0 B9R1.3 BrC1=CC=CC(=C1I)Br S110086 [0,0,0,0,0,0|4,0,0]=4 1 B9R1.3 CC1=C(C(=CC=C1)Cl)S R262153 [0,0,0,0,0,0|2,1,0]=3 2 B9R1.3 CC1=C(C(=NC=N1)O)C CBR02089 [0,0,0,0,0,0|3,0,1]=4 3 B9R1.3 CC1=C(C(=NC=N1)O)F S217212 [0,0,0,0,0,0|3,0,1]=4 4 B9R1.3 CC1=C(C=CC=C1Br)F CDS003017 [0,0,0,0,0,0|4,0,0]=4 5 B9R1.3 CC1=C(C=CC=C1O)Cl CDS003050 [0,0,0,0,0,0|3,0,1]=4 6 B9R1.3 CC1=C([N+](=CC=C1)C)C S619205 [0,0,0,0,0,0|4,0,0]=4 7 B9R1.3 CC1=CC=CC(=C1Br)Cl CDS003391 [0,0,0,0,0,0|3,0,0]=3 8 B9R1.3 CC1=CC=CC(=O)N1C T294608 [0,0,0,0,0,0|3,0,0]=3 9 B9R1.3 CC1=CC=CC(=[N+]1C)C R255319 [0,0,0,0,0,0|4,0,0]=4 10 B9R1.3 CC1=CC=CC(=[N+]1C)C S874248 [0,0,0,0,0,0|4,0,0]=4 11 B9R1.3 CC1=COC=C(C1=O)C T162310 [0,0,0,0,0,0|3,0,1]=4 12 B9R1.3 CC1=NC=NC(=C1O)O S217778 [0,0,0,0,0,0|2,0,1]=3 13 B9R1.3 FC1=CC=NC(=C1I)F MNO000157 [0,0,0,0,0,0|4,0,0]=4 14 B9R1.3 NC1=C(C(=CN=C1)Br)O ADE000768 [0,0,0,0,0,0|4,0,0]=4 15 B9R1.3 NC1=C(C(=NC=C1)Cl)I ADE000415 [0,0,0,0,0,0|4,0,0]=4 16 B9R1.3 NC1=C(C(=NC=C1)F)Br PHB00158 [0,0,0,0,0,0|4,0,0]=4 17 B9R1.3 NC1=C(C(=NC=C1)I)O ADE000631 [0,0,0,0,0,0|3,0,0]=3 18 B9R1.3 NC1=C(C=CC=C1Cl)I KOB0053 [0,0,0,0,0,0|4,0,0]=4 19 B9R1.3 NC1=C(C=CC=C1I)O CDS007998 [0,0,0,0,0,0|3,0,1]=4 20 B9R1.3 NC1=C(C=CC=C1O)O CDS003448 [0,0,0,0,0,0|3,0,1]=4 21 B9R1.3 NC1=C(C=CC=C1O)O PH009922 [0,0,0,0,0,0|3,0,1]=4 22 B9R1.3 NC1=CC=CC(=C1Br)Cl CDS023345 [0,0,0,0,0,0|4,0,0]=4 23 B9R1.3 NC1=CC=CC(=C1Br)F CDS004255 [0,0,0,0,0,0|4,0,0]=4 24 B9R1.3 NC1=CC=CC(=C1F)Br CDS023142 [0,0,0,0,0,0|4,0,0]=4 25 B9R1.3 NC1=CC=CC(=C1N)Br CDS020072 [0,0,0,0,0,0|4,0,0]=4 26 B9R1.3 NC1=CC=CC(=C1N)F CDS011409 [0,0,0,0,0,0|4,0,0]=4 27 B9R1.3 NC1=CC=CC(=C1N)N S915041 [0,0,0,0,0,0|4,0,0]=4 28 B9R1.3 NC1=CC=CC(=C1O)Br CDS020010 [0,0,0,0,0,0|3,0,0]=3 29 B9R1.3 NC1=CC=CC(=C1O)Cl TMT00393 [0,0,0,0,0,0|3,0,0]=3 30 B9R1.3 NC1=NC=CC(=C1I)Cl ADE000408 [0,0,0,0,0,0|4,0,0]=4 31 B9R1.3 OC1=C(C(=CC=C1)Cl)F CDS003101 [0,0,0,0,0,0|3,0,1]=4 32 B9R1.3 