0 B6R1.2 C1C=CCC1N ACT10576 [0,0,0,0,0,0|2,0,2]=4 1 B6R1.2 C1CNC(=S)N1 ACT05417 [0,0,0,0,0,0|3,1,0]=4 2 B6R1.2 C1CNC[C@@H]1N ACT06688 [0,0,0,0,0,0|2,0,1]=3 3 B6R1.2 C1CNC[C@@H]1O ACT01716 [0,0,0,0,0,0|1,0,2]=3 4 B6R1.2 C1CNC[C@H]1N ACT04905 [0,0,0,0,0,0|2,0,1]=3 5 B6R1.2 C1CNC[C@H]1O ACT00442 [0,0,0,0,0,0|1,0,2]=3 6 B6R1.2 C1COC[C@@H]1O ACT10453 [0,0,0,0,0,0|0,1,2]=3 7 B6R1.2 C1COC[C@H]1N ACT06806 [0,0,0,0,0,0|1,1,1]=3 8 B6R1.2 C1COC[C@H]1O ACT05256 [0,0,0,0,0,0|0,1,2]=3 9 B6R1.2 C[C@@H]1CCNC1 ACT09361 [0,0,0,0,0,0|2,0,1]=3 10 B6R1.2 C[C@H]1CCCN1 ACT06587 [0,0,0,0,0,0|3,0,1]=4 11 B6R1.2 C[C@H]1CCNC1 ACT11957 [0,0,0,0,0,0|2,0,1]=3 12 B6R1.2 c1cscc1Br ACT10486 [0,0,0,0,0,0|1,0,3]=4 13 B5R1.1 C1C=CCN1 ACT12011 [1,0,0,0,0,0|1,0,1]=3 14 B5R1.1 C1CCCC1 ACT08097 [1,0,0,0,0,0|1,0,1]=3 15 B5R1.1 C1CCOC1 ACT09264 [1,0,0,0,0,0|0,1,1]=3 16 B7R1.1 C1CNC[C@@H]1CO ACT07264 [0,1,0,0,0,0|1,0,2]=4 17 B7R1.1 C1COCC1CO ACT09047 [0,1,0,0,0,0|0,1,2]=4 18 B7R1.1 c1cscc1C=O ACT02286 [0,1,0,0,0,0|0,0,3]=4 19 B7R1.2 C1C(=O)NC(=O)S1 ACT04253 [0,1,0,0,0,0|1,0,1]=3 20 B7R1.2 C1CC(=O)OC1=O ACT11409 [0,1,0,0,0,0|2,0,0]=3 21 B7R1.2 C1[C@@H](CNC1=O)O ACT01696 [0,1,0,0,0,0|2,0,0]=3 22 B7R1.2 CN1CCC(C1)O ACT03466 [0,1,0,0,0,0|1,0,2]=4 23 B7R1.2 CN1CC[C@@H](C1)N ACT10431 [0,1,0,0,0,0|2,0,1]=4 24 B7R1.2 CN1CC[C@@H](C1)O ACT05086 [0,1,0,0,0,0|1,0,2]=4 25 B7R1.2 CN1CC[C@H](C1)O ACT05087 [0,1,0,0,0,0|1,0,2]=4 26 B7R1.4 C1C(C(=O)NO1)N ACT10891 [0,1,0,0,0,0|1,1,0]=3 27 B7R1.4 C1CNC(=O)C1N ACT09401 [0,1,0,0,0,0|2,0,0]=3 28 B7R1.4 C1[C@@H](C(=O)NO1)N ACT10801 [0,1,0,0,0,0|1,1,0]=3 29 B7R1.4 C1[C@H](C(=O)NO1)N ACT04767 [0,1,0,0,0,0|1,1,0]=3 30 B7R1.4 CC1C(=O)CCO1 ACT06568 [0,1,0,0,0,0|0,1,0]=2 31 B7R1.4 CC1C(=O)CCS1 ACT06593 [0,1,0,0,0,0|0,0,0]=1 32 B7R1.14 C1CCS(=O)(=O)C1 ACT10985 [0,1,0,0,0,0|2,0,0]=3 33 B7R1.14 CC1(CCCC1)O ACT11548 [0,1,0,0,0,0|1,0,2]=4 34 