0 B5R0.1 BrCC=C(C)C PI-12725 [0,0,0,0,0,0|2,0,2]=4 1 B5R0.1 BrCCN(C)C PI-41040 [0,0,0,0,0,0|3,0,1]=4 2 B5R0.1 CC(CCO)N PI-34839 [0,0,0,0,0,0|2,0,2]=4 3 B5R0.1 CC(CCO)N PI-35494 [0,0,0,0,0,0|2,0,2]=4 4 B5R0.1 CC(CCO)O PI-15618 [0,0,0,0,0,0|2,0,2]=4 5 B5R0.1 CC=CC(=O)C PI-45740 [0,0,0,0,0,0|3,0,1]=4 6 B5R0.1 CCCC(C)N PI-36925 [0,0,0,0,0,0|3,0,1]=4 7 B5R0.1 CCCC(C)O PI-42533 [0,0,0,0,0,0|3,0,1]=4 8 B5R0.1 CCC[C@@H](O)C PI-42532 [0,0,0,0,0,0|3,0,1]=4 9 B5R0.1 CCOC(=O)C PI-13192 [0,0,0,0,0,0|2,0,2]=4 10 B5R0.1 CCO[Si](C)C PI-50089 [0,0,0,0,0,0|1,1,1]=3 11 B5R0.1 COCC(O)C PI-12912 [0,0,0,0,0,0|4,0,0]=4 12 B5R0.1 C[C@@H](CC#N)N PI-48104 [0,0,0,0,0,0|3,0,1]=4 13 B5R0.1 C[C@H](CCO)N PI-35493 [0,0,0,0,0,0|2,0,2]=4 14 B5R0.1 O=C=NC(C)C PI-11403 [0,0,0,0,0,0|1,0,1]=2 15 B5R0.1 OCC[C@H](O)C PI-15617 [0,0,0,0,0,0|2,0,2]=4 16 B4R0.1 CC(=CBr)C PI-46509 [1,0,0,0,0,0|1,0,1]=3 17 B4R0.1 CC(C#C)O PI-44141 [1,0,0,0,0,0|2,0,1]=4 18 B4R0.1 CC(C)CN PI-46903 [1,0,0,0,0,0|1,0,1]=3 19 B4R0.1 CC(C)NC PI-41120 [1,0,0,0,0,0|1,0,1]=3 20 B4R0.1 CC(CN)O PI-16659 [1,0,0,0,0,0|2,0,1]=4 21 B4R0.1 CC(CO)O PI-16674 [1,0,0,0,0,0|1,0,2]=4 22 B4R0.1 CC(O)C#C PI-43256 [1,0,0,0,0,0|2,0,1]=4 23 B4R0.1 CCC(C)O PI-15619 [1,0,0,0,0,0|2,0,1]=4 24 B4R0.1 CNN(C)C PI-40655 [1,0,0,0,0,0|2,0,1]=4 25 B4R0.1 C[C@@H](CO)N PI-12236 [1,0,0,0,0,0|1,0,2]=4 26 B4R0.1 C[C@@H](N)CO PI-16472 [1,0,0,0,0,0|1,0,2]=4 27 B4R0.1 C[C@@H](O)CN PI-12234 [1,0,0,0,0,0|2,0,1]=4 28 B4R0.1 NC[C@@H](N)C PI-39121 [1,0,0,0,0,0|2,0,1]=4 29 B4R0.1 NNC(C)C PI-37110 [1,0,0,0,0,0|2,0,0]=3 30 B4R0.1 OC[C@H](O)C PI-16673 [1,0,0,0,0,0|1,0,2]=4 31 B4R0.2 C(=O)[N-]C=O PI-42986 [1,0,0,0,0,0|2,0,1]=4 32 B4R0.2 C=CCCBr PI-20589 [1,0,0,0,0,0|3,0,0]=4 33 B4R0.2 CC=CCO PI-41583 [1,0,0,0,0,0|3,0,0]=4 34 B4R0.2 CCCCCl PI-44613 [1,0,0,0,0,0|2,0,1]=4 35 