OC1=C(C=CN=C1I)Cl ADE000653 [0,0,0,0,0,0|3,0,0]=3 33 B9R1.3 SC1=CC=CC(=C1Cl)Cl R239429 [0,0,0,0,0,0|3,1,0]=4 34 B8R1.4 CC1=CC(=O)NC=C1 T162655 [1,0,0,0,0,0|2,0,0]=3 35 B8R1.4 CC1=CC=CC(=C1)N R647047 [1,0,0,0,0,0|2,0,0]=3 36 B8R1.4 CC1=CC=CC(=O)N1 S766364 [1,0,0,0,0,0|2,0,0]=3 37 B8R1.4 CC1=CC=NC(=O)C1 S681601 [1,0,0,0,0,0|2,0,1]=4 38 B8R1.4 CC1=C[N+](=CC=C1)C S619396 [1,0,0,0,0,0|3,0,0]=4 39 B8R1.4 CC1=NC(=CC=N1)Cl PHB00236 [1,0,0,0,0,0|3,0,0]=4 40 B8R1.4 CC1=NC(=CC=N1)N CDS014871 [1,0,0,0,0,0|3,0,0]=4 41 B8R1.4 CC1=NC=NC(=C1)S R901148 [1,0,0,0,0,0|2,1,0]=4 42 B8R1.4 NC1=CC(=O)N=CN1 ANV00026 [1,0,0,0,0,0|3,0,0]=4 43 B8R1.4 NC1=CC=CC(=C1)Cl S642665 [1,0,0,0,0,0|3,0,0]=4 44 B8R1.4 NC1=CC=NC(=C1)O CDS020248 [1,0,0,0,0,0|3,0,0]=4 45 B8R1.4 O=C1C=C(C=CN1)I KOB0152 [1,0,0,0,0,0|3,0,0]=4 46 B8R1.5 CC1=C(C=NC=C1)Cl T161152 [1,0,0,0,0,0|3,0,0]=4 47 B8R1.5 CC1=CN=CC=C1N CDS003217 [1,0,0,0,0,0|3,0,0]=4 48 B8R1.5 CC1=NC=CN=C1Cl CDS013629 [1,0,0,0,0,0|3,0,0]=4 49 B8R1.5 CC1=NC=CN=C1S PH014228 [1,0,0,0,0,0|2,1,0]=4 50 B8R1.5 C[N+]1=CC=CC=C1Cl S765678 [1,0,0,0,0,0|3,0,0]=4 51 B8R1.5 ClC1=CC=NC=C1Br CDS003116 [1,0,0,0,0,0|3,0,0]=4 52 B8R1.5 FC1=CC=CN=C1I ADE000285 [1,0,0,0,0,0|3,0,0]=4 53 B8R1.5 IC1=CC=CN=C1I ADE000256 [1,0,0,0,0,0|3,0,0]=4 54 B8R1.5 NC1=C(C=CC=C1)[S-] L133574 [1,0,0,0,0,0|2,1,0]=4 55 B8R1.5 NC1=C(C=CN=C1)O CDS004728 [1,0,0,0,0,0|2,0,1]=4 56 B8R1.5 NC1=C(C=NC=C1)O ADE000632 [1,0,0,0,0,0|2,0,0]=3 57 B8R1.5 NC1=CC=CC=C1O S378569 [1,0,0,0,0,0|2,0,0]=3 58 B8R1.5 NC1=CC=CN=C1O CDS007860 [1,0,0,0,0,0|3,0,0]=4 59 B8R1.5 NC1=CC=NC=C1Cl CDS010711 [1,0,0,0,0,0|3,0,0]=4 60 B8R1.5 O=C1C=CC=CN1[K] T160997 [1,0,0,0,0,0|3,0,0]=4 61 B8R1.5 O=C1NC=CC=C1Cl T161063 [1,0,0,0,0,0|3,0,0]=4 62 B8R1.5 OC1=C(C=CN=C1)Cl ADE000654 [1,0,0,0,0,0|2,0,0]=3 63 B8R1.5 OC1=C(C=NC=C1)I ADE000434 [1,0,0,0,0,0|2,0,1]=4 64 B8R1.5 OC1=CN=CC=C1Br CDS021897 [1,0,0,0,0,0|2,0,0]=3 65 B8R1.5 OC1=NC=CC=C1F CDS019950 [1,0,0,0,0,0|3,0,0]=4 