0 B5R0.5 BrC(C(Br)Br)Br ACS015640 [0,0,0,0,0,0|4,0,0]=4 1 B5R0.5 C(C(C)C)(=O)Cl ACS013410 [0,0,0,0,0,0|1,1,1]=3 2 B5R0.5 CC(C(=O)O)Cl ACS010833 [0,0,0,0,0,0|2,1,1]=4 3 B5R0.5 C[C@@H](C(=O)O)Br ACS011128 [0,0,0,0,0,0|2,1,1]=4 4 B5R0.5 FC(C(=O)C)F ACF024170 [0,0,0,0,0,0|2,1,1]=4 5 B5R0.5 FC(C(=O)O)C ACF017008 [0,0,0,0,0,0|2,1,1]=4 6 B5R0.5 NC(C)B(O)O ACS019375 [0,0,0,0,0,0|3,1,0]=4 7 B5R0.5 N[C@@H](C)B(O)O ACS019409 [0,0,0,0,0,0|3,1,0]=4 8 B5R0.5 N[C@H](C)B(O)O ACS019415 [0,0,0,0,0,0|3,1,0]=4 9 B5R0.5 N[C@H](C)C(=O)O ACS011403 [0,0,0,0,0,0|2,1,1]=4 10 B4R0.1 BrC(CBr)F ACF024067 [1,0,0,0,0,0|3,0,0]=4 11 B4R0.1 BrCC(C)=O ACS012097 [1,0,0,0,0,0|1,1,1]=4 12 B4R0.1 C(C(C)C)#N ACS015707 [1,0,0,0,0,0|1,0,1]=3 13 B4R0.1 C(C)(C)NN ACS014063 [1,0,0,0,0,0|2,0,0]=3 14 B4R0.1 C(CC)(=O)Cl ACS013417 [1,0,0,0,0,0|1,1,1]=4 15 B4R0.1 C[C@H](CO)Cl ACS011129 [1,0,0,0,0,0|1,1,0]=3 16 B4R0.1 C[C@H](CO)O ACS010855 [1,0,0,0,0,0|1,1,0]=3 17 B4R0.1 ClCC(F)F ACF024215 [1,0,0,0,0,0|3,0,0]=4 18 B4R0.1 ClC[C@@H](C)O ACS011608 [1,0,0,0,0,0|1,1,0]=3 19 B4R0.1 ClC[C@H](C)O ACS011609 [1,0,0,0,0,0|1,1,0]=3 20 B4R0.1 FC(CO)F ACF024132 [1,0,0,0,0,0|2,1,0]=4 21 B4R0.1 N[C@@H](C)CO ACS010824 [1,0,0,0,0,0|1,1,0]=3 22 B6R0.3 C(C(C)C)(=O)OC ACS015723 [0,1,0,0,0,0|0,1,1]=3 23 B6R0.3 CC(C)[C@H](CO)N ACS010843 [0,1,0,0,0,0|1,0,0]=2 24 B6R0.3 C[C@H](C(=O)OC)O ACS010882 [0,1,0,0,0,0|1,1,1]=4 25 B6R0.7 BrC(C(=O)Br)(C)C ACS011903 [0,1,0,0,0,0|1,1,1]=4 26 B6R0.7 CC(C(C)(C)C)=O ACS015733 [0,1,0,0,0,0|0,1,1]=3 27 B6R0.7 CC(C(F)(F)F)N ACF024151 [0,1,0,0,0,0|3,0,0]=4 28 B6R0.7 CC(C)(C)S(=O)N ACS010884 [0,1,0,0,0,0|2,1,0]=4 29 B6R0.7 CC(C)(C)[S@](=O)N ACS010883 [0,1,0,0,0,0|2,1,0]=4 30 B6R0.7 CC(C)S(=O)(=O)Cl ACS013334 [0,1,0,0,0,0|2,1,0]=4 31 B6R0.7 C[C@@H](C(C)(C)C)N ACS017213 [0,1,0,0,0,0|1,0,0]=2 32 B6R0.7 C[C@H](O)C(F)(F)F ACF022482 [0,1,0,0,0,0|2,1,0]=4 33 B6R0.7 FC(C(C)O)(F)F ACF024141 [0,1,0,0,0,0|2,1,0]=4 