0 B5R0.5 CC(=O)C(=O)C ACT06100 [0,0,0,0,0,0|1,0,2]=3 1 B5R0.5 CC(C(=O)Br)Br ACT03417 [0,0,0,0,0,0|2,0,0]=2 2 B5R0.5 CC(C(=O)C)O ACT06054 [0,0,0,0,0,0|1,0,0]=1 3 B5R0.5 CC(C(=O)C)S ACT06274 [0,0,0,0,0,0|1,1,0]=2 4 B5R0.5 CC(C(=O)O)Br ACT01974 [0,0,0,0,0,0|1,0,0]=1 5 B5R0.5 CC(C(=O)O)N ACT07794 [0,0,0,0,0,0|1,0,0]=1 6 B5R0.5 CC(C(C)S)O ACT06277 [0,0,0,0,0,0|1,1,1]=3 7 B5R0.5 CC(C)C(=O)Cl ACT05625 [0,0,0,0,0,0|2,0,0]=2 8 B5R0.5 C[C@@H](C(=O)N)N ACT03139 [0,0,0,0,0,0|2,0,0]=2 9 B5R0.5 C[C@H](C(=O)N)N ACT10902 [0,0,0,0,0,0|2,0,0]=2 10 B5R0.5 C[C@H](C(=O)O)N ACT07928 [0,0,0,0,0,0|1,0,0]=1 11 B4R0.1 C(=O)(N)NO ACT02611 [1,0,0,0,0,0|2,0,0]=3 12 B4R0.1 C(=O)C(=O)O ACT06826 [1,0,0,0,0,0|0,0,2]=3 13 B4R0.1 C(C(=N)N)N ACT10088 [1,0,0,0,0,0|3,0,0]=4 14 B4R0.1 C(C(=O)Br)Br ACT03212 [1,0,0,0,0,0|2,0,0]=3 15 B4R0.1 C(C(=O)O)Br ACT01771 [1,0,0,0,0,0|1,0,0]=2 16 B4R0.1 CC(=C)CBr ACT08856 [1,0,0,0,0,0|3,0,0]=4 17 B4R0.1 CC(=N)OC ACT09196 [1,0,0,0,0,0|3,0,0]=4 18 B4R0.1 CC(=O)C#C ACT08607 [1,0,0,0,0,0|1,0,2]=4 19 B4R0.1 CC(=O)CCl ACT09266 [1,0,0,0,0,0|2,0,0]=3 20 B4R0.1 CC(=O)SC ACT06385 [1,0,0,0,0,0|2,0,0]=3 21 B4R0.1 CC(C#C)O ACT09213 [1,0,0,0,0,0|1,0,1]=3 22 B4R0.1 CC(C)CS ACT06243 [1,0,0,0,0,0|1,1,1]=4 23 B4R0.1 CC=C(C)Br ACT12017 [1,0,0,0,0,0|2,0,1]=4 24 B4R0.1 C[C@@H](CN)N ACT04807 [1,0,0,0,0,0|2,0,1]=4 25 B4R0.1 C[C@H](CN)N ACT06789 [1,0,0,0,0,0|2,0,1]=4 26 B6R0.3 C(C(=O)C(=O)O)Br ACT09279 [0,1,0,0,0,0|0,0,2]=3 27 B6R0.3 C(C(C(=O)O)N)O ACT07798 [0,1,0,0,0,0|1,0,0]=2 28 B6R0.3 C([C@@H](C(=O)N)N)O ACT05215 [0,1,0,0,0,0|2,0,0]=3 29 B6R0.3 C([C@@H](C(=O)O)N)O ACT08366 [0,1,0,0,0,0|1,0,0]=2 30 B6R0.3 CC(C)[C@@H](CO)N ACT04154 [0,1,0,0,0,0|2,0,1]=4 31 B6R0.3 CC(C)[C@H](CO)N ACT05171 [0,1,0,0,0,0|2,0,1]=4 32 B6R0.3 CC(CN)C(=O)O ACT09241 [0,1,0,0,0,0|1,0,0]=2 33 B6R0.3 CCC(=O)N(C)C ACT06844 [0,1,0,0,0,0|3,0,0]=4 34 B6R0.3 CCC(C(=O)C)S ACT06317 [0,1,0,0,0,0|1,1,0]=3 35 B6R0.3 CCC(C(=O)O)Br ACT02003 [0,1,0,0,0,0|1,0,0]=2 36 B6R0.3 CC[C@@H](C(=O)O)N ACT03155 [0,1,0,0,0,0|1,0,0]=2 37 B6R0.3 CN(C)C(=O)C=C ACT05674 [0,1,0,0,0,0|3,0,0]=4 38 B6R0.3 CN(C)C(=O)CCl ACT03938 [0,1,0,0,0,0|3,0,0]=4 39 B6R0.3 C[C@@H](C(=O)OC)N ACT02716 [0,1,0,0,0,0|1,0,0]=2 40 B6R0.3 C[C@@H](C(=O)OC)N ACT07687 [0,1,0,0,0,0|1,0,0]=2 