0 B7R0.4 CC(CCCCBr)=O M10113189P [0,0,0,0,0,0|1,0,2]=3 1 B7R0.4 CC(N)CCCCC M10004600P [0,0,0,0,0,0|1,0,3]=4 2 B7R0.4 CC(OCCOC)=O M10003718P [0,0,0,0,0,0|2,0,1]=3 3 B7R0.4 CCCCCC(Cl)=O M10005436P [0,0,0,0,0,0|1,0,2]=3 4 B7R0.4 O=C(Cl)OCCCCl M10016962P [0,0,0,0,0,0|3,0,1]=4 5 B7R0.4 O=C(Cl)\C=C\OCC M10084811P [0,0,0,0,0,0|2,0,0]=2 6 B7R0.4 O=C(N)COCCCl M10232141P [0,0,0,0,0,0|3,0,1]=4 7 B7R0.4 O=C(N)NCCCC M10195780P [0,0,0,0,0,0|2,0,1]=3 8 B7R0.4 O=C(N)NCCCC M10200467P [0,0,0,0,0,0|2,0,1]=3 9 B7R0.4 O=C(O)CCCCO M10123275P [0,0,0,0,0,0|2,0,2]=4 10 B7R0.4 O=C(O)CCOCC M10062024P [0,0,0,0,0,0|2,0,2]=4 11 B7R0.4 O=C(O)CNCCN M10183221P [0,0,0,0,0,0|3,0,1]=4 12 B7R0.4 O=C(O)COCCC M10276951P [0,0,0,0,0,0|2,0,1]=3 13 B7R0.4 O=C([O-])CCCCO M10233260P [0,0,0,0,0,0|2,0,2]=4 14 B6R0.4 C=C\C=C\C(O)=O M10016890P [1,0,0,0,0,0|1,0,2]=4 15 B6R0.4 CC(CCC=C)=O M10003621P [1,0,0,0,0,0|0,0,3]=4 16 B6R0.4 CC(CCCBr)=O M10058337P [1,0,0,0,0,0|1,0,1]=3 17 B6R0.4 CC(NCCO)=O M10005418P [1,0,0,0,0,0|2,0,0]=3 18 B6R0.4 CC(OCCO)=O M10013697P [1,0,0,0,0,0|2,0,0]=3 19 B6R0.4 CC\C=C\C(O)=O M10016889P [1,0,0,0,0,0|1,0,0]=2 20 B6R0.4 CC\C=C\C([O-])=O M12008293P [1,0,0,0,0,0|1,0,0]=2 21 B6R0.4 O=C(Cl)CCCBr M10023246P [1,0,0,0,0,0|2,0,1]=4 22 B6R0.4 O=C(Cl)OCCCl M10016902P [1,0,0,0,0,0|3,0,0]=4 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|2,0,1]=4 25 B6R0.4 O=C(O)CCOC M10045190P [1,0,0,0,0,0|2,0,1]=4 26 B6R0.4 O=C(O)CCSC M10017612P [1,0,0,0,0,0|2,0,1]=4 27 B6R0.4 O=C(O)COCC M10016894P [1,0,0,0,0,0|2,0,1]=4 28 B6R0.4 O=C(O)\C=C\CBr M10127900P [1,0,0,0,0,0|2,0,0]=3 29 B6R0.4 O=[Sn](CCCC)O M10042008P [1,0,0,0,0,0|2,0,1]=4 30 B6R0.4 S=C(N)NCCC M10023251P [1,0,0,0,0,0|2,1,0]=4 31 B6R0.6 COBCCCC M10104694P [1,0,0,0,0,0|2,0,1]=4 32 B6R0.6 C\C=C\C=C\C=O M10005449P [1,0,0,0,0,0|0,0,2]=3 33 B6R0.6 C\C=C\C=C\CO M10147270P [1,0,0,0,0,0|1,0,1]=3 34 B8R0.5 CC(OC(C)=O)COC M10497504P [0,1,0,0,0,0|2,0,1]=4 35 B8R0.6 C\C=C\C=C\C(OC)=O M10018450P [0,1,0,0,0,0|0,0,2]=3 36 B8R0.6 O=C(OC)CCCCCl M10129961P [0,1,0,0,0,0|1,0,2]=4 37 