0 B6R0.3 CC(=O)\C(C)=N/O SBB061682 [0,0,0,0,0,0|3,0,1]=4 1 B6R0.3 CC(CN)C(=O)O SBB061656 [0,0,0,0,0,0|1,0,0]=1 2 B6R0.3 CC(CN)N(C)C SBB043927 [0,0,0,0,0,0|4,0,0]=4 3 B6R0.3 CC(CO)[N+](=O)[O-] SBB108844 [0,0,0,0,0,0|2,0,1]=3 4 B6R0.3 CCC(=O)C(C)=O SBB061626 [0,0,0,0,0,0|2,0,1]=3 5 B6R0.3 CCC(Br)C(=O)O SBB040791 [0,0,0,0,0,0|1,0,0]=1 6 B6R0.3 CCC(C)C(C)C SBB061452 [0,0,0,0,0,0|2,0,1]=3 7 B6R0.3 CCC(N)C(N)=O SBB017505 [0,0,0,0,0,0|2,0,0]=2 8 B6R0.3 CCN(C)C(=N)N SBB056493 [0,0,0,0,0,0|3,0,0]=3 9 B6R0.3 CC[C@H](N)C(=O)O SBB053588 [0,0,0,0,0,0|1,0,0]=1 10 B6R0.3 CN[C@@H](C)C(=O)O SBB069105 [0,0,0,0,0,0|1,0,0]=1 11 B6R0.3 CN[C@@H](C)C(=O)O SBB069106 [0,0,0,0,0,0|1,0,0]=1 12 B6R0.3 C\C=C(\C)C(=O)O SBB071598 [0,0,0,0,0,0|0,0,2]=2 13 B6R0.3 N#CC(N)C(N)=O SBB001501 [0,0,0,0,0,0|3,0,1]=4 14 B6R0.3 NC(=O)C(N)CO SBB004161 [0,0,0,0,0,0|3,0,0]=3 15 B6R0.3 NC(CO)C(=O)O SBB061655 [0,0,0,0,0,0|2,0,0]=2 16 B6R0.3 NCC(N)C(=O)O SBB060844 [0,0,0,0,0,0|2,0,0]=2 17 B6R0.3 NC[C@H](O)C(=O)O SBB062829 [0,0,0,0,0,0|2,0,0]=2 18 B6R0.3 O=C(O)C(=O)CBr SBB053571 [0,0,0,0,0,0|2,0,1]=3 19 B6R0.3 O=C(O)C(=O)CBr SBB053584 [0,0,0,0,0,0|2,0,1]=3 20 B6R0.3 O=C(O)C(Br)CBr SBB068302 [0,0,0,0,0,0|2,0,0]=2 21 B6R0.3 O=C(O)C(O)CCl SBB072606 [0,0,0,0,0,0|2,0,0]=2 22 B6R0.3 OC(=O)[C@@H](CN)N SBB005812 [0,0,0,0,0,0|2,0,0]=2 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 CCCC(=O)Cl SBB040624 [1,0,0,0,0,0|1,0,0]=2 26 B5R0.1 CCOC(=O)Cl SBB040861 [1,0,0,0,0,0|2,0,0]=3 27 B5R0.1 COCC(=O)O SBB061376 [1,0,0,0,0,0|1,0,0]=2 28 B5R0.1 CS(=O)CCN SBB050811 [1,0,0,0,0,0|3,0,0]=4 29 B5R0.1 CSCC(=O)O SBB053570 [1,0,0,0,0,0|1,0,0]=2 30 B5R0.1 N#CCC(N)=O SBB007540 [1,0,0,0,0,0|2,0,1]=4 31 B5R0.1 O=C(O)CCBr SBB065770 [1,0,0,0,0,0|1,0,0]=2 32 B5R0.1 O=C(O)CCCl SBB069140 [1,0,0,0,0,0|1,0,0]=2 33 B5R0.3 C=CC(Cl)CCl SBB060215 [1,0,0,0,0,0|3,0,0]=4 34 B5R0.3 C=CC(O)CBr SBB007652 [1,0,0,0,0,0|3,0,0]=4 35 B5R0.3 CCC(C)CBr SBB007669 [1,0,0,0,0,0|1,0,1]=3 36 B5R0.3 CCC(Cl)CCl SBB060453 [1,0,0,0,0,0|2,0,1]=4 37 B5R0.3 CCC(N)CC SBB000050 [1,0,0,0,0,0|2,0,1]=4 38 B5R0.3 CCC(N)CC SBB071911 [1,0,0,0,0,0|2,0,1]=4 39 B5R0.3 CC\C(N)=N\O SBB024198 [1,0,0,0,0,0|2,0,1]=4 40 B5R0.3 O=CC(Br)C=O SBB069441 [1,0,0,0,0,0|2,0,1]=4 41 B5R0.3 OCC(O)CCl SBB060480 [1,0,0,0,0,0|2,0,1]=4 42 B5R0.5 CC(=O)C(C)Cl SBB060958 [1,0,0,0,0,0|2,0,0]=3 43 B5R0.5 CC(=O)C(F)F SBB021370 [1,0,0,0,0,0|3,0,0]=4 44 B5R0.5 CC(=S)N(C)C SBB007924 [1,0,0,0,0,0|2,1,0]=4 45 B5R0.5 CC(Br)C(=O)O SBB060286 [1,0,0,0,0,0|1,0,0]=2 46 B5R0.5 CC(C)C(=N)N SBB056456 [1,0,0,0,0,0|2,0,0]=3 47 B5R0.5 CC(C)C(=O)Cl SBB060269 [1,0,0,0,0,0|1,0,0]=2 48 B5R0.5 CC(O)C(=O)O SBB065762 [1,0,0,0,0,0|1,0,0]=2 49 B5R0.5 CN(C)C(=O)Cl SBB040876 [1,0,0,0,0,0|2,0,0]=3 50 B5R0.5 CN(C)C(=O)[O-] SBB059132 [1,0,0,0,0,0|1,0,1]=3 51 B5R0.5 CN(C)C(=S)Cl SBB085540 [1,0,0,0,0,0|2,1,0]=4 52 B5R0.5 [NH2+]=C(N)N(C)C SBB059825 [1,0,0,0,0,0|3,0,0]=4 53 B7R0.5 CC(CCN)N(C)C SBB046536 [0,1,0,0,0,0|3,0,0]=4 54 B7R0.5 CC(CCO)N(C)C SBB046554 [0,1,0,0,0,0|3,0,0]=4 55 B7R0.5 CC(NC=O)C(=O)O SBB047145 [0,1,0,0,0,0|1,0,1]=3 56 B7R0.5 CCCC(Br)C(=O)O SBB065976 [0,1,0,0,0,0|1,0,0]=2 57 B7R0.5 CCCC(C)C(=O)O SBB065915 [0,1,0,0,0,0|0,0,0]=1 58 B7R0.5 CCCC(C)C(C)O SBB061491 [0,1,0,0,0,0|1,0,1]=3 59 B7R0.5 CCC[C@@H](N)C(=O)O SBB065919 [0,1,0,0,0,0|1,0,0]=2 60 B7R0.5 CC\C=C(/C)C(=O)O SBB069108 [0,1,0,0,0,0|0,0,1]=2 61 B7R0.5 CSC[C@H](N)C(=O)O SBB066379 [0,1,0,0,0,0|1,0,0]=2 62 B7R0.5 NC(CCO)C(=O)O SBB065734 [0,1,0,0,0,0|1,0,0]=2 63 B7R0.5 NC(CCS)C(=O)O SBB065757 [0,1,0,0,0,0|1,0,0]=2 64 B7R0.5 NCCC(N)C(=O)O SBB053580 [0,1,0,0,0,0|1,0,0]=2 65 B7R0.5 NCCC(N)C(=O)O SBB066000 [0,1,0,0,0,0|1,0,0]=2 66 B7R0.5 NCCC(O)C(=O)O SBB066010 [0,1,0,0,0,0|1,0,0]=2 67 B7R0.5 NCC[C@H](N)C(=O)O SBB003640 [0,1,0,0,0,0|1,0,0]=2 68 B7R0.5 OC(=O)[C@H](CC=C)N SBB006743 [0,1,0,0,0,0|1,0,1]=3 69 B7R0.10 CCC(Br)C(=O)OC SBB070737 [0,1,0,0,0,0|1,0,0]=2 70 B7R0.10 COC(=O)C(=O)OC SBB040902 [0,1,0,0,0,0|2,0,1]=4 71 B7R0.10 COC(=O)C(Cl)C=O SBB072103 [0,1,0,0,0,0|2,0,1]=4 72 B7R0.10 COC(=O)C(N)CO SBB004026 [0,1,0,0,0,0|2,0,0]=3 73 B7R0.10 COC(=O)C(N)CS SBB054105 [0,1,0,0,0,0|2,0,0]=3 74 B7R0.10 COC(C)C(=O)NN SBB080152 [0,1,0,0,0,0|2,0,0]=3 75 B7R0.10 OC[C@H]([C@@H](C)CC)N SBB027248 [0,1,0,0,0,0|1,0,1]=3 76 B7R0.13 CC(Br)(CBr)C(=O)O SBB069110 [0,1,0,0,0,0|1,0,0]=2 77 B7R0.13 CC(C)(CO)C(=O)O SBB053589 [0,1,0,0,0,0|1,0,0]=2 78 B7R0.13 CC(Cl)(CCl)C(=O)O SBB060998 [0,1,0,0,0,0|1,0,0]=2 79 B7R0.13 CCC(C)(C)C(=O)O SBB065772 [0,1,0,0,0,0|0,0,0]=1 80 B7R0.15 CCC(CC)C(=O)O SBB061341 [0,1,0,0,0,0|0,0,0]=1 81 B7R0.15 CCC(OC)C(N)=O SBB116762 [0,1,0,0,0,0|1,0,0]=2 82 B7R0.15 