0 B11R1.3 C#CC1=CC=C(C=C1)C(C)C CDS003828 [0,0,0,0,0,0|1,0,1]=2 1 B11R1.3 C(=O)C1=CN=C(N=C1)N(C)C CBR00347 [0,0,0,0,0,0|3,0,0]=3 2 B11R1.3 CC(C)C1=CC=C(C=C1)CN L481181 [0,0,0,0,0,0|1,0,1]=2 3 B11R1.3 CC(C)C1=CC=C(C=C1)CN S362883 [0,0,0,0,0,0|1,0,1]=2 4 B11R1.3 CCC1=CC=C(C=C1)C(C)N CBR00761 [0,0,0,0,0,0|2,0,1]=3 5 B11R1.3 CCC1=CC=C(C=C1)C(C)N OTV000097 [0,0,0,0,0,0|2,0,1]=3 6 B11R1.3 CN(C)C1=CC=C(C=N1)C=O CDS015705 [0,0,0,0,0,0|2,0,0]=2 7 B11R1.3 COC1=CCC(=CC1)C(C)C T209813 [0,0,0,0,0,0|2,0,2]=4 8 B11R1.3 ClCC1=CC=C(C=C1)C(Cl)Cl PH007301 [0,0,0,0,0,0|3,0,1]=4 9 B11R1.3 O=CC1=CC=C(C=N1)[N+](=O)[O-] CDS010508 [0,0,0,0,0,0|4,0,0]=4 10 B10R1.3 BrCC1=CC=C(C=C1)CBr S36308 [1,0,0,0,0,0|2,0,1]=4 11 B10R1.3 C(=O)C1=CN=C(N=C1)OC CDS007915 [1,0,0,0,0,0|3,0,0]=4 12 B10R1.3 C=CC1=CC=C(C=C1)C#N CDS000773 [1,0,0,0,0,0|2,0,1]=4 13 B10R1.3 CCC1=CC=C(C=C1)CN L480800 [1,0,0,0,0,0|1,0,1]=3 14 B10R1.3 CCC1=CN=C(C=C1)CCl PH018993 [1,0,0,0,0,0|2,0,1]=4 15 B10R1.3 CCC1=CN=C(C=C1)CN PH017759 [1,0,0,0,0,0|2,0,1]=4 16 B10R1.3 CCC1=CN=C(C=C1)CO CBR01470 [1,0,0,0,0,0|1,0,2]=4 17 B10R1.3 CNC1=CC=C(C=C1)N=O S396362 [1,0,0,0,0,0|2,0,0]=3 18 B10R1.3 COC1=CC=C(C=C1)[Hg]Cl S881198 [1,0,0,0,0,0|3,0,0]=4 19 B10R1.3 CSC1=CC=C(C=C1)CN CDS002972 [1,0,0,0,0,0|2,0,1]=4 20 B10R1.3 N#CC1=CC=C(C=C1)CN CDS003082 [1,0,0,0,0,0|2,0,1]=4 21 B10R1.3 N#CC1=CC=C(C=C1)CS OTV000790 [1,0,0,0,0,0|2,0,1]=4 22 B10R1.3 NCC1=CC=C(C=C1)C=O PH018701 [1,0,0,0,0,0|1,0,0]=2 23 B10R1.3 NCC1=CC=C(C=C1)CO CDS017680 [1,0,0,0,0,0|1,0,2]=4 24 B10R1.3 O=CC1=CC=C(N=C1)CF PH016021 [1,0,0,0,0,0|2,0,0]=3 25 B10R1.3 [C-]#[N+]C1=CC=C(C=C1)CC PH015675 [1,0,0,0,0,0|2,0,0]=3 26 B10R1.13 C=C(C)C1=CC=C(C=C1)F CDS001211 [1,0,0,0,0,0|1,0,2]=4 27 B10R1.13 CC(C)C1=CC=C(C=C1)F S362034 [1,0,0,0,0,0|1,0,0]=2 28 B10R1.13 CC(C)C1=CC=C(C=C1)S R262188 [1,0,0,0,0,0|0,1,0]=2 29 B10R1.13 CC(C)C1=CCC(=O)CC1 T203416 [1,0,0,0,0,0|0,0,3]=4 30 B10R1.13 CN(C)C1=CC=C(C=C1)S CDS006116 [1,0,0,0,0,0|1,1,0]=3 31 B10R1.13 CN(C)C1=NC=C(C=C1)Br SYX00280 [1,0,0,0,0,0|3,0,0]=4 32 B10R1.13 C[N+]1=CC=C(C=C1)[S+](C)C S887838 [1,0,0,0,0,0|2,0,1]=4 33 B12R1.5 CCC(O)C1=CC=C(C=C1)OC S434906 [0,1,0,0,0,0|3,0,0]=4 34 B12R1.5 CCN(C)C1=CC=C(C=C1)C=O CDS023138 [0,1,0,0,0,0|1,0,0]=2 35 B12R1.5 CNC(C)C1=CC=C(C=C1)OC CBR00774 [0,1,0,0,0,0|2,0,0]=3 36 B12R1.5 COC(=O)C1=CC=C(N=C1)C=O CDS016358 [0,1,0,0,0,0|2,0,1]=4 37 B12R1.5 COC1=CC=C(C=C1)C(N)CF CVT00027 [0,1,0,0,0,0|3,0,0]=4 38 B12R1.5 COC1=CC=C(C=C1)C(O)CN CDS005190 [0,1,0,0,0,0|3,0,0]=4 39 B12R1.6 C(=O)C1=CC=C(C=C1)S(=O)(=O)Cl CDS021761 [0,1,0,0,0,0|3,0,0]=4 40 B12R1.6 COC1=CC=C(C=C1)C(C)(C)N OTV000616 [0,1,0,0,0,0|2,0,0]=3 41 B12R1.6 CS(=O)(=O)C1=CC=C(C=C1)C=O CDS003885 [0,1,0,0,0,0|2,0,0]=3 42 B12R1.6 CSC1=CC=C(C=C1)C(C)(C)C S918202 [0,1,0,0,0,0|2,0,0]=3 43 B12R1.48 CC(C)C1=CC=C(C(=C1)F)CN PH019497 [0,1,0,0,0,0|1,0,1]=3 44 B12R1.48 CC(C)C1=CC=C(C(=N1)Cl)C#N CBR01456 [0,1,0,0,0,0|2,0,1]=4 45 B12R1.48 CC1=CC(=CC=C1C=O)N(C)C PH010205 [0,1,0,0,0,0|1,0,0]=2 46 B12R1.48 CN(C)C1=NC(=C(C=C1)C=O)Cl CDS023869 [0,1,0,0,0,0|2,0,0]=3 47 B12R1.113 C(=O)CC1=CC=C(C=C1)C(C)C CDS020743 [0,1,0,0,0,0|0,0,0]=1 48 B12R1.113 C(=O)NC1=CC=C(C=C1)N(C)C T288748 [0,1,0,0,0,0|1,0,0]=2 49 B12R1.113 CC(=O)C1=CC=C(C=C1)NC=O S921378 [0,1,0,0,0,0|1,0,1]=3 50 B12R1.113 CC(C)C1=CC=C(C=C1)N=C=S S648868 [0,1,0,0,0,0|0,1,1]=3 51 B12R1.113 CN(C)C1=CC=C(C=C1)CCN CDS010287 [0,1,0,0,0,0|2,0,1]=4 52 B12R1.113 CN(C)C1=CC=C(C=C1)N=C=S PH011044 [0,1,0,0,0,0|1,1,1]=4 53 B12R1.113 CN(C)C1=CC=C(C=C1)SC#N S272302 [0,1,0,0,0,0|2,0,1]=4 54 B12R1.113 CN(C)C1=CC=C(C=C1)SC#N S837261 [0,1,0,0,0,0|2,0,1]=4 55 B12R1.256 CC(=O)C1=CC=C(C=C1)C(=O)N ANV00310 [0,1,0,0,0,0|1,0,1]=3 56 B12R1.256 CC(=O)C1=CC=C(C=C1)C(C)C CDS001469 [0,1,0,0,0,0|0,0,0]=1 57 B12R1.256 CC(=O)C1=CC=C(C=C1)C(C)N PH013768 [0,1,0,0,0,0|1,0,0]=2 58 B12R1.256 CC(=O)C1=CC=C(C=C1)N(C)C CDS000325 [0,1,0,0,0,0|1,0,0]=2 59 B12R1.256 CC(Br)C1=CC=C(C=C1)C(=O)O S621269 [0,1,0,0,0,0|1,0,0]=2 60 B12R1.256 CC(C)C1=CC=C(C=C1)B(O)O CDS013712 [0,1,0,0,0,0|1,0,1]=3 61 B12R1.256 CC(Cl)C1=CC=C(C=C1)[N+](=O)[O-] S799831 [0,1,0,0,0,0|2,0,0]=3 62 B12R1.256 CC(O)C1=CC=C(C=C1)C(C)O R581933 [0,1,0,0,0,0|1,0,2]=4 63 B12R1.256 CN(C)C1=CC=C(C=C1)C(=O)N EME00441 [0,1,0,0,0,0|1,0,0]=2 64 B12R1.256 CN(C)C1=CC=C(C=C1)N(C)C R462608 [0,1,0,0,0,0|3,0,0]=4 