0 B5R0.5 C=C(C)C(C)O SY145959 [0,0,0,0,0,0|2,0,0]=2 1 B5R0.5 C=C(C)C(N)=O SY010261 [0,0,0,0,0,0|2,0,1]=3 2 B5R0.5 C=C(F)C(=O)Cl SY039966 [0,0,0,0,0,0|2,0,2]=4 3 B5R0.5 C=C(F)C(=O)O SY021247 [0,0,0,0,0,0|1,0,2]=3 4 B5R0.5 CC(=O)C(F)F SY013768 [0,0,0,0,0,0|3,0,0]=3 5 B5R0.5 CC(Br)C(N)=O SY106825 [0,0,0,0,0,0|2,0,0]=2 6 B5R0.5 CC(C)B(O)O SY006229 [0,0,0,0,0,0|2,0,1]=3 7 B5R0.5 CC(C)C(=N)N SY024838 [0,0,0,0,0,0|3,0,0]=3 8 B5R0.5 CC(C)C(I)I SY248412 [0,0,0,0,0,0|3,0,1]=4 9 B5R0.5 CC(C)C(N)=O SY015332 [0,0,0,0,0,0|2,0,0]=2 10 B5R0.5 CC(C)[C@H](C)N SY059202 [0,0,0,0,0,0|3,0,1]=4 11 B5R0.5 CC(N)C(=O)O SY005245 [0,0,0,0,0,0|1,0,0]=1 12 B5R0.5 CC(N)C(N)=O SY012823 [0,0,0,0,0,0|2,0,0]=2 13 B5R0.5 CC(N)C(N)=O SY027188 [0,0,0,0,0,0|2,0,0]=2 14 B5R0.5 C[C@@H](Br)C(=O)O SY102226 [0,0,0,0,0,0|1,0,0]=1 15 B5R0.5 C[C@@H](N)C(=O)O SY002277 [0,0,0,0,0,0|1,0,0]=1 16 B5R0.5 C[C@@H](N)C(N)=O SY030965 [0,0,0,0,0,0|2,0,0]=2 17 B5R0.5 C[C@@H](N)C(N)=O SY111070 [0,0,0,0,0,0|2,0,0]=2 18 B5R0.5 C[C@@H](O)C(N)=O SY022608 [0,0,0,0,0,0|1,0,0]=1 19 B5R0.5 C[C@@H](O)[C@@H](C)O SY047189 [0,0,0,0,0,0|1,0,1]=2 20 B5R0.5 C[C@H](Cl)C(=O)O SY018972 [0,0,0,0,0,0|1,0,0]=1 21 B5R0.5 C[C@H](N)C(N)=O SY031439 [0,0,0,0,0,0|2,0,0]=2 22 B5R0.5 C[C@H](O)[C@H](C)O SY057405 [0,0,0,0,0,0|1,0,1]=2 23 B5R0.5 O=C(O)C(F)Br SY040308 [0,0,0,0,0,0|2,0,0]=2 24 B5R0.5 O=C(O)C(F)Cl SY275169 [0,0,0,0,0,0|2,0,0]=2 25 B5R0.5 O=C(O)[C@@H](F)Cl SY276751 [0,0,0,0,0,0|2,0,0]=2 26 B5R0.5 O=C(O)[C@H](F)Cl SY276752 [0,0,0,0,0,0|2,0,0]=2 27 B5R0.5 OB(O)B(O)O SY026113 [0,0,0,0,0,0|3,0,1]=4 28 B4R0.1 C#CC(C)N SY022798 [1,0,0,0,0,0|2,0,1]=4 29 B4R0.1 C#CC(N)=O SY060790 [1,0,0,0,0,0|1,0,2]=4 30 B4R0.1 C=C(Br)CN SY122662 [1,0,0,0,0,0|3,0,0]=4 31 B4R0.1 C=C(Br)CN SY264242 [1,0,0,0,0,0|3,0,0]=4 32 B4R0.1 C=C(Br)CO SY043202 [1,0,0,0,0,0|2,0,0]=3 33 B4R0.1 C=C(C)CN SY018445 [1,0,0,0,0,0|3,0,0]=4 34 B4R0.1 C=C[C@H](C)N SY245785 [1,0,0,0,0,0|2,0,0]=3 35 B4R0.1 CC(=O)CN SY018511 [1,0,0,0,0,0|2,0,0]=3 36 B4R0.1 CC(C)NN SY008422 [1,0,0,0,0,0|3,0,0]=4 37 B4R0.1 CC(C)NO SY059927 [1,0,0,0,0,0|2,0,0]=3 38 B4R0.1 CC(C)ON SY019006 [1,0,0,0,0,0|3,0,0]=4 39 B4R0.1 CC(N)CBr SY268996 [1,0,0,0,0,0|2,0,1]=4 40 B4R0.1 CC(N)CF SY045872 [1,0,0,0,0,0|2,0,1]=4 41 B4R0.1 CC(S)CO SY195125 [1,0,0,0,0,0|0,1,1]=3 42 B4R0.1 CCB(O)O SY004385 [1,0,0,0,0,0|1,0,1]=3 43 B4R0.1 CCC(=N)N SY018521 [1,0,0,0,0,0|2,0,0]=3 44 B4R0.1 CCC(N)=O SY048276 [1,0,0,0,0,0|1,0,0]=2 45 B4R0.1 CCS(=O)[O-] SY005659 [1,0,0,0,0,0|1,0,1]=3 46 B4R0.1 CC[C@H](C)N SY059203 [1,0,0,0,0,0|2,0,1]=4 47 B4R0.1 CNC(N)=O SY018863 [1,0,0,0,0,0|2,0,0]=3 48 B4R0.1 COC(=N)N SY021749 [1,0,0,0,0,0|3,0,0]=4 49 B4R0.1 COC(=N)N SY023512 [1,0,0,0,0,0|3,0,0]=4 50 B4R0.1 CSC(=N)N SY001378 [1,0,0,0,0,0|3,0,0]=4 51 B4R0.1 C[C@@H](Cl)CO SY240135 [1,0,0,0,0,0|1,0,1]=3 52 B4R0.1 C[C@@H](N)CF SY044783 [1,0,0,0,0,0|2,0,1]=4 53 B4R0.1 C[C@@H](O)CN SY002691 [1,0,0,0,0,0|1,0,1]=3 54 B4R0.1 C[C@@H](O)CO SY003769 [1,0,0,0,0,0|0,0,1]=2 55 B4R0.1 C[C@H](N)CF SY044781 [1,0,0,0,0,0|2,0,1]=4 56 B4R0.1 C[C@H](O)CO SY003770 [1,0,0,0,0,0|0,0,1]=2 57 B4R0.1 C\C(Cl)=N\O SY307714 [1,0,0,0,0,0|2,0,1]=4 58 B4R0.1 C\C(N)=N\O SY011082 [1,0,0,0,0,0|2,0,1]=4 59 B4R0.1 N=C(N)CCl SY116175 [1,0,0,0,0,0|3,0,0]=4 60 B4R0.1 NC(=S)CF SY153543 [1,0,0,0,0,0|2,1,0]=4 61 B4R0.1 NCC(N)=O SY003860 [1,0,0,0,0,0|2,0,0]=3 62 B4R0.1 NCC(N)=O SY104505 [1,0,0,0,0,0|2,0,0]=3 63 B4R0.1 O=C([O-])CI SY066613 [1,0,0,0,0,0|1,0,1]=3 64 B4R0.1 ON=C(Br)Br SY007120 [1,0,0,0,0,0|3,0,0]=4 65 B6R0.3 C=C(F)C(=O)OC SY044794 [0,1,0,0,0,0|1,0,2]=4 66 B6R0.3 C=CC(=O)C(=O)O SY253275 [0,1,0,0,0,0|0,0,3]=4 67 B6R0.3 C=C[C@H](C)[C@H](C)O SY267898 [0,1,0,0,0,0|2,0,1]=4 68 B6R0.3 CC(C)C(=N)NO SY010510 [0,1,0,0,0,0|2,0,0]=3 69 B6R0.3 CC(C)C(=N)NO SY129127 [0,1,0,0,0,0|2,0,0]=3 