0 B6R0.2 C=C(C)OC(C)=O SBB056824 [0,0,0,0,0,0|2,0,2]=4 1 B6R0.2 CC(=O)C=C(C)C SBB040870 [0,0,0,0,0,0|1,0,2]=3 2 B6R0.2 CC(=O)CC(C)=O SBB009914 [0,0,0,0,0,0|2,0,1]=3 3 B6R0.2 CC(=O)CC(C)C SBB060384 [0,0,0,0,0,0|1,0,0]=1 4 B6R0.2 CC(=O)CC(N)=O SBB061675 [0,0,0,0,0,0|2,0,1]=3 5 B6R0.2 CC(=O)\C=C(\C)N SBB007945 [0,0,0,0,0,0|2,0,2]=4 6 B6R0.2 CC(=O)\C=C(\C)[O-] SBB080715 [0,0,0,0,0,0|2,0,2]=4 7 B6R0.2 CC(C)=CC(=O)O SBB065769 [0,0,0,0,0,0|0,0,2]=2 8 B6R0.2 CC(C)CB(O)O SBB062832 [0,0,0,0,0,0|1,0,1]=2 9 B6R0.2 CC(C)CC(=O)Cl SBB040623 [0,0,0,0,0,0|1,0,0]=1 10 B6R0.2 CC(C)CC(C)Br SBB007950 [0,0,0,0,0,0|2,0,1]=3 11 B6R0.2 CC(C)CC(C)O SBB061337 [0,0,0,0,0,0|1,0,1]=2 12 B6R0.2 CC(C)CC(N)=O SBB028167 [0,0,0,0,0,0|1,0,0]=1 13 B6R0.2 CC(C)NC(C)C SBB059763 [0,0,0,0,0,0|3,0,1]=4 14 B6R0.2 CC(O)CC(=O)O SBB065815 [0,0,0,0,0,0|1,0,0]=1 15 B6R0.2 CC(O)CN(C)C SBB060002 [0,0,0,0,0,0|2,0,1]=3 16 B6R0.2 CN(C)CC(=O)O SBB065779 [0,0,0,0,0,0|1,0,0]=1 17 B6R0.2 NC(=O)CC(=O)O SBB049982 [0,0,0,0,0,0|2,0,1]=3 18 B6R0.2 NC(=O)CC(N)=O SBB044920 [0,0,0,0,0,0|3,0,1]=4 19 B6R0.2 NC(=O)C[N+](=O)[O-] SBB000037 [0,0,0,0,0,0|4,0,0]=4 20 B6R0.2 O=C(Cl)CC(=O)Cl SBB060017 [0,0,0,0,0,0|3,0,1]=4 21 B6R0.2 O=C(O)CC(=O)O SBB040552 [0,0,0,0,0,0|2,0,1]=3 22 B6R0.2 [NH+](C)(C)CC(=O)O SBB061663 [0,0,0,0,0,0|1,0,0]=1 23 B5R0.1 C#CCC(=O)O SBB116169 [1,0,0,0,0,0|0,0,2]=3 24 B5R0.1 CC(=O)CC#N SBB014113 [1,0,0,0,0,0|2,0,1]=4 25 B5R0.1 CC(C)CCBr SBB061181 [1,0,0,0,0,0|1,0,1]=3 26 B5R0.1 CC(C)CCO SBB060162 [1,0,0,0,0,0|0,0,1]=2 27 B5R0.1 CC(C)CNN SBB042741 [1,0,0,0,0,0|2,0,0]=3 28 B5R0.1 CC(C)N=C=O SBB046976 [1,0,0,0,0,0|1,0,1]=3 29 B5R0.1 CC(C)N=C=S SBB056455 [1,0,0,0,0,0|1,1,1]=4 30 B5R0.1 CC(C)SC#N SBB060088 [1,0,0,0,0,0|2,0,1]=4 31 B5R0.1 CCCC(=O)Cl SBB040624 [1,0,0,0,0,0|1,0,0]=2 32 B5R0.1 CCOC(=O)Cl SBB040861 [1,0,0,0,0,0|2,0,0]=3 33 B5R0.1 CN(C)CCBr SBB073020 [1,0,0,0,0,0|2,0,1]=4 34 B5R0.1 CN(C)CCN SBB007533 [1,0,0,0,0,0|2,0,1]=4 35 B5R0.1 COCC(=O)O SBB061376 [1,0,0,0,0,0|1,0,0]=2 36 B5R0.1 CS(=O)CCN SBB050811 [1,0,0,0,0,0|3,0,0]=4 37 B5R0.1 CSCC(=O)O SBB053570 [1,0,0,0,0,0|1,0,0]=2 38 B5R0.1 N#CCC(N)=O SBB007540 [1,0,0,0,0,0|2,0,1]=4 39 B5R0.1 O=C(O)CCBr SBB065770 [1,0,0,0,0,0|1,0,0]=2 40 B5R0.1 O=C(O)CCCl SBB069140 [1,0,0,0,0,0|1,0,0]=2 41 B5R0.1 [NH+](C)(C)CCCl SBB057087 [1,0,0,0,0,0|2,0,1]=4 42 B7R0.2 