0 B5R0.1 C(CN)C(=O)N ACT05141 [0,0,0,0,0,0|3,0,1]=4 1 B5R0.1 C(CN)C(=O)O ACT04890 [0,0,0,0,0,0|3,0,1]=4 2 B5R0.1 CC(=CCS)C ACT06408 [0,0,0,0,0,0|0,1,2]=3 3 B5R0.1 CC(C)CCS ACT06430 [0,0,0,0,0,0|0,1,0]=1 4 B5R0.1 CCSC(=O)C ACT06390 [0,0,0,0,0,0|3,0,1]=4 5 B4R0.1 CC(=C)CBr ACT08856 [1,0,0,0,0,0|1,0,2]=4 6 B4R0.1 CC(=N)OC ACT09196 [1,0,0,0,0,0|2,0,1]=4 7 B4R0.1 CC(=O)CCl ACT09266 [1,0,0,0,0,0|2,0,1]=4 8 B4R0.1 CC(=O)SC ACT06385 [1,0,0,0,0,0|2,0,1]=4 9 B4R0.1 CC(C#C)O ACT09213 [1,0,0,0,0,0|1,0,2]=4 10 B4R0.1 CC(C)CS ACT06243 [1,0,0,0,0,0|0,1,0]=2 11 B4R0.1 CC=C(C)Br ACT12017 [1,0,0,0,0,0|1,0,2]=4 12 B4R0.1 C[C@@H](CN)N ACT04807 [1,0,0,0,0,0|2,0,0]=3 13 B4R0.1 C[C@H](CN)N ACT06789 [1,0,0,0,0,0|2,0,0]=3 14 B4R0.2 C#CCCO ACT08938 [1,0,0,0,0,0|0,0,2]=3 15 B4R0.2 C(CCl)CBr ACT04979 [1,0,0,0,0,0|2,0,0]=3 16 B4R0.2 C=CCCBr ACT03064 [1,0,0,0,0,0|1,0,2]=4 17 B4R0.2 CC#CCBr ACT08918 [1,0,0,0,0,0|1,0,2]=4 18 B4R0.2 CC#CCO ACT02835 [1,0,0,0,0,0|0,0,2]=3 19 B4R0.2 CCCCS ACT06241 [1,0,0,0,0,0|0,1,0]=2 20 B4R0.2 CCCSC ACT06183 [1,0,0,0,0,0|2,0,0]=3 21 B4R0.2 CCOC#C ACT10610 [1,0,0,0,0,0|2,0,1]=4 22 B4R0.2 CCSCC ACT06138 [1,0,0,0,0,0|2,0,0]=3 23 B4R0.2 CNCC=C ACT04698 [1,0,0,0,0,0|2,0,1]=4 24 B4R0.2 CSCC=C ACT06184 [1,0,0,0,0,0|2,0,1]=4 25 B4R0.2 CSCCO ACT06338 [1,0,0,0,0,0|1,0,0]=2 26 B6R0.1 CCCC(=O)SC ACT06405 [0,1,0,0,0,0|2,0,1]=4 27 B6R0.1 CCCC(C#C)O ACT07175 [0,1,0,0,0,0|2,0,1]=4 28 B6R0.1 CCCC(C=C)O ACT06034 [0,1,0,0,0,0|2,0,1]=4 29 B6R0.1 CNCC(CO)O ACT08072 [0,1,0,0,0,0|3,0,0]=4 30 B6R0.1 COC(=O)CCN ACT07866 [0,1,0,0,0,0|2,0,1]=4 31 B6R0.2 CC(C)NC(C)C ACT04717 [0,1,0,0,0,0|2,0,0]=3 32 B6R0.2 CC(C)SC(C)C ACT06148 [0,1,0,0,0,0|2,0,0]=3 33 B6R0.2 C[C@@H](CC(=O)O)N ACT02393 [0,1,0,0,0,0|1,0,1]=3 34 B6R0.2 C[C@@H](CC(=O)O)N ACT09644 [0,1,0,0,0,0|1,0,1]=3 35 B6R0.2 C[C@H](CC(=O)O)N ACT05190 [0,1,0,0,0,0|1,0,1]=3 36 B6R0.3 C(C(C(=O)O)N)O