0 B5R0.1 CC(=O)CCN SY263173 [0,0,0,0,0,0|2,0,2]=4 1 B5R0.1 CC(=O)CCO SY002849 [0,0,0,0,0,0|1,0,3]=4 2 B5R0.1 CC(C)CON SY013358 [0,0,0,0,0,0|2,0,0]=2 3 B5R0.1 CC(C)N=[N+]=[N-] SY197245 [0,0,0,0,0,0|3,0,0]=3 4 B5R0.1 CC(N)CCF SY299085 [0,0,0,0,0,0|2,0,1]=3 5 B5R0.1 CC(N)CCO SY030187 [0,0,0,0,0,0|1,0,2]=3 6 B5R0.1 CC(O)CCBr SY216789 [0,0,0,0,0,0|2,0,1]=3 7 B5R0.1 CCC[C@@H](C)O SY045083 [0,0,0,0,0,0|2,0,1]=3 8 B5R0.1 CN(C)CC=O SY114927 [0,0,0,0,0,0|1,0,0]=1 9 B5R0.1 CN(C)CCBr SY004492 [0,0,0,0,0,0|2,0,1]=3 10 B5R0.1 CN(C)CCI SY219257 [0,0,0,0,0,0|2,0,1]=3 11 B5R0.1 CN(C)CCI SY247759 [0,0,0,0,0,0|2,0,1]=3 12 B5R0.1 CN(C)CCI SY247769 [0,0,0,0,0,0|2,0,1]=3 13 B5R0.1 CNCC(C)O SY083968 [0,0,0,0,0,0|3,0,0]=3 14 B5R0.1 CNCC(F)F SY181997 [0,0,0,0,0,0|4,0,0]=4 15 B5R0.1 CNC[C@H](C)O SY131109 [0,0,0,0,0,0|3,0,0]=3 16 B5R0.1 COCC(C)Br SY074290 [0,0,0,0,0,0|3,0,0]=3 17 B5R0.1 COC[C@@H](C)N SY034826 [0,0,0,0,0,0|3,0,0]=3 18 B5R0.1 COC[C@@H](C)N SY056838 [0,0,0,0,0,0|3,0,0]=3 19 B5R0.1 CSCS(C)=O SY049552 [0,0,0,0,0,0|4,0,0]=4 20 B5R0.1 C[C@@H](O)CCO SY049450 [0,0,0,0,0,0|1,0,2]=3 21 B5R0.1 C[C@H](N)CC#N SY121969 [0,0,0,0,0,0|2,0,1]=3 22 B5R0.1 C[C@H](N)CC#N SY294704 [0,0,0,0,0,0|2,0,1]=3 23 B5R0.1 C[C@H](N)CCO SY022986 [0,0,0,0,0,0|1,0,2]=3 24 B4R0.1 C#CC(C)N SY022798 [1,0,0,0,0,0|1,0,2]=4 25 B4R0.1 C=C(C)CN SY018445 [1,0,0,0,0,0|1,0,2]=4 26 B4R0.1 C=C[C@H](C)N SY245785 [1,0,0,0,0,0|1,0,1]=3 27 B4R0.1 CC(=O)CN SY018511 [1,0,0,0,0,0|2,0,1]=4 28 B4R0.1 CC(C)NN SY008422 [1,0,0,0,0,0|2,0,0]=3 29 B4R0.1 CC(C)NO SY059927 [1,0,0,0,0,0|1,0,1]=3 30 B4R0.1 CC(C)ON SY019006 [1,0,0,0,0,0|2,0,0]=3 31 B4R0.1 CC(N)CBr SY268996 [1,0,0,0,0,0|2,0,0]=3 32 B4R0.1 CC(N)CF SY045872 [1,0,0,0,0,0|2,0,0]=3 33 B4R0.1 CC(S)CO SY195125 [1,0,0,0,0,0|1,0,1]=3 34 B4R0.1 CC[C@H](C)N SY059203 [1,0,0,0,0,0|1,0,1]=3 35 B4R0.1 C[C@@H](Cl)CO SY240135 [1,0,0,0,0,0|1,0,1]=3 36 B4R0.1 C[C@@H](N)CF SY044783 [1,0,0,0,0,0|2,0,0]=3 37 B4R0.1 C[C@@H](O)CN SY002691 [1,0,0,0,0,0|2,0,0]=3 38 B4R0.1 C[C@@H](O)CO SY003769 [1,0,0,0,0,0|1,0,1]=3 39 B4R0.1 C[C@H](N)CF SY044781 [1,0,0,0,0,0|2,0,0]=3 40 B4R0.1 C[C@H](O)CO SY003770 [1,0,0,0,0,0|1,0,1]=3 41 B4R0.1 FC(F)CI SY027169 [1,0,0,0,0,0|3,0,0]=4 42 B4R0.1 NCC(F)F SY013766 [1,0,0,0,0,0|3,0,0]=4 43 B4R0.2 BrCCCI SY288042 [1,0,0,0,0,0|2,0,1]=4 44 B4R0.2 C#CCCI SY026540 [1,0,0,0,0,0|2,0,1]=4 45 B4R0.2 C#CCCN SY007229 [1,0,0,0,0,0|2,0,1]=4 46 B4R0.2 C=CCCN SY036713 [1,0,0,0,0,0|2,0,0]=3 47 B4R0.2 C=CCNN SY076022 [1,0,0,0,0,0|3,0,0]=4 48 B4R0.2 C=CCON SY029026 [1,0,0,0,0,0|3,0,0]=4 49 B4R0.2 CC=CC[Pd+2] SY070788 [1,0,0,0,0,0|2,0,1]=4 50 B4R0.2 CCCNN SY048075 [1,0,0,0,0,0|2,0,0]=3 51 B4R0.2 CCCON SY096737 [1,0,0,0,0,0|2,0,0]=3 52 B4R0.2 CCOC=N SY041120 [1,0,0,0,0,0|2,0,0]=3 53 B4R0.2 CNCC#N SY003939 [1,0,0,0,0,0|2,0,1]=4 54 B4R0.2 CNCCBr SY044997 [1,0,0,0,0,0|2,0,1]=4 55 B4R0.2 CNCCF SY122542 [1,0,0,0,0,0|2,0,1]=4 56 B4R0.2 CNCCN SY023647 [1,0,0,0,0,0|2,0,1]=4 57 B4R0.2 COCC#N SY003878 [1,0,0,0,0,0|2,0,1]=4 58 B4R0.2 COCCI SY248715 [1,0,0,0,0,0|2,0,1]=4 59 B4R0.2 ClCCCI SY031611 [1,0,0,0,0,0|2,0,1]=4 60 B4R0.2 FCCCI SY025148 [1,0,0,0,0,0|2,0,1]=4 61 B4R0.2 ICCCI SY045006 [1,0,0,0,0,0|2,0,1]=4 62 B4R0.2 N#CCCO SY005485 [1,0,0,0,0,0|2,0,1]=4 63 B4R0.2 NCCCBr SY008325 [1,0,0,0,0,0|2,0,1]=4 64 B4R0.2 NCCCCl SY001694 [1,0,0,0,0,0|2,0,1]=4 65 B4R0.2 NCCCI SY154270 [1,0,0,0,0,0|2,0,1]=4 66 B4R0.2 NOCCO SY007135 [1,0,0,0,0,0|3,0,0]=4 67 B4R0.2 OCCCBr SY001898 [1,0,0,0,0,0|1,0,2]=4 68 B4R0.2 OCCCF SY033053 [1,0,0,0,0,0|1,0,2]=4 69 B4R0.2 OCCCI SY016401 [1,0,0,0,0,0|1,0,2]=4 70 B6R0.1 C=CCC(=O)OC SY025883 [0,1,0,0,0,0|2,0,1]=4 71 B6R0.1 C=CC[C@H](C)C=O SY018347 [0,1,0,0,0,0|1,0,1]=3 72 B6R0.1 CCCC(C)CN SY271841 [0,1,0,0,0,0|1,0,1]=3 73 B6R0.1 CCCC(O)CO SY032914 [0,1,0,0,0,0|2,0,1]=4 74 B6R0.1 CCC[C@@H](N)CF SY045881 [0,1,0,0,0,0|2,0,1]=4 75 B6R0.1 CCC[C@@H](N)CO SY038521 [0,1,0,0,0,0|2,0,1]=4 76 B6R0.1 CCC[C@H](N)CF SY045882 [0,1,0,0,0,0|2,0,1]=4 77 B6R0.1 CCC[C@H](N)CO SY017944 [0,1,0,0,0,0|2,0,1]=4 78 B6R0.1 CNC[C@@H](O)CO SY294795 [0,1,0,0,0,0|3,0,0]=4 79 B6R0.1 COC[C@@H](O)CN SY236677 [0,1,0,0,0,0|3,0,0]=4 80 B6R0.1 COC[C@H](O)CN SY199877 [0,1,0,0,0,0|3,0,0]=4 81 B6R0.1 N#CC[C@@H](O)CCl SY037767 [0,1,0,0,0,0|2,0,1]=4 82 B6R0.1 N#CC[C@H](O)CCl SY037768 [0,1,0,0,0,0|2,0,1]=4 83 B6R0.1 NCCC(O)CO