0 B7R1.2 CC1=CC=C(Br)O1 M10718133P [0,0,0,0,0,0|2,0,2]=4 1 B7R1.2 CC1OS(OC1)=O M10031271P [0,0,0,0,0,0|3,0,1]=4 2 B7R1.2 NC1=NC=C(C)O1 M10219349P [0,0,0,0,0,0|3,0,1]=4 3 B7R1.2 N[C@H]1COC(C1)=O M10174878P [0,0,0,0,0,0|3,0,1]=4 4 B7R1.2 O=C1CC(CC1)=O M10058164P [0,0,0,0,0,0|1,0,0]=1 5 B7R1.2 O=C1CN(C)CC1 M10472463P [0,0,0,0,0,0|3,0,0]=3 6 B7R1.2 O=C1N=C(N)SC1 M10014084P [0,0,0,0,0,0|3,0,0]=3 7 B7R1.2 O=C1N=C(N)SC1 M10040985P [0,0,0,0,0,0|3,0,0]=3 8 B7R1.2 O=C1NC(C)=CN1 M10028708P [0,0,0,0,0,0|3,0,1]=4 9 B7R1.2 O=C1NC(CC1)=O M10004579P [0,0,0,0,0,0|1,0,0]=1 10 B7R1.2 O=C1NCC(O1)=O M10040935P [0,0,0,0,0,0|1,0,0]=1 11 B7R1.2 O=C1OC(C)=CC1 M10015036P [0,0,0,0,0,0|1,0,1]=2 12 B7R1.2 O=C1OC(CO1)C M10003516P [0,0,0,0,0,0|2,0,1]=3 13 B7R1.2 O=C1OCC(Cl)O1 M10058922P [0,0,0,0,0,0|2,0,1]=3 14 B7R1.2 O=C1OCC(F)O1 M10694293P [0,0,0,0,0,0|2,0,1]=3 15 B7R1.2 O=C1OC[C@H](C)O1 M10258723P [0,0,0,0,0,0|2,0,1]=3 16 B7R1.2 O=C1OC[C@H](O)C1 M10299052P [0,0,0,0,0,0|2,0,2]=4 17 B6R1.2 CC1=NCCO1 M10027175P [1,0,0,0,0,0|2,0,1]=4 18 B6R1.2 NC1=NCCC1 M10108538P [1,0,0,0,0,0|2,0,1]=4 19 B6R1.2 O=C1CNCC1 M10002481P [1,0,0,0,0,0|2,0,0]=3 20 B6R1.2 O=C1CNCC1 M10057424P [1,0,0,0,0,0|2,0,0]=3 21 B6R1.2 O=C1NCNC1 M10035055P [1,0,0,0,0,0|2,0,1]=4 22 B6R1.2 O=C1NCNC1 M10140916P [1,0,0,0,0,0|2,0,1]=4 23 B6R1.2 O=C1NNC=N1 M10023357P [1,0,0,0,0,0|3,0,0]=4 24 B6R1.2 O=C1OCCO1 M10002484P [1,0,0,0,0,0|1,0,1]=3 25 B6R1.2 O=C1SCCN1 M10046694P [1,0,0,0,0,0|1,1,1]=4 26 B6R1.2 O=S1OCCO1 M10057276P [1,0,0,0,0,0|2,0,1]=4 27 B8R1.1 O=C1N[C@@H](CO)CC1 M10421051P [0,1,0,0,0,0|1,0,2]=4 28 B8R1.1 O=C1N[C@H](CBr)CC1 M10447477P [0,1,0,0,0,0|2,0,1]=4 29 B8R1.1 O=C1N[C@H](CN)CC1 M10768385P [0,1,0,0,0,0|2,0,1]=4 30 B8R1.1 O=C1N[C@H](CO)CC1 M10148902P [0,1,0,0,0,0|1,0,2]=4 31 B8R1.1 O=C1OCC(CO)O1 M10023416P [0,1,0,0,0,0|1,0,2]=4 32 B8R1.1 O=C1O[C@H](CO)CC1 