0 B5R0.1 C#CCC(=O)O SBB116169 [0,0,0,0,0,0|1,0,1]=2 1 B5R0.1 CC(=O)CC#N SBB014113 [0,0,0,0,0,0|2,0,1]=3 2 B5R0.1 CC(=O)N=S=O SBB059583 [0,0,0,0,0,0|3,1,0]=4 3 B5R0.1 CC(C)=CCBr SBB061690 [0,0,0,0,0,0|3,0,1]=4 4 B5R0.1 CC(C)CCBr SBB061181 [0,0,0,0,0,0|3,0,1]=4 5 B5R0.1 CC(C)CCO SBB060162 [0,0,0,0,0,0|2,1,1]=4 6 B5R0.1 CCCC(=O)Cl SBB040624 [0,0,0,0,0,0|2,0,0]=2 7 B5R0.1 CCOC(=O)Cl SBB040861 [0,0,0,0,0,0|3,0,0]=3 8 B5R0.1 CN(C)CCBr SBB073020 [0,0,0,0,0,0|4,0,0]=4 9 B5R0.1 CN(C)CCN SBB007533 [0,0,0,0,0,0|4,0,0]=4 10 B5R0.1 COCC(=O)O SBB061376 [0,0,0,0,0,0|2,0,0]=2 11 B5R0.1 CS(=O)CCN SBB050811 [0,0,0,0,0,0|3,0,0]=3 12 B5R0.1 CSCC(=O)O SBB053570 [0,0,0,0,0,0|2,0,0]=2 13 B5R0.1 C\C(Cl)=C\CN SBB301293 [0,0,0,0,0,0|3,0,1]=4 14 B5R0.1 N#CCC(N)=O SBB007540 [0,0,0,0,0,0|2,0,1]=3 15 B5R0.1 N#CCC(N)=S SBB015115 [0,0,0,0,0,0|2,1,1]=4 16 B5R0.1 O=C(O)CCBr SBB065770 [0,0,0,0,0,0|1,0,0]=1 17 B5R0.1 O=C(O)CCCl SBB069140 [0,0,0,0,0,0|1,0,0]=1 18 B5R0.1 [NH+](C)(C)CCCl SBB057087 [0,0,0,0,0,0|4,0,0]=4 19 B4R0.1 C=C(Br)CBr SBB061691 [1,0,0,0,0,0|3,0,0]=4 20 B4R0.1 CCC(C)Br SBB059931 [1,0,0,0,0,0|2,0,1]=4 21 B4R0.1 CCN(C)N SBB107453 [1,0,0,0,0,0|3,0,0]=4 22 B4R0.1 COC(=N)N SBB067236 [1,0,0,0,0,0|3,0,0]=4 23 B4R0.1 CSC(=N)N SBB080624 [1,0,0,0,0,0|3,0,0]=4 24 B4R0.1 CSC(=N)N SBB095512 [1,0,0,0,0,0|3,0,0]=4 25 B4R0.1 N=C(N)CCl SBB056491 [1,0,0,0,0,0|3,0,0]=4 26 B4R0.1 NCC(=O)O SBB071447 [1,0,0,0,0,0|1,0,0]=2 27 B4R0.1 NCC(=O)[O-] SBB116671 [1,0,0,0,0,0|1,0,1]=3 28 B4R0.1 O=C(Br)CBr SBB040828 [1,0,0,0,0,0|2,0,0]=3 29 B4R0.1 O=C(Cl)CBr SBB051682 [1,0,0,0,0,0|2,0,0]=3 30 B4R0.1 O=C(Cl)CCl SBB040859 [1,0,0,0,0,0|2,0,0]=3 31 B4R0.1 O=C(O)CBr SBB053569 [1,0,0,0,0,0|1,0,0]=2 32 B4R0.1 [NH2+]=C(N)SC SBB060409 [1,0,0,0,0,0|3,0,0]=4 33 B4R0.1 [NH3+]NC(N)=O SBB060865 [1,0,0,0,0,0|3,0,0]=4 34 B4R0.2 BrCCCBr SBB060203 [1,0,0,0,0,0|2,0,1]=4 35 B4R0.2 CCCCBr SBB059930 [1,0,0,0,0,0|2,0,1]=4 36 B4R0.2 CNCCI SBB071605 [1,0,0,0,0,0|3,0,0]=4 37 B4R0.2 COCCBr SBB007906 [1,0,0,0,0,0|3,0,0]=4 38 B4R0.2 C\C=C\CC SBB059879 [1,0,0,0,0,0|2,0,1]=4 39 B4R0.2 ClCCCBr SBB058669 [1,0,0,0,0,0|2,0,1]=4 40 B4R0.2 ClCCCCl SBB040918 [1,0,0,0,0,0|2,0,1]=4 41 B4R0.2 Cl\C=C/CCl SBB061393 [1,0,0,0,0,0|2,0,1]=4 42 B4R0.2 OCCCBr SBB054750 [1,0,0,0,0,0|1,0,1]=3 43 B6R0.1 C#CC(=O)OCC SBB060344 [0,1,0,0,0,0|3,0,0]=4 44 B6R0.1 C#CC(O)CCC SBB067434 [0,1,0,0,0,0|2,0,1]=4 45 B6R0.1 C=CC(=O)OCC SBB060348 [0,1,0,0,0,0|3,0,0]=4 46 B6R0.1 CCCC(=O)CC SBB061496 [0,1,0,0,0,0|2,0,0]=3 47 B6R0.1 CCCC(=O)NN SBB028175 [0,1,0,0,0,0|2,0,0]=3 48 B6R0.1 CCCC(=O)OC SBB061104 [0,1,0,0,0,0|1,0,0]=2 49 B6R0.1 CCCC(C)CO SBB061282 [0,1,0,0,0,0|2,0,1]=4 50 B6R0.1 CCCC(O)CC SBB061363 [0,1,0,0,0,0|2,0,1]=4 51 B6R0.1 CCC\C(N)=N/O SBB028173 [0,1,0,0,0,0|2,0,0]=3 52 B6R0.1 CCNC(=O)CBr SBB051008 [0,1,0,0,0,0|3,0,0]=4 53 B6R0.1 CCNC(=O)CCl SBB008200 [0,1,0,0,0,0|3,0,0]=4 54 B6R0.1 CCOC(=O)CBr SBB060995 [0,1,0,0,0,0|3,0,0]=4 55 B6R0.1 CCOC(=O)CC SBB060312 [0,1,0,0,0,0|3,0,0]=4 56 B6R0.1 CCOC(=O)NN SBB028182 [0,1,0,0,0,0|3,0,0]=4 57 B6R0.1 COC(=O)CC#N SBB059483 [0,1,0,0,0,0|1,0,1]=3 58 B6R0.1 COC(=O)CCBr SBB070709 [0,1,0,0,0,0|1,0,0]=2 59 B6R0.1 COC(=O)CCN SBB071679 [0,1,0,0,0,0|1,0,0]=2 60 B6R0.1 COCC(=O)NN SBB021113 [0,1,0,0,0,0|3,0,0]=4 61 B6R0.1 C\C=C\C(=O)OC SBB061218 [0,1,0,0,0,0|1,0,2]=4 62 B6R0.1 N#CCC(=O)NN SBB028164 [0,1,0,0,0,0|2,0,1]=4 63 B6R0.1 OC(CBr)CCBr SBB007842 [0,1,0,0,0,0|2,0,1]=4 64 B6R0.1 OCNC(=O)CCl SBB004273 [0,1,0,0,0,0|2,1,0]=4 65 B6R0.1 [NH3+]CC(=O)OCC SBB056599 [0,1,0,0,0,0|3,0,0]=4 66 B6R0.2 CC(=O)CC(C)=O SBB009914 [0,1,0,0,0,0|1,1,1]=4 67 B6R0.2 CC(=O)CC(C)C SBB060384 [0,1,0,0,0,0|2,0,0]=3 68 B6R0.2 CC(=O)CC(N)=O SBB061675 [0,1,0,0,0,0|1,1,1]=4 69 B6R0.2 CC(C)=CC(=O)O SBB065769 [0,1,0,0,0,0|1,0,2]=4 70 B6R0.2 CC(C)CB(O)O SBB062832 [0,1,0,0,0,0|2,0,1]=4 71 B6R0.2 CC(C)CC(=O)Cl SBB040623 [0,1,0,0,0,0|2,0,0]=3 72 B6R0.2 CC(C)CC(C)O SBB061337 [0,1,0,0,0,0|2,0,1]=4 73 B6R0.2 CC(C)CC(N)=O SBB028167 [0,1,0,0,0,0|2,0,0]=3 74 B6R0.2 CC(O)CC(=O)O SBB065815 [0,1,0,0,0,0|0,1,0]=2 75 B6R0.2 CN(C)CC(=O)O SBB065779 [0,1,0,0,0,0|2,0,0]=3 76 B6R0.2 NC(=O)CC(=O)O SBB049982 [0,1,0,0,0,0|0,1,1]=3 77 B6R0.2 NC(=O)CC(N)=O SBB044920 [0,1,0,0,0,0|1,1,1]=4 78 B6R0.2 NC(=O)C[N+](=O)[O-] SBB000037 [0,1,0,0,0,0|2,1,0]=4 79 B6R0.2 O=C(Cl)CC(=O)Cl SBB060017 [0,1,0,0,0,0|1,1,1]=4 80 B6R0.2 O=C(O)CC(=O)O SBB040552 [0,1,0,0,0,0|0,1,1]=3 81 B6R0.2 [NH+](C)(C)CC(=O)O