0 B5R0.5 CC(=O)C(O)=O AC500188 [0,0,0,0,0,0|0,0,2]=2 1 B5R0.5 CC(C(=N)O)N LN00156053 [0,0,0,0,0,0|2,0,0]=2 2 B5R0.5 CC(C)B(O)O AC190241 [0,0,0,0,0,0|2,0,1]=3 3 B5R0.5 OB(O)B(O)O AC511106 [0,0,0,0,0,0|3,0,1]=4 4 B5R0.5 OC(=O)C(F)=C AC511915 [0,0,0,0,0,0|1,0,2]=3 5 B4R0.1 C/C(N)=N/O AC511072 [1,0,0,0,0,0|2,0,1]=4 6 B4R0.1 CC(=C)CBr AC500207 [1,0,0,0,0,0|3,0,0]=4 7 B4R0.1 CC(=O)CN AC511171 [1,0,0,0,0,0|2,0,0]=3 8 B4R0.1 CC(=O)NN AC130308 [1,0,0,0,0,0|3,0,0]=4 9 B4R0.1 CC(=O)NO AC130286 [1,0,0,0,0,0|2,0,0]=3 10 B4R0.1 CC(=O)NO HY-B1235 [1,0,0,0,0,0|2,0,0]=3 11 B4R0.1 CC(C)NN AC130058 [1,0,0,0,0,0|3,0,0]=4 12 B4R0.1 CC(C)ON AC511892 [1,0,0,0,0,0|3,0,0]=4 13 B4R0.1 CC(N)CO AC510879 [1,0,0,0,0,0|1,0,1]=3 14 B4R0.1 CCB(O)O AC090161 [1,0,0,0,0,0|1,0,1]=3 15 B4R0.1 CCC(N)=N AC512090 [1,0,0,0,0,0|2,0,0]=3 16 B4R0.1 C[C@@H](O)CN AC180581 [1,0,0,0,0,0|1,0,1]=3 17 B4R0.1 C[C@H](N)CO AC511021 [1,0,0,0,0,0|1,0,1]=3 18 B4R0.1 NC(=N)CCl AC070120 [1,0,0,0,0,0|3,0,0]=4 19 B4R0.1 NC(=O)CBr AC500017 [1,0,0,0,0,0|2,0,0]=3 20 B4R0.1 NC(=O)NO HY-B0313 [1,0,0,0,0,0|2,0,0]=3 21 B4R0.1 NCC(N)=O AC511550 [1,0,0,0,0,0|2,0,0]=3 22 B4R0.1 NNC(N)=O AC131764 [1,0,0,0,0,0|3,0,0]=4 23 B4R0.1 ON=C(Br)Br AC510358 [1,0,0,0,0,0|3,0,0]=4 24 B6R0.3 CC(C)C(Cl)=NO AC010412 [0,1,0,0,0,0|2,0,0]=3 25 B6R0.3 CC(C)[C@@H](N)CO AC180576 [0,1,0,0,0,0|2,0,1]=4 26 B6R0.3 CC(C)[C@H](N)CO AC510687 [0,1,0,0,0,0|2,0,1]=4 27 B6R0.3 CCC(=O)N(C)C AC130337 [0,1,0,0,0,0|3,0,0]=4 28 B6R0.3 CCC(C)C(O)=O AC180050 [0,1,0,0,0,0|1,0,0]=2 29 B6R0.3 CCC(N)C(N)=O AC021619 [0,1,0,0,0,0|2,0,0]=3 30 B6R0.3 CC[C@@H](N)C(O)=O AC180579 [0,1,0,0,0,0|1,0,0]=2 31 B6R0.3 CC[C@H](N)C(O)=O AC511519 [0,1,0,0,0,0|1,0,0]=2 32 B6R0.3 CN(C)C(=O)CBr AC511120 [0,1,0,0,0,0|3,0,0]=4 33 B6R0.3 CN(C)C(=O)CN AC190042 [0,1,0,0,0,0|3,0,0]=4 34 B6R0.3 COC(=O)C(C)C AC130130 [0,1,0,0,0,0|1,0,0]=2 35 B6R0.3 COC(=O)[C@@H](C)N AC511504 [0,1,0,0,0,0|1,0,0]=2 36 B6R0.3 COC(=O)[C@H](C)N AC500273 [0,1,0,0,0,0|1,0,0]=2 37 B6R0.3 COC(C)C(O)=O AC511149 [0,1,0,0,0,0|0,0,0]=1 38 B6R0.3 CON(C)C(C)=O AC130053 [0,1,0,0,0,0|2,0,0]=3 39 B6R0.3 CO[C@@H](C)C(O)=O AC100006 [0,1,0,0,0,0|0,0,0]=1 40 B6R0.3 NC[C@H](N)C(O)=O AC511517 [0,1,0,0,0,0|1,0,0]=2 41 B6R0.3 N[C@H](CO)C(O)=O AC180073 [0,1,0,0,0,0|1,0,0]=2 42 B6R0.3 N[C@H](CS)C(O)=O AC180279 [0,1,0,0,0,0|1,0,0]=2 43 B6R0.3 OC(=O)C(=O)CBr HY-19992 [0,1,0,0,0,0|0,0,2]=3 44 B6R0.7 CC(C)(Br)C(N)=O AC511105 [0,1,0,0,0,0|2,0,0]=3 45 B6R0.7 CC(C)(Br)C(O)=O AC130551 [0,1,0,0,0,0|1,0,0]=2 46 B6R0.7 CC(C)(C)C(O)=O AC190056 [0,1,0,0,0,0|1,0,0]=2 47 B6R0.7 CC(C)(C)S(N)=O AC500025 [0,1,0,0,0,0|3,0,0]=4 48 B6R0.7 CC(C)(C)S(N)=O AC500098 [0,1,0,0,0,0|3,0,0]=4 49 B6R0.7 CC(C)(C)[S@](N)=O AC500106 [0,1,0,0,0,0|3,0,0]=4 50 B6R0.7 CC(C)(N)C(O)=O AC510892 [0,1,0,0,0,0|1,0,0]=2 51 B6R0.7 CC(C)S(N)(=O)=O AC511195 [0,1,0,0,0,0|2,0,1]=4 52 B6R0.7 CC(Cl)(Cl)C(O)=O AC130054 [0,1,0,0,0,0|1,0,0]=2 53 B6R0.7 CC(F)(F)C(O)=O AC220123 [0,1,0,0,0,0|1,0,0]=2 54 B6R0.7 NC(=O)C(F)(F)F AC500318 [0,1,0,0,0,0|3,0,0]=4 55 B6R0.7 OC(=O)C(F)(F)Cl AC130068 [0,1,0,0,0,0|2,0,0]=3 56 B6R0.7 [O-]C(=O)C(F)(F)Br AC040155 [0,1,0,0,0,0|2,0,1]=4 57 B6R0.7 [O-]C(=O)C(F)(F)Cl AC130070 [0,1,0,0,0,0|2,0,1]=4 58 B6R0.7 [O-]C(=O)C(F)(F)F AC500027 [0,1,0,0,0,0|2,0,1]=4 59 B6R1.11 OB(O)C1CC1 AC010332 [0,0,0,1,0,0|2,0,1]=4 60 B6R1.11 OC(=O)C1CC1 AC500051 [0,0,0,1,0,0|1,0,0]=2 61 B6R0.2 CC(C)CB(O)O AC090213 [0,0,0,0,0,1|2,0,1]=4 62 B6R0.2 CC(C)CB(O)O LN00119640 [0,0,0,0,0,1|2,0,1]=4 63 B6R0.2 CC(C)CC(N)=O HY-B1229 [0,0,0,0,0,1|2,0,0]=3 64 B6R0.2 CN(C)CC(O)=O AC130146 [0,0,0,0,0,1|2,0,0]=3 65 B6R0.2 CN(C)CC(O)=O AC130178 [0,0,0,0,0,1|2,0,0]=3 66 B6R0.2 C[C@@H](CC(=O)O)N LN01357699 [0,0,0,0,0,1|1,0,0]=2 67 B6R0.2 C[C@H](N)CC(O)=O AC130275 [0,0,0,0,0,1|1,0,0]=2 68 B3R0.1 CCC[CH2-] AC310111 [2,0,0,0,0,0|1,0,1]=4 69 B3R0.1 OCCF AC500326 [2,0,0,0,0,0|1,0,1]=4 70 B3R0.2 CB(O)O AC500190 [2,0,0,0,0,0|1,0,0]=3 71 B3R0.2 CC(=O)[O-] LN00194400 [2,0,0,0,0,0|0,0,1]=3 72 B3R0.2 CC(N)=S AC510891 [2,0,0,0,0,0|1,1,0]=4 73 B3R0.2 CC([O-])=O AC180064 [2,0,0,0,0,0|0,0,1]=3 74 B3R0.2 CC([O-])=O AC180277 [2,0,0,0,0,0|0,0,1]=3 75 B3R0.2 CC([O-])=O AC511050 [2,0,0,0,0,0|0,0,1]=3 76 B3R0.2 CP(C)=O AC130246 [2,0,0,0,0,0|2,0,0]=4 77 B5R0.1 CC(=O)CC#N AC511126 [1,1,0,0,0,0|1,0,1]=4 78 B5R0.1 CC(C)/C=N/O AC010411 [1,1,0,0,0,0|1,0,0]=3 79 B5R0.1 CC(N)CCO AC511165 [1,1,0,0,0,0|1,0,1]=4 80 B5R0.1 CCCB(O)O AC500236 [1,1,0,0,0,0|1,0,1]=4 81 B5R0.1 CCCC([O-])=O HY-B0350A [1,1,0,0,0,0|0,0,1]=3 82 B5R0.1 CCOC(C)=N AC510695 [1,1,0,0,0,0|2,0,0]=4 83 B5R0.1 CCOC(N)=O HY-B1207 [1,1,0,0,0,0|1,0,0]=3 84 B5R0.1 CCOC([S-])=S AC510653 [1,1,0,0,0,0|0,2,0]=4 85 B5R0.1 CN(C)NC=O AC021455 [1,1,0,0,0,0|2,0,0]=4 86 B5R0.1 CNCC(O)=O AC500168 [1,1,0,0,0,0|0,0,0]=2 87 B5R0.1 COCC(N)=N AC182354 [1,1,0,0,0,0|2,0,0]=4 88 B5R0.1 C[C@@H](O)CCO AC500114 [1,1,0,0,0,0|0,0,1]=3 89 B5R0.1 C[C@H](N)CCO AC512035 [1,1,0,0,0,0|1,0,1]=4 90 B5R0.1 NCCC(N)=O AC510910 [1,1,0,0,0,0|1,0,0]=3 91 B5R0.1 NCCS(O)=O HY-100803 [1,1,0,0,0,0|1,0,0]=3 92 B5R0.1 OC(=O)CC#C AC511130 [1,1,0,0,0,0|0,0,1]=3 93 B5R0.1 OCC[N+]([O-])=O AC510890 [1,1,0,0,0,0|1,0,1]=4 94 B5R0.3 BrC(C=O)C=O AC181018 [1,1,0,0,0,0|1,0,1]=4 95 B5R0.3 C(C(CN)O)N LN00002764 [1,1,0,0,0,0|1,0,1]=4 96 B5R0.3 CCC(=N)NO AC050497 [1,1,0,0,0,0|1,0,0]=3 97 B5R0.3 COC(=O)CO AC190202 [1,1,0,0,0,0|0,0,0]=2 98 B5R0.3 NC(CO)CO