0 B6R0.3 C(C(=O)C(=O)O)Br BC213512 [0,0,0,0,0,0|2,1,1]=4 1 B6R0.3 C(C(C(=O)O)N)N BC202898 [0,0,0,0,0,0|3,0,0]=3 2 B6R0.3 C(C(C(=O)O)N)O BC205416 [0,0,0,0,0,0|3,0,0]=3 3 B6R0.3 C([C@@H](C(=O)O)N)O BC676679 [0,0,0,0,0,0|3,0,0]=3 4 B6R0.3 C([C@@H](C(=O)O)N)S BC205188 [0,0,0,0,0,0|3,0,0]=3 5 B6R0.3 C([C@@H](C(=O)O)N)S BC679165 [0,0,0,0,0,0|3,0,0]=3 6 B6R0.3 C([C@@H](C(=O)O)O)N BC210645 [0,0,0,0,0,0|2,1,0]=3 7 B6R0.3 C([C@H](C(=O)O)N)O BC676713 [0,0,0,0,0,0|3,0,0]=3 8 B6R0.3 C([C@H](C(=O)O)N)S BC677524 [0,0,0,0,0,0|3,0,0]=3 9 B6R0.3 C=C[C@@H](C(=O)O)N BC280882 [0,0,0,0,0,0|2,0,2]=4 10 B6R0.3 C=C[C@H](C(=O)O)N BC640608 [0,0,0,0,0,0|2,0,2]=4 11 B6R0.3 CC(=C)C(=O)OC BC222747 [0,0,0,0,0,0|2,1,1]=4 12 B6R0.3 CC(=O)C(=O)CBr BC241276 [0,0,0,0,0,0|1,1,1]=3 13 B6R0.3 CC(=O)N(C)OC BC210650 [0,0,0,0,0,0|3,0,0]=3 14 B6R0.3 CC[C@@H](C(=O)N)N BC209264 [0,0,0,0,0,0|2,0,0]=2 15 B6R0.3 CC[C@@H](C(=O)O)N BC221729 [0,0,0,0,0,0|2,0,0]=2 16 B6R0.3 CC[C@H](C(=O)O)N BC681077 [0,0,0,0,0,0|2,0,0]=2 17 B6R0.3 C\C=C(/C)\C(=O)O BC206708 [0,0,0,0,0,0|2,0,2]=4 18 B5R0.1 C(CN)C(=O)O BC219368 [1,0,0,0,0,0|2,0,0]=3 19 B5R0.1 C(CS)C(=O)O BC226809 [1,0,0,0,0,0|2,0,0]=3 20 B5R0.1 CC(=CCBr)C BC211224 [1,0,0,0,0,0|2,0,1]=4 21 B5R0.1 CC(=O)\C=N/O BC671081 [1,0,0,0,0,0|2,0,1]=4 22 B5R0.1 CCCC(=[NH2+])N BC202602 [1,0,0,0,0,0|2,0,0]=3 23 B5R0.1 CCOC(=O)Cl BC222115 [1,0,0,0,0,0|2,0,0]=3 24 B5R0.1 CN(C)CCCl BC226043 [1,0,0,0,0,0|3,0,0]=4 25 B5R0.1 CSCC(=N)N BC223707 [1,0,0,0,0,0|3,0,0]=4 26 B5R0.1 C[C@H](CCO)O BC655806 [1,0,0,0,0,0|1,0,2]=4 27 B5R0.1 C\C=C\C(=O)O BC206359 [1,0,0,0,0,0|1,0,2]=4 28 B5R0.3 CCC(CO)N BC203737 [1,0,0,0,0,0|1,0,2]=4 29 B5R0.3 COC(=O)C=O BC202567 [1,0,0,0,0,0|1,1,1]=4 30 B5R0.5 CC(=C)C(=O)Cl BC216466 [1,0,0,0,0,0|2,0,1]=4 31 B5R0.5 CC(=C)C(=O)O BC675577 [1,0,0,0,0,0|2,0,1]=4 32 B5R0.5 CC(=O)C(=O)O BC216002 [1,0,0,0,0,0|1,1,1]=4 33 B5R0.5 CC(=O)C(=O)[O-] BC630684 [1,0,0,0,0,0|1,1,1]=4 34 B5R0.5 CC(=O)N(C)C BC204203 [1,0,0,0,0,0|2,0,0]=3 