CC(C)CC(=O)NN SBB021012 [0,1,0,0,0,0|1,0,0]=2 43 B7R0.2 CC(C)NC(=O)CBr SBB051007 [0,1,0,0,0,0|2,0,0]=3 44 B7R0.2 CC(C)NC(=O)CCl SBB016573 [0,1,0,0,0,0|2,0,0]=3 45 B7R0.2 CC(C)NC(=O)CN SBB085357 [0,1,0,0,0,0|2,0,0]=3 46 B7R0.2 CC(C)NC(=S)NN SBB017632 [0,1,0,0,0,0|2,1,0]=4 47 B7R0.2 CC(C)OC(=O)CCl SBB040600 [0,1,0,0,0,0|2,0,0]=3 48 B7R0.2 CC(C)OC(=O)CS SBB061230 [0,1,0,0,0,0|1,1,0]=3 49 B7R0.2 CC(CO)CN(C)C SBB046544 [0,1,0,0,0,0|2,0,1]=4 50 B7R0.2 CC(O)CC(=O)NN SBB072890 [0,1,0,0,0,0|2,0,0]=3 51 B7R0.2 CCC(=O)OC(C)C SBB061101 [0,1,0,0,0,0|2,0,0]=3 52 B7R0.2 CCC(C)CC(=O)O SBB008180 [0,1,0,0,0,0|0,0,0]=1 53 B7R0.2 CCC(C)NC(N)=O SBB008605 [0,1,0,0,0,0|2,0,0]=3 54 B7R0.2 CCC(O)CN(C)C SBB061151 [0,1,0,0,0,0|2,0,1]=4 55 B7R0.2 CC\C(C)=C\C(C)C SBB060471 [0,1,0,0,0,0|2,0,1]=4 56 B7R0.2 COC(=O)CC(C)=O SBB060889 [0,1,0,0,0,0|1,0,1]=3 57 B7R0.2 COC(=O)C[N+](=O)[O-] SBB001681 [0,1,0,0,0,0|3,0,0]=4 58 B7R0.2 COC(=O)\C=C(\C)N SBB061677 [0,1,0,0,0,0|1,0,2]=4 59 B7R0.2 NC[C@@H](O)CC(=O)O SBB065945 [0,1,0,0,0,0|1,0,0]=2 60 B7R0.9 CC(=O)CC(C)(C)O SBB009084 [0,1,0,0,0,0|1,0,0]=2 61 B7R0.9 CC(=O)NC(C)(C)C SBB008192 [0,1,0,0,0,0|2,0,0]=3 62 B7R0.9 CC(C)(C)CC(=O)Cl SBB058618 [0,1,0,0,0,0|1,0,0]=2 63 B7R0.9 CC(C)(C)CC(=O)O SBB061347 [0,1,0,0,0,0|0,0,0]=1 64 B7R0.9 CC(C)(C)NC(N)=O SBB008606 [0,1,0,0,0,0|2,0,0]=3 65 B7R0.9 CC(C)(O)CC(=O)O SBB053604 [0,1,0,0,0,0|0,0,0]=1 66 B7R0.9 CC(C)=CC(C)(C)C SBB060469 [0,1,0,0,0,0|2,0,1]=4 67 B7R0.9 CC(O)CC(C)(C)N SBB084391 [0,1,0,0,0,0|1,0,1]=3 68 B7R0.9 CC(O)CC(C)(C)O SBB061336 [0,1,0,0,0,0|1,0,1]=3 69 B7R0.9 C[N+](C)(C)CC(=O)[O-] SBB060872 [0,1,0,0,0,0|1,0,1]=3 70 B7R0.16 CC(=O)C(Cl)C(C)=O SBB058797 [0,1,0,0,0,0|2,0,1]=4 71 B7R0.16 CC(C(=O)O)N(C)C SBB046579 [0,1,0,0,0,0|1,0,0]=2 72 B7R0.16 CC(C)C(N)C(N)=O SBB017492 [0,1,0,0,0,0|1,0,0]=2 73 B7R0.16 CC(C)[C@@H](N)C(=O)O SBB006709 [0,1,0,0,0,0|0,0,0]=1 74 B7R0.16 CC(C)[C@@H](O)C(=O)O SBB053572 [0,1,0,0,0,0|0,0,0]=1 75 B7R0.16 CC(C)[C@H](Br)C(=O)O SBB065818 [0,1,0,0,0,0|0,0,0]=1 76 B7R0.16 CC(C)[C@H](N)C(N)=O SBB056426 [0,1,0,0,0,0|1,0,0]=2 77 B7R0.16 CC(O)C(N)C(=O)O SBB061654 [0,1,0,0,0,0|1,0,0]=2 78 B7R1.2 CC1CNC(=S)N1 SBB055856 [0,0,0,1,0,0|2,1,0]=4 79 B7R1.2 N1N=C(C)CC1=O SBB004372 [0,0,0,1,0,0|2,0,1]=4 80 B7R1.2 O=C1C=C(O)CO1 SBB056227 [0,0,0,1,0,0|1,0,2]=4 81 B7R1.2 O=C1COC(=O)C1 SBB008561 [0,0,0,1,0,0|1,0,1]=3 82 B7R1.2 O=C1C[C@H](O)CO1 SBB055783 [0,0,0,1,0,0|1,0,0]=2 83 B7R1.12 C[C@H]1C[C@H]1C(=O)O SBB069055 [0,0,0,1,0,0|0,0,0]=1 84 B7R1.20 N=C(N)NC1CC1 SBB018674 [0,0,0,1,0,0|3,0,0]=4 85 B7R1.20 O=C(O)CC1CC1 SBB005442 [0,0,0,1,0,0|0,0,0]=1 86 B5R0.5 CC(=O)C(C)Cl SBB060958 [0,0,0,0,1,0|2,0,0]=3 87 B5R0.5 CC(=O)C(F)F SBB021370 [0,0,0,0,1,0|3,0,0]=4 88 B5R0.5 CC(=S)N(C)C SBB007924 [0,0,0,0,1,0|2,1,0]=4 89 B5R0.5 CC(Br)C(=O)O SBB060286 [0,0,0,0,1,0|1,0,0]=2 90 B5R0.5 CC(C)C(=N)N SBB056456 [0,0,0,0,1,0|2,0,0]=3 91 B5R0.5 CC(C)C(=O)Cl SBB060269 [0,0,0,0,1,0|1,0,0]=2 92 B5R0.5 CC(O)C(=O)O SBB065762 [0,0,0,0,1,0|1,0,0]=2 93 B5R0.5 CN(C)C(=O)Cl SBB040876 [0,0,0,0,1,0|2,0,0]=3 94 B5R0.5 CN(C)C(=O)[O-] SBB059132 [0,0,0,0,1,0|1,0,1]=3 95 B5R0.5 CN(C)C(=S)Cl SBB085540 [0,0,0,0,1,0|2,1,0]=4 96 B5R0.5 [NH2+]=C(N)N(C)C SBB059825 [0,0,0,0,1,0|3,0,0]=4 97 B7R0.6 CC(=O)CCC(=O)O SBB040561 [0,0,0,0,0,1|1,0,1]=3 98 B7R0.6 CC(=O)CCC(C)=O SBB040811 [0,0,0,0,0,1|2,0,1]=4 99 B7R0.6 CC(=O)NCC(=O)O SBB036034 [0,0,0,0,0,1|1,0,1]=3 100 B7R0.6 CC(C)=NNC(N)=O SBB111787 [0,0,0,0,0,1|2,0,1]=4 101 B7R0.6 CC(C)CCC(=O)O SBB065829 [0,0,0,0,0,1|0,0,0]=1 102 B7R0.6 CC(C)CCC(C)N SBB008544 [0,0,0,0,0,1|2,0,1]=4 103 B7R0.6 CC(C)CCC(C)O SBB061318 [0,0,0,0,0,1|1,0,1]=3 104 B7R0.6 CC(C)CNC(C)C SBB046539 [0,0,0,0,0,1|2,0,1]=4 105 B7R0.6 CC(C)CNC(N)=O SBB008242 [0,0,0,0,0,1|1,0,0]=2 106 B7R0.6 CC(C)\C=C\C(=O)O SBB061966 [0,0,0,0,0,1|0,0,1]=2 107 B7R0.6 CC(O)COC(C)C SBB061008 [0,0,0,0,0,1|1,0,1]=3 108 B7R0.6 N=C(N)NCC(=O)O SBB028198 [0,0,0,0,0,1|2,0,1]=4 109 B7R0.6 NC(=S)NCC(=O)O SBB057116 [0,0,0,0,0,1|2,0,1]=4 110 B7R0.6 O=C(O)CCC(=O)O SBB040562 [0,0,0,0,0,1|2,0,1]=4 111 B4R0.1 CC(Br)CBr SBB060202 [2,0,0,0,0,0|2,0,0]=4 112 B4R0.1 CC(Br)CCl SBB061477 [2,0,0,0,0,0|2,0,0]=4 113 B4R0.1 CC(C)CBr SBB059932 [2,0,0,0,0,0|1,0,0]=3 114 B4R0.1 CC(C)NN SBB002129 [2,0,0,0,0,0|2,0,0]=4 115 B4R0.1 CC(Cl)CCl SBB059979 [2,0,0,0,0,0|2,0,0]=4 116 B4R0.1 CCC(C)Br SBB059931 [2,0,0,0,0,0|1,0,1]=4 117 B4R0.1 NCC(=O)O SBB071447 [2,0,0,0,0,0|1,0,0]=3 118 B4R0.1 NCC(=O)[O-] SBB116671 [2,0,0,0,0,0|1,0,1]=4 119 B4R0.1 O=C(Br)CBr SBB040828 [2,0,0,0,0,0|2,0,0]=4 120 B4R0.1 O=C(Cl)CBr SBB051682 [2,0,0,0,0,0|2,0,0]=4 121 B4R0.1 O=C(Cl)CCl SBB040859 [2,0,0,0,0,0|2,0,0]=4 122 B4R0.1 O=C(O)CBr SBB053569 [2,0,0,0,0,0|1,0,0]=3 