65 B12R1.256 CN(C)C1=NC=C(C=C1)C(=O)O CBR01958 [0,1,0,0,0,0|2,0,0]=3 66 B12R1.256 NC(=O)C1=CC=C(C=C1)C(=O)O CDS004491 [0,1,0,0,0,0|2,0,1]=4 67 B12R1.256 O=C(O)C1=CC=C(C=C1)[N+](=O)[O-] S175684 [0,1,0,0,0,0|3,0,0]=4 68 B12R1.256 O=C(S)C1=CC=C(C=C1)C(=O)S S427888 [0,1,0,0,0,0|2,0,1]=4 69 B12R1.256 O=[N+]([O-])C1=CC=C(C=C1)C(F)F MNO000032 [0,1,0,0,0,0|3,0,0]=4 70 B10R1.31 C(=O)C1=CC=C(O1)N(C)C CDS002392 [0,0,0,0,1,0|2,0,0]=3 71 B10R1.31 C(=O)C1=CC=C(S1)N(C)C CDS011356 [0,0,0,0,1,0|2,0,0]=3 72 B10R1.31 C(=O)C1=CSC(=N1)C(C)C SYX00125 [0,0,0,0,1,0|2,0,0]=3 73 B10R1.31 CC(C)C1=NC(=CO1)C=O CBR02086 [0,0,0,0,1,0|2,0,0]=3 74 B10R1.31 CN(C)C1=NC=C(S1)C=O CDS008483 [0,0,0,0,1,0|3,0,0]=4 75 B12R1.4 C#CC1=CC=C(C=C1)CC(C)C S683094 [0,0,0,0,0,1|1,0,1]=3 76 B12R1.4 C(=O)C1=CC=C(C=C1)C=C(Br)Br T304247 [0,0,0,0,0,1|2,0,1]=4 77 B12R1.4 C(=O)C1=CC=C(C=C1)OC(C)C CDS014228 [0,0,0,0,0,1|0,0,0]=1 78 B12R1.4 C=CC1=CC=C(C=C1)CN(C)C TMT00671 [0,0,0,0,0,1|2,0,0]=3 79 B12R1.4 CC(C)CC1=CC=C(C=C1)C#N PH017291 [0,0,0,0,0,1|1,0,1]=3 80 B12R1.4 CC(C)CC1=CC=C(C=C1)C=O CDS000461 [0,0,0,0,0,1|0,0,0]=1 81 B12R1.4 CN(C)CC1=CC=C(C=C1)C#N S683116 [0,0,0,0,0,1|2,0,1]=4 82 B12R1.4 COC1=CC=C(C=C1)NC(C)C PH009967 [0,0,0,0,0,1|2,0,0]=3 83 B9R1.1 C(=O)C1=CC=C(C=N1)Cl CDS015696 [2,0,0,0,0,0|2,0,0]=4 84 B9R1.1 C(=O)C1=CC=C(C=N1)Cl SYX00294 [2,0,0,0,0,0|2,0,0]=4 85 B9R1.1 CC1=CC=C(C=C1)CS S369497 [2,0,0,0,0,0|0,1,1]=4 86 B9R1.1 CC1=CC=C(C=C1)S[TlH2] S828378 [2,0,0,0,0,0|2,0,0]=4 87 B9R1.1 CC1=CC=C(C=C1)[Hg]Cl S706736 [2,0,0,0,0,0|2,0,0]=4 88 B9R1.1 CC1=CC=C(N=C1)C=O SYX00325 [2,0,0,0,0,0|1,0,0]=3 89 B9R1.1 CCC1=CC=[N+](C=C1)[O-] S869325 [2,0,0,0,0,0|1,0,1]=4 90 B9R1.1 CNC1=CC=C(C=C1)N TMT00162 [2,0,0,0,0,0|2,0,0]=4 91 B9R1.1 CNC1=CC=C(C=C1)[O-] R580708 [2,0,0,0,0,0|1,0,1]=4 92 B9R1.1 CSC1=CC=C(C=C1)Cl S633658 [2,0,0,0,0,0|2,0,0]=4 93 B9R1.1 CSC1=CC=C(C=C1)N S418595 [2,0,0,0,0,0|2,0,0]=4 94 B9R1.1 NCC1=CC=C(C=C1)F R750263 [2,0,0,0,0,0|2,0,0]=4 95 B9R1.1 NCC1=CC=C(C=C1)I CDS000797 [2,0,0,0,0,0|2,0,0]=4 96 B9R1.1 O=CC1=CC=C(C=N1)F CDS005163 [2,0,0,0,0,0|2,0,0]=4 97 B9R1.1 O=CC1=CC=C(N=C1)O CDS004063 [2,0,0,0,0,0|2,0,0]=4 