0 B6R0.2 CC(=O)\C=C(\C)[O-] HY-W020952 [0,0,0,0,0,0|1,0,0]=1 1 B6R0.2 CC(C)CC(=O)O HY-W012980 [0,0,0,0,0,0|1,0,2]=3 2 B6R0.2 CC(C)CC(N)=O HY-B1229 [0,0,0,0,0,0|1,0,2]=3 3 B6R0.2 CC(C)C[13C](=O)O HY-W012980S1 [0,0,0,0,0,0|1,0,2]=3 4 B6R0.2 CC(C)SC(=N)N HY-101304 [0,0,0,0,0,0|3,0,1]=4 5 B6R0.2 CC(N)CC(=O)O HY-W008833 [0,0,0,0,0,0|2,0,2]=4 6 B6R0.2 CC(N)CN(C)C HY-32007 [0,0,0,0,0,0|2,0,2]=4 7 B6R0.2 CC(N)CN(C)C HY-32007A [0,0,0,0,0,0|2,0,2]=4 8 B6R0.2 CC(O)CC(=O)O HY-113378 [0,0,0,0,0,0|2,0,2]=4 9 B6R0.2 CN(C)CC(=O)O HY-W001158 [0,0,0,0,0,0|2,0,1]=3 10 B6R0.2 CN(C)CC(=O)O HY-Y0511 [0,0,0,0,0,0|2,0,1]=3 11 B6R0.2 CN(C)CC(=O)O HY-Y0511R [0,0,0,0,0,0|2,0,1]=3 12 B6R0.2 C[C@@H](O)CC(=O)O HY-W051723 [0,0,0,0,0,0|2,0,2]=4 13 B6R0.2 C[C@H](N)CC(=O)O HY-W001210 [0,0,0,0,0,0|2,0,2]=4 14 B6R0.2 C[C@H](O)CC(=O)O HY-W050031 [0,0,0,0,0,0|2,0,2]=4 15 B6R0.2 O=C(O)[Ca]C(=O)O HY-Y0262D [0,0,0,0,0,0|4,0,0]=4 16 B6R0.2 O=C(O)[SnH2]C(=O)O HY-W105856 [0,0,0,0,0,0|4,0,0]=4 17 B6R0.2 O=C([O-])CC(=O)[O-] HY-W283726 [0,0,0,0,0,0|3,0,1]=4 18 B5R0.1 C=CCC(=O)O HY-W068697 [1,0,0,0,0,0|1,0,2]=4 19 B5R0.1 CC(=O)CCO HY-W051287 [1,0,0,0,0,0|1,0,2]=4 20 B5R0.1 CC(=O)NCO HY-W024564 [1,0,0,0,0,0|2,0,1]=4 21 B5R0.1 CC(C)=CC=O HY-34409 [1,0,0,0,0,0|0,0,0]=1 22 B5R0.1 CC(C)=CCO HY-W013035 [1,0,0,0,0,0|0,0,2]=3 23 B5R0.1 CCCC(N)=O HY-W088319 [1,0,0,0,0,0|1,0,2]=4 24 B5R0.1 CCOC(N)=O HY-B1207 [1,0,0,0,0,0|2,0,1]=4 25 B5R0.1 CCOC(N)=O HY-B1207R [1,0,0,0,0,0|2,0,1]=4 26 B5R0.1 CN(C)CC=O HY-100061A [1,0,0,0,0,0|1,0,1]=3 27 B5R0.1 CNCC(=O)O HY-101037 [1,0,0,0,0,0|2,0,1]=4 28 B5R0.1 CNCC(=O)O HY-101037R [1,0,0,0,0,0|2,0,1]=4 29 B5R0.1 COCC(=O)O HY-Y1009 [1,0,0,0,0,0|2,0,1]=4 30 B5R0.1 C\C=C\C(=O)O HY-Y1644 [1,0,0,0,0,0|1,0,0]=2 31 B7R0.2 CC(=O)CC(=O)O[Na] HY-112540B [0,1,0,0,0,0|2,0,1]=4 32 B7R0.2 CCC(C)CC(=O)O HY-W010513 [0,1,0,0,0,0|1,0,2]=4 33 B7R0.2 CCC(C)CC(=O)O HY-W010513R [0,1,0,0,0,0|1,0,2]=4 34 B7R0.2 CCC(C)OC(C)=O HY-158759 [0,1,0,0,0,0|1,0,1]=3 35 B7R0.2 COC(=O)CC(C)=O HY-Y1298 [0,1,0,0,0,0|1,0,1]=3 36 B7R0.2 [C@@H](C)(O)CC(=O)OC HY-W012885 [0,1,0,0,0,0|1,0,2]=4 37 B7R0.2 [C@H](C)(O)CC(=O)OC HY-W010507 [0,1,0,0,0,0|1,0,2]=4 38 B7R0.2 [Li]OC(=O)CC(C)=O HY-112540A [0,1,0,0,0,0|2,0,1]=4 39 B7R0.9 CC(C)(O)CC(=O)O HY-113409R [0,1,0,0,0,0|1,0,2]=4 40 B7R0.9 C[N+](C)(C)CC(=O)O HY-N0739 [0,1,0,0,0,0|2,0,1]=4 41 B7R0.9 C[N+](C)(C)CC(=O)[O-] HY-B0710 [0,1,0,0,0,0|2,0,1]=4 42 B7R0.9 C[N+](C)(C)CC(=O)[O-] HY-W010348 [0,1,0,0,0,0|2,0,1]=4 43 B7R0.16 CC(C)C(=O)C(=O)O HY-W006057 [0,1,0,0,0,0|1,0,1]=3 44 B7R0.16 CC(C)C(N)C(=O)O HY-W012889 [0,1,0,0,0,0|1,0,2]=4 45 B7R0.16 CC(C)C(O)C(=O)O HY-W008150 [0,1,0,0,0,0|1,0,2]=4 46 B7R0.16 CC(C)[C@@H](N)C(=O)O HY-N0717A [0,1,0,0,0,0|1,0,2]=4 47 B7R0.16 CC(C)[C@H](N)C(=O)O HY-N0717 [0,1,0,0,0,0|1,0,2]=4 48 B7R0.16 CC(C)[C@H](N)C(=O)O HY-N0717R [0,1,0,0,0,0|1,0,2]=4 49 B7R0.16 O=C([O-])C(=O)C(=O)[O-] HY-W540188A [0,1,0,0,0,0|3,0,0]=4 50 B7R1.2 CC1=CC(=O)CC1 HY-W013014 [0,0,0,1,0,0|0,0,0]=1 51 B7R1.2 CC1=CC(N)=NN1 HY-75637 [0,0,0,1,0,0|3,0,0]=4 52 B7R1.2 CC1=CC(N)=NO1 HY-W041676 [0,0,0,1,0,0|2,0,1]=4 53 B7R1.2 CC1=CCC(=O)O1 HY-N0548 [0,0,0,1,0,0|1,0,1]=3 54 B7R1.2 CC1CCC(=O)O1 HY-W015938 [0,0,0,1,0,0|1,0,1]=3 55 B7R1.2 O=C1CCC(=O)C1 HY-75355 [0,0,0,1,0,0|1,0,1]=3 56 B7R1.2 O=C1CCC(=O)N1 HY-41877 [0,0,0,1,0,0|2,0,0]=3 57 B7R1.2 O=C1CCC(=O)O1 HY-79369 [0,0,0,1,0,0|2,0,0]=3 58 B7R1.2 O=C1CNC(=S)N1 HY-W012896 [0,0,0,1,0,0|3,0,0]=4 59 B7R1.2 O=C1CSC(=O)N1 HY-59272 [0,0,0,1,0,0|3,0,0]=4 60 B7R1.2 O=C1CSC(=S)N1 HY-W010365 [0,0,0,1,0,0|3,0,0]=4 61 B7R1.20 