70 B6R0.3 CC(C)C(=O)CN SY186390 [0,1,0,0,0,0|2,0,0]=3 71 B6R0.3 CC(C)C(=O)NN SY041947 [0,1,0,0,0,0|2,0,0]=3 72 B6R0.3 CC(C)C(N)CO SY006455 [0,1,0,0,0,0|2,0,1]=4 73 B6R0.3 CC(C)N(C)N=O SY264258 [0,1,0,0,0,0|3,0,0]=4 74 B6R0.3 CC(C)[C@@H](N)CO SY006320 [0,1,0,0,0,0|2,0,1]=4 75 B6R0.3 CC(C)[C@H](N)CO SY003828 [0,1,0,0,0,0|2,0,1]=4 76 B6R0.3 CCC(=O)C(=O)O SY011034 [0,1,0,0,0,0|0,0,2]=3 77 B6R0.3 CCC(=O)N(C)C SY036870 [0,1,0,0,0,0|3,0,0]=4 78 B6R0.3 CCC(Br)C(N)=O SY031102 [0,1,0,0,0,0|2,0,0]=3 79 B6R0.3 CCC(C)B(O)O SY030879 [0,1,0,0,0,0|2,0,1]=4 80 B6R0.3 CCC(N)C(=O)O SY005223 [0,1,0,0,0,0|1,0,0]=2 81 B6R0.3 CC[C@@H](Br)C(=O)O SY233332 [0,1,0,0,0,0|1,0,0]=2 82 B6R0.3 CC[C@@H](C)C(=O)O SY115833 [0,1,0,0,0,0|1,0,0]=2 83 B6R0.3 CC[C@@H](N)C(=O)O SY001956 [0,1,0,0,0,0|1,0,0]=2 84 B6R0.3 CC[C@@H](N)C(N)=O SY108293 [0,1,0,0,0,0|2,0,0]=3 85 B6R0.3 CC[C@H](Br)C(=O)O SY233336 [0,1,0,0,0,0|1,0,0]=2 86 B6R0.3 CC[C@H](N)C(=O)O SY002291 [0,1,0,0,0,0|1,0,0]=2 87 B6R0.3 CC[C@H](N)C(N)=O SY020529 [0,1,0,0,0,0|2,0,0]=3 88 B6R0.3 CC[C@H](O)C(=O)O SY066872 [0,1,0,0,0,0|0,0,0]=1 89 B6R0.3 CN(C)C(=O)CBr SY031848 [0,1,0,0,0,0|3,0,0]=4 90 B6R0.3 CN(C)C(=O)CCl SY004159 [0,1,0,0,0,0|3,0,0]=4 91 B6R0.3 CN(C)C(=O)CN SY109935 [0,1,0,0,0,0|3,0,0]=4 92 B6R0.3 CNC(C)C(=O)O SY006014 [0,1,0,0,0,0|1,0,0]=2 93 B6R0.3 CN[C@@H](C)C(=O)O SY024215 [0,1,0,0,0,0|1,0,0]=2 94 B6R0.3 CN[C@H](C)C(=O)O SY024216 [0,1,0,0,0,0|1,0,0]=2 95 B6R0.3 COC(=N)C(C)C SY274570 [0,1,0,0,0,0|2,0,0]=3 96 B6R0.3 COC(=O)C(=N)N SY123997 [0,1,0,0,0,0|2,0,1]=4 97 B6R0.3 COC(=O)C(Br)Br SY264751 [0,1,0,0,0,0|2,0,0]=3 98 B6R0.3 COC(=O)C(C)N SY008132 [0,1,0,0,0,0|1,0,0]=2 99 B6R0.3 COC(=O)[C@@H](C)N SY008138 [0,1,0,0,0,0|1,0,0]=2 100 B6R0.3 COC(=O)[C@H](C)N SY005420 [0,1,0,0,0,0|1,0,0]=2 101 B6R0.3 COC(C)C(=O)O SY034306 [0,1,0,0,0,0|0,0,0]=1 102 B6R0.3 CON(C)C(C)=O SY004033 [0,1,0,0,0,0|2,0,0]=3 103 B6R0.3 CO[C@@H](C)C(=O)O SY028415 [0,1,0,0,0,0|0,0,0]=1 104 B6R0.3 C[C@@H](CN)C(=O)O SY127503 [0,1,0,0,0,0|1,0,0]=2 105 B6R0.3 C[C@@H](CN)C(=O)O SY245999 [0,1,0,0,0,0|1,0,0]=2 106 B6R0.3 C[C@@H](O)[C@H](N)CO SY009561 [0,1,0,0,0,0|1,0,1]=3 107 B6R0.3 C[C@@H](ON)C(=O)O SY286465 [0,1,0,0,0,0|0,0,0]=1 108 B6R0.3 C[C@H](CN)C(=O)O SY020274 [0,1,0,0,0,0|1,0,0]=2 109 B6R0.3 C[C@H](CN)C(=O)O SY105716 [0,1,0,0,0,0|1,0,0]=2 110 B6R0.3 C[C@H](O)[C@@H](N)CO SY034144 [0,1,0,0,0,0|1,0,1]=3 111 B6R0.3 C[C@H](ON)C(=O)O SY286489 [0,1,0,0,0,0|0,0,0]=1 112 B6R0.3 C\C=C(\C)C(=O)O SY053021 [0,1,0,0,0,0|1,0,1]=3 113 B6R0.3 NC(=O)[C@@H](N)CO SY034139 [0,1,0,0,0,0|2,0,0]=3 114 B6R0.3 NC(CO)C(=O)O SY003812 [0,1,0,0,0,0|1,0,0]=2 115 B6R0.3 NC(CS)C(=O)O SY009625 [0,1,0,0,0,0|1,0,0]=2 116 B6R0.3 NCC(Br)C(=O)O SY297906 [0,1,0,0,0,0|1,0,0]=2 117 B6R0.3 NCC(N)C(=O)O SY017516 [0,1,0,0,0,0|1,0,0]=2 118 B6R0.3 NCC(O)C(=O)O SY007745 [0,1,0,0,0,0|0,0,0]=1 119 B6R0.3 NCC(O)C(F)F SY060649 [0,1,0,0,0,0|2,0,1]=4 120 B6R0.3 NC[C@@H](N)C(=O)O SY017514 [0,1,0,0,0,0|1,0,0]=2 121 B6R0.3 NC[C@H](N)C(=O)O SY017515 [0,1,0,0,0,0|1,0,0]=2 122 B6R0.3 NC[C@H](O)C(=O)O SY013665 [0,1,0,0,0,0|0,0,0]=1 123 B6R0.3 N[C@@H](CCl)C(=O)O SY034145 [0,1,0,0,0,0|1,0,0]=2 124 B6R0.3 N[C@@H](CO)C(=O)O SY002847 [0,1,0,0,0,0|1,0,0]=2 125 B6R0.3 N[C@@H](CS)C(=O)O SY061564 [0,1,0,0,0,0|1,0,0]=2 126 B6R0.3 N[C@H](CCl)C(=O)O SY034148 [0,1,0,0,0,0|1,0,0]=2 127 B6R0.3 N[C@H](CO)C(=O)O SY005114 [0,1,0,0,0,0|1,0,0]=2 128 B6R0.3 N[C@H](CS)C(=O)O SY033289 [0,1,0,0,0,0|1,0,0]=2 129 B6R0.3 N[C@H](CS)C(=O)O SY033653 [0,1,0,0,0,0|1,0,0]=2 130 B6R0.3 O=C(CBr)C(F)F SY248032 [0,1,0,0,0,0|3,0,0]=4 131 B6R0.3 O=C(O)C(Br)CO SY261671 [0,1,0,0,0,0|1,0,0]=2 132 B6R0.3 O=C(O)[C@@H](Br)CO SY261670 [0,1,0,0,0,0|1,0,0]=2 133 B6R0.3 OC(CBr)C(F)F SY129318 [0,1,0,0,0,0|2,0,1]=4 134 B6R0.7 CC(C)(Br)C(N)=O SY025026 [0,1,0,0,0,0|2,0,0]=3 135 B6R0.7 CC(C)(C)C(=N)N SY011893 [0,1,0,0,0,0|3,0,0]=4 136 B6R0.7 CC(C)(C)C(=O)[O-] SY011635 [0,1,0,0,0,0|1,0,1]=3 137 B6R0.7 CC(C)(C)C(=O)[O-] SY073914 [0,1,0,0,0,0|1,0,1]=3 138 B6R0.7 CC(C)(C)C(=O)[O-] SY224393 [0,1,0,0,0,0|1,0,1]=3 139 B6R0.7 CC(C)(C)C(N)=O SY037452 [0,1,0,0,0,0|2,0,0]=3 140 B6R0.7 CC(C)(C)S(N)=O SY012206 [0,1,0,0,0,0|3,0,0]=4 141 B6R0.7 CC(C)(C)[S@@](N)=O SY008236 [0,1,0,0,0,0|3,0,0]=4 142 B6R0.7 CC(C)(C)[S@](N)=O SY006657 [0,1,0,0,0,0|3,0,0]=4 143 B6R0.7 CC(C)(Cl)C(=O)Cl SY247727 [0,1,0,0,0,0|2,0,0]=3 144 B6R0.7 CC(C)(N)C(=O)O SY002590 [0,1,0,0,0,0|1,0,0]=2 145 B6R0.7 CC(C)(N)C(N)=O SY026852 [0,1,0,0,0,0|2,0,0]=3 146 B6R0.7 CC(C)(O)C(=O)O SY001526 [0,1,0,0,0,0|0,0,0]=1 147 B6R0.7 CC(C)(O)C(N)=O SY035592 [0,1,0,0,0,0|1,0,0]=2 148 B6R0.7 CC(N)C(C)(C)O SY180465 [0,1,0,0,0,0|2,0,1]=4 149 B6R0.7 CC(O)C(C)(C)N SY146666 [0,1,0,0,0,0|2,0,1]=4 150 B6R0.7 CC(O)C(F)(F)F SY024147 [0,1,0,0,0,0|2,0,1]=4 151 B6R0.7 C[C@H](O)C(F)(F)F SY262173 [0,1,0,0,0,0|2,0,1]=4 152 B6R0.7 O=C(O)C(F)(F)F SY102042 [0,1,0,0,0,0|2,0,0]=3 153 B6R0.7 O=C([O-])C(F)(F)Br SY103913 [0,1,0,0,0,0|2,0,1]=4 154 B6R0.7 O=C([O-])C(F)(F)Cl SY008049 [0,1,0,0,0,0|2,0,1]=4 155 B6R0.7 O=C([O-])C(F)(F)F SY001632 [0,1,0,0,0,0|2,0,1]=4 156 B6R0.7 O=C([O-])C(F)(F)F SY108362 [0,1,0,0,0,0|2,0,1]=4 157 B6R1.4 CC1CCC1O SY161762 [0,0,0,1,0,0|2,0,1]=4 158 B6R1.4 C[C@@H]1NC[C@H]1O SY310807 [0,0,0,1,0,0|2,0,1]=4 159 B6R1.4 O=C1CCC1Br SY234041 [0,0,0,1,0,0|2,0,0]=3 160 B6R1.4 OC1CCC1O SY301012 [0,0,0,1,0,0|1,0,1]=3 161 B6R1.11 N=C(N)C1CC1 SY018430 [0,0,0,1,0,0|3,0,0]=4 162 B6R1.11 NC(=O)C1CC1 SY018785 [0,0,0,1,0,0|2,0,0]=3 163 B6R1.11 NC(=S)C1CC1 SY083849 [0,0,0,1,0,0|2,1,0]=4 164 B6R1.11 O=C(O)[C@H]1CO1 SY289468 [0,0,0,1,0,0|0,0,0]=1 165 B6R1.11 O=S([O-])C1CC1 SY005658 [0,0,0,1,0,0|2,0,1]=4 166 B6R1.11 OB(O)C1CC1 SY004028 [0,0,0,1,0,0|2,0,1]=4 167 B6R0.2 CC(=O)NC(C)C SY107538 [0,0,0,0,0,1|2,0,0]=3 168 B6R0.2 CC(=O)OC(C)Br SY067153 [0,0,0,0,0,1|2,0,0]=3 169 B6R0.2 CC(=O)\C=C(\C)[O-] SY008855 [0,0,0,0,0,1|1,0,2]=4 170 B6R0.2 CC(=O)\C=C(\C)[O-] SY010105 [0,0,0,0,0,1|1,0,2]=4 171 B6R0.2 CC(=O)\C=C(\C)[O-] SY010217 [0,0,0,0,0,1|1,0,2]=4 172 B6R0.2 CC(=O)\C=C(\C)[O-] SY010282 [0,0,0,0,0,1|1,0,2]=4 173 B6R0.2 CC(=O)\C=C(\C)[O-] SY011804 [0,0,0,0,0,1|1,0,2]=4 174 B6R0.2 CC(=O)\C=C(\C)[O-] SY072898 [0,0,0,0,0,1|1,0,2]=4 175 B6R0.2 CC(=O)\C=C(\C)[O-] SY107884 [0,0,0,0,0,1|1,0,2]=4 176 B6R0.2 CC(C)CB(O)O SY002441 [0,0,0,0,0,1|2,0,1]=4 177 B6R0.2 CC(Cl)CC(=O)Cl SY222037 [0,0,0,0,0,1|2,0,0]=3 178 B6R0.2 CC(N)CC(=O)O SY022577 [0,0,0,0,0,1|1,0,0]=2 179 B6R0.2 CN(C)CC(=O)O SY001194 [0,0,0,0,0,1|2,0,0]=3 180 B6R0.2 CN(C)CC(=O)O SY005006 [0,0,0,0,0,1|2,0,0]=3 181 B6R0.2 C[C@@H](N)CC(=O)O SY019803 [0,0,0,0,0,1|1,0,0]=2 182 B6R0.2 C[C@@H](N)CC(=O)O SY025783 [0,0,0,0,0,1|1,0,0]=2 183 B6R0.2 C[C@@H](O)CC(=O)[O-] SY107283 [0,0,0,0,0,1|0,0,1]=2 184 B6R0.2 C[C@H](N)CC(=O)O SY022578 [0,0,0,0,0,1|1,0,0]=2 185 B6R0.2 C[C@H](N)CC(=O)O SY025782 [0,0,0,0,0,1|1,0,0]=2 186 B6R0.2 C[C@H](O)C[C@H](C)O SY066746 [0,0,0,0,0,1|1,0,1]=3 187 B6R0.2 O=C(O)CC(=O)O SY001875 [0,0,0,0,0,1|1,0,1]=3 188 B3R0.1 CCON SY009566 [2,0,0,0,0,0|2,0,0]=4 189 B3R0.1 N\C=N\O SY086195 [2,0,0,0,0,0|2,0,0]=4 190 B3R0.2 CB(O)O SY001105 [2,0,0,0,0,0|1,0,0]=3 191 B3R0.2 CC(=O)O SY001386 [2,0,0,0,0,0|0,0,0]=2 192 B3R0.2 CC(=O)O SY004125 [2,0,0,0,0,0|0,0,0]=2 193 B3R0.2 CC(=O)[O-] SY001322 [2,0,0,0,0,0|0,0,1]=3 194 B3R0.2 CC(=O)[O-] SY010327 [2,0,0,0,0,0|0,0,1]=3 195 B3R0.2 CC(=O)[O-] SY011498 [2,0,0,0,0,0|0,0,1]=3 196 B3R0.2 CC(=O)[O-] SY011745 [2,0,0,0,0,0|0,0,1]=3 197 B3R0.2 CC(=O)[O-] SY011809 [2,0,0,0,0,0|0,0,1]=3 198 B3R0.2 CC(=O)[O-] SY011846 [2,0,0,0,0,0|0,0,1]=3 199 B3R0.2 CC(=O)[O-] SY013501 [2,0,0,0,0,0|0,0,1]=3 200 