0 B6R0.4 C#CCCC(C)O L18987 [0,0,0,0,0,0|1,0,3]=4 1 B6R0.4 C#CCNC(C)=O P36776 [0,0,0,0,0,0|2,0,2]=4 2 B6R0.4 C#CCOC(N)=O O30954 [0,0,0,0,0,0|2,0,2]=4 3 B6R0.4 CCNCC(=O)O P37534 [0,0,0,0,0,0|1,0,0]=1 4 B6R0.4 CCNCC(N)=O P36580 [0,0,0,0,0,0|2,0,0]=2 5 B6R0.4 CN(C)CCCBr O34500 [0,0,0,0,0,0|4,0,0]=4 6 B6R0.4 CNCCC(=O)O P36779 [0,0,0,0,0,0|1,0,0]=1 7 B6R0.4 CNCCC(=O)O P39205 [0,0,0,0,0,0|1,0,0]=1 8 B6R0.4 CNCCC(C)O P38146 [0,0,0,0,0,0|2,0,1]=3 9 B6R0.4 CNCCC(N)=O P37896 [0,0,0,0,0,0|2,0,0]=2 10 B6R0.4 O=C(O)\C=C\CBr P41388 [0,0,0,0,0,0|1,0,2]=3 11 B6R0.4 O=CNCC(=O)O P39379 [0,0,0,0,0,0|2,0,1]=3 12 B6R0.4 [N-]=[N+]=NCC(=O)O P40297 [0,0,0,0,0,0|3,0,0]=3 13 B5R0.1 CC(O)CCN M22972 [1,0,0,0,0,0|2,0,1]=4 14 B5R0.1 CCC[C@H](C)N I-9318 [1,0,0,0,0,0|2,0,1]=4 15 B5R0.1 CNCC(C)O P40721 [1,0,0,0,0,0|2,0,1]=4 16 B5R0.1 CNC[C@@H](C)O P41738 [1,0,0,0,0,0|2,0,1]=4 17 B5R0.1 CNC[C@H](C)O P36531 [1,0,0,0,0,0|2,0,1]=4 18 B5R0.1 COCC(=N)N O34478 [1,0,0,0,0,0|3,0,0]=4 19 B5R0.1 O=C(O)CCF A-698 [1,0,0,0,0,0|1,0,0]=2 20 B5R0.2 C#CCCCI P39399 [1,0,0,0,0,0|2,0,1]=4 21 B5R0.2 C#CCCCO P37563 [1,0,0,0,0,0|0,0,3]=4 22 B5R0.2 C#CCCNC L20446 [1,0,0,0,0,0|2,0,1]=4 23 B5R0.2 C#CCNCC P37598 [1,0,0,0,0,0|2,0,1]=4 24 B5R0.2 C#CCOCC O29883 [1,0,0,0,0,0|2,0,1]=4 25 B5R0.2 CCNCCCl L21040 [1,0,0,0,0,0|2,0,1]=4 26 B5R0.2 CNCCSC M23087 [1,0,0,0,0,0|3,0,0]=4 27 B5R0.2 CSCCCN P39434 [1,0,0,0,0,0|2,0,1]=4 28 B5R0.2 NCCCCS L19142 [1,0,0,0,0,0|1,1,1]=4 29 B7R0.2 CCC(=O)CC(=O)O P43007 [0,1,0,0,0,0|0,0,1]=2 30 B7R0.2 CCC(=O)CC(C)=O O31794 [0,1,0,0,0,0|1,0,1]=3 31 B7R0.2 CC[C@@H](N)CC(=O)O M23217 [0,1,0,0,0,0|0,0,0]=1 32 B7R0.2 CC[C@H](N)CC(=O)O M23203 [0,1,0,0,0,0|0,0,0]=1 33 B7R0.2 CC[C@H](N)CN(C)C Q66181 [0,1,0,0,0,0|3,0,0]=4 34 B7R0.2 CNC(=O)CC(=O)O P38150 [0,1,0,0,0,0|1,0,1]=3 35 B7R0.2 NCC(O)CC(=O)O P35068 [0,1,0,0,0,0|1,0,0]=2 36 B7R0.2 N[C@@H](CO)CC(=O)O Q68983 [0,1,0,0,0,0|1,0,0]=2 37 B7R0.2 N[C@@H](CO)CC(=O)O Q68986 [0,1,0,0,0,0|1,0,0]=2 38 B7R0.2 N[C@H](CO)CC(=O)O Q68987 [0,1,0,0,0,0|1,0,0]=2 39 B7R0.2 N[C@H](CO)CC(=O)O Q68989 [0,1,0,0,0,0|1,0,0]=2 40 B7R0.3 CCCC[C@@H](N)CO P35979 [0,1,0,0,0,0|1,0,1]=3 41 B7R0.3 CCCC[C@H](N)CO P35978 [0,1,0,0,0,0|1,0,1]=3 42 B7R0.3 CCCNC(=O)CN P36648 [0,1,0,0,0,0|2,0,0]=3 43 B7R0.3 CCOCC(O)CN L19068 [0,1,0,0,0,0|2,0,1]=4 44 B7R0.3 CC\C=C\C(=O)OC Q70108 [0,1,0,0,0,0|0,0,2]=3 45 B7R0.3 CNC(=O)CCCN P40550 [0,1,0,0,0,0|2,0,0]=3 46 B7R0.3 CNCCC(=O)NC P37767 [0,1,0,0,0,0|2,0,0]=3 47 B7R0.3 CNCCC(=O)OC P36826 [0,1,0,0,0,0|1,0,0]=2 48 B7R0.3 COC(=O)CN=[N+]=[N-] P40367 [0,1,0,0,0,0|3,0,0]=4 49 B7R0.3 CSCCC(N)CO P37819 [0,1,0,0,0,0|2,0,1]=4 50 B7R0.4 C#CCNCC(=O)O L20673 [0,1,0,0,0,0|0,0,2]=3 51 B7R0.4 C#CCOCC(=O)O O29707 [0,1,0,0,0,0|0,0,2]=3 52 B7R0.4 C=CCOCC(=O)O P39548 [0,1,0,0,0,0|0,0,2]=3 53 B7R0.4 CC(=O)NCCCN P38199 [0,1,0,0,0,0|2,0,0]=3 54 B7R0.4 CNCCNC(C)=O P41559 [0,1,0,0,0,0|2,0,0]=3 55 B7R0.4 COCCCC(=O)O P39031 [0,1,0,0,0,0|0,0,0]=1 56 B7R0.4 NCCNCC(=O)O O28634 [0,1,0,0,0,0|1,0,0]=2 57 B7R0.4 NCCOCC(=O)O P35961 [0,1,0,0,0,0|1,0,0]=2 58 B7R0.4 [N-]=[N+]=NCCC(=O)O 10071 [0,1,0,0,0,0|2,0,0]=3 59 B7R0.5 C#CCC(N)C(=O)O P37796 [0,1,0,0,0,0|0,0,2]=3 60 B7R0.5 C#CC[C@@H](N)C(=O)O P39505 [0,1,0,0,0,0|0,0,2]=3 61 B7R0.5 C#CC[C@H](N)C(=O)O P39506 [0,1,0,0,0,0|0,0,2]=3 62 B7R0.5 C=CC[C@@H](N)C(=O)O P37509 [0,1,0,0,0,0|0,0,2]=3 63 B7R0.5 C=CC[C@H](N)C(=O)O O28653 [0,1,0,0,0,0|0,0,2]=3 64 B7R0.5 C=CC[C@H](N)C(=O)O P40769 [0,1,0,0,0,0|0,0,2]=3 65 B7R0.5 CC(=O)N(C)CCN P35211 [0,1,0,0,0,0|3,0,0]=4 66 B7R0.5 CCCC(C)C(C)N L19280 [0,1,0,0,0,0|2,0,1]=4 67 B7R0.5 CCC[C@H](O)C(=O)O P51274 [0,1,0,0,0,0|0,0,0]=1 68 B7R0.5 CCNC(C)C(=O)O P36832 [0,1,0,0,0,0|1,0,0]=2 69 B7R0.5 CCN[C@@H](C)C(=O)O P36816 [0,1,0,0,0,0|1,0,0]=2 70 B7R0.5 CCN[C@H](C)C(=O)O P35138 [0,1,0,0,0,0|1,0,0]=2 71 B7R0.5 CCOC(=O)C(=O)O P37044 [0,1,0,0,0,0|1,0,1]=3 72 B7R0.5 COC[C@@H](N)C(=O)O P35719 [0,1,0,0,0,0|1,0,0]=2 73 B7R0.5 COC[C@H](N)C(=O)O P38808 [0,1,0,0,0,0|1,0,0]=2 74 B7R0.5 N[C@@H](CCBr)C(=O)O P41033 [0,1,0,0,0,0|1,0,0]=2 75 B7R0.5 N[C@@H](CCS)C(=O)O A-694 [0,1,0,0,0,0|1,0,0]=2 76 B7R0.6 CC(=O)OCC(C)O P36972 [0,1,0,0,0,0|2,0,0]=3 77 B7R0.6 CC(C)=CCC(=O)O P43260 [0,1,0,0,0,0|0,0,2]=3 78 B7R0.6 CC(C)OCC(=O)O P38749 [0,1,0,0,0,0|1,0,0]=2 79 B7R0.6 O=C(O)CCC(F)F S72753 [0,1,0,0,0,0|1,0,0]=2 80 B7R0.8 CCCCS(=O)(=O)O O30093 [0,1,0,0,0,0|1,0,0]=2 81 B7R0.8 CNCCC(C)(C)O M22918 [0,1,0,0,0,0|2,0,1]=4 82 B7R0.8 CNCCS(C)(=O)=O P39970 [0,1,0,0,0,0|2,0,1]=4 83 B7R0.8 COCCS(=O)(=O)Cl P45530 [0,1,0,0,0,0|2,0,1]=4 84 B7R1.2 CC1=NC(C)CO1 M15289 [0,0,0,1,0,0|3,0,0]=4 85 B7R1.2 CC1CC(O)CN1 Q59204 [0,0,0,1,0,0|2,0,1]=4 86 B7R1.2 CC1CC(O)CN1 Q59205 [0,0,0,1,0,0|2,0,1]=4 87 B7R1.2 CC1CCC(N)C1 Q56970 [0,0,0,1,0,0|2,0,1]=4 88 B7R1.2 CC1CNC(=O)C1 L13710 [0,0,0,1,0,0|2,0,0]=3 89 B7R1.2 CC1CNC(=O)O1 P51279 [0,0,0,1,0,0|1,0,0]=2 90 B7R1.2 CN1CCC(O)C1 C-3294 [0,0,0,1,0,0|2,0,1]=4 91 B7R1.2 CN1CC[C@@H](O)C1 C-3296 [0,0,0,1,0,0|2,0,1]=4 92 B7R1.2 CN1CC[C@H](O)C1 C-3295 [0,0,0,1,0,0|2,0,1]=4 93 B7R1.2 C[C@@H]1CC[C@@H](C)N1 O32970 [0,0,0,1,0,0|2,0,1]=4 94 B7R1.2 C[C@@H]1CC[C@@H](C)N1 Q61707 [0,0,0,1,0,0|2,0,1]=4 95 B7R1.2 C[C@@H]1CC[C@@H](C)N1 Q61742 [0,0,0,1,0,0|2,0,1]=4 96 B7R1.2 C[C@@H]1CNC(=O)C1 L22301 [0,0,0,1,0,0|2,0,0]=3 97 B7R1.2 C[C@@H]1CNC(=O)O1 P42625 [0,0,0,1,0,0|1,0,0]=2 98 B7R1.2 C[C@@H]1C[C@@H](O)CN1 Q56025 [0,0,0,1,0,0|2,0,1]=4 99 B7R1.2 C[C@@H]1C[C@H](O)CN1 L14502 [0,0,0,1,0,0|2,0,1]=4 100 B7R1.2 C[C@H]1CC[C@@H](C)N1 O32965 [0,0,0,1,0,0|2,0,1]=4 101 B7R1.2 C[C@H]1CC[C@@H](C)N1 Q61708 [0,0,0,1,0,0|2,0,1]=4 102 B7R1.2 C[C@H]1CNC(=O)C1 L18264 [0,0,0,1,0,0|2,0,0]=3 103 B7R1.2 C[C@H]1C[C@@H](O)CN1 Q56026 [0,0,0,1,0,0|2,0,1]=4 104 B7R1.2 C[C@H]1C[C@H](O)CN1 L13861 [0,0,0,1,0,0|2,0,1]=4 105 B7R1.2 NC1=CC(=O)CC1 O29931 [0,0,0,1,0,0|2,0,1]=4 106 B7R1.2 NC1CCC(O)C1 G-5810 [0,0,0,1,0,0|2,0,1]=4 107 B7R1.2 NC1CNC(=O)C1 G-6478 [0,0,0,1,0,0|3,0,0]=4 108 B7R1.2 NC1CNC(=O)C1 L13560 [0,0,0,1,0,0|3,0,0]=4 109 B7R1.2 N[C@@H]1CC[C@@H](O)C1 G-6580 [0,0,0,1,0,0|2,0,1]=4 110 B7R1.2 N[C@@H]1CC[C@@H](O)C1 L13346 [0,0,0,1,0,0|2,0,1]=4 111 B7R1.2 N[C@@H]1CC[C@@H](O)C1 Q57092 [0,0,0,1,0,0|2,0,1]=4 112 B7R1.2 N[C@@H]1CC[C@H](O)C1 L13208 [0,0,0,1,0,0|2,0,1]=4 113 B7R1.2 N[C@@H]1CC[C@H](O)C1 Q57094 [0,0,0,1,0,0|2,0,1]=4 114 B7R1.2 N[C@@H]1CNC(=O)C1 L13184 [0,0,0,1,0,0|3,0,0]=4 115 B7R1.2 N[C@@H]1CNC(=O)C1 P44245 [0,0,0,1,0,0|3,0,0]=4 116 B7R1.2 N[C@H]1CC[C@@H](O)C1 G-6579 [0,0,0,1,0,0|2,0,1]=4 117 B7R1.2 N[C@H]1CC[C@@H](O)C1 K10902 [0,0,0,1,0,0|2,0,1]=4 118 B7R1.2 N[C@H]1CC[C@@H](O)C1 L21276 [0,0,0,1,0,0|2,0,1]=4 119 B7R1.2 N[C@H]1CC[C@H](O)C1 I-9981 [0,0,0,1,0,0|2,0,1]=4 120 B7R1.2 N[C@H]1CC[C@H](O)C1 Q57093 [0,0,0,1,0,0|2,0,1]=4 121 B7R1.2 N[C@H]1CNC(=O)C1 L13183 [0,0,0,1,0,0|3,0,0]=4 122 B7R1.2 O=C1CC(O)CN1 P39299 [0,0,0,1,0,0|3,0,0]=4 123 B7R1.2 O=C1CCC(=O)C1 I-9301 [0,0,0,1,0,0|2,0,1]=4 124 B7R1.2 O=C1CCC(Br)C1 Q56972 [0,0,0,1,0,0|2,0,0]=3 125 B7R1.2 O=C1CCC(F)C1 Q55724 [0,0,0,1,0,0|2,0,0]=3 126 B7R1.2 O=C1CCC(O)C1 H-8145 [0,0,0,1,0,0|2,0,0]=3 127 B7R1.2 O=C1C[C@@H](O)CN1 M22799 [0,0,0,1,0,0|3,0,0]=4 