B5R0.1 C(CN)C(=O)N ACT05141 [0,0,1,0,0,0|2,0,0]=3 35 B5R0.1 C(CN)C(=O)O ACT04890 [0,0,1,0,0,0|2,0,0]=3 36 B5R0.1 CC#CC(=O)O ACT02801 [0,0,1,0,0,0|2,0,1]=4 37 B5R0.1 CC(=CCS)C ACT06408 [0,0,1,0,0,0|1,0,1]=3 38 B5R0.1 CC(C)CCS ACT06430 [0,0,1,0,0,0|1,0,1]=3 39 B5R0.1 CCSC(=O)C ACT06390 [0,0,1,0,0,0|2,0,0]=3 40 B5R0.1 CNCC(=O)O ACT04970 [0,0,1,0,0,0|2,0,0]=3 41 B5R0.2 C=CCCC=C ACT05312 [0,0,1,0,0,0|2,0,1]=4 42 B5R0.2 C=CCCCBr ACT10075 [0,0,1,0,0,0|3,0,0]=4 43 B5R0.2 C=CCCCO ACT03061 [0,0,1,0,0,0|3,0,0]=4 44 B5R0.2 CCCCC#C ACT10051 [0,0,1,0,0,0|2,0,1]=4 45 B5R0.2 CCCSSC ACT06210 [0,0,1,0,0,0|2,0,1]=4 46 B5R0.2 CCSSCC ACT06136 [0,0,1,0,0,0|2,0,1]=4 47 B5R0.2 CNCCNC ACT07313 [0,0,1,0,0,0|3,0,0]=4 48 B5R0.2 CSCCCO ACT06341 [0,0,1,0,0,0|0,0,2]=3 49 B5R0.2 CSSCC=C ACT06216 [0,0,1,0,0,0|2,0,0]=3 50 B5R0.3 COC(=O)C#C ACT08917 [0,0,1,0,0,0|2,0,1]=4 51 B5R0.3 COC(=O)CBr ACT01939 [0,0,1,0,0,0|2,0,0]=3 52 B5R0.3 COC(=O)CN ACT08376 [0,0,1,0,0,0|2,0,0]=3 53 B5R1.2 C1C(CN1)O ACT02769 [0,0,0,0,1,0|1,0,2]=4 54 B7R1.3 C1CC(CNC1)O ACT02059 [0,0,0,0,0,1|1,0,2]=4 55 B7R1.3 C1CC(COC1)O ACT09202 [0,0,0,0,0,1|0,1,2]=4 56 B7R1.3 C1CCN(CC1)N ACT09283 [0,0,0,0,0,1|3,0,0]=4 57 B7R1.3 C1CCN(CC1)O ACT09755 [0,0,0,0,0,1|2,0,1]=4 58 B7R1.3 C1CNCCC1=O ACT02123 [0,0,0,0,0,1|1,0,0]=2 59 B7R1.3 C1CNCCC1Br ACT08302 [0,0,0,0,0,1|2,0,1]=4 60 B7R1.3 C1CNCCC1N ACT05214 [0,0,0,0,0,1|2,0,1]=4 61 B7R1.3 C1CNCCC1N ACT09600 [0,0,0,0,0,1|2,0,1]=4 62 B7R1.3 C1CNCCC1O ACT02058 [0,0,0,0,0,1|1,0,2]=4 63 B7R1.3 C1COCCC1=O ACT01867 [0,0,0,0,0,1|0,1,0]=2 64 B7R1.3 C1COCCC1O ACT01892 [0,0,0,0,0,1|0,1,2]=4 65 B7R1.3 C1C[C@@H](CNC1)O ACT02045 [0,0,0,0,0,1|1,0,2]=4 66 B7R1.3 C1C[C@H](CNC1)N ACT04891 [0,0,0,0,0,1|2,0,1]=4 67 B7R1.3 C1C[C@H](CNC1)O ACT02079 [0,0,0,0,0,1|1,0,2]=4 68 B7R1.3 C[C@@H]1CCCCN1 ACT09105 [0,0,0,0,0,1|2,0,1]=4 69 B7R1.3 C[C@@H]1CNCCN1 ACT11136 [0,0,0,0,0,1|2,0,1]=4 