B3R0.2 CC(=O)[O-] SY027391 [2,0,0,0,0,0|0,0,1]=3 201 B3R0.2 CC(=O)[O-] SY045651 [2,0,0,0,0,0|0,0,1]=3 202 B3R0.2 CC(=O)[O-] SY067119 [2,0,0,0,0,0|0,0,1]=3 203 B3R0.2 CC(=O)[O-] SY256925 [2,0,0,0,0,0|0,0,1]=3 204 B3R0.2 CC(=O)[O-] SY257453 [2,0,0,0,0,0|0,0,1]=3 205 B3R0.2 CC(C)N SY107348 [2,0,0,0,0,0|1,0,1]=4 206 B3R0.2 CS(=O)[O-] SY002584 [2,0,0,0,0,0|1,0,1]=4 207 B3R0.2 O=C([O-])[O-] SY001250 [2,0,0,0,0,0|0,0,2]=4 208 B3R0.2 O=C([O-])[O-] SY009169 [2,0,0,0,0,0|0,0,2]=4 209 B3R0.2 O=C([O-])[O-] SY011697 [2,0,0,0,0,0|0,0,2]=4 210 B3R0.2 O=C([O-])[O-] SY011713 [2,0,0,0,0,0|0,0,2]=4 211 B3R0.2 O=C([O-])[O-] SY011779 [2,0,0,0,0,0|0,0,2]=4 212 B3R0.2 O=C([O-])[O-] SY011799 [2,0,0,0,0,0|0,0,2]=4 213 B3R0.2 O=C([O-])[O-] SY011844 [2,0,0,0,0,0|0,0,2]=4 214 B3R0.2 O=C([O-])[O-] SY066643 [2,0,0,0,0,0|0,0,2]=4 215 B3R0.2 O=C([O-])[O-] SY076666 [2,0,0,0,0,0|0,0,2]=4 216 B3R0.2 O=C([O-])[O-] SY274515 [2,0,0,0,0,0|0,0,2]=4 217 B3R0.2 O=C([O-])[O-] SY288394 [2,0,0,0,0,0|0,0,2]=4 218 B3R0.2 P(C)(C)=O SY009874 [2,0,0,0,0,0|2,0,0]=4 219 B3R0.2 P(C)(C)=O SY237149 [2,0,0,0,0,0|2,0,0]=4 220 B5R0.1 C#CCC(=O)O SY040154 [1,1,0,0,0,0|0,0,1]=3 221 B5R0.1 CC#CC(C)=O SY262884 [1,1,0,0,0,0|1,0,1]=4 222 B5R0.1 CC(=O)CCN SY263173 [1,1,0,0,0,0|1,0,0]=3 223 B5R0.1 CC(=O)CCO SY002849 [1,1,0,0,0,0|1,0,0]=3 224 B5R0.1 CC(=O)NCO SY047960 [1,1,0,0,0,0|1,0,0]=3 225 B5R0.1 CC(=O)OCBr SY051438 [1,1,0,0,0,0|2,0,0]=4 226 B5R0.1 CC(=O)\C=N/O SY112549 [1,1,0,0,0,0|0,0,2]=4 227 B5R0.1 CC(C)CON SY013358 [1,1,0,0,0,0|1,0,1]=4 228 B5R0.1 CC(N)CCO SY030187 [1,1,0,0,0,0|1,0,1]=4 229 B5R0.1 CC(O)CCBr SY216789 [1,1,0,0,0,0|1,0,1]=4 230 B5R0.1 CCCB(O)O SY030878 [1,1,0,0,0,0|1,0,1]=4 231 B5R0.1 CCC[C@@H](C)O SY045083 [1,1,0,0,0,0|1,0,1]=4 232 B5R0.1 CCNC(C)=O SY016499 [1,1,0,0,0,0|1,0,0]=3 233 B5R0.1 CN(C)CC=O SY114927 [1,1,0,0,0,0|2,0,0]=4 234 B5R0.1 CNCC(=O)O SY001630 [1,1,0,0,0,0|0,0,0]=2 235 B5R0.1 CNCC(C)O SY083968 [1,1,0,0,0,0|1,0,1]=4 236 B5R0.1 CNCC(N)=O SY059741 [1,1,0,0,0,0|1,0,0]=3 237 B5R0.1 CNC[C@H](C)O SY131109 [1,1,0,0,0,0|1,0,1]=4 238 B5R0.1 COCC(=N)N SY019943 [1,1,0,0,0,0|2,0,0]=4 239 B5R0.1 COCC(C)Br SY074290 [1,1,0,0,0,0|1,0,1]=4 240 B5R0.1 COC[C@@H](C)N SY034826 [1,1,0,0,0,0|1,0,1]=4 241 B5R0.1 COC[C@@H](C)N SY056838 [1,1,0,0,0,0|1,0,1]=4 242 B5R0.1 CSCC(N)=O SY040648 [1,1,0,0,0,0|1,0,0]=3 243 B5R0.1 CSCS(C)=O SY049552 [1,1,0,0,0,0|2,0,0]=4 244 B5R0.1 C[C@@H](O)CCO SY049450 [1,1,0,0,0,0|0,0,1]=3 245 B5R0.1 C[C@H](N)CCO SY022986 [1,1,0,0,0,0|1,0,1]=4 246 B5R0.1 C\C(I)=C\CO SY246995 [1,1,0,0,0,0|1,0,1]=4 247 B5R0.1 C\C(I)=C\CO SY252919 [1,1,0,0,0,0|1,0,1]=4 248 B5R0.1 NC(=O)CCBr SY014886 [1,1,0,0,0,0|1,0,0]=3 249 B5R0.1 NCCC(N)=O SY024863 [1,1,0,0,0,0|1,0,0]=3 250 B5R0.1 NCCC(N)=O SY101590 [1,1,0,0,0,0|1,0,0]=3 251 B5R0.1 NCC[N+](=O)[O-] SY279282 [1,1,0,0,0,0|1,0,1]=4 252 B5R0.1 O=C(O)CCF SY008508 [1,1,0,0,0,0|0,0,0]=2 253 B5R0.1 O=C(O)CCO SY003982 [1,1,0,0,0,0|0,0,0]=2 254 B5R0.1 O=C(O)\C=C\Br SY026854 [1,1,0,0,0,0|0,0,2]=4 255 B5R0.1 O=[N+]([O-])CCO SY008757 [1,1,0,0,0,0|1,0,1]=4 256 B5R0.3 C#C[C@H](C)OC SY282343 [1,1,0,0,0,0|1,0,1]=4 257 B5R0.3 C=C(CO)CO SY009429 [1,1,0,0,0,0|1,0,0]=3 258 B5R0.3 C=C(OC)OC SY274566 [1,1,0,0,0,0|2,0,0]=4 259 B5R0.3 C=CC(=O)NC SY057550 [1,1,0,0,0,0|2,0,0]=4 260 B5R0.3 C=CC(C)ON SY039116 [1,1,0,0,0,0|1,0,0]=3 261 B5R0.3 C=CC(O)CO SY275096 [1,1,0,0,0,0|1,0,0]=3 262 B5R0.3 C=C[C@@H](N)CO SY211186 [1,1,0,0,0,0|2,0,0]=4 263 B5R0.3 C=C[C@H](N)CO SY101322 [1,1,0,0,0,0|2,0,0]=4 264 B5R0.3 CC[C@@H](N)CO SY049464 [1,1,0,0,0,0|1,0,1]=4 265 B5R0.3 CNC(=O)CBr SY106596 [1,1,0,0,0,0|2,0,0]=4 266 B5R0.3 CNC(=O)CCl SY003250 [1,1,0,0,0,0|2,0,0]=4 267 B5R0.3 CNC(=O)CN SY024913 [1,1,0,0,0,0|2,0,0]=4 268 B5R0.3 CNC(=O)CN SY066423 [1,1,0,0,0,0|2,0,0]=4 269 B5R0.3 