0 B6R0.2 CC(=O)C=C(C)N OR1506 [0,0,0,0,0,0|3,0,1]=4 1 B6R0.2 CC(=O)CC(C)=O OR16430 [0,0,0,0,0,0|3,0,0]=3 2 B6R0.2 CC(=O)CC(C)C OR61047 [0,0,0,0,0,0|2,0,0]=2 3 B6R0.2 CC(=O)NC(=N)N OR24582 [0,0,0,0,0,0|4,0,0]=4 4 B6R0.2 CC(=O)NC(N)=S OR18382 [0,0,0,0,0,0|3,1,0]=4 5 B6R0.2 CC(=O)\C=C(\C)[O-] OR15745 [0,0,0,0,0,0|3,0,1]=4 6 B6R0.2 CC(C)=CC(=O)Cl OR29360 [0,0,0,0,0,0|2,0,1]=3 7 B6R0.2 CC(C)=CC(=O)O OR46069 [0,0,0,0,0,0|2,0,1]=3 8 B6R0.2 CC(C)=C[N+](=O)[O-] OR310840 [0,0,0,0,0,0|3,0,1]=4 9 B6R0.2 CC(C)CB(O)O OR14160 [0,0,0,0,0,0|3,0,1]=4 10 B6R0.2 CC(C)CC(=O)O OR2260 [0,0,0,0,0,0|2,0,0]=2 11 B6R0.2 CC(C)CC(N)=O OR22499 [0,0,0,0,0,0|1,0,0]=1 12 B6R0.2 CC(Cl)OC(=O)Cl OR16433 [0,0,0,0,0,0|4,0,0]=4 13 B6R0.2 CN(C)CC(=O)O OR45130 [0,0,0,0,0,0|1,0,0]=1 14 B6R0.2 NC(=O)CC(N)=O OR5304 [0,0,0,0,0,0|3,0,0]=3 15 B6R0.2 NC(=O)C[N+](=O)[O-] OR13268 [0,0,0,0,0,0|2,0,1]=3 16 B6R0.2 O=C(Cl)CC(=O)Cl OR46548 [0,0,0,0,0,0|4,0,0]=4 17 B6R0.2 O=C(O)CC(=O)O OR0786 [0,0,0,0,0,0|4,0,0]=4 18 B5R0.1 C=CC[C@H](C)O OR304051 [1,0,0,0,0,0|3,0,0]=4 19 B5R0.1 CC#CC(=O)O OR315221 [1,0,0,0,0,0|2,0,1]=4 20 B5R0.1 CC(C)CC#N OR52674 [1,0,0,0,0,0|1,0,2]=4 21 B5R0.1 CC(C)CCI OR8220 [1,0,0,0,0,0|2,0,1]=4 22 B5R0.1 CC(C)CCN OR12816 [1,0,0,0,0,0|1,0,1]=3 23 B5R0.1 CC(C)CCO OR460021 [1,0,0,0,0,0|1,0,2]=4 24 B5R0.1 CC(C)CNN OR0203 [1,0,0,0,0,0|2,0,0]=3 25 B5R0.1 CC(C)C[Mg]Br OR52618 [1,0,0,0,0,0|3,0,0]=4 26 B5R0.1 CCCC(=O)O OR6005 [1,0,0,0,0,0|2,0,0]=3 27 B5R0.1 CCCC(=O)[O-] OR8783 [1,0,0,0,0,0|2,0,0]=3 28 B5R0.1 CCCC(C)N OR10075 [1,0,0,0,0,0|2,0,1]=4 29 B5R0.1 CCNC(N)=O OR42229 [1,0,0,0,0,0|2,0,0]=3 30 B5R0.1 CN(C)CCN OR6514 [1,0,0,0,0,0|0,0,1]=2 31 B5R0.1 COCC(=O)Cl OR40393 [1,0,0,0,0,0|2,0,0]=3 32 B5R0.1 CSCC(=O)O OR4573 [1,0,0,0,0,0|2,0,0]=3 33 B5R0.1 N#CCC(N)=S OR29773 [1,0,0,0,0,0|2,1,0]=4 34 B5R0.1 NC(=O)CCBr OR322315 [1,0,0,0,0,0|2,0,0]=3 35 B5R0.1 NC(=O)CCCl OR26786 [1,0,0,0,0,0|2,0,0]=3 36 B5R0.1 NCCC(=O)O OR5225 [1,0,0,0,0,0|3,0,0]=4 37 B5R0.1 O=C(Cl)CCCl OR11057 [1,0,0,0,0,0|3,0,0]=4 38 B5R0.1 