CCN(CC)C(=N)N SBB056509 [0,1,0,0,0,0|3,0,0]=4 83 B7R0.15 CCN(CC)C(=O)Cl SBB061734 [0,1,0,0,0,0|2,0,0]=3 84 B7R0.15 CCN(CC)C(=S)Cl SBB086805 [0,1,0,0,0,0|2,1,0]=4 85 B7R0.15 CNC(CS)C(=O)O SBB053575 [0,1,0,0,0,0|1,0,0]=2 86 B7R0.15 COC(OC)C(C)=O SBB060142 [0,1,0,0,0,0|2,0,0]=3 87 B7R0.15 O=C(O)C(CBr)CBr SBB069082 [0,1,0,0,0,0|1,0,0]=2 88 B7R0.16 CC(=O)C(Cl)C(C)=O SBB058797 [0,1,0,0,0,0|2,0,1]=4 89 B7R0.16 CC(=O)N(C)C(C)=O SBB007865 [0,1,0,0,0,0|2,0,1]=4 90 B7R0.16 CC(C(=O)O)N(C)C SBB046579 [0,1,0,0,0,0|1,0,0]=2 91 B7R0.16 CC(C)C(N)C(N)=O SBB017492 [0,1,0,0,0,0|2,0,0]=3 92 B7R0.16 CC(C)[C@@H](N)C(=O)O SBB006709 [0,1,0,0,0,0|1,0,0]=2 93 B7R0.16 CC(C)[C@@H](O)C(=O)O SBB053572 [0,1,0,0,0,0|1,0,0]=2 94 B7R0.16 CC(C)[C@H](Br)C(=O)O SBB065818 [0,1,0,0,0,0|1,0,0]=2 95 B7R0.16 CC(C)[C@H](N)C(N)=O SBB056426 [0,1,0,0,0,0|2,0,0]=3 96 B7R0.16 CC(O)C(N)C(=O)O SBB061654 [0,1,0,0,0,0|1,0,0]=2 97 B7R1.4 CN1CCCC1=O SBB060297 [0,0,0,1,0,0|2,0,0]=3 98 B7R1.4 NC1CCOC1=O SBB004366 [0,0,0,1,0,0|1,0,0]=2 99 B7R1.4 NC1CCOC1=O SBB057192 [0,0,0,1,0,0|1,0,0]=2 100 B7R1.4 NC1CCSC1=O SBB004035 [0,0,0,1,0,0|1,1,0]=3 101 B7R1.4 N[C@H]1CONC1=O SBB006706 [0,0,0,1,0,0|3,0,0]=4 102 B7R1.4 O=C1OCCC1Br SBB083094 [0,0,0,1,0,0|1,0,0]=2 103 B7R1.4 OC1CCCC1Cl SBB060196 [0,0,0,1,0,0|2,0,1]=4 104 B7R1.4 O[C@H]1CCC[C@H]1O SBB008502 [0,0,0,1,0,0|2,0,1]=4 105 B7R1.12 C[C@H]1C[C@H]1C(=O)O SBB069055 [0,0,0,1,0,0|0,0,0]=1 106 B7R1.18 NC(=O)C1CCC1 SBB111823 [0,0,0,1,0,0|1,0,0]=2 107 B7R1.18 O=C(Cl)C1CCC1 SBB007882 [0,0,0,1,0,0|1,0,0]=2 108 B7R1.18 O=C(O)C1CCC1 SBB053465 [0,0,0,1,0,0|0,0,0]=1 109 B7R1.18 O=C(O)C1CCN1 SBB053470 [0,0,0,1,0,0|1,0,0]=2 110 B7R1.18 O=C(O)C1CNC1 SBB027353 [0,0,0,1,0,0|1,0,0]=2 111 B7R1.18 O=C(O)[C@@H]1CCN1 SBB004365 [0,0,0,1,0,0|1,0,0]=2 112 B7R1.19 CC1(C(=O)Cl)CC1 SBB053677 [0,0,0,1,0,0|1,0,0]=2 113 B7R1.19 CC1(C(=O)O)CC1 SBB053429 [0,0,0,1,0,0|0,0,0]=1 114 B7R1.19 NC1(C(=O)O)CC1 SBB059531 [0,0,0,1,0,0|1,0,0]=2 115 B7R1.19 NC1(C(=O)O)CC1 SBB065741 [0,0,0,1,0,0|1,0,0]=2 116 B7R0.2 CCC(C)CC(=O)O SBB008180 [0,0,0,0,0,1|0,0,0]=1 117 B7R0.2 CCC(C)NC(N)=O SBB008605 [0,0,0,0,0,1|1,0,0]=2 118 B7R0.2 NC[C@@H](O)CC(=O)O SBB065945 [0,0,0,0,0,1|2,0,0]=3 119 B4R0.1 CC(Br)CBr SBB060202 [2,0,0,0,0,0|2,0,0]=4 120 B4R0.1 CC(Br)CCl SBB061477 [2,0,0,0,0,0|2,0,0]=4 121 B4R0.1 