0 B3R0.1 C#CCBr ACT00929 [0,0,0,0,0,0|2,0,1]=3 1 B3R0.1 C#CCN ACT03245 [0,0,0,0,0,0|1,0,1]=2 2 B3R0.1 C(CCl)O ACT07200 [0,0,0,0,0,0|1,0,0]=1 3 B3R0.1 C(CF)O ACT09629 [0,0,0,0,0,0|1,0,0]=1 4 B3R0.1 C=CCS ACT06237 [0,0,0,0,0,0|1,1,1]=3 5 B3R0.1 CCCS ACT06229 [0,0,0,0,0,0|1,1,0]=2 6 B3R0.1 CCSC ACT06182 [0,0,0,0,0,0|3,0,0]=3 7 B3R0.1 CSSC ACT06113 [0,0,0,0,0,0|4,0,0]=4 8 B2R0.1 CC#N ACT03992 [1,0,0,0,0,0|0,0,2]=3 9 B2R0.1 CCI ACT05467 [1,0,0,0,0,0|1,0,0]=2 10 B2R0.1 CSC ACT08194 [1,0,0,0,0,0|2,0,0]=3 11 B4R0.1 C(=O)(N)NO ACT02611 [0,1,0,0,0,0|1,0,1]=3 12 B4R0.1 C(=O)C(=O)O ACT06826 [0,1,0,0,0,0|1,0,2]=4 13 B4R0.1 C(C(=N)N)N ACT10088 [0,1,0,0,0,0|1,0,1]=3 14 B4R0.1 C(C(=O)Br)Br ACT03212 [0,1,0,0,0,0|1,0,2]=4 15 B4R0.1 C(C(=O)O)Br ACT01771 [0,1,0,0,0,0|1,0,1]=3 16 B4R0.1 CC(=C)CBr ACT08856 [0,1,0,0,0,0|2,0,1]=4 17 B4R0.1 CC(=O)CCl ACT09266 [0,1,0,0,0,0|1,0,2]=4 18 B4R0.1 CC(C#C)O ACT09213 [0,1,0,0,0,0|1,0,1]=3 19 B4R0.1 CC(C)CS ACT06243 [0,1,0,0,0,0|1,1,0]=3 20 B4R0.1 C[C@@H](CN)N ACT04807 [0,1,0,0,0,0|1,0,0]=2 21 B4R0.1 C[C@H](CN)N ACT06789 [0,1,0,0,0,0|1,0,0]=2 22 B4R0.2 C#CCCO ACT08938 [0,1,0,0,0,0|1,0,0]=2 23 B4R0.2 C(CCl)CBr ACT04979 [0,1,0,0,0,0|2,0,0]=3 24 B4R0.2 C=CCCBr ACT03064 [0,1,0,0,0,0|2,0,0]=3 25 B4R0.2 CC#CCBr ACT08918 [0,1,0,0,0,0|2,0,1]=4 26 B4R0.2 CC#CCO ACT02835 [0,1,0,0,0,0|1,0,1]=3 27 B4R0.2 CCCCS ACT06241 [0,1,0,0,0,0|1,1,0]=3 28 B4R0.2 CCCSC ACT06183 [0,1,0,0,0,0|1,1,0]=3 29 B4R0.2 CCOC#C ACT10610 [0,1,0,0,0,0|2,0,1]=4 30 B4R0.2 CCSCC ACT06138 [0,1,0,0,0,0|2,0,0]=3 31 B4R0.2 CNCC=C ACT04698 [0,1,0,0,0,0|1,0,1]=3 32 B4R0.2 CSCC=C ACT06184 [0,1,0,0,0,0|1,1,1]=4 33 B4R0.2 CSCCO ACT06338 [0,1,0,0,0,0|1,0,0]=2 34 B4R1.1 C1CNC1 ACT04149 [0,0,0,1,0,0|1,0,0]=2 35 B1R0.1 CI ACT10179 [2,0,0,0,0,0|1,0,0]=3 36 B1R0.1 [C-]#N ACT09415 [2,0,0,0,0,0|0,0,2]=4 37 B3R0.2 CC(=O)Br ACT03135 [1,1,0,0,0,0|0,0,2]=4 38 B3R0.2 CC(=O)[S-] ACT05622 [1,1,0,0,0,0|0,0,2]=4 39 B3R0.2 CC(C)S ACT06230 [1,1,0,0,0,0|0,1,0]=3 40 B3R0.2 CC(C)[CH2-] ACT07636 [1,1,0,0,0,0|1,0,0]=3 41 B3R0.2 CP(C)C ACT08935 [1,1,0,0,0,0|2,0,0]=4 42 B5R0.1 C(CN)C(=O)N ACT05141 [0,2,0,0,0,0|0,0,1]=3 43 B5R0.1 C(CN)C(=O)O ACT04890 [0,2,0,0,0,0|0,0,0]=2 44 B5R0.1 CC(C)CCS ACT06430 [0,2,0,0,0,0|1,1,0]=4 45 B5R0.1 CNCC(=O)O ACT04970 [0,2,0,0,0,0|0,0,1]=3 46 B5R0.3 C(C(CO)O)N