0 B5R0.5 C=C(C)C(=O)O 2825357 [0,0,0,0,0,0|1,0,0]=1 1 B5R0.5 CC(=O)C(=O)O 2825388 [0,0,0,0,0,0|0,0,0]=0 2 B5R0.5 CC(=O)C(C)=O 2825359 [0,0,0,0,0,0|1,0,0]=1 3 B5R0.5 CC(=O)C(C)C 2825372 [0,0,0,0,0,0|2,0,1]=3 4 B5R0.5 CC(=O)C(C)Cl 2825681 [0,0,0,0,0,0|2,0,1]=3 5 B5R0.5 CC(=O)C(C)O 2825393 [0,0,0,0,0,0|1,0,1]=2 6 B5R0.5 CC(=O)N(C)C 2825378 [0,0,0,0,0,0|3,0,0]=3 7 B5R0.5 CC(=O)N(C)N 3354157 [0,0,0,0,0,0|3,0,0]=3 8 B5R0.5 CC(Br)C(=O)O 2829508 [0,0,0,0,0,0|1,0,1]=2 9 B5R0.5 CC(C)C(=O)Cl 1051695 [0,0,0,0,0,0|2,0,1]=3 10 B5R0.5 CC(C)C(=O)O 1201986 [0,0,0,0,0,0|1,0,1]=2 11 B5R0.5 CC(C)C(N)=O 1375169 [0,0,0,0,0,0|2,0,1]=3 12 B5R0.5 CC(C)C(N)=S 2043864 [0,0,0,0,0,0|2,1,1]=4 13 B5R0.5 CC(C)[N+](=O)[O-] 2825411 [0,0,0,0,0,0|2,0,2]=4 14 B5R0.5 CC(Cl)C(N)=O 2825697 [0,0,0,0,0,0|2,0,1]=3 15 B5R0.5 CC(N)C(=O)O 7216850010 [0,0,0,0,0,0|1,0,1]=2 16 B5R0.5 CC(O)C(=O)O 2825419 [0,0,0,0,0,0|0,0,2]=2 17 B5R0.5 CC(O)C(C)O 2825429 [0,0,0,0,0,0|1,0,3]=4 18 B5R0.5 CC(S)C(=O)O 2120474 [0,0,0,0,0,0|0,1,1]=2 19 B5R0.5 CN(C)C(=O)Cl 2197768 [0,0,0,0,0,0|3,0,0]=3 20 B5R0.5 C[C@H](N)C(=O)O 22430475 [0,0,0,0,0,0|1,0,1]=2 21 B5R0.5 O=C(Cl)C(Cl)Cl 2828865 [0,0,0,0,0,0|3,0,1]=4 22 B5R0.5 O=C(O)C(Cl)Cl 2826549 [0,0,0,0,0,0|2,0,1]=3 23 B4R0.1 C=C(C)C#N 8420357 [1,0,0,0,0,0|2,0,1]=4 24 B4R0.1 C=C(C)CCl 2825437 [1,0,0,0,0,0|2,0,1]=4 25 B4R0.1 C=CC(=C)C 22430632 [1,0,0,0,0,0|2,0,0]=3 26 B4R0.1 C=CC(=O)O 2825263 [1,0,0,0,0,0|0,0,1]=2 27 B4R0.1 C=CC(C)=O 4434968 [1,0,0,0,0,0|1,0,0]=2 28 B4R0.1 C=CC(N)=O 2825260 [1,0,0,0,0,0|1,0,1]=3 29 B4R0.1 CC(=O)C=O 2825264 [1,0,0,0,0,0|0,0,0]=1 30 B4R0.1 CC(=O)CBr 2818247 [1,0,0,0,0,0|1,0,1]=3 31 B4R0.1 CC(=O)CCl 2825445 [1,0,0,0,0,0|1,0,1]=3 32 B4R0.1 CC(=O)CN 15296922 [1,0,0,0,0,0|1,0,1]=3 33 B4R0.1 CC(=O)CO 2825282 [1,0,0,0,0,0|0,0,1]=2 34 B4R0.1 CC(=O)NN 1778530 [1,0,0,0,0,0|2,0,0]=3 35 B4R0.1 CC(C)=NO 2816596 [1,0,0,0,0,0|2,0,0]=3 