SY260308 [0,1,0,0,0,0|2,0,1]=4 84 B6R0.1 O=CC[C@H](O)CCl SY285776 [0,1,0,0,0,0|1,0,0]=2 85 B6R0.1 OCCC(O)CO SY003295 [0,1,0,0,0,0|1,0,2]=4 86 B6R0.1 OCC[C@H](O)CO SY274042 [0,1,0,0,0,0|1,0,2]=4 87 B6R0.1 O[C@@H](CBr)CCBr SY301486 [0,1,0,0,0,0|2,0,1]=4 88 B6R0.2 CC(=O)C[N+](=O)[O-] SY285532 [0,1,0,0,0,0|2,0,1]=4 89 B6R0.2 CC(=O)NC(C)C SY107538 [0,1,0,0,0,0|1,0,0]=2 90 B6R0.2 CC(=O)OC(C)Br SY067153 [0,1,0,0,0,0|2,0,0]=3 91 B6R0.2 CC(=O)\C=C(\C)[O-] SY008855 [0,1,0,0,0,0|1,0,2]=4 92 B6R0.2 CC(=O)\C=C(\C)[O-] SY010105 [0,1,0,0,0,0|1,0,2]=4 93 B6R0.2 CC(=O)\C=C(\C)[O-] SY010217 [0,1,0,0,0,0|1,0,2]=4 94 B6R0.2 CC(=O)\C=C(\C)[O-] SY010282 [0,1,0,0,0,0|1,0,2]=4 95 B6R0.2 CC(=O)\C=C(\C)[O-] SY011804 [0,1,0,0,0,0|1,0,2]=4 96 B6R0.2 CC(=O)\C=C(\C)[O-] SY072898 [0,1,0,0,0,0|1,0,2]=4 97 B6R0.2 CC(=O)\C=C(\C)[O-] SY107884 [0,1,0,0,0,0|1,0,2]=4 98 B6R0.2 CC(C)CB(O)O SY002441 [0,1,0,0,0,0|1,0,1]=3 99 B6R0.2 CC(C)NC(C)C SY110478 [0,1,0,0,0,0|2,0,1]=4 100 B6R0.2 CC(C)NC(C)C SY235485 [0,1,0,0,0,0|2,0,1]=4 101 B6R0.2 CC(C)[NH2+]C(C)C SY037975 [0,1,0,0,0,0|2,0,1]=4 102 B6R0.2 CC(Cl)CC(=O)Cl SY222037 [0,1,0,0,0,0|1,0,0]=2 103 B6R0.2 CC(N)CC(=O)O SY022577 [0,1,0,0,0,0|1,0,0]=2 104 B6R0.2 CN(C)CC(=O)O SY001194 [0,1,0,0,0,0|1,0,0]=2 105 B6R0.2 CN(C)CC(=O)O SY005006 [0,1,0,0,0,0|1,0,0]=2 106 B6R0.2 C[C@@H](N)CC(=O)O SY019803 [0,1,0,0,0,0|1,0,0]=2 107 B6R0.2 C[C@@H](N)CC(=O)O SY025783 [0,1,0,0,0,0|1,0,0]=2 108 B6R0.2 C[C@@H](O)CC(=O)[O-] SY107283 [0,1,0,0,0,0|1,0,0]=2 109 B6R0.2 C[C@H](N)CC(=O)O SY022578 [0,1,0,0,0,0|1,0,0]=2 110 B6R0.2 C[C@H](N)CC(=O)O SY025782 [0,1,0,0,0,0|1,0,0]=2 111 B6R0.2 C[C@H](O)C[C@H](C)O SY066746 [0,1,0,0,0,0|1,0,2]=4 112 B6R0.2 N=C(N)CC(N)=O SY109396 [0,1,0,0,0,0|2,0,1]=4 113 B6R0.2 NC(=O)CC(N)=O SY018470 [0,1,0,0,0,0|2,0,1]=4 114 B6R0.2 O=C(O)CC(=O)O SY001875 [0,1,0,0,0,0|2,0,1]=4 115 B6R0.3 C=C[C@H](C)[C@H](C)O SY267898 [0,1,0,0,0,0|2,0,0]=3 116 B6R0.3 CC(C)C(=N)NO SY010510 [0,1,0,0,0,0|1,0,2]=4 117 B6R0.3 CC(C)C(=N)NO SY129127 [0,1,0,0,0,0|1,0,2]=4 118 B6R0.3 CC(C)C(=O)CN SY186390 [0,1,0,0,0,0|1,0,2]=4 119 B6R0.3 CC(C)C(=O)NN SY041947 [0,1,0,0,0,0|2,0,1]=4 120 B6R0.3 CC(C)C(N)CF SY045876 [0,1,0,0,0,0|1,0,1]=3 121 B6R0.3 CC(C)C(N)CO SY006455 [0,1,0,0,0,0|0,0,2]=3 122 B6R0.3 CC(C)N(C)N=O SY264258 [0,1,0,0,0,0|2,0,0]=3 123 B6R0.3 CC(C)[C@@H](N)CF SY045875 [0,1,0,0,0,0|1,0,1]=3 124 B6R0.3 CC(C)[C@@H](N)CO SY006320 [0,1,0,0,0,0|0,0,2]=3 125 B6R0.3 CC(C)[C@H](N)CF SY045871 [0,1,0,0,0,0|1,0,1]=3 126 B6R0.3 CC(C)[C@H](N)CO SY003828 [0,1,0,0,0,0|0,0,2]=3 127 B6R0.3 COC(=N)C(C)C SY274570 [0,1,0,0,0,0|2,0,1]=4 128 B6R0.3 C[C@@H](O)[C@H](N)CO SY009561 [0,1,0,0,0,0|1,0,2]=4 129 B6R0.3 C[C@H](O)[C@@H](N)CO SY034144 [0,1,0,0,0,0|1,0,2]=4 130 B6R0.4 C#CCCN(C)C SY261953 [0,1,0,0,0,0|2,0,1]=4 131 B6R0.4 C=CCC[C@H](C)O SY307699 [0,1,0,0,0,0|2,0,0]=3 132 B6R0.4 CC(C)CCCO SY016761 [0,1,0,0,0,0|0,0,2]=3 133 B6R0.4 CC(C)CCNN SY048082 [0,1,0,0,0,0|1,0,1]=3 134 B6R0.4 CC(C)CCON SY045359 [0,1,0,0,0,0|0,0,2]=3 135 B6R0.4 CC(C)CCON SY281670 [0,1,0,0,0,0|0,0,2]=3 136 B6R0.4 CC(C)NCCCl SY028925 [0,1,0,0,0,0|1,0,1]=3 137 B6R0.4 CC(C)OCC=O SY269035 [0,1,0,0,0,0|0,0,0]=1 138 B6R0.4 CC(C)OCCBr SY031858 [0,1,0,0,0,0|1,0,1]=3 139 B6R0.4 CC(Cl)CCCO SY207412 [0,1,0,0,0,0|1,0,2]=4 140 B6R0.4 CC(O)CCCO SY239899 [0,1,0,0,0,0|1,0,2]=4 141 B6R0.4 CN(C)CCC=O SY022382 [0,1,0,0,0,0|1,0,0]=2 142 B6R0.4 CN(C)CCCBr SY016763 [0,1,0,0,0,0|2,0,1]=4 143 B6R0.4 CN(C)CCCCl SY006370 [0,1,0,0,0,0|2,0,1]=4 144 B6R0.4 CN(C)CCCCl SY021395 [0,1,0,0,0,0|2,0,1]=4 145 B6R0.4 CN(C)CCCI SY247760 [0,1,0,0,0,0|2,0,1]=4 146 B6R0.4 CN(C)CCCI SY247768 [0,1,0,0,0,0|2,0,1]=4 147 B6R0.4 O=CNCC(=O)O SY052094 [0,1,0,0,0,0|2,0,1]=4 148 B6R0.5 C=CCC(C)(C)N SY264947 [0,1,0,0,0,0|1,0,0]=2 149 B6R0.5 CC(C)(C)CCBr SY031960 [0,1,0,0,0,0|1,0,1]=3 150 B6R0.5 CC(C)(C)CCN SY123555 [0,1,0,0,0,0|1,0,1]=3 151 B6R0.5 CC(C)(C)CON SY149479 [0,1,0,0,0,0|2,0,0]=3 152 B6R0.5 CC(C)(C)CON SY281749 [0,1,0,0,0,0|2,0,0]=3 153 B6R0.5 CC(C)(I)CCO SY248398 [0,1,0,0,0,0|0,0,2]=3 154 B6R0.5 CC(C)(N)CCO SY025601 [0,1,0,0,0,0|0,0,2]=3 155 B6R0.5 CC(C)(N)CCO SY029973 [0,1,0,0,0,0|0,0,2]=3 156 B6R0.5 CC(C)(O)CCBr SY043014 [0,1,0,0,0,0|1,0,1]=3 157 B6R0.5 CC(C)(O)CON SY164879 [0,1,0,0,0,0|2,0,0]=3 158 B6R0.5 CNCC(C)(C)O SY123563 [0,1,0,0,0,0|2,0,0]=3 159 B6R0.5 