O=C(O)CC1CC1 HY-W010610 [0,0,0,1,0,0|1,0,2]=4 62 B5R0.5 C=C(C)C(N)=O HY-W020027 [0,0,0,0,1,0|1,0,1]=3 63 B5R0.5 CC(=O)C(=O)O HY-Y0781 [0,0,0,0,1,0|2,0,0]=3 64 B5R0.5 CC(=O)C(=O)O HY-Y0781R [0,0,0,0,1,0|2,0,0]=3 65 B5R0.5 CC(=O)N(C)C HY-W042416 [0,0,0,0,1,0|1,0,0]=2 66 B5R0.5 CC(=O)[13C](=O)O HY-Y0781S1 [0,0,0,0,1,0|2,0,0]=3 67 B5R0.5 CC(N)C(=O)O HY-N2362 [0,0,0,0,1,0|2,0,1]=4 68 B5R0.5 CC(O)C(=O)O HY-B1530 [0,0,0,0,1,0|2,0,1]=4 69 B5R0.5 CC(O)C(=O)O HY-B2227 [0,0,0,0,1,0|2,0,1]=4 70 B5R0.5 CC(O)C(=O)O HY-B2227D [0,0,0,0,1,0|2,0,1]=4 71 B5R0.5 CC(O)C(=O)O HY-B2227R [0,0,0,0,1,0|2,0,1]=4 72 B5R0.5 CC(O)C(=O)O HY-W250313 [0,0,0,0,1,0|2,0,1]=4 73 B5R0.5 CC(O)C(=O)[O-] HY-B2227A [0,0,0,0,1,0|2,0,1]=4 74 B5R0.5 CC(O)C(=O)[O-] HY-B2227C [0,0,0,0,1,0|2,0,1]=4 75 B5R0.5 C[C@H](N)C(=O)O HY-N0229 [0,0,0,0,1,0|2,0,1]=4 76 B5R0.5 C[C@H](N)C(=O)O HY-N0229R [0,0,0,0,1,0|2,0,1]=4 77 B5R0.5 C[C@H](O)C(=O)O HY-Y0479 [0,0,0,0,1,0|2,0,1]=4 78 B5R0.5 NC(=O)C(=O)O HY-W013032 [0,0,0,0,1,0|3,0,0]=4 79 B5R0.5 O=C(O)C(=O)O HY-W041831 [0,0,0,0,1,0|3,0,0]=4 80 B5R0.5 O=C(O)C(=O)O HY-Y0262 [0,0,0,0,1,0|3,0,0]=4 81 B5R0.5 O=C(O)C(=O)O HY-Y0262A [0,0,0,0,1,0|3,0,0]=4 82 B5R0.5 O=C(O)C(=O)O HY-Y1297 [0,0,0,0,1,0|3,0,0]=4 83 B5R0.5 [2H]N(C)C(C)=O HY-W020018S1 [0,0,0,0,1,0|2,0,0]=3 84 B7R0.6 C(C(=O)O)=CC(=O)O HY-W015883 [0,0,0,0,0,1|3,0,0]=4 85 B7R0.6 CC(=O)CCC(=O)O HY-Y0839 [0,0,0,0,0,1|2,0,1]=4 86 B7R0.6 CC(=O)NCC(=O)O HY-Y0069 [0,0,0,0,0,1|2,0,1]=4 87 B7R0.6 CC(=O)NNC(C)=O HY-I0777 [0,0,0,0,0,1|2,0,0]=3 88 B7R0.6 CC(C)CCC(=O)O HY-W015882 [0,0,0,0,0,1|1,0,2]=4 89 B7R0.6 CC(C)CCC(=O)O HY-W015882R [0,0,0,0,0,1|1,0,2]=4 90 B7R0.6 NC(=O)\C=C/C(=O)O HY-128750 [0,0,0,0,0,1|3,0,0]=4 91 B7R0.6 O=C(O)\C=C/C(=O)O HY-Y0367 [0,0,0,0,0,1|3,0,0]=4 92 B7R0.6 