0 B6R0.4 C#CCCC(=O)O SBB009121 [0,0,0,0,0,0|1,0,1]=2 1 B6R0.4 C=CCCC(=O)O SBB061214 [0,0,0,0,0,0|1,0,1]=2 2 B6R0.4 C=CCCC(C)=O SBB009089 [0,0,0,0,0,0|2,0,1]=3 3 B6R0.4 CC(=O)NCCCl SBB008165 [0,0,0,0,0,0|3,0,0]=3 4 B6R0.4 CC(=O)NCCN SBB028176 [0,0,0,0,0,0|2,0,0]=2 5 B6R0.4 CC(=O)NCCO SBB007954 [0,0,0,0,0,0|3,0,0]=3 6 B6R0.4 CC(=O)OCCCl SBB058505 [0,0,0,0,0,0|3,0,0]=3 7 B6R0.4 CC(C)NCCN SBB048119 [0,0,0,0,0,0|3,0,1]=4 8 B6R0.4 CC(C)OCCN SBB301616 [0,0,0,0,0,0|3,0,1]=4 9 B6R0.4 CCC#CC(C)=O SBB009086 [0,0,0,0,0,0|2,0,2]=4 10 B6R0.4 CCCCC(=O)O SBB053585 [0,0,0,0,0,0|1,0,0]=1 11 B6R0.4 CCCCC(C)=O SBB061262 [0,0,0,0,0,0|2,0,0]=2 12 B6R0.4 CCCCC(C)O SBB061290 [0,0,0,0,0,0|2,0,1]=3 13 B6R0.4 CCCCC(N)=O SBB028169 [0,0,0,0,0,0|2,0,0]=2 14 B6R0.4 CCCCN(C)C SBB060243 [0,0,0,0,0,0|4,0,0]=4 15 B6R0.4 CCCNC(N)=O SBB028174 [0,0,0,0,0,0|3,0,0]=3 16 B6R0.4 CCCOC(C)=O SBB060305 [0,0,0,0,0,0|3,0,0]=3 17 B6R0.4 CCCOC(N)=O SBB000036 [0,0,0,0,0,0|3,0,0]=3 18 B6R0.4 CCOCC(=O)O SBB069120 [0,0,0,0,0,0|2,0,0]=2 19 B6R0.4 CCOCC(C)O SBB061006 [0,0,0,0,0,0|3,0,1]=4 20 B6R0.4 CCSCC(=O)O SBB047288 [0,0,0,0,0,0|2,0,0]=2 21 B6R0.4 CC\C=C\C(=O)O SBB061994 [0,0,0,0,0,0|1,0,2]=3 22 B6R0.4 CN(C)CCCN SBB028177 [0,0,0,0,0,0|3,0,0]=3 23 B6R0.4 CNCCC(N)=O SBB080375 [0,0,0,0,0,0|3,0,0]=3 24 B6R0.4 NCCCC(=O)O SBB028179 [0,0,0,0,0,0|0,0,0]=0 25 B6R0.4 NCCNC(=S)S SBB069239 [0,0,0,0,0,0|1,2,0]=3 26 B6R0.4 O=C(Cl)CCCCl SBB060894 [0,0,0,0,0,0|2,0,0]=2 27 B6R0.4 O=C(O)CCCBr SBB065986 [0,0,0,0,0,0|1,0,0]=1 28 B5R0.1 C#CCC(=O)O SBB116169 [1,0,0,0,0,0|0,0,2]=3 29 B5R0.1 CC(=O)CC#N SBB014113 [1,0,0,0,0,0|1,0,2]=4 30 B5R0.1 CCCC(=O)Cl SBB040624 [1,0,0,0,0,0|1,0,0]=2 31 B5R0.1 CCOC(=O)Cl SBB040861 [1,0,0,0,0,0|2,0,0]=3 32 B5R0.1 CN(C)CCN SBB007533 [1,0,0,0,0,0|3,0,0]=4 33 B5R0.1 COCC(=O)O SBB061376 [1,0,0,0,0,0|1,0,0]=2 34 B5R0.1 CS(=O)CCN SBB050811 [1,0,0,0,0,0|2,0,0]=3 35 B5R0.1 CSCC(=O)O SBB053570 [1,0,0,0,0,0|1,0,0]=2 36 B5R0.1 C\C(Cl)=C\CN SBB301293 [1,0,0,0,0,0|2,0,1]=4 37 B5R0.1 N#CCC(N)=O SBB007540 [1,0,0,0,0,0|1,0,2]=4 38 B5R0.1 O=C(O)CCBr SBB065770 [1,0,0,0,0,0|1,0,0]=2 39 B5R0.1 O=C(O)CCCl SBB069140 [1,0,0,0,0,0|1,0,0]=2 40 B5R0.2 BrCCCCBr SBB060204 [1,0,0,0,0,0|2,0,1]=4 41 B5R0.2 C=COCCCl SBB061485 [1,0,0,0,0,0|3,0,0]=4 42 B5R0.2 C=COCCN SBB072719 [1,0,0,0,0,0|2,0,0]=3 43 B5R0.2 CCCCCBr SBB059933 [1,0,0,0,0,0|2,0,1]=4 44 B5R0.2 CCCCCCl SBB059951 [1,0,0,0,0,0|2,0,1]=4 45 B5R0.2 CCOCCN SBB072161 [1,0,0,0,0,0|2,0,1]=4 46 B5R0.2 CCSCCN SBB017894 [1,0,0,0,0,0|2,0,1]=4 47 B5R0.2 CNCCCN SBB059823 [1,0,0,0,0,0|2,0,0]=3 48 B5R0.2 CSCCCO SBB056451 [1,0,0,0,0,0|2,0,1]=4 49 B5R0.2 FCCCCBr SBB087044 [1,0,0,0,0,0|2,0,1]=4 50 B5R0.2 N#CCCCBr SBB054746 [1,0,0,0,0,0|2,0,1]=4 51 B5R0.2 N#CCCCCl SBB061739 [1,0,0,0,0,0|2,0,1]=4 52 B5R0.2 NCCCCN SBB059998 [1,0,0,0,0,0|1,0,1]=3 53 B5R0.2 O=C=NCCCl SBB054898 [1,0,0,0,0,0|2,0,1]=4 54 B5R0.2 OCCCCCl SBB002444 [1,0,0,0,0,0|1,0,1]=3 55 B7R0.2 