0 B6R0.1 CC#CC(=O)OC ACT09348 [0,0,0,0,0,0|0,1,2]=3 1 B6R0.1 CCCC(=O)SC ACT06405 [0,0,0,0,0,0|0,0,0]=0 2 B6R0.1 CCCC(C#C)O ACT07175 [0,0,0,0,0,0|1,0,3]=4 3 B6R0.1 CCCC(C=C)O ACT06034 [0,0,0,0,0,0|1,0,3]=4 4 B6R0.1 CCOC(=O)C#C ACT08916 [0,0,0,0,0,0|2,0,1]=3 5 B6R0.1 CCOC(=O)CBr ACT01957 [0,0,0,0,0,0|3,0,0]=3 6 B6R0.1 CCOC(=O)CN ACT03311 [0,0,0,0,0,0|3,0,0]=3 7 B6R0.1 CC\C=C(/C)\C=O ACT06055 [0,0,0,0,0,0|3,0,1]=4 8 B6R0.1 CNCC(=O)OC ACT07185 [0,0,0,0,0,0|1,1,0]=2 9 B6R0.1 COC(=O)CCN ACT07866 [0,0,0,0,0,0|1,1,0]=2 10 B5R0.1 C(CN)C(=O)N ACT05141 [1,0,0,0,0,0|2,0,0]=3 11 B5R0.1 C(CN)C(=O)O ACT04890 [1,0,0,0,0,0|1,1,0]=3 12 B5R0.1 CC#CC(=O)O ACT02801 [1,0,0,0,0,0|0,1,2]=4 13 B5R0.1 CC(=CCS)C ACT06408 [1,0,0,0,0,0|2,0,1]=4 14 B5R0.1 CC(C)CCS ACT06430 [1,0,0,0,0,0|2,0,1]=4 15 B5R0.1 CCSC(=O)C ACT06390 [1,0,0,0,0,0|1,0,0]=2 16 B5R0.1 CNCC(=O)O ACT04970 [1,0,0,0,0,0|1,1,0]=3 17 B5R0.2 CCCCC#C ACT10051 [1,0,0,0,0,0|1,0,2]=4 18 B5R0.2 CCCSSC ACT06210 [1,0,0,0,0,0|1,0,0]=2 19 B5R0.2 CCSSCC ACT06136 [1,0,0,0,0,0|3,0,0]=4 20 B5R0.2 CNCCNC ACT07313 [1,0,0,0,0,0|2,0,1]=4 21 B5R0.2 CSCCCO ACT06341 [1,0,0,0,0,0|1,0,1]=3 22 B5R0.2 CSSCC=C ACT06216 [1,0,0,0,0,0|1,0,2]=4 23 B5R0.3 COC(=O)C#C ACT08917 [1,0,0,0,0,0|0,1,2]=4 24 B5R0.3 COC(=O)CBr ACT01939 [1,0,0,0,0,0|1,1,0]=3 25 B5R0.3 COC(=O)CN ACT08376 [1,0,0,0,0,0|1,1,0]=3 26 B7R0.2 COC(=O)CC(=S)N ACT08599 [0,1,0,0,0,0|1,1,1]=4 27 B7R0.2 C[C@H](CC(=O)OC)O ACT06831 [0,1,0,0,0,0|0,1,0]=2 28 B7R0.3 COC(=O)CCC=O ACT08469 [0,1,0,0,0,0|0,1,1]=3 29 B7R0.3 COC(=O)CCSC ACT06346 [0,1,0,0,0,0|0,1,0]=2 30 B7R0.5 CCOC(=O)C(=O)Cl ACT12045 [0,1,0,0,0,0|3,0,0]=4 31 B7R0.5 CCOC(=O)C(C)Br ACT02065 [0,1,0,0,0,0|2,0,0]=3 32 B7R0.5 CCOC(=O)C(C)Cl ACT02803 [0,1,0,0,0,0|2,0,0]=3 33 B7R0.5 CCOC(=O)C(C)N ACT08470 [0,1,0,0,0,0|2,0,0]=3 34 B7R0.5 CCOC(=O)[C@H](C)N ACT00044 [0,1,0,0,0,0|2,0,0]=3 35 B7R0.7 CCOC(=O)C#CC ACT02922 [0,1,0,0,0,0|2,0,0]=3 36 B7R0.7 CCOC(=O)CCN ACT00057 [0,1,0,0,0,0|1,1,0]=3 37 B7R0.7 CCOC(=O)CNC ACT08249 [0,1,0,0,0,0|1,1,0]=3 38 B7R0.7 CCOC(=O)C[N+]#[C-] ACT02731 [0,1,0,0,0,0|1,1,1]=4 39 B7R0.10 CCC(C(=O)OC)Br ACT02122 [0,1,0,0,0,0|0,1,0]=2 40 B7R0.10 CC[C@H](C(=O)OC)N ACT10443 [0,1,0,0,0,0|0,1,0]=2 41 B7R0.10 COC(=O)C(=C)CO ACT03973 [0,1,0,0,0,0|1,1,1]=4 42 B7R0.10 COC(=O)C(CO)N ACT08359 [0,1,0,0,0,0|1,1,0]=3 43 B7R0.10 COC(=O)[C@@H](CO)N ACT05963 [0,1,0,0,0,0|1,1,0]=3 44 B7R0.10 COC(=O)[C@H](CO)N ACT09183 [0,1,0,0,0,0|1,1,0]=3 45 B7R0.10 COC(=O)[C@H](CS)N ACT07406 [0,1,0,0,0,0|1,1,0]=3 46 B7R1.2 C1C(=O)NC(=O)S1 ACT04253 [0,0,0,1,0,0|2,0,1]=4 47 B7R1.2 C1[C@@H](CNC1=O)O ACT01696 [0,0,0,1,0,0|2,0,0]=3 48 B7R1.3 C1CCN(CC1)N ACT09283 [0,0,0,1,0,0|3,0,0]=4 49 B7R1.3 C1CCN(CC1)O ACT09755 [0,0,0,1,0,0|2,0,1]=4 50 B7R1.3 C1CNCCC1=O ACT02123 [0,0,0,1,0,0|2,0,0]=3 51 B7R1.3 C1COCCC1=O ACT01867 [0,0,0,1,0,0|2,0,0]=3 52 B7R1.3 C[C@@H]1CCCCN1 ACT09105 [0,0,0,1,0,0|2,0,1]=4 53 B7R1.3 C[C@H]1CCCCN1 ACT09533 [0,0,0,1,0,0|2,0,1]=4 54 B7R1.4 C1CNC(=O)C1N ACT09401 [0,0,0,1,0,0|3,0,0]=4 55 B7R1.4 CC1C(=O)CCO1 ACT06568 [0,0,0,1,0,0|2,0,0]=3 56 B7R1.4 CC1C(=O)CCS1 ACT06593 [0,0,0,1,0,0|2,0,0]=3 57 B4R0.1 C(C(=O)Br)Br ACT03212 [2,0,0,0,0,0|2,0,0]=4 58 B4R0.1 C(C(=O)O)Br ACT01771 [2,0,0,0,0,0|1,1,0]=4 59 B4R0.1 CC(=C)CBr ACT08856 [2,0,0,0,0,0|2,0,0]=4 60 B4R0.1 CC(=N)OC ACT09196 [2,0,0,0,0,0|1,1,0]=4 61 B4R0.1 CC(=O)C#C ACT08607 [2,0,0,0,0,0|0,0,2]=4 62 B4R0.1 CC(=O)CCl ACT09266 [2,0,0,0,0,0|1,0,0]=3 63 B4R0.1 CC(=O)SC ACT06385 [2,0,0,0,0,0|0,0,0]=2 64 B4R0.1 CC=C(C)Br ACT12017 [2,0,0,0,0,0|1,0,1]=4 65 B4R0.2 C=CCCBr ACT03064 [2,0,0,0,0,0|1,0,1]=4 66 B4R0.2 CCCCS ACT06241 [2,0,0,0,0,0|0,0,1]=3 67 B4R0.2 CCCSC ACT06183 [2,0,0,0,0,0|0,0,0]=2 68 B4R0.2 CCSCC ACT06138 [2,0,0,0,0,0|1,0,1]=4 69 B4R0.2 CNCC=C ACT04698 [2,0,0,0,0,0|1,0,1]=4 70 B4R0.2 CSCC=C ACT06184 [2,0,0,0,0,0|0,0,2]=4 71 B4R0.2 CSCCO ACT06338 [2,0,0,0,0,0|1,0,0]=3 72 B4R0.2 CSSSC ACT06121 [2,0,0,0,0,0|2,0,0]=4 73 B6R0.2 C[C@@H](CC(=O)O)N ACT02393 [1,1,0,0,0,0|0,1,0]=3 74 B6R0.2 C[C@@H](CC(=O)O)N ACT09644 [1,1,0,0,0,0|0,1,0]=3 75 B6R0.2 C[C@H](CC(=O)O)N ACT05190 [1,1,0,0,0,0|0,1,0]=3 76 B6R0.3 C(C(C(=O)O)N)O ACT07798 [1,1,0,0,0,0|1,1,0]=4 77 B6R0.3 C([C@@H](C(=O)N)N)O ACT05215 [1,1,0,0,0,0|2,0,0]=4 78 B6R0.3 C([C@@H](C(=O)O)N)O