0 B4R0.1 C/C(N)=N/O AC511072 [0,0,0,0,0,0|4,0,0]=4 1 B4R0.1 CC(=C)CBr AC500207 [0,0,0,0,0,0|3,0,0]=3 2 B4R0.1 CC(=O)CN AC511171 [0,0,0,0,0,0|1,0,0]=1 3 B4R0.1 CC(=O)NN AC130308 [0,0,0,0,0,0|2,0,0]=2 4 B4R0.1 CC(=O)NO AC130286 [0,0,0,0,0,0|3,0,0]=3 5 B4R0.1 CC(=O)NO HY-B1235 [0,0,0,0,0,0|3,0,0]=3 6 B4R0.1 CC(C)NN AC130058 [0,0,0,0,0,0|3,0,1]=4 7 B4R0.1 CC(C)ON AC511892 [0,0,0,0,0,0|3,0,1]=4 8 B4R0.1 CC(N)CO AC510879 [0,0,0,0,0,0|3,0,1]=4 9 B4R0.1 CCB(O)O AC090161 [0,0,0,0,0,0|2,0,1]=3 10 B4R0.1 CCC(N)=N AC512090 [0,0,0,0,0,0|3,0,0]=3 11 B4R0.1 C[C@@H](O)CN AC180581 [0,0,0,0,0,0|1,0,1]=2 12 B4R0.1 C[C@H](N)CO AC511021 [0,0,0,0,0,0|3,0,1]=4 13 B4R0.1 NC(=N)CCl AC070120 [0,0,0,0,0,0|3,0,0]=3 14 B4R0.1 NC(=O)CBr AC500017 [0,0,0,0,0,0|2,0,0]=2 15 B4R0.1 NC(=O)NO HY-B0313 [0,0,0,0,0,0|3,0,0]=3 16 B4R0.1 NCC(N)=O AC511550 [0,0,0,0,0,0|1,0,0]=1 17 B4R0.1 NNC(N)=N HY-B1041 [0,0,0,0,0,0|3,0,0]=3 18 B4R0.1 NNC(N)=O AC131764 [0,0,0,0,0,0|2,0,0]=2 19 B4R0.1 ON=C(Br)Br AC510358 [0,0,0,0,0,0|4,0,0]=4 20 B3R0.1 CCC[CH2-] AC310111 [1,0,0,0,0,0|2,0,1]=4 21 B3R0.1 NCCBr AC500278 [1,0,0,0,0,0|1,0,1]=3 22 B3R0.1 NCCS HY-77591 [1,0,0,0,0,0|0,1,1]=3 23 B3R0.1 NCCS HY-77591A [1,0,0,0,0,0|0,1,1]=3 24 B3R0.1 OCCF AC500326 [1,0,0,0,0,0|1,0,1]=3 25 B3R0.2 CB(O)O AC500190 [1,0,0,0,0,0|1,0,1]=3 26 B3R0.2 CC(=O)[O-] LN00194400 [1,0,0,0,0,0|0,0,1]=2 27 B3R0.2 CC(N)=S AC510891 [1,0,0,0,0,0|1,1,0]=3 28 B3R0.2 CC([O-])=O AC180064 [1,0,0,0,0,0|0,0,1]=2 29 B3R0.2 CC([O-])=O AC180277 [1,0,0,0,0,0|0,0,1]=2 30 B3R0.2 CC([O-])=O AC511050 [1,0,0,0,0,0|0,0,1]=2 31 B3R0.2 CN(C)C AC130299 [1,0,0,0,0,0|3,0,0]=4 32 B3R0.2 CP(C)=O AC130246 [1,0,0,0,0,0|2,0,0]=3 33 B3R0.2 NC(N)=N HY-B0178A [1,0,0,0,0,0|2,0,0]=3 34 B5R0.1 CC(=O)CC#N AC511126 [0,1,0,0,0,0|1,0,1]=3 35 B5R0.1 CCCB(O)O