0 B4R0.2 BrCCCI SY288042 [0,0,0,0,0,0|3,0,0]=3 1 B4R0.2 BrCOCBr SY231337 [0,0,0,0,0,0|2,1,0]=3 2 B4R0.2 C#CCCI SY026540 [0,0,0,0,0,0|2,0,2]=4 3 B4R0.2 C#CCCN SY007229 [0,0,0,0,0,0|2,0,2]=4 4 B4R0.2 C=CCCN SY036713 [0,0,0,0,0,0|2,0,2]=4 5 B4R0.2 CC=CC[Pd+2] SY070788 [0,0,0,0,0,0|2,0,1]=3 6 B4R0.2 CCCNN SY048075 [0,0,0,0,0,0|3,0,0]=3 7 B4R0.2 CCCON SY096737 [0,0,0,0,0,0|3,0,0]=3 8 B4R0.2 CCOC=N SY041120 [0,0,0,0,0,0|1,1,1]=3 9 B4R0.2 CNCC#N SY003939 [0,0,0,0,0,0|3,0,1]=4 10 B4R0.2 CNCCBr SY044997 [0,0,0,0,0,0|3,0,0]=3 11 B4R0.2 CNCCF SY122542 [0,0,0,0,0,0|3,0,0]=3 12 B4R0.2 CNCCN SY023647 [0,0,0,0,0,0|3,0,0]=3 13 B4R0.2 COCC#N SY003878 [0,0,0,0,0,0|3,0,1]=4 14 B4R0.2 COCCI SY248715 [0,0,0,0,0,0|3,0,0]=3 15 B4R0.2 ClCCCI SY031611 [0,0,0,0,0,0|3,0,0]=3 16 B4R0.2 FCCCI SY025148 [0,0,0,0,0,0|3,0,0]=3 17 B4R0.2 ICCCI SY045006 [0,0,0,0,0,0|3,0,0]=3 18 B4R0.2 N#CCCO SY005485 [0,0,0,0,0,0|3,0,1]=4 19 B4R0.2 NCCCBr SY008325 [0,0,0,0,0,0|3,0,0]=3 20 B4R0.2 NCCCCl SY001694 [0,0,0,0,0,0|3,0,0]=3 21 B4R0.2 NCCCI SY154270 [0,0,0,0,0,0|3,0,0]=3 22 B4R0.2 NOCCO SY007135 [0,0,0,0,0,0|4,0,0]=4 23 B4R0.2 OCCCBr SY001898 [0,0,0,0,0,0|3,0,0]=3 24 B4R0.2 OCCCF SY033053 [0,0,0,0,0,0|3,0,0]=3 25 B4R0.2 OCCCI SY016401 [0,0,0,0,0,0|3,0,0]=3 26 B3R0.1 CCON SY009566 [1,0,0,0,0,0|1,1,0]=3 27 B3R0.1 CNOC SY001763 [1,0,0,0,0,0|1,1,0]=3 28 B3R0.1 COCBr SY029084 [1,0,0,0,0,0|1,1,0]=3 29 B3R0.1 C[Se][Se]C SY048201 [1,0,0,0,0,0|1,1,0]=3 30 B3R0.1 FCCI SY024380 [1,0,0,0,0,0|2,0,0]=3 31 B3R0.1 ICCI SY045649 [1,0,0,0,0,0|2,0,0]=3 32 B3R0.1 NCCF SY009337 [1,0,0,0,0,0|2,0,0]=3 33 B3R0.1 NCCI SY155633 [1,0,0,0,0,0|2,0,0]=3 34 B5R0.1 CC#CC(C)=O SY262884 [0,1,0,0,0,0|1,0,2]=4 35 B5R0.1 CC(=O)CCN SY263173 [0,1,0,0,0,0|2,0,1]=4 36 B5R0.1 CC(=O)CCO SY002849 [0,1,0,0,0,0|2,0,1]=4 37 B5R0.1 CC(=O)NCO SY047960 [0,1,0,0,0,0|2,0,1]=4 38 B5R0.1 CC(=O)OCBr SY051438 [0,1,0,0,0,0|1,1,1]=4 39 B5R0.1 CC(C)CON SY013358 [0,1,0,0,0,0|3,0,0]=4 40 B5R0.1 CC(C)N=[N+]=[N-] SY197245 [0,1,0,0,0,0|3,0,0]=4 41 B5R0.1 CC(I)=CCI SY237855 [0,1,0,0,0,0|2,0,1]=4 42 B5R0.1 CC(N)CCF SY299085 [0,1,0,0,0,0|2,0,0]=3 43 B5R0.1 CC(N)CCO SY030187 [0,1,0,0,0,0|2,0,0]=3 44 B5R0.1 CC(O)CCBr SY216789 [0,1,0,0,0,0|2,0,0]=3 45 B5R0.1 CCCB(O)O SY030878 [0,1,0,0,0,0|3,0,0]=4 46 B5R0.1 CCC[C@@H](C)O SY045083 [0,1,0,0,0,0|1,0,0]=2 47 B5R0.1 CCNC(C)=O SY016499 [0,1,0,0,0,0|1,0,1]=3 48 B5R0.1 CN(C)CCBr SY004492 [0,1,0,0,0,0|3,0,0]=4 49 B5R0.1 CN(C)CCI SY219257 [0,1,0,0,0,0|3,0,0]=4 50 B5R0.1 CN(C)CCI SY247759 [0,1,0,0,0,0|3,0,0]=4 51 B5R0.1 CN(C)CCI SY247769 [0,1,0,0,0,0|3,0,0]=4 52 B5R0.1 CNCC(C)O SY083968 [0,1,0,0,0,0|2,0,0]=3 53 B5R0.1 CNCC(F)F SY181997 [0,1,0,0,0,0|3,0,0]=4 54 B5R0.1 CNC[C@H](C)O SY131109 [0,1,0,0,0,0|2,0,0]=3 55 