0 B5R0.3 C#CC(O)C#C SY263075 [0,0,0,0,0,0|2,0,2]=4 1 B5R0.3 C=C(CI)CI SY280389 [0,0,0,0,0,0|3,0,1]=4 2 B5R0.3 C=C(CO)CO SY009429 [0,0,0,0,0,0|1,0,1]=2 3 B5R0.3 C=CC(O)CO SY275096 [0,0,0,0,0,0|1,0,1]=2 4 B5R0.3 C=C[C@@H](N)CO SY211186 [0,0,0,0,0,0|2,0,1]=3 5 B5R0.3 C=C[C@H](N)CO SY101322 [0,0,0,0,0,0|2,0,1]=3 6 B5R0.3 CC(CBr)CBr SY038831 [0,0,0,0,0,0|3,0,0]=3 7 B5R0.3 CC(CI)CI SY248411 [0,0,0,0,0,0|3,0,0]=3 8 B5R0.3 CCC(Br)CC SY050135 [0,0,0,0,0,0|3,0,0]=3 9 B5R0.3 CC[C@@H](N)CO SY049464 [0,0,0,0,0,0|2,0,0]=2 10 B5R0.3 CC[C@H](N)CF SY045883 [0,0,0,0,0,0|3,0,0]=3 11 B5R0.3 CNC(C)CO SY082195 [0,0,0,0,0,0|3,0,0]=3 12 B5R0.3 COC(=O)CO SY003097 [0,0,0,0,0,0|2,0,2]=4 13 B5R0.3 COC(C)CBr SY298794 [0,0,0,0,0,0|4,0,0]=4 14 B5R0.3 CO[C@@H](C)CN SY114788 [0,0,0,0,0,0|4,0,0]=4 15 B5R0.3 C\C(=C/I)CO SY270524 [0,0,0,0,0,0|2,0,2]=4 16 B5R0.3 FCC(I)CF SY249443 [0,0,0,0,0,0|3,0,0]=3 17 B5R0.3 NCC(Br)CBr SY006726 [0,0,0,0,0,0|3,0,0]=3 18 B5R0.3 NCC(F)CO SY260924 [0,0,0,0,0,0|2,0,0]=2 19 B5R0.3 NCC(O)CN SY013661 [0,0,0,0,0,0|2,0,0]=2 20 B5R0.3 NC[C@@H](O)CO SY008127 [0,0,0,0,0,0|1,0,0]=1 21 B5R0.3 NC[C@H](O)CBr SY294054 [0,0,0,0,0,0|2,0,0]=2 22 B5R0.3 NC[C@H](O)CCl SY060396 [0,0,0,0,0,0|2,0,0]=2 23 B5R0.3 NNC(=O)CO SY059283 [0,0,0,0,0,0|2,0,2]=4 24 B5R0.3 O=C(CO)CO SY038299 [0,0,0,0,0,0|0,0,2]=2 25 B5R0.3 OC(CBr)CBr SY012889 [0,0,0,0,0,0|2,0,0]=2 26 B4R0.1 C#CC(C)N SY022798 [1,0,0,0,0,0|2,0,1]=4 27 B4R0.1 C=C(Br)CO SY043202 [1,0,0,0,0,0|1,0,2]=4 28 B4R0.1 C=C(C)CN SY018445 [1,0,0,0,0,0|2,0,1]=4 29 B4R0.1 C=C[C@H](C)N SY245785 [1,0,0,0,0,0|2,0,1]=4 30 B4R0.1 CC(=O)CN SY018511 [1,0,0,0,0,0|1,0,2]=4 31 B4R0.1 CC(C)NN SY008422 [1,0,0,0,0,0|3,0,0]=4 32 B4R0.1 CC(C)NO SY059927 [1,0,0,0,0,0|2,0,0]=3 33 B4R0.1 CC(C)ON SY019006 [1,0,0,0,0,0|3,0,0]=4 34 B4R0.1 CC(N)CBr SY268996 [1,0,0,0,0,0|2,0,0]=3 35 B4R0.1 CC(N)CF SY045872 [1,0,0,0,0,0|2,0,0]=3 36 B4R0.1 CC(S)CO SY195125 [1,0,0,0,0,0|0,1,0]=2 37 B4R0.1 CCB(O)O SY004385 [1,0,0,0,0,0|2,0,0]=3 38 B4R0.1 CC[C@H](C)N SY059203 [1,0,0,0,0,0|2,0,0]=3 39 B4R0.1 C[C@@H](Cl)CO SY240135 [1,0,0,0,0,0|1,0,0]=2 40 B4R0.1 C[C@@H](N)CF SY044783 [1,0,0,0,0,0|2,0,0]=3 41 B4R0.1 C[C@@H](O)CN SY002691 [1,0,0,0,0,0|1,0,0]=2 42 B4R0.1 C[C@@H](O)CO SY003769 [1,0,0,0,0,0|0,0,0]=1 43 B4R0.1 C[C@H](N)CF SY044781 [1,0,0,0,0,0|2,0,0]=3 44 B4R0.1 C[C@H](O)CO SY003770 [1,0,0,0,0,0|0,0,0]=1 45 B4R0.1 C\C(Cl)=N\O SY307714 [1,0,0,0,0,0|2,0,1]=4 46 B4R0.1 C\C(N)=N\O SY011082 [1,0,0,0,0,0|2,0,1]=4 47 B4R0.1 FC(F)CI SY027169 [1,0,0,0,0,0|3,0,0]=4 48 B4R0.1 NCC(F)F SY013766 [1,0,0,0,0,0|3,0,0]=4 49 B4R0.2 BrCCCI SY288042 [1,0,0,0,0,0|2,0,0]=3 50 B4R0.2 BrCOCBr SY231337 [1,0,0,0,0,0|3,0,0]=4 51 B4R0.2 C#CCCI SY026540 [1,0,0,0,0,0|2,0,1]=4 52 B4R0.2 C#CCCN SY007229 [1,0,0,0,0,0|2,0,1]=4 53 B4R0.2 C=CCCN SY036713 [1,0,0,0,0,0|2,0,1]=4 54 B4R0.2 CCCNN SY048075 [1,0,0,0,0,0|3,0,0]=4 55 B4R0.2 CCCON SY096737 [1,0,0,0,0,0|3,0,0]=4 56 B4R0.2 CNCCBr SY044997 [1,0,0,0,0,0|3,0,0]=4 57 B4R0.2 CNCCF SY122542 [1,0,0,0,0,0|3,0,0]=4 58 B4R0.2 CNCCN SY023647 [1,0,0,0,0,0|3,0,0]=4 59 B4R0.2 COCCI SY248715 [1,0,0,0,0,0|3,0,0]=4 60 B4R0.2 ClCCCI SY031611 [1,0,0,0,0,0|2,0,0]=3 61 B4R0.2 FCCCI SY025148 [1,0,0,0,0,0|2,0,0]=3 62 B4R0.2 ICCCI SY045006 [1,0,0,0,0,0|2,0,0]=3 63 B4R0.2 N#CCCO SY005485 [1,0,0,0,0,0|1,0,1]=3 64 B4R0.2 NCCCBr SY008325 [1,0,0,0,0,0|2,0,0]=3 65 B4R0.2 NCCCCl SY001694 [1,0,0,0,0,0|2,0,0]=3 66 B4R0.2 NCCCI SY154270 [1,0,0,0,0,0|2,0,0]=3 67 B4R0.2 NOCCO SY007135 [1,0,0,0,0,0|2,0,0]=3 68 B4R0.2 OCCCBr SY001898 [1,0,0,0,0,0|1,0,0]=2 69 B4R0.2 OCCCF SY033053 [1,0,0,0,0,0|1,0,0]=2 70 B4R0.2 OCCCI SY016401 [1,0,0,0,0,0|1,0,0]=2 71 B6R0.1 C=CC(O)CCC SY048915 [0,1,0,0,0,0|2,0,1]=4 72 B6R0.1 CCC(=O)COC SY190908 [0,1,0,0,0,0|1,0,2]=4 73 B6R0.1 CCCC(C)CN SY271841 [0,1,0,0,0,0|3,0,0]=4 74 B6R0.1 CCCC(O)CO SY032914 [0,1,0,0,0,0|1,0,0]=2 75 B6R0.1 CCC[C@@H](N)CF SY045881 [0,1,0,0,0,0|3,0,0]=4 76 B6R0.1 CCC[C@@H](N)CO SY038521 [0,1,0,0,0,0|2,0,0]=3 77 B6R0.1 CCC[C@H](N)CF SY045882 [0,1,0,0,0,0|3,0,0]=4 78 B6R0.1 CCC[C@H](N)CO SY017944 [0,1,0,0,0,0|2,0,0]=3 79 B6R0.1 CCOC(=O)CO SY002762 [0,1,0,0,0,0|1,0,2]=4 80 B6R0.1 CNC[C@@H](O)CO SY294795 [0,1,0,0,0,0|1,0,0]=2 81 B6R0.1 COC[C@@H](O)CN SY236677 [0,1,0,0,0,0|1,0,0]=2 82 B6R0.1 COC[C@H](O)CN SY199877 [0,1,0,0,0,0|1,0,0]=2 83 B6R0.1 N#CC[C@@H](O)CCl SY037767 [0,1,0,0,0,0|2,0,0]=3 84 B6R0.1 N#CC[C@H](O)CCl SY037768 [0,1,0,0,0,0|2,0,0]=3 85 B6R0.1 NCCC(O)CO SY260308 [0,1,0,0,0,0|1,0,0]=2 86 B6R0.1 O=CC[C@H](O)CCl SY285776 [0,1,0,0,0,0|1,0,1]=3 87 B6R0.1 OCCC(O)CO SY003295 [0,1,0,0,0,0|0,0,0]=1 88 B6R0.1 OCC[C@H](O)CO SY274042 [0,1,0,0,0,0|0,0,0]=1 89 B6R0.1 O[C@@H](CBr)CCBr SY301486 [0,1,0,0,0,0|2,0,0]=3 90 B6R0.3 C=C[C@H](C)[C@H](C)O SY267898 [0,1,0,0,0,0|2,0,1]=4 91 B6R0.3 CC(C)C(N)CF SY045876 [0,1,0,0,0,0|3,0,0]=4 92 B6R0.3 CC(C)C(N)CO SY006455 [0,1,0,0,0,0|2,0,0]=3 93 B6R0.3 CC(C)[C@@H](N)CF SY045875 [0,1,0,0,0,0|3,0,0]=4 94 B6R0.3 CC(C)[C@@H](N)CO SY006320 [0,1,0,0,0,0|2,0,0]=3 95 B6R0.3 CC(C)[C@H](N)CF SY045871 [0,1,0,0,0,0|3,0,0]=4 96 B6R0.3 CC(C)[C@H](N)CO SY003828 [0,1,0,0,0,0|2,0,0]=3 97 B6R0.3 CCC(C)B(O)O SY030879 [0,1,0,0,0,0|3,0,0]=4 98 B6R0.3 CCC(N)C(=O)O SY005223 [0,1,0,0,0,0|2,0,1]=4 99 B6R0.3 CC[C@@H](Br)C(=O)O SY233332 [0,1,0,0,0,0|2,0,1]=4 100 B6R0.3 CC[C@@H](C)C(=O)O SY115833 [0,1,0,0,0,0|2,0,1]=4 101 B6R0.3 CC[C@@H](N)C(=O)O SY001956 [0,1,0,0,0,0|2,0,1]=4 102 B6R0.3 CC[C@H](Br)C(=O)O SY233336 [0,1,0,0,0,0|2,0,1]=4 103 B6R0.3 CC[C@H](N)C(=O)O SY002291 [0,1,0,0,0,0|2,0,1]=4 104 B6R0.3 CC[C@H](O)C(=O)O SY066872 [0,1,0,0,0,0|1,0,1]=3 105 B6R0.3 C[C@@H](CN)C(=O)O SY127503 [0,1,0,0,0,0|2,0,1]=4 106 B6R0.3 C[C@@H](CN)C(=O)O SY245999 [0,1,0,0,0,0|2,0,1]=4 107 B6R0.3 C[C@@H](O)[C@H](N)CO SY009561 [0,1,0,0,0,0|1,0,0]=2 108 B6R0.3 C[C@H](CN)C(=O)O SY020274 [0,1,0,0,0,0|2,0,1]=4 109 B6R0.3 C[C@H](CN)C(=O)O SY105716 [0,1,0,0,0,0|2,0,1]=4 110 B6R0.3 C[C@H](O)[C@@H](N)CO SY034144 [0,1,0,0,0,0|1,0,0]=2 111 B6R0.3 NC(=O)[C@@H](N)CO SY034139 [0,1,0,0,0,0|1,0,2]=4 112 B6R0.3 NC(CO)C(=O)O SY003812 [0,1,0,0,0,0|1,0,1]=3 113 B6R0.3 NC(CS)C(=O)O SY009625 [0,1,0,0,0,0|1,1,1]=4 114 B6R0.3 NCC(Br)C(=O)O SY297906 [0,1,0,0,0,0|2,0,1]=4 115 B6R0.3 NCC(N)C(=O)O SY017516 [0,1,0,0,0,0|2,0,1]=4 116 B6R0.3 NCC(O)C(=O)O SY007745 [0,1,0,0,0,0|1,0,1]=3 117 B6R0.3 NCC(O)C(F)F SY060649 [0,1,0,0,0,0|2,0,0]=3 118 B6R0.3 NC[C@@H](N)C(=O)O SY017514 [0,1,0,0,0,0|2,0,1]=4 119 B6R0.3 NC[C@H](N)C(=O)O SY017515 [0,1,0,0,0,0|2,0,1]=4 120 B6R0.3 NC[C@H](O)C(=O)O SY013665 [0,1,0,0,0,0|1,0,1]=3 121 B6R0.3 N[C@@H](CCl)C(=O)O SY034145 [0,1,0,0,0,0|2,0,1]=4 122 B6R0.3 N[C@@H](CO)C(=O)O SY002847 [0,1,0,0,0,0|1,0,1]=3 123 B6R0.3 N[C@@H](CS)C(=O)O SY061564 [0,1,0,0,0,0|1,1,1]=4 124 B6R0.3 N[C@H](CCl)C(=O)O SY034148 [0,1,0,0,0,0|2,0,1]=4 125 B6R0.3 N[C@H](CO)C(=O)O SY005114 [0,1,0,0,0,0|1,0,1]=3 126 B6R0.3 N[C@H](CS)C(=O)O SY033289 [0,1,0,0,0,0|1,1,1]=4 127 B6R0.3 N[C@H](CS)C(=O)O SY033653 [0,1,0,0,0,0|1,1,1]=4 128 B6R0.3 O=C(O)C(Br)CO SY261671 [0,1,0,0,0,0|1,0,1]=3 129 B6R0.3 O=C(O)[C@@H](Br)CO SY261670 [0,1,0,0,0,0|1,0,1]=3 130 B6R0.3 OC(CBr)C(F)F SY129318 [0,1,0,0,0,0|2,0,0]=3 131 B6R0.8 C=CC(C)(O)CBr SY266264 [0,1,0,0,0,0|2,0,1]=4 132 B6R0.8 CC(C)(C#N)CO SY045527 [0,1,0,0,0,0|2,0,1]=4 133 B6R0.8 CC(C)(C=O)CO SY107563 [0,1,0,0,0,0|1,0,2]=4 134 B6R0.8 CC(C)(CBr)CBr SY038454 [0,1,0,0,0,0|3,0,0]=4 135 