0 B6R0.2 CC(CC(C)=O)=O M10123299P [0,0,0,0,0,0|1,0,0]=1 1 B6R0.2 CC(N)CC(O)=O M10187780P [0,0,0,0,0,0|3,0,1]=4 2 B6R0.2 CC(NC(N)=N)=O M10079352P [0,0,0,0,0,0|3,0,0]=3 3 B6R0.2 CC(O)CC([O-])=O M10005658P [0,0,0,0,0,0|2,0,2]=4 4 B6R0.2 CC(OC(Br)C)=O M10242154P [0,0,0,0,0,0|1,0,1]=2 5 B6R0.2 C[C@@H](O)CC(O)=O M10016803P [0,0,0,0,0,0|2,0,2]=4 6 B6R0.2 C[C@@H](O)CC([O-])=O M10125260P [0,0,0,0,0,0|2,0,2]=4 7 B6R0.2 C[C@H](N)CC(O)=O M10057573P [0,0,0,0,0,0|3,0,1]=4 8 B6R0.2 C[C@H](N)CC(O)=O M10302309P [0,0,0,0,0,0|3,0,1]=4 9 B6R0.2 C[C@H](O)CC(O)=O M10084600P [0,0,0,0,0,0|2,0,2]=4 10 B6R0.2 C[S+](CC([O-])=O)C M10065707P [0,0,0,0,0,0|4,0,0]=4 11 B6R0.2 O=C(Cl)C=C(C)C M10053608P [0,0,0,0,0,0|3,0,0]=3 12 B6R0.2 O=C(N)CC(N)=N M10224228P [0,0,0,0,0,0|4,0,0]=4 13 B6R0.2 O=C([O-])CN(C)C M10154757P [0,0,0,0,0,0|4,0,0]=4 14 B5R0.1 C=C(OCC)C M10023218P [1,0,0,0,0,0|1,0,1]=3 15 B5R0.1 C=COC(C)C M10023217P [1,0,0,0,0,0|1,0,2]=4 16 B5R0.1 CC(CC#N)=O M10044340P [1,0,0,0,0,0|2,0,1]=4 17 B5R0.1 CC(CCCl)=O M10089400P [1,0,0,0,0,0|2,0,1]=4 18 B5R0.1 CC(COC)=O M10081509P [1,0,0,0,0,0|2,0,0]=3 19 B5R0.1 CC(OC=O)=O M10041862P [1,0,0,0,0,0|0,0,0]=1 20 B5R0.1 CC(OCC)=N M10041195P [1,0,0,0,0,0|1,0,1]=3 21 B5R0.1 CSCS(C)=O M10220911P [1,0,0,0,0,0|3,0,0]=4 22 B5R0.1 C[SiH](OCC)C M10133661P [1,0,0,0,0,0|1,1,1]=4 23 B5R0.1 C\C=C\C(Cl)=O M10016774P [1,0,0,0,0,0|2,0,0]=3 24 B5R0.1 C\C=C\C(Cl)=O M10115520P [1,0,0,0,0,0|2,0,0]=3 25 B5R0.1 ClCOC(C)=O M10016791P [1,0,0,0,0,0|1,0,1]=3 26 B5R0.1 NC(OCC)=N M10213773P [1,0,0,0,0,0|2,0,1]=4 27 B5R0.1 O=C(Cl)OCCl M10173503P [1,0,0,0,0,0|2,0,1]=4 28 B5R0.1 O=C([O-])CNC M10061947P [1,0,0,0,0,0|3,0,0]=4 29 B5R0.1 O=NOC(C)C M10013647P [1,0,0,0,0,0|2,0,1]=4 30 B7R0.2 CC(N)CC(OC)=O M10083532P [0,1,0,0,0,0|2,0,1]=4 31 B7R0.2 CC(O)CC(OC)=O M10031579P [0,1,0,0,0,0|1,0,2]=4 32 B7R0.2 C[C@@H](N)CC(OC)=O M10650212P [0,1,0,0,0,0|2,0,1]=4 33 B7R0.2 O=C(Cl)OC(C)CC M10149751P [0,1,0,0,0,0|2,0,1]=4 34 B7R0.2 O=C(NC(C)C)CBr M10460688P [0,1,0,0,0,0|2,0,1]=4 35 B7R0.2 O=C(NC(C)C)CN M10428027P [0,1,0,0,0,0|2,0,1]=4 36 B7R0.2 O=C(OC(C)C)CCl M10003254P [0,1,0,0,0,0|1,0,1]=3 37 B7R0.2 O=C(OC)C[N+]([O-])=O M10044460P [0,1,0,0,0,0|3,0,0]=4 38 B7R0.2 OCC(OC(C)C)=O M10016659P [0,1,0,0,0,0|1,0,1]=3 39 B7R0.9 CC(CC(C)(S)C)=O M10163133P [0,1,0,0,0,0|1,1,1]=4 