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16 B8R0.8 C(C[C@H](C(=O)O)N)CN HAA1041 [0,0,1,0,0,0|1,0,1]=3 17 B8R0.8 C([C@@H](C(=O)O)N)N=[N+]=[N-] HAA1880 [0,0,1,0,0,0|3,0,0]=4 18 B8R0.8 C([C@H](C(=O)O)N)N=[N+]=[N-] HAA1885 [0,0,1,0,0,0|3,0,0]=4 19 B8R0.8 CCCC[C@@H](C(=O)O)N HAA1113 [0,0,1,0,0,0|1,0,1]=3 20 B8R0.8 CCCC[C@H](C(=O)O)N HAA1039 [0,0,1,0,0,0|1,0,1]=3 21 B8R0.8 CSCC[C@@H](C(=O)N)N HAA6930 [0,0,1,0,0,0|3,0,0]=4 22 B8R0.8 CSCC[C@@H](C(=O)O)N HAA1109 [0,0,1,0,0,0|2,0,0]=3 23 B8R0.8 CSCC[C@H](C(=O)O)N HAA1037 [0,0,1,0,0,0|2,0,0]=3 24 B8R0.23 C([C@@H](C(=O)O)N)C(=O)N HAA1070 [0,0,1,0,0,0|3,0,0]=4 25 B8R0.23 C([C@@H](C(=O)O)N)C(=O)O HAA1073 [0,0,1,0,0,0|3,0,0]=4 26 B8R0.23 C([C@H](C(=O)O)N)C(=O)N HAA1010 [0,0,1,0,0,0|3,0,0]=4 27 B8R0.23 C([C@H](C(=O)O)N)C(=O)O HAA1013 [0,0,1,0,0,0|3,0,0]=4 28 B8R0.23 C[C@@H](C(=O)O)NC(=O)C AAA1911 [0,0,1,0,0,0|0,0,0]=1 29 B8R0.23 C[C@H](C(=O)O)NC(=O)C AAA1909 [0,0,1,0,0,0|0,0,0]=1 30 B8R0.28 CC(=O)NCCC(=O)N AAA1906 [0,0,1,0,0,0|2,0,0]=3 31 B8R0.28 CC(=O)NCCC(=O)O AAA1907 [0,0,1,0,0,0|2,0,0]=3 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[1,0,1,0,0,0|0,0,0]=2 49 B7R1.1 C1C[C@@H](NC1)CO HAL1025 [2,0,0,0,0,0|0,0,2]=4 50 B7R1.1 C1C[C@H](NC1)CO FAL1015 [2,0,0,0,0,0|0,0,2]=4 51 B9R0.7 C(CC(=O)N)[C@@H](C(=O)O)N HAA1083 [0,1,1,0,0,0|0,0,0]=2 52 B9R0.7 C(CC(=O)N)[C@H](C(=O)O)N HAA1021 [0,1,1,0,0,0|0,0,0]=2 53 B9R0.7 C(CC(=O)O)[C@@H](C(=O)O)N HAA1087 [0,1,1,0,0,0|0,0,0]=2 54 B9R0.7 C([C@@H](C(=O)O)N)NC(=O)N HAA8150 [0,1,1,0,0,0|1,0,0]=3 55 B9R0.7 CC(C)CC[C@@H](C(=O)O)N HAA2290 [0,1,1,0,0,0|1,0,1]=4 56 B9R0.7 CS(=O)CCC(C(=O)O)N HAA8160 [0,1,1,0,0,0|1,0,0]=3 57 B9R0.8 CCCC[C@H](C(=O)OC)N HAA6370 [0,1,1,0,0,0|1,0,1]=4 58 B9R0.8 COC(=O)[C@@H](CCSC)N HAA6360 [0,1,1,0,0,0|2,0,0]=4 59 B9R0.8 COC(=O)[C@H](CCCN)N HAA7000 [0,1,1,0,0,0|1,0,1]=4 60 B9R0.8 COC(=O)[C@H](CCSC)N HAA6950 [0,1,1,0,0,0|2,0,0]=4 61 B9R0.47 C#CCOC[C@@H](C(=O)O)N HAA2355 [0,1,1,0,0,0|1,0,1]=4 62 B9R0.47 C#CCSC[C@@H](C(=O)O)N HAA2350 [0,1,1,0,0,0|1,0,1]=4 63 B9R0.47 C(CCN)C[C@@H](C(=O)O)N HAA1097 [0,1,1,0,0,0|1,0,1]=4 64 B9R0.47 