4928 COC(=O)CC1=C(Cl)N=CN=C1Cl CS15793 [0,2,0,0,0,0|2,0,0]=4 517 B13R1.4928 COC(=O)CC1=C(O)N=CN=C1O MC106788 [0,2,0,0,0,0|2,0,0]=4 518 B11R2.1 CC1=CCC2=CC=CC=C12 MC106180 [1,0,0,1,0,0|1,0,0]=3 519 B11R2.1 CC1=CNC2=CC=CC=C12 CS11030 [1,0,0,1,0,0|2,0,0]=4 520 B11R2.1 CC1=COC2=C1C=CC=C2 MC30270 [1,0,0,1,0,0|2,0,0]=4 521 B11R2.1 CN1C=CC2=CC=CC=C21 CS11026 [1,0,0,1,0,0|1,0,1]=4 522 B11R2.20 C1=CC=C2CC=CCC2=C1 CS11050 [1,0,0,1,0,0|1,0,0]=3 523 B11R2.20 C1=CC=C2CNCCC2=C1 CS19412 [1,0,0,1,0,0|1,0,1]=4 524 B11R2.20 C1=CC=C2COCCC2=C1 CS19933 [1,0,0,1,0,0|0,0,1]=3 525 B11R2.238 C1=CC=C(CC2CN2)C=C1 CS19482 [1,0,0,1,0,0|1,0,1]=4 526 B11R2.10 BrC1=CC2=CC=CC=C2C1 CS21490 [1,0,0,1,0,0|1,0,1]=4 527 B11R2.10 BrC1=NC2=C(C=CC=C2)O1 MC442524 [1,0,0,1,0,0|2,0,0]=4 528 B11R2.10 CC1=CC2=CC=CC=C2C1 CS11052 [1,0,0,1,0,0|1,0,0]=3 529 B11R2.10 CC1=CC2=CC=CC=C2N1 CS18563 [1,0,0,1,0,0|1,0,1]=4 530 B11R2.10 CC1=NC2=C(C=CC=C2)N1 CS15288 [1,0,0,1,0,0|2,0,0]=4 531 B11R2.10 CC1=NC2=C(C=CC=C2)O1 MC31235 [1,0,0,1,0,0|1,0,1]=4 532 B11R2.10 CC1=NC2=C(C=CC=C2)S1 CS21687 [1,0,0,1,0,0|1,1,0]=4 533 B11R2.10 CC1CC2=CC=CC=C2N1 MC105455 [1,0,0,1,0,0|1,0,1]=4 534 B11R2.10 CC1CC2=CC=CC=C2N1 MC445120 [1,0,0,1,0,0|1,0,1]=4 535 B11R2.10 ClC1=NC2=C(C=CC=C2)O1 MC31172 [1,0,0,1,0,0|2,0,0]=4 536 B11R2.10 NC1=NC2=C(C=CC=C2)O1 MC31149 [1,0,0,1,0,0|2,0,0]=4 537 B11R2.10 NC1CC2=CC=CC=C2C1 CS19882 [1,0,0,1,0,0|1,0,1]=4 538 B11R2.10 NN1CC2=CC=CC=C2C1 MC442461 [1,0,0,1,0,0|2,0,0]=4 539 B11R2.10 O=C1CC2=C(C=CC=C2)O1 MC20944 [1,0,0,1,0,0|0,0,0]=2 540 B11R2.10 O=C1CC2=CC=CC=C2C1 CS16080 [1,0,0,1,0,0|0,0,0]=2 541 B11R2.10 O=C1CC2=CC=CC=C2N1 CS15184 [1,0,0,1,0,0|1,0,0]=3 542 B11R2.10 O=C1CC2=CC=NC=C2N1 MC100071 [1,0,0,1,0,0|2,0,0]=4 543 B11R2.10 O=C1CC2=NC=CC=C2O1 MC106428 [1,0,0,1,0,0|1,0,0]=3 544 B11R2.10 O=C1CN2C=CC=CC2=N1 MC427358 [1,0,0,1,0,0|2,0,0]=4 545 B11R2.10 O=C1NC2=C(C=CC=C2)O1 CS15190 [1,0,0,1,0,0|1,0,0]=3 546 B11R2.10 O=C1NC2=NC=CC=C2O1 CS18902 [1,0,0,1,0,0|2,0,0]=4 547 B11R2.10 O=C1OC2=C(C=CC=C2)O1 CS10973 [1,0,0,1,0,0|1,0,0]=3 548 B11R2.10 OC1=NC2=C(C=CC=C2)N1 