36 B4R0.1 CC(C)C=O 2825266 [1,0,0,0,0,0|1,0,1]=3 37 B4R0.1 CC(C)CO 2825285 [1,0,0,0,0,0|1,0,2]=4 38 B4R0.1 CCC(=O)Cl 1051693 [1,0,0,0,0,0|1,0,1]=3 39 B4R0.1 CCC(=O)O 14605034 [1,0,0,0,0,0|0,0,1]=2 40 B4R0.1 CCC(C)=O 3585902 [1,0,0,0,0,0|1,0,1]=3 41 B4R0.1 CCC(C)O 2825288 [1,0,0,0,0,0|1,0,2]=4 42 B4R0.1 CCC(N)=O 1375166 [1,0,0,0,0,0|1,0,1]=3 43 B4R0.1 CC[N+](=O)[O-] 2825295 [1,0,0,0,0,0|1,0,2]=4 44 B4R0.1 CNC(N)=O 1778531 [1,0,0,0,0,0|2,0,0]=3 45 B4R0.1 CNC(N)=S 1655198 [1,0,0,0,0,0|2,1,0]=4 46 B4R0.1 COC(=O)Cl 2825463 [1,0,0,0,0,0|2,0,0]=3 47 B4R0.1 COC(N)=O 2825294 [1,0,0,0,0,0|2,0,0]=3 48 B4R0.1 CSC(=N)N 22430370 [1,0,0,0,0,0|3,0,0]=4 49 B4R0.1 CSC(=N)N 8916343 [1,0,0,0,0,0|3,0,0]=4 50 B4R0.1 C[C@H](N)CO 7020694203 [1,0,0,0,0,0|1,0,2]=4 51 B4R0.1 C\C(Cl)=C/Cl 22430536 [1,0,0,0,0,0|2,0,0]=3 52 B4R0.1 C\C(N)=N\O 4434544 [1,0,0,0,0,0|2,0,0]=3 53 B4R0.1 NC(=O)CCl 2825454 [1,0,0,0,0,0|2,0,1]=4 54 B4R0.1 NC(=O)CS 3474154 [1,0,0,0,0,0|1,1,1]=4 55 B4R0.1 NC(=O)NO 4666717 [1,0,0,0,0,0|2,0,0]=3 56 B4R0.1 NCC(=O)O 2825296 [1,0,0,0,0,0|1,0,1]=3 57 B4R0.1 NCC(=O)O 5753509 [1,0,0,0,0,0|1,0,1]=3 58 B4R0.1 NNC(N)=O 2825793 [1,0,0,0,0,0|3,0,0]=4 59 B4R0.1 O=C(Cl)CCl 2825844 [1,0,0,0,0,0|2,0,1]=4 60 B4R0.1 O=C(O)CBr 2827321 [1,0,0,0,0,0|1,0,1]=3 61 B4R0.1 O=C(O)CCl 2825462 [1,0,0,0,0,0|1,0,1]=3 62 B4R0.1 O=C(O)CI 2928692 [1,0,0,0,0,0|1,0,1]=3 63 B4R0.1 O=C(O)CO 2825300 [1,0,0,0,0,0|0,0,2]=3 64 B4R0.1 O=C(O)CS 2119848 [1,0,0,0,0,0|0,1,1]=3 65 B4R0.1 O=C([O-])CS 6057377 [1,0,0,0,0,0|0,1,2]=4 66 B4R0.1 O=CC(=O)O 2825277 [1,0,0,0,0,0|0,0,0]=1 67 B6R0.3 C=C(C)C(=O)OC 2825557 [0,1,0,0,0,0|1,0,0]=2 68 B6R0.3 CC(C)C(=O)CO 3515356 [0,1,0,0,0,0|1,0,1]=3 69 B6R0.3 CCC(Br)C(=O)Cl 3585900 [0,1,0,0,0,0|2,0,1]=4 70 B6R0.3 CCC(Br)C(=O)O 2842265 [0,1,0,0,0,0|1,0,1]=3 71 B6R0.3 CCC(Br)C(N)=O 2426701 [0,1,0,0,0,0|2,0,1]=4 72 B6R0.3 CCC(C)C(=O)O 1202010 [0,1,0,0,0,0|1,0,1]=3 73 B6R0.3 CCC(N)C(=O)O 2825633 [0,1,0,0,0,0|1,0,1]=3 74 B6R0.3 CN(C)C(=O)CN 1778577 [0,1,0,0,0,0|3,0,0]=4 75 B6R0.3 CNC(=O)C(C)N 5252248 [0,1,0,0,0,0|2,0,1]=4 76 B6R0.3 COC(=N)C(C)C 22430518 [0,1,0,0,0,0|2,0,1]=4 77 B6R0.3 COC(=O)C(=N)N 22430296 [0,1,0,0,0,0|2,0,0]=3 78 B6R0.3 COC(=O)C(=N)N 4059411 [0,1,0,0,0,0|2,0,0]=3 79 B6R0.3 COC(=O)C(C)C 2825605 [0,1,0,0,0,0|1,0,1]=3 80 B6R0.3 COC(=O)C(C)Cl 2826193 [0,1,0,0,0,0|1,0,1]=3 81 B6R0.3 COC(=O)C(C)N 4434594 [0,1,0,0,0,0|1,0,1]=3 82 B6R0.3 COC(=O)C(Cl)Cl 2827887 [0,1,0,0,0,0|2,0,1]=4 83 B6R0.3 NC(=O)C(N)CO 7010426 [0,1,0,0,0,0|2,0,1]=4 84 B6R0.3 NC(CS)C(=O)O 7216850007 [0,1,0,0,0,0|1,0,1]=3 85 B6R0.3 NC(CS)C(=O)O 7216850009 [0,1,0,0,0,0|1,0,1]=3 86 B6R0.3 N[C@@H](CO)C(=O)O 22430477 [0,1,0,0,0,0|1,0,1]=3 87 B6R0.3 O=C(CCl)C(Cl)Cl 2832504 [0,1,0,0,0,0|2,0,1]=4 88 B6R0.3 O=C(Cl)C(Br)CBr 15380606 [0,1,0,0,0,0|2,0,1]=4 89 B6R0.3 O=C(O)C(Br)CBr 3137001 [0,1,0,0,0,0|1,0,1]=3 90 B6R0.3 O=CC(O)C(=O)O 3664128 [0,1,0,0,0,0|1,0,1]=3 91 B6R0.3 [NH-]C(CS)C(=O)O 22430434 [0,1,0,0,0,0|1,0,1]=3 92 B6R0.7 CC(=O)C(C)(C)C 2825568 [0,1,0,0,0,0|2,0,1]=4 93 B6R0.7 CC(C)(Br)C(=O)Br 3585911 [0,1,0,0,0,0|2,0,1]=4 94 B6R0.7 CC(C)(Br)C(=O)Cl 3585814 [0,1,0,0,0,0|2,0,1]=4 95 B6R0.7 CC(C)(Br)C(N)=O 4787228 [0,1,0,0,0,0|2,0,1]=4 96 B6R0.7 CC(C)(C)C(=O)Cl 1051702 [0,1,0,0,0,0|2,0,1]=4 97 B6R0.7 CC(C)(C)C(=O)O 2825608 [0,1,0,0,0,0|1,0,1]=3 98 B6R0.7 CC(C)(N)C(=O)O 22430391 [0,1,0,0,0,0|1,0,1]=3 99 B6R0.7 CC(C)(O)C(=O)O 22430496 [0,1,0,0,0,0|0,0,2]=3 100 B6R0.7 O=C(O)C(Cl)(Cl)Cl 2832819 [0,1,0,0,0,0|2,0,1]=4 101 B6R0.7 O=C(O)C(F)(F)F 2825882 [0,1,0,0,0,0|2,0,1]=4 102 B6R0.7 O=C(O)C(F)(F)F 5792374 [0,1,0,0,0,0|2,0,1]=4 103 B6R1.11 CC(=O)C1CC1 1039330 [0,0,0,1,0,0|2,0,1]=4 104 B6R1.11 NC(=O)C1CC1 2825349 [0,0,0,1,0,0|2,0,1]=4 105 B6R1.11 O=C(Cl)C1CC1 1051696 [0,0,0,1,0,0|2,0,1]=4 106 B6R1.11 O=C(O)C1CC1 