0 B8R1.18 BrC1=CC(=C(O1)Br)Br PH002979 [0,0,0,0,0,0|4,0,0]=4 1 B8R1.18 CC1=C(OC(=O)O1)C TMT00459 [0,0,0,0,0,0|2,0,0]=2 2 B8R1.18 CC1=C(SC(=N1)Br)Br SYX00151 [0,0,0,0,0,0|2,1,0]=3 3 B8R1.18 CC1=C(SC(=N1)N)Br SYX00305 [0,0,0,0,0,0|2,1,0]=3 4 B8R1.18 CC1=C(SC(=N1)N)C S139696 [0,0,0,0,0,0|1,1,0]=2 5 B8R1.18 CC1=C(SC(=N1)N)F CDS024376 [0,0,0,0,0,0|2,1,0]=3 6 B8R1.18 CC1=C(SC(=N1)S)C PH009931 [0,0,0,0,0,0|1,1,0]=2 7 B8R1.18 CC1=CC(=C(O1)C)S CDS013831 [0,0,0,0,0,0|2,0,0]=2 8 B8R1.18 CC1=CC(=O)C(O1)C CDS000654 [0,0,0,0,0,0|2,0,1]=3 9 B8R1.18 CC1=CC(=O)NC1=O PH010527 [0,0,0,0,0,0|3,0,1]=4 10 B8R1.18 CC1=NC(=C(S1)Br)C CDS020883 [0,0,0,0,0,0|1,1,0]=2 11 B8R1.18 CC1=NC(=CN1C)Br CDS007637 [0,0,0,0,0,0|3,0,0]=3 12 B8R1.18 CC1=NC(=NN1C)Br CBR02160 [0,0,0,0,0,0|3,0,0]=3 13 B8R1.18 CC1=NC(=NN1C)Cl CBR02191 [0,0,0,0,0,0|3,0,0]=3 14 B8R1.18 CC1=NC(OC1C)C CDS001470 [0,0,0,0,0,0|0,0,2]=2 15 B8R1.18 CC1=NN(C(=C1)Br)C PHB00168 [0,0,0,0,0,0|3,0,0]=3 16 B8R1.18 CC1=NN(C(=C1)Cl)C R435937 [0,0,0,0,0,0|3,0,0]=3 17 B8R1.18 CC1=NN(C(=N1)Br)C CBR02189 [0,0,0,0,0,0|3,0,0]=3 18 B8R1.18 CC1=NN(C(=N1)Cl)C CBR02184 [0,0,0,0,0,0|3,0,0]=3 19 B8R1.18 CC1=NN(C=C1N)C CDS015732 [0,0,0,0,0,0|3,0,0]=3 20 B8R1.18 CC1CC(C(=O)O1)C S327565 [0,0,0,0,0,0|2,0,2]=4 21 B8R1.18 CC1SC(=NC1=O)N PH008402 [0,0,0,0,0,0|2,1,1]=4 22 B8R1.18 CN1C=C(C(=N1)N)N CBR01718 [0,0,0,0,0,0|4,0,0]=4 23 B8R1.18 CN1N=C(N=C1N)Cl CBR01692 [0,0,0,0,0,0|4,0,0]=4 24 B8R1.18 CN1N=C(NC1=O)Br CDS021279 [0,0,0,0,0,0|4,0,0]=4 25 B8R1.18 C[C@H]1CC(=O)O[C@H]1C T261912 [0,0,0,0,0,0|2,0,2]=4 26 B8R1.18 N1C(=NC(=C1I)I)C ANV00245 [0,0,0,0,0,0|3,0,0]=3 27 B8R1.18 O=C1OC(=C(O1)Cl)Cl PH008661 [0,0,0,0,0,0|4,0,0]=4 28 B7R1.2 BrC1=CC=C(O1)Br CDS000239 [1,0,0,0,0,0|3,0,0]=4 29 B7R1.2 BrC1=COC(=C1)Br T266507 [1,0,0,0,0,0|3,0,0]=4 30 B7R1.2 CC1=CSC(=N1)Br CDS007616 [1,0,0,0,0,0|1,1,0]=3 31 B7R1.2 CC1=CSC(=N1)N S366536 [1,0,0,0,0,0|1,1,0]=3 32 B7R1.2 CC1=NC(=NO1)N CBR00048 [1,0,0,0,0,0|2,0,0]=3 33 B7R1.2 CC1=NC=C(N1)I ANV00066 [1,0,0,0,0,0|2,0,0]=3 34 B7R1.2 CC1=NN=C(N1)N CDS003576 [1,0,0,0,0,0|3,0,0]=4 35 B7R1.2 CC1=NN=C(O1)N PH010741 [1,0,0,0,0,0|2,0,0]=3 36 B7R1.2 CC1=NN=C(S1)Cl CBR01742 [1,0,0,0,0,0|2,1,0]=4 37 B7R1.2 CC1=NN=C(S1)O CBR01599 [1,0,0,0,0,0|2,1,0]=4 38 B7R1.2 CC1=NNC(=C1)N CDS004036 [1,0,0,0,0,0|3,0,0]=4 39 B7R1.2 