128 B7R1.2 O=C1C[C@@H](S)CN1 I-9138 [0,0,0,1,0,0|3,0,0]=4 129 B7R1.2 OC1CCC(F)C1 Q55723 [0,0,0,1,0,0|2,0,1]=4 130 B7R1.2 OC1CCC(O)C1 L14091 [0,0,0,1,0,0|2,0,1]=4 131 B7R1.2 O[C@@H]1CC[C@@H](O)C1 O33251 [0,0,0,1,0,0|2,0,1]=4 132 B7R1.2 O[C@H]1CC[C@@H](O)C1 L14976 [0,0,0,1,0,0|2,0,1]=4 133 B7R1.2 O[C@H]1CC[C@H](O)C1 Q57036 [0,0,0,1,0,0|2,0,1]=4 134 B7R1.3 BrC1=CCCCC1 N24288 [0,0,0,1,0,0|2,0,0]=3 135 B7R1.3 BrC1=CCCNC1 Q65300 [0,0,0,1,0,0|3,0,0]=4 136 B7R1.3 C=C1CCCNC1 Q59836 [0,0,0,1,0,0|3,0,0]=4 137 B7R1.3 C=C1CCCOC1 Q54979 [0,0,0,1,0,0|3,0,0]=4 138 B7R1.3 C=C1CCNCC1 H-8338 [0,0,0,1,0,0|3,0,0]=4 139 B7R1.3 C=C1CCNCC1 Q55164 [0,0,0,1,0,0|3,0,0]=4 140 B7R1.3 C=C1CCOCC1 L13714 [0,0,0,1,0,0|3,0,0]=4 141 B7R1.3 CC1=CCCNC1 I-9121 [0,0,0,1,0,0|3,0,0]=4 142 B7R1.3 CC1=CCNCC1 I-9119 [0,0,0,1,0,0|3,0,0]=4 143 B7R1.3 CC1CNCCO1 B-1061 [0,0,0,1,0,0|2,0,1]=4 144 B7R1.3 CC1CNCCO1 B-1061-1 [0,0,0,1,0,0|2,0,1]=4 145 B7R1.3 C[C@@H]1CCCCN1 P40572 [0,0,0,1,0,0|2,0,1]=4 146 B7R1.3 C[C@@H]1CNCCO1 B-1063 [0,0,0,1,0,0|2,0,1]=4 147 B7R1.3 C[C@@H]1CNCCO1 B-1063-1 [0,0,0,1,0,0|2,0,1]=4 148 B7R1.3 C[C@H]1CCCCN1 P38855 [0,0,0,1,0,0|2,0,1]=4 149 B7R1.3 C[C@H]1CCCCN1 Q54716 [0,0,0,1,0,0|2,0,1]=4 150 B7R1.3 C[C@H]1CNCCO1 B-1062 [0,0,0,1,0,0|2,0,1]=4 151 B7R1.3 C[C@H]1CNCCO1 B-1062-1 [0,0,0,1,0,0|2,0,1]=4 152 B7R1.3 N=C1NCCCO1 L19177 [0,0,0,1,0,0|2,0,0]=3 153 B7R1.3 NC1=NCCCN1 M15172 [0,0,0,1,0,0|3,0,0]=4 154 B7R1.3 O=C1C=CCCN1 O34600 [0,0,0,1,0,0|1,0,2]=4 155 B7R1.3 O=C1C=CCOC1 L22520 [0,0,0,1,0,0|2,0,1]=4 156 B7R1.3 O=C1C=COCC1 Q54629 [0,0,0,1,0,0|2,0,1]=4 157 B7R1.3 O=C1CC=CCC1 Q53604 [0,0,0,1,0,0|1,0,2]=4 158 B7R1.3 O=C1CCCNC1 A-184 [0,0,0,1,0,0|2,0,0]=3 159 B7R1.3 O=C1CCCOC1 G-6070 [0,0,0,1,0,0|2,0,0]=3 160 B7R1.3 O=C1CCCSC1 G-5937 [0,0,0,1,0,0|2,0,0]=3 161 B7R1.3 O=C1CCOCC1 B-1770 [0,0,0,1,0,0|2,0,0]=3 162 B7R1.3 O=C1CCSCC1 C-2949 [0,0,0,1,0,0|2,0,0]=3 163 B7R1.3 O=C1CNCCO1 O28295 [0,0,0,1,0,0|1,0,0]=2 164 B7R1.3 O=C1COCCN1 B-1038 [0,0,0,1,0,0|2,0,0]=3 165 B7R1.3 O=C1OCCCO1 P43743 [0,0,0,1,0,0|1,0,0]=2 166 B7R1.3 OC1CCCOC1 G-6220 [0,0,0,1,0,0|2,0,1]=4 167 B7R1.3 OC1CCNCC1 Q52555 [0,0,0,1,0,0|2,0,1]=4 168 B7R1.3 OC1CCOCC1 B-1769 [0,0,0,1,0,0|2,0,1]=4 169 B7R1.3 OC1CCSCC1 Q69934 [0,0,0,1,0,0|2,0,1]=4 170 B7R1.3 O[C@@H]1CCCNC1 K12060 [0,0,0,1,0,0|2,0,1]=4 171 B7R1.3 O[C@@H]1CCCOC1 P44487 [0,0,0,1,0,0|2,0,1]=4 172 B7R1.3 O[C@H]1CCCNC1 K12075 [0,0,0,1,0,0|2,0,1]=4 173 B7R1.3 O[C@H]1CCCNC1 L13549 [0,0,0,1,0,0|2,0,1]=4 174 B7R1.3 O[C@H]1CCCOC1 P51230 [0,0,0,1,0,0|2,0,1]=4 175 B7R1.10 C=C1CC(CBr)C1 P49895 [0,0,0,1,0,0|3,0,0]=4 176 B7R1.10 C=C1CC(CO)C1 P49896 [0,0,0,1,0,0|3,0,0]=4 177 B7R1.10 C=CC1CC(=O)C1 P45344 [0,0,0,1,0,0|1,0,2]=4 178 B7R1.10 CCC1CC(=O)C1 P44071 [0,0,0,1,0,0|1,0,0]=2 179 B7R1.10 CCC1CC(N)C1 P48761 [0,0,0,1,0,0|2,0,1]=4 180 B7R1.10 CCN1CC(O)C1 C-2413 [0,0,0,1,0,0|2,0,1]=4 181 B7R1.10 CCN1CC(O)C1 P44328 [0,0,0,1,0,0|2,0,1]=4 182 B7R1.10 CNC1CC(O)C1 G-5725 [0,0,0,1,0,0|2,0,1]=4 183 B7R1.10 CNC1CC(O)C1 P48534 [0,0,0,1,0,0|2,0,1]=4 184 B7R1.10 CN[C@H]1C[C@@H](O)C1 I-9565 [0,0,0,1,0,0|2,0,1]=4 185 B7R1.10 CN[C@H]1C[C@H](O)C1 G-7351 [0,0,0,1,0,0|2,0,1]=4 186 B7R1.10 CN[C@H]1C[C@H](O)C1 P49935 [0,0,0,1,0,0|2,0,1]=4 187 B7R1.10 COC1CC(=O)C1 F-4668 [0,0,0,1,0,0|2,0,0]=3 188 B7R1.10 COC1CC(O)C1 P48191 [0,0,0,1,0,0|2,0,1]=4 189 B7R1.10 CO[C@H]1C[C@@H](O)C1 P46991 [0,0,0,1,0,0|2,0,1]=4 190 B7R1.10 CO[C@H]1C[C@H](O)C1 P46971 [0,0,0,1,0,0|2,0,1]=4 191 B7R1.10 N#CC1CC(=O)C1 F-4231 [0,0,0,1,0,0|2,0,1]=4 192 B7R1.10 NCC1CC(=O)C1 C-2921 [0,0,0,1,0,0|2,0,0]=3 193 B7R1.10 NCC1CC(O)C1 G-5291 [0,0,0,1,0,0|2,0,1]=4 194 B7R1.10 NCC1CC(O)C1 P47397 [0,0,0,1,0,0|2,0,1]=4 195 B7R1.10 NC[C@H]1C[C@@H](O)C1 C-2431 [0,0,0,1,0,0|2,0,1]=4 196 B7R1.10 NC[C@H]1C[C@@H](O)C1 P44178 [0,0,0,1,0,0|2,0,1]=4 197 B7R1.10 NC[C@H]1C[C@H](O)C1 C-2432 [0,0,0,1,0,0|2,0,1]=4 198 B7R1.10 NC[C@H]1C[C@H](O)C1 C-2432-01 [0,0,0,1,0,0|2,0,1]=4 199 B7R1.10 O=C1CC(CBr)C1 G-6631 [0,0,0,1,0,0|2,0,0]=3 200 B7R1.10 O=C1CC(CBr)O1 Q57248 [0,0,0,1,0,0|1,0,0]=2 201 B7R1.10 O=C1CC(CCl)C1 L13121 [0,0,0,1,0,0|2,0,0]=3 202 B7R1.10 O=C1CC(CF)C1 P44872 [0,0,0,1,0,0|2,0,0]=3 203 B7R1.10 O=C1CC(CO)C1 D-2565 [0,0,0,1,0,0|2,0,0]=3 204 B7R1.10 O=C1CC(CO)N1 P45245 [0,0,0,1,0,0|2,0,0]=3 205 B7R1.10 O=C1C[C@H](CO)N1 Q53600 [0,0,0,1,0,0|2,0,0]=3 206 B7R1.10 OC1CC(CBr)C1 P47356 [0,0,0,1,0,0|2,0,1]=4 207 B7R1.10 OC1CC(CF)C1 P47254 [0,0,0,1,0,0|2,0,1]=4 208 B7R1.10 OCC1CC(O)C1 P49195 [0,0,0,1,0,0|2,0,1]=4 209 B7R1.10 O[C@H]1C[C@@H](CBr)C1 P46704 [0,0,0,1,0,0|2,0,1]=4 210 B7R1.10 O[C@H]1C[C@@H](CF)C1 P46123 [0,0,0,1,0,0|2,0,1]=4 211 B7R1.10 O[C@H]1C[C@H](CBr)C1 P46014 [0,0,0,1,0,0|2,0,1]=4 212 B7R1.12 CC1CC1C(=O)Cl O31612 [0,0,0,1,0,0|1,0,0]=2 213 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O P44059 [0,0,0,1,0,0|0,0,0]=1 214 B7R1.12 C[C@@H]1C[C@H]1C(=O)O L22375 [0,0,0,1,0,0|0,0,0]=1 215 B7R1.12 C[C@H]1C[C@H]1C(=O)O O33127 [0,0,0,1,0,0|0,0,0]=1 216 B7R1.12 O=C(O)C1CC1F Q52394 [0,0,0,1,0,0|1,0,0]=2 217 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F K10809 [0,0,0,1,0,0|1,0,0]=2 218 B7R1.12 O=C(O)[C@@H]1C[C@H]1F O33126 [0,0,0,1,0,0|1,0,0]=2 219 B7R1.12 O=C(O)[C@@H]1C[C@H]1F O33327 [0,0,0,1,0,0|1,0,0]=2 220 B7R1.12 O=C(O)[C@H]1C[C@@H]1F O33229 [0,0,0,1,0,0|1,0,0]=2 221 B7R1.12 O=C(O)[C@H]1C[C@H]1F K10802 [0,0,0,1,0,0|1,0,0]=2 222 B7R1.14 CC1(N)CCCC1 Q57352 [0,0,0,1,0,0|2,0,1]=4 223 B7R1.14 CC1(O)CCNC1 D-2556 [0,0,0,1,0,0|2,0,1]=4 224 B7R1.14 CC1(O)CCNC1 O28700 [0,0,0,1,0,0|2,0,1]=4 225 B7R1.14 C[C@@]1(O)CCNC1 H-8070 [0,0,0,1,0,0|2,0,1]=4 226 B7R1.14 C[C@@]1(O)CCNC1 Q52190 [0,0,0,1,0,0|2,0,1]=4 227 B7R1.14 C[C@]1(O)CCNC1 H-8071 [0,0,0,1,0,0|2,0,1]=4 228 B7R1.14 C[C@]1(O)CCNC1 O33042 [0,0,0,1,0,0|2,0,1]=4 229 B7R1.18 CC(=O)C1CCC1 Q54751 [0,0,0,1,0,0|1,0,0]=2 230 B7R1.18 CC(=O)C1CNC1 P44065 [0,0,0,1,0,0|2,0,0]=3 231 B7R1.18 CC(=O)C1CNC1 P48871 [0,0,0,1,0,0|2,0,0]=3 232 B7R1.18 CC(=O)C1CNC1 P48872 [0,0,0,1,0,0|2,0,0]=3 233 B7R1.18 CC(=O)C1COC1 Q56096 [0,0,0,1,0,0|2,0,0]=3 234 B7R1.18 CC(=O)N1CCC1 P45596 [0,0,0,1,0,0|2,0,0]=3 235 B7R1.18 CC(N)C1CCC1 L22474 [0,0,0,1,0,0|2,0,1]=4 236 B7R1.18 CC(N)C1CCC1 P45412 [0,0,0,1,0,0|2,0,1]=4 237 B7R1.18 CC(O)C1CCC1 P45236 [0,0,0,1,0,0|1,0,1]=3 238 B7R1.18 CC(O)C1CNC1 L18023 [0,0,0,1,0,0|2,0,1]=4 239 B7R1.18 CC(O)C1CNC1 P43762 [0,0,0,1,0,0|2,0,1]=4 240 B7R1.18 CC(O)C1COC1 P47968 [0,0,0,1,0,0|2,0,1]=4 241 B7R1.18 CS(=O)C1CNC1 P40256 [0,0,0,1,0,0|3,0,0]=4 242 B7R1.18 C[C@@H](N)C1CCC1 P45187 [0,0,0,1,0,0|2,0,1]=4 243 B7R1.18 C[C@@H](N)C1CCC1 P45332 [0,0,0,1,0,0|2,0,1]=4 244 B7R1.18 C[C@@H](O)C1COC1 Q53307 [0,0,0,1,0,0|2,0,1]=4 245 B7R1.18 C[C@H](N)C1CCC1 P48628 [0,0,0,1,0,0|2,0,1]=4 246 B7R1.18 C[C@H](O)C1CCC1 P47847 [0,0,0,1,0,0|1,0,1]=3 247 B7R1.18 C[C@H](O)C1COC1 Q53308 [0,0,0,1,0,0|2,0,1]=4 248 B7R1.18 N=C(N)C1CCC1 G-7205 [0,0,0,1,0,0|2,0,0]=3 249 B7R1.18 N=C(N)N1CCC1 P49826 [0,0,0,1,0,0|3,0,0]=4 250 B7R1.18 NC(=O)C1CCC1 O34470 [0,0,0,1,0,0|1,0,0]=2 251 B7R1.18 NC(=O)C1CCN1 O28301 [0,0,0,1,0,0|2,0,0]=3 252 B7R1.18 NC(=O)C1CNC1 C-2241 [0,0,0,1,0,0|2,0,0]=3 