COCC(C)(C)N SY023626 [0,1,0,0,0,0|2,0,0]=3 160 B6R0.5 COCC(C)(C)N SY026408 [0,1,0,0,0,0|2,0,0]=3 161 B6R0.5 COCC(C)(C)O SY285974 [0,1,0,0,0,0|2,0,0]=3 162 B6R0.5 CSCC(C)(C)N SY196988 [0,1,0,0,0,0|2,0,0]=3 163 B6R0.5 C[N+](C)(C)CCO SY129307 [0,1,0,0,0,0|1,0,2]=4 164 B6R0.5 C[Si](C)(C)CC#N SY107268 [0,1,0,0,0,0|1,1,1]=4 165 B6R0.5 C[Si](C)(C)CCCl SY201843 [0,1,0,0,0,0|1,1,1]=4 166 B6R1.2 CC1CCCN1 SY042657 [0,0,0,1,0,0|2,0,1]=4 167 B6R1.2 CN1CCNC1 SY251230 [0,0,0,1,0,0|2,0,1]=4 168 B6R1.2 C[C@@H]1CCCN1 SY019809 [0,0,0,1,0,0|2,0,1]=4 169 B6R1.2 C[C@@H]1CCNC1 SY097390 [0,0,0,1,0,0|1,0,1]=3 170 B6R1.2 C[C@H]1CCCN1 SY019821 [0,0,0,1,0,0|2,0,1]=4 171 B6R1.2 C[C@H]1CCNC1 SY097402 [0,0,0,1,0,0|1,0,1]=3 172 B6R1.2 C[S+]1CCCC1 SY251130 [0,0,0,1,0,0|2,0,1]=4 173 B6R1.2 ClC1CCOC1 SY185690 [0,0,0,1,0,0|1,0,2]=4 174 B6R1.2 Cl[C@@H]1CCNC1 SY281534 [0,0,0,1,0,0|2,0,1]=4 175 B6R1.2 FC1CCNC1 SY032538 [0,0,0,1,0,0|2,0,1]=4 176 B6R1.2 F[C@@H]1CCNC1 SY008511 [0,0,0,1,0,0|2,0,1]=4 177 B6R1.2 F[C@H]1CCNC1 SY008512 [0,0,0,1,0,0|2,0,1]=4 178 B6R1.2 IC1CCCC1 SY019127 [0,0,0,1,0,0|2,0,1]=4 179 B6R1.2 IC1CCOC1 SY042009 [0,0,0,1,0,0|1,0,2]=4 180 B6R1.2 NC1CC=CC1 SY019807 [0,0,0,1,0,0|2,0,0]=3 181 B6R1.2 NC1CCNC1 SY005919 [0,0,0,1,0,0|2,0,1]=4 182 B6R1.2 NC1CCOC1 SY003277 [0,0,0,1,0,0|1,0,2]=4 183 B6R1.2 NC1CCOC1 SY042059 [0,0,0,1,0,0|1,0,2]=4 184 B6R1.2 N[C@@H]1CCOC1 SY020665 [0,0,0,1,0,0|1,0,2]=4 185 B6R1.2 N[C@@H]1CCOC1 SY024464 [0,0,0,1,0,0|1,0,2]=4 186 B6R1.2 N[C@H]1CCNC1 SY057131 [0,0,0,1,0,0|2,0,1]=4 187 B6R1.2 N[C@H]1CCOC1 SY020664 [0,0,0,1,0,0|1,0,2]=4 188 B6R1.2 N[C@H]1CCOC1 SY024406 [0,0,0,1,0,0|1,0,2]=4 189 B6R1.2 OC1CC=CC1 SY007884 [0,0,0,1,0,0|2,0,0]=3 190 B6R1.2 OC1CCNC1 SY001203 [0,0,0,1,0,0|2,0,1]=4 191 B6R1.2 OC1CCNC1 SY003143 [0,0,0,1,0,0|2,0,1]=4 192 B6R1.2 OC1CCOC1 SY003288 [0,0,0,1,0,0|1,0,2]=4 193 B6R1.2 OC1CCSC1 SY185762 [0,0,0,1,0,0|1,1,1]=4 194 B6R1.2 O[C@@H]1CCNC1 SY003191 [0,0,0,1,0,0|2,0,1]=4 195 B6R1.2 O[C@@H]1CCNC1 SY018523 [0,0,0,1,0,0|2,0,1]=4 196 B6R1.2 O[C@@H]1CCOC1 SY016904 [0,0,0,1,0,0|1,0,2]=4 197 B6R1.2 O[C@@H]1CNOC1 SY021787 [0,0,0,1,0,0|2,0,1]=4 198 B6R1.2 O[C@H]1CCNC1 SY003190 [0,0,0,1,0,0|2,0,1]=4 199 B6R1.2 O[C@H]1CCNC1 SY007382 [0,0,0,1,0,0|2,0,1]=4 200 B6R1.2 O[C@H]1CCOC1 SY003096 [0,0,0,1,0,0|1,0,2]=4 201 B6R1.2 O[C@H]1CNOC1 SY021785 [0,0,0,1,0,0|2,0,1]=4 202 B6R1.3 BrC#CC1CC1 SY018270 [0,0,0,1,0,0|1,0,2]=4 203 B6R1.3 BrCCC1CC1 SY023093 [0,0,0,1,0,0|1,0,1]=3 204 B6R1.3 BrCCC1CO1 SY021183 [0,0,0,1,0,0|2,0,1]=4 205 B6R1.3 CCNC1CC1 SY027577 [0,0,0,1,0,0|2,0,1]=4 206 B6R1.3 CCNC1CC1 SY027695 [0,0,0,1,0,0|2,0,1]=4 207 B6R1.3 CNCC1CC1 SY029533 [0,0,0,1,0,0|2,0,0]=3 208 B6R1.3 CNCC1CC1 SY029534 [0,0,0,1,0,0|2,0,0]=3 209 B6R1.3 N#CCC1CC1 SY058947 [0,0,0,1,0,0|1,0,1]=3 210 B6R1.3 NCCC1CC1 SY042128 [0,0,0,1,0,0|1,0,1]=3 211 B6R1.3 NNCC1CC1 SY013383 [0,0,0,1,0,0|2,0,0]=3 212 B6R1.3 NNCC1CC1 SY042147 [0,0,0,1,0,0|2,0,0]=3 213 B6R1.3 NOCC1CC1 SY101356 [0,0,0,1,0,0|2,0,0]=3 214 B6R1.3 O=C=NC1CC1 SY008162 [0,0,0,1,0,0|1,0,1]=3 215 B6R1.3 OCCC1CC1 SY041938 [0,0,0,1,0,0|0,0,2]=3 216 B6R1.5 CC1CC(O)C1 SY203262 [0,0,0,1,0,0|0,0,2]=3 217 B6R1.5 CN1CC(N)C1 SY022763 [0,0,0,1,0,0|2,0,1]=4 218 B6R1.5 CN1CC(O)C1 SY017235 [0,0,0,1,0,0|1,0,2]=4 219 B6R1.5 CN1CC(O)C1 SY029236 [0,0,0,1,0,0|1,0,2]=4 220 B6R1.5 C[C@H]1C[C@H](C)N1 SY310795 [0,0,0,1,0,0|2,0,1]=4 221 B6R1.5 NC1CC(=O)C1 SY022838 [0,0,0,1,0,0|1,0,0]=2 222 B6R1.5 NC1CC(F)C1 SY097608 [0,0,0,1,0,0|2,0,1]=4 223 B6R1.5 NC1CC(O)C1 SY016148 [0,0,0,1,0,0|1,0,2]=4 224 B6R1.5 NC1CC(O)C1 SY025077 [0,0,0,1,0,0|1,0,2]=4 225 B6R1.5 N[C@H]1C[C@@H](O)C1 SY035914 [0,0,0,1,0,0|1,0,2]=4 226 B6R1.5 N[C@H]1C[C@@H](O)C1 SY039961 [0,0,0,1,0,0|1,0,2]=4 227 B6R1.5 N[C@H]1C[C@H](F)C1 SY099957 [0,0,0,1,0,0|2,0,1]=4 228 B6R1.5 N[C@H]1C[C@H](O)C1 SY035915 [0,0,0,1,0,0|1,0,2]=4 229 B6R1.5 O=C1CC(Br)C1 SY029031 [0,0,0,1,0,0|1,0,0]=2 230 B6R1.5 OC1CC(O)C1 SY233801 [0,0,0,1,0,0|1,0,2]=4 231 B6R1.10 CC1(C)CCN1 SY310792 [0,0,0,1,0,0|1,0,1]=3 232 B6R1.10 CC1(C)CNC1 SY026161 [0,0,0,1,0,0|2,0,0]=3 233 B6R1.10 CC1(F)CNC1 SY042333 [0,0,0,1,0,0|3,0,0]=4 234 B6R1.10 CC1(N)CCC1 SY025586 [0,0,0,1,0,0|2,0,1]=4 235 B6R1.10 CC1(N)COC1 SY051262 [0,0,0,1,0,0|3,0,0]=4 236 B6R1.10 CC1(N)COC1 SY097567 [0,0,0,1,0,0|3,0,0]=4 237 B6R1.10 CC1(O)CCC1 SY196215 [0,0,0,1,0,0|2,0,1]=4 