AC500076 [1,1,0,0,0,0|1,0,1]=4 99 B5R0.3 NCC(O)CN AC131522 [1,1,0,0,0,0|1,0,1]=4 100 B5R0.3 NCC(O)CO AC180224 [1,1,0,0,0,0|0,0,1]=3 101 B5R0.3 NC[C@@H](O)CO AC181109 [1,1,0,0,0,0|0,0,1]=3 102 B5R0.3 OCC(=C)CO AC511178 [1,1,0,0,0,0|1,0,0]=3 103 B5R0.3 OCC(O)CO HY-B1659 [1,1,0,0,0,0|0,0,1]=3 104 B5R0.3 OC[C@@H](O)CCl AC510842 [1,1,0,0,0,0|0,0,1]=3 105 B5R0.4 CC(C)(F)CO AC130344 [1,1,0,0,0,0|1,0,1]=4 106 B5R0.4 CC(C)(O)CN AC500020 [1,1,0,0,0,0|1,0,1]=4 107 B5R0.4 CC(C)(O)CO AC511880 [1,1,0,0,0,0|0,0,1]=3 108 B5R0.4 CC(F)(F)CO AC220122 [1,1,0,0,0,0|1,0,1]=4 109 B5R0.4 CCS(N)(=O)=O AC181603 [1,1,0,0,0,0|1,0,1]=4 110 B7R0.2 CC[C@H](C)CC(O)=O AC181465 [0,1,0,0,0,1|1,0,0]=3 111 B7R0.9 CC(C)(C)CC(O)=O AC511458 [0,1,0,0,0,1|1,0,0]=3 112 B7R0.9 CC(C)(C)OC(N)=O AC130255 [0,1,0,0,0,1|2,0,0]=4 113 B7R0.9 CC(C)(N)CC(O)=O AC182782 [0,1,0,0,0,1|1,0,0]=3 114 B7R0.9 CC(O)CC(C)(C)O HY-B0903 [0,1,0,0,0,1|1,0,1]=4 115 B7R0.9 CS(=O)(=O)CC(O)=O AC511075 [0,1,0,0,0,1|1,0,1]=4 116 B7R0.9 C[N+](C)(C)CC(O)=O HY-N0739 [0,1,0,0,0,1|2,0,0]=4 117 B7R0.16 CC(C)[C@@H](N)C(N)=O AC180985 [0,1,0,0,0,1|2,0,0]=4 118 B7R0.16 C[C@@H](O)[C@@H](N)C(O)=O AC180082 [0,1,0,0,0,1|0,0,0]=2 119 B7R0.16 C[C@@H](O)[C@@H](N)C(O)=O AC510903 [0,1,0,0,0,1|0,0,0]=2 120 B7R0.16 C[C@H](O)[C@H](N)C(O)=O AC511642 [0,1,0,0,0,1|0,0,0]=2 121 B7R0.5 CCC[C@H](N)C(O)=O AC180580 [0,2,0,0,0,0|1,0,0]=3 122 B7R0.5 CCOC(=N)C(C)C AC200066 [0,2,0,0,0,0|2,0,0]=4 123 B7R0.5 CCOC(=O)C(F)F AC510778 [0,2,0,0,0,0|2,0,0]=4 124 B7R0.5 COC[C@@H](N)C(O)=O AC021210 [0,2,0,0,0,0|1,0,0]=3 125 B7R0.5 COC[C@H](N)C(O)=O AC511991 [0,2,0,0,0,0|1,0,0]=3 126 B7R0.5 NC(CCO)C(O)=O AC511583 [0,2,0,0,0,0|1,0,0]=3 127 B7R0.5 NCCC(N)C(O)=O AC511576 [0,2,0,0,0,0|1,0,0]=3 128 B7R0.5 NCC[C@H](N)C(O)=O HY-101414 [0,2,0,0,0,0|1,0,0]=3 