253 B7R1.18 NC(=O)C1CNC1 L21539 [0,0,0,1,0,0|2,0,0]=3 254 B7R1.18 NC(=O)N1CCC1 P45464 [0,0,0,1,0,0|2,0,0]=3 255 B7R1.18 NC(=S)C1CCC1 P47843 [0,0,0,1,0,0|1,1,0]=3 256 B7R1.18 NC(=S)N1CCC1 P45469 [0,0,0,1,0,0|2,1,0]=4 257 B7R1.18 O=C(O)C1CCN1 B-1112 [0,0,0,1,0,0|1,0,0]=2 258 B7R1.18 O=C(O)C1CCO1 D-2702 [0,0,0,1,0,0|1,0,0]=2 259 B7R1.18 O=C(O)C1CNC1 A-422 [0,0,0,1,0,0|1,0,0]=2 260 B7R1.18 O=C(O)C1CNC1 P42961 [0,0,0,1,0,0|1,0,0]=2 261 B7R1.18 O=C(O)C1COC1 A-970 [0,0,0,1,0,0|1,0,0]=2 262 B7R1.18 O=C(O)C1CSC1 H-8019 [0,0,0,1,0,0|1,0,0]=2 263 B7R1.18 O=C(O)[C@@H]1CCN1 B-1110 [0,0,0,1,0,0|1,0,0]=2 264 B7R1.18 O=C(O)[C@@H]1CCN1 P46195 [0,0,0,1,0,0|1,0,0]=2 265 B7R1.18 O=C(O)[C@@H]1CCO1 Q62698 [0,0,0,1,0,0|1,0,0]=2 266 B7R1.18 O=C(O)[C@H]1CCN1 B-1109 [0,0,0,1,0,0|1,0,0]=2 267 B7R1.18 O=C(O)[C@H]1CCN1 P45364 [0,0,0,1,0,0|1,0,0]=2 268 B7R1.18 O=C(O)[C@H]1CCO1 Q62699 [0,0,0,1,0,0|1,0,0]=2 269 B7R1.18 O=C([O-])C1=CCC1 P50045 [0,0,0,1,0,0|0,0,3]=4 270 B7R1.18 O=[N+]([O-])C1CNC1 P48807 [0,0,0,1,0,0|2,0,1]=4 271 B7R1.18 O=[N+]([O-])C1CNC1 P50044 [0,0,0,1,0,0|2,0,1]=4 272 B7R1.18 O=[N+]([O-])C1COC1 L14619 [0,0,0,1,0,0|2,0,1]=4 273 B7R1.18 OB(O)C1CCC1 P45097 [0,0,0,1,0,0|1,0,1]=3 274 B7R1.20 CC(O)CC1CC1 O29763 [0,0,0,1,0,0|1,0,1]=3 275 B7R1.20 O=C(Cl)CC1CC1 Q54347 [0,0,0,1,0,0|1,0,0]=2 276 B7R1.20 O=C(O)CC1CC1 F-4292 [0,0,0,1,0,0|0,0,0]=1 277 B7R1.20 O=C(O)CC1CO1 P45743 [0,0,0,1,0,0|1,0,0]=2 278 B4R0.1 CC(=O)CN P45193 [2,0,0,0,0,0|2,0,0]=4 279 B4R0.2 C=CCCN L22153 [2,0,0,0,0,0|1,0,1]=4 280 B4R0.2 CCCNN O30752 [2,0,0,0,0,0|2,0,0]=4 281 B4R0.2 CNCCBr O34465 [2,0,0,0,0,0|2,0,0]=4 282 B4R0.2 COCC=O F-4461 [2,0,0,0,0,0|1,0,0]=3 283 B4R0.2 COCCI O28025 [2,0,0,0,0,0|2,0,0]=4 284 B4R0.2 CSCCBr O31085 [2,0,0,0,0,0|2,0,0]=4 285 B4R0.2 CSCCN P36563 [2,0,0,0,0,0|2,0,0]=4 286 B4R0.2 NCCCS A-986 [2,0,0,0,0,0|1,1,0]=4 287 B4R0.2 NCCCS M15465 [2,0,0,0,0,0|1,1,0]=4 288 B6R0.1 C#CC(O)CCC P42817 [1,1,0,0,0,0|1,0,1]=4 289 B6R0.1 CCC[C@@H](N)CO P35977 [1,1,0,0,0,0|1,0,1]=4 290 B6R0.1 CCC[C@H](N)CO P39535 [1,1,0,0,0,0|1,0,1]=4 291 B6R0.1 CCNC(=O)CN P39222 [1,1,0,0,0,0|2,0,0]=4 292 B6R0.1 CCNC(=O)CO O31312 [1,1,0,0,0,0|1,0,0]=3 293 B6R0.1 CCNC(=O)NC M15284 [1,1,0,0,0,0|2,0,0]=4 294 B6R0.1 CNC(=O)CCCl P38167 [1,1,0,0,0,0|2,0,0]=4 295 B6R0.1 CNC(=O)CCN P37692 [1,1,0,0,0,0|2,0,0]=4 296 B6R0.1 CNCC(=O)NC P37691 [1,1,0,0,0,0|2,0,0]=4 297 B6R0.1 CNCC(=O)NC P38046 [1,1,0,0,0,0|2,0,0]=4 298 B6R0.2 CC(=O)NC(C)C P50955 [1,1,0,0,0,0|2,0,0]=4 299 B6R0.2 CC(C)C[C@@H](C)O Q70085 [1,1,0,0,0,0|1,0,1]=4 300 B6R0.2 CC(O)CC(=O)O P38963 [1,1,0,0,0,0|0,0,0]=2 301 B6R0.2 CN(C)CC(N)=O P36935 [1,1,0,0,0,0|2,0,0]=4 302 B6R0.2 C[C@@H](N)CC(=O)O P38442 [1,1,0,0,0,0|0,0,0]=2 303 B6R0.2 C[C@@H](N)CC(=O)O Q68956 [1,1,0,0,0,0|0,0,0]=2 304 B6R0.2 C[C@@H](O)CC(=O)O P36990 [1,1,0,0,0,0|0,0,0]=2 305 B6R0.2 C[C@H](N)CC(=O)O P38443 [1,1,0,0,0,0|0,0,0]=2 306 B6R0.2 C[C@H](O)CC(=O)O P37046 [1,1,0,0,0,0|0,0,0]=2 307 B6R0.3 C=C[C@@H](C)C(=O)O H-8974 [1,1,0,0,0,0|0,0,2]=4 308 B6R0.3 C=C[C@H](C)C(=O)O H-8989 [1,1,0,0,0,0|0,0,2]=4 309 B6R0.3 CCC(N)C(C)O L20519 [1,1,0,0,0,0|1,0,1]=4 310 B6R0.3 CCC(N)C(N)=O P35312 [1,1,0,0,0,0|1,0,0]=3 311 B6R0.3 CC[C@@H](Br)C(=O)O P45858 [1,1,0,0,0,0|0,0,0]=2 312 B6R0.3 CC[C@@H](O)C(=O)O P40022 [1,1,0,0,0,0|0,0,0]=2 313 B6R0.3 CC[C@H](Br)C(=O)O P45751 [1,1,0,0,0,0|0,0,0]=2 314 B6R0.3 CC[C@H](O)C(=O)O P38746 [1,1,0,0,0,0|0,0,0]=2 315 B6R0.3 CNC(C)C(N)=O P41317 [1,1,0,0,0,0|2,0,0]=4 316 B6R0.3 CO[C@@H](C)C(=O)O I-9183 [1,1,0,0,0,0|1,0,0]=3 317 B6R0.3 C[C@@H](CN)C(=O)O Q69056 [1,1,0,0,0,0|1,0,0]=3 318 B6R0.3 C[C@@H](CN)C(=O)O Q69059 [1,1,0,0,0,0|1,0,0]=3 319 B6R0.3 C[C@H](CN)C(=O)O Q69061 [1,1,0,0,0,0|1,0,0]=3 320 B6R0.3 C[C@H](CN)C(=O)O Q69064 [1,1,0,0,0,0|1,0,0]=3 321 B6R0.3 C[C@H](CO)C(=O)O 10021 [1,1,0,0,0,0|1,0,0]=3 322 B6R0.3 C\C=C(/F)C(=O)O F-4310 [1,1,0,0,0,0|0,0,2]=4 323 B6R0.3 NCC(N)C(=O)O P37494 [1,1,0,0,0,0|1,0,0]=3 324 B6R0.3 NCC(O)C(=O)O O28965 [1,1,0,0,0,0|1,0,0]=3 325 B6R0.3 NC[C@@H](O)C(=O)O 10685 [1,1,0,0,0,0|1,0,0]=3 326 B6R0.3 NC[C@H](N)C(=O)O P40075 [1,1,0,0,0,0|1,0,0]=3 327 B6R0.5 CCCS(N)(=O)=O O34092 [1,1,0,0,0,0|1,0,1]=4 328 B6R0.6 C#CCCCCI P39398 [1,1,0,0,0,0|1,0,1]=4 329 B6R0.6 C#CCCCCN O31570 [1,1,0,0,0,0|1,0,1]=4 330 B6R0.6 C#CCCCNC L19187 [1,1,0,0,0,0|1,0,1]=4 331 B6R0.6 CNCCCCN L19491 [1,1,0,0,0,0|1,0,1]=4 332 B6R0.6 CNCCCOC P37437 [1,1,0,0,0,0|1,0,1]=4 333 B6R0.6 COCCCCN O29739 [1,1,0,0,0,0|1,0,1]=4 334 B6R0.6 OCCOCCBr P37296 [1,1,0,0,0,0|1,0,1]=4 335 B6R0.6 OCCOCCI P41754 [1,1,0,0,0,0|1,0,1]=4 336 B8R0.2 CC[C@@H](C)[C@@H](N)C(=O)O O28696 [0,2,0,0,0,0|0,0,0]=2 337 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O O28455 [0,2,0,0,0,0|0,0,0]=2 338 B8R0.5 C=CC[C@@H](N)CC(=O)O Q69101 [0,2,0,0,0,0|0,0,1]=3 339 B8R0.5 CCCC(=O)CC(C)=O O29704 [0,2,0,0,0,0|1,0,0]=3 340 B8R0.5 COCC(O)CC(=O)O F-4460 [0,2,0,0,0,0|0,0,0]=2 341 B8R0.16 CCN(CC)CC(=O)O P40850 [0,2,0,0,0,0|1,0,0]=3 342 B8R0.23 C=C(C)CC(N)C(=O)O P39089 [0,2,0,0,0,0|0,0,1]=3 343 B8R0.23 C=C(C)C[C@@H](N)C(=O)O O28738 [0,2,0,0,0,0|0,0,1]=3 344 B8R0.23 C=C(C)C[C@H](N)C(=O)O O28733 [0,2,0,0,0,0|0,0,1]=3 345 B8R0.23 CC(=O)N(C)CC(=O)O P37214 [0,2,0,0,0,0|1,0,1]=4 346 B8R0.23 CC(C)C(N)CC(=O)O M22680 [0,2,0,0,0,0|0,0,0]=2 347 B8R0.23 CC(C)C[C@@H](O)C(=O)O P39959 [0,2,0,0,0,0|0,0,0]=2 348 B8R0.23 CC(C)N(C)CC(=O)O P42706 [0,2,0,0,0,0|1,0,0]=3 349 B8R0.23 CC(C)[C@@H](N)CC(=O)O P38250 [0,2,0,0,0,0|0,0,0]=2 350 B8R0.23 CC(C)[C@@H](N)CC(=O)O Q68993 [0,2,0,0,0,0|0,0,0]=2 351 B8R0.23 CC(C)[C@H](N)CC(=O)O P36212 [0,2,0,0,0,0|0,0,0]=2 352 B8R0.23 CC(C)[C@H](N)CC(=O)O Q68999 [0,2,0,0,0,0|0,0,0]=2 353 B8R0.23 CC(C)\C=C(/F)C(=O)O F-4311 [0,2,0,0,0,0|0,0,2]=4 354 B8R0.23 CN(C)C[C@H](N)C(=O)O P43074 [0,2,0,0,0,0|1,0,0]=3 355 B8R0.23 C[C@@H](CC(=O)O)C(=O)O P39685 [0,2,0,0,0,0|1,0,1]=4 356 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O Q68990 [0,2,0,0,0,0|0,0,0]=2 357 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O Q68992 [0,2,0,0,0,0|0,0,0]=2 358 B8R0.34 COC(C)(C)CC(=O)O O32626 [0,2,0,0,0,0|1,0,0]=3 359 B8R0.1 CCC#CC(=O)OCC Q56870 [0,2,0,0,0,0|0,0,2]=4 360 B8R0.1 CCCCN(C)CCO Q66068 [0,2,0,0,0,0|2,0,0]=4 361 B8R0.1 CCCNC(=O)CCN P42190 [0,2,0,0,0,0|2,0,0]=4 362 B8R0.1 CCCNC(=O)CNC P35278 [0,2,0,0,0,0|2,0,0]=4 363 B8R0.1 CCCNC(=O)CNC P42832 [0,2,0,0,0,0|2,0,0]=4 364 B8R0.3 C#CC[C@@H](N)C(=O)OC Q65834 [0,2,0,0,0,0|0,0,2]=4 365 B8R0.3 C#CC[C@H](N)C(=O)OC P40730 [0,2,0,0,0,0|0,0,2]=4 366 B8R0.3 CCCC(N)C(=O)OC P43113 [0,2,0,0,0,0|0,0,0]=2 367 B8R0.6 CNCCCC(=O)OC H-8710 [0,2,0,0,0,0|0,0,0]=2 368 B8R0.6 COC(=O)CCCCN P38983 [0,2,0,0,0,0|0,0,0]=2 369 B8R0.8 C#CCCC(N)C(=O)O P39732 [0,2,0,0,0,0|0,0,1]=3 370 B8R0.8 C#CCOC(C)C(=O)O O29907 [0,2,0,0,0,0|0,0,2]=4 371 B8R0.8 C=CCCC(N)C(=O)O P40793 [0,2,0,0,0,0|0,0,1]=3 372 B8R0.8 C=CCCC(N)C(N)=O Q65911 [0,2,0,0,0,0|1,0,1]=4 373 B8R0.8 C=CCC[C@@H](N)C(=O)O P42941 [0,2,0,0,0,0|0,0,1]=3 374 B8R0.8 C=CCC[C@H](N)C(=O)O P35206 [0,2,0,0,0,0|0,0,1]=3 375 B8R0.8 CC#CC[C@@H](N)C(=O)O Q65835 [0,2,0,0,0,0|0,0,1]=3 376 B8R0.8 CC#CC[C@H](N)C(=O)O Q65833 [0,2,0,0,0,0|0,0,1]=3 377 B8R0.8 CC(=O)N(C)CCCN P35843 [0,2,0,0,0,0|2,0,0]=4 378 B8R0.8 CNCCC(=O)N(C)C P40566 [0,2,0,0,0,0|2,0,0]=4 379 B8R0.8 C[Se]CC[C@H](N)C(=O)O P38844 [0,2,0,0,0,0|0,0,0]=2 380 B8R0.8 N[C@H](CCCO)C(=O)O P37057 [0,2,0,0,0,0|0,0,0]=2 381 B8R0.8 [N-]=[N+]=NC[C@@H](N)C(=O)O M22741 [0,2,0,0,0,0|2,0,0]=4 382 B8R0.8 [N-]=[N+]=NC[C@H](N)C(=O)O P40814 [0,2,0,0,0,0|2,0,0]=4 383 B8R0.9 C=CC(N)CCC(=O)O M15322 [0,2,0,0,0,0|0,0,1]=3 384 B8R0.9 CC(C)CNC(=O)CCl P38819 [0,2,0,0,0,0|2,0,0]=4 385 B8R0.9 CCC(C)OCC(=O)O P34749 [0,2,0,0,0,0|0,0,0]=2 386 B8R0.9 COC(=O)CNC(C)=O P42621 [0,2,0,0,0,0|1,0,1]=4 387 B8R0.9 NCC(=O)CCC(=O)O P37517 [0,2,0,0,0,0|0,0,1]=3 388 B8R0.7 C#CCCCCC(=O)O P38906 [0,2,0,0,0,0|0,0,0]=2 389 B8R0.7 C#CCOCCC(=O)O O29692 [0,2,0,0,0,0|0,0,1]=3 390 B8R0.7 CNCCCCC(=O)O P35932 [0,2,0,0,0,0|0,0,0]=2 391 B8R0.7 CNCCCNC(C)=O P37409 [0,2,0,0,0,0|1,0,0]=3 392 B8R0.7 NCCCCNC(N)=O L20055 [0,2,0,0,0,0|1,0,0]=3 393 B8R0.7 NCCOCCC(=O)O P41214 [0,2,0,0,0,0|0,0,0]=2 394 B8R0.7 [N-]=[N+]=NCCCC(=O)O 10015 [0,2,0,0,0,0|1,0,0]=3 395 B8R0.21 CCCCCS(N)(=O)=O P44483 [0,2,0,0,0,0|1,0,1]=4 396 B8R0.21 CCCCNP(N)(N)=O O29921 [0,2,0,0,0,0|2,0,0]=4 397 B8R0.28 CC(=O)\C=C\CC(C)C O31440 [0,2,0,0,0,0|1,0,1]=4 398 B8R0.28 CC(C)CNCC(=O)O P38861 [0,2,0,0,0,0|0,0,0]=2 399 B8R0.28 CN(C)C\C=C\C(=O)O K12319 [0,2,0,0,0,0|0,0,2]=4 400 B8R0.12 COCC(F)(F)C(=O)O F-4245 [0,2,0,0,0,0|1,0,0]=3 401 B8R0.15 C=CCC(CC)C(=O)O Q69583 [0,2,0,0,0,0|0,0,2]=4 402 B8R0.15 CCC[C@@H](NC)C(=O)O P36548 [0,2,0,0,0,0|0,0,0]=2 403 B8R0.15 CCC[C@H](NC)C(=O)O P40204 [0,2,0,0,0,0|0,0,0]=2 404 B8R0.29 CC(=O)CCC(F)(F)F F-4856 [0,2,0,0,0,0|2,0,0]=4 405 B8R0.29 CC(C)(C)NCC(=O)O P37230 [0,2,0,0,0,0|1,0,0]=3 406 B8R0.29 CC(C)(C)OCC(=O)O P41693 [0,2,0,0,0,0|1,0,0]=3 407 B8R0.29 CS(=O)(=O)NCC(=O)O P38570 [0,2,0,0,0,0|2,0,0]=4 408 B6R1.2 O=C1CCNC1 C-2247 [1,0,0,1,0,0|2,0,0]=4 409 B6R1.2 O=C1CCNC1 S72535 [1,0,0,1,0,0|2,0,0]=4 410 B6R1.2 O=C1CCOC1 B-1767 [1,0,0,1,0,0|2,0,0]=4 411 B6R1.2 O=C1CCSC1 G-7753 [1,0,0,1,0,0|2,0,0]=4 412 B6R1.2 S=C1NCCO1 O31137 [1,0,0,1,0,0|1,1,0]=4 413 B6R1.5 CC1CC(=O)C1 L18001 [1,0,0,1,0,0|1,0,0]=3 414 B6R1.5 CC1CC(O)C1 P44316 [1,0,0,1,0,0|1,0,1]=4 415 B6R1.5 CN1CC(=O)C1 L18430 [1,0,0,1,0,0|2,0,0]=4 416 B6R1.5 CN1CC(=O)C1 P49738 [1,0,0,1,0,0|2,0,0]=4 417 B6R1.5 C[C@H]1C[C@@H](O)C1 P46931 [1,0,0,1,0,0|1,0,1]=4 418 B6R1.5 C[C@H]1C[C@H](O)C1 P47360 [1,0,0,1,0,0|1,0,1]=4 419 B6R1.5 NC1CC(=O)C1 C-3677 [1,0,0,1,0,0|2,0,0]=4 420 B6R1.5 NC1CC(=O)C1 P44186 [1,0,0,1,0,0|2,0,0]=4 421 B6R1.5 O=C1CC(Br)C1 G-6311 [1,0,0,1,0,0|2,0,0]=4 422 B6R1.5 O=C1CC(F)C1 H-8760 [1,0,0,1,0,0|2,0,0]=4 423 B6R1.5 O=C1CC(O)C1 F-4733 [1,0,0,1,0,0|2,0,0]=4 424 B6R1.10 CC1(O)CCC1 P39996 [1,0,0,1,0,0|1,0,1]=4 425 B6R1.11 C[C@H](O)C1CC1 K13410 [1,0,0,1,0,0|1,0,1]=4 426 B6R1.1 C1=CCNCC1 C-2421 [1,0,0,1,0,0|2,0,0]=4 427 B6R1.1 C1=CCOCC1 G-7030 [1,0,0,1,0,0|2,0,0]=4 428 B6R1.4 CC1CCC1=O P47956 [1,0,0,1,0,0|0,0,0]=2 429 B6R1.4 CC1CCC1N P44937 [1,0,0,1,0,0|1,0,1]=4 430 B6R1.4 CC1CCC1N P47065 [1,0,0,1,0,0|1,0,1]=4 431 B6R1.4 CC1CCC1O L20058 [1,0,0,1,0,0|0,0,1]=3 432 B6R1.4 CC1NCC1O P44849 [1,0,0,1,0,0|1,0,1]=4 433 B6R1.4 CC1NCC1O P44851 [1,0,0,1,0,0|1,0,1]=4 434 B6R1.4 CC1OCC1=O L18036 [1,0,0,1,0,0|1,0,0]=3 435 B6R1.4 CC1OCC1O L18037 [1,0,0,1,0,0|1,0,1]=4 436 B6R1.4 C[C@@H]1NCC1O P47321 [1,0,0,1,0,0|1,0,1]=4 437 B6R1.4 C[C@@H]1NC[C@@H]1O P46638 [1,0,0,1,0,0|1,0,1]=4 438 B6R1.4 C[C@@H]1NC[C@@H]1O P48644 [1,0,0,1,0,0|1,0,1]=4 439 B6R1.4 C[C@@H]1NC[C@@H]1O P48652 [1,0,0,1,0,0|1,0,1]=4 440 B6R1.4 C[C@@H]1NC[C@@H]1O P50879 [1,0,0,1,0,0|1,0,1]=4 441 B6R1.4 C[C@@H]1NC[C@H]1O P46945 [1,0,0,1,0,0|1,0,1]=4 442 B6R1.4 C[C@@H]1NC[C@H]1O P48643 [1,0,0,1,0,0|1,0,1]=4 443 B6R1.4 C[C@@H]1NC[C@H]1O P48651 [1,0,0,1,0,0|1,0,1]=4 444 B6R1.4 C[C@@H]1OC[C@H]1O Q56119 [1,0,0,1,0,0|1,0,1]=4 445 B6R1.4 C[C@H]1NCC1O P50087 [1,0,0,1,0,0|1,0,1]=4 446 B6R1.4 C[C@H]1NC[C@@H]1O P50080 [1,0,0,1,0,0|1,0,1]=4 447 B6R1.4 C[C@H]1NC[C@H]1O P50082 [1,0,0,1,0,0|1,0,1]=4 448 B6R1.4 C[C@H]1NC[C@H]1O P50119 [1,0,0,1,0,0|1,0,1]=4 449 B6R1.4 C[C@H]1OC[C@H]1O Q56118 [1,0,0,1,0,0|1,0,1]=4 450 B6R1.4 NC1CCC1O P45290 [1,0,0,1,0,0|1,0,1]=4 451 B6R1.4 NC1CCC1O P48134 [1,0,0,1,0,0|1,0,1]=4 452 B6R1.4 NN1CCC1=O P48248 [1,0,0,1,0,0|2,0,0]=4 453 B6R1.4 N[C@@H]1CC[C@@H]1O P43811 [1,0,0,1,0,0|1,0,1]=4 454 B6R1.4 N[C@@H]1CC[C@@H]1O P45279 [1,0,0,1,0,0|1,0,1]=4 455 B6R1.4 N[C@@H]1CC[C@@H]1O P45323 [1,0,0,1,0,0|1,0,1]=4 456 B6R1.4 N[C@@H]1CC[C@H]1O P45283 [1,0,0,1,0,0|1,0,1]=4 457 B6R1.4 N[C@@H]1CC[C@H]1O P46699 [1,0,0,1,0,0|1,0,1]=4 458 B6R1.4 N[C@@H]1CC[C@H]1O P46700 [1,0,0,1,0,0|1,0,1]=4 459 B6R1.4 N[C@@H]1CC[C@H]1O P47798 [1,0,0,1,0,0|1,0,1]=4 460 B6R1.4 N[C@@H]1CNC1=O P44692 [1,0,0,1,0,0|2,0,0]=4 461 B6R1.4 N[C@@H]1CNC1=O P50494 [1,0,0,1,0,0|2,0,0]=4 462 B6R1.4 N[C@H]1CC[C@@H]1O O33030 [1,0,0,1,0,0|1,0,1]=4 463 B6R1.4 N[C@H]1CC[C@@H]1O P46969 [1,0,0,1,0,0|1,0,1]=4 464 B6R1.4 N[C@H]1CC[C@H]1O P45237 [1,0,0,1,0,0|1,0,1]=4 465 B6R1.4 N[C@H]1CC[C@H]1O P46397 [1,0,0,1,0,0|1,0,1]=4 466 B6R1.4 N[C@H]1CNC1=O P44185 [1,0,0,1,0,0|2,0,0]=4 467 B6R1.4 N[C@H]1CNC1=O Q52584 [1,0,0,1,0,0|2,0,0]=4 468 B6R1.4 O=C1CCC1Br P49445 [1,0,0,1,0,0|1,0,0]=3 469 B6R1.4 O=C1CCC1O P47312 [1,0,0,1,0,0|1,0,0]=3 470 B6R1.4 O=C1NCC1O P45440 [1,0,0,1,0,0|2,0,0]=4 471 B6R1.4 OC1CCC1F P46352 [1,0,0,1,0,0|1,0,1]=4 472 B6R1.4 OC1CCC1O P50009 [1,0,0,1,0,0|1,0,1]=4 473 B6R1.4 O[C@@H]1CC[C@H]1O P45708 [1,0,0,1,0,0|1,0,1]=4 474 B6R1.4 O[C@H]1CC[C@H]1O P45709 [1,0,0,1,0,0|1,0,1]=4 475 B6R1.6 BrCC1CCO1 F-4066 [1,0,0,1,0,0|1,0,1]=4 476 B6R1.6 C#CC1CCC1 P45543 [1,0,0,1,0,0|1,0,1]=4 477 B6R1.6 CCC1CCN1 P47056 [1,0,0,1,0,0|1,0,1]=4 478 B6R1.6 CCC1CCN1 P48764 [1,0,0,1,0,0|1,0,1]=4 479 B6R1.6 CCC1CNC1 P45196 [1,0,0,1,0,0|2,0,0]=4 480 B6R1.6 CCC1CNC1 P47098 [1,0,0,1,0,0|2,0,0]=4 481 B6R1.6 CNC1CCC1 O34360 [1,0,0,1,0,0|2,0,0]=4 482 B6R1.6 CNC1CCC1 P45733 [1,0,0,1,0,0|2,0,0]=4 483 B6R1.6 ClCC1CCC1 M23070 [1,0,0,1,0,0|1,0,1]=4 484 B6R1.6 ICC1CCC1 H-8778 [1,0,0,1,0,0|1,0,1]=4 485 B6R1.6 ICC1CCO1 G-7249 [1,0,0,1,0,0|1,0,1]=4 486 B6R1.6 N#CC1CCC1 G-7033 [1,0,0,1,0,0|1,0,1]=4 487 B6R1.6 NCC1CCC1 C-2308 [1,0,0,1,0,0|1,0,1]=4 488 B6R1.6 NCC1CCC1 L13986 [1,0,0,1,0,0|1,0,1]=4 489 B6R1.6 NCC1CCO1 F-4044 [1,0,0,1,0,0|1,0,1]=4 490 B6R1.6 NC[C@@H]1CCO1 Q56226 [1,0,0,1,0,0|1,0,1]=4 491 B6R1.6 NC[C@H]1CCO1 Q64388 [1,0,0,1,0,0|1,0,1]=4 492 B6R1.6 NNC1CCC1 O30528 [1,0,0,1,0,0|2,0,0]=4 493 B6R1.6 NNC1CCC1 O31125 [1,0,0,1,0,0|2,0,0]=4 494 B6R1.6 NNC1CCC1 P44553 [1,0,0,1,0,0|2,0,0]=4 495 B6R1.6 O=CC1COC1 L21547 [1,0,0,1,0,0|1,0,0]=3 496 B6R1.6 OCC1CCN1 G-7151 [1,0,0,1,0,0|1,0,1]=4 497 B6R1.6 OCC1CCO1 F-4043 [1,0,0,1,0,0|1,0,1]=4 498 B6R1.6 OCC1CNC1 A-421 [1,0,0,1,0,0|1,0,1]=4 499 B6R1.6 OCC1CNC1 L14018 [1,0,0,1,0,0|1,0,1]=4 500 B6R1.6 OCC1COC1 C-2291 [1,0,0,1,0,0|1,0,1]=4 501 B6R1.6 OCC1CSC1 H-8021 [1,0,0,1,0,0|1,0,1]=4 502 B6R1.6 OC[C@@H]1CCN1 B-1106 [1,0,0,1,0,0|1,0,1]=4 503 B6R1.6 OC[C@@H]1CCN1 P36030 [1,0,0,1,0,0|1,0,1]=4 504 B6R1.6 OC[C@@H]1CCO1 Q56225 [1,0,0,1,0,0|1,0,1]=4 505 B6R1.6 OC[C@H]1CCN1 