238 B6R1.10 CC1(O)CNC1 SY035860 [0,0,0,1,0,0|3,0,0]=4 239 B6R1.10 CC1(O)CNC1 SY111204 [0,0,0,1,0,0|3,0,0]=4 240 B6R1.10 CC1(O)COC1 SY097550 [0,0,0,1,0,0|3,0,0]=4 241 B6R1.11 CC(N)C1CC1 SY023598 [0,0,0,1,0,0|2,0,1]=4 242 B6R1.11 C[C@@H](N)C1CC1 SY111958 [0,0,0,1,0,0|2,0,1]=4 243 B6R1.11 C[C@H](N)C1CC1 SY099127 [0,0,0,1,0,0|2,0,1]=4 244 B3R0.1 CCON SY009566 [2,0,0,0,0,0|2,0,0]=4 245 B3R0.1 COCBr SY029084 [2,0,0,0,0,0|2,0,0]=4 246 B3R0.1 FCCI SY024380 [2,0,0,0,0,0|2,0,0]=4 247 B3R0.1 ICCI SY045649 [2,0,0,0,0,0|2,0,0]=4 248 B3R0.1 NCCF SY009337 [2,0,0,0,0,0|2,0,0]=4 249 B3R0.1 NCCI SY155633 [2,0,0,0,0,0|2,0,0]=4 250 B3R0.2 CC(=O)O SY001386 [2,0,0,0,0,0|1,0,1]=4 251 B3R0.2 CC(=O)O SY004125 [2,0,0,0,0,0|1,0,1]=4 252 B3R0.2 CC(=O)[O-] SY001322 [2,0,0,0,0,0|1,0,1]=4 253 B3R0.2 CC(=O)[O-] SY010327 [2,0,0,0,0,0|1,0,1]=4 254 B3R0.2 CC(=O)[O-] SY011498 [2,0,0,0,0,0|1,0,1]=4 255 B3R0.2 CC(=O)[O-] SY011745 [2,0,0,0,0,0|1,0,1]=4 256 B3R0.2 CC(=O)[O-] SY011809 [2,0,0,0,0,0|1,0,1]=4 257 B3R0.2 CC(=O)[O-] SY011846 [2,0,0,0,0,0|1,0,1]=4 258 B3R0.2 CC(=O)[O-] SY013501 [2,0,0,0,0,0|1,0,1]=4 259 B3R0.2 CC(=O)[O-] SY027391 [2,0,0,0,0,0|1,0,1]=4 260 B3R0.2 CC(=O)[O-] SY045651 [2,0,0,0,0,0|1,0,1]=4 261 B3R0.2 CC(=O)[O-] SY067119 [2,0,0,0,0,0|1,0,1]=4 262 B3R0.2 CC(=O)[O-] SY256925 [2,0,0,0,0,0|1,0,1]=4 263 B3R0.2 CC(=O)[O-] SY257453 [2,0,0,0,0,0|1,0,1]=4 264 B3R0.2 CC(C)N SY107348 [2,0,0,0,0,0|1,0,0]=3 265 B3R0.2 CN(C)C SY010907 [2,0,0,0,0,0|1,0,0]=3 266 B3R0.2 CS(=O)[O-] SY002584 [2,0,0,0,0,0|2,0,0]=4 267 B3R0.2 C[S+](C)C SY011509 [2,0,0,0,0,0|1,0,0]=3 268 B3R0.2 C[S+](C)C SY019516 [2,0,0,0,0,0|1,0,0]=3 269 B3R0.2 P(C)(C)=O SY009874 [2,0,0,0,0,0|1,0,0]=3 270 B3R0.2 P(C)(C)=O SY237149 [2,0,0,0,0,0|1,0,0]=3 271 B5R0.3 C#C[C@H](C)OC SY282343 [1,1,0,0,0,0|0,0,2]=4 272 B5R0.3 C=CC(C)ON SY039116 [1,1,0,0,0,0|1,0,1]=4 273 B5R0.3 C=CC(O)CO SY275096 [1,1,0,0,0,0|1,0,1]=4 274 B5R0.3 C=C[C@@H](N)CO SY211186 [1,1,0,0,0,0|1,0,1]=4 275 B5R0.3 C=C[C@H](N)CO SY101322 [1,1,0,0,0,0|1,0,1]=4 276 B5R0.3 CC(=CI)CI SY271392 [1,1,0,0,0,0|1,0,1]=4 277 B5R0.3 CC(CBr)CBr SY038831 [1,1,0,0,0,0|1,0,0]=3 278 B5R0.3 CC(CI)CI SY248411 [1,1,0,0,0,0|1,0,0]=3 279 B5R0.3 CCC(Br)CC SY050135 [1,1,0,0,0,0|1,0,1]=4 280 B5R0.3 CC[C@@H](N)CO SY049464 [1,1,0,0,0,0|1,0,1]=4 281 B5R0.3 CC[C@H](N)CF SY045883 [1,1,0,0,0,0|1,0,1]=4 282 B5R0.3 CNC(C)C#N SY019549 [1,1,0,0,0,0|1,0,1]=4 283 B5R0.3 CNC(C)CO SY082195 [1,1,0,0,0,0|0,0,1]=3 284 B5R0.3 COC(C)CBr SY298794 [1,1,0,0,0,0|1,0,0]=3 285 B5R0.3 CO[C@@H](C)CN SY114788 [1,1,0,0,0,0|1,0,0]=3 286 B5R0.3 C\C(=C/I)CO SY270524 [1,1,0,0,0,0|1,0,1]=4 287 B5R0.3 C\C(=C\I)CI SY248780 [1,1,0,0,0,0|1,0,1]=4 288 B5R0.3 FCC(I)CF SY249443 [1,1,0,0,0,0|2,0,0]=4 289 B5R0.3 NCC(Br)CBr SY006726 [1,1,0,0,0,0|2,0,0]=4 290 B5R0.3 NCC(F)CO SY260924 [1,1,0,0,0,0|1,0,1]=4 291 B5R0.3 NCC(O)CN SY013661 [1,1,0,0,0,0|2,0,0]=4 292 B5R0.3 NC[C@@H](O)CO SY008127 [1,1,0,0,0,0|1,0,1]=4 293 B5R0.3 NC[C@H](O)CBr SY294054 [1,1,0,0,0,0|2,0,0]=4 294 B5R0.3 NC[C@H](O)CCl SY060396 [1,1,0,0,0,0|2,0,0]=4 295 B5R0.3 O=CC(Br)C=O SY002049 [1,1,0,0,0,0|1,0,1]=4 296 B5R0.3 OC(CBr)CBr SY012889 [1,1,0,0,0,0|2,0,0]=4 297 B5R0.4 CC(C)(Br)C=O SY251082 [1,1,0,0,0,0|0,0,0]=2 298 B5R0.4 CC(C)(C)CCl SY048171 [1,1,0,0,0,0|1,0,0]=3 299 B5R0.4 CC(C)(C)NO SY036171 [1,1,0,0,0,0|1,0,1]=4 300 B5R0.4 CC(C)(C)ON SY025901 [1,1,0,0,0,0|2,0,0]=4 301 B5R0.4 CC(C)(F)CBr SY027377 [1,1,0,0,0,0|1,0,0]=3 302 B5R0.4 CC(C)(F)CI SY028245 [1,1,0,0,0,0|1,0,0]=3 303 B5R0.4 CC(C)(F)CO SY029466 [1,1,0,0,0,0|0,0,1]=3 304 B5R0.4 CC(C)(N)C#N SY046540 [1,1,0,0,0,0|1,0,1]=4 305 B5R0.4 CC(C)(O)CBr SY236333 [1,1,0,0,0,0|1,0,0]=3 306 B5R0.4 CC(C)(O)CN SY022204 [1,1,0,0,0,0|1,0,0]=3 307 B5R0.4 CC(C)(O)CO SY107922 [1,1,0,0,0,0|0,0,1]=3 308 B5R0.4 CC(F)(F)CN SY029653 [1,1,0,0,0,0|2,0,0]=4 309 B5R0.4 CC(F)(F)CO SY029658 [1,1,0,0,0,0|1,0,1]=4 310 B5R0.5 C=C(C)C(C)O SY145959 [1,1,0,0,0,0|1,0,1]=4 311 B5R0.5 C=C(C)C(N)=O SY010261 [1,1,0,0,0,0|0,0,2]=4 312 B5R0.5 CC(=O)C(F)F SY013768 [1,1,0,0,0,0|2,0,0]=4 313 B5R0.5 CC(Br)C(N)=O SY106825 [1,1,0,0,0,0|1,0,0]=3 314 B5R0.5 CC(C)B(O)O SY006229 [1,1,0,0,0,0|1,0,1]=4 315 B5R0.5 CC(C)C(=N)N SY024838 [1,1,0,0,0,0|1,0,0]=3 316 B5R0.5 CC(C)C(I)I SY248412 [1,1,0,0,0,0|1,0,0]=3 317 B5R0.5 CC(C)C(N)=O SY015332 [1,1,0,0,0,0|0,0,0]=2 