ACT07798 [0,1,0,0,0,0|2,0,1]=4 37 B6R0.3 C([C@@H](C(=O)N)N)O ACT05215 [0,1,0,0,0,0|2,0,1]=4 38 B6R0.3 C([C@@H](C(=O)O)N)O ACT08366 [0,1,0,0,0,0|2,0,1]=4 39 B6R0.3 CC(C)[C@@H](CO)N ACT04154 [0,1,0,0,0,0|0,0,0]=1 40 B6R0.3 CC(C)[C@H](CO)N ACT05171 [0,1,0,0,0,0|0,0,0]=1 41 B6R0.3 CCC(=O)N(C)C ACT06844 [0,1,0,0,0,0|2,0,1]=4 42 B6R0.3 CCC(C(=O)C)S ACT06317 [0,1,0,0,0,0|2,0,1]=4 43 B6R0.3 CN(C)C(=O)CCl ACT03938 [0,1,0,0,0,0|2,0,1]=4 44 B6R0.3 C[C@@H]([C@H](CO)N)O ACT04169 [0,1,0,0,0,0|1,0,0]=2 45 B6R0.3 C[C@H]([C@@H](CO)N)O ACT04168 [0,1,0,0,0,0|1,0,0]=2 46 B6R0.3 C[C@H]([C@@H](CO)N)O ACT10787 [0,1,0,0,0,0|1,0,0]=2 47 B6R0.4 C(C[N+](=O)[O-])CO ACT03952 [0,1,0,0,0,0|3,0,0]=4 48 B6R0.4 CC(=O)CCCO ACT07203 [0,1,0,0,0,0|1,0,1]=3 49 B6R0.4 CC(=O)NCCCl ACT10150 [0,1,0,0,0,0|2,0,1]=4 50 B6R0.4 CC(C)CON=O ACT08297 [0,1,0,0,0,0|1,0,1]=3 51 B6R0.4 CCCSC(=O)C ACT06394 [0,1,0,0,0,0|2,0,1]=4 52 B6R0.5 CC(C)(C)CCO ACT02969 [0,1,0,0,0,0|0,0,0]=1 53 B6R0.5 CC(C)(C)ON=O ACT08292 [0,1,0,0,0,0|2,0,1]=4 54 B6R0.5 CS(=O)(=O)CCN ACT11674 [0,1,0,0,0,0|3,0,0]=4 55 B6R0.5 C[Si](C)(C)CC=C ACT10237 [0,1,0,0,0,0|1,1,1]=4 56 B6R0.5 C[Si](C)(C)CCO ACT02730 [0,1,0,0,0,0|0,1,0]=2 57 B6R1.2 C1C=CCC1N ACT10576 [0,0,0,1,0,0|2,0,1]=4 58 B6R1.2 C1CNC[C@@H]1N ACT06688 [0,0,0,1,0,0|2,0,0]=3 59 B6R1.2 C1CNC[C@@H]1O ACT01716 [0,0,0,1,0,0|2,0,0]=3 60 B6R1.2 C1CNC[C@H]1N ACT04905 [0,0,0,1,0,0|2,0,0]=3 61 B6R1.2 C1CNC[C@H]1O ACT00442 [0,0,0,1,0,0|2,0,0]=3 62 B6R1.2 C1COC[C@@H]1O ACT10453 [0,0,0,1,0,0|1,0,0]=2 63 B6R1.2 C1COC[C@H]1N ACT06806 [0,0,0,1,0,0|1,0,0]=2 64 B6R1.2 C1COC[C@H]1O ACT05256 [0,0,0,1,0,0|1,0,0]=2 65 B6R1.2 C[C@@H]1CCNC1 ACT09361 [0,0,0,1,0,0|1,0,0]=2 66 B6R1.2 C[C@H]1CCCN1 ACT06587 [0,0,0,1,0,0|2,0,0]=3 67 B6R1.2 C[C@H]1CCNC1 ACT11957 [0,0,0,1,0,0|1,0,0]=2 68 B6R1.5 CN1CC(C1)N ACT10720 [0,0,0,1,0,0|2,0,0]=3 69 B6R1.10 CC1(CNC1)C ACT11956 [0,0,0,1,0,0|2,0,0]=3 70 B3R0.1 C(CCl)O ACT07200 [2,0,0,0,0,0|1,0,0]=3 71 B3R0.1 C(CF)O ACT09629 [2,0,0,0,0,0|1,0,0]=3 72 B3R0.1 CCCS ACT06229 [2,0,0,0,0,0|0,1,0]=3 73 B3R0.1 CCSC ACT06182 [2,0,0,0,0,0|1,0,0]=3 74 B3R0.1 CSSC ACT06113 [2,0,0,0,0,0|2,0,0]=4 75 B3R0.2 CC(C)S ACT06230 [2,0,0,0,0,0|0,1,0]=3 76 B3R0.2 CC(C)[CH2-] ACT07636 [2,0,0,0,0,0|0,0,1]=3 77 B3R0.2 CP(C)C ACT08935 [2,0,0,0,0,0|1,0,0]=3 78 B5R0.3 C(C(CO)O)N ACT05643 [1,1,0,0,0,0|1,0,0]=3 79 B5R0.3 C([C@@H](CCl)O)N ACT03555 [1,1,0,0,0,0|2,0,0]=4 80 B5R0.3 C([C@H](CCl)O)O ACT05632 [1,1,0,0,0,0|1,0,0]=3 81 B5R0.3 C=C[C@@H](CO)N ACT09263 [1,1,0,0,0,0|1,0,1]=4 82 B5R0.3 CC(CCl)CBr ACT04986 [1,1,0,0,0,0|1,0,0]=3 83 B5R0.3 CCC(C#C)O ACT09706 [1,1,0,0,0,0|1,0,1]=4 84 B5R0.3 CCC(C=C)O ACT06029 [1,1,0,0,0,0|1,0,1]=4 85 B5R0.4 C(C(F)(F)F)O ACT10236 [1,1,0,0,0,0|2,0,0]=4 86 B5R0.4 CC(C)(C#C)O ACT07439 [1,1,0,0,0,0|0,0,2]=4 87 B5R0.4 CC(C)(C)C#C ACT05303 [1,1,0,0,0,0|0,0,2]=4 88 B5R0.4 CC(C)(C)CBr ACT09941 [1,1,0,0,0,0|1,0,0]=3 89 B5R0.4 CC(C)(C)CO ACT08906 [1,1,0,0,0,0|0,0,0]=2 90 B5R0.4 CC(CO)(F)F ACT02888 [1,1,0,0,0,0|1,0,0]=3 91 B5R0.4 C[Si](C)(C)CBr ACT09165 [1,1,0,0,0,0|1,1,0]=4 92 B5R0.4 C[Si](C)(C)CCl ACT08903 [1,1,0,0,0,0|1,1,0]=4 93 B5R0.4 C[Si](C)(C)CI ACT09709 [1,1,0,0,0,0|1,1,0]=4 94 B5R0.4 C[Si](C)(C)CN ACT09163 [1,1,0,0,0,0|1,1,0]=4 95 B5R0.4 C[Si](C)(C)CO ACT09537 [1,1,0,0,0,0|0,1,0]=3 96 B5R0.5 CC(C(=O)C)O ACT06054 [1,1,0,0,0,0|1,0,1]=4 97 B5R0.5 CC(C(=O)C)S ACT06274 [1,1,0,0,0,0|1,0,1]=4 98 B5R0.5 CC(C(=O)O)Br ACT01974 [1,1,0,0,0,0|1,0,1]=4 99 B5R0.5 CC(C(=O)O)N ACT07794 [1,1,0,0,0,0|1,0,1]=4 100 B5R0.5 CC(C(C)S)O ACT06277 [1,1,0,0,0,0|1,0,0]=3 101 B5R0.5 CC(C)C(=O)Cl ACT05625 [1,1,0,0,0,0|0,0,2]=4 102 B5R0.5 C[C@H](C(=O)O)N ACT07928 [1,1,0,0,0,0|1,0,1]=4 103 B5R0.2 C#CCCCCl ACT08610 [1,1,0,0,0,0|1,0,1]=4 104 B5R0.2 C#CCCCO ACT09819 [1,1,0,0,0,0|0,0,1]=3 105 