0 B8R0.23 C=C(CC(C)C)C(C)=O SC-A2921 [0,0,0,0,0,0|1,0,2]=3 1 B8R0.23 C=C(NC(C)=O)C(=O)O SC-48847 [0,0,0,0,0,0|2,0,2]=4 2 B8R0.23 CC(C)CC(Br)C(=O)O SC-A4035 [0,0,0,0,0,0|1,0,2]=3 3 B8R0.23 CC(C)CC(N)C(=O)O SC-09638 [0,0,0,0,0,0|1,0,2]=3 4 B8R0.23 CC(C)CC(N)C(=O)O SC-09639 [0,0,0,0,0,0|1,0,2]=3 5 B8R0.23 CC(C)C[C@@H](N)C(=O)O SC-09637 [0,0,0,0,0,0|1,0,2]=3 6 B8R0.23 CC(C)C[C@@H](O)C(=O)O SC-13459 [0,0,0,0,0,0|1,0,2]=3 7 B8R0.23 CC(C)C[C@H](N)C(N)=O SC-09656 [0,0,0,0,0,0|2,0,2]=4 8 B7R0.2 C=CC(=O)NC(C)C SC-47047 [1,0,0,0,0,0|3,0,0]=4 9 B7R0.2 C\C(C=O)=C/N(C)C SC-93331 [1,0,0,0,0,0|1,0,0]=2 10 B7R0.5 CCCC(Br)C(=O)O SC-27020 [1,0,0,0,0,0|1,0,2]=4 11 B7R0.5 CCC[C@H](N)C(=O)O SC-06139 [1,0,0,0,0,0|1,0,2]=4 12 B7R0.5 CCOC(=O)C(=O)Cl SC-26882 [1,0,0,0,0,0|3,0,0]=4 13 B7R0.5 CCOC(=O)C(=O)O SC-26569 [1,0,0,0,0,0|2,0,0]=3 14 B7R0.5 CCOC(=O)C(=O)[O-] SC-73549 [1,0,0,0,0,0|2,0,1]=4 15 B7R0.5 CCOC(=O)C(C)=O SC-15232 [1,0,0,0,0,0|3,0,0]=4 16 B7R0.6 CC(=O)OCC(C)C SC-25600 [1,0,0,0,0,0|2,0,1]=4 17 B7R0.6 CC(=O)\C=C\C(=O)O SC-94119 [1,0,0,0,0,0|1,0,1]=3 18 B7R0.6 CC(=O)\C=C\N(C)C SC-92543 [1,0,0,0,0,0|2,0,0]=3 19 B7R0.6 CC(C)CCC(=O)O SC-57917 [1,0,0,0,0,0|0,0,2]=3 20 B7R0.6 CC(C)OCC(=O)O SC-88240 [1,0,0,0,0,0|1,0,1]=3 21 B7R0.6 CN(C)CCC(=O)O SC-84721 [1,0,0,0,0,0|1,0,2]=4 22 B7R0.6 CN(C)CCC(=O)O SC-98010 [1,0,0,0,0,0|1,0,2]=4 23 B7R0.6 CN(C)\C=C\[N+](=O)[O-] SC-16745 [1,0,0,0,0,0|2,0,1]=4 24 B7R0.6 C[C@@H](O)COC(=O)O SC-01561 [1,0,0,0,0,0|2,0,1]=4 25 B9R0.39 CC(=O)\C(C#N)=C\N(C)C SC-34249 [0,1,0,0,0,0|2,0,1]=4 26 B9R0.39 CN[C@@H](CC(C)C)C(=O)O SC-82208 [0,1,0,0,0,0|0,0,2]=3 27 B9R0.57 CC(C)(C)CC(N)C(=O)O SC-20148 [0,1,0,0,0,0|1,0,2]=4 28 B9R0.57 CC(C)(C)CC(N)C(=O)O SC-70362 [0,1,0,0,0,0|1,0,2]=4 29 B9R0.57 CC(C)(C)C[C@@H](N)C(=O)O SC-52818 [0,1,0,0,0,0|1,0,2]=4 30 B9R0.79 CC(C)C(O)C(N)C(=O)O SC-48909 [0,1,0,0,0,0|1,0,2]=4 31 B9R1.35 CC1=CC(C(=O)O)=NN1 SC-46128 [0,0,0,1,0,0|2,0,1]=4 32 B9R1.35 CC1=CC(C(=O)O)=NO1 SC-24000 [0,0,0,1,0,0|2,0,1]=4 33 B9R1.35 CC1=CNC(C(=O)O)=C1 SC-36204 [0,0,0,1,0,0|1,0,2]=4 34 B9R1.35 CC1=CSC(C(=O)O)=C1 