0 B5R0.5 C=C(C)C(=O)O 2825357 [0,0,0,0,0,0|1,0,1]=2 1 B5R0.5 CC(=O)C(=O)O 2825388 [0,0,0,0,0,0|0,0,2]=2 2 B5R0.5 CC(=O)C(C)=O 2825359 [0,0,0,0,0,0|1,0,2]=3 3 B5R0.5 CC(=O)C(C)C 2825372 [0,0,0,0,0,0|2,0,0]=2 4 B5R0.5 CC(=O)C(C)Cl 2825681 [0,0,0,0,0,0|2,0,0]=2 5 B5R0.5 CC(=O)C(C)O 2825393 [0,0,0,0,0,0|1,0,0]=1 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|1,0,0]=1 9 B5R0.5 CC(C)C(=O)Cl 1051695 [0,0,0,0,0,0|2,0,0]=2 10 B5R0.5 CC(C)C(=O)O 1201986 [0,0,0,0,0,0|1,0,0]=1 11 B5R0.5 CC(C)C(N)=O 1375169 [0,0,0,0,0,0|2,0,0]=2 12 B5R0.5 CC(C)C(N)=S 2043864 [0,0,0,0,0,0|2,1,0]=3 13 B5R0.5 CC(C)[N+](=O)[O-] 2825411 [0,0,0,0,0,0|2,0,1]=3 14 B5R0.5 CC(Cl)C(N)=O 2825697 [0,0,0,0,0,0|2,0,0]=2 15 B5R0.5 CC(N)C(=O)O 7216850010 [0,0,0,0,0,0|1,0,0]=1 16 B5R0.5 CC(N)C(C)N 5008336 [0,0,0,0,0,0|3,0,1]=4 17 B5R0.5 CC(O)C(=O)O 2825419 [0,0,0,0,0,0|0,0,0]=0 18 B5R0.5 CC(O)C(C)O 2825429 [0,0,0,0,0,0|1,0,1]=2 19 B5R0.5 CC(S)C(=O)O 2120474 [0,0,0,0,0,0|0,1,0]=1 20 B5R0.5 CN(C)C(=O)Cl 2197768 [0,0,0,0,0,0|3,0,0]=3 21 B5R0.5 C[C@H](N)C(=O)O 22430475 [0,0,0,0,0,0|1,0,0]=1 22 B5R0.5 O=C(Cl)C(Cl)Cl 2828865 [0,0,0,0,0,0|3,0,0]=3 23 B5R0.5 O=C(O)C(Cl)Cl 2826549 [0,0,0,0,0,0|2,0,0]=2 24 B4R0.1 C=C(C)CCl 2825437 [1,0,0,0,0,0|3,0,0]=4 25 B4R0.1 C=CC(=C)C 22430632 [1,0,0,0,0,0|2,0,1]=4 26 B4R0.1 C=CC(=O)O 2825263 [1,0,0,0,0,0|0,0,2]=3 27 B4R0.1 C=CC(C)=O 4434968 [1,0,0,0,0,0|1,0,2]=4 28 B4R0.1 C=CC(N)=O 2825260 [1,0,0,0,0,0|1,0,2]=4 29 B4R0.1 CC(=O)C=O 2825264 [1,0,0,0,0,0|0,0,2]=3 30 B4R0.1 CC(=O)CBr 2818247 [1,0,0,0,0,0|2,0,0]=3 31 B4R0.1 CC(=O)CCl 2825445 [1,0,0,0,0,0|2,0,0]=3 32 B4R0.1 CC(=O)CN 15296922 [1,0,0,0,0,0|2,0,0]=3 33 B4R0.1 CC(=O)CO 2825282 [1,0,0,0,0,0|1,0,0]=2 34 B4R0.1 CC(=O)NN 1778530 [1,0,0,0,0,0|3,0,0]=4 35 B4R0.1 CC(C)=NO 2816596 [1,0,0,0,0,0|2,0,1]=4 36 B4R0.1 CC(C)C#N 1519459 [1,0,0,0,0,0|2,0,1]=4 37 B4R0.1 CC(C)C=O 2825266 [1,0,0,0,0,0|1,0,0]=2 38 B4R0.1 CC(C)CBr 