66 B10R1.2 CC1=C(C(=CC=C1)C#N)C S445304 [0,1,0,0,0,0|3,0,0]=4 67 B10R1.2 CC1=C(C(=CC=C1)CBr)C CDS022040 [0,1,0,0,0,0|3,0,0]=4 68 B10R1.2 CC1=C(C=CC=C1CO)Cl CDS023048 [0,1,0,0,0,0|3,0,0]=4 69 B10R1.2 CC1=C(C=CN=C1CO)Cl T137049 [0,1,0,0,0,0|3,0,0]=4 70 B10R1.2 CC1=CC=CC(=C1C)NN R436321 [0,1,0,0,0,0|3,0,0]=4 71 B10R1.2 COC1=C(C(=CC=C1)C)O L167932 [0,1,0,0,0,0|1,0,1]=3 72 B10R1.2 COC1=CC=CC(=C1Cl)O CDS004291 [0,1,0,0,0,0|2,0,1]=4 73 B10R1.2 COC1=CC=CC(=C1N)Br CDS022850 [0,1,0,0,0,0|3,0,0]=4 74 B10R1.2 COC1=NC=CC(=C1Cl)O CDS024134 [0,1,0,0,0,0|2,0,1]=4 75 B10R1.2 CSC1=NC=CC(=O)N1C S859702 [0,1,0,0,0,0|3,0,0]=4 76 B10R1.2 ClC1=C(C(=CC=C1)CBr)Cl CDS003275 [0,1,0,0,0,0|3,0,0]=4 77 B10R1.2 ClCC1=CC=CC(=C1Cl)Cl CDS013551 [0,1,0,0,0,0|3,0,0]=4 78 B10R1.2 FC1=C(C=CC=C1CBr)Cl CDS003049 [0,1,0,0,0,0|3,0,0]=4 79 B10R1.2 O=CC1=C(C(=CC=C1)O)Br CDS004521 [0,1,0,0,0,0|3,0,0]=4 80 B10R1.2 O=CC1=CC=CC(=C1F)Br CDS017326 [0,1,0,0,0,0|3,0,0]=4 81 B10R1.2 O=CC1=CC=CC(=C1F)O PH015405 [0,1,0,0,0,0|3,0,0]=4 82 B10R1.2 OCC1=C(C(=CC=C1)Cl)F CDS021698 [0,1,0,0,0,0|3,0,0]=4 83 B10R1.2 OCC1=CC=CC(=C1F)Br CDS016758 [0,1,0,0,0,0|3,0,0]=4 84 B10R1.22 CC1=C(C(=CC(=C1)Cl)Cl)I R416231 [0,1,0,0,0,0|3,0,0]=4 85 B10R1.22 CC1=C(C(=CC(=C1)Cl)Cl)O S443786 [0,1,0,0,0,0|2,0,0]=3 86 B10R1.22 CC1=C(C(=O)CC(=O)O1)C PH016843 [0,1,0,0,0,0|1,0,1]=3 87 B10R1.22 CC1=C(C(=O)NC(=O)N1)I T340561 [0,1,0,0,0,0|3,0,0]=4 88 B10R1.22 CC1=CC(=C(C(=C1)Br)N)C S294144 [0,1,0,0,0,0|3,0,0]=4 89 B10R1.22 CC1=CC(=C(C(=C1)C)C)C CDS000400 [0,1,0,0,0,0|3,0,0]=4 90 B10R1.22 CC1=CC(=C(C(=C1)C)Cl)C PH010961 [0,1,0,0,0,0|3,0,0]=4 91 B10R1.22 CC1=CC(=C(C(=C1)C)I)C R258377 [0,1,0,0,0,0|3,0,0]=4 92 B10R1.22 CC1=CC(=C(C(=C1)Cl)O)Cl PH009955 [0,1,0,0,0,0|3,0,0]=4 93 B10R1.22 CC1=CC(=C(C(=C1)I)O)I S633119 [0,1,0,0,0,0|3,0,0]=4 94 B10R1.22 CC1=CC(=C(C(=N1)C)Br)O R456772 [0,1,0,0,0,0|2,0,1]=4 95 B10R1.22 CC1=CC(=C(C(=N1)C)Cl)O R746894 [0,1,0,0,0,0|2,0,1]=4 96 