98 B9R1.1 O=CC1=CNC(=O)C=C1 CDS007603 [2,0,0,0,0,0|2,0,0]=4 99 B9R1.6 CC(Br)C1=NC=CC=C1 CDS022641 [2,0,0,0,0,0|2,0,0]=4 100 B9R1.6 CC(C)C1=CC=NC=C1 R751863 [2,0,0,0,0,0|1,0,0]=3 101 B9R1.6 CC(N)C1=CC=CN=C1 BOG00119 [2,0,0,0,0,0|2,0,0]=4 102 B9R1.6 CC(N)C1=CC=CN=C1 CDS005298 [2,0,0,0,0,0|2,0,0]=4 103 B9R1.6 CC(S)C1=CC=CC=C1 CDS000677 [2,0,0,0,0,0|1,0,0]=3 104 B9R1.6 CN(N)C1=CC=CC=C1 S416320 [2,0,0,0,0,0|2,0,0]=4 105 B9R1.6 C[Te+](C)C1=CC=CC=C1 S14878 [2,0,0,0,0,0|1,0,0]=3 106 B11R1.83 C#CC1=CC=C(C=C1)CCC CDS004646 [1,1,0,0,0,0|1,0,1]=4 107 B11R1.83 C(=O)C1=CN=C(N=C1)SCC CBR00455 [1,1,0,0,0,0|2,0,0]=4 108 B11R1.83 CCC1=CC=C(C=C1)CC#N PH014677 [1,1,0,0,0,0|1,0,1]=4 109 B11R1.83 CCC1=CC=C(C=C1)CNC CDS016027 [1,1,0,0,0,0|1,0,1]=4 110 B11R1.83 CCC1=CC=C(C=C1)NC=O S623113 [1,1,0,0,0,0|0,0,0]=2 111 B11R1.83 CCCC1=NC=C(C=N1)C=O PH017947 [1,1,0,0,0,0|2,0,0]=4 112 B11R1.83 CCNC1=CC=C(C=C1)OC PH010476 [1,1,0,0,0,0|2,0,0]=4 113 B11R1.83 CCOC1=CC=C(C=C1)CN CDS003326 [1,1,0,0,0,0|1,0,1]=4 114 B11R1.83 CNCC1=CC=C(C=C1)OC CDS003884 [1,1,0,0,0,0|2,0,0]=4 115 B11R1.83 COC1=CC=C(C=C1)/C=N/O PH010671 [1,1,0,0,0,0|1,0,1]=4 116 B11R1.83 COC1=CC=C(C=C1)CSC S698008 [1,1,0,0,0,0|2,0,0]=4 117 B11R1.83 COCC1=CC=C(C=C1)OC S866288 [1,1,0,0,0,0|2,0,0]=4 118 B11R1.83 N#CC1=CC=C(C=C1)CCBr CDS023693 [1,1,0,0,0,0|1,0,1]=4 119 B11R1.83 N#CC1=CC=C(C=C1)CCO CDS014190 [1,1,0,0,0,0|1,0,1]=4 120 B11R1.279 CC1=CC(=CC=C1C=O)C#N CDS024329 [1,1,0,0,0,0|1,0,1]=4 121 B11R1.279 CCC1=CC(=C(C=C1)CC)N PH010292 [1,1,0,0,0,0|1,0,1]=4 122 B11R1.279 CCC1=CC(=C(C=C1)CN)F PH018848 [1,1,0,0,0,0|1,0,1]=4 123 B11R1.279 COC1=C(N=C(C=C1)C=O)Br CDS023947 [1,1,0,0,0,0|2,0,0]=4 124 B11R1.279 COC1=C(N=C(C=C1)C=O)C PH018772 [1,1,0,0,0,0|2,0,0]=4 125 B11R1.279 COC1=CC=C(C(=C1)Cl)C=O CDS013130 [1,1,0,0,0,0|1,0,0]=3 126 B11R1.279 COC1=COC(=CC1=O)C=O PH008671 [1,1,0,0,0,0|2,0,0]=4 127 B11R1.19 CC(C)(C)C1=CC=C(C=N1)O CDS010096 [1,1,0,0,0,0|1,0,1]=4 128 B11R1.19 CC(C)(C)C1=CC=[N+](C=C1)[O-] S748013 [1,1,0,0,0,0|1,0,1]=4 129 B11R1.19 CC(C)(N)C1=CC=C(C=C1)Cl OTV000619 [1,1,0,0,0,0|1,0,0]=3 130 B11R1.19 CC(C)(N)C1=CC=C(C=C1)F OTV000626 [1,1,0,0,0,0|1,0,0]=3 