AC500236 [0,1,0,0,0,0|2,0,1]=4 36 B5R0.1 CCCC([O-])=O HY-B0350A [0,1,0,0,0,0|1,0,1]=3 37 B5R0.1 CCOC(C)=N AC510695 [0,1,0,0,0,0|3,0,0]=4 38 B5R0.1 CCOC(N)=O HY-B1207 [0,1,0,0,0,0|2,0,0]=3 39 B5R0.1 CCOC([S-])=S AC510653 [0,1,0,0,0,0|1,2,0]=4 40 B5R0.1 CNCC(O)=O AC500168 [0,1,0,0,0,0|0,0,0]=1 41 B5R0.1 COCC(N)=N AC182354 [0,1,0,0,0,0|3,0,0]=4 42 B5R0.1 C[C@@H](O)CCO AC500114 [0,1,0,0,0,0|2,0,1]=4 43 B5R0.1 NCCC(N)=O AC510910 [0,1,0,0,0,0|1,0,0]=2 44 B5R0.1 NCCS(O)=O HY-100803 [0,1,0,0,0,0|1,0,0]=2 45 B5R0.1 OC(=O)CC#C AC511130 [0,1,0,0,0,0|1,0,0]=2 46 B5R0.1 OCC[N+]([O-])=O AC510890 [0,1,0,0,0,0|2,0,1]=4 47 B5R0.3 C(C(CN)O)N LN00002764 [0,1,0,0,0,0|1,0,1]=3 48 B5R0.3 CCC(=N)NO AC050497 [0,1,0,0,0,0|2,0,0]=3 49 B5R0.3 COC(=O)CO AC190202 [0,1,0,0,0,0|1,0,0]=2 50 B5R0.3 COC(=S)NN AC060048 [0,1,0,0,0,0|1,1,0]=3 51 B5R0.3 NC(CO)CO AC500076 [0,1,0,0,0,0|2,0,1]=4 52 B5R0.3 NCC(O)CN AC131522 [0,1,0,0,0,0|1,0,1]=3 53 B5R0.3 NCC(O)CO AC180224 [0,1,0,0,0,0|0,0,2]=3 54 B5R0.3 NC[C@@H](O)CO AC181109 [0,1,0,0,0,0|0,0,2]=3 55 B5R0.3 OCC(=C)CO AC511178 [0,1,0,0,0,0|2,0,0]=3 56 B5R0.3 OCC(O)CO HY-B1659 [0,1,0,0,0,0|1,0,2]=4 57 B5R0.3 OC[C@@H](O)CCl AC510842 [0,1,0,0,0,0|1,0,2]=4 58 B5R0.4 CC(C)(O)CN AC500020 [0,1,0,0,0,0|1,0,1]=3 59 B5R0.4 CC(C)(O)CO AC511880 [0,1,0,0,0,0|2,0,1]=4 60 B5R0.4 CCS(N)(=O)=O AC181603 [0,1,0,0,0,0|2,0,1]=4 61 B5R0.4 NCC(F)(F)F AC500328 [0,1,0,0,0,0|2,0,1]=4 62 B5R0.4 NOS(O)(=O)=O AC130279 [0,1,0,0,0,0|2,0,0]=3 63 B5R0.5 CC(=O)C(O)=O AC500188 [0,1,0,0,0,0|1,0,1]=3 64 B5R0.5 CC(C(=N)O)N LN00156053 [0,1,0,0,0,0|1,0,0]=2 65 B5R0.5 CC(C)B(O)O AC190241 [0,1,0,0,0,0|2,0,1]=4 66 B5R0.5 OC(=O)C(F)=C AC511915 [0,1,0,0,0,0|1,0,1]=3 67 B5R1.2 CC1CNC1 LN00002078 [0,0,0,1,0,0|2,0,1]=4 68 B5R1.2 FC1CNC1 AC160493 [0,0,0,1,0,0|2,0,1]=4 69 B5R1.2 