CCC(C)CC(=O)O SBB008180 [0,1,0,0,0,0|1,0,0]=2 56 B7R0.2 CCC(C)NC(N)=O SBB008605 [0,1,0,0,0,0|3,0,0]=4 57 B7R0.2 NC[C@@H](O)CC(=O)O SBB065945 [0,1,0,0,0,0|0,0,0]=1 58 B7R0.3 C=C(CC)CCCC SBB060475 [0,1,0,0,0,0|3,0,0]=4 59 B7R0.3 C=CC(O)CCCC SBB008778 [0,1,0,0,0,0|2,0,1]=4 60 B7R0.3 CC(CN)CCCN SBB058625 [0,1,0,0,0,0|2,0,1]=4 61 B7R0.3 CCC(=O)OCCCl SBB060315 [0,1,0,0,0,0|3,0,0]=4 62 B7R0.3 CCCCC(=O)NN SBB028196 [0,1,0,0,0,0|2,0,0]=3 63 B7R0.3 CCCNC(=O)CCl SBB016586 [0,1,0,0,0,0|3,0,0]=4 64 B7R0.3 CCCOC(=O)CCl SBB060962 [0,1,0,0,0,0|3,0,0]=4 65 B7R0.3 CCCOC(=O)CS SBB061003 [0,1,0,0,0,0|2,1,0]=4 66 B7R0.3 CCOCC(=O)NN SBB080108 [0,1,0,0,0,0|3,0,0]=4 67 B7R0.3 CNCCC(=O)NC SBB046578 [0,1,0,0,0,0|3,0,0]=4 68 B7R0.3 CNCCC(=O)NC SBB080433 [0,1,0,0,0,0|3,0,0]=4 69 B7R0.3 COC(=N)CCCCl SBB056505 [0,1,0,0,0,0|2,0,0]=3 70 B7R0.3 COC(=O)\C=C\CBr SBB070730 [0,1,0,0,0,0|1,0,2]=4 71 B7R0.3 N(N)C(=O)CCOC SBB059492 [0,1,0,0,0,0|3,0,0]=4 72 B7R0.3 NNC(=O)CCCO SBB028199 [0,1,0,0,0,0|2,0,0]=3 73 B7R0.3 O=C(CCl)OCCCl SBB061273 [0,1,0,0,0,0|3,0,0]=4 74 B7R0.4 C#CCCCC(=O)O SBB009090 [0,1,0,0,0,0|1,0,0]=2 75 B7R0.4 CC(C)OCCCN SBB061717 [0,1,0,0,0,0|2,0,1]=4 76 B7R0.4 CCCC#CC(=O)O SBB009091 [0,1,0,0,0,0|1,0,1]=3 77 B7R0.4 CCCCCC(=O)Cl SBB060011 [0,1,0,0,0,0|2,0,0]=3 78 B7R0.4 CCCCCC(=O)O SBB053586 [0,1,0,0,0,0|1,0,0]=2 79 B7R0.4 CCCCCC(C)=O SBB061125 [0,1,0,0,0,0|2,0,0]=3 80 B7R0.4 CCCCCC(N)=O SBB061056 [0,1,0,0,0,0|2,0,0]=3 81 B7R0.4 CCCCNC(N)=S SBB028242 [0,1,0,0,0,0|2,1,0]=4 82 B7R0.4 CCCCOC(N)=O SBB060819 [0,1,0,0,0,0|2,0,0]=3 83 B7R0.4 CCCOCC(C)O SBB061007 [0,1,0,0,0,0|2,0,1]=4 84 B7R0.4 CCC\C=C\C(=O)O SBB009088 [0,1,0,0,0,0|1,0,1]=3 85 B7R0.4 CCOCCC(=O)O SBB053607 [0,1,0,0,0,0|1,0,0]=2 86 B7R0.4 CN(C)CCCCN SBB008514 [0,1,0,0,0,0|3,0,0]=4 87 B7R0.4 CNCCCN(C)C SBB052125 [0,1,0,0,0,0|3,0,0]=4 88 B7R0.4 COCCOC(C)=O SBB060999 [0,1,0,0,0,0|3,0,0]=4 89 B7R0.4 NCCCCC(=O)O SBB061559 [0,1,0,0,0,0|0,0,0]=1 90 B7R0.4 O=C(O)CCCCBr SBB061343 [0,1,0,0,0,0|1,0,0]=2 91 B7R0.4 O=C(O)CCCCCl SBB061215 [0,1,0,0,0,0|1,0,0]=2 92 B7R0.4 OC(=O)C\C=C/CC SBB006610 [0,1,0,0,0,0|1,0,1]=3 93 B7R0.4 [NH2+]=C(N)SCCCC SBB060794 [0,1,0,0,0,0|3,0,0]=4 94 B7R0.5 CC(CCN)N(C)C SBB046536 [0,1,0,0,0,0|3,0,0]=4 95 B7R0.5 CC(NC=O)C(=O)O SBB047145 [0,1,0,0,0,0|2,0,1]=4 96 B7R0.5 CCCC(Br)C(=O)O SBB065976 [0,1,0,0,0,0|1,0,0]=2 97 B7R0.5 CCCC(C)C(=O)O SBB065915 [0,1,0,0,0,0|1,0,0]=2 98 B7R0.5 CCCC(C)C(C)O SBB061491 [0,1,0,0,0,0|2,0,1]=4 99 B7R0.5 CCC[C@@H](N)C(=O)O SBB065919 [0,1,0,0,0,0|1,0,0]=2 100 B7R0.5 CC\C=C(/C)C(=O)O SBB069108 [0,1,0,0,0,0|1,0,2]=4 101 B7R0.5 CSC[C@H](N)C(=O)O SBB066379 [0,1,0,0,0,0|2,0,0]=3 102 B7R0.5 NC(CCO)C(=O)O SBB065734 [0,1,0,0,0,0|1,0,0]=2 103 B7R0.5 NC(CCS)C(=O)O SBB065757 [0,1,0,0,0,0|1,0,0]=2 104 B7R0.5 NCCC(N)C(=O)O SBB053580 [0,1,0,0,0,0|0,0,0]=1 105 B7R0.5 NCCC(N)C(=O)O SBB066000 [0,1,0,0,0,0|0,0,0]=1 106 B7R0.5 NCCC(O)C(=O)O SBB066010 [0,1,0,0,0,0|0,0,0]=1 