0 B5R0.5 CC(=C)C(=O)Cl BC216466 [0,0,0,0,0,0|2,0,1]=3 1 B5R0.5 CC(=C)C(=O)O BC675577 [0,0,0,0,0,0|1,0,1]=2 2 B5R0.5 CC(=O)C(=O)O BC216002 [0,0,0,0,0,0|0,0,2]=2 3 B5R0.5 CC(=O)C(=O)[O-] BC630684 [0,0,0,0,0,0|0,0,3]=3 4 B5R0.5 CC(=O)N(C)C BC204203 [0,0,0,0,0,0|3,0,0]=3 5 B5R0.5 CC(C(=O)C)Br BC202460 [0,0,0,0,0,0|2,0,0]=2 6 B5R0.5 CC(C(=O)O)Br BC226871 [0,0,0,0,0,0|1,0,0]=1 7 B5R0.5 CC(C)N(=O)=O BC224337 [0,0,0,0,0,0|2,0,1]=3 8 B5R0.5 CN(C(=S)N)N BC213199 [0,0,0,0,0,0|3,1,0]=4 9 B5R0.5 C[C@@H](C(=O)N)N BC678137 [0,0,0,0,0,0|2,0,0]=2 10 B5R0.5 C[C@@H](C(=O)O)N BC677968 [0,0,0,0,0,0|1,0,0]=1 11 B5R0.5 C[C@@H](C(=O)O)O BC207702 [0,0,0,0,0,0|0,0,0]=0 12 B4R0.1 C(=NO)(Br)Br BC665809 [1,0,0,0,0,0|3,0,0]=4 13 B4R0.1 C(=O)C(=O)O BC207995 [1,0,0,0,0,0|0,0,2]=3 14 B4R0.1 C(=O)C(=O)O BC679582 [1,0,0,0,0,0|0,0,2]=3 15 B4R0.1 C(C(=O)N)N BC679380 [1,0,0,0,0,0|2,0,0]=3 16 B4R0.1 C(C(=O)O)Br BC651357 [1,0,0,0,0,0|1,0,0]=2 17 B4R0.1 C(C(=O)O)N BC204500 [1,0,0,0,0,0|1,0,0]=2 18 B4R0.1 C(C(=O)[O-])S BC223764 [1,0,0,0,0,0|0,1,1]=3 19 B4R0.1 CC(=O)CBr BC253377 [1,0,0,0,0,0|2,0,0]=3 20 B4R0.1 CC(=O)CN BC220002 [1,0,0,0,0,0|2,0,0]=3 21 B4R0.1 CC(=O)NN BC211460 [1,0,0,0,0,0|3,0,0]=4 22 B4R0.1 CC(C#C)O BC220409 [1,0,0,0,0,0|1,0,1]=3 23 B4R0.1 CCC(=O)Cl BC658482 [1,0,0,0,0,0|1,0,0]=2 24 B4R0.1 CC[C@@H](C)N BC678458 [1,0,0,0,0,0|2,0,1]=4 25 B4R0.1 CN(C)C=O BC206707 [1,0,0,0,0,0|2,0,0]=3 26 B4R0.1 COC(=O)Cl BC225650 [1,0,0,0,0,0|2,0,0]=3 27 B4R0.1 COC(=O)N BC219589 [1,0,0,0,0,0|2,0,0]=3 28 B4R0.1 C[C@@H](CN)N BC200223 [1,0,0,0,0,0|2,0,1]=4 29 B4R0.1 C[C@@H](CO)N BC678138 [1,0,0,0,0,0|1,0,1]=3 30 B4R0.1 C[C@H](CN)N BC202234 [1,0,0,0,0,0|2,0,1]=4 31 B4R0.1 C[C@H](CN)O BC203537 [1,0,0,0,0,0|1,0,1]=3 32 B6R0.3 C(C(=O)C(=O)O)Br BC213512 [0,1,0,0,0,0|0,0,2]=3 33 B6R0.3 C(C(C(=O)O)N)N BC202898 [0,1,0,0,0,0|1,0,0]=2 34 B6R0.3 C(C(C(=O)O)N)O BC205416 [0,1,0,0,0,0|1,0,0]=2 35 B6R0.3 C([C@@H](C(=O)O)N)O BC676679 [0,1,0,0,0,0|1,0,0]=2 36 B6R0.3 C([C@@H](C(=O)O)N)S BC205188 [0,1,0,0,0,0|1,0,0]=2 37 B6R0.3 C([C@@H](C(=O)O)N)S BC679165 [0,1,0,0,0,0|1,0,0]=2 38 B6R0.3 C([C@@H](C(=O)O)O)N BC210645 [0,1,0,0,0,0|0,0,0]=1 39 B6R0.3 C([C@H](C(=O)O)N)O BC676713 [0,1,0,0,0,0|1,0,0]=2 40 B6R0.3 C([C@H](C(=O)O)N)S BC677524 [0,1,0,0,0,0|1,0,0]=2 41 B6R0.3 C=C[C@@H](C(=O)O)N BC280882 [0,1,0,0,0,0|1,0,1]=3 42 B6R0.3 C=C[C@H](C(=O)O)N BC640608 [0,1,0,0,0,0|1,0,1]=3 43 B6R0.3 CC(=C)C(=O)OC BC222747 [0,1,0,0,0,0|1,0,1]=3 44 B6R0.3 CC(=O)C(=O)CBr BC241276 [0,1,0,0,0,0|1,0,2]=4 45 B6R0.3 CC(=O)N(C)OC BC210650 [0,1,0,0,0,0|2,0,0]=3 46 B6R0.3 CC(C)C(=O)NN BC222284 [0,1,0,0,0,0|2,0,0]=3 47 B6R0.3 CC[C@@H](C(=O)N)N BC209264 [0,1,0,0,0,0|2,0,0]=3 48 B6R0.3 CC[C@@H](C(=O)O)N BC221729 [0,1,0,0,0,0|1,0,0]=2 49 B6R0.3 CC[C@H](C(=O)O)N BC681077 [0,1,0,0,0,0|1,0,0]=2 50 B6R0.3 CN(C)C(=O)CCl BC208319 [0,1,0,0,0,0|3,0,0]=4 51 B6R0.3 COC(=O)C(=C)F BC219448 [0,1,0,0,0,0|1,0,2]=4 52 B6R0.3 C\C=C(/C)\C(=O)O BC206708 [0,1,0,0,0,0|1,0,1]=3 53 B6R0.7 CC(C)(C(=O)Br)Br BC652594 [0,1,0,0,0,0|2,0,0]=3 54 B6R0.7 CC(C)(C(=O)O)Br BC213511 [0,1,0,0,0,0|1,0,0]=2 55 B6R0.7 CC(C)(C(=O)O)N BC206959 [0,1,0,0,0,0|1,0,0]=2 56 B6R0.7 CC(C)(C(=O)O)O BC206613 [0,1,0,0,0,0|0,0,0]=1 57 B6R0.7 CC(C)(C)C(=N)N BC231570 [0,1,0,0,0,0|3,0,0]=4 58 B6R0.7 CC(C)(C)C(=O)O BC207643 [0,1,0,0,0,0|1,0,0]=2 59 B6R0.7 CC(C)(C)[N+](=O)[O-] BC215812 [0,1,0,0,0,0|2,0,1]=4 60 B6R0.7 CC(C)(C)[S@](=O)N BC215015 [0,1,0,0,0,0|3,0,0]=4 61 B6R1.11 B(C1CC1)(O)O BC220728 [0,0,0,1,0,0|2,0,1]=4 62 B6R1.11 C1C(O1)C(=O)O BC224303 [0,0,0,1,0,0|0,0,0]=1 63 B6R1.11 C1CC1C(=N)N BC210033 [0,0,0,1,0,0|3,0,0]=4 64 B6R0.2 CC(=CC(=O)O)C BC200231 [0,0,0,0,0,1|1,0,1]=3 65 B6R0.2 CC(C)CC(=O)O BC677309 [0,0,0,0,0,1|1,0,0]=2 66 B6R0.2 CC(CC(=O)O)N BC233414 [0,0,0,0,0,1|1,0,0]=2 67 B6R0.2 CC(CC(=O)O)N BC675902 [0,0,0,0,0,1|1,0,0]=2 68 B6R0.2 CC(OC(=O)C)Br BC650646 [0,0,0,0,0,1|2,0,0]=3 69 B6R0.2 CN(C)CC(=O)Cl BC252135 [0,0,0,0,0,1|3,0,0]=4 70 B6R0.2 C[C@@H](CC(=O)O)N BC227921 [0,0,0,0,0,1|1,0,0]=2 71 B6R0.2 C[C@H](CC(=O)O)N BC677178 [0,0,0,0,0,1|1,0,0]=2 72 B6R0.2 C\C(=C\C(=O)C)\[O-] BC213287 [0,0,0,0,0,1|1,0,2]=4 73 B6R0.2 C\C(=C\C(=O)C)\[O-] BC213310 [0,0,0,0,0,1|1,0,2]=4 74 B3R0.1 C#CC=O BC221012 [2,0,0,0,0,0|0,0,2]=4 75 B3R0.1 C(CBr)O BC207410 [2,0,0,0,0,0|1,0,1]=4 