35 B5R0.5 CC(C(=O)C)Br BC202460 [1,0,0,0,0,0|1,0,0]=2 36 B5R0.5 CC(C(=O)O)Br BC226871 [1,0,0,0,0,0|2,0,0]=3 37 B5R0.5 CC(C)N(=O)=O BC224337 [1,0,0,0,0,0|3,0,0]=4 38 B5R0.5 C[C@@H](C(=O)N)N BC678137 [1,0,0,0,0,0|2,0,0]=3 39 B5R0.5 C[C@@H](C(=O)O)N BC677968 [1,0,0,0,0,0|2,0,0]=3 40 B5R0.5 C[C@@H](C(=O)O)O BC207702 [1,0,0,0,0,0|1,1,0]=3 41 B7R0.5 C(CN)[C@@H](C(=O)O)O BC206932 [0,1,0,0,0,0|1,1,0]=3 42 B7R0.5 C(CO)[C@@H](C(=O)O)N BC675299 [0,1,0,0,0,0|2,0,0]=3 43 B7R0.5 C(CO)[C@H](C(=O)O)N BC219582 [0,1,0,0,0,0|2,0,0]=3 44 B7R0.5 C=CC[C@@H](C(=O)O)N BC213753 [0,1,0,0,0,0|2,0,1]=4 45 B7R0.5 CCOC(=O)C(=O)C BC676704 [0,1,0,0,0,0|0,1,1]=3 46 B7R0.5 COCC(C(=O)O)Cl BC686173 [0,1,0,0,0,0|2,0,0]=3 47 B7R0.5 COCC(C(=O)O)N BC686174 [0,1,0,0,0,0|2,0,0]=3 48 B7R0.5 COC[C@@H](C(=O)O)N BC679205 [0,1,0,0,0,0|2,0,0]=3 49 B7R0.5 COC[C@H](C(=O)O)N BC679204 [0,1,0,0,0,0|2,0,0]=3 50 B7R0.10 C(C(C(=O)NN)N)O BC219615 [0,1,0,0,0,0|3,0,0]=4 51 B7R0.10 CN(C(=O)CCl)OC BC210288 [0,1,0,0,0,0|3,0,0]=4 52 B7R0.10 COC(=O)C(=O)CBr BC208895 [0,1,0,0,0,0|1,1,1]=4 53 B7R0.10 COC(=O)C(=O)OC BC211734 [0,1,0,0,0,0|1,1,1]=4 54 B7R0.10 COC(=O)C(CBr)Br BC676677 [0,1,0,0,0,0|2,0,0]=3 55 B7R0.10 COC(=O)[C@@H](CO)N BC215129 [0,1,0,0,0,0|2,0,0]=3 56 B7R0.13 CC(C)(CN)C(=O)N BC681070 [0,1,0,0,0,0|3,0,0]=4 57 B7R0.13 CC(C)(CN)C(=O)O BC225314 [0,1,0,0,0,0|3,0,0]=4 58 B7R0.13 CC(C)(CO)C(=O)O BC202237 [0,1,0,0,0,0|3,0,0]=4 59 B7R0.13 CCC(C)(C)C(=O)Cl BC222403 [0,1,0,0,0,0|2,0,0]=3 60 B7R0.13 CC[C@@](C)(C(=O)O)N BC679185 [0,1,0,0,0,0|2,0,0]=3 61 B7R0.13 CC[C@](C)(C(=O)O)N BC679184 [0,1,0,0,0,0|2,0,0]=3 62 B7R0.13 C[C@@](CO)(C(=O)O)N BC679182 [0,1,0,0,0,0|3,0,0]=4 63 B7R0.13 C[C@](CO)(C(=O)O)N BC679183 [0,1,0,0,0,0|3,0,0]=4 64 B7R0.15 CC(=O)C(OC)OC BC218825 [0,1,0,0,0,0|1,1,0]=3 65 B7R0.16 C[C@H]([C@@H](C(=O)O)N)O BC676678 [0,1,0,0,0,0|2,0,0]=3 66 B7R0.16 C[C@H]([C@H](C(=O)O)N)O BC678605 [0,1,0,0,0,0|2,0,0]=3 67 B7R1.4 C1CC(=C(C1)Br)Br BC213699 [0,0,0,1,0,0|2,0,1]=4 