B6R0.8 CC(C)(CN)CF SY276712 [0,1,0,0,0,0|3,0,0]=4 136 B6R0.8 CC(C)(CO)CBr SY039504 [0,1,0,0,0,0|2,0,0]=3 137 B6R0.8 CC(O)(CO)CO SY224166 [0,1,0,0,0,0|0,0,0]=1 138 B6R0.8 CNC(C)(C)CO SY033902 [0,1,0,0,0,0|3,0,0]=4 139 B6R0.8 COC(C)(C)CO SY162215 [0,1,0,0,0,0|3,0,0]=4 140 B6R0.8 NCC(F)(F)CO SY031111 [0,1,0,0,0,0|2,0,0]=3 141 B6R0.8 OCC(F)(F)CO SY026989 [0,1,0,0,0,0|1,0,0]=2 142 B6R0.9 CCC(C#N)CC SY059782 [0,1,0,0,0,0|3,0,0]=4 143 B6R0.9 CCC(CC)NC SY023477 [0,1,0,0,0,0|3,0,0]=4 144 B6R0.9 COC(CO)OC SY122147 [0,1,0,0,0,0|2,0,0]=3 145 B6R0.9 OCC(CO)CO SY026482 [0,1,0,0,0,0|0,0,0]=1 146 B6R1.2 C[C@@H]1CCNC1 SY097390 [0,0,0,1,0,0|3,0,0]=4 147 B6R1.2 C[C@H]1CCNC1 SY097402 [0,0,0,1,0,0|3,0,0]=4 148 B6R1.2 ClC1CCOC1 SY185690 [0,0,0,1,0,0|2,0,0]=3 149 B6R1.2 Cl[C@@H]1CCNC1 SY281534 [0,0,0,1,0,0|3,0,0]=4 150 B6R1.2 FC1CCNC1 SY032538 [0,0,0,1,0,0|3,0,0]=4 151 B6R1.2 F[C@@H]1CCNC1 SY008511 [0,0,0,1,0,0|3,0,0]=4 152 B6R1.2 F[C@H]1CCNC1 SY008512 [0,0,0,1,0,0|3,0,0]=4 153 B6R1.2 IC1CCCC1 SY019127 [0,0,0,1,0,0|3,0,0]=4 154 B6R1.2 IC1CCOC1 SY042009 [0,0,0,1,0,0|2,0,0]=3 155 B6R1.2 NC1CC=CC1 SY019807 [0,0,0,1,0,0|3,0,0]=4 156 B6R1.2 NC1CCNC1 SY005919 [0,0,0,1,0,0|3,0,0]=4 157 B6R1.2 NC1CCOC1 SY003277 [0,0,0,1,0,0|2,0,0]=3 158 B6R1.2 NC1CCOC1 SY042059 [0,0,0,1,0,0|2,0,0]=3 159 B6R1.2 N[C@@H]1CCOC1 SY020665 [0,0,0,1,0,0|2,0,0]=3 160 B6R1.2 N[C@@H]1CCOC1 SY024464 [0,0,0,1,0,0|2,0,0]=3 161 B6R1.2 N[C@H]1CCNC1 SY057131 [0,0,0,1,0,0|3,0,0]=4 162 B6R1.2 N[C@H]1CCOC1 SY020664 [0,0,0,1,0,0|2,0,0]=3 163 B6R1.2 N[C@H]1CCOC1 SY024406 [0,0,0,1,0,0|2,0,0]=3 164 B6R1.2 O=C1CCOC1 SY003100 [0,0,0,1,0,0|1,0,2]=4 165 B6R1.2 OC1CC=CC1 SY007884 [0,0,0,1,0,0|2,0,0]=3 166 B6R1.2 OC1CCCO1 SY016132 [0,0,0,1,0,0|3,0,0]=4 167 B6R1.2 OC1CCNC1 SY001203 [0,0,0,1,0,0|2,0,0]=3 168 B6R1.2 OC1CCNC1 SY003143 [0,0,0,1,0,0|2,0,0]=3 169 B6R1.2 OC1CCOC1 SY003288 [0,0,0,1,0,0|1,0,0]=2 170 B6R1.2 OC1CCSC1 SY185762 [0,0,0,1,0,0|1,1,0]=3 171 B6R1.2 O[C@@H]1CCNC1 SY003191 [0,0,0,1,0,0|2,0,0]=3 172 B6R1.2 O[C@@H]1CCNC1 SY018523 [0,0,0,1,0,0|2,0,0]=3 173 B6R1.2 O[C@@H]1CCOC1 SY016904 [0,0,0,1,0,0|1,0,0]=2 174 B6R1.2 O[C@@H]1CNOC1 SY021787 [0,0,0,1,0,0|1,0,0]=2 175 B6R1.2 O[C@H]1CCNC1 SY003190 [0,0,0,1,0,0|2,0,0]=3 176 B6R1.2 O[C@H]1CCNC1 SY007382 [0,0,0,1,0,0|2,0,0]=3 177 B6R1.2 O[C@H]1CCOC1 SY003096 [0,0,0,1,0,0|1,0,0]=2 178 B6R1.2 O[C@H]1CNOC1 SY021785 [0,0,0,1,0,0|1,0,0]=2 179 B6R1.4 CC1CCC1O SY161762 [0,0,0,1,0,0|2,0,0]=3 180 B6R1.4 C[C@@H]1NC[C@@H]1F SY310794 [0,0,0,1,0,0|3,0,0]=4 181 B6R1.4 C[C@@H]1NC[C@H]1F SY310804 [0,0,0,1,0,0|3,0,0]=4 182 B6R1.4 C[C@@H]1NC[C@H]1O SY310807 [0,0,0,1,0,0|2,0,0]=3 183 B6R1.4 OC1CCC1O SY301012 [0,0,0,1,0,0|1,0,0]=2 184 B6R1.6 BrCC1CNC1 SY267476 [0,0,0,1,0,0|3,0,0]=4 185 B6R1.6 BrCC1COC1 SY059797 [0,0,0,1,0,0|2,0,0]=3 186 B6R1.6 C#CC1CCO1 SY284813 [0,0,0,1,0,0|2,0,1]=4 187 B6R1.6 C#CC1COC1 SY234079 [0,0,0,1,0,0|2,0,1]=4 188 B6R1.6 CNC1COC1 SY047195 [0,0,0,1,0,0|3,0,0]=4 189 B6R1.6 FCC1CNC1 SY127600 [0,0,0,1,0,0|3,0,0]=4 190 B6R1.6 ICC1CCC1 SY073415 [0,0,0,1,0,0|3,0,0]=4 191 B6R1.6 N#CC1COC1 SY226783 [0,0,0,1,0,0|2,0,1]=4 192 B6R1.6 NCC1CCC1 SY035875 [0,0,0,1,0,0|3,0,0]=4 193 B6R1.6 NCC1CCO1 SY035857 [0,0,0,1,0,0|2,0,0]=3 194 B6R1.6 NCC1COC1 SY025447 [0,0,0,1,0,0|2,0,0]=3 195 B6R1.6 NCC1COC1 SY098725 [0,0,0,1,0,0|2,0,0]=3 196 B6R1.6 NC[C@@H]1CCO1 SY250609 [0,0,0,1,0,0|2,0,0]=3 197 B6R1.6 NC[C@H]1CCO1 SY262606 [0,0,0,1,0,0|2,0,0]=3 198 B6R1.6 O=CC1COC1 SY097875 [0,0,0,1,0,0|1,0,2]=4 199 B6R1.6 OCC1CCO1 SY042053 [0,0,0,1,0,0|1,0,0]=2 200 B6R1.6 OCC1CNC1 SY024106 [0,0,0,1,0,0|2,0,0]=3 201 B6R1.6 OCC1COC1 SY009472 [0,0,0,1,0,0|1,0,0]=2 202 B6R1.6 OC[C@@H]1CCO1 SY270417 [0,0,0,1,0,0|1,0,0]=2 203 B6R1.7 CC1(CBr)CO1 SY247742 [0,0,0,1,0,0|2,0,0]=3 204 B6R1.7 CC1(CN)CC1 SY029652 [0,0,0,1,0,0|3,0,0]=4 205 B6R1.7 CC1(CO)CC1 SY029659 [0,0,0,1,0,0|2,0,0]=3 206 B6R1.7 CC1(CO)CO1 SY028746 [0,0,0,1,0,0|1,0,0]=2 207 B6R1.7 C[C@]1(CO)CO1 SY028745 [0,0,0,1,0,0|1,0,0]=2 208 B6R1.7 NC1(CF)CC1 SY040347 [0,0,0,1,0,0|3,0,0]=4 209 B6R1.7 NC1(CO)CC1 SY017513 [0,0,0,1,0,0|2,0,0]=3 210 B6R1.7 NC1(CO)CC1 SY047102 [0,0,0,1,0,0|2,0,0]=3 211 B6R1.7 NCC1(O)CC1 SY040047 [0,0,0,1,0,0|2,0,0]=3 212 B6R1.7 NCC1(O)CC1 SY102292 [0,0,0,1,0,0|2,0,0]=3 213 B6R1.7 OCC1(F)CC1 SY123971 [0,0,0,1,0,0|2,0,0]=3 214 B6R1.7 OCC1(O)CC1 SY123956 [0,0,0,1,0,0|1,0,0]=2 215 B3R0.1 CCON SY009566 [2,0,0,0,0,0|2,0,0]=4 216 B3R0.1 COCBr SY029084 [2,0,0,0,0,0|2,0,0]=4 217 B3R0.1 FCCI SY024380 [2,0,0,0,0,0|2,0,0]=4 218 B3R0.1 ICCI SY045649 [2,0,0,0,0,0|2,0,0]=4 219 B3R0.1 NCCF SY009337 [2,0,0,0,0,0|2,0,0]=4 220 B3R0.1 NCCI SY155633 [2,0,0,0,0,0|2,0,0]=4 221 B3R0.2 CB(O)O SY001105 [2,0,0,0,0,0|1,0,0]=3 222 B3R0.2 CC(=O)O SY001386 [2,0,0,0,0,0|0,0,2]=4 223 B3R0.2 CC(=O)O SY004125 [2,0,0,0,0,0|0,0,2]=4 224 B3R0.2 CC(C)N SY107348 [2,0,0,0,0,0|1,0,0]=3 225 B3R0.2 CN(C)C SY010907 [2,0,0,0,0,0|2,0,0]=4 226 B3R0.2 C[S+](C)C SY011509 [2,0,0,0,0,0|2,0,0]=4 227 B3R0.2 C[S+](C)C SY019516 [2,0,0,0,0,0|2,0,0]=4 228 B3R0.2 P(C)(C)=O SY009874 [2,0,0,0,0,0|1,0,1]=4 229 B3R0.2 P(C)(C)=O SY237149 [2,0,0,0,0,0|1,0,1]=4 230 B5R0.1 CC(=O)CCO SY002849 [1,1,0,0,0,0|0,0,2]=4 231 B5R0.1 CC(=O)NCO SY047960 [1,1,0,0,0,0|0,0,2]=4 232 B5R0.1 CC(C)CON SY013358 [1,1,0,0,0,0|1,0,0]=3 233 B5R0.1 CC(N)CCF SY299085 [1,1,0,0,0,0|2,0,0]=4 234 B5R0.1 CC(N)CCO SY030187 [1,1,0,0,0,0|1,0,0]=3 235 B5R0.1 CC(O)CCBr SY216789 [1,1,0,0,0,0|1,0,0]=3 236 B5R0.1 CCCB(O)O SY030878 [1,1,0,0,0,0|2,0,0]=4 237 B5R0.1 CCC[C@@H](C)O SY045083 [1,1,0,0,0,0|1,0,0]=3 238 B5R0.1 CNCC(C)O SY083968 [1,1,0,0,0,0|1,0,0]=3 239 B5R0.1 CNC[C@H](C)O SY131109 [1,1,0,0,0,0|1,0,0]=3 240 B5R0.1 COCC(C)Br SY074290 [1,1,0,0,0,0|1,0,0]=3 241 B5R0.1 COC[C@@H](C)N SY034826 [1,1,0,0,0,0|1,0,0]=3 242 B5R0.1 COC[C@@H](C)N SY056838 [1,1,0,0,0,0|1,0,0]=3 243 B5R0.1 C[C@@H](O)CCO SY049450 [1,1,0,0,0,0|0,0,0]=2 244 B5R0.1 C[C@H](N)CC#N SY121969 [1,1,0,0,0,0|2,0,0]=4 245 B5R0.1 C[C@H](N)CC#N SY294704 [1,1,0,0,0,0|2,0,0]=4 246 B5R0.1 C[C@H](N)CCO SY022986 [1,1,0,0,0,0|1,0,0]=3 247 B5R0.1 C\C(I)=C\CO SY246995 [1,1,0,0,0,0|1,0,1]=4 248 B5R0.1 C\C(I)=C\CO SY252919 [1,1,0,0,0,0|1,0,1]=4 249 B5R0.1 O=C(O)CCO SY003982 [1,1,0,0,0,0|0,0,2]=4 250 B5R0.4 CC(C)(C)CCl SY048171 [1,1,0,0,0,0|2,0,0]=4 251 B5R0.4 CC(C)(C)NO SY036171 [1,1,0,0,0,0|2,0,0]=4 252 B5R0.4 CC(C)(F)CBr SY027377 [1,1,0,0,0,0|2,0,0]=4 253 B5R0.4 CC(C)(F)CI SY028245 [1,1,0,0,0,0|2,0,0]=4 254 B5R0.4 CC(C)(F)CO SY029466 [1,1,0,0,0,0|1,0,0]=3 255 B5R0.4 CC(C)(O)CBr SY236333 [1,1,0,0,0,0|1,0,0]=3 256 B5R0.4 CC(C)(O)CN SY022204 [1,1,0,0,0,0|1,0,0]=3 257 B5R0.4 CC(C)(O)CO SY107922 [1,1,0,0,0,0|0,0,0]=2 258 B5R0.4 CC(F)(F)CN SY029653 [1,1,0,0,0,0|2,0,0]=4 259 B5R0.4 CC(F)(F)CO SY029658 [1,1,0,0,0,0|1,0,0]=3 260 B5R0.4 NCP(=O)(O)O SY011283 [1,1,0,0,0,0|2,0,0]=4 261 B5R0.4 OCC(F)(F)Br SY216189 [1,1,0,0,0,0|2,0,0]=4 262 B5R0.5 C=C(C)C(C)O SY145959 [1,1,0,0,0,0|1,0,1]=4 263 B5R0.5 CC(C)B(O)O SY006229 [1,1,0,0,0,0|2,0,0]=4 264 B5R0.5 CC(C)C(I)I SY248412 [1,1,0,0,0,0|2,0,0]=4 265 B5R0.5 CC(C)[C@H](C)N SY059202 [1,1,0,0,0,0|2,0,0]=4 266 B5R0.5 CC(N)C(=O)O SY005245 [1,1,0,0,0,0|1,0,1]=4 267 B5R0.5 C[C@@H](Br)C(=O)O SY102226 [1,1,0,0,0,0|1,0,1]=4 268 B5R0.5 C[C@@H](N)C(=O)O SY002277 [1,1,0,0,0,0|1,0,1]=4 269 B5R0.5 C[C@@H](O)C(N)=O SY022608 [1,1,0,0,0,0|0,0,2]=4 270 B5R0.5 C[C@@H](O)[C@@H](C)O SY047189 [1,1,0,0,0,0|0,0,0]=2 