0 B5R0.1 C=CCC(C)=O AMY31929 [0,0,0,0,0,0|3,0,1]=4 1 B5R0.1 C=CC[C@H](C)N AM9152 [0,0,0,0,0,0|3,0,0]=3 2 B5R0.1 C=CC[C@H](C)O AM804193 [0,0,0,0,0,0|3,0,0]=3 3 B5R0.1 CC(=O)OCCl AMY28690 [0,0,0,0,0,0|2,0,2]=4 4 B5R0.1 CC(C)=CC=O AMY42093 [0,0,0,0,0,0|1,0,1]=2 5 B5R0.1 CC(C)=CCBr AMY21882 [0,0,0,0,0,0|2,0,2]=4 6 B5R0.1 CC(C)CNN AM806328 [0,0,0,0,0,0|3,0,0]=3 7 B5R0.1 CC(C)CNN AM9787 [0,0,0,0,0,0|3,0,0]=3 8 B5R0.1 CC(C)CON AMY31434 [0,0,0,0,0,0|3,0,0]=3 9 B5R0.1 CC(C)OCCl AMY23885 [0,0,0,0,0,0|1,0,1]=2 10 B5R0.1 CC(C)\C=N\O AMY37290 [0,0,0,0,0,0|2,0,1]=3 11 B5R0.1 CCC[C@H](C)N AMY12548 [0,0,0,0,0,0|3,0,1]=4 12 B5R0.1 CCNC(C)C AMY13342 [0,0,0,0,0,0|2,0,1]=3 13 B5R0.1 CCOC(C)=N AM90190 [0,0,0,0,0,0|2,0,2]=4 14 B5R0.1 CN(C)CCBr AM84884 [0,0,0,0,0,0|3,0,1]=4 15 B5R0.1 CN(C)CCCl AM20080022 [0,0,0,0,0,0|3,0,1]=4 16 B5R0.1 CN(C)CCCl AM20100171 [0,0,0,0,0,0|3,0,1]=4 17 B5R0.1 CN(C)CCN AM20080032 [0,0,0,0,0,0|3,0,1]=4 18 B5R0.1 COC[C@@H](C)N AMY19545 [0,0,0,0,0,0|4,0,0]=4 19 B5R0.1 COC[C@H](C)O AM20100219 [0,0,0,0,0,0|4,0,0]=4 20 B5R0.1 C[C@@H](O)CCO AMY25740 [0,0,0,0,0,0|2,0,2]=4 21 B5R0.1 C[C@H](N)CCO AM84886 [0,0,0,0,0,0|2,0,2]=4 22 B5R0.1 C[C@H](N)CCO AM9719 [0,0,0,0,0,0|2,0,2]=4 23 B5R0.1 C[C@H](N)CCO AMY409 [0,0,0,0,0,0|2,0,2]=4 24 B5R0.1 C[C@H](O)CNN AM803409 [0,0,0,0,0,0|4,0,0]=4 25 B5R0.1 C\C=C\C(C)=O AMY31928 [0,0,0,0,0,0|3,0,1]=4 26 B4R0.1 C#C[C@@H](C)O AMY24232 [1,0,0,0,0,0|2,0,1]=4 27 B4R0.1 C#C[C@H](C)Br AMY12092 [1,0,0,0,0,0|2,0,1]=4 28 B4R0.1 C#C[C@H](C)N AM806670 [1,0,0,0,0,0|2,0,1]=4 29 B4R0.1 C#C[C@H](C)O AMY34392 [1,0,0,0,0,0|2,0,1]=4 30 B4R0.1 C=C(Br)C=O AMY19362 [1,0,0,0,0,0|1,0,2]=4 31 B4R0.1 C=C(C)C=O AMY28760 [1,0,0,0,0,0|0,0,2]=3 32 B4R0.1 C=C=C(C)C AMY42296 [1,0,0,0,0,0|1,0,1]=3 33 B4R0.1 C=CC(=C)C AMY37001 [1,0,0,0,0,0|1,0,2]=4 34 B4R0.1 C=C[C@H](C)Cl AMY617 [1,0,0,0,0,0|2,0,0]=3 35 B4R0.1 C=C[C@H](C)O AMY1257 [1,0,0,0,0,0|2,0,0]=3 36 B4R0.1 CC(C)=CBr AM85707 [1,0,0,0,0,0|1,0,1]=3 37 B4R0.1 CC(C)=NN AM9761 [1,0,0,0,0,0|2,0,1]=4 38 B4R0.1 CC(C)=NO AM90369 [1,0,0,0,0,0|1,0,2]=4 39 B4R0.1 CC(C)CBr AMY25783 [1,0,0,0,0,0|1,0,1]=3 40 B4R0.1 CC(C)NN AM20090002 [1,0,0,0,0,0|2,0,0]=3 41 B4R0.1 CC(C)NN AMY202003297 [1,0,0,0,0,0|2,0,0]=3 42 B4R0.1 CC(C)ON AM90376 [1,0,0,0,0,0|1,0,0]=2 43 B4R0.1 CCC(C)[O-] AMY22246 [1,0,0,0,0,0|2,0,1]=4 44 B4R0.1 CCN(C)C AMY13339 [1,0,0,0,0,0|2,0,1]=4 45 B4R0.1 CC[C@H](C)O AMY11001 [1,0,0,0,0,0|2,0,1]=4 46 B4R0.1 CN(C)C=S AMY40664 [1,0,0,0,0,0|1,1,0]=3 47 B4R0.1 CN(C)CCl AMY39211 [1,0,0,0,0,0|2,0,1]=4 48 B4R0.1 CNC(C)C AMY13353 [1,0,0,0,0,0|1,0,1]=3 49 B4R0.1 COC(Cl)Cl AMY31937 [1,0,0,0,0,0|2,0,1]=4 50 B4R0.1 C[C@@H](Cl)CO AMY21413 [1,0,0,0,0,0|1,0,2]=4 51 B4R0.1 C[C@@H](N)CN AMY3648 [1,0,0,0,0,0|2,0,1]=4 52 B4R0.1 C[C@H](Br)C#N AMY39192 [1,0,0,0,0,0|2,0,1]=4 53 B4R0.1 C[C@H](Cl)CO AMY21357 [1,0,0,0,0,0|1,0,2]=4 54 B4R0.1 C[C@H](N)C#N AM9634 [1,0,0,0,0,0|2,0,1]=4 55 B4R0.1 C[C@H](N)CN AMY3672 [1,0,0,0,0,0|2,0,1]=4 56 B4R0.1 C[C@H](N)CO AM20090557 [1,0,0,0,0,0|1,0,2]=4 57 B4R0.1 C[C@H](N)CO AM20100507 [1,0,0,0,0,0|1,0,2]=4 58 B4R0.1 C[C@H](O)CN AM20090353 [1,0,0,0,0,0|2,0,1]=4 59 B4R0.1 C[C@H](O)CN AM20100779 [1,0,0,0,0,0|2,0,1]=4 60 B4R0.1 C[C@H](O)CN AM81450 [1,0,0,0,0,0|2,0,1]=4 61 B4R0.1 O=CC(=O)O AMY40947 [1,0,0,0,0,0|2,0,1]=4 62 B4R0.1 [Li]CC(C)C AMY14929 [1,0,0,0,0,0|1,0,1]=3 63 B4R0.1 [Li][C@@H](C)CC AMY14890 [1,0,0,0,0,0|2,0,1]=4 64 B4R0.2 C#COCC AMY33551 [1,0,0,0,0,0|1,0,1]=3 65 B4R0.2 C=CCCCl AMY11185 [1,0,0,0,0,0|3,0,0]=4 66 B4R0.2 C=CCCO AMY14291 [1,0,0,0,0,0|3,0,0]=4 67 B4R0.2 C=CCNC AMY13350 [1,0,0,0,0,0|3,0,0]=4 68 B4R0.2 C=CCOC AM20100534 [1,0,0,0,0,0|3,0,0]=4 69 B4R0.2 CCCCN AMY21914 [1,0,0,0,0,0|2,0,1]=4 70 B4R0.2 CCCNN AM9771 [1,0,0,0,0,0|3,0,0]=4 71 B4R0.2 CCNCC AMY25752 [1,0,0,0,0,0|2,0,1]=4 72 B4R0.2 CCPCC AMY11725 [1,0,0,0,0,0|2,0,1]=4 73 B4R0.2 CC\C=C\Br AMY796 [1,0,0,0,0,0|2,0,0]=3 74 B4R0.2 C\C=C\CCl AMY618 [1,0,0,0,0,0|3,0,0]=4 75 B4R0.2 C\C=C\CO AMY21936 [1,0,0,0,0,0|3,0,0]=4 76 B4R0.2 [Li]CCCC AMY14790 [1,0,0,0,0,0|2,0,1]=4 77 B6R0.1 C[C@@H](CO)CCO AMY37668 [0,1,0,0,0,0|1,0,2]=4 78 B6R0.1 C[C@H](CN)CCN AMY1782 [0,1,0,0,0,0|2,0,1]=4 79 B6R0.1 C[C@H](CO)CCO AMY37676 [0,1,0,0,0,0|1,0,2]=4 80 B6R0.2 CC(=O)C=C(C)C AMY23356 [0,1,0,0,0,0|1,0,1]=3 81 B6R0.2 CC(=O)CC(C)C AMY11098 [0,1,0,0,0,0|1,0,0]=2 82 B6R0.2 CC(=O)NC(C)C AMY3785 [0,1,0,0,0,0|1,0,0]=2 83 B6R0.2 CC(=O)\C=C(\C)N AMY24718 [0,1,0,0,0,0|2,0,1]=4 84 B6R0.2 CC(=O)\C=C(\C)[O-] AMY11696 [0,1,0,0,0,0|2,0,1]=4 85 B6R0.2 CC(=O)\C=C(\C)[O-] AMY19683 [0,1,0,0,0,0|2,0,1]=4 86 B6R0.2 CC(=O)\C=C(\C)[O-] AMY41912 [0,1,0,0,0,0|2,0,1]=4 87 B6R0.2 CC(C)CB(O)O AM80872 [0,1,0,0,0,0|2,0,1]=4 88 B6R0.2 CC(C)CC(=O)O AMY40214 [0,1,0,0,0,0|1,0,0]=2 89 B6R0.2 CC(C)C[C@H](C)N AMY36830 [0,1,0,0,0,0|2,0,1]=4 90 B6R0.2 CC(C)NC(C)C AMY8971 [0,1,0,0,0,0|2,0,1]=4 91 B6R0.2 CC(C)OC(=O)Cl AMY3776 [0,1,0,0,0,0|0,0,0]=1 92 B6R0.2 CC(O)CC(=O)[O-] AMY10051 [0,1,0,0,0,0|2,0,0]=3 93 B6R0.2 CC(O)CC(=O)[O-] AMY10054 [0,1,0,0,0,0|2,0,0]=3 94 B6R0.2 CN(C)CC(=O)O AM20080064 [0,1,0,0,0,0|2,0,0]=3 95 B6R0.2 CN(C)CC(=O)O AM81799 [0,1,0,0,0,0|2,0,0]=3 96 B6R0.2 CN(C)CC(=O)[O-] AMY42162 [0,1,0,0,0,0|2,0,0]=3 97 B6R0.2 CN(C)CC(=O)[O-] AMY42163 [0,1,0,0,0,0|2,0,0]=3 98 B6R0.2 C[C@@H](O)CC(=O)O AMY24176 [0,1,0,0,0,0|2,0,0]=3 99 B6R0.2 C[C@H](N)CC(=O)O AM20100008 [0,1,0,0,0,0|2,0,0]=3 100 B6R0.2 C[C@H](N)CC(=O)O AM20100009 [0,1,0,0,0,0|2,0,0]=3 101 B6R0.2 C[C@H](N)CC(=O)O AM20100428 [0,1,0,0,0,0|2,0,0]=3 102 B6R0.2 C[C@H](N)CC(=O)O AM804090 [0,1,0,0,0,0|2,0,0]=3 103 B6R0.2 C[C@H](O)CC(=O)O AMY10050 [0,1,0,0,0,0|2,0,0]=3 104 B6R0.2 C[C@H](O)CC(=O)O AMY24175 [0,1,0,0,0,0|2,0,0]=3 105 B6R0.2 C[C@H](O)CC(=O)[O-] AM86469 [0,1,0,0,0,0|2,0,0]=3 106 B6R0.2 C[C@H](O)CC(=O)[O-] AMY10052 [0,1,0,0,0,0|2,0,0]=3 107 B6R0.2 C[C@H](O)CC(=O)[O-] AMY10055 [0,1,0,0,0,0|2,0,0]=3 108 B6R0.2 C[S+](C)CC(=O)[O-] AM90363 [0,1,0,0,0,0|2,0,0]=3 109 B6R0.2 O=C(O)CC(F)F AMY6157 [0,1,0,0,0,0|3,0,0]=4 110 B6R0.3 C=CC(=O)N(C)C AM84856 [0,1,0,0,0,0|3,0,0]=4 111 B6R0.3 CC(=O)[C@@H](C)C=O AMY6397 [0,1,0,0,0,0|2,0,1]=4 112 B6R0.3 CC(C)C(=N)NO AM803769 [0,1,0,0,0,0|2,0,1]=4 113 B6R0.3 CC(C)C(=O)NN AMY3958 [0,1,0,0,0,0|3,0,0]=4 114 B6R0.3 CC(C)[C@@H](C)CO AMY19225 [0,1,0,0,0,0|1,0,2]=4 115 B6R0.3 CC(C)[C@@H](N)CO AM20080457 [0,1,0,0,0,0|1,0,2]=4 116 B6R0.3 CC(C)[C@@H](N)CO AM20090150 [0,1,0,0,0,0|1,0,2]=4 117 B6R0.3 CC(C)[C@@H](N)CO AM20100129 [0,1,0,0,0,0|1,0,2]=4 118 B6R0.3 CC(C)[C@H](N)C#N AMY32625 [0,1,0,0,0,0|2,0,1]=4 119 B6R0.3 CC(C)\C(Cl)=N\O AMY37414 [0,1,0,0,0,0|2,0,1]=4 120 B6R0.3 CN[C@@H](C)C(C)C AMY37353 [0,1,0,0,0,0|3,0,0]=4 121 B6R0.4 C=CCOC(C)=O AMY22115 [0,1,0,0,0,0|2,0,1]=4 122 B6R0.4 CC(C)CCCO AMY39142 [0,1,0,0,0,0|1,0,2]=4 123 B6R0.4 CC(C)CON=O AMY4012 [0,1,0,0,0,0|1,0,0]=2 124 B6R0.4 CC(C)NCCCl AMY31121 [0,1,0,0,0,0|2,0,1]=4 125 B6R0.4 CC(C)OCCBr AM80879 [0,1,0,0,0,0|1,0,1]=3 126 B6R0.4 CN(C)\C=C\C=O AM20120332 [0,1,0,0,0,0|2,0,0]=3 127 B6R0.4 CNCCC(C)C AMY37348 [0,1,0,0,0,0|2,0,1]=4 128 B6R0.4 CNCCC(C)C AMY37370 [0,1,0,0,0,0|2,0,1]=4 129 B6R0.5 C#CCC(C)(C)O AM806691 [0,1,0,0,0,0|2,0,1]=4 130 B6R0.5 C=CC[Si](C)(C)C AMY7007 [0,1,0,0,0,0|2,1,0]=4 131 B6R0.5 C=CC[Si](C)(C)Cl AMY19831 [0,1,0,0,0,0|2,1,0]=4 132 B6R0.5 CC(C)(C)CC=O AM20090398 [0,1,0,0,0,0|1,0,0]=2 133 B6R0.5 CC(C)(C)CCO AM20100528 [0,1,0,0,0,0|1,0,2]=4 134 B6R0.5 CC(C)(C)N=C=S AMY23377 [0,1,0,0,0,0|1,1,1]=4 135 B6R0.5 CC(C)(C)ON=O AMY4009 [0,1,0,0,0,0|1,0,0]=2 136 B6R0.5 CC(C)(N)CCO AMY117 [0,1,0,0,0,0|1,0,2]=4 137 B6R0.5 CC(C)(O)CCN AMY42489 [0,1,0,0,0,0|2,0,1]=4 138 B6R0.5 CCO[Si](C)(C)C AMY7005 [0,1,0,0,0,0|1,1,1]=4 139 B6R0.5 CNCC(C)(C)O AM807013 [0,1,0,0,0,0|3,0,0]=4 140 B6R0.5 COCC(C)(C)O AMY9274 [0,1,0,0,0,0|3,0,0]=4 141 B6R0.5 C[Si](C)(C)\C=C\Br AMY1268 [0,1,0,0,0,0|2,1,0]=4 142 B6R1.2 CC1=CC=CO1 AMY11051 [0,0,0,1,0,0|1,0,2]=4 143 B6R1.2 CC1=NC=CO1 AMY24088 [0,0,0,1,0,0|2,0,1]=4 144 B6R1.2 CC1=NN=CO1 AM20090539 [0,0,0,1,0,0|2,0,1]=4 145 B6R1.2 CC1CCCC1 AMY21930 [0,0,0,1,0,0|2,0,1]=4 146 B6R1.2 C[C@@H]1CCNC1 AMY37511 [0,0,0,1,0,0|2,0,1]=4 147 B6R1.2 C[C@H]1CCCN1 AM20080260 [0,0,0,1,0,0|2,0,1]=4 148 B6R1.2 C[C@H]1CCCN1 AM20090040 [0,0,0,1,0,0|2,0,1]=4 149 B6R1.2 C[C@H]1CCCN1 AM20100102 [0,0,0,1,0,0|2,0,1]=4 150 B6R1.2 C[C@H]1CCCN1 AM20100445 [0,0,0,1,0,0|2,0,1]=4 151 B6R1.2 C[C@H]1CCCN1 AM20100751 [0,0,0,1,0,0|2,0,1]=4 152 B6R1.2 C[C@H]1CCCO1 AM81816 [0,0,0,1,0,0|1,0,1]=3 153 B6R1.2 C[C@H]1CCNC1 AM803039 [0,0,0,1,0,0|2,0,1]=4 154 B6R1.2 C[C@H]1CCNC1 AM803735 [0,0,0,1,0,0|2,0,1]=4 155 B6R1.2 C[C@H]1CCNC1 AMY37562 [0,0,0,1,0,0|2,0,1]=4 156 B6R1.2 NC1CC=CC1 AM20120323 [0,0,0,1,0,0|3,0,0]=4 157 B6R1.2 OC1CC=CC1 AMY9178 [0,0,0,1,0,0|3,0,0]=4 158 B6R1.2 O[C@@H]1CCCO1 AMY20193 [0,0,0,1,0,0|2,0,1]=4 159 B6R1.2 O[C@@H]1CCNO1 AMY37646 [0,0,0,1,0,0|3,0,0]=4 160 B6R1.2 O[C@H]1CCNO1 AMY37647 [0,0,0,1,0,0|3,0,0]=4 161 B6R1.3 BrCCC1CC1 AMY202003230 [0,0,0,1,0,0|2,0,1]=4 162 B6R1.3 CNCC1CC1 AM803431 [0,0,0,1,0,0|3,0,0]=4 163 B6R1.3 CNCC1CC1 AMY34463 [0,0,0,1,0,0|3,0,0]=4 164 B6R1.3 ICCC1CC1 AMY34362 [0,0,0,1,0,0|2,0,1]=4 165 B6R1.3 N#CCC1CC1 AM20100595 [0,0,0,1,0,0|2,0,1]=4 166 B6R1.3 NCCC1CC1 AMY39140 [0,0,0,1,0,0|2,0,1]=4 167 B6R1.3 