2827161 [1,0,0,0,0,0|2,0,1]=4 39 B4R0.1 CC(C)CN 1201821 [1,0,0,0,0,0|2,0,1]=4 40 B4R0.1 CC(C)CO 2825285 [1,0,0,0,0,0|1,0,1]=3 41 B4R0.1 CC(C)NN 11186491 [1,0,0,0,0,0|3,0,0]=4 42 B4R0.1 CC(C)[Mg]Cl 22430581 [1,0,0,0,0,0|3,0,0]=4 43 B4R0.1 CC(Cl)CN 22430566 [1,0,0,0,0,0|2,0,1]=4 44 B4R0.1 CC(N)CN 2825289 [1,0,0,0,0,0|2,0,1]=4 45 B4R0.1 CC(O)CN 2825298 [1,0,0,0,0,0|1,0,1]=3 46 B4R0.1 CCC(=O)Cl 1051693 [1,0,0,0,0,0|1,0,0]=2 47 B4R0.1 CCC(=O)O 14605034 [1,0,0,0,0,0|0,0,0]=1 48 B4R0.1 CCC(C)=O 3585902 [1,0,0,0,0,0|1,0,0]=2 49 B4R0.1 CCC(C)Br 2818248 [1,0,0,0,0,0|2,0,1]=4 50 B4R0.1 CCC(C)N 1146656 [1,0,0,0,0,0|2,0,1]=4 51 B4R0.1 CCC(C)O 2825288 [1,0,0,0,0,0|1,0,1]=3 52 B4R0.1 CCC(N)=O 1375166 [1,0,0,0,0,0|1,0,0]=2 53 B4R0.1 CCN(C)C 5221370 [1,0,0,0,0,0|3,0,0]=4 54 B4R0.1 CC[N+](=O)[O-] 2825295 [1,0,0,0,0,0|1,0,1]=3 55 B4R0.1 CNC(N)=O 1778531 [1,0,0,0,0,0|2,0,0]=3 56 B4R0.1 CNC(N)=S 1655198 [1,0,0,0,0,0|2,1,0]=4 57 B4R0.1 COC(=O)Cl 2825463 [1,0,0,0,0,0|2,0,0]=3 58 B4R0.1 COC(N)=O 2825294 [1,0,0,0,0,0|2,0,0]=3 59 B4R0.1 CSC(=N)N 22430370 [1,0,0,0,0,0|3,0,0]=4 60 B4R0.1 CSC(=N)N 8916343 [1,0,0,0,0,0|3,0,0]=4 61 B4R0.1 C[C@H](N)CO 7020694203 [1,0,0,0,0,0|1,0,1]=3 62 B4R0.1 C\C(Cl)=C/Cl 22430536 [1,0,0,0,0,0|2,0,1]=4 63 B4R0.1 C\C(N)=N\O 4434544 [1,0,0,0,0,0|2,0,1]=4 64 B4R0.1 NC(=O)CCl 2825454 [1,0,0,0,0,0|2,0,0]=3 65 B4R0.1 NC(=O)CS 3474154 [1,0,0,0,0,0|1,1,0]=3 66 B4R0.1 NC(=O)NO 4666717 [1,0,0,0,0,0|2,0,0]=3 67 B4R0.1 NCC(=O)O 2825296 [1,0,0,0,0,0|1,0,0]=2 68 B4R0.1 NCC(=O)O 5753509 [1,0,0,0,0,0|1,0,0]=2 69 B4R0.1 NNC(N)=O 2825793 [1,0,0,0,0,0|3,0,0]=4 70 B4R0.1 O=C(Cl)CCl 2825844 [1,0,0,0,0,0|2,0,0]=3 71 B4R0.1 O=C(O)CBr 2827321 [1,0,0,0,0,0|1,0,0]=2 72 B4R0.1 O=C(O)CCl 2825462 [1,0,0,0,0,0|1,0,0]=2 73 B4R0.1 O=C(O)CI 2928692 [1,0,0,0,0,0|1,0,0]=2 74 B4R0.1 O=C(O)CO 2825300 [1,0,0,0,0,0|0,0,0]=1 75 B4R0.1 O=C(O)CS 2119848 [1,0,0,0,0,0|0,1,0]=2 76 B4R0.1 