129 B7R0.5 NCC[C@H](O)C(O)=O AC181087 [0,2,0,0,0,0|0,0,0]=2 130 B7R0.5 N[C@@H](CC#C)C(O)=O AC030195 [0,2,0,0,0,0|1,0,0]=3 131 B7R0.5 N[C@@H](CCO)C(O)=O AC180567 [0,2,0,0,0,0|1,0,0]=3 132 B7R0.10 COC(=O)C(=C)CBr AC510213 [0,2,0,0,0,0|1,0,1]=4 133 B7R0.10 COC(=O)[C@@H](N)CO AC180573 [0,2,0,0,0,0|1,0,0]=3 134 B7R0.10 COC(=O)[C@@H](N)CS HY-B1038 [0,2,0,0,0,0|1,0,0]=3 135 B7R0.10 COC(=O)[C@@H](O)CO AC070074 [0,2,0,0,0,0|0,0,0]=2 136 B7R0.10 CON(C)C(=O)CCl AC130067 [0,2,0,0,0,0|2,0,0]=4 137 B7R0.10 CON(C)C(=O)OC AC160921 [0,2,0,0,0,0|1,0,0]=3 138 B7R0.10 O[C@@H](CS)[C@@H](O)CS HY-15917 [0,2,0,0,0,0|0,1,1]=4 139 B7R0.10 O[C@@H](CS)[C@H](O)CS HY-15916 [0,2,0,0,0,0|0,1,1]=4 140 B7R0.13 CC(=O)C(C)(C)C#N LN01353121 [0,2,0,0,0,0|2,0,0]=4 141 B7R0.13 CC(C)(C=C)C(O)=O AC120018 [0,2,0,0,0,0|1,0,0]=3 142 B7R0.13 CC(C)(CF)C(O)=O AC511979 [0,2,0,0,0,0|1,0,0]=3 143 B7R0.13 CC(C)(CN)C(N)=O AC182049 [0,2,0,0,0,0|2,0,0]=4 144 B7R0.13 CC[C@](C)(C(=O)O)N LN01366341 [0,2,0,0,0,0|1,0,0]=3 145 B7R0.13 CC[C@](C)(N)C(O)=O AC511314 [0,2,0,0,0,0|1,0,0]=3 146 B7R0.13 NCC(F)(F)C(O)=O AC050249 [0,2,0,0,0,0|1,0,0]=3 147 B7R0.14 COC(=O)C(C)(C)N AC180889 [0,2,0,0,0,0|1,0,0]=3 148 B7R0.14 COC(=O)C(C)(C)O AC130215 [0,2,0,0,0,0|0,0,0]=2 149 B7R0.15 CCC(CC)C(O)=O AC190325 [0,2,0,0,0,0|1,0,0]=3 150 B5R1.2 BrC1COC1 AC040038 [1,0,0,1,0,0|1,0,1]=4 151 B5R1.2 C1C(CO1)N LN00218236 [1,0,0,1,0,0|1,0,1]=4 152 B5R1.2 IC1COC1 AC510710 [1,0,0,1,0,0|1,0,1]=4 153 B5R1.2 NC1COC1 AC050462 [1,0,0,1,0,0|1,0,1]=4 154 B5R1.2 O=C1CCC1 AC130256 [1,0,0,1,0,0|1,0,0]=3 155 B5R1.2 O=C1COC1 AC130304 [1,0,0,1,0,0|1,0,0]=3 156 B5R1.2 O=C1CSC1 AC010018 [1,0,0,1,0,0|1,1,0]=4 157 B5R1.2 OC1CNC1 AC181502 [1,0,0,1,0,0|1,0,1]=4 158 B5R1.2 OC1COC1 AC510959 [1,0,0,1,0,0|0,0,1]=3 159 B7R1.2 