318 B5R0.5 CC(C)[C@H](C)N SY059202 [1,1,0,0,0,0|0,0,1]=3 319 B5R0.5 CC(N)C(=O)O SY005245 [1,1,0,0,0,0|1,0,0]=3 320 B5R0.5 CC(N)C(N)=O SY012823 [1,1,0,0,0,0|1,0,0]=3 321 B5R0.5 CC(N)C(N)=O SY027188 [1,1,0,0,0,0|1,0,0]=3 322 B5R0.5 C[C@@H](Br)C(=O)O SY102226 [1,1,0,0,0,0|1,0,0]=3 323 B5R0.5 C[C@@H](N)C(=O)O SY002277 [1,1,0,0,0,0|1,0,0]=3 324 B5R0.5 C[C@@H](N)C(N)=O SY030965 [1,1,0,0,0,0|1,0,0]=3 325 B5R0.5 C[C@@H](N)C(N)=O SY111070 [1,1,0,0,0,0|1,0,0]=3 326 B5R0.5 C[C@@H](O)C(N)=O SY022608 [1,1,0,0,0,0|1,0,0]=3 327 B5R0.5 C[C@@H](O)[C@@H](C)O SY047189 [1,1,0,0,0,0|1,0,1]=4 328 B5R0.5 C[C@H](Cl)C(=O)O SY018972 [1,1,0,0,0,0|1,0,0]=3 329 B5R0.5 C[C@H](N)C(N)=O SY031439 [1,1,0,0,0,0|1,0,0]=3 330 B5R0.5 C[C@H](O)[C@H](C)O SY057405 [1,1,0,0,0,0|1,0,1]=4 331 B5R0.5 O=C(O)C(F)Br SY040308 [1,1,0,0,0,0|2,0,0]=4 332 B5R0.5 O=C(O)C(F)Cl SY275169 [1,1,0,0,0,0|2,0,0]=4 333 B5R0.5 O=C(O)[C@@H](F)Cl SY276751 [1,1,0,0,0,0|2,0,0]=4 334 B5R0.5 O=C(O)[C@H](F)Cl SY276752 [1,1,0,0,0,0|2,0,0]=4 335 B5R0.2 C#CCCCO SY007472 [1,1,0,0,0,0|1,0,1]=4 336 B5R0.2 C#CCCOC SY261977 [1,1,0,0,0,0|1,0,1]=4 337 B5R0.2 C=CCCCCl SY115227 [1,1,0,0,0,0|1,0,0]=3 338 B5R0.2 C=CCCCN SY039810 [1,1,0,0,0,0|1,0,0]=3 339 B5R0.2 C=CCCON SY201687 [1,1,0,0,0,0|2,0,0]=4 340 B5R0.2 C=CCCON SY281557 [1,1,0,0,0,0|2,0,0]=4 341 B5R0.2 CCC#CC=O SY301692 [1,1,0,0,0,0|0,0,1]=3 342 B5R0.2 CCCCNN SY048097 [1,1,0,0,0,0|1,0,1]=4 343 B5R0.2 CCCCON SY013356 [1,1,0,0,0,0|0,0,2]=4 344 B5R0.2 CCCCON SY019069 [1,1,0,0,0,0|0,0,2]=4 345 B5R0.2 CNCCSC SY020435 [1,1,0,0,0,0|2,0,0]=4 346 B5R0.2 COCCNN SY048076 [1,1,0,0,0,0|2,0,0]=4 347 B5R0.2 ClCCCCI SY049669 [1,1,0,0,0,0|1,0,1]=4 348 B5R0.2 ICCCCI SY037746 [1,1,0,0,0,0|1,0,1]=4 349 B5R0.2 N#CCCC=O SY273827 [1,1,0,0,0,0|0,0,1]=3 350 B5R0.2 N#CCCCBr SY012834 [1,1,0,0,0,0|1,0,1]=4 351 B5R0.2 N#CCCCCl SY001790 [1,1,0,0,0,0|1,0,1]=4 352 B5R0.2 NCCCCBr SY113500 [1,1,0,0,0,0|1,0,1]=4 353 B5R0.2 NCCCCN SY004150 [1,1,0,0,0,0|1,0,1]=4 354 B5R0.2 NCCCCO SY001196 [1,1,0,0,0,0|0,0,2]=4 355 B5R0.2 NCCCON SY273643 [1,1,0,0,0,0|2,0,0]=4 356 B5R0.2 NOCCCO SY204344 [1,1,0,0,0,0|2,0,0]=4 357 B5R0.2 NOCCCO SY281570 [1,1,0,0,0,0|2,0,0]=4 358 B7R0.2 C=CC(=O)NC(C)C SY010883 [0,2,0,0,0,0|1,0,0]=3 359 B7R0.2 CC(C)CC(N)C#N SY021412 [0,2,0,0,0,0|1,0,1]=4 360 B7R0.2 CC(C)CC(N)C#N SY021415 [0,2,0,0,0,0|1,0,1]=4 361 B7R0.2 CC(C)CC(N)CF SY045878 [0,2,0,0,0,0|1,0,1]=4 362 B7R0.2 CC(C)CC(N)CO SY030475 [0,2,0,0,0,0|0,0,2]=4 363 B7R0.2 CC(C)C[C@@H](N)CO SY030474 [0,2,0,0,0,0|0,0,2]=4 364 B7R0.2 CC(C)C[C@H](N)CO SY014112 [0,2,0,0,0,0|0,0,2]=4 365 B7R0.2 CC(C)NC(=O)CBr SY030482 [0,2,0,0,0,0|1,0,0]=3 366 B7R0.2 CC(C)NC(=O)CCl SY028776 [0,2,0,0,0,0|1,0,0]=3 367 B7R0.2 CC(C)OC(=O)CO SY022067 [0,2,0,0,0,0|1,0,0]=3 368 B7R0.2 CC(CCl)CC(=O)Cl SY027797 [0,2,0,0,0,0|0,0,0]=2 369 B7R0.2 CCC(C)CC(=O)Cl SY265619 [0,2,0,0,0,0|0,0,0]=2 370 B7R0.2 CCC(C)CC(C)N SY018617 [0,2,0,0,0,0|1,0,1]=4 371 B7R0.2 CN(C)\C=C(/Br)C=O SY246618 [0,2,0,0,0,0|1,0,1]=4 372 B7R0.2 CN(C=O)CC(=O)O SY224496 [0,2,0,0,0,0|1,0,1]=4 373 B7R0.2 COC(=O)CC(=O)O SY046546 [0,2,0,0,0,0|1,0,1]=4 374 B7R0.2 COC(=O)CC(=O)[O-] SY031346 [0,2,0,0,0,0|1,0,1]=4 375 B7R0.2 COC(=O)CC(N)=O SY031703 [0,2,0,0,0,0|1,0,1]=4 376 B7R0.2 COC(=O)C[C@@H](C)N SY024605 [0,2,0,0,0,0|1,0,0]=3 377 B7R0.2 COC(=O)C[C@@H](C)N SY024610 [0,2,0,0,0,0|1,0,0]=3 378 B7R0.2 COC(=O)C[C@@H](C)O SY018984 [0,2,0,0,0,0|1,0,0]=3 379 B7R0.2 COC(=O)C[C@H](C)N SY212047 [0,2,0,0,0,0|1,0,0]=3 380 B7R0.2 COC(=O)C[C@H](C)O SY018985 [0,2,0,0,0,0|1,0,0]=3 381 B7R0.2 O=C(Br)CC(=O)CBr SY287828 [0,2,0,0,0,0|1,0,1]=4 382 B7R0.2 O=C([O-])CC(O)CO SY296011 [0,2,0,0,0,0|1,0,0]=3 383 B7R0.2 O=C([O-])C[C@H](O)CO SY293279 [0,2,0,0,0,0|1,0,0]=3 384 B7R0.3 C[C@@H](CN)CCCO SY267124 [0,2,0,0,0,0|0,0,2]=4 385 B7R0.3 C[C@@H](CN)CCCO SY267125 [0,2,0,0,0,0|0,0,2]=4 386 B7R0.5 C=CCC(C)C(=O)O SY048335 [0,2,0,0,0,0|1,0,1]=4 387 B7R0.5 CC(=O)C(C)CCBr SY247638 [0,2,0,0,0,0|1,0,1]=4 388 B7R0.5 CC(C)C(=O)CC#N SY004538 [0,2,0,0,0,0|1,0,1]=4 389 B7R0.5 CC(C)C(=O)CCN SY263226 [0,2,0,0,0,0|1,0,1]=4 390 B7R0.5 CC(C)C(N)CCO SY015880 [0,2,0,0,0,0|0,0,2]=4 391 B7R0.10 CC[C@H](C)[C@H](N)CF SY045877 [0,2,0,0,0,0|1,0,1]=4 392 B7R0.10 CC[C@H](C)[C@H](N)CO SY014111 [0,2,0,0,0,0|0,0,2]=4 393 B7R0.10 COC(=O)C(C)C=O SY238219 [0,2,0,0,0,0|1,0,1]=4 394 B7R0.12 