B8R0.6 O=C(OCCCC)CCl M10014991P [0,1,0,0,0,0|1,0,1]=3 38 B8R0.6 O=C(OCCCC)CO M10104696P [0,1,0,0,0,0|1,0,1]=3 39 B8R0.7 BrCCCCOC(C)=O M10065998P [0,1,0,0,0,0|1,0,1]=3 40 B8R0.7 CCCC\C=C\C(O)=O M10158440P [0,1,0,0,0,0|1,0,0]=2 41 B8R0.7 CSCCCOC(C)=O M10144018P [0,1,0,0,0,0|1,0,1]=3 42 B8R0.7 O=C(Cl)CCCCCBr M10176911P [0,1,0,0,0,0|1,0,2]=4 43 B8R0.7 O=C(Cl)OCCCCC M10017366P [0,1,0,0,0,0|1,0,2]=4 44 B8R0.7 O=C(Cl)OCCOCC M10016994P [0,1,0,0,0,0|2,0,1]=4 45 B8R0.7 O=C(O)CCCCCN M10196151P [0,1,0,0,0,0|1,0,2]=4 46 B8R0.7 O=C(O)COCCCC M10044886P [0,1,0,0,0,0|1,0,2]=4 47 B8R0.7 O=C(O)COCCOC M10140131P [0,1,0,0,0,0|2,0,1]=4 48 B8R0.8 CC(O)C(OCCC)=O M10016208P [0,1,0,0,0,0|1,0,2]=4 49 B8R0.8 C[C@H](N)C(CCCC)=O M10784855P [0,1,0,0,0,0|1,0,2]=4 50 B8R0.8 C[C@H](O)C(OCCC)=O M10271936P [0,1,0,0,0,0|1,0,2]=4 51 B8R0.9 O=C(O)\C=C\C(OC)=O M10047363P [0,1,0,0,0,0|2,0,1]=4 52 B8R0.28 CC(CCC=C(C)C)=O M10003758P [0,1,0,0,0,0|1,0,2]=4 53 B8R0.28 O=C(O)\C=C\CN(C)C M10996972P [0,1,0,0,0,0|2,0,0]=3 54 B8R1.1 CC1=CC=C(CC)S1 M10242382P [0,0,0,1,0,0|0,1,1]=3 55 B8R1.1 CC1=NC=C(CC)N1 M10205568P [0,0,0,1,0,0|2,0,1]=4 56 B8R1.1 CSC1=CC=C(C)O1 M10125717P [0,0,0,1,0,0|1,0,2]=4 57 B8R1.1 C[N+]1=CN(CC)C=C1 M10409475P [0,0,0,1,0,0|3,0,0]=4 58 B8R1.1 C[N+]1=CN(CC)C=C1 M10761770P [0,0,0,1,0,0|3,0,0]=4 59 B8R1.1 C[N+]1=CN(CC)C=C1 M10761771P [0,0,0,1,0,0|3,0,0]=4 60 B8R1.1 C[N+]1=CN(CC)C=C1 M10767700P [0,0,0,1,0,0|3,0,0]=4 61 B8R1.1 C[N+]1=CN(CC)C=C1 M10782580P [0,0,0,1,0,0|3,0,0]=4 62 B8R1.1 O=C1NCC(CN)C1 M10938946P [0,0,0,1,0,0|2,0,1]=4 63 B8R1.1 O=C1O[C@H](CO)C=C1 M10471936P [0,0,0,1,0,0|2,0,0]=3 64 B8R1.4 O=C1CN(C)CCC1 M10077248P [0,0,0,1,0,0|1,0,2]=4 65 B8R1.4 O=C1NCCC(O)C1 M10882636P [0,0,0,1,0,0|2,0,1]=4 66 B8R1.4 O=C1NCCN(C)C1 M10224934P [0,0,0,1,0,0|2,0,1]=4 67 B8R1.4 O=C1NCC[C@H](O)C1 M10882637P [0,0,0,1,0,0|2,0,1]=4 68 B8R1.7 CC(C1=CNC=N1)=O M10353238P [0,0,0,1,0,0|2,0,1]=4 69 B8R1.7 CC(C1SCCN1)=O M10425066P [0,0,0,1,0,0|2,0,1]=4 70 B8R1.7 CC([C@@H]1OCCC1)=O M10934991P [0,0,0,1,0,0|1,0,1]=3 71 B8R1.7 