B10R1.22 CC1=CC(=C(C(=N1)C)N)C CBR01290 [0,1,0,0,0,0|3,0,0]=4 97 B10R1.22 CC1=CC(=C(C(=O)O1)Br)O PH002975 [0,1,0,0,0,0|2,0,1]=4 98 B10R1.22 CC1=CC(=C(C(=O)O1)C)O S763454 [0,1,0,0,0,0|2,0,1]=4 99 B10R1.22 CC1=CC(=CC(=C1F)C)Br CDS003019 [0,1,0,0,0,0|3,0,0]=4 100 B10R1.22 CC1=CC(=CC(=C1N)C)Cl PH000327 [0,1,0,0,0,0|3,0,0]=4 101 B10R1.22 CC1=CC(=CC(=C1O)C)I S842702 [0,1,0,0,0,0|2,0,0]=3 102 B10R1.22 CC1=CC(=CC(=C1O)N)N S943975 [0,1,0,0,0,0|2,0,0]=3 103 B10R1.22 CC1=CC(=NC(=C1N)C)Br CDS023145 [0,1,0,0,0,0|3,0,0]=4 104 B10R1.22 CC1=CC(=O)N(C(=C1)C)N CBR00430 [0,1,0,0,0,0|3,0,0]=4 105 B10R1.22 CC1=CC(=O)N(C(=N1)C)C PH007968 [0,1,0,0,0,0|3,0,0]=4 106 B10R1.22 CC1=CC(=[O+]C(=C1C)C)C S920193 [0,1,0,0,0,0|2,0,1]=4 107 B10R1.22 NC1=C(C(=CC(=C1)F)Br)O CDS021903 [0,1,0,0,0,0|3,0,0]=4 108 B10R1.22 NC1=CC(=C(C(=C1)Br)O)Cl CDS023792 [0,1,0,0,0,0|3,0,0]=4 109 B10R1.22 OC1=C(C=C(C=C1Cl)Br)Br S676977 [0,1,0,0,0,0|3,0,0]=4 110 B10R1.22 OC1=C(C=C(C=C1Cl)Cl)I S405183 [0,1,0,0,0,0|3,0,0]=4 111 B10R1.119 CC1=C(C(=C(C=C1)Cl)N)Cl PH011039 [0,1,0,0,0,0|3,0,0]=4 112 B10R1.119 CC1=C(C(=CC=C1Cl)N)Cl CBR00888 [0,1,0,0,0,0|3,0,0]=4 113 B10R1.119 CC1=C(C(=CC=C1F)O)Cl PH017188 [0,1,0,0,0,0|2,0,1]=4 114 B10R1.119 CC1=C(C(=CC=C1N)Br)C CDS022788 [0,1,0,0,0,0|3,0,0]=4 115 B10R1.119 CC1=C(C=CC(=C1Cl)O)Cl R426490 [0,1,0,0,0,0|2,0,1]=4 116 B10R1.119 CC1=C(C=C[N+](=C1C)[O-])Cl T138479 [0,1,0,0,0,0|3,0,0]=4 117 B10R1.119 CC1=C([N+](=CC=C1N)C)C S995037 [0,1,0,0,0,0|3,0,0]=4 118 B10R1.119 CC1=CC=C(C(=C1C)Br)C T332577 [0,1,0,0,0,0|3,0,0]=4 119 B10R1.119 CC1=CC=C(C(=C1C)N)N R228389 [0,1,0,0,0,0|3,0,0]=4 120 B10R1.119 CC1=CC=C(C(=C1F)O)F CDS021693 [0,1,0,0,0,0|2,0,1]=4 121 B10R1.119 CC1=CC=C(C(=C1N)C)N R750859 [0,1,0,0,0,0|3,0,0]=4 122 B10R1.119 OC1=C(C(=CC=C1F)Cl)F CDS002898 [0,1,0,0,0,0|3,0,0]=4 123 B10R1.245 CC1=C(C(=CC=C1)Br)C=O CDS024325 [0,1,0,0,0,0|2,0,1]=4 124 B10R1.245 CC1=C(C(=CC=C1)Cl)CN CDS000918 [0,1,0,0,0,0|3,0,0]=4 