0 B7R0.6 CC(C)=CC=C(C)C M10020099P [0,0,0,0,0,0|2,0,2]=4 1 B7R0.6 CC(C)CCB(O)O M10634235P [0,0,0,0,0,0|3,0,1]=4 2 B7R0.6 CC(C)\C=C\C(O)=O M10114075P [0,0,0,0,0,0|2,0,1]=3 3 B7R0.6 CC(CCC([O-])=O)=O M10183682P [0,0,0,0,0,0|3,0,1]=4 4 B7R0.6 CC(\C=C\N(C)C)=O M10047810P [0,0,0,0,0,0|2,0,1]=3 5 B7R0.6 C[S+](CCC(O)=O)C M10062116P [0,0,0,0,0,0|3,0,0]=3 6 B7R0.6 O=C(C)CCC([O-])=O M10015062P [0,0,0,0,0,0|3,0,1]=4 7 B7R0.6 O=C(Cl)OCC(C)C M10013714P [0,0,0,0,0,0|1,0,0]=1 8 B7R0.6 O=C(O)CCN(C)C M10133339P [0,0,0,0,0,0|3,0,0]=3 9 B6R0.4 CC(C)CCC=O M10027096P [1,0,0,0,0,0|1,0,0]=2 10 B6R0.4 CC(C)CCCBr M10016880P [1,0,0,0,0,0|2,0,1]=4 11 B6R0.4 CC(C)CCCO M10016881P [1,0,0,0,0,0|1,0,2]=4 12 B6R0.4 CC(C)CN=C=O M10037383P [1,0,0,0,0,0|1,0,1]=3 13 B6R0.4 CC(CCC=C)=O M10003621P [1,0,0,0,0,0|1,0,2]=4 14 B6R0.4 CC(CCCBr)=O M10058337P [1,0,0,0,0,0|2,0,0]=3 15 B6R0.4 CC(NCCO)=O M10005418P [1,0,0,0,0,0|2,0,0]=3 16 B6R0.4 CC(OCCBr)C M10275026P [1,0,0,0,0,0|2,0,1]=4 17 B6R0.4 CC(OCCO)=O M10013697P [1,0,0,0,0,0|1,0,0]=2 18 B6R0.4 CC\C=C\C(O)=O M10016889P [1,0,0,0,0,0|2,0,1]=4 19 B6R0.4 CC\C=C\C([O-])=O M12008293P [1,0,0,0,0,0|2,0,1]=4 20 B6R0.4 CNCCN(C)C M10005417P [1,0,0,0,0,0|3,0,0]=4 21 B6R0.4 O=C(Cl)CCCBr M10023246P [1,0,0,0,0,0|3,0,0]=4 22 B6R0.4 O=C(Cl)OCCCl M10016902P [1,0,0,0,0,0|2,0,0]=3 23 B6R0.4 O=C(N)NCCO M10039744P [1,0,0,0,0,0|3,0,0]=4 24 B6R0.4 O=C(O)CCCCl M10016891P [1,0,0,0,0,0|3,0,0]=4 25 B6R0.4 O=C(O)CCOC M10045190P [1,0,0,0,0,0|3,0,0]=4 26 B6R0.4 O=C(O)CCSC M10017612P [1,0,0,0,0,0|3,0,0]=4 27 B6R0.4 O=C(O)COCC M10016894P [1,0,0,0,0,0|3,0,0]=4 28 B6R0.4 O=NOCC(C)C M10013695P [1,0,0,0,0,0|1,0,0]=2 29 B6R0.4 O=[Sn](CCCC)O M10042008P [1,0,0,0,0,0|3,0,0]=4 30 B6R0.4 S=C(N)NCCC M10023251P [1,0,0,0,0,0|2,1,0]=4 31 B8R0.9 C=CC(OCC(O)C)=O M10024755P [0,1,0,0,0,0|1,0,1]=3 32 B8R0.9 CC(CCC(OC)=O)=O M10016714P [0,1,0,0,0,0|2,0,1]=4 33 B8R0.23 CC(C(CC(C)C)=C)=O M10028564P [0,1,0,0,0,0|1,0,0]=2 34 B8R0.23 CC(C(CC(C)C)=O)=O M10125906P [0,1,0,0,0,0|1,0,0]=2 35 B8R0.23 CC(C(NC(C)C)=O)=C M10126221P [0,1,0,0,0,0|3,0,0]=4 36 B8R0.23 CC(C)CC(C([O-])=O)=O M10616782P [0,1,0,0,0,0|2,0,0]=3 37 B8R0.23 CC(C)CC(O)C(O)=O M10012348P [0,1,0,0,0,0|2,0,0]=3 38 B8R0.23 CC(C)C[C@H](O)C(O)=O M10126214P [0,1,0,0,0,0|2,0,0]=3 39 B8R0.29 CC(C#C[Si](C)(C)C)=O M10082010P [0,1,0,0,0,0|1,1,1]=4 40 B8R0.29 CC(NOC(C)=O)(C)C M10999973P [0,1,0,0,0,0|1,0,0]=2 41 B8R0.29 O=C(O)CNC(C)(C)C M10097629P [0,1,0,0,0,0|3,0,0]=4 42 B8R0.29 O=C(O)CNC(C)(C)C M10301470P [0,1,0,0,0,0|3,0,0]=4 43 B8R1.3 N[C@H]1CC[C@H](C)CC1 M10220545P [0,0,0,1,0,0|2,0,1]=4 44 B8R1.3 O=C1CCC(C)=NN1 M10069197P [0,0,0,1,0,0|2,0,1]=4 45 B8R1.3 OC1CCC(C)CC1 M10014985P [0,0,0,1,0,0|1,0,2]=4 46 B8R1.3 O[C@H]1CC[C@H](C)CC1 M10110148P [0,0,0,1,0,0|1,0,2]=4 47 B8R1.23 CC(N1CC(N)C1)=O M10103229P [0,0,0,1,0,0|2,0,0]=3 48 B8R1.23 O=C(C1CC(C)C1)O M10293834P [0,0,0,1,0,0|2,0,0]=3 49 B8R1.23 O=C(C1CC(Cl)C1)O M10226501P [0,0,0,1,0,0|3,0,0]=4 50 B8R1.23 O=C(C1CC(O)C1)O M10825846P [0,0,0,1,0,0|3,0,0]=4 51 B8R1.23 O=C(C1CN(C)C1)O M11014439P [0,0,0,1,0,0|3,0,0]=4 52 B8R1.23 O=C([C@H]1C[C@@H](O)C1)O M10893713P [0,0,0,1,0,0|3,0,0]=4 53 B8R1.23 O=C([C@H]1C[C@H](O)C1)O M11127122P [0,0,0,1,0,0|3,0,0]=4 54 B8R1.77 O=C(C1C(C)(C)C1)O M10461324P [0,0,0,1,0,0|2,0,0]=3 55 B8R1.77 O=C([C@@H]1C(C)(C)C1)O M10132109P [0,0,0,1,0,0|2,0,0]=3 56 B6R0.2 CC(CC(C)=O)=O M10123299P [0,0,0,0,1,0|1,0,1]=3 57 B6R0.2 CC(N)CC(C)C M10444558P [0,0,0,0,1,0|1,0,1]=3 58 B6R0.2 CC(N)CC(O)=O M10187780P [0,0,0,0,1,0|2,0,0]=3 59 B6R0.2 CC(NC(C)C)C M10017887P [0,0,0,0,1,0|2,0,1]=4 60 B6R0.2 CC(O)CC([O-])=O M10005658P [0,0,0,0,1,0|2,0,0]=3 61 B6R0.2 CC(OC(Br)C)=O M10242154P [0,0,0,0,1,0|1,0,0]=2 62 B6R0.2 CN(C)CN(C)C M10000175P [0,0,0,0,1,0|3,0,0]=4 63 B6R0.2 C[C@@H](O)CC(O)=O M10016803P [0,0,0,0,1,0|2,0,0]=3 64 B6R0.2 C[C@@H](O)CC([O-])=O M10125260P [0,0,0,0,1,0|2,0,0]=3 65 B6R0.2 C[C@H](N)CC(O)=O M10057573P [0,0,0,0,1,0|2,0,0]=3 66 B6R0.2 C[C@H](N)CC(O)=O M10302309P [0,0,0,0,1,0|2,0,0]=3 