0 B6R0.2 CC(C)NC(C)C ACT04717 [0,0,0,0,0,0|2,0,1]=3 1 B6R0.2 CC(C)SC(C)C ACT06148 [0,0,0,0,0,0|2,0,1]=3 2 B6R0.2 C[C@@H](CC(=O)O)N ACT02393 [0,0,0,0,0,0|2,0,0]=2 3 B6R0.2 C[C@@H](CC(=O)O)N ACT09644 [0,0,0,0,0,0|2,0,0]=2 4 B6R0.2 C[C@H](CC(=O)O)N ACT05190 [0,0,0,0,0,0|2,0,0]=2 5 B5R0.1 C(CN)C(=O)N ACT05141 [1,0,0,0,0,0|2,0,0]=3 6 B5R0.1 C(CN)C(=O)O ACT04890 [1,0,0,0,0,0|2,0,0]=3 7 B5R0.1 CC#CC(=O)O ACT02801 [1,0,0,0,0,0|1,0,2]=4 8 B5R0.1 CC(=CCS)C ACT06408 [1,0,0,0,0,0|2,0,1]=4 9 B5R0.1 CC(C)CCS ACT06430 [1,0,0,0,0,0|0,1,1]=3 10 B5R0.1 CCSC(=O)C ACT06390 [1,0,0,0,0,0|1,0,0]=2 11 B5R0.1 CNCC(=O)O ACT04970 [1,0,0,0,0,0|2,0,0]=3 12 B7R0.2 C([C@H](CN)O)C(=O)O ACT10094 [0,1,0,0,0,0|2,0,0]=3 13 B7R0.2 CC(C)C[C@@H](CO)N ACT04160 [0,1,0,0,0,0|1,0,1]=3 14 B7R0.2 CC(C)C[C@H](CO)N ACT04161 [0,1,0,0,0,0|1,0,1]=3 15 B7R0.2 CC[C@H](C)CC(=O)O ACT09115 [0,1,0,0,0,0|1,0,0]=2 16 B7R0.2 COC(=O)CC(=S)N ACT08599 [0,1,0,0,0,0|2,0,1]=4 17 B7R0.2 C[C@H](CC(=O)OC)O ACT06831 [0,1,0,0,0,0|1,0,0]=2 18 B7R0.9 CC(=O)CC(C)(C)S ACT05878 [0,1,0,0,0,0|0,0,0]=1 19 B7R0.9 CC(=O)N[Si](C)(C)C ACT08258 [0,1,0,0,0,0|1,1,0]=3 20 B7R0.9 CC(=O)O[Si](C)(C)C ACT09455 [0,1,0,0,0,0|1,1,0]=3 21 B7R0.9 CC(C)(C)CC(=O)Cl ACT06988 [0,1,0,0,0,0|1,0,0]=2 22 B7R0.9 CC(C)(C)CC(=O)O ACT06987 [0,1,0,0,0,0|1,0,0]=2 23 B7R0.9 C[Si](C)(C)CC(=O)O ACT09356 [0,1,0,0,0,0|1,1,0]=3 24 B7R0.16 CC(C)P(C(C)C)Cl ACT04086 [0,1,0,0,0,0|2,0,1]=4 25 B7R0.16 CC(C)[C@H](C(=O)N)N ACT03147 [0,1,0,0,0,0|1,0,0]=2 26 B7R0.16 CC(C)[C@H](C(=O)O)N ACT04818 [0,1,0,0,0,0|1,0,0]=2 27 B7R1.2 C1CC(=O)OC1=O ACT11409 [0,0,0,1,0,0|2,0,1]=4 28 B7R1.2 C1[C@@H](CNC1=O)O ACT01696 [0,0,0,1,0,0|2,0,0]=3 29 B7R1.2 CN1CCC(C1)O ACT03466 [0,0,0,1,0,0|1,0,2]=4 30 B7R1.2 CN1CC[C@@H](C1)N ACT10431 [0,0,0,1,0,0|2,0,1]=4 31 B7R1.2 CN1CC[C@@H](C1)O ACT05086 [0,0,0,1,0,0|1,0,2]=4 32 B7R1.2 CN1CC[C@H](C1)O ACT05087 [0,0,0,1,0,0|1,0,2]=4 33 B5R0.5 CC(=O)C(=O)C ACT06100 [0,0,0,0,1,0|1,0,1]=3 34 B5R0.5 CC(C(=O)Br)Br ACT03417 [0,0,0,0,1,0|2,0,0]=3 35 B5R0.5 CC(C(=O)C)O ACT06054 [0,0,0,0,1,0|1,0,0]=2 36 B5R0.5 CC(C(=O)C)S ACT06274 [0,0,0,0,1,0|1,0,0]=2 37 B5R0.5 CC(C(=O)O)Br ACT01974 [0,0,0,0,1,0|2,0,0]=3 38 B5R0.5 CC(C(=O)O)N ACT07794 [0,0,0,0,1,0|2,0,0]=3 39 B5R0.5 CC(C(C)S)O ACT06277 [0,0,0,0,1,0|1,0,2]=4 40 B5R0.5 CC(C)C(=O)Cl ACT05625 [0,0,0,0,1,0|1,0,0]=2 41 B5R0.5 C[C@@H](C(=O)N)N ACT03139 [0,0,0,0,1,0|2,0,0]=3 42 B5R0.5 C[C@H](C(=O)N)N ACT10902 [0,0,0,0,1,0|2,0,0]=3 43 B5R0.5 C[C@H](C(=O)O)N ACT07928 [0,0,0,0,1,0|2,0,0]=3 44 B7R0.6 CC(=O)CCC(=O)C ACT02799 [0,0,0,0,0,1|1,0,1]=3 45 B7R0.6 CC(=O)NCC(=O)O ACT08307 [0,0,0,0,0,1|2,0,1]=4 46 B7R0.6 CC(C)SSC(C)C ACT06155 [0,0,0,0,0,1|2,0,1]=4 47 B7R0.6 CN(C)CCC(=O)O ACT09593 [0,0,0,0,0,1|2,0,0]=3 48 B4R0.1 C(C(=O)Br)Br ACT03212 [2,0,0,0,0,0|2,0,0]=4 49 B4R0.1 C(C(=O)O)Br ACT01771 [2,0,0,0,0,0|2,0,0]=4 50 B4R0.1 CC(=C)CBr ACT08856 [2,0,0,0,0,0|2,0,0]=4 51 B4R0.1 CC(=N)OC ACT09196 [2,0,0,0,0,0|2,0,0]=4 52 B4R0.1 CC(=O)C#C ACT08607 [2,0,0,0,0,0|0,0,2]=4 53 B4R0.1 CC(=O)CCl ACT09266 [2,0,0,0,0,0|1,0,0]=3 54 B4R0.1 CC(=O)SC ACT06385 [2,0,0,0,0,0|1,0,0]=3 55 B4R0.1 CC(C)CS ACT06243 [2,0,0,0,0,0|0,1,0]=3 56 B4R0.1 CC=C(C)Br ACT12017 [2,0,0,0,0,0|1,0,1]=4 57 B4R0.1 C[C@@H](CN)N ACT04807 [2,0,0,0,0,0|2,0,0]=4 58 B4R0.1 C[C@H](CN)N ACT06789 [2,0,0,0,0,0|2,0,0]=4 59 B4R0.2 C=CCCBr ACT03064 [2,0,0,0,0,0|1,0,1]=4 60 B4R0.2 CCCCS ACT06241 [2,0,0,0,0,0|0,1,1]=4 61 B4R0.2 CCCSC ACT06183 [2,0,0,0,0,0|1,0,0]=3 62 B4R0.2 CCSCC ACT06138 [2,0,0,0,0,0|1,0,1]=4 63 B4R0.2 CNCC=C ACT04698 [2,0,0,0,0,0|1,0,1]=4 64 B4R0.2 CSCC=C ACT06184 [2,0,0,0,0,0|1,0,1]=4 65 B4R0.2 CSCCO ACT06338 [2,0,0,0,0,0|2,0,0]=4 66 B6R0.1 CC#CC(=O)OC ACT09348 [1,1,0,0,0,0|0,0,2]=4 67 B6R0.1 CCCC(=O)SC ACT06405 [1,1,0,0,0,0|0,0,0]=2 68 B6R0.1 CCOC(=O)C#C ACT08916 [1,1,0,0,0,0|1,0,1]=4 69 B6R0.1 CCOC(=O)CBr ACT01957 [1,1,0,0,0,0|1,0,0]=3 