B-1105 [1,0,0,1,0,0|1,0,1]=4 506 B6R1.6 OC[C@H]1CCN1 P35007 [1,0,0,1,0,0|1,0,1]=4 507 B6R1.6 OC[C@H]1CCO1 Q53294 [1,0,0,1,0,0|1,0,1]=4 508 B6R1.6 ON=C1CCC1 P45801 [1,0,0,1,0,0|1,0,1]=4 509 B8R1.1 C=CC1CCC(=O)C1 Q57034 [0,1,0,1,0,0|1,0,1]=4 510 B8R1.1 C=CC1COC(=O)C1 F-4407 [0,1,0,1,0,0|0,0,2]=4 511 B8R1.1 CNC1CNC(=O)C1 L19088 [0,1,0,1,0,0|2,0,0]=4 512 B8R1.1 CN[C@H]1CNC(=O)C1 Q61671 [0,1,0,1,0,0|2,0,0]=4 513 B8R1.1 COC1CCC(O)C1 Q57014 [0,1,0,1,0,0|1,0,1]=4 514 B8R1.1 CO[C@@H]1CC[C@@H](O)C1 Q56989 [0,1,0,1,0,0|1,0,1]=4 515 B8R1.1 CO[C@@H]1CC[C@H](O)C1 Q57013 [0,1,0,1,0,0|1,0,1]=4 516 B8R1.1 C[C@@H]1CC[C@H](CO)N1 Q59341 [0,1,0,1,0,0|1,0,1]=4 517 B8R1.1 N#C[C@@H]1CCC(=O)C1 Q55084 [0,1,0,1,0,0|1,0,1]=4 518 B8R1.1 N#C[C@H]1CCC(=O)C1 Q55085 [0,1,0,1,0,0|1,0,1]=4 519 B8R1.1 NCC1CNC(=O)C1 G-5016 [0,1,0,1,0,0|2,0,0]=4 520 B8R1.1 NCC1CNC(=O)C1 G-5352 [0,1,0,1,0,0|2,0,0]=4 521 B8R1.1 NCC1CNC(=O)O1 F-4726 [0,1,0,1,0,0|1,0,0]=3 522 B8R1.1 NCC1CNC(=O)O1 L13152 [0,1,0,1,0,0|1,0,0]=3 523 B8R1.1 NCC1COC(=O)N1 L13942 [0,1,0,1,0,0|2,0,0]=4 524 B8R1.1 NC[C@@H]1CCC(=O)N1 10036 [0,1,0,1,0,0|1,0,0]=3 525 B8R1.1 NC[C@@H]1CCC(=O)N1 O33611 [0,1,0,1,0,0|1,0,0]=3 526 B8R1.1 NC[C@@H]1CC[C@@H](O)C1 Q57119 [0,1,0,1,0,0|1,0,1]=4 527 B8R1.1 NC[C@@H]1CC[C@H](O)C1 Q57118 [0,1,0,1,0,0|1,0,1]=4 528 B8R1.1 NC[C@@H]1CNC(=O)C1 I-9821 [0,1,0,1,0,0|2,0,0]=4 529 B8R1.1 NC[C@@H]1CNC(=O)C1 L13273 [0,1,0,1,0,0|2,0,0]=4 530 B8R1.1 NC[C@@H]1CNC(=O)O1 L13195 [0,1,0,1,0,0|1,0,0]=3 531 B8R1.1 NC[C@H]1CCC(=O)N1 10096 [0,1,0,1,0,0|1,0,0]=3 532 B8R1.1 NC[C@H]1CC[C@@H](O)C1 Q57121 [0,1,0,1,0,0|1,0,1]=4 533 B8R1.1 NC[C@H]1CC[C@H](O)C1 Q57120 [0,1,0,1,0,0|1,0,1]=4 534 B8R1.1 NC[C@H]1CNC(=O)C1 I-9497 [0,1,0,1,0,0|2,0,0]=4 535 B8R1.1 NC[C@H]1CNC(=O)C1 L13364 [0,1,0,1,0,0|2,0,0]=4 536 B8R1.1 NC[C@H]1CNC(=O)O1 L22235 [0,1,0,1,0,0|1,0,0]=3 537 B8R1.1 O=C1CC(CO)CN1 M22864 [0,1,0,1,0,0|2,0,0]=4 538 B8R1.1 O=C1CC(CO)CO1 H-8701 [0,1,0,1,0,0|1,0,0]=3 539 B8R1.1 O=C1CCC(CO)C1 Q62791 [0,1,0,1,0,0|1,0,0]=3 540 B8R1.1 O=C1CCC(CO)N1 M23573 [0,1,0,1,0,0|1,0,0]=3 541 B8R1.1 O=C1CC[C@@H](CBr)C1 Q64130 [0,1,0,1,0,0|1,0,0]=3 542 B8R1.1 O=C1CC[C@@H](CBr)N1 P36413 [0,1,0,1,0,0|1,0,0]=3 543 B8R1.1 O=C1CC[C@@H](CF)N1 Q59250 [0,1,0,1,0,0|1,0,0]=3 544 B8R1.1 O=C1CC[C@@H](CO)C1 Q62794 [0,1,0,1,0,0|1,0,0]=3 545 B8R1.1 O=C1CC[C@@H](CO)O1 K12361 [0,1,0,1,0,0|0,0,0]=2 546 B8R1.1 O=C1CC[C@H](CBr)C1 Q64129 [0,1,0,1,0,0|1,0,0]=3 547 B8R1.1 O=C1CC[C@H](CBr)N1 P34760 [0,1,0,1,0,0|1,0,0]=3 548 B8R1.1 O=C1CC[C@H](CO)C1 Q62792 [0,1,0,1,0,0|1,0,0]=3 549 B8R1.1 O=C1NCC(CO)O1 F-4693 [0,1,0,1,0,0|1,0,0]=3 550 B8R1.1 O=C1NC[C@@H](CO)O1 L13350 [0,1,0,1,0,0|1,0,0]=3 551 B8R1.1 O=C1N[C@@H](CI)CO1 10034 [0,1,0,1,0,0|2,0,0]=4 552 B8R1.1 O=C1N[C@@H](CO)CO1 10001 [0,1,0,1,0,0|2,0,0]=4 553 B8R1.1 O=C1N[C@@H](CO)CS1 K13391 [0,1,0,1,0,0|2,0,0]=4 554 B8R1.1 O=C1N[C@H](CO)CO1 10026 [0,1,0,1,0,0|2,0,0]=4 555 B8R1.1 O=C1N[C@H](CO)CS1 K13390 [0,1,0,1,0,0|2,0,0]=4 556 B8R1.4 C=C1CCOC(C)C1 Q54980 [0,1,0,1,0,0|2,0,0]=4 557 B8R1.4 CC1=CCCC(=O)C1 O32064 [0,1,0,1,0,0|1,0,1]=4 558 B8R1.4 CC1CC(=O)CCN1 D-2514 [0,1,0,1,0,0|1,0,0]=3 559 B8R1.4 CC1CC(=O)CCO1 A-836 [0,1,0,1,0,0|1,0,0]=3 560 B8R1.4 CC1CC(Br)CCO1 Q57805 [0,1,0,1,0,0|1,0,1]=4 561 B8R1.4 CC1CC(N)CCO1 A-878 [0,1,0,1,0,0|1,0,1]=4 562 B8R1.4 CC1CC(O)CCN1 G-7300 [0,1,0,1,0,0|1,0,1]=4 563 B8R1.4 CC1CC(O)CCN1 L21311 [0,1,0,1,0,0|1,0,1]=4 564 B8R1.4 CC1CC(O)CCO1 A-877 [0,1,0,1,0,0|1,0,1]=4 565 B8R1.4 CC1CCNC(=O)C1 L13355 [0,1,0,1,0,0|1,0,0]=3 566 B8R1.4 CN1CCCC(O)C1 C-3297 [0,1,0,1,0,0|1,0,1]=4 567 B8R1.4 CN1CCC[C@@H](O)C1 G-5242 [0,1,0,1,0,0|1,0,1]=4 568 B8R1.4 CN1CCC[C@H](O)C1 G-5243 [0,1,0,1,0,0|1,0,1]=4 569 B8R1.4 CN1CCOC(=O)C1 Q54674 [0,1,0,1,0,0|1,0,0]=3 570 B8R1.4 C[C@@H]1CC(=O)CCN1 G-7641 [0,1,0,1,0,0|1,0,0]=3 571 B8R1.4 C[C@@H]1CC(=O)CCO1 H-8404 [0,1,0,1,0,0|1,0,0]=3 572 B8R1.4 C[C@@H]1CCC[C@@H](O)C1 P45249 [0,1,0,1,0,0|1,0,1]=4 573 B8R1.4 C[C@@H]1CCC[C@@H](O)C1 P45891 [0,1,0,1,0,0|1,0,1]=4 574 B8R1.4 C[C@@H]1CCC[C@H](O)C1 P45486 [0,1,0,1,0,0|1,0,1]=4 575 B8R1.4 C[C@@H]1CCC[C@H](O)C1 P45892 [0,1,0,1,0,0|1,0,1]=4 576 B8R1.4 C[C@@H]1CNCC(=O)N1 L13903 [0,1,0,1,0,0|1,0,0]=3 577 B8R1.4 C[C@@H]1C[C@H](N)CCO1 Q61448 [0,1,0,1,0,0|1,0,1]=4 578 B8R1.4 C[C@@H]1C[C@H](O)CCN1 G-6431 [0,1,0,1,0,0|1,0,1]=4 579 B8R1.4 C[C@@H]1C[C@H](O)CCN1 Q56468 [0,1,0,1,0,0|1,0,1]=4 580 B8R1.4 C[C@H]1CC(=O)CCN1 G-6964 [0,1,0,1,0,0|1,0,0]=3 581 B8R1.4 C[C@H]1CC(=O)CCN1 G-7640 [0,1,0,1,0,0|1,0,0]=3 582 B8R1.4 C[C@H]1CC(=O)CCN1 Q61425 [0,1,0,1,0,0|1,0,0]=3 583 B8R1.4 C[C@H]1CC(=O)CCO1 A-837 [0,1,0,1,0,0|1,0,0]=3 584 B8R1.4 C[C@H]1CCC[C@@H](O)C1 P45893 [0,1,0,1,0,0|1,0,1]=4 585 B8R1.4 C[C@H]1CCC[C@H](O)C1 P45546 [0,1,0,1,0,0|1,0,1]=4 586 B8R1.4 C[C@H]1CNCC(=O)N1 G-7098 [0,1,0,1,0,0|1,0,0]=3 587 B8R1.4 C[C@H]1CNCC(=O)N1 H-8010 [0,1,0,1,0,0|1,0,0]=3 588 B8R1.4 C[C@H]1CNC[C@H](C)O1 G-6092 [0,1,0,1,0,0|1,0,1]=4 589 B8R1.4 C[C@H]1CNC[C@H](C)O1 H-8075 [0,1,0,1,0,0|1,0,1]=4 590 B8R1.4 C[C@H]1C[C@@H](O)CCN1 G-6430 [0,1,0,1,0,0|1,0,1]=4 591 B8R1.4 C[C@H]1C[C@@H](O)CCN1 Q56467 [0,1,0,1,0,0|1,0,1]=4 592 B8R1.4 NC1CCCC(=O)C1 P48005 [0,1,0,1,0,0|1,0,0]=3 593 B8R1.4 NC1CCCC(O)C1 F-4485 [0,1,0,1,0,0|1,0,1]=4 594 B8R1.4 NC1CCCC(O)C1 P51354 [0,1,0,1,0,0|1,0,1]=4 595 B8R1.4 NC1CCNC(=O)C1 C-2485 [0,1,0,1,0,0|1,0,0]=3 596 B8R1.4 NC1COCC(=O)C1 P46448 [0,1,0,1,0,0|2,0,0]=4 597 B8R1.4 NC1COCC(=O)C1 Q61511 [0,1,0,1,0,0|2,0,0]=4 598 B8R1.4 N[C@@H]1CCC[C@@H](O)C1 L14375 [0,1,0,1,0,0|1,0,1]=4 599 B8R1.4 N[C@@H]1CCC[C@@H](O)C1 P45284 [0,1,0,1,0,0|1,0,1]=4 600 B8R1.4 N[C@@H]1CCC[C@@H](O)C1 P46977 [0,1,0,1,0,0|1,0,1]=4 601 B8R1.4 N[C@@H]1CCC[C@H](O)C1 P44060 [0,1,0,1,0,0|1,0,1]=4 602 B8R1.4 N[C@H]1CCC[C@@H](O)C1 K10840 [0,1,0,1,0,0|1,0,1]=4 603 B8R1.4 N[C@H]1CCC[C@@H](O)C1 P44061 [0,1,0,1,0,0|1,0,1]=4 604 B8R1.4 N[C@H]1CCC[C@@H](O)C1 P45304 [0,1,0,1,0,0|1,0,1]=4 605 B8R1.4 N[C@H]1CCC[C@H](O)C1 O33050 [0,1,0,1,0,0|1,0,1]=4 606 B8R1.4 N[C@H]1CCC[C@H](O)C1 P45649 [0,1,0,1,0,0|1,0,1]=4 607 B8R1.4 O=C1CC(F)CCN1 Q54422 [0,1,0,1,0,0|1,0,0]=3 608 B8R1.4 O=C1CCCC(=O)C1 P44675 [0,1,0,1,0,0|1,0,1]=4 609 B8R1.4 O=C1CCCC(Br)C1 P45384 [0,1,0,1,0,0|1,0,0]=3 610 B8R1.4 O=C1CCCC(F)C1 P43987 [0,1,0,1,0,0|1,0,0]=3 611 B8R1.4 O=C1CCCC(O)C1 L18346 [0,1,0,1,0,0|1,0,0]=3 612 B8R1.4 O=C1CCC[C@H](O)C1 P47405 [0,1,0,1,0,0|1,0,0]=3 613 B8R1.4 O=C1CCNC(=O)C1 B-1275 [0,1,0,1,0,0|1,0,1]=4 614 B8R1.4 O=C1CCOC(=O)C1 H-8796 [0,1,0,1,0,0|0,0,1]=3 615 B8R1.4 O=C1COCC(F)C1 Q54617 [0,1,0,1,0,0|2,0,0]=4 616 B8R1.4 O=C1COCC(O)C1 Q54616 [0,1,0,1,0,0|2,0,0]=4 617 B8R1.4 O=S1CCCC(Br)C1 Q57991 [0,1,0,1,0,0|2,0,0]=4 618 B8R1.20 CC1CC1CC(=O)O O29360 [0,1,0,1,0,0|0,0,0]=2 619 B8R1.31 CC(=O)[C@@H]1CC[C@H]1C P50610 [0,1,0,1,0,0|1,0,0]=3 620 B8R1.31 CC(=O)[C@H]1CC[C@H]1C P45662 [0,1,0,1,0,0|1,0,0]=3 621 B8R1.31 CC(O)C1CCC1F P45994 [0,1,0,1,0,0|1,0,1]=4 622 B8R1.31 CC1CCC1C(=O)O P45629 [0,1,0,1,0,0|0,0,0]=2 623 B8R1.31 CC1NCC1C(=O)O L22133 [0,1,0,1,0,0|0,0,0]=2 624 B8R1.31 CN1CCC1C(=O)O P49637 [0,1,0,1,0,0|0,0,0]=2 625 B8R1.31 CN1CC[C@@H]1C(=O)O H-8820 [0,1,0,1,0,0|0,0,0]=2 