0 B6R0.1 CCCC(=O)SC ACT06405 [0,0,0,0,0,0|3,0,1]=4 1 B6R0.1 CCCC(C#C)O ACT07175 [0,0,0,0,0,0|2,0,2]=4 2 B6R0.1 CCCC(C=C)O ACT06034 [0,0,0,0,0,0|2,0,2]=4 3 B6R0.1 CNCC(CO)O ACT08072 [0,0,0,0,0,0|4,0,0]=4 4 B6R0.1 COC(=O)CCN ACT07866 [0,0,0,0,0,0|3,0,1]=4 5 B5R0.1 CC(=CCS)C ACT06408 [1,0,0,0,0,0|0,1,2]=4 6 B5R0.1 CC(C)CCS ACT06430 [1,0,0,0,0,0|0,1,0]=2 7 B5R0.2 C#CCCCCl ACT08610 [1,0,0,0,0,0|1,0,2]=4 8 B5R0.2 C#CCCCO ACT09819 [1,0,0,0,0,0|0,0,2]=3 9 B5R0.2 C(CCO)CN ACT08231 [1,0,0,0,0,0|1,0,0]=2 10 B5R0.2 C(\C=C\CCl)O ACT12012 [1,0,0,0,0,0|1,0,2]=4 11 B5R0.2 C=CCCCBr ACT10075 [1,0,0,0,0,0|1,0,2]=4 12 B5R0.2 C=CCCCO ACT03061 [1,0,0,0,0,0|0,0,2]=3 13 B5R0.2 CCCCC#C ACT10051 [1,0,0,0,0,0|1,0,1]=3 14 B5R0.2 CCCSSC ACT06210 [1,0,0,0,0,0|3,0,0]=4 15 B5R0.2 CCSSCC ACT06136 [1,0,0,0,0,0|3,0,0]=4 16 B5R0.2 CNCCNC ACT07313 [1,0,0,0,0,0|3,0,0]=4 17 B5R0.2 CSCCCO ACT06341 [1,0,0,0,0,0|1,0,0]=2 18 B5R0.3 C(C(CO)O)N ACT05643 [1,0,0,0,0,0|2,0,0]=3 19 B5R0.3 C([C@@H](CCl)O)N ACT03555 [1,0,0,0,0,0|3,0,0]=4 20 B5R0.3 C([C@H](CCl)O)O ACT05632 [1,0,0,0,0,0|2,0,0]=3 21 B5R0.3 C=C[C@@H](CO)N ACT09263 [1,0,0,0,0,0|1,0,2]=4 22 B5R0.3 CC(CCl)CBr ACT04986 [1,0,0,0,0,0|2,0,0]=3 23 B5R0.3 CCC(C#C)O ACT09706 [1,0,0,0,0,0|1,0,2]=4 24 B5R0.3 CCC(C=C)O ACT06029 [1,0,0,0,0,0|1,0,2]=4 25 B7R0.2 C([C@H](CN)O)C(=O)O ACT10094 [0,1,0,0,0,0|2,0,1]=4 26 B7R0.2 CC(C)C[C@@H](CO)N ACT04160 [0,1,0,0,0,0|3,0,0]=4 27 B7R0.2 CC(C)C[C@H](CO)N ACT04161 [0,1,0,0,0,0|3,0,0]=4 28 B7R0.2 CC[C@H](C)CC(=O)O ACT09115 [0,1,0,0,0,0|0,0,1]=2 29 B7R0.2 C[C@H](CC(=O)OC)O ACT06831 [0,1,0,0,0,0|2,0,1]=4 30 B7R0.3 CSCC[C@@H](CO)N ACT04170 [0,1,0,0,0,0|2,1,0]=4 31 B7R0.3 CSCC[C@H](CO)N ACT03140 [0,1,0,0,0,0|2,1,0]=4 32 B7R0.7 CCCC(C)CC=S ACT06342 [0,1,0,0,0,0|0,1,1]=3 33 B7R0.7 CCOC(=O)CCN ACT00057 [0,1,0,0,0,0|2,0,1]=4 