2825360 [0,0,0,1,0,0|1,0,1]=3 107 B6R0.2 CC(=O)C=C(C)C 2825513 [0,0,0,0,0,1|2,0,0]=3 108 B6R0.2 CC(=O)CC(C)=O 2825554 [0,0,0,0,0,1|1,0,0]=2 109 B6R0.2 CC(=O)CC(C)C 1366516 [0,0,0,0,0,1|2,0,1]=4 110 B6R0.2 CC(=O)CC(N)=O 2825579 [0,0,0,0,0,1|1,0,0]=2 111 B6R0.2 CC(=O)NC(=N)N 5970317 [0,0,0,0,0,1|2,0,0]=3 112 B6R0.2 CC(C)=CC(=O)O 7017655456 [0,0,0,0,0,1|1,0,0]=2 113 B6R0.2 CC(C)=CC(N)=O 1375172 [0,0,0,0,0,1|2,0,0]=3 114 B6R0.2 CC(C)=C[N+](=O)[O-] 4061406 [0,0,0,0,0,1|2,0,1]=4 115 B6R0.2 CC(C)CC(=O)Cl 1051698 [0,0,0,0,0,1|2,0,1]=4 116 B6R0.2 CC(C)CC(=O)O 2825611 [0,0,0,0,0,1|1,0,1]=3 117 B6R0.2 CC(Cl)OC(=O)Cl 2827888 [0,0,0,0,0,1|2,0,1]=4 118 B6R0.2 CN(C)CC(=O)O 15386257 [0,0,0,0,0,1|2,0,0]=3 119 B6R0.2 C\C([O-])=C\[N+](=O)[O-] 4061390 [0,0,0,0,0,1|1,0,2]=4 120 B6R0.2 NC(=O)CC(N)=O 7013010907 [0,0,0,0,0,1|2,0,0]=3 121 B6R0.2 NC(=O)CC(N)=S 7110951060 [0,0,0,0,0,1|2,1,0]=4 122 B6R0.2 NC(=O)C[N+](=O)[O-] 9078835 [0,0,0,0,0,1|2,0,1]=4 123 B6R0.2 O=C(O)CC(=O)O 2825643 [0,0,0,0,0,1|1,0,0]=2 124 B3R0.1 C(=O)C=C 6057255 [2,0,0,0,0,0|0,0,1]=3 125 B3R0.1 CCC=O 2825243 [2,0,0,0,0,0|0,0,1]=3 126 B3R0.1 COC=O 13507909 [2,0,0,0,0,0|1,0,0]=3 127 B3R0.1 NNC=O 2825252 [2,0,0,0,0,0|2,0,0]=4 128 B3R0.1 N\C=N\O 6923389 [2,0,0,0,0,0|2,0,0]=4 129 B3R0.1 O=CC=O 2825242 [2,0,0,0,0,0|0,0,0]=2 130 B3R0.1 O=CCCl 2825311 [2,0,0,0,0,0|1,0,1]=4 131 B3R0.2 CC(=N)N 2825466 [2,0,0,0,0,0|2,0,0]=4 132 B3R0.2 CC(=N)S 22430621 [2,0,0,0,0,0|1,1,0]=4 133 B3R0.2 CC(=O)O 22430651 [2,0,0,0,0,0|0,0,0]=2 134 B3R0.2 CC(=O)O 2825250 [2,0,0,0,0,0|0,0,0]=2 135 B3R0.2 CC(=O)O 2825650 [2,0,0,0,0,0|0,0,0]=2 136 B3R0.2 CC(=O)S 6057532 [2,0,0,0,0,0|0,1,0]=3 137 B3R0.2 CC(=O)[O-] 22430506 [2,0,0,0,0,0|0,0,1]=3 138 B3R0.2 CC(N)=O 2825246 [2,0,0,0,0,0|1,0,0]=3 139 B3R0.2 CC(N)=S 2043866 [2,0,0,0,0,0|1,1,0]=4 140 B3R0.2 C[N+](=O)[O-] 6057031 [2,0,0,0,0,0|1,0,1]=4 141 B3R0.2 O=[N+]([O-])O 