B4R0.2 CCCNC PI-39187 [1,0,0,0,0,0|3,0,0]=4 36 B4R0.2 CCOC=C PI-12733 [1,0,0,0,0,0|1,0,0]=2 37 B4R0.2 CNCC=C PI-41121 [1,0,0,0,0,0|3,0,0]=4 38 B6R0.1 CC(CC=O)SC PI-48524 [0,1,0,0,0,0|1,0,0]=2 39 B6R0.1 CC(CCN)CO PI-48961 [0,1,0,0,0,0|2,0,1]=4 40 B6R0.1 CCC(C)N=C=S PI-22956 [0,1,0,0,0,0|1,1,1]=4 41 B6R0.1 C[C@@H](CCO)CO PI-48285 [0,1,0,0,0,0|1,0,2]=4 42 B6R0.2 CC(=CC(=O)C)O PI-39500 [0,1,0,0,0,0|2,0,1]=4 43 B6R0.2 CC(=CC(=O)Cl)C PI-13707 [0,1,0,0,0,0|1,0,1]=3 44 B6R0.2 CC(=CC(=O)O)C PI-42632 [0,1,0,0,0,0|1,0,1]=3 45 B6R0.2 CC(=O)O[Si](C)C PI-23366 [0,1,0,0,0,0|0,1,0]=2 46 B6R0.2 CC(Br)OC(=O)C PI-36668 [0,1,0,0,0,0|1,0,0]=2 47 B6R0.2 CC(C)CB(O)O PI-37377 [0,1,0,0,0,0|2,0,1]=4 48 B6R0.2 CC(C)CC(=O)[O-] PI-18660 [0,1,0,0,0,0|1,0,0]=2 49 B6R0.2 CC(C)NC(C)C PI-41089 [0,1,0,0,0,0|2,0,1]=4 50 B6R0.2 CC(C)NC(C)C PI-45766 [0,1,0,0,0,0|2,0,1]=4 51 B6R0.2 CC(C)OC(=S)[S-] PI-47168 [0,1,0,0,0,0|0,1,0]=2 52 B6R0.2 CC(CC(=O)O)N PI-35438 [0,1,0,0,0,0|2,0,0]=3 53 B6R0.2 CC(CC(=O)O)N PI-35481 [0,1,0,0,0,0|2,0,0]=3 54 B6R0.2 CC(CC(=O)O)N PI-43821 [0,1,0,0,0,0|2,0,0]=3 55 B6R0.2 CC(CC(=O)O)O PI-47070 [0,1,0,0,0,0|2,0,0]=3 56 B6R0.2 CC(OC(=O)C)Cl PI-36669 [0,1,0,0,0,0|1,0,0]=2 57 B6R0.2 CC(OC(=O)Cl)Cl PI-22740 [0,1,0,0,0,0|1,0,0]=2 58 B6R0.2 CN(C)CC(=O)O PI-15416 [0,1,0,0,0,0|2,0,0]=3 59 B6R0.2 CN(C)CC(=S)N PI-12763 [0,1,0,0,0,0|2,1,0]=4 60 B6R0.2 C[C@@H](N)CC(O)=O PI-42153 [0,1,0,0,0,0|2,0,0]=3 61 B6R0.2 C[C@H](N)CC(O)=O PI-35439 [0,1,0,0,0,0|2,0,0]=3 62 B6R0.2 C[S+](C)CC(=O)[O-] PI-45960 [0,1,0,0,0,0|2,0,0]=3 63 B6R0.2 C[Si](C)O[Si](C)C PI-46056 [0,1,0,0,0,0|1,2,0]=4 64 B6R0.2 C\C(=C/C(=O)C)\N PI-38617 [0,1,0,0,0,0|2,0,1]=4 65 B6R0.3 BrCC(=O)C(C)C PI-34836 [0,1,0,0,0,0|2,0,1]=4 66 B6R0.3 CCC(=O)C(C)C PI-39171 [0,1,0,0,0,0|2,0,1]=4 67 B6R0.3 OC[C@H](C(C)C)N PI-16477 [0,1,0,0,0,0|1,0,2]=4 68 B6R0.3 OC[C@H](N)C(C)C PI-14330 [0,1,0,0,0,0|1,0,2]=4 69 B6R0.4 O=C\C=C/N(C)C PI-12739 [0,1,0,0,0,0|2,0,0]=3 70 B6R0.5 Br\C=C\[Si](C)(C)C PI-36765 [0,1,0,0,0,0|2,1,0]=4 71 B6R0.5 C=CC[Si](C)(C)C PI-35320 [0,1,0,0,0,0|2,1,0]=4 72 B6R0.5 CC(C)(C)N=C=S PI-22958 [0,1,0,0,0,0|1,1,1]=4 73 B6R0.5 CC(C)(CSC)N PI-50645 [0,1,0,0,0,0|3,0,0]=4 74 B6R0.5 CCOC(C)(C)C PI-39331 [0,1,0,0,0,0|1,0,1]=3 75 B6R0.5 CCO[Si](C)(C)C PI-45123 [0,1,0,0,0,0|1,1,1]=4 76 B6R0.5 C[Si](C)(C)C=CI PI-44154 [0,1,0,0,0,0|2,1,0]=4 77 B6R0.5 C[Si](C)(C)OC=C PI-45112 [0,1,0,0,0,0|1,1,0]=3 78 B6R0.5 O=CCC(C)(C)C PI-36862 [0,1,0,0,0,0|1,0,0]=2 79 B6R0.5 OCCC(C)(C)C PI-38249 [0,1,0,0,0,0|1,0,2]=4 80 B6R1.2 C1C=CCC1N PI-35476 [0,0,0,1,0,0|3,0,0]=4 81 B6R1.2 CC1CCCN1 PI-35484 [0,0,0,1,0,0|2,0,1]=4 82 B6R1.2 CC1CCCN1 PI-35485 [0,0,0,1,0,0|2,0,1]=4 83 B6R1.2 CC1CCCS1 PI-47093 [0,0,0,1,0,0|1,1,1]=4 84 B6R1.2 CC1CCNC1 PI-48326 [0,0,0,1,0,0|2,0,1]=4 85 B6R1.2 CC1CNCC1 PI-36287 [0,0,0,1,0,0|2,0,1]=4 86 B6R1.2 C[C@@H]1CCNC1 PI-48327 [0,0,0,1,0,0|2,0,1]=4 87 B6R1.2 OC1CC=CC1 PI-38265 [0,0,0,1,0,0|3,0,0]=4 88 B6R1.3 C1CC1CCI PI-48331 [0,0,0,1,0,0|2,0,1]=4 89 B6R1.3 N#CCC1CC1 PI-13560 [0,0,0,1,0,0|2,0,1]=4 90 B6R1.3 OCCC1CC1 PI-17339 [0,0,0,1,0,0|1,0,2]=4 91 B6R1.5 C1C(CC1=O)N PI-48953 [0,0,0,1,0,0|2,0,0]=3 92 B3R0.1 CCC=O PI-28552 [2,0,0,0,0,0|0,0,0]=2 93 B3R0.1 CCCN PI-46904 [2,0,0,0,0,0|1,0,1]=4 94 B3R0.1 CCCN PI-46913 [2,0,0,0,0,0|1,0,1]=4 95 B3R0.1 CNCC PI-40147 [2,0,0,0,0,0|1,0,1]=4 96 B3R0.1 COCBr PI-22152 [2,0,0,0,0,0|1,0,1]=4 97 B3R0.1 CONC PI-16632 [2,0,0,0,0,0|1,0,1]=4 98 B3R0.1 NNC=O PI-38803 [2,0,0,0,0,0|2,0,0]=4 99 B3R0.1 [CH2-]CCC PI-37346 [2,0,0,0,0,0|1,0,1]=4 100 B3R0.2 CB(O)O PI-24088 [2,0,0,0,0,0|2,0,0]=4 101 B3R0.2 CC(=O)O PI-11632 [2,0,0,0,0,0|1,0,1]=4 102 B3R0.2 CC(=O)O