0 B6R0.6 C#CCCCC#C ACT09384 [0,0,0,0,0,0|2,0,2]=4 1 B6R0.6 C=CCCCCCl ACT10617 [0,0,0,0,0,0|3,0,0]=3 2 B6R0.6 C=CCCCCO ACT10087 [0,0,0,0,0,0|3,0,0]=3 3 B6R0.6 C=CCSCC=C ACT06160 [0,0,0,0,0,0|3,0,1]=4 4 B6R0.6 CCC\C=C\C=O ACT06041 [0,0,0,0,0,0|1,0,2]=3 5 B6R0.6 CNCCCNC ACT10138 [0,0,0,0,0,0|3,0,0]=3 6 B6R0.6 CSSSCC=C ACT06482 [0,0,0,0,0,0|3,0,0]=3 7 B5R0.2 C#CCCCCl ACT08610 [1,0,0,0,0,0|2,0,1]=4 8 B5R0.2 C#CCCCO ACT09819 [1,0,0,0,0,0|1,0,2]=4 9 B5R0.2 C(CCO)CN ACT08231 [1,0,0,0,0,0|1,0,2]=4 10 B5R0.2 C=CCCC=C ACT05312 [1,0,0,0,0,0|1,0,2]=4 11 B5R0.2 C=CCCCBr ACT10075 [1,0,0,0,0,0|2,0,0]=3 12 B5R0.2 C=CCCCO ACT03061 [1,0,0,0,0,0|1,1,0]=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|1,0,1]=3 15 B5R0.2 CNCCNC ACT07313 [1,0,0,0,0,0|2,0,1]=4 16 B5R0.2 CSCCCO ACT06341 [1,0,0,0,0,0|0,0,1]=2 17 B5R0.2 CSSCC=C ACT06216 [1,0,0,0,0,0|1,0,1]=3 18 B7R0.1 C#CCCCCCO ACT09966 [0,1,0,0,0,0|2,0,1]=4 19 B7R0.1 C(CCCO)CCN ACT05269 [0,1,0,0,0,0|1,0,2]=4 20 B7R0.1 C(CCCS)CCS ACT06276 [0,1,0,0,0,0|1,1,1]=4 21 B7R0.1 CCCSSCC=C ACT06226 [0,1,0,0,0,0|3,0,0]=4 22 B7R0.3 CCCCC(C#C)O ACT10155 [0,1,0,0,0,0|2,0,1]=4 23 B7R0.3 COC(=O)CCC=O ACT08469 [0,1,0,0,0,0|0,1,1]=3 24 B7R0.3 COC(=O)CCSC ACT06346 [0,1,0,0,0,0|2,0,1]=4 25 B7R0.3 CSCC[C@@H](CO)N ACT04170 [0,1,0,0,0,0|0,0,2]=3 26 B7R0.3 CSCC[C@H](CO)N ACT03140 [0,1,0,0,0,0|0,0,2]=3 27 B7R0.4 C(CCN)CC(=O)O ACT10888 [0,1,0,0,0,0|2,0,0]=3 28 B7R0.4 C(CCl)OCC(=O)N ACT03751 [0,1,0,0,0,0|3,0,0]=4 29 B7R0.4 CC(=O)CCCCBr ACT03439 [0,1,0,0,0,0|2,0,0]=3 30 B7R0.4 CC(C)CCON=O ACT05198 [0,1,0,0,0,0|3,0,0]=4 31 B7R0.7 CCCC(C)CC=S ACT06342 [0,1,0,0,0,0|1,1,0]=3 32 B7R1.1 C1CNC[C@@H]1CO ACT07264 [0,0,0,1,0,0|1,0,2]=4 33 B7R1.1 C1COCC1CO ACT09047 [0,0,0,1,0,0|0,1,2]=4 34 B7R1.3 C1CC(CNC1)O ACT02059 [0,0,0,1,0,0|1,0,2]=4 35 B7R1.3 C1CC(COC1)O ACT09202 [0,0,0,1,0,0|0,1,2]=4 36 B7R1.3 C1CC=CC(C1)O