626 B8R1.31 CN1CC[C@H]1C(=O)O H-8821 [0,1,0,1,0,0|0,0,0]=2 627 B8R1.31 C[C@@H]1CN[C@@H]1C(=O)O L14485 [0,1,0,1,0,0|0,0,0]=2 628 B8R1.31 C[C@@H]1NC[C@H]1C(=O)O P50093 [0,1,0,1,0,0|0,0,0]=2 629 B8R1.31 C[C@H]1NC[C@@H]1C(=O)O K13449 [0,1,0,1,0,0|0,0,0]=2 630 B8R1.31 NC(=O)C1CCC1N F-4228 [0,1,0,1,0,0|1,0,0]=3 631 B8R1.31 NC1CCC1C(=O)O P47809 [0,1,0,1,0,0|0,0,0]=2 632 B8R1.31 NC1COC1C(=O)O Q56135 [0,1,0,1,0,0|1,0,0]=3 633 B8R1.31 N[C@@H]1CC[C@@H]1C(=O)O P45363 [0,1,0,1,0,0|0,0,0]=2 634 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O L13901 [0,1,0,1,0,0|0,0,0]=2 635 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O P44744 [0,1,0,1,0,0|0,0,0]=2 636 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O P45102 [0,1,0,1,0,0|0,0,0]=2 637 B8R1.31 N[C@@H]1CO[C@@H]1C(=O)O Q52861 [0,1,0,1,0,0|1,0,0]=3 638 B8R1.31 N[C@@H]1CO[C@H]1C(=O)O Q52863 [0,1,0,1,0,0|1,0,0]=3 639 B8R1.31 N[C@@H]1CO[C@H]1C(=O)O Q54778 [0,1,0,1,0,0|1,0,0]=3 640 B8R1.31 N[C@H]1CC[C@H]1C(=O)O L21391 [0,1,0,1,0,0|0,0,0]=2 641 B8R1.31 N[C@H]1CC[C@H]1C(=O)O P45103 [0,1,0,1,0,0|0,0,0]=2 642 B8R1.31 N[C@H]1CC[C@H]1C(=O)O Q53487 [0,1,0,1,0,0|0,0,0]=2 643 B8R1.31 N[C@H]1CO[C@@H]1C(=O)O Q52864 [0,1,0,1,0,0|1,0,0]=3 644 B8R1.31 N[C@H]1CO[C@H]1C(=O)O Q52862 [0,1,0,1,0,0|1,0,0]=3 645 B8R1.31 N[C@H]1CO[C@H]1C(=O)O Q54777 [0,1,0,1,0,0|1,0,0]=3 646 B8R1.31 O=C(O)C1CCC1F P47126 [0,1,0,1,0,0|0,0,0]=2 647 B8R1.31 O=C(O)C1CCC1O P49194 [0,1,0,1,0,0|0,0,0]=2 648 B8R1.31 O=C(O)C1CNC1=O P47917 [0,1,0,1,0,0|1,0,1]=4 649 B8R1.31 O=C(O)[C@@H]1CNC1=O P46680 [0,1,0,1,0,0|1,0,1]=4 650 B8R1.31 O=C(O)[C@H]1CC[C@@H]1O P48368 [0,1,0,1,0,0|0,0,0]=2 651 B8R1.31 O=C(O)[C@H]1CNC1=O P46158 [0,1,0,1,0,0|1,0,1]=4 652 B8R1.34 CC(=O)CC1CCC1 P48892 [0,1,0,1,0,0|1,0,0]=3 653 B8R1.34 CC(=O)NC1CNC1 G-5840 [0,1,0,1,0,0|2,0,0]=4 654 B8R1.34 CC(=O)NC1CNC1 P44173 [0,1,0,1,0,0|2,0,0]=4 655 B8R1.34 CC(=O)OC1CNC1 P42388 [0,1,0,1,0,0|2,0,0]=4 656 B8R1.34 CC(=O)SC1CNC1 C-3406 [0,1,0,1,0,0|2,0,0]=4 657 B8R1.34 CC(=O)SC1CNC1 P50614 [0,1,0,1,0,0|2,0,0]=4 658 B8R1.34 CC(O)CN1CCC1 P47869 [0,1,0,1,0,0|1,0,1]=4 659 B8R1.34 N=C(N)CC1CCC1 P48135 [0,1,0,1,0,0|2,0,0]=4 660 B8R1.34 NC(=O)CC1CNC1 P47102 [0,1,0,1,0,0|1,0,0]=3 661 B8R1.34 NC(=O)CC1CNC1 P48716 [0,1,0,1,0,0|1,0,0]=3 662 B8R1.34 NC(=O)NC1CCC1 P45216 [0,1,0,1,0,0|1,0,0]=3 663 B8R1.34 NC(=S)NC1CCC1 P45454 [0,1,0,1,0,0|1,1,0]=4 664 B8R1.34 O=C(O)C=C1CCC1 G-6914 [0,1,0,1,0,0|0,0,1]=3 665 B8R1.34 O=C(O)C=C1CNC1 P45911 [0,1,0,1,0,0|0,0,2]=4 666 B8R1.34 O=C(O)CC1CCC1 P44572 [0,1,0,1,0,0|0,0,0]=2 667 B8R1.34 O=C(O)CC1CCN1 P44826 [0,1,0,1,0,0|0,0,0]=2 668 B8R1.34 O=C(O)CC1CCO1 F-4762 [0,1,0,1,0,0|0,0,0]=2 669 B8R1.34 O=C(O)CC1CNC1 G-7532 [0,1,0,1,0,0|0,0,0]=2 670 B8R1.34 O=C(O)CC1CNC1 M22650 [0,1,0,1,0,0|0,0,0]=2 671 B8R1.34 O=C(O)CC1CNC1 P46867 [0,1,0,1,0,0|0,0,0]=2 672 B8R1.34 O=C(O)CC1COC1 F-4181 [0,1,0,1,0,0|0,0,0]=2 673 B8R1.34 O=C(O)CN1CCC1 H-8105 [0,1,0,1,0,0|0,0,0]=2 674 B8R1.34 O=C(O)C[C@@H]1CCO1 Q56144 [0,1,0,1,0,0|0,0,0]=2 675 B8R1.34 O=C(O)C[C@H]1CCO1 Q56143 [0,1,0,1,0,0|0,0,0]=2 676 B8R1.40 COC(=O)C=C1CC1 H-8420 [0,1,0,1,0,0|0,0,2]=4 677 B8R1.40 COC(=O)CC1CC1 G-7131 [0,1,0,1,0,0|0,0,0]=2 678 B8R1.40 NCC(=O)NC1CC1 P36714 [0,1,0,1,0,0|2,0,0]=4 679 B8R1.40 N[C@@H](CO)CC1CC1 P42901 [0,1,0,1,0,0|1,0,1]=4 680 B8R1.40 N[C@H](CO)CC1CC1 P42900 [0,1,0,1,0,0|1,0,1]=4 681 B8R1.43 N#CC1CC1C(=O)O P43783 [0,1,0,1,0,0|0,0,1]=3 682 B8R1.43 N#C[C@@H]1C[C@H]1C(=O)O L14217 [0,1,0,1,0,0|0,0,1]=3 683 B8R1.43 N#C[C@H]1C[C@H]1C(=O)O L22404 [0,1,0,1,0,0|0,0,1]=3 684 B8R1.43 NCC1CC1C(=O)O Q52566 [0,1,0,1,0,0|0,0,0]=2 685 B8R1.51 CC1(C)CC(=O)CN1 Q56039 [0,1,0,1,0,0|2,0,0]=4 686 B8R1.51 CC1(C)CC(=O)CN1 Q56040 [0,1,0,1,0,0|2,0,0]=4 687 B8R1.51 CC1(C)CCC(=O)C1 L21292 [0,1,0,1,0,0|1,0,0]=3 688 B8R1.51 CC1(C)CCC(=O)N1 P43256 [0,1,0,1,0,0|1,0,0]=3 689 B8R1.51 CC1(C)CNC(=O)C1 P36730 [0,1,0,1,0,0|2,0,0]=4 690 B8R1.51 CC1(C)COC(=O)N1 C-3461 [0,1,0,1,0,0|2,0,0]=4 691 B8R1.51 CC1(O)CCC(N)C1 P50831 [0,1,0,1,0,0|1,0,1]=4 692 B8R1.51 CC1(O)CCC(N)C1 Q56519 [0,1,0,1,0,0|1,0,1]=4 693 B8R1.51 CC1(O)CNC(=O)C1 Q59288 [0,1,0,1,0,0|2,0,0]=4 694 B8R1.51 C[C@@H]1COS(=O)(=O)O1 O34489 [0,1,0,1,0,0|2,0,0]=4 695 B8R1.51 C[C@H]1COS(=O)(=O)O1 O34412 [0,1,0,1,0,0|2,0,0]=4 696 B8R1.51 C[C@]1(O)CC[C@@H](N)C1 Q56976 [0,1,0,1,0,0|1,0,1]=4 697 B8R1.51 NC1CCS(=O)(=O)C1 M15812 [0,1,0,1,0,0|1,0,1]=4 698 B8R1.51 O=C1CCC(F)(F)C1 H-8755 [0,1,0,1,0,0|2,0,0]=4 699 B8R1.51 O=S1(=O)CCC(O)C1 P41760 [0,1,0,1,0,0|1,0,1]=4 700 B8R1.62 CC1(CO)CC(=O)C1 G-7478 [0,1,0,1,0,0|2,0,0]=4 701 B8R1.2 BrCC1=CCCCC1 G-7545 [0,1,0,1,0,0|2,0,0]=4 702 B8R1.2 C#CC1CCCCO1 Q62780 [0,1,0,1,0,0|1,0,1]=4 703 B8R1.2 C#C[C@@H]1CCCCO1 Q62782 [0,1,0,1,0,0|1,0,1]=4 704 B8R1.2 C#C[C@H]1CCCCO1 Q62781 [0,1,0,1,0,0|1,0,1]=4 705 B8R1.2 COC1=CCOCC1 G-7495 [0,1,0,1,0,0|2,0,0]=4 706 B8R1.2 NCC1=CCCCC1 P38792 [0,1,0,1,0,0|2,0,0]=4 707 B8R1.2 NC[C@@H]1CCCCO1 Q62567 [0,1,0,1,0,0|1,0,1]=4 708 B8R1.2 NC[C@H]1CCCCO1 Q62568 [0,1,0,1,0,0|1,0,1]=4 709 B8R1.2 O=CC1CCCCO1 Q60246 [0,1,0,1,0,0|0,0,1]=3 710 B8R1.2 OCC1=CCCCO1 Q54672 [0,1,0,1,0,0|0,0,2]=4 711 B8R1.2 OCC1=CCOCC1 Q54592 [0,1,0,1,0,0|2,0,0]=4 712 B8R1.2 OCC1CCCCS1 Q57888 [0,1,0,1,0,0|0,1,1]=4 713 B8R1.2 OC[C@@H]1CCCCN1 M23455 [0,1,0,1,0,0|1,0,1]=4 714 B8R1.2 OC[C@@H]1CCCCO1 F-4789 [0,1,0,1,0,0|0,0,2]=4 715 B8R1.2 OC[C@H]1CCCCN1 M23615 [0,1,0,1,0,0|1,0,1]=4 716 B8R1.2 OC[C@H]1CCCCO1 P43928 [0,1,0,1,0,0|0,0,2]=4 717 B8R1.3 C=C1CCC(=O)CC1 P44029 [0,1,0,1,0,0|1,0,1]=4 718 B8R1.3 C=C1CCC(N)CC1 L19013 [0,1,0,1,0,0|2,0,0]=4 719 B8R1.3 CC1C=CC(=O)CC1 K12331 [0,1,0,1,0,0|1,0,0]=3 720 B8R1.3 CC1CCC(=O)NC1 L13409 [0,1,0,1,0,0|1,0,0]=3 721 B8R1.3 CC1CCC(O)CN1 Q61256 [0,1,0,1,0,0|1,0,1]=4 722 B8R1.3 CC1CCC(O)CN1 Q61257 [0,1,0,1,0,0|1,0,1]=4 723 B8R1.3 CC1CNC(=O)CN1 P35228 [0,1,0,1,0,0|2,0,0]=4 724 B8R1.3 C[C@@H]1CCC(=O)CN1 Q56751 [0,1,0,1,0,0|1,0,0]=3 725 B8R1.3 C[C@@H]1CCC(=O)CN1 Q56752 [0,1,0,1,0,0|1,0,0]=3 726 B8R1.3 C[C@@H]1CC[C@@H](O)CN1 Q56745 [0,1,0,1,0,0|1,0,1]=4 727 B8R1.3 C[C@@H]1CC[C@H](O)CN1 P45650 [0,1,0,1,0,0|1,0,1]=4 728 B8R1.3 C[C@@H]1CC[C@H](O)CN1 Q56748 [0,1,0,1,0,0|1,0,1]=4 729 B8R1.3 C[C@@H]1CC[C@H](O)CN1 Q56749 [0,1,0,1,0,0|1,0,1]=4 730 B8R1.3 C[C@@H]1CNC(=O)CN1 L14453 [0,1,0,1,0,0|2,0,0]=4 731 B8R1.3 C[C@H]1CCC(=O)CN1 Q56753 [0,1,0,1,0,0|1,0,0]=3 732 B8R1.3 C[C@H]1CCC(=O)CN1 Q56754 [0,1,0,1,0,0|1,0,0]=3 733 B8R1.3 C[C@H]1CC[C@@H](O)CN1 P50092 [0,1,0,1,0,0|1,0,1]=4 734 B8R1.3 C[C@H]1CC[C@@H](O)CN1 Q56719 [0,1,0,1,0,0|1,0,1]=4 735 B8R1.3 C[C@H]1CC[C@H](O)CN1 Q56728 [0,1,0,1,0,0|1,0,1]=4 736 B8R1.3 C[C@H]1CC[C@H](O)CN1 Q56729 [0,1,0,1,0,0|1,0,1]=4 737 B8R1.3 C[C@H]1CNC(=O)CN1 L13879 [0,1,0,1,0,0|2,0,0]=4 738 B8R1.3 NC1CCC(=O)CC1 P36686 [0,1,0,1,0,0|1,0,0]=3 739 B8R1.3 NC1CCC(=O)NC1 C-3401 [0,1,0,1,0,0|1,0,0]=3 740 B8R1.3 NC1CCC(O)CC1 P44662 [0,1,0,1,0,0|1,0,1]=4 741 B8R1.3 NC1CCC(O)CC1 P44669 [0,1,0,1,0,0|1,0,1]=4 742 B8R1.3 NC1CCS(=O)CC1 Q54883 [0,1,0,1,0,0|2,0,0]=4 743 B8R1.3 NC1CCS(=O)CC1 Q54884 [0,1,0,1,0,0|2,0,0]=4 744 B8R1.3 N[C@@H]1CCC(=O)NC1 L21492 [0,1,0,1,0,0|1,0,0]=3 745 