CC1=NNC(=N1)N CDS020216 [1,0,0,0,0,0|3,0,0]=4 40 B7R1.2 CC1=NOC(=N1)C PH016136 [1,0,0,0,0,0|1,0,0]=2 41 B7R1.2 CC1=NSC(=N1)Cl BBO000670 [1,0,0,0,0,0|2,1,0]=4 42 B7R1.2 CN1C=C(C=N1)N CDS019978 [1,0,0,0,0,0|3,0,0]=4 43 B7R1.2 CN1C=CC(=N1)Br SYX00074 [1,0,0,0,0,0|3,0,0]=4 44 B7R1.2 CN1C=CC(=N1)N CDS013782 [1,0,0,0,0,0|3,0,0]=4 45 B7R1.2 CN1C=NC(=N1)Br CBR01814 [1,0,0,0,0,0|3,0,0]=4 46 B7R1.2 CN1C=NC(=N1)Cl CBR02195 [1,0,0,0,0,0|3,0,0]=4 47 B7R1.2 CN1C=NC(=N1)N CBR00751 [1,0,0,0,0,0|3,0,0]=4 48 B7R1.2 ClC1=CSC(=N1)Cl KOB0068 [1,0,0,0,0,0|2,1,0]=4 49 B7R1.2 ClC1=NC(=CS1)Br SYX00210 [1,0,0,0,0,0|2,1,0]=4 50 B7R1.2 ClC1=NC=C(S1)Br SYX00075 [1,0,0,0,0,0|2,1,0]=4 51 B7R1.2 NC1=NC=C(S1)Cl CDS021716 [1,0,0,0,0,0|2,1,0]=4 52 B7R1.2 O=C1C=CC(=O)O1 S453374 [1,0,0,0,0,0|3,0,0]=4 53 B7R1.4 BrC1=C(NC=N1)Br S802263 [1,0,0,0,0,0|3,0,0]=4 54 B7R1.4 CC1=C(C=NO1)I CDS015521 [1,0,0,0,0,0|3,0,0]=4 55 B7R1.4 CC1=C(N=CN1)Br CDS022318 [1,0,0,0,0,0|2,0,0]=3 56 B7R1.4 CC1=NNC=C1I BML00217 [1,0,0,0,0,0|3,0,0]=4 57 B7R1.4 CN1C=CN=C1Cl CDS018561 [1,0,0,0,0,0|3,0,0]=4 58 B7R1.4 CN1C=CN=C1I ANV00120 [1,0,0,0,0,0|3,0,0]=4 59 B7R1.4 CN1C=CN=C1I CDS005078 [1,0,0,0,0,0|3,0,0]=4 60 B7R1.4 CN1C=CN=C1N CBR02443 [1,0,0,0,0,0|3,0,0]=4 61 B7R1.4 CN1N=CC=C1Br CBR02073 [1,0,0,0,0,0|3,0,0]=4 62 B7R1.4 CN1N=CN=C1Br CBR01745 [1,0,0,0,0,0|3,0,0]=4 63 B7R1.4 CN1N=CN=C1Cl CBR02194 [1,0,0,0,0,0|3,0,0]=4 64 B9R1.22 C(=O)C1=C(NC(=C1)C)C CDS008742 [0,1,0,0,0,0|1,0,2]=4 65 B9R1.22 C/C=C/1\N=C(OC1=O)C S739499 [0,1,0,0,0,0|1,0,0]=2 66 B9R1.22 CC1=C(SC(=N1)Br)CO JRD0285 [0,1,0,0,0,0|1,1,0]=3 67 B9R1.22 CC1=CC(=C(O1)C)CN CDS016961 [0,1,0,0,0,0|1,0,0]=2 68 B9R1.22 CC1=NC(=C(O1)CO)C CBR01508 [0,1,0,0,0,0|0,0,0]=1 69 B9R1.22 CC1=NN(C(=C1)C=O)C TMT00498 [0,1,0,0,0,0|2,0,1]=4 70 B9R1.22 CC1=NN(C(=N1)CCl)C CBR02108 [0,1,0,0,0,0|2,0,0]=3 71 B9R1.22 CC1=NN(C=C1C#N)C CBR01653 [0,1,0,0,0,0|2,0,1]=4 72 B9R1.22 CC1=NN(C=C1CCl)C CBR01550 [0,1,0,0,0,0|2,0,0]=3 73 B9R1.22 CCC1=C(N=C(N1)N)C PH017331 [0,1,0,0,0,0|2,0,0]=3 74 B9R1.22 CCC1=C(SC(=N1)N)C CBR01270 [0,1,0,0,0,0|1,1,0]=3 75 B9R1.22 CCC1=NN(C=C1Br)C CBR02192 [0,1,0,0,0,0|3,0,0]=4 76 B9R1.22 CCN1N=C(C=C1C)N CBR00033 [0,1,0,0,0,0|3,0,0]=4 77 B9R1.22 COC1=NC(=NN1C)Br CBR01617 [0,1,0,0,0,0|3,0,0]=4 78 B9R1.22 COC1=NC(=NN1C)Cl CBR01765 [0,1,0,0,0,0|3,0,0]=4 