67 B6R0.2 C[C@H](O)CC(O)=O M10084600P [0,0,0,0,1,0|2,0,0]=3 68 B6R0.2 C[S+](CC([O-])=O)C M10065707P [0,0,0,0,1,0|2,0,0]=3 69 B6R0.2 NC(C)CC(C)C M10003493P [0,0,0,0,1,0|1,0,1]=3 70 B6R0.2 O=C(Cl)C=C(C)C M10053608P [0,0,0,0,1,0|1,0,2]=4 71 B6R0.2 O=C([O-])CN(C)C M10154757P [0,0,0,0,1,0|2,0,0]=3 72 B8R0.28 CC(C)C[AlH]CC(C)C M10028658P [0,0,0,0,0,1|2,0,1]=4 73 B8R0.28 CC(CCC=C(C)C)=O M10003758P [0,0,0,0,0,1|1,0,1]=3 74 B8R0.28 CC(OCC=C(C)C)=O M10028659P [0,0,0,0,0,1|0,0,1]=2 75 B8R0.28 NC(C)CCCC(C)C M10013728P [0,0,0,0,0,1|2,0,1]=4 76 B8R0.28 O=C(O)CCCN(C)C M10436635P [0,0,0,0,0,1|3,0,0]=4 77 B8R0.28 O=C(O)\C=C\CN(C)C M10996972P [0,0,0,0,0,1|3,0,0]=4 78 B5R0.1 C=C(OCC)C M10023218P [2,0,0,0,0,0|1,0,0]=3 79 B5R0.1 C=COC(C)C M10023217P [2,0,0,0,0,0|0,0,1]=3 80 B5R0.1 CC(C)CCI M10013642P [2,0,0,0,0,0|1,0,1]=4 81 B5R0.1 CC(C)C[Mg]Br M10023214P [2,0,0,0,0,0|2,0,0]=4 82 B5R0.1 CC(CC#N)=O M10044340P [2,0,0,0,0,0|1,0,1]=4 83 B5R0.1 CC(CCCl)=O M10089400P [2,0,0,0,0,0|1,0,0]=3 84 B5R0.1 CC(COC)=O M10081509P [2,0,0,0,0,0|1,0,0]=3 85 B5R0.1 CC(N)CCC M10393249P [2,0,0,0,0,0|1,0,1]=4 86 B5R0.1 CC(OC=O)=O M10041862P [2,0,0,0,0,0|1,0,1]=4 87 B5R0.1 CC(OCC)=N M10041195P [2,0,0,0,0,0|1,0,0]=3 88 B5R0.1 CSCS(C)=O M10220911P [2,0,0,0,0,0|2,0,0]=4 89 B5R0.1 C[C@@H](O)COC M10067779P [2,0,0,0,0,0|1,0,0]=3 90 B5R0.1 C[C@H](O)COC M10194416P [2,0,0,0,0,0|1,0,0]=3 91 B5R0.1 C[SiH](OCC)C M10133661P [2,0,0,0,0,0|0,1,1]=4 92 B5R0.1 ClCOC(C)=O M10016791P [2,0,0,0,0,0|1,0,0]=3 93 B5R0.1 NC(OCC)=N M10213773P [2,0,0,0,0,0|2,0,0]=4 94 B5R0.1 NNCC(C)C M10843147P [2,0,0,0,0,0|2,0,0]=4 95 B5R0.1 O=C(Cl)OCCl M10173503P [2,0,0,0,0,0|2,0,0]=4 96 B5R0.1 O=C(O)CCF M10011311P [2,0,0,0,0,0|2,0,0]=4 97 B5R0.1 O=C(O)CCO M10012525P [2,0,0,0,0,0|2,0,0]=4 98 B5R0.1 O=C([O-])CNC M10061947P [2,0,0,0,0,0|2,0,0]=4 99 B5R0.1 O=NOC(C)C M10013647P [2,0,0,0,0,0|1,0,0]=3 100 B5R0.2 C=COCCO M10020115P [2,0,0,0,0,0|1,0,1]=4 101 B5R0.2 CCCN=C=O M10003745P [2,0,0,0,0,0|1,0,1]=4 