SBB061663 [0,1,0,0,0,0|2,0,0]=3 82 B6R0.3 CC(CN)C(=O)O SBB061656 [0,1,0,0,0,0|1,0,0]=2 83 B6R0.3 CC(CO)[N+](=O)[O-] SBB108844 [0,1,0,0,0,0|1,1,1]=4 84 B6R0.3 CCC(=O)C(C)=O SBB061626 [0,1,0,0,0,0|2,0,1]=4 85 B6R0.3 CCC(Br)C(=O)O SBB040791 [0,1,0,0,0,0|1,0,0]=2 86 B6R0.3 CCC(N)C(N)=O SBB017505 [0,1,0,0,0,0|2,0,0]=3 87 B6R0.3 CC[C@H](N)C(=O)O SBB053588 [0,1,0,0,0,0|1,0,0]=2 88 B6R0.3 CN[C@@H](C)C(=O)O SBB069105 [0,1,0,0,0,0|2,0,0]=3 89 B6R0.3 CN[C@@H](C)C(=O)O SBB069106 [0,1,0,0,0,0|2,0,0]=3 90 B6R0.3 C\C=C(\C)C(=O)O SBB071598 [0,1,0,0,0,0|1,0,2]=4 91 B6R0.3 N#CC(N)C(N)=O SBB001501 [0,1,0,0,0,0|2,0,1]=4 92 B6R0.3 NC(=O)C(N)CO SBB004161 [0,1,0,0,0,0|1,1,0]=3 93 B6R0.3 NC(CO)C(=O)O SBB061655 [0,1,0,0,0,0|0,1,0]=2 94 B6R0.3 NCC(N)C(=O)O SBB060844 [0,1,0,0,0,0|1,0,0]=2 95 B6R0.3 NC[C@H](O)C(=O)O SBB062829 [0,1,0,0,0,0|1,0,0]=2 96 B6R0.3 O=C(O)C(=O)CBr SBB053571 [0,1,0,0,0,0|1,0,1]=3 97 B6R0.3 O=C(O)C(=O)CBr SBB053584 [0,1,0,0,0,0|1,0,1]=3 98 B6R0.3 O=C(O)C(Br)CBr SBB068302 [0,1,0,0,0,0|1,0,0]=2 99 B6R0.3 O=C(O)C(O)CCl SBB072606 [0,1,0,0,0,0|1,0,0]=2 100 B6R0.3 OC(=O)[C@@H](CN)N SBB005812 [0,1,0,0,0,0|1,0,0]=2 101 B6R0.4 C#CCCC(=O)O SBB009121 [0,1,0,0,0,0|1,0,0]=2 102 B6R0.4 C=CCCC(=O)O SBB061214 [0,1,0,0,0,0|1,0,0]=2 103 B6R0.4 C=CCCC(C)=O SBB009089 [0,1,0,0,0,0|2,0,0]=3 104 B6R0.4 CC(=O)NCCCl SBB008165 [0,1,0,0,0,0|2,0,0]=3 105 B6R0.4 CC(=O)NCCN SBB028176 [0,1,0,0,0,0|2,0,0]=3 106 B6R0.4 CC(=O)NCCO SBB007954 [0,1,0,0,0,0|1,1,0]=3 107 B6R0.4 CC(=O)OCCCl SBB058505 [0,1,0,0,0,0|2,0,0]=3 108 B6R0.4 CCC#CC(C)=O SBB009086 [0,1,0,0,0,0|2,0,1]=4 109 B6R0.4 CCCCC(=O)O SBB053585 [0,1,0,0,0,0|1,0,0]=2 110 B6R0.4 CCCCC(C)=O SBB061262 [0,1,0,0,0,0|2,0,0]=3 111 B6R0.4 CCCCC(C)O SBB061290 [0,1,0,0,0,0|2,0,1]=4 112 B6R0.4 CCCCC(N)=O SBB028169 [0,1,0,0,0,0|2,0,0]=3 113 B6R0.4 CCCNC(N)=O SBB028174 [0,1,0,0,0,0|2,0,0]=3 114 B6R0.4 CCCOC(C)=O SBB060305 [0,1,0,0,0,0|2,0,0]=3 115 B6R0.4 CCCOC(N)=O SBB000036 [0,1,0,0,0,0|2,0,0]=3 116 B6R0.4 CCOCC(=O)O SBB069120 [0,1,0,0,0,0|1,0,0]=2 117 B6R0.4 CCOCC(C)O SBB061006 [0,1,0,0,0,0|2,0,1]=4 118 B6R0.4 CCSCC(=O)O SBB047288 [0,1,0,0,0,0|1,0,0]=2 119 B6R0.4 CC\C=C\C(=O)O SBB061994 [0,1,0,0,0,0|1,0,1]=3 120 B6R0.4 