NCCC1CC1 AMY4139 [0,0,0,1,0,0|2,0,1]=4 168 B6R1.3 NNCC1CC1 AM10018 [0,0,0,1,0,0|3,0,0]=4 169 B6R1.3 NNCC1CC1 AMY16104 [0,0,0,1,0,0|3,0,0]=4 170 B6R1.3 NOCC1CC1 AM90383 [0,0,0,1,0,0|3,0,0]=4 171 B6R1.3 O=CNC1CC1 AM804092 [0,0,0,1,0,0|1,0,0]=2 172 B6R1.3 OCCC1CC1 AMY3915 [0,0,0,1,0,0|1,0,2]=4 173 B6R1.3 S=C=NC1CC1 AM20080903 [0,0,0,1,0,0|1,1,1]=4 174 B6R1.5 C=C1CC(N)C1 AM84287 [0,0,0,1,0,0|3,0,0]=4 175 B6R1.5 C=C1CC(N)C1 AM84288 [0,0,0,1,0,0|3,0,0]=4 176 B6R1.5 CC1CC(=O)C1 AM806996 [0,0,0,1,0,0|1,0,0]=2 177 B6R1.5 NC1CC(=O)C1 AM20070559 [0,0,0,1,0,0|2,0,0]=3 178 B6R1.5 O=C1CC(O)C1 AMY33736 [0,0,0,1,0,0|2,0,0]=3 179 B6R1.8 CC1CC1CN AM806562 [0,0,0,1,0,0|2,0,1]=4 180 B6R1.8 CC1CC1CO AM804126 [0,0,0,1,0,0|1,0,2]=4 181 B6R1.10 CC1(C)CNC1 AMY14184 [0,0,0,1,0,0|3,0,0]=4 182 B6R1.10 CC1(C)COC1 AM20020043 [0,0,0,1,0,0|3,0,0]=4 183 B3R0.1 C=CCN AMY22118 [2,0,0,0,0,0|2,0,0]=4 184 B3R0.1 CCCO AMY11110 [2,0,0,0,0,0|0,0,2]=4 185 B3R0.1 CCNN AM10026 [2,0,0,0,0,0|2,0,0]=4 186 B3R0.1 CCNN AMY202003286 [2,0,0,0,0,0|2,0,0]=4 187 B3R0.1 CCON AM90373 [2,0,0,0,0,0|1,0,0]=3 188 B3R0.1 CNOC AM20100609 [2,0,0,0,0,0|1,0,1]=4 189 B3R0.1 C\C=C\Br AMY19968 [2,0,0,0,0,0|1,0,1]=4 190 B3R0.1 NNC=O AM9981 [2,0,0,0,0,0|2,0,0]=4 191 B3R0.2 C=C(C)Br AMY955 [2,0,0,0,0,0|1,0,1]=4 192 B3R0.2 C=C(C)[Mg+] AMY1042 [2,0,0,0,0,0|1,0,1]=4 193 B3R0.2 CC(=O)Br AMY21856 [2,0,0,0,0,0|1,0,1]=4 194 B3R0.2 CC(=O)O AMY21906 [2,0,0,0,0,0|1,0,1]=4 195 B3R0.2 CC(=O)O AMY41276 [2,0,0,0,0,0|1,0,1]=4 196 B3R0.2 CC(=O)[O-] AMY11747 [2,0,0,0,0,0|1,0,1]=4 197 B3R0.2 CC(=O)[O-] AMY1789 [2,0,0,0,0,0|1,0,1]=4 198 B3R0.2 CC(=O)[O-] AMY22485 [2,0,0,0,0,0|1,0,1]=4 199 B3R0.2 CC(=O)[O-] AMY22494 [2,0,0,0,0,0|1,0,1]=4 200 B3R0.2 CC(=O)[O-] AMY23396 [2,0,0,0,0,0|1,0,1]=4 201 B3R0.2 CC(=O)[O-] AMY23411 [2,0,0,0,0,0|1,0,1]=4 202 B3R0.2 CC(=O)[O-] AMY37172 [2,0,0,0,0,0|1,0,1]=4 203 B3R0.2 CC(=O)[O-] AMY9236 [2,0,0,0,0,0|1,0,1]=4 204 B3R0.2 CC(C)Br AMY37129 [2,0,0,0,0,0|1,0,0]=3 205 B3R0.2 CC(C)O AMY11029 [2,0,0,0,0,0|0,0,0]=2 206 B3R0.2 CC(C)[Mg+] AMY40195 [2,0,0,0,0,0|1,0,0]=3 207 B3R0.2 CC(C)[O-] AMY38606 [2,0,0,0,0,0|0,0,1]=3 208 B3R0.2 CC(C)[O-] AMY40472 [2,0,0,0,0,0|0,0,1]=3 209 B3R0.2 CP(C)C AMY19776 [2,0,0,0,0,0|1,0,1]=4 210 B3R0.2 CS(C)=O AMY14894 [2,0,0,0,0,0|1,0,0]=3 211 B3R0.2 C[PH](C)=O AM90266 [2,0,0,0,0,0|1,0,0]=3 212 B3R0.2 C[S+](C)C AMY12539 [2,0,0,0,0,0|1,0,1]=4 213 B3R0.2 C[S+](C)C AMY9344 [2,0,0,0,0,0|1,0,1]=4 214 B3R0.2 C[SiH](C)C AMY21899 [2,0,0,0,0,0|0,1,1]=4 215 B5R0.3 C=C[C@@H](O)CC AMY851 [1,1,0,0,0,0|2,0,0]=4 216 B5R0.3 C=C[C@H](N)CO AMY14650 [1,1,0,0,0,0|2,0,0]=4 217 B5R0.3 CC(CBr)CBr AMY21213 [1,1,0,0,0,0|1,0,1]=4 218 B5R0.3 CC(CI)CI AMY32062 [1,1,0,0,0,0|1,0,1]=4 219 B5R0.3 CC[C@H](C)CBr AMY28688 [1,1,0,0,0,0|1,0,1]=4 220 B5R0.3 CC[C@H](C)NN AM803011 [1,1,0,0,0,0|2,0,0]=4 221 B5R0.3 CC[C@H](C)NN AM9772 [1,1,0,0,0,0|2,0,0]=4 222 B5R0.3 CN(C=O)C=O AMY39203 [1,1,0,0,0,0|1,0,1]=4 223 B5R0.3 COC(=O)C=O AMY1633 [1,1,0,0,0,0|1,0,1]=4 224 B5R0.3 CO[C@@H](C)CN AMY21775 [1,1,0,0,0,0|0,0,1]=3 225 B5R0.3 