0 B6R0.3 C=C(C)C(=O)OC SBB060556 [0,0,0,0,0,0|4,0,0]=4 1 B6R0.3 CC(=O)\C(C)=N/O SBB061682 [0,0,0,0,0,0|3,0,0]=3 2 B6R0.3 CC(CN)C(=O)O SBB061656 [0,0,0,0,0,0|2,0,1]=3 3 B6R0.3 CC(CO)[N+](=O)[O-] SBB108844 [0,0,0,0,0,0|2,0,2]=4 4 B6R0.3 CCC(=O)C(C)=O SBB061626 [0,0,0,0,0,0|2,0,0]=2 5 B6R0.3 CCC(Br)C(=O)O SBB040791 [0,0,0,0,0,0|2,0,1]=3 6 B6R0.3 CCC(N)C(N)=O SBB017505 [0,0,0,0,0,0|3,0,1]=4 7 B6R0.3 CC[C@H](N)C(=O)O SBB053588 [0,0,0,0,0,0|2,0,1]=3 8 B6R0.3 CN(C)C(=O)CCl SBB038711 [0,0,0,0,0,0|4,0,0]=4 9 B6R0.3 CN[C@@H](C)C(=O)O SBB069105 [0,0,0,0,0,0|3,0,1]=4 10 B6R0.3 CN[C@@H](C)C(=O)O SBB069106 [0,0,0,0,0,0|3,0,1]=4 11 B6R0.3 C\C=C(\C)C(=O)O SBB071598 [0,0,0,0,0,0|2,0,1]=3 12 B6R0.3 NC(=O)C(N)CO SBB004161 [0,0,0,0,0,0|2,0,1]=3 13 B6R0.3 NC(CO)C(=O)O SBB061655 [0,0,0,0,0,0|1,0,1]=2 14 B6R0.3 NCC(N)C(=O)O SBB060844 [0,0,0,0,0,0|2,0,1]=3 15 B6R0.3 NC[C@H](O)C(=O)O SBB062829 [0,0,0,0,0,0|1,0,2]=3 16 B6R0.3 NNC(=O)C(N)=O SBB111635 [0,0,0,0,0,0|3,0,0]=3 17 B6R0.3 O=C(O)C(=O)CBr SBB053571 [0,0,0,0,0,0|1,0,0]=1 18 B6R0.3 O=C(O)C(=O)CBr SBB053584 [0,0,0,0,0,0|1,0,0]=1 19 B6R0.3 O=C(O)C(Br)CBr SBB068302 [0,0,0,0,0,0|2,0,1]=3 20 B6R0.3 O=C(O)C(O)CCl SBB072606 [0,0,0,0,0,0|1,0,2]=3 21 B6R0.3 OC(=O)[C@@H](CN)N SBB005812 [0,0,0,0,0,0|2,0,1]=3 22 B5R0.1 C#CCC(=O)O SBB116169 [1,0,0,0,0,0|1,0,2]=4 23 B5R0.1 CC(C)=CCBr SBB061690 [1,0,0,0,0,0|3,0,0]=4 24 B5R0.1 CCCC(=O)Cl SBB040624 [1,0,0,0,0,0|2,0,1]=4 25 B5R0.1 CCOC(=O)Cl SBB040861 [1,0,0,0,0,0|3,0,0]=4 26 B5R0.1 COCC(=O)O SBB061376 [1,0,0,0,0,0|2,0,1]=4 27 B5R0.1 CSCC(=O)O SBB053570 [1,0,0,0,0,0|2,0,1]=4 28 B5R0.1 C\C(Cl)=C\CN SBB301293 [1,0,0,0,0,0|3,0,0]=4 29 B5R0.1 O=C(O)CCBr SBB065770 [1,0,0,0,0,0|1,0,1]=3 30 B5R0.1 O=C(O)CCCl SBB069140 [1,0,0,0,0,0|1,0,1]=3 31 B5R0.3 CCC(=O)NN SBB021112 [1,0,0,0,0,0|3,0,0]=4 32 B5R0.3 CC\C(N)=N\O SBB024198 [1,0,0,0,0,0|3,0,0]=4 33 B5R0.3 CNC(=O)CBr SBB080576 [1,0,0,0,0,0|3,0,0]=4 34 B5R0.3 CNC(=O)CCl SBB049936 [1,0,0,0,0,0|3,0,0]=4 35 B5R0.3 COC(=O)CBr SBB056823 [1,0,0,0,0,0|3,0,0]=4 36 B5R0.3 COC(=O)CCl SBB040686 [1,0,0,0,0,0|3,0,0]=4 37 B5R0.3 NNC(=O)CO SBB111858 [1,0,0,0,0,0|2,0,0]=3 38 B5R0.5 CC(=O)C(C)Cl SBB060958 [1,0,0,0,0,0|2,0,1]=4 39 B5R0.5 CC(=O)C(F)F SBB021370 [1,0,0,0,0,0|2,0,1]=4 40 B5R0.5 CC(Br)C(=O)O SBB060286 [1,0,0,0,0,0|1,0,1]=3 41 B5R0.5 CC(C)C(=O)Cl SBB060269 [1,0,0,0,0,0|2,0,1]=4 42 B5R0.5 CC(O)C(=O)O SBB065762 [1,0,0,0,0,0|0,0,2]=3 43 B5R0.5 CN(C)C(=O)Cl SBB040876 [1,0,0,0,0,0|3,0,0]=4 44 B5R0.5 CN(C)C(=O)[O-] SBB059132 [1,0,0,0,0,0|2,0,1]=4 45 B7R0.5 C=C(C)C(=O)OCC SBB061402 [0,1,0,0,0,0|3,0,0]=4 46 B7R0.5 CCCC(Br)C(=O)O SBB065976 [0,1,0,0,0,0|2,0,1]=4 47 B7R0.5 CCCC(C)C(=O)O SBB065915 [0,1,0,0,0,0|2,0,1]=4 48 B7R0.5 CCC[C@@H](N)C(=O)O SBB065919 [0,1,0,0,0,0|2,0,1]=4 49 B7R0.5 CCOC(=O)C(N)=S SBB056420 [0,1,0,0,0,0|2,1,0]=4 50 B7R0.5 CC\C=C(/C)C(=O)O SBB069108 [0,1,0,0,0,0|2,0,0]=3 51 B7R0.5 CSC[C@H](N)C(=O)O SBB066379 [0,1,0,0,0,0|1,1,1]=4 52 B7R0.5 NC(CCO)C(=O)O SBB065734 [0,1,0,0,0,0|1,0,1]=3 53 B7R0.5 NC(CCS)C(=O)O SBB065757 [0,1,0,0,0,0|1,1,1]=4 54 B7R0.5 NCCC(N)C(=O)O SBB053580 [0,1,0,0,0,0|2,0,1]=4 55 B7R0.5 NCCC(N)C(=O)O SBB066000 [0,1,0,0,0,0|2,0,1]=4 56 B7R0.5 NCCC(O)C(=O)O SBB066010 [0,1,0,0,0,0|1,0,2]=4 57 B7R0.5 NCC[C@H](N)C(=O)O SBB003640 [0,1,0,0,0,0|2,0,1]=4 58 B7R0.5 OC(=O)[C@H](CC=C)N SBB006743 [0,1,0,0,0,0|2,0,1]=4 59 B7R0.10 CC(=N\O)\C(C)=N\O SBB056851 [0,1,0,0,0,0|3,0,0]=4 60 B7R0.10 CCC(Br)C(=O)OC SBB070737 [0,1,0,0,0,0|2,0,1]=4 61 B7R0.10 CNC(=O)C(=O)NC SBB007883 [0,1,0,0,0,0|3,0,0]=4 62 B7R0.10 COC(=O)C(=O)OC SBB040902 [0,1,0,0,0,0|2,0,0]=3 63 B7R0.10 COC(=O)C(N)CO SBB004026 [0,1,0,0,0,0|1,0,1]=3 64 B7R0.10 COC(=O)C(N)CS SBB054105 [0,1,0,0,0,0|1,1,1]=4 65 B7R0.10 NNC(=O)C(=O)NN SBB007552 [0,1,0,0,0,0|3,0,0]=4 66 B7R0.10 OC\C(Br)=C(/Br)CO SBB085184 [0,1,0,0,0,0|2,0,0]=3 67 B7R0.13 CC(Br)(CBr)C(=O)O SBB069110 [0,1,0,0,0,0|2,0,1]=4 68 B7R0.13 CC(C)(CO)C(=O)O SBB053589 [0,1,0,0,0,0|1,0,1]=3 69 B7R0.13 CC(Cl)(CCl)C(=O)O SBB060998 [0,1,0,0,0,0|2,0,1]=4 70 