0 B4R0.1 CC(=O)NN AC-24092 [0,0,0,0,0,0|3,0,1]=4 1 B4R0.1 CC(=O)NO AC-13161 [0,0,0,0,0,0|2,0,2]=4 2 B4R0.1 CCC(O)O AC-11575 [0,0,0,0,0,0|3,0,1]=4 3 B4R0.1 CCC(O)O AC-11576 [0,0,0,0,0,0|3,0,1]=4 4 B4R0.1 C[C@H](N)CN AC-75237 [0,0,0,0,0,0|2,0,1]=3 5 B4R0.1 C[C@H](N)CO AC-14576 [0,0,0,0,0,0|1,0,2]=3 6 B3R0.1 N#CCN AC-22471 [1,0,0,0,0,0|2,0,1]=4 7 B5R0.1 C[C@@H](N)CCO AC-68296 [0,1,0,0,0,0|1,0,2]=4 8 B5R0.3 CCC(N)CO AC-76788 [0,1,0,0,0,0|1,0,2]=4 9 B5R0.3 NCC(O)CO AC-15144 [0,1,0,0,0,0|1,0,2]=4 10 B5R0.3 NC[C@@H](O)CO AC-12808 [0,1,0,0,0,0|1,0,2]=4 11 B5R0.3 NC[C@H](O)CO AC-74173 [0,1,0,0,0,0|1,0,2]=4 12 B5R0.3 OC[C@@H](O)CCl AC-11570 [0,1,0,0,0,0|1,0,2]=4 13 B5R0.4 CC(C)(N)C#N AC-76966 [0,1,0,0,0,0|1,0,1]=3 14 B5R0.5 CC(C)B(O)O AC-75312 [0,1,0,0,0,0|1,0,1]=3 15 B5R0.5 CC(S)C(=O)O AC-65008 [0,1,0,0,0,0|1,0,0]=2 16 B5R0.5 C[C@@H](N)C(N)=O AC-77271 [0,1,0,0,0,0|1,0,0]=2 17 B5R0.5 C[C@H](N)C(=O)O AC-77155 [0,1,0,0,0,0|1,0,0]=2 18 B5R0.5 C[C@H](N)C(N)=O AC-11061 [0,1,0,0,0,0|1,0,0]=2 19 B5R0.5 O=C(O)C(F)F AC-18400 [0,1,0,0,0,0|2,0,0]=3 20 B5R1.2 BrC1CNC1 AC-70718 [0,0,0,1,0,0|2,0,1]=4 21 B5R1.2 CC1CNC1 AC-70645 [0,0,0,1,0,0|1,0,1]=3 22 B5R1.2 ClC1CNC1 AC-70638 [0,0,0,1,0,0|2,0,1]=4 23 B5R1.2 FC1CNC1 AC-39080 [0,0,0,1,0,0|2,0,1]=4 24 B5R1.2 NC1CCC1 AC-60987 [0,0,0,1,0,0|2,0,1]=4 25 B5R1.2 NC1CNC1 AC-39028 [0,0,0,1,0,0|2,0,1]=4 26 B5R1.2 NC1CNC1 AC-70603 [0,0,0,1,0,0|2,0,1]=4 27 B5R1.3 BrCC1CC1 AC-14412 [0,0,0,1,0,0|1,0,1]=3 28 B5R1.3 CNC1CC1 AC-37971 [0,0,0,1,0,0|2,0,0]=3 29 B5R1.3 ClCC1CC1 AC-37554 [0,0,0,1,0,0|1,0,1]=3 30 B5R1.3 N#CC1CC1 AC-10485 [0,0,0,1,0,0|1,0,1]=3 31 B5R1.3 NNC1CC1 AC-75900 [0,0,0,1,0,0|2,0,0]=3 32 B5R1.3 NNC1CC1 AC-75901 [0,0,0,1,0,0|2,0,0]=3 33 B5R1.3 NNC1CC1 AC-89330 [0,0,0,1,0,0|2,0,0]=3 34 B4R0.2 CNCC#N AC-61557 [1,1,0,0,0,0|1,0,1]=4 35 B4R0.2 CSCCN AC-56055 [1,1,0,0,0,0|1,0,1]=4 36 B6R0.2 CC(C)=CB(O)O AC-73974 [0,2,0,0,0,0|0,0,2]=4 37 B6R0.2 CC(C)CB(O)O AC-46050 [0,2,0,0,0,0|0,0,2]=4 38 B6R0.2 CN(C)CC(N)=S AC-28389 [0,2,0,0,0,0|1,1,0]=4 39 B6R0.2 C[C@@H](O)CC(=O)O AC-81110 [0,2,0,0,0,0|1,0,0]=3 40 B6R0.2 C[C@@H](O)CC(=O)[O-] AC-77270 [0,2,0,0,0,0|1,0,0]=3 41 B6R0.2 C[C@H](N)CC(=O)O AC-77208 [0,2,0,0,0,0|1,0,0]=3 42 B6R0.3 CCC(C)B(O)O AC-75313 [0,2,0,0,0,0|1,0,1]=4 43 B6R0.3 CCC(N)C(=O)O AC-12704 [0,2,0,0,0,0|1,0,0]=3 44 B6R0.3 CCC(N)C(=O)O AC-22541 [0,2,0,0,0,0|1,0,0]=3 45 B6R0.3 CCC(N)C(N)=O AC-12931 [0,2,0,0,0,0|1,0,0]=3 46 B6R0.3 CC[C@@H](N)C(=O)O