102 B5R0.2 CCCOC=C M10020114P [2,0,0,0,0,0|0,0,1]=3 103 B5R0.2 CCOCCCl M10016975P [2,0,0,0,0,0|1,0,1]=4 104 B5R0.2 C\C=C\OCC M10023285P [2,0,0,0,0,0|2,0,0]=4 105 B7R0.2 O=C(Cl)OC(C)CC M10149751P [1,1,0,0,0,0|1,0,0]=3 106 B7R0.3 C=CC(NCCC)=O M10192147P [1,1,0,0,0,0|1,0,1]=4 107 B7R0.3 O=C(OC)CCCN M10119950P [1,1,0,0,0,0|2,0,0]=4 108 B7R0.3 O=C(OCC=C)CCl M10049025P [1,1,0,0,0,0|0,0,2]=4 109 B7R0.3 O=C(OCCC)CBr M10226573P [1,1,0,0,0,0|0,0,0]=2 110 B7R0.4 CC(CCCCBr)=O M10113189P [1,1,0,0,0,0|1,0,0]=3 111 B7R0.4 CC(OCCOC)=O M10003718P [1,1,0,0,0,0|0,0,0]=2 112 B7R0.4 CCCCCC(Cl)=O M10005436P [1,1,0,0,0,0|2,0,0]=4 113 B7R0.4 O=C(Cl)OCCCCl M10016962P [1,1,0,0,0,0|1,0,0]=3 114 B7R0.4 O=C(N)COCCCl M10232141P [1,1,0,0,0,0|2,0,0]=4 115 B7R0.4 O=C(N)NCCCC M10195780P [1,1,0,0,0,0|2,0,0]=4 116 B7R0.4 O=C(N)NCCCC M10200467P [1,1,0,0,0,0|2,0,0]=4 117 B7R0.4 O=C(O)CCCCO M10123275P [1,1,0,0,0,0|2,0,0]=4 118 B7R0.4 O=C(O)CCOCC M10062024P [1,1,0,0,0,0|2,0,0]=4 119 B7R0.4 O=C(O)COCCC M10276951P [1,1,0,0,0,0|1,0,0]=3 120 B7R0.4 O=C([O-])CCCCO M10233260P [1,1,0,0,0,0|2,0,0]=4 121 B7R0.5 CC(C(CCC)=O)=O M10058081P [1,1,0,0,0,0|1,0,0]=3 122 B7R0.5 CCCC(Br)C(O)=O M10014810P [1,1,0,0,0,0|2,0,0]=4 123 B7R0.5 CCCC(C)C(O)=O M10209692P [1,1,0,0,0,0|2,0,0]=4 124 B7R0.8 O=COCC(F)(F)F M10215852P [1,1,0,0,0,0|2,0,0]=4 125 B7R0.9 C=C(C)CC(C)(C)C M10003431P [0,1,0,0,1,0|1,0,0]=3 126 B7R0.9 CC(C)(N)CC(O)=O M10016757P [0,1,0,0,1,0|1,0,0]=3 127 B7R0.9 CC(C)(N)CC(O)=O M10897138P [0,1,0,0,1,0|1,0,0]=3 128 B7R0.9 CC(C)(O)CC(O)=O M10016759P [0,1,0,0,1,0|1,0,0]=3 129 B7R0.9 CC(C)(O)CC([O-])=O M12004457P [0,1,0,0,1,0|1,0,0]=3 130 B7R0.9 CC(C)=CC(C)(C)C M10003432P [0,1,0,0,1,0|1,0,1]=4 131 B7R0.9 CC(CC(C)(S)C)=O M10163133P [0,1,0,0,1,0|0,0,0]=2 132 B7R0.9 O=C([O-])C[N+](C)(C)C M10015014P [0,1,0,0,1,0|2,0,0]=4 133 B7R0.16 CC(C)C(C(O)=O)=O M10019964P [0,1,0,0,1,0|1,0,1]=4 134 B7R0.16 CC(C)C(C([O-])=O)=O M10057013P [0,1,0,0,1,0|1,0,1]=4 135 B7R0.16 CC(C)C(C([O-])=O)=O