79 B9R1.22 OCC1=C(SC(=N1)Br)Br SYX00390 [0,1,0,0,0,0|2,1,0]=4 80 B9R1.23 C(=O)C1=NC(=C(N1)C)C CDS016039 [0,1,0,0,0,0|1,0,1]=3 81 B9R1.23 C(=O)C1=NN(C(=C1)C)C CDS014622 [0,1,0,0,0,0|2,0,1]=4 82 B9R1.23 CC1=C(NC(=N1)CCl)C CBR01668 [0,1,0,0,0,0|1,0,0]=2 83 B9R1.23 CC1=C(OC(=N1)CN)C CDS019139 [0,1,0,0,0,0|0,0,0]=1 84 B9R1.23 CC1=C(SC(=N1)C=O)Br CDS024428 [0,1,0,0,0,0|1,1,1]=4 85 B9R1.23 CC1=CC(=NN1C)CN CDS014686 [0,1,0,0,0,0|2,0,0]=3 86 B9R1.23 CCC1=NC(=C(O1)C)C CDS000714 [0,1,0,0,0,0|0,0,0]=1 87 B9R1.23 CCN1C=C(C(=N1)C)N CBR01279 [0,1,0,0,0,0|3,0,0]=4 88 B9R1.37 CC1=C(C(=C(N1)C)I)I L164151 [0,1,0,0,0,0|2,0,1]=4 89 B9R1.37 CC1=C(C(=C(O1)C)C)C L159700 [0,1,0,0,0,0|1,0,0]=2 90 B9R1.37 CC1=C(N(C(=O)N1)C)C CBR02435 [0,1,0,0,0,0|2,0,1]=4 91 B9R1.37 CC1=CC(=[N+](N1C)C)C R428507 [0,1,0,0,0,0|2,0,1]=4 92 B9R1.37 CC1=NC(=C(N1C)I)I PH002915 [0,1,0,0,0,0|3,0,0]=4 93 B9R1.37 CC1=NC(=C(N1O)C)C L498734 [0,1,0,0,0,0|1,0,0]=2 94 B9R1.37 CC1=NN(C(=C1Br)Cl)C PH002608 [0,1,0,0,0,0|3,0,0]=4 95 B9R1.37 CC1=NN(C(=C1I)C)C BML00265 [0,1,0,0,0,0|2,0,0]=3 96 B9R1.37 CC1=NN(C(=C1I)C)C CDS014870 [0,1,0,0,0,0|2,0,0]=3 97 B7R0.2 C=CC(C)OC(=O)C S413755 [0,0,1,0,0,0|1,0,2]=4 98 B7R0.2 CS/C(=N/C(=O)C)/N PH014070 [0,0,1,0,0,0|2,0,1]=4 99 B7R0.5 CCCC(=C(C)C)C R289469 [0,0,1,0,0,0|2,0,1]=4 100 B7R0.5 CO/C=C(\C)/C(=O)O PH008422 [0,0,1,0,0,0|3,0,0]=4 101 B9R1.34 CC1=CC(=CC(=N1)C)N CDS019979 [0,0,0,0,0,1|2,0,0]=3 102 B9R1.34 CC1=CC(=CC(=N1)C)O PH010817 [0,0,0,0,0,1|2,0,0]=3 103 B9R1.34 CC1=CC(=CC(=N1)O)O PH010608 [0,0,0,0,0,1|3,0,0]=4 104 B9R1.34 CC1=CC(=NC(=C1)C)C SYX00268 [0,0,0,0,0,1|1,0,0]=2 105 B9R1.34 CC1=CC(=NC(=N1)C)C PH009718 [0,0,0,0,0,1|1,0,0]=2 106 B9R1.34 CC1=CC(=NC(=N1)N)C S936685 [0,0,0,0,0,1|2,0,0]=3 107 B9R1.34 CC1=CC(=NC(=N1)O)C S368512 [0,0,0,0,0,1|2,0,0]=3 108 B9R1.34 CC1=CC(=NC(=N1)S)C R432288 [0,0,0,0,0,1|2,0,0]=3 109 B9R1.34 CC1=CC(=NC(=N1)S)C S439029 [0,0,0,0,0,1|2,0,0]=3 110 B9R1.34 CC1=CC(=NC(=O)N1)C PH000309 [0,0,0,0,0,1|2,0,0]=3 111 B9R1.34 CC1=CC(=S)C=C(O1)C S874272 [0,0,0,0,0,1|2,0,0]=3 112 B9R1.34 CC1=CC(=[O+]C(=C1)C)C S24105 [0,0,0,0,0,1|1,0,1]=3 113 B9R1.34 CC1=CC(=[O+]C(=C1)C)C S626848 [0,0,0,0,0,1|1,0,1]=3 114 B9R1.34 CC1=CC(=[O+]C(=C1)C)C S920134 [0,0,0,0,0,1|1,0,1]=3 115 B9R1.34 CC1=NC(=CC(=N1)O)Cl MNO000006 [0,0,0,0,0,1|3,0,0]=4 