C[C@@H](CO)CBr AMY14347 [1,1,0,0,0,0|0,0,2]=4 226 B5R0.3 O=CC(Br)C=O AM20090162 [1,1,0,0,0,0|1,0,1]=4 227 B5R0.4 C#CC(C)(C)Cl AMY19182 [1,1,0,0,0,0|1,0,1]=4 228 B5R0.4 C#CC(C)(C)F AMY30164 [1,1,0,0,0,0|1,0,1]=4 229 B5R0.4 C#CC(C)(C)N AMY19729 [1,1,0,0,0,0|1,0,1]=4 230 B5R0.4 C#CC(C)(C)O AMY3792 [1,1,0,0,0,0|1,0,1]=4 231 B5R0.4 C=CC(C)(C)O AMY3791 [1,1,0,0,0,0|1,0,0]=3 232 B5R0.4 C=C[Si](C)(C)C AMY1250 [1,1,0,0,0,0|1,1,0]=4 233 B5R0.4 CC(C)(C)C=O AMY14201 [1,1,0,0,0,0|0,0,0]=2 234 B5R0.4 CC(C)(C)CBr AMY020 [1,1,0,0,0,0|1,0,1]=4 235 B5R0.4 CC(C)(C)CCl AMY1168 [1,1,0,0,0,0|1,0,1]=4 236 B5R0.4 CC(C)(C)CI AMY25581 [1,1,0,0,0,0|1,0,1]=4 237 B5R0.4 CC(C)(C)CN AMY5183 [1,1,0,0,0,0|1,0,1]=4 238 B5R0.4 CC(C)(C)CO AMY18878 [1,1,0,0,0,0|0,0,2]=4 239 B5R0.4 CC(C)(C)NN AMY4095 [1,1,0,0,0,0|2,0,0]=4 240 B5R0.4 CC(C)(N)C#N AM20090129 [1,1,0,0,0,0|1,0,1]=4 241 B5R0.4 CC(C)(N)CN AMY14283 [1,1,0,0,0,0|1,0,1]=4 242 B5R0.4 CC(C)(N)CO AMY25550 [1,1,0,0,0,0|0,0,2]=4 243 B5R0.4 CC(C)(O)CCl AMY10400 [1,1,0,0,0,0|1,0,1]=4 244 B5R0.4 CC(C)(O)CN AM20090364 [1,1,0,0,0,0|1,0,1]=4 245 B5R0.4 CCC(C)(C)O AMY11089 [1,1,0,0,0,0|1,0,1]=4 246 B5R0.4 CCC(C)(C)[O-] AMY33539 [1,1,0,0,0,0|1,0,1]=4 247 B5R0.4 COC(C)(C)C AMY11032 [1,1,0,0,0,0|0,0,1]=3 248 B5R0.4 O=CC(F)(F)F AMY7125 [1,1,0,0,0,0|2,0,0]=4 249 B5R0.5 C=C(C)C(=O)Cl AMY25816 [1,1,0,0,0,0|0,0,2]=4 250 B5R0.5 C=C(C)C(N)=O AMY13351 [1,1,0,0,0,0|0,0,2]=4 251 B5R0.5 CC(=O)C(=O)O AMY6082 [1,1,0,0,0,0|1,0,1]=4 252 B5R0.5 CC(=O)C(=O)[O-] AMY25534 [1,1,0,0,0,0|1,0,1]=4 253 B5R0.5 CC(=O)C(=O)[O-] AMY25673 [1,1,0,0,0,0|1,0,1]=4 254 B5R0.5 CC(=O)C(=O)[O-] AMY25702 [1,1,0,0,0,0|1,0,1]=4 255 B5R0.5 CC(=O)C(C)C AMY11021 [1,1,0,0,0,0|0,0,0]=2 256 B5R0.5 CC(=O)C(F)F AMY6800 [1,1,0,0,0,0|2,0,0]=4 257 B5R0.5 CC(=O)C(O)O AMY25827 [1,1,0,0,0,0|2,0,0]=4 258 B5R0.5 CC(=O)[C@H](C)F AMY5968 [1,1,0,0,0,0|1,0,0]=3 259 B5R0.5 CC(C)B(O)O AM1192 [1,1,0,0,0,0|1,0,1]=4 260 B5R0.5 CC(C)N(C)C AMY13340 [1,1,0,0,0,0|1,0,1]=4 261 B5R0.5 CC(C)[C@@H](C)N AMY22001 [1,1,0,0,0,0|1,0,1]=4 262 B5R0.5 CC(C)[C@H](C)N AMY14243 [1,1,0,0,0,0|1,0,1]=4 263 B5R0.5 CC(C)[N+](=O)[O-] AMY25784 [1,1,0,0,0,0|1,0,0]=3 264 B5R0.5 CC(O)C(=O)[O-] AMY37027 [1,1,0,0,0,0|1,0,0]=3 265 B5R0.5 CN(C)C(=N)N AM804111 [1,1,0,0,0,0|2,0,0]=4 266 B5R0.5 C[C@H](Br)C(=O)O AM81431 [1,1,0,0,0,0|1,0,0]=3 267 B5R0.5 C[C@H](Br)C(=O)O AM81432 [1,1,0,0,0,0|1,0,0]=3 268 B5R0.5 C[C@H](Br)C(=O)O AMY21881 [1,1,0,0,0,0|1,0,0]=3 269 B5R0.5 C[C@H](Br)C(N)=O AMY7273 [1,1,0,0,0,0|1,0,0]=3 270 B5R0.5 C[C@H](Cl)C(=O)Cl AMY40167 [1,1,0,0,0,0|1,0,0]=3 271 B5R0.5 C[C@H](Cl)C(=O)O AM81429 [1,1,0,0,0,0|1,0,0]=3 272 B5R0.5 C[C@H](Cl)C(=O)O AM81430 [1,1,0,0,0,0|1,0,0]=3 273 B5R0.5 C[C@H](Cl)C(=O)O AMY4045 [1,1,0,0,0,0|1,0,0]=3 274 B5R0.5 C[C@H](F)C(=O)O AMY5967 [1,1,0,0,0,0|1,0,0]=3 275 B5R0.5 C[C@H](N)C(=O)O AM20090411 [1,1,0,0,0,0|1,0,0]=3 276 B5R0.5 C[C@H](N)C(=O)O AM20090517 [1,1,0,0,0,0|1,0,0]=3 277 B5R0.5 C[C@H](N)C(=O)O AM20100374 [1,1,0,0,0,0|1,0,0]=3 278 B5R0.5 C[C@H](N)C(N)=O AM20090503 [1,1,0,0,0,0|1,0,0]=3 279 B5R0.5 