CC(C)CBr SBB059932 [2,0,0,0,0,0|1,0,1]=4 122 B4R0.1 CC(C)NN SBB002129 [2,0,0,0,0,0|2,0,0]=4 123 B4R0.1 CC(Cl)CCl SBB059979 [2,0,0,0,0,0|2,0,0]=4 124 B4R0.1 CCC(C)Br SBB059931 [2,0,0,0,0,0|1,0,0]=3 125 B4R0.1 CCN(C)N SBB107453 [2,0,0,0,0,0|2,0,0]=4 126 B4R0.1 NCC(=O)O SBB071447 [2,0,0,0,0,0|1,0,0]=3 127 B4R0.1 NCC(=O)[O-] SBB116671 [2,0,0,0,0,0|1,0,1]=4 128 B4R0.1 O=C(Br)CBr SBB040828 [2,0,0,0,0,0|2,0,0]=4 129 B4R0.1 O=C(Cl)CBr SBB051682 [2,0,0,0,0,0|2,0,0]=4 130 B4R0.1 O=C(Cl)CCl SBB040859 [2,0,0,0,0,0|2,0,0]=4 131 B4R0.1 O=C(O)CBr SBB053569 [2,0,0,0,0,0|1,0,0]=3 132 B4R0.2 CCCCBr SBB059930 [2,0,0,0,0,0|1,0,1]=4 133 B4R0.2 C\C=C\CC SBB059879 [2,0,0,0,0,0|1,0,1]=4 134 B4R0.2 OCCCBr SBB054750 [2,0,0,0,0,0|1,0,1]=4 135 B6R0.1 C#CC(=O)OCC SBB060344 [1,1,0,0,0,0|2,0,0]=4 136 B6R0.1 C#CC(O)CCC SBB067434 [1,1,0,0,0,0|1,0,1]=4 137 B6R0.1 C=CC(=O)OCC SBB060348 [1,1,0,0,0,0|2,0,0]=4 138 B6R0.1 CCCC(=O)CC SBB061496 [1,1,0,0,0,0|1,0,0]=3 139 B6R0.1 CCCC(=O)NN SBB028175 [1,1,0,0,0,0|1,0,0]=3 140 B6R0.1 CCCC(=O)OC SBB061104 [1,1,0,0,0,0|0,0,0]=2 141 B6R0.1 CCCC(C)CO SBB061282 [1,1,0,0,0,0|1,0,1]=4 142 B6R0.1 CCCC(O)CC SBB061363 [1,1,0,0,0,0|1,0,1]=4 143 B6R0.1 CCC\C(N)=N/O SBB028173 [1,1,0,0,0,0|1,0,0]=3 144 B6R0.1 CCNC(=O)CBr SBB051008 [1,1,0,0,0,0|2,0,0]=4 145 B6R0.1 CCNC(=O)CCl SBB008200 [1,1,0,0,0,0|2,0,0]=4 146 B6R0.1 CCOC(=O)CBr SBB060995 [1,1,0,0,0,0|2,0,0]=4 147 B6R0.1 CCOC(=O)CC SBB060312 [1,1,0,0,0,0|2,0,0]=4 148 B6R0.1 CCOC(=O)NN SBB028182 [1,1,0,0,0,0|2,0,0]=4 149 B6R0.1 COC(=O)CC#N SBB059483 [1,1,0,0,0,0|1,0,1]=4 150 B6R0.1 COC(=O)CCBr SBB070709 [1,1,0,0,0,0|1,0,0]=3 151 B6R0.1 COC(=O)CCN SBB071679 [1,1,0,0,0,0|1,0,0]=3 152 B6R0.1 COCC(=O)NN SBB021113 [1,1,0,0,0,0|2,0,0]=4 153 B6R0.1 C\C=C\C(=O)OC SBB061218 [1,1,0,0,0,0|0,0,2]=4 154 B6R0.1 [NH3+]CC(=O)OCC SBB056599 [1,1,0,0,0,0|2,0,0]=4 155 B6R0.2 CC(=O)CC(C)=O SBB009914 [1,1,0,0,0,0|1,0,1]=4 156 B6R0.2 CC(=O)CC(C)C SBB060384 [1,1,0,0,0,0|1,0,0]=3 157 B6R0.2 CC(=O)CC(N)=O SBB061675 [1,1,0,0,0,0|1,0,1]=4 158 B6R0.2 CC(C)=CC(=O)O SBB065769 [1,1,0,0,0,0|0,0,2]=4 159 B6R0.2 CC(C)CB(O)O SBB062832 [1,1,0,0,0,0|1,0,1]=4 160 B6R0.2 CC(C)CC(=O)Cl SBB040623 [1,1,0,0,0,0|1,0,0]=3 161 B6R0.2 CC(C)CC(C)O SBB061337 [1,1,0,0,0,0|1,0,1]=4 162 B6R0.2 CC(C)CC(N)=O SBB028167 [1,1,0,0,0,0|1,0,0]=3 163 