125 B10R1.245 CC1=CC=CC(=C1CBr)C CDS022041 [0,1,0,0,0,0|3,0,0]=4 126 B10R1.245 CC1=CC=CC(=C1CBr)F CDS020960 [0,1,0,0,0,0|3,0,0]=4 127 B10R1.245 CC1=CC=CC(=C1CO)C PH002994 [0,1,0,0,0,0|2,0,0]=3 128 B10R1.245 COC1=C(C=CC=C1Br)N CDS023930 [0,1,0,0,0,0|3,0,0]=4 129 B10R1.245 COC1=C(C=CC=C1Cl)F CDS002901 [0,1,0,0,0,0|3,0,0]=4 130 B10R1.245 COC1=C(C=CN=C1Br)I ADE000177 [0,1,0,0,0,0|3,0,0]=4 131 B10R1.245 COC1=C(C=CN=C1Br)O ADE000159 [0,1,0,0,0,0|2,0,1]=4 132 B10R1.245 COC1=C(C=CN=C1C)Cl CDS024135 [0,1,0,0,0,0|2,0,0]=3 133 B10R1.245 OCC1=C(C=CN=C1Cl)I ADE000565 [0,1,0,0,0,0|3,0,0]=4 134 B8R1.50 CC1=C(C(=NO1)N)C SYX00035 [0,0,0,0,1,0|3,0,0]=4 135 B8R1.50 CC1=NNC(=C1O)C S720429 [0,0,0,0,1,0|3,0,0]=4 136 B7R0.5 CC(OC=O)C(=O)O PH007044 [1,0,1,0,0,0|1,0,1]=4 137 B7R0.4 CCO/C=C/C(=O)O CDS016341 [1,0,1,0,0,0|0,0,1]=3 138 B7R1.3 CC1=CC=NC=C1 T256412 [2,0,0,0,0,0|2,0,0]=4 139 B7R1.3 CC1=CC=NC=C1 T330418 [2,0,0,0,0,0|2,0,0]=4 140 B7R1.3 NC1=CC=CC=C1 S698326 [2,0,0,0,0,0|2,0,0]=4 141 B7R1.3 NC1=CC=CC=N1 S822329 [2,0,0,0,0,0|2,0,0]=4 142 B7R1.3 O=C1C=CC=CN1 T160121 [2,0,0,0,0,0|2,0,0]=4 143 B7R1.3 O=C1C=CNC=C1 T161470 [2,0,0,0,0,0|1,0,0]=3 144 B7R1.3 O=C1C=CSC=C1 T162035 [2,0,0,0,0,0|0,1,0]=3 145 B7R1.3 OC1=CC=NC=C1 CDS013613 [2,0,0,0,0,0|1,0,1]=4 146 B7R1.3 S=C1C=CSC=C1 S874310 [2,0,0,0,0,0|0,2,0]=4 147 B7R1.3 [O-]C1=CC=CC=C1 CDS001581 [2,0,0,0,0,0|1,0,1]=4 148 B7R1.3 [S-]C1=CC=CC=C1 S578991 [2,0,0,0,0,0|1,1,0]=4 149 B9R1.2 CC1=CC(=CC=C1)[IH2]=O T330566 [1,1,0,0,0,0|1,0,0]=3 150 B9R1.2 CC1=CC(=CC=N1)CO L499730 [1,1,0,0,0,0|1,0,1]=4 151 B9R1.2 CC1=CC=CC(=C1)CS PH011231 [1,1,0,0,0,0|1,1,0]=4 152 B9R1.2 CC1=CC=NC(=C1)CN CDS018220 [1,1,0,0,0,0|2,0,0]=4 153 B9R1.2 CC1=CN=CC(=C1)C=O CDS015706 [1,1,0,0,0,0|2,0,0]=4 154 B9R1.2 CCC1=CC=CC(=C1)Br CDS013673 [1,1,0,0,0,0|2,0,0]=4 155 B9R1.2 CNC1=CC(=CC=C1)N S604097 [1,1,0,0,0,0|2,0,0]=4 156 B9R1.2 COC1=CC=CC(=C1)N CDS000467 [1,1,0,0,0,0|2,0,0]=4 157 B9R1.2 