70 B6R0.1 CCOC(=O)CN ACT03311 [1,1,0,0,0,0|1,0,0]=3 71 B6R0.1 CC\C=C(/C)\C=O ACT06055 [1,1,0,0,0,0|0,0,1]=3 72 B6R0.1 CNCC(=O)OC ACT07185 [1,1,0,0,0,0|1,0,0]=3 73 B6R0.1 CNCC(CO)O ACT08072 [1,1,0,0,0,0|2,0,0]=4 74 B6R0.1 COC(=O)CCN ACT07866 [1,1,0,0,0,0|1,0,0]=3 75 B6R0.3 C(C(C(=O)O)N)O ACT07798 [1,1,0,0,0,0|2,0,0]=4 76 B6R0.3 C([C@@H](C(=O)N)N)O ACT05215 [1,1,0,0,0,0|2,0,0]=4 77 B6R0.3 C([C@@H](C(=O)O)N)O ACT08366 [1,1,0,0,0,0|2,0,0]=4 78 B6R0.3 CC(C)[C@@H](CO)N ACT04154 [1,1,0,0,0,0|0,0,2]=4 79 B6R0.3 CC(C)[C@H](CO)N ACT05171 [1,1,0,0,0,0|0,0,2]=4 80 B6R0.3 CC(CN)C(=O)O ACT09241 [1,1,0,0,0,0|2,0,0]=4 81 B6R0.3 CCC(C(=O)C)S ACT06317 [1,1,0,0,0,0|0,0,0]=2 82 B6R0.3 CCC(C(=O)O)Br ACT02003 [1,1,0,0,0,0|1,0,0]=3 83 B6R0.3 CC[C@@H](C(=O)O)N ACT03155 [1,1,0,0,0,0|1,0,0]=3 84 B6R0.4 C(CC(=O)O)CN ACT11886 [1,1,0,0,0,0|1,0,0]=3 85 B6R0.4 C(C[N+](=O)[O-])CO ACT03952 [1,1,0,0,0,0|2,0,0]=4 86 B6R0.4 CC(=O)CCCO ACT07203 [1,1,0,0,0,0|0,0,0]=2 87 B6R0.4 CC(=O)NCCCl ACT10150 [1,1,0,0,0,0|1,0,0]=3 88 B6R0.4 CC(C)CON=O ACT08297 [1,1,0,0,0,0|1,0,0]=3 89 B6R0.4 CCCSC(=O)C ACT06394 [1,1,0,0,0,0|0,0,0]=2 90 B6R0.5 CC(C)(C)CCO ACT02969 [1,1,0,0,0,0|0,0,2]=4 91 B6R0.5 CC(C)(C)ON=O ACT08292 [1,1,0,0,0,0|2,0,0]=4 92 B6R0.5 CS(=O)(=O)CCN ACT11674 [1,1,0,0,0,0|2,0,0]=4 93 B6R0.5 C[Si](C)(C)CC=C ACT10237 [1,1,0,0,0,0|0,1,1]=4 94 B6R0.7 CC(=O)C(C)(C)O ACT02809 [0,1,0,0,1,0|0,0,0]=2 95 B6R0.7 CC(C)(C)C(=O)N ACT11908 [0,1,0,0,1,0|1,0,0]=3 96 B6R0.7 CC(C)(C)S(=O)N ACT01898 [0,1,0,0,1,0|2,0,0]=4 97 B6R0.7 CC(C)(C)[S@@](=O)N ACT01897 [0,1,0,0,1,0|2,0,0]=4 98 B8R0.23 CC(C)C[C@@H](C(=O)N)N ACT07151 [0,1,0,0,0,1|1,0,0]=3 99 B8R0.23 CC(C)[C@H](CC(=O)O)N ACT09686 [0,1,0,0,0,1|1,0,0]=3 100 B8R0.29 CC(=O)C#C[Si](C)(C)C ACT08921 [0,1,0,0,0,1|0,1,1]=4 101 B8R0.2 CC(C)C(C(=O)OC)Br ACT03009 [0,2,0,0,0,0|0,0,0]=2 102 B8R0.2 CC(C)[C@@H](C(=O)OC)N ACT08510 [0,2,0,0,0,0|0,0,0]=2 103 B8R0.2 CC(C)[C@H](C(=O)OC)N