CNC(=O)NC SY004507 [1,1,0,0,0,0|2,0,0]=4 270 B5R0.3 CNC(C)CO SY082195 [1,1,0,0,0,0|1,0,1]=4 271 B5R0.3 COC(=O)CN SY001589 [1,1,0,0,0,0|1,0,0]=3 272 B5R0.3 COC(=O)CO SY003097 [1,1,0,0,0,0|0,0,0]=2 273 B5R0.3 COC(C)CBr SY298794 [1,1,0,0,0,0|1,0,1]=4 274 B5R0.3 CO[C@@H](C)CN SY114788 [1,1,0,0,0,0|1,0,1]=4 275 B5R0.3 C\C(=C/I)CO SY270524 [1,1,0,0,0,0|1,0,1]=4 276 B5R0.3 NCC(F)CO SY260924 [1,1,0,0,0,0|1,0,1]=4 277 B5R0.3 NCC(O)CN SY013661 [1,1,0,0,0,0|1,0,1]=4 278 B5R0.3 NC[C@@H](O)CO SY008127 [1,1,0,0,0,0|0,0,1]=3 279 B5R0.3 NC[C@H](O)CBr SY294054 [1,1,0,0,0,0|1,0,1]=4 280 B5R0.3 NC[C@H](O)CCl SY060396 [1,1,0,0,0,0|1,0,1]=4 281 B5R0.3 NNC(=O)CO SY059283 [1,1,0,0,0,0|1,0,0]=3 282 B5R0.3 O=C(CO)CO SY038299 [1,1,0,0,0,0|0,0,0]=2 283 B5R0.3 O=CC(Br)C=O SY002049 [1,1,0,0,0,0|1,0,1]=4 284 B5R0.3 OC(CBr)CBr SY012889 [1,1,0,0,0,0|1,0,1]=4 285 B5R0.4 CC(C)(Br)C=O SY251082 [1,1,0,0,0,0|1,0,0]=3 286 B5R0.4 CC(C)(C)NO SY036171 [1,1,0,0,0,0|2,0,0]=4 287 B5R0.4 CC(C)(F)CO SY029466 [1,1,0,0,0,0|1,0,1]=4 288 B5R0.4 CC(C)(O)CBr SY236333 [1,1,0,0,0,0|1,0,1]=4 289 B5R0.4 CC(C)(O)CN SY022204 [1,1,0,0,0,0|1,0,1]=4 290 B5R0.4 CC(C)(O)CO SY107922 [1,1,0,0,0,0|0,0,1]=3 291 B5R0.4 CC(F)(F)CO SY029658 [1,1,0,0,0,0|1,0,1]=4 292 B5R0.4 CCS(=O)(=O)O SY036762 [1,1,0,0,0,0|1,0,0]=3 293 B5R0.4 CCS(N)(=O)=O SY016774 [1,1,0,0,0,0|1,0,1]=4 294 B5R0.4 NCP(=O)(O)O SY011283 [1,1,0,0,0,0|2,0,0]=4 295 B7R0.2 C=CC(=O)NC(C)C SY010883 [0,1,0,0,0,1|2,0,0]=4 296 B7R0.2 CC(C)NC(=O)CBr SY030482 [0,1,0,0,0,1|2,0,0]=4 297 B7R0.2 CC(C)NC(=O)CCl SY028776 [0,1,0,0,0,1|2,0,0]=4 298 B7R0.2 CC(C)OC(=O)CO SY022067 [0,1,0,0,0,1|1,0,0]=3 299 B7R0.2 CC(CCl)CC(=O)Cl SY027797 [0,1,0,0,0,1|2,0,0]=4 300 B7R0.2 CCC(C)CC(=O)Cl SY265619 [0,1,0,0,0,1|2,0,0]=4 301 B7R0.2 CN(C=O)CC(=O)O SY224496 [0,1,0,0,0,1|1,0,1]=4 302 B7R0.2 COC(=O)CC(=O)O SY046546 [0,1,0,0,0,1|0,0,2]=4 303 B7R0.2 COC(=O)C[C@@H](C)N SY024605 [0,1,0,0,0,1|1,0,0]=3 304 B7R0.2 COC(=O)C[C@@H](C)N SY024610 [0,1,0,0,0,1|1,0,0]=3 305 B7R0.2 COC(=O)C[C@@H](C)O SY018984 [0,1,0,0,0,1|0,0,0]=2 306 B7R0.2 COC(=O)C[C@H](C)N SY212047 [0,1,0,0,0,1|1,0,0]=3 307 B7R0.2 COC(=O)C[C@H](C)O SY018985 [0,1,0,0,0,1|0,0,0]=2 308 B7R0.2 O=C([O-])CC(O)CO SY296011 [0,1,0,0,0,1|0,0,1]=3 309 B7R0.2 O=C([O-])C[C@H](O)CO SY293279 [0,1,0,0,0,1|0,0,1]=3 310 B7R0.9 CC(=O)CC(C)(C)N SY009235 [0,1,0,0,0,1|2,0,0]=4 311 B7R0.9 CC(C)(C)OC(N)=O SY009584 [0,1,0,0,0,1|2,0,0]=4 312 B7R0.9 CC(C)(N)CC(=O)O SY013584 [0,1,0,0,0,1|1,0,0]=3 313 B7R0.9 CC(C)(N)CC(=O)O SY013645 [0,1,0,0,0,1|1,0,0]=3 314 B7R0.9 CC(C)(O)CC(=O)O SY032937 [0,1,0,0,0,1|0,0,0]=2 315 B7R0.9 CS(=O)(=O)CC(=O)O SY003200 [0,1,0,0,0,1|1,0,1]=4 316 B7R0.16 C=C(C(=O)O)C(=O)O SY285531 [0,1,0,0,0,1|1,0,1]=4 317 B7R0.16 CC(C(=O)O)C(=O)O SY006109 [0,1,0,0,0,1|1,0,1]=4 318 B7R0.16 CC(C)C(=O)C(=O)O SY005235 [0,1,0,0,0,1|1,0,0]=3 319 B7R0.16 CC(C)C(N)C(N)=O SY047906 [0,1,0,0,0,1|2,0,0]=4 320 B7R0.16 CC(C)[C@@H](Br)C(=O)O SY033749 [0,1,0,0,0,1|1,0,0]=3 321 B7R0.16 CC(C)[C@@H](N)C(=O)O SY002593 [0,1,0,0,0,1|1,0,0]=3 322 B7R0.16 CC(C)[C@@H](N)C(N)=O SY024218 [0,1,0,0,0,1|2,0,0]=4 323 B7R0.16 CC(C)[C@@H](O)C(=O)O SY041974 [0,1,0,0,0,1|1,0,0]=3 324 B7R0.16 CC(C)[C@H](N)C(=O)O SY002589 [0,1,0,0,0,1|1,0,0]=3 325 B7R0.16 CC(C)[C@H](N)C(N)=O SY024217 [0,1,0,0,0,1|2,0,0]=4 326 B7R0.16 CN(C)C(=O)C(=O)O SY050473 [0,1,0,0,0,1|2,0,0]=4 327 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O SY026984 [0,1,0,0,0,1|0,0,0]=2 328 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O SY020053 [0,1,0,0,0,1|0,0,0]=2 329 B7R0.16 C[C@@H](O)[C@H](N)C(N)=O SY034086 [0,1,0,0,0,1|1,0,0]=3 330 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O SY018620 [0,1,0,0,0,1|0,0,0]=2 331 B7R0.16 C[C@H](O)[C@H](N)C(=O)O SY024226 [0,1,0,0,0,1|0,0,0]=2 332 B7R0.16 