0 B7R0.4 C=CCNCC(=O)O AC-32135 [1,0,0,0,0,0|1,0,0]=2 1 B7R0.4 CC(=O)CCCCBr AC-77132 [1,0,0,0,0,0|2,0,1]=4 2 B7R0.4 CNCCCC(=O)O AC-81313 [1,0,0,0,0,0|1,0,1]=3 3 B7R0.6 CC(C)NCC(=O)O AC-84846 [1,0,0,0,0,0|2,0,1]=4 4 B9R0.7 NC(=O)CCC(N)C(=O)O AC-17051 [0,1,0,0,0,0|2,0,0]=3 5 B9R0.7 NC(=O)[C@H](N)CCC(=O)O AC-80669 [0,1,0,0,0,0|1,0,0]=2 6 B9R0.7 NC(CCC(=O)O)C(=O)O AC-65809 [0,1,0,0,0,0|1,0,0]=2 7 B9R0.7 N[C@H](CCC(=O)O)C(=O)O AC-10287 [0,1,0,0,0,0|1,0,0]=2 8 B9R0.7 O=C(O)CCC(=O)C(=O)O AC-30094 [0,1,0,0,0,0|2,0,1]=4 9 B9R1.1 O=CC1CCC(=O)CC1 AC-88464 [0,0,0,1,0,0|3,0,0]=4 10 B9R1.35 C[C@@H]1CN[C@H](C(=O)O)C1 AC-66634 [0,0,0,1,0,0|2,0,1]=4 11 B9R1.35 NC1=CC=C(C(=O)O)N1 AC-94509 [0,0,0,1,0,0|1,0,2]=4 12 B9R1.35 N[C@@H]1CC[C@@H](C(=O)O)C1 AC-80367 [0,0,0,1,0,0|0,0,2]=3 13 B9R1.35 N[C@@H]1CC[C@H](C(=O)O)C1 AC-79269 [0,0,0,1,0,0|0,0,2]=3 14 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 AC-45056 [0,0,0,1,0,0|0,0,2]=3 15 B9R1.35 O=C(O)[C@@H]1C[C@H](F)CN1 AC-83227 [0,0,0,1,0,0|2,0,1]=4 16 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 AC-16840 [0,0,0,1,0,0|2,0,1]=4 17 B9R1.35 O=C(O)[C@H]1CC[C@@H](O)C1 AC-83990 [0,0,0,1,0,0|1,0,2]=4 18 B9R1.35 O=C(O)[C@H]1C[C@@H](F)CN1 AC-85839 [0,0,0,1,0,0|2,0,1]=4 19 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 AC-16841 [0,0,0,1,0,0|2,0,1]=4 20 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 AC-66775 [0,0,0,1,0,0|2,0,1]=4 21 B9R1.69 O=C1CCC(Br)C(=O)N1 AC-80847 [0,0,0,1,0,0|3,0,0]=4 22 B9R1.95 O=C(O)C1CC(CO)C1 AC-81419 [0,0,0,1,0,0|2,0,1]=4 23 B7R0.2 NCC(O)CC(=O)O AC-58569 [0,0,0,0,1,0|2,0,1]=4 24 B7R0.2 NC[C@H](O)CC(=O)O AC-19148 [0,0,0,0,1,0|2,0,1]=4 25 B6R0.4 CC(=O)CCCBr AC-77239 [2,0,0,0,0,0|2,0,0]=4 26 B6R0.4 CC(=O)CCCCl AC-35279 [2,0,0,0,0,0|2,0,0]=4 27 B6R0.4 N#CCCC(=O)O AC-79263 [2,0,0,0,0,0|0,0,2]=4 28 B6R0.4 NCCCC(=O)O AC-22540 [2,0,0,0,0,0|0,0,0]=2 29 B6R0.4 O=C(O)CCCBr AC-34557 [2,0,0,0,0,0|1,0,0]=3 30 B8R0.7 NCCCCCC(=O)O AC-22667 [1,1,0,0,0,0|0,0,2]=4 31 B8R0.7 NCCCCCC(=O)O AC-74011 [1,1,0,0,0,0|0,0,2]=4 32 B8R0.7 O=C(O)CCCCCBr AC-80223 [1,1,0,0,0,0|0,0,2]=4 33 B8R0.28 CN(C)CCCC(=O)O AC-51576 [1,1,0,0,0,0|1,0,1]=4 34 B8R0.23 CC(C)CC(Br)C(=O)O AC-77294 [1,1,0,0,0,0|1,0,1]=4 35 B8R0.23 CC(C)CC(N)C(=O)O AC-10289 [1,1,0,0,0,0|1,0,1]=4 36 B8R0.23 CC(C)CC(O)C(=O)O AC-83999 [1,1,0,0,0,0|1,0,1]=4 37 B8R0.23 CC(C)C[C@@H](N)C(=O)O AC-16501 [1,1,0,0,0,0|1,0,1]=4 38 B8R0.23 CC(C)[C@@H](N)CC(=O)O AC-81175 [1,1,0,0,0,0|1,0,1]=4 39 B8R0.23 NC(=O)C[C@@H](N)C(=O)O AC-76859 [1,1,0,0,0,0|1,0,1]=4 40 B10R0.98 NC(CCCC(=O)O)C(=O)O AC-16197 [0,1,0,0,0,1|1,0,0]=3 41 B10R0.43 CC(C)(CCC(=O)O)C(=O)O AC-23418 [0,2,0,0,0,0|2,0,0]=4 42 B10R0.96 NC(CCC(=O)O)CC(=O)O AC-32492 [0,2,0,0,0,0|0,0,1]=3 43 B8R1.1 O=C1CC[C@@H](CO)N1 AC-45768 [1,0,0,1,0,0|1,0,1]=4 44 B8R1.1 O=C1CC[C@H](CBr)N1 AC-25275 [1,0,0,1,0,0|1,0,1]=4 45 B8R1.1 O=C1CC[C@H](CO)N1 AC-45740 [1,0,0,1,0,0|1,0,1]=4 46 B8R1.50 CC1CCC(=O)C1=O AC-13924 [1,0,0,1,0,0|2,0,0]=4 47 B8R1.50 CC1CCC(=O)C1=O AC-95075 [1,0,0,1,0,0|2,0,0]=4 48 B8R1.50 CC1CCC(=O)C1=O AC-96413 [1,0,0,1,0,0|2,0,0]=4 49 B8R1.50 NC1CCN(O)C1=O AC-87345 [1,0,0,1,0,0|2,0,0]=4 50 B8R1.4 NC1=CC(=O)CCC1 AC-32464 [1,0,0,1,0,0|2,0,0]=4 51 B8R1.4 O=C1CCCC(=O)O1 AC-61739 [1,0,0,1,0,0|1,0,0]=3 52 B8R1.7 O=C(O)C1C=CCO1 AC-94554 [1,0,0,1,0,0|1,0,0]=3 53 B8R1.7 O=C(O)C1CCCC1 AC-27255 [1,0,0,1,0,0|0,0,2]=4 54 B8R1.7 O=C(O)C1CCCN1 AC-19172 [1,0,0,1,0,0|1,0,1]=4 55 B8R1.7 O=C(O)C1CCOC1 AC-44952 [1,0,0,1,0,0|1,0,1]=4 56 B8R1.7 O=C(O)[C@@H]1C=CCN1 AC-82950 [1,0,0,1,0,0|1,0,0]=3 57 B8R1.7 O=C(O)[C@@H]1CCOC1 AC-63073 [1,0,0,1,0,0|1,0,1]=4 58 B8R1.7 O=C(O)[C@H]1CCCN1 AC-10596 [1,0,0,1,0,0|1,0,1]=4 59 B8R1.7 O=C(O)[C@H]1CCCO1 AC-10530 [1,0,0,1,0,0|1,0,1]=4 60 B8R1.7 O=C(O)[C@H]1CCNC1 AC-20499 [1,0,0,1,0,0|1,0,1]=4 61 B8R1.7 O=C(O)[C@H]1CCNC1 AC-63692 [1,0,0,1,0,0|1,0,1]=4 62 B8R1.7 O=C(O)[C@H]1CCOC1 AC-85377 [1,0,0,1,0,0|1,0,1]=4 63 B8R1.34 O=C(O)CC1CCC1 AC-45159 [1,0,0,1,0,0|0,0,2]=4 64 B8R1.34 O=C(O)CC1CNC1 AC-90589 [1,0,0,1,0,0|1,0,1]=4 65 B8R1.35 O=C(O)CCC1CC1 AC-45156 [1,0,0,1,0,0|0,0,2]=4 66 B8R1.23 CC1CC(C(=O)O)C1 AC-41624 [1,0,0,1,0,0|1,0,1]=4 67 