76 B3R0.1 C(CO)N BC202305 [2,0,0,0,0,0|1,0,1]=4 77 B3R0.1 C=CCO BC201967 [2,0,0,0,0,0|1,0,0]=3 78 B3R0.2 C(=O)([O-])[O-] BC677659 [2,0,0,0,0,0|0,0,2]=4 79 B3R0.2 CC(=N)N BC207082 [2,0,0,0,0,0|2,0,0]=4 80 B3R0.2 CC(=O)O BC253535 [2,0,0,0,0,0|0,0,0]=2 81 B3R0.2 CC(=O)[O-] BC213306 [2,0,0,0,0,0|0,0,1]=3 82 B3R0.2 CC(=O)[O-] BC657511 [2,0,0,0,0,0|0,0,1]=3 83 B3R0.2 CC(=O)[O-] BC666701 [2,0,0,0,0,0|0,0,1]=3 84 B5R0.1 C(CN)C(=O)O BC219368 [1,1,0,0,0,0|0,0,0]=2 85 B5R0.1 C(CS)C(=O)O BC226809 [1,1,0,0,0,0|0,0,0]=2 86 B5R0.1 CC(=O)\C=N/O BC671081 [1,1,0,0,0,0|0,0,2]=4 87 B5R0.1 CC(C)N=C=O BC226288 [1,1,0,0,0,0|1,0,1]=4 88 B5R0.1 CCCC(=[NH2+])N BC202602 [1,1,0,0,0,0|2,0,0]=4 89 B5R0.1 CCOC(=O)Cl BC222115 [1,1,0,0,0,0|1,0,0]=3 90 B5R0.1 CSCC(=N)N BC223707 [1,1,0,0,0,0|2,0,0]=4 91 B5R0.1 C[C@H](CCO)O BC655806 [1,1,0,0,0,0|0,0,1]=3 92 B5R0.1 C\C=C\C(=O)O BC206359 [1,1,0,0,0,0|0,0,1]=3 93 B5R0.3 C(C(=O)CO)O BC200545 [1,1,0,0,0,0|0,0,0]=2 94 B5R0.3 C(C(CCl)O)O BC204241 [1,1,0,0,0,0|0,0,1]=3 95 B5R0.3 C(C(CN)O)N BC203604 [1,1,0,0,0,0|1,0,1]=4 96 B5R0.3 C(C(CO)O)N BC204240 [1,1,0,0,0,0|0,0,1]=3 97 B5R0.3 C(C(CS)O)O BC222900 [1,1,0,0,0,0|0,0,1]=3 98 B5R0.3 C([C@@H](CO)O)N BC206909 [1,1,0,0,0,0|0,0,1]=3 99 B5R0.3 C([C@@H](CO)O)N BC650721 [1,1,0,0,0,0|0,0,1]=3 100 B5R0.3 CCC(CO)N BC203737 [1,1,0,0,0,0|1,0,1]=4 101 B5R0.3 COC(=O)C=C BC222749 [1,1,0,0,0,0|0,0,2]=4 102 B5R0.3 COC(=O)C=O BC202567 [1,1,0,0,0,0|0,0,2]=4 103 B5R0.3 COC(=O)CN BC215108 [1,1,0,0,0,0|1,0,0]=3 104 B5R0.3 COC(=O)OC BC205807 [1,1,0,0,0,0|1,0,0]=3 105 B5R0.4 CC(C)(C#C)O BC224176 [1,1,0,0,0,0|1,0,1]=4 106 B5R0.4 CC(C)(C)C=O BC207937 [1,1,0,0,0,0|1,0,0]=3 107 B5R0.4 CC(C)(CO)N BC220996 [1,1,0,0,0,0|1,0,1]=4 108 B5R0.4 CCS(=O)(=O)N BC243556 [1,1,0,0,0,0|1,0,1]=4 109 B7R0.2 CC[C@@H](C)CC(=O)O BC223684 [0,1,0,0,0,1|1,0,0]=3 110 B7R0.2 CC[C@H](C)CC(=O)O BC676870 [0,1,0,0,0,1|1,0,0]=3 111 B7R0.2 CC[C@H](CC(=O)O)N BC227919 [0,1,0,0,0,1|1,0,0]=3 112 B7R0.2 C[C@@H](CC(=O)OC)O BC228164 [0,1,0,0,0,1|0,0,0]=2 113 B7R0.9 C(C(=O)O)C(F)(F)F BC207572 [0,1,0,0,0,1|2,0,0]=4 114 B7R0.9 CC(=O)OC(C)(C)C BC207665 [0,1,0,0,0,1|2,0,0]=4 115 B7R0.9 CC(C)(C)CC(=O)Cl BC679579 [0,1,0,0,0,1|2,0,0]=4 116 B7R0.9 CC(C)(C)CC(=O)O BC200722 [0,1,0,0,0,1|1,0,0]=3 117 B7R0.9 CC(C)(CC(=O)O)N BC680642 [0,1,0,0,0,1|1,0,0]=3 118 B7R0.9 CC(O)C[C@@](O)(C)C BC206685 [0,1,0,0,0,1|1,0,1]=4 119 B7R0.16 C[C@H]([C@@H](C(=O)O)N)O BC676678 [0,1,0,0,0,1|0,0,0]=2 120 B7R0.16 C[C@H]([C@H](C(=O)O)N)O BC678605 [0,1,0,0,0,1|0,0,0]=2 121 B7R0.5 C(CN)[C@@H](C(=O)O)O BC206932 [0,2,0,0,0,0|0,0,0]=2 122 B7R0.5 C(CO)[C@@H](C(=O)O)N BC675299 [0,2,0,0,0,0|1,0,0]=3 123 B7R0.5 C(CO)[C@H](C(=O)O)N BC219582 [0,2,0,0,0,0|1,0,0]=3 124 B7R0.5 C=CC[C@@H](C(=O)O)N BC213753 [0,2,0,0,0,0|1,0,0]=3 125 B7R0.5 CCOC(=O)C(=O)C BC676704 [0,2,0,0,0,0|0,0,2]=4 126 B7R0.5 CCOC(=O)C(C)F BC221922 [0,2,0,0,0,0|1,0,0]=3 127 B7R0.5 CCOC(=O)[C@H](C)O BC678545 [0,2,0,0,0,0|0,0,0]=2 128 B7R0.5 COCC(C(=O)O)Cl BC686173 [0,2,0,0,0,0|1,0,0]=3 129 B7R0.5 COCC(C(=O)O)N BC686174 [0,2,0,0,0,0|1,0,0]=3 130 B7R0.5 COC[C@@H](C(=O)O)N BC679205 [0,2,0,0,0,0|1,0,0]=3 131 B7R0.5 COC[C@H](C(=O)O)N BC679204 [0,2,0,0,0,0|1,0,0]=3 132 B7R0.10 C(C(C(=O)NN)N)O BC219615 [0,2,0,0,0,0|2,0,0]=4 133 B7R0.10 C([C@H]([C@H](CS)O)O)S BC676855 [0,2,0,0,0,0|0,1,1]=4 134 B7R0.10 CN(C(=O)CCl)OC BC210288 [0,2,0,0,0,0|2,0,0]=4 135 B7R0.10 COC(=O)C(=O)CBr BC208895 [0,2,0,0,0,0|0,0,2]=4 136 B7R0.10 COC(=O)C(=O)OC BC211734 [0,2,0,0,0,0|0,0,2]=4 137 B7R0.10 COC(=O)C(CBr)Br BC676677 [0,2,0,0,0,0|1,0,0]=3 138 B7R0.10 COC(=O)[C@@H](CO)N BC215129 [0,2,0,0,0,0|1,0,0]=3 139 B7R0.13 CC(C)(C(=O)O)ON BC215863 [0,2,0,0,0,0|0,0,0]=2 140 B7R0.13 CC(C)(CN)C(=O)N BC681070 [0,2,0,0,0,0|2,0,0]=4 141 B7R0.13 CC(C)(CN)C(=O)O BC225314 [0,2,0,0,0,0|1,0,0]=3 142 B7R0.13 CC(C)(CO)C(=O)O BC202237 [0,2,0,0,0,0|0,0,0]=2 143 B7R0.13 CCC(C)(C)C(=O)Cl BC222403 [0,2,0,0,0,0|2,0,0]=4 144 B7R0.13 CC[C@@](C)(C(=O)O)N BC679185 [0,2,0,0,0,0|1,0,0]=3 145 B7R0.13 CC[C@](C)(C(=O)O)N BC679184 [0,2,0,0,0,0|1,0,0]=3 146 B7R0.13 C[C@@](CO)(C(=O)O)N BC679182 [0,2,0,0,0,0|0,0,0]=2 147 B7R0.13 C[C@](CO)(C(=O)O)N BC679183 [0,2,0,0,0,0|0,0,0]=2 148 B7R0.14 C(=O)(C(F)(F)Cl)O[Na] BC207289 [0,2,0,0,0,0|2,0,0]=4 149 B7R0.14 CC(C)(C(=O)OC)Br