34 B7R0.10 CC[C@H](C)[C@@H](CO)N ACT04158 [0,1,0,0,0,0|0,0,0]=1 35 B7R0.10 COC(=O)C(CO)N ACT08359 [0,1,0,0,0,0|2,0,1]=4 36 B7R0.10 COC(=O)[C@@H](CO)N ACT05963 [0,1,0,0,0,0|2,0,1]=4 37 B7R0.10 COC(=O)[C@H](CO)N ACT09183 [0,1,0,0,0,0|2,0,1]=4 38 B7R1.1 C1CC(NC1)CO ACT09769 [0,0,0,1,0,0|3,0,0]=4 39 B7R1.1 C1CNC[C@@H]1CO ACT07264 [0,0,0,1,0,0|2,0,0]=3 40 B7R1.1 C1COCC1CO ACT09047 [0,0,0,1,0,0|1,0,0]=2 41 B7R1.1 C1C[C@@H](NC1)CO ACT04141 [0,0,0,1,0,0|3,0,0]=4 42 B7R1.1 C1C[C@H](NC1)CO ACT04140 [0,0,0,1,0,0|3,0,0]=4 43 B7R1.2 C1[C@@H](CNC1=O)O ACT01696 [0,0,0,1,0,0|2,0,1]=4 44 B7R1.2 CN1CCC(C1)O ACT03466 [0,0,0,1,0,0|1,0,0]=2 45 B7R1.2 CN1CC[C@@H](C1)N ACT10431 [0,0,0,1,0,0|2,0,0]=3 46 B7R1.2 CN1CC[C@@H](C1)O ACT05086 [0,0,0,1,0,0|1,0,0]=2 47 B7R1.2 CN1CC[C@H](C1)O ACT05087 [0,0,0,1,0,0|1,0,0]=2 48 B7R1.3 C1CC(CNC1)O ACT02059 [0,0,0,1,0,0|3,0,0]=4 49 B7R1.3 C1CC(COC1)O ACT09202 [0,0,0,1,0,0|3,0,0]=4 50 B7R1.3 C1CCN(CC1)N ACT09283 [0,0,0,1,0,0|3,0,0]=4 51 B7R1.3 C1CCN(CC1)O ACT09755 [0,0,0,1,0,0|3,0,0]=4 52 B7R1.3 C1CNCCC1=O ACT02123 [0,0,0,1,0,0|2,0,1]=4 53 B7R1.3 C1CNCCC1Br ACT08302 [0,0,0,1,0,0|2,0,0]=3 54 B7R1.3 C1CNCCC1N ACT05214 [0,0,0,1,0,0|2,0,0]=3 55 B7R1.3 C1CNCCC1N ACT09600 [0,0,0,1,0,0|2,0,0]=3 56 B7R1.3 C1CNCCC1O ACT02058 [0,0,0,1,0,0|2,0,0]=3 57 B7R1.3 C1COCCC1=O ACT01867 [0,0,0,1,0,0|1,0,1]=3 58 B7R1.3 C1COCCC1O ACT01892 [0,0,0,1,0,0|1,0,0]=2 59 B7R1.3 C1C[C@@H](CNC1)O ACT02045 [0,0,0,1,0,0|3,0,0]=4 60 B7R1.3 C1C[C@H](CNC1)N ACT04891 [0,0,0,1,0,0|3,0,0]=4 61 B7R1.3 C1C[C@H](CNC1)O ACT02079 [0,0,0,1,0,0|3,0,0]=4 62 B7R1.3 C[C@@H]1CCCCN1 ACT09105 [0,0,0,1,0,0|2,0,0]=3 63 B7R1.3 C[C@@H]1CNCCN1 ACT11136 [0,0,0,1,0,0|3,0,0]=4 64 B7R1.3 C[C@H]1CCCCN1 ACT09533 [0,0,0,1,0,0|2,0,0]=3 65 B7R1.4 CC1C(=O)CCO1 ACT06568 [0,0,0,1,0,0|1,0,1]=3 66 