68 B7R1.4 C1COC(=O)[C@@H]1N BC679085 [0,0,0,1,0,0|2,0,0]=3 69 B7R1.4 C1C[C@H]([C@@H](C1)O)N BC210746 [0,0,0,1,0,0|1,0,2]=4 70 B7R1.4 CC1CCNC1=O BC676006 [0,0,0,1,0,0|2,0,0]=3 71 B7R1.4 CN1CCCC1=O BC675578 [0,0,0,1,0,0|2,0,0]=3 72 B7R1.4 CN1CCNC1=O BC207797 [0,0,0,1,0,0|3,0,0]=4 73 B7R1.18 C1C(CN1)C(=O)O BC202058 [0,0,0,1,0,0|3,0,0]=4 74 B7R1.18 C1C(CN1)C(=O)O BC225187 [0,0,0,1,0,0|3,0,0]=4 75 B7R1.18 C1CN[C@@H]1C(=O)O BC201996 [0,0,0,1,0,0|2,0,0]=3 76 B7R1.18 C1COC1C(=O)O BC653175 [0,0,0,1,0,0|1,1,0]=3 77 B7R1.19 C1CC1(C(=O)O)N BC205080 [0,0,0,1,0,0|2,0,0]=3 78 B7R1.19 C1CC1(C(=O)O)N BC681085 [0,0,0,1,0,0|2,0,0]=3 79 B7R1.19 C1CC1(C(=O)O)O BC202242 [0,0,0,1,0,0|1,1,0]=3 80 B7R1.19 CC(=O)C1(CC1)C BC202064 [0,0,0,1,0,0|1,0,0]=2 81 B7R0.2 CCC(C)CC(C)C BC677965 [0,0,0,0,0,1|2,0,1]=4 82 B7R0.2 CC[C@@H](C)CC(=O)O BC223684 [0,0,0,0,0,1|2,0,0]=3 83 B7R0.2 CC[C@H](C)CC(=O)O BC676870 [0,0,0,0,0,1|2,0,0]=3 84 B7R0.2 CC[C@H](CC(=O)O)N BC227919 [0,0,0,0,0,1|2,0,0]=3 85 B4R0.1 C(C(=O)N)N BC679380 [2,0,0,0,0,0|2,0,0]=4 86 B4R0.1 C(C(=O)O)Br BC651357 [2,0,0,0,0,0|2,0,0]=4 87 B4R0.1 C(C(=O)O)N BC204500 [2,0,0,0,0,0|2,0,0]=4 88 B4R0.1 C(C(=O)[O-])S BC223764 [2,0,0,0,0,0|1,0,0]=3 89 B4R0.1 CC(=O)CBr BC253377 [2,0,0,0,0,0|1,0,0]=3 90 B4R0.1 CC(=O)CN BC220002 [2,0,0,0,0,0|1,0,0]=3 91 B4R0.1 CC(=O)NN BC211460 [2,0,0,0,0,0|2,0,0]=4 92 B4R0.1 CCC(=O)Cl BC658482 [2,0,0,0,0,0|1,0,0]=3 93 B4R0.1 CC[C@@H](C)N BC678458 [2,0,0,0,0,0|1,0,0]=3 94 B4R0.1 CN(C)C=O BC206707 [2,0,0,0,0,0|2,0,0]=4 95 B4R0.1 COC(=O)Cl BC225650 [2,0,0,0,0,0|2,0,0]=4 96 B4R0.1 COC(=O)N BC219589 [2,0,0,0,0,0|2,0,0]=4 97 B4R0.1 C[C@@H](CN)N BC200223 [2,0,0,0,0,0|2,0,0]=4 98 B4R0.1 C[C@@H](CO)N BC678138 [2,0,0,0,0,0|2,0,0]=4 99 B4R0.1 C[C@H](CN)N BC202234 [2,0,0,0,0,0|2,0,0]=4 100 B4R0.1 C[C@H](CN)O BC203537 [2,0,0,0,0,0|1,1,0]=4 101 B4R0.2 CCCC#N BC207705 [2,0,0,0,0,0|1,0,1]=4 102 B4R0.2 CCOC=C BC208832 [2,0,0,0,0,0|1,0,1]=4 103 B4R0.2 CC[NH2+]CC BC620750 [2,0,0,0,0,0|1,0,1]=4 104 B4R0.2 CSCC=O BC296573 [2,0,0,0,0,0|1,0,0]=3 105 B4R0.2 C\C=C\CN BC220709 [2,0,0,0,0,0|1,0,1]=4 106 B6R0.1 C(C(=O)NCO)Cl BC214951 [1,1,0,0,0,0|2,0,0]=4 107 B6R0.1 CCOC(=O)C#C BC219557 [1,1,0,0,0,0|1,0,1]=4 108 B6R0.1 CCOC(=O)C=O BC222485 [1,1,0,0,0,0|1,0,1]=4 109 B6R0.1 CCOC(=O)CBr BC206664 [1,1,0,0,0,0|1,0,0]=3 110 B6R0.1 CCOC(=O)CN BC676695 [1,1,0,0,0,0|1,0,0]=3 111 B6R0.1 CCOC(=O)NO BC202244 [1,1,0,0,0,0|2,0,0]=4 112 B6R0.1 COC(=O)CCS BC219495 [1,1,0,0,0,0|1,0,0]=3 113 B6R0.2 CC(C)CC(=O)O BC677309 [1,1,0,0,0,0|1,0,0]=3 114 B6R0.2 CC(CC(=O)O)N BC233414 [1,1,0,0,0,0|1,0,0]=3 115 B6R0.2 CC(CC(=O)O)N BC675902 [1,1,0,0,0,0|1,0,0]=3 116 B6R0.2 CC(CN(C)C)Cl BC214983 [1,1,0,0,0,0|2,0,0]=4 117 B6R0.2 CC(CN(C)C)N BC600236 [1,1,0,0,0,0|2,0,0]=4 118 B6R0.2 CC(CN(C)C)N BC640377 [1,1,0,0,0,0|2,0,0]=4 119 B6R0.2 CC(OC(=O)C)Br BC650646 [1,1,0,0,0,0|1,0,0]=3 120 B6R0.2 CN(C)CC(=O)Cl BC252135 [1,1,0,0,0,0|2,0,0]=4 121 B6R0.2 C[C@@H](CC(=O)O)N BC227921 [1,1,0,0,0,0|1,0,0]=3 122 B6R0.2 C[C@H](CC(=O)O)N BC677178 [1,1,0,0,0,0|1,0,0]=3 123 B6R0.2 C\C(=C\C(=O)C)\[O-] BC213287 [1,1,0,0,0,0|0,0,2]=4 124 B6R0.2 C\C(=C\C(=O)C)\[O-] BC213310 [1,1,0,0,0,0|0,0,2]=4 125 B6R0.4 C(CC(=O)O)C#N BC670380 [1,1,0,0,0,0|1,0,1]=4 126 B6R0.4 C(CC(=O)O)CBr BC219750 [1,1,0,0,0,0|1,0,0]=3 127 B6R0.4 C(CC(=O)O)CN BC204189 [1,1,0,0,0,0|1,0,0]=3 128 B6R0.4 C=CCCC(=O)O BC678220 [1,1,0,0,0,0|1,0,1]=4 129 B6R0.4 CC(=O)OCC=C BC219433 [1,1,0,0,0,0|0,0,2]=4 130 B6R0.4 CC(=O)OCCBr BC677702 [1,1,0,0,0,0|1,0,0]=3 131 B6R0.4 CC(C)CCCBr BC219799 [1,1,0,0,0,0|1,0,1]=4 132 B6R0.4 CN(C)CCCBr BC201788 [1,1,0,0,0,0|2,0,0]=4 133 B6R0.4 CN(C)CCCBr BC600124 [1,1,0,0,0,0|2,0,0]=4 134 B6R0.4 CN(C)CCCCl BC225643 [1,1,0,0,0,0|2,0,0]=4 135 B6R0.4 CN(C)CCCCl BC675427 [1,1,0,0,0,0|2,0,0]=4 136 B6R0.4 CN(C)CCCN BC206138 [1,1,0,0,0,0|2,0,0]=4 137 B6R0.4 CN(C)CCCO BC210758 [1,1,0,0,0,0|2,0,0]=4 138 B6R0.5 CS(=O)(=O)CCN BC685474 [1,1,0,0,0,0|2,0,0]=4 139 B6R0.8 