34 B6R0.7 FC(F)[Si](C)(C)C ACF023765 [0,1,0,0,0,0|2,1,0]=4 35 B6R0.7 NC(C(F)(F)F)C ACF024181 [0,1,0,0,0,0|3,0,0]=4 36 B6R0.7 N[C@@H](C(F)(F)F)C ACF024203 [0,1,0,0,0,0|3,0,0]=4 37 B6R0.7 N[C@H](C(F)(F)F)C ACF024204 [0,1,0,0,0,0|3,0,0]=4 38 B6R1.4 FC1C(CC1)N ACF023532 [0,0,0,1,0,0|2,0,0]=3 39 B6R1.4 FC1C(CC1)O ACF023529 [0,0,0,1,0,0|1,1,0]=3 40 B6R1.4 FC1C(NC1)C ACF022170 [0,0,0,1,0,0|2,0,0]=3 41 B6R1.9 FC1(C(C1)O)F ACF021749 [0,0,0,1,0,0|2,1,0]=4 42 B6R1.11 C1(CC1)B(O)O ACS010571 [0,0,0,1,0,0|2,1,0]=4 43 B6R1.11 C1(CC1)C(=O)Cl ACS016497 [0,0,0,1,0,0|1,1,1]=4 44 B6R1.11 C1(CC1)C(=O)N ACS014088 [0,0,0,1,0,0|1,1,1]=4 45 B6R1.11 C1(CC1)C(N)=N ACS015578 [0,0,0,1,0,0|2,0,1]=4 46 B6R1.11 C1(CC1)C(N)=S ACS012201 [0,0,0,1,0,0|1,0,2]=4 47 B3R0.1 BrCCBr ACS015665 [2,0,0,0,0,0|2,0,0]=4 48 B3R0.1 BrCCO ACS012288 [2,0,0,0,0,0|1,1,0]=4 49 B3R0.1 C(CC)#N ACS015759 [2,0,0,0,0,0|1,0,1]=4 50 B3R0.1 C(CS)S ACS011518 [2,0,0,0,0,0|1,0,0]=3 51 B3R0.1 CNOC ACS012143 [2,0,0,0,0,0|2,0,0]=4 52 B3R0.1 COCCl ACS015654 [2,0,0,0,0,0|2,0,0]=4 53 B3R0.2 BrC(C)C ACS015643 [2,0,0,0,0,0|1,0,0]=3 54 B3R0.2 CP(C)=O ACS012210 [2,0,0,0,0,0|1,1,0]=4 55 B5R0.1 C(C)(C)SC#N ACS015768 [1,1,0,0,0,0|1,0,1]=4 56 B5R0.1 CC(=CCBr)C ACS015684 [1,1,0,0,0,0|0,0,2]=4 57 B5R0.1 CC(CC=O)C ACS015719 [1,1,0,0,0,0|0,0,1]=3 58 B5R0.3 C([C@@H](CCl)O)O ACS010830 [1,1,0,0,0,0|1,1,0]=4 59 B5R0.3 C([C@@H](CO)O)N ACS010825 [1,1,0,0,0,0|1,1,0]=4 60 B5R0.3 C([C@H](CCl)O)O ACS010831 [1,1,0,0,0,0|1,1,0]=4 61 B5R0.3 NC(CO)CC ACS011654 [1,1,0,0,0,0|1,0,0]=3 62 B5R0.3 NCC(CN)O ACS012389 [1,1,0,0,0,0|1,1,0]=4 63 B5R0.3 NC[C@@H](CCl)O ACS020120 [1,1,0,0,0,0|1,1,0]=4 64 B5R0.3 NC[C@@H](CO)F ACF022187 [1,1,0,0,0,0|1,1,0]=4 65 B5R0.3 NC[C@H](CO)F ACF022188 [1,1,0,0,0,0|1,1,0]=4 66 B5R0.3 SCC(=O)OC ACS011380 [1,1,0,0,0,0|1,0,1]=4 67 B5R0.4 CC(C#N)(C)C ACS015757 [1,1,0,0,0,0|1,0,1]=4 68 B5R0.4 CC(C=O)(C)C ACS010245 [1,1,0,0,0,0|0,1,1]=4 