107 B7R0.5 NCC[C@H](N)C(=O)O SBB003640 [0,1,0,0,0,0|0,0,0]=1 108 B7R0.5 OC(=O)[C@H](CC=C)N SBB006743 [0,1,0,0,0,0|1,0,1]=3 109 B7R0.6 CC(=O)CCC(=O)O SBB040561 [0,1,0,0,0,0|1,0,1]=3 110 B7R0.6 CC(=O)CCC(C)=O SBB040811 [0,1,0,0,0,0|2,0,1]=4 111 B7R0.6 CC(=O)NCC(=O)O SBB036034 [0,1,0,0,0,0|2,0,1]=4 112 B7R0.6 CC(C)CCC(=O)O SBB065829 [0,1,0,0,0,0|1,0,0]=2 113 B7R0.6 CC(C)CCC(C)N SBB008544 [0,1,0,0,0,0|2,0,1]=4 114 B7R0.6 CC(C)CCC(C)O SBB061318 [0,1,0,0,0,0|2,0,1]=4 115 B7R0.6 CC(C)CNC(N)=O SBB008242 [0,1,0,0,0,0|3,0,0]=4 116 B7R0.6 CC(C)\C=C\C(=O)O SBB061966 [0,1,0,0,0,0|1,0,2]=4 117 B7R0.6 N=C(N)NCC(=O)O SBB028198 [0,1,0,0,0,0|1,0,1]=3 118 B7R0.6 NC(=O)\C=C/C(=O)O SBB007773 [0,1,0,0,0,0|0,0,3]=4 119 B7R0.6 NC(=S)NCC(=O)O SBB057116 [0,1,0,0,0,0|1,0,1]=3 120 B7R0.6 O=C(Cl)CCC(=O)Cl SBB061367 [0,1,0,0,0,0|2,0,1]=4 121 B7R0.6 O=C(O)CCC(=O)O SBB040562 [0,1,0,0,0,0|1,0,1]=3 122 B7R0.8 CCCCS(=O)(=O)Cl SBB061680 [0,1,0,0,0,0|2,0,1]=4 123 B7R0.8 CNCCS(=O)(=O)O SBB072665 [0,1,0,0,0,0|3,0,0]=4 124 B7R0.8 NCCCP(=O)(O)O SBB004184 [0,1,0,0,0,0|1,0,0]=2 125 B7R0.8 O=S(=O)(Cl)CCCCl SBB016760 [0,1,0,0,0,0|2,0,1]=4 126 B7R0.8 [NH3+]CCCS(C)(=O)=O SBB088827 [0,1,0,0,0,0|1,0,2]=4 127 B7R1.2 NC1=NC(=O)CS1 SBB051924 [0,0,0,1,0,0|2,0,1]=4 128 B7R1.2 O=C1CCC(=O)N1 SBB040866 [0,0,0,1,0,0|2,0,1]=4 129 B7R1.2 O=C1CCC(=O)O1 SBB040819 [0,0,0,1,0,0|1,0,1]=3 130 B7R1.2 O=C1C[C@H](O)CO1 SBB055783 [0,0,0,1,0,0|3,0,0]=4 131 B7R1.3 FC1CCCNC1 SBB070684 [0,0,0,1,0,0|2,0,1]=4 132 B7R1.3 N1CCCC(C)C1 SBB027301 [0,0,0,1,0,0|2,0,1]=4 133 B7R1.3 N1CCCC(O)C1 SBB004193 [0,0,0,1,0,0|1,0,1]=3 134 B7R1.3 NC1CCCNC1 SBB052004 [0,0,0,1,0,0|2,0,1]=4 135 B7R1.3 N[C@@H]1CCCNC1 SBB069744 [0,0,0,1,0,0|2,0,1]=4 136 B7R1.3 N[C@H]1CCCNC1 SBB017596 [0,0,0,1,0,0|2,0,1]=4 137 B7R1.3 O=C1C=CCCC1 SBB008209 [0,0,0,1,0,0|2,0,0]=3 138 B7R1.3 O=C1CCCCC1 SBB060074 [0,0,0,1,0,0|2,0,0]=3 139 B7R1.3 O=C1CCCCO1 SBB060349 [0,0,0,1,0,0|1,0,0]=2 140 B7R1.3 O=C1CCOCC1 SBB049627 [0,0,0,1,0,0|3,0,0]=4 141 B7R1.3 O=C1CCSCC1 SBB048121 [0,0,0,1,0,0|3,0,0]=4 142 B7R1.3 O=C1CNCCN1 SBB000034 [0,0,0,1,0,0|2,0,0]=3 143 B7R1.3 OC1CCCCC1 SBB060483 [0,0,0,1,0,0|2,0,1]=4 144 B7R1.3 OC1CCCCO1 SBB055947 [0,0,0,1,0,0|1,0,2]=4 145 B7R1.3 OC1CCCNC1 SBB027351 [0,0,0,1,0,0|1,0,1]=3 146 B7R1.7 CCCCC1CO1 SBB017137 [0,0,0,1,0,0|2,0,1]=4 147 B7R1.10 C=C1CC(CN)C1 SBB052508 [0,0,0,1,0,0|2,0,0]=3 148 B7R1.10 O=C1CC(CO)C1 SBB054867 [0,0,0,1,0,0|2,0,0]=3 149 B7R1.12 C[C@H]1C[C@H]1C(=O)O SBB069055 [0,0,0,1,0,0|1,0,0]=2 150 B7R1.14 O=S1(=O)CCCC1 SBB057389 [0,0,0,1,0,0|2,0,1]=4 151 B7R1.18 NC(=O)C1CCC1 SBB111823 [0,0,0,1,0,0|2,0,0]=3 152 B7R1.18 O=C(Cl)C1CCC1 SBB007882 [0,0,0,1,0,0|2,0,0]=3 153 B7R1.18 O=C(O)C1CCC1 SBB053465 [0,0,0,1,0,0|1,0,0]=2 154 B7R1.18 O=C(O)C1CCN1 SBB053470 [0,0,0,1,0,0|0,0,0]=1 155 B7R1.18 O=C(O)C1CNC1 SBB027353 [0,0,0,1,0,0|2,0,0]=3 156 B7R1.18 O=C(O)[C@@H]1CCN1 SBB004365 [0,0,0,1,0,0|0,0,0]=1 157 B7R1.20 