M10218224P [0,1,0,0,0,0|0,0,2]=3 33 B8R1.18 O=C1CC(C)C(C)C1 M10207594P [0,1,0,0,0,0|2,0,1]=4 34 B8R1.18 O=C1NC(CN1C)=O M10016204P [0,1,0,0,0,0|2,0,0]=3 35 B8R1.18 O=C1OC(O)C(C)=C1 M10244090P [0,1,0,0,0,0|3,0,0]=4 36 B8R1.50 O=C1C(C(C)CC1)=O M10020173P [0,1,0,0,0,0|2,0,1]=4 37 B8R1.50 O=C1C=CC(N1C)=O M10023388P [0,1,0,0,0,0|1,0,2]=4 38 B8R1.50 O=C1CCC(N1Br)=O M10004790P [0,1,0,0,0,0|1,0,0]=2 39 B8R1.50 O=C1COC(C)=C1O M10160292P [0,1,0,0,0,0|3,0,0]=4 40 B8R1.51 O=C1CCS(C1)(=O)=O M10147341P [0,1,0,0,0,0|2,0,0]=3 41 B6R0.1 C\C=C\C(OC)=O M10156893P [0,0,1,0,0,0|3,0,0]=4 42 B6R0.1 O=C(OC=C)CCl M10186320P [0,0,1,0,0,0|2,0,0]=3 43 B6R0.1 O=C(OCC)CBr M10003242P [0,0,1,0,0,0|2,0,1]=4 44 B6R0.1 O=C(OCC)CN M10011247P [0,0,1,0,0,0|2,0,1]=4 45 B6R0.2 CC(CC(C)=O)=O M10123299P [0,0,1,0,0,0|1,0,0]=2 46 B6R0.2 CC(NC(N)=N)=O M10079352P [0,0,1,0,0,0|3,0,0]=4 47 B6R0.2 CC(OC(Br)C)=O M10242154P [0,0,1,0,0,0|1,0,1]=3 48 B6R0.2 O=C(Cl)C=C(C)C M10053608P [0,0,1,0,0,0|3,0,0]=4 49 B6R0.4 C#CCCC(O)=O M10083651P [0,0,1,0,0,0|1,0,1]=3 50 B6R0.4 C=CCCC(Cl)=O M10240332P [0,0,1,0,0,0|2,0,0]=3 51 B6R0.4 C=C\C=C\C(O)=O M10016890P [0,0,1,0,0,0|1,0,2]=4 52 B6R0.4 CC(C)CCC=O M10027096P [0,0,1,0,0,0|2,0,1]=4 53 B6R0.4 CC(CCC=C)=O M10003621P [0,0,1,0,0,0|2,0,0]=3 54 B6R0.4 CC(CCCBr)=O M10058337P [0,0,1,0,0,0|2,0,1]=4 55 B6R0.4 O=C(Cl)CCCBr M10023246P [0,0,1,0,0,0|2,0,1]=4 56 B6R0.4 O=C(O)CCC#N M10140304P [0,0,1,0,0,0|1,0,1]=3 57 B6R0.4 O=C(O)CCCCl M10016891P [0,0,1,0,0,0|1,0,1]=3 58 B6R0.4 O=C(O)CCOC M10045190P [0,0,1,0,0,0|2,0,0]=3 59 B6R0.4 O=C(O)CCSC M10017612P [0,0,1,0,0,0|2,0,0]=3 60 B6R0.4 O=C(O)COCC M10016894P [0,0,1,0,0,0|2,0,1]=4 61 B6R0.4 O=CCC[N+]([O-])=O M10302523P [0,0,1,0,0,0|1,0,1]=3 62 B6R0.4 O=[Sn](CCCC)O M10042008P [0,0,1,0,0,0|2,0,1]=4 63 B8R1.3 O=C1CCC(C)=NN1 M10069197P [0,0,0,0,0,1|2,0,0]=3 64 B8R1.3 