0 B8R0.23 C=C(C)C(=O)OC(C)C 2323-1-0S [0,0,0,0,0,0|4,0,0]=4 1 B8R0.23 CC(=O)CC(C)C(=O)O 2129-1-0G [0,0,0,0,0,0|1,0,3]=4 2 B8R0.23 CC(=O)O[C@@H](C)C(=O)O 2123-1-S2 [0,0,0,0,0,0|2,0,2]=4 3 B8R0.23 CC(C)CC(Br)C(=O)O 2121-9-0D [0,0,0,0,0,0|1,0,2]=3 4 B8R0.23 CC(C)CC(O)C(=O)O 2129-1-0U [0,0,0,0,0,0|1,0,2]=3 5 B8R0.23 CC(C)C[C@@H](O)C(=O)O 2129-1-RB [0,0,0,0,0,0|1,0,2]=3 6 B8R0.23 CC(C)C[C@H](Cl)C(=O)O 2121-5-S2 [0,0,0,0,0,0|1,0,2]=3 7 B8R0.23 CC(C)C[C@H](F)C(=O)O 2121-3-S2 [0,0,0,0,0,0|1,0,2]=3 8 B8R0.23 CC(C)C[C@H](N)C(N)=O 4158-5-02 [0,0,0,0,0,0|2,0,2]=4 9 B8R0.23 C\C(=C\C(=O)O)C(=O)O 2321-1-Z3 [0,0,0,0,0,0|2,0,1]=3 10 B7R0.2 C=CC(=O)NC(C)C 4348-1-0G [1,0,0,0,0,0|3,0,0]=4 11 B7R0.2 CC(C)OC(=O)CO 2129-1-0W [1,0,0,0,0,0|2,0,1]=4 12 B7R0.2 C\C(C=O)=C/N(C)C 4356-1-07 [1,0,0,0,0,0|1,0,0]=2 13 B7R0.5 CCCC(Br)C(=O)O 2121-9-0C [1,0,0,0,0,0|1,0,2]=4 14 B7R0.5 CCCC(C)C(=O)O 2121-1-0R [1,0,0,0,0,0|0,0,2]=3 15 B7R0.5 CCC[C@@H](N)C(=O)O 4157-1-RA [1,0,0,0,0,0|1,0,2]=4 16 B7R0.5 CCOC(=O)C(=O)[O-] 2122-1-11 [1,0,0,0,0,0|2,0,1]=4 17 B7R0.5 CC\C=C(/C)C(=O)O 2321-1-0R [1,0,0,0,0,0|0,0,0]=1 18 B7R0.6 CC(=O)CCC(C)C 2117-1-12 [1,0,0,0,0,0|1,0,2]=4 19 B7R0.6 CC(=O)\C=C\C(=O)O 2329-1-08 [1,0,0,0,0,0|1,0,1]=3 20 B7R0.6 CC(C)CCC(=O)O 2121-1-29 [1,0,0,0,0,0|0,0,2]=3 21 B7R0.6 CC(N)CCC(=O)O 4157-5-14 [1,0,0,0,0,0|1,0,2]=4 22 B7R0.6 CN(C)\C=C\[N+](=O)[O-] 4354-1-01 [1,0,0,0,0,0|2,0,1]=4 23 B7R0.6 O=C(O)\C=C\C(F)F 2321-3-10 [1,0,0,0,0,0|2,0,0]=3 24 B9R0.11 CC(=O)C(C)(C)CC(C)C 2117-1-00 [0,1,0,0,0,0|1,0,2]=4 25 B9R0.23 COC(=O)C(=O)CC(C)C 2129-1-0K [0,1,0,0,0,0|1,0,1]=3 26 B9R0.39 CN[C@@H](CC(C)C)C(=O)O 4157-5-08 [0,1,0,0,0,0|0,0,2]=3 27 B9R0.57 CC(C)(C)CC(=O)C(=O)O 2129-1-1M [0,1,0,0,0,0|1,0,1]=3 28 B9R0.57 CC(C)(C)CC(N)C(=O)O 4157-1-0F [0,1,0,0,0,0|1,0,2]=4 29 B9R0.57 CC(C)(C)C[C@@H](N)C(=O)O 4157-1-R8 [0,1,0,0,0,0|1,0,2]=4 30 B9R0.57 CC(C)(C)OC(=O)C(=O)Cl 2123-5-18 [0,1,0,0,0,0|3,0,0]=4 31 B9R0.57 CC(C)(F)C[C@H](N)C(=O)O 4157-3-S3 [0,1,0,0,0,0|1,0,2]=4 32 B9R0.79 CC(C)[C@@H](O)[C@@H](N)C(=O)O 4157-1-0T [0,1,0,0,0,0|1,0,2]=4 33 B9R1.35 CC1=CC(C(=O)O)=CN1 4H21-1-JE [0,0,0,1,0,0|1,0,2]=4 34 B9R1.35 CC1=CC(C(=O)O)=NO1 4H21-1-53 [0,0,0,1,0,0|2,0,1]=4 35 B9R1.35 CC1=CNC(C(=O)O)=C1 4H58-1-NN [0,0,0,1,0,0|1,0,2]=4 36 B9R1.35 CC1=NSC(C(=O)O)=C1 8H70-1-86 [0,0,0,1,0,0|2,0,1]=4 37 B9R1.35 CC1NC(C(=O)O)CS1 8H21-1-72 [0,0,0,1,0,0|2,0,1]=4 38 B9R1.35 CN1C=C(C(=O)O)N=N1 4H21-1-MV [0,0,0,1,0,0|3,0,0]=4 39 B9R1.35 CN1C=CC(C(=O)O)=C1 4H21-1-KH [0,0,0,1,0,0|1,0,2]=4 40 B9R1.35 CN1CCC(C(=O)O)C1 4H21-5-0C [0,0,0,1,0,0|1,0,2]=4 41 B9R1.35 CN1CC[C@@H](C(=O)O)C1 4H58-5-3S [0,0,0,1,0,0|1,0,2]=4 42 B9R1.35 C[C@@H]1CN[C@H](C(=O)O)C1 4H21-1-S3 [0,0,0,1,0,0|1,0,2]=4 43 B9R1.35 C[C@@H]1CN[C@H](C(=O)O)C1 4H21-5-0M [0,0,0,1,0,0|1,0,2]=4 44 B9R1.35 NC1CCC(C(=O)O)C1 4257-5-04 [0,0,0,1,0,0|1,0,2]=4 45 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 4257-1-09 [0,0,0,1,0,0|1,0,2]=4 46 B9R1.36 CC1CC(C)(C)CC1=O 2217-1-1J [0,0,0,1,0,0|1,0,2]=4 47 B9R1.69 CC1=CC(C)=C(O)C=N1 4H01-1-W0 [0,0,0,1,0,0|2,0,1]=4 48 B9R1.69 CC1=CC(C)=NNC1=O 4H48-1-010 [0,0,0,1,0,0|2,0,1]=4 49 B9R1.69 CC1CCC(=O)N(C)C1 4H48-1-0A3 [0,0,0,1,0,0|2,0,1]=4 50 B9R1.161 CC(C)C1CC1C(=O)O 2221-1-14 [0,0,0,1,0,0|0,0,2]=3 51 B9R1.164 C[C@]1(O)C[C@@H](C(=O)O)C1 2229-1-54 [0,0,0,1,0,0|1,0,2]=4 52 B7R0.16 CC(C)C(=O)C(=O)O 2129-1-0Q [0,0,0,0,1,0|1,0,0]=2 53 B7R0.16 CC(C)C(Br)C(=O)Br 2116-9-06 [0,0,0,0,1,0|2,0,1]=4 54 B7R0.16 CC(C)C(Br)C(=O)O 2121-9-10 [0,0,0,0,1,0|1,0,1]=3 55 B7R0.16 CC(C)C(N)C(=O)O 4157-1-10 [0,0,0,0,1,0|1,0,1]=3 56 B7R0.16 CC(C)[C@@H](Br)C(=O)O 2121-9-R1 [0,0,0,0,1,0|1,0,1]=3 57 B7R0.16 CC(C)[C@@H](N)C(=O)O 4157-1-Y1 [0,0,0,0,1,0|1,0,1]=3 58 B7R0.16 CC(C)[C@@H](O)C(=O)O 2129-1-18 [0,0,0,0,1,0|1,0,1]=3 59 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O 