O=C(O)CCBr OR8993 [1,0,0,0,0,0|3,0,0]=4 39 B5R0.1 O=C(O)CCO OR59874 [1,0,0,0,0,0|3,0,0]=4 40 B5R0.1 O=C(O)CCO OR70031 [1,0,0,0,0,0|3,0,0]=4 41 B7R0.2 CC(=O)NC(C)CN OR321289 [0,1,0,0,0,0|3,0,0]=4 42 B7R0.2 CC(C)C[C@H](N)CO OR8973 [0,1,0,0,0,0|1,0,2]=4 43 B7R0.2 CC(C)NC(=O)CCl OR25475 [0,1,0,0,0,0|3,0,0]=4 44 B7R0.2 CC(C)NC(=O)CN OR8216 [0,1,0,0,0,0|2,0,0]=3 45 B7R0.2 CC(C)OC(=O)CBr OR55079 [0,1,0,0,0,0|3,0,0]=4 46 B7R0.2 CC(C=O)=CN(C)C OR24502 [0,1,0,0,0,0|1,0,1]=3 47 B7R0.2 CCC(C)CC(=O)O OR5351 [0,1,0,0,0,0|2,0,0]=3 48 B7R0.2 CCC(C)CC(C)N OR2894 [0,1,0,0,0,0|2,0,1]=4 49 B7R0.2 CCC(N)CC(=O)O OR16680 [0,1,0,0,0,0|3,0,0]=4 50 B7R0.2 CC[C@@H](N)CC(=O)O OR40585 [0,1,0,0,0,0|3,0,0]=4 51 B7R0.2 CN(C)CC(O)CCl OR11726 [0,1,0,0,0,0|1,0,2]=4 52 B7R0.2 CNC(=O)CC(C)=O OR54480 [0,1,0,0,0,0|2,0,0]=3 53 B7R0.2 COC(=O)C=C(C)C OR7136 [0,1,0,0,0,0|2,0,1]=4 54 B7R0.2 COC(=O)CC(=N)N OR471204 [0,1,0,0,0,0|3,0,0]=4 55 B7R0.2 COC(=O)CC(=O)Cl OR8845 [0,1,0,0,0,0|3,0,0]=4 56 B7R0.2 COC(=O)CC(=O)O OR54514 [0,1,0,0,0,0|3,0,0]=4 57 B7R0.2 COC(=O)CC(=O)[O-] OR25586 [0,1,0,0,0,0|3,0,0]=4 58 B7R0.2 COC(=O)CC(C)=O OR54474 [0,1,0,0,0,0|3,0,0]=4 59 B7R0.2 COC(=O)C[C@@H](C)N OR913686 [0,1,0,0,0,0|3,0,0]=4 60 B7R0.2 COC(=O)C[C@@H](C)O OR28835 [0,1,0,0,0,0|3,0,0]=4 61 B7R0.2 NCC(O)CC(=O)O OR1057 [0,1,0,0,0,0|3,0,0]=4 62 B7R0.2 NNC(=O)C[N+](=O)[O-] OR13558 [0,1,0,0,0,0|2,0,1]=4 63 B7R0.9 CC(=O)CC(C)(C)C OR0844 [0,1,0,0,0,0|2,0,0]=3 64 B7R0.9 CC(C)(C)CC(=O)O OR0494 [0,1,0,0,0,0|2,0,0]=3 65 B7R0.9 CC(C)(C)NC(N)=S OR30207 [0,1,0,0,0,0|2,1,0]=4 66 B7R0.9 CC(C)(C)OC(N)=O OR55005 [0,1,0,0,0,0|2,0,0]=3 67 B7R0.9 CC(C)(N)CC(=O)O OR01641 [0,1,0,0,0,0|2,0,0]=3 68 B7R0.9 CS(=O)(=O)CC(=O)O OR45106 [0,1,0,0,0,0|3,0,0]=4 69 B7R0.16 CC(=O)C(Cl)C(C)=O OR47825 [0,1,0,0,0,0|3,0,0]=4 70 B7R0.16 CC(=O)C(Cl)C(N)=O OR51821 [0,1,0,0,0,0|2,0,0]=3 71 B7R0.16 CC(C)[C@@H](N)C(=O)O OR5884 [0,1,0,0,0,0|2,0,0]=3 72 B7R0.16 CC(C)[C@@H](O)C(=O)O OR6367 [0,1,0,0,0,0|2,0,0]=3 73 B7R0.16 CC(C)[C@H](O)C(=O)O OR17815 [0,1,0,0,0,0|2,0,0]=3 