B6R0.2 CC(O)CC(=O)O SBB065815 [1,1,0,0,0,0|0,0,0]=2 164 B6R0.2 CN(C)CC(=O)O SBB065779 [1,1,0,0,0,0|1,0,0]=3 165 B6R0.2 NC(=O)CC(=O)O SBB049982 [1,1,0,0,0,0|1,0,1]=4 166 B6R0.2 O=C(O)CC(=O)O SBB040552 [1,1,0,0,0,0|1,0,1]=4 167 B6R0.2 [NH+](C)(C)CC(=O)O SBB061663 [1,1,0,0,0,0|1,0,0]=3 168 B6R0.4 C#CCCC(=O)O SBB009121 [1,1,0,0,0,0|0,0,1]=3 169 B6R0.4 C=CCCC(=O)O SBB061214 [1,1,0,0,0,0|0,0,1]=3 170 B6R0.4 C=CCCC(C)=O SBB009089 [1,1,0,0,0,0|1,0,1]=4 171 B6R0.4 CC(=O)NCCCl SBB008165 [1,1,0,0,0,0|2,0,0]=4 172 B6R0.4 CC(=O)NCCN SBB028176 [1,1,0,0,0,0|2,0,0]=4 173 B6R0.4 CC(=O)NCCO SBB007954 [1,1,0,0,0,0|2,0,0]=4 174 B6R0.4 CC(=O)OCCCl SBB058505 [1,1,0,0,0,0|2,0,0]=4 175 B6R0.4 CCC#CC(C)=O SBB009086 [1,1,0,0,0,0|1,0,1]=4 176 B6R0.4 CCCCC(=O)O SBB053585 [1,1,0,0,0,0|0,0,0]=2 177 B6R0.4 CCCCC(C)=O SBB061262 [1,1,0,0,0,0|1,0,0]=3 178 B6R0.4 CCCCC(C)O SBB061290 [1,1,0,0,0,0|1,0,1]=4 179 B6R0.4 CCCCC(N)=O SBB028169 [1,1,0,0,0,0|1,0,0]=3 180 B6R0.4 CCCNC(N)=O SBB028174 [1,1,0,0,0,0|1,0,0]=3 181 B6R0.4 CCCOC(C)=O SBB060305 [1,1,0,0,0,0|1,0,0]=3 182 B6R0.4 CCCOC(N)=O SBB000036 [1,1,0,0,0,0|1,0,0]=3 183 B6R0.4 CCOCC(=O)O SBB069120 [1,1,0,0,0,0|0,0,0]=2 184 B6R0.4 CCOCC(C)O SBB061006 [1,1,0,0,0,0|1,0,1]=4 185 B6R0.4 CCSCC(=O)O SBB047288 [1,1,0,0,0,0|0,0,0]=2 186 B6R0.4 CC\C=C\C(=O)O SBB061994 [1,1,0,0,0,0|0,0,1]=3 187 B6R0.4 CNCCC(N)=O SBB080375 [1,1,0,0,0,0|1,0,0]=3 188 B6R0.4 NCCCC(=O)O SBB028179 [1,1,0,0,0,0|0,0,0]=2 189 B6R0.4 O=C(Cl)CCCCl SBB060894 [1,1,0,0,0,0|1,0,0]=3 190 B6R0.4 O=C(O)CCCBr SBB065986 [1,1,0,0,0,0|0,0,0]=2 191 B6R0.5 CCCS(=O)(=O)Cl SBB048026 [1,1,0,0,0,0|1,0,1]=4 192 B6R0.8 C#CC(C)(N)CC SBB001893 [1,1,0,0,0,0|1,0,1]=4 193 B6R0.8 C#CC(C)(O)CC SBB002148 [1,1,0,0,0,0|1,0,1]=4 194 B6R0.8 CC(C)(CN)CO SBB028181 [1,1,0,0,0,0|1,0,1]=4 195 B6R0.8 CC(C)(CO)CO SBB056814 [1,1,0,0,0,0|1,0,1]=4 196 B6R0.8 CCC(C)(O)CC SBB060948 [1,1,0,0,0,0|1,0,1]=4 197 B6R0.8 OCC(C)(CO)N SBB004360 [1,1,0,0,0,0|1,0,1]=4 198 B6R0.9 C=CC(CCl)OC SBB061093 [1,1,0,0,0,0|2,0,0]=4 199 B6R0.9 CC=C(CC)CC SBB059883 [1,1,0,0,0,0|1,0,1]=4 200 B6R0.9 CCC(C=O)CC SBB059875 [1,1,0,0,0,0|0,0,0]=2 201 B6R0.9 CCC(CC)CBr SBB059935 [1,1,0,0,0,0|1,0,1]=4 202 B6R0.9 CCC(CC)CN SBB028171 [1,1,0,0,0,0|1,0,1]=4 203 B6R0.9 CCC(CC)CO SBB059900 [1,1,0,0,0,0|0,0,1]=3 204 B6R0.9 CCC(CN)OC