4157-1-33 [0,0,0,0,1,0|2,0,1]=4 60 B7R0.16 [C@@H](N)(C(=O)O)[C@@H](C)O 4157-1-X7 [0,0,0,0,1,0|2,0,1]=4 61 B9R0.53 CC(=O)CC(=O)CC(C)C 2118-1-06 [0,0,0,0,0,1|2,0,1]=4 62 B6R0.1 CCCC(C)C=O 2115-1-12 [2,0,0,0,0,0|0,0,2]=4 63 B6R0.1 CCO\C(C)=N\O 4147-1-09 [2,0,0,0,0,0|2,0,0]=4 64 B6R0.2 C=C(Br)CC(C)C 1300-9-16 [2,0,0,0,0,0|1,0,1]=4 65 B6R0.2 CC(=O)OC(C)Br 2123-9-25 [2,0,0,0,0,0|2,0,0]=4 66 B6R0.2 CC(=O)\C=C(\C)[O-] 2320-1-02 [2,0,0,0,0,0|1,0,1]=4 67 B6R0.2 CC(=O)\C=C(\C)[O-] 2322-1-06 [2,0,0,0,0,0|1,0,1]=4 68 B6R0.2 CC(=O)\C=C(\C)[O-] 9126-1-X0 [2,0,0,0,0,0|1,0,1]=4 69 B6R0.2 CC(=O)\C=C(\C)[O-] 9160-1-X0 [2,0,0,0,0,0|1,0,1]=4 70 B6R0.2 CC(=O)\C=C(\C)[O-] 9182-1-X0 [2,0,0,0,0,0|1,0,1]=4 71 B6R0.2 CC(C)=CC(=O)Cl 2316-5-05 [2,0,0,0,0,0|1,0,1]=4 72 B6R0.2 CC(C)CC(=O)O 2121-1-18 [2,0,0,0,0,0|1,0,1]=4 73 B6R0.2 CC(C)NC(N)=O 4153-1-10 [2,0,0,0,0,0|2,0,0]=4 74 B6R0.2 CC(C)OC(N)=O 4156-1-2S [2,0,0,0,0,0|2,0,0]=4 75 B6R0.2 CC(C)SC(=O)Cl 6166-5-00 [2,0,0,0,0,0|2,0,0]=4 76 B6R0.4 CCNCC(=O)O 4158-1-76 [2,0,0,0,0,0|1,0,1]=4 77 B6R0.4 CCOCC(=O)O 2121-1-20 [2,0,0,0,0,0|1,0,1]=4 78 B6R0.4 CC\C=C\C(=O)O 2321-1-X5 [2,0,0,0,0,0|0,0,0]=2 79 B6R0.4 CO\C=C\C(C)=O 2317-1-00 [2,0,0,0,0,0|2,0,0]=4 80 B6R0.4 CO\N=C\C(=O)O 4135-1-01 [2,0,0,0,0,0|2,0,0]=4 81 B6R0.4 O=C(O)\C=C\CBr 2321-9-00 [2,0,0,0,0,0|1,0,0]=3 82 B6R0.3 CC(CBr)C(=O)O 2121-9-0A [2,0,0,0,0,0|1,0,1]=4 83 B6R0.3 CC(CS)C(=O)O 6261-1-00 [2,0,0,0,0,0|1,0,1]=4 84 B6R0.3 CCC(Br)C(=O)O 2121-9-15 [2,0,0,0,0,0|1,0,1]=4 85 B6R0.3 CCC(O)C(=O)O 2129-1-1J [2,0,0,0,0,0|1,0,1]=4 86 B6R0.3 CC[C@@H](Cl)C(=O)O 2121-5-R0 [2,0,0,0,0,0|1,0,1]=4 87 B6R0.3 CC[C@@H](O)C(=O)O 2129-1-RF [2,0,0,0,0,0|1,0,1]=4 88 B6R0.3 CC[C@H](C)C(=O)O 2121-1-S0 [2,0,0,0,0,0|0,0,1]=3 89 B6R0.3 CC[C@H](Cl)C(=O)O 2121-5-S0 [2,0,0,0,0,0|1,0,1]=4 90 B6R0.3 CNC(C)C(=O)O 4157-1-0A [2,0,0,0,0,0|1,0,1]=4 91 B6R0.3 CO[C@@H](C)C(=O)O 