B5R0.1 COCC(C)Br SY074290 [0,1,0,0,0,0|2,0,0]=3 56 B5R0.1 COC[C@@H](C)N SY034826 [0,1,0,0,0,0|2,0,0]=3 57 B5R0.1 COC[C@@H](C)N SY056838 [0,1,0,0,0,0|2,0,0]=3 58 B5R0.1 CSCS(C)=O SY049552 [0,1,0,0,0,0|3,0,0]=4 59 B5R0.1 C[C@@H](O)CCO SY049450 [0,1,0,0,0,0|2,0,0]=3 60 B5R0.1 C[C@H](N)CC#N SY121969 [0,1,0,0,0,0|2,0,1]=4 61 B5R0.1 C[C@H](N)CC#N SY294704 [0,1,0,0,0,0|2,0,1]=4 62 B5R0.1 C[C@H](N)CCO SY022986 [0,1,0,0,0,0|2,0,0]=3 63 B5R0.1 C\C(I)=C/CI SY237856 [0,1,0,0,0,0|2,0,1]=4 64 B5R0.1 C\C(I)=C\CI SY237854 [0,1,0,0,0,0|2,0,1]=4 65 B5R0.1 C\C(I)=C\CO SY246995 [0,1,0,0,0,0|2,0,1]=4 66 B5R0.1 C\C(I)=C\CO SY252919 [0,1,0,0,0,0|2,0,1]=4 67 B5R0.2 BrC\C=C/CBr SY294426 [0,1,0,0,0,0|2,0,1]=4 68 B5R0.2 C#CCCCO SY007472 [0,1,0,0,0,0|1,0,2]=4 69 B5R0.2 C#CCCOC SY261977 [0,1,0,0,0,0|1,0,2]=4 70 B5R0.2 C=CCCCCl SY115227 [0,1,0,0,0,0|1,0,2]=4 71 B5R0.2 C=CCCCN SY039810 [0,1,0,0,0,0|1,0,2]=4 72 B5R0.2 CCC#CC=O SY301692 [0,1,0,0,0,0|1,0,2]=4 73 B5R0.2 CCC#CCBr SY045110 [0,1,0,0,0,0|1,0,1]=3 74 B5R0.2 CCC#CCO SY048461 [0,1,0,0,0,0|1,0,1]=3 75 B5R0.2 CCCCNN SY048097 [0,1,0,0,0,0|2,0,0]=3 76 B5R0.2 CCCCON SY013356 [0,1,0,0,0,0|2,0,0]=3 77 B5R0.2 CCCCON SY019069 [0,1,0,0,0,0|2,0,0]=3 78 B5R0.2 CNCCSC SY020435 [0,1,0,0,0,0|2,0,0]=3 79 B5R0.2 COCCNN SY048076 [0,1,0,0,0,0|3,0,0]=4 80 B5R0.2 ClCCCCI SY049669 [0,1,0,0,0,0|2,0,0]=3 81 B5R0.2 ICCCCI SY037746 [0,1,0,0,0,0|2,0,0]=3 82 B5R0.2 N#CCCCBr SY012834 [0,1,0,0,0,0|2,0,1]=4 83 B5R0.2 N#CCCCCl SY001790 [0,1,0,0,0,0|2,0,1]=4 84 B5R0.2 NCCCCBr SY113500 [0,1,0,0,0,0|2,0,0]=3 85 B5R0.2 NCCCCN SY004150 [0,1,0,0,0,0|2,0,0]=3 86 B5R0.2 NCCCCO SY001196 [0,1,0,0,0,0|2,0,0]=3 87 B5R0.2 NCCCON SY273643 [0,1,0,0,0,0|3,0,0]=4 88 B5R0.2 NC\C=C\CCl SY261867 [0,1,0,0,0,0|2,0,1]=4 89 B5R0.2 NOCCCO SY204344 [0,1,0,0,0,0|3,0,0]=4 90 B5R0.2 NOCCCO SY281570 [0,1,0,0,0,0|3,0,0]=4 91 B5R0.2 OC\C=C\CO SY036452 [0,1,0,0,0,0|2,0,1]=4 92 B5R0.2 [N-]=[N+]=NCCCl SY267103 [0,1,0,0,0,0|3,0,0]=4 93 B5R0.3 C=C(CI)CI SY280389 [0,1,0,0,0,0|3,0,0]=4 94 B5R0.3 C=C(CO)CO SY009429 [0,1,0,0,0,0|3,0,0]=4 95 B5R0.3 C=C(OC)OC SY274566 [0,1,0,0,0,0|3,0,0]=4 96 B5R0.3 CC(CBr)CBr SY038831 [0,1,0,0,0,0|3,0,0]=4 97 B5R0.3 CC(CI)CI SY248411 [0,1,0,0,0,0|3,0,0]=4 98 B5R0.3 CCC(Br)CC SY050135 [0,1,0,0,0,0|1,0,0]=2 99 B5R0.3 CC[C@@H](N)CO SY049464 [0,1,0,0,0,0|2,0,0]=3 100 B5R0.3 CC[C@H](N)CF SY045883 [0,1,0,0,0,0|2,0,0]=3 101 B5R0.3 CNC(=N)NC SY270827 [0,1,0,0,0,0|3,0,0]=4 102 B5R0.3 CNC(=O)CBr SY106596 [0,1,0,0,0,0|3,0,0]=4 103 B5R0.3 CNC(=O)CCl SY003250 [0,1,0,0,0,0|3,0,0]=4 104 B5R0.3 CNC(=O)CN SY024913 [0,1,0,0,0,0|3,0,0]=4 105 B5R0.3 CNC(=O)CN SY066423 [0,1,0,0,0,0|3,0,0]=4 106 B5R0.3 CNC(=O)NC SY004507 [0,1,0,0,0,0|3,0,0]=4 107 B5R0.3 CNC(C)CO SY082195 [0,1,0,0,0,0|3,0,0]=4 108 B5R0.3 COC(=O)CN SY001589 [0,1,0,0,0,0|3,0,0]=4 109 B5R0.3 COC(=O)CO SY003097 [0,1,0,0,0,0|3,0,0]=4 110 B5R0.3 COC(C)CBr SY298794 [0,1,0,0,0,0|3,0,0]=4 111 B5R0.3 CO[C@@H](C)CN SY114788 [0,1,0,0,0,0|3,0,0]=4 112 B5R0.3 FCC(I)CF SY249443 [0,1,0,0,0,0|3,0,0]=4 113 B5R0.3 NCC(Br)CBr SY006726 [0,1,0,0,0,0|3,0,0]=4 114 B5R0.3 NCC(F)CO SY260924 [0,1,0,0,0,0|3,0,0]=4 115 B5R0.3 NCC(O)CN SY013661 [0,1,0,0,0,0|3,0,0]=4 116 B5R0.3 NC[C@@H](O)CO SY008127 [0,1,0,0,0,0|3,0,0]=4 117 B5R0.3 NC[C@H](O)CBr SY294054 [0,1,0,0,0,0|3,0,0]=4 118 B5R0.3 NC[C@H](O)CCl SY060396 [0,1,0,0,0,0|3,0,0]=4 119 B5R0.3 O=C(CO)CO SY038299 [0,1,0,0,0,0|3,0,0]=4 120 B5R0.3 OC(CBr)CBr SY012889 [0,1,0,0,0,0|3,0,0]=4 121 B5R1.1 C1=CCNC1 SY012047 [0,0,0,1,0,0|1,0,2]=4 122 B5R1.2 BrC1CCC1 SY013810 [0,0,0,1,0,0|2,0,0]=3 123 B5R1.2 BrC1CNC1 SY097761 [0,0,0,1,0,0|3,0,0]=4 124 B5R1.2 CC1CCN1 SY099118 [0,0,0,1,0,0|1,0,0]=2 125 B5R1.2 CC1CNC1 SY056983 [0,0,0,1,0,0|2,0,0]=3 126 B5R1.2 C[C@@H]1CCN1 SY261901 [0,0,0,1,0,0|1,0,0]=2 127 B5R1.2 C[C@H]1CCN1 SY249704 [0,0,0,1,0,0|1,0,0]=2 128 B5R1.2 ClC1COC1 SY059296 [0,0,0,1,0,0|3,0,0]=4 129 B5R1.2 FC1CNC1 SY018074 [0,0,0,1,0,0|3,0,0]=4 130 B5R1.2 IC1CCC1 SY233989 [0,0,0,1,0,0|2,0,0]=3 131 B5R1.2 IC1COC1 SY009160 [0,0,0,1,0,0|3,0,0]=4 132 B5R1.2 NC1CCC1 SY013751 [0,0,0,1,0,0|2,0,0]=3 133 B5R1.2 NC1CNC1 SY033623 [0,0,0,1,0,0|3,0,0]=4 134 B5R1.2 NC1COC1 SY009105 [0,0,0,1,0,0|3,0,0]=4 135 B5R1.2 NC1CSC1 SY097616 [0,0,0,1,0,0|3,0,0]=4 136 B5R1.2 OC1CNC1 SY002482 [0,0,0,1,0,0|3,0,0]=4 137 B5R1.2 OC1COC1 SY002910 [0,0,0,1,0,0|3,0,0]=4 138 B5R1.2 OC1CSC1 SY099721 [0,0,0,1,0,0|3,0,0]=4 139 B5R1.3 ICC1CC1 SY266775 [0,0,0,1,0,0|2,0,0]=3 140 B5R1.3 NNC1CC1 SY024161 [0,0,0,1,0,0|3,0,0]=4 141 B5R1.3 OC[C@@H]1CO1 SY013955 [0,0,0,1,0,0|3,0,0]=4 142 B5R1.3 OC[C@H]1CO1 SY031944 [0,0,0,1,0,0|3,0,0]=4 143 B5R1.4 C[C@@H]1O[C@H]1C SY224137 [0,0,0,1,0,0|0,1,0]=2 144 B5R1.4 NC1CC1F SY265040 [0,0,0,1,0,0|3,0,0]=4 145 B5R1.4 NC1CC1N SY249366 [0,0,0,1,0,0|3,0,0]=4 146 B5R1.4 N[C@@H]1C[C@H]1F SY259032 [0,0,0,1,0,0|3,0,0]=4 147 B5R1.4 N[C@@H]1C[C@H]1N SY253855 [0,0,0,1,0,0|3,0,0]=4 148 B5R1.4 N[C@H]1C[C@H]1F SY265042 [0,0,0,1,0,0|3,0,0]=4 149 B5R1.4 N[C@H]1C[C@H]1N SY249367 [0,0,0,1,0,0|3,0,0]=4 150 B2R0.1 CC#N SY009905 [2,0,0,0,0,0|1,0,1]=4 151 B2R0.1 CNN SY114943 [2,0,0,0,0,0|2,0,0]=4 152 B2R0.1 CNO SY013476 [2,0,0,0,0,0|1,1,0]=4 153 B2R0.1 FCI SY274057 [2,0,0,0,0,0|2,0,0]=4 154 B2R0.1 NCN SY106478 [2,0,0,0,0,0|2,0,0]=4 155 B4R0.1 C#CC(C)N SY022798 [1,1,0,0,0,0|0,0,2]=4 156 B4R0.1 C=C(C)CN SY018445 [1,1,0,0,0,0|1,0,1]=4 157 B4R0.1 C=C[C@H](C)N SY245785 [1,1,0,0,0,0|0,0,2]=4 158 B4R0.1 CC(=O)CN SY018511 [1,1,0,0,0,0|1,0,1]=4 159 B4R0.1 CC(C)NN SY008422 [1,1,0,0,0,0|2,0,0]=4 160 B4R0.1 CC(C)NO SY059927 [1,1,0,0,0,0|2,0,0]=4 161 B4R0.1 CC(C)ON SY019006 [1,1,0,0,0,0|1,1,0]=4 162 B4R0.1 CC(N)CBr SY268996 [1,1,0,0,0,0|1,0,0]=3 163 B4R0.1 CC(N)CF SY045872 [1,1,0,0,0,0|1,0,0]=3 164 B4R0.1 CC(S)CO SY195125 [1,1,0,0,0,0|1,0,0]=3 165 B4R0.1 CCB(O)O SY004385 [1,1,0,0,0,0|2,0,0]=4 166 B4R0.1 CCC(=N)N SY018521 [1,1,0,0,0,0|1,0,1]=4 167 B4R0.1 CCC(N)=O SY048276 [1,1,0,0,0,0|1,0,1]=4 168 B4R0.1 CCS(=O)[O-] SY005659 [1,1,0,0,0,0|1,0,1]=4 169 B4R0.1 CC[C@H](C)N SY059203 [1,1,0,0,0,0|0,0,0]=2 170 B4R0.1 CSC(=N)N SY001378 [1,1,0,0,0,0|1,0,1]=4 171 B4R0.1 C[C@@H](Cl)CO SY240135 [1,1,0,0,0,0|1,0,0]=3 172 B4R0.1 C[C@@H](N)CF SY044783 [1,1,0,0,0,0|1,0,0]=3 173 B4R0.1 C[C@@H](O)CN SY002691 [1,1,0,0,0,0|1,0,0]=3 174 B4R0.1 C[C@@H](O)CO SY003769 [1,1,0,0,0,0|1,0,0]=3 175 B4R0.1 C[C@H](N)CF SY044781 [1,1,0,0,0,0|1,0,0]=3 176 B4R0.1 C[C@H](O)CO SY003770 [1,1,0,0,0,0|1,0,0]=3 177 B4R0.1 FC(F)CI SY027169 [1,1,0,0,0,0|2,0,0]=4 178 B4R0.1 NCC(F)F SY013766 [1,1,0,0,0,0|2,0,0]=4 179 B6R0.1 C=CC(O)CCC SY048915 [0,2,0,0,0,0|1,0,1]=4 180 B6R0.1 CCC(=O)CC#N SY004535 [0,2,0,0,0,0|1,0,1]=4 181 B6R0.1 CCC(=O)COC SY190908 [0,2,0,0,0,0|1,0,0]=3 182 B6R0.1 CCCC(C)CN SY271841 [0,2,0,0,0,0|1,0,0]=3 183 B6R0.1 CCCC(O)CO SY032914 [0,2,0,0,0,0|1,0,0]=3 184 B6R0.1 CCC[C@@H](N)CF SY045881 [0,2,0,0,0,0|1,0,0]=3 185 B6R0.1 CCC[C@@H](N)CO SY038521 [0,2,0,0,0,0|1,0,0]=3 186 B6R0.1 CCC[C@H](N)CF SY045882 [0,2,0,0,0,0|1,0,0]=3 187 B6R0.1 CCC[C@H](N)CO SY017944 [0,2,0,0,0,0|1,0,0]=3 188 B6R0.1 CCNC(=O)CCl SY024489 [0,2,0,0,0,0|1,0,1]=4 189 B6R0.1 CCOC(=N)CCl SY026914 [0,2,0,0,0,0|0,1,1]=4 190 B6R0.1 CCOC(=O)CN SY002226 [0,2,0,0,0,0|0,1,1]=4 191 B6R0.1 CCOC(=O)CO SY002762 [0,2,0,0,0,0|0,1,1]=4 192 B6R0.1 CCOC(=S)SC SY261921 [0,2,0,0,0,0|0,1,1]=4 193 B6R0.1 CNC(=O)CCO SY083761 [0,2,0,0,0,0|2,0,0]=4 194 B6R0.1 CNC[C@@H](O)CO SY294795 [0,2,0,0,0,0|2,0,0]=4 195 B6R0.1 COC(=O)CCBr SY002337 [0,2,0,0,0,0|2,0,0]=4 196 B6R0.1 COC(=O)CCN SY004831 [0,2,0,0,0,0|2,0,0]=4 197 B6R0.1 COC(=O)CCO SY008913 [0,2,0,0,0,0|2,0,0]=4 198 B6R0.1 COC[C@@H](O)CN SY236677 [0,2,0,0,0,0|2,0,0]=4 199 B6R0.1 COC[C@H](O)CN SY199877 [0,2,0,0,0,0|2,0,0]=4 200 B6R0.1 NCCC(O)CO SY260308 [0,2,0,0,0,0|2,0,0]=4 201 B6R0.1 OCCC(O)CO SY003295 [0,2,0,0,0,0|2,0,0]=4 202 B6R0.1 OCC[C@H](O)CO SY274042 [0,2,0,0,0,0|2,0,0]=4 203 B6R0.1 O[C@@H](CBr)CCBr SY301486 [0,2,0,0,0,0|2,0,0]=4 204 B6R0.2 CC(=O)NC(C)C SY107538 [0,2,0,0,0,0|1,0,1]=4 205 B6R0.2 CC(=O)OC(C)Br SY067153 [0,2,0,0,0,0|0,1,1]=4 206 B6R0.2 CC(C)NC(C)C SY110478 [0,2,0,0,0,0|1,0,0]=3 207 B6R0.2 CC(C)NC(C)C SY235485 [0,2,0,0,0,0|1,0,0]=3 208 B6R0.2 CC(C)[NH2+]C(C)C SY037975 [0,2,0,0,0,0|1,0,0]=3 209 B6R0.2 C[C@H](O)C[C@H](C)O SY066746 [0,2,0,0,0,0|1,0,0]=3 210 B6R0.3 CC(C)C(=O)CN SY186390 [0,2,0,0,0,0|2,0,0]=4 211 B6R0.3 CC(C)C(N)CF SY045876 [0,2,0,0,0,0|2,0,0]=4 212 B6R0.3 CC(C)C(N)CO SY006455 [0,2,0,0,0,0|2,0,0]=4 213 B6R0.3 CC(C)[C@@H](N)CF SY045875 [0,2,0,0,0,0|2,0,0]=4 214 B6R0.3 CC(C)[C@@H](N)CO SY006320 [0,2,0,0,0,0|2,0,0]=4 215 B6R0.3 CC(C)[C@H](N)CF SY045871 [0,2,0,0,0,0|2,0,0]=4 216 B6R0.3 CC(C)[C@H](N)CO SY003828 [0,2,0,0,0,0|2,0,0]=4 217 B6R0.3 CCC(=O)N(C)C SY036870 [0,2,0,0,0,0|2,0,0]=4 218 B6R0.3 COC(=N)C(C)C SY274570 [0,2,0,0,0,0|2,0,0]=4 219 B6R0.3 COC(=O)C(C)N SY008132 [0,2,0,0,0,0|2,0,0]=4 220 B6R0.3 COC(=O)[C@@H](C)N SY008138 [0,2,0,0,0,0|2,0,0]=4 221 B6R0.3 COC(=O)[C@H](C)N SY005420 [0,2,0,0,0,0|2,0,0]=4 222 B6R0.3 C[C@@H](O)[C@H](N)CO SY009561 [0,2,0,0,0,0|2,0,0]=4 223 B6R0.3 C[C@H](O)[C@@H](N)CO SY034144 [0,2,0,0,0,0|2,0,0]=4 224 B6R0.4 C=CCC[C@H](C)O SY307699 [0,2,0,0,0,0|1,0,1]=4 225 B6R0.4 CC(=O)CCCO SY002852 [0,2,0,0,0,0|1,0,1]=4 226 B6R0.4 CC(=O)NCCN SY313725 [0,2,0,0,0,0|1,0,1]=4 227 B6R0.4 CC(C)CCCO SY016761 [0,2,0,0,0,0|1,0,0]=3 228 B6R0.4 CC(C)CCNN SY048082 [0,2,0,0,0,0|2,0,0]=4 229 B6R0.4 CC(C)CCON SY045359 [0,2,0,0,0,0|2,0,0]=4 230 B6R0.4 CC(C)CCON SY281670 [0,2,0,0,0,0|2,0,0]=4 231 B6R0.4 CC(C)NCCCl SY028925 [0,2,0,0,0,0|1,0,0]=3 232 B6R0.4 CC(C)OCC=O SY269035 [0,2,0,0,0,0|0,1,1]=4 233 B6R0.4 CC(C)OCCBr SY031858 [0,2,0,0,0,0|0,1,0]=3 234 B6R0.4 CC(Cl)CCCO SY207412 [0,2,0,0,0,0|1,0,0]=3 235 B6R0.4 CC(O)CCCO SY239899 [0,2,0,0,0,0|1,0,0]=3 236 B6R0.4 CCCCB(O)O SY012742 [0,2,0,0,0,0|2,0,0]=4 237 B6R0.4 CCCCC(=N)N SY020380 [0,2,0,0,0,0|1,0,1]=4 238 B6R0.4 CCCCC(=N)N SY020382 [0,2,0,0,0,0|1,0,1]=4 239 B6R0.4 CN(C)CCCBr SY016763 [0,2,0,0,0,0|2,0,0]=4 240 B6R0.4 CN(C)CCCCl SY006370 [0,2,0,0,0,0|2,0,0]=4 241 B6R0.4 CN(C)CCCCl SY021395 [0,2,0,0,0,0|2,0,0]=4 242 B6R0.4 CN(C)CCCI SY247760 [0,2,0,0,0,0|2,0,0]=4 243 B6R0.4 CN(C)CCCI SY247768 [0,2,0,0,0,0|2,0,0]=4 244 B6R0.5 CC(C)(C)CCBr SY031960 [0,2,0,0,0,0|2,0,0]=4 245 B6R0.5 CC(C)(C)CCN SY123555 [0,2,0,0,0,0|2,0,0]=4 246 B6R0.5 CC(C)(I)CCO SY248398 [0,2,0,0,0,0|2,0,0]=4 247 B6R0.5 CC(C)(N)CCO SY025601 [0,2,0,0,0,0|2,0,0]=4 248 B6R0.5 CC(C)(N)CCO SY029973 [0,2,0,0,0,0|2,0,0]=4 249 B6R0.5 CC(C)(O)CCBr SY043014 [0,2,0,0,0,0|2,0,0]=4 250 B6R0.5 CNCC(C)(C)O SY123563 [0,2,0,0,0,0|2,0,0]=4 251 B6R0.5 COCC(C)(C)N SY023626 [0,2,0,0,0,0|2,0,0]=4 252 B6R0.5 COCC(C)(C)N SY026408 [0,2,0,0,0,0|2,0,0]=4 253 B6R0.5 COCC(C)(C)O SY285974 [0,2,0,0,0,0|2,0,0]=4 254 B6R0.5 CSCC(C)(C)N SY196988 [0,2,0,0,0,0|2,0,0]=4 255 B6R0.6 BrCCCCCBr SY004544 [0,2,0,0,0,0|1,0,0]=3 256 B6R0.6 BrCCNCCBr SY018108 [0,2,0,0,0,0|1,0,0]=3 257 B6R0.6 C#CCCCCI SY047667 [0,2,0,0,0,0|1,0,1]=4 258 B6R0.6 C#CCCCCN SY069749 [0,2,0,0,0,0|1,0,1]=4 259 B6R0.6 