O=C(O)CC1CC1 SBB005442 [0,0,0,1,0,0|1,0,0]=2 158 B4R0.1 NCC(=O)O SBB071447 [2,0,0,0,0,0|0,0,0]=2 159 B4R0.1 NCC(=O)[O-] SBB116671 [2,0,0,0,0,0|0,0,1]=3 160 B4R0.1 O=C(Br)CBr SBB040828 [2,0,0,0,0,0|2,0,0]=4 161 B4R0.1 O=C(Cl)CBr SBB051682 [2,0,0,0,0,0|2,0,0]=4 162 B4R0.1 O=C(Cl)CCl SBB040859 [2,0,0,0,0,0|2,0,0]=4 163 B4R0.1 O=C(O)CBr SBB053569 [2,0,0,0,0,0|1,0,0]=3 164 B4R0.2 BrCCCBr SBB060203 [2,0,0,0,0,0|2,0,0]=4 165 B4R0.2 CCCCBr SBB059930 [2,0,0,0,0,0|1,0,1]=4 166 B4R0.2 C\C=C\CC SBB059879 [2,0,0,0,0,0|1,0,1]=4 167 B4R0.2 ClCCCBr SBB058669 [2,0,0,0,0,0|2,0,0]=4 168 B4R0.2 ClCCCCl SBB040918 [2,0,0,0,0,0|2,0,0]=4 169 B4R0.2 OCCCBr SBB054750 [2,0,0,0,0,0|1,0,0]=3 170 B6R0.1 C#CC(=O)OCC SBB060344 [1,1,0,0,0,0|2,0,0]=4 171 B6R0.1 C#CC(O)CCC SBB067434 [1,1,0,0,0,0|1,0,1]=4 172 B6R0.1 C=CC(=O)OCC SBB060348 [1,1,0,0,0,0|2,0,0]=4 173 B6R0.1 CCCC(=O)CC SBB061496 [1,1,0,0,0,0|1,0,0]=3 174 B6R0.1 CCCC(=O)NN SBB028175 [1,1,0,0,0,0|1,0,0]=3 175 B6R0.1 CCCC(=O)OC SBB061104 [1,1,0,0,0,0|0,0,0]=2 176 B6R0.1 CCCC(C)CO SBB061282 [1,1,0,0,0,0|1,0,1]=4 177 B6R0.1 CCCC(O)CC SBB061363 [1,1,0,0,0,0|1,0,1]=4 178 B6R0.1 CCC\C(N)=N/O SBB028173 [1,1,0,0,0,0|1,0,0]=3 179 B6R0.1 CCNC(=O)CBr SBB051008 [1,1,0,0,0,0|2,0,0]=4 180 B6R0.1 CCNC(=O)CCl SBB008200 [1,1,0,0,0,0|2,0,0]=4 181 B6R0.1 CCOC(=O)CBr SBB060995 [1,1,0,0,0,0|2,0,0]=4 182 B6R0.1 CCOC(=O)CC SBB060312 [1,1,0,0,0,0|2,0,0]=4 183 B6R0.1 CCOC(=O)NN SBB028182 [1,1,0,0,0,0|2,0,0]=4 184 B6R0.1 COC(=O)CC#N SBB059483 [1,1,0,0,0,0|0,0,2]=4 185 B6R0.1 COC(=O)CCBr SBB070709 [1,1,0,0,0,0|1,0,0]=3 186 B6R0.1 COC(=O)CCN SBB071679 [1,1,0,0,0,0|0,0,0]=2 187 B6R0.1 COCC(=O)NN SBB021113 [1,1,0,0,0,0|2,0,0]=4 188 B6R0.1 C\C=C\C(=O)OC SBB061218 [1,1,0,0,0,0|0,0,2]=4 189 B6R0.1 [NH3+]CC(=O)OCC SBB056599 [1,1,0,0,0,0|2,0,0]=4 190 B6R0.2 CC(=O)CC(C)=O SBB009914 [1,1,0,0,0,0|1,0,1]=4 191 B6R0.2 CC(=O)CC(C)C SBB060384 [1,1,0,0,0,0|1,0,0]=3 192 B6R0.2 CC(=O)CC(N)=O SBB061675 [1,1,0,0,0,0|1,0,1]=4 193 B6R0.2 CC(C)=CC(=O)O SBB065769 [1,1,0,0,0,0|0,0,2]=4 194 B6R0.2 CC(C)CB(O)O SBB062832 [1,1,0,0,0,0|1,0,1]=4 195 B6R0.2 CC(C)CC(=O)Cl SBB040623 [1,1,0,0,0,0|1,0,0]=3 196 B6R0.2 CC(C)CC(C)O SBB061337 [1,1,0,0,0,0|1,0,1]=4 197 B6R0.2 CC(C)CC(N)=O SBB028167 [1,1,0,0,0,0|1,0,0]=3 198 B6R0.2 CC(O)CC(=O)O SBB065815 [1,1,0,0,0,0|0,0,0]=2 199 B6R0.2 CN(C)CC(=O)O SBB065779 [1,1,0,0,0,0|1,0,0]=3 200 B6R0.2 NC(=O)CC(=O)O SBB049982 [1,1,0,0,0,0|0,0,1]=3 201 B6R0.2 NC(=O)CC(N)=O SBB044920 [1,1,0,0,0,0|1,0,1]=4 202 B6R0.2 O=C(O)CC(=O)O SBB040552 [1,1,0,0,0,0|1,0,1]=4 203 B6R0.2 [NH+](C)(C)CC(=O)O SBB061663 [1,1,0,0,0,0|1,0,0]=3 204 B6R0.3 CC(CN)C(=O)O SBB061656 [1,1,0,0,0,0|0,0,0]=2 205 B6R0.3 CCC(=O)C(C)=O SBB061626 [1,1,0,0,0,0|1,0,1]=4 206 B6R0.3 CCC(Br)C(=O)O SBB040791 [1,1,0,0,0,0|0,0,0]=2 207 B6R0.3 CCC(N)C(N)=O SBB017505 [1,1,0,0,0,0|1,0,0]=3 208 B6R0.3 CC[C@H](N)C(=O)O SBB053588 [1,1,0,0,0,0|0,0,0]=2 209 B6R0.3 CN[C@@H](C)C(=O)O