CNCCC(N)=O SBB080375 [0,1,0,0,0,0|2,0,0]=3 121 B6R0.4 NCCCC(=O)O SBB028179 [0,1,0,0,0,0|1,0,0]=2 122 B6R0.4 NCCNC(=S)S SBB069239 [0,1,0,0,0,0|1,2,0]=4 123 B6R0.4 O=C(Cl)CCCCl SBB060894 [0,1,0,0,0,0|2,0,0]=3 124 B6R0.4 O=C(O)CCCBr SBB065986 [0,1,0,0,0,0|1,0,0]=2 125 B6R0.5 CCCS(=O)(=O)Cl SBB048026 [0,1,0,0,0,0|2,0,1]=4 126 B6R0.5 CS(=O)(=O)CCN SBB047603 [0,1,0,0,0,0|2,0,1]=4 127 B6R0.5 NCCS(N)(=O)=O SBB014994 [0,1,0,0,0,0|2,0,1]=4 128 B6R0.5 NCCS(N)(=O)=O SBB070085 [0,1,0,0,0,0|2,0,1]=4 129 B6R0.5 O=S(=O)(Cl)CCCl SBB048025 [0,1,0,0,0,0|2,0,1]=4 130 B6R0.5 [NH3+]CCS(=O)(=O)[O-] SBB061255 [0,1,0,0,0,0|2,0,1]=4 131 B6R1.2 O=C1C=CCO1 SBB040281 [0,0,0,1,0,0|1,0,2]=4 132 B6R1.2 O=C1CCCC1 SBB040835 [0,0,0,1,0,0|2,0,0]=3 133 B6R1.2 O=C1CCCN1 SBB060296 [0,0,0,1,0,0|2,0,0]=3 134 B6R1.2 O=C1CCNN1 SBB007977 [0,0,0,1,0,0|2,0,0]=3 135 B6R1.2 O=C1CCSC1 SBB007947 [0,0,0,1,0,0|1,0,0]=2 136 B6R1.2 OC1=NNCC1 SBB047550 [0,0,0,1,0,0|2,0,0]=3 137 B6R1.2 OC1CCNC1 SBB056152 [0,0,0,1,0,0|2,0,1]=4 138 B6R1.2 O[C@H]1CCNC1 SBB004272 [0,0,0,1,0,0|2,0,1]=4 139 B6R1.2 O[C@H]1CCNC1 SBB027336 [0,0,0,1,0,0|2,0,1]=4 140 B6R1.2 O[C@H]1CCOC1 SBB062959 [0,0,0,1,0,0|1,1,1]=4 141 B6R1.11 CC(=O)C1CC1 SBB040825 [0,0,0,1,0,0|2,0,0]=3 142 B6R1.11 N=C(N)C1CC1 SBB028203 [0,0,0,1,0,0|3,0,0]=4 143 B6R1.11 NC(=O)C1CC1 SBB008326 [0,0,0,1,0,0|2,0,0]=3 144 B6R1.11 NC(=S)C1CC1 SBB024106 [0,0,0,1,0,0|2,1,0]=4 145 B6R1.11 O=C(Cl)C1CC1 SBB061720 [0,0,0,1,0,0|2,0,0]=3 146 B6R1.11 O=C(O)C1CC1 SBB008028 [0,0,0,1,0,0|1,0,0]=2 147 B3R0.1 BrCCBr SBB040806 [2,0,0,0,0,0|2,0,0]=4 148 B3R0.1 C=CCBr SBB059929 [2,0,0,0,0,0|1,0,1]=4 149 B3R0.1 CCCBr SBB040931 [2,0,0,0,0,0|1,0,1]=4 150 B3R0.1 C\C=C\Cl SBB059896 [2,0,0,0,0,0|1,0,1]=4 151 B3R0.1 ClCCCl SBB040805 [2,0,0,0,0,0|2,0,0]=4 152 B3R0.1 NCCBr SBB005857 [2,0,0,0,0,0|2,0,0]=4 153 B3R0.1 NCCCl SBB005775 [2,0,0,0,0,0|2,0,0]=4 154 B3R0.1 OCCBr SBB058668 [2,0,0,0,0,0|1,0,0]=3 155 B3R0.1 [NH3+]CCBr SBB060242 [2,0,0,0,0,0|2,0,0]=4 156 B3R0.2 NC(N)=O SBB008449 [2,0,0,0,0,0|2,0,0]=4 157 B5R0.3 C#CC(=O)OC SBB049642 [1,1,0,0,0,0|0,0,2]=4 158 B5R0.3 CCC(=O)NN SBB021112 [1,1,0,0,0,0|1,0,0]=3 159 B5R0.3 CC\C(N)=N\O SBB024198 [1,1,0,0,0,0|1,0,0]=3 160 B5R0.3 