0 B5R0.1 C(CN)C(=O)N ACT05141 [0,0,0,0,0,0|3,0,1]=4 1 B5R0.1 C(CN)C(=O)O ACT04890 [0,0,0,0,0,0|3,0,1]=4 2 B5R0.1 CC#CC(=O)O ACT02801 [0,0,0,0,0,0|2,0,2]=4 3 B5R0.1 CC(=CC#N)N ACT07325 [0,0,0,0,0,0|3,0,1]=4 4 B5R0.1 CC(=CCS)C ACT06408 [0,0,0,0,0,0|3,0,1]=4 5 B5R0.1 CCSC(=O)C ACT06390 [0,0,0,0,0,0|0,1,2]=3 6 B5R0.1 CNCC(=O)O ACT04970 [0,0,0,0,0,0|3,0,1]=4 7 B4R0.1 C(=O)(N)NO ACT02611 [1,0,0,0,0,0|3,0,0]=4 8 B4R0.1 C(=O)C(=O)O ACT06826 [1,0,0,0,0,0|2,0,0]=3 9 B4R0.1 C(C(=O)Br)Br ACT03212 [1,0,0,0,0,0|2,0,1]=4 10 B4R0.1 C(C(=O)O)Br ACT01771 [1,0,0,0,0,0|2,0,1]=4 11 B4R0.1 CC(=C)CBr ACT08856 [1,0,0,0,0,0|2,0,1]=4 12 B4R0.1 CC(=N)OC ACT09196 [1,0,0,0,0,0|1,0,1]=3 13 B4R0.1 CC(=O)C#C ACT08607 [1,0,0,0,0,0|0,0,2]=3 14 B4R0.1 CC(=O)CCl ACT09266 [1,0,0,0,0,0|1,0,1]=3 15 B4R0.1 CC(=O)SC ACT06385 [1,0,0,0,0,0|0,1,1]=3 16 B4R0.1 CC=C(C)Br ACT12017 [1,0,0,0,0,0|1,0,1]=3 17 B4R0.2 C=CCCBr ACT03064 [1,0,0,0,0,0|2,0,1]=4 18 B4R0.2 CCOC#C ACT10610 [1,0,0,0,0,0|0,0,3]=4 19 B4R0.2 CNCC=C ACT04698 [1,0,0,0,0,0|2,0,0]=3 20 B4R0.2 CSCC=C ACT06184 [1,0,0,0,0,0|2,0,0]=3 21 B6R0.1 CC#CC(=O)OC ACT09348 [0,1,0,0,0,0|1,0,2]=4 22 B6R0.1 CCCC(=O)SC ACT06405 [0,1,0,0,0,0|1,0,2]=4 23 B6R0.1 CCOC(=O)C#C ACT08916 [0,1,0,0,0,0|0,0,3]=4 24 B6R0.1 CCOC(=O)CBr ACT01957 [0,1,0,0,0,0|0,0,2]=3 25 B6R0.1 CCOC(=O)CN ACT03311 [0,1,0,0,0,0|0,0,2]=3 26 B6R0.1 CC\C=C(/C)\C=O ACT06055 [0,1,0,0,0,0|1,0,2]=4 27 B6R0.1 CNCC(=O)OC ACT07185 [0,1,0,0,0,0|2,0,1]=4 28 B6R0.1 COC(=O)CCN ACT07866 [0,1,0,0,0,0|2,0,1]=4 29 B6R0.3 CCC(C(=O)C)S ACT06317 [0,1,0,0,0,0|1,0,2]=4 30 B6R0.3 CN(C)C(=O)C=C ACT05674 [0,1,0,0,0,0|3,0,0]=4 31 B6R0.4 C(\C=C\C(=O)O)Cl ACT11965 [0,1,0,0,0,0|2,0,1]=4 32 B6R0.4 CC(=O)CCCO ACT07203 [0,1,0,0,0,0|1,0,2]=4 33 B6R0.4 CC(=O)NCCCl ACT10150 [0,1,0,0,0,0|1,0,2]=4 34 B6R0.4 CCCSC(=O)C ACT06394 [0,1,0,0,0,0|0,1,2]=4 35 B6R0.5 C[Si](C)(C)CC=C ACT10237 [0,1,0,0,0,0|2,1,0]=4 36 B6R1.2 C1C=CCC1N ACT10576 [0,0,0,1,0,0|2,0,1]=4 37 B6R1.2 Cc1[nH]cnn1 ACT04542 [0,0,0,1,0,0|3,0,0]=4 38 B6R1.2 Cc1cc[nH]c1 ACT05027 [0,0,0,1,0,0|3,0,0]=4 39 B6R1.2 Cc1cc[nH]n1 ACT05681 [0,0,0,1,0,0|3,0,0]=4 40 B6R1.2 Cc1cc[nH]n1 ACT05681 [0,0,0,1,0,0|3,0,0]=4 41 B6R1.2 Cc1nc[nH]n1 ACT11132 [0,0,0,1,0,0|3,0,0]=4 42 B6R1.2 c1cc(oc1)Br ACT11323 [0,0,0,1,0,0|1,0,1]=3 43 B6R1.2 c1cc(sc1)S ACT06594 [0,0,0,1,0,0|0,2,1]=4 44 B6R1.2 c1cnc([nH]1)N ACT02001 [0,0,0,1,0,0|3,0,0]=4 45 B3R0.1 C=CCS ACT06237 [2,0,0,0,0,0|0,1,1]=4 46 B3R0.2 CC(=O)Br ACT03135 [2,0,0,0,0,0|1,0,0]=3 