CC([C@H]1OCCC1)=O M10733047P [0,0,0,1,0,0|1,0,1]=3 72 B8R1.7 O=C(C1=COCC1)O M10633740P [0,0,0,1,0,0|2,0,0]=3 73 B8R1.7 O=C([C@@H]1NCCC1)N M10256539P [0,0,0,1,0,0|2,0,1]=4 74 B8R1.7 OB(C1=CCCC1)O M10998831P [0,0,0,1,0,0|2,0,1]=4 75 B8R1.22 O=C1CCNCCC1 M10254302P [0,0,0,1,0,0|1,0,2]=4 76 B5R0.1 C=C(OCC)C M10023218P [2,0,0,0,0,0|2,0,0]=4 77 B5R0.1 CC(C)=CCCl M10012522P [2,0,0,0,0,0|2,0,0]=4 78 B5R0.1 CC(CC#N)=O M10044340P [2,0,0,0,0,0|1,0,1]=4 79 B5R0.1 CC(CCCl)=O M10089400P [2,0,0,0,0,0|1,0,0]=3 80 B5R0.1 CC(COC)=O M10081509P [2,0,0,0,0,0|1,0,0]=3 81 B5R0.1 CC(N)CCC M10393249P [2,0,0,0,0,0|1,0,1]=4 82 B5R0.1 CC(OC=O)=O M10041862P [2,0,0,0,0,0|2,0,0]=4 83 B5R0.1 CC(OCC)=N M10041195P [2,0,0,0,0,0|2,0,0]=4 84 B5R0.1 CSCS(C)=O M10220911P [2,0,0,0,0,0|2,0,0]=4 85 B5R0.1 C\C=C\C(Cl)=O M10016774P [2,0,0,0,0,0|1,0,0]=3 86 B5R0.1 C\C=C\C(Cl)=O M10115520P [2,0,0,0,0,0|1,0,0]=3 87 B5R0.1 ClCOC(C)=O M10016791P [2,0,0,0,0,0|2,0,0]=4 88 B5R0.1 O=C(O)CCF M10011311P [2,0,0,0,0,0|2,0,0]=4 89 B5R0.1 O=C(O)CCO M10012525P [2,0,0,0,0,0|2,0,0]=4 90 B5R0.1 O=C([O-])CNC M10061947P [2,0,0,0,0,0|2,0,0]=4 91 B5R0.2 C=CCCCCl M10023281P [2,0,0,0,0,0|1,0,1]=4 92 B5R0.2 C=CCOCC M10014106P [2,0,0,0,0,0|1,0,1]=4 93 B5R0.2 C=COCCO M10020115P [2,0,0,0,0,0|2,0,0]=4 94 B5R0.2 CCCN=C=O M10003745P [2,0,0,0,0,0|1,0,1]=4 95 B5R0.2 CCCOC=C M10020114P [2,0,0,0,0,0|1,0,0]=3 96 B5R0.2 C\C=C\OCC M10023285P [2,0,0,0,0,0|1,0,0]=3 97 B7R0.2 O=C(Cl)OC(C)CC M10149751P [1,1,0,0,0,0|2,0,0]=4 98 B7R0.3 C=CC(NCCC)=O M10192147P [1,1,0,0,0,0|1,0,1]=4 99 B7R0.3 O=C(OC)CCCN M10119950P [1,1,0,0,0,0|1,0,1]=4 100 B7R0.3 O=C(OC)\C=C\OC M10080442P [1,1,0,0,0,0|1,0,0]=3 101 B7R0.3 O=C(OCCC)CBr M10226573P [1,1,0,0,0,0|1,0,0]=3 102 B7R0.5 CC(C(CCC)=O)=O M10058081P [1,1,0,0,0,0|0,0,0]=2 103 B7R0.5 CCCC(Br)C(O)=O M10014810P [1,1,0,0,0,0|1,0,1]=4 104 B7R0.5 CCCC(C)C(O)=O M10209692P [1,1,0,0,0,0|1,0,1]=4 105 B7R0.5 CC\C=C(C)\C(O)=O M10051561P [1,1,0,0,0,0|1,0,0]=3 106 B7R0.5 O=C(O)C(OCC)=O M10016281P [1,1,0,0,0,0|2,0,0]=4 107 B7R0.5 O=C(OCC)C(N)=O M10016280P [1,1,0,0,0,0|2,0,0]=4 108 B7R0.6 CC(C)=CC=C(C)C M10020099P [1,1,0,0,0,0|1,0,1]=4 109 B7R0.6 CC(C)\C=C\C(O)=O M10114075P [1,1,0,0,0,0|1,0,0]=3 110 B7R0.6 CC(\C=C\N(C)C)=O M10047810P [1,1,0,0,0,0|1,0,0]=3 111 B7R0.6 O=C(Cl)OCC(C)C M10013714P [1,1,0,0,0,0|2,0,0]=4 112 B7R0.7 C\C=C\C(OCC)=O M10116065P [1,1,0,0,0,0|1,0,0]=3 113 B7R0.7 O=C(OCC)\C=C\I M10215517P [1,1,0,0,0,0|2,0,0]=4 114 B9R0.4 CC(OC(C)=O)COCC M10278996P [0,2,0,0,0,0|1,0,1]=4 115 B9R0.6 CC(C(C(OCC)=O)=O)=O M10035324P [0,2,0,0,0,0|1,0,0]=3 116 B9R0.6 CC(C(Cl)C(OCC)=O)=O M10015794P [0,2,0,0,0,0|1,0,1]=4 117 B9R0.6 CC(C(N)C(OCC)=O)=O M10164762P [0,2,0,0,0,0|1,0,1]=4 118 B9R0.34 CCCC(O)CC(OC)=O M10169115P [0,2,0,0,0,0|0,0,2]=4 119 B9R0.34 O=C(OCC)CC(CBr)=O M10121526P [0,2,0,0,0,0|1,0,1]=4 120 B9R0.34 O=C(OCC)CC(NC)=O M10443263P [0,2,0,0,0,0|1,0,1]=4 121 B9R0.5 O=C(OCC)\C=C\OCC M10082130P [0,2,0,0,0,0|1,0,0]=3 122 B9R0.5 O=C(OCCCC)CC#N M10076065P [0,2,0,0,0,0|1,0,1]=4 123 B9R0.8 CCCCC(Br)C(OC)=O M10064420P [0,2,0,0,0,0|0,0,2]=4 124 B9R0.8 CCCCC(Br)C(OC)=O M10437847P [0,2,0,0,0,0|0,0,2]=4 125 B9R0.46 O=C(OC)CCCCCBr M10129964P [0,2,0,0,0,0|0,0,2]=4 126 B9R0.46 O=C(OC)CCCCCO M10064340P [0,2,0,0,0,0|0,0,2]=4 127 B9R0.47 CC(C(OCCCC)=O)=O M10165130P [0,2,0,0,0,0|0,0,1]=3 128 B9R0.47 C[C@H](O)C(OCCCC)=O M10223932P [0,2,0,0,0,0|1,0,1]=4 129 B9R0.2 CC(OCCOCCO)=O M10039891P [0,2,0,0,0,0|1,0,1]=4 130 B9R0.2 C\C=C\C=C\COC(C)=O M10032064P [0,2,0,0,0,0|0,0,2]=4 131 B9R0.48 O=C(OCC)\C=C\C(Cl)=O M10193577P [0,2,0,0,0,0|1,0,1]=4 132 B9R0.7 C=C(C)C(OCC(O)C)=O M11208097P [0,2,0,0,0,0|2,0,0]=4 133 B7R1.2 CC1=NN(C)C=C1 M10018607P [1,0,0,1,0,0|2,0,0]=4 134 B7R1.2 N[C@H]1COC(C1)=O M10174878P [1,0,0,1,0,0|2,0,0]=4 135 B7R1.2 O=C1CN(C)CC1 M10472463P [1,0,0,1,0,0|1,0,1]=4 136 B7R1.2 O=C1OC(CO1)C M10003516P [1,0,0,1,0,0|2,0,0]=4 137 B7R1.2 O=C1OC[C@H](C)O1 M10258723P [1,0,0,1,0,0|2,0,0]=4 138 B7R1.2 O=C1OC[C@H](O)C1 M10299052P [1,0,0,1,0,0|2,0,0]=4 139 B7R1.3 BrC1=CCOCC1 M10183929P [1,0,0,1,0,0|2,0,0]=4 140 B7R1.3 ClC1=CCCCC1 M10208207P [1,0,0,1,0,0|1,0,0]=3 141 B7R1.3 O=C1CCNCC1 M10246538P [1,0,0,1,0,0|1,0,1]=4 142 B7R1.3 O=C1CCNCC1 M10247465P [1,0,0,1,0,0|1,0,1]=4 143 B7R1.3 O=C1CCNCC1 M10857977P [1,0,0,1,0,0|1,0,1]=4 144 B7R1.3 O=C1CCOCC1 M10179636P [1,0,0,1,0,0|1,0,1]=4 145 B7R1.3 O=C1CNCCC1 M10342345P [1,0,0,1,0,0|1,0,1]=4 146 B7R1.3 O=C1NCCCN1 M10037131P [1,0,0,1,0,0|2,0,0]=4 147 B7R1.3 O=C1OCCOC1 M10050467P [1,0,0,1,0,0|2,0,0]=4 148 B7R1.3 O=S1CCCCC1 M10067807P [1,0,0,1,0,0|1,0,1]=4 149 B7R1.10 O=C1CC(CO)C1 M10810765P [1,0,0,1,0,0|1,0,1]=4 150 B7R1.1 CCN1N=CC=C1 M10047966P [1,0,0,1,0,0|2,0,0]=4 151 B7R1.1 O=CC1OCCC1 M10109701P [1,0,0,1,0,0|1,0,1]=4 152 B7R1.4 CC1=C(C)SC=C1 M11197216P [1,0,0,1,0,0|1,0,1]=4 153 B7R1.4 O=C1C(C)CCC1 M10027182P [1,0,0,1,0,0|0,0,2]=4 154 B7R1.4 [Mn]C1=C(C)C=CC1 M10118086P [1,0,0,1,0,0|1,0,1]=4 155 B9R1.7 CC1=NC(CCN)=CN1 M10230514P [0,1,0,1,0,0|2,0,0]=4 156 B9R1.13 CC(N[C@@H]1CNCC1)=O M10695408P [0,1,0,1,0,0|1,0,1]=4 157 B9R1.22 CC1=CC(C)=NN1CC M10150613P [0,1,0,1,0,0|2,0,0]=4 158 B9R1.34 O=C1CC(CC(C)C1)=O M10062153P [0,1,0,1,0,0|0,0,1]=3 159 B9R1.66 O=C1CC(C)(O)CCO1 M12271779P [0,1,0,1,0,0|1,0,1]=4 160 B9R1.137 CC(CC(C1CC1)=O)=O M10170892P [0,1,0,1,0,0|0,0,1]=3 161 B9R1.2 CC1=CC=CC(CC)=N1 M10027285P [0,1,0,1,0,0|1,0,1]=4 162 B9R1.5 O=C1NCCCCC1N M10018058P [0,1,0,1,0,0|1,0,1]=4 163 B9R1.5 O=C1NCCCC[C@H]1N M10204271P [0,1,0,1,0,0|1,0,1]=4 164 B9R1.11 ClCC(N1CCCC1)=O M10165063P [0,1,0,1,0,0|1,0,1]=4 165 B9R1.11 O=C(C1=CCCC1)OC M10190686P [0,1,0,1,0,0|0,0,0]=2 166 B9R1.11 O=C(C1OCCC1)OC M10233304P [0,1,0,1,0,0|1,0,1]=4 167 B9R1.21 O=CC1=CC=C(CC)S1 M10231895P [0,1,0,1,0,0|1,0,1]=4 168 B9R1.50 O=C1NCCCCCC1 M10018116P [0,1,0,1,0,0|0,0,2]=4 169 B9R1.6 CC(C1CCCCC1)=O M10021388P [0,1,0,1,0,0|0,0,2]=4 170 B9R1.6 CC(C1CCOCC1)=O M10742643P [0,1,0,1,0,0|0,0,2]=4 171 B9R1.6 O=C(C1=CCCCC1)O M10017285P [0,1,0,1,0,0|1,0,0]=3 172 B9R1.6 O=C(C1=CCCCO1)O M10214169P [0,1,0,1,0,0|1,0,0]=3 173 B9R1.23 NC1=CN(CC)N=C1C M10087436P [0,1,0,1,0,0|2,0,0]=4 174 B9R1.23 NC1=CN(CC)N=C1C M11108144P [0,1,0,1,0,0|2,0,0]=4