SBB069105 [1,1,0,0,0,0|1,0,0]=3 210 B6R0.3 CN[C@@H](C)C(=O)O SBB069106 [1,1,0,0,0,0|1,0,0]=3 211 B6R0.3 C\C=C(\C)C(=O)O SBB071598 [1,1,0,0,0,0|0,0,2]=4 212 B6R0.3 NC(=O)C(N)CO SBB004161 [1,1,0,0,0,0|2,0,0]=4 213 B6R0.3 NC(CO)C(=O)O SBB061655 [1,1,0,0,0,0|1,0,0]=3 214 B6R0.3 NCC(N)C(=O)O SBB060844 [1,1,0,0,0,0|0,0,0]=2 215 B6R0.3 NC[C@H](O)C(=O)O SBB062829 [1,1,0,0,0,0|0,0,0]=2 216 B6R0.3 O=C(O)C(=O)CBr SBB053571 [1,1,0,0,0,0|1,0,1]=4 217 B6R0.3 O=C(O)C(=O)CBr SBB053584 [1,1,0,0,0,0|1,0,1]=4 218 B6R0.3 O=C(O)C(Br)CBr SBB068302 [1,1,0,0,0,0|1,0,0]=3 219 B6R0.3 O=C(O)C(O)CCl SBB072606 [1,1,0,0,0,0|1,0,0]=3 220 B6R0.3 OC(=O)[C@@H](CN)N SBB005812 [1,1,0,0,0,0|0,0,0]=2 221 B6R0.5 CCCS(=O)(=O)Cl SBB048026 [1,1,0,0,0,0|1,0,1]=4 222 B6R0.5 CS(=O)(=O)CCN SBB047603 [1,1,0,0,0,0|1,0,1]=4 223 B6R0.5 NCCS(N)(=O)=O SBB014994 [1,1,0,0,0,0|1,0,1]=4 224 B6R0.5 NCCS(N)(=O)=O SBB070085 [1,1,0,0,0,0|1,0,1]=4 225 B6R0.6 C#CCCCCO SBB015110 [1,1,0,0,0,0|1,0,1]=4 226 B6R0.6 C=CCCCCBr SBB054740 [1,1,0,0,0,0|2,0,0]=4 227 B6R0.6 C=CCCCCC SBB059882 [1,1,0,0,0,0|2,0,0]=4 228 B6R0.6 C=CCOCCO SBB060194 [1,1,0,0,0,0|2,0,0]=4 229 B6R0.6 CCCCCCN SBB059984 [1,1,0,0,0,0|1,0,1]=4 230 B6R0.6 CCCCCCO SBB059899 [1,1,0,0,0,0|1,0,1]=4 231 B6R0.6 CCCCCOC SBB061300 [1,1,0,0,0,0|1,0,1]=4 232 B6R0.6 CCCCNC=O SBB060026 [1,1,0,0,0,0|1,0,0]=3 233 B6R0.6 CCCCOC=O SBB060300 [1,1,0,0,0,0|1,0,0]=3 234 B6R0.6 CCCOCCO SBB061379 [1,1,0,0,0,0|1,0,1]=4 235 B6R0.6 CCCSCCO SBB058605 [1,1,0,0,0,0|1,0,1]=4 236 B6R0.6 CCC\C=C\C=O SBB067097 [1,1,0,0,0,0|1,0,1]=4 237 B6R0.6 CCOCCCN SBB028180 [1,1,0,0,0,0|1,0,1]=4 238 B6R0.6 NCCCCCN SBB079706 [1,1,0,0,0,0|1,0,1]=4 239 B6R0.6 NCCNCCN SBB059776 [1,1,0,0,0,0|1,0,1]=4 240 B6R0.6 NCCNCCO SBB028183 [1,1,0,0,0,0|0,0,1]=3 241 B6R0.6 NCCOCCO SBB060906 [1,1,0,0,0,0|0,0,1]=3 242 B6R0.6 NCCSCCO SBB056468 [1,1,0,0,0,0|0,0,1]=3 243 B6R0.6 O=C=NCCCCl SBB068362 [1,1,0,0,0,0|1,0,1]=4 244 B6R0.6 OCCNCCO SBB059779 [1,1,0,0,0,0|1,0,1]=4 245 B6R0.6 OCCOCCCl SBB060189 [1,1,0,0,0,0|1,0,1]=4 246 B6R0.6 OCCSCCO SBB060117 [1,1,0,0,0,0|1,0,1]=4 247 B8R0.2 CCC(C)C(Br)C(=O)O SBB069132 [0,2,0,0,0,0|1,0,0]=3 248 B8R0.2 [C@H](C)(CC)[C@H](N)C(=O)O SBB037854 [0,2,0,0,0,0|1,0,0]=3 249 B8R0.5 CCCC(C)CC(=O)O SBB061321 [0,2,0,0,0,0|1,0,0]=3 250 B8R0.5 CCOC(=O)CC(=O)O SBB066094 [0,2,0,0,0,0|1,0,1]=4 251 B8R0.16 CCN(CC)CC(=O)O SBB010260 [0,2,0,0,0,0|2,0,0]=4 252 B8R0.19 COC(=O)CC(=O)CCl SBB061676 [0,2,0,0,0,0|1,0,1]=4 253 B8R0.23 CC(=O)CC(C)C(=O)O SBB053608 [0,2,0,0,0,0|1,0,1]=4 254 B8R0.23 CC(C)CC(N)C(N)=O SBB000156 [0,2,0,0,0,0|2,0,0]=4 255 B8R0.23 CC(C)CC(N)C(N)=O SBB072626 [0,2,0,0,0,0|2,0,0]=4 256 B8R0.23 CC(C)C[C@@H](N)C(=O)O SBB006736 [0,2,0,0,0,0|1,0,0]=3 257 B8R0.23 CC(C)C[C@H](O)C(=O)O SBB065948 [0,2,0,0,0,0|1,0,0]=3 258 B8R0.23 CC(CC(=O)O)C(=O)O SBB061436 [0,2,0,0,0,0|1,0,1]=4 259 B8R0.23 CN(CC(=O)O)C(=N)N SBB028240 [0,2,0,0,0,0|1,0,1]=4 260 B8R0.23 CN(CC(=O)O)C(=N)N