2121-1-S1 [2,0,0,0,0,0|1,0,1]=4 92 B6R0.3 CO[C@H](C)C(=O)O 2121-1-R1 [2,0,0,0,0,0|1,0,1]=4 93 B6R0.3 C\C=C(/C)C(=O)Cl 2316-5-E0 [2,0,0,0,0,0|1,0,0]=3 94 B6R0.3 O=C(O)C(=O)CBr 2129-9-X1 [2,0,0,0,0,0|2,0,0]=4 95 B8R0.8 CCCCC(C)C(=O)O 2121-1-0S [1,1,0,0,0,0|0,0,2]=4 96 B8R0.8 CCC\C=C(/C)C(=O)O 2321-1-0S [1,1,0,0,0,0|0,0,0]=2 97 B8R0.12 CCC[C@@](C)(N)C(=O)O 4157-1-RB [1,1,0,0,0,0|0,0,2]=4 98 B8R0.12 CCOC(C)(C)C(=O)O 2121-1-0T [1,1,0,0,0,0|1,0,1]=4 99 B8R0.9 CNC(=O)\C=C/C(=O)O 4348-1-17 [1,1,0,0,0,0|1,0,1]=4 100 B8R0.9 COC(=O)\C=C\C(=O)O 2323-1-35 [1,1,0,0,0,0|1,0,1]=4 101 B8R0.9 COC(=O)\C=C\C(C)=O 2329-1-E0 [1,1,0,0,0,0|1,0,1]=4 102 B8R0.29 CC(C)(C)CCC(=O)O 2121-1-36 [1,1,0,0,0,0|0,0,2]=4 103 B8R0.29 CC(C)(C)\C=C\B(O)O 6360-1-E2 [1,1,0,0,0,0|1,0,1]=4 104 B8R0.29 CC(C)(N)CCC(=O)O 4157-1-32 [1,1,0,0,0,0|0,0,2]=4 105 B8R0.29 CC(C)(N)CCC(=O)O 4157-5-13 [1,1,0,0,0,0|0,0,2]=4 106 B8R0.29 O=C(O)\C=C\C(F)(F)Br 2321-B-01 [1,1,0,0,0,0|2,0,0]=4 107 B8R0.27 CC(C(=O)O)C(C)(C)C 2121-1-44 [0,1,0,0,1,0|0,0,1]=3 108 B8R0.27 CC(C)(C)C(=O)C(=O)O 2129-1-26 [0,1,0,0,1,0|1,0,0]=3 109 B8R0.27 CC(C)(C)C(N)C(=O)O 4157-1-0V [0,1,0,0,1,0|1,0,1]=4 110 B8R0.27 CC(C)(C)[C@H](O)C(=O)O 2129-1-S5 [0,1,0,0,1,0|1,0,1]=4 111 B8R0.27 CC(C)(F)C(N)C(=O)O 4157-3-X1 [0,1,0,0,1,0|1,0,1]=4 112 B8R0.27 CC(C)(O)C(N)C(=O)O 4157-1-0R [0,1,0,0,1,0|1,0,1]=4 113 B8R0.27 CC(C)(O)[C@H](N)C(=O)O 4157-1-SJ [0,1,0,0,1,0|1,0,1]=4 114 B8R0.37 CC(C)[C@](C)(N)C(=O)O 4157-1-SH [0,1,0,0,1,0|0,0,1]=3 115 B8R0.37 CC(O)[C@@](C)(N)C(=O)O 4157-1-24 [0,1,0,0,1,0|1,0,1]=4 116 B10R0.93 CC(Br)C(=O)NC(C)C(=O)O 4158-9-02 [0,1,0,0,0,1|1,0,1]=4 117 B10R0.31 CC(CC(=O)O)CC(C)(C)C 2121-1-0Q [0,1,0,0,0,1|0,0,2]=4 118 B10R0.46 COC(=O)\C=C(/C)C(=O)OC 2323-1-0E [0,2,0,0,0,0|1,0,1]=4 119 B10R0.56 COC(=O)C(C)C(=O)C(C)C 2129-1-07 [0,2,0,0,0,0|0,0,1]=3 120 B8R1.18 CC1CC(=O)N(C)C1 4H48-1-34 [1,0,0,1,0,0|1,0,1]=4 121 B8R1.5 