40 B7R0.16 CC(C(N)C(O)=O)=O M10092972P [0,1,0,0,0,0|2,0,0]=3 41 B7R0.16 O=C(O)C(C)C(O)=O M10012870P [0,1,0,0,0,0|3,0,0]=4 42 B7R0.16 O=C(O)C(O)C(O)=O M10001299P [0,1,0,0,0,0|3,0,0]=4 43 B7R1.2 CC1=CC=C(Br)O1 M10718133P [0,0,0,1,0,0|2,0,1]=4 44 B7R1.2 CC1=CSC(C)=C1 M10017342P [0,0,0,1,0,0|2,1,0]=4 45 B7R1.2 CC1=NN=C(C)N1 M10104063P [0,0,0,1,0,0|3,0,0]=4 46 B7R1.2 NC1=NC=C(C)O1 M10219349P [0,0,0,1,0,0|3,0,0]=4 47 B7R1.2 O=C1CC(CC1)=O M10058164P [0,0,0,1,0,0|1,0,0]=2 48 B7R1.2 O=C1CN(C)CC1 M10472463P [0,0,0,1,0,0|3,0,0]=4 49 B7R1.2 O=C1N=C(N)SC1 M10014084P [0,0,0,1,0,0|2,1,0]=4 50 B7R1.2 O=C1N=C(N)SC1 M10040985P [0,0,0,1,0,0|2,1,0]=4 51 B7R1.2 O=C1NC(C)=CN1 M10028708P [0,0,0,1,0,0|3,0,0]=4 52 B7R1.2 O=C1NC(CC1)=O M10004579P [0,0,0,1,0,0|1,0,0]=2 53 B7R1.2 O=C1NCC(O1)=O M10040935P [0,0,0,1,0,0|1,0,0]=2 54 B7R1.2 O=C1OC(C)=CC1 M10015036P [0,0,0,1,0,0|1,0,0]=2 55 B7R1.2 O=C1OC(CO1)C M10003516P [0,0,0,1,0,0|2,0,1]=4 56 B7R1.2 O=C1OCC(Cl)O1 M10058922P [0,0,0,1,0,0|2,0,1]=4 57 B7R1.2 O=C1OCC(F)O1 M10694293P [0,0,0,1,0,0|2,0,1]=4 58 B7R1.2 O=C1OC[C@H](C)O1 M10258723P [0,0,0,1,0,0|2,0,1]=4 59 B5R0.5 C=C(F)C(O)=O M10010638P [0,0,0,0,1,0|2,0,1]=4 60 B5R0.5 CC(C(C)=C)=O M10021132P [0,0,0,0,1,0|1,0,0]=2 61 B5R0.5 CC(C([O-])=O)=C M10077430P [0,0,0,0,1,0|2,0,0]=3 62 B5R0.5 CC(C([O-])=O)=C M10097056P [0,0,0,0,1,0|2,0,0]=3 63 B5R0.5 CC(C)C([O-])=O M10209916P [0,0,0,0,1,0|2,0,1]=4 64 B5R0.5 CC(F)C(O)=O M10083620P [0,0,0,0,1,0|2,0,1]=4 65 B5R0.5 C[C@@H](Cl)C(Cl)=O M12278061P [0,0,0,0,1,0|2,0,1]=4 66 B5R0.5 C[C@@H](Cl)C(O)=O M10106671P [0,0,0,0,1,0|2,0,1]=4 67 B5R0.5 C[C@@H](O)C(O)=O M10114112P [0,0,0,0,1,0|1,0,2]=4 68 B5R0.5 C[C@H](Br)C(O)=O M10217830P [0,0,0,0,1,0|2,0,1]=4 69 B5R0.5 O=C(C)C([O-])=O M10204094P [0,0,0,0,1,0|1,0,0]=2 70 B5R0.5 O=C(O)C(O)=O M10094285P [0,0,0,0,1,0|2,0,0]=3 71 B5R0.5 O=C([O-])C([O-])=O M10013989P [0,0,0,0,1,0|2,0,0]=3 72 B5R0.5 O=C([O-])C([O-])=O M10082392P [0,0,0,0,1,0|2,0,0]=3 73 B5R0.5 O=C([O-])C([O-])=O M10193068P [0,0,0,0,1,0|2,0,0]=3 74 B5R0.5 O=C([O-])C([O-])=O M10211923P [0,0,0,0,1,0|2,0,0]=3 75 B5R0.5 O=C([O-])C([O-])=O M10271683P [0,0,0,0,1,0|2,0,0]=3 76 B5R0.5 OC(C)C([O-])=O M10140216P [0,0,0,0,1,0|1,0,2]=4 77 B5R0.5 OC(C)C([O-])=O M10189588P [0,0,0,0,1,0|1,0,2]=4 78 B5R0.5 [O-]C(C)C([O-])=O M10249277P [0,0,0,0,1,0|1,0,2]=4 79 B7R0.6 CC(C)=CC=C(C)C M10020099P [0,0,0,0,0,1|3,0,0]=4 80 B7R0.6 CC(CCC([O-])=O)=O M10183682P [0,0,0,0,0,1|2,0,0]=3 81 B7R0.6 CC(\C=C\N(C)C)=O M10047810P [0,0,0,0,0,1|3,0,0]=4 82 B7R0.6 O=C(C)CCC([O-])=O M10015062P [0,0,0,0,0,1|2,0,0]=3 83 B7R0.6 O=C(Cl)OCC(C)C M10013714P [0,0,0,0,0,1|2,0,1]=4 84 B7R0.6 O=C(O)\C=C/C(N)=O M10014102P [0,0,0,0,0,1|3,0,0]=4 85 B7R0.6 O=C(O)\C=C/C([O-])=O M10251006P [0,0,0,0,0,1|3,0,0]=4 86 B7R0.6 O=C([O-])C#CC([O-])=O M10023271P [0,0,0,0,0,1|3,0,0]=4 87 B7R0.6 O=C([O-])CCC([O-])=O M10041518P [0,0,0,0,0,1|3,0,0]=4 88 B7R0.6 O=C([O-])CCC([O-])=O M10384426P [0,0,0,0,0,1|3,0,0]=4 89 B7R0.6 O=C([O-])\C=C/C(O)=O M10018448P [0,0,0,0,0,1|3,0,0]=4 90 B4R0.1 C=C(C)C=O M10001153P [2,0,0,0,0,0|1,0,0]=3 91 B4R0.1 C=CC([O-])=O M10105582P [2,0,0,0,0,0|1,0,1]=4 92 B4R0.1 C=CC([O-])=O M10132485P [2,0,0,0,0,0|1,0,1]=4 93 B4R0.1 CC(C)=CBr M10050220P [2,0,0,0,0,0|2,0,0]=4 94 B4R0.1 CC(CCl)=O M10001162P [2,0,0,0,0,0|1,0,1]=4 95 B4R0.1 CC(CN)=O M10110205P [2,0,0,0,0,0|1,0,1]=4 96 B4R0.1 CC(SC)=O M10032388P [2,0,0,0,0,0|0,1,0]=3 97 B4R0.1 CCC([O-])=O M10205103P [2,0,0,0,0,0|1,0,1]=4 98 B4R0.1 C[SiH](OC)C M10152986P [2,0,0,0,0,0|1,1,0]=4 99 B4R0.1 C\C(Br)=C\C M12004205P [2,0,0,0,0,0|1,0,0]=3 100 B4R0.1 O=C(C)C=C M10001161P [2,0,0,0,0,0|0,0,1]=3 101 B4R0.2 C(NCC)=O M10016925P [2,0,0,0,0,0|1,0,1]=4 102 B4R0.2 C\C=C\C=O M10004592P [2,0,0,0,0,0|1,0,0]=3 103 B4R0.2 C\C=C\OC M10103777P [2,0,0,0,0,0|2,0,0]=4 104 B6R0.1 C=CC(OCC)=O M10186126P [1,1,0,0,0,0|0,0,2]=4 105 B6R0.1 CC#CC(OC)=O M10179372P [1,1,0,0,0,0|1,0,1]=4 106 B6R0.1 C\C=C\C(OC)=O M10156893P [1,1,0,0,0,0|1,0,0]=3 107 B6R0.1 O=C(C#N)OCC M10016649P [1,1,0,0,0,0|0,0,2]=4 108 B6R0.1 O=C(OC=C)CCl M10186320P [1,1,0,0,0,0|0,0,1]=3 109 B6R0.1 O=C(OCC)CBr M10003242P [1,1,0,0,0,0|0,0,1]=3 110 B6R0.1 O=C(OCC)CN M10011247P [1,1,0,0,0,0|0,0,1]=3 111 B6R0.3 CC(C(S)CC)=O M10426560P [1,1,0,0,0,0|1,0,1]=4 112 B6R0.3 CC(N(C)C=C)=O M10052111P [1,1,0,0,0,0|1,0,1]=4 113 B6R0.3 C\C(C(O)=O)=C\C M10014266P [1,1,0,0,0,0|2,0,0]=4 114 B6R0.4 CC(CCC=C)=O M10003621P [1,1,0,0,0,0|1,0,1]=4 115 B6R0.4 CC(CCCBr)=O M10058337P [1,1,0,0,0,0|1,0,1]=4 116 B6R0.4 CC(NCCO)=O M10005418P [1,1,0,0,0,0|1,0,1]=4 117 B6R0.4 CC(OCCO)=O M10013697P [1,1,0,0,0,0|0,0,1]=3 118 B6R0.4 