COC1=NC=CC(=C1)N ADE000354 [1,1,0,0,0,0|2,0,0]=4 158 B9R1.2 CSC1=CC=CC(=C1)O KOB0118 [1,1,0,0,0,0|1,0,1]=4 159 B9R1.2 NCC1=CC(=CC=C1)O CDS016848 [1,1,0,0,0,0|1,0,1]=4 160 B9R1.2 O=CC1=CC=NC(=C1)O CDS008008 [1,1,0,0,0,0|2,0,0]=4 161 B9R1.2 OCC1=NC=CC(=C1)Cl ADE000344 [1,1,0,0,0,0|2,0,0]=4 162 B9R1.34 CC1=CC(=CC(=C1)Br)F CDS003810 [1,1,0,0,0,0|2,0,0]=4 163 B9R1.34 CC1=CC(=CC(=N1)C)N CDS019979 [1,1,0,0,0,0|2,0,0]=4 164 B9R1.34 CC1=CC(=CC(=N1)C)O PH010817 [1,1,0,0,0,0|1,0,1]=4 165 B9R1.34 CC1=CC(=CC(=N1)O)O PH010608 [1,1,0,0,0,0|1,0,1]=4 166 B9R1.34 CC1=CC(=CC(=O)N1)O L479489 [1,1,0,0,0,0|1,0,1]=4 167 B9R1.34 CC1=CC(=CC(=O)N1)O OTV000023 [1,1,0,0,0,0|1,0,1]=4 168 B9R1.34 CC1=CC(=NC(=C1)C)C SYX00268 [1,1,0,0,0,0|2,0,0]=4 169 B9R1.34 CC1=CC(=S)C=C(O1)C S874272 [1,1,0,0,0,0|0,1,0]=3 170 B9R1.34 CC1=CC(=[O+]C(=C1)C)C S24105 [1,1,0,0,0,0|1,0,1]=4 171 B9R1.34 CC1=CC(=[O+]C(=C1)C)C S626848 [1,1,0,0,0,0|1,0,1]=4 172 B9R1.34 CC1=CC(=[O+]C(=C1)C)C S920134 [1,1,0,0,0,0|1,0,1]=4 173 B9R1.69 CC1=C(C=CC(=C1)Cl)I PH011333 [1,1,0,0,0,0|2,0,0]=4 174 B9R1.69 CC1=C(C=CC(=C1)F)S KOB0166 [1,1,0,0,0,0|2,0,0]=4 175 B9R1.69 CC1=C(C=CC(=C1)O)N S430048 [1,1,0,0,0,0|1,0,1]=4 176 B9R1.69 CC1=C(C=CC(=C1)S)F KOB0143 [1,1,0,0,0,0|1,1,0]=4 177 B9R1.69 CC1=CC(=C(C=C1)Br)Cl CDS003121 [1,1,0,0,0,0|2,0,0]=4 178 B9R1.69 CC1=CC(=C(C=C1)Cl)C T332828 [1,1,0,0,0,0|2,0,0]=4 179 B9R1.69 CC1=CC(=CC=C1N)N S442275 [1,1,0,0,0,0|2,0,0]=4 180 B9R1.69 CC1=CC=C(C(=C1)Br)N S741949 [1,1,0,0,0,0|2,0,0]=4 181 B9R1.69 CC1=CC=C(C(=C1)Br)N S908630 [1,1,0,0,0,0|2,0,0]=4 182 B9R1.69 CC1=CC=C(C(=C1)F)O CDS010738 [1,1,0,0,0,0|2,0,0]=4 183 B9R1.69 CC1=CC=C(C(=C1)I)I S943894 [1,1,0,0,0,0|2,0,0]=4 184 B9R1.69 CC1=CC=C(C(=C1)N)N S446149 [1,1,0,0,0,0|2,0,0]=4 185 B9R1.69 CC1=CC=[N+](C(=C1)C)[O-] S849057 [1,1,0,0,0,0|2,0,0]=4 186 B9R1.15 C(=O)C1=C(C=CC=C1)[O-] S17079 [1,1,0,0,0,0|1,0,1]=4 187 B9R1.15 CC1=C(C=CC=C1)NN R580260 [1,1,0,0,0,0|2,0,0]=4 188 B9R1.15 