271 B5R0.5 C[C@H](Cl)C(=O)O SY018972 [1,1,0,0,0,0|1,0,1]=4 272 B5R0.5 C[C@H](O)[C@H](C)O SY057405 [1,1,0,0,0,0|0,0,0]=2 273 B5R0.5 OB(O)B(O)O SY026113 [1,1,0,0,0,0|2,0,0]=4 274 B5R0.2 C#CCCCO SY007472 [1,1,0,0,0,0|1,0,0]=3 275 B5R0.2 C#CCCOC SY261977 [1,1,0,0,0,0|1,0,1]=4 276 B5R0.2 C=CCCCCl SY115227 [1,1,0,0,0,0|2,0,0]=4 277 B5R0.2 C=CCCCN SY039810 [1,1,0,0,0,0|2,0,0]=4 278 B5R0.2 C=CCCON SY201687 [1,1,0,0,0,0|1,0,1]=4 279 B5R0.2 C=CCCON SY281557 [1,1,0,0,0,0|1,0,1]=4 280 B5R0.2 CCC#CCO SY048461 [1,1,0,0,0,0|1,0,1]=4 281 B5R0.2 CCCCNN SY048097 [1,1,0,0,0,0|2,0,0]=4 282 B5R0.2 CCCCON SY013356 [1,1,0,0,0,0|1,0,0]=3 283 B5R0.2 CCCCON SY019069 [1,1,0,0,0,0|1,0,0]=3 284 B5R0.2 COCCNN SY048076 [1,1,0,0,0,0|2,0,0]=4 285 B5R0.2 ClCCCCI SY049669 [1,1,0,0,0,0|2,0,0]=4 286 B5R0.2 ICCCCI SY037746 [1,1,0,0,0,0|2,0,0]=4 287 B5R0.2 N#CCCCBr SY012834 [1,1,0,0,0,0|2,0,0]=4 288 B5R0.2 N#CCCCCl SY001790 [1,1,0,0,0,0|2,0,0]=4 289 B5R0.2 NCCCCBr SY113500 [1,1,0,0,0,0|2,0,0]=4 290 B5R0.2 NCCCCN SY004150 [1,1,0,0,0,0|2,0,0]=4 291 B5R0.2 NCCCCO SY001196 [1,1,0,0,0,0|1,0,0]=3 292 B5R0.2 NCCCON SY273643 [1,1,0,0,0,0|1,0,0]=3 293 B5R0.2 NOCCCO SY204344 [1,1,0,0,0,0|0,0,0]=2 294 B5R0.2 NOCCCO SY281570 [1,1,0,0,0,0|0,0,0]=2 295 B5R0.2 OC\C=C\CO SY036452 [1,1,0,0,0,0|0,0,1]=3 296 B7R0.2 CC(C)CC(N)CO SY030475 [0,2,0,0,0,0|2,0,0]=4 297 B7R0.2 CC(C)C[C@@H](N)CO SY030474 [0,2,0,0,0,0|2,0,0]=4 298 B7R0.2 CC(C)C[C@H](N)CO SY014112 [0,2,0,0,0,0|2,0,0]=4 299 B7R0.2 O=C([O-])CC(O)CO SY296011 [0,2,0,0,0,0|0,0,1]=3 300 B7R0.2 O=C([O-])C[C@H](O)CO SY293279 [0,2,0,0,0,0|0,0,1]=3 301 B7R0.3 CCCCC(O)CO SY049796 [0,2,0,0,0,0|1,0,0]=3 302 B7R0.3 CCCC[C@@H](N)CO SY038512 [0,2,0,0,0,0|2,0,0]=4 303 B7R0.3 CCCC[C@H](N)CO SY038520 [0,2,0,0,0,0|2,0,0]=4 304 B7R0.3 C[C@@H](CN)CCCO SY267124 [0,2,0,0,0,0|2,0,0]=4 305 B7R0.3 C[C@@H](CN)CCCO SY267125 [0,2,0,0,0,0|2,0,0]=4 306 B7R0.5 CC(C)C(N)CCO SY015880 [0,2,0,0,0,0|2,0,0]=4 307 B7R0.5 CCOC(O)C(F)F SY007828 [0,2,0,0,0,0|2,0,0]=4 308 B7R0.5 COCC(N)C(=O)O SY034134 [0,2,0,0,0,0|1,0,1]=4 309 B7R0.5 COC[C@@H](N)C(=O)O SY023999 [0,2,0,0,0,0|1,0,1]=4 310 B7R0.5 COC[C@H](N)C(=O)O SY114490 [0,2,0,0,0,0|1,0,1]=4 311 B7R0.5 NC(CCO)C(=O)O SY005812 [0,2,0,0,0,0|1,0,1]=4 312 B7R0.5 NCC[C@H](O)C(=O)O SY008713 [0,2,0,0,0,0|1,0,1]=4 313 B7R0.5 N[C@@H](CCO)C(=O)O SY005811 [0,2,0,0,0,0|1,0,1]=4 314 B7R0.5 N[C@H](CCO)C(=O)O SY014844 [0,2,0,0,0,0|1,0,1]=4 315 B7R0.7 CCC[C@H](N)CCO SY117417 [0,2,0,0,0,0|2,0,0]=4 316 B7R0.7 COCC(=O)COC SY110586 [0,2,0,0,0,0|0,0,2]=4 317 B7R0.7 COCC(O)COC SY021402 [0,2,0,0,0,0|0,0,0]=2 318 B7R0.7 O=C(CCO)CCO SY239973 [0,2,0,0,0,0|0,0,2]=4 319 B7R0.7 OCCC(O)CCO SY284695 [0,2,0,0,0,0|0,0,0]=2 320 B7R0.10 CC[C@H](C)[C@H](N)CO SY014111 [0,2,0,0,0,0|2,0,0]=4 321 B7R0.10 COC(=O)C(Br)CO SY246714 [0,2,0,0,0,0|1,0,1]=4 322 B7R0.10 COC(=O)C(N)CO SY005975 [0,2,0,0,0,0|1,0,1]=4 323 B7R0.10 COC(=O)C(O)CN SY029941 [0,2,0,0,0,0|1,0,1]=4 324 B7R0.10 COC(=O)C(O)CO SY265586 [0,2,0,0,0,0|0,0,1]=3 325 B7R0.10 COC(=O)[C@@H](Br)CO SY246715 [0,2,0,0,0,0|1,0,1]=4 326 B7R0.10 COC(=O)[C@@H](C)CO SY016750 [0,2,0,0,0,0|1,0,1]=4 327 B7R0.10 COC(=O)[C@@H](N)CO SY005340 [0,2,0,0,0,0|1,0,1]=4 328 B7R0.10 COC(=O)[C@@H](O)CO SY017442 [0,2,0,0,0,0|0,0,1]=3 329 B7R0.10 COC(=O)[C@H](C)CO SY031653 [0,2,0,0,0,0|1,0,1]=4 330 B7R0.10 COC(=O)[C@H](N)CO SY008009 [0,2,0,0,0,0|1,0,1]=4 331 B7R0.10 COC(=O)[C@H](O)CO SY116554 [0,2,0,0,0,0|0,0,1]=3 332 B7R0.12 COCC(OC)OC SY050730 [0,2,0,0,0,0|2,0,0]=4 333 B7R0.12 NCCC(CO)CO SY309273 [0,2,0,0,0,0|1,0,0]=3 334 B7R0.13 CC(C)(CO)C(=O)O SY017233 [0,2,0,0,0,0|1,0,1]=4 335 B7R0.13 CC(N)(CO)C(=O)O SY047210 [0,2,0,0,0,0|1,0,1]=4 336 