SBB302370 [1,1,0,0,0,0|1,0,1]=4 205 B6R0.9 CCN(C=O)CC SBB056822 [1,1,0,0,0,0|1,0,0]=3 206 B6R0.7 CC(=O)C(C)(C)C SBB060385 [1,1,0,0,0,0|1,0,0]=3 207 B6R0.7 CC(=O)C(C)(C)Cl SBB008903 [1,1,0,0,0,0|1,0,0]=3 208 B6R0.7 CC(=O)C(C)(C)N SBB013635 [1,1,0,0,0,0|1,0,0]=3 209 B6R0.7 CC(C)(Br)C(=O)O SBB065985 [1,1,0,0,0,0|0,0,0]=2 210 B6R0.7 CC(C)(C)C(=N)N SBB072322 [1,1,0,0,0,0|2,0,0]=4 211 B6R0.7 CC(C)(C)C(=O)Cl SBB060922 [1,1,0,0,0,0|1,0,0]=3 212 B6R0.7 CC(C)(C)C(N)=O SBB028170 [1,1,0,0,0,0|1,0,0]=3 213 B6R0.7 CC(C)(C)[S@](N)=O SBB056498 [1,1,0,0,0,0|2,0,0]=4 214 B6R0.7 CC(C)(N)C(=O)O SBB028178 [1,1,0,0,0,0|0,0,0]=2 215 B6R0.7 CC(C)(O)C(=O)O SBB065771 [1,1,0,0,0,0|0,0,0]=2 216 B6R0.7 O=C(O)C(Br)(Br)Br SBB065991 [1,1,0,0,0,0|2,0,0]=4 217 B8R0.2 CCC(C)C(Br)C(=O)O SBB069132 [0,1,0,0,0,1|0,0,0]=2 218 B8R0.2 [C@H](C)(CC)[C@H](N)C(=O)O SBB037854 [0,1,0,0,0,1|0,0,0]=2 219 B8R0.2 [NH3+][C@H](C(=O)[O-])[C@H](C)OC SBB069865 [0,1,0,0,0,1|1,0,1]=4 220 B8R0.5 CCCC(C)CC(=O)O SBB061321 [0,1,0,0,0,1|0,0,0]=2 221 B8R0.5 CCOC(=O)CC(=O)O SBB066094 [0,1,0,0,0,1|1,0,1]=4 222 B8R0.16 CCN(CC)CC(=O)O SBB010260 [0,1,0,0,0,1|1,0,0]=3 223 B8R0.19 CCC(=O)OC(C)CC SBB061103 [0,1,0,0,0,1|1,0,0]=3 224 B8R0.19 CN\C(C)=C/C(=O)OC SBB037868 [0,1,0,0,0,1|1,0,1]=4 225 B8R0.23 CC(CC(=O)O)C(=O)O SBB061436 [0,1,0,0,0,1|1,0,1]=4 226 B8R0.34 CCC(C)(C)NC(C)=O SBB056853 [0,1,0,0,0,1|1,0,0]=3 227 B8R0.34 CCC(C)(C)OC(C)=O SBB060028 [0,1,0,0,0,1|1,0,0]=3 228 B8R0.3 C#CC(O)C(C)CCC SBB009074 [0,2,0,0,0,0|1,0,1]=4 229 B8R0.3 CCOC(=O)C(=O)CC SBB108891 [0,2,0,0,0,0|1,0,1]=4 230 B8R0.3 CCOC(=O)C(Br)CC SBB070758 [0,2,0,0,0,0|1,0,0]=3 231 B8R0.3 CCOC(=O)C(N)CC SBB072718 [0,2,0,0,0,0|1,0,0]=3 232 B8R0.3 CCOC(=O)[C@@H](N)CS SBB065777 [0,2,0,0,0,0|2,0,0]=4 233 B8R0.3 CCOC(C)C(=O)NN SBB080048 [0,2,0,0,0,0|1,0,0]=3 234 B8R0.3 COC(=O)C(C)CCCl SBB054131 [0,2,0,0,0,0|0,0,0]=2 235 B8R0.3 COC(=O)[C@@H](N)CSC SBB080950 [0,2,0,0,0,0|1,0,0]=3 236 B8R0.8 CC(=O)N(C)CCC#N SBB001628 [0,2,0,0,0,0|2,0,0]=4 237 B8R0.8 CCCCC(Br)C(=O)O SBB069524 [0,2,0,0,0,0|1,0,0]=3 238 B8R0.8 CCCCC(C)C(=O)O SBB072714 [0,2,0,0,0,0|0,0,0]=2 239 B8R0.8 CCCCC(N)C(C)=O SBB014561 [0,2,0,0,0,0|2,0,0]=4 240 B8R0.8 CCCC[C@H](N)C(=O)O SBB065920 [0,2,0,0,0,0|1,0,0]=3 241 B8R0.8 NCCCC(N)C(=O)O SBB047988 [0,2,0,0,0,0|1,0,0]=3 242 B8R0.8 OC(=O)C(C)CCCCl