0 B6R0.2 CC(=O)\C=C(\C)[O-] HY-W020952 [0,0,0,0,0,0|2,0,0]=2 1 B6R0.2 CC(C)CC(=O)O HY-W012980 [0,0,0,0,0,0|2,0,2]=4 2 B6R0.2 CC(C)CC(N)=O HY-B1229 [0,0,0,0,0,0|2,0,2]=4 3 B6R0.2 CC(C)C[13C](=O)O HY-W012980S1 [0,0,0,0,0,0|2,0,2]=4 4 B6R0.2 CC(N)CC(=O)O HY-W008833 [0,0,0,0,0,0|3,0,1]=4 5 B6R0.2 CC(O)CC(=O)O HY-113378 [0,0,0,0,0,0|3,0,1]=4 6 B6R0.2 CN(C)CC(=O)O HY-W001158 [0,0,0,0,0,0|3,0,1]=4 7 B6R0.2 CN(C)CC(=O)O HY-Y0511 [0,0,0,0,0,0|3,0,1]=4 8 B6R0.2 CN(C)CC(=O)O HY-Y0511R [0,0,0,0,0,0|3,0,1]=4 9 B6R0.2 C[C@@H](O)CC(=O)O HY-W051723 [0,0,0,0,0,0|3,0,1]=4 10 B6R0.2 C[C@H](N)CC(=O)O HY-W001210 [0,0,0,0,0,0|3,0,1]=4 11 B6R0.2 C[C@H](O)CC(=O)O HY-W050031 [0,0,0,0,0,0|3,0,1]=4 12 B6R0.2 O=C(O)[Ca]C(=O)O HY-Y0262D [0,0,0,0,0,0|4,0,0]=4 13 B6R0.2 O=C(O)[SnH2]C(=O)O HY-W105856 [0,0,0,0,0,0|4,0,0]=4 14 B6R0.2 O=C([O-])CC(=O)[O-] HY-W283726 [0,0,0,0,0,0|4,0,0]=4 15 B5R0.1 C=CCC(=O)O HY-W068697 [1,0,0,0,0,0|2,0,0]=3 16 B5R0.1 CC(=O)CCO HY-W051287 [1,0,0,0,0,0|2,0,1]=4 17 B5R0.1 CC(=O)NCO HY-W024564 [1,0,0,0,0,0|2,0,1]=4 18 B5R0.1 CC(C)=CC=O HY-34409 [1,0,0,0,0,0|1,0,1]=3 19 B5R0.1 CCCC(N)=O HY-W088319 [1,0,0,0,0,0|2,0,1]=4 20 B5R0.1 CCOC(N)=O HY-B1207 [1,0,0,0,0,0|1,0,1]=3 21 B5R0.1 CCOC(N)=O HY-B1207R [1,0,0,0,0,0|1,0,1]=3 22 B5R0.1 CN(C)CC=O HY-100061A [1,0,0,0,0,0|2,0,1]=4 23 B5R0.1 CNCC(=O)O HY-101037 [1,0,0,0,0,0|3,0,0]=4 24 B5R0.1 CNCC(=O)O HY-101037R [1,0,0,0,0,0|3,0,0]=4 25 B5R0.1 COCC(=O)O HY-Y1009 [1,0,0,0,0,0|3,0,0]=4 26 B5R0.1 C\C=C\C(=O)O HY-Y1644 [1,0,0,0,0,0|2,0,0]=3 27 B7R0.2 CC(=O)CC(=O)O[Na] HY-112540B [0,1,0,0,0,0|3,0,0]=4 28 B7R0.2 CCC(C)OC(C)=O HY-158759 [0,1,0,0,0,0|0,0,2]=3 29 B7R0.2 COC(=O)CC(C)=O HY-Y1298 [0,1,0,0,0,0|2,0,0]=3 30 B7R0.2 [C@@H](C)(O)CC(=O)OC HY-W012885 [0,1,0,0,0,0|2,0,1]=4 31 B7R0.2 [C@H](C)(O)CC(=O)OC HY-W010507 [0,1,0,0,0,0|2,0,1]=4 32 B7R0.2 [Li]OC(=O)CC(C)=O HY-112540A [0,1,0,0,0,0|3,0,0]=4 33 B7R1.2 CC1=CC(=O)CC1 HY-W013014 [0,0,0,1,0,0|1,0,1]=3 34 B7R1.2 CC1=CCC(=O)O1 HY-N0548 [0,0,0,1,0,0|0,0,0]=1 35 B7R1.2 CC1=CN=C(N)S1 HY-WAA0093 [0,0,0,1,0,0|2,1,0]=4 36 B7R1.2 CC1=NN(C)C=C1 HY-W002168 [0,0,0,1,0,0|3,0,0]=4 