131 B11R1.19 CC1=CC=C(C=C1)C(C)(C)N PH010321 [1,1,0,0,0,0|0,0,1]=3 132 B11R1.19 CC1=CC=C(C=C1)[Te](C)(C)I S200972 [1,1,0,0,0,0|1,0,1]=4 133 B11R1.19 C[Si](C)(C)C1=CC=C(C=C1)O S757365 [1,1,0,0,0,0|0,1,1]=4 134 B11R1.21 CC(C)C1=CC(=C(C=C1)N)N CDS009515 [1,1,0,0,0,0|1,0,0]=3 135 B11R1.21 CC(C)C1=CC=C(C(=C1)N)O S818887 [1,1,0,0,0,0|0,0,1]=3 136 B11R1.21 CC(N)C1=CC=C(C(=C1)F)F CDS011131 [1,1,0,0,0,0|2,0,0]=4 137 B11R1.21 CC(O)C1=CC=C(C(=C1)Cl)Cl S345539 [1,1,0,0,0,0|2,0,0]=4 138 B11R1.21 CC1=CC=C(C=C1C)C(C)C S412686 [1,1,0,0,0,0|0,0,1]=3 139 B11R1.21 CC1=CC=C(C=C1O)N(C)C PH006982 [1,1,0,0,0,0|1,0,1]=4 140 B11R1.22 BrCC(Br)C1=CC=C(C=C1)Br S568422 [1,1,0,0,0,0|2,0,0]=4 141 B11R1.22 CCC(Cl)C1=CC=C(C=C1)C S722235 [1,1,0,0,0,0|1,0,1]=4 142 B11R1.22 CCC(N)C1=CC=C(C=C1)C CBR02307 [1,1,0,0,0,0|1,0,1]=4 143 B11R1.22 CCC(N)C1=CC=C(C=C1)F CDS005688 [1,1,0,0,0,0|2,0,0]=4 144 B11R1.22 CCC(N)C1=CC=C(C=C1)O CBR00896 [1,1,0,0,0,0|1,0,1]=4 145 B11R1.22 CCC(O)C1=CC=C(C=C1)Br S434892 [1,1,0,0,0,0|2,0,0]=4 146 B11R1.22 CCC(O)C1=CC=C(C=C1)Cl S434884 [1,1,0,0,0,0|2,0,0]=4 147 B11R1.22 CCC(O)C1=CC=C(C=C1)F S434876 [1,1,0,0,0,0|2,0,0]=4 148 B11R1.22 CC[C@@H](O)C1=CC=C(C=C1)Cl PH018690 [1,1,0,0,0,0|2,0,0]=4 149 B11R1.22 CC[C@H](O)C1=CC=C(C=C1)Cl PH018691 [1,1,0,0,0,0|2,0,0]=4 150 B11R1.22 CNC(C)C1=CC=C(C=C1)Cl CBR02474 [1,1,0,0,0,0|1,0,0]=3 151 B11R1.22 NC(CF)C1=CC=C(C=C1)F CVT00026 [1,1,0,0,0,0|2,0,0]=4 152 B11R1.22 NC(CO)C1=CC=C(C=C1)Br CDS023854 [1,1,0,0,0,0|2,0,0]=4 153 B11R1.166 CC(N)C1=CC=C(C=C1Cl)Cl CDS000450 [1,1,0,0,0,0|2,0,0]=4 154 B11R1.166 CC(O)C1=CC=C(C=C1Cl)Cl R161403 [1,1,0,0,0,0|2,0,0]=4 155 B11R1.166 CC(O)C1=CC=C(C=C1Cl)Cl S463965 [1,1,0,0,0,0|2,0,0]=4 156 B11R1.166 CC1=CC=C(C(=C1)Br)C(C)C S406864 [1,1,0,0,0,0|0,0,1]=3 157 B11R1.166 CC1=CC=C(C(=C1)Cl)N(C)C S504149 [1,1,0,0,0,0|1,0,1]=4 158 B11R1.166 CC1=CC=C(C(=C1)S)C(C)C PH007971 [1,1,0,0,0,0|0,0,1]=3 159 B11R1.166 CN(C)C1=C(C=C(C=C1)Br)N CBR01423 [1,1,0,0,0,0|2,0,0]=4 160 B11R1.166 CN(C)C1=C(C=C(C=C1)N)Cl CBR00671 [1,1,0,0,0,0|2,0,0]=4 161 B11R1.166 CN(C)C1=CC=C(C=C1N)Br CDS022330 [1,1,0,0,0,0|2,0,0]=4 162 B11R1.166 C[C@@H](O)C1=CC=C(C=C1Cl)F