O=C([O-])CS 6057377 [1,0,0,0,0,0|0,1,1]=3 77 B4R0.1 O=CC(=O)O 2825277 [1,0,0,0,0,0|0,0,2]=3 78 B6R0.3 C=C(C)C(=O)OC 2825557 [0,1,0,0,0,0|1,0,1]=3 79 B6R0.3 CC(C)C(=O)CO 3515356 [0,1,0,0,0,0|1,0,0]=2 80 B6R0.3 CC(CO)[N+](=O)[O-] 1444408 [0,1,0,0,0,0|1,0,1]=3 81 B6R0.3 CCC(Br)C(=O)Cl 3585900 [0,1,0,0,0,0|2,0,0]=3 82 B6R0.3 CCC(Br)C(=O)O 2842265 [0,1,0,0,0,0|1,0,0]=2 83 B6R0.3 CCC(Br)C(N)=O 2426701 [0,1,0,0,0,0|2,0,0]=3 84 B6R0.3 CCC(C)C(=O)O 1202010 [0,1,0,0,0,0|1,0,0]=2 85 B6R0.3 CCC(N)C(=O)O 2825633 [0,1,0,0,0,0|1,0,0]=2 86 B6R0.3 CN(C)C(=O)CN 1778577 [0,1,0,0,0,0|3,0,0]=4 87 B6R0.3 CNC(=O)C(C)N 5252248 [0,1,0,0,0,0|2,0,0]=3 88 B6R0.3 COC(=N)C(C)C 22430518 [0,1,0,0,0,0|2,0,0]=3 89 B6R0.3 COC(=O)C(=N)N 22430296 [0,1,0,0,0,0|2,0,1]=4 90 B6R0.3 COC(=O)C(=N)N 4059411 [0,1,0,0,0,0|2,0,1]=4 91 B6R0.3 COC(=O)C(C)C 2825605 [0,1,0,0,0,0|1,0,0]=2 92 B6R0.3 COC(=O)C(C)Cl 2826193 [0,1,0,0,0,0|1,0,0]=2 93 B6R0.3 COC(=O)C(C)N 4434594 [0,1,0,0,0,0|1,0,0]=2 94 B6R0.3 COC(=O)C(Cl)Cl 2827887 [0,1,0,0,0,0|2,0,0]=3 95 B6R0.3 NC(=O)C(N)CO 7010426 [0,1,0,0,0,0|2,0,0]=3 96 B6R0.3 NC(CS)C(=O)O 7216850007 [0,1,0,0,0,0|1,0,0]=2 97 B6R0.3 NC(CS)C(=O)O 7216850009 [0,1,0,0,0,0|1,0,0]=2 98 B6R0.3 N[C@@H](CO)C(=O)O 22430477 [0,1,0,0,0,0|1,0,0]=2 99 B6R0.3 O=C(CCl)C(Cl)Cl 2832504 [0,1,0,0,0,0|3,0,0]=4 100 B6R0.3 O=C(Cl)C(Br)CBr 15380606 [0,1,0,0,0,0|2,0,0]=3 101 B6R0.3 O=C(O)C(Br)CBr 3137001 [0,1,0,0,0,0|1,0,0]=2 102 B6R0.3 O=CC(O)C(=O)O 3664128 [0,1,0,0,0,0|0,0,1]=2 103 B6R0.3 [NH-]C(CS)C(=O)O 22430434 [0,1,0,0,0,0|1,0,0]=2 104 B6R0.7 CC(=O)C(C)(C)C 2825568 [0,1,0,0,0,0|2,0,0]=3 105 B6R0.7 CC(C)(Br)C(=O)Br 3585911 [0,1,0,0,0,0|2,0,0]=3 106 B6R0.7 CC(C)(Br)C(=O)Cl 3585814 [0,1,0,0,0,0|2,0,0]=3 107 B6R0.7 CC(C)(Br)C(N)=O 4787228 [0,1,0,0,0,0|2,0,0]=3 108 B6R0.7 CC(C)(C)C(=N)N 5252244 [0,1,0,0,0,0|3,0,0]=4 109 B6R0.7 CC(C)(C)C(=O)Cl 1051702 [0,1,0,0,0,0|2,0,0]=3 110 B6R0.7 CC(C)(C)C(=O)O 