74 B7R0.16 CN(C)C(=O)C(=O)O OR0185 [0,1,0,0,0,0|1,0,1]=3 75 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O OR316027 [0,1,0,0,0,0|3,0,0]=4 76 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O OR2477 [0,1,0,0,0,0|3,0,0]=4 77 B7R0.16 NC(=O)C(N)C(N)=O OR61428 [0,1,0,0,0,0|3,0,0]=4 78 B7R1.2 CC1=CC(=O)CC1 OR17891 [0,0,0,1,0,0|2,0,1]=4 79 B7R1.2 CC1=CC(=O)NO1 OR2998 [0,0,0,1,0,0|2,0,1]=4 80 B7R1.2 CN1C=C(N)C=N1 OR110642 [0,0,0,1,0,0|2,0,1]=4 81 B7R1.2 CN1C=C(N)C=N1 OR43645 [0,0,0,1,0,0|2,0,1]=4 82 B7R1.2 CN1C=CC(N)=N1 OR24245 [0,0,0,1,0,0|2,0,1]=4 83 B7R1.2 CN1CCC(O)C1 OR5467 [0,0,0,1,0,0|1,0,2]=4 84 B7R1.2 CN1CC[C@@H](N)C1 OR308141 [0,0,0,1,0,0|1,0,1]=3 85 B7R1.2 CN1CC[C@@H](O)C1 OR4626 [0,0,0,1,0,0|1,0,2]=4 86 B7R1.2 CN1CC[C@H](N)C1 OR308140 [0,0,0,1,0,0|1,0,1]=3 87 B7R1.2 C[C@@H]1COC(=O)O1 OR13704 [0,0,0,1,0,0|3,0,0]=4 88 B7R1.2 O=C1CCC(=O)C1 OR24952 [0,0,0,1,0,0|3,0,0]=4 89 B7R1.2 O=C1COC(=O)C1 OR15973 [0,0,0,1,0,0|3,0,0]=4 90 B7R1.2 O=C1COC(=O)C1 OR28721 [0,0,0,1,0,0|3,0,0]=4 91 B7R1.2 O=C1C[C@@H](O)CO1 OR4605 [0,0,0,1,0,0|3,0,0]=4 92 B7R1.2 O=C1C[C@H](O)CN1 OR60184 [0,0,0,1,0,0|2,0,0]=3 93 B7R1.12 C[C@@H]1C[C@H]1C(=O)O OR303309 [0,0,0,1,0,0|2,0,0]=3 94 B7R1.12 C[C@H]1C[C@@H]1C(=O)O OR41152 [0,0,0,1,0,0|2,0,0]=3 95 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I OR302295 [0,0,0,1,0,0|3,0,0]=4 96 B7R1.20 NC(=O)NC1CC1 OR21332 [0,0,0,1,0,0|2,0,0]=3 97 B7R1.20 O=C(O)CC1CC1 OR59893 [0,0,0,1,0,0|2,0,0]=3 98 B5R0.5 C=C(C)C(=O)O OR54367 [0,0,0,0,1,0|2,0,1]=4 99 B5R0.5 C=C(C)C(C)C OR46606 [0,0,0,0,1,0|3,0,0]=4 100 B5R0.5 CC(=O)C(=O)O OR315034 [0,0,0,0,1,0|3,0,0]=4 101 B5R0.5 CC(=O)C(C)=O OR5248 [0,0,0,0,1,0|3,0,0]=4 102 B5R0.5 CC(=O)C(C)Br OR1466 [0,0,0,0,1,0|3,0,0]=4 103 B5R0.5 CC(=O)C(C)C OR5350 [0,0,0,0,1,0|2,0,0]=3 104 B5R0.5 CC(Br)C(=O)Cl OR40726 [0,0,0,0,1,0|3,0,0]=4 105 B5R0.5 CC(Br)C(N)=O OR24705 [0,0,0,0,1,0|2,0,0]=3 106 B5R0.5 CC(C)=C(C)C OR18350 [0,0,0,0,1,0|3,0,0]=4 107 B5R0.5 CC(C)C(=N)N OR27276 [0,0,0,0,1,0|2,0,0]=3 108 B5R0.5 