116 B9R1.34 CC1=NC(=CC(=N1)O)Cl S379018 [0,0,0,0,0,1|3,0,0]=4 117 B9R1.34 CC1=NC(=O)CC(=O)N1 S216828 [0,0,0,0,0,1|3,0,0]=4 118 B9R1.34 N1C(=S)N=C(C=C1C)C S25004 [0,0,0,0,0,1|2,0,0]=3 119 B9R1.69 CC1=C(C=CC(=N1)N)I ADE000318 [0,0,0,0,0,1|3,0,0]=4 120 B9R1.69 CC1=C(C=CC(=N1)O)I BCH00049 [0,0,0,0,0,1|3,0,0]=4 121 B9R1.69 CC1=C(C=NC(=C1)N)I ADE000313 [0,0,0,0,0,1|3,0,0]=4 122 B9R1.69 CC1=C(N=C(C=C1)Br)C CBR01845 [0,0,0,0,0,1|2,0,0]=3 123 B9R1.69 CC1=C(N=C(C=C1)Cl)I ADE001345 [0,0,0,0,0,1|3,0,0]=4 124 B9R1.69 CC1=C(N=C(N=C1)N)O CBR00408 [0,0,0,0,0,1|3,0,0]=4 125 B9R1.69 CC1=C(N=C(N=C1)S)S S783498 [0,0,0,0,0,1|3,0,0]=4 126 B9R1.69 CC1=C(N=CC(=C1)Br)F CDS003028 [0,0,0,0,0,1|3,0,0]=4 127 B9R1.69 CC1=CC(=C(C=C1)Cl)C T332828 [0,0,0,0,0,1|3,0,0]=4 128 B9R1.69 CC1=CC(=C(N=C1)F)I SYX00020 [0,0,0,0,0,1|3,0,0]=4 129 B9R1.69 CC1=CC(=CN=C1Br)N CDS014715 [0,0,0,0,0,1|3,0,0]=4 130 B9R1.69 CC1=CC(=CN=C1F)N CDS017686 [0,0,0,0,0,1|3,0,0]=4 131 B9R1.69 CC1=CC(=CN=C1N)I ADE000317 [0,0,0,0,0,1|3,0,0]=4 132 B9R1.69 CC1=CC(=NC=C1Cl)F CDS003110 [0,0,0,0,0,1|3,0,0]=4 133 B9R1.69 CC1=CC(=NC=C1N)Br CDS022688 [0,0,0,0,0,1|3,0,0]=4 134 B9R1.69 CC1=CC(=NC=C1N)Br PHB00200 [0,0,0,0,0,1|3,0,0]=4 135 B9R1.69 CC1=CN=C(C(=C1)C)Br KOB0174 [0,0,0,0,0,1|2,0,0]=3 136 B9R1.69 CC1=CN=C(C(=C1)C)N CBR01685 [0,0,0,0,0,1|2,0,0]=3 137 B9R1.69 CC1=CN=C(C(=C1)Cl)Cl ADE000749 [0,0,0,0,0,1|3,0,0]=4 138 B9R1.69 CC1=CN=C(C(=C1)I)Cl ADE000728 [0,0,0,0,0,1|3,0,0]=4 139 B9R1.69 CC1=CN=C(C(=C1)I)N ADE000412 [0,0,0,0,0,1|3,0,0]=4 140 B9R1.69 CC1=CN=C(C(=C1)I)O ADE000727 [0,0,0,0,0,1|3,0,0]=4 141 B9R1.69 CC1=CN=C(C(=C1)O)Cl ADE000745 [0,0,0,0,0,1|3,0,0]=4 142 B9R1.69 CC1=CN=C(C=C1I)Cl ADE000739 [0,0,0,0,0,1|3,0,0]=4 143 B9R1.69 CC1=CN=C(C=[N+]1C)C S334995 [0,0,0,0,0,1|2,0,0]=3 144 B9R1.69 CC1=NC(=C(C=C1)Br)F CDS021914 [0,0,0,0,0,1|3,0,0]=4 145 B9R1.69 CC1=NC(=C(C=C1)F)Br AGN00010 [0,0,0,0,0,1|3,0,0]=4 146 B9R1.69 CC1=NC(=C(C=C1)O)C S291315 [0,0,0,0,0,1|2,0,0]=3 147 B9R1.69 CC1=NC(=C(C=N1)C)Cl CBR00286 [0,0,0,0,0,1|2,0,0]=3 148 B9R1.69 CC1=NC(=CC=C1F)Br CDS002984 [0,0,0,0,0,1|3,0,0]=4 149 B9R1.69 CC1=NC(=NC=C1Br)Cl CDS021234 [0,0,0,0,0,1|3,0,0]=4 150 B9R1.69 CC1=NNC(=O)NC1=S OTV000356 [0,0,0,0,0,1|3,0,0]=4 151 B6R0.2 CC(=N)CC(=O)C S366234 [1,0,1,0,0,0|2,0,0]=4 152 B6R0.4 CO/N=C/C(=O)O CDS023875 [1,0,1,0,0,0|2,0,0]=4 153 B6R0.3 C/C(=C\Br)/C(=O)O S877522 [1,0,1,0,0,0|2,0,0]=4 154 B6R0.3 C/C=C(/Br)\C(=O)O S864633 [1,0,1,0,0,0|2,0,0]=4 155 B6R0.3 CC(=O)/C(=C/[O-])/C S808946 [1,0,1,0,0,0|1,0,1]=4 156 B6R1.2 BrC1=CC=CO1 CDS020809 [2,0,0,0,0,0|2,0,0]=4 157 B6R1.2 CC1=CC=NN1 CDS002430 [2,0,0,0,0,0|2,0,0]=4 158 B6R1.2 CC1=COC=C1 CDS019631 [2,0,0,0,0,0|1,0,0]=3 159 B6R1.2 CC1=NC=CS1 CDS000301 [2,0,0,0,0,0|0,1,0]=3 160 B6R1.2 CC1=NNC=N1 CDS020176 [2,0,0,0,0,0|2,0,0]=4 161 B6R1.2 N1C=CN=C1N CDS020502 [2,0,0,0,0,0|2,0,0]=4 162 B6R1.2 NC1=CN=CS1 CDS008189 [2,0,0,0,0,0|1,1,0]=4 163 B6R1.2 NC1=NC=CS1 R646520 [2,0,0,0,0,0|1,1,0]=4 164 B8R0.5 CC/C=C(\C)/C=C(C)C T181536 [0,1,1,0,0,0|2,0,0]=4 165 B8R0.23 CC(=O)/C(=C/C(=O)O)/C S548960 [0,1,1,0,0,0|2,0,0]=4 166 B8R0.23 CC(=O)ON(C)C(=O)C S295159 [0,1,1,0,0,0|2,0,0]=4 167 B8R0.3 CCOC(=O)/C(=N/O)/C S942979 [0,1,1,0,0,0|1,0,1]=4 168 B8R1.1 CC1=CC(=CS1)CO TMT00554 [1,1,0,0,0,0|1,1,0]=4 169 B8R1.1 CC1=CC(=NO1)CO L482684 [1,1,0,0,0,0|2,0,0]=4 170 B8R1.1 CC1=CN=C(O1)CN CDS008557 [1,1,0,0,0,0|0,0,0]=2 171 B8R1.1 CC1=CN=C(S1)C=O CDS011813 [1,1,0,0,0,0|0,1,1]=4 172 B8R1.1 CC1=CN=C(S1)CN CDS011809 [1,1,0,0,0,0|0,1,0]=3 173 B8R1.1 CC1=NC(=CO1)CO CBR02085 [1,1,0,0,0,0|0,0,0]=2 174 B8R1.1 CC1=NC(=CS1)CN CBR00687 [1,1,0,0,0,0|0,1,0]=3 175 B8R1.1 CC1=NC(=NO1)CBr CBR02188 [1,1,0,0,0,0|1,0,0]=3 176 B8R1.1 CC1=NC(=NO1)CN CBR01043 [1,1,0,0,0,0|1,0,0]=3 177 B8R1.1 CC1=NN=C(O1)CCl CDS022277 [1,1,0,0,0,0|1,0,0]=3 178 B8R1.1 CC1=NN=C(O1)CO CBR01937 [1,1,0,0,0,0|1,0,0]=3 179 B8R1.1 CC1=NNC(=C1)CN CBR01017 [1,1,0,0,0,0|2,0,0]=4 180 B8R1.1 CC1=NNC(=N1)CCl CBR02414 [1,1,0,0,0,0|2,0,0]=4 181 B8R1.1 CC1=NNC(=N1)CN PH017721 [1,1,0,0,0,0|2,0,0]=4 182 B8R1.1 CC1=NNC(=N1)CO CBR02415 [1,1,0,0,0,0|2,0,0]=4 183 B8R1.1 CC1=NOC(=C1)CN CBR00041 [1,1,0,0,0,0|2,0,0]=4 184 B8R1.1 CC1=NOC(=N1)CCl CDS019758 [1,1,0,0,0,0|1,0,0]=3 185 B8R1.1 CC1=NOC(=N1)CN CDS010118 [1,1,0,0,0,0|1,0,0]=3 186 B8R1.1 CCC1=CSC(=N1)N CBR01525 [1,1,0,0,0,0|1,1,0]=4 187 B8R1.1 CCC1=NOC(=N1)O CBR01637 [1,1,0,0,0,0|2,0,0]=4 188 B8R1.1 CN1C=C(C=N1)CCl CBR01696 [1,1,0,0,0,0|2,0,0]=4 189 B8R1.1 CN1C=NC(=C1)CN CDS017640 [1,1,0,0,0,0|2,0,0]=4 190 B8R1.1 CN1C=NC(=C1)CO CDS017610 [1,1,0,0,0,0|2,0,0]=4 191 B8R1.1 CNC1=NC=C(S1)Br CBR01741 [1,1,0,0,0,0|1,1,0]=4 192 B8R1.1 