0 B6R0.2 CC(C)NC(C)C ACT04717 [0,0,0,0,0,0|2,0,2]=4 1 B6R0.2 CC(C)SC(C)C ACT06148 [0,0,0,0,0,0|2,0,2]=4 2 B6R0.2 C[C@@H](CC(=O)O)N ACT02393 [0,0,0,0,0,0|2,0,2]=4 3 B6R0.2 C[C@@H](CC(=O)O)N ACT09644 [0,0,0,0,0,0|2,0,2]=4 4 B6R0.2 C[C@H](CC(=O)O)N ACT05190 [0,0,0,0,0,0|2,0,2]=4 5 B5R0.1 CC#CC(=O)O ACT02801 [1,0,0,0,0,0|1,0,2]=4 6 B5R0.1 CC(=CC#N)N ACT07325 [1,0,0,0,0,0|2,0,1]=4 7 B5R0.1 CC(=CCS)C ACT06408 [1,0,0,0,0,0|0,1,1]=3 8 B5R0.1 CCSC(=O)C ACT06390 [1,0,0,0,0,0|1,0,1]=3 9 B5R0.1 CNCC(=O)O ACT04970 [1,0,0,0,0,0|2,0,1]=4 10 B7R0.2 CC[C@H](C)CC(=O)O ACT09115 [0,1,0,0,0,0|1,0,2]=4 11 B7R0.2 COC(=O)CC(=S)N ACT08599 [0,1,0,0,0,0|2,0,1]=4 12 B7R0.2 C[C@H](CC(=O)OC)O ACT06831 [0,1,0,0,0,0|1,0,2]=4 13 B7R0.9 CC(=O)CC(C)(C)S ACT05878 [0,1,0,0,0,0|0,0,2]=3 14 B7R0.9 CC(=O)N[Si](C)(C)C ACT08258 [0,1,0,0,0,0|1,1,0]=3 15 B7R0.9 CC(=O)O[Si](C)(C)C ACT09455 [0,1,0,0,0,0|1,1,0]=3 16 B7R0.9 CC(C)(C)CC(=O)Cl ACT06988 [0,1,0,0,0,0|1,0,2]=4 17 B7R0.9 CC(C)(C)CC(=O)O ACT06987 [0,1,0,0,0,0|1,0,2]=4 18 B7R0.9 C[Si](C)(C)CC(=O)O ACT09356 [0,1,0,0,0,0|1,1,1]=4 19 B7R0.16 CC(C)[C@H](C(=O)N)N ACT03147 [0,1,0,0,0,0|1,0,2]=4 20 B7R0.16 CC(C)[C@H](C(=O)O)N ACT04818 [0,1,0,0,0,0|1,0,2]=4 21 B7R1.2 C1C(=O)NC(=O)S1 ACT04253 [0,0,0,1,0,0|3,0,0]=4 22 B7R1.2 C1CC(=O)OC1=O ACT11409 [0,0,0,1,0,0|2,0,0]=3 23 B7R1.2 Cc1cc(no1)N ACT07207 [0,0,0,1,0,0|2,0,1]=4 24 B7R1.2 Cc1cc(on1)C ACT07874 [0,0,0,1,0,0|1,0,1]=3 25 B7R1.2 Cc1ccc(o1)C ACT06577 [0,0,0,1,0,0|2,0,1]=4 26 B5R0.5 CC(=O)C(=O)C ACT06100 [0,0,0,0,1,0|1,0,0]=2 27 B5R0.5 CC(C(=O)Br)Br ACT03417 [0,0,0,0,1,0|2,0,1]=4 28 B5R0.5 CC(C(=O)C)O ACT06054 [0,0,0,0,1,0|1,0,1]=3 29 B5R0.5 CC(C(=O)C)S ACT06274 [0,0,0,0,1,0|1,0,1]=3 30 B5R0.5 CC(C(=O)O)Br ACT01974 [0,0,0,0,1,0|2,0,1]=4 31 B5R0.5 CC(C(=O)O)N ACT07794 [0,0,0,0,1,0|2,0,1]=4 32 B5R0.5 CC(C)C(=O)Cl ACT05625 [0,0,0,0,1,0|1,0,1]=3 33 B5R0.5 C[C@@H](C(=O)N)N ACT03139 [0,0,0,0,1,0|2,0,1]=4 34 B5R0.5 C[C@H](C(=O)N)N ACT10902 [0,0,0,0,1,0|2,0,1]=4 35 B5R0.5 C[C@H](C(=O)O)N ACT07928 [0,0,0,0,1,0|2,0,1]=4 36 B7R0.6 CC(=O)CCC(=O)C ACT02799 [0,0,0,0,0,1|1,0,1]=3 37 B7R0.6 CC(=O)NCC(=O)O ACT08307 [0,0,0,0,0,1|2,0,1]=4 38 B7R0.6 CN(C)CCC(=O)O ACT09593 [0,0,0,0,0,1|2,0,1]=4 39 B4R0.1 C(=O)C(=O)O ACT06826 [2,0,0,0,0,0|2,0,0]=4 40 B4R0.1 CC(=N)OC ACT09196 [2,0,0,0,0,0|2,0,0]=4 41 