SC-01072 [0,0,0,1,0,0|1,0,2]=4 35 B9R1.35 CC1=NNC(C(=O)O)=C1 SC-94258 [0,0,0,1,0,0|2,0,1]=4 36 B9R1.35 CC1=NOC(C(=O)O)=C1 SC-48644 [0,0,0,1,0,0|2,0,1]=4 37 B9R1.35 CN1C=C(C(=O)O)C=N1 SC-52446 [0,0,0,1,0,0|2,0,1]=4 38 B9R1.35 CN1C=NC(C(=O)O)=C1 SC-04384 [0,0,0,1,0,0|2,0,1]=4 39 B9R1.35 CN1CCC(C(=O)O)C1 SC-38317 [0,0,0,1,0,0|1,0,2]=4 40 B9R1.35 CN1CCC(C(=O)O)C1 SC-71513 [0,0,0,1,0,0|1,0,2]=4 41 B9R1.35 NC1CCC(C(=O)O)C1 SC-62151 [0,0,0,1,0,0|1,0,2]=4 42 B9R1.35 N[C@@H]1CC[C@@H](C(=O)O)C1 SC-82495 [0,0,0,1,0,0|1,0,2]=4 43 B9R1.35 N[C@@H]1CC[C@@H](C(=O)O)C1 SC-93696 [0,0,0,1,0,0|1,0,2]=4 44 B9R1.35 N[C@@H]1CC[C@H](C(=O)O)C1 SC-48064 [0,0,0,1,0,0|1,0,2]=4 45 B9R1.35 N[C@@H]1CC[C@H](C(=O)O)C1 SC-93674 [0,0,0,1,0,0|1,0,2]=4 46 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 SC-52614 [0,0,0,1,0,0|1,0,2]=4 47 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 SC-69232 [0,0,0,1,0,0|1,0,2]=4 48 B9R1.35 O=C(O)C1CCC(O)C1 SC-48116 [0,0,0,1,0,0|1,0,2]=4 49 B9R1.112 C[C@H](NC1CC1)C(=O)O SC-11116 [0,0,0,1,0,0|1,0,1]=3 50 B9R1.112 NC(CC1CC1)C(=O)O SC-60891 [0,0,0,1,0,0|1,0,2]=4 51 B7R0.16 CC(C)C(=O)C(=O)O SC-27422 [0,0,0,0,1,0|1,0,0]=2 52 B7R0.16 CC(C)C(=O)C(=O)[O-] SC-13686 [0,0,0,0,1,0|1,0,1]=3 53 B7R0.16 CC(C)C(Br)C(=O)O SC-26681 [0,0,0,0,1,0|1,0,1]=3 54 B7R0.16 CC(C)C(N)C(=O)O SC-09983 [0,0,0,0,1,0|1,0,1]=3 55 B7R0.16 CC(C)C(N)C(=O)O SC-09984 [0,0,0,0,1,0|1,0,1]=3 56 B7R0.16 CC(C)C(N)C(=O)O SC-09985 [0,0,0,0,1,0|1,0,1]=3 57 B7R0.16 CC(C)C(O)C(=O)O SC-A2103 [0,0,0,0,1,0|1,0,1]=3 58 B7R0.16 CC(C)[C@@H](O)C(=O)O SC-01716 [0,0,0,0,1,0|1,0,1]=3 59 B7R0.16 CC(C)[C@H](N)C(N)=O SC-19666 [0,0,0,0,1,0|2,0,1]=4 60 B7R0.16 CC(O)C(N)C(=O)O SC-09869 [0,0,0,0,1,0|2,0,1]=4 61 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O SC-09868 [0,0,0,0,1,0|2,0,1]=4 62 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O SC-09866 [0,0,0,0,1,0|2,0,1]=4 63 B7R0.16 C[C@H](O)C(N)C(=O)O SC-46538 [0,0,0,0,1,0|2,0,1]=4 64 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O SC-09865 [0,0,0,0,1,0|2,0,1]=4 65 B9R0.7 CC(C)=CCC(N)C(=O)O