123 B4R0.1 OCC(F)F SBB021966 [2,0,0,0,0,0|2,0,0]=4 124 B4R0.2 CCCCBr SBB059930 [2,0,0,0,0,0|1,0,1]=4 125 B4R0.2 C\C=C\CC SBB059879 [2,0,0,0,0,0|1,0,1]=4 126 B4R0.2 OCCCBr SBB054750 [2,0,0,0,0,0|1,0,1]=4 127 B6R0.1 C#CC(=O)OCC SBB060344 [1,1,0,0,0,0|2,0,0]=4 128 B6R0.1 C#CC(O)CCC SBB067434 [1,1,0,0,0,0|1,0,1]=4 129 B6R0.1 C=CC(=O)OCC SBB060348 [1,1,0,0,0,0|2,0,0]=4 130 B6R0.1 CCCC(=O)CC SBB061496 [1,1,0,0,0,0|1,0,0]=3 131 B6R0.1 CCCC(=O)NN SBB028175 [1,1,0,0,0,0|1,0,0]=3 132 B6R0.1 CCCC(=O)OC SBB061104 [1,1,0,0,0,0|0,0,0]=2 133 B6R0.1 CCCC(C)CO SBB061282 [1,1,0,0,0,0|1,0,1]=4 134 B6R0.1 CCCC(O)CC SBB061363 [1,1,0,0,0,0|1,0,1]=4 135 B6R0.1 CCC\C(N)=N/O SBB028173 [1,1,0,0,0,0|1,0,0]=3 136 B6R0.1 CCNC(=O)CBr SBB051008 [1,1,0,0,0,0|2,0,0]=4 137 B6R0.1 CCNC(=O)CCl SBB008200 [1,1,0,0,0,0|2,0,0]=4 138 B6R0.1 CCOC(=O)CBr SBB060995 [1,1,0,0,0,0|2,0,0]=4 139 B6R0.1 CCOC(=O)CC SBB060312 [1,1,0,0,0,0|2,0,0]=4 140 B6R0.1 CCOC(=O)NN SBB028182 [1,1,0,0,0,0|2,0,0]=4 141 B6R0.1 CNC(C)CCO SBB046542 [1,1,0,0,0,0|0,0,1]=3 142 B6R0.1 CNCC(C)OC SBB049894 [1,1,0,0,0,0|2,0,0]=4 143 B6R0.1 COC(=O)CC#N SBB059483 [1,1,0,0,0,0|1,0,1]=4 144 B6R0.1 COC(=O)CCBr SBB070709 [1,1,0,0,0,0|1,0,0]=3 145 B6R0.1 COC(=O)CCN SBB071679 [1,1,0,0,0,0|1,0,0]=3 146 B6R0.1 COCC(=O)NN SBB021113 [1,1,0,0,0,0|2,0,0]=4 147 B6R0.1 C\C=C\C(=O)OC SBB061218 [1,1,0,0,0,0|0,0,2]=4 148 B6R0.1 [NH3+]CC(=O)OCC SBB056599 [1,1,0,0,0,0|2,0,0]=4 149 B6R0.3 C#CC(O)C(C)C SBB009138 [1,1,0,0,0,0|1,0,1]=4 150 B6R0.3 CC(C)\C(N)=N/O SBB028172 [1,1,0,0,0,0|1,0,1]=4 151 B6R0.3 CC(CN)C(=O)O SBB061656 [1,1,0,0,0,0|1,0,0]=3 152 B6R0.3 CCC(=O)C(C)=O SBB061626 [1,1,0,0,0,0|1,0,1]=4 153 B6R0.3 CCC(Br)C(=O)O SBB040791 [1,1,0,0,0,0|0,0,0]=2 154 B6R0.3 CCC(C)C(C)C SBB061452 [1,1,0,0,0,0|1,0,1]=4 155 B6R0.3 CCC(N)C(N)=O SBB017505 [1,1,0,0,0,0|1,0,0]=3 156 B6R0.3 CC[C@H](N)C(=O)O SBB053588 [1,1,0,0,0,0|0,0,0]=2 157 B6R0.3 CN[C@@H](C)C(=O)O SBB069105 [1,1,0,0,0,0|1,0,0]=3 158 B6R0.3 CN[C@@H](C)C(=O)O SBB069106 [1,1,0,0,0,0|1,0,0]=3 159 B6R0.3 C\C=C(\C)C(=O)O SBB071598 [1,1,0,0,0,0|0,0,2]=4 160 B6R0.3 NC(=O)C(N)CO SBB004161 [1,1,0,0,0,0|2,0,0]=4 161 B6R0.3 NC(CO)C(=O)O SBB061655 [1,1,0,0,0,0|1,0,0]=3 162 B6R0.3 NCC(N)C(=O)O SBB060844 [1,1,0,0,0,0|1,0,0]=3 163 B6R0.3 NC[C@H](O)C(=O)O SBB062829 [1,1,0,0,0,0|1,0,0]=3 164 B6R0.3 O=C(O)C(=O)CBr