CC(C)C(=O)Cl OR10005 [0,0,0,0,1,0|2,0,0]=3 109 B5R0.5 CN(C)C(=O)Cl OR51817 [0,0,0,0,1,0|1,0,0]=2 110 B5R0.5 CN(C)C(=S)Cl OR28875 [0,0,0,0,1,0|1,1,0]=3 111 B5R0.5 CN(C)C(=S)[S-] OR9121 [0,0,0,0,1,0|1,1,0]=3 112 B5R0.5 CN(C)C(N)=O OR48247 [0,0,0,0,1,0|0,0,0]=1 113 B5R0.5 C[C@@H](Cl)C(=O)O OR52411 [0,0,0,0,1,0|3,0,0]=4 114 B5R0.5 C[C@@H](O)C(=O)O OR960721 [0,0,0,0,1,0|3,0,0]=4 115 B5R0.5 C[C@@H](O)C(N)=O OR18079 [0,0,0,0,1,0|2,0,0]=3 116 B5R0.5 C[C@H](Cl)C(=O)O OR28944 [0,0,0,0,1,0|3,0,0]=4 117 B5R0.5 C[C@H](N)C(N)=O OR22615 [0,0,0,0,1,0|2,0,0]=3 118 B5R0.5 NC(=O)C(=O)O OR54598 [0,0,0,0,1,0|3,0,0]=4 119 B5R0.5 NC(=O)C(Cl)Cl OR14320 [0,0,0,0,1,0|3,0,0]=4 120 B5R0.5 NC(=O)C(N)=O OR16936 [0,0,0,0,1,0|3,0,0]=4 121 B5R0.5 [C@H](C)(N)C(N)=O OR22614 [0,0,0,0,1,0|2,0,0]=3 122 B7R0.6 CC(=O)C=CC(C)C OR27820 [0,0,0,0,0,1|2,0,1]=4 123 B7R0.6 CC(=O)CCC(C)=O OR8860 [0,0,0,0,0,1|3,0,0]=4 124 B7R0.6 CC(=O)OCC(=O)Cl OR1899 [0,0,0,0,0,1|3,0,0]=4 125 B7R0.6 CC(C)CCC(=O)O OR40421 [0,0,0,0,0,1|2,0,0]=3 126 B7R0.6 CC(C)OCC(=O)O OR46564 [0,0,0,0,0,1|2,0,0]=3 127 B7R0.6 CC(C)\C=C/C(=O)O OR6364 [0,0,0,0,0,1|2,0,1]=4 128 B7R0.6 CN(C)C=C[N+](=O)[O-] OR7588 [0,0,0,0,0,1|2,0,1]=4 129 B7R0.6 CN(C)CCN(C)C OR7140 [0,0,0,0,0,1|3,0,0]=4 130 B4R0.1 C=C(C)CC OR14507 [2,0,0,0,0,0|2,0,0]=4 131 B4R0.1 C=C(C)CN OR10897 [2,0,0,0,0,0|1,0,1]=4 132 B4R0.1 C=C(C)CN OR59958 [2,0,0,0,0,0|1,0,1]=4 133 B4R0.1 C=CC(C)C OR460043 [2,0,0,0,0,0|1,0,1]=4 134 B4R0.1 CC(=O)C=O OR53061 [2,0,0,0,0,0|2,0,0]=4 135 B4R0.1 CC(=O)C=O OR5752 [2,0,0,0,0,0|2,0,0]=4 136 B4R0.1 CC(=O)CO OR17702 [2,0,0,0,0,0|2,0,0]=4 137 B4R0.1 CC(=O)NO OR6375T [2,0,0,0,0,0|2,0,0]=4 138 B4R0.1 CC(C)=CCl OR16424 [2,0,0,0,0,0|2,0,0]=4 139 B4R0.1 CC(C)C=O OR322092 [2,0,0,0,0,0|1,0,0]=3 140 B4R0.1 CC(C)CI OR2195 [2,0,0,0,0,0|2,0,0]=4 141 B4R0.1 CC(C)NN OR7919 [2,0,0,0,0,0|2,0,0]=4 142 B4R0.1 CC(C)ON OR933332 [2,0,0,0,0,0|2,0,0]=4 143 B4R0.1 CCC(=N)N OR200136 [2,0,0,0,0,0|1,0,0]=3 144 B4R0.1 CCC(=O)[O-] OR70110 [2,0,0,0,0,0|1,0,0]=3 145 B4R0.1 