CNC(=O)CBr SBB080576 [1,1,0,0,0,0|2,0,0]=4 161 B5R0.3 CNC(=O)CCl SBB049936 [1,1,0,0,0,0|2,0,0]=4 162 B5R0.3 COC(=O)CBr SBB056823 [1,1,0,0,0,0|1,0,0]=3 163 B5R0.3 COC(=O)CCl SBB040686 [1,1,0,0,0,0|1,0,0]=3 164 B5R0.3 COC(=O)NN SBB061728 [1,1,0,0,0,0|2,0,0]=4 165 B5R0.3 NNC(=O)CO SBB111858 [1,1,0,0,0,0|1,1,0]=4 166 B5R0.3 P(=O)(OC)OC SBB060964 [1,1,0,0,0,0|2,0,0]=4 167 B5R0.4 CCS(=O)(=O)Cl SBB061401 [1,1,0,0,0,0|1,0,1]=4 168 B5R0.5 CC(=O)C(C)Cl SBB060958 [1,1,0,0,0,0|1,0,0]=3 169 B5R0.5 CC(=O)C(F)F SBB021370 [1,1,0,0,0,0|2,0,0]=4 170 B5R0.5 CC(Br)C(=O)O SBB060286 [1,1,0,0,0,0|0,0,0]=2 171 B5R0.5 CC(C)C(=N)N SBB056456 [1,1,0,0,0,0|2,0,0]=4 172 B5R0.5 CC(C)C(=O)Cl SBB060269 [1,1,0,0,0,0|1,0,0]=3 173 B5R0.5 CC(O)C(=O)O SBB065762 [1,1,0,0,0,0|0,0,0]=2 174 B5R0.5 CN(C)C(=O)Cl SBB040876 [1,1,0,0,0,0|2,0,0]=4 175 B5R0.5 CN(C)C(=O)[O-] SBB059132 [1,1,0,0,0,0|1,0,1]=4 176 B5R0.2 C=COCCCl SBB061485 [1,1,0,0,0,0|2,0,0]=4 177 B5R0.2 C=COCCN SBB072719 [1,1,0,0,0,0|2,0,0]=4 178 B5R0.2 CSCCCO SBB056451 [1,1,0,0,0,0|0,0,1]=3 179 B5R0.2 O=C=NCCCl SBB054898 [1,1,0,0,0,0|1,0,1]=4 180 B5R0.2 OCCCCCl SBB002444 [1,1,0,0,0,0|1,0,1]=4 181 B7R0.2 CC(C)CC(=O)NN SBB021012 [0,2,0,0,0,0|2,0,0]=4 182 B7R0.2 CC(O)CC(=O)NN SBB072890 [0,2,0,0,0,0|1,1,0]=4 183 B7R0.2 CCC(C)CC(=O)O SBB008180 [0,2,0,0,0,0|1,0,0]=3 184 B7R0.2 CCC(C)NC(N)=O SBB008605 [0,2,0,0,0,0|2,0,0]=4 185 B7R0.2 COC(=O)CC(C)=O SBB060889 [0,2,0,0,0,0|0,1,1]=4 186 B7R0.2 COC(=O)C[N+](=O)[O-] SBB001681 [0,2,0,0,0,0|1,1,0]=4 187 B7R0.2 NC[C@@H](O)CC(=O)O SBB065945 [0,2,0,0,0,0|0,1,0]=3 188 B7R0.3 CCC(=O)OCCCl SBB060315 [0,2,0,0,0,0|2,0,0]=4 189 B7R0.3 CCCCC(=O)NN SBB028196 [0,2,0,0,0,0|2,0,0]=4 190 B7R0.3 CCCNC(=O)CCl SBB016586 [0,2,0,0,0,0|2,0,0]=4 191 B7R0.3 CCCOC(=O)CCl SBB060962 [0,2,0,0,0,0|2,0,0]=4 192 B7R0.3 CCCOC(=O)CS SBB061003 [0,2,0,0,0,0|1,1,0]=4 193 B7R0.3 CCOCC(=O)NN SBB080108 [0,2,0,0,0,0|2,0,0]=4 194 B7R0.3 CNCCC(=O)NC SBB046578 [0,2,0,0,0,0|2,0,0]=4 195 B7R0.3 CNCCC(=O)NC SBB080433 [0,2,0,0,0,0|2,0,0]=4 196 B7R0.3 COC(=N)CCCCl SBB056505 [0,2,0,0,0,0|2,0,0]=4 197 B7R0.3 COC(=O)\C=C\CBr SBB070730 [0,2,0,0,0,0|1,0,1]=4 198 B7R0.3 N(N)C(=O)CCOC SBB059492 [0,2,0,0,0,0|1,1,0]=4 199 B7R0.3 