CC(C)(CO)C=O BC224281 [1,1,0,0,0,0|2,0,0]=4 140 B6R0.7 CC(C)(C(=O)Br)Br BC652594 [1,1,0,0,0,0|2,0,0]=4 141 B6R0.7 CC(C)(C(=O)O)Br BC213511 [1,1,0,0,0,0|2,0,0]=4 142 B6R0.7 CC(C)(C(=O)O)N BC206959 [1,1,0,0,0,0|2,0,0]=4 143 B6R0.7 CC(C)(C(=O)O)O BC206613 [1,1,0,0,0,0|1,1,0]=4 144 B6R0.7 CC(C)(C)C(=O)O BC207643 [1,1,0,0,0,0|2,0,0]=4 145 B8R0.5 CCOC(=O)CC(=O)C BC202411 [0,1,0,0,0,1|0,1,1]=4 146 B8R0.19 CCC(=O)CC(=O)OC BC651002 [0,1,0,0,0,1|0,1,1]=4 147 B8R0.19 COC(=O)C[C@@H](CBr)O BC201655 [0,1,0,0,0,1|1,1,0]=4 148 B8R0.3 CCOC(=O)C(=O)CBr BC219415 [0,2,0,0,0,0|0,1,1]=4 149 B8R0.3 CCOC(=O)C(CO)N BC689092 [0,2,0,0,0,0|2,0,0]=4 150 B8R0.3 COC(=O)C(CCBr)Br BC243321 [0,2,0,0,0,0|1,0,0]=3 151 B8R0.3 COC(=O)[C@@H](CCCl)N BC222662 [0,2,0,0,0,0|1,0,0]=3 152 B8R0.3 COCC(C(=O)OC)N BC654794 [0,2,0,0,0,0|1,0,0]=3 153 B8R0.8 C(C[C@@H](C(=O)O)N)CN BC205409 [0,2,0,0,0,0|2,0,0]=4 154 B8R0.8 C(C[C@@H](C(=O)O)N)CN BC206763 [0,2,0,0,0,0|2,0,0]=4 155 B8R0.8 C(C[C@@H](C(=O)O)N)CN BC206765 [0,2,0,0,0,0|2,0,0]=4 156 B8R0.8 CSCCC(C(=O)O)N BC201484 [0,2,0,0,0,0|2,0,0]=4 157 B8R0.8 CSCCC(C(=O)[O-])O BC650591 [0,2,0,0,0,0|1,1,0]=4 158 B8R0.8 CSCC[C@@H](C(=O)N)N BC215117 [0,2,0,0,0,0|2,0,0]=4 159 B8R0.37 CC(C)C(C)(C(=O)N)N BC202254 [0,2,0,0,0,0|2,0,0]=4 160 B8R0.27 CC(C)(C)[C@@H](C(=O)O)N BC226285 [0,2,0,0,0,0|2,0,0]=4 161 B8R0.27 CC(C)(C)[C@H](C(=O)O)N BC675596 [0,2,0,0,0,0|2,0,0]=4 162 B8R0.27 CC(C)([C@@H](C(=O)O)N)O BC227829 [0,2,0,0,0,0|2,0,0]=4 163 B8R0.27 CC(C)([C@H](C(=O)O)N)O BC213767 [0,2,0,0,0,0|2,0,0]=4 164 B6R1.2 C1CC(=O)C=C1 BC652225 [1,0,0,1,0,0|0,0,2]=4 165 B6R1.2 C1CC(=O)NC1 BC225697 [1,0,0,1,0,0|1,0,0]=3 166 B6R1.2 C1CCC(C1)Cl BC221902 [1,0,0,1,0,0|1,0,1]=4 167 B6R1.2 C1CNC(=O)N1 BC202712 [1,0,0,1,0,0|2,0,0]=4 168 B6R1.2 C1CNCC1=O BC208274 [1,0,0,1,0,0|1,0,0]=3 169 B6R1.2 C1COCC1=O BC244549 [1,0,0,1,0,0|1,0,0]=3 170 B6R1.2 CC1CCCN1 BC208988 [1,0,0,1,0,0|1,0,1]=4 171 B6R1.2 CC1CCCO1 BC205640 [1,0,0,1,0,0|0,0,2]=4 172 B6R1.2 