COC1=CN=C(S1)N CDS021689 [1,1,0,0,0,0|1,1,0]=4 193 B8R1.1 COC1=NC(=CS1)Br SYX00375 [1,1,0,0,0,0|1,1,0]=4 194 B8R1.1 COC1=NC=C(S1)Br SYX00323 [1,1,0,0,0,0|1,1,0]=4 195 B8R1.1 CSC1=NC(=CS1)Br SYX00338 [1,1,0,0,0,0|1,1,0]=4 196 B8R1.1 ClCC1=CSC(=N1)Cl SYX00330 [1,1,0,0,0,0|1,1,0]=4 197 B8R1.1 OCC1=CN=C(S1)Br SYX00336 [1,1,0,0,0,0|1,1,0]=4 198 B8R1.1 OCC1=CN=C(S1)Cl CDS013997 [1,1,0,0,0,0|1,1,0]=4 199 B8R1.1 OCC1=CSC(=N1)Br SYX00394 [1,1,0,0,0,0|1,1,0]=4 200 B8R1.50 CC1=NNC(=C1C)C CBR00071 [1,1,0,0,0,0|2,0,0]=4 201 B8R1.50 CC1=NNC(=C1N)C L203173 [1,1,0,0,0,0|2,0,0]=4 202 B8R1.50 CC1=NNC(=C1O)C S720429 [1,1,0,0,0,0|2,0,0]=4 203 B8R1.11 CC1=C(C=CO1)CN CDS019848 [1,1,0,0,0,0|1,0,0]=3 204 B8R1.11 CC1=C(NC=N1)CN CBR01683 [1,1,0,0,0,0|1,0,0]=3 205 B8R1.11 CC1=C(OC=C1)C=O CDS023087 [1,1,0,0,0,0|1,0,1]=4 206 B8R1.11 CC1=C(SC=C1)CN CDS015230 [1,1,0,0,0,0|1,1,0]=4 207 B8R1.11 CC1=NON=C1CN CDS002297 [1,1,0,0,0,0|2,0,0]=4 208 B8R1.11 CN1C=CN=C1CN CDS002678 [1,1,0,0,0,0|2,0,0]=4 209 B8R1.11 CN1C=CN=C1CO CDS014909 [1,1,0,0,0,0|2,0,0]=4 210 B8R1.11 CN1N=CC=C1CBr CDS023901 [1,1,0,0,0,0|2,0,0]=4 211 B10R1.8 CC1=CC(=CC(=C1)CN)C CDS003079 [0,1,0,0,0,1|2,0,0]=4 212 B10R1.8 CC1=CC(=CC(=N1)C)C#N CBR01586 [0,1,0,0,0,1|1,0,1]=4 213 B10R1.8 CC1=CC(=CC(=N1)Cl)CO JRD0950 [0,1,0,0,0,1|2,0,0]=4 214 B10R1.8 CC1=CC(=CC(=[O+]1)C)CCl S256331 [0,1,0,0,0,1|1,0,1]=4 215 B10R1.8 CC1=CC(=NC(=N1)CCl)C CDS019266 [0,1,0,0,0,1|1,0,0]=3 216 B10R1.8 CC1=CC(=NC(=N1)CN)O PH019082 [0,1,0,0,0,1|2,0,0]=4 217 B10R1.8 CCC1=NC(=NC(=C1)Cl)C CBR00125 [0,1,0,0,0,1|2,0,0]=4 218 B10R1.8 CNC1=NC(=NC(=C1)C)Cl CBR00058 [0,1,0,0,0,1|2,0,0]=4 219 B10R1.8 COC1=CC(=[O+]C(=C1)C)C R251313 [0,1,0,0,0,1|1,0,1]=4 220 B10R1.8 COC1=CC(=[O+]C(=C1)C)C S242004 [0,1,0,0,0,1|1,0,1]=4 221 B10R1.8 COC1=CC(=[O+]C(=C1)C)C S272183 [0,1,0,0,0,1|1,0,1]=4 222 B10R1.8 CSC1=CC(=[O+]C(=C1)C)C S874264 [0,1,0,0,0,1|1,0,1]=4 223 B10R1.8 CSC1=CC(=[S+]C(=C1)C)C S874256 [0,1,0,0,0,1|1,1,0]=4 224 B10R1.8 CSC1=NC(=CC(=N1)C)C PH000262 [0,1,0,0,0,1|1,0,0]=3 225 B10R1.8 CSC1=NC(=CC(=N1)C)Cl S344354 [0,1,0,0,0,1|2,0,0]=4 226 B10R1.8 CSC1=NC(=CC(=N1)S)C S363626 [0,1,0,0,0,1|2,0,0]=4 227 B10R1.8 CSC1=NC(=CC(=O)N1)C R683868 [0,1,0,0,0,1|2,0,0]=4 228 B10R1.8 CSC1=NC(=NC(=C1)C)O S784125 [0,1,0,0,0,1|2,0,0]=4 229 B10R1.22 CC1=CC(=C(C(=C1)C)C)C