0 B7R0.9 CC(C)(O)CC(=O)[O-] AC-20085 [0,0,0,0,0,0|1,1,2]=4 1 B7R0.9 CC(O)CC(C)(C)O AC-13749 [0,0,0,0,0,0|0,1,0]=1 2 B7R0.9 C[N+](C)(C)CC(=O)O AC-34957 [0,0,0,0,0,0|3,0,1]=4 3 B6R0.2 CC(C)CB(O)O AC-24794 [1,0,0,0,0,0|2,0,0]=3 4 B6R0.2 CC(O)CC(=O)O AC-5701 [1,0,0,0,0,0|1,1,1]=4 5 B6R0.2 CN(C)CC(=O)O AC-30735 [1,0,0,0,0,0|2,0,1]=4 6 B6R0.2 C[C@@H](N)CC(=O)O AC-22067 [1,0,0,0,0,0|2,0,1]=4 7 B6R0.2 C[C@H](N)CC(=O)O AC-5698 [1,0,0,0,0,0|2,0,1]=4 8 B6R0.2 C[C@H](O)CC(=O)[O-] AC-13946 [1,0,0,0,0,0|1,1,1]=4 9 B8R0.27 CC(C)(C)C(N)C(=O)O AC-24097 [0,1,0,0,0,0|2,0,1]=4 10 B8R0.27 CC(C)(C)[C@@H](N)C(=O)O AC-24096 [0,1,0,0,0,0|2,0,1]=4 11 B8R0.27 CC(C)(C)[C@H](N)C(=O)O AC-1454 [0,1,0,0,0,0|2,0,1]=4 12 B8R0.27 CC(C)(C)[C@H](N)C(=O)O AC-4269 [0,1,0,0,0,0|2,0,1]=4 13 B8R0.27 [C@H](N)(C(=O)O)C(C)(C)O AC-049 [0,1,0,0,0,0|1,1,1]=4 14 B8R0.27 [C@H](N)(C(=O)O)C(C)(C)O AC-1524 [0,1,0,0,0,0|1,1,1]=4 15 B8R1.77 CC1(C)CC1C(=O)O AC-13096 [0,0,0,1,0,0|2,0,1]=4 16 B8R1.77 CC1(C)C[C@@H]1C(=O)O AC-9861 [0,0,0,1,0,0|2,0,1]=4 17 B6R0.7 CC(C)(Cl)C(=O)O AC-5641 [0,0,0,0,1,0|2,0,1]=4 18 B6R0.7 CC(C)(N)C(=O)O AC-2694 [0,0,0,0,1,0|2,0,1]=4 19 B8R0.29 CC(C)(C)NCC(=O)O AC-22361 [0,0,0,0,0,1|2,0,1]=4 20 B5R0.1 COC[C@@H](C)N AC-28410 [2,0,0,0,0,0|2,0,0]=4 21 B5R0.1 C[C@@H](O)CCO AC-5640 [2,0,0,0,0,0|0,1,0]=3 22 B5R0.1 O=C(O)CCS AC-4722 [2,0,0,0,0,0|1,0,1]=4 23 B5R0.4 CC(C)(C)CN AC-26539 [2,0,0,0,0,0|2,0,0]=4 24 B5R0.4 CC(C)(O)CN AC-25613 [2,0,0,0,0,0|1,1,0]=4 25 B7R0.2 CC(C)C[C@@H](N)CO AC-24086 [1,1,0,0,0,0|1,0,0]=3 26 B7R0.2 CCC(C)CC(C)N AC-369 [1,1,0,0,0,0|1,0,0]=3 27 B7R0.2 COC(=O)C[C@@H](C)O AC-25565 [1,1,0,0,0,0|0,1,1]=4 28 B7R0.2 COC(=O)C[C@H](C)O AC-25566 [1,1,0,0,0,0|0,1,1]=4 29 B7R0.2 [C@@H](N)(CO)CC(C)C AC-1342 [1,1,0,0,0,0|1,0,0]=3 30 B7R0.16 CC(C)C(N)C(=O)O AC-24062 [1,1,0,0,0,0|1,0,1]=4 31 B7R0.16 CC(C)[C@@H](Br)C(=O)O AC-23805 [1,1,0,0,0,0|1,0,1]=4 32 B7R0.16 CC(C)[C@@H](Br)C(=O)O AC-5643 [1,1,0,0,0,0|1,0,1]=4 33 B7R0.16 CC(C)[C@@H](N)C(=O)O AC-24061 [1,1,0,0,0,0|1,0,1]=4 34 B7R0.14 CC(C)(C)[C@H](N)CO AC-35147 [1,1,0,0,0,0|1,0,0]=3 35 B7R0.17 CC(C)(O)C(C)(C)O AC-4658 [0,1,0,0,1,0|0,1,0]=3 36 B9R0.21 CC(C)(C)NC[C@H](O)CO AC-32128 [0,1,0,0,0,1|1,0,0]=3 37 B9R0.21 CC(C)(C)NC[C@H](O)CO AC-8486 [0,1,0,0,0,1|1,0,0]=3 38 B9R0.77 CC(C)(Cl)CCC(C)(C)Cl AC-22527 [0,1,0,0,0,1|2,0,0]=4 39 B7R1.2 CN1CCC(O)C1 AC-6615 [1,0,0,1,0,0|1,0,0]=3 40 B7R1.2 CN1CC[C@@H](O)C1 AC-6781 [1,0,0,1,0,0|1,0,0]=3 41 B7R1.2 CN1CC[C@H](O)C1 AC-7092 [1,0,0,1,0,0|1,0,0]=3 42 B7R1.2 NC1CCC(O)C1 AC-33552 [1,0,0,1,0,0|1,0,0]=3 43 B7R1.2 N[C@H]1CC[C@@H](O)C1 AC-30659 [1,0,0,1,0,0|1,0,0]=3 44 B7R1.2 N[C@H]1CC[C@@H](O)C1 AC-31322 [1,0,0,1,0,0|1,0,0]=3 45 B7R1.12 CC1CC1C(=O)O AC-26542 [1,0,0,1,0,0|1,0,1]=4 46 B7R1.12 O=C(O)C1CC1S AC-6276 [1,0,0,1,0,0|1,0,1]=4 47 B7R1.20 O=C(O)CC1CC1 AC-1476 [1,0,0,1,0,0|1,0,1]=4 48 B7R1.14 CC1(O)CCCC1 AC-8842 [1,0,0,1,0,0|0,1,0]=3 49 B9R1.51 CC(C)(C)N1CC(O)C1 AC-5729 [0,0,0,1,0,1|1,0,0]=3 50 B9R1.66 CC1(C)CC(O)CCN1 AC-30469 [0,1,0,1,0,0|1,0,0]=3 51 B9R1.133 CC1(C)OCC(CO)O1 AC-364 [0,1,0,1,0,0|1,1,0]=4 52 B9R1.133 CC1(C)OC[C@H](CO)O1 AC-6134 [0,1,0,1,0,0|1,1,0]=4 53 B5R0.5 C[C@@H](O)[C@@H](C)O AC-26496 [1,0,0,0,1,0|0,1,0]=3 54 B5R0.5 C[C@H](O)[C@H](C)O AC-26495 [1,0,0,0,1,0|0,1,0]=3