B8R1.3 N[C@H]1CCC(=O)NC1 L21629 [0,1,0,1,0,0|1,0,0]=3 746 B8R1.3 N[C@H]1CC[C@@H](O)CC1 L13980 [0,1,0,1,0,0|1,0,1]=4 747 B8R1.3 N[C@H]1CC[C@H](O)CC1 G-6922 [0,1,0,1,0,0|1,0,1]=4 748 B8R1.3 N[C@H]1CC[C@H](O)CC1 P45541 [0,1,0,1,0,0|1,0,1]=4 749 B8R1.3 O=C1CCC(=O)NC1 Q52611 [0,1,0,1,0,0|1,0,1]=4 750 B8R1.3 O=C1CCC(=O)OC1 K12424 [0,1,0,1,0,0|0,0,1]=3 751 B8R1.3 O=C1CCC(Br)CC1 P39565 [0,1,0,1,0,0|1,0,0]=3 752 B8R1.3 O=C1CCC(F)CC1 L21631 [0,1,0,1,0,0|1,0,0]=3 753 B8R1.3 O=C1CCC(F)CN1 Q54421 [0,1,0,1,0,0|1,0,0]=3 754 B8R1.3 O=C1CC[C@H](O)CN1 Q52728 [0,1,0,1,0,0|1,0,0]=3 755 B8R1.3 O=S1CCC(O)CC1 Q57900 [0,1,0,1,0,0|2,0,0]=4 756 B8R1.3 OC1CCC(Br)CC1 P44927 [0,1,0,1,0,0|1,0,1]=4 757 B8R1.3 OC1CCC(F)CC1 P43964 [0,1,0,1,0,0|1,0,1]=4 758 B8R1.3 O[C@H]1CC[C@@H](F)CC1 P44855 [0,1,0,1,0,0|1,0,1]=4 759 B8R1.3 O[C@H]1CC[C@@H](O)CC1 L13038 [0,1,0,1,0,0|1,0,1]=4 760 B8R1.3 O[C@H]1CC[C@H](F)CC1 P47218 [0,1,0,1,0,0|1,0,1]=4 761 B8R1.3 O[C@H]1CC[C@H](S)CC1 P45358 [0,1,0,1,0,0|1,0,1]=4 762 B8R1.5 CC1CCCNC1=O L13669 [0,1,0,1,0,0|1,0,0]=3 763 B8R1.5 CC1CCNCC1=O F-4040 [0,1,0,1,0,0|2,0,0]=4 764 B8R1.5 CC1CNCCC1=O O34502 [0,1,0,1,0,0|2,0,0]=4 765 B8R1.5 CC1COCCC1=O F-4697 [0,1,0,1,0,0|2,0,0]=4 766 B8R1.5 CC1NCCNC1=O O34501 [0,1,0,1,0,0|2,0,0]=4 767 B8R1.5 CN1CCNCC1=O G-5499 [0,1,0,1,0,0|2,0,0]=4 768 B8R1.5 CN1CCNCC1=O G-5499-1 [0,1,0,1,0,0|2,0,0]=4 769 B8R1.5 C[C@@H]1NCCNC1=O O34331 [0,1,0,1,0,0|2,0,0]=4 770 B8R1.5 C[C@H]1NCCNC1=O O34330 [0,1,0,1,0,0|2,0,0]=4 771 B8R1.5 NC1CCCCC1=O P45934 [0,1,0,1,0,0|1,0,0]=3 772 B8R1.5 NN1CCCCC1=O B-1138 [0,1,0,1,0,0|1,0,0]=3 773 B8R1.5 N[C@@H]1CCCC[C@@H]1O P46454 [0,1,0,1,0,0|1,0,1]=4 774 B8R1.5 N[C@@H]1CCCC[C@@H]1O P49846 [0,1,0,1,0,0|1,0,1]=4 775 B8R1.5 N[C@@H]1CCCC[C@H]1O P48754 [0,1,0,1,0,0|1,0,1]=4 776 B8R1.5 N[C@@H]1CCCNC1=O O34375 [0,1,0,1,0,0|1,0,0]=3 777 B8R1.5 N[C@H]1CCCC[C@@H]1O P44501 [0,1,0,1,0,0|1,0,1]=4 778 B8R1.5 N[C@H]1CCCC[C@H]1O P45876 [0,1,0,1,0,0|1,0,1]=4 779 B8R1.5 N[C@H]1CCCC[C@H]1O P46705 [0,1,0,1,0,0|1,0,1]=4 780 B8R1.5 N[C@H]1CCCNC1=O O34462 [0,1,0,1,0,0|1,0,0]=3 781 B8R1.5 O=C1CCCCC1Br L21639 [0,1,0,1,0,0|1,0,0]=3 782 B8R1.5 O=C1CCCCC1F P45307 [0,1,0,1,0,0|1,0,0]=3 783 B8R1.5 O=C1CCCNC1=O S72799 [0,1,0,1,0,0|1,0,1]=4 784 B8R1.5 O=C1CCNCC1Br Q52493 [0,1,0,1,0,0|2,0,0]=4 785 B8R1.5 O=C1CCNCC1F G-7340 [0,1,0,1,0,0|2,0,0]=4 786 B8R1.5 O=C1CCNCC1F Q56501 [0,1,0,1,0,0|2,0,0]=4 787 B8R1.5 O=C1CCOCC1Br C-3416 [0,1,0,1,0,0|2,0,0]=4 788 B8R1.5 O=C1CCOCC1F G-7272 [0,1,0,1,0,0|2,0,0]=4 789 B8R1.5 O=C1CCOC[C@H]1F Q52309 [0,1,0,1,0,0|2,0,0]=4 790 B8R1.5 O=C1COCCC1Br Q54651 [0,1,0,1,0,0|2,0,0]=4 791 B8R1.5 O=C1NCCCC1Br L18696 [0,1,0,1,0,0|1,0,0]=3 792 B8R1.5 O=C1NCCC[C@@H]1O P36280 [0,1,0,1,0,0|1,0,0]=3 793 B8R1.5 O=C1NCCC[C@H]1O P39619 [0,1,0,1,0,0|1,0,0]=3 794 B8R1.5 O=C1OCCCC1Br L20669 [0,1,0,1,0,0|0,0,0]=2 795 B8R1.5 OC1CCCCC1Br Q59575 [0,1,0,1,0,0|1,0,1]=4 796 B8R1.22 O=C1CCCNCC1 A-576 [0,1,0,1,0,0|1,0,0]=3 797 B8R1.22 O=C1CCNCCN1 Q52595 [0,1,0,1,0,0|1,0,0]=3 798 B8R1.22 O=C1CNCCCN1 O34379 [0,1,0,1,0,0|1,0,0]=3 799 B8R1.22 O=C1CNCCNC1 P46870 [0,1,0,1,0,0|2,0,0]=4 800 B8R1.38 C=CC(=O)N1CCC1 P44698 [0,1,0,1,0,0|2,0,0]=4 801 B8R1.38 CCC(=O)C1CCC1 P45339 [0,1,0,1,0,0|1,0,0]=3 802 B8R1.38 CCC(=O)C1COC1 Q56142 [0,1,0,1,0,0|2,0,0]=4 803 B8R1.38 CCC(O)C1CCC1 P48473 [0,1,0,1,0,0|1,0,1]=4 804 B8R1.38 CNC(=O)C1CCC1 P49094 [0,1,0,1,0,0|1,0,0]=3 805 B8R1.38 CNC(=O)C1CNC1 P45048 [0,1,0,1,0,0|2,0,0]=4 806 B8R1.38 CNC(=O)C1CNC1 P45049 [0,1,0,1,0,0|2,0,0]=4 807 B8R1.38 COC(=O)C1C=CC1 P47818 [0,1,0,1,0,0|0,0,2]=4 808 B8R1.38 COC(=O)C1CCC1 P45206 [0,1,0,1,0,0|0,0,0]=2 809 B8R1.38 COC(=O)C1CCN1 F-4237 [0,1,0,1,0,0|1,0,0]=3 810 B8R1.38 COC(=O)C1CNC1 A-420 [0,1,0,1,0,0|1,0,0]=3 811 B8R1.38 COC(=O)C1CNC1 F-4426 [0,1,0,1,0,0|1,0,0]=3 812 B8R1.38 COC(=O)C1COC1 L13768 [0,1,0,1,0,0|1,0,0]=3 813 B8R1.38 COC(=O)[C@@H]1CCN1 G-7134 [0,1,0,1,0,0|1,0,0]=3 814 B8R1.38 COC(=O)[C@H]1CCN1 G-7965 [0,1,0,1,0,0|1,0,0]=3 815 B8R1.38 N#CC(O)C1CCC1 P47263 [0,1,0,1,0,0|1,0,1]=4 816 B8R1.38 NC(CO)C1CCC1 P41858 [0,1,0,1,0,0|1,0,1]=4 817 B8R1.38 NCC(=O)C1CCC1 L19863 [0,1,0,1,0,0|1,0,0]=3 818 B8R1.38 NCC(=O)N1CCC1 P42497 [0,1,0,1,0,0|2,0,0]=4 819 B8R1.38 NCC(O)C1CCC1 P45275 [0,1,0,1,0,0|1,0,1]=4 820 B8R1.38 NCC(O)C1CCC1 P46691 [0,1,0,1,0,0|1,0,1]=4 821 B8R1.38 NNC(=O)C1CCC1 P44614 [0,1,0,1,0,0|1,0,0]=3 822 B8R1.38 N[C@@H](CO)C1CCC1 P42021 [0,1,0,1,0,0|1,0,1]=4 823 B8R1.38 N[C@H](CO)C1CCC1 P42020 [0,1,0,1,0,0|1,0,1]=4 824 B8R1.38 O=C(CBr)C1CCC1 P44370 [0,1,0,1,0,0|1,0,0]=3 825 B8R1.38 O=C(CBr)N1CCC1 P44519 [0,1,0,1,0,0|2,0,0]=4 826 B8R1.38 O=C(CCl)C1CCC1 P45495 [0,1,0,1,0,0|1,0,0]=3 827 B8R1.38 O=C(CCl)N1CCC1 P34713 [0,1,0,1,0,0|2,0,0]=4 828 B8R1.38 O=C(CO)C1CCC1 P45459 [0,1,0,1,0,0|0,0,0]=2 829 B8R1.38 O=C(NO)C1CCC1 P45195 [0,1,0,1,0,0|0,0,0]=2 830 B8R1.38 OCC(O)C1CCC1 P44874 [0,1,0,1,0,0|0,0,2]=4 831 B8R1.50 CC1C(=O)CCN1C Q52697 [0,1,0,1,0,0|2,0,0]=4 832 B8R1.50 CC1CCN(C)C1=O O30589 [0,1,0,1,0,0|2,0,0]=4 833 B8R1.50 CN1CCC(=O)C1=O Q59432 [0,1,0,1,0,0|1,0,1]=4 834 B8R1.50 CN1CCC(O)C1=O Q62094 [0,1,0,1,0,0|1,0,1]=4 835 B8R1.50 C[C@@H]1CC[C@@H](O)[C@H]1N Q53610 [0,1,0,1,0,0|1,0,1]=4 836 B8R1.50 C[C@H]1CC[C@H](O)[C@@H]1N Q53609 [0,1,0,1,0,0|1,0,1]=4 837 B8R1.52 C#CC1(O)CCCC1 P40546 [0,1,0,1,0,0|1,0,1]=4 838 B8R1.52 CC1(C=O)CCCC1 Q57127 [0,1,0,1,0,0|1,0,1]=4 839 B8R1.52 CC1(CO)CCCC1 P38391 [0,1,0,1,0,0|1,0,1]=4 840 B8R1.52 N#CC1(O)CCCC1 P37734 [0,1,0,1,0,0|1,0,1]=4 841 B8R1.52 NC1(CO)CCCC1 P42933 [0,1,0,1,0,0|1,0,1]=4 842 B8R1.52 NCC1(O)CCCC1 O33303 [0,1,0,1,0,0|1,0,1]=4 843 B8R1.52 NCC1(O)CCCC1 Q52143 [0,1,0,1,0,0|1,0,1]=4 844 B8R1.52 OCC1(F)CCCC1 Q57007 [0,1,0,1,0,0|1,0,1]=4 845 B8R1.6 CCCC1CC(=O)C1 P45457 [0,1,0,1,0,0|1,0,0]=3 846 B8R1.6 CCCN1CC(O)C1 P48468 [0,1,0,1,0,0|1,0,1]=4 847 B8R1.6 CCCN1CC(O)C1 P48737 [0,1,0,1,0,0|1,0,1]=4 848 B8R1.6 CCOC1CC(=O)C1 P45782 [0,1,0,1,0,0|1,0,0]=3 849 B8R1.6 CCO[C@H]1C[C@@H](O)C1 P45783 [0,1,0,1,0,0|1,0,1]=4 850 B8R1.6 CCO[C@H]1C[C@H](O)C1 P45429 [0,1,0,1,0,0|1,0,1]=4 851 B8R1.6 CNCC1CC(O)C1 P48824 [0,1,0,1,0,0|1,0,1]=4 852 B8R1.6 COCC1CC(=O)C1 P42770 [0,1,0,1,0,0|1,0,0]=3 853 B8R1.6 N#CCC1CC(=O)C1 L18034 [0,1,0,1,0,0|1,0,1]=4 854 B8R1.7 CC(=O)C1CCCN1 P37169 [0,1,0,1,0,0|1,0,0]=3 855 B8R1.7 CC(=O)C1CCCN1 Q61985 [0,1,0,1,0,0|1,0,0]=3 856 B8R1.7 CC(=O)C1CCNC1 O31491 [0,1,0,1,0,0|1,0,0]=3 857 B8R1.7 CC(=O)C1NCCS1 M15825 [0,1,0,1,0,0|2,0,0]=4 858 B8R1.7 CC(=O)[C@@H]1CCCN1 Q61986 [0,1,0,1,0,0|1,0,0]=3 859 B8R1.7 CC(=O)[C@@H]1CCCN1 Q62844 [0,1,0,1,0,0|1,0,0]=3 860 B8R1.7 CC(=O)[C@H]1CCCN1 Q62845 [0,1,0,1,0,0|1,0,0]=3 861 B8R1.7 CC(O)C1CCNC1 P41560 [0,1,0,1,0,0|1,0,1]=4 862 B8R1.7 CC(O)C1CCNC1 Q59351 [0,1,0,1,0,0|1,0,1]=4 863 B8R1.7 C[C@H](O)C1CCCC1 Q59154 [0,1,0,1,0,0|1,0,1]=4 864 B8R1.7 NC(=O)C1CCCC1 P38833 [0,1,0,1,0,0|1,0,0]=3 865 B8R1.7 NC(=O)C1CCCN1 P39079 [0,1,0,1,0,0|1,0,0]=3 866 B8R1.7 NC(=O)C1CCCN1 P42514 [0,1,0,1,0,0|1,0,0]=3 867 B8R1.7 NC(=O)C1CCNC1 G-5260 [0,1,0,1,0,0|1,0,0]=3 868 B8R1.7 NC(=O)C1CCOC1 G-6625 [0,1,0,1,0,0|1,0,0]=3 869 B8R1.7 NC(=O)[C@@H]1CCCN1 I-9393 [0,1,0,1,0,0|1,0,0]=3 