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 AC-79281 [1,0,0,1,0,0|0,0,1]=3 68 B8R1.23 O=C(O)C1CC(Cl)C1 AC-88521 [1,0,0,1,0,0|1,0,1]=4 69 B8R1.23 O=C(O)C1CC(F)C1 AC-29373 [1,0,0,1,0,0|1,0,1]=4 70 B8R1.23 O=C(O)C1CC(O)C1 AC-37931 [1,0,0,1,0,0|1,0,1]=4 71 B8R1.23 O=C(O)[C@H]1C[C@@H](O)C1 AC-41630 [1,0,0,1,0,0|1,0,1]=4 72 B8R1.51 CC1(C)CCC(=O)O1 AC-83139 [1,0,0,1,0,0|1,0,1]=4 73 B8R1.77 CC1(C)CC1C(=O)O AC-93733 [1,0,0,1,0,0|1,0,1]=4 74 B8R1.77 CC1(C)C[C@@H]1C(=O)O AC-77496 [1,0,0,1,0,0|1,0,1]=4 75 B8R1.18 NC1CC(=O)OC1=O AC-81610 [0,0,0,1,1,0|1,0,0]=3 76 B8R1.18 NC1CC(=O)OC1=O AC-89262 [0,0,0,1,1,0|1,0,0]=3 77 B10R1.13 NC1CCC(C(=O)O)CC1 AC-83075 [0,0,0,1,0,1|0,0,2]=4 78 B10R1.13 N[C@H]1CC[C@H](C(=O)O)CC1 AC-22593 [0,0,0,1,0,1|0,0,2]=4 79 B10R1.54 NC1=NN(CC(=O)O)C=C1 AC-91636 [0,0,0,1,0,1|1,0,1]=4 80 B10R1.54 NC1CCN(CC(=O)O)C1 AC-91509 [0,0,0,1,0,1|0,0,2]=4 81 B10R1.349 O=C(O)C1CC(C(=O)O)C1 AC-84141 [0,1,0,1,0,0|2,0,0]=4 82 B10R1.113 NC1CCCC(C(=O)O)C1 AC-24444 [0,1,0,1,0,0|0,0,2]=4 83 B10R1.113 N[C@@H]1CCC[C@@H](C(=O)O)C1 AC-81150 [0,1,0,1,0,0|0,0,2]=4 84 B10R1.113 N[C@@H]1CCC[C@H](C(=O)O)C1 AC-80481 [0,1,0,1,0,0|0,0,2]=4 85 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 AC-35029 [0,1,0,1,0,0|0,0,2]=4 86 B10R1.66 O=C(O)CCC1=CC=CN1 AC-43159 [0,1,0,1,0,0|0,0,1]=3 87 B10R1.66 O=C(O)CCC1=CNC=C1 AC-93342 [0,1,0,1,0,0|0,0,1]=3 88 B10R1.66 O=C(O)CCC1=CNC=N1 AC-29787 [0,1,0,1,0,0|0,0,2]=4 89 B10R1.66 O=C(O)CCC1=NC=CN1 AC-84644 [0,1,0,1,0,0|0,0,1]=3 90 B10R1.66 O=C(O)CCC1=NC=CS1 AC-20018 [0,1,0,1,0,0|0,0,2]=4 91 B10R1.66 O=C(O)CCN1C=CC=N1 AC-50207 [0,1,0,1,0,0|1,0,1]=4 92 B6R0.2 C[C@@H](O)CC(=O)O AC-81110 [1,0,0,0,1,0|1,0,1]=4 93 B6R0.2 C[C@H](N)CC(=O)O AC-77208 [1,0,0,0,1,0|0,0,1]=3 94 B6R0.3 CCC(N)C(=O)O AC-12704 [0,0,0,0,2,0|0,0,2]=4 95 B6R0.3 CCC(N)C(=O)O AC-22541 [0,0,0,0,2,0|0,0,2]=4 96 B6R0.3 CC[C@@H](N)C(=O)O AC-12705 [0,0,0,0,2,0|0,0,2]=4 97 B6R0.3 NC(CS)C(=O)O AC-27295 [0,0,0,0,2,0|1,0,1]=4 98 B6R0.3 NC[C@@H](N)C(=O)O AC-80565 [0,0,0,0,2,0|1,0,1]=4 99 B6R0.3 NC[C@H](N)C(=O)O AC-32482 [0,0,0,0,2,0|1,0,1]=4