47 B3R0.2 CC(=O)[S-] ACT05622 [2,0,0,0,0,0|0,1,0]=3 48 B5R0.3 C=C[C@@H](CO)N ACT09263 [1,1,0,0,0,0|1,0,1]=4 49 B5R0.3 CCC(C=C)O ACT06029 [1,1,0,0,0,0|0,0,2]=4 50 B5R0.3 COC(=O)C#C ACT08917 [1,1,0,0,0,0|0,0,2]=4 51 B5R0.3 COC(=O)CBr ACT01939 [1,1,0,0,0,0|0,0,1]=3 52 B5R0.3 COC(=O)CN ACT08376 [1,1,0,0,0,0|0,0,1]=3 53 B5R0.4 C[Si](C)(C)C=C ACT10207 [1,1,0,0,0,0|1,1,0]=4 54 B5R0.5 CC(=O)C(=O)C ACT06100 [1,1,0,0,0,0|0,0,1]=3 55 B5R0.5 CC(C(=O)C)O ACT06054 [1,1,0,0,0,0|0,0,2]=4 56 B5R0.5 CC(C(=O)C)S ACT06274 [1,1,0,0,0,0|0,0,2]=4 57 B5R0.2 C=CCCC=C ACT05312 [1,1,0,0,0,0|1,0,1]=4 58 B5R0.2 C=CCCCBr ACT10075 [1,1,0,0,0,0|1,0,1]=4 59 B5R0.2 C=CCCCO ACT03061 [1,1,0,0,0,0|1,0,1]=4 60 B5R0.2 CSSCC=C ACT06216 [1,1,0,0,0,0|1,1,0]=4 61 B7R0.2 COC(=O)CC(=S)N ACT08599 [0,2,0,0,0,0|2,0,0]=4 62 B7R0.3 COC(=O)CCC=O ACT08469 [0,2,0,0,0,0|1,0,1]=4 63 B7R0.5 C=CC[C@@H](C(=O)O)N ACT02836 [0,2,0,0,0,0|2,0,0]=4 64 B7R0.5 CCOC(=O)C(C)Br ACT02065 [0,2,0,0,0,0|0,0,2]=4 65 B7R0.5 CCOC(=O)C(C)Cl ACT02803 [0,2,0,0,0,0|0,0,2]=4 66 B7R0.5 CCOC(=O)C(C)N ACT08470 [0,2,0,0,0,0|0,0,2]=4 67 B7R0.5 CCOC(=O)[C@H](C)N ACT00044 [0,2,0,0,0,0|0,0,2]=4 68 B7R0.7 CCOC(=O)C#CC ACT02922 [0,2,0,0,0,0|0,0,2]=4 69 B7R0.7 CCOC(=O)CCN ACT00057 [0,2,0,0,0,0|0,0,2]=4 70 B7R0.7 CCOC(=O)CNC ACT08249 [0,2,0,0,0,0|0,0,2]=4 71 B7R0.7 CCOC(=O)C[N+]#[C-] ACT02731 [0,2,0,0,0,0|0,0,2]=4 72 B7R0.9 CC(=O)O[Si](C)(C)C ACT09455 [0,2,0,0,0,0|0,1,1]=4 73 B7R0.6 CC(=O)CCC(=O)C ACT02799 [0,2,0,0,0,0|1,0,1]=4 74 B7R0.6 CC(=O)NCC(=O)O ACT08307 [0,2,0,0,0,0|1,0,1]=4 75 B5R1.1 C1C=CCN1 ACT12011 [1,0,0,1,0,0|2,0,0]=4 76 B5R1.1 c1cc[nH]c1 ACT06585 [1,0,0,1,0,0|1,0,1]=4 77 B7R1.1 CCc1ccco1 ACT06582 [0,1,0,1,0,0|1,0,0]=3 78 B7R1.1 COc1cccs1 ACT11607 [0,1,0,1,0,0|1,1,0]=4 79 B7R1.1 c1cc([nH]c1)C=O ACT05084 [0,1,0,1,0,0|1,0,1]=4 80 B7R1.1 c1cc(oc1)CO ACT06575 [0,1,0,1,0,0|1,0,0]=3 81 B7R1.1 c1cc(oc1)CS ACT06272 [0,1,0,1,0,0|1,0,0]=3 82 B7R1.2 C1=CC(=O)NC1=O ACT09826 [0,1,0,1,0,0|1,0,1]=4 83 B7R1.2 C1C(=O)NC(=O)S1 ACT04253 [0,1,0,1,0,0|2,0,0]=4 84 B7R1.2 C1CC(=O)OC1=O ACT11409 [0,1,0,1,0,0|0,0,1]=3 85 B7R1.2 Cc1cc(no1)N ACT07207 [0,1,0,1,0,0|2,0,0]=4 86 B7R1.2 Cc1cc(on1)C ACT07874 [0,1,0,1,0,0|1,0,1]=4 87 B7R1.2 Cc1ccc(o1)C ACT06577 [0,1,0,1,0,0|1,0,0]=3 88 B7R1.3 Cc1cnccn1 ACT06608 [0,1,0,1,0,0|2,0,0]=4 89 B7R1.3 c1cc(=O)[nH]nc1 ACT01784 [0,1,0,1,0,0|1,0,1]=4 90 B7R1.4 Cc1c(cco1)S ACT06377 [0,1,0,1,0,0|0,1,0]=3 91 B7R1.4 Cc1ccsc1Br ACT02266 [0,1,0,1,0,0|1,1,0]=4