O=C(O)\C=C\C(=O)O HY-107829 [0,0,0,0,0,1|3,0,0]=4 93 B7R0.6 O=C(O)\C=C\C(=O)O HY-W015883R [0,0,0,0,0,1|3,0,0]=4 94 B7R0.6 O=C([O-])\C=C\C(=O)[O-] HY-B1651 [0,0,0,0,0,1|3,0,0]=4 95 B4R0.1 C=CC(=O)O HY-W243303A [2,0,0,0,0,0|1,0,0]=3 96 B4R0.1 C=CC(=O)O HY-W243303C [2,0,0,0,0,0|1,0,0]=3 97 B4R0.1 C=CC(=O)O HY-W243303D [2,0,0,0,0,0|1,0,0]=3 98 B4R0.1 C=CC(=O)O HY-W243303E [2,0,0,0,0,0|1,0,0]=3 99 B4R0.1 C=CC(=O)O HY-W243303O [2,0,0,0,0,0|1,0,0]=3 100 B4R0.1 C=CC(N)=O HY-W115727 [2,0,0,0,0,0|1,0,0]=3 101 B4R0.1 C=CC(N)=O HY-W115727A [2,0,0,0,0,0|1,0,0]=3 102 B4R0.1 C=CC(N)=O HY-W115727B [2,0,0,0,0,0|1,0,0]=3 103 B4R0.1 CC(=O)C=O HY-W020014 [2,0,0,0,0,0|1,0,0]=3 104 B4R0.1 CC(=O)CO HY-Y1366 [2,0,0,0,0,0|1,0,1]=4 105 B4R0.1 CC(=O)NBr HY-131899 [2,0,0,0,0,0|2,0,0]=4 106 B4R0.1 CC(=O)NO HY-B1235 [2,0,0,0,0,0|2,0,0]=4 107 B4R0.1 CC(=O)O[K] HY-Y0319B [2,0,0,0,0,0|2,0,0]=4 108 B4R0.1 CC(=O)O[K] HY-Y0319B1 [2,0,0,0,0,0|2,0,0]=4 109 B4R0.1 CC(C)=NO HY-W008840 [2,0,0,0,0,0|1,0,1]=4 110 B4R0.1 COC(N)=O HY-Y1401 [2,0,0,0,0,0|2,0,0]=4 111 B4R0.1 O=CC(=O)O HY-79494 [2,0,0,0,0,0|2,0,0]=4 112 B6R0.1 C=CCC(=O)OC HY-W105369 [1,1,0,0,0,0|0,0,2]=4 113 B6R0.1 CCOC(=O)CN HY-76204 [1,1,0,0,0,0|1,0,1]=4 114 B6R0.3 C=C(C)C(=O)OC HY-W391506 [1,1,0,0,0,0|1,0,1]=4 115 B6R0.3 CC(=O)\C(C)=N\O HY-Y0413 [1,1,0,0,0,0|2,0,0]=4 116 B6R0.3 CCC(=O)C(=O)O HY-W007926 [1,1,0,0,0,0|1,0,1]=4 117 B6R0.3 CCC(=O)C(=O)O HY-W007926R [1,1,0,0,0,0|1,0,1]=4 118 B6R0.3 CCC(=O)C(C)=O HY-W012998 [1,1,0,0,0,0|0,0,1]=3 119 B6R0.3 CON(C)C(C)=O HY-W001095 [1,1,0,0,0,0|2,0,0]=4 120 B6R0.3 C\C=C(/C)C(=O)O HY-W012999 [1,1,0,0,0,0|1,0,0]=3 121 B6R0.4 CC\C=C\C(=O)O HY-W061674 [1,1,0,0,0,0|1,0,0]=3 122 B6R0.4 C\C=C\CC(=O)O HY-W088501 [1,1,0,0,0,0|1,0,0]=3 123 B6R0.4 NC\C=C\C(=O)O HY-100800 [1,1,0,0,0,0|1,0,0]=3 124 B6R0.7 CC(C)(N)C(=O)O HY-Y0124 [0,1,0,0,1,0|1,0,1]=4 125 B6R0.7 CC(C)(O)C(=O)O HY-W015924 [0,1,0,0,1,0|1,0,1]=4 126 B8R0.9 COC(=O)CCC(C)=O HY-N3272 [0,1,0,0,0,1|1,0,1]=4 127 B8R0.9 COC(=O)\C=C\C(=O)O HY-103252 [0,1,0,0,0,1|2,0,0]=4 128 B8R0.23 CC(C)CC(=O)C(=O)O HY-W012722 [0,1,0,0,0,1|1,0,1]=4 129 B8R0.23 CC(C)CC(=O)C(=O)O HY-W012722R [0,1,0,0,0,1|1,0,1]=4 130 B8R0.2 CC(C)C(=O)C(=O)O[Na] HY-W006057A [0,2,0,0,0,0|1,0,1]=4 131 B8R0.2 CCC(C)C(=O)C(=O)O HY-113063 [0,2,0,0,0,0|1,0,1]=4 132 B8R0.2 CCC(C)C(=O)C(=O)O HY-113063R [0,2,0,0,0,0|1,0,1]=4 133 B8R0.2 COC(=O)C(N)C(C)C HY-W012519 [0,2,0,0,0,0|0,0,2]=4 134 B8R0.2 COC(=O)[C@H](N)C(C)C HY-79708A [0,2,0,0,0,0|0,0,2]=4 135 B8R0.2 [13CH3]C([13CH3])C(=O)C(=O)O[Na] HY-W006057AS17 [0,2,0,0,0,0|1,0,1]=4 136 B8R0.2 [C@@H](N)(C(=O)OC)C(C)C HY-W010077 [0,2,0,0,0,0|0,0,2]=4 137 B8R0.5 CCOC(=O)C=C(C)C HY-41314 [0,2,0,0,0,0|0,0,0]=2 138 B8R0.5 CCOC(=O)CC(C)=O HY-Y1093 [0,2,0,0,0,0|1,0,1]=4 139 B8R0.5 CCOC(=O)CN(C)C HY-W012705 [0,2,0,0,0,0|1,0,1]=4 140 B8R0.5 COCC(C)OC(C)=O HY-W133953 [0,2,0,0,0,0|1,0,1]=4 141 B8R0.16 COC(CC(C)=O)OC HY-Y0035 [0,2,0,0,0,0|0,0,2]=4 142 B8R0.16 CSC(=C[N+](=O)[O-])SC HY-W017171 [0,2,0,0,0,0|2,0,0]=4 143 B8R0.19 CCC(=O)CC(=O)OC HY-W010394 [0,2,0,0,0,0|1,0,1]=4 144 B8R0.19 COC(=O)CC(=O)OC HY-Y1787 [0,2,0,0,0,0|1,0,1]=4 145 B8R0.19 O=C(CI)OC(=O)CI HY-W686605 [0,2,0,0,0,0|2,0,0]=4 146 B8R0.24 CC(C)(C)OC(=O)CN HY-75331 [0,2,0,0,0,0|1,0,1]=4 147 B8R0.24 CC(C)(C)OC(=O)CN HY-W007408 [0,2,0,0,0,0|1,0,1]=4 148 B6R1.2 CC1=CC=CS1 HY-W010615 [1,0,0,1,0,0|0,1,1]=4 149 B6R1.2 CC1=NNC=C1 HY-66054 [1,0,0,1,0,0|2,0,0]=4 150 B6R1.2 O=C1C=CCC1 HY-W010643 [1,0,0,1,0,0|0,0,0]=2 151 B6R1.2 O=C1C=CCO1 HY-W008270 [1,0,0,1,0,0|1,0,0]=3 152 B6R1.2 O=C1CCOC1 HY-33900 [1,0,0,1,0,0|1,0,1]=4 153 B6R1.2 O=C1CCSC1 HY-W010594 [1,0,0,1,0,0|1,0,1]=4 154 B8R1.3 CC1=CN=C(C)C=N1 HY-34439 [0,0,0,1,0,1|1,0,1]=4 155 B8R1.3 CC1=CNC(=O)C=C1 HY-W010566 [0,0,0,1,0,1|0,0,2]=4 156 B8R1.3 O=C1CCC(=O)CC1 HY-W010554 [0,0,0,1,0,1|1,0,1]=4 157 B8R1.51 CC1(C)C=CC(=O)C1 HY-W024604 [0,0,0,1,0,1|0,0,1]=3 158 B8R1.1 CC1=CC(CO)=NO1 HY-W012937 [0,1,0,1,0,0|1,0,1]=4 159 B8R1.1 CCC1CCC(=O)O1 HY-W015892 [0,1,0,1,0,0|1,0,1]=4 160 B8R1.4 CC1=CC(C)=O[Ru]O1 HY-W020958 [0,1,0,1,0,0|1,0,1]=4 161 B8R1.4 O=C1CCCC(=O)C1 HY-W007466 [0,1,0,1,0,0|1,0,1]=4 162 B8R1.4 O=C1CCCC(=O)N1 HY-I0466 [0,1,0,1,0,0|2,0,0]=4 163 B8R1.4 O=C1CCNC(=O)N1 HY-W012926 [0,1,0,1,0,0|2,0,0]=4 164 B8R1.4 O=C1COCC(=O)O1 HY-W074326 [0,1,0,1,0,0|2,0,0]=4 165 B8R1.18 CC1=CC(=O)C(C)O1 HY-W010553 [0,1,0,1,0,0|1,0,0]=3 166 B8R1.18 CC1=CC(=O)OC1=O HY-78035 [0,1,0,1,0,0|1,0,1]=4 167 B8R1.18 CC1=CC(C)=NN1C HY-N7086 [0,1,0,1,0,0|1,0,0]=3 168 B8R1.18 CC1=NC(C)=C(C)S1 HY-W100945 [0,1,0,1,0,0|1,1,0]=4 169 B8R1.18 CC1CC(=O)OC1=O HY-Z0059 [0,1,0,1,0,0|2,0,0]=4 170 B8R1.18 CN1CC(=O)N=C1N HY-B0504 [0,1,0,1,0,0|2,0,0]=4 171 B8R1.18 CN1CC(=O)N=C1N HY-B0504R [0,1,0,1,0,0|2,0,0]=4 172 B8R1.18 CN1CC(=O)NC1=O HY-113382 [0,1,0,1,0,0|2,0,0]=4 173 B8R1.18 CN1SC(Cl)=CC1=O HY-W017982 [0,1,0,1,0,0|2,0,0]=4 174 B8R1.50 CC1=C(O)C(=O)CO1 HY-W012927 [0,1,0,1,0,0|1,0,0]=3 175 B8R1.50 CC1=NNC(C)=C1Br HY-W016754 [0,1,0,1,0,0|2,0,0]=4 176 B8R1.50 O=C1CCC(=O)N1Br HY-Y0775 [0,1,0,1,0,0|2,0,0]=4 177 B8R1.50 O=C1CCC(=O)N1Cl HY-Y0532 [0,1,0,1,0,0|2,0,0]=4 178 B8R1.50 O=C1CCC(=O)N1I HY-ER017 [0,1,0,1,0,0|2,0,0]=4 179 B8R1.50 O=C1CCC(=O)N1O HY-Y0623 [0,1,0,1,0,0|2,0,0]=4 180 B8R0.28 CC(=O)CCC=C(C)C HY-W010435 [0,0,0,0,0,2|0,0,0]=2 181 B8R0.28 CC(=O)O[PbH2]OC(C)=O HY-W115728 [0,0,0,0,0,2|2,0,0]=4