70 B7R1.3 C[C@H]1CCCCN1 ACT09533 [0,0,0,0,0,1|2,0,1]=4 71 B4R0.1 C(C(=O)Br)Br ACT03212 [1,0,1,0,0,0|2,0,0]=4 72 B4R0.1 C(C(=O)O)Br ACT01771 [1,0,1,0,0,0|1,1,0]=4 73 B4R0.1 CC(=C)CBr ACT08856 [1,0,1,0,0,0|2,0,0]=4 74 B4R0.1 CC(=N)OC ACT09196 [1,0,1,0,0,0|1,1,0]=4 75 B4R0.1 CC(=O)C#C ACT08607 [1,0,1,0,0,0|0,0,2]=4 76 B4R0.1 CC(=O)CCl ACT09266 [1,0,1,0,0,0|1,0,0]=3 77 B4R0.1 CC(=O)SC ACT06385 [1,0,1,0,0,0|0,0,0]=2 78 B4R0.1 CC(C)CS ACT06243 [1,0,1,0,0,0|1,0,1]=4 79 B4R0.1 CC=C(C)Br ACT12017 [1,0,1,0,0,0|1,0,1]=4 80 B4R0.2 C=CCCBr ACT03064 [1,0,1,0,0,0|1,0,1]=4 81 B4R0.2 CCCCS ACT06241 [1,0,1,0,0,0|0,0,1]=3 82 B4R0.2 CCCSC ACT06183 [1,0,1,0,0,0|0,0,1]=3 83 B4R0.2 CCSCC ACT06138 [1,0,1,0,0,0|0,0,1]=3 84 B4R0.2 CNCC=C ACT04698 [1,0,1,0,0,0|1,0,1]=4 85 B4R0.2 CSCC=C ACT06184 [1,0,1,0,0,0|0,0,1]=3 86 B4R0.2 CSCCO ACT06338 [1,0,1,0,0,0|0,0,1]=3 87 B4R0.2 CSSSC ACT06121 [1,0,1,0,0,0|2,0,0]=4 88 B6R0.1 CC#CC(=O)OC ACT09348 [0,1,1,0,0,0|1,0,1]=4 89 B6R0.1 CCCC(=O)SC ACT06405 [0,1,1,0,0,0|1,0,0]=3 90 B6R0.1 CCOC(=O)CBr ACT01957 [0,1,1,0,0,0|2,0,0]=4 91 B6R0.1 CCOC(=O)CN ACT03311 [0,1,1,0,0,0|2,0,0]=4 92 B6R0.1 CC\C=C(/C)\C=O ACT06055 [0,1,1,0,0,0|1,0,1]=4 93 B6R0.1 CNCC(=O)OC ACT07185 [0,1,1,0,0,0|1,0,0]=3 94 B6R0.1 COC(=O)CCN ACT07866 [0,1,1,0,0,0|1,0,0]=3 95 B6R0.2 C[C@@H](CC(=O)O)N ACT02393 [0,1,1,0,0,0|2,0,0]=4 96 B6R0.2 C[C@@H](CC(=O)O)N ACT09644 [0,1,1,0,0,0|2,0,0]=4 97 B6R0.2 C[C@H](CC(=O)O)N ACT05190 [0,1,1,0,0,0|2,0,0]=4 98 B6R0.3 C(C(C(=O)O)N)O ACT07798 [0,1,1,0,0,0|1,1,0]=4 99 B6R0.3 C([C@@H](C(=O)N)N)O ACT05215 [0,1,1,0,0,0|1,1,0]=4 100 B6R0.3 C([C@@H](C(=O)O)N)O ACT08366 [0,1,1,0,0,0|1,1,0]=4 101 B6R0.3 CC(CN)C(=O)O ACT09241 [0,1,1,0,0,0|2,0,0]=4 102 B6R0.3 CCC(C(=O)C)S ACT06317 [0,1,1,0,0,0|1,0,0]=3 103 B6R0.3 CCC(C(=O)O)Br ACT02003 [0,1,1,0,0,0|2,0,0]=4 104 B6R0.3 CC[C@@H](C(=O)O)N ACT03155 [0,1,1,0,0,0|2,0,0]=4 