COCC(OC)OC SY050730 [0,2,0,0,0,0|2,0,0]=4 395 B7R0.12 NCCC(CO)CO SY309273 [0,2,0,0,0,0|1,0,1]=4 396 B7R0.9 CC(=O)CC(C)(C)N SY009235 [0,2,0,0,0,0|0,0,0]=2 397 B7R0.9 CC(C)(C)CB(O)O SY066938 [0,2,0,0,0,0|1,0,1]=4 398 B7R0.9 CC(C)(C)OC(N)=O SY009584 [0,2,0,0,0,0|1,0,0]=3 399 B7R0.9 CC(C)(N)CC(=O)O SY013584 [0,2,0,0,0,0|0,0,0]=2 400 B7R0.9 CC(C)(N)CC(=O)O SY013645 [0,2,0,0,0,0|0,0,0]=2 401 B7R0.9 CC(C)(O)CC(=O)O SY032937 [0,2,0,0,0,0|0,0,0]=2 402 B7R0.9 CC(C)CS(N)(=O)=O SY182818 [0,2,0,0,0,0|1,0,0]=3 403 B7R0.9 CC(C)NS(=O)(=O)Cl SY018712 [0,2,0,0,0,0|2,0,0]=4 404 B7R0.9 CC(C)NS(N)(=O)=O SY165450 [0,2,0,0,0,0|2,0,0]=4 405 B7R0.9 CC(C)OS(C)(=O)=O SY052242 [0,2,0,0,0,0|2,0,0]=4 406 B7R0.9 CS(=O)(=O)CC(=O)O SY003200 [0,2,0,0,0,0|2,0,0]=4 407 B7R0.9 CS(=O)(=O)CC(N)=O SY020025 [0,2,0,0,0,0|2,0,0]=4 408 B7R0.16 CC(=O)C(C)C(C)=O SY048147 [0,2,0,0,0,0|1,0,1]=4 409 B7R0.16 CC(C)C(=O)C(=O)O SY005235 [0,2,0,0,0,0|0,0,1]=3 410 B7R0.16 CC(C)C(N)C(N)=O SY047906 [0,2,0,0,0,0|0,0,0]=2 411 B7R0.16 CC(C)[C@@H](Br)C(=O)O SY033749 [0,2,0,0,0,0|0,0,0]=2 412 B7R0.16 CC(C)[C@@H](N)C(=O)O SY002593 [0,2,0,0,0,0|0,0,0]=2 413 B7R0.16 CC(C)[C@@H](N)C(N)=O SY024218 [0,2,0,0,0,0|0,0,0]=2 414 B7R0.16 CC(C)[C@@H](O)C(=O)O SY041974 [0,2,0,0,0,0|0,0,0]=2 415 B7R0.16 CC(C)[C@H](N)C(=O)O SY002589 [0,2,0,0,0,0|0,0,0]=2 416 B7R0.16 CC(C)[C@H](N)C(N)=O SY024217 [0,2,0,0,0,0|0,0,0]=2 417 B7R0.16 CN(C)C(=O)C(=O)O SY050473 [0,2,0,0,0,0|1,0,1]=4 418 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O SY026984 [0,2,0,0,0,0|1,0,0]=3 419 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O SY020053 [0,2,0,0,0,0|1,0,0]=3 420 B7R0.16 C[C@@H](O)[C@H](N)C(N)=O SY034086 [0,2,0,0,0,0|1,0,0]=3 421 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O SY018620 [0,2,0,0,0,0|1,0,0]=3 422 B7R0.16 C[C@H](O)[C@H](N)C(=O)O SY024226 [0,2,0,0,0,0|1,0,0]=3 423 B7R0.14 CC(C)(C)[C@@H](N)CO SY101530 [0,2,0,0,0,0|0,0,2]=4 424 B7R0.14 CC(C)(C)[C@H](N)CO SY038947 [0,2,0,0,0,0|0,0,2]=4 425 B7R0.14 CC(C)(O)C(F)CN SY246486 [0,2,0,0,0,0|1,0,1]=4 426 B7R0.14 CC(C)(O)[C@H](F)CN SY038852 [0,2,0,0,0,0|1,0,1]=4 427 B7R0.15 CCN(N=O)C(C)C SY264873 [0,2,0,0,0,0|2,0,0]=4 428 B7R0.4 CC(C)CC=CC=O SY298528 [0,2,0,0,0,0|0,0,0]=2 429 B7R0.4 CC(C)CCCCO SY083602 [0,2,0,0,0,0|0,0,2]=4 430 B7R0.4 CC(C)CCCON SY281839 [0,2,0,0,0,0|0,0,2]=4 431 B7R0.4 CC(C)CCCON SY281840 [0,2,0,0,0,0|0,0,2]=4 432 B7R0.4 CCCNCC(C)C SY034221 [0,2,0,0,0,0|1,0,1]=4 433 B7R0.6 CC(=O)CCC(N)=O SY273013 [0,2,0,0,0,0|1,0,1]=4 434 B7R0.6 CC(=O)NCC(=O)O SY013515 [0,2,0,0,0,0|1,0,1]=4 435 B7R0.6 CC(=O)OCC(C)O SY272306 [0,2,0,0,0,0|1,0,0]=3 436 B7R0.6 CC(C)CCB(O)O SY024043 [0,2,0,0,0,0|0,0,2]=4 437 B7R0.6 CC(C)CCC(=O)O SY001693 [0,2,0,0,0,0|0,0,0]=2 438 B7R0.6 CC(C)CCC(C)Br SY016753 [0,2,0,0,0,0|1,0,1]=4 439 B7R0.6 CC(C)CC[N+](=O)[O-] SY224455 [0,2,0,0,0,0|0,0,1]=3 440 B7R0.6 CC(Cl)CCC(=O)Cl SY027798 [0,2,0,0,0,0|1,0,0]=3 441 B7R0.6 CC(O)CCC(=O)[O-] SY159293 [0,2,0,0,0,0|1,0,0]=3 442 B7R0.6 CN(C)CCC(=O)O SY031864 [0,2,0,0,0,0|1,0,0]=3 443 B7R0.6 CN(C)\C=C\[N+](=O)[O-] SY007004 [0,2,0,0,0,0|1,0,1]=4 444 B7R0.6 C[C@@H](N)CCC(=O)O SY297613 [0,2,0,0,0,0|1,0,0]=3 445 B7R0.6 C[C@H](N)CCC(=O)O SY297612 [0,2,0,0,0,0|1,0,0]=3 446 B7R0.6 O=C(O)CSC(F)F SY172606 [0,2,0,0,0,0|2,0,0]=4 447 B7R0.8 CC(C)(O)CCCN SY024445 [0,2,0,0,0,0|1,0,1]=4 448 B7R0.8 CCCCC(C)(C)O SY051607 [0,2,0,0,0,0|1,0,1]=4 449 B7R0.8 C[Si](C)(C)C#CC=O SY029296 [0,2,0,0,0,0|0,1,1]=4 450 B5R1.2 BrC1CCC1 SY013810 [1,0,0,1,0,0|1,0,1]=4 451 B5R1.2 BrC1CNC1 SY097761 [1,0,0,1,0,0|2,0,0]=4 452 B5R1.2 CC1CCN1 SY099118 [1,0,0,1,0,0|1,0,1]=4 453 B5R1.2 CC1CNC1 SY056983 [1,0,0,1,0,0|1,0,0]=3 454 B5R1.2 C[C@@H]1CCN1 SY261901 [1,0,0,1,0,0|1,0,1]=4 455 B5R1.2 C[C@H]1CCN1 SY249704 [1,0,0,1,0,0|1,0,1]=4 456 B5R1.2 ClC1COC1 SY059296 [1,0,0,1,0,0|1,0,1]=4 457 B5R1.2 FC1CNC1 SY018074 [1,0,0,1,0,0|2,0,0]=4 458 B5R1.2 IC1CCC1 SY233989 [1,0,0,1,0,0|1,0,1]=4 459 B5R1.2 IC1COC1 SY009160 [1,0,0,1,0,0|1,0,1]=4 460 B5R1.2 NC1CCC1 SY013751 [1,0,0,1,0,0|1,0,1]=4 461 B5R1.2 NC1CNC1 SY033623 [1,0,0,1,0,0|2,0,0]=4 462 B5R1.2 NC1COC1 SY009105 [1,0,0,1,0,0|1,0,1]=4 463 B5R1.2 NC1CSC1 SY097616 [1,0,0,1,0,0|1,1,0]=4 464 B5R1.2 OC1CNC1 SY002482 [1,0,0,1,0,0|2,0,0]=4 465 B5R1.2 OC1COC1 SY002910 [1,0,0,1,0,0|1,0,1]=4 466 B5R1.2 OC1CSC1 SY099721 [1,0,0,1,0,0|1,1,0]=4 