CC1=C(C=CC=C1)[IH2]=O T330531 [1,1,0,0,0,0|1,0,1]=4 189 B9R1.15 CC1=C(N=CC=C1)CCl PH010818 [1,1,0,0,0,0|2,0,0]=4 190 B9R1.15 CC1=CC=CN=C1CN CDS004048 [1,1,0,0,0,0|2,0,0]=4 191 B9R1.15 CC1=CN=CC=C1C=O CDS010214 [1,1,0,0,0,0|2,0,0]=4 192 B9R1.15 CC1=NC=CC=C1CBr MNO000159 [1,1,0,0,0,0|2,0,0]=4 193 B9R1.15 CC1=NC=CC=C1CCl CBR02441 [1,1,0,0,0,0|2,0,0]=4 194 B9R1.15 CNC1=C(C=CC=C1)F CDS000433 [1,1,0,0,0,0|2,0,0]=4 195 B9R1.15 CNC1=NC=CC=C1Cl T169315 [1,1,0,0,0,0|2,0,0]=4 196 B9R1.15 COC1=C(CC=CC1)C S864811 [1,1,0,0,0,0|1,0,1]=4 197 B9R1.15 COC1=CC=CC=C1N CDS000192 [1,1,0,0,0,0|2,0,0]=4 198 B9R1.15 COC1=NC=CC=C1N CDS002836 [1,1,0,0,0,0|2,0,0]=4 199 B9R1.15 NC1=CC=NC=C1CO ADE000311 [1,1,0,0,0,0|2,0,0]=4 200 B9R1.15 NC1=CN=CC=C1C=O ADE000254 [1,1,0,0,0,0|2,0,0]=4 201 B9R1.15 NC1=NC=CC=C1CO ADE000265 [1,1,0,0,0,0|2,0,0]=4 202 B9R1.15 NCC1=C(C=CC=C1)O CDS008020 [1,1,0,0,0,0|1,0,0]=3 203 B9R1.15 NCC1=CC=CC=C1Br T151114 [1,1,0,0,0,0|2,0,0]=4 204 B9R1.15 OCC1=CC=CC=N1O S459240 [1,1,0,0,0,0|2,0,0]=4 205 B9R1.15 OCC1=NC=CC=C1O R578177 [1,1,0,0,0,0|1,0,0]=3 206 B9R1.27 O=C1C=CC(=O)N1CO PH006878 [0,1,0,0,1,0|2,0,0]=4 207 B9R1.37 CC1=C(C(=C(O1)C)C)C L159700 [0,1,0,0,1,0|2,0,0]=4 208 B11R1.8 CC1=CC(=C(C(=C1)C=O)O)C CDS009678 [0,2,0,0,0,0|1,0,0]=3 209 B11R1.8 CCC1=NC(=CC(=C1O)N)C L211184 [0,2,0,0,0,0|2,0,0]=4 210 B11R1.8 COC1=C(C(=CC(=C1)O)Br)O R227900 [0,2,0,0,0,0|2,0,0]=4 211 B11R1.8 OCC1=CC(=CC(=C1O)Cl)Cl S548502 [0,2,0,0,0,0|2,0,0]=4 212 B11R1.13 CC1=C(C(=CC=C1)NC=O)C PH010206 [0,2,0,0,0,0|2,0,0]=4 213 B11R1.13 CCCC1=C(C(=CC=C1)C)O S405507 [0,2,0,0,0,0|2,0,0]=4 214 B11R1.72 CC1=CC=C(C(=C1F)C=O)F CDS001752 [0,2,0,0,0,0|2,0,0]=4 215 B11R1.72 COC1=C(C(=CC=C1O)F)C PH017341 [0,2,0,0,0,0|1,0,1]=4 216 B11R1.72 COC1=C(C=CC(=C1C)O)O L300217 [0,2,0,0,0,0|1,0,1]=4 217 B11R1.72 COC1=C(N(C=CC1=O)C)C PH007668 [0,2,0,0,0,0|1,0,0]=3 218 B11R1.159 CC1=CC=CC(=C1C)C(=O)Cl CDS001566 [0,2,0,0,0,0|2,0,0]=4 219 B11R1.159 