O=C(O)C(F)C(=O)O SY157510 [0,1,0,0,0,1|1,0,1]=4 333 B7R0.5 C#CCC(N)C(=O)O SY139497 [0,2,0,0,0,0|1,0,0]=3 334 B7R0.5 C#CC[C@@H](N)C(=O)O SY105090 [0,2,0,0,0,0|1,0,0]=3 335 B7R0.5 C=CCC(C)C(=O)O SY048335 [0,2,0,0,0,0|1,0,0]=3 336 B7R0.5 C=CCC(N)C(=O)O SY052428 [0,2,0,0,0,0|1,0,0]=3 337 B7R0.5 C=CC[C@@H](N)C(=O)O SY064478 [0,2,0,0,0,0|1,0,0]=3 338 B7R0.5 C=CC[C@H](N)C(=O)O SY008709 [0,2,0,0,0,0|1,0,0]=3 339 B7R0.5 CC(=O)C(C)CCBr SY247638 [0,2,0,0,0,0|2,0,0]=4 340 B7R0.5 CC(C)C(=O)CC#N SY004538 [0,2,0,0,0,0|2,0,0]=4 341 B7R0.5 CC(C)C(=O)CCN SY263226 [0,2,0,0,0,0|2,0,0]=4 342 B7R0.5 CC(C)C(=O)OCCl SY033791 [0,2,0,0,0,0|1,0,0]=3 343 B7R0.5 CC(CCCl)C(=O)Cl SY027796 [0,2,0,0,0,0|2,0,0]=4 344 B7R0.5 CC=CC(C)C(=O)O SY254091 [0,2,0,0,0,0|1,0,0]=3 345 B7R0.5 CCCC(N)C(=O)O SY035722 [0,2,0,0,0,0|1,0,0]=3 346 B7R0.5 CCCC(O)C(N)=O SY251045 [0,2,0,0,0,0|1,0,0]=3 347 B7R0.5 CCC[C@@H](N)C(=O)O SY019949 [0,2,0,0,0,0|1,0,0]=3 348 B7R0.5 CCC[C@H](N)C(=O)O SY001938 [0,2,0,0,0,0|1,0,0]=3 349 B7R0.5 CCNC(=O)[C@H](C)N SY297093 [0,2,0,0,0,0|2,0,0]=4 350 B7R0.5 CCNC(=O)[C@H](C)N SY297094 [0,2,0,0,0,0|2,0,0]=4 351 B7R0.5 CCOC(=O)C(=O)O SY257067 [0,2,0,0,0,0|0,0,2]=4 352 B7R0.5 CCOC(=O)C(C)N SY004290 [0,2,0,0,0,0|1,0,0]=3 353 B7R0.5 CCOC(=O)[C@@H](C)N SY021480 [0,2,0,0,0,0|1,0,0]=3 354 B7R0.5 CCOC(=O)[C@@H](C)O SY030456 [0,2,0,0,0,0|0,0,0]=2 355 B7R0.5 CCOC(C)C(=O)O SY040144 [0,2,0,0,0,0|0,0,0]=2 356 B7R0.5 CNC[C@H](N)C(=O)O SY013432 [0,2,0,0,0,0|1,0,0]=3 357 B7R0.5 COCC(N)C(=O)O SY034134 [0,2,0,0,0,0|1,0,0]=3 358 B7R0.5 COC[C@@H](N)C(=O)O SY023999 [0,2,0,0,0,0|1,0,0]=3 359 B7R0.5 COC[C@H](N)C(=O)O SY114490 [0,2,0,0,0,0|1,0,0]=3 360 B7R0.5 NC(CCO)C(=O)O SY005812 [0,2,0,0,0,0|1,0,0]=3 361 B7R0.5 NCCC(N)C(=O)O SY005642 [0,2,0,0,0,0|1,0,0]=3 362 B7R0.5 NCC[C@@H](N)C(=O)O SY005641 [0,2,0,0,0,0|1,0,0]=3 363 B7R0.5 NCC[C@H](N)C(=O)O SY005640 [0,2,0,0,0,0|1,0,0]=3 364 B7R0.5 NCC[C@H](O)C(=O)O SY008713 [0,2,0,0,0,0|0,0,0]=2 365 B7R0.5 N[C@@H](CCO)C(=O)O SY005811 [0,2,0,0,0,0|1,0,0]=3 366 B7R0.5 N[C@@H](CCS)C(=O)O SY026382 [0,2,0,0,0,0|1,0,0]=3 367 B7R0.5 N[C@H](CCO)C(=O)O SY014844 [0,2,0,0,0,0|1,0,0]=3 368 B7R0.10 C=C(CBr)C(=O)OC SY009735 [0,2,0,0,0,0|1,0,1]=4 369 B7R0.10 CCC(=O)N(C)OC SY104588 [0,2,0,0,0,0|2,0,0]=4 370 B7R0.10 CC[C@@H](N)C(=O)OC SY026012 [0,2,0,0,0,0|1,0,0]=3 371 B7R0.10 CC[C@H](N)C(=O)OC SY096587 [0,2,0,0,0,0|1,0,0]=3 372 B7R0.10 COC(=O)C(Br)CO SY246714 [0,2,0,0,0,0|1,0,0]=3 373 B7R0.10 COC(=O)C(C)C=O SY238219 [0,2,0,0,0,0|0,0,1]=3 374 B7R0.10 COC(=O)C(N)CO SY005975 [0,2,0,0,0,0|1,0,0]=3 375 B7R0.10 COC(=O)C(O)CN SY029941 [0,2,0,0,0,0|0,0,0]=2 376 B7R0.10 COC(=O)C(O)CO SY265586 [0,2,0,0,0,0|0,0,0]=2 377 B7R0.10 COC(=O)[C@@H](Br)CO SY246715 [0,2,0,0,0,0|1,0,0]=3 378 B7R0.10 COC(=O)[C@@H](C)CO SY016750 [0,2,0,0,0,0|0,0,0]=2 379 B7R0.10 COC(=O)[C@@H](F)CN SY277955 [0,2,0,0,0,0|1,0,0]=3 380 B7R0.10 COC(=O)[C@@H](N)CO SY005340 [0,2,0,0,0,0|1,0,0]=3 381 B7R0.10 COC(=O)[C@@H](N)CS SY021999 [0,2,0,0,0,0|1,0,0]=3 382 B7R0.10 COC(=O)[C@@H](O)CO SY017442 [0,2,0,0,0,0|0,0,0]=2 383 B7R0.10 COC(=O)[C@H](C)CBr SY059958 [0,2,0,0,0,0|1,0,0]=3 384 B7R0.10 COC(=O)[C@H](C)CO SY031653 [0,2,0,0,0,0|0,0,0]=2 385 B7R0.10 COC(=O)[C@H](N)CO SY008009 [0,2,0,0,0,0|1,0,0]=3 386 B7R0.10 COC(=O)[C@H](N)CS SY076955 [0,2,0,0,0,0|1,0,0]=3 387 B7R0.10 COC(=O)[C@H](O)CO SY116554 [0,2,0,0,0,0|0,0,0]=2 388 B7R0.10 CON(C)C(=O)CCl SY002384 [0,2,0,0,0,0|2,0,0]=4 389 B7R0.10 NNC(=O)C(N)CO SY038029 [0,2,0,0,0,0|2,0,0]=4 390 B7R0.10 [C-]#[N+]C(C)C(=O)OC SY204645 [0,2,0,0,0,0|1,0,0]=3 391 B7R0.13 C=CC(C)(C)C(=O)O SY056888 [0,2,0,0,0,0|1,0,0]=3 392 B7R0.13 CC(=O)C(C)(C)CO SY143436 [0,2,0,0,0,0|1,0,0]=3 393 B7R0.13 CC(C)(C#N)C(=O)O SY042840 [0,2,0,0,0,0|1,0,0]=3 394 B7R0.13 CC(C)(CBr)C(=O)O SY139625 [0,2,0,0,0,0|1,0,0]=3 