0 B6R0.1 CCCC(=O)SC ACT06405 [0,0,0,0,0,0|3,0,1]=4 1 B6R0.1 CCCC(C=C)O ACT06034 [0,0,0,0,0,0|2,0,2]=4 2 B6R0.1 CCOC(=O)C#C ACT08916 [0,0,0,0,0,0|3,0,1]=4 3 B6R0.1 CCOC(=O)CBr ACT01957 [0,0,0,0,0,0|3,0,1]=4 4 B6R0.1 CCOC(=O)CN ACT03311 [0,0,0,0,0,0|3,0,1]=4 5 B6R0.1 CC\C=C(/C)\C=O ACT06055 [0,0,0,0,0,0|0,0,0]=0 6 B5R0.1 C(CN)C(=O)N ACT05141 [1,0,0,0,0,0|2,0,1]=4 7 B5R0.1 C(CN)C(=O)O ACT04890 [1,0,0,0,0,0|2,0,1]=4 8 B5R0.1 CC#CC(=O)O ACT02801 [1,0,0,0,0,0|1,0,2]=4 9 B5R0.1 CC(=CC#N)N ACT07325 [1,0,0,0,0,0|2,0,1]=4 10 B5R0.1 CC(=CCS)C ACT06408 [1,0,0,0,0,0|1,0,1]=3 11 B5R0.1 CCSC(=O)C ACT06390 [1,0,0,0,0,0|1,0,0]=2 12 B5R0.1 CNCC(=O)O ACT04970 [1,0,0,0,0,0|2,0,1]=4 13 B5R0.2 C(\C=C/CCl)Cl ACT03396 [1,0,0,0,0,0|2,0,1]=4 14 B5R0.2 C(\C=C/CCl)Cl ACT03396 [1,0,0,0,0,0|2,0,1]=4 15 B5R0.2 C(\C=C\CBr)Br ACT03298 [1,0,0,0,0,0|2,0,1]=4 16 B5R0.2 C(\C=C\CCl)Cl ACT12010 [1,0,0,0,0,0|2,0,1]=4 17 B5R0.2 C(\C=C\CCl)O ACT12012 [1,0,0,0,0,0|1,0,2]=4 18 B5R0.3 CCC(C=C)O ACT06029 [1,0,0,0,0,0|2,0,1]=4 19 B7R0.5 CCOC(=O)C(=O)Cl ACT12045 [0,1,0,0,0,0|2,0,0]=3 20 B7R0.7 CCCC(C)CC=S ACT06342 [0,1,0,0,0,0|0,1,2]=4 21 B7R1.1 c1c(nc[nH]1)C=O ACT02030 [0,0,0,1,0,0|2,0,1]=4 22 B7R1.1 c1cc([nH]c1)C=O ACT05084 [0,0,0,1,0,0|1,0,2]=4 23 B7R1.1 c1cscc1C=O ACT02286 [0,0,0,1,0,0|1,0,2]=4 24 B7R1.2 Cc1cc(on1)C ACT07874 [0,0,0,1,0,0|1,0,2]=4 25 B7R1.2 Cc1ccc(o1)C ACT06577 [0,0,0,1,0,0|2,0,1]=4 26 B7R1.3 Cc1cncnc1 ACT01372 [0,0,0,1,0,0|2,0,1]=4 27 B7R1.4 CC1C(=O)CCO1 ACT06568 [0,0,0,1,0,0|1,0,1]=3 28 B7R1.4 CC1C(=O)CCS1 ACT06593 [0,0,0,1,0,0|1,0,1]=3 29 B7R1.4 Cc1ccsc1Br ACT02266 [0,0,0,1,0,0|2,0,1]=4 30 B7R1.4 Cc1cscc1Br ACT08579 [0,0,0,1,0,0|2,0,1]=4 31 B4R0.1 C(=O)C(=O)O ACT06826 [2,0,0,0,0,0|2,0,0]=4 32 B4R0.1 C(C(=O)Br)Br ACT03212 [2,0,0,0,0,0|2,0,0]=4 33 B4R0.1 C(C(=O)O)Br ACT01771 [2,0,0,0,0,0|2,0,0]=4 34 B4R0.1 CC(=C)CBr ACT08856 [2,0,0,0,0,0|1,0,0]=3 35 B4R0.1 CC(=N)OC ACT09196 [2,0,0,0,0,0|2,0,0]=4 36 B4R0.1 CC(=O)C#C ACT08607 [2,0,0,0,0,0|0,0,2]=4 37 B4R0.1 CC(=O)CCl ACT09266 [2,0,0,0,0,0|1,0,0]=3 38 B4R0.1 CC(=O)SC ACT06385 [2,0,0,0,0,0|1,0,0]=3 39 B4R0.1 CC=C(C)Br ACT12017 [2,0,0,0,0,0|1,0,0]=3 40 B4R0.2 C=CCCBr ACT03064 [2,0,0,0,0,0|1,0,1]=4 41 B4R0.2 CCCSC ACT06183 [2,0,0,0,0,0|1,0,1]=4 42 B4R0.2 CCSCC ACT06138 [2,0,0,0,0,0|1,0,1]=4 43 B4R0.2 CNCC=C ACT04698 [2,0,0,0,0,0|1,0,1]=4 44 B4R0.2 CSCC=C ACT06184 [2,0,0,0,0,0|1,0,1]=4 45 B6R0.2 C[C@@H](CC(=O)O)N ACT02393 [1,1,0,0,0,0|1,0,1]=4 46 B6R0.2 C[C@@H](CC(=O)O)N ACT09644 [1,1,0,0,0,0|1,0,1]=4 47 B6R0.2 C[C@H](CC(=O)O)N ACT05190 [1,1,0,0,0,0|1,0,1]=4 48 B6R0.3 C(C(=O)C(=O)O)Br ACT09279 [1,1,0,0,0,0|2,0,0]=4 49 B6R0.3 CCC(=O)N(C)C ACT06844 [1,1,0,0,0,0|1,0,1]=4 50 B6R0.3 CCC(C(=O)C)S ACT06317 [1,1,0,0,0,0|0,0,1]=3 51 B6R0.3 CCC(C(=O)O)Br ACT02003 [1,1,0,0,0,0|1,0,1]=4 52 B6R0.3 CC[C@@H](C(=O)O)N ACT03155 [1,1,0,0,0,0|1,0,1]=4 53 B6R0.4 C(CC(=O)O)CN ACT11886 [1,1,0,0,0,0|1,0,1]=4 54 B6R0.4 C(\C=C\C(=O)O)Cl ACT11965 [1,1,0,0,0,0|1,0,1]=4 55 B6R0.4 CC(=O)CCCO ACT07203 [1,1,0,0,0,0|0,0,1]=3 56 B6R0.4 CC(=O)NCCCl ACT10150 [1,1,0,0,0,0|1,0,0]=3 57 B6R0.4 CCCSC(=O)C ACT06394 [1,1,0,0,0,0|0,0,1]=3 58 B6R0.6 CCC\C=C\C=O ACT06041 [1,1,0,0,0,0|0,0,0]=2 59 B6R1.2 Cc1c[nH]nc1 ACT08853 [1,0,0,1,0,0|2,0,0]=4 60 B6R1.2 Cc1cc[nH]c1 ACT05027 [1,0,0,1,0,0|1,0,1]=4 61 B8R1.1 Cc1ccc(o1)C=O ACT06515 [0,1,0,1,0,0|1,0,1]=4 62 B8R1.18 CC1CC(=O)NC1=O ACT09858 [0,1,0,1,0,0|1,0,1]=4 63 B8R1.2 C1CN(CCN1)C=O ACT08513 [0,1,0,1,0,0|1,0,1]=4 64 B8R1.2 C1COCCC1C=O ACT10828 [0,1,0,1,0,0|0,0,2]=4 65 B8R1.3 Cc1cnc(cn1)C ACT06610 [0,1,0,1,0,0|1,0,1]=4 66 B8R1.5 CC1CNCCC1=O ACT09743 [0,1,0,1,0,0|0,0,2]=4 67 B8R1.5 Cc1ccc[nH]c1=O ACT01511 [0,1,0,1,0,0|0,0,2]=4 68 B8R1.50 C1CC(=O)N(C1=O)O ACT08453 [0,1,0,1,0,0|2,0,0]=4 69 B8R1.7 C1COC=C1C(=O)O ACT10735 [0,1,0,1,0,0|1,0,0]=3 70 B8R1.7 C1C[C@@H](NC1)C(=O)N ACT05031 [0,1,0,1,0,0|1,0,1]=4 71 B8R1.7 C1C[C@@H](NC1)C(=O)O ACT05623 [0,1,0,1,0,0|1,0,1]=4 72 B8R1.7 C1C[C@H](NC1)C(=O)N ACT05030 [0,1,0,1,0,0|1,0,1]=4 73 B8R1.11 Cc1c([nH]cn1)CO ACT08028 [0,1,0,1,0,0|2,0,0]=4