SC-22867 [0,0,0,0,0,1|1,0,2]=4 66 B9R0.7 CC(C)CC[C@H](N)C(=O)O SC-93270 [0,0,0,0,0,1|1,0,2]=4 67 B9R0.53 CC(=O)CC(=O)OC(C)C SC-18510 [0,0,0,0,0,1|3,0,0]=4 68 B9R0.53 CC(C)C[C@H](N)CC(=O)O SC-26176 [0,0,0,0,0,1|1,0,2]=4 69 B6R0.2 CC(=O)NC(C)C SC-A3057 [2,0,0,0,0,0|1,0,0]=3 70 B6R0.2 CC(=O)OC(C)C SC-25616 [2,0,0,0,0,0|1,0,0]=3 71 B6R0.2 CC(=O)\C=C(\C)N SC-89382 [2,0,0,0,0,0|1,0,1]=4 72 B6R0.2 CC(=O)\C=C(\C)O SC-20333 [2,0,0,0,0,0|1,0,1]=4 73 B6R0.2 CC(=O)\C=C(\C)O SC-67757 [2,0,0,0,0,0|1,0,1]=4 74 B6R0.2 CC(=O)\C=C(\C)[O-] SC-19412 [2,0,0,0,0,0|1,0,1]=4 75 B6R0.2 CC(C)=CC(=O)Cl SC-17934 [2,0,0,0,0,0|1,0,1]=4 76 B6R0.2 CC(C)=CC(=O)O SC-16257 [2,0,0,0,0,0|1,0,1]=4 77 B6R0.4 CC\C=C\C(=O)O SC-92876 [2,0,0,0,0,0|0,0,0]=2 78 B6R0.4 CO\C=C\C(C)=O SC-71024 [2,0,0,0,0,0|2,0,0]=4 79 B6R0.4 O=C(O)\C=C\CBr SC-53654 [2,0,0,0,0,0|1,0,0]=3 80 B6R0.3 C=CC(C)C(=O)O SC-65769 [2,0,0,0,0,0|0,0,2]=4 81 B6R0.3 CC(CBr)C(=O)O SC-53016 [2,0,0,0,0,0|1,0,1]=4 82 B6R0.3 CC(CN)C(=O)O SC-10095 [2,0,0,0,0,0|1,0,1]=4 83 B6R0.3 CC(CN)C(=O)O SC-16443 [2,0,0,0,0,0|1,0,1]=4 84 B6R0.3 CCC(F)C(=O)O SC-82839 [2,0,0,0,0,0|1,0,1]=4 85 B6R0.3 CCC(N)C(=O)O SC-25570 [2,0,0,0,0,0|1,0,1]=4 86 B6R0.3 CCC(S)C(=O)O SC-90417 [2,0,0,0,0,0|1,0,1]=4 87 B6R0.3 CC[C@@H](C)C(=O)O SC-92309 [2,0,0,0,0,0|0,0,1]=3 88 B6R0.3 CC[C@@H](N)C(=O)O SC-10051 [2,0,0,0,0,0|1,0,1]=4 89 B6R0.3 CC[C@@H](O)C(=O)O SC-53865 [2,0,0,0,0,0|1,0,1]=4 90 B6R0.3 CC[C@H](N)C(=O)O SC-10052 [2,0,0,0,0,0|1,0,1]=4 91 B6R0.3 CN[C@H](C)C(=O)O SC-45134 [2,0,0,0,0,0|1,0,1]=4 92 B6R0.3 COC(C)C(=O)O SC-49776 [2,0,0,0,0,0|1,0,1]=4 93 B6R0.3 CO[C@@H](C)C(=O)O SC-89341 [2,0,0,0,0,0|1,0,1]=4 94 B6R0.3 CO[C@H](C)C(=O)O SC-A3340 [2,0,0,0,0,0|1,0,1]=4 95 B6R0.3 C[C@@H](CN)C(=O)O SC-69436 [2,0,0,0,0,0|1,0,1]=4 96 B6R0.3 C[C@H](CN)C(=O)O SC-90232 [2,0,0,0,0,0|1,0,1]=4 97 B6R0.3 C[C@H](CN)C(=O)O SC-A1203 [2,0,0,0,0,0|1,0,1]=4 98 B6R0.3 O=C(O)C(=O)CBr SC-15238 [2,0,0,0,0,0|2,0,0]=4 99 B8R0.8 C\C=C\C=C(/C)C(=O)[O-] SC-10258 [1,1,0,0,0,0|0,0,2]=4 100 B8R0.15 CCCC(CC)C(=O)O SC-82317 [1,1,0,0,0,0|0,0,2]=4 101 B8R0.29 