0 B7R0.6 CC(=O)CCC(C)C OR10031 [0,0,0,0,0,0|1,0,2]=3 1 B7R0.6 CC(=O)NNC(C)=O OR6774 [0,0,0,0,0,0|4,0,0]=4 2 B7R0.6 CC(=O)\C=C\C(=O)O OR22045 [0,0,0,0,0,0|1,0,1]=2 3 B7R0.6 CC(C)=NN=C(N)N OR24600 [0,0,0,0,0,0|4,0,0]=4 4 B7R0.6 CC(C)=NNC(N)=O OR111530 [0,0,0,0,0,0|3,0,0]=3 5 B7R0.6 CC(C)CCC(=N)N OR322496 [0,0,0,0,0,0|2,0,2]=4 6 B7R0.6 CC(N)CCC(=O)O OR53204 [0,0,0,0,0,0|1,0,2]=3 7 B7R0.6 CN(C)CCC(=O)O OR322402 [0,0,0,0,0,0|1,0,1]=2 8 B7R0.6 CN(C)\C=N\C(N)=S OR310356 [0,0,0,0,0,0|3,1,0]=4 9 B7R0.6 N=C(N)NCC(=O)O OR27969 [0,0,0,0,0,0|3,0,0]=3 10 B7R0.6 O=C(Cl)CCC(=O)Cl OR322725 [0,0,0,0,0,0|3,0,1]=4 11 B7R0.6 O=C(O)CCC(=O)O OR14341 [0,0,0,0,0,0|2,0,1]=3 12 B6R0.4 CC(=O)OCC=O OR30432 [1,0,0,0,0,0|2,0,0]=3 13 B6R0.4 CCNCC(=O)O OR322207 [1,0,0,0,0,0|1,0,1]=3 14 B6R0.4 CN(C)CCCO OR5472 [1,0,0,0,0,0|1,0,2]=4 15 B6R0.4 COCCC(=O)O OR315601 [1,0,0,0,0,0|1,0,1]=3 16 B8R0.9 CNC(=O)\C=C/C(=O)O OR322103 [0,1,0,0,0,0|1,0,1]=3 17 B8R0.23 C=C(NC(C)=O)C(=O)O BIA1004 [0,1,0,0,0,0|2,0,1]=4 18 B8R0.23 CC(=O)NC(C)C(=O)O BIA1218 [0,1,0,0,0,0|2,0,0]=3 19 B8R0.23 CC(C)C[C@H](F)C(=O)O PC6852 [0,1,0,0,0,0|0,0,2]=3 20 B8R0.23 CC(C)NC(=O)C(=O)O OR470739 [0,1,0,0,0,0|1,0,2]=4 21 B8R0.23 CS(=O)C[C@H](N)C(=O)O OR480202 [0,1,0,0,0,0|2,0,1]=4 22 B8R0.29 CC(C)(N)CCC(=O)O OR53210 [0,1,0,0,0,0|0,0,2]=3 23 B8R0.29 CC(C)(S)CCC(=O)O OR323129 [0,1,0,0,0,0|0,0,2]=3 24 B8R1.23 C=C1CC(C(=O)Cl)C1 OR6383 [0,0,0,1,0,0|1,0,2]=4 25 B8R1.23 C[C@H]1C[C@@H](C(=O)O)C1 OR317068 [0,0,0,1,0,0|0,0,2]=3 26 B8R1.23 C[C@H]1C[C@H](C(=O)O)C1 OR317069 [0,0,0,1,0,0|0,0,2]=3 27 B8R1.23 NC1CC(C(=O)O)C1 OR322763 [0,0,0,1,0,0|1,0,2]=4 28 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 OR317054 [0,0,0,1,0,0|1,0,2]=4 29 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 OR317055 [0,0,0,1,0,0|1,0,2]=4 30 B8R1.23 O=C(O)C1CC(F)C1 PC405004 [0,0,0,1,0,0|1,0,2]=4 31 