CC[C@@H](C)N OR59999 [2,0,0,0,0,0|1,0,1]=4 146 B4R0.1 CC[C@H](C)N OR60000 [2,0,0,0,0,0|1,0,1]=4 147 B4R0.1 CN(C)C#N OR12758 [2,0,0,0,0,0|0,0,2]=4 148 B4R0.1 COC(N)=O OR46510 [2,0,0,0,0,0|1,0,0]=3 149 B4R0.1 CSC(=N)N OR25052 [2,0,0,0,0,0|2,0,0]=4 150 B4R0.1 C[C@@H](O)CN OR304058 [2,0,0,0,0,0|2,0,0]=4 151 B4R0.1 C[C@H](O)CN OR30797 [2,0,0,0,0,0|2,0,0]=4 152 B4R0.1 N=C(N)CCl OR3921 [2,0,0,0,0,0|2,0,0]=4 153 B4R0.1 N=C(N)NN OR52394 [2,0,0,0,0,0|2,0,0]=4 154 B4R0.1 NC(=O)CBr OR6592 [2,0,0,0,0,0|1,0,0]=3 155 B4R0.1 NC(=O)CCl OR12801 [2,0,0,0,0,0|1,0,0]=3 156 B4R0.1 NC(=O)CI OR59962 [2,0,0,0,0,0|1,0,0]=3 157 B4R0.1 NC(=O)CO OR21888 [2,0,0,0,0,0|1,0,0]=3 158 B4R0.1 NC(=O)CS OR24255 [2,0,0,0,0,0|1,0,0]=3 159 B4R0.1 NC(=O)NO OR9108 [2,0,0,0,0,0|1,0,0]=3 160 B4R0.1 O=C(Cl)CBr OR54475 [2,0,0,0,0,0|2,0,0]=4 161 B4R0.1 O=C(O)CBr OR6366 [2,0,0,0,0,0|2,0,0]=4 162 B4R0.1 O=C(O)CI OR322006 [2,0,0,0,0,0|2,0,0]=4 163 B4R0.1 O=C(O)CO OR13191 [2,0,0,0,0,0|2,0,0]=4 164 B4R0.1 O=C([O-])CS OR30627 [2,0,0,0,0,0|2,0,0]=4 165 B4R0.2 C=CCCC OR5326 [2,0,0,0,0,0|2,0,0]=4 166 B4R0.2 C=CCNC OR3619 [2,0,0,0,0,0|1,0,0]=3 167 B4R0.2 CCOC=O OR28814 [2,0,0,0,0,0|2,0,0]=4 168 B4R0.2 CNCCN OR6516 [2,0,0,0,0,0|0,0,1]=3 169 B4R0.2 COCCN OR59868 [2,0,0,0,0,0|1,0,1]=4 170 B4R0.2 CSCCN OR4873 [2,0,0,0,0,0|1,0,1]=4 171 B6R0.1 CCCC(=N)NO OR12351 [1,1,0,0,0,0|2,0,0]=4 172 B6R0.1 CCOC(=O)CN OR43634 [1,1,0,0,0,0|2,0,0]=4 173 B6R0.1 CCOC(=O)NN OR25885 [1,1,0,0,0,0|2,0,0]=4 174 B6R0.1 CCOC(=O)NO OR9111 [1,1,0,0,0,0|2,0,0]=4 175 B6R0.1 CNC(=O)CC#N OR21454 [1,1,0,0,0,0|2,0,0]=4 176 B6R0.1 CNC(=O)CCN OR16480 [1,1,0,0,0,0|2,0,0]=4 177 B6R0.1 CNC(=O)CCN OR51734 [1,1,0,0,0,0|2,0,0]=4 178 B6R0.1 CNCC(=O)OC OR26803 [1,1,0,0,0,0|1,0,0]=3 179 B6R0.1 COC(=O)CSC OR9387 [1,1,0,0,0,0|2,0,0]=4 180 B6R0.1 N#CCC(=O)NN OR24063 [1,1,0,0,0,0|2,0,0]=4 181 B6R0.3 CCC(N)C(=O)O OR9986 [1,1,0,0,0,0|2,0,0]=4 182 B6R0.3 CC[C@@H](N)C(=O)O OR9988 [1,1,0,0,0,0|2,0,0]=4 183 B6R0.3 CC[C@H](C)C(=O)O OR315294 [1,1,0,0,0,0|2,0,0]=4 184 B6R0.3 