O=C1CNC(CN1)=O M10003356P [0,0,0,0,0,1|2,0,0]=3 65 B8R1.4 O=C1CC(COC1)=O M10331423P [0,0,0,0,0,1|1,0,0]=2 66 B8R1.4 O=C1CC(CSC1)=O M10096924P [0,0,0,0,0,1|1,0,0]=2 67 B8R1.4 O=C1CN(C)CCC1 M10077248P [0,0,0,0,0,1|3,0,0]=4 68 B8R1.4 O=C1NCCC(O)C1 M10882636P [0,0,0,0,0,1|1,0,2]=4 69 B8R1.4 O=C1NCCN(C)C1 M10224934P [0,0,0,0,0,1|3,0,0]=4 70 B8R1.4 O=C1NCC[C@H](O)C1 M10882637P [0,0,0,0,0,1|1,0,2]=4 71 B5R0.1 C=C(OCC)C M10023218P [1,0,1,0,0,0|1,0,1]=4 72 B5R0.1 CC(CCCl)=O M10089400P [1,0,1,0,0,0|2,0,0]=4 73 B5R0.1 CC(COC)=O M10081509P [1,0,1,0,0,0|2,0,0]=4 74 B5R0.1 CC(OC=O)=O M10041862P [1,0,1,0,0,0|0,0,0]=2 75 B5R0.1 CC(OCC)=N M10041195P [1,0,1,0,0,0|1,0,1]=4 76 B5R0.1 C\C=C\C(Cl)=O M10016774P [1,0,1,0,0,0|2,0,0]=4 77 B5R0.1 C\C=C\C(Cl)=O M10115520P [1,0,1,0,0,0|2,0,0]=4 78 B5R0.1 ClCOC(C)=O M10016791P [1,0,1,0,0,0|1,0,1]=4 79 B5R0.1 O=C(O)CCF M10011311P [1,0,1,0,0,0|1,0,0]=3 80 B5R0.1 O=C(O)CCO M10012525P [1,0,1,0,0,0|0,0,1]=3 81 B5R0.2 CCCOC=C M10020114P [1,0,1,0,0,0|1,0,1]=4 82 B5R0.2 O=CNNC=O M10016977P [1,0,1,0,0,0|2,0,0]=4 83 B5R0.3 C=CC(NC)=O M10028554P [1,0,1,0,0,0|2,0,0]=4 84 B5R0.3 CCC(C=O)=C M10023101P [1,0,1,0,0,0|1,0,0]=3 85 B5R0.3 CCC(CBr)=O M10021171P [1,0,1,0,0,0|1,0,1]=4 86 B5R0.3 CCC(NC)=O M10028553P [1,0,1,0,0,0|1,0,1]=4 87 B5R0.3 O=C(OC)C=O M10023106P [1,0,1,0,0,0|1,0,0]=3 88 B5R0.3 O=C(OC)CBr M10002471P [1,0,1,0,0,0|1,0,1]=4 89 B5R0.3 O=C(OC)OC M10016226P [1,0,1,0,0,0|1,0,1]=4 90 B5R1.1 O1C=NN=C1 M10007544P [2,0,0,0,0,0|2,0,0]=4 91 B5R1.1 O1NCCC1 M10012567P [2,0,0,0,0,0|1,0,1]=4 92 B7R0.2 O=C(Cl)OC(C)CC M10149751P [0,1,1,0,0,0|1,0,1]=4 93 B7R0.3 O=C(OC)CCC=O M10126962P [0,1,1,0,0,0|2,0,0]=4 94 B7R0.3 O=C(OCC=C)CCl M10049025P [0,1,1,0,0,0|2,0,0]=4 95 B7R0.5 CC(Br)C(OCC)=O M10013455P [0,1,1,0,0,0|1,0,1]=4 96 B7R0.5 CC(C)C(OCCl)=O M10342363P [0,1,1,0,0,0|1,0,1]=4 97 B7R0.5 CC(S)C(OCC)=O