SBB004068 [0,2,0,0,0,0|0,0,0]=2 243 B8R0.8 OC(=O)[C@@H](CCSC)N SBB006710 [0,2,0,0,0,0|1,0,0]=3 244 B8R0.8 [NH3+]CCCC(N)C(=O)O SBB061681 [0,2,0,0,0,0|1,0,0]=3 245 B8R0.12 C=CCC(C)(C)C(=O)O SBB053609 [0,2,0,0,0,0|0,0,1]=3 246 B8R0.12 C=CCC(F)(F)C(=O)O SBB085914 [0,2,0,0,0,0|1,0,1]=4 247 B8R0.12 CCCC(C)(C)C(=O)O SBB007765 [0,2,0,0,0,0|0,0,0]=2 248 B8R0.15 CCOC(CC)C(N)=O SBB116764 [0,2,0,0,0,0|1,0,0]=3 249 B8R0.13 COC(=O)C(C)(Br)CBr SBB080573 [0,2,0,0,0,0|1,0,0]=3 250 B8R0.20 C=CC(=O)N(CC)CC SBB051446 [0,2,0,0,0,0|2,0,0]=4 251 B8R0.20 CCC(OC)C(=O)NN SBB080166 [0,2,0,0,0,0|1,0,0]=3 252 B8R0.20 CCN(CC)C(=O)CCl SBB038655 [0,2,0,0,0,0|2,0,0]=4 253 B8R0.36 CC(CO)(CO)C(=O)O SBB065922 [0,2,0,0,0,0|1,0,0]=3 254 B8R0.36 COC(C)(OC)C(C)=O SBB056465 [0,2,0,0,0,0|2,0,0]=4 255 B8R0.37 O=C(O)C(F)(F)C(F)F SBB086451 [0,2,0,0,0,0|2,0,0]=4 256 B8R0.27 CC(C)(C)C(=O)C(=O)O SBB065803 [0,2,0,0,0,0|1,0,1]=4 257 B8R0.27 CC(C)(C)[C@H](N)C(=O)O SBB006594 [0,2,0,0,0,0|1,0,0]=3 258 B8R0.27 CC(C)(F)C(N)C(=O)O SBB028246 [0,2,0,0,0,0|1,0,0]=3 259 B8R0.27 CC(C)(S)[C@H](N)C(=O)O SBB000102 [0,2,0,0,0,0|1,0,0]=3 260 B8R0.27 O=C(O)C(O)C(F)(F)F SBB051075 [0,2,0,0,0,0|2,0,0]=4 261 B8R0.18 CNC(C(C)=O)C(C)C SBB002847 [0,2,0,0,0,0|1,0,0]=3 262 B6R1.2 O=C1C=CCO1 SBB040281 [1,0,0,1,0,0|0,0,2]=4 263 B6R1.2 O=C1CCCC1 SBB040835 [1,0,0,1,0,0|1,0,0]=3 264 B6R1.2 O=C1CCCN1 SBB060296 [1,0,0,1,0,0|1,0,0]=3 265 B6R1.2 O=C1CCNN1 SBB007977 [1,0,0,1,0,0|2,0,0]=4 266 B6R1.2 O=C1CCSC1 SBB007947 [1,0,0,1,0,0|2,0,0]=4 267 B6R1.2 OC1=NNCC1 SBB047550 [1,0,0,1,0,0|2,0,0]=4 268 B6R1.11 CC(=O)C1CC1 SBB040825 [1,0,0,1,0,0|1,0,0]=3 269 B6R1.11 N=C(N)C1CC1 SBB028203 [1,0,0,1,0,0|2,0,0]=4 270 B6R1.11 NC(=O)C1CC1 SBB008326 [1,0,0,1,0,0|1,0,0]=3 271 B6R1.11 NC(=S)C1CC1 SBB024106 [1,0,0,1,0,0|1,1,0]=4 272 B6R1.11 O=C(Cl)C1CC1 SBB061720 [1,0,0,1,0,0|1,0,0]=3 273 B6R1.11 O=C(O)C1CC1 SBB008028 [1,0,0,1,0,0|0,0,0]=2 274 B6R1.6 BrCC1CCC1 SBB054975 [1,0,0,1,0,0|1,0,1]=4 275 B6R1.6 NCC1CCC1 SBB108847 [1,0,0,1,0,0|1,0,1]=4 276 B6R1.7 CC1(CCl)CO1 SBB054966 [1,0,0,1,0,0|1,0,1]=4 277 B6R1.7 CC1(CO)CC1 SBB084505 [1,0,0,1,0,0|0,0,1]=3 278 B8R1.1 CCC1COC(=O)O1 SBB008625 [0,0,0,1,0,1|0,0,0]=2 279 B8R1.1 O=C1CCC(CCl)O1 SBB074378 [0,0,0,1,0,1|2,0,0]=4 280 B8R1.1 O=C1NCC(CBr)S1 SBB019210 [0,0,0,1,0,1|2,0,0]=4 281 