41 B6R0.3 C[C@@H]([C@H](CO)N)O ACT04169 [0,1,0,0,0,0|1,0,1]=3 42 B6R0.3 C[C@H](C(=O)OC)N ACT07214 [0,1,0,0,0,0|1,0,0]=2 43 B6R0.3 C[C@H]([C@@H](CO)N)O ACT04168 [0,1,0,0,0,0|1,0,1]=3 44 B6R0.3 C[C@H]([C@@H](CO)N)O ACT10787 [0,1,0,0,0,0|1,0,1]=3 45 B6R0.7 CC(=O)C(C)(C)O ACT02809 [0,1,0,0,0,0|1,0,0]=2 46 B6R0.7 CC(C)(C)C(=O)N ACT11908 [0,1,0,0,0,0|2,0,0]=3 47 B6R0.7 CC(C)(C)S(=O)N ACT01898 [0,1,0,0,0,0|3,0,0]=4 48 B6R0.7 CC(C)(C)[S@@](=O)N ACT01897 [0,1,0,0,0,0|3,0,0]=4 49 B6R1.11 B(C1CC1)(O)O ACT02189 [0,0,0,1,0,0|2,0,1]=4 50 B6R0.2 C[C@@H](CC(=O)O)N ACT02393 [0,0,0,0,0,1|1,0,0]=2 51 B6R0.2 C[C@@H](CC(=O)O)N ACT09644 [0,0,0,0,0,1|1,0,0]=2 52 B6R0.2 C[C@H](CC(=O)O)N ACT05190 [0,0,0,0,0,1|1,0,0]=2 53 B3R0.1 C(CCl)O ACT07200 [2,0,0,0,0,0|1,0,1]=4 54 B3R0.1 C(CF)O ACT09629 [2,0,0,0,0,0|1,0,1]=4 55 B3R0.1 C=CCS ACT06237 [2,0,0,0,0,0|1,1,0]=4 56 B3R0.1 CCCS ACT06229 [2,0,0,0,0,0|0,1,1]=4 57 B3R0.1 CCSC ACT06182 [2,0,0,0,0,0|2,0,0]=4 58 B3R0.2 CC(=O)Br ACT03135 [2,0,0,0,0,0|1,0,0]=3 59 B3R0.2 CC(=O)[S-] ACT05622 [2,0,0,0,0,0|0,1,0]=3 60 B3R0.2 CC(C)S ACT06230 [2,0,0,0,0,0|0,1,1]=4 61 B3R0.2 CC(C)[CH2-] ACT07636 [2,0,0,0,0,0|1,0,1]=4 62 B5R0.1 C(CN)C(=O)N ACT05141 [1,1,0,0,0,0|1,0,0]=3 63 B5R0.1 C(CN)C(=O)O ACT04890 [1,1,0,0,0,0|0,0,0]=2 64 B5R0.1 CC#CC(=O)O ACT02801 [1,1,0,0,0,0|0,0,1]=3 65 B5R0.1 CCSC(=O)C ACT06390 [1,1,0,0,0,0|1,0,0]=3 66 B5R0.1 CNCC(=O)O ACT04970 [1,1,0,0,0,0|0,0,0]=2 67 B5R0.3 C(C(CO)O)N ACT05643 [1,1,0,0,0,0|0,0,1]=3 68 B5R0.3 C([C@@H](CCl)O)N ACT03555 [1,1,0,0,0,0|1,0,1]=4 69 B5R0.3 C([C@H](CCl)O)O ACT05632 [1,1,0,0,0,0|0,0,1]=3 70 B5R0.3 C=C[C@@H](CO)N ACT09263 [1,1,0,0,0,0|2,0,0]=4 71 B5R0.3 CCC(C#C)O ACT09706 [1,1,0,0,0,0|1,0,1]=4 72 B5R0.3 CCC(C=C)O ACT06029 [1,1,0,0,0,0|1,0,0]=3 73 B5R0.3 COC(=O)C#C ACT08917 [1,1,0,0,0,0|0,0,2]=4 74 B5R0.3 COC(=O)CBr ACT01939 [1,1,0,0,0,0|1,0,0]=3 75 B5R0.3 COC(=O)CN ACT08376 [1,1,0,0,0,0|1,0,0]=3 76 B5R0.4 CC(C)(C#C)O ACT07439 [1,1,0,0,0,0|1,0,1]=4 77 B5R0.4 CC(C)(C)CO ACT08906 [1,1,0,0,0,0|1,0,1]=4 78 B5R0.4 CC(CO)(F)F ACT02888 [1,1,0,0,0,0|1,0,1]=4 79 B7R0.2 C([C@H](CN)O)C(=O)O ACT10094 [0,1,0,0,0,1|0,0,0]=2 80 B7R0.2 CC[C@H](C)CC(=O)O ACT09115 [0,1,0,0,0,1|1,0,0]=3 81 B7R0.2 C[C@H](CC(=O)OC)O ACT06831 [0,1,0,0,0,1|0,0,0]=2 82 