SBB053571 [1,1,0,0,0,0|1,0,1]=4 165 B6R0.3 O=C(O)C(=O)CBr SBB053584 [1,1,0,0,0,0|1,0,1]=4 166 B6R0.3 O=C(O)C(Br)CBr SBB068302 [1,1,0,0,0,0|1,0,0]=3 167 B6R0.3 O=C(O)C(O)CCl SBB072606 [1,1,0,0,0,0|1,0,0]=3 168 B6R0.3 OC(=O)[C@@H](CN)N SBB005812 [1,1,0,0,0,0|1,0,0]=3 169 B6R0.4 C#CCCC(=O)O SBB009121 [1,1,0,0,0,0|0,0,1]=3 170 B6R0.4 C=CCCC(=O)O SBB061214 [1,1,0,0,0,0|0,0,1]=3 171 B6R0.4 C=CCCC(C)=O SBB009089 [1,1,0,0,0,0|1,0,1]=4 172 B6R0.4 C=COCC(C)C SBB060157 [1,1,0,0,0,0|1,0,0]=3 173 B6R0.4 CC(=O)NCCCl SBB008165 [1,1,0,0,0,0|2,0,0]=4 174 B6R0.4 CC(=O)NCCN SBB028176 [1,1,0,0,0,0|2,0,0]=4 175 B6R0.4 CC(=O)NCCO SBB007954 [1,1,0,0,0,0|2,0,0]=4 176 B6R0.4 CC(=O)OCCCl SBB058505 [1,1,0,0,0,0|2,0,0]=4 177 B6R0.4 CC(C)CN=C=S SBB017613 [1,1,0,0,0,0|0,1,1]=4 178 B6R0.4 CC(C)COC=O SBB061244 [1,1,0,0,0,0|0,0,0]=2 179 B6R0.4 CC(C)NCCN SBB048119 [1,1,0,0,0,0|1,0,1]=4 180 B6R0.4 CC(C)NCCO SBB056428 [1,1,0,0,0,0|0,0,1]=3 181 B6R0.4 CC(C)OCCN SBB301616 [1,1,0,0,0,0|1,0,1]=4 182 B6R0.4 CCC#CC(C)=O SBB009086 [1,1,0,0,0,0|1,0,1]=4 183 B6R0.4 CCCCC(=O)O SBB053585 [1,1,0,0,0,0|0,0,0]=2 184 B6R0.4 CCCCC(C)=O SBB061262 [1,1,0,0,0,0|1,0,0]=3 185 B6R0.4 CCCCC(C)O SBB061290 [1,1,0,0,0,0|1,0,1]=4 186 B6R0.4 CCCCC(N)=O SBB028169 [1,1,0,0,0,0|1,0,0]=3 187 B6R0.4 CCCNC(N)=O SBB028174 [1,1,0,0,0,0|1,0,0]=3 188 B6R0.4 CCCOC(C)=O SBB060305 [1,1,0,0,0,0|1,0,0]=3 189 B6R0.4 CCCOC(N)=O SBB000036 [1,1,0,0,0,0|1,0,0]=3 190 B6R0.4 CCOCC(=O)O SBB069120 [1,1,0,0,0,0|0,0,0]=2 191 B6R0.4 CCOCC(C)O SBB061006 [1,1,0,0,0,0|1,0,1]=4 192 B6R0.4 CCSCC(=O)O SBB047288 [1,1,0,0,0,0|0,0,0]=2 193 B6R0.4 CC\C=C\C(=O)O SBB061994 [1,1,0,0,0,0|0,0,1]=3 194 B6R0.4 CNCCC(N)=O SBB080375 [1,1,0,0,0,0|1,0,0]=3 195 B6R0.4 NCCCC(=O)O SBB028179 [1,1,0,0,0,0|0,0,0]=2 196 B6R0.4 O=C(Cl)CCCCl SBB060894 [1,1,0,0,0,0|1,0,0]=3 197 B6R0.4 O=C(O)CCCBr SBB065986 [1,1,0,0,0,0|0,0,0]=2 198 B6R0.5 CC(C)(C)CCCl SBB059953 [1,1,0,0,0,0|1,0,1]=4 199 B6R0.5 CC(C)(C)CCN SBB059532 [1,1,0,0,0,0|1,0,1]=4 200 B6R0.5 CC(C)(C)N=C=O SBB067148 [1,1,0,0,0,0|1,0,1]=4 201 B6R0.5 CC(C)(C)ON=O SBB007659 [1,1,0,0,0,0|2,0,0]=4 202 B6R0.5 CCCC(C)(C)N SBB052122 [1,1,0,0,0,0|1,0,1]=4 203 B6R0.5 CCCS(=O)(=O)Cl SBB048026 [1,1,0,0,0,0|1,0,1]=4 204 B6R0.5 C[N+](C)(C)CCO SBB060960 [1,1,0,0,0,0|1,0,1]=4 205 B6R0.5 O=CCC(F)(F)F SBB017338 [1,1,0,0,0,0|2,0,0]=4 