C#CCCCCO SY020332 [0,2,0,0,0,0|1,0,1]=4 260 B6R0.6 C=CCCCCO SY020861 [0,2,0,0,0,0|1,0,1]=4 261 B6R0.6 CCCCCNN SY048085 [0,2,0,0,0,0|1,0,0]=3 262 B6R0.6 CCCCCON SY281671 [0,2,0,0,0,0|1,0,0]=3 263 B6R0.6 CCCCCON SY281672 [0,2,0,0,0,0|1,0,0]=3 264 B6R0.6 CCCCOCCl SY264650 [0,2,0,0,0,0|1,0,0]=3 265 B6R0.6 CCNCCCO SY023800 [0,2,0,0,0,0|1,0,0]=3 266 B6R0.6 CCOCCNN SY048091 [0,2,0,0,0,0|0,1,0]=3 267 B6R0.6 CNCCCCO SY117259 [0,2,0,0,0,0|1,0,0]=3 268 B6R0.6 COCCCCCl SY015495 [0,2,0,0,0,0|1,0,0]=3 269 B6R0.6 COCCCNN SY048087 [0,2,0,0,0,0|2,0,0]=4 270 B6R0.6 COCCCON SY201326 [0,2,0,0,0,0|2,0,0]=4 271 B6R0.6 COCCCON SY281583 [0,2,0,0,0,0|2,0,0]=4 272 B6R0.6 COCOCCN SY250694 [0,2,0,0,0,0|0,1,0]=3 273 B6R0.6 C\C=C\CCCO SY066633 [0,2,0,0,0,0|1,0,1]=4 274 B6R0.6 ClCCCCCBr SY048983 [0,2,0,0,0,0|1,0,0]=3 275 B6R0.6 ICCCCCI SY048751 [0,2,0,0,0,0|1,0,0]=3 276 B6R0.6 N#CCCCCCl SY004990 [0,2,0,0,0,0|1,0,1]=4 277 B6R0.6 N#CCCCCN SY040472 [0,2,0,0,0,0|1,0,1]=4 278 B6R0.6 NCCCCCO SY049614 [0,2,0,0,0,0|1,0,0]=3 279 B6R0.6 NCCOCCBr SY261989 [0,2,0,0,0,0|0,1,0]=3 280 B6R0.6 NCCOCCN SY052726 [0,2,0,0,0,0|0,1,0]=3 281 B6R0.6 O=CCCCCCl SY024458 [0,2,0,0,0,0|1,0,1]=4 282 B6R0.6 O=CCCCCO SY047027 [0,2,0,0,0,0|1,0,1]=4 283 B6R0.6 OCCCCCCl SY050042 [0,2,0,0,0,0|1,0,0]=3 284 B6R0.6 OCCOCCBr SY145932 [0,2,0,0,0,0|0,1,0]=3 285 B6R0.9 CCC(C#N)CC SY059782 [0,2,0,0,0,0|1,0,0]=3 286 B6R0.9 CCC(CC)NC SY023477 [0,2,0,0,0,0|1,0,0]=3 287 B6R0.9 CCN(CC)N=O SY053647 [0,2,0,0,0,0|1,0,0]=3 288 B6R0.9 C\C=C(\C=O)CC SY265075 [0,2,0,0,0,0|1,0,1]=4 289 B4R1.2 IC1CC1 SY046875 [1,0,0,1,0,0|1,0,0]=3 290 B4R1.2 O=C1CC1 SY037762 [1,0,0,1,0,0|1,0,1]=4 291 B4R1.2 OC1CC1 SY028267 [1,0,0,1,0,0|1,0,0]=3 292 B6R1.2 C=C1CCNC1 SY038558 [0,1,0,1,0,0|1,0,1]=4 293 B6R1.2 CC1=NCCC1 SY015490 [0,1,0,1,0,0|1,0,1]=4 294 B6R1.2 CC1CCCN1 SY042657 [0,1,0,1,0,0|1,0,0]=3 295 B6R1.2 CN1CCNC1 SY251230 [0,1,0,1,0,0|1,0,0]=3 296 B6R1.2 C[C@@H]1CCCN1 SY019809 [0,1,0,1,0,0|1,0,0]=3 297 B6R1.2 C[C@@H]1CCNC1 SY097390 [0,1,0,1,0,0|1,0,0]=3 298 B6R1.2 C[C@H]1CCCN1 SY019821 [0,1,0,1,0,0|1,0,0]=3 299 B6R1.2 C[C@H]1CCNC1 SY097402 [0,1,0,1,0,0|1,0,0]=3 300 B6R1.2 C[S+]1CCCC1 SY251130 [0,1,0,1,0,0|0,0,1]=3 301 B6R1.2 ClC1CCOC1 SY185690 [0,1,0,1,0,0|0,1,0]=3 302 B6R1.2 Cl[C@@H]1CCNC1 SY281534 [0,1,0,1,0,0|1,0,0]=3 303 B6R1.2 FC1CCNC1 SY032538 [0,1,0,1,0,0|1,0,0]=3 304 B6R1.2 F[C@@H]1CCNC1 SY008511 [0,1,0,1,0,0|1,0,0]=3 305 B6R1.2 F[C@H]1CCNC1 SY008512 [0,1,0,1,0,0|1,0,0]=3 306 B6R1.2 IC1CCCC1 SY019127 [0,1,0,1,0,0|1,0,0]=3 307 B6R1.2 IC1CCOC1 SY042009 [0,1,0,1,0,0|0,1,0]=3 308 B6R1.2 NC1=NCCC1 SY030217 [0,1,0,1,0,0|1,0,1]=4 309 B6R1.2 NC1CC=CC1 SY019807 [0,1,0,1,0,0|1,0,1]=4 310 B6R1.2 NC1CCNC1 SY005919 [0,1,0,1,0,0|1,0,0]=3 311 B6R1.2 