PI-38547 [2,0,0,0,0,0|1,0,1]=4 103 B3R0.2 CC(=O)[O-] PI-20290 [2,0,0,0,0,0|1,0,1]=4 104 B3R0.2 CC(C)[O-] PI-47044 [2,0,0,0,0,0|0,0,1]=3 105 B3R0.2 C[S+](C)C PI-41785 [2,0,0,0,0,0|1,0,1]=4 106 B3R0.2 [O-]C(=O)C PI-37083 [2,0,0,0,0,0|1,0,1]=4 107 B3R0.2 [O-]C(=O)C PI-41421 [2,0,0,0,0,0|1,0,1]=4 108 B5R0.3 C(=O)C(C=O)Br PI-39607 [1,1,0,0,0,0|1,0,1]=4 109 B5R0.3 C(=O)C(C=O)Cl PI-39590 [1,1,0,0,0,0|1,0,1]=4 110 B5R0.3 C(C(C=O)O)O PI-14881 [1,1,0,0,0,0|1,0,0]=3 111 B5R0.3 C=C[C@H](CO)N PI-48191 [1,1,0,0,0,0|2,0,0]=4 112 B5R0.3 CCC(=C)C=O PI-44654 [1,1,0,0,0,0|0,0,2]=4 113 B5R0.3 N[C@H](CO)C=C PI-36414 [1,1,0,0,0,0|2,0,0]=4 114 B5R0.3 O=C[C@@H](O)CO PI-14882 [1,1,0,0,0,0|1,0,0]=3 115 B5R0.4 C=C[Si](C)(C)C PI-35331 [1,1,0,0,0,0|1,1,0]=4 116 B5R0.4 CC(C)(C#N)N PI-12615 [1,1,0,0,0,0|1,0,1]=4 117 B5R0.4 CC(C)(C)C#C PI-12884 [1,1,0,0,0,0|1,0,1]=4 118 B5R0.4 CC(C)(C)CN PI-21979 [1,1,0,0,0,0|1,0,1]=4 119 B5R0.4 CC(C)(C)N=O PI-30849 [1,1,0,0,0,0|1,0,0]=3 120 B5R0.4 CC(C)(CO)N PI-50412 [1,1,0,0,0,0|0,0,2]=4 121 B5R0.4 CC([N+]#[C-])(C)C PI-22951 [1,1,0,0,0,0|1,0,1]=4 122 B5R0.4 CCC(C)(C)[O-] PI-38669 [1,1,0,0,0,0|1,0,1]=4 123 B5R0.4 CO[Si](C)(C)C PI-45089 [1,1,0,0,0,0|0,1,1]=4 124 B5R0.4 C[Si](C)(C=C)Cl PI-45014 [1,1,0,0,0,0|1,1,0]=4 125 B5R0.4 N#CC(C)(C)C PI-37332 [1,1,0,0,0,0|1,0,1]=4 126 B5R0.4 NCC(C)(C)C PI-14589 [1,1,0,0,0,0|1,0,1]=4 127 B5R0.4 NCC(O)(C)C PI-37508 [1,1,0,0,0,0|1,0,1]=4 128 B5R0.4 NOC(C)(C)C PI-38732 [1,1,0,0,0,0|1,0,0]=3 129 B5R0.5 C(C(=O)Cl)(F)F PI-48696 [1,1,0,0,0,0|2,0,0]=4 130 B5R0.5 C(C(=O)O)(F)F PI-21386 [1,1,0,0,0,0|2,0,0]=4 131 B5R0.5 C(C(=O)O)(N)O PI-48421 [1,1,0,0,0,0|2,0,0]=4 132 B5R0.5 CC(=C)C(=O)C PI-41913 [1,1,0,0,0,0|0,0,2]=4 133 B5R0.5 CC(=O)C(=O)[O-] PI-15478 [1,1,0,0,0,0|1,0,1]=4 134 B5R0.5 CC(=O)C(=O)[O-] PI-15479 [1,1,0,0,0,0|1,0,1]=4 