206 B6R0.7 CC(=O)C(C)(C)C SBB060385 [0,1,0,0,1,0|1,0,0]=3 207 B6R0.7 CC(=O)C(C)(C)Cl SBB008903 [0,1,0,0,1,0|1,0,0]=3 208 B6R0.7 CC(=O)C(C)(C)N SBB013635 [0,1,0,0,1,0|1,0,0]=3 209 B6R0.7 CC(C)(Br)C(=O)O SBB065985 [0,1,0,0,1,0|0,0,0]=2 210 B6R0.7 CC(C)(C)C(=N)N SBB072322 [0,1,0,0,1,0|2,0,0]=4 211 B6R0.7 CC(C)(C)C(=O)Cl SBB060922 [0,1,0,0,1,0|1,0,0]=3 212 B6R0.7 CC(C)(C)C(N)=O SBB028170 [0,1,0,0,1,0|1,0,0]=3 213 B6R0.7 CC(C)(C)[S@](N)=O SBB056498 [0,1,0,0,1,0|2,0,0]=4 214 B6R0.7 CC(C)(N)C(=O)O SBB028178 [0,1,0,0,1,0|0,0,0]=2 215 B6R0.7 CC(C)(O)C(=O)O SBB065771 [0,1,0,0,1,0|0,0,0]=2 216 B6R0.7 O=C(O)C(Br)(Br)Br SBB065991 [0,1,0,0,1,0|2,0,0]=4 217 B8R0.9 CC(C)COC(=O)CCl SBB060938 [0,1,0,0,0,1|1,0,0]=3 218 B8R0.9 CC(C)COC(=O)CS SBB061005 [0,1,0,0,0,1|0,1,0]=3 219 B8R0.9 CC(C)OCC(=O)NN SBB080051 [0,1,0,0,0,1|1,0,0]=3 220 B8R0.9 CC(C)OCC(O)CN SBB010264 [0,1,0,0,0,1|1,0,1]=4 221 B8R0.9 CCC(=O)CCC(=O)O SBB072628 [0,1,0,0,0,1|1,0,1]=4 222 B8R0.9 CCC(=O)OCC(C)C SBB060974 [0,1,0,0,0,1|1,0,0]=3 223 B8R0.9 CNC(=O)CCC(=O)O SBB007999 [0,1,0,0,0,1|1,0,1]=4 224 B8R0.9 COC(=O)CCC(=O)O SBB061270 [0,1,0,0,0,1|1,0,1]=4 225 B8R0.9 COC(=O)\C=C\C(C)C SBB061964 [0,1,0,0,0,1|0,0,1]=3 226 B8R0.9 COC(C)OCC(C)C SBB059866 [0,1,0,0,0,1|1,0,1]=4 227 B8R0.9 NCC(=O)CCC(=O)O SBB003880 [0,1,0,0,0,1|1,0,1]=4 228 B8R0.9 NCC(=O)CCC(=O)O SBB071696 [0,1,0,0,0,1|1,0,1]=4 229 B8R0.9 NCC(=O)NCC(=O)O SBB067231 [0,1,0,0,0,1|1,0,1]=4 230 B8R0.23 CC(=O)CC(=O)N(C)C SBB007704 [0,1,0,0,0,1|2,0,0]=4 231 B8R0.23 CC(=O)CC(C)C(=O)O SBB053608 [0,1,0,0,0,1|1,0,1]=4 232 B8R0.23 CC(=O)NC(C)C(=O)O SBB000064 [0,1,0,0,0,1|1,0,1]=4 233 B8R0.23 CC(C)CC(N)C(N)=O SBB000156 [0,1,0,0,0,1|1,0,0]=3 234 B8R0.23 CC(C)CC(N)C(N)=O SBB072626 [0,1,0,0,0,1|1,0,0]=3 235 B8R0.23 CC(C)C[C@@H](N)C(=O)O SBB006736 [0,1,0,0,0,1|0,0,0]=2 236 B8R0.23 CC(C)C[C@H](O)C(=O)O SBB065948 [0,1,0,0,0,1|0,0,0]=2 237 B8R0.23 CC(C)OC(C)C(=O)[O-] SBB080489 [0,1,0,0,0,1|0,0,1]=3 238 B8R0.29 CC(C)(N)CCC(=O)O SBB019066 [0,1,0,0,0,1|0,0,0]=2 239 B8R0.29 CC(C)CCC(C)(C)O SBB072704 [0,1,0,0,0,1|1,0,1]=4 240 B8R0.29 CS(=O)(=O)NCC(=O)O SBB049984 [0,1,0,0,0,1|2,0,0]=4 241 B8R0.29 O=C(O)CCC(F)(F)F SBB051072 [0,1,0,0,0,1|2,0,0]=4 242 B8R0.2 CCC(C)C(Br)C(=O)O SBB069132 [0,2,0,0,0,0|0,0,0]=2 243 B8R0.2 COC(=O)C(N)C(C)C SBB003876 [0,2,0,0,0,0|0,0,0]=2 244 B8R0.2 