CDS000400 [0,1,0,0,0,1|2,0,0]=4 230 B10R1.22 CC1=CC(=C(C(=C1)C)Cl)C PH010961 [0,1,0,0,0,1|2,0,0]=4 231 B10R1.22 CC1=CC(=C(C(=C1)C)I)C R258377 [0,1,0,0,0,1|2,0,0]=4 232 B10R1.22 CC1=CC(=C(C(=N1)C)Br)O R456772 [0,1,0,0,0,1|2,0,0]=4 233 B10R1.22 CC1=CC(=C(C(=N1)C)Cl)O R746894 [0,1,0,0,0,1|2,0,0]=4 234 B10R1.22 CC1=CC(=C(C(=N1)C)N)C CBR01290 [0,1,0,0,0,1|1,0,0]=3 235 B10R1.22 CC1=CC(=NC(=C1N)C)Br CDS023145 [0,1,0,0,0,1|2,0,0]=4 236 B10R1.22 CC1=CC(=O)N(C(=N1)C)C PH007968 [0,1,0,0,0,1|2,0,0]=4 237 B10R1.22 CC1=CC(=[N+](C(=C1)C)C)C R255408 [0,1,0,0,0,1|1,0,1]=4 238 B10R1.22 CC1=CC(=[O+]C(=C1C)C)C S920193 [0,1,0,0,0,1|1,0,1]=4 239 B10R1.22 CC1=NC(=C(C(=N1)C)C)Cl CBR01736 [0,1,0,0,0,1|2,0,0]=4 240 B10R1.22 CC1=NC(=NC(=C1Br)C)Cl CDS021082 [0,1,0,0,0,1|2,0,0]=4 241 B10R1.22 CC1=NC(=NC(=C1Br)C)N S885924 [0,1,0,0,0,1|2,0,0]=4 242 B10R1.22 CC1=NC(=NC(=C1C)C)N CBR00277 [0,1,0,0,0,1|2,0,0]=4 243 B10R1.25 CC1=CC(=C(C=C1)CBr)C CDS022039 [0,1,0,0,0,1|2,0,0]=4 244 B10R1.25 CC1=CC(=C(C=C1)CCl)C T330094 [0,1,0,0,0,1|2,0,0]=4 245 B10R1.25 COC1=CN=C(N=C1O)C S217115 [0,1,0,0,0,1|2,0,0]=4 246 B10R1.25 COC1=NC=C(C=C1I)C ADE000726 [0,1,0,0,0,1|2,0,0]=4 247 B10R1.25 COC1=NC=C(C=C1O)C ADE000770 [0,1,0,0,0,1|2,0,0]=4 248 B10R1.30 CC1=CC(=C(C=C1)C)CN PH011334 [0,1,0,0,0,1|2,0,0]=4 249 B10R1.30 CC1=CC(=C(C=C1)C)CO PH017013 [0,1,0,0,0,1|2,0,0]=4 250 B10R1.30 CC1=CN=C(C(=C1)CO)Cl ADE000776 [0,1,0,0,0,1|2,0,0]=4 251 B10R1.30 CCC1=C(C=CC(=N1)Cl)C CBR01609 [0,1,0,0,0,1|2,0,0]=4 252 B10R1.30 COC1=C(C=CC(=N1)C)Br CDS020912 [0,1,0,0,0,1|2,0,0]=4 253 B10R1.30 COC1=CC(=CN=C1Cl)C ADE000750 [0,1,0,0,0,1|2,0,0]=4 254 B10R1.30 COC1=NC(=O)NC=C1C T263567 [0,1,0,0,0,1|2,0,0]=4 255 B10R1.118 CC1=C(CC(=C(C1)C)C)C R158577 [0,1,0,0,0,1|2,0,0]=4 256 B10R1.118 CC1=CC(=C(C=C1Cl)C)C S943592 [0,1,0,0,0,1|2,0,0]=4 257 B10R1.118 CC1=CC(=C(C=C1O)C)C PH017204 [0,1,0,0,0,1|2,0,0]=4 258 B10R1.119 CC1=CC=C(C(=C1C)Br)C T332577 [0,1,0,0,0,1|2,0,0]=4 259 B10R1.176 CC1=C(C=C(C=C1)CN)C CDS002514 [0,1,0,0,0,1|2,0,0]=4 260 B10R1.176 CNC1=CC(=C(C=N1)Br)C CDS022503 [0,1,0,0,0,1|2,0,0]=4 261 B10R1.176 COC1=CC(=C(C=N1)N)C CDS017400 [0,1,0,0,0,1|2,0,0]=4 262 B10R1.34 CC1=C(N(C(=N1)CO)C)C CBR00045 [0,2,0,0,0,0|1,0,0]=3 263 B10R1.34 CC1=NN(C(=C1Br)C)CO S358908 [0,2,0,0,0,0|2,0,0]=4 264 B10R1.34 