870 B8R1.7 NC(=O)[C@@H]1CCCN1 P45231 [0,1,0,1,0,0|1,0,0]=3 871 B8R1.7 NC(=O)[C@@H]1CCNC1 G-5262 [0,1,0,1,0,0|1,0,0]=3 872 B8R1.7 NC(=O)[C@@H]1CCNC1 G-7539 [0,1,0,1,0,0|1,0,0]=3 873 B8R1.7 NC(=O)[C@H]1CCNC1 G-5261 [0,1,0,1,0,0|1,0,0]=3 874 B8R1.7 NC(=O)[C@H]1CCNC1 Q51836 [0,1,0,1,0,0|1,0,0]=3 875 B8R1.7 O=C(O)C1=COCC1 C-2964 [0,1,0,1,0,0|0,0,2]=4 876 B8R1.7 O=C(O)C1CC=CC1 G-6381 [0,1,0,1,0,0|0,0,1]=3 877 B8R1.7 O=C(O)C1CCNC1 G-5249 [0,1,0,1,0,0|0,0,0]=2 878 B8R1.7 O=C(O)C1CCOC1 C-3386 [0,1,0,1,0,0|0,0,0]=2 879 B8R1.7 O=C(O)C1SCCS1 L19481 [0,1,0,1,0,0|1,0,0]=3 880 B8R1.7 O=C(O)[C@@H]1C=CCN1 P39990 [0,1,0,1,0,0|0,0,2]=4 881 B8R1.7 O=C(O)[C@@H]1CCCN1 L13796 [0,1,0,1,0,0|0,0,0]=2 882 B8R1.7 O=C(O)[C@@H]1CCNC1 L18435 [0,1,0,1,0,0|0,0,0]=2 883 B8R1.7 O=C(O)[C@@H]1CCNC1 Q51834 [0,1,0,1,0,0|0,0,0]=2 884 B8R1.7 O=C(O)[C@@H]1CCOC1 C-2786 [0,1,0,1,0,0|0,0,0]=2 885 B8R1.7 O=C(O)[C@H]1C=CCN1 M22943 [0,1,0,1,0,0|0,0,2]=4 886 B8R1.7 O=C(O)[C@H]1CCNC1 G-5250 [0,1,0,1,0,0|0,0,0]=2 887 B8R1.7 O=C(O)[C@H]1CCNC1 P45277 [0,1,0,1,0,0|0,0,0]=2 888 B8R1.7 O=C(O)[C@H]1CCOC1 C-2785 [0,1,0,1,0,0|0,0,0]=2 889 B8R1.7 O=[N+]([O-])C1CCNC1 Q64792 [0,1,0,1,0,0|1,0,1]=4 890 B8R1.35 O=C(O)CCC1CC1 P37405 [0,1,0,1,0,0|0,0,0]=2 891 B8R1.35 O=C(O)\C=C\C1CC1 L14104 [0,1,0,1,0,0|0,0,1]=3 892 B8R1.48 NCC1CCS1(=O)=O Q58812 [0,1,0,1,0,0|1,0,1]=4 893 B8R1.72 CC1(O)CCCNC1 A-831 [0,1,0,1,0,0|1,0,1]=4 894 B8R1.72 CC1(O)CCCNC1 M22629 [0,1,0,1,0,0|1,0,1]=4 895 B8R1.72 CC1(O)CCCOC1 Q65022 [0,1,0,1,0,0|1,0,1]=4 896 B8R1.72 CC1(O)CCNCC1 A-829 [0,1,0,1,0,0|1,0,1]=4 897 B8R1.72 CC1(O)CCOCC1 P36263 [0,1,0,1,0,0|1,0,1]=4 898 B8R1.72 C[C@@]1(O)CCCNC1 Q65190 [0,1,0,1,0,0|1,0,1]=4 899 B8R1.72 C[C@]1(O)CCCNC1 P44137 [0,1,0,1,0,0|1,0,1]=4 900 B8R1.72 N=S1(=O)CCNCC1 Q69962 [0,1,0,1,0,0|2,0,0]=4 901 B8R1.72 O=S1(=O)CCNCC1 G-5351 [0,1,0,1,0,0|1,0,1]=4 902 B8R1.23 C=C1CC(C(=O)O)C1 D-2502 [0,1,0,1,0,0|0,0,1]=3 903 B8R1.23 CC(=O)C1CC(O)C1 H-8191 [0,1,0,1,0,0|1,0,0]=3 904 B8R1.23 CC(=O)N1CC(N)C1 G-6033 [0,1,0,1,0,0|2,0,0]=4 905 B8R1.23 CC(=O)N1CC(N)C1 P44093 [0,1,0,1,0,0|2,0,0]=4 906 B8R1.23 CC(=O)N1CC(O)C1 L21515 [0,1,0,1,0,0|2,0,0]=4 907 B8R1.23 CC(C)C1CC(=O)N1 P45240 [0,1,0,1,0,0|1,0,0]=3 908 B8R1.23 CC(F)C1CC(=O)C1 P46360 [0,1,0,1,0,0|1,0,0]=3 909 B8R1.23 CC(N)C1CC(O)C1 P47214 [0,1,0,1,0,0|1,0,1]=4 910 B8R1.23 CC(O)C1CC(=O)C1 P46310 [0,1,0,1,0,0|1,0,0]=3 911 B8R1.23 CC1CC(C(=O)O)C1 L14063 [0,1,0,1,0,0|0,0,0]=2 912 B8R1.23 CN(C)C1CC(=O)C1 P48380 [0,1,0,1,0,0|2,0,0]=4 913 B8R1.23 CN1CC(C(=O)O)C1 C-2243 [0,1,0,1,0,0|1,0,0]=3 914 B8R1.23 C[C@@H](N)C1CC(O)C1 K10848 [0,1,0,1,0,0|1,0,1]=4 915 B8R1.23 C[C@H]1C[C@@H](C(=O)O)C1 G-6829 [0,1,0,1,0,0|0,0,0]=2 916 B8R1.23 C[C@H]1C[C@H](C(=O)O)C1 G-6830 [0,1,0,1,0,0|0,0,0]=2 917 B8R1.23 NC(=O)C1CC(N)C1 P48836 [0,1,0,1,0,0|1,0,0]=3 918 B8R1.23 NC1CC(C(=O)O)C1 G-7780 [0,1,0,1,0,0|0,0,0]=2 919 B8R1.23 NC1CC(C(=O)O)C1 P47808 [0,1,0,1,0,0|0,0,0]=2 920 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 C-2277 [0,1,0,1,0,0|0,0,0]=2 921 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 C-2277-1 [0,1,0,1,0,0|0,0,0]=2 922 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 C-2278 [0,1,0,1,0,0|0,0,0]=2 923 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 P44571 [0,1,0,1,0,0|0,0,0]=2 924 B8R1.23 O=C(O)C1CC(Cl)C1 F-4598 [0,1,0,1,0,0|0,0,0]=2 925 B8R1.23 O=C(O)C1CC(F)C1 D-2564 [0,1,0,1,0,0|0,0,0]=2 926 B8R1.23 O=C(O)C1CC(O)C1 A-876 [0,1,0,1,0,0|0,0,0]=2 927 B8R1.23 O=C(O)C1CC(O)C1 F-4100 [0,1,0,1,0,0|0,0,0]=2 928 B8R1.23 O=C(O)C1CC(O)C1 F-4101 [0,1,0,1,0,0|0,0,0]=2 929 B8R1.23 O=C(O)[C@H]1C[C@@H](F)C1 L21925 [0,1,0,1,0,0|0,0,0]=2 930 B8R1.23 O=C(O)[C@H]1C[C@H](Cl)C1 L14175 [0,1,0,1,0,0|0,0,0]=2 931 B8R1.23 O=C(O)[C@H]1C[C@H](F)C1 L21353 [0,1,0,1,0,0|0,0,0]=2 932 B8R1.23 O=C1CC(C(=O)O)C1 D-2503 [0,1,0,1,0,0|0,0,1]=3 933 B8R1.23 O=C1CC(C(=O)O)N1 P34768 [0,1,0,1,0,0|1,0,1]=4 934 B8R1.23 O=C1CC(C(=O)O)O1 P44894 [0,1,0,1,0,0|1,0,1]=4 935 B8R1.23 O=C1CC(C(F)F)C1 P48065 [0,1,0,1,0,0|2,0,0]=4 936 B8R1.23 O=C1C[C@@H](C(=O)O)N1 I-9933 [0,1,0,1,0,0|1,0,1]=4 937 B8R1.23 O=C1C[C@H](C(=O)O)N1 I-9634 [0,1,0,1,0,0|1,0,1]=4 938 B8R1.54 NC(=O)C(N)C1CC1 L20769 [0,1,0,1,0,0|1,0,0]=3 939 B8R1.54 NC(C(=O)O)C1CC1 O27895 [0,1,0,1,0,0|0,0,0]=2 940 B8R1.54 N[C@@H](C(=O)O)C1CC1 G-5951 [0,1,0,1,0,0|0,0,0]=2 941 B8R1.54 N[C@H](C(=O)O)C1CC1 O28968 [0,1,0,1,0,0|0,0,0]=2 942 B8R1.78 CC(=O)C1(C)COC1 C-2927 [0,1,0,1,0,0|2,0,0]=4 943 B8R1.78 CC(=O)C1(F)CNC1 P50378 [0,1,0,1,0,0|2,0,0]=4 944 B8R1.78 CC1(C(=O)O)CCC1 G-6550 [0,1,0,1,0,0|0,0,0]=2 945 B8R1.78 CC1(C(=O)O)CCN1 P50169 [0,1,0,1,0,0|1,0,0]=3 946 B8R1.78 CC1(C(=O)O)CCO1 Q56227 [0,1,0,1,0,0|1,0,0]=3 947 B8R1.78 CC1(C(=O)O)CNC1 L18025 [0,1,0,1,0,0|1,0,0]=3 948 B8R1.78 CC1(C(=O)O)CNC1 O28316 [0,1,0,1,0,0|1,0,0]=3 949 B8R1.78 CC1(C(=O)O)COC1 C-2391 [0,1,0,1,0,0|1,0,0]=3 950 B8R1.78 NC(=O)C1(Br)CCC1 P45535 [0,1,0,1,0,0|1,0,0]=3 951 B8R1.78 NC(=O)C1(F)CNC1 P50379 [0,1,0,1,0,0|2,0,0]=4 952 B8R1.78 NC(=O)C1(N)CCC1 L20709 [0,1,0,1,0,0|1,0,0]=3 953 B8R1.78 NC(=O)C1(N)CCC1 P44318 [0,1,0,1,0,0|1,0,0]=3 954 B8R1.78 NC(=O)C1(N)CNC1 P48442 [0,1,0,1,0,0|2,0,0]=4 955 B8R1.78 NC(=O)C1(O)CCC1 P49176 [0,1,0,1,0,0|1,0,0]=3 956 B8R1.78 NC1(C(=O)F)CCC1 P46353 [0,1,0,1,0,0|1,0,0]=3 957 B8R1.78 NC1(C(=O)O)CCC1 G-7616 [0,1,0,1,0,0|0,0,0]=2 958 B8R1.78 NC1(C(=O)O)CCC1 L13534 [0,1,0,1,0,0|0,0,0]=2 959 B8R1.78 NC1(C(=O)O)CNC1 C-3611 [0,1,0,1,0,0|1,0,0]=3 960 B8R1.78 NC1(C(=O)O)COC1 C-3395 [0,1,0,1,0,0|1,0,0]=3 961 B8R1.78 NC1(C(=O)O)CSC1 Q56475 [0,1,0,1,0,0|1,0,0]=3 962 B8R1.78 NC1(C(=O)O)CSC1 Q56476 [0,1,0,1,0,0|1,0,0]=3 963 B8R1.78 O=C(O)C1(Br)CCC1 Q56884 [0,1,0,1,0,0|0,0,0]=2 964 B8R1.78 O=C(O)C1(F)CCC1 P46428 [0,1,0,1,0,0|0,0,0]=2 965 B8R1.78 O=C(O)C1(F)CNC1 G-7923 [0,1,0,1,0,0|1,0,0]=3 966 B8R1.78 O=C(O)C1(O)CCC1 L14796 [0,1,0,1,0,0|0,0,0]=2 967 B8R1.78 O=C(O)C1(O)CNC1 L18244 [0,1,0,1,0,0|1,0,0]=3 968 B8R1.78 O=C(O)C1(O)COC1 L21345 [0,1,0,1,0,0|1,0,0]=3 969 B8R1.78 O=C(O)C1(S)CCC1 P47778 [0,1,0,1,0,0|0,0,0]=2 970 B8R1.77 O=C(O)C1CC1(F)Cl P44593 [0,1,0,1,0,0|1,0,0]=3 971 B8R1.77 O=C(O)C1CC1(F)F L14556 [0,1,0,1,0,0|1,0,0]=3 972 B8R1.77 O=C(O)[C@@H]1CC1(F)F L14727 [0,1,0,1,0,0|1,0,0]=3 973 B8R1.55 NS(=O)(=O)C1CCC1 P45607 [0,1,0,1,0,0|1,0,1]=4 974 B8R1.55 O=S(=O)(Cl)C1CCC1 P45740 [0,1,0,1,0,0|1,0,1]=4 975 B8R1.56 NS(=O)(=O)CC1CC1 H-8361 [0,1,0,1,0,0|1,0,1]=4 976 B8R1.56 O=S(=O)(Cl)CC1CC1 O29344 [0,1,0,1,0,0|1,0,1]=4 977 B8R2.4 O=C1CC2CC1C2 P45525 [0,0,0,2,0,0|1,0,0]=3 978 B8R2.18 OC1CC2CC2C1 P44932 [0,0,0,2,0,0|1,0,1]=4 979 B8R2.18 O[C@H]1C[C@@H]2C[C@@H]2C1 Q55704 [0,0,0,2,0,0|1,0,1]=4 980 B8R2.38 O=C1CC[C@@H]2C[C@H]12 Q52888 [0,0,0,2,0,0|1,0,0]=3 981 B8R2.38 O=C1CC[C@H]2C[C@@H]12 Q52887 [0,0,0,2,0,0|1,0,0]=3 982 B8R2.38 O=C1CNC2CC12 H-8711 [0,0,0,2,0,0|2,0,0]=4 983 B8R2.38 O=C1NCC2CC12 Q61923 [0,0,0,2,0,0|1,0,0]=3 984 B8R2.45 CC1OC12CCC2 Q56043 [0,0,0,2,0,0|1,0,1]=4 985 B8R2.55 C1CCC2(C1)CO2 Q61872 [0,0,0,2,0,0|1,0,1]=4 986 B8R2.53 O=C1CC2(CC2)C1 P46452 [0,0,0,2,0,0|1,0,0]=3 987 B8R2.66 O=C(O)C12CC1C2 H-8592 [0,0,0,2,0,0|0,0,0]=2