135 B5R0.5 CC(=O)C(=O)[O-] PI-15480 [1,1,0,0,0,0|1,0,1]=4 136 B5R0.5 CC(=O)C(=O)[O-] PI-15481 [1,1,0,0,0,0|1,0,1]=4 137 B5R0.5 CC(C(=O)C)Br PI-35002 [1,1,0,0,0,0|1,0,0]=3 138 B5R0.5 CC(C(=O)C)S PI-48502 [1,1,0,0,0,0|1,0,0]=3 139 B5R0.5 CC(C(=O)Cl)Cl PI-45764 [1,1,0,0,0,0|1,0,0]=3 140 B5R0.5 CC(C(=O)Cl)Cl PI-45765 [1,1,0,0,0,0|1,0,0]=3 141 B5R0.5 CC(C(=O)Cl)Cl PI-49052 [1,1,0,0,0,0|1,0,0]=3 142 B5R0.5 CC(C(=O)N)C PI-28643 [1,1,0,0,0,0|0,0,0]=2 143 B5R0.5 CC(C(=O)N)N PI-16292 [1,1,0,0,0,0|1,0,0]=3 144 B5R0.5 CC(C(=O)N)N PI-42205 [1,1,0,0,0,0|1,0,0]=3 145 B5R0.5 CC(C(=O)O)Br PI-47030 [1,1,0,0,0,0|1,0,0]=3 146 B5R0.5 CC(C(=O)O)Cl PI-28351 [1,1,0,0,0,0|1,0,0]=3 147 B5R0.5 CC(C(=O)O)F PI-40363 [1,1,0,0,0,0|1,0,0]=3 148 B5R0.5 CC(C(=O)[O-])O PI-14769 [1,1,0,0,0,0|1,0,0]=3 149 B5R0.5 CN(C)C(=O)N PI-50675 [1,1,0,0,0,0|1,0,0]=3 150 B5R0.5 C[C@@H](N)C(=O)O PI-16471 [1,1,0,0,0,0|1,0,0]=3 151 B5R0.5 C[C@H](C(=N)N)O PI-48998 [1,1,0,0,0,0|2,0,0]=4 152 B5R0.5 C[C@H](C(=O)O)O PI-36770 [1,1,0,0,0,0|1,0,0]=3 153 B5R0.5 C[N+](=C(Cl)Cl)C PI-30496 [1,1,0,0,0,0|2,0,0]=4 154 B5R0.5 ClC(C(=O)[O-])Cl PI-39489 [1,1,0,0,0,0|2,0,0]=4 155 B5R0.5 N[C@@H](C)C(O)=O PI-41727 [1,1,0,0,0,0|1,0,0]=3 156 B5R0.5 OC(=O)C(=O)C PI-15477 [1,1,0,0,0,0|1,0,1]=4 157 B5R0.2 BrCCCC=C PI-39146 [1,1,0,0,0,0|2,0,0]=4 158 B5R0.2 C=COCCO PI-12735 [1,1,0,0,0,0|1,0,0]=3 159 B5R0.2 CCO\C=C\C PI-12734 [1,1,0,0,0,0|1,0,0]=3 160 B5R0.2 COCCC=O PI-45882 [1,1,0,0,0,0|1,0,0]=3 161 B5R0.2 CSCCC=O PI-45744 [1,1,0,0,0,0|1,0,0]=3 162 B5R0.2 ClCCN=C=O PI-22789 [1,1,0,0,0,0|1,0,1]=4 163 B5R0.2 O=CCCC=O PI-14232 [1,1,0,0,0,0|1,0,1]=4 164 B5R0.2 OCCCC=C PI-13243 [1,1,0,0,0,0|2,0,0]=4 165 B7R0.2 C(C(CO)N)C(=O)O PI-43547 [0,2,0,0,0,0|2,0,0]=4 166 B7R0.2 CC(=CC(=O)OC)C PI-13263 [0,2,0,0,0,0|1,0,1]=4 167 B7R0.2 CC(C)NC(=O)NN