395 B7R0.13 CC(C)(CCl)C(=O)O SY051586 [0,2,0,0,0,0|1,0,0]=3 396 B7R0.13 CC(C)(CN)C(=O)O SY022797 [0,2,0,0,0,0|1,0,0]=3 397 B7R0.13 CC(C)(CN)C(N)=O SY021307 [0,2,0,0,0,0|2,0,0]=4 398 B7R0.13 CC(C)(CO)C(=O)O SY017233 [0,2,0,0,0,0|0,0,0]=2 399 B7R0.13 CC(N)(CO)C(=O)O SY047210 [0,2,0,0,0,0|0,0,0]=2 400 B7R0.13 CCC(C)(O)C(=O)O SY051605 [0,2,0,0,0,0|0,0,0]=2 401 B7R0.13 CC[C@@](C)(N)C(=O)O SY074815 [0,2,0,0,0,0|1,0,0]=3 402 B7R0.13 COC(C)(C)C(=O)O SY013214 [0,2,0,0,0,0|0,0,0]=2 403 B7R0.13 C[C@@](N)(CO)C(=O)O SY047311 [0,2,0,0,0,0|0,0,0]=2 404 B7R0.13 C[C@](N)(CO)C(=O)O SY047312 [0,2,0,0,0,0|0,0,0]=2 405 B7R0.13 NCC(F)(F)C(=O)O SY014725 [0,2,0,0,0,0|1,0,0]=3 406 B7R0.13 NCC(F)(F)C(=O)O SY029532 [0,2,0,0,0,0|1,0,0]=3 407 B7R0.14 CC(C)(C)C(=N)NO SY172864 [0,2,0,0,0,0|2,0,0]=4 408 B7R0.14 CC(C)(C)C(=O)NN SY011886 [0,2,0,0,0,0|2,0,0]=4 409 B7R0.14 CC(C)(C)C(=O)ON SY264617 [0,2,0,0,0,0|1,0,0]=3 410 B7R0.14 CC(C)(O)C(=O)NN SY104245 [0,2,0,0,0,0|1,0,0]=3 411 B7R0.14 CCC(=O)C(C)(C)C SY036048 [0,2,0,0,0,0|2,0,0]=4 412 B7R0.14 CNC(=O)C(C)(C)C SY263071 [0,2,0,0,0,0|2,0,0]=4 413 B7R0.14 COC(=O)C(C)(C)N SY010048 [0,2,0,0,0,0|1,0,0]=3 414 B7R0.14 COC(=O)C(C)(C)N SY031383 [0,2,0,0,0,0|1,0,0]=3 415 B7R0.15 CCC(CC)C(N)=O SY096552 [0,2,0,0,0,0|2,0,0]=4 416 B7R0.15 CCC(OC)C(=O)O SY057653 [0,2,0,0,0,0|0,0,0]=2 417 B7R0.15 CN[C@@H](CS)C(=O)O SY237929 [0,2,0,0,0,0|0,1,0]=3 418 B7R0.17 CC(C)(O)C(C)(C)O SY001866 [0,2,0,0,0,0|1,0,1]=4 419 B5R1.2 ClC1COC1 SY059296 [1,0,0,1,0,0|1,0,1]=4 420 B5R1.2 IC1COC1 SY009160 [1,0,0,1,0,0|1,0,1]=4 421 B5R1.2 NC1COC1 SY009105 [1,0,0,1,0,0|1,0,1]=4 422 B5R1.2 O=C1CNC1 SY027144 [1,0,0,1,0,0|2,0,0]=4 423 B5R1.2 O=C1COC1 SY003915 [1,0,0,1,0,0|1,0,0]=3 424 B5R1.2 OC1CNC1 SY002482 [1,0,0,1,0,0|1,0,1]=4 425 B5R1.2 OC1COC1 SY002910 [1,0,0,1,0,0|0,0,1]=3 426 B5R1.2 OC1CSC1 SY099721 [1,0,0,1,0,0|0,1,1]=4 427 B5R1.3 OC[C@@H]1CO1 SY013955 [1,0,0,1,0,0|0,0,1]=3 428 B5R1.3 OC[C@H]1CO1 SY031944 [1,0,0,1,0,0|0,0,1]=3 429 B5R1.4 C[C@@H]1O[C@H]1C SY224137 [1,0,0,1,0,0|1,0,1]=4 430 B5R1.5 CC1(O)CC1 SY022540 [1,0,0,1,0,0|1,0,1]=4 431 B5R1.5 NC1(O)CC1 SY278292 [1,0,0,1,0,0|1,0,1]=4 432 B5R1.5 O=S1(=O)CC1 SY268817 [1,0,0,1,0,0|1,0,1]=4 433 B7R1.2 CC1CCC(=O)C1 SY003033 [0,0,0,1,0,1|2,0,0]=4 434 B7R1.2 CC1CCC(=O)O1 SY011304 [0,0,0,1,0,1|2,0,0]=4 435 B7R1.2 CC1CNC(=O)C1 SY065050 [0,0,0,1,0,1|2,0,0]=4 436 B7R1.2 CC1COC(=O)N1 SY037847 [0,0,0,1,0,1|1,0,0]=3 437 B7R1.2 C[C@@H]1COC(=O)N1 SY037848 [0,0,0,1,0,1|1,0,0]=3 438 B7R1.2 C[C@@H]1COC(=O)O1 SY008770 [0,0,0,1,0,1|1,0,0]=3 439 B7R1.2 C[C@H]1COC(=O)N1 SY037849 [0,0,0,1,0,1|1,0,0]=3 440 B7R1.2 C[C@H]1COC(=O)O1 SY066861 [0,0,0,1,0,1|1,0,0]=3 441 B7R1.2 N[C@@H]1COC(=O)C1 SY033765 [0,0,0,1,0,1|1,0,0]=3 442 B7R1.2 N[C@H]1COC(=O)C1 SY033771 [0,0,0,1,0,1|1,0,0]=3 443 B7R1.2 O=C1CC(O)CN1 SY031844 [0,0,0,1,0,1|1,0,0]=3 444 B7R1.2 O=C1CCC(O)C1 SY040217 [0,0,0,1,0,1|1,0,0]=3 445 B7R1.2 O=C1COC(=O)C1 SY048546 [0,0,0,1,0,1|0,0,2]=4 446 B7R1.2 O=C1C[C@@H](O)CN1 SY030867 [0,0,0,1,0,1|1,0,0]=3 447 B7R1.2 O=C1C[C@@H](O)CO1 SY109477 [0,0,0,1,0,1|0,0,0]=2 448 B7R1.2 O=C1C[C@H](O)CN1 SY025368 [0,0,0,1,0,1|1,0,0]=3 449 B7R1.2 O=C1C[C@H](O)CO1 SY002401 [0,0,0,1,0,1|0,0,0]=2 450 B7R1.2 O=C1OCC(F)O1 SY017141 [0,0,0,1,0,1|1,0,0]=3 451 B7R1.12 CC1=CC1C(=O)O SY273475 [0,0,0,1,0,1|1,0,1]=4 452 B7R1.12 O=C(O)C1CC1F SY073271 [0,0,0,1,0,1|1,0,0]=3 453 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F SY069957 [0,0,0,1,0,1|1,0,0]=3 454 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F SY071317 [0,0,0,1,0,1|1,0,0]=3 455 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I SY263918 [0,0,0,1,0,1|1,0,0]=3 456 B7R1.12 O=C(O)[C@@H]1C[C@H]1F SY071548 [0,0,0,1,0,1|1,0,0]=3 457 B7R1.12 O=C(O)[C@H]1C[C@H]1F SY071316 [0,0,0,1,0,1|1,0,0]=3 