B8R1.1 OC[C@@H]1CCC(=O)N1 SBB004302 [0,0,0,1,0,1|2,0,0]=4 282 B8R1.4 CC1=CC(=O)CCC1 SBB007736 [0,0,0,1,0,1|1,0,1]=4 283 B8R1.4 CC1CCCC(O)C1 SBB061310 [0,0,0,1,0,1|1,0,1]=4 284 B8R1.18 CC1=C(C)OC(=O)O1 SBB017270 [0,0,0,1,0,1|0,0,2]=4 285 B8R1.34 O=C(O)CC1CCC1 SBB050298 [0,0,0,1,0,1|0,0,0]=2 286 B8R1.5 CC1CCCCC1=O SBB058517 [0,1,0,1,0,0|1,0,0]=3 287 B8R1.5 CC1CNCCC1O SBB300760 [0,1,0,1,0,0|1,0,1]=4 288 B8R1.5 CC1NCCNC1=O SBB080100 [0,1,0,1,0,0|1,0,0]=3 289 B8R1.5 CC1SCCNC1=O SBB111924 [0,1,0,1,0,0|1,0,0]=3 290 B8R1.5 NC1CCCNC1=O SBB012739 [0,1,0,1,0,0|2,0,0]=4 291 B8R1.5 O=C1CCCCC1Cl SBB061548 [0,1,0,1,0,0|2,0,0]=4 292 B8R1.7 N=C(N)C1CCCC1 SBB056275 [0,1,0,1,0,0|2,0,0]=4 293 B8R1.7 NC(=O)C1CCCN1 SBB004067 [0,1,0,1,0,0|1,0,0]=3 294 B8R1.7 NC(=O)[C@@H]1CCCN1 SBB006531 [0,1,0,1,0,0|1,0,0]=3 295 B8R1.7 O=C(O)C1C=CCN1 SBB053088 [0,1,0,1,0,0|0,0,2]=4 296 B8R1.7 O=C(O)C1CC=CC1 SBB008010 [0,1,0,1,0,0|0,0,1]=3 297 B8R1.7 O=C(O)C1CCCC1 SBB065782 [0,1,0,1,0,0|0,0,0]=2 298 B8R1.7 O=C(O)C1CCCO1 SBB004298 [0,1,0,1,0,0|0,0,0]=2 299 B8R1.7 O=C(O)C1CCNC1 SBB053378 [0,1,0,1,0,0|0,0,0]=2 300 B8R1.7 O=C(O)C1CCNC1 SBB069272 [0,1,0,1,0,0|0,0,0]=2 301 B8R1.7 O=C(O)C1CCOC1 SBB053083 [0,1,0,1,0,0|0,0,0]=2 302 B8R1.7 O=C(O)[C@@H]1CSCN1 SBB015063 [0,1,0,1,0,0|1,0,0]=3 303 B8R1.7 O=C(O)[C@H]1CCCN1 SBB006712 [0,1,0,1,0,0|0,0,0]=2 304 B8R1.7 O=C(O)[C@H]1CCNC1 SBB065825 [0,1,0,1,0,0|0,0,0]=2 305 B8R1.7 OC(=O)C1SCCN1 SBB027340 [0,1,0,1,0,0|1,0,0]=3 306 B8R1.19 CC1(Br)CCOC1=O SBB057373 [0,1,0,1,0,0|0,0,0]=2 307 B8R1.23 C=C1CC(C(=O)O)C1 SBB053430 [0,1,0,1,0,0|0,0,1]=3 308 B8R1.23 O=C1CC(C(=O)O)C1 SBB053464 [0,1,0,1,0,0|0,0,1]=3 309 B8R1.78 NC1(C(=O)O)CCC1 SBB050243 [0,1,0,1,0,0|0,0,0]=2 310 B8R1.38 COC(=O)C1CCC1 SBB071501 [0,1,0,1,0,0|0,0,0]=2 311 B8R1.38 NNC(=O)C1CCC1 SBB046617 [0,1,0,1,0,0|1,0,0]=3 312 B8R1.39 COC(=O)C1(N)CC1 SBB069778 [0,1,0,1,0,0|1,0,0]=3 313 B8R1.50 CC1C(=O)CCC1=O SBB060744 [0,1,0,1,0,0|1,0,1]=4 314 B8R1.50 CN1CCN(C)C1=O SBB008346 [0,1,0,1,0,0|2,0,0]=4 315 B8R1.50 O=C1COC(=O)C1Cl SBB059534 [0,1,0,1,0,0|1,0,1]=4 316 B8R1.63 OC(=O)C1(C#N)CC1 SBB006670 [0,1,0,1,0,0|0,0,1]=3 317 B8R1.77 CC1(C)CC1C(=O)O SBB053459 [0,1,0,1,0,0|0,0,0]=2 318 B8R1.77 CC1(C)CC1C(N)=O SBB056262 [0,1,0,1,0,0|1,0,0]=3 319 B8R0.9 CCC(=O)CCC(=O)O SBB072628 [0,0,0,0,0,2|1,0,1]=4