C1[C@H](COC1=O)N LN00239300 [0,0,0,1,0,1|1,0,0]=3 160 B7R1.2 N[C@@H]1CNC(=O)C1 AC190037 [0,0,0,1,0,1|2,0,0]=4 161 B7R1.2 O[C@@H]1CNC(=O)C1 AC180993 [0,0,0,1,0,1|1,0,0]=3 162 B7R1.12 C1C(C1F)C(=O)O LN00218531 [0,0,0,1,0,1|1,0,0]=3 163 B7R1.12 C1[C@@H]([C@@H]1F)C(=O)O LN00204303 [0,0,0,1,0,1|1,0,0]=3 164 B7R1.12 C1[C@H]([C@H]1F)C(=O)O LN00111579 [0,0,0,1,0,1|1,0,0]=3 165 B7R1.12 OC(=O)[C@H]1C[C@@H]1F AC050918 [0,0,0,1,0,1|1,0,0]=3 166 B7R1.4 BrC1CCOC1=O AC130063 [0,1,0,1,0,0|1,0,0]=3 167 B7R1.4 C1[C@@H](C(=NO1)O)N LN01377957 [0,1,0,1,0,0|1,0,1]=4 168 B7R1.4 C[C@H]1COC[C@@H]1O LN00003883 [0,1,0,1,0,0|1,0,1]=4 169 B7R1.4 N[C@@H]1CCOC1=O AC511454 [0,1,0,1,0,0|1,0,0]=3 170 B7R1.4 N[C@@H]1CONC1=O HY-B0030 [0,1,0,1,0,0|1,0,0]=3 171 B7R1.4 N[C@H]1CCOC1=O AC511602 [0,1,0,1,0,0|1,0,0]=3 172 B7R1.4 N[C@H]1CCSC1=O HY-101404A [0,1,0,1,0,0|1,1,0]=4 173 B7R1.4 N[C@H]1CONC1=O HY-B1122 [0,1,0,1,0,0|1,0,0]=3 174 B7R1.4 O[C@H]1CCNC1=O AC182048 [0,1,0,1,0,0|1,0,0]=3 175 B7R1.18 NC(=O)C1CCC1 AC180388 [0,1,0,1,0,0|2,0,0]=4 176 B7R1.18 NC(=O)C1CNC1 AC070069 [0,1,0,1,0,0|2,0,0]=4 177 B7R1.18 OC(=O)C1CCC1 AC131374 [0,1,0,1,0,0|1,0,0]=3 178 B7R1.18 OC(=O)C1CCN1 AC180596 [0,1,0,1,0,0|1,0,0]=3 179 B7R1.18 OC(=O)C1COC1 AC511276 [0,1,0,1,0,0|0,0,0]=2 180 B7R1.19 C1CC1(C(=O)O)F LN00005524 [0,1,0,1,0,0|1,0,0]=3 181 B7R1.19 CC(=O)C1(C)CC1 AC010379 [0,1,0,1,0,0|2,0,0]=4 182 B7R1.19 CC1(CC1)C(O)=O AC010377 [0,1,0,1,0,0|1,0,0]=3 183 B7R1.19 NC1(CC1)C(O)=O AC020571 [0,1,0,1,0,0|1,0,0]=3 184 B7R1.19 OC(=O)C1(F)CC1 AC130346 [0,1,0,1,0,0|1,0,0]=3 185 B7R1.22 COC(=O)[C@H]1CO1 AC070001 [0,1,0,1,0,0|0,0,0]=2 186 B7R1.22 NNC(=O)C1CC1 AC010237 [0,1,0,1,0,0|2,0,0]=4 187 B7R0.6 CC(C)NNC(C)=O AC021553 [0,0,0,0,0,2|2,0,0]=4 188 B7R0.6 CN(C)CCC(O)=O AC511515 [0,0,0,0,0,2|2,0,0]=4