B8R1.23 O=C(O)C1CC(O)C1 OR308101 [0,0,0,1,0,0|1,0,2]=4 32 B8R1.23 O=C(O)[C@H]1C[C@@H](O)C1 OR317124 [0,0,0,1,0,0|1,0,2]=4 33 B6R0.2 CC(C)=CB(O)O OR360167 [0,0,0,0,1,0|1,0,1]=3 34 B6R0.2 CC(C)C[C@@H](C)O OR304054 [0,0,0,0,1,0|1,0,2]=4 35 B6R0.2 CC(C)C[C@H](C)O OR304055 [0,0,0,0,1,0|1,0,2]=4 36 B6R0.2 CC(C)NC(N)=O OR54393 [0,0,0,0,1,0|2,0,1]=4 37 B6R0.2 CC(O)CC(=O)[O-] OR28800 [0,0,0,0,1,0|1,0,2]=4 38 B6R0.2 CN(C)CC(N)=S OR315053 [0,0,0,0,1,0|2,1,0]=4 39 B8R0.28 CC(=O)OCC=C(F)F PC8369 [0,0,0,0,0,1|3,0,0]=4 40 B8R0.28 CC(C)CCCC(=O)O OR2382 [0,0,0,0,0,1|0,0,2]=3 41 B8R0.28 CC(C)CCOC(=O)Cl OR471322 [0,0,0,0,0,1|1,0,2]=4 42 B8R0.28 CN(C)C\C=C\C(=O)O OR471113 [0,0,0,0,0,1|1,0,1]=3 43 B8R0.28 NC(=O)COCC(=O)O OR28494 [0,0,0,0,0,1|2,0,1]=4 44 B8R0.28 O=C(O)CCCC(=O)O OR10039 [0,0,0,0,0,1|2,0,1]=4 45 B5R0.1 C=CC[C@@H](C)O OR304050 [2,0,0,0,0,0|1,0,1]=4 46 B5R0.1 CC(C)=CC=O OR315230 [2,0,0,0,0,0|0,0,0]=2 47 B5R0.1 CN(C)CCO OR322433 [2,0,0,0,0,0|1,0,1]=4 48 B5R0.1 C\C=C\B(O)O OR361670 [2,0,0,0,0,0|1,0,1]=4 49 B5R0.2 C\C=C/C[Mg]Cl OR320146 [2,0,0,0,0,0|2,0,0]=4 50 B5R0.2 C\C=C/C[Mg]Cl OR320147 [2,0,0,0,0,0|2,0,0]=4 51 B7R0.3 CNCCC(=O)OC OR323298 [1,1,0,0,0,0|1,0,1]=4 52 B7R0.4 CCC\C=C\C(=O)O OR301183 [1,1,0,0,0,0|0,0,2]=4 53 B7R0.4 CSCCCC(=O)O OR307008 [1,1,0,0,0,0|0,0,2]=4 54 B7R0.4 NCCCCC(=O)O OR24917 [1,1,0,0,0,0|0,0,2]=4 55 B7R0.4 O=C(O)COCCBr BIPG1337 [1,1,0,0,0,0|1,0,1]=4 56 B7R0.5 COC[C@H](N)C(=O)O OR307094 [1,1,0,0,0,0|1,0,1]=4 57 B7R0.16 C=C(C)[C@@H](N)C(=O)O OR480226 [0,1,0,0,1,0|0,0,1]=3 58 B7R0.16 CC(C)C(Br)C(=O)O OR26787 [0,1,0,0,1,0|0,0,1]=3 59 B7R0.16 CC(F)C(N)C(=O)O PC1076D [0,1,0,0,1,0|1,0,1]=4 60 B7R0.16 O=C(O)C(F)C(=O)O PC53171 [0,1,0,0,1,0|2,0,0]=4 61 B9R0.1 O=C(O)CCNC(=O)CBr OR323192 [0,1,0,0,0,1|1,0,1]=4 62 B9R0.7 O=C(O)CCC(F)=C(F)F PC4456 [0,1,0,0,0,1|2,0,0]=4 63 B9R0.53 O=C(O)CC(=O)CC(=O)O