CC[C@H](Cl)C(=O)O OR54621 [1,1,0,0,0,0|2,0,0]=4 185 B6R0.3 CC[C@H](N)C(=O)O OR01636 [1,1,0,0,0,0|2,0,0]=4 186 B6R0.3 CC[C@H](N)C(N)=O OR46608 [1,1,0,0,0,0|1,0,0]=3 187 B6R0.3 CN(C)C(=O)CN OR12015 [1,1,0,0,0,0|0,0,2]=4 188 B6R0.3 CN(C)C(=O)CN OR952034 [1,1,0,0,0,0|0,0,2]=4 189 B6R0.3 CNC(=O)C(=O)O OR016302 [1,1,0,0,0,0|1,0,1]=4 190 B6R0.3 CNC(C)C(=O)O OR930477 [1,1,0,0,0,0|1,0,0]=3 191 B6R0.3 CN[C@@H](C)C(=O)O OR61451 [1,1,0,0,0,0|1,0,0]=3 192 B6R0.3 N#CC(N)C(N)=O OR13271 [1,1,0,0,0,0|2,0,0]=4 193 B6R0.4 C#CCNC(N)=O OR23964 [1,1,0,0,0,0|1,0,1]=4 194 B6R0.4 CC(=O)CCCCl OR10086 [1,1,0,0,0,0|2,0,0]=4 195 B6R0.4 CCCCC(C)=O OR10020 [1,1,0,0,0,0|2,0,0]=4 196 B6R0.4 CCCOC(C)=O OR5312 [1,1,0,0,0,0|2,0,0]=4 197 B6R0.4 CCOCC(=O)O OR6531 [1,1,0,0,0,0|2,0,0]=4 198 B6R0.4 CN(C)C=CC#N OR7503 [1,1,0,0,0,0|0,0,2]=4 199 B6R0.4 CN(C)CCCCl OR0910 [1,1,0,0,0,0|1,0,1]=4 200 B6R0.4 CN(C)CCCN OR54483 [1,1,0,0,0,0|0,0,1]=3 201 B6R0.4 CN(C)CCNN OR59434 [1,1,0,0,0,0|0,0,1]=3 202 B6R0.4 CNCCC(=O)O OR301194 [1,1,0,0,0,0|1,0,0]=3 203 B6R0.4 CNCCC(N)=O OR17506 [1,1,0,0,0,0|0,0,0]=2 204 B6R0.4 NC(=O)NCCO OR17003 [1,1,0,0,0,0|2,0,0]=4 205 B6R0.4 NCCCC(=O)O OR01972 [1,1,0,0,0,0|2,0,0]=4 206 B6R0.4 O=C(Cl)CCCCl OR5355 [1,1,0,0,0,0|2,0,0]=4 207 B6R0.4 O=C(O)CCCBr OR4284 [1,1,0,0,0,0|2,0,0]=4 208 B6R0.5 C=CC[Si](C)(C)Cl OR55393 [1,1,0,0,0,0|2,0,0]=4 209 B6R0.5 CC(C)(O)CCN OR60244 [1,1,0,0,0,0|1,0,1]=4 210 B6R0.5 CCCS(N)(=O)=O OR11393 [1,1,0,0,0,0|2,0,0]=4 211 B6R0.5 C[N+](C)(C)CC=O OR2501 [1,1,0,0,0,0|0,0,1]=3 212 B6R0.7 CC(=O)C(C)(C)Br OR938435 [0,1,0,0,1,0|2,0,0]=4 213 B6R0.7 CC(=O)C(C)(C)C OR28613 [0,1,0,0,1,0|2,0,0]=4 214 B6R0.7 CC(C)(Br)C(N)=O OR59336 [0,1,0,0,1,0|1,0,0]=3 215 B6R0.7 CC(C)(C)C(=N)N OR27177 [0,1,0,0,1,0|2,0,0]=4 216 B6R0.7 CC(C)(C)C(=O)[O-] OR961732 [0,1,0,0,1,0|2,0,0]=4 217 B6R0.7 CC(C)(C)S(N)=O OR301075 [0,1,0,0,1,0|2,0,0]=4 218 B6R0.7 CC(C)(C)[S@@](N)=O OR3234 [0,1,0,0,1,0|2,0,0]=4 219 B6R0.7 CC(C)(C)[S@](N)=O OR3233 [0,1,0,0,1,0|2,0,0]=4 220 B6R0.7 CC(C)(O)C(=O)O OR4840 [0,1,0,0,1,0|2,0,0]=4 221 B6R0.7 CC(C)S(N)(=O)=O OR17829 [0,1,0,0,1,0|2,0,0]=4 222 B8R0.23 CC(C)C(N)CC(=O)O OR17575 [0,1,0,0,0,1|2,0,0]=4 223 B8R0.23 CC(C)[C@H](N)CC(=O)O OR17574 [0,1,0,0,0,1|2,0,0]=4 224 B8R0.23 CC(C)[C@H](N)CC(=O)O OR54508 [0,1,0,0,0,1|2,0,0]=4 225 B8R0.23 CN(C)C(=O)NC(=N)N OR15986 [0,1,0,0,0,1|1,0,1]=4 226 B8R0.29 CC(C)(C)CCC(=O)O OR318007 [0,1,0,0,0,1|2,0,0]=4 227 B8R0.29 CC(C)(C)OCC(=O)O OR0183 [0,1,0,0,0,1|2,0,0]=4 228 B8R0.2 CC[C@H](C)[C@@H](N)C(=O)O OR14897 [0,2,0,0,0,0|2,0,0]=4 229 B8R0.2 CO[C@H](C)[C@H](N)C(=O)O OR61331 [0,2,0,0,0,0|2,0,0]=4 230 B8R0.5 CCOC(=O)CC(N)=O OR59898 [0,2,0,0,0,0|2,0,0]=4 231 B8R0.5 CCOC(=O)C[S+](C)C OR5509 [0,2,0,0,0,0|2,0,0]=4 232 B8R0.16 COC(CC(C)=O)OC OR59432 [0,2,0,0,0,0|2,0,0]=4 233 B8R0.24 CC(C)(C)OC(=O)CN OR315773 [0,2,0,0,0,0|2,0,0]=4 234 B8R0.24 CC(C)(C)OC(=O)CN OR61270 [0,2,0,0,0,0|2,0,0]=4 235 B8R0.24 CC(C)(C)OC(=O)NN OR322134 [0,2,0,0,0,0|2,0,0]=4 236 B8R0.24 CC(C)(C)OC(=O)NO OR322101 [0,2,0,0,0,0|2,0,0]=4 237 B8R0.24 CNC(=O)OC(C)(C)C OR61100 [0,2,0,0,0,0|2,0,0]=4 238 B8R0.27 CC(C)(C)[C@H](N)C(=O)O OR0572 [0,2,0,0,0,0|2,0,0]=4 239 B8R0.27 CC(C)(S)[C@@H](N)C(=O)O OR18365 [0,2,0,0,0,0|2,0,0]=4 240 B6R1.2 CC1CCNC1 OR313066 [1,0,0,1,0,0|1,0,1]=4 241 B6R1.2 C[C@H]1CCNC1 OR313067 [1,0,0,1,0,0|1,0,1]=4 242 B6R1.2 NC1CCNC1 OR52187 [1,0,0,1,0,0|1,0,1]=4 243 B6R1.2 O=C1CCCC1 OR10095 [1,0,0,1,0,0|2,0,0]=4 244 B6R1.2 O=C1CCNC1 OR301124 [1,0,0,1,0,0|1,0,0]=3 245 B6R1.2 O=C1CCNC1 OR61343 [1,0,0,1,0,0|1,0,0]=3 246 B6R1.2 O=C1CCOC1 OR30821 [1,0,0,1,0,0|2,0,0]=4 247 B6R1.2 O=C1CCSC1 OR5506 [1,0,0,1,0,0|2,0,0]=4 248 B6R1.2 S=C1CCCN1 OR22113 [1,0,0,1,0,0|1,1,0]=4 249 B6R1.3 NCCC1CC1 OR19507 [1,0,0,1,0,0|1,0,1]=4 250 B6R1.5 CN1CC(N)C1 OR313027 [1,0,0,1,0,0|0,0,1]=3 251 B6R1.5 CN1CC(O)C1 OR308027 [1,0,0,1,0,0|0,0,2]=4 252 B6R1.5 CN1CC(O)C1 OR317154 [1,0,0,1,0,0|0,0,2]=4 253 B6R1.5 NC1CC(=O)C1 OR308095 [1,0,0,1,0,0|2,0,0]=4 254 B6R1.11 CC(=O)C1CC1 OR10100 [1,0,0,1,0,0|2,0,0]=4 255 B6R1.11 CC(=O)C1CO1 OR01831 [1,0,0,1,0,0|2,0,0]=4 256 B6R1.11 N=C(N)C1CC1 OR27201 [1,0,0,1,0,0|2,0,0]=4 257 B6R1.11 NC(=O)C1CC1 OR18286 [1,0,0,1,0,0|1,0,0]=3 258 B6R1.11 O=C(Cl)C1CC1 OR17255 [1,0,0,1,0,0|2,0,0]=4 259 B6R1.11 O=C(O)C1CC1 OR5295 [1,0,0,1,0,0|2,0,0]=4 260 B8R1.3 CC1=NNC(=O)CC1 OR21385 [0,0,0,1,0,1|2,0,0]=4 261 B8R1.3 CC1CCC(=O)CC1 OR5041 [0,0,0,1,0,1|2,0,0]=4 262 B8R1.3 CN1CCC(=O)CC1 OR0648 [0,0,0,1,0,1|1,0,0]=3 263 B8R1.3 CN1CCC(N)CC1 OR6512 [0,0,0,1,0,1|1,0,1]=4 264 B8R1.3 O=C1CCC(=O)NC1 OR305436 [0,0,0,1,0,1|2,0,0]=4 265 B8R1.3 O=C1CCC(O)CN1 OR313048 [0,0,0,1,0,1|2,0,0]=4 266 B8R1.3 O=C1CNC(=O)CN1 OR30359 [0,0,0,1,0,1|2,0,0]=4 267 B8R1.23 CN1CC(C(=O)O)C1 OR308026 [0,0,0,1,0,1|1,0,0]=3 268 B8R1.35 NC(=S)NCC1CC1 OR28359 [0,0,0,1,0,1|1,1,0]=4 269 B8R1.35 O=C(O)CCC1CC1 OR313064 [0,0,0,1,0,1|2,0,0]=4 270 B8R1.51 CC1(C)CCC(=O)O1 OR313007 [0,0,0,1,0,1|2,0,0]=4 271 B8R1.51 CC1(C)CNC(=O)C1 OR315573 [0,0,0,1,0,1|2,0,0]=4 272 B8R1.51 CC1(C)COC(=S)N1 OR25431 [0,0,0,1,0,1|1,1,0]=4 273 B8R1.77 CC1(C)CC1C(N)=O OR22745 [0,0,0,1,0,1|1,0,0]=3 274 B8R1.77 [C@H]1(C(N)=O)CC1(C)C OR9436 [0,0,0,1,0,1|1,0,0]=3 275 B8R1.1 O=C1CC(CO)CN1 OR300508 [0,1,0,1,0,0|1,0,0]=3 276 B8R1.4 CC1CC(=O)CCO1 OR54543 [0,1,0,1,0,0|2,0,0]=4 277 B8R1.4 CN1CCCC(=O)C1 OR55488 [0,1,0,1,0,0|1,0,0]=3 278 B8R1.4 CN1CCCC(=O)C1 OR55582 [0,1,0,1,0,0|1,0,0]=3 279 B8R1.4 CN1CCCC(N)C1 OR0801 [0,1,0,1,0,0|1,0,1]=4 280 B8R1.4 O=C1CCNC(=O)C1 OR48245 [0,1,0,1,0,0|2,0,0]=4 281 B8R1.18 CC1=CC(N)=NN1C OR46245 [0,1,0,1,0,0|2,0,0]=4 282 B8R1.18 CC1=CC(N)=NN1C OR46246 [0,1,0,1,0,0|2,0,0]=4 283 B8R1.18 CC1=NN(C)C(=O)C1 OR26105 [0,1,0,1,0,0|2,0,0]=4 284 B8R1.18 CN1CC(=O)NC1=O OR18274 [0,1,0,1,0,0|0,0,1]=3 285 B8R1.34 O=C(O)CC1CCC1 OR312055 [0,1,0,1,0,0|2,0,0]=4 286 B8R1.62 CC1(CO)CC(=O)C1 OR317302 [0,1,0,1,0,0|2,0,0]=4 287 B8R1.50 CC1=C(C)C(=O)NC1 OR21805 [0,1,0,1,0,0|1,0,1]=4 288 B8R1.50 CC1=NNC(=O)C1C OR26970 [0,1,0,1,0,0|2,0,0]=4 289 B8R2.38 O=C1CCC2CC12 OR70212 [0,0,0,2,0,0|2,0,0]=4 290 B8R0.28 CC(=O)CCCN(C)C OR22887 [0,0,0,0,0,2|1,0,0]=3