M10162587P [0,1,1,0,0,0|1,0,1]=4 98 B7R0.5 C[C@@H](Cl)C(OCC)=O M10248724P [0,1,1,0,0,0|1,0,1]=4 99 B7R0.5 C[C@@H](O)C(OCC)=O M10109851P [0,1,1,0,0,0|1,0,1]=4 100 B7R0.7 CCCC(OCCl)=O M10221194P [0,1,1,0,0,0|1,0,1]=4 101 B7R0.7 C\C=C\C(OCC)=O M10116065P [0,1,1,0,0,0|2,0,0]=4 102 B7R0.7 O=C(OCC)CCS M10076471P [0,1,1,0,0,0|1,0,1]=4 103 B7R0.7 O=C(OCC)\C=C\I M10215517P [0,1,1,0,0,0|2,0,0]=4 104 B7R0.7 O=C(OCCl)OCC M10226366P [0,1,1,0,0,0|1,0,1]=4 105 B7R0.16 CC(C(N)C(O)=O)=O M10092972P [0,1,1,0,0,0|2,0,0]=4 106 B7R0.4 O=C(O)CCCC#N M10239045P [0,1,1,0,0,0|1,0,1]=4 107 B7R0.4 O=C(O)CCCCO M10123275P [0,1,1,0,0,0|0,0,2]=4 108 B7R0.4 O=C(O)CCOCC M10062024P [0,1,1,0,0,0|1,0,1]=4 109 B7R0.4 O=C(O)CNCCN M10183221P [0,1,1,0,0,0|1,0,1]=4 110 B7R0.4 O=C(O)COCCC M10276951P [0,1,1,0,0,0|1,0,1]=4 111 B7R0.6 CC(CCC([O-])=O)=O M10183682P [0,1,1,0,0,0|0,0,1]=3 112 B7R0.6 C[S+](CCC(O)=O)C M10062116P [0,1,1,0,0,0|2,0,0]=4 113 B7R0.6 O=C(C)CCC([O-])=O M10015062P [0,1,1,0,0,0|0,0,1]=3 114 B7R0.6 O=C(O)CCN(C)C M10133339P [0,1,1,0,0,0|2,0,0]=4 115 B7R0.6 O=C(O)\C=C/C(N)=O M10014102P [0,1,1,0,0,0|0,0,2]=4 116 B7R0.6 O=C(O)\C=C/C([O-])=O M10251006P [0,1,1,0,0,0|0,0,2]=4 117 B7R0.6 O=C([O-])CCC([O-])=O M10041518P [0,1,1,0,0,0|0,0,1]=3 118 B7R0.6 O=C([O-])CCC([O-])=O M10384426P [0,1,1,0,0,0|0,0,1]=3 119 B7R0.6 O=C([O-])\C=C/C(O)=O M10018448P [0,1,1,0,0,0|0,0,2]=4 120 B7R1.1 O=CC1=NC=CO1 M10412277P [1,1,0,0,0,0|1,0,1]=4 121 B7R1.1 O=CC1OCCC1 M10109701P [1,1,0,0,0,0|0,0,2]=4 122 B7R1.4 C=C1CCOC1=O M10013811P [1,1,0,0,0,0|0,0,2]=4 123 B7R1.4 CC1=CCCC1=O M10027183P [1,1,0,0,0,0|1,0,0]=3 124 B7R1.4 O=C1C(Br)CCC1 M10172483P [1,1,0,0,0,0|1,0,1]=4 125 B7R1.4 O=C1C(C)CCC1 M10027182P [1,1,0,0,0,0|1,0,1]=4 126 B7R1.4 O=C1C(Cl)CCC1 M10018599P [1,1,0,0,0,0|1,0,1]=4 127 B7R1.4 O=C1NCCC1O M10135336P [1,1,0,0,0,0|1,0,1]=4 128 B7R1.4 