C[C@@H]1CCCN1 BC677871 [1,0,0,1,0,0|1,0,1]=4 173 B6R1.2 C[C@H]1CCCN1 BC208991 [1,0,0,1,0,0|1,0,1]=4 174 B6R1.11 C1C(O1)C(=O)O BC224303 [1,0,0,1,0,0|2,0,0]=4 175 B6R1.11 C1CC1C(=N)N BC210033 [1,0,0,1,0,0|2,0,0]=4 176 B8R1.1 C1CC(=O)N[C@H]1CO BC676884 [0,0,0,1,0,1|2,0,0]=4 177 B8R1.4 C1CNC(=O)CC1N BC678826 [0,0,0,1,0,1|2,0,0]=4 178 B8R1.4 C1CNC(=O)CC1O BC678827 [0,0,0,1,0,1|1,1,0]=4 179 B8R1.5 C1CCC(=O)C(=O)C1 BC680226 [0,1,0,1,0,0|0,1,1]=4 180 B8R1.5 C1CCC(=O)C(C1)Br BC221238 [0,1,0,1,0,0|1,0,0]=3 181 B8R1.5 C1CCN(C(=O)C1)N BC682035 [0,1,0,1,0,0|2,0,0]=4 182 B8R1.5 C1CN(C(=O)OC1)N BC636881 [0,1,0,1,0,0|2,0,0]=4 183 B8R1.5 C1COCC(C1=O)O BC600171 [0,1,0,1,0,0|0,1,0]=3 184 B8R1.5 CC1CNCCC1=O BC219286 [0,1,0,1,0,0|1,0,0]=3 185 B8R1.7 C1CC(OC1)C(=O)O BC226570 [0,1,0,1,0,0|1,1,0]=4 186 B8R1.7 C1CNCC1C(=O)O BC202146 [0,1,0,1,0,0|2,0,0]=4 187 B8R1.7 C1CNC[C@@H]1C(=O)O BC677876 [0,1,0,1,0,0|2,0,0]=4 188 B8R1.7 C1CNC[C@H]1C(=O)O BC202147 [0,1,0,1,0,0|2,0,0]=4 189 B8R1.7 C1COC[C@H]1C(=O)O BC677393 [0,1,0,1,0,0|1,1,0]=4 190 B8R1.7 C1C[C@@H](OC1)C(=O)O BC209033 [0,1,0,1,0,0|1,1,0]=4 191 B8R1.7 C1C[C@H](NC1)C(=O)O BC689080 [0,1,0,1,0,0|2,0,0]=4 192 B8R1.7 C1[C@H](NCS1)C(=O)O BC215224 [0,1,0,1,0,0|2,0,0]=4 193 B8R1.7 CC(=O)C1CCCC1 BC225383 [0,1,0,1,0,0|1,0,0]=3 194 B8R1.23 C1[C@@H](C[C@H]1C(=O)O)N BC233488 [0,1,0,1,0,0|2,0,0]=4 195 B8R1.23 C1[C@@H](C[C@H]1C(=O)O)N BC670712 [0,1,0,1,0,0|2,0,0]=4 196 B8R1.54 C1CC1[C@@H](C(=O)O)N BC225197 [0,1,0,1,0,0|2,0,0]=4 197 B8R1.54 C1CC1[C@H](C(=O)O)N BC225198 [0,1,0,1,0,0|2,0,0]=4 198 B8R1.78 CC1(COC1)C(=O)O BC653164 [0,1,0,1,0,0|2,0,0]=4 199 B8R1.11 C1CC(C(=O)C1)C#N BC675967 [0,1,0,1,0,0|1,0,0]=3 200 B8R1.11 CCN1CCCC1=O BC215697 [0,1,0,1,0,0|2,0,0]=4 201 B8R1.38 COC(=O)C1CNC1 BC678556 [0,1,0,1,0,0|2,0,0]=4 202 B8R1.39 CC1(CC1)C(=O)NN BC211412 [0,1,0,1,0,0|2,0,0]=4 203 B8R1.39 COC(=O)C1(CC1)N BC680009 [0,1,0,1,0,0|1,0,0]=3 204 B8R1.77 CC1(C[C@@H]1C(=O)N)C BC205635 [0,1,0,1,0,0|2,0,0]=4