ACT10372 [0,0,0,1,0,0|3,0,0]=4 37 B7R1.3 C1CCN(CC1)N ACT09283 [0,0,0,1,0,0|3,0,0]=4 38 B7R1.3 C1CCN(CC1)O ACT09755 [0,0,0,1,0,0|2,0,1]=4 39 B7R1.3 C1CNCCC1=O ACT02123 [0,0,0,1,0,0|2,0,0]=3 40 B7R1.3 C1COCCC1=O ACT01867 [0,0,0,1,0,0|2,0,0]=3 41 B7R1.3 C1C[C@@H](CNC1)O ACT02045 [0,0,0,1,0,0|1,0,2]=4 42 B7R1.3 C1C[C@H](CNC1)N ACT04891 [0,0,0,1,0,0|2,0,1]=4 43 B7R1.3 C1C[C@H](CNC1)O ACT02079 [0,0,0,1,0,0|1,0,2]=4 44 B7R1.3 C[C@@H]1CCCCN1 ACT09105 [0,0,0,1,0,0|2,0,1]=4 45 B7R1.3 C[C@H]1CCCCN1 ACT09533 [0,0,0,1,0,0|2,0,1]=4 46 B7R1.4 C1CNC(=O)C1N ACT09401 [0,0,0,1,0,0|3,0,0]=4 47 B7R1.4 CC1C(=O)CCO1 ACT06568 [0,0,0,1,0,0|2,0,0]=3 48 B7R1.4 CC1C(=O)CCS1 ACT06593 [0,0,0,1,0,0|2,0,0]=3 49 B4R0.2 C(CCl)CBr ACT04979 [2,0,0,0,0,0|2,0,0]=4 50 B4R0.2 C=CCCBr ACT03064 [2,0,0,0,0,0|1,0,1]=4 51 B4R0.2 CCCCS ACT06241 [2,0,0,0,0,0|0,0,1]=3 52 B4R0.2 CCCSC ACT06183 [2,0,0,0,0,0|0,0,0]=2 53 B4R0.2 CCSCC ACT06138 [2,0,0,0,0,0|1,0,1]=4 54 B4R0.2 CNCC=C ACT04698 [2,0,0,0,0,0|1,0,1]=4 55 B4R0.2 CSCC=C ACT06184 [2,0,0,0,0,0|0,0,1]=3 56 B4R0.2 CSCCO ACT06338 [2,0,0,0,0,0|0,0,1]=3 57 B4R0.2 CSSSC ACT06121 [2,0,0,0,0,0|2,0,0]=4 58 B6R0.1 CCCC(=O)SC ACT06405 [1,1,0,0,0,0|0,0,2]=4 59 B6R0.1 CCCC(C#C)O ACT07175 [1,1,0,0,0,0|1,0,1]=4 60 B6R0.1 CCCC(C=C)O ACT06034 [1,1,0,0,0,0|1,0,0]=3 61 B6R0.1 CC\C=C(/C)\C=O ACT06055 [1,1,0,0,0,0|0,0,2]=4 62 B6R0.1 CNCC(CO)O ACT08072 [1,1,0,0,0,0|1,0,1]=4 63 B6R0.4 C(CC(=O)O)CN ACT11886 [1,1,0,0,0,0|1,0,0]=3 64 B6R0.4 C(C[N+](=O)[O-])CO ACT03952 [1,1,0,0,0,0|1,1,0]=4 65 B6R0.4 CC(=O)CCCO ACT07203 [1,1,0,0,0,0|0,1,0]=3 66 B6R0.4 CC(=O)NCCCl ACT10150 [1,1,0,0,0,0|2,0,0]=4 67 B6R0.4 CC(C)CON=O ACT08297 [1,1,0,0,0,0|2,0,0]=4 68 B6R0.4 CCCSC(=O)C ACT06394 [1,1,0,0,0,0|1,0,0]=3 69 B8R0.6 CCCCCC(C=C)O ACT05316 [0,2,0,0,0,0|2,0,0]=4 70 B8R0.6 COCCCC(=O)OC ACT03831 [0,2,0,0,0,0|0,1,0]=3 71 B8R0.7 C#CCCCCC(=O)O ACT09524 [0,2,0,0,0,0|1,0,1]=4 72 B8R0.8 CCCCC(C(=O)O)Br ACT02064 [0,2,0,0,0,0|1,0,0]=3 73 B8R0.21 CCCCCS(=O)(=O)[O-] ACT04175 [0,2,0,0,0,0|2,0,0]=4 74 B8R0.28 CC(=O)NCCC(=O)O ACT09512 [0,2,0,0,0,0|2,0,0]=4 75 B8R0.28 CN(C)CCCC(=O)O ACT10895 [0,2,0,0,0,0|1,0,0]=3 76 B6R1.2 C1CNC[C@@H]1N ACT06688 [1,0,0,1,0,0|2,0,0]=4 77 B6R1.2 C1CNC[C@@H]1O ACT01716 [1,0,0,1,0,0|1,0,1]=4 78 B6R1.2 C1CNC[C@H]1N ACT04905 [1,0,0,1,0,0|2,0,0]=4 79 B6R1.2 C1CNC[C@H]1O ACT00442 [1,0,0,1,0,0|1,0,1]=4 80 B6R1.2 C1COC[C@@H]1O ACT10453 [1,0,0,1,0,0|0,1,1]=4 81 B6R1.2 C1COC[C@H]1N ACT06806 [1,0,0,1,0,0|1,1,0]=4 82 B6R1.2 C1COC[C@H]1O ACT05256 [1,0,0,1,0,0|0,1,1]=4 83 B6R1.2 C[C@@H]1CCNC1 ACT09361 [1,0,0,1,0,0|1,0,1]=4 84 B6R1.2 C[C@H]1CCCN1 ACT06587 [1,0,0,1,0,0|1,0,1]=4 85 B6R1.2 C[C@H]1CCNC1 ACT11957 [1,0,0,1,0,0|1,0,1]=4 86 B6R1.6 C1CC(C1)CBr ACT03403 [1,0,0,1,0,0|1,0,1]=4 87 B6R1.6 C1CC(C1)CO ACT03329 [1,0,0,1,0,0|0,0,2]=4 88 B8R1.2 C1CN(CCN1)C=O ACT08513 [0,1,0,1,0,0|2,0,0]=4 89 B8R1.2 C1COCCC1C=O ACT10828 [0,1,0,1,0,0|0,1,0]=3 90 B8R1.5 C1C[C@@H](C(=O)NC1)N ACT09712 [0,1,0,1,0,0|2,0,0]=4 91 B8R1.5 CC1CNCCC1=O ACT09743 [0,1,0,1,0,0|1,0,0]=3 92 B8R1.1 C1CC(=O)N[C@@H]1CO ACT04172 [0,1,0,1,0,0|2,0,0]=4 93 B8R1.1 C1CC(=O)N[C@H]1CO ACT04367 [0,1,0,1,0,0|2,0,0]=4 94 B8R1.3 C1CC(=O)NCC1O ACT09193 [0,1,0,1,0,0|2,0,0]=4 95 B8R1.3 C1CC(=O)NC[C@H]1O ACT09390 [0,1,0,1,0,0|2,0,0]=4 96 B8R1.3 CN1CCC(=O)CC1 ACT04210 [0,1,0,1,0,0|2,0,0]=4 97 B8R1.4 C1C(=O)OC(=O)CS1 ACT03974 [0,1,0,1,0,0|1,0,1]=4 98 B8R1.4 C1CNC(=O)CC1O ACT02046 [0,1,0,1,0,0|2,0,0]=4 99 B8R1.4 C1CNC(=O)C[C@H]1O ACT09754 [0,1,0,1,0,0|2,0,0]=4 100 B8R1.7 C1COC[C@H]1C(=O)O ACT09087 [0,1,0,1,0,0|0,1,0]=3 101 B8R1.7 C1C[C@@H](NC1)C(=O)N ACT05031 [0,1,0,1,0,0|2,0,0]=4 102 B8R1.7 C1C[C@@H](NC1)C(=O)O ACT05623 [0,1,0,1,0,0|2,0,0]=4 103 B8R1.7 C1C[C@H](NC1)C(=O)N ACT05030 [0,1,0,1,0,0|2,0,0]=4