0 B7R0.3 C=CC(OCC=C)=O M10024753P [0,0,0,0,0,0|0,1,2]=3 1 B7R0.3 O=C(OC)CCC=O M10126962P [0,0,0,0,0,0|3,0,0]=3 2 B7R0.3 O=C(OC)CCCN M10119950P [0,0,0,0,0,0|3,0,1]=4 3 B7R0.3 O=C(OCC=C)CCl M10049025P [0,0,0,0,0,0|1,1,0]=2 4 B7R0.3 O=C(OCCC)CBr M10226573P [0,0,0,0,0,0|1,1,2]=4 5 B6R0.1 C\C=C\C(OC)=O M10156893P [1,0,0,0,0,0|1,0,2]=4 6 B6R0.1 O=C(OC)CCN M10060379P [1,0,0,0,0,0|2,0,1]=4 7 B6R0.1 O=C(OC)C[N+]#[C-] M10240268P [1,0,0,0,0,0|2,0,1]=4 8 B6R0.1 O=C(OC=C)CCl M10186320P [1,0,0,0,0,0|1,1,0]=3 9 B6R0.1 O=C(OCC)CBr M10003242P [1,0,0,0,0,0|1,1,1]=4 10 B6R0.1 O=C(OCC)CN M10011247P [1,0,0,0,0,0|1,1,1]=4 11 B6R0.4 C=CCCC(Cl)=O M10240332P [1,0,0,0,0,0|2,0,0]=3 12 B6R0.4 C=C\C=C\C(O)=O M10016890P [1,0,0,0,0,0|2,0,1]=4 13 B6R0.4 CC(CCC=C)=O M10003621P [1,0,0,0,0,0|1,0,0]=2 14 B6R0.4 CC(CCCBr)=O M10058337P [1,0,0,0,0,0|2,0,1]=4 15 B6R0.4 CC(NCCO)=O M10005418P [1,0,0,0,0,0|2,0,1]=4 16 B6R0.4 CC(OCCO)=O M10013697P [1,0,0,0,0,0|1,1,1]=4 17 B6R0.6 C=CCCCCCl M10208182P [1,0,0,0,0,0|2,0,1]=4 18 B6R0.6 C=CCOCCO M10003808P [1,0,0,0,0,0|1,1,1]=4 19 B8R0.1 O=C(OCC)CCCBr M10049666P [0,1,0,0,0,0|2,0,1]=4 20 B8R0.1 O=C(OCC)CCCCl M10051695P [0,1,0,0,0,0|2,0,1]=4 21 B8R0.1 O=C(OCC)CCCN M10097497P [0,1,0,0,0,0|2,0,1]=4 22 B8R0.1 O=C(OCC)NCCCl M10089881P [0,1,0,0,0,0|2,0,1]=4 23 B8R0.1 O=C(OCC)\C=C\C=O M10049575P [0,1,0,0,0,0|2,0,1]=4 24 B8R0.1 O=C(OCC=C)CC#N M10123003P [0,1,0,0,0,0|0,1,1]=3 25 B8R0.6 C\C=C\C=C\C(OC)=O M10018450P [0,1,0,0,0,0|2,0,1]=4 26 B8R0.8 CC(O)C(OCCC)=O M10016208P [0,1,0,0,0,0|0,1,2]=4 27 B8R0.8 C[C@H](N)C(CCCC)=O M10784855P [0,1,0,0,0,0|1,0,2]=4 28 B8R0.8 C[C@H](O)C(OCCC)=O M10271936P [0,1,0,0,0,0|0,1,2]=4 29 B8R0.9 CC(CCC(OC)=O)=O M10016714P [0,1,0,0,0,0|2,0,1]=4 30 B8R0.9 O=C(O)CCC(CN)=O M10003359P [0,1,0,0,0,0|3,0,0]=4 31 B8R0.9 O=C(OC)CCC(Cl)=O M10031630P [0,1,0,0,0,0|3,0,0]=4 32 B8R1.1 O=C1N[C@@H](CO)CC1 M10421051P [0,0,0,1,0,0|2,0,1]=4 33 B8R1.1 O=C1N[C@H](CBr)CC1 M10447477P [0,0,0,1,0,0|2,0,1]=4 34 B8R1.1 