O=C1CCCC=C1Br 2417-9-02 [1,0,0,1,0,0|2,0,0]=4 122 B8R1.7 CC(=O)C1=CCCC1 2417-1-0J [1,0,0,1,0,0|1,0,0]=3 123 B8R1.7 O=C(O)C1CCCC1 2221-1-Y5 [1,0,0,1,0,0|0,0,2]=4 124 B8R1.7 O=C(O)C1CCCN1 4H58-1-010 [1,0,0,1,0,0|1,0,1]=4 125 B8R1.7 O=C(O)C1CCCO1 2H21-1-26 [1,0,0,1,0,0|1,0,1]=4 126 B8R1.7 [C@@H]1(C(=O)O)CCCN1 4H21-1-0P [1,0,0,1,0,0|1,0,1]=4 127 B8R1.23 CC1CC(C(=O)O)C1 2221-1-0B [1,0,0,1,0,0|0,0,2]=4 128 B8R1.23 C[C@H]1C[C@@H](C(=O)O)C1 2221-1-29 [1,0,0,1,0,0|0,0,2]=4 129 B8R1.78 CC1(C(=O)O)CCC1 2221-1-25 [1,0,0,1,0,0|0,0,2]=4 130 B8R1.35 O=C(O)CCC1CC1 2221-1-24 [1,0,0,1,0,0|0,0,2]=4 131 B8R1.77 CC1(C)CC1C(=O)O 2221-1-0X [1,0,0,1,0,0|0,0,2]=4 132 B8R1.77 CC1(C)C[C@@H]1C(=O)O 2221-1-S0 [1,0,0,1,0,0|0,0,2]=4 133 B8R1.50 CC1=C(C)C(=O)NC1 4H48-1-Q8 [0,0,0,1,1,0|1,0,1]=4 134 B8R1.50 CC1=C(O)C(=O)OC1 2H25-1-56 [0,0,0,1,1,0|1,0,1]=4 135 B8R1.50 CC1CCC(=O)C1=O 2218-1-00 [0,0,0,1,1,0|2,0,0]=4 136 B10R1.13 CC1CC=C(B(O)O)CC1 6460-1-02 [0,0,0,1,0,1|1,0,1]=4 137 B10R1.359 CC1(C)CCC(C(=O)O)C1 2221-1-45 [0,0,0,1,0,1|0,0,2]=4 138 B10R1.54 CC(C)C[C@H]1COC(=O)N1 4H56-1-S63 [0,0,0,1,0,1|0,0,2]=4 139 B10R1.59 CC1=C(C(C)C)N=C(N)S1 7H70-1-3C [0,0,0,1,0,1|2,0,0]=4 140 B10R1.59 CC1=CC(C)=C(C(=O)O)N1 4H56-1-6A [0,0,0,1,0,1|1,0,1]=4 141 B10R1.268 CC(=O)\C=C(\C)NC1CC1 4331-1-00 [0,0,0,1,0,1|2,0,0]=4 142 B10R1.329 CC1=CC(=O)OC(C)(C)O1 2H25-1-1Z [0,0,0,1,0,1|1,0,0]=3 143 B10R1.64 CN(C)\C=C1\CCCC1=O 4256-1-20 [0,1,0,1,0,0|2,0,0]=4 144 B10R1.194 CN1CCC(C(=O)O)C1=O 4H58-1-00L [0,1,0,1,0,0|1,0,1]=4 145 B10R1.413 COC(=O)C1CC(C)(C)C1 2223-1-43 [0,1,0,1,0,0|0,0,2]=4 146 B10R1.113 CC1CCCC(C(=O)O)N1 4H21-5-44 [0,1,0,1,0,0|1,0,1]=4 147 B10R1.113 CC1COCC(C(=O)O)N1 4H21-5-43 [0,1,0,1,0,0|1,0,1]=4 148 B8R0.28 CC(=O)\C=C\C=C(C)C 2317-1-09 [1,0,0,0,0,1|1,0,1]=4 149 B8R0.28 CC(C)CCCC(=O)O 2121-1-15 [1,0,0,0,0,1|0,0,2]=4 150 B8R0.28 CN(C)C\C=C\C(=O)O 4358-5-32 [1,0,0,0,0,1|1,0,0]=3