22430585 [2,0,0,0,0,0|1,0,1]=4 142 B5R0.1 C=COC(C)=O 2825364 [1,1,0,0,0,0|1,0,0]=3 143 B5R0.1 CC(=O)CCN 1513437 [1,1,0,0,0,0|1,0,1]=4 144 B5R0.1 CC(C)=CCBr 22430446 [1,1,0,0,0,0|2,0,0]=4 145 B5R0.1 CC(C)CC=O 2825368 [1,1,0,0,0,0|1,0,1]=4 146 B5R0.1 CCCC(=O)Cl 1051694 [1,1,0,0,0,0|1,0,1]=4 147 B5R0.1 CCCC(=O)O 2825391 [1,1,0,0,0,0|0,0,1]=3 148 B5R0.1 CCCC(C)=O 1366507 [1,1,0,0,0,0|1,0,1]=4 149 B5R0.1 CCOC(=O)Cl 2825723 [1,1,0,0,0,0|1,0,1]=4 150 B5R0.1 CCOC(N)=O 2825409 [1,1,0,0,0,0|1,0,1]=4 151 B5R0.1 CNCC(=O)O 1972908 [1,1,0,0,0,0|0,0,1]=3 152 B5R0.1 COCC(=O)Cl 1375180 [1,1,0,0,0,0|1,0,1]=4 153 B5R0.1 COCC(=O)O 2825420 [1,1,0,0,0,0|0,0,1]=3 154 B5R0.1 COCC(N)=O 1375171 [1,1,0,0,0,0|1,0,1]=4 155 B5R0.1 C\C=C\C(=O)O 5252226 [1,1,0,0,0,0|0,0,0]=2 156 B5R0.1 N#CCC(=O)O 1519400 [1,1,0,0,0,0|0,0,2]=4 157 B5R0.1 NC(=O)CCBr 4787247 [1,1,0,0,0,0|1,0,1]=4 158 B5R0.1 NCCC(=O)O 2825410 [1,1,0,0,0,0|0,0,1]=3 159 B5R0.1 O=C(O)CCBr 2829509 [1,1,0,0,0,0|0,0,1]=3 160 B5R0.1 O=C(O)CCCl 2825726 [1,1,0,0,0,0|0,0,1]=3 161 B5R0.1 O=C(O)CCO 2255842 [1,1,0,0,0,0|0,0,1]=3 162 B5R0.1 O=C(O)CCS 2825675 [1,1,0,0,0,0|0,0,1]=3 163 B5R0.3 C#CC(=O)OC 2825331 [1,1,0,0,0,0|0,0,2]=4 164 B5R0.3 C=CC(=O)OC 2825362 [1,1,0,0,0,0|0,0,1]=3 165 B5R0.3 CCC(=O)CC 2825371 [1,1,0,0,0,0|1,0,1]=4 166 B5R0.3 CNC(=O)CCl 7020410071 [1,1,0,0,0,0|1,0,1]=4 167 B5R0.3 CNC(=O)NC 2825397 [1,1,0,0,0,0|2,0,0]=4 168 B5R0.3 COC(=O)C#N 6849688 [1,1,0,0,0,0|1,0,1]=4 169 B5R0.3 COC(=O)CBr 2820342 [1,1,0,0,0,0|1,0,1]=4 170 B5R0.3 COC(=O)CCl 2825724 [1,1,0,0,0,0|1,0,1]=4 171 B5R0.3 COC(=O)CI 4787273 [1,1,0,0,0,0|1,0,1]=4 172 B5R0.3 COC(=O)CN 2826298 [1,1,0,0,0,0|1,0,1]=4 173 B5R0.3 COC(=O)CS 2825674 [1,1,0,0,0,0|0,1,1]=4 174 B5R0.3 COC(=O)OC 2825421 [1,1,0,0,0,0|1,0,0]=3 175 B5R0.3 O=C(CCl)CCl 2826373 [1,1,0,0,0,0|1,0,1]=4 176 B5R0.3 O=C(CO)CO 22430589 [1,1,0,0,0,0|0,0,1]=3 177 B5R0.3 O=CC(=O)CO 