CCC1=NN(C(=C1C)N)C CBR00337 [0,2,0,0,0,0|2,0,0]=4 265 B10R1.34 CCN1N=C(C(=C1C)N)C CBR01345 [0,2,0,0,0,0|2,0,0]=4 266 B10R1.34 COC1=NN(C(=C1N)C)C CBR01422 [0,2,0,0,0,0|2,0,0]=4 267 B10R1.59 CC(=O)C1=C(C=C(N1)C)C PH014632 [0,2,0,0,0,0|1,0,1]=4 268 B10R1.59 CC(=O)C1=C(N=C(S1)N)C S64638 [0,2,0,0,0,0|1,1,0]=4 269 B10R1.59 CC(=O)C1=C(N=C(S1)N)C S948659 [0,2,0,0,0,0|1,1,0]=4 270 B10R1.59 CC1=C(N=C(S1)N)C(C)C CDS023855 [0,2,0,0,0,0|1,1,0]=4 271 B10R1.59 CC1=CC(=C(O1)C(=O)O)C PH014459 [0,2,0,0,0,0|1,0,1]=4 272 B10R1.59 CC1=CC(=C(O1)C)C(=O)N S825395 [0,2,0,0,0,0|1,0,1]=4 273 B10R1.59 CC1=NC(=C(O1)Br)C(=O)O CDS023266 [0,2,0,0,0,0|1,0,1]=4 274 B10R1.59 CC1=NC(=C(O1)C(=O)O)C T324817 [0,2,0,0,0,0|0,0,1]=3 275 B10R1.59 CC1=NC(=C(S1)C)C(=O)O CDS007381 [0,2,0,0,0,0|0,1,1]=4 276 B10R1.59 CC1=NC(=C(S1)C)C(C)N CBR00692 [0,2,0,0,0,0|0,1,0]=3 277 B10R1.59 CC1=NC(=C(S1)C)C(C)N PH018721 [0,2,0,0,0,0|0,1,0]=3 278 B10R1.130 C=CCN1N=C(C=C1C)C S767913 [0,2,0,0,0,0|2,0,0]=4 279 B10R1.130 CC1=NN(C(=N1)C)CCO CBR00162 [0,2,0,0,0,0|2,0,0]=4 280 B10R1.130 CCOC1=CC(=NN1C)C PH007562 [0,2,0,0,0,0|2,0,0]=4 281 B10R1.130 CNCC1=CC(=NN1C)C CDS004240 [0,2,0,0,0,0|2,0,0]=4 282 B10R1.256 C#CC1=C(N(N=C1C)C)C CBR02164 [0,2,0,0,0,0|2,0,0]=4 283 B10R1.256 CC1=NN(C(=C1C#N)C)C CBR01379 [0,2,0,0,0,0|2,0,0]=4 284 B10R1.256 CC1=NN(C(=C1C=O)C)C CDS017435 [0,2,0,0,0,0|2,0,0]=4 285 B10R1.256 CC1=NN(C(=C1CO)C)C CBR00195 [0,2,0,0,0,0|2,0,0]=4 286 B10R1.256 CCC1=C(N(N=C1C)C)N CBR01003 [0,2,0,0,0,0|2,0,0]=4 287 B10R1.58 CC1=C(OC(=C1)C(=O)O)C CDS011379 [0,2,0,0,0,0|1,0,1]=4 288 B10R1.131 CC1=C(OC(=C1)/C=N/N)C R787213 [0,2,0,0,0,0|1,0,1]=4 289 B10R1.131 CC1=C(OC(=C1)/C=N/O)C R787221 [0,2,0,0,0,0|1,0,1]=4 290 B10R1.131 CC1=C(SC(=N1)CCN)C CBR00642 [0,2,0,0,0,0|0,1,0]=3 291 B10R1.191 CC1=C([N+](=C(N1O)C)[O-])C R253138 [0,2,0,0,0,0|1,0,1]=4 292 B8R1.4 CC1=CCCC(=O)C1 PH000095 [0,0,1,1,0,0|1,0,1]=4 293 B10R2.2 NC1=NC2=C(S1)CCC2 S454753 [0,1,0,1,0,0|1,1,0]=4 294 B8R1.3 CC1=CN=C(N=C1)N CDS009715 [1,0,0,0,0,1|2,0,0]=4 295 B8R1.3 CC1=CN=C(N=C1)O CBR01548 [1,0,0,0,0,1|2,0,0]=4 296 B8R1.3 CC1=NC=C(C=N1)Br CDS022509 [1,0,0,0,0,1|2,0,0]=4 297 B8R1.3 CC1=NN=C(C=C1)N CDS005355 [1,0,0,0,0,1|2,0,0]=4 298 B8R1.3 CC1=NN=C(N=N1)C T170577 [1,0,0,0,0,1|2,0,0]=4 299 B8R1.3 CC1=NNC(=O)C=C1 CDS000691 [1,0,0,0,0,1|2,0,0]=4