B7R1.4 CC1C(=O)CCS1 ACT06593 [0,0,0,1,0,0|1,1,1]=4 67 B7R1.25 CC1(COC1)CO ACT04865 [0,0,0,1,0,0|3,0,0]=4 68 B4R0.1 CC(C#C)O ACT09213 [2,0,0,0,0,0|0,0,2]=4 69 B4R0.1 CC(C)CS ACT06243 [2,0,0,0,0,0|0,1,0]=3 70 B4R0.1 C[C@@H](CN)N ACT04807 [2,0,0,0,0,0|2,0,0]=4 71 B4R0.1 C[C@H](CN)N ACT06789 [2,0,0,0,0,0|2,0,0]=4 72 B4R0.2 C#CCCO ACT08938 [2,0,0,0,0,0|0,0,2]=4 73 B4R0.2 C(CCl)CBr ACT04979 [2,0,0,0,0,0|2,0,0]=4 74 B4R0.2 CC#CCO ACT02835 [2,0,0,0,0,0|0,0,2]=4 75 B4R0.2 CCCCS ACT06241 [2,0,0,0,0,0|0,1,0]=3 76 B4R0.2 CCCSC ACT06183 [2,0,0,0,0,0|1,0,0]=3 77 B4R0.2 CCSCC ACT06138 [2,0,0,0,0,0|1,0,0]=3 78 B4R0.2 CSCCO ACT06338 [2,0,0,0,0,0|1,0,0]=3 79 B6R0.2 CC(C)NC(C)C ACT04717 [1,1,0,0,0,0|2,0,0]=4 80 B6R0.2 CC(C)SC(C)C ACT06148 [1,1,0,0,0,0|2,0,0]=4 81 B6R0.2 C[C@@H](CC(=O)O)N ACT02393 [1,1,0,0,0,0|1,0,1]=4 82 B6R0.2 C[C@@H](CC(=O)O)N ACT09644 [1,1,0,0,0,0|1,0,1]=4 83 B6R0.2 C[C@H](CC(=O)O)N ACT05190 [1,1,0,0,0,0|1,0,1]=4 84 B6R0.3 CC(C)[C@@H](CO)N ACT04154 [1,1,0,0,0,0|0,0,0]=2 85 B6R0.3 CC(C)[C@H](CO)N ACT05171 [1,1,0,0,0,0|0,0,0]=2 86 B6R0.3 C[C@@H]([C@H](CO)N)O ACT04169 [1,1,0,0,0,0|1,0,0]=3 87 B6R0.3 C[C@H]([C@@H](CO)N)O ACT04168 [1,1,0,0,0,0|1,0,0]=3 88 B6R0.3 C[C@H]([C@@H](CO)N)O ACT10787 [1,1,0,0,0,0|1,0,0]=3 89 B6R0.4 CC(=O)CCCO ACT07203 [1,1,0,0,0,0|1,0,1]=4 90 B6R0.4 CC(C)CON=O ACT08297 [1,1,0,0,0,0|1,0,1]=4 91 B6R0.5 CC(C)(C)CCO ACT02969 [1,1,0,0,0,0|0,0,0]=2 92 B6R0.5 C[Si](C)(C)CCO ACT02730 [1,1,0,0,0,0|0,1,0]=3 93 B6R0.6 C(CCl)NCCCl ACT03764 [1,1,0,0,0,0|2,0,0]=4 94 B6R0.6 C=CCCCCCl ACT10617 [1,1,0,0,0,0|1,0,1]=4 95 B6R0.6 C=CCCCCO ACT10087 [1,1,0,0,0,0|0,0,1]=3 96 B6R0.6 CNCCCNC ACT10138 [1,1,0,0,0,0|2,0,0]=4 97 B6R0.9 CCN(CC)CC ACT11946 [1,1,0,0,0,0|1,0,0]=3 98 B6R0.9 CCP(CC)CC ACT04048 [1,1,0,0,0,0|1,0,0]=3 99 B6R0.9 CC[SiH](CC)CC ACT03434 [1,1,0,0,0,0|0,1,0]=3 100 B8R0.2 C[C@H]([C@@H](C(=O)O)N)OC ACT05274 [0,2,0,0,0,0|1,0,1]=4 101 B8R0.23 CC(C)[C@H](CC(=O)O)N ACT09686 [0,2,0,0,0,0|1,0,1]=4 102 B8R0.3 CCOC(=O)[C@H](CO)N ACT07709 [0,2,0,0,0,0|1,0,1]=4 103 B8R0.6 CCCCCC(CC)O ACT06057 [0,2,0,0,0,0|2,0,0]=4 104 B8R0.11 COC(CCCCl)OC ACT03057 [0,2,0,0,0,0|2,0,0]=4 105 B8R0.22 CCCC(CCO)SC ACT06344 [0,2,0,0,0,0|0,0,0]=2 106 B6R1.2 C1CNC[C@@H]1N ACT06688 [1,0,0,1,0,0|2,0,0]=4 107 B6R1.2 C1CNC[C@@H]1O ACT01716 [1,0,0,1,0,0|2,0,0]=4 108 B6R1.2 C1CNC[C@H]1N ACT04905 [1,0,0,1,0,0|2,0,0]=4 109 B6R1.2 C1CNC[C@H]1O ACT00442 [1,0,0,1,0,0|2,0,0]=4 110 B6R1.2 C1COC[C@@H]1O ACT10453 [1,0,0,1,0,0|1,0,0]=3 111 B6R1.2 C1COC[C@H]1N ACT06806 [1,0,0,1,0,0|1,0,0]=3 112 B6R1.2 C1COC[C@H]1O ACT05256 [1,0,0,1,0,0|1,0,0]=3 113 B6R1.2 C[C@@H]1CCNC1 ACT09361 [1,0,0,1,0,0|1,0,0]=3 114 B6R1.2 C[C@H]1CCCN1 ACT06587 [1,0,0,1,0,0|2,0,0]=4 115 B6R1.2 C[C@H]1CCNC1 ACT11957 [1,0,0,1,0,0|1,0,0]=3 116 B6R1.5 CN1CC(C1)N ACT10720 [1,0,0,1,0,0|2,0,0]=4 117 B6R1.10 CC1(CNC1)C ACT11956 [1,0,0,1,0,0|2,0,0]=4 118 B6R1.1 C1COCCO1 ACT10984 [1,0,0,1,0,0|1,0,0]=3 119 B6R1.1 C1COCCO1 ACT10984 [1,0,0,1,0,0|1,0,0]=3 120 B6R1.6 C1CC(C1)CBr ACT03403 [1,0,0,1,0,0|1,0,0]=3 121 B6R1.6 C1CC(C1)CO ACT03329 [1,0,0,1,0,0|0,0,0]=2 122 B8R1.1 C1CC(=O)N[C@@H]1CO ACT04172 [0,1,0,1,0,0|1,0,1]=4 123 B8R1.1 C1CC(=O)N[C@H]1CO ACT04367 [0,1,0,1,0,0|1,0,1]=4 124 B8R1.1 CCN1CCC(C1)O ACT03468 [0,1,0,1,0,0|1,0,0]=3 125 B8R1.4 C1CNC(=O)CC1O ACT02046 [0,1,0,1,0,0|1,0,1]=4 126 B8R1.4 C1CNC(=O)C[C@H]1O ACT09754 [0,1,0,1,0,0|1,0,1]=4 127 B8R1.2 C1CC(CNC1)CO ACT04176 [0,1,0,1,0,0|2,0,0]=4 128 B8R1.2 C1CCC(CC1)CO ACT10090 [0,1,0,1,0,0|1,0,0]=3 129 B8R1.2 C1CCNC(C1)CO ACT02103 [0,1,0,1,0,0|2,0,0]=4 130 B8R1.2 C1CCN[C@@H](C1)CO ACT09705 [0,1,0,1,0,0|2,0,0]=4 131 B8R1.2 