B7R0.13 CCC(C)(O)C(=O)O SY051605 [0,2,0,0,0,0|1,0,1]=4 337 B7R0.13 C[C@@](N)(CO)C(=O)O SY047311 [0,2,0,0,0,0|1,0,1]=4 338 B7R0.13 C[C@](N)(CO)C(=O)O SY047312 [0,2,0,0,0,0|1,0,1]=4 339 B7R0.14 CC(C)(C)[C@@H](N)CO SY101530 [0,2,0,0,0,0|2,0,0]=4 340 B7R0.14 CC(C)(C)[C@H](N)CO SY038947 [0,2,0,0,0,0|2,0,0]=4 341 B7R0.14 CC(C)(O)C(F)CN SY246486 [0,2,0,0,0,0|2,0,0]=4 342 B7R0.14 CC(C)(O)[C@H](F)CN SY038852 [0,2,0,0,0,0|2,0,0]=4 343 B7R0.14 CC(CO)C(F)(F)F SY108715 [0,2,0,0,0,0|2,0,0]=4 344 B7R0.14 NC(CO)C(F)(F)F SY130707 [0,2,0,0,0,0|2,0,0]=4 345 B7R0.14 NC(CO)C(F)(F)F SY260433 [0,2,0,0,0,0|2,0,0]=4 346 B7R0.14 NCC(O)C(F)(F)F SY060647 [0,2,0,0,0,0|2,0,0]=4 347 B7R0.14 N[C@@H](CO)C(F)(F)F SY154831 [0,2,0,0,0,0|2,0,0]=4 348 B7R0.14 OCC(Br)C(F)(F)F SY237765 [0,2,0,0,0,0|2,0,0]=4 349 B7R0.15 CCC(OC)C(=O)O SY057653 [0,2,0,0,0,0|1,0,1]=4 350 B7R0.16 CC(C)[C@@H](O)C(=O)O SY041974 [0,2,0,0,0,0|1,0,1]=4 351 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O SY026984 [0,2,0,0,0,0|1,0,1]=4 352 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O SY020053 [0,2,0,0,0,0|1,0,1]=4 353 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O SY018620 [0,2,0,0,0,0|1,0,1]=4 354 B7R0.16 C[C@H](O)[C@H](N)C(=O)O SY024226 [0,2,0,0,0,0|1,0,1]=4 355 B7R0.18 CC(C=O)(CO)CO SY265867 [0,2,0,0,0,0|0,0,1]=3 356 B7R0.18 CC(CO)(CO)CO SY004547 [0,2,0,0,0,0|0,0,0]=2 357 B7R0.18 CCC(N)(CO)CO SY036815 [0,2,0,0,0,0|1,0,0]=3 358 B7R0.18 NC(CO)(CO)CO SY001400 [0,2,0,0,0,0|0,0,0]=2 359 B5R1.2 BrC1CCC1 SY013810 [1,0,0,1,0,0|2,0,0]=4 360 B5R1.2 BrC1CNC1 SY097761 [1,0,0,1,0,0|2,0,0]=4 361 B5R1.2 CC1CCN1 SY099118 [1,0,0,1,0,0|2,0,0]=4 362 B5R1.2 CC1CNC1 SY056983 [1,0,0,1,0,0|2,0,0]=4 363 B5R1.2 C[C@@H]1CCN1 SY261901 [1,0,0,1,0,0|2,0,0]=4 364 B5R1.2 C[C@H]1CCN1 SY249704 [1,0,0,1,0,0|2,0,0]=4 365 B5R1.2 ClC1COC1 SY059296 [1,0,0,1,0,0|1,0,0]=3 366 B5R1.2 FC1CNC1 SY018074 [1,0,0,1,0,0|2,0,0]=4 367 B5R1.2 IC1CCC1 SY233989 [1,0,0,1,0,0|2,0,0]=4 368 B5R1.2 IC1COC1 SY009160 [1,0,0,1,0,0|1,0,0]=3 369 B5R1.2 NC1CCC1 SY013751 [1,0,0,1,0,0|2,0,0]=4 370 B5R1.2 NC1CNC1 SY033623 [1,0,0,1,0,0|2,0,0]=4 371 B5R1.2 NC1COC1 SY009105 [1,0,0,1,0,0|1,0,0]=3 372 B5R1.2 NC1CSC1 SY097616 [1,0,0,1,0,0|1,1,0]=4 373 B5R1.2 O=C1COC1 SY003915 [1,0,0,1,0,0|0,0,2]=4 374 B5R1.2 OC1CNC1 SY002482 [1,0,0,1,0,0|1,0,0]=3 375 B5R1.2 OC1COC1 SY002910 [1,0,0,1,0,0|0,0,0]=2 376 B5R1.2 OC1CSC1 SY099721 [1,0,0,1,0,0|0,1,0]=3 377 B5R1.3 ICC1CC1 SY266775 [1,0,0,1,0,0|2,0,0]=4 378 B5R1.3 OC[C@@H]1CO1 SY013955 [1,0,0,1,0,0|0,0,0]=2 379 B5R1.3 OC[C@H]1CO1 SY031944 [1,0,0,1,0,0|0,0,0]=2 380 B5R1.4 C[C@@H]1O[C@H]1C SY224137 [1,0,0,1,0,0|1,0,0]=3 381 B5R1.4 NC1CC1F SY265040 [1,0,0,1,0,0|2,0,0]=4 382 B5R1.4 NC1CC1N SY249366 [1,0,0,1,0,0|2,0,0]=4 383 B5R1.4 N[C@@H]1C[C@H]1F SY259032 [1,0,0,1,0,0|2,0,0]=4 384 B5R1.4 N[C@@H]1C[C@H]1N SY253855 [1,0,0,1,0,0|2,0,0]=4 385 B5R1.4 N[C@H]1C[C@H]1F SY265042 [1,0,0,1,0,0|2,0,0]=4 386 B5R1.4 N[C@H]1C[C@H]1N SY249367 [1,0,0,1,0,0|2,0,0]=4 387 B5R1.5 CC1(N)CC1 SY029028 [1,0,0,1,0,0|2,0,0]=4 388 B5R1.5 CC1(O)CC1 SY022540 [1,0,0,1,0,0|1,0,0]=3 389 B5R1.5 NC1(O)CC1 SY278292 [1,0,0,1,0,0|2,0,0]=4 390 B7R1.1 BrCC1CCOC1 SY042030 [0,1,0,1,0,0|2,0,0]=4 391 B7R1.1 BrCC1OCCO1 SY013531 [0,1,0,1,0,0|2,0,0]=4 392 B7R1.1 CNC1CCOC1 SY048009 [0,1,0,1,0,0|2,0,0]=4 393 B7R1.1 CN[C@@H]1CCOC1 SY268189 [0,1,0,1,0,0|2,0,0]=4 394 B7R1.1 COC1CCNC1 SY043121 [0,1,0,1,0,0|2,0,0]=4 395 B7R1.1 COC1CCNC1 SY097408 [0,1,0,1,0,0|2,0,0]=4 396 B7R1.1 CO[C@@H]1CCNC1 SY042148 [0,1,0,1,0,0|2,0,0]=4 397 B7R1.1 CO[C@@H]1CCNC1 SY056981 [0,1,0,1,0,0|2,0,0]=4 398 B7R1.1 CO[C@H]1CCNC1 SY042488 [0,1,0,1,0,0|2,0,0]=4 399 B7R1.1 ClCC1CCCO1 SY049357 [0,1,0,1,0,0|2,0,0]=4 400 B7R1.1 N#CC1CCOC1 SY042080 [0,1,0,1,0,0|2,0,0]=4 401 B7R1.1 NCC1CCOC1 SY042027 [0,1,0,1,0,0|2,0,0]=4 402 B7R1.1 NC[C@@H]1CCCO1 SY012535 [0,1,0,1,0,0|2,0,0]=4 403 B7R1.1 NN[C@@H]1CCOC1 SY295255 [0,1,0,1,0,0|2,0,0]=4 404 B7R1.1 O=CC1CCOC1 SY046752 [0,1,0,1,0,0|1,0,1]=4 405 B7R1.1 OCC1CC=CC1 SY019811 [0,1,0,1,0,0|2,0,0]=4 406 B7R1.1 OCC1CCCC1 SY006011 [0,1,0,1,0,0|2,0,0]=4 407 B7R1.1 OCC1CCCN1 SY013851 [0,1,0,1,0,0|2,0,0]=4 408 B7R1.1 OCC1CCNC1 SY018506 [0,1,0,1,0,0|2,0,0]=4 409 B7R1.1 OCC1CCNC1 SY021497 [0,1,0,1,0,0|2,0,0]=4 410 B7R1.1 OCC1CCOC1 SY030918 [0,1,0,1,0,0|1,0,0]=3 411 B7R1.1 OC[C@@H]1CCCO1 SY227666 [0,1,0,1,0,0|1,0,0]=3 412 B7R1.1 OC[C@@H]1CCNC1 SY008238 [0,1,0,1,0,0|2,0,0]=4 413 B7R1.1 OC[C@H]1CCCN1 SY013466 [0,1,0,1,0,0|2,0,0]=4 414 B7R1.1 OC[C@H]1CCCO1 SY106537 [0,1,0,1,0,0|1,0,0]=3 415 B7R1.1 OC[C@H]1CCNC1 SY008227 [0,1,0,1,0,0|2,0,0]=4 416 B7R1.2 CN1CCC(O)C1 SY005849 [0,1,0,1,0,0|2,0,0]=4 417 B7R1.2 CN1CC[C@@H](O)C1 SY031540 [0,1,0,1,0,0|2,0,0]=4 418 B7R1.2 CN1CC[C@H](O)C1 SY003953 [0,1,0,1,0,0|2,0,0]=4 419 B7R1.2 C[C@@H]1C[C@H](O)CN1 SY038467 [0,1,0,1,0,0|2,0,0]=4 420 B7R1.2 C[C@H]1C[C@@H](O)CN1 SY099690 [0,1,0,1,0,0|2,0,0]=4 421 B7R1.2 NC1CCC(O)C1 SY097023 [0,1,0,1,0,0|2,0,0]=4 422 B7R1.2 N[C@@H]1CC[C@@H](O)C1 SY021340 [0,1,0,1,0,0|2,0,0]=4 423 B7R1.2 N[C@@H]1CC[C@H](O)C1 SY045306 [0,1,0,1,0,0|2,0,0]=4 424 B7R1.2 N[C@@H]1COC(=O)C1 SY033765 [0,1,0,1,0,0|1,0,1]=4 425 B7R1.2 N[C@H]1CC[C@@H](O)C1 SY198445 [0,1,0,1,0,0|2,0,0]=4 426 B7R1.2 N[C@H]1CC[C@H](O)C1 SY021301 [0,1,0,1,0,0|2,0,0]=4 427 B7R1.2 N[C@H]1CC[C@H](O)C1 SY259001 [0,1,0,1,0,0|2,0,0]=4 428 B7R1.2 N[C@H]1COC(=O)C1 SY033771 [0,1,0,1,0,0|1,0,1]=4 429 B7R1.2 O=C1CC(O)CN1 SY031844 [0,1,0,1,0,0|1,0,1]=4 430 B7R1.2 O=C1CCC(O)C1 SY040217 [0,1,0,1,0,0|1,0,1]=4 431 B7R1.2 O=C1C[C@@H](O)CN1 SY030867 [0,1,0,1,0,0|1,0,1]=4 432 B7R1.2 O=C1C[C@@H](O)CO1 SY109477 [0,1,0,1,0,0|0,0,1]=3 433 B7R1.2 O=C1C[C@H](O)CN1 SY025368 [0,1,0,1,0,0|1,0,1]=4 434 B7R1.2 O=C1C[C@H](O)CO1 SY002401 [0,1,0,1,0,0|0,0,1]=3 435 B7R1.3 BrC1CCCOC1 SY005937 [0,1,0,1,0,0|2,0,0]=4 436 B7R1.3 BrC1CCOCC1 SY002700 [0,1,0,1,0,0|2,0,0]=4 437 B7R1.3 CC1COCCN1 SY028991 [0,1,0,1,0,0|2,0,0]=4 438 B7R1.3 C[C@@H]1COCCN1 SY021211 [0,1,0,1,0,0|2,0,0]=4 439 B7R1.3 C[C@@H]1COCCN1 SY023875 [0,1,0,1,0,0|2,0,0]=4 440 B7R1.3 C[C@H]1COCCN1 SY002673 [0,1,0,1,0,0|2,0,0]=4 441 B7R1.3 C[C@H]1COCCN1 SY023874 [0,1,0,1,0,0|2,0,0]=4 442 B7R1.3 ClC1CCOCC1 SY051140 [0,1,0,1,0,0|2,0,0]=4 443 B7R1.3 IC1CCOCC1 SY004489 [0,1,0,1,0,0|2,0,0]=4 444 B7R1.3 NC1CCOCC1 SY013112 [0,1,0,1,0,0|2,0,0]=4 445 B7R1.3 N[C@@H]1CCCOC1 SY023981 [0,1,0,1,0,0|2,0,0]=4 446 B7R1.3 N[C@H]1CCCOC1 SY023980 [0,1,0,1,0,0|2,0,0]=4 447 B7R1.3 OC1CC=CCC1 SY264800 [0,1,0,1,0,0|2,0,0]=4 448 B7R1.3 OC1CCCCO1 SY009592 [0,1,0,1,0,0|2,0,0]=4 449 B7R1.3 OC1CCCNC1 SY002024 [0,1,0,1,0,0|2,0,0]=4 450 B7R1.3 OC1CCCOC1 SY021770 [0,1,0,1,0,0|1,0,0]=3 451 B7R1.3 OC1CCNCC1 SY025543 [0,1,0,1,0,0|2,0,0]=4 452 B7R1.3 OC1CCOCC1 SY002687 [0,1,0,1,0,0|1,0,0]=3 453 B7R1.3 OC1CCSCC1 SY019603 [0,1,0,1,0,0|1,1,0]=4 454 B7R1.3 OC1COCOC1 SY039164 [0,1,0,1,0,0|0,0,0]=2 455 B7R1.3 O[C@@H]1CCCNC1 SY017793 [0,1,0,1,0,0|2,0,0]=4 456 B7R1.3 O[C@H]1CCCNC1 SY020871 [0,1,0,1,0,0|2,0,0]=4 457 B7R1.4 C[C@@H]1CNC[C@@H]1O SY124368 [0,1,0,1,0,0|2,0,0]=4 458 B7R1.4 NC1CCCC1O SY004734 [0,1,0,1,0,0|2,0,0]=4 459 B7R1.4 N[C@@H]1CCC[C@@H]1O SY002754 [0,1,0,1,0,0|2,0,0]=4 460 B7R1.4 N[C@@H]1CCC[C@H]1O SY002755 [0,1,0,1,0,0|2,0,0]=4 461 B7R1.4 N[C@@H]1CCC[C@H]1O SY004738 [0,1,0,1,0,0|2,0,0]=4 462 B7R1.4 N[C@@H]1CCC[C@H]1O SY029613 [0,1,0,1,0,0|2,0,0]=4 463 B7R1.4 N[C@@H]1COC[C@@H]1N SY097056 [0,1,0,1,0,0|2,0,0]=4 