ACT05643 [0,2,0,0,0,0|0,0,0]=2 47 B5R0.3 C([C@@H](CCl)O)N ACT03555 [0,2,0,0,0,0|0,0,0]=2 48 B5R0.3 C([C@H](CCl)O)O ACT05632 [0,2,0,0,0,0|1,0,0]=3 49 B5R0.3 C=C[C@@H](CO)N ACT09263 [0,2,0,0,0,0|0,0,0]=2 50 B5R0.3 CC(CCl)CBr ACT04986 [0,2,0,0,0,0|2,0,0]=4 51 B5R0.3 CCC(C#C)O ACT09706 [0,2,0,0,0,0|1,0,0]=3 52 B5R0.3 CCC(C=C)O ACT06029 [0,2,0,0,0,0|1,0,0]=3 53 B5R0.3 COC(=O)CBr ACT01939 [0,2,0,0,0,0|1,0,1]=4 54 B5R0.3 COC(=O)CN ACT08376 [0,2,0,0,0,0|0,0,1]=3 55 B5R0.4 C(C(F)(F)F)O ACT10236 [0,2,0,0,0,0|1,0,0]=3 56 B5R0.4 CC(C)(C#C)O ACT07439 [0,2,0,0,0,0|1,0,1]=4 57 B5R0.4 CC(C)(C)CBr ACT09941 [0,2,0,0,0,0|2,0,0]=4 58 B5R0.4 CC(C)(C)CO ACT08906 [0,2,0,0,0,0|1,0,0]=3 59 B5R0.4 CC(CO)(F)F ACT02888 [0,2,0,0,0,0|1,0,0]=3 60 B5R0.4 C[Si](C)(C)CN ACT09163 [0,2,0,0,0,0|1,1,0]=4 61 B5R0.4 C[Si](C)(C)CO ACT09537 [0,2,0,0,0,0|1,1,0]=4 62 B5R0.5 CC(C(=O)C)O ACT06054 [0,2,0,0,0,0|1,0,1]=4 63 B5R0.5 CC(C(=O)O)Br ACT01974 [0,2,0,0,0,0|1,0,1]=4 64 B5R0.5 CC(C(=O)O)N ACT07794 [0,2,0,0,0,0|0,0,1]=3 65 B5R0.5 CC(C(C)S)O ACT06277 [0,2,0,0,0,0|1,0,0]=3 66 B5R0.5 C[C@@H](C(=O)N)N ACT03139 [0,2,0,0,0,0|0,0,2]=4 67 B5R0.5 C[C@H](C(=O)N)N ACT10902 [0,2,0,0,0,0|0,0,2]=4 68 B5R0.5 C[C@H](C(=O)O)N ACT07928 [0,2,0,0,0,0|0,0,1]=3 69 B5R0.2 C#CCCCCl ACT08610 [0,2,0,0,0,0|2,0,0]=4 70 B5R0.2 C#CCCCO ACT09819 [0,2,0,0,0,0|1,0,0]=3 71 B5R0.2 C(CCO)CN ACT08231 [0,2,0,0,0,0|0,0,0]=2 72 B5R0.2 C(\C=C/CCl)Cl ACT03396 [0,2,0,0,0,0|2,0,0]=4 73 B5R0.2 C(\C=C/CCl)Cl ACT03396 [0,2,0,0,0,0|2,0,0]=4 74 B5R0.2 C(\C=C\CBr)Br ACT03298 [0,2,0,0,0,0|2,0,0]=4 75 B5R0.2 C(\C=C\CCl)Cl ACT12010 [0,2,0,0,0,0|2,0,0]=4 76 B5R0.2 C(\C=C\CCl)O ACT12012 [0,2,0,0,0,0|1,0,0]=3 77 B5R0.2 C=CCCC=C ACT05312 [0,2,0,0,0,0|2,0,0]=4 78 B5R0.2 C=CCCCBr ACT10075 [0,2,0,0,0,0|2,0,0]=4 79 B5R0.2 C=CCCCO ACT03061 [0,2,0,0,0,0|1,0,0]=3 80 B5R0.2 CCCCC#C ACT10051 [0,2,0,0,0,0|2,0,0]=4 81 B5R0.2 CCCSSC ACT06210 [0,2,0,0,0,0|1,1,0]=4 82 B5R0.2 CCSSCC ACT06136 [0,2,0,0,0,0|2,0,0]=4 83 B5R0.2 CNCCNC ACT07313 [0,2,0,0,0,0|1,0,0]=3 84 B5R0.2 CSCCCO ACT06341 [0,2,0,0,0,0|1,0,0]=3 85 B5R1.2 C1C(CN1)O ACT02769 [0,1,0,1,0,0|0,0,0]=2 86 B5R1.3 C1CC1CBr ACT02757 [0,1,0,1,0,0|2,0,0]=4 87 B5R1.1 C1C=CCN1 ACT12011 [0,1,0,1,0,0|1,0,1]=4 88 B5R1.1 C1CCCC1 ACT08097 [0,1,0,1,0,0|2,0,0]=4 89 B5R1.1 C1CCOC1 ACT09264 [0,1,0,1,0,0|1,0,0]=3