458 B7R1.12 O=C(O)[C@H]1C[C@H]1I SY245634 [0,0,0,1,0,1|1,0,0]=3 459 B7R1.16 CC1(O)CC(=O)C1 SY297165 [0,0,0,1,0,1|1,0,0]=3 460 B7R1.16 CC1(O)CC(O)C1 SY297164 [0,0,0,1,0,1|1,0,1]=4 461 B7R1.20 O=C(Cl)CC1CC1 SY237128 [0,0,0,1,0,1|2,0,0]=4 462 B7R1.20 O=C(Cl)OC1CC1 SY248051 [0,0,0,1,0,1|2,0,0]=4 463 B7R1.4 C=C1CCOC1=O SY013907 [0,1,0,1,0,0|1,0,1]=4 464 B7R1.4 CC1CCCC1=O SY045483 [0,1,0,1,0,0|2,0,0]=4 465 B7R1.4 CC1CCOC1=O SY051660 [0,1,0,1,0,0|1,0,0]=3 466 B7R1.4 CC1OCCC1=O SY001818 [0,1,0,1,0,0|1,0,0]=3 467 B7R1.4 CC1SCCC1=O SY003998 [0,1,0,1,0,0|1,1,0]=4 468 B7R1.4 NC1CCOC1=O SY111957 [0,1,0,1,0,0|1,0,0]=3 469 B7R1.4 NC1CCSC1=O SY038927 [0,1,0,1,0,0|1,1,0]=4 470 B7R1.4 NN1CCOC1=O SY038618 [0,1,0,1,0,0|2,0,0]=4 471 B7R1.4 N[C@@H]1CCNC1=O SY034730 [0,1,0,1,0,0|2,0,0]=4 472 B7R1.4 N[C@@H]1CCOC1=O SY017502 [0,1,0,1,0,0|1,0,0]=3 473 B7R1.4 N[C@@H]1CONC1=O SY005636 [0,1,0,1,0,0|1,0,0]=3 474 B7R1.4 N[C@H]1CCNC1=O SY022467 [0,1,0,1,0,0|2,0,0]=4 475 B7R1.4 N[C@H]1CCOC1=O SY027501 [0,1,0,1,0,0|1,0,0]=3 476 B7R1.4 N[C@H]1CCOC1=O SY030497 [0,1,0,1,0,0|1,0,0]=3 477 B7R1.4 N[C@H]1COC[C@H]1O SY233968 [0,1,0,1,0,0|1,0,1]=4 478 B7R1.4 O=C1CCCC1F SY200677 [0,1,0,1,0,0|2,0,0]=4 479 B7R1.4 O=C1NCCC1Br SY067750 [0,1,0,1,0,0|2,0,0]=4 480 B7R1.4 O=C1NCCC1O SY017439 [0,1,0,1,0,0|1,0,0]=3 481 B7R1.4 O=C1NCC[C@@H]1O SY020466 [0,1,0,1,0,0|1,0,0]=3 482 B7R1.4 O=C1OCC=C1Br SY017900 [0,1,0,1,0,0|1,0,1]=4 483 B7R1.4 O=C1OCCC1Br SY001762 [0,1,0,1,0,0|1,0,0]=3 484 B7R1.4 O=C1OCCC1O SY052569 [0,1,0,1,0,0|0,0,0]=2 485 B7R1.4 O=C1OCC[C@@H]1O SY027538 [0,1,0,1,0,0|0,0,0]=2 486 B7R1.4 OC1CCCC1O SY007557 [0,1,0,1,0,0|1,0,1]=4 487 B7R1.4 OC1COCC1Br SY262931 [0,1,0,1,0,0|1,0,1]=4 488 B7R1.4 O[C@@H]1CCC[C@H]1O SY028304 [0,1,0,1,0,0|1,0,1]=4 489 B7R1.4 O[C@@H]1CNC[C@H]1O SY038177 [0,1,0,1,0,0|1,0,1]=4 490 B7R1.4 O[C@H]1CNC[C@@H]1O SY031965 [0,1,0,1,0,0|1,0,1]=4 491 B7R1.4 O[C@H]1CNC[C@H]1O SY097115 [0,1,0,1,0,0|1,0,1]=4 492 B7R1.17 O=C1CCC1(Br)Br SY283115 [0,1,0,1,0,0|2,0,0]=4 493 B7R1.18 NC(=O)C1CCC1 SY026669 [0,1,0,1,0,0|2,0,0]=4 494 B7R1.18 O=C(O)C1CCN1 SY013679 [0,1,0,1,0,0|1,0,0]=3 495 B7R1.18 O=C(O)C1CCO1 SY033341 [0,1,0,1,0,0|0,0,0]=2 496 B7R1.18 O=C(O)C1CNC1 SY002050 [0,1,0,1,0,0|1,0,0]=3 497 B7R1.18 O=C(O)C1COC1 SY008837 [0,1,0,1,0,0|0,0,0]=2 498 B7R1.18 O=C(O)[C@@H]1CCN1 SY004809 [0,1,0,1,0,0|1,0,0]=3 499 B7R1.18 O=C(O)[C@@H]1CCO1 SY269134 [0,1,0,1,0,0|0,0,0]=2 500 B7R1.18 O=C(O)[C@H]1CCN1 SY077312 [0,1,0,1,0,0|1,0,0]=3 501 B7R1.19 CC1(C(=O)O)CC1 SY003983 [0,1,0,1,0,0|1,0,0]=3 502 B7R1.19 CC1(C(N)=O)CC1 SY096633 [0,1,0,1,0,0|2,0,0]=4 503 B7R1.19 NC1(C(=O)O)CC1 SY002598 [0,1,0,1,0,0|1,0,0]=3 504 B7R1.19 NC1(C(=O)O)CC1 SY002607 [0,1,0,1,0,0|1,0,0]=3 505 B7R1.19 O=C(O)C1(F)CC1 SY058672 [0,1,0,1,0,0|1,0,0]=3 506 B7R1.19 O=C(O)C1(I)CC1 SY265152 [0,1,0,1,0,0|1,0,0]=3 507 B7R1.19 O=C(O)C1(O)CC1 SY097482 [0,1,0,1,0,0|0,0,0]=2 508 B7R1.22 C=C[C@H](O)[C@H]1CO1 SY268637 [0,1,0,1,0,0|1,0,1]=4 509 B7R1.22 COC(=O)C1CO1 SY103832 [0,1,0,1,0,0|0,0,0]=2 510 B7R1.22 COC(=O)[C@@H]1CO1 SY029486 [0,1,0,1,0,0|0,0,0]=2 511 B7R1.22 COC(=O)[C@H]1CO1 SY029485 [0,1,0,1,0,0|0,0,0]=2 512 B7R1.22 NNC(=O)C1CC1 SY046578 [0,1,0,1,0,0|2,0,0]=4 513 B7R1.22 N\C(=N/O)C1CC1 SY006492 [0,1,0,1,0,0|2,0,0]=4 514 B7R0.6 CC(=O)NCC(=O)O SY013515 [0,0,0,0,0,2|0,0,2]=4 515 B7R0.6 CC(=O)OCC(C)O SY272306 [0,0,0,0,0,2|1,0,0]=3 516 B7R0.6 CC(C)CCC(=O)O SY001693 [0,0,0,0,0,2|1,0,0]=3 517 B7R0.6 CC(Cl)CCC(=O)Cl SY027798 [0,0,0,0,0,2|2,0,0]=4 518 B7R0.6 CC(O)CCC(=O)[O-] SY159293 [0,0,0,0,0,2|0,0,1]=3 519 B7R0.6 CN(C)CCC(=O)O SY031864 [0,0,0,0,0,2|2,0,0]=4 520 B7R0.6 C[C@@H](N)CCC(=O)O SY297613 [0,0,0,0,0,2|1,0,0]=3 521 B7R0.6 C[C@H](N)CCC(=O)O SY297612 [0,0,0,0,0,2|1,0,0]=3 522 B7R0.6 O=C(O)CSC(F)F SY172606 [0,0,0,0,0,2|2,0,0]=4