NC1CCOC1 SY003277 [0,1,0,1,0,0|0,1,0]=3 312 B6R1.2 NC1CCOC1 SY042059 [0,1,0,1,0,0|0,1,0]=3 313 B6R1.2 N[C@@H]1CCOC1 SY020665 [0,1,0,1,0,0|0,1,0]=3 314 B6R1.2 N[C@@H]1CCOC1 SY024464 [0,1,0,1,0,0|0,1,0]=3 315 B6R1.2 N[C@H]1CCNC1 SY057131 [0,1,0,1,0,0|1,0,0]=3 316 B6R1.2 N[C@H]1CCOC1 SY020664 [0,1,0,1,0,0|0,1,0]=3 317 B6R1.2 N[C@H]1CCOC1 SY024406 [0,1,0,1,0,0|0,1,0]=3 318 B6R1.2 O=C1CCNC1 SY019727 [0,1,0,1,0,0|1,0,1]=4 319 B6R1.2 O=C1CCOC1 SY003100 [0,1,0,1,0,0|0,1,1]=4 320 B6R1.2 O=C1NCCS1 SY037960 [0,1,0,1,0,0|1,0,1]=4 321 B6R1.2 OC1CC=CC1 SY007884 [0,1,0,1,0,0|1,0,1]=4 322 B6R1.2 OC1CCCO1 SY016132 [0,1,0,1,0,0|0,1,0]=3 323 B6R1.2 OC1CCNC1 SY001203 [0,1,0,1,0,0|1,0,0]=3 324 B6R1.2 OC1CCNC1 SY003143 [0,1,0,1,0,0|1,0,0]=3 325 B6R1.2 OC1CCOC1 SY003288 [0,1,0,1,0,0|0,1,0]=3 326 B6R1.2 OC1CCSC1 SY185762 [0,1,0,1,0,0|0,0,0]=2 327 B6R1.2 O[C@@H]1CCNC1 SY003191 [0,1,0,1,0,0|1,0,0]=3 328 B6R1.2 O[C@@H]1CCNC1 SY018523 [0,1,0,1,0,0|1,0,0]=3 329 B6R1.2 O[C@@H]1CCOC1 SY016904 [0,1,0,1,0,0|0,1,0]=3 330 B6R1.2 O[C@@H]1CNOC1 SY021787 [0,1,0,1,0,0|1,1,0]=4 331 B6R1.2 O[C@H]1CCNC1 SY003190 [0,1,0,1,0,0|1,0,0]=3 332 B6R1.2 O[C@H]1CCNC1 SY007382 [0,1,0,1,0,0|1,0,0]=3 333 B6R1.2 O[C@H]1CCOC1 SY003096 [0,1,0,1,0,0|0,1,0]=3 334 B6R1.2 O[C@H]1CNOC1 SY021785 [0,1,0,1,0,0|1,1,0]=4 335 B6R1.3 BrCCC1CC1 SY023093 [0,1,0,1,0,0|1,0,0]=3 336 B6R1.3 BrCCC1CO1 SY021183 [0,1,0,1,0,0|2,0,0]=4 337 B6R1.3 CCNC1CC1 SY027577 [0,1,0,1,0,0|1,0,0]=3 338 B6R1.3 CCNC1CC1 SY027695 [0,1,0,1,0,0|1,0,0]=3 339 B6R1.3 CNCC1CC1 SY029533 [0,1,0,1,0,0|1,0,0]=3 340 B6R1.3 CNCC1CC1 SY029534 [0,1,0,1,0,0|1,0,0]=3 341 B6R1.3 N#CCC1CC1 SY058947 [0,1,0,1,0,0|1,0,1]=4 342 B6R1.3 NCCC1CC1 SY042128 [0,1,0,1,0,0|1,0,0]=3 343 B6R1.3 NNCC1CC1 SY013383 [0,1,0,1,0,0|2,0,0]=4 344 B6R1.3 NNCC1CC1 SY042147 [0,1,0,1,0,0|2,0,0]=4 345 B6R1.3 NOCC1CC1 SY101356 [0,1,0,1,0,0|2,0,0]=4 346 B6R1.3 OCCC1CC1 SY041938 [0,1,0,1,0,0|1,0,0]=3 347 B6R1.5 CC1CC(O)C1 SY203262 [0,1,0,1,0,0|1,0,0]=3 348 B6R1.5 CN1CC(N)C1 SY022763 [0,1,0,1,0,0|2,0,0]=4 349 B6R1.5 CN1CC(O)C1 SY017235 [0,1,0,1,0,0|2,0,0]=4 350 B6R1.5 CN1CC(O)C1 SY029236 [0,1,0,1,0,0|2,0,0]=4 351 B6R1.5 C[C@H]1C[C@H](C)N1 SY310795 [0,1,0,1,0,0|1,0,0]=3 352 B6R1.5 NC1CC(F)C1 SY097608 [0,1,0,1,0,0|2,0,0]=4 353 B6R1.5 NC1CC(O)C1 SY016148 [0,1,0,1,0,0|2,0,0]=4 354 B6R1.5 NC1CC(O)C1 SY025077 [0,1,0,1,0,0|2,0,0]=4 355 B6R1.5 N[C@H]1C[C@@H](O)C1 SY035914 [0,1,0,1,0,0|2,0,0]=4 356 B6R1.5 N[C@H]1C[C@@H](O)C1 SY039961 [0,1,0,1,0,0|2,0,0]=4 357 B6R1.5 N[C@H]1C[C@H](F)C1 SY099957 [0,1,0,1,0,0|2,0,0]=4 358 B6R1.5 N[C@H]1C[C@H](O)C1 SY035915 [0,1,0,1,0,0|2,0,0]=4 359 B6R1.5 OC1CC(O)C1 SY233801 [0,1,0,1,0,0|2,0,0]=4 360 B6R1.10 CC1(C)CCN1 SY310792 [0,1,0,1,0,0|1,0,0]=3 361 B6R1.10 CC1(C)CNC1 