0 B8R0.9 CCC(=O)CCC(=O)O 8820AC [0,0,0,0,0,0|1,0,3]=4 1 B8R0.9 CCS(=O)CCC(=O)O 4032AD [0,0,0,0,0,0|2,0,2]=4 2 B7R0.4 C=CCCCB(O)O V8690 [1,0,0,0,0,0|1,0,1]=3 3 B7R0.4 C=CCNCC(=O)O Y8695 [1,0,0,0,0,0|1,0,0]=2 4 B7R0.4 CC(=O)CCCCCl D718 [1,0,0,0,0,0|2,0,1]=4 5 B7R0.4 CCCOCC(=O)O 5344AE [1,0,0,0,0,0|1,0,2]=4 6 B7R0.4 CNCCCC(=O)O 2115AA [1,0,0,0,0,0|1,0,1]=3 7 B7R0.4 COCCCC(=O)O 2917AB [1,0,0,0,0,0|1,0,1]=3 8 B7R0.4 N#CCCCC(=O)O W5958 [1,0,0,0,0,0|1,0,1]=3 9 B7R0.4 NCCCCC(=O)O 9495AB [1,0,0,0,0,0|1,0,1]=3 10 B7R0.4 O=C(O)COCCCl Y5074 [1,0,0,0,0,0|2,0,1]=4 11 B7R0.6 C=C(C)CCC(=O)O 0114AA [1,0,0,0,0,0|1,0,1]=3 12 B7R0.6 CC(C)OCC(=O)O 0549AE [1,0,0,0,0,0|2,0,1]=4 13 B7R0.6 CC(Cl)CCC(=O)Cl 6146AJ [1,0,0,0,0,0|2,0,1]=4 14 B7R0.6 C[S+](C)CCC(=O)O 4030AL [1,0,0,0,0,0|2,0,1]=4 15 B9R0.7 C=C(C)C(=O)NCC(=O)O 1598AB [0,1,0,0,0,0|2,0,1]=4 16 B9R0.7 NC(=O)CC[C@H](N)C(N)=O 7141AH [0,1,0,0,0,0|2,0,0]=3 17 B9R0.7 NC(=O)NC[C@H](N)C(=O)O 6126AH [0,1,0,0,0,0|3,0,0]=4 18 B9R0.7 N[C@@H](CCC(=O)[O-])C(=O)O X5351 [0,1,0,0,0,0|1,0,1]=3 19 B9R0.23 CC[C@H](C)[C@H](N)CC(=O)O Z5767 [0,1,0,0,0,0|1,0,2]=4 20 B9R1.35 NC1CCC(C(=O)O)C1 9225AF [0,0,0,1,0,0|0,0,2]=3 21 B9R1.35 N[C@@H]1CC[C@H](C(=O)O)C1 Z7280 [0,0,0,1,0,0|0,0,2]=3 22 B9R1.35 N[C@@H]1CN[C@H](C(=O)O)C1 8248AA [0,0,0,1,0,0|1,0,1]=3 23 B9R1.35 N[C@H]1C=C[C@@H](C(=O)O)C1 X5640 [0,0,0,1,0,0|0,0,0]=1 24 B9R1.35 N[C@H]1C=C[C@@H](C(=O)O)C1 Y6712 [0,0,0,1,0,0|0,0,0]=1 25 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 Y6731 [0,0,0,1,0,0|0,0,2]=3 26 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 S949 [0,0,0,1,0,0|2,0,1]=4 27 B9R1.35 O=C(O)[C@@H]1C[C@H](F)CN1 S923 [0,0,0,1,0,0|2,0,1]=4 28 B9R1.35 O=C(O)[C@@H]1C[C@H](F)CN1 Z5573 [0,0,0,1,0,0|2,0,1]=4 29 B9R1.35 O=C(O)[C@H]1C[C@@H](F)CN1 W9014 [0,0,0,1,0,0|2,0,1]=4 30 B9R1.69 NC1CCC(=O)NC1=O 1594AB [0,0,0,1,0,0|2,0,0]=3 31 B7R0.2 CCC(N)CC(=O)O W4035 [0,0,0,0,1,0|0,0,2]=3 32 B7R0.2 CC[C@H](C)CC(=O)O 4847AJ [0,0,0,0,1,0|1,0,2]=4 33 B7R0.2 NC[C@H](O)CC(=O)O Z5048 [0,0,0,0,1,0|2,0,1]=4 