467 B5R1.3 ICC1CC1 SY266775 [1,0,0,1,0,0|1,0,0]=3 468 B5R1.3 NNC1CC1 SY024161 [1,0,0,1,0,0|2,0,0]=4 469 B5R1.3 OC[C@@H]1CO1 SY013955 [1,0,0,1,0,0|1,0,1]=4 470 B5R1.3 OC[C@H]1CO1 SY031944 [1,0,0,1,0,0|1,0,1]=4 471 B5R1.4 C[C@@H]1O[C@H]1C SY224137 [1,0,0,1,0,0|1,0,1]=4 472 B5R1.4 NC1CC1F SY265040 [1,0,0,1,0,0|2,0,0]=4 473 B5R1.4 NC1CC1N SY249366 [1,0,0,1,0,0|2,0,0]=4 474 B5R1.4 N[C@@H]1C[C@H]1F SY259032 [1,0,0,1,0,0|2,0,0]=4 475 B5R1.4 N[C@@H]1C[C@H]1N SY253855 [1,0,0,1,0,0|2,0,0]=4 476 B5R1.4 N[C@H]1C[C@H]1F SY265042 [1,0,0,1,0,0|2,0,0]=4 477 B5R1.4 N[C@H]1C[C@H]1N SY249367 [1,0,0,1,0,0|2,0,0]=4 478 B5R1.5 CC1(N)CC1 SY029028 [1,0,0,1,0,0|1,0,1]=4 479 B5R1.5 CC1(O)CC1 SY022540 [1,0,0,1,0,0|1,0,1]=4 480 B5R1.1 C1=CCNC1 SY012047 [1,0,0,1,0,0|2,0,0]=4 481 B7R1.1 BrCC1CCOC1 SY042030 [0,1,0,1,0,0|0,0,2]=4 482 B7R1.1 CNC1CCOC1 SY048009 [0,1,0,1,0,0|0,0,2]=4 483 B7R1.1 CN[C@@H]1CCOC1 SY268189 [0,1,0,1,0,0|0,0,2]=4 484 B7R1.1 COC1CCNC1 SY043121 [0,1,0,1,0,0|1,0,1]=4 485 B7R1.1 COC1CCNC1 SY097408 [0,1,0,1,0,0|1,0,1]=4 486 B7R1.1 CO[C@@H]1CCNC1 SY042148 [0,1,0,1,0,0|1,0,1]=4 487 B7R1.1 CO[C@@H]1CCNC1 SY056981 [0,1,0,1,0,0|1,0,1]=4 488 B7R1.1 CO[C@H]1CCNC1 SY042488 [0,1,0,1,0,0|1,0,1]=4 489 B7R1.1 FCC1CCNC1 SY265543 [0,1,0,1,0,0|1,0,1]=4 490 B7R1.1 NCC1CCCC1 SY013219 [0,1,0,1,0,0|1,0,1]=4 491 B7R1.1 NCC1CCCC1 SY025882 [0,1,0,1,0,0|1,0,1]=4 492 B7R1.1 NCC1CCOC1 SY042027 [0,1,0,1,0,0|0,0,2]=4 493 B7R1.1 OCC1CC=CC1 SY019811 [0,1,0,1,0,0|1,0,0]=3 494 B7R1.1 OCC1CCCC1 SY006011 [0,1,0,1,0,0|1,0,1]=4 495 B7R1.1 OCC1CCNC1 SY018506 [0,1,0,1,0,0|1,0,1]=4 496 B7R1.1 OCC1CCNC1 SY021497 [0,1,0,1,0,0|1,0,1]=4 497 B7R1.1 OCC1CCOC1 SY030918 [0,1,0,1,0,0|0,0,2]=4 498 B7R1.1 OC[C@@H]1CCNC1 SY008238 [0,1,0,1,0,0|1,0,1]=4 499 B7R1.1 OC[C@H]1CCNC1 SY008227 [0,1,0,1,0,0|1,0,1]=4 500 B7R1.2 CC1=NNC(=O)C1 SY010796 [0,1,0,1,0,0|1,0,1]=4 501 B7R1.2 CC1CCC(=O)C1 SY003033 [0,1,0,1,0,0|0,0,0]=2 502 B7R1.2 CC1CCC(=O)O1 SY011304 [0,1,0,1,0,0|1,0,0]=3 503 B7R1.2 CC1CCC(N)C1 SY156765 [0,1,0,1,0,0|1,0,1]=4 504 B7R1.2 CC1CNC(=O)C1 SY065050 [0,1,0,1,0,0|0,0,0]=2 505 B7R1.2 CC1COC(=O)N1 SY037847 [0,1,0,1,0,0|1,0,0]=3 506 B7R1.2 C[C@@H]1COC(=O)N1 SY037848 [0,1,0,1,0,0|1,0,0]=3 507 B7R1.2 C[C@@H]1COC(=O)O1 SY008770 [0,1,0,1,0,0|1,0,0]=3 508 B7R1.2 C[C@@H]1C[C@H](O)CN1 SY038467 [0,1,0,1,0,0|0,0,2]=4 509 B7R1.2 C[C@H]1COC(=O)N1 SY037849 [0,1,0,1,0,0|1,0,0]=3 510 B7R1.2 C[C@H]1COC(=O)O1 SY066861 [0,1,0,1,0,0|1,0,0]=3 511 B7R1.2 C[C@H]1C[C@@H](O)CN1 SY099690 [0,1,0,1,0,0|0,0,2]=4 512 B7R1.2 N[C@@H]1COC(=O)C1 SY033765 [0,1,0,1,0,0|1,0,0]=3 513 B7R1.2 N[C@H]1COC(=O)C1 SY033771 [0,1,0,1,0,0|1,0,0]=3 514 B7R1.2 O=C1CC(O)CN1 SY031844 [0,1,0,1,0,0|1,0,0]=3 515 B7R1.2 O=C1CCC(=O)C1 SY003377 [0,1,0,1,0,0|1,0,1]=4 516 B7R1.2 O=C1CCC(O)C1 SY040217 [0,1,0,1,0,0|1,0,0]=3 517 B7R1.2 O=C1COC(=O)C1 SY048546 [0,1,0,1,0,0|1,0,1]=4 518 B7R1.2 O=C1C[C@@H](O)CN1 SY030867 [0,1,0,1,0,0|1,0,0]=3 519 B7R1.2 O=C1C[C@@H](O)CO1 SY109477 [0,1,0,1,0,0|1,0,0]=3 520 B7R1.2 O=C1C[C@H](O)CN1 SY025368 [0,1,0,1,0,0|1,0,0]=3 521 B7R1.2 O=C1C[C@H](O)CO1 SY002401 [0,1,0,1,0,0|1,0,0]=3 522 B7R1.2 O=C1OCC(F)O1 SY017141 [0,1,0,1,0,0|2,0,0]=4 523 B7R1.3 CC1CNCCO1 SY008226 [0,1,0,1,0,0|1,0,1]=4 524 B7R1.3 CC1COCCN1 SY028991 [0,1,0,1,0,0|0,0,2]=4 525 B7R1.3 C[C@@H]1CCCNC1 SY069171 [0,1,0,1,0,0|1,0,1]=4 526 B7R1.3 C[C@@H]1CNCCN1 SY004931 [0,1,0,1,0,0|1,0,1]=4 527 B7R1.3 C[C@@H]1CNCCO1 SY021208 [0,1,0,1,0,0|1,0,1]=4 528 B7R1.3 C[C@@H]1CNCCO1 SY032742 [0,1,0,1,0,0|1,0,1]=4 529 B7R1.3 C[C@@H]1COCCN1 SY021211 [0,1,0,1,0,0|0,0,2]=4 530 B7R1.3 C[C@@H]1COCCN1 SY023875 [0,1,0,1,0,0|0,0,2]=4 531 B7R1.3 C[C@H]1CCCNC1 SY115150 [0,1,0,1,0,0|1,0,1]=4 532 B7R1.3 C[C@H]1CCCNC1 SY273114 [0,1,0,1,0,0|1,0,1]=4 533 B7R1.3 C[C@H]1CNCCO1 SY021210 [0,1,0,1,0,0|1,0,1]=4 534 B7R1.3 C[C@H]1CNCCO1 SY043150 [0,1,0,1,0,0|1,0,1]=4 535 B7R1.3 C[C@H]1COCCN1 SY002673 [0,1,0,1,0,0|0,0,2]=4 536 B7R1.3 C[C@H]1COCCN1 SY023874 [0,1,0,1,0,0|0,0,2]=4 537 B7R1.3 OC1CC=CCC1 SY264800 [0,1,0,1,0,0|2,0,0]=4 538 B7R1.4 C[C@@H]1CNC[C@@H]1O SY124368 [0,1,0,1,0,0|1,0,1]=4 539 B7R1.4 C[C@H]1CCC[C@H]1N SY254157 [0,1,0,1,0,0|1,0,1]=4 540 B7R1.6 CNCC1COC1 SY113244 [0,1,0,1,0,0|2,0,0]=4 541 B7R1.6 COCC1CCN1 SY122024 [0,1,0,1,0,0|2,0,0]=4 542 B7R1.6 COCC1CNC1 SY060329 [0,1,0,1,0,0|2,0,0]=4 543 B7R1.6 ICCC1COC1 