CDS023126 [1,1,0,0,0,0|2,0,0]=4 163 B11R1.166 C[C@H](O)C1=CC=C(C=C1Cl)F CDS023125 [1,1,0,0,0,0|2,0,0]=4 164 B11R1.45 C(=O)C1=CN(C=C1)C(C)(C)C CBR00127 [0,1,0,0,1,0|1,0,0]=3 165 B11R1.45 C(=O)C1=NNC(=C1)C(C)(C)C CBR00495 [0,1,0,0,1,0|2,0,0]=4 166 B11R1.175 CC(C)N1C=C(C=N1)C(=O)O CBR00220 [0,1,0,0,1,0|2,0,0]=4 167 B11R1.175 CC(C)N1C=CC(=N1)C(=O)O CDS002623 [0,1,0,0,1,0|2,0,0]=4 168 B13R1.4 CC(C)(C)OC1=CC=C(C=C1)CN OTV000346 [0,1,0,0,0,1|1,0,1]=4 169 B13R1.4 COC1=CC=C(C=C1)CC(C)(C)Cl S128953 [0,1,0,0,0,1|2,0,0]=4 170 B13R1.5 CCC(=O)OC1=CC=C(C=C1)C=O PH015230 [0,1,0,0,0,1|1,0,1]=4 171 B13R1.5 COC1=CC=C(C=C1)OC(C)CN PH015145 [0,1,0,0,0,1|2,0,0]=4 172 B13R1.35 C(=O)C1=C(C=C(C=C1)OC(=O)C)Cl R539104 [0,1,0,0,0,1|1,0,1]=4 173 B13R1.36 CN(C)C(=O)C1=CC=C(C=C1)C=O CDS022414 [0,1,0,0,0,1|1,0,0]=3 174 B13R1.585 CC(=O)OC1=CC=C(C=C1)C(=O)C S412341 [0,1,0,0,0,1|1,0,1]=4 175 B13R1.585 CC(C)CC1=CC=C(C=C1)C(=O)O PH011464 [0,1,0,0,0,1|0,0,0]=2 176 B13R1.585 CC(C)NC1=CC=C(C=C1)[N+](=O)[O-] VBP00002 [0,1,0,0,0,1|1,0,0]=3 177 B13R1.585 CC(C)OC1=CC=C(C=C1)C(=O)Cl PH010629 [0,1,0,0,0,1|0,0,0]=2 178 B13R1.585 CC(C)OC1=CC=C(C=C1)C(=O)N EME00442 [0,1,0,0,0,1|0,0,0]=2 179 B13R1.585 CC(C)OC1=CC=C(C=C1)[N+](=O)[O-] PH010976 [0,1,0,0,0,1|1,0,0]=3 180 B13R1.585 CN(C)CC1=CC=C(C=C1)[N+](=O)[O-] PH012028 [0,1,0,0,0,1|2,0,0]=4 181 B13R1.585 CN(C)CC1=CC=C(C=N1)C(=O)O PH015694 [0,1,0,0,0,1|2,0,0]=4 182 B13R1.585 NC(=O)C1=CC=C(C=C1)OC(F)F EME00446 [0,1,0,0,0,1|2,0,0]=4 183 B13R1.585 O=C(Cl)C1=CC=C(C=C1)OC(F)F CDS011319 [0,1,0,0,0,1|2,0,0]=4 184 B13R1.39 CCN(CC)C1=CC=C(C=N1)C=O CDS016590 [0,2,0,0,0,0|2,0,0]=4 185 B13R1.139 COC(=O)C1=CC=C(C=C1)NC=O PH006846 [0,2,0,0,0,0|1,0,1]=4 186 B13R1.187 C(=O)C1=CC=C(C=C1)C(C)(C)CC R178926 [0,2,0,0,0,0|0,0,0]=2 187 B13R1.187 CCC(C)(C)C1=CC=C(C=C1)CCl S521337 [0,2,0,0,0,0|1,0,1]=4 188 B13R1.187 CCC(C)(C)C1=CC=C(C=C1)OC S563390 [0,2,0,0,0,0|2,0,0]=4 189 B13R1.187 COC1=CC=C(C=C1)C(C)(C)C#N S313394 [0,2,0,0,0,0|2,0,0]=4 190 B13R1.187 COC1=CC=C(C=C1)C(C)(C)CN OTV000615 [0,2,0,0,0,0|2,0,0]=4 191 B13R1.187 COC1=CC=C(C=C1)C(C)(O)CN BBO000391 [0,2,0,0,0,0|2,0,0]=4 192 B13R1.537 