34 B7R0.2 N[C@@H](CO)CC(=O)O W3594 [0,0,0,0,1,0|1,0,1]=3 35 B7R0.2 N[C@H](CO)CC(=O)O Z5676 [0,0,0,0,1,0|1,0,1]=3 36 B6R0.1 C=CC(O)CCC I123 [2,0,0,0,0,0|1,0,1]=4 37 B6R0.4 C=CCCB(O)O X0762 [2,0,0,0,0,0|1,0,1]=4 38 B6R0.4 C=C\C=C\C(=O)O Z4964 [2,0,0,0,0,0|0,0,2]=4 39 B6R0.4 CCNCC(=O)O X5133 [2,0,0,0,0,0|1,0,1]=4 40 B6R0.4 N#CCCC(=O)O W3483 [2,0,0,0,0,0|0,0,2]=4 41 B6R0.4 NC(=O)CCCCl Y1653 [2,0,0,0,0,0|2,0,0]=4 42 B6R0.4 NCCCC(N)=O 5556AA [2,0,0,0,0,0|1,0,0]=3 43 B6R0.6 C=CCCCCCl X6224 [2,0,0,0,0,0|1,0,1]=4 44 B8R0.7 C=CCCCCB(O)O N890 [1,1,0,0,0,0|1,0,1]=4 45 B8R0.7 C=CCCCCB(O)O Z7102 [1,1,0,0,0,0|1,0,1]=4 46 B8R0.7 C=CCCCOC(C)=O 6663AL [1,1,0,0,0,0|1,0,0]=3 47 B8R0.7 NCCCCCC(=O)O 5982AB [1,1,0,0,0,0|0,0,2]=4 48 B8R0.7 NCCCNCC(=O)O 8332AL [1,1,0,0,0,0|1,0,1]=4 49 B8R0.23 C=C(Br)C[C@@H](N)C(=O)O 2368AB [1,1,0,0,0,0|1,0,1]=4 50 B8R0.23 C=C(Br)C[C@H](N)C(=O)O 7577AA [1,1,0,0,0,0|1,0,1]=4 51 B8R0.23 CC(C)C(N)CC(=O)O X3317 [1,1,0,0,0,0|1,0,1]=4 52 B8R0.23 CC(C)CC(Br)C(=O)O X2075 [1,1,0,0,0,0|1,0,1]=4 53 B8R0.23 CC(C)CC(O)C(=O)O C466 [1,1,0,0,0,0|1,0,1]=4 54 B8R0.23 CC(C)C[C@@H](O)C(=O)O V4198 [1,1,0,0,0,0|1,0,1]=4 55 B8R0.23 CC(C)C[C@H](Cl)C(=O)O Z6036 [1,1,0,0,0,0|1,0,1]=4 56 B8R0.23 CC(C)[C@@H](N)CC(=O)O W6092 [1,1,0,0,0,0|1,0,1]=4 57 B8R0.23 CC(C)[C@H](N)CC(=O)O 1215AL [1,1,0,0,0,0|1,0,1]=4 58 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O W5530 [1,1,0,0,0,0|1,0,1]=4 59 B8R0.29 NS(=O)(=O)CCC(=O)O W3363 [1,1,0,0,0,0|2,0,0]=4 60 B10R0.84 CNC(CCC(=O)O)C(=O)O 9803AJ [0,2,0,0,0,0|1,0,0]=3 61 B10R0.92 NC(CCS(=O)(=O)O)C(=O)O 6636AH [0,2,0,0,0,0|2,0,0]=4 62 B10R0.92 N[C@@H](CCP(=O)(O)O)C(=O)O 3480AL [0,2,0,0,0,0|2,0,0]=4 63 B10R0.96 NC(=O)CC[C@H](N)CC(=O)O Z5845 [0,2,0,0,0,0|1,0,1]=4 64 B10R0.96 NC(CCC(=O)O)CC(=O)O W6854 [0,2,0,0,0,0|0,0,1]=3 65 B8R1.1 NCC1CCC(=O)N1 2507AA [1,0,0,1,0,0|1,0,1]=4 66 B8R1.1 O=C1CC[C@@H](CBr)N1 W8109 [1,0,0,1,0,0|1,0,1]=4 67 B8R1.1 O=C1CC[C@H](CBr)N1 W9851 [1,0,0,1,0,0|1,0,1]=4 68 B8R1.50 CC1CCC(=O)C1=O 6795AA [1,0,0,1,0,0|2,0,0]=4 