SBB067296 [0,2,0,0,0,0|1,0,1]=4 261 B8R0.23 NC(=O)CC(N)C(=O)O SBB058664 [0,2,0,0,0,0|0,0,1]=3 262 B8R0.23 NC(=O)C[C@@H](N)C(=O)O SBB058629 [0,2,0,0,0,0|0,0,1]=3 263 B8R0.23 NC(CC(=O)O)C(=O)O SBB015070 [0,2,0,0,0,0|1,0,1]=4 264 B8R0.23 O=C(O)CC(Cl)C(=O)O SBB065943 [0,2,0,0,0,0|1,0,1]=4 265 B8R0.23 O=C(O)CC(S)C(=O)O SBB058850 [0,2,0,0,0,0|1,0,1]=4 266 B8R0.23 O=C(O)C[C@H](Br)C(=O)O SBB063599 [0,2,0,0,0,0|1,0,1]=4 267 B8R0.23 O=C(O)C[C@H](O)C(=O)O SBB058687 [0,2,0,0,0,0|1,0,1]=4 268 B8R0.1 CCCCC(=O)OCC SBB061113 [0,2,0,0,0,0|1,0,0]=3 269 B8R0.1 CCCCS(=O)CCO SBB019077 [0,2,0,0,0,0|2,0,0]=4 270 B8R0.1 CCOC(=O)CCCBr SBB070757 [0,2,0,0,0,0|1,0,0]=3 271 B8R0.1 CCOC(=O)CCCN SBB003878 [0,2,0,0,0,0|0,0,0]=2 272 B8R0.1 CCOC(=O)NCCO SBB079074 [0,2,0,0,0,0|2,0,0]=4 273 B8R0.3 COC(=O)C(C)CCCl SBB054131 [0,2,0,0,0,0|1,0,0]=3 274 B8R0.3 COC(=O)[C@@H](N)CSC SBB080950 [0,2,0,0,0,0|2,0,0]=4 275 B8R0.6 C=CCSCC(=O)OC SBB008000 [0,2,0,0,0,0|1,0,1]=4 276 B8R0.6 CCCC#CC(=O)OC SBB069575 [0,2,0,0,0,0|1,0,1]=4 277 B8R0.6 CCCCCC(=O)CC SBB060388 [0,2,0,0,0,0|2,0,0]=4 278 B8R0.6 CCCCCC(=O)NN SBB021010 [0,2,0,0,0,0|2,0,0]=4 279 B8R0.6 CCCCCC(=O)NO SBB008093 [0,2,0,0,0,0|1,0,0]=3 280 B8R0.6 CCCCCC(=O)OC SBB060591 [0,2,0,0,0,0|1,0,0]=3 281 B8R0.6 CCCCNC(=O)CCl SBB010319 [0,2,0,0,0,0|2,0,0]=4 282 B8R0.6 CCCCOC(=O)CC SBB060578 [0,2,0,0,0,0|2,0,0]=4 283 B8R0.6 CCCCOC(=O)CCl SBB060760 [0,2,0,0,0,0|2,0,0]=4 284 B8R0.6 CCCCOC(=O)CF SBB085867 [0,2,0,0,0,0|2,0,0]=4 285 B8R0.6 CCCCOC(=O)CS SBB061004 [0,2,0,0,0,0|1,1,0]=4 286 B8R0.6 CCNCCC(=O)NN SBB046550 [0,2,0,0,0,0|2,0,0]=4 287 B8R0.6 CCOCCC(=O)NN SBB079954 [0,2,0,0,0,0|2,0,0]=4 288 B8R0.6 COC(=O)CCCCBr SBB070759 [0,2,0,0,0,0|1,0,0]=3 289 B8R0.8 CC(O)C(=O)NCCO SBB008212 [0,2,0,0,0,0|2,0,0]=4 290 B8R0.8 CCCCC(=O)C(C)=O SBB008584 [0,2,0,0,0,0|1,0,1]=4 291 B8R0.8 CCCCC(=O)N(C)C SBB007992 [0,2,0,0,0,0|2,0,0]=4 292 B8R0.8 CCCCC(Br)C(=O)O SBB069524 [0,2,0,0,0,0|1,0,0]=3 293 B8R0.8 CCCCC(C)C(=O)O SBB072714 [0,2,0,0,0,0|1,0,0]=3 294 B8R0.8 CCCCC(N)C(C)=O SBB014561 [0,2,0,0,0,0|2,0,0]=4 295 B8R0.8 CCCC[C@H](N)C(=O)O SBB065920 [0,2,0,0,0,0|1,0,0]=3 296 B8R0.8 NCCCC(N)C(=O)O SBB047988 [0,2,0,0,0,0|0,0,0]=2 297 B8R0.8 OC(=O)C(C)CCCCl SBB004068 [0,2,0,0,0,0|1,0,0]=3 298 B8R0.8 OC(=O)[C@@H](CCSC)N SBB006710 [0,2,0,0,0,0|1,0,0]=3 299 B8R0.8 [NH3+]CCCC(N)C(=O)O SBB061681 [0,2,0,0,0,0|0,0,1]=3 300 B8R0.9 CCC(=O)CCC(=O)O SBB072628 [0,2,0,0,0,0|1,0,0]=3 301 B8R0.9 CNC(=O)CCC(=O)O SBB007999 [0,2,0,0,0,0|0,0,1]=3 302 B8R0.9 COC(=O)CCC(=O)O SBB061270 [0,2,0,0,0,0|1,0,1]=4 303 B8R0.9 NCC(=O)CCC(=O)O SBB003880 [0,2,0,0,0,0|0,0,0]=2 304 B8R0.9 NCC(=O)CCC(=O)O SBB071696 [0,2,0,0,0,0|0,0,0]=2 305 B8R0.9 NCC(=O)NCC(=O)O SBB067231 [0,2,0,0,0,0|0,0,1]=3 306 B8R0.25 CC(C)(CO)CCCN SBB007685 [0,2,0,0,0,0|1,0,1]=4 307 B8R0.7 C#CCCCCC(=O)O SBB008797 [0,2,0,0,0,0|1,0,0]=3 308 B8R0.7 C=CCNCCC(N)=O SBB116743 [0,2,0,0,0,0|2,0,0]=4 309 B8R0.7 CC(=O)CCCOC=O