NNC(=O)CCCO SBB028199 [0,2,0,0,0,0|1,1,0]=4 200 B7R0.3 O=C(CCl)OCCCl SBB061273 [0,2,0,0,0,0|2,0,0]=4 201 B7R0.3 OC[C@H](CCSC)N SBB006701 [0,2,0,0,0,0|1,0,1]=4 202 B7R0.5 CC(NC=O)C(=O)O SBB047145 [0,2,0,0,0,0|0,1,1]=4 203 B7R0.5 CCCC(=O)N(C)C SBB008345 [0,2,0,0,0,0|2,0,0]=4 204 B7R0.5 CCCC(Br)C(=O)O SBB065976 [0,2,0,0,0,0|1,0,0]=3 205 B7R0.5 CCCC(C)C(=O)O SBB065915 [0,2,0,0,0,0|1,0,0]=3 206 B7R0.5 CCC[C@@H](N)C(=O)O SBB065919 [0,2,0,0,0,0|1,0,0]=3 207 B7R0.5 CC\C=C(/C)C(=O)O SBB069108 [0,2,0,0,0,0|1,0,1]=4 208 B7R0.5 CN(C)C(=O)CCN SBB085472 [0,2,0,0,0,0|2,0,0]=4 209 B7R0.5 CSC[C@H](N)C(=O)O SBB066379 [0,2,0,0,0,0|0,0,0]=2 210 B7R0.5 NC(CCO)C(=O)O SBB065734 [0,2,0,0,0,0|0,1,0]=3 211 B7R0.5 NC(CCS)C(=O)O SBB065757 [0,2,0,0,0,0|0,0,0]=2 212 B7R0.5 NCCC(N)C(=O)O SBB053580 [0,2,0,0,0,0|1,0,0]=3 213 B7R0.5 NCCC(N)C(=O)O SBB066000 [0,2,0,0,0,0|1,0,0]=3 214 B7R0.5 NCCC(O)C(=O)O SBB066010 [0,2,0,0,0,0|1,0,0]=3 215 B7R0.5 NCC[C@H](N)C(=O)O SBB003640 [0,2,0,0,0,0|1,0,0]=3 216 B7R0.5 OC(=O)[C@H](CC=C)N SBB006743 [0,2,0,0,0,0|1,0,0]=3 217 B7R0.7 CCCC(=O)CCC SBB060386 [0,2,0,0,0,0|2,0,0]=4 218 B7R0.7 CCOC(=O)CC#N SBB040821 [0,2,0,0,0,0|1,0,1]=4 219 B7R0.7 CCOC(=O)CCBr SBB070739 [0,2,0,0,0,0|1,0,0]=3 220 B7R0.7 CCOC(=O)CCN SBB004038 [0,2,0,0,0,0|1,0,0]=3 221 B7R0.7 CCOC(=O)CNN SBB021976 [0,2,0,0,0,0|2,0,0]=4 222 B7R0.7 CCOC(=O)CNN SBB054137 [0,2,0,0,0,0|2,0,0]=4 223 B7R0.7 CCOC(=O)OCC SBB060086 [0,2,0,0,0,0|2,0,0]=4 224 B7R0.7 N(C)CC(=O)OCC SBB004039 [0,2,0,0,0,0|2,0,0]=4 225 B7R0.7 O=C(NCO)NCO SBB071713 [0,2,0,0,0,0|1,1,0]=4 226 B7R0.10 CCC(Br)C(=O)OC SBB070737 [0,2,0,0,0,0|1,0,0]=3 227 B7R0.10 COC(=O)C(Cl)C=O SBB072103 [0,2,0,0,0,0|0,1,1]=4 228 B7R0.10 COC(=O)C(N)CO SBB004026 [0,2,0,0,0,0|0,1,0]=3 229 B7R0.10 COC(=O)C(N)CS SBB054105 [0,2,0,0,0,0|0,0,0]=2 230 B7R0.9 CC(=O)CC(C)(C)O SBB009084 [0,2,0,0,0,0|1,1,0]=4 231 B7R0.9 CC(C)(C)CC(=O)Cl SBB058618 [0,2,0,0,0,0|2,0,0]=4 232 B7R0.9 CC(C)(C)CC(=O)O SBB061347 [0,2,0,0,0,0|1,0,0]=3 233 B7R0.9 CC(C)(O)CC(=O)O SBB053604 [0,2,0,0,0,0|0,1,0]=3 234 B7R0.16 CC(C(=O)O)N(C)C SBB046579 [0,2,0,0,0,0|2,0,0]=4 235 B7R0.16 CC(C)C(N)C(N)=O SBB017492 [0,2,0,0,0,0|2,0,0]=4 236 B7R0.16 CC(C)[C@@H](N)C(=O)O SBB006709 [0,2,0,0,0,0|1,0,0]=3 237 B7R0.16 CC(C)[C@@H](O)C(=O)O SBB053572 [0,2,0,0,0,0|1,0,0]=3 238 B7R0.16 CC(C)[C@H](Br)C(=O)O SBB065818 [0,2,0,0,0,0|1,0,0]=3 239 B7R0.16 CC(C)[C@H](N)C(N)=O SBB056426 [0,2,0,0,0,0|2,0,0]=4 240 B7R0.16 CC(O)C(N)C(=O)O SBB061654 [0,2,0,0,0,0|0,1,0]=3 241 B7R0.13 CC(Br)(CBr)C(=O)O SBB069110 [0,2,0,0,0,0|1,0,0]=3 242 B7R0.13 CC(C)(CO)C(=O)O SBB053589 [0,2,0,0,0,0|0,1,0]=3 243 B7R0.13 CC(Cl)(CCl)C(=O)O SBB060998 [0,2,0,0,0,0|1,0,0]=3 244 B7R0.13 CCC(C)(C)C(=O)O SBB065772 [0,2,0,0,0,0|1,0,0]=3 245 B7R0.15 CCC(CC)C(=O)O SBB061341 [0,2,0,0,0,0|1,0,0]=3 246 B7R0.15 CCC(OC)C(N)=O SBB116762 [0,2,0,0,0,0|2,0,0]=4 247 B7R0.15 CNC(CS)C(=O)O SBB053575 [0,2,0,0,0,0|0,0,0]=2 248 B7R0.15 O=C(O)C(CBr)CBr SBB069082 [0,2,0,0,0,0|1,0,0]=3 249 B7R0.4 C#CCCCC(=O)O SBB009090 [0,2,0,0,0,0|1,0,0]=3 250 B7R0.4 CCCC#CC(=O)O SBB009091 [0,2,0,0,0,0|1,0,0]=3 251 B7R0.4 CCCCCC(=O)Cl SBB060011 [0,2,0,0,0,0|2,0,0]=4 252 B7R0.4 CCCCCC(=O)O SBB053586 [0,2,0,0,0,0|1,0,0]=3 253 B7R0.4 CCCCCC(C)=O SBB061125 [0,2,0,0,0,0|2,0,0]=4 254 B7R0.4 CCCCCC(N)=O SBB061056 [0,2,0,0,0,0|2,0,0]=4 255 B7R0.4 CCCCOC(N)=O SBB060819 [0,2,0,0,0,0|2,0,0]=4 256 B7R0.4 CCC\C=C\C(=O)O SBB009088 [0,2,0,0,0,0|1,0,0]=3 257 B7R0.4 CCOCCC(=O)O SBB053607 [0,2,0,0,0,0|0,1,0]=3 258 B7R0.4 COCCOC(C)=O SBB060999 [0,2,0,0,0,0|1,1,0]=4 259 B7R0.4 NCCCCC(=O)O SBB061559 [0,2,0,0,0,0|1,0,0]=3 260 B7R0.4 O=C(O)CCCCBr SBB061343 [0,2,0,0,0,0|1,0,0]=3 261 B7R0.4 O=C(O)CCCCCl SBB061215 [0,2,0,0,0,0|1,0,0]=3 262 B7R0.4 OC(=O)C\C=C/CC SBB006610 [0,2,0,0,0,0|1,0,0]=3 263 B7R0.6 CC(=O)CCC(=O)O SBB040561 [0,2,0,0,0,0|0,1,0]=3 264 B7R0.6 CC(=O)CCC(C)=O SBB040811 [0,2,0,0,0,0|1,1,0]=4 265 B7R0.6 CC(=O)NCC(=O)O SBB036034 [0,2,0,0,0,0|0,1,1]=4 266 B7R0.6 CC(C)CCC(=O)O SBB065829 [0,2,0,0,0,0|1,0,0]=3 267 B7R0.6 CC(C)CNC(N)=O SBB008242 [0,2,0,0,0,0|2,0,0]=4 268 B7R0.6 CC(C)\C=C\C(=O)O SBB061966 [0,2,0,0,0,0|1,0,1]=4 269 B7R0.6 N=C(N)NCC(=O)O SBB028198 [0,2,0,0,0,0|1,0,1]=4 270 B7R0.6 NC(=S)NCC(=O)O SBB057116 [0,2,0,0,0,0|0,0,2]=4 271 B7R0.6 O=C(Cl)CCC(=O)Cl SBB061367 [0,2,0,0,0,0|1,1,0]=4 272 B7R0.6 O=C(O)CCC(=O)O SBB040562 [0,2,0,0,0,0|0,1,0]=3 273 B7R0.8 CNCCS(=O)(=O)O SBB072665 [0,2,0,0,0,0|2,0,0]=4 