SY026161 [0,1,0,1,0,0|2,0,0]=4 362 B6R1.10 CC1(F)CNC1 SY042333 [0,1,0,1,0,0|2,0,0]=4 363 B6R1.10 CC1(N)CCC1 SY025586 [0,1,0,1,0,0|1,0,0]=3 364 B6R1.10 CC1(N)COC1 SY051262 [0,1,0,1,0,0|2,0,0]=4 365 B6R1.10 CC1(N)COC1 SY097567 [0,1,0,1,0,0|2,0,0]=4 366 B6R1.10 CC1(O)CCC1 SY196215 [0,1,0,1,0,0|1,0,0]=3 367 B6R1.10 CC1(O)CNC1 SY035860 [0,1,0,1,0,0|2,0,0]=4 368 B6R1.10 CC1(O)CNC1 SY111204 [0,1,0,1,0,0|2,0,0]=4 369 B6R1.10 CC1(O)COC1 SY097550 [0,1,0,1,0,0|2,0,0]=4 370 B6R1.11 CC(N)C1CC1 SY023598 [0,1,0,1,0,0|1,0,0]=3 371 B6R1.11 C[C@@H](N)C1CC1 SY111958 [0,1,0,1,0,0|1,0,0]=3 372 B6R1.11 C[C@H](N)C1CC1 SY099127 [0,1,0,1,0,0|1,0,0]=3 373 B6R1.1 C1=CCNCC1 SY020557 [0,1,0,1,0,0|1,0,1]=4 374 B6R1.1 C1CCNNC1 SY028291 [0,1,0,1,0,0|1,0,0]=3 375 B6R1.1 C1CCONC1 SY105413 [0,1,0,1,0,0|0,1,0]=3 376 B6R1.1 C1COCCN1 SY059143 [0,1,0,1,0,0|0,1,0]=3 377 B6R1.1 C1CSCCN1 SY033134 [0,1,0,1,0,0|0,0,0]=2 378 B6R1.1 C1CSCSC1 SY014110 [0,1,0,1,0,0|0,0,0]=2 379 B6R1.4 CC1CCC1O SY161762 [0,1,0,1,0,0|1,0,0]=3 380 B6R1.4 C[C@@H]1NC[C@@H]1F SY310794 [0,1,0,1,0,0|1,0,0]=3 381 B6R1.4 C[C@@H]1NC[C@H]1F SY310804 [0,1,0,1,0,0|1,0,0]=3 382 B6R1.4 C[C@@H]1NC[C@H]1O SY310807 [0,1,0,1,0,0|1,0,0]=3 383 B6R1.4 O=C1CCC1Br SY234041 [0,1,0,1,0,0|2,0,0]=4 384 B6R1.4 OC1CCC1O SY301012 [0,1,0,1,0,0|2,0,0]=4 385 B6R1.6 BrCC1CNC1 SY267476 [0,1,0,1,0,0|2,0,0]=4 386 B6R1.6 BrCC1COC1 SY059797 [0,1,0,1,0,0|2,0,0]=4 387 B6R1.6 C#CC1CCO1 SY284813 [0,1,0,1,0,0|0,1,1]=4 388 B6R1.6 CNC1COC1 SY047195 [0,1,0,1,0,0|2,0,0]=4 389 B6R1.6 COC1CNC1 SY021482 [0,1,0,1,0,0|2,0,0]=4 390 B6R1.6 FCC1CNC1 SY127600 [0,1,0,1,0,0|2,0,0]=4 391 B6R1.6 ICC1CCC1 SY073415 [0,1,0,1,0,0|1,0,0]=3 392 B6R1.6 NCC1CCC1 SY035875 [0,1,0,1,0,0|1,0,0]=3 393 B6R1.6 NCC1CCO1 SY035857 [0,1,0,1,0,0|0,1,0]=3 394 B6R1.6 NCC1COC1 SY025447 [0,1,0,1,0,0|2,0,0]=4 395 B6R1.6 NCC1COC1 SY098725 [0,1,0,1,0,0|2,0,0]=4 396 B6R1.6 NC[C@@H]1CCO1 SY250609 [0,1,0,1,0,0|0,1,0]=3 397 B6R1.6 NC[C@H]1CCO1 SY262606 [0,1,0,1,0,0|0,1,0]=3 398 B6R1.6 O=CC1CCC1 SY019700 [0,1,0,1,0,0|1,0,1]=4 399 B6R1.6 OCC1CCO1 SY042053 [0,1,0,1,0,0|0,1,0]=3 400 B6R1.6 OCC1CNC1 SY024106 [0,1,0,1,0,0|2,0,0]=4 401 B6R1.6 OCC1COC1 SY009472 [0,1,0,1,0,0|2,0,0]=4 402 B6R1.6 OC[C@@H]1CCO1 SY270417 [0,1,0,1,0,0|0,1,0]=3 403 B6R1.7 CC1(CN)CC1 SY029652 [0,1,0,1,0,0|2,0,0]=4 404 B6R1.7 CC1(CO)CC1 SY029659 [0,1,0,1,0,0|2,0,0]=4 405 B6R1.7 NC1(CF)CC1 SY040347 [0,1,0,1,0,0|2,0,0]=4 406 B6R1.7 NC1(CO)CC1 SY017513 [0,1,0,1,0,0|2,0,0]=4 407 B6R1.7 NC1(CO)CC1 SY047102 [0,1,0,1,0,0|2,0,0]=4 408 B6R1.7 NCC1(O)CC1 SY040047 [0,1,0,1,0,0|2,0,0]=4 409 B6R1.7 NCC1(O)CC1 SY102292 [0,1,0,1,0,0|2,0,0]=4 410 B6R1.7 OCC1(F)CC1 SY123971 [0,1,0,1,0,0|2,0,0]=4 411 B6R1.7 OCC1(O)CC1 SY123956 [0,1,0,1,0,0|2,0,0]=4