O=C1N[C@H](CN)CC1 M10768385P [0,0,0,1,0,0|2,0,1]=4 35 B8R1.1 O=C1N[C@H](CO)CC1 M10148902P [0,0,0,1,0,0|2,0,1]=4 36 B8R1.1 O=C1O[C@H](CO)CC1 M10218224P [0,0,0,1,0,0|1,1,1]=4 37 B8R1.3 O=C1CCC(C)=NN1 M10069197P [0,0,0,1,0,0|2,0,1]=4 38 B8R1.3 O=C1CNC(CN1)=O M10003356P [0,0,0,1,0,0|3,0,0]=4 39 B8R1.5 O=C1C(C)=CC=NN1 M10220522P [0,0,0,1,0,0|2,0,1]=4 40 B8R1.5 O=C1C(C)CCCC1 M10014758P [0,0,0,1,0,0|1,0,2]=4 41 B8R1.22 O=C1CCNCCC1 M10254302P [0,0,0,1,0,0|2,0,1]=4 42 B5R0.1 CC(CC#N)=O M10044340P [2,0,0,0,0,0|1,0,1]=4 43 B5R0.1 CC(CCCl)=O M10089400P [2,0,0,0,0,0|1,0,1]=4 44 B5R0.1 CC(COC)=O M10081509P [2,0,0,0,0,0|1,0,1]=4 45 B5R0.1 CC(OC=O)=O M10041862P [2,0,0,0,0,0|1,1,0]=4 46 B5R0.1 ClCOC(C)=O M10016791P [2,0,0,0,0,0|1,1,0]=4 47 B5R0.2 C=CCCCCl M10023281P [2,0,0,0,0,0|1,0,1]=4 48 B5R0.2 C=CCN=C=O M10031358P [2,0,0,0,0,0|1,0,1]=4 49 B5R0.2 C=CCOCC M10014106P [2,0,0,0,0,0|0,1,0]=3 50 B5R0.2 CCCOC=C M10020114P [2,0,0,0,0,0|0,1,1]=4 51 B5R0.2 CCSCCCl M10018543P [2,0,0,0,0,0|1,0,1]=4 52 B5R0.2 CCSCCO M10003744P [2,0,0,0,0,0|1,0,1]=4 53 B5R0.3 C=CC(NC)=O M10028554P [2,0,0,0,0,0|1,0,0]=3 54 B5R0.3 C=CC(O)CC M10016219P [2,0,0,0,0,0|0,0,2]=4 55 B5R0.3 CCC(C=O)=C M10023101P [2,0,0,0,0,0|2,0,0]=4 56 B5R0.3 CCC(CBr)=O M10021171P [2,0,0,0,0,0|1,0,0]=3 57 B5R0.3 CCC(NC)=O M10028553P [2,0,0,0,0,0|1,0,0]=3 58 B5R0.3 O=C(CBr)CBr M10204064P [2,0,0,0,0,0|2,0,0]=4 59 B5R0.3 O=C(CO)CO M10002465P [2,0,0,0,0,0|2,0,0]=4 60 B5R0.3 O=C(OC)C=O M10023106P [2,0,0,0,0,0|2,0,0]=4 61 B5R0.3 O=C(OC)CBr M10002471P [2,0,0,0,0,0|1,1,0]=4 62 B5R0.3 O=C(OC)OC M10016226P [2,0,0,0,0,0|1,1,0]=4 63 B7R0.5 CC(Br)C(OCC)=O M10013455P [1,1,0,0,0,0|0,1,1]=4 64 B7R0.5 CC(C)C(OCCl)=O M10342363P [1,1,0,0,0,0|1,1,0]=4 65 B7R0.5 CC(S)C(OCC)=O M10162587P [1,1,0,0,0,0|0,1,1]=4 66 B7R0.5 C[C@@H](Cl)C(OCC)=O M10248724P [1,1,0,0,0,0|0,1,1]=4 67 B7R0.5 C[C@@H](O)C(OCC)=O M10109851P [1,1,0,0,0,0|0,1,1]=4 68 B7R0.7 CCCC(OCCl)=O M10221194P [1,1,0,0,0,0|1,1,0]=4 69 B7R0.7 