CS20242 [1,0,0,1,0,0|2,0,0]=4 549 B11R2.10 OC1CC2=CC=CC=C2C1 CS21608 [1,0,0,1,0,0|0,0,2]=4 550 B11R2.10 ON1CC2=CC=CC=C2C1 MC41790 [1,0,0,1,0,0|1,0,1]=4 551 B11R2.10 SC1=NC2=C(C=CC=C2)O1 MC20463 [1,0,0,1,0,0|1,1,0]=4 552 B13R2.10 O=C1CC(C2=CC=CC=C2)CN1 CS13543 [0,0,0,1,0,1|1,0,0]=3 553 B13R2.10 O=C1CCC(C2=CC=NC=C2)C1 MC106176 [0,0,0,1,0,1|2,0,0]=4 554 B13R2.10 O=C1CCC(C2=NC=CC=C2)C1 MC106175 [0,0,0,1,0,1|2,0,0]=4 555 B13R2.10 O=C1NC(C2=CC=CC=C2)CO1 CS11041 [0,0,0,1,0,1|0,0,0]=2 556 B13R2.10 O=C1NC(C2=CC=CC=C2)CO1 CS11043 [0,0,0,1,0,1|0,0,0]=2 557 B13R2.33 O=C1CCC2=C(C=CC=C2)CC1 MC442202 [0,0,0,1,0,1|1,0,0]=3 558 B13R2.57 COC1=CC2=CC=CC=C2C=C1 MC10259 [0,0,0,1,0,1|1,0,1]=4 559 B13R2.57 COC1=CC2=CC=CC=C2N=C1 CS13082 [0,0,0,1,0,1|1,0,1]=4 560 B13R2.163 O=C1CCCC2=C(C=CC=C2)N1 CS10012 [0,1,0,1,0,0|2,0,0]=4 561 B13R2.163 O=C1COCC2=C(C=CC=C2)N1 MC431588 [0,1,0,1,0,0|1,0,0]=3 562 B13R2.221 NC1(CC2=CC=CC=C2)COC1 MC103534 [0,1,0,1,0,0|1,0,1]=4 563 B13R2.328 CN1CC(=O)NC2=CC=CC=C21 MC107481 [0,1,0,1,0,0|2,0,0]=4 564 B13R2.328 O=C1CC2=CC=CC=C2C(=O)N1 MC33305 [0,1,0,1,0,0|1,0,1]=4 565 B13R2.328 O=C1NC2=C(C=CC=C2)C(=O)O1 CS11507 [0,1,0,1,0,0|1,0,1]=4 566 B13R2.45 CN1C(C=O)=NC2=C1C=CC=C2 MC33348 [0,1,0,1,0,0|2,0,0]=4 567 B13R2.359 CC1(C)C(=O)NC2=CC=CC=C21 MC425452 [0,1,0,1,0,0|2,0,0]=4 568 B13R2.3028 CC1C(=O)NC2=CC=C(Br)C=C21 CS14604 [0,1,0,1,0,0|2,0,0]=4 569 B13R2.3028 CN1C(=O)NC2=C1C=C(N)C=C2 MC431669 [0,1,0,1,0,0|2,0,0]=4 570 B13R2.3683 O=C1CC2=CC=C(Br)C=C2CN1 CS12768 [0,1,0,1,0,0|1,0,0]=3 571 B13R2.3683 O=C1CCC2=CC(Br)=CC=C2N1 CS14148 [0,1,0,1,0,0|2,0,0]=4 572 B13R2.3683 O=C1CCC2=CC(Br)=CC=C2O1 MC443490 [0,1,0,1,0,0|2,0,0]=4 573 B13R2.3683 O=C1CCC2=CC(Cl)=CC=C2C1 MC445396 [0,1,0,1,0,0|1,0,0]=3 574 B13R2.3683 O=C1CCC2=CC(F)=CC=C2C1 CS11331 [0,1,0,1,0,0|1,0,0]=3 575 B13R2.3683 O=C1CCC2=CC(F)=CC=C2N1 MC441110 [0,1,0,1,0,0|2,0,0]=4 576 B13R2.3683 O=C1CCC2=CC(I)=CC=C2N1 MC106640 [0,1,0,1,0,0|2,0,0]=4 577 B13R2.3683 O=C1CCC2=CC(O)=CC=C2C1 CS10710 [0,1,0,1,0,0|1,0,0]=3 578 B13R2.3683 O=C1CCC2=CC(O)=CC=C2N1 CS22115 [0,1,0,1,0,0|2,0,0]=4 579 B13R2.3683 O=C1NC2=C(C=C(Br)C=C2)CO1 MC10146 [0,1,0,1,0,0|1,0,0]=3 580 B13R2.3683 O=C1NCC2=CC(Br)=CC=C2N1 MC115916 [0,1,0,1,0,0|2,0,0]=4 581 B13R2.155 NC1=CC=C2CCC(=O)NC2=C1 CS10778 [0,1,0,1,0,0|2,0,0]=4 582 B13R2.155 O=C1CCC2=CC=C(Br)C=C2C1 MC111869 [0,1,0,1,0,0|1,0,0]=3 583 B13R2.155 O=C1CCC2=CC=C(Br)C=C2N1 MC106566 [0,1,0,1,0,0|2,0,0]=4 584 B13R2.155 O=C1CCC2=CC=C(Cl)C=C2N1 CS10802 [0,1,0,1,0,0|2,0,0]=4 585 B13R2.155 O=C1CCC2=CC=C(O)C=C2C1 CS18274 [0,1,0,1,0,0|1,0,0]=3 586 B13R2.155 O=C1CCC2=CC=C(O)C=C2N1 CS21727 [0,1,0,1,0,0|2,0,0]=4 587 B13R2.155 O=C1COC2=CC=C(Cl)C=C2C1 CS16680 [0,1,0,1,0,0|2,0,0]=4 588 B13R2.5179 O=C1CCC2=C(Br)C=CC=C2C1 MC20821 [0,1,0,1,0,0|1,0,0]=3 589 B13R2.5190 CC1C(=O)NC2=CC(Br)=CC=C21 MC111737 [0,1,0,1,0,0|2,0,0]=4 590 B13R2.222 O=S1(=O)CC2=C(C=CC=C2)CN1 MC111723 [0,1,0,1,0,0|2,0,0]=4 591 B13R2.162 O=C1CCC2=CC=CC(Br)=C2C1 MC425726 [0,1,0,1,0,0|1,0,0]=3 592 B13R2.162 O=C1CCC2=CC=CC(O)=C2C1 MC20770 [0,1,0,1,0,0|1,0,0]=3 593 B9R1.6 C=C(C)C1=CC=NC=C1 MC111872 [1,0,0,0,1,0|2,0,0]=4 594 B9R1.6 C=C(F)C1=CC=CC=C1 MC102770 [1,0,0,0,1,0|1,0,1]=4 595 B9R1.6 CC(=O)C1=CC=CC=C1 MC41221 [1,0,0,0,1,0|0,0,0]=2 596 B9R1.6 CC(=O)C1=CC=CN=C1 CS18256 [1,0,0,0,1,0|1,0,0]=3 597 B9R1.6 CC(=O)C1=CC=CN=N1 MC444225 [1,0,0,0,1,0|2,0,0]=4 598 B9R1.6 CC(=O)C1=CC=NC=C1 CS22535 [1,0,0,0,1,0|1,0,0]=3 599 B9R1.6 CC(=O)C1=CN=CN=C1 MC444371 [1,0,0,0,1,0|2,0,0]=4 600 B9R1.6 CC(=O)C1=CN=NC=C1 MC444309 [1,0,0,0,1,0|2,0,0]=4 601 B9R1.6 CC(=O)C1=NC=CC=C1 CS18611 [1,0,0,0,1,0|1,0,0]=3 602 B9R1.6 CC(=O)C1=NC=CC=N1 MC444159 [1,0,0,0,1,0|2,0,0]=4 603 B9R1.6 CC(=O)C1=NC=CN=C1 CS19346 [1,0,0,0,1,0|2,0,0]=4 604 B9R1.6 CC(=O)C1=NC=NC=C1 MC442362 [1,0,0,0,1,0|2,0,0]=4 605 B9R1.6 CC(Br)C1=CC=CC=C1 MC40570 [1,0,0,0,1,0|1,0,1]=4 606 B9R1.6 CC(N)C1=CC=CC=C1 CS10551 [1,0,0,0,1,0|1,0,1]=4 607 B9R1.6 CC(N)C1=CC=CC=C1 MC20344 [1,0,0,0,1,0|1,0,1]=4 608 B9R1.6 CC(O)C1=CC=CC=C1 MC20383 [1,0,0,0,1,0|0,0,2]=4 609 B9R1.6 CN(C)C1=CC=CC=C1 MC40906 [1,0,0,0,1,0|2,0,0]=4 610 B9R1.6 C[PH](=O)C1=CC=CC=C1 CS16386 [1,0,0,0,1,0|1,0,0]=3 