B4R0.1 CC(=O)C#C ACT08607 [2,0,0,0,0,0|0,0,2]=4 42 B4R0.1 CC(=O)CCl ACT09266 [2,0,0,0,0,0|1,0,1]=4 43 B4R0.1 CC(=O)SC ACT06385 [2,0,0,0,0,0|1,0,0]=3 44 B4R0.1 CC=C(C)Br ACT12017 [2,0,0,0,0,0|1,0,0]=3 45 B6R0.1 CC#CC(=O)OC ACT09348 [1,1,0,0,0,0|0,0,2]=4 46 B6R0.1 CCCC(=O)SC ACT06405 [1,1,0,0,0,0|0,0,2]=4 47 B6R0.1 CCOC(=O)CBr ACT01957 [1,1,0,0,0,0|1,0,1]=4 48 B6R0.1 CCOC(=O)CN ACT03311 [1,1,0,0,0,0|1,0,1]=4 49 B6R0.1 CC\C=C(/C)\C=O ACT06055 [1,1,0,0,0,0|0,0,1]=3 50 B6R0.1 CNCC(=O)OC ACT07185 [1,1,0,0,0,0|1,0,1]=4 51 B6R0.3 CCC(=O)N(C)C ACT06844 [1,1,0,0,0,0|1,0,1]=4 52 B6R0.3 CCC(C(=O)C)S ACT06317 [1,1,0,0,0,0|0,0,2]=4 53 B6R0.3 CN(C)C(=O)C=C ACT05674 [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|1,0,0]=3 55 B6R0.4 CC(=O)CCCO ACT07203 [1,1,0,0,0,0|0,0,2]=4 56 B6R0.4 CC(=O)NCCCl ACT10150 [1,1,0,0,0,0|1,0,1]=4 57 B6R0.4 CCCSC(=O)C ACT06394 [1,1,0,0,0,0|0,0,2]=4 58 B6R0.7 CC(=O)C(C)(C)O ACT02809 [0,1,0,0,1,0|0,0,1]=3 59 B6R0.7 CC(C)(C)C(=O)N ACT11908 [0,1,0,0,1,0|1,0,1]=4 60 B8R0.29 CC(=O)C#C[Si](C)(C)C ACT08921 [0,1,0,0,0,1|0,1,1]=4 61 B8R0.2 CC(C)C(C(=O)OC)Br ACT03009 [0,2,0,0,0,0|0,0,2]=4 62 B8R0.2 CC(C)[C@@H](C(=O)OC)N ACT08510 [0,2,0,0,0,0|0,0,2]=4 63 B8R0.2 CC(C)[C@H](C(=O)OC)N ACT07567 [0,2,0,0,0,0|0,0,2]=4 64 B8R0.24 CC(C)(C)OC(=O)CBr ACT01959 [0,2,0,0,0,0|1,0,1]=4 65 B8R0.24 CC(C)(C)OC(=O)CCl ACT03419 [0,2,0,0,0,0|1,0,1]=4 66 B8R0.24 CC(C)(C)OC(=O)CN ACT02827 [0,2,0,0,0,0|1,0,1]=4 67 B8R0.34 CC(=O)CC(C)(C)SC ACT06334 [0,2,0,0,0,0|0,0,2]=4 68 B6R1.2 Cc1cc[nH]c1 ACT05027 [1,0,0,1,0,0|1,0,1]=4 69 B6R1.2 Cc1cc[nH]n1 ACT05681 [1,0,0,1,0,0|2,0,0]=4 70 B6R1.2 Cc1cc[nH]n1 ACT05681 [1,0,0,1,0,0|2,0,0]=4 71 B8R1.3 CN1CCC(=O)CC1 ACT04210 [0,0,0,1,0,1|1,0,1]=4 72 B8R1.3 Cc1cnc(cn1)C ACT06610 [0,0,0,1,0,1|1,0,1]=4 73 B8R1.1 C1CC(=O)N[C@@H]1CO ACT04172 [0,1,0,1,0,0|1,0,1]=4 74 B8R1.1 C1CC(=O)N[C@H]1CO ACT04367 [0,1,0,1,0,0|1,0,1]=4 75 B8R1.4 C1C(=O)OC(=O)CS1 ACT03974 [0,1,0,1,0,0|2,0,0]=4 76 B8R1.18 C1[C@H](C(=O)OC1=O)N ACT04893 [0,1,0,1,0,0|2,0,0]=4 77 B8R1.18 CC1CC(=O)NC1=O ACT09858 [0,1,0,1,0,0|2,0,0]=4 78 B8R1.18 Cc1c(oc(=O)o1)C ACT08015 [0,1,0,1,0,0|2,0,0]=4 79 B8R1.18 Cc1cc(c(o1)C)S ACT06481 [0,1,0,1,0,0|1,0,1]=4 80 B8R1.18 Cc1cc(n(n1)C)O ACT09803 [0,1,0,1,0,0|1,0,1]=4 81 B8R1.50 C1CC(=O)N(C1=O)O ACT08453 [0,1,0,1,0,0|2,0,0]=4