COC(=O)[C@@H](N)C(C)C SBB302661 [0,2,0,0,0,0|0,0,0]=2 245 B8R0.2 [C@H](C)(CC)[C@H](N)C(=O)O SBB037854 [0,2,0,0,0,0|0,0,0]=2 246 B8R0.2 [NH3+][C@H](C(=O)[O-])[C@H](C)OC SBB069865 [0,2,0,0,0,0|0,0,1]=3 247 B8R0.5 CC(C)NC(=O)CC#N SBB047976 [0,2,0,0,0,0|2,0,0]=4 248 B8R0.5 CC(C)OC(=O)CC#N SBB056441 [0,2,0,0,0,0|2,0,0]=4 249 B8R0.5 CCCC(=O)OC(C)C SBB061106 [0,2,0,0,0,0|2,0,0]=4 250 B8R0.5 CCCC(C)CC(=O)O SBB061321 [0,2,0,0,0,0|0,0,0]=2 251 B8R0.5 CCOC(=O)CC(=O)O SBB066094 [0,2,0,0,0,0|1,0,1]=4 252 B8R0.5 CCOC(=O)CC(C)=O SBB040867 [0,2,0,0,0,0|1,0,1]=4 253 B8R0.5 CCOC(=O)CC(C)C SBB061114 [0,2,0,0,0,0|0,0,0]=2 254 B8R0.5 CCOC(=O)CC(C)N SBB108871 [0,2,0,0,0,0|1,0,0]=3 255 B8R0.16 CCN(CC)CC(=O)O SBB010260 [0,2,0,0,0,0|1,0,0]=3 256 B8R0.19 CCC(=O)OC(C)CC SBB061103 [0,2,0,0,0,0|2,0,0]=4 257 B8R0.19 CN\C(C)=C/C(=O)OC SBB037868 [0,2,0,0,0,0|0,0,2]=4 258 B8R0.19 COC(=O)CC(=O)CCl SBB061676 [0,2,0,0,0,0|1,0,1]=4 259 B8R0.24 C#CC(=O)OC(C)(C)C SBB067435 [0,2,0,0,0,0|2,0,0]=4 260 B8R0.24 C=CC(=O)NC(C)(C)C SBB008122 [0,2,0,0,0,0|2,0,0]=4 261 B8R0.24 CC(C)(C)CC(=O)NN SBB021013 [0,2,0,0,0,0|1,0,0]=3 262 B8R0.24 CC(C)(C)NC(=O)CCl SBB016593 [0,2,0,0,0,0|2,0,0]=4 263 B8R0.24 CC(C)(C)NC(=O)CN SBB302535 [0,2,0,0,0,0|2,0,0]=4 264 B8R0.24 CC(C)(C)OC(=O)CBr SBB070756 [0,2,0,0,0,0|2,0,0]=4 265 B8R0.24 CC(C)(C)OC(=O)CN SBB003877 [0,2,0,0,0,0|2,0,0]=4 266 B8R0.24 CC(C)(C)OC(=O)CN SBB069858 [0,2,0,0,0,0|2,0,0]=4 267 B8R0.24 CC(C)(C)OC(=O)NN SBB056790 [0,2,0,0,0,0|2,0,0]=4 268 B8R0.24 CC(C)(C)OC(=O)NO SBB059490 [0,2,0,0,0,0|1,0,0]=3 269 B8R0.24 CC(CO)CC(C)(C)C SBB072702 [0,2,0,0,0,0|1,0,1]=4 270 B8R0.24 CCC(=O)NC(C)(C)C SBB060291 [0,2,0,0,0,0|2,0,0]=4 271 B8R0.24 CNC(=O)OC(C)(C)C SBB085461 [0,2,0,0,0,0|2,0,0]=4 272 B8R0.24 COC(=O)CS(C)(=O)=O SBB054133 [0,2,0,0,0,0|2,0,0]=4 273 B8R0.24 C[N+](C)(C)CC(=O)NN SBB058026 [0,2,0,0,0,0|2,0,0]=4 274 B8R0.34 C#CC(C)(C)NC(C)=O SBB001903 [0,2,0,0,0,0|2,0,0]=4 275 B8R0.34 C#CC(C)(O)CC(C)C SBB002131 [0,2,0,0,0,0|1,0,1]=4 276 B8R0.34 CC(C)CC(C)(C)CO SBB061316 [0,2,0,0,0,0|1,0,1]=4 277 B8R0.34 CCC(C)(C)NC(C)=O SBB056853 [0,2,0,0,0,0|2,0,0]=4 278 B8R0.34 CCC(C)(C)OC(C)=O SBB060028 [0,2,0,0,0,0|2,0,0]=4 279 B8R0.27 CC(C)(C)C(=O)C(=O)O SBB065803 [0,2,0,0,0,0|0,0,1]=3 280 B8R0.27 CC(C)(C)[C@H](N)C(=O)O SBB006594 [0,2,0,0,0,0|0,0,0]=2 281 B8R0.27 CC(C)(F)C(N)C(=O)O