C\C=C\C(OCC)=O M10116065P [1,1,0,0,0,0|0,0,2]=4 70 B7R0.7 O=C(CCCl)CCCl M10055903P [1,1,0,0,0,0|1,0,1]=4 71 B7R0.7 O=C(OCC)CCS M10076471P [1,1,0,0,0,0|0,1,1]=4 72 B7R0.7 O=C(OCC)CNN M10098052P [1,1,0,0,0,0|2,0,0]=4 73 B7R0.7 O=C(OCC)\C=C\I M10215517P [1,1,0,0,0,0|1,0,1]=4 74 B7R0.7 O=C(OCCl)OCC M10226366P [1,1,0,0,0,0|1,1,0]=4 75 B7R0.6 CC(CCC([O-])=O)=O M10183682P [1,1,0,0,0,0|2,0,0]=4 76 B7R0.6 O=C(C)CCC([O-])=O M10015062P [1,1,0,0,0,0|2,0,0]=4 77 B7R0.1 C=CCCCCCCl M10023319P [1,1,0,0,0,0|1,0,1]=4 78 B9R0.4 CC(CC(OCC=C)=O)=O M10027087P [0,2,0,0,0,0|0,1,0]=3 79 B7R1.1 CCC1=NC=CS1 M10138064P [1,0,0,1,0,0|1,0,0]=3 80 B7R1.1 CSC1=NC=CS1 M10068366P [1,0,0,1,0,0|2,0,0]=4 81 B7R1.1 ClCC1=CC=CS1 M10020165P [1,0,0,1,0,0|2,0,0]=4 82 B7R1.1 NCC1=NC=CS1 M10283798P [1,0,0,1,0,0|2,0,0]=4 83 B7R1.1 SCC1=CC=CS1 M10085524P [1,0,0,1,0,0|2,0,0]=4 84 B7R1.2 O=C1CC(CC1)=O M10058164P [1,0,0,1,0,0|1,0,0]=3 85 B7R1.2 O=C1CN(C)CC1 M10472463P [1,0,0,1,0,0|1,0,1]=4 86 B7R1.2 O=C1NC(CC1)=O M10004579P [1,0,0,1,0,0|2,0,0]=4 87 B7R1.3 O=C1CCNCC1 M10246538P [1,0,0,1,0,0|1,0,1]=4 88 B7R1.3 O=C1CCNCC1 M10247465P [1,0,0,1,0,0|1,0,1]=4 89 B7R1.3 O=C1CCNCC1 M10857977P [1,0,0,1,0,0|1,0,1]=4 90 B7R1.3 O=C1CCOCC1 M10179636P [1,0,0,1,0,0|1,0,1]=4 91 B7R1.3 O=C1CNCCC1 M10342345P [1,0,0,1,0,0|1,0,1]=4 92 B7R1.4 CC1=C(C)SC=C1 M11197216P [1,0,0,1,0,0|1,0,1]=4 93 B7R1.4 CC1=CCCC1=O M10027183P [1,0,0,1,0,0|0,0,2]=4 94 B7R1.4 O=C1C(C)CCC1 M10027182P [1,0,0,1,0,0|0,0,2]=4 95 B7R1.4 [Mn]C1=C(C)C=CC1 M10118086P [1,0,0,1,0,0|1,0,1]=4 96 B9R1.27 O=C1C(CC)C(CC1)=O M10021371P [0,1,0,1,0,0|2,0,0]=4 97 B9R1.11 BrCC(C1=CC=CS1)=O M10115924P [0,1,0,1,0,0|1,0,1]=4 98 B9R1.11 O=C(C1=CC=CS1)OC M10072317P [0,1,0,1,0,0|1,0,1]=4 99 B9R1.35 O=C(C1CC(CC1)=O)O M10002671P [0,1,0,1,0,0|2,0,0]=4 100 B9R1.35 O=C([C@@H]1CCC(O1)=O)O M10170449P [0,1,0,1,0,0|1,1,0]=4 101 B9R1.35 O=C([C@H]1CCC(O1)=O)O M10271394P [0,1,0,1,0,0|1,1,0]=4 102 B9R2.7 O=C1C2CC=CC2C1 M10121503P [0,0,0,2,0,0|1,0,0]=3