CC(C)(C)NCC(=O)O SC-82899 [1,1,0,0,0,0|1,0,1]=4 102 B8R0.29 CC(C)(C)OCC(=O)O SC-46034 [1,1,0,0,0,0|1,0,1]=4 103 B8R0.18 CC(C)[C@@H](CN)C(=O)O SC-A1205 [0,1,0,0,1,0|0,0,1]=3 104 B8R0.18 CC(C)[C@H](CN)C(=O)O SC-A1208 [0,1,0,0,1,0|0,0,1]=3 105 B8R0.18 CC(C)[C@H](CN)C(=O)O SC-A1209 [0,1,0,0,1,0|0,0,1]=3 106 B8R0.27 CC(C)(C)C(=O)C(=O)O SC-75151 [0,1,0,0,1,0|1,0,0]=3 107 B8R0.27 CC(C)(C)C(N)C(=O)O SC-10341 [0,1,0,0,1,0|1,0,1]=4 108 B8R0.27 CC(C)(C)[C@@H](N)C(=O)O SC-10342 [0,1,0,0,1,0|1,0,1]=4 109 B8R0.27 CC(C)(C)[C@H](N)C(=O)O SC-10343 [0,1,0,0,1,0|1,0,1]=4 110 B8R0.27 CC(C)(S)C(N)C(=O)O SC-11163 [0,1,0,0,1,0|1,0,1]=4 111 B10R0.93 C[C@@H](N)C(=O)N[C@H](C)C(=O)O SC-90279 [0,1,0,0,0,1|1,0,1]=4 112 B10R0.31 CC(C)(C)OC(=O)CC(=O)O SC-19915 [0,1,0,0,0,1|2,0,0]=4 113 B10R0.44 COC(=O)CC(=O)CC(C)C SC-53185 [0,1,0,0,0,1|1,0,1]=4 114 B10R0.70 CC(C)C[C@H](CN)CC(=O)O SC-11867 [0,1,0,0,0,1|0,0,2]=4 115 B8R1.7 O=C(O)C1=CCCC1 SC-65352 [1,0,0,1,0,0|0,0,0]=2 116 B8R1.7 O=C(O)C1CCCC1 SC-18675 [1,0,0,1,0,0|0,0,2]=4 117 B8R1.7 O=C(O)C1CCCN1 SC-09807 [1,0,0,1,0,0|1,0,1]=4 118 B8R1.7 O=C(O)C1CCCO1 SC-A4307 [1,0,0,1,0,0|1,0,1]=4 119 B8R1.7 O=C(O)[C@@H]1CCCN1 SC-09806 [1,0,0,1,0,0|1,0,1]=4 120 B8R1.7 O=C(O)[C@H]1CCCN1 SC-09805 [1,0,0,1,0,0|1,0,1]=4 121 B8R1.7 O=C(O)[C@H]1CCCO1 SC-07092 [1,0,0,1,0,0|1,0,1]=4 122 B8R1.7 OB(O)C1=CCCC1 SC-53221 [1,0,0,1,0,0|1,0,1]=4 123 B8R1.23 CC1CC(C(=O)O)C1 SC-73078 [1,0,0,1,0,0|0,0,2]=4 124 B8R1.54 O=C(O)C(=O)C1CC1 SC-49223 [1,0,0,1,0,0|1,0,1]=4 125 B8R1.78 CC1(C(=O)O)CCC1 SC-25545 [1,0,0,1,0,0|0,0,2]=4 126 B8R1.35 O=C(O)CCC1CC1 SC-31428 [1,0,0,1,0,0|0,0,2]=4 127 B10R1.359 CC1(C)CN[C@H](C(=O)O)C1 SC-82865 [0,0,0,1,0,1|0,0,2]=4 128 B10R1.329 CC1(C)OC(=O)CC(=O)O1 SC-16180 [0,0,0,1,0,1|2,0,0]=4 129 B10R1.194 CN1CCC(C(=O)O)C1=O SC-68665 [0,1,0,1,0,0|1,0,1]=4 130 B10R2.357 O=C(O)[C@@H]1C[C@@H]2C[C@@H]2N1 SC-94863 [0,0,0,2,0,0|1,0,1]=4 131 B8R0.28 CC(C)C\C=C\C(=O)O SC-96534 [1,0,0,0,0,1|0,0,0]=2 132 B8R0.28 CN(C)C\C=C\C(=O)O SC-20214 [1,0,0,0,0,1|1,0,0]=3 133 B8R0.28 CN(C)C\C=C\C(=O)O SC-82699 [1,0,0,0,0,1|1,0,0]=3