37 B7R1.2 CC1CCC(=O)O1 HY-W015938 [0,0,0,1,0,0|0,0,2]=3 38 B7R1.2 O=C1C=CC(=O)N1 HY-W007324 [0,0,0,1,0,0|2,0,1]=4 39 B7R1.2 O=C1CCC(=O)C1 HY-75355 [0,0,0,1,0,0|2,0,0]=3 40 B7R1.2 O=C1CCC(=O)N1 HY-41877 [0,0,0,1,0,0|2,0,0]=3 41 B7R1.2 O=C1CCC(=O)O1 HY-79369 [0,0,0,1,0,0|1,0,0]=2 42 B7R1.2 O=C1CNC(=S)N1 HY-W012896 [0,0,0,1,0,0|3,0,0]=4 43 B7R1.2 O=C1CSC(=O)N1 HY-59272 [0,0,0,1,0,0|3,0,0]=4 44 B7R1.2 O=C1CSC(=S)N1 HY-W010365 [0,0,0,1,0,0|3,0,0]=4 45 B5R0.5 C=C(C)C(N)=O HY-W020027 [0,0,0,0,1,0|1,0,0]=2 46 B5R0.5 CC(=O)C(=O)O HY-Y0781 [0,0,0,0,1,0|2,0,0]=3 47 B5R0.5 CC(=O)C(=O)O HY-Y0781R [0,0,0,0,1,0|2,0,0]=3 48 B5R0.5 CC(=O)N(C)C HY-W042416 [0,0,0,0,1,0|1,0,1]=3 49 B5R0.5 CC(=O)[13C](=O)O HY-Y0781S1 [0,0,0,0,1,0|2,0,0]=3 50 B5R0.5 CC(N)C(=O)O HY-N2362 [0,0,0,0,1,0|2,0,1]=4 51 B5R0.5 CC(O)C(=O)O HY-B1530 [0,0,0,0,1,0|2,0,1]=4 52 B5R0.5 CC(O)C(=O)O HY-B2227 [0,0,0,0,1,0|2,0,1]=4 53 B5R0.5 CC(O)C(=O)O HY-B2227D [0,0,0,0,1,0|2,0,1]=4 54 B5R0.5 CC(O)C(=O)O HY-B2227R [0,0,0,0,1,0|2,0,1]=4 55 B5R0.5 CC(O)C(=O)O HY-W250313 [0,0,0,0,1,0|2,0,1]=4 56 B5R0.5 CC(O)C(=O)[O-] HY-B2227A [0,0,0,0,1,0|2,0,1]=4 57 B5R0.5 CC(O)C(=O)[O-] HY-B2227C [0,0,0,0,1,0|2,0,1]=4 58 B5R0.5 C[C@H](N)C(=O)O HY-N0229 [0,0,0,0,1,0|2,0,1]=4 59 B5R0.5 C[C@H](N)C(=O)O HY-N0229R [0,0,0,0,1,0|2,0,1]=4 60 B5R0.5 C[C@H](O)C(=O)O HY-Y0479 [0,0,0,0,1,0|2,0,1]=4 61 B5R0.5 NC(=O)C(=O)O HY-W013032 [0,0,0,0,1,0|3,0,0]=4 62 B5R0.5 O=C(O)C(=O)O HY-W041831 [0,0,0,0,1,0|3,0,0]=4 63 B5R0.5 O=C(O)C(=O)O HY-Y0262 [0,0,0,0,1,0|3,0,0]=4 64 B5R0.5 O=C(O)C(=O)O HY-Y0262A [0,0,0,0,1,0|3,0,0]=4 65 B5R0.5 O=C(O)C(=O)O HY-Y1297 [0,0,0,0,1,0|3,0,0]=4 66 B5R0.5 [2H]N(C)C(C)=O HY-W020018S1 [0,0,0,0,1,0|2,0,0]=3 67 B7R0.6 CC(=O)CCC(=O)O HY-Y0839 [0,0,0,0,0,1|3,0,0]=4 68 B7R0.6 CC(=O)NCC(=O)O HY-Y0069 [0,0,0,0,0,1|3,0,0]=4 69 B7R0.6 CC(=O)NNC(C)=O HY-I0777 [0,0,0,0,0,1|2,0,0]=3 70 B4R0.1 C=CC(=O)O HY-W243303A [2,0,0,0,0,0|1,0,0]=3 71 B4R0.1 C=CC(=O)O HY-W243303C [2,0,0,0,0,0|1,0,0]=3 72 B4R0.1 C=CC(=O)O HY-W243303D [2,0,0,0,0,0|1,0,0]=3 73 B4R0.1 C=CC(=O)O HY-W243303E [2,0,0,0,0,0|1,0,0]=3 74 B4R0.1 C=CC(=O)O HY-W243303O [2,0,0,0,0,0|1,0,0]=3 75 B4R0.1 C=CC(N)=O HY-W115727 [2,0,0,0,0,0|1,0,0]=3 76 B4R0.1 C=CC(N)=O HY-W115727A [2,0,0,0,0,0|1,0,0]=3 77 B4R0.1 C=CC(N)=O HY-W115727B [2,0,0,0,0,0|1,0,0]=3 78 B4R0.1 CC(=O)C=O HY-W020014 [2,0,0,0,0,0|1,0,0]=3 79 B4R0.1 CC(=O)CO HY-Y1366 [2,0,0,0,0,0|1,0,1]=4 80 B4R0.1 CC(=O)NBr HY-131899 [2,0,0,0,0,0|2,0,0]=4 81 B4R0.1 CC(=O)NO HY-B1235 [2,0,0,0,0,0|2,0,0]=4 82 B4R0.1 CC(=O)O[K] HY-Y0319B [2,0,0,0,0,0|1,0,0]=3 83 B4R0.1 CC(=O)O[K] HY-Y0319B1 [2,0,0,0,0,0|1,0,0]=3 84 B4R0.1 COC(N)=O HY-Y1401 [2,0,0,0,0,0|1,0,0]=3 85 B4R0.1 O=C([Zn])OO HY-B1818 [2,0,0,0,0,0|2,0,0]=4 86 B4R0.1 O=CC(=O)O HY-79494 [2,0,0,0,0,0|2,0,0]=4 87 B4R0.1 O=[13C](O)O[Na] HY-W251598S [2,0,0,0,0,0|2,0,0]=4 88 B4R0.1 [2H]C(=O)O[Na] HY-W088065S2 [2,0,0,0,0,0|2,0,0]=4 89 B4R0.2 C=CCSC HY-128447 [2,0,0,0,0,0|2,0,0]=4 90 B4R0.2 O=COO[K] HY-Y1220D [2,0,0,0,0,0|2,0,0]=4 91 B4R0.2 O=COO[K] HY-Y1220J [2,0,0,0,0,0|2,0,0]=4 92 B4R0.2 O=COO[Na] HY-ER013C [2,0,0,0,0,0|2,0,0]=4 93 B4R0.2 O=COO[Na] HY-W251598B [2,0,0,0,0,0|2,0,0]=4 94 B4R0.2 O=COO[Na] HY-W251598C [2,0,0,0,0,0|2,0,0]=4 95 B6R0.1 C=CCC(=O)OC HY-W105369 [1,1,0,0,0,0|1,0,0]=3 96 B6R0.1 CCOC(=O)CN HY-76204 [1,1,0,0,0,0|0,0,1]=3 97 B6R0.1 COC(=O)OCCl HY-43384 [1,1,0,0,0,0|1,0,1]=4 98 B6R0.3 C=C(C)C(=O)OC HY-W391506 [1,1,0,0,0,0|2,0,0]=4 99 B6R0.3 CCC(=O)C(C)=O HY-W012998 [1,1,0,0,0,0|1,0,1]=4 100 B6R0.3 CON(C)C(C)=O HY-W001095 [1,1,0,0,0,0|2,0,0]=4 101 B6R0.3 C\C=C(/C)C(=O)O HY-W012999 [1,1,0,0,0,0|2,0,0]=4 102 B6R0.4 C=CCCC(=O)O HY-Y0624 [1,1,0,0,0,0|2,0,0]=4 103 B6R0.4 CCOCC(=O)O HY-W027555 [1,1,0,0,0,0|1,0,1]=4 104 B6R0.4 CC\C=C\C(=O)O HY-W061674 [1,1,0,0,0,0|2,0,0]=4 105 B6R0.4 C\C=C\CC(=O)O HY-W088501 [1,1,0,0,0,0|2,0,0]=4 106 B6R0.4 NC\C=C\C(=O)O HY-100800 [1,1,0,0,0,0|2,0,0]=4 107 B6R0.5 CCOS(C)(=O)=O HY-W015854 [1,1,0,0,0,0|1,0,1]=4 108 B8R0.9 COC(=O)CCC(C)=O HY-N3272 [0,1,0,0,0,1|2,0,0]=4 109 B8R0.5 CCOC(=O)C=C(C)C HY-41314 [0,2,0,0,0,0|1,0,1]=4 110 B8R0.5 CCOC(=O)CC(C)=O HY-Y1093 [0,2,0,0,0,0|2,0,0]=4 111 B8R0.5 COCC(C)OC(C)=O HY-W133953 [0,2,0,0,0,0|0,0,2]=4 112 B8R0.19 CCC(=O)CC(=O)OC HY-W010394 [0,2,0,0,0,0|2,0,0]=4 113 B8R0.19 COC(=O)CC(=O)OC HY-Y1787 [0,2,0,0,0,0|2,0,0]=4 114 B8R0.19 O=C(CI)OC(=O)CI HY-W686605 [0,2,0,0,0,0|1,0,0]=3 115 B8R0.24 CC(C)(C)OC(=O)CN HY-75331 [0,2,0,0,0,0|0,0,2]=4 116 B8R0.24 CC(C)(C)OC(=O)CN HY-W007408 [0,2,0,0,0,0|0,0,2]=4 117 B6R1.2 CC1=CC=CS1 HY-W010615 [1,0,0,1,0,0|0,1,1]=4 118 B6R1.2 O=C1C=CCC1 HY-W010643 [1,0,0,1,0,0|1,0,0]=3 119 B6R1.2 O=C1C=CCO1 HY-W008270 [1,0,0,1,0,0|0,0,2]=4 120 B6R1.2 O=C1CCOC1 HY-33900 [1,0,0,1,0,0|2,0,0]=4 121 B6R1.2 O=C1CCSC1 HY-W010594 [1,0,0,1,0,0|2,0,0]=4 122 B8R1.3 CC1=CN=C(C)C=N1 HY-34439 [0,0,0,1,0,1|2,0,0]=4 123 B8R1.3 CC1=CNC(=O)C=C1 HY-W010566 [0,0,0,1,0,1|1,0,1]=4 124 B8R1.3 O=C1CCC(=O)CC1 HY-W010554 [0,0,0,1,0,1|2,0,0]=4 125 B8R1.1 CC1=CC=C(C=O)O1 HY-Y0543 [0,1,0,1,0,0|0,0,1]=3 126 B8R1.1 CC1=CC=C(C=O)S1 HY-34465 [0,1,0,1,0,0|0,1,1]=4 127 B8R1.1 CC1=CC=C(CO)O1 HY-W087919 [0,1,0,1,0,0|1,0,0]=3 128 B8R1.1 CCC1CCC(=O)O1 HY-W015892 [0,1,0,1,0,0|0,0,2]=4 129 B8R1.4 CC1=CN=CC(C)=N1 HY-W040790 [0,1,0,1,0,0|2,0,0]=4 130 B8R1.4 O=C1CCCC(=O)C1 HY-W007466 [0,1,0,1,0,0|2,0,0]=4 131 B8R1.4 O=C1CCCC(=O)N1 HY-I0466 [0,1,0,1,0,0|2,0,0]=4 132 B8R1.4 O=C1CCNC(=O)N1 HY-W012926 [0,1,0,1,0,0|2,0,0]=4 133 B8R1.4 O=C1COCC(=O)O1 HY-W074326 [0,1,0,1,0,0|1,0,0]=3 134 B8R1.18 CC1=CC(=O)C(C)O1 HY-W010553 [0,1,0,1,0,0|0,0,1]=3 135 B8R1.18 CC1=CC(=O)OC1=O HY-78035 [0,1,0,1,0,0|1,0,0]=3 136 B8R1.18 CC1=NC(C)=C(C)S1 HY-W100945 [0,1,0,1,0,0|1,1,0]=4 137 B8R1.18 CC1CC(=O)OC1=O HY-Z0059 [0,1,0,1,0,0|1,0,0]=3 138 B8R1.18 CN1CC(=O)N=C1N HY-B0504 [0,1,0,1,0,0|2,0,0]=4 139 B8R1.18 CN1CC(=O)N=C1N HY-B0504R [0,1,0,1,0,0|2,0,0]=4 140 B8R1.18 CN1CC(=O)NC1=O HY-113382 [0,1,0,1,0,0|2,0,0]=4 141 B8R1.50 CC1=C(O)C(=O)CO1 HY-W012927 [0,1,0,1,0,0|2,0,0]=4 142 B8R1.50 O=C1CCC(=O)N1Br HY-Y0775 [0,1,0,1,0,0|2,0,0]=4 143 B8R1.50 O=C1CCC(=O)N1Cl HY-Y0532 [0,1,0,1,0,0|2,0,0]=4 144 B8R1.50 O=C1CCC(=O)N1I HY-ER017 [0,1,0,1,0,0|2,0,0]=4 145 B8R1.50 O=C1CCC(=O)N1O HY-Y0623 [0,1,0,1,0,0|2,0,0]=4 146 B8R0.28 CC(=O)CCC=C(C)C HY-W010435 [0,0,0,0,0,2|1,0,1]=4 147 B8R0.28 CC(=O)O[PbH2]OC(C)=O HY-W115728 [0,0,0,0,0,2|1,0,0]=3