CC1=CC=CC(=C1C)C(=O)N PH011109 [0,2,0,0,0,0|2,0,0]=4 220 B11R1.159 CC1=CC=CC(=C1Cl)C(=O)O CDS000445 [0,2,0,0,0,0|2,0,0]=4 221 B11R1.159 O=C(O)C1=C(C(=NC=C1)Cl)O PH015440 [0,2,0,0,0,0|2,0,0]=4 222 B11R1.159 O=[N+]([O-])C1=C(C(=CC=C1)Cl)O S577219 [0,2,0,0,0,0|2,0,0]=4 223 B11R1.159 O=[N+]([O-])C1=C(C(=CC=C1)O)O PH000226 [0,2,0,0,0,0|2,0,0]=4 224 B11R1.265 COC1=C(C=CC=C1C=O)Br CDS023099 [0,2,0,0,0,0|2,0,0]=4 225 B11R1.265 COC1=C(C=CC=C1C=O)Cl CDS021098 [0,2,0,0,0,0|2,0,0]=4 226 B11R1.265 COC1=C(C=CN=C1Br)C=O ADE000176 [0,2,0,0,0,0|2,0,0]=4 227 B11R1.265 COC1=NC=CC(=C1OC)I ADE000175 [0,2,0,0,0,0|2,0,0]=4 228 B11R1.267 CCC1=CC=CC(=C1O)CC CBR02039 [0,2,0,0,0,0|2,0,0]=4 229 B11R1.278 CC1=C(C(=C(C=C1)C=O)O)C ASX00132 [0,2,0,0,0,0|1,0,0]=3 230 B11R1.278 CC1=C(C=CC(=C1C)N=O)O L168378 [0,2,0,0,0,0|2,0,0]=4 231 B11R1.278 COC1=CC=C(C(=C1O)O)Br L134910 [0,2,0,0,0,0|1,0,1]=4 232 B11R1.14 CC1=CC(=CC(=C1O)C)N=O S449989 [0,2,0,0,0,0|2,0,0]=4 233 B11R1.32 CC1=C(C(=O)C(=C(N1)C)Br)Br L100307 [0,2,0,0,0,0|2,0,0]=4 234 B11R1.32 CC1=C(C(=O)C(=CC1=O)Cl)C R163597 [0,2,0,0,0,0|2,0,0]=4 235 B11R1.32 CC1=CC(=O)C(=C(C1=O)Br)C R539902 [0,2,0,0,0,0|2,0,0]=4 236 B11R1.32 CC1=CC(=O)C(=C(C1=O)C)C PH006916 [0,2,0,0,0,0|2,0,0]=4 237 B11R1.464 CC1=CC(=O)C(=C(O1)N)C#N PH008130 [0,2,0,0,0,0|2,0,0]=4 238 B11R1.464 COC1=C(C=C(C=C1C)O)C PH009142 [0,2,0,0,0,0|2,0,0]=4 239 B11R1.464 N1C(=O)NC(=O)C(=C1C)CO S462101 [0,2,0,0,0,0|2,0,0]=4 240 B11R1.156 CC1=CC=CC(=C1C(=O)O)Cl CDS000889 [0,2,0,0,0,0|2,0,0]=4 241 B11R1.156 CC1=CC=CC(=C1C(=O)O)F CDS007502 [0,2,0,0,0,0|2,0,0]=4 242 B11R1.605 CC1=CC=CC(=C1/C=N/O)C S670960 [0,2,0,0,0,0|2,0,0]=4 243 B9R1.41 O=C(O)C1=C(C=CO1)Br CDS020682 [0,0,1,1,0,0|2,0,0]=4 244 B9R1.1 CC1=CC=C(N=C1)C=O SYX00325 [0,0,1,1,0,0|2,0,0]=4 245 B7R1.2 BrC1=COC(=C1)Br T266507 [1,0,0,0,1,0|2,0,0]=4 246 B7R1.2 O=C1C=CC(=O)O1 S453374 [1,0,0,0,1,0|2,0,0]=4 247 B7R1.4 CC1=C(C=NO1)I CDS015521 [1,0,0,0,1,0|2,0,0]=4