M10262012P [0,1,0,0,1,0|1,0,1]=4 136 B7R0.16 CC(C)[C@@H](N)C(N)=O M10736332P [0,1,0,0,1,0|1,0,0]=3 137 B7R0.16 CC(C)[C@H](C)C(O)=O M10134757P [0,1,0,0,1,0|1,0,0]=3 138 B9R0.1 C=CC(OCCN(C)C)=O M10043973P [0,1,0,0,0,1|1,0,1]=4 139 B9R0.7 C=C(C)C(OCC(O)C)=O M11208097P [0,1,0,0,0,1|2,0,0]=4 140 B9R0.7 CC(C)CC[C@@H](N)C(O)=O M10747756P [0,1,0,0,0,1|2,0,0]=4 141 B9R0.7 CC(C)CC[C@H](N)C(O)=O M10215341P [0,1,0,0,0,1|2,0,0]=4 142 B9R0.53 CC(C)CC(N)CC(O)=O M10056453P [0,1,0,0,0,1|2,0,0]=4 143 B9R0.24 SCC(OCC(CO)O)=O M10210839P [0,2,0,0,0,0|1,0,0]=3 144 B9R0.48 CC(C)CCC(OCC)=O M10189485P [0,2,0,0,0,0|1,0,0]=3 145 B9R0.48 O=C(OCC(C)C)CC#N M10123002P [0,2,0,0,0,0|0,0,0]=2 146 B9R0.48 O=C(OCC)CCN(C)C M10164358P [0,2,0,0,0,0|2,0,0]=4 147 B9R0.79 CC(C)[C@@H](O)[C@H](N)C(O)=O M10112428P [0,2,0,0,0,0|2,0,0]=4 148 B9R0.79 CC(C)[C@H](O)[C@@H](N)C(O)=O M10512441P [0,2,0,0,0,0|2,0,0]=4 149 B7R1.2 CC1OS(OC1)=O M10031271P [1,0,0,1,0,0|2,0,0]=4 150 B7R1.2 N[C@H]1COC(C1)=O M10174878P [1,0,0,1,0,0|1,0,0]=3 151 B7R1.2 O=C1CN(C)CC1 M10472463P [1,0,0,1,0,0|2,0,0]=4 152 B7R1.2 O=C1OC(CO1)C M10003516P [1,0,0,1,0,0|1,0,0]=3 153 B7R1.2 O=C1OCC(Cl)O1 M10058922P [1,0,0,1,0,0|2,0,0]=4 154 B7R1.2 O=C1OCC(F)O1 M10694293P [1,0,0,1,0,0|2,0,0]=4 155 B7R1.2 O=C1OC[C@H](C)O1 M10258723P [1,0,0,1,0,0|1,0,0]=3 156 B7R1.2 O=C1OC[C@H](O)C1 M10299052P [1,0,0,1,0,0|1,0,0]=3 157 B7R1.3 C[C@@H]1NCCOC1 M11094562P [1,0,0,1,0,0|1,0,1]=4 158 B7R1.3 C[C@H]1CNCCC1 M10841057P [1,0,0,1,0,0|1,0,1]=4 159 B7R1.3 C[C@H]1NCCOC1 M10088620P [1,0,0,1,0,0|1,0,1]=4 160 B7R1.3 C[C@H]1NCCOC1 M10456366P [1,0,0,1,0,0|1,0,1]=4 161 B7R1.3 ClC1=CCCCC1 M10208207P [1,0,0,1,0,0|2,0,0]=4 162 B7R1.3 ClC1CCCCO1 M10051478P [1,0,0,1,0,0|1,0,1]=4 163 B7R1.3 N[C@@H]1COCCC1 M10121266P [1,0,0,1,0,0|1,0,1]=4 164 B7R1.3 N[C@@H]1COCCC1 M11098623P [1,0,0,1,0,0|1,0,1]=4 165 B7R1.3 N[C@H]1COCCC1 M11098624P [1,0,0,1,0,0|1,0,1]=4 166 B7R1.3 O=C1CCNCC1 M10246538P [1,0,0,1,0,0|2,0,0]=4 167 B7R1.3 O=C1CCNCC1 M10247465P [1,0,0,1,0,0|2,0,0]=4 168 B7R1.3 O=C1CCNCC1 M10857977P [1,0,0,1,0,0|2,0,0]=4 169 B7R1.3 O=C1CCOCC1 M10179636P [1,0,0,1,0,0|2,0,0]=4 170 B7R1.3 O=C1CNCCC1 M10342345P [1,0,0,1,0,0|2,0,0]=4 171 B7R1.3 O=C1NCCCN1 M10037131P [1,0,0,1,0,0|2,0,0]=4 172 B7R1.3 O=C1OCCOC1 M10050467P [1,0,0,1,0,0|1,0,0]=3 173 B7R1.3 O=S1CCCCC1 M10067807P [1,0,0,1,0,0|2,0,0]=4 174 B7R1.10 O=C1CC(CO)C1 M10810765P [1,0,0,1,0,0|2,0,0]=4 175 B9R1.35 O=C1OC[C@H](C(C)C)N1 M10146629P [0,0,0,1,0,1|1,0,0]=3 176 B9R1.53 CC(OC1CC(C1)=O)=O M10397990P [0,0,0,1,0,1|1,0,1]=4 177 B9R1.66 O=C1CC(C)(C)OCC1 M10028787P [0,0,0,1,0,1|1,0,0]=3 178 B9R1.66 O=C1CC(C)(O)CCO1 M12271779P [0,0,0,1,0,1|1,0,0]=3 179 B9R1.1 N#CC1CCC(CC1)=O M10225432P [0,1,0,1,0,0|1,0,1]=4 180 B9R1.1 O=C1CCC(OC)CC1 M10124180P [0,1,0,1,0,0|1,0,0]=3 181 B9R1.1 O=C1NCC(CO)CC1 M10769348P [0,1,0,1,0,0|1,0,0]=3 182 B9R1.10 O=C1C=CC(C)(C)CC1 M10026199P [0,1,0,1,0,0|1,0,1]=4 183 B9R1.82 O=C(C1CC(Cl)C1)OC M10139679P [0,1,0,1,0,0|2,0,0]=4 184 B9R1.82 O=C(C1CC(O)C1)OC M10067430P [0,1,0,1,0,0|2,0,0]=4 185 B9R1.82 O=C([C@H]1C[C@@H](O)C1)OC M10393173P [0,1,0,1,0,0|2,0,0]=4 186 B9R1.82 O=C([C@H]1C[C@H](O)C1)OC M10393174P [0,1,0,1,0,0|2,0,0]=4 187 B9R1.138 O=C1OCC(C)(C)[C@@H]1O M10072911P [0,1,0,1,0,0|0,0,0]=2 188 B9R1.137 CC(CC(C1CC1)=O)=O M10170892P [0,1,0,1,0,0|1,0,1]=4 189 B5R0.5 CC(C(C)=C)=O M10021132P [0,0,0,0,2,0|0,0,2]=4 190 B5R0.5 CC(C)C([O-])=O M10209916P [0,0,0,0,2,0|1,0,0]=3 191 B5R0.5 CC(F)C(O)=O M10083620P [0,0,0,0,2,0|2,0,0]=4 192 B5R0.5 CC(S)C(C)C M10039796P [0,0,0,0,2,0|0,1,1]=4 193 B5R0.5 C[C@@H](Cl)C(Cl)=O M12278061P [0,0,0,0,2,0|2,0,0]=4 194 B5R0.5 C[C@@H](Cl)C(O)=O M10106671P [0,0,0,0,2,0|2,0,0]=4 195 B5R0.5 C[C@@H](O)C(O)=O M10114112P [0,0,0,0,2,0|2,0,0]=4 196 B5R0.5 C[C@H](Br)C(O)=O M10217830P [0,0,0,0,2,0|2,0,0]=4 197 B5R0.5 OC(C)C([O-])=O M10140216P [0,0,0,0,2,0|2,0,0]=4 198 B5R0.5 OC(C)C([O-])=O M10189588P [0,0,0,0,2,0|2,0,0]=4 199 B5R0.5 [O-]C(C)C([O-])=O M10249277P [0,0,0,0,2,0|2,0,0]=4