3354149 [1,1,0,0,0,0|0,0,0]=2 178 B5R0.3 O=CC(Br)C=O 3669024 [1,1,0,0,0,0|1,0,1]=4 179 B5R0.4 CS(=O)(=O)NO 1778599 [1,1,0,0,0,0|2,0,0]=4 180 B7R0.2 CC(=O)NC(C)CO 1272770 [0,1,0,0,0,1|1,0,1]=4 181 B7R0.2 CCC(=O)OC(C)=O 22430373 [0,1,0,0,0,1|1,0,0]=3 182 B7R0.2 CCC(N)CC(=O)O 6300639 [0,1,0,0,0,1|1,0,1]=4 183 B7R0.2 COC(=O)CC(=O)Cl 2827150 [0,1,0,0,0,1|1,0,0]=3 184 B7R0.2 COC(=O)CC(C)=O 2825978 [0,1,0,0,0,1|0,0,0]=2 185 B7R0.2 COC(=O)CC(N)=S 2818085 [0,1,0,0,0,1|1,1,0]=4 186 B7R0.2 COC(=O)\C=C(\C)N 4434985 [0,1,0,0,0,1|1,0,0]=3 187 B7R0.2 NC(=O)NC(=O)CCl 7018771471 [0,1,0,0,0,1|1,0,0]=3 188 B7R0.9 CC(=O)CC(C)(C)O 2825998 [0,1,0,0,0,1|1,0,1]=4 189 B7R0.9 CC(C)(C)CC(=O)O 1499901 [0,1,0,0,0,1|1,0,1]=4 190 B7R0.9 C[N+](C)(C)CC(=O)O 22430433 [0,1,0,0,0,1|2,0,0]=4 191 B7R0.16 C=C(C(=O)O)C(C)C 3354367 [0,1,0,0,0,1|1,0,1]=4 192 B7R0.16 CC(=O)C(Cl)C(C)=O 2827033 [0,1,0,0,0,1|1,0,0]=3 193 B7R0.16 CC(C)C(N)C(=O)O 2826029 [0,1,0,0,0,1|1,0,1]=4 194 B7R0.16 CC(C)[C@H](N)C(=O)O 4434592 [0,1,0,0,0,1|1,0,1]=4 195 B7R0.16 CC(O)C(N)C(=O)O 2826109 [0,1,0,0,0,1|0,0,2]=4 196 B7R0.5 CCCC(N)C(=O)O 2817191 [0,2,0,0,0,0|1,0,1]=4 197 B7R0.5 CCOC(=O)C(C)=O 2825977 [0,2,0,0,0,0|0,0,0]=2 198 B7R0.5 CCOC(=O)C(C)Br 2840544 [0,2,0,0,0,0|1,0,1]=4 199 B7R0.5 CCOC(=O)C(C)O 2817217 [0,2,0,0,0,0|0,0,2]=4 200 B7R0.5 CCOC(=O)C(N)=S 2818086 [0,2,0,0,0,0|1,1,0]=4 201 B7R0.10 CC(=N\O)\C(C)=N\O 22430641 [0,2,0,0,0,0|1,0,1]=4 202 B7R0.10 CCC(Br)C(=O)OC 2850161 [0,2,0,0,0,0|1,0,1]=4 203 B7R0.10 CCC(N)C(=O)OC 1901583 [0,2,0,0,0,0|1,0,1]=4 204 B7R0.10 COC(=O)C(=O)OC 2826056 [0,2,0,0,0,0|0,0,0]=2 205 B7R0.10 COC(=O)C(Br)CBr 3095977 [0,2,0,0,0,0|1,0,1]=4 206 B7R0.10 COC(=O)C(Cl)CCl 6849722 [0,2,0,0,0,0|1,0,1]=4 207 B7R0.10 COC(=O)C(N)CO 2830265 [0,2,0,0,0,0|1,0,1]=4 208 B7R0.10 OC\C(Br)=C(/Br)CO 22430689 [0,2,0,0,0,0|2,0,0]=4 209 B7R0.13 CC(C)(CCl)C(=O)O 2827155 [0,2,0,0,0,0|1,0,1]=4 