69 B5R0.4 CC(CN)(C)N ACS020018 [1,1,0,0,0,0|1,0,0]=3 70 B5R0.4 NCC(C)(S)C ACS017169 [1,1,0,0,0,0|1,0,0]=3 71 B7R0.9 C(C)(=O)OC(C)(C)C ACS024598 [0,1,0,0,0,1|0,1,1]=4 72 B7R0.9 CN(C)CC(C)(C)O ACS015678 [0,1,0,0,0,1|1,1,0]=4 73 B7R0.16 CN(C(C(C)C)=O)C ACS015751 [0,1,0,0,0,1|2,0,0]=4 74 B7R0.5 CC(C(CC#N)=O)C ACS015725 [0,2,0,0,0,0|0,1,1]=4 75 B7R0.14 FC(C(=O)OC)(C)C ACF017179 [0,2,0,0,0,0|0,1,1]=4 76 B7R0.14 NC(C(=O)OC)(C)C ACS011771 [0,2,0,0,0,0|0,1,1]=4 77 B7R0.15 COC(C(=O)C)OC ACS011290 [0,2,0,0,0,0|0,1,1]=4 78 B7R0.15 COC(N(C)C)OC ACS011394 [0,2,0,0,0,0|1,1,0]=4 79 B5R1.2 C1(CCC1)=O ACS011189 [1,0,0,1,0,0|0,1,1]=4 80 B5R1.2 FC1CNC1 ACF021018 [1,0,0,1,0,0|2,0,0]=4 81 B5R1.2 FC1CNC1 ACF021019 [1,0,0,1,0,0|2,0,0]=4 82 B5R1.3 BrCC1CC1 ACS016880 [1,0,0,1,0,0|1,0,0]=3 83 B5R1.3 C(#N)C1CC1 ACS015609 [1,0,0,1,0,0|1,0,1]=4 84 B5R1.3 C(Cl)C1CO1 ACS015346 [1,0,0,1,0,0|1,1,0]=4 85 B5R1.3 C1(CC1)CO ACS011265 [1,0,0,1,0,0|0,1,0]=3 86 B5R1.3 C1C(O1)CCl ACS010842 [1,0,0,1,0,0|1,1,0]=4 87 B5R1.3 C1[C@H](CC)O1 ACS011611 [1,0,0,1,0,0|0,1,0]=3 88 B5R1.4 FC1C(C1)N ACF021649 [1,0,0,1,0,0|2,0,0]=4 89 B5R1.4 F[C@@H]1[C@@H](C1)N ACF022634 [1,0,0,1,0,0|2,0,0]=4 90 B5R1.4 F[C@@H]1[C@H](C1)N ACF021650 [1,0,0,1,0,0|2,0,0]=4 91 B5R1.4 F[C@H]1[C@H](C1)N ACF021651 [1,0,0,1,0,0|2,0,0]=4 92 B5R1.5 CC1(CC1)O ACS023902 [1,0,0,1,0,0|0,1,0]=3 93 B5R1.5 CC1(OC1)C ACS015341 [1,0,0,1,0,0|0,1,0]=3 94 B7R1.2 CN1CC(CC1)O ACS024240 [0,0,0,1,0,1|1,1,0]=4 95 B7R1.2 CN1C[C@@H](CC1)O ACS011600 [0,0,0,1,0,1|1,1,0]=4 96 B7R1.2 FC1CC(CC1)O ACF022432 [0,0,0,1,0,1|1,1,0]=4 97 B7R1.2 N[C@@H]1C[C@@H](CC1)O ACS017217 [0,0,0,1,0,1|1,1,0]=4 98 B7R1.4 F[C@@H]1CNC[C@@H]1C ACF022236 [0,1,0,1,0,0|1,0,0]=3 99 B7R1.4 F[C@@H]1CNC[C@@H]1C ACF022237 [0,1,0,1,0,0|1,0,0]=3 100 B7R1.4 F[C@@H]1CNC[C@@H]1F ACF022971 [0,1,0,1,0,0|2,0,0]=4 101 B7R1.4 F[C@@H]1CNC[C@H]1F ACF022968 [0,1,0,1,0,0|2,0,0]=4 102 B7R1.4 F[C@@H]1CNC[C@H]1F