ACT07567 [0,2,0,0,0,0|0,0,0]=2 104 B8R0.2 C[C@H]([C@@H](C(=O)O)N)OC ACT05274 [0,2,0,0,0,0|1,0,0]=3 105 B8R0.24 CC(C)(C)OC(=O)C#C ACT08467 [0,2,0,0,0,0|1,0,1]=4 106 B8R0.24 CC(C)(C)OC(=O)CBr ACT01959 [0,2,0,0,0,0|1,0,0]=3 107 B8R0.24 CC(C)(C)OC(=O)CCl ACT03419 [0,2,0,0,0,0|1,0,0]=3 108 B8R0.24 CC(C)(C)OC(=O)CN ACT02827 [0,2,0,0,0,0|1,0,0]=3 109 B8R0.24 CC(C)(C)OC(=O)NN ACT03351 [0,2,0,0,0,0|2,0,0]=4 110 B8R0.34 CC(=O)CC(C)(C)SC ACT06334 [0,2,0,0,0,0|0,0,0]=2 111 B8R0.27 CC(C)(C)C(C(=O)O)N ACT05266 [0,2,0,0,0,0|1,0,0]=3 112 B8R0.27 CC(C)(C)[C@@H](C(=O)O)N ACT00048 [0,2,0,0,0,0|1,0,0]=3 113 B8R0.27 CC(C)(C)[C@H](C(=O)O)N ACT09426 [0,2,0,0,0,0|1,0,0]=3 114 B6R1.2 C1C=CCC1N ACT10576 [1,0,0,1,0,0|1,0,1]=4 115 B6R1.2 C1CNC[C@@H]1N ACT06688 [1,0,0,1,0,0|2,0,0]=4 116 B6R1.2 C1CNC[C@@H]1O ACT01716 [1,0,0,1,0,0|2,0,0]=4 117 B6R1.2 C1CNC[C@H]1N ACT04905 [1,0,0,1,0,0|2,0,0]=4 118 B6R1.2 C1CNC[C@H]1O ACT00442 [1,0,0,1,0,0|2,0,0]=4 119 B6R1.2 C1COC[C@@H]1O ACT10453 [1,0,0,1,0,0|2,0,0]=4 120 B6R1.2 C1COC[C@H]1N ACT06806 [1,0,0,1,0,0|2,0,0]=4 121 B6R1.2 C1COC[C@H]1O ACT05256 [1,0,0,1,0,0|2,0,0]=4 122 B6R1.2 C[C@@H]1CCNC1 ACT09361 [1,0,0,1,0,0|1,0,0]=3 123 B6R1.2 C[C@H]1CCCN1 ACT06587 [1,0,0,1,0,0|1,0,1]=4 124 B6R1.2 C[C@H]1CCNC1 ACT11957 [1,0,0,1,0,0|1,0,0]=3 125 B6R1.5 CN1CC(C1)N ACT10720 [1,0,0,1,0,0|2,0,0]=4 126 B6R1.10 CC1(CNC1)C ACT11956 [1,0,0,1,0,0|1,0,0]=3 127 B8R1.3 C1CC(=O)NCC1O ACT09193 [0,0,0,1,0,1|1,0,0]=3 128 B8R1.3 C1CC(=O)NC[C@H]1O ACT09390 [0,0,0,1,0,1|1,0,0]=3 129 B8R1.3 CN1CCC(=O)CC1 ACT04210 [0,0,0,1,0,1|1,0,0]=3 130 B8R1.1 C1CC(=O)N[C@@H]1CO ACT04172 [0,1,0,1,0,0|1,0,0]=3 131 B8R1.1 C1CC(=O)N[C@H]1CO ACT04367 [0,1,0,1,0,0|1,0,0]=3 132 B8R1.4 C1CNC(=O)CC1O ACT02046 [0,1,0,1,0,0|1,0,0]=3 133 B8R1.4 C1CNC(=O)C[C@H]1O ACT09754 [0,1,0,1,0,0|1,0,0]=3 134 B8R1.18 CC1CC(=O)NC1=O ACT09858 [0,1,0,1,0,0|1,0,1]=4 135 B8R0.28 CN(C)CCCC(=O)O ACT10895 [0,0,0,0,0,2|2,0,0]=4