SBB001557 [0,2,0,0,0,0|2,0,0]=4 310 B8R0.7 CC(=O)OCCCCCl SBB059334 [0,2,0,0,0,0|2,0,0]=4 311 B8R0.7 CCCCCCC(=O)Cl SBB060012 [0,2,0,0,0,0|2,0,0]=4 312 B8R0.7 CCCCCCC(=O)O SBB053587 [0,2,0,0,0,0|1,0,0]=3 313 B8R0.7 CCCCCCC(C)=O SBB060387 [0,2,0,0,0,0|2,0,0]=4 314 B8R0.7 CCCCCOC(C)=O SBB060027 [0,2,0,0,0,0|2,0,0]=4 315 B8R0.7 CCCCSCC(=O)O SBB061205 [0,2,0,0,0,0|1,0,0]=3 316 B8R0.7 CCCNCCC(N)=O SBB116773 [0,2,0,0,0,0|2,0,0]=4 317 B8R0.7 CCOCCOC(C)=O SBB061000 [0,2,0,0,0,0|2,0,0]=4 318 B8R0.7 COCCOCC(=O)O SBB008497 [0,2,0,0,0,0|1,0,0]=3 319 B8R0.7 N#CCCNCC(=O)O SBB005852 [0,2,0,0,0,0|0,0,1]=3 320 B8R0.7 NC(=O)CCNCCO SBB116776 [0,2,0,0,0,0|2,0,0]=4 321 B8R0.7 NCCCCCC(=O)O SBB015068 [0,2,0,0,0,0|0,0,0]=2 322 B8R0.7 O=C(O)CCCCCBr SBB065783 [0,2,0,0,0,0|1,0,0]=3 323 B8R0.7 O=C(O)CCNCCO SBB079386 [0,2,0,0,0,0|1,0,0]=3 324 B8R0.28 CC(=O)NCCC(=O)O SBB065847 [0,2,0,0,0,0|1,0,1]=4 325 B8R0.28 CC(=O)OCCC(C)C SBB040873 [0,2,0,0,0,0|2,0,0]=4 326 B8R0.28 CC(C)CCCC(=O)O SBB072713 [0,2,0,0,0,0|1,0,0]=3 327 B8R0.28 N=C(N)SCCC(=O)O SBB065969 [0,2,0,0,0,0|0,0,1]=3 328 B8R0.28 NC(=O)COCC(=O)O SBB046438 [0,2,0,0,0,0|0,0,1]=3 329 B8R0.28 NC(=O)CSCC(N)=O SBB058334 [0,2,0,0,0,0|1,0,1]=4 330 B8R0.28 O=C(O)CCCC(=O)O SBB060277 [0,2,0,0,0,0|1,0,0]=3 331 B8R0.28 O=C(O)CNCC(=O)O SBB028457 [0,2,0,0,0,0|1,0,1]=4 332 B8R0.28 O=C(O)COCC(=O)O SBB058774 [0,2,0,0,0,0|1,0,1]=4 333 B8R0.28 O=C(O)CSCC(=O)O SBB056921 [0,2,0,0,0,0|1,0,1]=4 334 B8R0.28 O=C([O-])COCC(=O)O SBB060676 [0,2,0,0,0,0|1,0,1]=4 335 B8R0.28 OC(=O)CCCN(C)C SBB005767 [0,2,0,0,0,0|0,0,0]=2 336 B8R0.28 [NH+](C)(C)CCCC(=O)O SBB058463 [0,2,0,0,0,0|0,0,1]=3 337 B8R0.12 C=CCC(C)(C)C(=O)O SBB053609 [0,2,0,0,0,0|1,0,1]=4 338 B8R0.12 C=CCC(F)(F)C(=O)O SBB085914 [0,2,0,0,0,0|1,0,1]=4 339 B8R0.12 CCCC(C)(C)C(=O)O SBB007765 [0,2,0,0,0,0|1,0,0]=3 340 B8R0.29 CC(C)(N)CCC(=O)O SBB019066 [0,2,0,0,0,0|0,0,0]=2 341 B8R0.29 O=C(O)CCC(F)(F)F SBB051072 [0,2,0,0,0,0|1,0,0]=3 342 B6R1.2 O=C1C=CCO1 SBB040281 [1,0,0,1,0,0|0,0,2]=4 343 B6R1.2 O=C1CCCC1 SBB040835 [1,0,0,1,0,0|1,0,0]=3 344 B6R1.2 O=C1CCCN1 SBB060296 [1,0,0,1,0,0|1,0,0]=3 345 B6R1.2 O=C1CCNN1 SBB007977 [1,0,0,1,0,0|1,0,0]=3 346 B6R1.2 O=C1CCSC1 SBB007947 [1,0,0,1,0,0|2,0,0]=4 347 B6R1.2 OC1=NNCC1 SBB047550 [1,0,0,1,0,0|1,0,0]=3 348 B6R1.2 OC1CCNC1 SBB056152 [1,0,0,1,0,0|1,0,1]=4 349 B6R1.2 O[C@H]1CCNC1 SBB004272 [1,0,0,1,0,0|1,0,1]=4 350 B6R1.2 O[C@H]1CCNC1 SBB027336 [1,0,0,1,0,0|1,0,1]=4 351 B6R1.11 CC(=O)C1CC1 SBB040825 [1,0,0,1,0,0|1,0,0]=3 352 B6R1.11 N=C(N)C1CC1 SBB028203 [1,0,0,1,0,0|2,0,0]=4 353 B6R1.11 NC(=O)C1CC1 SBB008326 [1,0,0,1,0,0|1,0,0]=3 354 B6R1.11 NC(=S)C1CC1 SBB024106 [1,0,0,1,0,0|1,1,0]=4 355 B6R1.11 O=C(Cl)C1CC1 SBB061720 [1,0,0,1,0,0|1,0,0]=3 356 B6R1.11 O=C(O)C1CC1 SBB008028 [1,0,0,1,0,0|0,0,0]=2 357 B6R1.1 C1=COCCC1 SBB060381 [1,0,0,1,0,0|1,0,1]=4 358 B6R1.6 NCC1CCC1 SBB108847 [1,0,0,1,0,0|1,0,1]=4 359 B8R1.1 CC1=NOC(CN)C1 SBB027036 [0,1,0,1,0,0|1,0,0]=3 360 B8R1.1 CCC1COC(=O)O1 SBB008625 [0,1,0,1,0,0|1,0,0]=3 361 B8R1.1 NC1=NCC(CBr)O1 SBB010634 [0,1,0,1,0,0|2,0,0]=4 362 B8R1.1 O=C1C=C[C@H](CO)O1 SBB006580 [0,1,0,1,0,0|1,0,1]=4 363 B8R1.1 O=C1CCC(CCl)O1 SBB074378 [0,1,0,1,0,0|1,0,0]=3 364 B8R1.1 O=C1NCC(CBr)S1 SBB019210 [0,1,0,1,0,0|1,1,0]=4 365 B8R1.1 OC[C@@H]1CCC(=O)N1 SBB004302 [0,1,0,1,0,0|2,0,0]=4 366 B8R1.4 CC1=CC(=O)CCC1 SBB007736 [0,1,0,1,0,0|2,0,0]=4 367 B8R1.4 NC1=CC(=O)CCC1 SBB028190 [0,1,0,1,0,0|1,0,0]=3 368 B8R1.4 O=C1CCCC(=O)C1 SBB061546 [0,1,0,1,0,0|2,0,0]=4 369 B8R1.4 O=C1CCCC(=O)O1 SBB060010 [0,1,0,1,0,0|1,0,0]=3 370 B8R1.4 O=C1COCC(=O)O1 SBB060695 [0,1,0,1,0,0|1,0,1]=4 371 B8R1.4 O=C1CSCC(=O)O1 SBB085808 [0,1,0,1,0,0|1,0,1]=4 372 B8R1.34 O=C(O)CC1CCC1 SBB050298 [0,1,0,1,0,0|1,0,0]=3 373 B8R1.51 NC1CCS(=O)(=O)C1 SBB005601 [0,1,0,1,0,0|1,0,1]=4 374 B8R1.51 NC1CCS(=O)(=O)C1 SBB073006 [0,1,0,1,0,0|1,0,1]=4 375 B8R1.2 ON=C1CCCCC1 SBB058381 [0,1,0,1,0,0|2,0,0]=4 376 B8R1.3 N[C@H]1CC[C@H](O)CC1 SBB005825 [0,1,0,1,0,0|1,0,1]=4 377 B8R1.3 O=C1CCC(O)CC1 SBB056283 [0,1,0,1,0,0|2,0,0]=4 378 B8R1.5 CC1CCCCC1=O SBB058517 [0,1,0,1,0,0|2,0,0]=4 379 B8R1.5 CC1NCCNC1=O SBB080100 [0,1,0,1,0,0|2,0,0]=4 380 B8R1.5 NC1CCCNC1=O SBB012739 [0,1,0,1,0,0|1,0,1]=4 381 B8R1.5 O=C1CCCCC1Cl SBB061548 [0,1,0,1,0,0|2,0,0]=4 382 B8R1.5 O=C1NCCNC1=O SBB079701 [0,1,0,1,0,0|1,0,1]=4 383 B8R1.22 O=C1CCCCCC1 SBB060075 [0,1,0,1,0,0|2,0,0]=4 384 B8R1.22 O=C1CCCCCN1 SBB058658 [0,1,0,1,0,0|2,0,0]=4 385 B8R1.22 O=C1CCNCCN1 SBB056241 [0,1,0,1,0,0|2,0,0]=4 386 B8R1.22 O=S1OCCCCO1 SBB060665 [0,1,0,1,0,0|2,0,0]=4 387 B8R1.38 COC(=O)C1CCC1 SBB071501 [0,1,0,1,0,0|1,0,0]=3 388 B8R1.38 NNC(=O)C1CCC1 SBB046617 [0,1,0,1,0,0|2,0,0]=4 389 B8R1.7 NC(=O)C1=NCCN1 SBB013487 [0,1,0,1,0,0|1,0,1]=4 390 B8R1.7 NC(=O)C1CCCN1 SBB004067 [0,1,0,1,0,0|1,0,0]=3 391 B8R1.7 NC(=O)[C@@H]1CCCN1 SBB006531 [0,1,0,1,0,0|1,0,0]=3 392 B8R1.7 O=C(O)C1C=CCN1 SBB053088 [0,1,0,1,0,0|0,0,1]=3 393 B8R1.7 O=C(O)C1CC=CC1 SBB008010 [0,1,0,1,0,0|1,0,1]=4 394 B8R1.7 O=C(O)C1CCCC1 SBB065782 [0,1,0,1,0,0|1,0,0]=3 395 B8R1.7 O=C(O)C1CCCO1 SBB004298 [0,1,0,1,0,0|1,0,0]=3 396 B8R1.7 O=C(O)C1CCNC1 SBB053378 [0,1,0,1,0,0|0,0,0]=2 397 B8R1.7 O=C(O)C1CCNC1 SBB069272 [0,1,0,1,0,0|0,0,0]=2 398 B8R1.7 O=C(O)C1CCOC1 SBB053083 [0,1,0,1,0,0|1,0,0]=3 399 B8R1.7 O=C(O)[C@@H]1CSCN1 SBB015063 [0,1,0,1,0,0|0,0,0]=2 400 B8R1.7 O=C(O)[C@H]1CCCN1 SBB006712 [0,1,0,1,0,0|0,0,0]=2 401 B8R1.7 O=C(O)[C@H]1CCNC1 SBB065825 [0,1,0,1,0,0|0,0,0]=2 402 B8R1.7 OC(=O)C1SCCN1 SBB027340 [0,1,0,1,0,0|0,0,0]=2 403 B8R1.72 O=S1(=O)CCCCO1 SBB059317 [0,1,0,1,0,0|2,0,0]=4 404 B8R1.23 C=C1CC(C(=O)O)C1 SBB053430 [0,1,0,1,0,0|1,0,1]=4 405 B8R1.23 O=C1CC(C(=O)O)C1 SBB053464 [0,1,0,1,0,0|1,0,1]=4 406 B8R1.78 NC1(C(=O)O)CCC1 SBB050243 [0,1,0,1,0,0|1,0,0]=3 407 B8R1.77 CC1(C)CC1C(=O)O SBB053459 [0,1,0,1,0,0|1,0,0]=3 408 B8R1.77 CC1(C)CC1C(N)=O SBB056262 [0,1,0,1,0,0|2,0,0]=4