B7R0.9 CC(=O)CC(C)(C)S ACT05878 [0,1,0,0,0,1|1,1,0]=4 83 B7R0.9 CC(C)(C)CC(=O)Cl ACT06988 [0,1,0,0,0,1|2,0,0]=4 84 B7R0.9 CC(C)(C)CC(=O)O ACT06987 [0,1,0,0,0,1|1,0,0]=3 85 B7R0.9 C[Si](C)(C)CC(=O)O ACT09356 [0,1,0,0,0,1|1,1,0]=4 86 B7R0.16 CC(C)[C@H](C(=O)N)N ACT03147 [0,1,0,0,0,1|2,0,0]=4 87 B7R0.16 CC(C)[C@H](C(=O)O)N ACT04818 [0,1,0,0,0,1|1,0,0]=3 88 B7R0.5 C(CBr)C(C(=O)O)Br ACT09951 [0,2,0,0,0,0|1,0,0]=3 89 B7R0.5 C(CN)C(C(=O)O)O ACT11882 [0,2,0,0,0,0|0,0,0]=2 90 B7R0.5 C(CN)[C@@H](C(=O)O)O ACT02354 [0,2,0,0,0,0|0,0,0]=2 91 B7R0.5 C=CC[C@@H](C(=O)O)N ACT02836 [0,2,0,0,0,0|1,0,0]=3 92 B7R0.5 CCOC(=O)C(C)Br ACT02065 [0,2,0,0,0,0|1,0,0]=3 93 B7R0.5 CCOC(=O)C(C)Cl ACT02803 [0,2,0,0,0,0|1,0,0]=3 94 B7R0.5 CCOC(=O)C(C)N ACT08470 [0,2,0,0,0,0|1,0,0]=3 95 B7R0.5 CCOC(=O)[C@H](C)N ACT00044 [0,2,0,0,0,0|1,0,0]=3 96 B7R0.10 CCC(C(=O)OC)Br ACT02122 [0,2,0,0,0,0|1,0,0]=3 97 B7R0.10 CC[C@H](C(=O)OC)N ACT10443 [0,2,0,0,0,0|1,0,0]=3 98 B7R0.10 COC(=O)C(=C)CO ACT03973 [0,2,0,0,0,0|0,0,2]=4 99 B7R0.10 COC(=O)C(CO)N ACT08359 [0,2,0,0,0,0|1,0,0]=3 100 B7R0.10 COC(=O)[C@@H](CO)N ACT05963 [0,2,0,0,0,0|1,0,0]=3 101 B7R0.10 COC(=O)[C@H](CO)N ACT09183 [0,2,0,0,0,0|1,0,0]=3 102 B7R0.10 COC(=O)[C@H](CS)N ACT07406 [0,2,0,0,0,0|1,0,0]=3 103 B7R0.13 CC(C)(CN)C(=O)N ACT04692 [0,2,0,0,0,0|2,0,0]=4 104 B7R0.13 CCC(C)(C)C(=O)Cl ACT06819 [0,2,0,0,0,0|2,0,0]=4 105 B7R0.13 CCC(C)(C)C(=O)O ACT06818 [0,2,0,0,0,0|1,0,0]=3 106 B7R0.13 CC[C@@](C)(C(=O)O)N ACT09522 [0,2,0,0,0,0|1,0,0]=3 107 B7R0.14 CC(C)(C(=O)OC)Br ACT02714 [0,2,0,0,0,0|1,0,0]=3 108 B7R0.15 CNC(CS)C(=O)O ACT09439 [0,2,0,0,0,0|0,1,0]=3 109 B5R1.2 C1C(CN1)O ACT02769 [1,0,0,1,0,0|1,0,1]=4 110 B7R1.2 C1[C@@H](CNC1=O)O ACT01696 [0,0,0,1,0,1|1,0,0]=3 111 B7R1.4 C1C(C(=O)NO1)N ACT10891 [0,1,0,1,0,0|1,0,0]=3 112 B7R1.4 C1CNC(=O)C1N ACT09401 [0,1,0,1,0,0|2,0,0]=4 113 B7R1.4 C1[C@@H](C(=O)NO1)N ACT10801 [0,1,0,1,0,0|1,0,0]=3 114 B7R1.4 C1[C@H](C(=O)NO1)N ACT04767 [0,1,0,1,0,0|1,0,0]=3 115 B7R1.4 CC1C(=O)CCO1 ACT06568 [0,1,0,1,0,0|1,0,0]=3 116 B7R1.4 CC1C(=O)CCS1 ACT06593 [0,1,0,1,0,0|1,1,0]=4 117 B7R1.18 C1CN[C@@H]1C(=O)O ACT01799 [0,1,0,1,0,0|1,0,0]=3 118 B7R0.6 CC(=O)NCC(=O)O ACT08307 [0,0,0,0,0,2|0,0,2]=4 119 B7R0.6 CN(C)CCC(=O)O ACT09593 [0,0,0,0,0,2|2,0,0]=4