0 B4R0.1 CC(=O)NN AC-24092 [0,0,0,0,0,0|2,0,2]=4 1 B4R0.1 CC(=O)NO AC-13161 [0,0,0,0,0,0|1,0,2]=3 2 B4R0.1 CCC(O)O AC-11575 [0,0,0,0,0,0|2,0,0]=2 3 B4R0.1 CCC(O)O AC-11576 [0,0,0,0,0,0|2,0,0]=2 4 B4R0.1 C[C@H](N)CN AC-75237 [0,0,0,0,0,0|2,0,0]=2 5 B4R0.1 C[C@H](N)CO AC-14576 [0,0,0,0,0,0|1,0,0]=1 6 B4R0.1 NC(=O)CBr AC-13350 [0,0,0,0,0,0|2,0,2]=4 7 B4R0.1 NCC(N)=O AC-16143 [0,0,0,0,0,0|2,0,2]=4 8 B4R0.1 NCC(N)=O AC-65789 [0,0,0,0,0,0|2,0,2]=4 9 B4R0.1 O=C(O)CO AC-77042 [0,0,0,0,0,0|1,0,1]=2 10 B3R0.1 N#CCN AC-22471 [1,0,0,0,0,0|2,0,1]=4 11 B5R0.1 C[C@@H](N)CCO AC-68296 [0,1,0,0,0,0|1,0,0]=2 12 B5R0.3 CCC(N)CO AC-76788 [0,1,0,0,0,0|1,0,0]=2 13 B5R0.3 NCC(O)CO AC-15144 [0,1,0,0,0,0|0,0,0]=1 14 B5R0.3 NC[C@@H](O)CO AC-12808 [0,1,0,0,0,0|0,0,0]=1 15 B5R0.3 NC[C@H](O)CO AC-74173 [0,1,0,0,0,0|0,0,0]=1 16 B5R0.3 OC[C@@H](O)CCl AC-11570 [0,1,0,0,0,0|0,0,0]=1 17 B5R0.4 CC(C)(N)C#N AC-76966 [0,1,0,0,0,0|2,0,1]=4 18 B5R0.5 CC(C)B(O)O AC-75312 [0,1,0,0,0,0|2,0,0]=3 19 B5R0.5 CC(S)C(=O)O AC-65008 [0,1,0,0,0,0|0,1,1]=3 20 B5R0.5 C[C@@H](N)C(N)=O AC-77271 [0,1,0,0,0,0|1,0,2]=4 21 B5R0.5 C[C@H](N)C(=O)O AC-77155 [0,1,0,0,0,0|1,0,1]=3 22 B5R0.5 C[C@H](N)C(N)=O AC-11061 [0,1,0,0,0,0|1,0,2]=4 23 B5R0.5 O=C(O)C(F)F AC-18400 [0,1,0,0,0,0|2,0,1]=4 24 B5R1.2 BrC1CNC1 AC-70718 [0,0,0,1,0,0|2,0,0]=3 25 B5R1.2 CC1CNC1 AC-70645 [0,0,0,1,0,0|2,0,0]=3 26 B5R1.2 ClC1CNC1 AC-70638 [0,0,0,1,0,0|2,0,0]=3 27 B5R1.2 FC1CNC1 AC-39080 [0,0,0,1,0,0|2,0,0]=3 28 B5R1.2 NC1CCC1 AC-60987 [0,0,0,1,0,0|2,0,0]=3 29 B5R1.2 NC1CNC1 AC-39028 [0,0,0,1,0,0|2,0,0]=3 30 B5R1.2 NC1CNC1 AC-70603 [0,0,0,1,0,0|2,0,0]=3 31 B5R1.2 O=C1CSC1 AC-80488 [0,0,0,1,0,0|0,1,2]=4 32 B5R1.3 BrCC1CC1 AC-14412 [0,0,0,1,0,0|2,0,0]=3 33 B5R1.3 CNC1CC1 AC-37971 [0,0,0,1,0,0|3,0,0]=4 34 B5R1.3 ClCC1CC1 AC-37554 [0,0,0,1,0,0|2,0,0]=3 35 B5R1.3 N#CC1CC1 AC-10485 [0,0,0,1,0,0|2,0,1]=4 36 B5R1.3 