105 B6R0.4 C(CC(=O)O)CN ACT11886 [0,1,1,0,0,0|2,0,0]=4 106 B6R0.4 CC(=O)CCCO ACT07203 [0,1,1,0,0,0|0,1,0]=3 107 B6R0.4 CC(=O)NCCCl ACT10150 [0,1,1,0,0,0|1,0,0]=3 108 B6R0.4 CCCSC(=O)C ACT06394 [0,1,1,0,0,0|1,0,0]=3 109 B6R0.5 CS(=O)(=O)CCN ACT11674 [0,1,1,0,0,0|2,0,0]=4 110 B6R0.6 C=CCCCCCl ACT10617 [0,1,1,0,0,0|2,0,0]=4 111 B6R0.6 C=CCCCCO ACT10087 [0,1,1,0,0,0|2,0,0]=4 112 B6R0.6 C=CCSCC=C ACT06160 [0,1,1,0,0,0|1,0,1]=4 113 B6R0.6 CCC\C=C\C=O ACT06041 [0,1,1,0,0,0|1,0,1]=4 114 B6R0.6 CSSSCC=C ACT06482 [0,1,1,0,0,0|2,0,0]=4 115 B6R1.5 CN1CC(C1)N ACT10720 [0,1,0,0,1,0|2,0,0]=4 116 B6R1.6 C1CC(C1)CBr ACT03403 [0,1,0,0,1,0|1,0,1]=4 117 B6R1.6 C1CC(C1)CO ACT03329 [0,1,0,0,1,0|0,0,2]=4 118 B8R1.2 C1CN(CCN1)C=O ACT08513 [0,1,0,0,0,1|2,0,0]=4 119 B8R1.2 C1COCCC1C=O ACT10828 [0,1,0,0,0,1|0,1,1]=4 120 B8R1.3 C1C(SCC(S1)O)O ACT06456 [0,1,0,0,0,1|0,0,2]=4 121 B8R1.3 C1CC(=O)NCC1O ACT09193 [0,1,0,0,0,1|1,0,0]=3 122 B8R1.3 C1CC(=O)NC[C@H]1O ACT09390 [0,1,0,0,0,1|1,0,0]=3 123 B8R1.3 CN1CCC(=O)CC1 ACT04210 [0,1,0,0,0,1|1,0,0]=3 124 B8R1.4 C1C(=O)OC(=O)CS1 ACT03974 [0,1,0,0,0,1|0,0,1]=3 125 B8R1.4 C1CNC(=O)CC1O ACT02046 [0,1,0,0,0,1|1,0,0]=3 126 B8R1.4 C1CNC(=O)C[C@H]1O ACT09754 [0,1,0,0,0,1|1,0,0]=3 127 B8R1.5 C1C[C@@H](C(=O)NC1)N ACT09712 [0,1,0,0,0,1|1,0,0]=3 128 B8R1.5 CC1CNCCC1=O ACT09743 [0,1,0,0,0,1|1,0,0]=3 129 B8R1.72 C1CS(=O)(=O)CCN1 ACT01985 [0,1,0,0,0,1|2,0,0]=4 130 B8R1.1 C1CC(=O)N[C@@H]1CO ACT04172 [0,2,0,0,0,0|2,0,0]=4 131 B8R1.1 C1CC(=O)N[C@H]1CO ACT04367 [0,2,0,0,0,0|2,0,0]=4 132 B8R1.7 C1COC=C1C(=O)O ACT10735 [0,2,0,0,0,0|0,1,1]=4 133 B8R1.7 C1COC[C@H]1C(=O)O ACT09087 [0,2,0,0,0,0|0,1,1]=4 134 B8R1.18 C1[C@H](C(=O)OC1=O)N ACT04893 [0,2,0,0,0,0|2,0,0]=4 135 B8R1.18 CC1CC(=O)NC1=O ACT09858 [0,2,0,0,0,0|2,0,0]=4 136 B8R1.50 C1CC(=O)N(C1=O)O ACT08453 [0,2,0,0,0,0|2,0,0]=4 137 B4R1.1 C1CNC1 ACT04149 [1,0,0,0,1,0|1,0,0]=3