ACF022969 [0,1,0,1,0,0|2,0,0]=4 103 B7R1.4 F[C@@H]1[C@@H](CCC1)N ACF021523 [0,1,0,1,0,0|2,0,0]=4 104 B7R1.4 F[C@@H]1[C@@H](CCC1)N ACF021524 [0,1,0,1,0,0|2,0,0]=4 105 B7R1.4 F[C@@H]1[C@@H](CCC1)N ACF021525 [0,1,0,1,0,0|2,0,0]=4 106 B7R1.4 F[C@@H]1[C@@H](CNC1)O ACF021365 [0,1,0,1,0,0|1,1,0]=4 107 B7R1.4 F[C@@H]1[C@@H](CNC1)O ACF022233 [0,1,0,1,0,0|1,1,0]=4 108 B7R1.4 F[C@@H]1[C@@H](CNC1)O ACF022234 [0,1,0,1,0,0|1,1,0]=4 109 B7R1.4 F[C@@H]1[C@@H](COC1)N ACF021290 [0,1,0,1,0,0|2,0,0]=4 110 B7R1.4 F[C@@H]1[C@H](COC1)N ACF021287 [0,1,0,1,0,0|2,0,0]=4 111 B7R1.4 F[C@H]1CNC[C@@H]1F ACF022970 [0,1,0,1,0,0|2,0,0]=4 112 B7R1.4 F[C@H]1[C@@H](CCC1)N ACF021528 [0,1,0,1,0,0|2,0,0]=4 113 B7R1.4 F[C@H]1[C@@H](CCC1)N ACF021529 [0,1,0,1,0,0|2,0,0]=4 114 B7R1.4 F[C@H]1[C@@H](CCC1)N ACF021530 [0,1,0,1,0,0|2,0,0]=4 115 B7R1.4 F[C@H]1[C@@H](CNC1)O ACF022974 [0,1,0,1,0,0|1,1,0]=4 116 B7R1.4 F[C@H]1[C@@H](CNC1)O ACF022975 [0,1,0,1,0,0|1,1,0]=4 117 B7R1.4 F[C@H]1[C@@H](CNC1)O ACF022976 [0,1,0,1,0,0|1,1,0]=4 118 B7R1.4 F[C@H]1[C@@H](COC1)N ACF021288 [0,1,0,1,0,0|2,0,0]=4 119 B7R1.4 F[C@H]1[C@@H](COC1)N ACF021289 [0,1,0,1,0,0|2,0,0]=4 120 B7R1.4 F[C@H]1[C@H](CCC1)N ACF021526 [0,1,0,1,0,0|2,0,0]=4 121 B7R1.4 F[C@H]1[C@H](CCC1)N ACF021527 [0,1,0,1,0,0|2,0,0]=4 122 B7R1.4 F[C@H]1[C@H](CNC1)O ACF022235 [0,1,0,1,0,0|1,1,0]=4 123 B7R1.4 N1C[C@@H]([C@H](C1)O)O ACS024147 [0,1,0,1,0,0|1,1,0]=4 124 B7R1.8 FC1C(CC1)CN ACF023536 [0,1,0,1,0,0|1,0,0]=3 125 B7R1.8 FC1C(CC1)CN ACF023537 [0,1,0,1,0,0|1,0,0]=3 126 B7R1.8 FC1C(CC1)CO ACF023531 [0,1,0,1,0,0|1,0,0]=3 127 B7R1.17 FC1(C(CC1)O)F ACF023530 [0,1,0,1,0,0|1,1,0]=4 128 B7R1.17 FC1(C(NC1)C)F ACF022169 [0,1,0,1,0,0|2,0,0]=4 129 B7R1.18 FC(C)C1CNC1 ACF023601 [0,1,0,1,0,0|1,0,0]=3 130 B7R1.22 BrCC(=O)C1CC1 ACS015800 [0,1,0,1,0,0|0,1,1]=4 131 B7R1.22 C1(CC1)C(=O)OC ACS015615 [0,1,0,1,0,0|0,1,1]=4 132 B7R1.22 C1(CC1)C(CO)F ACF022312 [0,1,0,1,0,0|1,0,0]=3