CC(C)C1=CC=C(C=C1)C(=O)CCl OTV000348 [0,2,0,0,0,0|0,0,0]=2 193 B13R1.537 CC(C)C1=CC=C(C=C1)C(=O)NN PH011075 [0,2,0,0,0,0|0,0,0]=2 194 B13R1.537 CCC(=O)C1=CC=C(C=C1)C(C)C OTV000602 [0,2,0,0,0,0|0,0,0]=2 195 B13R1.537 CCC(=O)C1=CC=C(C=C1)N(C)C ANV00324 [0,2,0,0,0,0|1,0,0]=3 196 B13R1.537 CN(C)C1=CC=C(C=C1)C(=O)CBr CDS005074 [0,2,0,0,0,0|1,0,0]=3 197 B13R1.537 CNC(=O)C1=CC=C(C=C1)C(=O)O CDS015918 [0,2,0,0,0,0|1,0,1]=4 198 B13R1.537 COC(=O)C1=CC=C(C=C1)N(C)C PH011777 [0,2,0,0,0,0|1,0,0]=3 199 B13R1.537 NCC(O)C1=CC=C(C=C1)[N+](=O)[O-] S174025 [0,2,0,0,0,0|2,0,0]=4 200 B13R1.537 NCC(O)C1=CC=C(C=C1)[N+](=O)[O-] S39560 [0,2,0,0,0,0|2,0,0]=4 201 B13R1.537 NCC(O)C1=CC=C(C=C1)[N+](=O)[O-] S39579 [0,2,0,0,0,0|2,0,0]=4 202 B13R1.537 NCC(O)C1=CC=C(C=C1)[N+](=O)[O-] S61981 [0,2,0,0,0,0|2,0,0]=4 203 B13R1.537 O=[N+]([O-])C1=CC=C(C=C1)C(O)CO R416576 [0,2,0,0,0,0|2,0,0]=4 204 B13R1.38 C(=O)C1=CC=C(C=C1O)C(C)(C)C CDS004791 [0,2,0,0,0,0|0,0,0]=2 205 B13R1.38 CC(C)(C)C1=CC(=C(C=C1)CN)Cl PH015945 [0,2,0,0,0,0|1,0,1]=4 206 B13R1.38 CC(C)(C)C1=CC(=C(C=C1)CN)O PH015922 [0,2,0,0,0,0|1,0,1]=4 207 B13R1.96 CS(=O)(=O)C1=CC=C(C=C1F)C=O CDS023619 [0,2,0,0,0,0|2,0,0]=4 208 B13R1.140 C(=O)CC1=CC=C(C=C1)C(F)(F)F CDS023320 [0,2,0,0,0,0|2,0,0]=4 209 B13R1.140 CC(C)(C)C1=CC=C(C=C1)CCO CDS001486 [0,2,0,0,0,0|0,0,2]=4 210 B13R1.140 CCOC1=CC=C(C=C1)C(C)(C)C S527386 [0,2,0,0,0,0|1,0,1]=4 211 B13R1.140 CCOC1=CC=C(C=C1)C(C)(C)N CBR00817 [0,2,0,0,0,0|1,0,1]=4 212 B13R1.140 COCC1=CC=C(C=C1)C(C)(C)C S853062 [0,2,0,0,0,0|0,0,2]=4 213 B13R1.338 CC(=O)C1=CC=C(C=C1)C(C)(C)C S552089 [0,2,0,0,0,0|0,0,0]=2 214 B13R1.338 CC(Br)C1=CC=C(C=C1)S(=O)(=O)F S592757 [0,2,0,0,0,0|2,0,0]=4 215 B13R1.338 CC(C)(C)C1=CC=C(C=C1)C(=O)O S39099 [0,2,0,0,0,0|0,0,0]=2 216 B13R1.338 CC(C)(C)C1=CC=C(C=C1)[N+](=O)[O-] S918148 [0,2,0,0,0,0|1,0,0]=3 217 B13R1.338 CC(C)(O)C1=CC=C(C=C1)[N+](=O)[O-] S919039 [0,2,0,0,0,0|1,0,0]=3 218 B13R1.338 CC(C)C1=CC=C(C=C1)S(=O)(=O)N T315052 [0,2,0,0,0,0|1,0,0]=3 219 B13R1.338 CC(N)C1=CC=C(C=C1)C(C)(C)C CDS020210 [0,2,0,0,0,0|1,0,1]=4 220 B13R1.338 CC(N)C1=CC=C(C=C1)S(=O)(=O)C CDS015287 [0,2,0,0,0,0|2,0,0]=4 221 B13R1.338 