464 B7R1.4 N[C@H]1CCC[C@@H]1O SY003862 [0,1,0,1,0,0|2,0,0]=4 465 B7R1.4 N[C@H]1CCC[C@H]1O SY003863 [0,1,0,1,0,0|2,0,0]=4 466 B7R1.4 N[C@H]1COC[C@H]1O SY233968 [0,1,0,1,0,0|1,0,0]=3 467 B7R1.4 O=C1OCCC1O SY052569 [0,1,0,1,0,0|0,0,2]=4 468 B7R1.4 O=C1OCC[C@@H]1O SY027538 [0,1,0,1,0,0|0,0,2]=4 469 B7R1.4 OC1CCCC1F SY273252 [0,1,0,1,0,0|2,0,0]=4 470 B7R1.4 OC1CCCC1O SY007557 [0,1,0,1,0,0|1,0,0]=3 471 B7R1.4 OC1COCC1Br SY262931 [0,1,0,1,0,0|1,0,0]=3 472 B7R1.4 O[C@@H]1CCC[C@H]1Cl SY058932 [0,1,0,1,0,0|2,0,0]=4 473 B7R1.4 O[C@@H]1CCC[C@H]1F SY273251 [0,1,0,1,0,0|2,0,0]=4 474 B7R1.4 O[C@@H]1CCC[C@H]1O SY028304 [0,1,0,1,0,0|1,0,0]=3 475 B7R1.4 O[C@@H]1CNC[C@H]1O SY038177 [0,1,0,1,0,0|1,0,0]=3 476 B7R1.4 O[C@H]1CNC[C@@H]1O SY031965 [0,1,0,1,0,0|1,0,0]=3 477 B7R1.4 O[C@H]1CNC[C@H]1O SY097115 [0,1,0,1,0,0|1,0,0]=3 478 B7R1.6 CNCC1COC1 SY113244 [0,1,0,1,0,0|2,0,0]=4 479 B7R1.6 COCC1CCN1 SY122024 [0,1,0,1,0,0|2,0,0]=4 480 B7R1.6 COCC1CNC1 SY060329 [0,1,0,1,0,0|2,0,0]=4 481 B7R1.6 ICCC1COC1 SY249454 [0,1,0,1,0,0|2,0,0]=4 482 B7R1.6 NOCC1CCC1 SY216380 [0,1,0,1,0,0|2,0,0]=4 483 B7R1.6 NOCC1CCC1 SY281574 [0,1,0,1,0,0|2,0,0]=4 484 B7R1.6 OCCC1CCO1 SY099736 [0,1,0,1,0,0|1,0,0]=3 485 B7R1.6 OCCC1COC1 SY097532 [0,1,0,1,0,0|1,0,0]=3 486 B7R1.10 CC1CC(CO)C1 SY217481 [0,1,0,1,0,0|2,0,0]=4 487 B7R1.10 CN1CC(CO)C1 SY233850 [0,1,0,1,0,0|2,0,0]=4 488 B7R1.10 NC1CC(CO)C1 SY098739 [0,1,0,1,0,0|2,0,0]=4 489 B7R1.10 NCC1CC(O)C1 SY098741 [0,1,0,1,0,0|2,0,0]=4 490 B7R1.10 NC[C@H]1C[C@@H](O)C1 SY098823 [0,1,0,1,0,0|2,0,0]=4 491 B7R1.10 N[C@H]1C[C@H](CO)C1 SY038401 [0,1,0,1,0,0|2,0,0]=4 492 B7R1.10 O=C1CC(CBr)O1 SY250803 [0,1,0,1,0,0|1,0,1]=4 493 B7R1.10 O=C1C[C@@H](CO)N1 SY278869 [0,1,0,1,0,0|1,0,1]=4 494 B7R1.22 C=C[C@H](O)[C@H]1CO1 SY268637 [0,1,0,1,0,0|1,0,1]=4 495 B7R1.22 NC(CO)C1CC1 SY285678 [0,1,0,1,0,0|2,0,0]=4 496 B7R1.25 C#CC1(O)COC1 SY097262 [0,1,0,1,0,0|1,0,1]=4 497 B7R1.25 CC1(CBr)COC1 SY008845 [0,1,0,1,0,0|2,0,0]=4 498 B7R1.25 CC1(CI)COC1 SY041717 [0,1,0,1,0,0|2,0,0]=4 499 B7R1.25 CC1(CN)COC1 SY008846 [0,1,0,1,0,0|2,0,0]=4 500 B7R1.25 CC1(CO)CNC1 SY037707 [0,1,0,1,0,0|2,0,0]=4 501 B7R1.25 CC1(CO)COC1 SY004123 [0,1,0,1,0,0|1,0,0]=3 502 B7R1.25 FC1(CBr)COC1 SY111193 [0,1,0,1,0,0|2,0,0]=4 503 B7R1.25 NC1(CO)CCC1 SY098454 [0,1,0,1,0,0|2,0,0]=4 504 B7R1.25 NC1(CO)CCC1 SY140856 [0,1,0,1,0,0|2,0,0]=4 505 B7R1.25 NC1(CO)COC1 SY047678 [0,1,0,1,0,0|1,0,0]=3 506 B7R1.25 NCC1(F)COC1 SY045010 [0,1,0,1,0,0|2,0,0]=4 507 B7R1.25 NCC1(O)CCC1 SY097074 [0,1,0,1,0,0|2,0,0]=4 508 B7R1.25 NCC1(O)COC1 SY097214 [0,1,0,1,0,0|1,0,0]=3 509 B7R1.25 OCC1(F)CNC1 SY198808 [0,1,0,1,0,0|2,0,0]=4 510 B7R1.25 OCC1(F)COC1 SY098627 [0,1,0,1,0,0|1,0,0]=3 511 B7R1.18 O=C(O)C1CCO1 SY033341 [0,1,0,1,0,0|1,0,1]=4 512 B7R1.18 O=C(O)C1COC1 SY008837 [0,1,0,1,0,0|1,0,1]=4 513 B7R1.18 O=C(O)[C@@H]1CCO1 SY269134 [0,1,0,1,0,0|1,0,1]=4 514 B7R1.19 O=C(O)C1(O)CC1 SY097482 [0,1,0,1,0,0|1,0,1]=4 515 B7R1.23 CC1(C)OC1CBr SY250816 [0,1,0,1,0,0|2,0,0]=4 516 B7R1.23 OCC1CC1(F)F SY063954 [0,1,0,1,0,0|2,0,0]=4 517 B7R1.14 CC1(O)CCNC1 SY036721 [0,1,0,1,0,0|2,0,0]=4 518 B7R1.14 C[C@@]1(O)CCNC1 SY233757 [0,1,0,1,0,0|2,0,0]=4 519 B7R1.14 C[C@@]1(O)CCNC1 SY310803 [0,1,0,1,0,0|2,0,0]=4 520 B7R1.14 C[C@]1(O)CCNC1 SY233715 [0,1,0,1,0,0|2,0,0]=4 521 B7R1.14 C[C@]1(O)CCNC1 SY233747 [0,1,0,1,0,0|2,0,0]=4 522 B7R1.29 N#CC1(CO)CC1 SY045943 [0,1,0,1,0,0|2,0,0]=4 523 B7R1.29 NCC1(CO)CC1 SY030738 [0,1,0,1,0,0|2,0,0]=4 524 B7R1.29 OCC1(CO)CC1 SY002066 [0,1,0,1,0,0|1,0,0]=3 525 B7R2.13 C1OCC2OC12 SY018458 [0,0,0,2,0,0|1,0,0]=3 526 B7R2.8 OC1C2CC1C2 SY294157 [0,0,0,2,0,0|2,0,0]=4 527 B7R2.16 C1CC2(C1)CO2 SY253039 [0,0,0,2,0,0|2,0,0]=4