210 B7R0.13 CCC(C)(N)C(=O)O 2817189 [0,2,0,0,0,0|1,0,1]=4 211 B7R0.14 COC(=O)C(C)(C)N 2238054 [0,2,0,0,0,0|1,0,1]=4 212 B7R0.15 CCC(CC)C(=O)O 2825993 [0,2,0,0,0,0|1,0,1]=4 213 B7R0.15 COC(OC)C(C)=O 2826060 [0,2,0,0,0,0|0,0,2]=4 214 B7R0.15 N#C\C(=N/O)C(N)=O 22430329 [0,2,0,0,0,0|2,0,0]=4 215 B5R1.2 O=C1COC1 3463696 [1,0,0,1,0,0|0,0,1]=3 216 B7R1.2 CC1=CC(=O)CC1 2825479 [0,0,0,1,0,1|2,0,0]=4 217 B7R1.2 CC1=CC(C)=NO1 2825493 [0,0,0,1,0,1|2,0,0]=4 218 B7R1.2 CC1=CSC(=O)N1 2825947 [0,0,0,1,0,1|1,1,0]=4 219 B7R1.2 CC1=CSC(O)=N1 3354376 [0,0,0,1,0,1|1,1,0]=4 220 B7R1.2 CC1=NNC(O)=C1 7118292268 [0,0,0,1,0,1|2,0,0]=4 221 B7R1.2 CC1=NOC(N)=C1 1778555 [0,0,0,1,0,1|2,0,0]=4 222 B7R1.2 CC1=NOC([O-])=C1 6001148 [0,0,0,1,0,1|1,0,1]=4 223 B7R1.2 CC1COC(=O)O1 2816808 [0,0,0,1,0,1|1,0,1]=4 224 B7R1.2 N=C1NC(=O)CS1 9078803 [0,0,0,1,0,1|1,1,0]=4 225 B7R1.2 O=C1C=CC(=O)O1 2825505 [0,0,0,1,0,1|1,0,1]=4 226 B7R1.2 O=C1CCC(=O)N1 2825527 [0,0,0,1,0,1|1,0,0]=3 227 B7R1.2 O=C1CCC(=O)O1 2825548 [0,0,0,1,0,1|1,0,0]=3 228 B7R1.2 O=C1CCC(O)O1 7133026 [0,0,0,1,0,1|1,0,1]=4 229 B7R1.2 O=C1CSC(=O)N1 7112440002 [0,0,0,1,0,1|0,1,0]=3 230 B7R1.2 O=C1NC(O)=CS1 9078850 [0,0,0,1,0,1|2,0,0]=4 231 B7R1.18 O=C(O)C1CCC1 22430500 [0,1,0,1,0,0|1,0,1]=4 232 B7R0.6 CC(=O)CCC(=O)O 2825979 [0,0,0,0,0,2|0,0,0]=2 233 B7R0.6 CC(=O)CCC(C)=O 2825897 [0,0,0,0,0,2|1,0,0]=3 234 B7R0.6 CC(=O)CNC(C)=O 3354373 [0,0,0,0,0,2|1,0,0]=3 235 B7R0.6 CC(=O)NCC(=O)O 1045424 [0,0,0,0,0,2|0,0,0]=2 236 B7R0.6 CC(=O)OCC(N)=S 11186116 [0,0,0,0,0,2|1,1,0]=4 237 B7R0.6 CC(C)SCC(=O)O 7020300467 [0,0,0,0,0,2|1,0,1]=4 238 B7R0.6 CN(C)CCC(=O)O 1901686 [0,0,0,0,0,2|2,0,0]=4 239 B7R0.6 NC(=O)CCC(N)=O 0125160266 [0,0,0,0,0,2|2,0,0]=4 240 B7R0.6 NC(=O)\C=C/C(=O)O 8653754 [0,0,0,0,0,2|1,0,0]=3 241 B7R0.6 O=C(O)CCC(=O)O 2826054 [0,0,0,0,0,2|1,0,0]=3 242 B7R0.6 O=C(O)\C=C/C(=O)O 6057163 [0,0,0,0,0,2|1,0,0]=3