CS(=O)(=O)C1=CC=C(C=C1)C(=O)N EME00434 [0,2,0,0,0,0|2,0,0]=4 222 B13R1.338 C[Si](C)(C)C1=CC=C(C=C1)[N+](=O)[O-] S813567 [0,2,0,0,0,0|1,1,0]=4 223 B13R1.338 O=C(O)C1=CC=C(C=C1)C(Cl)(Cl)Cl PH007229 [0,2,0,0,0,0|2,0,0]=4 224 B13R1.120 C=C(C)C1=CC=C(C=C1N)C(=O)O S336912 [0,2,0,0,0,0|0,0,2]=4 225 B13R1.120 CC1=C(C=CC(=C1)C(=O)O)N(C)C OTV000739 [0,2,0,0,0,0|1,0,0]=3 226 B13R1.120 CN(C)C1=CC=C(C(=C1)O)C(=O)O S462195 [0,2,0,0,0,0|1,0,0]=3 227 B13R1.144 CC1=C(C=CC(=C1)C(C)C)CCO PH014700 [0,2,0,0,0,0|0,0,2]=4 228 B13R1.144 CNCC1=CC=C(C=C1F)C(C)C PH019050 [0,2,0,0,0,0|1,0,1]=4 229 B13R1.3091 C(=O)C1=C(C=C(C=C1)N(C)C)OC R276847 [0,2,0,0,0,0|1,0,0]=3 230 B13R1.74 C#CCOC1=CC=C(C=C1)C(C)C CDS024017 [0,2,0,0,0,0|1,0,1]=4 231 B13R1.74 C(=O)COC1=CC=C(C=C1)C(C)C S275700 [0,2,0,0,0,0|0,0,0]=2 232 B13R1.74 CC(C)C1=CC=C(C=C1)CCCN CBR00007 [0,2,0,0,0,0|1,0,1]=4 233 B13R1.74 CC(C)C1=CC=C(C=C1)OCC#N S84647 [0,2,0,0,0,0|1,0,1]=4 234 B13R1.74 CC(C)C1=CC=C(C=C1)OCCN OTV000227 [0,2,0,0,0,0|1,0,1]=4 235 B13R1.99 C(=O)C1=CC(=C(C=C1)N(C)C)C#N CDS021658 [0,2,0,0,0,0|1,0,0]=3 236 B11R1.43 C(=O)C1=CC=C(S1)CC(C)C T322245 [0,0,1,1,0,0|1,0,1]=4 237 B13R2.185 N#CC1=CC=C(C=C1)C2CNC2 CDS019876 [0,1,0,1,0,0|1,0,1]=4 238 B13R2.2130 CN1CCC2=CC(=CC=C12)C=O OTV000668 [0,1,0,1,0,0|1,0,0]=3 239 B13R2.428 OB(O)C1=CC=C(C=C1)C2CC2 CDS008834 [0,1,0,1,0,0|1,0,1]=4 240 B9R1.21 CCC1=NC(=CN1)C=O PH017761 [1,0,0,0,1,0|2,0,0]=4 241 B9R1.21 CSC1=CC=C(S1)C=O CDS013663 [1,0,0,0,1,0|2,0,0]=4 242 B9R1.21 N1C(=CC=C1CC)C=O CBR01642 [1,0,0,0,1,0|1,0,0]=3 243 B11R1.20 CC(=CC1=CC=C(C=C1)Cl)C S428086 [1,0,0,0,0,1|1,0,1]=4 244 B11R1.20 CC(C)OC1=CC=C(C=C1)Br S671118 [1,0,0,0,0,1|1,0,0]=3 245 B11R1.20 CC(C)OC1=CC=C(C=C1)N CDS002559 [1,0,0,0,0,1|1,0,0]=3 246 B11R1.20 CC(C)OC1=CC=C(C=C1)N PH011325 [1,0,0,0,0,1|1,0,0]=3 247 B11R1.20 CC(C)SC1=CC=C(C=C1)Cl PH000601 [1,0,0,0,0,1|1,0,0]=3 248 B11R1.20 CN(C)CC1=CC=C(C=C1)Br PH012027 [1,0,0,0,0,1|2,0,0]=4 249 B11R1.266 C(=O)C1=CC=CC(=C1)C(F)F MNO000203 [0,0,0,0,1,1|2,0,0]=4 250 B11R1.266 C(=O)C1=CC=NC(=N1)C(C)C CBR00311 [0,0,0,0,1,1|1,0,0]=3 251 B11R1.266 CC(C)C1=CC=CC(=C1)C=O CDS004820 [0,0,0,0,1,1|0,0,0]=2