O=C1CCC1 AC130256 [0,0,0,1,0,0|2,0,0]=3 70 B5R1.2 O=C1COC1 AC130304 [0,0,0,1,0,0|2,0,0]=3 71 B5R1.2 O=C1CSC1 AC010018 [0,0,0,1,0,0|2,0,0]=3 72 B5R1.2 OC1CNC1 AC181502 [0,0,0,1,0,0|1,0,1]=3 73 B5R1.2 OC1COC1 AC510959 [0,0,0,1,0,0|2,0,1]=4 74 B5R1.3 NCC1CC1 AC030129 [0,0,0,1,0,0|2,0,1]=4 75 B2R0.1 CC#N AC180295 [2,0,0,0,0,0|1,0,1]=4 76 B2R0.1 CCBr AC190165 [2,0,0,0,0,0|1,0,1]=4 77 B2R0.1 CNO AC500043 [2,0,0,0,0,0|1,0,0]=3 78 B2R0.1 CON AC131051 [2,0,0,0,0,0|1,0,1]=4 79 B2R0.1 NC=N AC510902 [2,0,0,0,0,0|1,0,0]=3 80 B2R0.1 [CH2-]C=C LN00238817 [2,0,0,0,0,0|1,0,1]=4 81 B4R0.2 C=CCNN LN00005406 [1,1,0,0,0,0|1,0,0]=3 82 B4R0.2 CNCC#N AC180278 [1,1,0,0,0,0|1,0,1]=4 83 B4R0.2 CNCCN AC182659 [1,1,0,0,0,0|1,0,1]=4 84 B4R0.2 CNCCO AC500171 [1,1,0,0,0,0|0,0,1]=3 85 B4R0.2 NCCC#N AC130167 [1,1,0,0,0,0|1,0,1]=4 86 B4R0.2 NOCC#C AC010099 [1,1,0,0,0,0|1,0,1]=4 87 B4R0.2 OCCC#C AC180055 [1,1,0,0,0,0|1,0,1]=4 88 B4R0.2 OCCC#N AC130358 [1,1,0,0,0,0|0,0,2]=4 89 B4R0.2 OCCCBr AC500014 [1,1,0,0,0,0|1,0,1]=4 90 B4R0.2 OCCCO AC510799 [1,1,0,0,0,0|1,0,1]=4 91 B4R0.3 CS(=O)(=S)[O-] LN01307937 [1,1,0,0,0,0|1,0,1]=4 92 B4R0.3 CS(C)(=N)=O AC051108 [1,1,0,0,0,0|2,0,0]=4 93 B4R0.3 OS(O)(=O)=O AC500295 [1,1,0,0,0,0|2,0,0]=4 94 B6R0.1 CCOC(=O)CI AC131813 [0,2,0,0,0,0|1,0,0]=3 95 B6R0.1 CCOC(=O)CO AC130521 [0,2,0,0,0,0|1,0,0]=3 96 B6R0.1 CCOC(=O)CS AC130132 [0,2,0,0,0,0|1,0,0]=3 97 B6R0.1 COC(=O)CCBr AC511067 [0,2,0,0,0,0|1,0,0]=3 98 B6R0.1 COC(=O)CCN AC510724 [0,2,0,0,0,0|0,0,0]=2 99 B6R0.1 NNC(=O)CC#N AC130190 [0,2,0,0,0,0|1,0,1]=4 100 B6R0.1 NNC(=O)CC#N HY-B0994 [0,2,0,0,0,0|1,0,1]=4 101 B6R0.2 CC(C)CC(N)=O HY-B1229 [0,2,0,0,0,0|2,0,0]=4 102 B6R0.2 CN(C)CC(O)=O AC130146 [0,2,0,0,0,0|0,0,0]=2 103 B6R0.2 CN(C)CC(O)=O AC130178 [0,2,0,0,0,0|0,0,0]=2 104 B6R0.2 C[C@@H](CC(=O)O)N