OR11107 [0,1,0,0,0,1|2,0,0]=4 64 B9R0.23 COC(=O)[C@@H](N)CC(C)C OR5853 [0,2,0,0,0,0|0,0,2]=4 65 B9R0.48 CCOC(=O)\C=C\C(C)=O OR22026 [0,2,0,0,0,0|1,0,1]=4 66 B9R0.10 CC(C)(C)[C@H](N)CC(=O)O OR313036 [0,2,0,0,0,0|0,0,2]=4 67 B9R0.39 CN[C@@H](CC(C)C)C(=O)O OR24700 [0,2,0,0,0,0|0,0,2]=4 68 B9R0.57 CC(C)(F)C[C@H](N)C(=O)O PC53007 [0,2,0,0,0,0|0,0,2]=4 69 B7R1.2 CC1=NNC(=O)C1 OR28352 [1,0,0,1,0,0|2,0,0]=4 70 B7R1.2 CN1CCC(=O)C1 OR309136 [1,0,0,1,0,0|1,0,1]=4 71 B7R1.18 O=C(O)C1CCN1 OR309022 [1,0,0,1,0,0|1,0,1]=4 72 B7R1.18 O=C(O)C1CCO1 OR308010 [1,0,0,1,0,0|1,0,1]=4 73 B7R1.18 O=C(O)[C@H]1CCN1 OR317238 [1,0,0,1,0,0|1,0,1]=4 74 B9R1.35 CC(=O)C1CCC(=O)O1 OR22581 [0,0,0,1,0,1|1,0,1]=4 75 B9R1.35 CC1=CNC(C(=O)O)=C1 OR345040 [0,0,0,1,0,1|0,0,2]=4 76 B9R1.35 O=C1CC(C(=O)O)CN1 OR315602 [0,0,0,1,0,1|1,0,1]=4 77 B9R1.35 O=C1CN[C@H](C(=O)O)C1 OR309140 [0,0,0,1,0,1|1,0,1]=4 78 B9R1.85 O=C(O)CCNC1CC1 OR471206 [0,0,0,1,0,1|0,0,2]=4 79 B9R1.10 CC1(C)OCC(=O)CO1 OR322571 [0,1,0,1,0,0|1,0,1]=4 80 B9R1.82 COC(=O)C1CC(C)O1 OR309116 [0,1,0,1,0,0|1,0,1]=4 81 B9R1.82 COC(=O)[C@@H]1C[C@@H](C)O1 OR309109 [0,1,0,1,0,0|1,0,1]=4 82 B9R1.84 O=C(O)CNC1COC1 OR312184 [0,1,0,1,0,0|1,0,1]=4 83 B9R1.95 CO[C@H]1C[C@@H](C(=O)O)C1 OR317126 [0,1,0,1,0,0|0,0,2]=4 84 B9R1.95 O=C(O)C1CC(CBr)C1 OR315585 [0,1,0,1,0,0|0,0,2]=4 85 B9R1.95 O=C(O)C1CC(CO)C1 OR308104 [0,1,0,1,0,0|0,0,2]=4 86 B9R1.38 C=C1OC(=O)OC1(C)C OR21346 [0,1,0,1,0,0|1,0,1]=4 87 B9R1.112 NC(CC1CC1)C(=O)O OR451166 [0,1,0,1,0,0|0,0,2]=4 88 B9R1.112 N[C@@H](CC1CC1)C(=O)O OR451083 [0,1,0,1,0,0|0,0,2]=4 89 B9R1.112 N[C@H](CC1CC1)C(=O)O OR451082 [0,1,0,1,0,0|0,0,2]=4 90 B9R1.164 C[C@]1(F)C[C@H](C(=O)O)C1 PC402117 [0,1,0,1,0,0|0,0,2]=4 91 B5R0.5 C=C(F)C(=O)O PC4962 [0,0,0,0,2,0|1,0,1]=4 92 B5R0.5 CC(F)C(=O)O PC1057 [0,0,0,0,2,0|1,0,1]=4 93 B9R0.55 CC(=O)NCCCC(=O)O OR22610 [0,0,0,0,0,2|1,0,1]=4