PI-50450 [0,2,0,0,0,0|1,0,0]=3 168 B7R0.2 CC(C)OC(=O)CO PI-35449 [0,2,0,0,0,0|0,0,0]=2 169 B7R0.2 CC(CC(=O)OC)N PI-42254 [0,2,0,0,0,0|2,0,0]=4 170 B7R0.2 CC(CC(=O)OC)O PI-42249 [0,2,0,0,0,0|2,0,0]=4 171 B7R0.2 CC(CC(=O)OC)O PI-42250 [0,2,0,0,0,0|2,0,0]=4 172 B7R0.2 CC(OC(=O)OC)Cl PI-49210 [0,2,0,0,0,0|1,0,0]=3 173 B7R0.2 CCC(C)NC(=O)N PI-19842 [0,2,0,0,0,0|1,0,0]=3 174 B7R0.2 CN(C)CC(=O)NN PI-50370 [0,2,0,0,0,0|2,0,0]=4 175 B7R0.2 COC(=O)CC(C)N PI-42155 [0,2,0,0,0,0|2,0,0]=4 176 B7R0.2 C[C@@H](N)CC(OC)=O PI-42154 [0,2,0,0,0,0|2,0,0]=4 177 B7R0.2 C[C@H](N)CC(OC)=O PI-42253 [0,2,0,0,0,0|2,0,0]=4 178 B7R0.2 NCC(CC(=O)O)O PI-16027 [0,2,0,0,0,0|2,0,0]=4 179 B7R0.2 NC[C@@H](CC(=O)O)O PI-22701 [0,2,0,0,0,0|2,0,0]=4 180 B7R0.2 O=C(OC(C)C)CN PI-46621 [0,2,0,0,0,0|0,0,0]=2 181 B7R0.2 OC[C@H](CC(=O)O)N PI-39557 [0,2,0,0,0,0|2,0,0]=4 182 B7R0.5 CC(C(=O)O)NC=O PI-33235 [0,2,0,0,0,0|1,0,1]=4 183 B7R0.10 OC[C@H]([C@H](C=O)O)O PI-27736 [0,2,0,0,0,0|2,0,0]=4 184 B7R0.11 CC(C)(CC=C)C=O PI-34825 [0,2,0,0,0,0|2,0,0]=4 185 B7R0.9 CC(=C)O[Si](C)(C)C PI-38837 [0,2,0,0,0,0|1,1,0]=4 186 B7R0.9 CC(=O)CC(C)(C)C PI-21968 [0,2,0,0,0,0|1,0,0]=3 187 B7R0.9 CC(=O)N[Si](C)(C)C PI-35306 [0,2,0,0,0,0|1,1,0]=4 188 B7R0.9 CC(=O)OC(C)(C)C PI-32776 [0,2,0,0,0,0|0,0,0]=2 189 B7R0.9 CC(=O)O[Si](C)(C)C PI-35315 [0,2,0,0,0,0|0,1,0]=3 190 B7R0.9 CC(C)(Br)CC(O)=O PI-46614 [0,2,0,0,0,0|1,0,0]=3 191 B7R0.9 CC(C)(C)OC(=O)N PI-43374 [0,2,0,0,0,0|0,0,0]=2 192 B7R0.9 CC(C)(CC(=O)[O-])O PI-26114 [0,2,0,0,0,0|1,0,0]=3 193 B7R0.9 CC(C)O[Si](C)(C)C PI-45124 [0,2,0,0,0,0|1,1,0]=4 194 B7R0.9 ClC(=O)CC(C)(C)C PI-11617 [0,2,0,0,0,0|1,0,0]=3 195 B7R0.9 NC(=S)NC(C)(C)C PI-23057 [0,2,0,0,0,0|1,1,0]=4 196 B7R0.9 O=C(O)C[Si](C)(C)C PI-35314 [0,2,0,0,0,0|1,1,0]=4 197 B7R0.9 OC(=O)CC(C)(C)C PI-11616 [0,2,0,0,0,0|1,0,0]=3 