2825608 [0,1,0,0,0,0|1,0,0]=2 111 B6R0.7 CC(C)(N)C(=O)O 22430391 [0,1,0,0,0,0|1,0,0]=2 112 B6R0.7 CC(C)(O)C(=O)O 22430496 [0,1,0,0,0,0|0,0,0]=1 113 B6R0.7 CC(C)S(=O)(=O)Cl 1144950 [0,1,0,0,0,0|2,0,1]=4 114 B6R0.7 CC(C)S(N)(=O)=O 2652427 [0,1,0,0,0,0|2,0,1]=4 115 B6R0.7 NC(=O)C(Cl)(Cl)Cl 2832680 [0,1,0,0,0,0|3,0,0]=4 116 B6R0.7 NC(=O)C(F)(F)F 2825846 [0,1,0,0,0,0|3,0,0]=4 117 B6R0.7 O=C(O)C(Cl)(Cl)Cl 2832819 [0,1,0,0,0,0|2,0,0]=3 118 B6R0.7 O=C(O)C(F)(F)F 2825882 [0,1,0,0,0,0|2,0,0]=3 119 B6R0.7 O=C(O)C(F)(F)F 5792374 [0,1,0,0,0,0|2,0,0]=3 120 B6R1.11 CC(=O)C1CC1 1039330 [0,0,0,1,0,0|2,0,0]=3 121 B6R1.11 CC(O)C1CC1 1039331 [0,0,0,1,0,0|2,0,1]=4 122 B6R1.11 NC(=O)C1CC1 2825349 [0,0,0,1,0,0|2,0,0]=3 123 B6R1.11 O=C(Cl)C1CC1 1051696 [0,0,0,1,0,0|2,0,0]=3 124 B6R1.11 O=C(O)C1CC1 2825360 [0,0,0,1,0,0|1,0,0]=2 125 B6R0.2 CC(=O)C=C(C)C 2825513 [0,0,0,0,0,1|2,0,1]=4 126 B6R0.2 CC(=O)CC(C)=O 2825554 [0,0,0,0,0,1|1,0,2]=4 127 B6R0.2 CC(=O)CC(C)C 1366516 [0,0,0,0,0,1|2,0,0]=3 128 B6R0.2 CC(=O)CC(N)=O 2825579 [0,0,0,0,0,1|1,0,2]=4 129 B6R0.2 CC(C)=CC(=O)O 7017655456 [0,0,0,0,0,1|1,0,1]=3 130 B6R0.2 CC(C)=CC(N)=O 1375172 [0,0,0,0,0,1|2,0,1]=4 131 B6R0.2 CC(C)CC(=O)Cl 1051698 [0,0,0,0,0,1|2,0,0]=3 132 B6R0.2 CC(C)CC(=O)O 2825611 [0,0,0,0,0,1|1,0,0]=2 133 B6R0.2 CC(Cl)OC(=O)Cl 2827888 [0,0,0,0,0,1|2,0,0]=3 134 B6R0.2 CN(C)CC(=O)O 15386257 [0,0,0,0,0,1|2,0,0]=3 135 B6R0.2 O=C(O)CC(=O)O 2825643 [0,0,0,0,0,1|1,0,1]=3 136 B3R0.1 C#CCO 6057505 [2,0,0,0,0,0|1,0,1]=4 137 B3R0.1 C(=O)C=C 6057255 [2,0,0,0,0,0|0,0,2]=4 138 B3R0.1 C=CCBr 2826145 [2,0,0,0,0,0|2,0,0]=4 139 B3R0.1 C=CCCl 2825308 [2,0,0,0,0,0|2,0,0]=4 140 B3R0.1 C=CCN 3643807 [2,0,0,0,0,0|2,0,0]=4 141 B3R0.1 CCC#N 1519460 [2,0,0,0,0,0|1,0,1]=4 142 B3R0.1 CCC=O 2825243 [2,0,0,0,0,0|0,0,0]=2 143 B3R0.1 CCCBr 2826200 [2,0,0,0,0,0|1,0,1]=4 144 B3R0.1 CCCI 2843705 [2,0,0,0,0,0|1,0,1]=4 145 B3R0.1 CCCN 2825249 [2,0,0,0,0,0|1,0,1]=4 