C1CCN[C@H](C1)CO ACT09534 [0,1,0,1,0,0|2,0,0]=4 132 B8R1.2 C1CNCCC1C#N ACT09389 [0,1,0,1,0,0|1,0,1]=4 133 B8R1.2 C1CNCCC1CO ACT02060 [0,1,0,1,0,0|1,0,0]=3 134 B8R1.2 C1COCC(N1)CO ACT07199 [0,1,0,1,0,0|1,0,0]=3 135 B8R1.2 C1COCCC1C=O ACT10828 [0,1,0,1,0,0|0,0,1]=3 136 B8R1.2 C1COCCC1CN ACT01866 [0,1,0,1,0,0|0,0,0]=2 137 B8R1.2 C1COCCC1CO ACT04637 [0,1,0,1,0,0|0,0,0]=2 138 B8R1.2 CNC1CCOCC1 ACT10530 [0,1,0,1,0,0|0,0,0]=2 139 B8R1.3 C1C(SCC(S1)O)O ACT06456 [0,1,0,1,0,0|2,0,0]=4 140 B8R1.3 C1CC(=O)NCC1O ACT09193 [0,1,0,1,0,0|1,0,1]=4 141 B8R1.3 C1CC(=O)NC[C@H]1O ACT09390 [0,1,0,1,0,0|1,0,1]=4 142 B8R1.3 C1[C@@H](CC[C@H](C1)N)N ACT02728 [0,1,0,1,0,0|2,0,0]=4 143 B8R1.3 CN1CCC(=O)CC1 ACT04210 [0,1,0,1,0,0|1,0,1]=4 144 B8R1.3 CN1CCC(CC1)Cl ACT02144 [0,1,0,1,0,0|2,0,0]=4 145 B8R1.3 CN1CCC(CC1)Cl ACT04219 [0,1,0,1,0,0|2,0,0]=4 146 B8R1.3 CN1CCC(CC1)O ACT04216 [0,1,0,1,0,0|1,0,0]=3 147 B8R1.5 C1CCC(C(C1)N)N ACT11641 [0,1,0,1,0,0|2,0,0]=4 148 B8R1.5 C1CC[C@@H]([C@H](C1)N)N ACT02838 [0,1,0,1,0,0|2,0,0]=4 149 B8R1.5 C1CC[C@H]([C@@H](C1)N)N ACT03415 [0,1,0,1,0,0|2,0,0]=4 150 B8R1.5 C1CC[C@H]([C@@H](C1)N)N ACT11629 [0,1,0,1,0,0|2,0,0]=4 151 B8R1.5 C1CC[C@H]([C@@H](C1)N)N ACT11642 [0,1,0,1,0,0|2,0,0]=4 152 B8R1.22 C1CCNCC(C1)N ACT07491 [0,1,0,1,0,0|2,0,0]=4 153 B8R1.22 CN1CCCNCC1 ACT09728 [0,1,0,1,0,0|2,0,0]=4 154 B8R1.7 C1COC[C@H]1C(=O)O ACT09087 [0,1,0,1,0,0|1,0,1]=4 155 B8R1.7 CN(C)[C@@H]1CCNC1 ACT08222 [0,1,0,1,0,0|2,0,0]=4 156 B8R1.7 CN(C)[C@H]1CCNC1 ACT05182 [0,1,0,1,0,0|2,0,0]=4 157 B8R1.8 C1CC(NC1)CCO ACT09194 [0,1,0,1,0,0|0,0,0]=2 158 B8R1.11 CN1CCCC1CO ACT09599 [0,1,0,1,0,0|1,0,0]=3 159 B8R1.11 CN1CCC[C@@H]1CO ACT10747 [0,1,0,1,0,0|1,0,0]=3 160 B8R1.11 CN1CCC[C@H]1CO ACT09566 [0,1,0,1,0,0|1,0,0]=3 161 B8R1.72 CC1(CCCCC1)O ACT11541 [0,1,0,1,0,0|1,0,0]=3