198 B7R0.9 [O-]C(=O)C[N+](C)(C)C PI-12795 [0,2,0,0,0,0|2,0,0]=4 199 B7R0.16 CC(C(C(=O)O)N)F PI-30663 [0,2,0,0,0,0|2,0,0]=4 200 B7R0.16 CC(C(C(=O)O)N)O PI-10276 [0,2,0,0,0,0|2,0,0]=4 201 B7R0.16 CC(C(C(=O)O)N)O PI-15755 [0,2,0,0,0,0|2,0,0]=4 202 B7R0.16 CC(C(C(=O)O)N)O PI-27180 [0,2,0,0,0,0|2,0,0]=4 203 B7R0.16 CC(C(C)N)C(=O)O PI-35160 [0,2,0,0,0,0|2,0,0]=4 204 B7R0.16 CC(C(C)N)C(=O)O PI-35161 [0,2,0,0,0,0|2,0,0]=4 205 B7R0.16 CC(C)C(=O)C(=O)[O-] PI-12948 [0,2,0,0,0,0|1,0,0]=3 206 B7R0.16 CC(C)C(=O)C(=O)[O-] PI-18612 [0,2,0,0,0,0|1,0,0]=3 207 B7R0.16 CC(C)C(C(=O)O)Br PI-22142 [0,2,0,0,0,0|1,0,0]=3 208 B7R0.16 CC(C)C(C(=O)O)Br PI-22143 [0,2,0,0,0,0|1,0,0]=3 209 B7R0.16 CC(C)C(C(=O)O)Br PI-22144 [0,2,0,0,0,0|1,0,0]=3 210 B7R0.16 C[C@@H]([C@H](C(=O)O)N)O PI-16564 [0,2,0,0,0,0|2,0,0]=4 211 B7R0.16 C[C@H](O)[C@H](N)C(=O)O PI-27434 [0,2,0,0,0,0|2,0,0]=4 212 B7R0.16 N[C@@H]([C@H](O)C)C(N)=O PI-41044 [0,2,0,0,0,0|2,0,0]=4 213 B7R0.16 N[C@H](C(C)C)C(N)=O PI-42206 [0,2,0,0,0,0|1,0,0]=3 214 B7R0.16 N[C@H](C(C)C)C(O)=O PI-16566 [0,2,0,0,0,0|1,0,0]=3 215 B7R0.16 OC(C(C)C)C(=O)O PI-27567 [0,2,0,0,0,0|1,0,0]=3 216 B7R0.6 CC(=C)COC(=O)C PI-47091 [0,2,0,0,0,0|0,0,2]=4 217 B7R0.6 CC(=O)OCC(=O)Cl PI-13657 [0,2,0,0,0,0|1,0,1]=4 218 B7R0.6 CC(=O)OCC(=O)O PI-26120 [0,2,0,0,0,0|1,0,1]=4 219 B7R0.6 CC(=O)OCC(F)F PI-21167 [0,2,0,0,0,0|2,0,0]=4 220 B7R0.6 CC(C)CCC(=O)O PI-25767 [0,2,0,0,0,0|1,0,0]=3 221 B7R0.6 CN(C)C=C[N+](=O)[O-] PI-21936 [0,2,0,0,0,0|2,0,0]=4 222 B7R0.6 C[S+](C)CCC(=O)O PI-45961 [0,2,0,0,0,0|2,0,0]=4 223 B7R0.8 C[Si](C)(C)OCC=C PI-50087 [0,2,0,0,0,0|1,1,0]=4 224 B7R0.8 O=CC#C[Si](C)(C)C PI-35351 [0,2,0,0,0,0|1,1,0]=4 225 B5R1.3 BrCC1CC1 PI-12057 [1,0,0,1,0,0|1,0,1]=4 226 B5R1.3 C#CC1CC1 PI-12107 [1,0,0,1,0,0|1,0,1]=4 227 B5R1.3 C1CC1CN PI-17835 [1,0,0,1,0,0|1,0,1]=4 228 B5R1.3 C1CC1NN PI-45737 [1,0,0,1,0,0|2,0,0]=4 229 B5R1.3 N#CC1CC1 PI-31230 [1,0,0,1,0,0|1,0,1]=4 230 B5R1.3 NCC1CC1 PI-12825 [1,0,0,1,0,0|1,0,1]=4 231 B5R1.3 NNC1CC1 PI-38386 [1,0,0,1,0,0|2,0,0]=4 232 B5R1.3 O=CC1CC1 PI-39221 [1,0,0,1,0,0|0,0,0]=2 233 B5R1.1 C1COC=C1 PI-45414 [1,0,0,1,0,0|1,0,0]=3 234 B7R1.1 C1CC(OC1)CBr PI-30089 [0,1,0,1,0,0|1,0,1]=4 235 B7R1.1 OCC1CC=CC1 PI-35499 [0,1,0,1,0,0|2,0,0]=4 236 B7R1.2 C1C(=O)COC1=O PI-17979 [0,1,0,1,0,0|1,0,1]=4 237 B7R1.2 C1C(C=CC1=O)O PI-48068 [0,1,0,1,0,0|2,0,0]=4 238 B7R1.2 C1C(CNC1=O)N PI-35851 [0,1,0,1,0,0|2,0,0]=4 239 B7R1.2 C1C(COC1=O)O PI-28663 [0,1,0,1,0,0|1,0,0]=3 240 B7R1.2 CC1COC(=O)N1 PI-35869 [0,1,0,1,0,0|1,0,0]=3 241 B7R1.2 C[C@@H]1CCC(=O)O1 PI-27751 [0,1,0,1,0,0|0,0,0]=2 242 B7R1.2 C[C@@H]1COC(=O)O1 PI-12235 [0,1,0,1,0,0|0,0,0]=2 243 B7R1.2 C[C@H]1COC(=O)N1 PI-35870 [0,1,0,1,0,0|1,0,0]=3 244 B7R1.2 C[C@H]1COC(=O)O1 PI-12953 [0,1,0,1,0,0|0,0,0]=2 245 B7R1.2 O=C1NCC(=O)O1 PI-37627 [0,1,0,1,0,0|1,0,1]=4 246 B7R1.2 O=C1OCC(O)C1 PI-12958 [0,1,0,1,0,0|1,0,0]=3 247 B7R1.2 OC1CC(=O)NC1 PI-39044 [0,1,0,1,0,0|2,0,0]=4 248 B7R1.2 O[C@@H]1CC(=O)NC1 PI-15469 [0,1,0,1,0,0|2,0,0]=4 249 B7R1.2 O[C@H]1CC(=O)NC1 PI-15470 [0,1,0,1,0,0|2,0,0]=4 250 B7R1.2 O[C@H]1CC(=O)OC1 PI-28789 [0,1,0,1,0,0|1,0,0]=3 251 B7R1.3 CC1CCOCO1 PI-47110 [0,1,0,1,0,0|0,0,2]=4 252 B7R1.3 CC1CNCCO1 PI-34764 [0,1,0,1,0,0|1,0,1]=4 253 B7R1.3 C[C@H]1CNCCO1 PI-37360 [0,1,0,1,0,0|1,0,1]=4 254 B7R1.4 CC1=C(OC=N1)C PI-35004 [0,1,0,1,0,0|1,0,1]=4 255 B7R1.4 CC1C(CCO1)S PI-14229 [0,1,0,1,0,0|1,0,1]=4 256 B7R1.10 O=C1CC(OC)C1 PI-46660 [0,1,0,1,0,0|1,0,0]=3 257 B7R1.12 C1C(C1F)C(=O)O PI-48944 [0,1,0,1,0,0|2,0,0]=4 258 B7R1.12 OC(=O)[C@H]1C[C@H]1F PI-39142 [0,1,0,1,0,0|2,0,0]=4 259 B7R1.20 OC(=O)CC1CC1 PI-13559 [0,1,0,1,0,0|1,0,0]=3