O=C1NCC[C@@H]1N M10060287P [1,1,0,0,0,0|1,0,1]=4 129 B7R1.4 O=C1NCC[C@@H]1N M10288485P [1,1,0,0,0,0|1,0,1]=4 130 B7R1.4 O=C1NCC[C@H]1O M10468150P [1,1,0,0,0,0|1,0,1]=4 131 B9R1.34 O=C1CC(CC(C)C1)=O M10062153P [0,1,0,0,0,1|1,0,0]=3 132 B9R1.21 O=CC1=CC=C(C=O)O1 M10021390P [0,2,0,0,0,0|0,0,2]=4 133 B9R1.35 O=C(C1CC(CC1)=O)O M10002671P [0,2,0,0,0,0|1,0,1]=4 134 B9R1.35 O=C([C@@H]1CCC(O1)=O)O M10170449P [0,2,0,0,0,0|0,0,1]=3 135 B9R1.35 O=C([C@H]1CCC(O1)=O)O M10271394P [0,2,0,0,0,0|0,0,1]=3 136 B9R1.37 O=C1C(Cl)=C(Cl)C(O1)=O M10027260P [0,2,0,0,0,0|0,0,2]=4 137 B9R1.38 O=C1NC(C(O1)(C)C)=O M10018657P [0,2,0,0,0,0|2,0,0]=4 138 B9R1.27 O=C1C(CC)C(CC1)=O M10021371P [0,2,0,0,0,0|1,0,0]=3 139 B9R1.27 O=C1CCC(N1CO)=O M12278742P [0,2,0,0,0,0|1,0,0]=3 140 B7R1.18 O=C(C1NCC1)O M10164146P [0,0,1,1,0,0|1,0,1]=4 141 B7R1.18 O=C(C1OCC1)O M10006194P [0,0,1,1,0,0|0,0,2]=4 142 B7R1.18 O=C([C@@H]1NCC1)O M10110131P [0,0,1,1,0,0|1,0,1]=4 143 B7R1.18 O=C([C@H]1NCC1)O M10875068P [0,0,1,1,0,0|1,0,1]=4 144 B9R2.25 O=C1OC(C2CC12)=O M10078252P [0,0,0,1,0,1|0,0,0]=2 145 B5R0.5 CC(C(C)=C)=O M10021132P [0,0,1,0,1,0|1,0,0]=3 146 B5R0.5 CC(C([O-])=O)=C M10077430P [0,0,1,0,1,0|2,0,0]=4 147 B5R0.5 CC(C([O-])=O)=C M10097056P [0,0,1,0,1,0|2,0,0]=4 148 B5R0.5 O=C(C)C([O-])=O M10204094P [0,0,1,0,1,0|1,0,0]=3 149 B5R0.5 O=C(O)C(O)=O M10094285P [0,0,1,0,1,0|2,0,0]=4 150 B5R0.5 O=C([O-])C([O-])=O M10013989P [0,0,1,0,1,0|2,0,0]=4 151 B5R0.5 O=C([O-])C([O-])=O M10082392P [0,0,1,0,1,0|2,0,0]=4 152 B5R0.5 O=C([O-])C([O-])=O M10193068P [0,0,1,0,1,0|2,0,0]=4 153 B5R0.5 O=C([O-])C([O-])=O M10211923P [0,0,1,0,1,0|2,0,0]=4 154 B5R0.5 O=C([O-])C([O-])=O M10271683P [0,0,1,0,1,0|2,0,0]=4 155 B5R1.2 O=C1CNC1 M10150179P [1,0,0,0,1,0|1,0,1]=4 156 B5R1.2 O=C1CSC1 M10173528P [1,0,0,0,1,0|1,0,1]=4 157 B5R1.2 O=C1NCC1 M10023349P [1,0,0,0,1,0|1,0,0]=3