B5R0.2 C(CCO)CN ACT08231 [1,1,0,0,0,0|0,0,0]=2 106 B5R0.2 C(\C=C\CCl)O ACT12012 [1,1,0,0,0,0|0,0,2]=4 107 B5R0.2 C=CCCCBr ACT10075 [1,1,0,0,0,0|1,0,1]=4 108 B5R0.2 C=CCCCO ACT03061 [1,1,0,0,0,0|0,0,1]=3 109 B5R0.2 CCCCC#C ACT10051 [1,1,0,0,0,0|1,0,0]=3 110 B5R0.2 CCCSSC ACT06210 [1,1,0,0,0,0|1,1,0]=4 111 B5R0.2 CCSSCC ACT06136 [1,1,0,0,0,0|2,0,0]=4 112 B5R0.2 CNCCNC ACT07313 [1,1,0,0,0,0|2,0,0]=4 113 B5R0.2 CSCCCO ACT06341 [1,1,0,0,0,0|0,0,0]=2 114 B7R0.2 C([C@H](CN)O)C(=O)O ACT10094 [0,2,0,0,0,0|1,0,1]=4 115 B7R0.2 CC(C)C[C@@H](CO)N ACT04160 [0,2,0,0,0,0|0,0,0]=2 116 B7R0.2 CC(C)C[C@H](CO)N ACT04161 [0,2,0,0,0,0|0,0,0]=2 117 B7R0.2 CC[C@H](C)CC(=O)O ACT09115 [0,2,0,0,0,0|0,0,1]=3 118 B7R0.2 C[C@H](CC(=O)OC)O ACT06831 [0,2,0,0,0,0|1,0,1]=4 119 B7R0.3 CSCC[C@@H](CO)N ACT04170 [0,2,0,0,0,0|1,1,0]=4 120 B7R0.3 CSCC[C@H](CO)N ACT03140 [0,2,0,0,0,0|1,1,0]=4 121 B7R0.7 CCCC(C)CC=S ACT06342 [0,2,0,0,0,0|1,0,0]=3 122 B7R0.10 CC[C@H](C)[C@@H](CO)N ACT04158 [0,2,0,0,0,0|0,0,0]=2 123 B7R0.10 COC(=O)C(CO)N ACT08359 [0,2,0,0,0,0|1,0,1]=4 124 B7R0.10 COC(=O)[C@@H](CO)N ACT05963 [0,2,0,0,0,0|1,0,1]=4 125 B7R0.10 COC(=O)[C@H](CO)N ACT09183 [0,2,0,0,0,0|1,0,1]=4 126 B7R0.9 CC(=O)CC(C)(C)S ACT05878 [0,2,0,0,0,0|0,0,2]=4 127 B7R0.9 CC(C)(C)CC(=O)Cl ACT06988 [0,2,0,0,0,0|0,0,2]=4 128 B7R0.9 CC(C)(C)CC(=O)O ACT06987 [0,2,0,0,0,0|0,0,1]=3 129 B7R0.9 C[Si](C)(C)CC(=O)O ACT09356 [0,2,0,0,0,0|0,1,1]=4 130 B7R0.16 CC(C)P(C(C)C)Cl ACT04086 [0,2,0,0,0,0|2,0,0]=4 131 B7R0.16 CC(C)[C@H](C(=O)N)N ACT03147 [0,2,0,0,0,0|0,0,2]=4 132 B7R0.16 CC(C)[C@H](C(=O)O)N ACT04818 [0,2,0,0,0,0|0,0,1]=3 133 B7R0.14 CC(C)(C)[C@@H](CO)N ACT07359 [0,2,0,0,0,0|0,0,0]=2 134 B7R0.14 CC(C)(C)[C@H](CO)N ACT07355 [0,2,0,0,0,0|0,0,0]=2 135 B7R0.4 CC(C)CCON=O ACT05198 [0,2,0,0,0,0|0,0,0]=2 136 B7R0.6 CC(C)SSC(C)C ACT06155 [0,2,0,0,0,0|2,0,0]=4 137 B7R0.6 CN(C)CCC(=O)O ACT09593 [0,2,0,0,0,0|1,0,0]=3 138 B7R0.8 C[Si](C)(C)C#CCO ACT09812 [0,2,0,0,0,0|0,1,1]=4 139 B7R0.8 C[Si](C)(C)\C=C\CO ACT09883 [0,2,0,0,0,0|0,1,1]=4 140 B5R1.2 C1C(CN1)O ACT02769 [1,0,0,1,0,0|2,0,0]=4 141 B5R1.3 C1CC1CBr ACT02757 [1,0,0,1,0,0|1,0,0]=3 142 B5R1.1 C1CCCC1 ACT08097 [1,0,0,1,0,0|1,0,0]=3 143 B5R1.1 C1CCOC1 ACT09264 [1,0,0,1,0,0|0,0,0]=2 144 B7R1.1 C1CC(NC1)CO ACT09769 [0,1,0,1,0,0|2,0,0]=4 145 B7R1.1 C1CNC[C@@H]1CO ACT07264 [0,1,0,1,0,0|1,0,0]=3 146 B7R1.1 C1COCC1CO ACT09047 [0,1,0,1,0,0|0,0,0]=2 147 B7R1.1 C1C[C@@H](NC1)CO ACT04141 [0,1,0,1,0,0|2,0,0]=4 148 B7R1.1 C1C[C@H](NC1)CO ACT04140 [0,1,0,1,0,0|2,0,0]=4 149 B7R1.2 C1[C@@H](CNC1=O)O ACT01696 [0,1,0,1,0,0|1,0,1]=4 150 B7R1.2 CN1CCC(C1)O ACT03466 [0,1,0,1,0,0|1,0,0]=3 151 B7R1.2 CN1CC[C@@H](C1)N ACT10431 [0,1,0,1,0,0|2,0,0]=4 152 B7R1.2 CN1CC[C@@H](C1)O ACT05086 [0,1,0,1,0,0|1,0,0]=3 153 B7R1.2 CN1CC[C@H](C1)O ACT05087 [0,1,0,1,0,0|1,0,0]=3 154 B7R1.3 C1CC(CNC1)O ACT02059 [0,1,0,1,0,0|2,0,0]=4 155 B7R1.3 C1CC(COC1)O ACT09202 [0,1,0,1,0,0|1,0,0]=3 156 B7R1.3 C1CNCCC1Br ACT08302 [0,1,0,1,0,0|2,0,0]=4 157 B7R1.3 C1CNCCC1N ACT05214 [0,1,0,1,0,0|2,0,0]=4 158 B7R1.3 C1CNCCC1N ACT09600 [0,1,0,1,0,0|2,0,0]=4 159 B7R1.3 C1CNCCC1O ACT02058 [0,1,0,1,0,0|2,0,0]=4 160 B7R1.3 C1COCCC1=O ACT01867 [0,1,0,1,0,0|1,0,1]=4 161 B7R1.3 C1COCCC1O ACT01892 [0,1,0,1,0,0|1,0,0]=3 162 B7R1.3 C1C[C@@H](CNC1)O ACT02045 [0,1,0,1,0,0|2,0,0]=4 163 B7R1.3 C1C[C@H](CNC1)N ACT04891 [0,1,0,1,0,0|2,0,0]=4 164 B7R1.3 C1C[C@H](CNC1)O ACT02079 [0,1,0,1,0,0|2,0,0]=4 165 B7R1.3 C[C@@H]1CCCCN1 ACT09105 [0,1,0,1,0,0|1,0,0]=3 166 B7R1.3 C[C@@H]1CNCCN1 ACT11136 [0,1,0,1,0,0|1,0,0]=3 167 B7R1.3 C[C@H]1CCCCN1 ACT09533 [0,1,0,1,0,0|1,0,0]=3 168 B7R1.4 CC1C(=O)CCO1 ACT06568 [0,1,0,1,0,0|1,0,1]=4 169 B7R1.25 CC1(COC1)CO ACT04865 [0,1,0,1,0,0|2,0,0]=4 170 B7R1.14 CC1(CCCC1)O ACT11548 [0,1,0,1,0,0|1,0,0]=3