274 B7R0.8 NCCCP(=O)(O)O SBB004184 [0,2,0,0,0,0|2,0,0]=4 275 B5R1.1 C1CSCN1 SBB111928 [1,0,0,1,0,0|2,0,0]=4 276 B7R1.1 ON=C1CCCC1 SBB060393 [0,1,0,1,0,0|2,0,0]=4 277 B7R1.2 O=C1CCC(=O)N1 SBB040866 [0,1,0,1,0,0|1,1,0]=4 278 B7R1.2 O=C1CCC(=O)O1 SBB040819 [0,1,0,1,0,0|0,1,0]=3 279 B7R1.2 O=C1COC(=O)C1 SBB008561 [0,1,0,1,0,0|0,1,1]=4 280 B7R1.2 O=C1CSC(S)=N1 SBB042652 [0,1,0,1,0,0|1,0,1]=4 281 B7R1.2 O=C1C[C@H](O)CO1 SBB055783 [0,1,0,1,0,0|0,1,0]=3 282 B7R1.3 O=C1C=CCCC1 SBB008209 [0,1,0,1,0,0|2,0,0]=4 283 B7R1.3 O=C1CCCCC1 SBB060074 [0,1,0,1,0,0|2,0,0]=4 284 B7R1.3 O=C1CCCCO1 SBB060349 [0,1,0,1,0,0|1,0,0]=3 285 B7R1.3 O=C1CCOCC1 SBB049627 [0,1,0,1,0,0|1,1,0]=4 286 B7R1.3 O=C1CCSCC1 SBB048121 [0,1,0,1,0,0|1,0,0]=3 287 B7R1.3 O=C1CNCCN1 SBB000034 [0,1,0,1,0,0|2,0,0]=4 288 B7R1.4 CN1CCCC1=O SBB060297 [0,1,0,1,0,0|2,0,0]=4 289 B7R1.4 NC1CCOC1=O SBB004366 [0,1,0,1,0,0|1,0,0]=3 290 B7R1.4 NC1CCOC1=O SBB057192 [0,1,0,1,0,0|1,0,0]=3 291 B7R1.4 NC1CCSC1=O SBB004035 [0,1,0,1,0,0|1,0,1]=4 292 B7R1.4 N[C@@H]1CSC[C@H]1O SBB014689 [0,1,0,1,0,0|1,0,1]=4 293 B7R1.4 N[C@H]1CONC1=O SBB006706 [0,1,0,1,0,0|1,1,0]=4 294 B7R1.4 O=C1OCCC1Br SBB083094 [0,1,0,1,0,0|1,0,0]=3 295 B7R1.10 O=C1CC(CO)C1 SBB054867 [0,1,0,1,0,0|1,1,0]=4 296 B7R1.22 COC(=O)C1CN1 SBB054042 [0,1,0,1,0,0|1,0,0]=3 297 B7R1.22 NNC(=O)C1CC1 SBB021014 [0,1,0,1,0,0|2,0,0]=4 298 B7R1.22 N\C(=N/O)C1CC1 SBB024038 [0,1,0,1,0,0|2,0,0]=4 299 B7R1.22 O=C(CBr)C1CC1 SBB051680 [0,1,0,1,0,0|2,0,0]=4 300 B7R1.12 C[C@H]1C[C@H]1C(=O)O SBB069055 [0,1,0,1,0,0|1,0,0]=3 301 B7R1.20 O=C(O)CC1CC1 SBB005442 [0,1,0,1,0,0|1,0,0]=3 302 B7R1.18 NC(=O)C1CCC1 SBB111823 [0,1,0,1,0,0|2,0,0]=4 303 B7R1.18 O=C(Cl)C1CCC1 SBB007882 [0,1,0,1,0,0|2,0,0]=4 304 B7R1.18 O=C(O)C1CCC1 SBB053465 [0,1,0,1,0,0|1,0,0]=3 305 B7R1.18 O=C(O)C1CCN1 SBB053470 [0,1,0,1,0,0|1,0,0]=3 306 B7R1.18 O=C(O)C1CNC1 SBB027353 [0,1,0,1,0,0|1,0,0]=3 307 B7R1.18 O=C(O)[C@@H]1CCN1 SBB004365 [0,1,0,1,0,0|1,0,0]=3 308 B7R1.19 CC1(C(=O)Cl)CC1 SBB053677 [0,1,0,1,0,0|2,0,0]=4 309 B7R1.19 CC1(C(=O)O)CC1 SBB053429 [0,1,0,1,0,0|1,0,0]=3 310 B7R1.19 NC1(C(=O)O)CC1 SBB059531 [0,1,0,1,0,0|1,0,0]=3 311 B7R1.19 NC1(C(=O)O)CC1 SBB065741 [0,1,0,1,0,0|1,0,0]=3