SY249454 [0,1,0,1,0,0|1,0,1]=4 544 B7R1.6 NCCC1CNC1 SY263737 [0,1,0,1,0,0|1,0,1]=4 545 B7R1.6 NOCC1CCC1 SY216380 [0,1,0,1,0,0|2,0,0]=4 546 B7R1.6 NOCC1CCC1 SY281574 [0,1,0,1,0,0|2,0,0]=4 547 B7R1.6 O=CCC1CCC1 SY025254 [0,1,0,1,0,0|0,0,0]=2 548 B7R1.6 OCCC1CCO1 SY099736 [0,1,0,1,0,0|0,0,2]=4 549 B7R1.6 OCCC1COC1 SY097532 [0,1,0,1,0,0|0,0,2]=4 550 B7R1.9 COC1CC1C=O SY277013 [0,1,0,1,0,0|0,0,0]=2 551 B7R1.10 C=C1CC(C#N)C1 SY035872 [0,1,0,1,0,0|1,0,1]=4 552 B7R1.10 CC1CC(CO)C1 SY217481 [0,1,0,1,0,0|0,0,2]=4 553 B7R1.10 CCC1CC(=O)C1 SY200344 [0,1,0,1,0,0|0,0,0]=2 554 B7R1.10 CN1CC(CO)C1 SY233850 [0,1,0,1,0,0|2,0,0]=4 555 B7R1.10 CNC1CN(C)C1 SY031560 [0,1,0,1,0,0|2,0,0]=4 556 B7R1.10 COC1CC(=O)C1 SY098914 [0,1,0,1,0,0|0,0,0]=2 557 B7R1.10 CO[C@H]1C[C@H](N)C1 SY100296 [0,1,0,1,0,0|1,0,1]=4 558 B7R1.10 N#CC1CC(=O)C1 SY024404 [0,1,0,1,0,0|0,0,1]=3 559 B7R1.10 NC1CC(CO)C1 SY098739 [0,1,0,1,0,0|1,0,1]=4 560 B7R1.10 NCC1CC(O)C1 SY098741 [0,1,0,1,0,0|0,0,2]=4 561 B7R1.10 NC[C@H]1C[C@@H](O)C1 SY098823 [0,1,0,1,0,0|0,0,2]=4 562 B7R1.10 N[C@H]1C[C@H](CO)C1 SY038401 [0,1,0,1,0,0|1,0,1]=4 563 B7R1.10 O=C1CC(CBr)O1 SY250803 [0,1,0,1,0,0|1,0,0]=3 564 B7R1.10 O=C1C[C@@H](CO)N1 SY278869 [0,1,0,1,0,0|1,0,0]=3 565 B7R1.21 N#CCC1(N)CC1 SY271817 [0,1,0,1,0,0|1,0,1]=4 566 B7R1.22 C#CC(N)C1CC1 SY226575 [0,1,0,1,0,0|1,0,1]=4 567 B7R1.22 C#CC(N)C1CC1 SY233668 [0,1,0,1,0,0|1,0,1]=4 568 B7R1.22 C=C[C@H](O)[C@H]1CO1 SY268637 [0,1,0,1,0,0|2,0,0]=4 569 B7R1.22 NC(CO)C1CC1 SY285678 [0,1,0,1,0,0|0,0,2]=4 570 B7R1.25 CC1(CBr)CCC1 SY265178 [0,1,0,1,0,0|1,0,1]=4 571 B7R1.25 CC1(CBr)COC1 SY008845 [0,1,0,1,0,0|2,0,0]=4 572 B7R1.25 CC1(CI)COC1 SY041717 [0,1,0,1,0,0|2,0,0]=4 573 B7R1.25 CC1(CN)CCC1 SY042130 [0,1,0,1,0,0|1,0,1]=4 574 B7R1.25 CC1(CN)COC1 SY008846 [0,1,0,1,0,0|2,0,0]=4 575 B7R1.25 CC1(CO)CNC1 SY037707 [0,1,0,1,0,0|2,0,0]=4 576 B7R1.25 CC1(CO)COC1 SY004123 [0,1,0,1,0,0|2,0,0]=4 577 B7R1.25 COC1(C)CNC1 SY042211 [0,1,0,1,0,0|2,0,0]=4 578 B7R1.12 CC1=CC1C(=O)O SY273475 [0,1,0,1,0,0|0,0,2]=4 579 B7R1.12 C[C@H]1C[C@@H]1B(O)O SY297714 [0,1,0,1,0,0|1,0,1]=4 580 B7R1.12 O=C(O)C1CC1F SY073271 [0,1,0,1,0,0|1,0,0]=3 581 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F SY069957 [0,1,0,1,0,0|1,0,0]=3 582 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F SY071317 [0,1,0,1,0,0|1,0,0]=3 583 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I SY263918 [0,1,0,1,0,0|1,0,0]=3 584 B7R1.12 O=C(O)[C@@H]1C[C@H]1F SY071548 [0,1,0,1,0,0|1,0,0]=3 585 B7R1.12 O=C(O)[C@H]1C[C@H]1F SY071316 [0,1,0,1,0,0|1,0,0]=3 586 B7R1.12 O=C(O)[C@H]1C[C@H]1I SY245634 [0,1,0,1,0,0|1,0,0]=3 587 B7R1.16 CC1(O)CC(=O)C1 SY297165 [0,1,0,1,0,0|0,0,0]=2 588 B7R1.16 CC1(O)CC(O)C1 SY297164 [0,1,0,1,0,0|0,0,2]=4 589 B7R1.16 C[C@]1(N)C[C@@H](O)C1 SY099977 [0,1,0,1,0,0|0,0,2]=4 590 B7R1.16 C[C@]1(O)C[C@@H](N)C1 SY099872 [0,1,0,1,0,0|1,0,1]=4 591 B7R1.16 C[C@]1(O)C[C@H](N)C1 SY099871 [0,1,0,1,0,0|1,0,1]=4 592 B7R1.16 NC1CS(=O)(=O)C1 SY123967 [0,1,0,1,0,0|2,0,0]=4 593 B7R1.16 NC1CS(=O)(=O)C1 SY259709 [0,1,0,1,0,0|2,0,0]=4 594 B7R1.16 O=C1CC(F)(F)C1 SY021891 [0,1,0,1,0,0|1,0,0]=3 595 B7R1.16 O=S1(=O)CC(Br)C1 SY192900 [0,1,0,1,0,0|2,0,0]=4 596 B7R1.20 O=C(Cl)CC1CC1 SY237128 [0,1,0,1,0,0|0,0,0]=2 597 B7R1.20 O=C(Cl)OC1CC1 SY248051 [0,1,0,1,0,0|1,0,0]=3 598 B7R1.17 O=C1CCC1(Br)Br SY283115 [0,1,0,1,0,0|2,0,0]=4 599 B7R1.23 CC1(C)OC1CBr SY250816 [0,1,0,1,0,0|1,0,1]=4 600 B7R1.7 O=C\C=C\C1CC1 SY298530 [0,1,0,1,0,0|0,0,1]=3 601 B7R1.14 CC1(C)C=CCC1 SY264810 [0,1,0,1,0,0|1,0,0]=3 602 B7R1.14 CC1(C)CCCN1 SY018505 [0,1,0,1,0,0|1,0,1]=4 603 B7R1.14 CC1(C)CCCN1 SY081253 [0,1,0,1,0,0|1,0,1]=4 604 B7R1.14 CC1(C)CCNC1 SY042120 [0,1,0,1,0,0|1,0,1]=4 605 B7R1.14 CC1(O)CCNC1 SY036721 [0,1,0,1,0,0|1,0,1]=4 606 B7R1.14 C[C@@]1(O)CCNC1 SY233757 [0,1,0,1,0,0|1,0,1]=4 607 B7R1.14 C[C@@]1(O)CCNC1 SY310803 [0,1,0,1,0,0|1,0,1]=4 608 B7R1.14 C[C@]1(O)CCNC1 SY233715 [0,1,0,1,0,0|1,0,1]=4 609 B7R1.14 C[C@]1(O)CCNC1 SY233747 [0,1,0,1,0,0|1,0,1]=4 610 B7R2.11 C1NC2CC1C2 SY098317 [0,0,0,2,0,0|1,0,1]=4 611 B7R2.13 C1CC2CC2C1 SY274842 [0,0,0,2,0,0|1,0,1]=4 612 B7R2.13 C1NCC2CC12 SY029030 [0,0,0,2,0,0|1,0,1]=4 613 B7R2.1 C1CC1C2CO2 SY143495 [0,0,0,2,0,0|0,0,2]=4 614 B7R2.16 C1CC12CNC2 SY269596 [0,0,0,2,0,0|2,0,0]=4 615 B7R2.5 NC12CC(C1)C2 SY034562 [0,0,0,2,0,0|1,0,1]=4