B7R0.13 CCC(C)(C)C(=O)O SBB065772 [0,1,0,0,0,0|2,0,1]=4 71 B7R0.15 CCC(CC)C(=O)O SBB061341 [0,1,0,0,0,0|2,0,1]=4 72 B7R0.15 CNC(CS)C(=O)O SBB053575 [0,1,0,0,0,0|1,1,1]=4 73 B7R0.15 N#C\C(=N/O)C(N)=O SBB017291 [0,1,0,0,0,0|3,0,0]=4 74 B7R0.15 O=C(O)C(CBr)CBr SBB069082 [0,1,0,0,0,0|2,0,1]=4 75 B7R0.16 CC(C)[C@@H](N)C(=O)O SBB006709 [0,1,0,0,0,0|2,0,1]=4 76 B7R0.16 CC(C)[C@@H](O)C(=O)O SBB053572 [0,1,0,0,0,0|1,0,2]=4 77 B7R0.16 CC(C)[C@H](Br)C(=O)O SBB065818 [0,1,0,0,0,0|2,0,1]=4 78 B7R0.16 CC(O)C(N)C(=O)O SBB061654 [0,1,0,0,0,0|1,0,1]=3 79 B7R0.16 O=C(O)C(Cl)=C(Cl)Cl SBB089088 [0,1,0,0,0,0|2,0,1]=4 80 B7R1.4 NC1CCOC1=O SBB004366 [0,0,0,1,0,0|2,0,1]=4 81 B7R1.4 NC1CCOC1=O SBB057192 [0,0,0,1,0,0|2,0,1]=4 82 B7R1.4 N[C@H]1CONC1=O SBB006706 [0,0,0,1,0,0|2,0,1]=4 83 B7R1.4 O=C1OCCC1Br SBB083094 [0,0,0,1,0,0|2,0,1]=4 84 B7R1.12 C[C@H]1C[C@H]1C(=O)O SBB069055 [0,0,0,1,0,0|2,0,1]=4 85 B7R1.18 O=C(O)C1CCC1 SBB053465 [0,0,0,1,0,0|2,0,1]=4 86 B7R1.18 O=C(O)C1CCN1 SBB053470 [0,0,0,1,0,0|2,0,1]=4 87 B7R1.18 O=C(O)C1CNC1 SBB027353 [0,0,0,1,0,0|2,0,1]=4 88 B7R1.18 O=C(O)[C@@H]1CCN1 SBB004365 [0,0,0,1,0,0|2,0,1]=4 89 B7R1.19 CC1(C(=O)O)CC1 SBB053429 [0,0,0,1,0,0|2,0,1]=4 90 B7R1.19 NC1(C(=O)O)CC1 SBB059531 [0,0,0,1,0,0|2,0,1]=4 91 B7R1.19 NC1(C(=O)O)CC1 SBB065741 [0,0,0,1,0,0|2,0,1]=4 92 B7R0.2 CCC(C)CC(=O)O SBB008180 [0,0,0,0,0,1|2,0,1]=4 93 B7R0.2 COC(=O)CC(C)=O SBB060889 [0,0,0,0,0,1|3,0,0]=4 94 B7R0.2 NC[C@@H](O)CC(=O)O SBB065945 [0,0,0,0,0,1|1,0,2]=4 95 B4R0.1 C=C(Br)CBr SBB061691 [2,0,0,0,0,0|2,0,0]=4 96 B4R0.1 NCC(=O)O SBB071447 [2,0,0,0,0,0|1,0,0]=3 97 B4R0.1 NCC(=O)[O-] SBB116671 [2,0,0,0,0,0|1,0,1]=4 98 B4R0.1 O=C(Br)CBr SBB040828 [2,0,0,0,0,0|2,0,0]=4 99 B4R0.1 O=C(Cl)CBr SBB051682 [2,0,0,0,0,0|2,0,0]=4 100 B4R0.1 O=C(Cl)CCl SBB040859 [2,0,0,0,0,0|2,0,0]=4 101 B4R0.1 O=C(O)CBr SBB053569 [2,0,0,0,0,0|1,0,0]=3 102 B4R0.2 C\C=C\CC SBB059879 [2,0,0,0,0,0|2,0,0]=4 103 B4R0.2 Cl\C=C/CCl SBB061393 [2,0,0,0,0,0|2,0,0]=4 104 B6R0.1 CCCC(=O)OC SBB061104 [1,1,0,0,0,0|1,0,1]=4 105 B6R0.1 COC(=O)CCBr SBB070709 [1,1,0,0,0,0|1,0,1]=4 106 B6R0.1 COC(=O)CCN SBB071679 [1,1,0,0,0,0|1,0,1]=4 107 B6R0.1 C\C=C\C(=O)OC SBB061218 [1,1,0,0,0,0|1,0,1]=4 108 B6R0.1 OCNC(=O)CCl SBB004273 [1,1,0,0,0,0|2,0,0]=4 109 B6R0.2 CC(C)=CC(=O)O SBB065769 [1,1,0,0,0,0|1,0,1]=4 110 B6R0.2 CC(O)CC(=O)O SBB065815 [1,1,0,0,0,0|0,0,1]=3 111 B6R0.2 O=C(O)CC(=O)O SBB040552 [1,1,0,0,0,0|0,0,2]=4 112 B6R0.4 C#CCCC(=O)O SBB009121 [1,1,0,0,0,0|1,0,1]=4 113 B6R0.4 C=CCCC(=O)O SBB061214 [1,1,0,0,0,0|1,0,1]=4 114 B6R0.4 CC(=O)NCCO SBB007954 [1,1,0,0,0,0|1,0,1]=4 115 B6R0.4 CCCCC(=O)O SBB053585 [1,1,0,0,0,0|1,0,1]=4 116 B6R0.4 CCOCC(=O)O SBB069120 [1,1,0,0,0,0|1,0,1]=4 117 B6R0.4 CCSCC(=O)O SBB047288 [1,1,0,0,0,0|1,0,1]=4 118 B6R0.4 CC\C=C\C(=O)O SBB061994 [1,1,0,0,0,0|1,0,0]=3 119 B6R0.4 NCCCC(=O)O SBB028179 [1,1,0,0,0,0|1,0,1]=4 120 B6R0.4 O=C(O)CCCBr SBB065986 [1,1,0,0,0,0|1,0,1]=4 121 B6R0.7 CC(C)(Br)C(=O)O SBB065985 [1,1,0,0,0,0|1,0,1]=4 122 B6R0.7 CC(C)(N)C(=O)O SBB028178 [1,1,0,0,0,0|1,0,1]=4 123 B6R0.7 CC(C)(O)C(=O)O SBB065771 [1,1,0,0,0,0|0,0,2]=4 124 B8R0.5 CCOC(=O)CC(=O)Cl SBB056440 [0,1,0,0,0,1|2,0,0]=4 125 B8R0.5 CCOC(=O)CC(=O)O SBB066094 [0,1,0,0,0,1|1,0,0]=3 126 B8R0.5 CCOC(=O)CC(C)=O SBB040867 [0,1,0,0,0,1|2,0,0]=4 127 B8R0.5 N#CCC(=O)NC(N)=O SBB028224 [0,1,0,0,0,1|2,0,0]=4 128 B8R0.19 CCC(=O)OC(=O)CC SBB060267 [0,1,0,0,0,1|2,0,0]=4 129 B8R0.19 COC(=O)CC(=O)CCl SBB061676 [0,1,0,0,0,1|1,0,0]=3 130 B8R0.19 O=C(CCl)OC(=O)CCl SBB060009 [0,1,0,0,0,1|2,0,0]=4 131 B8R0.23 CC(=O)CC(=O)C(F)F SBB028629 [0,1,0,0,0,1|2,0,0]=4 132 B8R0.23 C\C(=C\C(=O)O)C(=O)O SBB065853 [0,1,0,0,0,1|1,0,1]=4 133 B8R0.23 O=C(O)CC(=O)C(=O)O SBB065751 [0,1,0,0,0,1|0,0,1]=3 134 B8R0.3 CCOC(=O)C(=O)CBr SBB054095 [0,2,0,0,0,0|1,0,0]=3 135 B8R0.3 CCOC(=O)C(=O)CC SBB108891 [0,2,0,0,0,0|1,0,0]=3 136 B8R0.3 CCOC(=O)\C(Cl)=N\O SBB009890 [0,2,0,0,0,0|2,0,0]=4 137 B8R0.3 CCOC(=O)\C(N)=N/O SBB085806 [0,2,0,0,0,0|2,0,0]=4 138 B8R0.8 CC(O)C(=O)NCCO SBB008212 [0,2,0,0,0,0|1,0,1]=4 139 B8R0.8 CCCCC(=O)C(C)=O SBB008584 [0,2,0,0,0,0|2,0,0]=4 140 B8R0.36 CC(CO)(CO)C(=O)O SBB065922 [0,2,0,0,0,0|0,0,2]=4 141 B8R0.27 C=C(C(=O)O)C(F)(F)F SBB065852 [0,2,0,0,0,0|2,0,0]=4 142 B8R0.27 CC(C)(C)C(=O)C(=O)O SBB065803 [0,2,0,0,0,0|1,0,0]=3 143 B8R0.18 CC(=O)C(=NO)C(C)=O SBB049551 [0,2,0,0,0,0|2,0,0]=4 144 B6R1.2 O=C1C=CCO1 SBB040281 [1,0,0,1,0,0|1,0,1]=4 145 B6R1.11 O=C(O)C1CC1 SBB008028 [1,0,0,1,0,0|1,0,1]=4 146 B8R1.1 CC1=CC(CO)=NO1 SBB025974 [0,0,0,1,0,1|2,0,0]=4 147 B8R1.1 CC1=NC(CO)=NO1 SBB018815 [0,0,0,1,0,1|2,0,0]=4 148 B8R1.4 O=C1CCCC(=O)C1 SBB061546 [0,0,0,1,0,1|2,0,0]=4 149 B8R1.4 O=C1CCCC(=O)O1 SBB060010 [0,0,0,1,0,1|2,0,0]=4 150 B8R1.4 O=C1CCNC(=O)N1 SBB007702 [0,0,0,1,0,1|2,0,0]=4 151 B8R1.4 O=C1COCC(=O)O1 SBB060695 [0,0,0,1,0,1|1,0,0]=3 152 B8R1.4 O=C1CSCC(=O)O1 SBB085808 [0,0,0,1,0,1|1,1,0]=4 153 B8R1.18 CC1=CC(=O)C(C)O1 SBB055769 [0,0,0,1,0,1|2,0,0]=4 154 B8R1.5 O=C1NCCNC1=O SBB079701 [0,1,0,1,0,0|2,0,0]=4 155 B8R1.7 O=C(O)C1=COC=C1 SBB004325 [0,1,0,1,0,0|1,0,1]=4 156 B8R1.7 O=C(O)C1=COC=N1 SBB053171 [0,1,0,1,0,0|1,0,1]=4 157 B8R1.7 O=C(O)C1=CON=C1 SBB053165 [0,1,0,1,0,0|1,0,1]=4 158 B8R1.7 O=C(O)C1=NOC=C1 SBB065956 [0,1,0,1,0,0|1,0,1]=4 159 B8R1.7 O=C(O)C1=NON=C1 SBB002780 [0,1,0,1,0,0|1,0,1]=4 160 B8R1.7 O=C(O)C1CCOC1 SBB053083 [0,1,0,1,0,0|1,0,1]=4 161 B8R1.11 CC1=C(CO)C=CO1 SBB054803 [0,1,0,1,0,0|2,0,0]=4 162 B8R1.25 O=C1C(=O)C(O)=C1O SBB007891 [0,1,0,1,0,0|0,0,1]=3 163 B8R1.50 O=C1COC(=O)C1Cl SBB059534 [0,1,0,1,0,0|1,0,1]=4 164 B8R0.9 CCC(=O)CCC(=O)O SBB072628 [0,0,0,0,0,2|1,0,0]=3 165 B8R0.9 CNC(=O)CCC(=O)O SBB007999 [0,0,0,0,0,2|2,0,0]=4 166 B8R0.9 COC(=O)CCC(=O)O SBB061270 [0,0,0,0,0,2|2,0,0]=4 167 B8R0.9 COC(=O)\C=C\C(=O)O SBB065854 [0,0,0,0,0,2|2,0,0]=4 168 B8R0.9 NCC(=O)CCC(=O)O SBB003880 [0,0,0,0,0,2|1,0,0]=3 169 B8R0.9 NCC(=O)CCC(=O)O SBB071696 [0,0,0,0,0,2|1,0,0]=3 170 B8R0.9 NCC(=O)NCC(=O)O SBB067231 [0,0,0,0,0,2|1,0,0]=3 171 B8R0.9 OC(=O)\C=C/C(=O)NC SBB005847 [0,0,0,0,0,2|2,0,0]=4