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[0,1,0,0,0,0|0,0,0]=1 17 B10R0.57 COC(=O)[C@H](N)CCC(N)=O Z3655 [0,1,0,0,0,0|1,0,0]=2 18 B10R0.57 [C@H](N)(CCC(=O)O)C(=O)OC V1174 [0,1,0,0,0,0|0,0,0]=1 19 B10R0.82 COC(=O)CCC(N)C(=O)O 7109AH [0,1,0,0,0,0|0,0,0]=1 20 B10R0.84 CNC(CCC(=O)O)C(=O)O 9803AJ [0,1,0,0,0,0|0,0,0]=1 21 B10R0.92 CS(=O)(=O)CCC(N)C(=O)O 7811AL [0,1,0,0,0,0|1,0,1]=3 22 B10R0.92 CS(=O)(=O)CC[C@H](N)C(=O)O 1359AC [0,1,0,0,0,0|1,0,1]=3 23 B10R0.92 NC(CCS(=O)(=O)O)C(=O)O 6636AH [0,1,0,0,0,0|1,0,0]=2 24 B10R0.92 NC(COP(=O)(O)O)C(=O)O 6642AH [0,1,0,0,0,0|2,0,0]=3 25 B10R0.92 N[C@@H](CCP(=O)(O)O)C(=O)O 3480AL [0,1,0,0,0,0|1,0,0]=2 26 B10R0.92 N[C@@H](COP(=O)(O)O)C(=O)O 7600AH [0,1,0,0,0,0|2,0,0]=3 27 B10R1.13 CC1=CCC(C(=O)O)CC1 6606AL [0,0,0,1,0,0|3,0,0]=4 28 B10R1.13 O=C(O)[C@H]1CC[C@@H](O)CC1 3218AL [0,0,0,1,0,0|2,0,1]=4 29 B10R1.13 O=C1CCC(C(=O)O)CN1 1361AB [0,0,0,1,0,0|2,0,0]=3 30 B10R1.58 CN1CC(C(=O)O)CC1=O V5890 [0,0,0,1,0,0|3,0,0]=4 31 B8R0.23 C=C(Br)C[C@@H](N)C(=O)O 2368AB [0,0,0,0,1,0|2,0,0]=3 32 B8R0.23 C=C(Br)C[C@H](N)C(=O)O 7577AA [0,0,0,0,1,0|2,0,0]=3 33 B8R0.23 CC(C)C(N)CC(=O)O X3317 [0,0,0,0,1,0|2,0,1]=4 34 B8R0.23 CC(C)[C@@H](N)CC(=O)O W6092 [0,0,0,0,1,0|2,0,1]=4 35 B8R0.23 CC(C)[C@H](N)CC(=O)O 1215AL [0,0,0,0,1,0|2,0,1]=4 36 B8R0.23 CC(NC(N)=O)C(=O)O 3202AL [0,0,0,0,1,0|3,0,0]=4 37 B8R0.23 C[C@@H](CC(=O)O)C(=O)O V1342 [0,0,0,0,1,0|1,0,0]=2 38 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O W5530 [0,0,0,0,1,0|1,0,1]=3 39 B8R0.23 NC(=O)C[C@H](N)C(N)=O 7075AH [0,0,0,0,1,0|2,0,0]=3 40 B8R0.23 NC(CC(=O)O)C(=O)[O-] 3294AL [0,0,0,0,1,0|0,0,1]=2 41 B8R0.23 NC(CC(=O)[O-])C(=O)O X5496 [0,0,0,0,1,0|0,0,1]=2 42 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)O 6072AH [0,0,0,0,1,0|0,0,1]=2 43 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)O 7299AH [0,0,0,0,1,0|0,0,1]=2 44 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)O 7654AH [0,0,0,0,1,0|0,0,1]=2 45 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)[O-] S499 [0,0,0,0,1,0|0,0,2]=3 46 B8R0.23 O=C(O)CC(Br)C(=O)O S343 [0,0,0,0,1,0|1,0,0]=2 47 B8R0.23 O=C(O)CC(O)C(=O)O 8844AL [0,0,0,0,1,0|1,0,0]=2 48 B10R0.96 CC(=O)CC(=O)CCC(=O)O 7197AB [0,0,0,0,0,1|2,0,1]=4 49 B10R0.96 NC(=O)CC[C@H](N)CC(=O)O Z5845 [0,0,0,0,0,1|1,0,0]=2 50 B10R0.96 NC(CCC(=O)O)CC(=O)O W6854 [0,0,0,0,0,1|0,0,0]=1 51 B7R0.4 C=CCNCC(=O)O Y8695 [2,0,0,0,0,0|2,0,0]=4 52 B7R0.4 CNCCCC(=O)O 2115AA [2,0,0,0,0,0|2,0,0]=4 53 B7R0.4 COCCCC(=O)O 2917AB [2,0,0,0,0,0|2,0,0]=4 54 B7R0.4 N#CCCCC(=O)O W5958 [2,0,0,0,0,0|1,0,1]=4 55 B7R0.4 NCCCCC(=O)O 9495AB [2,0,0,0,0,0|1,0,1]=4 56 B7R0.5 C=CC[C@@H](N)C(=O)O 1695AA [2,0,0,0,0,0|0,0,1]=3 57 B7R0.5 CC(NC=O)C(=O)O 6246AE [2,0,0,0,0,0|2,0,0]=4 58 B7R0.5 CCC[C@H](N)C(N)=O Z6420 [2,0,0,0,0,0|1,0,1]=4 59 B7R0.5 COCC(N)C(=O)O Z1926 [2,0,0,0,0,0|1,0,1]=4 60 B7R0.5 CSC[C@H](N)C(=O)O V1222 [2,0,0,0,0,0|1,0,1]=4 61 B7R0.5 NC(CCS)C(=O)O D600 [2,0,0,0,0,0|0,1,0]=3 62 B7R0.5 NCCC(N)C(=O)O X3169 [2,0,0,0,0,0|1,0,0]=3 63 B7R0.5 NCC[C@H](N)C(=O)O 0470AP [2,0,0,0,0,0|1,0,0]=3 64 B7R0.5 NCC[C@H](N)C(=O)O 7090AH [2,0,0,0,0,0|1,0,0]=3 65 B7R0.6 C=C(C)CCC(=O)O 0114AA [2,0,0,0,0,0|1,0,1]=4 66 B9R0.8 CCCCC(N)C(=O)OC V7712 [1,1,0,0,0,0|1,0,1]=4 67 B9R0.13 CN[C@@H](CCSC)C(=O)O 0563AP [1,1,0,0,0,0|2,0,0]=4 68 B9R0.47 CCCCCC(N)C(=O)O 2079AA [1,1,0,0,0,0|1,0,1]=4 69 B9R0.47 CCCCC[C@@H](N)C(=O)O 6195AB [1,1,0,0,0,0|1,0,1]=4 70 B9R0.47 CCSCC[C@@H](N)C(=O)O C618 [1,1,0,0,0,0|1,0,1]=4 71 B9R0.47 NCCCCC(N)C(=O)O 8604AJ [1,1,0,0,0,0|1,0,1]=4 72 B9R0.47 NCCCC[C@H](N)C(=O)O 9230AB [1,1,0,0,0,0|1,0,1]=4 73 B9R0.47 [N-]=[N+]=NCC[C@H](N)C(=O)O 4414AH [1,1,0,0,0,0|2,0,0]=4 74 B9R0.1 CCC(=O)CCCC(=O)O 1673AE [1,1,0,0,0,0|1,0,0]=3 75 B9R0.53 NC(CC(=O)O)CC(=O)O 3938AB [1,1,0,0,0,0|0,0,0]=2 76 B9R0.56 NS(=O)(=O)CCCC(=O)O Y5311 [1,1,0,0,0,0|1,0,1]=4 77 B9R0.39 CN[C@@H](CC(=O)O)C(=O)O Z5868 [0,1,0,0,1,0|0,0,0]=2 78 B9R0.79 NC(C(=O)O)C(O)C(=O)O 6063AL [0,1,0,0,1,0|0,0,0]=2 79 B9R0.79 O=C(O)C(Br)C(Br)C(=O)O H285 [0,1,0,0,1,0|1,0,0]=3 80 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O 