ACT08366 [1,1,0,0,0,0|1,1,0]=4 79 B6R0.3 CC(CN)C(=O)O ACT09241 [1,1,0,0,0,0|1,1,0]=4 80 B6R0.3 CCC(C(=O)C)S ACT06317 [1,1,0,0,0,0|0,0,0]=2 81 B6R0.3 CCC(C(=O)O)Br ACT02003 [1,1,0,0,0,0|0,1,0]=3 82 B6R0.3 CC[C@@H](C(=O)O)N ACT03155 [1,1,0,0,0,0|0,1,0]=3 83 B6R0.4 C(CC(=O)O)CN ACT11886 [1,1,0,0,0,0|0,1,0]=3 84 B6R0.4 C(C[N+](=O)[O-])CO ACT03952 [1,1,0,0,0,0|1,1,0]=4 85 B6R0.4 CC(=O)CCCO ACT07203 [1,1,0,0,0,0|0,0,0]=2 86 B6R0.4 CC(=O)NCCCl ACT10150 [1,1,0,0,0,0|1,0,0]=3 87 B6R0.4 CCCSC(=O)C ACT06394 [1,1,0,0,0,0|0,0,0]=2 88 B6R0.5 CS(=O)(=O)CCN ACT11674 [1,1,0,0,0,0|2,0,0]=4 89 B6R0.6 CCC\C=C\C=O ACT06041 [1,1,0,0,0,0|1,0,1]=4 90 B6R0.6 CNCCCNC ACT10138 [1,1,0,0,0,0|1,0,1]=4 91 B8R0.2 CC(C)C(C(=O)OC)Br ACT03009 [0,2,0,0,0,0|0,1,0]=3 92 B8R0.2 CC(C)[C@@H](C(=O)OC)N ACT08510 [0,2,0,0,0,0|0,1,0]=3 93 B8R0.2 CC(C)[C@H](C(=O)OC)N ACT07567 [0,2,0,0,0,0|0,1,0]=3 94 B8R0.1 CCOC(=O)CCCBr ACT03470 [0,2,0,0,0,0|0,1,0]=3 95 B8R0.1 CCOC(=O)CCSC ACT06366 [0,2,0,0,0,0|0,1,0]=3 96 B8R0.1 CCOC(=O)NCCCl ACT09961 [0,2,0,0,0,0|1,1,0]=4 97 B8R0.3 CCC(C(=O)OCC)Br ACT02390 [0,2,0,0,0,0|0,1,0]=3 98 B8R0.3 CCOC(=O)[C@H](CO)N ACT07709 [0,2,0,0,0,0|1,1,0]=4 99 B8R0.3 CCOC(=O)[C@H](CS)N ACT08955 [0,2,0,0,0,0|1,1,0]=4 100 B8R0.6 COCCCC(=O)OC ACT03831 [0,2,0,0,0,0|0,1,0]=3 101 B8R0.14 CCOC(=O)C(C)(C)Br ACT02786 [0,2,0,0,0,0|2,0,0]=4 102 B8R0.22 CCCC(CCO)SC ACT06344 [0,2,0,0,0,0|0,0,2]=4 103 B8R0.13 CC[C@@](C)(C(=O)OC)N ACT10604 [0,2,0,0,0,0|0,1,0]=3 104 B6R1.2 C[C@H]1CCCN1 ACT06587 [1,0,0,1,0,0|1,0,1]=4 105 B8R1.1 C1CC(=O)N[C@@H]1CO ACT04172 [0,1,0,1,0,0|2,0,0]=4 106 B8R1.1 C1CC(=O)N[C@H]1CO ACT04367 [0,1,0,1,0,0|2,0,0]=4 107 B8R1.4 C1CNC(=O)CC1O ACT02046 [0,1,0,1,0,0|1,0,0]=3 108 B8R1.4 C1CNC(=O)C[C@H]1O ACT09754 [0,1,0,1,0,0|1,0,0]=3 109 B8R1.18 CC1CC(=O)NC1=O ACT09858 [0,1,0,1,0,0|1,0,1]=4 110 B8R1.3 C1CC(=O)NCC1O ACT09193 [0,1,0,1,0,0|1,0,0]=3 111 B8R1.3 C1CC(=O)NC[C@H]1O ACT09390 [0,1,0,1,0,0|1,0,0]=3 112 B8R1.3 CN1CCC(=O)CC1 ACT04210 [0,1,0,1,0,0|1,0,0]=3 113 B8R1.5 C1C[C@@H](C(=O)NC1)N ACT09712 [0,1,0,1,0,0|1,0,0]=3 114 B8R1.5 CC1CNCCC1=O ACT09743 [0,1,0,1,0,0|1,0,0]=3