C[C@H](N)C(N)=O AM81484 [1,1,0,0,0,0|1,0,0]=3 280 B5R0.5 C[C@H](O)C(=N)N AM806558 [1,1,0,0,0,0|2,0,0]=4 281 B5R0.5 C[C@H](O)C(=O)O AM87208 [1,1,0,0,0,0|1,0,0]=3 282 B5R0.5 C[C@H](O)C(=O)[O-] AMY22237 [1,1,0,0,0,0|1,0,0]=3 283 B5R0.5 O=C(O)C(F)F AM20100014 [1,1,0,0,0,0|2,0,0]=4 284 B5R0.5 O=C([O-])C(Cl)Cl AMY37987 [1,1,0,0,0,0|2,0,0]=4 285 B5R0.5 O=C([O-])C(Cl)Cl AMY37994 [1,1,0,0,0,0|2,0,0]=4 286 B5R0.5 O=C([O-])[C@@H](F)Cl AMY7116 [1,1,0,0,0,0|2,0,0]=4 287 B5R0.2 C=CCCCBr AM20080066 [1,1,0,0,0,0|2,0,0]=4 288 B5R0.2 C=CCCCO AMY41353 [1,1,0,0,0,0|2,0,0]=4 289 B5R0.2 C=CCNC=O AMY24779 [1,1,0,0,0,0|1,0,1]=4 290 B5R0.2 CCO\C=C/Br AM806384 [1,1,0,0,0,0|1,0,0]=3 291 B5R0.2 ClCCOCCl AMY38249 [1,1,0,0,0,0|1,0,1]=4 292 B5R0.2 N#CCCC=O AMY9205 [1,1,0,0,0,0|1,0,1]=4 293 B5R0.2 O=C=NCCCl AMY23213 [1,1,0,0,0,0|1,0,1]=4 294 B5R0.2 O=CCCC=O AMY18777 [1,1,0,0,0,0|1,0,1]=4 295 B7R0.2 C#CC(=O)OC(C)C AMY7054 [0,2,0,0,0,0|0,0,0]=2 296 B7R0.2 C=CC(=O)C=C(C)C AM806643 [0,2,0,0,0,0|1,0,1]=4 297 B7R0.2 C=CC(=O)NC(C)C AM84785 [0,2,0,0,0,0|1,0,0]=3 298 B7R0.2 CC(C)OC(=O)CN AM81795 [0,2,0,0,0,0|0,0,0]=2 299 B7R0.2 CC(C)OC(=O)CO AM20100526 [0,2,0,0,0,0|0,0,0]=2 300 B7R0.2 CC[C@H](C)NC(N)=O AMY7838 [0,2,0,0,0,0|1,0,0]=3 301 B7R0.2 CC[C@H](O)CC(=O)O AM85451 [0,2,0,0,0,0|2,0,0]=4 302 B7R0.2 CN(C)CC(=O)NN AM20120575 [0,2,0,0,0,0|2,0,0]=4 303 B7R0.2 COC(=O)C[C@H](C)O AM20090811 [0,2,0,0,0,0|2,0,0]=4 304 B7R0.2 COC(=O)C[C@H](C)O AM20100049 [0,2,0,0,0,0|2,0,0]=4 305 B7R0.2 COC(=O)C[C@H](C)O AMY3321 [0,2,0,0,0,0|2,0,0]=4 306 B7R0.2 C\C(C=O)=C/N(C)C AMY28718 [0,2,0,0,0,0|2,0,0]=4 307 B7R0.2 NC[C@@H](N)CC(=O)O AMY21992 [0,2,0,0,0,0|2,0,0]=4 308 B7R0.2 NC[C@H](N)CC(=O)O AMY21991 [0,2,0,0,0,0|2,0,0]=4 309 B7R0.2 N[C@H](CO)CC(=O)O AM20080465 [0,2,0,0,0,0|2,0,0]=4 310 B7R0.5 CC(C)C(=O)OCCl AMY4056 [0,2,0,0,0,0|1,0,1]=4 311 B7R0.11 C=CCC(C)(C)C=O AM20080935 [0,2,0,0,0,0|2,0,0]=4 312 B7R0.9 CC(=O)N[Si](C)(C)C AMY42260 [0,2,0,0,0,0|1,1,0]=4 313 B7R0.9 CC(=O)OC(C)(C)C AMY11033 [0,2,0,0,0,0|0,0,0]=2 314 B7R0.9 CC(C)(C)CC(=O)O AM20080023 [0,2,0,0,0,0|1,0,0]=3 315 B7R0.9 CC(C)(C)NC(N)=S AMY11605 [0,2,0,0,0,0|1,1,0]=4 316 B7R0.9 CC(C)(C)OC(N)=O AM20100123 [0,2,0,0,0,0|0,0,0]=2 317 B7R0.9 CC(C)(N)CC(=O)O AM20100529 [0,2,0,0,0,0|1,0,0]=3 318 B7R0.9 CC(C)(N)CC(=O)O AMY115 [0,2,0,0,0,0|1,0,0]=3 319 B7R0.9 CC(C)(N)CC(N)=O AMY120 [0,2,0,0,0,0|1,0,0]=3 320 B7R0.9 CC(C)(O)CC(=O)[O-] AMY39074 [0,2,0,0,0,0|1,0,0]=3 321 B7R0.9 CC(C)CS(=O)(=O)Cl AMY3057 [0,2,0,0,0,0|2,0,0]=4 322 B7R0.9 CC(F)(F)CC(=O)O AMY6154 [0,2,0,0,0,0|2,0,0]=4 323 B7R0.9 C[N+](C)(C)CC(=O)[O-] AM90357 [0,2,0,0,0,0|2,0,0]=4 324 B7R0.9 C[N+](C)(C)CC(=O)[O-] AMY22129 [0,2,0,0,0,0|2,0,0]=4 325 B7R0.16 CC(C)C(=O)C(=O)[O-] AMY37099 [0,2,0,0,0,0|1,0,0]=3 326 B7R0.16 CC(C)[C@H](Br)C(=O)O AMY13608 [0,2,0,0,0,0|1,0,0]=3 327 B7R0.16 CC(C)[C@H](Cl)C(=O)O AM9806 [0,2,0,0,0,0|1,0,0]=3 328 B7R0.16 CC(C)[C@H](N)C(=O)O AM82362 [0,2,0,0,0,0|1,0,0]=3 329 B7R0.16 CC(C)[C@H](N)C(=O)O AM82363 [0,2,0,0,0,0|1,0,0]=3 330 B7R0.16 CC(C)[C@H](N)C(=O)O AM82364 [0,2,0,0,0,0|1,0,0]=3 331 B7R0.16 CC(C)[C@H](N)C(N)=O AM82387 [0,2,0,0,0,0|1,0,0]=3 332 B7R0.16 CC(C)[C@H](O)C(=O)O AMY22056 [0,2,0,0,0,0|1,0,0]=3 333 B7R0.16 CC(O)C(N)C(=O)O AMY25310 [0,2,0,0,0,0|2,0,0]=4 334 B7R0.16 CN(C)C(=O)C(=O)O AM20090487 [0,2,0,0,0,0|2,0,0]=4 335 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O AM20100684 [0,2,0,0,0,0|2,0,0]=4 336 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O AM82240 [0,2,0,0,0,0|2,0,0]=4 337 B7R0.16 C[C@@H](O)[C@H](N)C(N)=O AM82268 [0,2,0,0,0,0|2,0,0]=4 338 B7R0.16 C[C@H](O)[C@H](N)C(=O)O AM20090281 [0,2,0,0,0,0|2,0,0]=4 339 B7R0.16 C[C@H](O)[C@H](N)C(=O)O AM82272 [0,2,0,0,0,0|2,0,0]=4 340 B7R0.13 CC(C)C(Cl)(Cl)C=O AMY39939 [0,2,0,0,0,0|1,0,0]=3 341 B7R0.4 CC(C)CCON=O AMY3781 [0,2,0,0,0,0|1,0,0]=3 342 B7R0.6 CC(=O)OCC(=O)Cl AMY39424 [0,2,0,0,0,0|1,0,1]=4 343 B7R0.6 CC(=O)OCC(=O)O AMY3826 [0,2,0,0,0,0|1,0,1]=4 344 B7R0.6 CC(=O)\C=C\N(C)C AMY31395 [0,2,0,0,0,0|2,0,0]=4 345 B7R0.6 CC(C)C=C[N+](=O)[O-] AM806526 [0,2,0,0,0,0|1,0,0]=3 346 B7R0.6 CC(C)CCC(=O)Cl AMY33518 [0,2,0,0,0,0|1,0,0]=3 347 B7R0.6 CC(C)NCC(=O)Cl AM87903 [0,2,0,0,0,0|1,0,0]=3 348 B7R0.6 CC(C)OCC(=O)O AMY4704 [0,2,0,0,0,0|0,0,0]=2 349 B7R0.6 CN(C)CCC(=O)O AM86616 [0,2,0,0,0,0|2,0,0]=4 350 B7R0.6 CN(C)\C=C\[N+](=O)[O-] AM88106 [0,2,0,0,0,0|2,0,0]=4 351 B7R0.8 C[Si](C)(C)C#CC=O AMY15576 [0,2,0,0,0,0|1,1,0]=4 352 B5R1.2 CC1CNC1 AM20120351 [1,0,0,1,0,0|1,0,1]=4 353 B5R1.2 C[C@H]1CCN1 AM806564 [1,0,0,1,0,0|1,0,1]=4 354 B5R1.2 N[C@@H]1CCO1 AMY1804 [1,0,0,1,0,0|1,0,1]=4 355 B5R1.3 BrCC1CC1 AM90231 [1,0,0,1,0,0|1,0,1]=4 356 B5R1.3 C#CC1CC1 AM20100625 [1,0,0,1,0,0|1,0,1]=4 357 B5R1.3 C=C[C@@H]1CO1 AMY40815 [1,0,0,1,0,0|2,0,0]=4 358 B5R1.3 CNC1CC1 AM20100262 [1,0,0,1,0,0|1,0,1]=4 359 B5R1.3 CNC1CC1 AM20100622 [1,0,0,1,0,0|1,0,1]=4 360 B5R1.3 ClCC1CC1 AM20100440 [1,0,0,1,0,0|1,0,1]=4 361 B5R1.3 ICC1CC1 AMY6123 [1,0,0,1,0,0|1,0,1]=4 362 B5R1.3 N#CC1CC1 AMY3403 [1,0,0,1,0,0|1,0,1]=4 363 B5R1.3 NCC1CC1 AM61420 [1,0,0,1,0,0|1,0,1]=4 364 B5R1.3 NNC1CC1 AM10015 [1,0,0,1,0,0|2,0,0]=4 365 B5R1.3 O=CC1CC1 AM90182 [1,0,0,1,0,0|0,0,0]=2 366 B5R1.3 OCC1CC1 AM20090298 [1,0,0,1,0,0|0,0,2]=4 367 B5R1.4 CC1CC1N AM806543 [1,0,0,1,0,0|1,0,1]=4 368 B5R1.4 CC1CC1N AM806563 [1,0,0,1,0,0|1,0,1]=4 369 B5R1.4 C[C@H]1C[C@H]1F AMY5813 [1,0,0,1,0,0|1,0,1]=4 370 B5R1.1 C1=CNCC1 AMY6075 [1,0,0,1,0,0|2,0,0]=4 371 B5R1.1 C1CCOC1 AMY11079 [1,0,0,1,0,0|1,0,1]=4 372 B5R1.1 C1CCOC1 AMY14809 [1,0,0,1,0,0|1,0,1]=4 373 B5R1.1 C1CCOC1 AMY14877 [1,0,0,1,0,0|1,0,1]=4 374 B5R1.1 C1CNOC1 AM803837 [1,0,0,1,0,0|2,0,0]=4 375 B5R1.1 C1COCN1 AMY42397 [1,0,0,1,0,0|1,0,1]=4 376 B7R1.1 BrC[C@H]1CCCO1 AMY38018 [0,1,0,1,0,0|1,0,1]=4 377 B7R1.1 NC[C@H]1CCCO1 AM81808 [0,1,0,1,0,0|1,0,1]=4 378 B7R1.1 NC[C@H]1CCCO1 AM81809 [0,1,0,1,0,0|1,0,1]=4 379 B7R1.1 OCC1CC=CC1 AM20090293 [0,1,0,1,0,0|2,0,0]=4 380 B7R1.1 OC[C@@H]1CCCO1 AMY19263 [0,1,0,1,0,0|1,0,1]=4 381 B7R1.1 OC[C@H]1CCCO1 AM81815 [0,1,0,1,0,0|1,0,1]=4 382 B7R1.1 OC[C@H]1CCCO1 AMY19266 [0,1,0,1,0,0|1,0,1]=4 383 B7R1.2 CC1=CC(=O)NO1 AMY22453 [0,1,0,1,0,0|0,0,2]=4 384 B7R1.2 CC1=NC(=O)ON1 AM20080700 [0,1,0,1,0,0|1,0,1]=4 385 B7R1.2 CC1=NSC(=O)O1 AMY14827 [0,1,0,1,0,0|1,0,1]=4 386 B7R1.2 CN1CCC(=O)C1 AM20100632 [0,1,0,1,0,0|2,0,0]=4 387 B7R1.2 CN1CCC(=O)C1 AMY25051 [0,1,0,1,0,0|2,0,0]=4 388 B7R1.2 C[C@@H]1CCC(=O)N1 AMY37338 [0,1,0,1,0,0|1,0,0]=3 389 B7R1.2 C[C@@H]1CNC(=O)C1 AMY34987 [0,1,0,1,0,0|1,0,0]=3 390 B7R1.2 C[C@H]1CCC(=O)C1 AMY3874 [0,1,0,1,0,0|1,0,0]=3 391 B7R1.2 C[C@H]1CCC(=O)N1 AMY23794 [0,1,0,1,0,0|1,0,0]=3 392 B7R1.2 C[C@H]1CNC(=O)C1 AMY35747 [0,1,0,1,0,0|1,0,0]=3 393 B7R1.2 C[C@H]1CNC(=O)O1 AMY3772 [0,1,0,1,0,0|0,0,0]=2 394 B7R1.2 N[C@@H]1CNC(=O)C1 AMY34929 [0,1,0,1,0,0|2,0,0]=4 395 B7R1.2 N[C@@H]1COC(=O)C1 AMY22231 [0,1,0,1,0,0|1,0,0]=3 396 B7R1.2 N[C@H]1COC(=O)C1 AMY18836 [0,1,0,1,0,0|1,0,0]=3 397 B7R1.2 O=C1C=C[C@@H](O)C1 AMY1807 [0,1,0,1,0,0|2,0,0]=4 398 B7R1.2 O=C1CC[C@H](O)C1 AMY33737 [0,1,0,1,0,0|2,0,0]=4 399 B7R1.2 O=C1C[C@H](O)CN1 AM20090229 [0,1,0,1,0,0|2,0,0]=4 400 B7R1.2 O=C1C[C@H](O)CN1 AM20100631 [0,1,0,1,0,0|2,0,0]=4 401 B7R1.2 O=C1C[C@H](O)CN1 AMY22949 [0,1,0,1,0,0|2,0,0]=4 402 B7R1.2 O=C1C[C@H](O)CO1 AMY4221 [0,1,0,1,0,0|1,0,0]=3 403 B7R1.2 O=C1OC[C@H](Cl)O1 AMY19473 [0,1,0,1,0,0|1,0,0]=3 404 B7R1.3 C[C@@H]1CNCCO1 AMY11004 [0,1,0,1,0,0|1,0,1]=4 405 B7R1.3 C[C@H]1C=CCCO1 AMY6012 [0,1,0,1,0,0|2,0,0]=4 406 B7R1.3 C[C@H]1CNCCO1 AM20090347 [0,1,0,1,0,0|1,0,1]=4 407 B7R1.3 C[C@H]1CNCCO1 AM85055 [0,1,0,1,0,0|1,0,1]=4 408 B7R1.3 C[C@H]1CNCCO1 AMY21629 [0,1,0,1,0,0|1,0,1]=4 409 B7R1.3 C[C@H]1CNCCO1 AMY9349 [0,1,0,1,0,0|1,0,1]=4 410 B7R1.6 CCOC1CNC1 AM804015 [0,1,0,1,0,0|1,0,1]=4 411 B7R1.6 O=CC=C1COC1 AMY32069 [0,1,0,1,0,0|1,0,1]=4 412 B7R1.10 C=C1CC(CBr)C1 AM84291 [0,1,0,1,0,0|2,0,0]=4 413 B7R1.10 C=C1CC(CN)C1 AM84290 [0,1,0,1,0,0|2,0,0]=4 414 B7R1.10 C=C1CC(CO)C1 AM84289 [0,1,0,1,0,0|2,0,0]=4 415 B7R1.10 N#CC1CC(=O)C1 AM20070603 [0,1,0,1,0,0|1,0,1]=4 416 B7R1.10 O=C1CC(CBr)C1 AM85778 [0,1,0,1,0,0|1,0,0]=3 417 B7R1.10 O=C1CC(CF)C1 AM84266 [0,1,0,1,0,0|1,0,0]=3 418 B7R1.10 O=C1CC(CO)C1 AM20070600 [0,1,0,1,0,0|1,0,0]=3 419 B7R1.10 O=CC1CC(F)C1 AM85365 [0,1,0,1,0,0|2,0,0]=4 420 B7R1.22 O=CC(=O)C1CC1 AM87069 [0,1,0,1,0,0|1,0,0]=3 421 B7R1.25 C[C@]1(CO)CCO1 AMY5672 [0,1,0,1,0,0|1,0,1]=4 422 B7R1.12 CC1CC1C(=O)O AM803649 [0,1,0,1,0,0|1,0,0]=3 423 B7R1.12 CC1CC1C(N)=O AMY5644 [0,1,0,1,0,0|1,0,0]=3 424 B7R1.12 C[C@@H]1C[C@H]1C(=O)O AMY35644 [0,1,0,1,0,0|1,0,0]=3 425 B7R1.12 O=C(O)C1CC1F AMY5778 [0,1,0,1,0,0|2,0,0]=4 426 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F AMY5475 [0,1,0,1,0,0|2,0,0]=4 427 B7R1.12 O=C(O)[C@H]1C[C@@H]1F AM85620 [0,1,0,1,0,0|2,0,0]=4 428 B7R1.12 O=C(O)[C@H]1C[C@@H]1F AM85621 [0,1,0,1,0,0|2,0,0]=4 429 B7R1.12 O=C(O)[C@H]1C[C@H]1F AM85536 [0,1,0,1,0,0|2,0,0]=4 430 B7R1.12 O=C(O)[C@H]1C[C@H]1I AMY5812 [0,1,0,1,0,0|2,0,0]=4 431 B7R1.16 O=C1CC(F)(F)C1 AMY15596 [0,1,0,1,0,0|2,0,0]=4 432 B7R1.20 CC(=O)CC1CC1 AM20100099 [0,1,0,1,0,0|1,0,0]=3 433 B7R1.20 O=C(O)CC1CC1 AM20100289 [0,1,0,1,0,0|1,0,0]=3 434 B7R1.14 CC1(C)NCCO1 AMY42458 [0,1,0,1,0,0|1,0,1]=4