146 B3R0.1 COC=O 13507909 [2,0,0,0,0,0|1,0,0]=3 147 B3R0.1 NCCO 3585939 [2,0,0,0,0,0|1,0,1]=4 148 B3R0.1 NNC=O 2825252 [2,0,0,0,0,0|2,0,0]=4 149 B3R0.1 N\C=N\O 6923389 [2,0,0,0,0,0|2,0,0]=4 150 B3R0.1 O=CC=O 2825242 [2,0,0,0,0,0|0,0,2]=4 151 B3R0.1 O=CCCl 2825311 [2,0,0,0,0,0|1,0,0]=3 152 B3R0.1 OCCBr 2826257 [2,0,0,0,0,0|1,0,1]=4 153 B3R0.1 OCCCl 2825315 [2,0,0,0,0,0|1,0,1]=4 154 B3R0.1 OCCF 22430618 [2,0,0,0,0,0|1,0,1]=4 155 B3R0.1 OCCS 2121589 [2,0,0,0,0,0|0,1,1]=4 156 B3R0.2 CC(=N)N 2825466 [2,0,0,0,0,0|2,0,0]=4 157 B3R0.2 CC(=N)S 22430621 [2,0,0,0,0,0|1,1,0]=4 158 B3R0.2 CC(=O)O 22430651 [2,0,0,0,0,0|0,0,0]=2 159 B3R0.2 CC(=O)O 2825250 [2,0,0,0,0,0|0,0,0]=2 160 B3R0.2 CC(=O)O 2825650 [2,0,0,0,0,0|0,0,0]=2 161 B3R0.2 CC(=O)S 6057532 [2,0,0,0,0,0|0,1,0]=3 162 B3R0.2 CC(=O)[O-] 22430506 [2,0,0,0,0,0|0,0,1]=3 163 B3R0.2 CC(C)Br 2826201 [2,0,0,0,0,0|1,0,1]=4 164 B3R0.2 CC(C)Cl 8563287 [2,0,0,0,0,0|1,0,1]=4 165 B3R0.2 CC(C)I 2843704 [2,0,0,0,0,0|1,0,1]=4 166 B3R0.2 CC(C)N 22430489 [2,0,0,0,0,0|1,0,1]=4 167 B3R0.2 CC(C)N 2825248 [2,0,0,0,0,0|1,0,1]=4 168 B3R0.2 CC(C)S 2816601 [2,0,0,0,0,0|0,1,1]=4 169 B3R0.2 CC(N)=O 2825246 [2,0,0,0,0,0|1,0,0]=3 170 B3R0.2 CC(N)=S 2043866 [2,0,0,0,0,0|1,1,0]=4 171 B3R0.2 C[N+](=O)[O-] 6057031 [2,0,0,0,0,0|1,0,1]=4 172 B3R0.2 O=[N+]([O-])O 22430585 [2,0,0,0,0,0|1,0,1]=4 173 B5R0.1 CC(=O)CCN 1513437 [1,1,0,0,0,0|1,0,0]=3 174 B5R0.1 CC(C)CC=O 2825368 [1,1,0,0,0,0|1,0,0]=3 175 B5R0.1 CC(C)CCO 2825400 [1,1,0,0,0,0|1,0,1]=4 176 B5R0.1 CC(O)CNN 2630835 [1,1,0,0,0,0|1,0,1]=4 177 B5R0.1 CCCC(=O)Cl 1051694 [1,1,0,0,0,0|1,0,0]=3 178 B5R0.1 CCCC(=O)O 2825391 [1,1,0,0,0,0|0,0,0]=2 179 B5R0.1 CCCC(C)=O 1366507 [1,1,0,0,0,0|1,0,0]=3 180 B5R0.1 CCC[N+](=O)[O-] 2816671 [1,1,0,0,0,0|1,0,1]=4 181 B5R0.1 CCOC(=O)Cl 2825723 [1,1,0,0,0,0|1,0,0]=3 182 B5R0.1 CCOC(=S)[S-] 1445679 [1,1,0,0,0,0|0,2,0]=4 183 B5R0.1 CCOC(C)=N 6849557 [1,1,0,0,0,0|2,0,0]=4 184 B5R0.1 CCOC(N)=O 2825409 [1,1,0,0,0,0|1,0,0]=3 185 B5R0.1 CNCC(=O)O 1972908 [1,1,0,0,0,0|0,0,0]=2 186 B5R0.1 CNCC(C)O 1366510 [1,1,0,0,0,0|1,0,1]=4 187 B5R0.1 COCC(=O)Cl 1375180 [1,1,0,0,0,0|1,0,0]=3 188 B5R0.1 COCC(=O)O 2825420 [1,1,0,0,0,0|0,0,0]=2 189 B5R0.1 COCC(C)O 2816677 [1,1,0,0,0,0|0,0,1]=3 190 B5R0.1 COCC(N)=O 1375171 [1,1,0,0,0,0|1,0,0]=3 191 B5R0.1 COCC(N)=S 2043868 [1,1,0,0,0,0|1,1,0]=4 192 B5R0.1 C\C=C\C(=O)O 5252226 [1,1,0,0,0,0|0,0,1]=3 193 B5R0.1 N#CCC(=O)O 1519400 [1,1,0,0,0,0|0,0,1]=3 194 B5R0.1 N#CCC(N)=O 2825332 [1,1,0,0,0,0|1,0,1]=4 195 B5R0.1 NC(=O)CCBr 4787247 [1,1,0,0,0,0|1,0,0]=3 196 B5R0.1 NCCC(=O)O 2825410 [1,1,0,0,0,0|0,0,0]=2 197 B5R0.1 O=C(O)CCBr 2829509 [1,1,0,0,0,0|0,0,0]=2 198 B5R0.1 O=C(O)CCCl 2825726 [1,1,0,0,0,0|0,0,0]=2 199 B5R0.1 O=C(O)CCO 2255842 [1,1,0,0,0,0|0,0,0]=2 200 B5R0.1 O=C(O)CCS 2825675 [1,1,0,0,0,0|0,0,0]=2 201 B5R0.3 C#CC(=O)OC 2825331 [1,1,0,0,0,0|0,0,2]=4 202 B5R0.3 C=CC(=O)OC 2825362 [1,1,0,0,0,0|0,0,2]=4 203 B5R0.3 CCC(=O)CC 2825371 [1,1,0,0,0,0|1,0,0]=3 204 B5R0.3 CCC(C)CO 2816664 [1,1,0,0,0,0|1,0,1]=4 205 B5R0.3 CCC(N)CO 2204675 [1,1,0,0,0,0|1,0,1]=4 206 B5R0.3 CNC(=O)CCl 7020410071 [1,1,0,0,0,0|2,0,0]=4 207 B5R0.3 CNC(=O)NC 2825397 [1,1,0,0,0,0|2,0,0]=4 208 B5R0.3 COC(=O)C#N 6849688 [1,1,0,0,0,0|1,0,1]=4 209 B5R0.3 COC(=O)CBr 2820342 [1,1,0,0,0,0|1,0,0]=3 210 B5R0.3 COC(=O)CCl 2825724 [1,1,0,0,0,0|1,0,0]=3 211 B5R0.3 COC(=O)CI 4787273 [1,1,0,0,0,0|1,0,0]=3 212 B5R0.3 COC(=O)CN 2826298 [1,1,0,0,0,0|1,0,0]=3 213 B5R0.3 COC(=O)CS 2825674 [1,1,0,0,0,0|0,1,0]=3 214 B5R0.3 COC(=O)OC 2825421 [1,1,0,0,0,0|1,0,0]=3 215 B5R0.3 O=C(CCl)CCl 2826373 [1,1,0,0,0,0|2,0,0]=4 216 B5R0.3 O=C(CO)CO 22430589 [1,1,0,0,0,0|0,0,0]=2 217 B5R0.3 O=CC(=O)CO 3354149 [1,1,0,0,0,0|0,0,1]=3 218 B5R0.3 O=CC(Br)C=O 3669024 [1,1,0,0,0,0|1,0,1]=4 219 B5R0.3 OC(CCl)CCl 2817718 [1,1,0,0,0,0|1,0,1]=4 220 B5R0.3 