AC-12705 [0,2,0,0,0,0|1,0,0]=3 47 B6R0.3 CN(C)C(=O)CN AC-80965 [0,2,0,0,0,0|1,0,0]=3 48 B6R0.3 COC(=O)C(C)N AC-10325 [0,2,0,0,0,0|1,0,0]=3 49 B6R0.3 COC(=O)[C@H](C)O AC-16717 [0,2,0,0,0,0|1,0,0]=3 50 B6R0.3 NC(CS)C(=O)O AC-27295 [0,2,0,0,0,0|1,0,0]=3 51 B6R0.3 NC[C@@H](N)C(=O)O AC-80565 [0,2,0,0,0,0|1,0,0]=3 52 B6R0.3 NC[C@H](N)C(=O)O AC-32482 [0,2,0,0,0,0|1,0,0]=3 53 B6R0.3 NC[C@H](O)C(=O)O AC-15048 [0,2,0,0,0,0|1,0,0]=3 54 B6R0.3 O=C(O)C(=O)CBr AC-66963 [0,2,0,0,0,0|1,0,1]=4 55 B6R0.7 CC(C)(Br)C(=O)Br AC-33430 [0,2,0,0,0,0|0,0,0]=2 56 B6R0.7 CC(C)(Br)C(=O)O AC-13633 [0,2,0,0,0,0|0,0,0]=2 57 B6R0.7 CC(C)(N)C(=O)O AC-22698 [0,2,0,0,0,0|0,0,0]=2 58 B6R0.7 CN(C)S(N)(=O)=O AC-26596 [0,2,0,0,0,0|2,0,0]=4 59 B6R0.7 NC(=O)C(F)(F)F AC-62671 [0,2,0,0,0,0|2,0,0]=4 60 B4R1.2 BrC1CC1 AC-17947 [1,0,0,1,0,0|1,0,1]=4 61 B4R1.2 C[C@@H]1CO1 AC-13228 [1,0,0,1,0,0|0,0,2]=4 62 B4R1.2 C[C@H]1CO1 AC-13231 [1,0,0,1,0,0|0,0,2]=4 63 B6R1.2 CC1CC=NN1 AC-87752 [0,1,0,1,0,0|2,0,0]=4 64 B6R1.2 CC1CCCN1 AC-44592 [0,1,0,1,0,0|1,0,1]=4 65 B6R1.2 CC1CCNC1 AC-41388 [0,1,0,1,0,0|1,0,1]=4 66 B6R1.2 C[C@@H]1CCCN1 AC-64584 [0,1,0,1,0,0|1,0,1]=4 67 B6R1.2 C[C@@H]1CCCN1 AC-75579 [0,1,0,1,0,0|1,0,1]=4 68 B6R1.2 C[C@H]1CCCN1 AC-64583 [0,1,0,1,0,0|1,0,1]=4 69 B6R1.2 NC1CC=CC1 AC-79830 [0,1,0,1,0,0|2,0,0]=4 70 B6R1.3 BrCCC1CC1 AC-71739 [0,1,0,1,0,0|1,0,1]=4 71 B6R1.3 CNCC1CC1 AC-44560 [0,1,0,1,0,0|1,0,1]=4 72 B6R1.3 ICCC1CC1 AC-87442 [0,1,0,1,0,0|1,0,1]=4 73 B6R1.3 NNCC1CC1 AC-75755 [0,1,0,1,0,0|1,0,1]=4 74 B6R1.10 CC1(N)CCC1 AC-58834 [0,1,0,1,0,0|1,0,1]=4 75 B6R1.10 CC1(N)COC1 AC-40072 [0,1,0,1,0,0|0,0,2]=4 76 B6R1.10 CC1(N)CSC1 AC-81990 [0,1,0,1,0,0|0,1,1]=4 77 B6R1.11 CC(N)C1CC1 AC-43331 [0,1,0,1,0,0|1,0,1]=4 78 B6R1.11 CC(N)C1CC1 AC-72240 [0,1,0,1,0,0|1,0,1]=4 79 B6R1.11 NC(=O)C1CC1 AC-35037 [0,1,0,1,0,0|0,0,0]=2 80 B6R1.11 O=C(O)C1CC1 AC-37568 [0,1,0,1,0,0|0,0,0]=2 81 B6R1.11 OB(O)C1CC1 AC-37891 [0,1,0,1,0,0|1,0,1]=4 82 B6R1.6 COC1CNC1 AC-70583 [0,1,0,1,0,0|1,0,1]=4 83 B6R1.6 NCC1CCN1 AC-59672 [0,1,0,1,0,0|1,0,1]=4 84 B6R1.6 NCC1COC1 AC-40088 [0,1,0,1,0,0|0,0,2]=4 85 B6R1.6 NNC1COC1 AC-87054 [0,1,0,1,0,0|2,0,0]=4 86 B6R1.6 O=CC1COC1 AC-87999 [0,1,0,1,0,0|0,0,0]=2 87 B6R1.6 OCC1CCO1 AC-27493 [0,1,0,1,0,0|0,0,2]=4 88 B6R1.6 OCC1CNC1 AC-39034 [0,1,0,1,0,0|0,0,2]=4 89 B6R1.7 C#CC1(N)CC1 AC-88642 [0,1,0,1,0,0|1,0,1]=4 90 B6R1.7 NCC1(N)CC1 AC-92348 [0,1,0,1,0,0|1,0,1]=4 91 B6R1.7 OCC1(F)CC1 AC-93892 [0,1,0,1,0,0|0,0,2]=4