LN01357699 [0,2,0,0,0,0|0,0,0]=2 105 B6R0.2 C[C@H](N)CC(O)=O AC130275 [0,2,0,0,0,0|0,0,0]=2 106 B6R0.2 NC(=N)CC(N)=O AC500311 [0,2,0,0,0,0|1,0,0]=3 107 B6R0.3 CC(C)C(Cl)=NO AC010412 [0,2,0,0,0,0|2,0,0]=4 108 B6R0.3 CCC(=O)N(C)C AC130337 [0,2,0,0,0,0|2,0,0]=4 109 B6R0.3 CCC(C)C(O)=O AC180050 [0,2,0,0,0,0|1,0,0]=3 110 B6R0.3 CCC(N)C(N)=O AC021619 [0,2,0,0,0,0|1,0,0]=3 111 B6R0.3 CC[C@@H](N)C(O)=O AC180579 [0,2,0,0,0,0|0,0,0]=2 112 B6R0.3 CC[C@H](N)C(O)=O AC511519 [0,2,0,0,0,0|0,0,0]=2 113 B6R0.3 CN(C)C(=O)CBr AC511120 [0,2,0,0,0,0|2,0,0]=4 114 B6R0.3 CN(C)C(=O)CN AC190042 [0,2,0,0,0,0|1,0,0]=3 115 B6R0.3 COC(=O)C(C)C AC130130 [0,2,0,0,0,0|1,0,0]=3 116 B6R0.3 COC(=O)[C@@H](C)N AC511504 [0,2,0,0,0,0|0,0,0]=2 117 B6R0.3 COC(=O)[C@H](C)N AC500273 [0,2,0,0,0,0|0,0,0]=2 118 B6R0.3 COC(C)C(O)=O AC511149 [0,2,0,0,0,0|1,0,0]=3 119 B6R0.3 CO[C@@H](C)C(O)=O AC100006 [0,2,0,0,0,0|1,0,0]=3 120 B6R0.3 NC[C@H](N)C(O)=O AC511517 [0,2,0,0,0,0|0,0,0]=2 121 B6R0.3 N[C@H](CO)C(O)=O AC180073 [0,2,0,0,0,0|0,0,0]=2 122 B6R0.3 N[C@H](CS)C(O)=O AC180279 [0,2,0,0,0,0|0,0,0]=2 123 B6R0.3 OC(=O)C(=O)CBr HY-19992 [0,2,0,0,0,0|1,0,0]=3 124 B6R0.4 CC(=O)CCCCl AC511746 [0,2,0,0,0,0|2,0,0]=4 125 B6R0.4 CC(=O)OCCBr AC511000 [0,2,0,0,0,0|2,0,0]=4 126 B6R0.4 CCCOC(N)=O AC512151 [0,2,0,0,0,0|2,0,0]=4 127 B6R0.4 COCCC(O)=O AC100057 [0,2,0,0,0,0|1,0,0]=3 128 B6R0.4 CSCCC(O)=O HY-101401 [0,2,0,0,0,0|1,0,0]=3 129 B6R0.4 OC(=O)CCC#C AC510868 [0,2,0,0,0,0|1,0,0]=3 130 B6R0.4 OC(=O)CCC#N AC512077 [0,2,0,0,0,0|0,0,1]=3 131 B6R0.4 OC(=O)CCC=C AC511045 [0,2,0,0,0,0|1,0,0]=3 132 B6R0.4 OC(=O)CCCBr AC511629 [0,2,0,0,0,0|1,0,0]=3 133 B6R0.4 [O-]C(=O)CCC#C HY-15286 [0,2,0,0,0,0|1,0,1]=4 134 B6R0.5 CS(=O)(=O)CCN AC181731 [0,2,0,0,0,0|1,0,1]=4 135 B6R0.5 NCCS(O)(=O)=O HY-B0351 [0,2,0,0,0,0|1,0,0]=3 136 B6R0.8 NCC(F)(F)CO AC050309 [0,2,0,0,0,0|1,0,1]=4 137 B6R0.8 NCC(F)(F)CO AC060034 [0,2,0,0,0,0|1,0,1]=4 138 B6R0.7 CC(C)(Br)C(N)=O AC511105 [0,2,0,0,0,0|2,0,0]=4 139 B6R0.7 CC(C)(Br)C(O)=O AC130551 [0,2,0,0,0,0|1,0,0]=3 140 B6R0.7 CC(C)(C)C(O)=O AC190056 [0,2,0,0,0,0|1,0,0]=3 141 B6R0.7 CC(C)(N)C(O)=O AC510892 [0,2,0,0,0,0|0,0,0]=2 142 B6R0.7 CC(Cl)(Cl)C(O)=O AC130054 [0,2,0,0,0,0|1,0,0]=3 143 B6R0.7 CC(F)(F)C(O)=O AC220123 [0,2,0,0,0,0|1,0,0]=3 144 B6R0.7 NC(=O)C(F)(F)F AC500318 [0,2,0,0,0,0|2,0,0]=4 145 B6R0.7 OC(=O)C(F)(F)Cl AC130068 [0,2,0,0,0,0|1,0,0]=3 146 B6R0.7 [O-]C(=O)C(F)(F)Br AC040155 [0,2,0,0,0,0|1,0,1]=4 147 B6R0.7 [O-]C(=O)C(F)(F)Cl AC130070 [0,2,0,0,0,0|1,0,1]=4 148 B6R0.7 [O-]C(=O)C(F)(F)F AC500027 [0,2,0,0,0,0|1,0,1]=4 149 B4R1.1 C1CNC1 AC510737 [1,0,0,1,0,0|1,0,1]=4 150 B4R1.1 C1CNC1 LN00174679 [1,0,0,1,0,0|1,0,1]=4 151 B4R1.2 NC1CC1 AC130048 [1,0,0,1,0,0|1,0,1]=4 152 B6R1.2 C1CNC[C@@H]1O LN00165601 [0,1,0,1,0,0|1,0,1]=4 153 B6R1.2 C1CSCC1=O LN00009539 [0,1,0,1,0,0|1,1,0]=4 154 B6R1.2 O=C1CC=NN1 AC250038 [0,1,0,1,0,0|1,0,1]=4 155 B6R1.2 O=C1CCNC1 AC220156 [0,1,0,1,0,0|1,0,0]=3 156 B6R1.2 O=C1CCNC1 AC511910 [0,1,0,1,0,0|1,0,0]=3 157 B6R1.2 O=C1CCNN1 AC130160 [0,1,0,1,0,0|1,0,0]=3 158 B6R1.2 O=C1CCOC1 AC220014 [0,1,0,1,0,0|1,0,0]=3 159 B6R1.2 O=C1NCCO1 AC510795 [0,1,0,1,0,0|1,0,0]=3 160 B6R1.2 OC1CCNC1 AC181524 [0,1,0,1,0,0|1,0,1]=4 161 B6R1.2 O[C@H]1CCNC1 AC021101 [0,1,0,1,0,0|1,0,1]=4 162 B6R1.2 O[C@H]1CCNC1 AC510620 [0,1,0,1,0,0|1,0,1]=4 163 B6R1.5 NC1CC(O)C1 AC182699 [0,1,0,1,0,0|1,0,1]=4 164 B6R1.11 OC(=O)C1CC1 AC500051 [0,1,0,1,0,0|1,0,0]=3 165 B6R1.6 COC1CNC1 AC510658 [0,1,0,1,0,0|1,0,1]=4 166 B6R1.6 OCC1CNC1 AC190004 [0,1,0,1,0,0|1,0,1]=4 167 B6R1.7 NCC1(O)CC1 AC511236 [0,1,0,1,0,0|1,0,1]=4