BC202292 [0,2,0,0,0,0|1,0,0]=3 150 B7R0.14 CC(C)(C(=O)OC)F BC645426 [0,2,0,0,0,0|1,0,0]=3 151 B7R0.14 CC(C)(C)C(=O)CN BC208598 [0,2,0,0,0,0|2,0,0]=4 152 B7R0.15 CC(=O)C(OC)OC BC218825 [0,2,0,0,0,0|1,0,0]=3 153 B5R1.2 C1C(=O)CN1 BC653134 [1,0,0,1,0,0|2,0,0]=4 154 B5R1.2 C1C(=O)CO1 BC254016 [1,0,0,1,0,0|1,0,0]=3 155 B5R1.2 C1C(=O)CS1 BC669058 [1,0,0,1,0,0|1,1,0]=4 156 B5R1.2 C1C(CN1)O BC202769 [1,0,0,1,0,0|1,0,1]=4 157 B5R1.2 C1C(CN1)O BC225998 [1,0,0,1,0,0|1,0,1]=4 158 B5R1.2 C1C(CO1)I BC254008 [1,0,0,1,0,0|1,0,1]=4 159 B5R1.2 C1C(CO1)N BC245004 [1,0,0,1,0,0|1,0,1]=4 160 B5R1.2 C1C(CO1)N BC254014 [1,0,0,1,0,0|1,0,1]=4 161 B5R1.2 C1C(CO1)O BC683706 [1,0,0,1,0,0|0,0,1]=3 162 B5R1.2 C1CC(=O)C1 BC209625 [1,0,0,1,0,0|1,0,0]=3 163 B5R1.2 C1CC(C1)O BC202494 [1,0,0,1,0,0|1,0,1]=4 164 B5R1.3 C1C(O1)CCl BC226808 [1,0,0,1,0,0|1,0,1]=4 165 B5R1.3 C1C(O1)CCl BC263420 [1,0,0,1,0,0|1,0,1]=4 166 B5R1.3 C1CC1C=O BC222357 [1,0,0,1,0,0|1,0,0]=3 167 B5R1.3 C1CC1CO BC658437 [1,0,0,1,0,0|1,0,1]=4 168 B5R1.3 C1[C@@H](O1)CCl BC213453 [1,0,0,1,0,0|1,0,1]=4 169 B5R1.3 C1[C@H](O1)CO BC213455 [1,0,0,1,0,0|0,0,1]=3 170 B7R1.2 C1[C@@H](CNC1=O)O BC206869 [0,0,0,1,0,1|1,0,0]=3 171 B7R1.2 C1[C@H](CNC1=O)O BC676893 [0,0,0,1,0,1|1,0,0]=3 172 B7R1.20 C1CC1CC(=O)O BC205620 [0,0,0,1,0,1|1,0,0]=3 173 B7R1.4 C1COC(=O)[C@@H]1N BC679085 [0,1,0,1,0,0|1,0,0]=3 174 B7R1.4 CC1CCNC1=O BC676006 [0,1,0,1,0,0|2,0,0]=4 175 B7R1.18 C1C(CN1)C(=O)O BC202058 [0,1,0,1,0,0|1,0,0]=3 176 B7R1.18 C1C(CN1)C(=O)O BC225187 [0,1,0,1,0,0|1,0,0]=3 177 B7R1.18 C1CN[C@@H]1C(=O)O BC201996 [0,1,0,1,0,0|1,0,0]=3 178 B7R1.18 C1COC1C(=O)O BC653175 [0,1,0,1,0,0|0,0,0]=2 179 B7R1.19 C1CC1(C(=O)O)N BC205080 [0,1,0,1,0,0|1,0,0]=3 180 B7R1.19 C1CC1(C(=O)O)N BC681085 [0,1,0,1,0,0|1,0,0]=3 181 B7R1.19 C1CC1(C(=O)O)O BC202242 [0,1,0,1,0,0|0,0,0]=2 182 B7R1.19 CC(=O)C1(CC1)C BC202064 [0,1,0,1,0,0|2,0,0]=4 183 B7R0.6 CC(=O)CCC(=O)O BC216409 [0,0,0,0,0,2|0,0,2]=4 184 B7R0.6 CC(=O)\C=C\C(=O)O BC214213 [0,0,0,0,0,2|0,0,2]=4 185 B7R0.6 CC(C)COC(=O)Cl BC226048 [0,0,0,0,0,2|2,0,0]=4 186 B7R0.6 C[S+](C)CCC(=O)O BC215874 [0,0,0,0,0,2|2,0,0]=4