SBB028246 [0,2,0,0,0,0|0,0,0]=2 282 B8R0.27 CC(C)(S)[C@H](N)C(=O)O SBB000102 [0,2,0,0,0,0|0,0,0]=2 283 B8R0.27 O=C(O)C(O)C(F)(F)F SBB051075 [0,2,0,0,0,0|2,0,0]=4 284 B8R0.18 CNC(C(C)=O)C(C)C SBB002847 [0,2,0,0,0,0|1,0,0]=3 285 B8R0.37 O=C(O)C(F)(F)C(F)F SBB086451 [0,2,0,0,0,0|2,0,0]=4 286 B6R1.2 O=C1C=CCO1 SBB040281 [1,0,0,1,0,0|0,0,2]=4 287 B6R1.2 O=C1CCCC1 SBB040835 [1,0,0,1,0,0|1,0,0]=3 288 B6R1.2 O=C1CCCN1 SBB060296 [1,0,0,1,0,0|1,0,0]=3 289 B6R1.2 O=C1CCNN1 SBB007977 [1,0,0,1,0,0|2,0,0]=4 290 B6R1.2 O=C1CCSC1 SBB007947 [1,0,0,1,0,0|2,0,0]=4 291 B6R1.2 OC1=NNCC1 SBB047550 [1,0,0,1,0,0|2,0,0]=4 292 B6R1.2 O[C@H]1CCOC1 SBB062959 [1,0,0,1,0,0|1,0,1]=4 293 B6R1.11 CC(=O)C1CC1 SBB040825 [1,0,0,1,0,0|1,0,0]=3 294 B6R1.11 N=C(N)C1CC1 SBB028203 [1,0,0,1,0,0|2,0,0]=4 295 B6R1.11 NC(=O)C1CC1 SBB008326 [1,0,0,1,0,0|1,0,0]=3 296 B6R1.11 NC(=S)C1CC1 SBB024106 [1,0,0,1,0,0|1,1,0]=4 297 B6R1.11 O=C(Cl)C1CC1 SBB061720 [1,0,0,1,0,0|1,0,0]=3 298 B6R1.11 O=C(O)C1CC1 SBB008028 [1,0,0,1,0,0|0,0,0]=2 299 B8R1.3 CC1CCC(O)CC1 SBB060479 [0,0,0,1,0,1|1,0,1]=4 300 B8R1.3 CN1CCC(=O)CC1 SBB080527 [0,0,0,1,0,1|2,0,0]=4 301 B8R1.3 O=C1CCC(O)CC1 SBB056283 [0,0,0,1,0,1|2,0,0]=4 302 B8R1.23 C=C1CC(C(=O)O)C1 SBB053430 [0,0,0,1,0,1|0,0,2]=4 303 B8R1.23 O=C1CC(C(=O)O)C1 SBB053464 [0,0,0,1,0,1|1,0,1]=4 304 B8R1.77 CC1(C)CC1C(=O)O SBB053459 [0,0,0,1,0,1|0,0,0]=2 305 B8R1.77 CC1(C)CC1C(N)=O SBB056262 [0,0,0,1,0,1|1,0,0]=3 306 B8R1.1 CCC1COC(=O)O1 SBB008625 [0,1,0,1,0,0|1,0,0]=3 307 B8R1.1 O=C1CCC(CCl)O1 SBB074378 [0,1,0,1,0,0|2,0,0]=4 308 B8R1.1 O=C1NCC(CBr)S1 SBB019210 [0,1,0,1,0,0|2,0,0]=4 309 B8R1.1 OC[C@@H]1CCC(=O)N1 SBB004302 [0,1,0,1,0,0|2,0,0]=4 310 B8R1.4 CC1CCCC(O)C1 SBB061310 [0,1,0,1,0,0|1,0,1]=4 311 B8R1.18 CC1=C(C)OC(=O)O1 SBB017270 [0,1,0,1,0,0|1,0,1]=4 312 B8R1.34 O=C(O)CC1CCC1 SBB050298 [0,1,0,1,0,0|0,0,0]=2 313 B8R1.40 O=C(CCl)NC1CC1 SBB016595 [0,1,0,1,0,0|2,0,0]=4 314 B8R1.50 O=C1COC(=O)C1Cl SBB059534 [0,1,0,1,0,0|1,0,1]=4 315 B8R0.28 CC(=O)NCCC(=O)O SBB065847 [0,0,0,0,0,2|1,0,1]=4 316 B8R0.28 CC(=O)OCCC(C)C SBB040873 [0,0,0,0,0,2|1,0,0]=3 317 B8R0.28 CC(C)CCCC(=O)O SBB072713 [0,0,0,0,0,2|0,0,0]=2 318 B8R0.28 CC(C)COCC(C)O SBB061009 [0,0,0,0,0,2|1,0,1]=4 319 B8R0.28 OC(=O)CCCN(C)C SBB005767 [0,0,0,0,0,2|1,0,0]=3 320 B8R0.28 [NH+](C)(C)CCCC(=O)O SBB058463 [0,0,0,0,0,2|1,0,0]=3