69 B8R1.7 O=C(O)C1CCNC1 W9737 [1,0,0,1,0,0|1,0,1]=4 70 B8R1.7 O=C(O)[C@@H]1C=CCN1 W4258 [1,0,0,1,0,0|1,0,0]=3 71 B8R1.7 O=C(O)[C@@H]1CCNC1 1252AC [1,0,0,1,0,0|1,0,1]=4 72 B8R1.7 O=C(O)[C@H]1CCNC1 1251AC [1,0,0,1,0,0|1,0,1]=4 73 B8R1.7 O=C(O)[C@H]1CCNC1 X9011 [1,0,0,1,0,0|1,0,1]=4 74 B8R1.34 O=C(O)CC1CCC1 W7672 [1,0,0,1,0,0|0,0,2]=4 75 B8R1.34 O=C(O)CC1COC1 3631AD [1,0,0,1,0,0|1,0,1]=4 76 B8R1.35 O=C(O)CCC1CC1 8214AB [1,0,0,1,0,0|0,0,2]=4 77 B8R1.23 C=C1CC(C(=O)O)C1 Y3237 [1,0,0,1,0,0|1,0,1]=4 78 B8R1.23 CC1CC(C(=O)O)C1 W7069 [1,0,0,1,0,0|1,0,1]=4 79 B8R1.23 O=C(O)C1CC(O)C1 W4156 [1,0,0,1,0,0|1,0,1]=4 80 B8R1.77 CC1(C)C[C@@H]1C(=O)O Z4170 [1,0,0,1,0,0|1,0,1]=4 81 B8R1.18 N[C@@H]1CC(=O)OC1=O W3122 [0,0,0,1,1,0|1,0,0]=3 82 B10R1.13 NC1CCC(C(=O)O)CC1 0769AF [0,0,0,1,0,1|0,0,2]=4 83 B10R1.13 N[C@H]1CC[C@H](C(=O)O)CC1 X0367 [0,0,0,1,0,1|0,0,2]=4 84 B10R1.13 N[C@H]1CC[C@H](C(=O)O)CC1 X2034 [0,0,0,1,0,1|0,0,2]=4 85 B10R1.54 CC(=O)O[C@H]1C=C[C@@H](O)C1 X6355 [0,0,0,1,0,1|2,0,0]=4 86 B10R1.63 CC1(C)CCC(=O)OC1=O 5135AL [0,1,0,1,0,0|2,0,0]=4 87 B10R1.113 NC1CCCC(C(=O)O)C1 5989AL [0,1,0,1,0,0|0,0,2]=4 88 B10R1.113 N[C@@H]1CCC[C@H](C(=O)O)C1 4020AL [0,1,0,1,0,0|0,0,2]=4 89 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 8462AA [0,1,0,1,0,0|0,0,2]=4 90 B10R1.66 O=C(O)CCC1=NC=CS1 W3145 [0,1,0,1,0,0|0,0,2]=4 91 B10R1.66 O=C(O)CCN1C=CC=C1 2198AF [0,1,0,1,0,0|2,0,0]=4 92 B10R1.66 O=C(O)CCN1C=CC=N1 2350AF [0,1,0,1,0,0|1,0,1]=4 93 B10R1.66 O=C(O)CCN1C=NC=N1 V7679 [0,1,0,1,0,0|1,0,1]=4 94 B6R0.2 CC(Cl)CC(=O)O 7238AF [1,0,0,0,1,0|1,0,1]=4 95 B6R0.2 CC(N)CC(=O)O 3162AL [1,0,0,0,1,0|0,0,1]=3 96 B6R0.2 C[C@@H](N)CC(=O)O Z5926 [1,0,0,0,1,0|0,0,1]=3 97 B6R0.2 C[C@H](N)CC(=O)O W5861 [1,0,0,0,1,0|0,0,1]=3 98 B6R0.3 NC(CCl)C(=O)O 1396AE [0,0,0,0,2,0|1,0,1]=4 99 B6R0.3 NCC(N)C(=O)O 3293AL [0,0,0,0,2,0|1,0,1]=4 100 B6R0.3 NCC(N)C(=O)O V0517 [0,0,0,0,2,0|1,0,1]=4 101 B6R0.3 N[C@@H](CCl)C(=O)O W6670 [0,0,0,0,2,0|1,0,1]=4 102 B6R0.3 N[C@H](CCl)C(=O)O 3161AL [0,0,0,0,2,0|1,0,1]=4