C(CCN)C[C@H](C(=O)O)N HAA1033 [0,1,1,0,0,0|1,0,1]=4 65 B9R0.47 C(CN=[N+]=[N-])[C@@H](C(=O)O)N HAA5730 [0,1,1,0,0,0|2,0,0]=4 66 B9R0.47 C(CN=[N+]=[N-])[C@H](C(=O)O)N HAA1630 [0,1,1,0,0,0|2,0,0]=4 67 B9R0.47 C(CO)NC[C@@H](C(=O)O)N HAA1700 [0,1,1,0,0,0|0,0,2]=4 68 B9R0.47 C(CO)NC[C@H](C(=O)O)N HAA1705 [0,1,1,0,0,0|0,0,2]=4 69 B9R0.39 CC(=O)N[C@@H](CS)C(=O)O AAA1300 [0,1,1,0,0,0|1,0,0]=3 70 B9R0.11 C[C@@](CC(=O)O)(C(=O)O)N HAA7540 [0,1,1,0,0,0|2,0,0]=4 71 B9R0.11 C[C@](CC(=O)O)(C(=O)O)N HAA7550 [0,1,1,0,0,0|2,0,0]=4 72 B9R0.1 CC(=O)NCCC(=O)OC AAA1908 [0,1,1,0,0,0|2,0,0]=4 73 B9R0.53 C(C(CC(=O)O)N)C(=O)O HAA8480 [0,1,1,0,0,0|1,0,0]=3 74 B9R1.11 COC(=O)[C@@H]1C=CCN1 HAA6190 [1,1,0,0,0,0|2,0,0]=4 75 B9R1.11 COC(=O)[C@@H]1CCCN1 HAA1127 [1,1,0,0,0,0|0,0,1]=3 76 B9R1.11 COC(=O)[C@H]1CCCN1 HAA6510 [1,1,0,0,0,0|0,0,1]=3 77 B9R1.41 C1C=C[C@@H]([C@@H]1C(=O)O)N HAA2400 [1,1,0,0,0,0|1,0,1]=4 78 B9R1.41 C1C=C[C@@H]([C@@H]1C(=O)O)N HAA2590 [1,1,0,0,0,0|1,0,1]=4 79 B9R1.41 C1C[C@H]([C@H](C1)N)C(=O)O HAA2365 [1,1,0,0,0,0|1,0,1]=4 80 B9R1.41 C1C[C@H]([C@H](C1)N)C(=O)O HAA2555 [1,1,0,0,0,0|1,0,1]=4 81 B9R1.41 CN1CCC[C@H]1C(=O)O HAA2250 [1,1,0,0,0,0|0,0,1]=3 82 B9R1.41 C[C@@H]1CCN[C@H]1C(=O)O HAA1785 [1,1,0,0,0,0|0,0,1]=3 83 B9R1.41 C[C@H]1CCN[C@@H]1C(=O)O HAA1780 [1,1,0,0,0,0|0,0,1]=3 84 B9R1.163 C1CCC(C1)(C(=O)O)N HAA1555 [1,1,0,0,0,0|1,0,1]=4 85 B9R1.163 C[C@@]1(CCCN1)C(=O)O HAA1561 [1,1,0,0,0,0|0,0,1]=3 86 B9R1.163 C[C@]1(CCCN1)C(=O)O HAA1228 [1,1,0,0,0,0|0,0,1]=3 87 B11R1.220 C1CC(CCC1=O)(C(=O)O)N HAA1603 [0,1,0,0,0,1|1,0,0]=3 88 B9R1.6 C1CCN[C@@H](C1)C(=O)O HAA1124 [0,0,1,1,0,0|1,0,1]=4 89 B9R1.6 C1CCN[C@H](C1)C(=O)O HAA6470 [0,0,1,1,0,0|1,0,1]=4 90 B9R0.4 C=CCCC(CC(=O)O)N HAA2440 [0,0,1,0,0,1|1,0,0]=3 91 B9R0.4 C=CCCC(CC(=O)O)N HAA2630 [0,0,1,0,0,1|1,0,0]=3 92 B9R0.4 CCCCC(CC(=O)O)N HAA2450 [0,0,1,0,0,1|1,0,1]=4 93 B9R0.4 CCCCC(CC(=O)O)N HAA2640 [0,0,1,0,0,1|1,0,1]=4 94 B9R0.4 CSCC[C@@H](CC(=O)O)N HAA8540 [0,0,1,0,0,1|2,0,0]=4 95 B9R1.13 C1C[C@@H](NC1)CC(=O)O HAA8450 [1,0,0,0,0,1|0,0,1]=3 96 B9R1.13 C1C[C@H](NC1)CC(=O)O HAA8560 [1,0,0,0,0,1|0,0,1]=3