611 B9R1.6 N=C(N)C1=CC=CC=C1 CS14830 [1,0,0,0,1,0|2,0,0]=4 612 B9R1.6 NC(=O)C1=CC=CC=C1 CS10962 [1,0,0,0,1,0|1,0,0]=3 613 B9R1.6 NC(=O)C1=CC=NC=C1 CS13721 [1,0,0,0,1,0|2,0,0]=4 614 B9R1.6 NC(=O)C1=NC=CC=C1 CS11910 [1,0,0,0,1,0|2,0,0]=4 615 B9R1.6 NC(=S)C1=CC=CC=C1 MC20863 [1,0,0,0,1,0|1,1,0]=4 616 B9R1.6 O=C(Cl)C1=CC=CC=C1 MC40435 [1,0,0,0,1,0|1,0,0]=3 617 B9R1.6 O=C(Cl)C1=NC=CC=C1 CS11857 [1,0,0,0,1,0|2,0,0]=4 618 B9R1.6 O=C(O)C1=CC=CC=C1 MC40233 [1,0,0,0,1,0|0,0,0]=2 619 B9R1.6 O=C(O)C1=CC=CN=C1 MC41633 [1,0,0,0,1,0|1,0,0]=3 620 B9R1.6 O=C(O)C1=CC=CN=N1 CS19741 [1,0,0,0,1,0|2,0,0]=4 621 B9R1.6 O=C(O)C1=CN=CN=C1 CS17525 [1,0,0,0,1,0|2,0,0]=4 622 B9R1.6 O=C(O)C1=CN=NC=C1 MC41706 [1,0,0,0,1,0|2,0,0]=4 623 B9R1.6 O=C(O)C1=NC=CC=C1 CS13384 [1,0,0,0,1,0|1,0,0]=3 624 B9R1.6 O=C(O)C1=NC=CC=N1 CS18229 [1,0,0,0,1,0|2,0,0]=4 625 B9R1.6 O=C(O)C1=NC=CN=C1 CS17531 [1,0,0,0,1,0|2,0,0]=4 626 B9R1.6 O=C(O)C1=NC=NC=C1 CS14129 [1,0,0,0,1,0|2,0,0]=4 627 B9R1.6 O=[N+]([O-])C1=CC=CC=C1 MC41586 [1,0,0,0,1,0|1,0,1]=4 628 B9R1.6 OB(O)C1=CC=CC=C1 CS19450 [1,0,0,0,1,0|1,0,1]=4 629 B9R1.13 O=C(O)CC1=CC=CS1 CS23025 [1,0,0,0,1,0|1,0,0]=3 630 B9R1.13 O=C(O)CC1=CN=CN1 CS22764 [1,0,0,0,1,0|2,0,0]=4 631 B9R1.13 O=C(O)CC1=CN=CS1 MC105966 [1,0,0,0,1,0|2,0,0]=4 632 B9R1.13 O=C(O)CC1=CNC=C1 MC106680 [1,0,0,0,1,0|1,0,0]=3 633 B9R1.13 O=C(O)CC1=NC=CN1 MC106507 [1,0,0,0,1,0|2,0,0]=4 634 B9R1.13 O=C(O)CN1C=CN=C1 CS22762 [1,0,0,0,1,0|2,0,0]=4 635 B9R1.11 COC(=O)C1=CC=CN1 CS17868 [0,0,0,0,2,0|1,0,0]=3 636 B9R1.11 COC(=O)C1=CC=CO1 CS11606 [0,0,0,0,2,0|1,0,0]=3 637 B9R1.11 COC(=O)C1=CC=NS1 MC106643 [0,0,0,0,2,0|2,0,0]=4 638 B9R1.11 COC(=O)C1=CNC=C1 CS20729 [0,0,0,0,2,0|1,0,0]=3 639 B9R1.11 COC(=O)C1=CNC=N1 CS18794 [0,0,0,0,2,0|2,0,0]=4 640 B9R1.11 COC(=O)C1=CNN=C1 MC425198 [0,0,0,0,2,0|2,0,0]=4 641 B9R1.11 COC(=O)C1=NC=CN1 CS15200 [0,0,0,0,2,0|2,0,0]=4 642 B9R1.11 COC(=O)C1=NNC=C1 CS11588 [0,0,0,0,2,0|2,0,0]=4 643 B13R1.718 COC(=O)CCNC1=CC=CC=C1 CS22398 [0,0,0,0,0,2|0,0,0]=2 644 B13R1.718 COC(=O)\C=C\NC1=CC=CC=C1 MC111024 [0,0,0,0,0,2|0,0,1]=3