1449AB [0,1,0,0,1,0|1,0,0]=3 81 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O Z7777 [0,1,0,0,1,0|1,0,0]=3 82 B9R0.79 O=C([O-])[C@H](O)[C@@H](O)C(=O)O 7183AF [0,1,0,0,1,0|1,0,1]=4 83 B11R0.150 CC(SSC(C)C(=O)O)C(=O)O 5146AL [0,1,0,0,0,1|2,0,0]=4 84 B11R0.308 C[C@@H](OP(=O)(O)O)[C@H](N)C(=O)O 8720AL [0,2,0,0,0,0|2,0,0]=4 85 B11R0.120 COC(=O)CCC(=O)C(=O)OC 3992AJ [0,2,0,0,0,0|1,0,1]=4 86 B11R0.120 COC(=O)CC[C@H](C)C(=O)OC 4200AL [0,2,0,0,0,0|1,0,0]=3 87 B9R1.6 O=C(O)C1CCCOC1 W8958 [1,0,0,1,0,0|1,0,1]=4 88 B9R1.6 O=C(O)[C@@H]1CCCCN1 W4435 [1,0,0,1,0,0|1,0,1]=4 89 B9R1.6 O=C(O)[C@H]1CC=CCC1 O030 [1,0,0,1,0,0|2,0,0]=4 90 B9R1.35 NC(=O)C1CCC(=O)N1 2959AL [1,0,0,1,0,0|1,0,0]=3 91 B9R1.35 O=C1CC(C(=O)O)CN1 1273AC [1,0,0,1,0,0|2,0,0]=4 92 B9R1.35 O=C1CCC(C(=O)O)C1 X3245 [1,0,0,1,0,0|1,0,0]=3 93 B9R1.35 O=C1CCC(C(=O)O)O1 Y8251 [1,0,0,1,0,0|1,0,0]=3 94 B9R1.35 O=C1CN[C@H](C(=O)O)C1 Z1691 [1,0,0,1,0,0|2,0,0]=4 95 B9R1.69 NC1CCC(=O)NC1=O 1594AB [1,0,0,1,0,0|1,0,0]=3 96 B9R1.112 NC(CC1CC1)C(=O)O 7919AA [1,0,0,1,0,0|1,0,1]=4 97 B9R1.163 CC1(C(=O)O)CCCO1 9217AB [1,0,0,1,0,0|1,0,1]=4 98 B11R1.175 O=C(O)C1CSC(C(=O)O)N1 9484AD [0,0,0,1,0,1|0,0,0]=2 99 B11R1.175 O=C(O)[C@H]1CC[C@@H](C(=O)O)C1 3901AC [0,0,0,1,0,1|1,0,0]=3 100 B11R1.220 CC1(C(=O)O)CCC(=O)CC1 1836AB [0,1,0,1,0,0|2,0,0]=4 101 B11R1.22 COC(=O)C1CCC(=O)NC1 W9779 [0,1,0,1,0,0|2,0,0]=4 102 B7R0.2 CCC(N)CC(=O)O W4035 [1,0,0,0,1,0|1,0,1]=4 103 B7R0.2 N[C@@H](CO)CC(=O)O W3594 [1,0,0,0,1,0|0,0,1]=3 104 B7R0.2 N[C@H](CO)CC(=O)O Z5676 [1,0,0,0,1,0|0,0,1]=3 105 B7R0.16 NC(=O)C(N)C(N)=O W7407 [0,0,0,0,2,0|2,0,0]=4 106 B9R0.4 CSCC[C@H](N)CC(=O)O Z5847 [1,0,0,0,0,1|2,0,0]=4 107 B9R0.55 O=C([O-])CCCCC(=O)[O-] 7021AL [1,0,0,0,0,1|0,0,2]=4 108 B11R0.29 CC(=N)NCCC[C@H](N)C(=O)O 1838AH [0,0,0,0,0,2|2,0,0]=4 109 B11R0.29 CC(=O)NCSC[C@H](N)C(=O)O 2857AB [0,0,0,0,0,2|1,0,0]=3 110 B11R0.29 N=C(N)NCCCC(N)C(=O)O 7553AF [0,0,0,0,0,2|2,0,0]=4 111 B11R0.29 N[C@@H](CSCCB(O)O)C(=O)O 1633AH [0,0,0,0,0,2|1,0,1]=4