CC\C=C\C(O)=O M10016889P [1,1,0,0,0,0|2,0,0]=4 119 B6R0.4 CC\C=C\C([O-])=O M12008293P [1,1,0,0,0,0|2,0,0]=4 120 B6R0.4 O=C(Cl)OCCCl M10016902P [1,1,0,0,0,0|1,0,1]=4 121 B6R0.4 O=C(O)COCC M10016894P [1,1,0,0,0,0|1,0,1]=4 122 B6R0.4 O=C(O)\C=C\CBr M10127900P [1,1,0,0,0,0|2,0,0]=4 123 B6R0.7 CC(C(C)(O)C)=O M10004002P [0,1,0,0,1,0|0,0,2]=4 124 B8R0.9 CC(CCC(OC)=O)=O M10016714P [0,1,0,0,0,1|1,0,0]=3 125 B8R0.9 O=C(O)CCC(CN)=O M10003359P [0,1,0,0,0,1|2,0,0]=4 126 B8R0.9 O=C(O)\C=C\C(OC)=O M10047363P [0,1,0,0,0,1|2,0,0]=4 127 B8R0.9 O=C(OC)CCC(Cl)=O M10031630P [0,1,0,0,0,1|2,0,0]=4 128 B8R0.23 C=C(NC(C)=O)C(O)=O M10074141P [0,1,0,0,0,1|2,0,0]=4 129 B8R0.29 CC(NOC(C)=O)(C)C M10999973P [0,1,0,0,0,1|1,0,1]=4 130 B8R0.5 CC(OC(C)=O)COC M10497504P [0,2,0,0,0,0|0,0,2]=4 131 B8R0.19 C=CC(OC(C=C)=O)=O M10183983P [0,2,0,0,0,0|0,0,2]=4 132 B8R0.19 CCC(CC(CC)=O)=O M10105284P [0,2,0,0,0,0|1,0,0]=3 133 B8R0.19 O=C(OC(CCl)=O)CCl M10013666P [0,2,0,0,0,0|0,0,0]=2 134 B8R0.24 O=C(OC(C)(C)C)CN M10092202P [0,2,0,0,0,0|1,0,1]=4 135 B8R0.24 O=C(OC(C)(C)C)CO M10254830P [0,2,0,0,0,0|1,0,1]=4 136 B8R0.24 O=C(OC(C)(C)C)NC M10140415P [0,2,0,0,0,0|1,0,1]=4 137 B8R0.18 O=C(C)C(CC)C([O-])=O M10207310P [0,2,0,0,0,0|2,0,0]=4 138 B6R1.2 CC1=NCCO1 M10027175P [1,0,0,1,0,0|1,0,1]=4 139 B6R1.2 O=C1CNCC1 M10002481P [1,0,0,1,0,0|2,0,0]=4 140 B6R1.2 O=C1CNCC1 M10057424P [1,0,0,1,0,0|2,0,0]=4 141 B6R1.2 O=C1OCCO1 M10002484P [1,0,0,1,0,0|1,0,1]=4 142 B8R1.3 O=C1CCC(C)=NN1 M10069197P [0,0,0,1,0,1|2,0,0]=4 143 B8R1.3 O=C1CNC(CN1)=O M10003356P [0,0,0,1,0,1|2,0,0]=4 144 B8R1.23 O=C(C1CC(N1)=O)O M10633721P [0,0,0,1,0,1|2,0,0]=4 145 B8R1.1 CSC1=CC=C(C)O1 M10125717P [0,1,0,1,0,0|2,0,0]=4 146 B8R1.1 O=C1O[C@H](CO)CC1 M10218224P [0,1,0,1,0,0|0,0,2]=4 147 B8R1.4 O=C1CC(COC1)=O M10331423P [0,1,0,1,0,0|1,0,0]=3 148 B8R1.4 O=C1CC(CSC1)=O M10096924P [0,1,0,1,0,0|1,0,0]=3 149 B8R1.18 O=C1NC(CN1C)=O M10016204P [0,1,0,1,0,0|1,0,0]=3 150 B8R1.18 SC1=C(C)OC(C)=C1 M10284510P [0,1,0,1,0,0|1,1,0]=4 151 B8R1.50 O=C1CCC(N1Br)=O M10004790P [0,1,0,1,0,0|1,0,0]=3 152 B8R1.50 O=C1COC(C)=C1O M10160292P [0,1,0,1,0,0|1,0,1]=4 153 B8R0.28 CC(CCC=C(C)C)=O M10003758P [0,0,0,0,0,2|2,0,0]=4 154 B8R0.28 CC(OCC=C(C)C)=O M10028659P [0,0,0,0,0,2|1,0,0]=3 155 B8R0.28 O=C(O)COCC(O)=O M10003764P [0,0,0,0,0,2|2,0,0]=4