NNC1CC1 AC-75900 [0,0,0,1,0,0|3,0,0]=4 37 B5R1.3 NNC1CC1 AC-75901 [0,0,0,1,0,0|3,0,0]=4 38 B5R1.3 NNC1CC1 AC-89330 [0,0,0,1,0,0|3,0,0]=4 39 B4R0.2 CNCC#N AC-61557 [1,1,0,0,0,0|1,0,1]=4 40 B4R0.2 CSCCN AC-56055 [1,1,0,0,0,0|1,0,0]=3 41 B6R0.1 CCOC(=O)CO AC-76790 [0,2,0,0,0,0|0,0,2]=4 42 B6R0.1 N#CC[C@H](O)CCl AC-11571 [0,2,0,0,0,0|1,0,0]=3 43 B6R0.2 CC(C)CB(O)O AC-46050 [0,2,0,0,0,0|1,0,0]=3 44 B6R0.2 C[C@@H](O)CC(=O)O AC-81110 [0,2,0,0,0,0|0,0,0]=2 45 B6R0.2 C[C@@H](O)CC(=O)[O-] AC-77270 [0,2,0,0,0,0|0,0,1]=3 46 B6R0.2 C[C@H](N)CC(=O)O AC-77208 [0,2,0,0,0,0|1,0,0]=3 47 B6R0.3 CCC(C)B(O)O AC-75313 [0,2,0,0,0,0|1,0,0]=3 48 B6R0.3 CCC(N)C(=O)O AC-12704 [0,2,0,0,0,0|1,0,1]=4 49 B6R0.3 CCC(N)C(=O)O AC-22541 [0,2,0,0,0,0|1,0,1]=4 50 B6R0.3 CC[C@@H](N)C(=O)O AC-12705 [0,2,0,0,0,0|1,0,1]=4 51 B6R0.3 COC(=O)C(C)N AC-10325 [0,2,0,0,0,0|1,0,1]=4 52 B6R0.3 COC(=O)[C@H](C)O AC-16717 [0,2,0,0,0,0|0,0,1]=3 53 B6R0.3 NC(CS)C(=O)O AC-27295 [0,2,0,0,0,0|1,0,1]=4 54 B6R0.3 NC[C@@H](N)C(=O)O AC-80565 [0,2,0,0,0,0|1,0,1]=4 55 B6R0.3 NC[C@H](N)C(=O)O AC-32482 [0,2,0,0,0,0|1,0,1]=4 56 B6R0.3 NC[C@H](O)C(=O)O AC-15048 [0,2,0,0,0,0|0,0,1]=3 57 B6R0.7 CC(C)(Br)C(=O)O AC-13633 [0,2,0,0,0,0|1,0,1]=4 58 B6R0.7 CC(C)(N)C(=O)O AC-22698 [0,2,0,0,0,0|1,0,1]=4 59 B4R1.2 BrC1CC1 AC-17947 [1,0,0,1,0,0|1,0,0]=3 60 B4R1.2 C[C@@H]1CO1 AC-13228 [1,0,0,1,0,0|0,0,0]=2 61 B4R1.2 C[C@H]1CO1 AC-13231 [1,0,0,1,0,0|0,0,0]=2 62 B6R1.2 BrC1CCNC1 AC-83481 [0,1,0,1,0,0|2,0,0]=4 63 B6R1.2 CC1=NCCO1 AC-82993 [0,1,0,1,0,0|1,0,1]=4 64 B6R1.2 CC1CC=NN1 AC-87752 [0,1,0,1,0,0|2,0,0]=4 65 B6R1.2 CC1CCCN1 AC-44592 [0,1,0,1,0,0|2,0,0]=4 66 B6R1.2 CC1CCNC1 AC-41388 [0,1,0,1,0,0|2,0,0]=4 67 B6R1.2 C[C@@H]1CCCN1 AC-64584 [0,1,0,1,0,0|2,0,0]=4 68 B6R1.2 C[C@@H]1CCCN1 AC-75579 [0,1,0,1,0,0|2,0,0]=4 69 B6R1.2 C[C@H]1CCCN1 AC-64583 [0,1,0,1,0,0|2,0,0]=4 70 B6R1.2 FC1CCNC1 AC-80571 [0,1,0,1,0,0|2,0,0]=4 71 B6R1.2 F[C@H]1CCNC1 AC-23662 [0,1,0,1,0,0|2,0,0]=4 72 B6R1.2 IC1CCOC1 AC-43302 [0,1,0,1,0,0|1,0,0]=3 73 B6R1.2 NC1CC=CC1 AC-79830 [0,1,0,1,0,0|2,0,0]=4 74 B6R1.2 NC1CCOC1 AC-32068 [0,1,0,1,0,0|1,0,0]=3 75 B6R1.2 NC1CCOC1 AC-77272 [0,1,0,1,0,0|1,0,0]=3 76 B6R1.2 N[C@H]1CCNC1 AC-11448 [0,1,0,1,0,0|2,0,0]=4 77 B6R1.2 N[C@H]1CCOC1 AC-39277 [0,1,0,1,0,0|1,0,0]=3 78 B6R1.2 O=C1CCOC1 AC-39237 [0,1,0,1,0,0|0,0,2]=4 79 B6R1.2 OC1CCOC1 AC-17899 [0,1,0,1,0,0|0,0,0]=2 80 B6R1.2 O[C@@H]1CCNC1 AC-10540 [0,1,0,1,0,0|1,0,0]=3 81 B6R1.2 O[C@@H]1CCNC1 AC-75583 [0,1,0,1,0,0|1,0,0]=3 82 B6R1.2 O[C@H]1CCNC1 AC-10541 [0,1,0,1,0,0|1,0,0]=3 83 B6R1.2 O[C@H]1CCOC1 AC-65385 [0,1,0,1,0,0|0,0,0]=2 84 B6R1.3 BrCCC1CC1 AC-71739 [0,1,0,1,0,0|2,0,0]=4 85 B6R1.3 CNCC1CC1 AC-44560 [0,1,0,1,0,0|2,0,0]=4 86 B6R1.3 ICCC1CC1 AC-87442 [0,1,0,1,0,0|2,0,0]=4 87 B6R1.3 NNCC1CC1 AC-75755 [0,1,0,1,0,0|2,0,0]=4 88 B6R1.5 CN1CC(O)C1 AC-70584 [0,1,0,1,0,0|1,0,0]=3 89 B6R1.10 CC1(N)CCC1 AC-58834 [0,1,0,1,0,0|2,0,0]=4 90 B6R1.10 CC1(N)COC1 AC-40072 [0,1,0,1,0,0|1,0,0]=3 91 B6R1.10 CC1(N)CSC1 AC-81990 [0,1,0,1,0,0|1,1,0]=4 92 B6R1.10 FC1(F)COC1 AC-96392 [0,1,0,1,0,0|1,0,0]=3 93 B6R1.11 CC(N)C1CC1 AC-43331 [0,1,0,1,0,0|2,0,0]=4 94 B6R1.11 CC(N)C1CC1 AC-72240 [0,1,0,1,0,0|2,0,0]=4 95 B6R1.11 O=C(O)C1CC1 AC-37568 [0,1,0,1,0,0|1,0,1]=4 96 B6R1.11 OB(O)C1CC1 AC-37891 [0,1,0,1,0,0|2,0,0]=4 97 B6R1.6 COC1CNC1 AC-70583 [0,1,0,1,0,0|1,0,0]=3 98 B6R1.6 NCC1CCN1 AC-59672 [0,1,0,1,0,0|2,0,0]=4 99 B6R1.6 NCC1COC1 AC-40088 [0,1,0,1,0,0|1,0,0]=3 100 B6R1.6 NNC1COC1 AC-87054 [0,1,0,1,0,0|1,0,0]=3 101 B6R1.6 O=CC1COC1 AC-87999 [0,1,0,1,0,0|0,0,1]=3 102 B6R1.6 OCC1CCO1 AC-27493 [0,1,0,1,0,0|0,0,0]=2 103 B6R1.6 OCC1CNC1 AC-39034 [0,1,0,1,0,0|1,0,0]=3 104 B6R1.7 NCC1(N)CC1 AC-92348 [0,1,0,1,0,0|2,0,0]=4 105 B6R1.7 OCC1(F)CC1 AC-93892 [0,1,0,1,0,0|1,0,0]=3