OCC(O)CCl 2825766 [1,1,0,0,0,0|0,0,1]=3 221 B5R0.3 OCC(O)CO 2825442 [1,1,0,0,0,0|0,0,1]=3 222 B5R0.3 OCC(O)CS 22430414 [1,1,0,0,0,0|0,0,1]=3 223 B5R0.4 CC(C)(N)CO 2825414 [1,1,0,0,0,0|1,0,1]=4 224 B5R0.4 CC(C)(O)C#N 2825351 [1,1,0,0,0,0|1,0,1]=4 225 B5R0.4 CC(C)(O)CN 7020694197 [1,1,0,0,0,0|1,0,1]=4 226 B5R0.4 CCS(=O)(=O)Cl 22430516 [1,1,0,0,0,0|1,0,1]=4 227 B5R0.4 CCS(C)(=O)=O 1115483 [1,1,0,0,0,0|1,0,1]=4 228 B5R0.4 CCS(N)(=O)=O 2825737 [1,1,0,0,0,0|1,0,1]=4 229 B5R0.4 O=CC(Cl)(Cl)Cl 2833320 [1,1,0,0,0,0|2,0,0]=4 230 B7R0.2 CC(=O)NC(C)CO 1272770 [0,1,0,0,0,1|1,0,0]=3 231 B7R0.2 CC(C)NC(=O)CCl 7020410060 [0,1,0,0,0,1|2,0,0]=4 232 B7R0.2 CCC(N)CC(=O)O 6300639 [0,1,0,0,0,1|1,0,0]=3 233 B7R0.2 COC(=O)CC(C)=O 2825978 [0,1,0,0,0,1|0,0,2]=4 234 B7R0.2 COC(=O)\C=C(\C)N 4434985 [0,1,0,0,0,1|1,0,1]=4 235 B7R0.9 CC(=O)CC(C)(C)O 2825998 [0,1,0,0,0,1|1,0,0]=3 236 B7R0.9 CC(C)(C)CC(=O)O 1499901 [0,1,0,0,0,1|1,0,0]=3 237 B7R0.9 CC(C)(C)NC(N)=O 1778651 [0,1,0,0,0,1|2,0,0]=4 238 B7R0.9 C[N+](C)(C)CC(=O)O 22430433 [0,1,0,0,0,1|2,0,0]=4 239 B7R0.16 C=C(C(=O)O)C(C)C 3354367 [0,1,0,0,0,1|1,0,0]=3 240 B7R0.16 CC(C)C(Br)C(=O)Cl 2204585 [0,1,0,0,0,1|2,0,0]=4 241 B7R0.16 CC(C)C(N)C(=O)O 2826029 [0,1,0,0,0,1|1,0,0]=3 242 B7R0.16 CC(C)[C@H](N)C(=O)O 4434592 [0,1,0,0,0,1|1,0,0]=3 243 B7R0.16 CC(O)C(N)C(=O)O 2826109 [0,1,0,0,0,1|0,0,0]=2 244 B7R0.5 CCCC(N)C(=O)O 2817191 [0,2,0,0,0,0|1,0,0]=3 245 B7R0.5 CCOC(=O)C(C)=O 2825977 [0,2,0,0,0,0|0,0,2]=4 246 B7R0.5 CCOC(=O)C(C)Br 2840544 [0,2,0,0,0,0|1,0,0]=3 247 B7R0.5 CCOC(=O)C(C)O 2817217 [0,2,0,0,0,0|0,0,0]=2 248 B7R0.10 CC(=N\O)\C(C)=N\O 22430641 [0,2,0,0,0,0|1,0,1]=4 249 B7R0.10 CCC(Br)C(=O)OC 2850161 [0,2,0,0,0,0|1,0,0]=3 250 B7R0.10 CCC(N)C(=O)OC 1901583 [0,2,0,0,0,0|1,0,0]=3 251 B7R0.10 COC(=O)C(=O)OC 2826056 [0,2,0,0,0,0|0,0,2]=4 252 B7R0.10 COC(=O)C(Br)CBr 3095977 [0,2,0,0,0,0|1,0,0]=3 253 B7R0.10 COC(=O)C(Cl)CCl 6849722 [0,2,0,0,0,0|1,0,0]=3 254 B7R0.10 COC(=O)C(N)CO 2830265 [0,2,0,0,0,0|1,0,0]=3 255 B7R0.13 CC(C)(CCl)C(=O)O 2827155 [0,2,0,0,0,0|1,0,0]=3 256 B7R0.13 CC(C)(CN)C(N)=O 2246539 [0,2,0,0,0,0|2,0,0]=4 257 B7R0.13 CCC(C)(N)C(=O)O 2817189 [0,2,0,0,0,0|1,0,0]=3 258 B7R0.14 CC(C)(C)C(=O)CCl 2827034 [0,2,0,0,0,0|2,0,0]=4 259 B7R0.14 COC(=O)C(C)(C)N 2238054 [0,2,0,0,0,0|1,0,0]=3 260 B7R0.14 COC(=O)C(F)(F)F 2826461 [0,2,0,0,0,0|2,0,0]=4 261 B7R0.15 CCC(CC)C(=O)O 2825993 [0,2,0,0,0,0|1,0,0]=3 262 B7R0.15 COC(OC)C(C)=O 2826060 [0,2,0,0,0,0|1,0,0]=3 263 B7R0.15 COC(OC)C(C)O 9078758 [0,2,0,0,0,0|0,0,2]=4 264 B5R1.2 O=C1COC1 3463696 [1,0,0,1,0,0|1,0,0]=3 265 B5R1.2 OC1CNC1 3488477 [1,0,0,1,0,0|1,0,1]=4 266 B5R1.2 OC1COC1 5005520 [1,0,0,1,0,0|0,0,1]=3 267 B5R1.2 OC1CSC1 3354159 [1,0,0,1,0,0|0,1,1]=4 268 B5R1.3 ClCC1CO1 2825444 [1,0,0,1,0,0|1,0,1]=4 269 B5R1.3 OCC1CC1 1867144 [1,0,0,1,0,0|1,0,1]=4 270 B7R1.2 CC1CCC(=O)O1 2816763 [0,0,0,1,0,1|2,0,0]=4 271 B7R1.2 CC1CNC(=O)O1 7139625 [0,0,0,1,0,1|2,0,0]=4 272 B7R1.2 CC1COC(=O)O1 2816808 [0,0,0,1,0,1|1,0,0]=3 273 B7R1.2 O=C1CC(O)CN1 6849800 [0,0,0,1,0,1|1,0,0]=3 274 B7R1.2 O=C1CCC(O)O1 7133026 [0,0,0,1,0,1|1,0,0]=3 275 B7R1.16 O=S1(=O)CC(O)C1 6491972 [0,0,0,1,0,1|1,0,1]=4 276 B7R1.4 NC1CCSC1=O 2829689 [0,1,0,1,0,0|1,1,0]=4 277 B7R1.18 O=C(O)C1CCC1 22430500 [0,1,0,1,0,0|1,0,0]=3 278 B7R1.22 NNC(=O)C1CC1 1778560 [0,1,0,1,0,0|2,0,0]=4 279 B7R0.6 CC(=O)CCC(=O)O 2825979 [0,0,0,0,0,2|0,0,2]=4 280 B7R0.6 CC(=O)CSC(C)C 2652748 [0,0,0,0,0,2|2,0,0]=4 281 B7R0.6 CC(=O)NCC(=O)O 1045424 [0,0,0,0,0,2|0,0,2]=4 282 B7R0.6 CC(C)CNC(N)=O 1778648 [0,0,0,0,0,2|2,0,0]=4 283 B7R0.6 CC(C)COC(=O)Cl 2827151 [0,0,0,0,0,2|2,0,0]=4 284 B7R0.6 CC(C)SCC(=O)O 7020300467 [0,0,0,0,0,2|1,0,0]=3 285 B7R0.6 CN(C)CCC(=O)O 1901686 [0,0,0,0,0,2|2,0,0]=4 286 B7R0.6 O=C(O)CCC(=O)O 2826054 [0,0,0,0,0,2|1,0,1]=4 287 B7R0.6 O=C(O)\C=C/C(=O)O 6057163 [0,0,0,0,0,2|1,0,1]=4