0 B5R0.1 C(C)(C)SC#N ACS015768 [0,0,0,0,0,0|2,0,1]=3 1 B5R0.1 CC(=CCBr)C ACS015684 [0,0,0,0,0,0|1,0,3]=4 2 B5R0.1 CC(CC=O)C ACS015719 [0,0,0,0,0,0|0,0,0]=0 3 B4R0.1 BrC(CBr)F ACF024067 [1,0,0,0,0,0|3,0,0]=4 4 B4R0.1 BrCC(C)=O ACS012097 [1,0,0,0,0,0|2,0,1]=4 5 B4R0.1 C(C(C)C)#N ACS015707 [1,0,0,0,0,0|1,0,1]=3 6 B4R0.1 C(C)(C)NN ACS014063 [1,0,0,0,0,0|2,0,0]=3 7 B4R0.1 C[C@H](CO)Cl ACS011129 [1,0,0,0,0,0|1,0,1]=3 8 B4R0.1 C[C@H](CO)O ACS010855 [1,0,0,0,0,0|1,0,1]=3 9 B4R0.1 ClCC(F)F ACF024215 [1,0,0,0,0,0|3,0,0]=4 10 B4R0.1 ClC[C@@H](C)O ACS011608 [1,0,0,0,0,0|2,0,0]=3 11 B4R0.1 ClC[C@H](C)O ACS011609 [1,0,0,0,0,0|2,0,0]=3 12 B4R0.1 FC(CO)F ACF024132 [1,0,0,0,0,0|2,0,1]=4 13 B4R0.1 N[C@@H](C)CO ACS010824 [1,0,0,0,0,0|1,0,1]=3 14 B4R0.2 BrCCCCl ACS015639 [1,0,0,0,0,0|2,0,1]=4 15 B4R0.2 C(/C=C/C)=O ACS015659 [1,0,0,0,0,0|0,0,2]=3 16 B4R0.2 C(=C)OCC ACS015700 [1,0,0,0,0,0|2,0,0]=3 17 B4R0.2 C(=O)OCC ACS015696 [1,0,0,0,0,0|1,0,0]=2 18 B4R0.2 C(CCC)=O ACS015647 [1,0,0,0,0,0|0,0,0]=1 19 B4R0.2 C(CCC)O ACS015648 [1,0,0,0,0,0|0,0,2]=3 20 B4R0.2 CCOCC ACF015760 [1,0,0,0,0,0|2,0,1]=4 21 B4R0.2 CNCC#C ACS015721 [1,0,0,0,0,0|2,0,1]=4 22 B4R0.2 COCC#N ACS013800 [1,0,0,0,0,0|2,0,1]=4 23 B4R0.2 FCCCO ACF017205 [1,0,0,0,0,0|1,0,2]=4 24 B6R0.1 F[C@H](CN)COC ACF022189 [0,1,0,0,0,0|3,0,0]=4 25 B6R0.2 C(CC(=O)O)(=O)O ACS015709 [0,1,0,0,0,0|2,0,1]=4 26 B6R0.2 C(CC(=O)O)(=O)O ACS015731 [0,1,0,0,0,0|2,0,1]=4 27 B6R0.2 CC(=CC(=O)O)C ACS012002 [0,1,0,0,0,0|0,0,2]=3 28 B6R0.2 FC(CC(=O)O)F ACF023578 [0,1,0,0,0,0|2,0,0]=3 29 B6R0.2 [N+](=O)([O-])CC(=O)N ACS018988 [0,1,0,0,0,0|3,0,0]=4 30 B6R0.3 C(C(C)C)(=O)OC ACS015723 [0,1,0,0,0,0|2,0,1]=4 31 B6R0.3 CC(C)[C@H](CO)N ACS010843 [0,1,0,0,0,0|0,0,2]=3 32 B6R0.4 C(C)(C)NCCN ACS011159 [0,1,0,0,0,0|1,0,1]=3 33 B6R0.5 C(C)(C)(C)N=C=O ACS012388 [0,1,0,0,0,0|1,0,1]=3 34 B6R0.5 CC(C)(C)CC=O ACS010443 [0,1,0,0,0,0|0,0,0]=1 35 B6R1.2 BrC1CCCC1 ACS015617 [0,0,0,1,0,0|2,0,1]=4 36 B6R1.2 BrC1COCC1 ACS019129 [0,0,0,1,0,0|1,0,2]=4 37 B6R1.2 C1COC[C@@H]1O ACS010999 [0,0,0,1,0,0|1,0,2]=4 38 B6R1.2 CC1CCCO1 ACS011384 [0,0,0,1,0,0|2,0,1]=4 39 B6R1.2 F[C@@H]1CNCC1 ACF021035 [0,0,0,1,0,0|2,0,1]=4 40 B6R1.2 F[C@@H]1CNCC1 ACF021036 [0,0,0,1,0,0|2,0,1]=4 41 B6R1.2 F[C@H]1CNCC1 ACF021037 [0,0,0,1,0,0|2,0,1]=4 42 B6R1.2 F[C@H]1CNCC1 ACF021038 [0,0,0,1,0,0|2,0,1]=4 43 B6R1.2 O1C[C@@H](CC1)N ACS011703 [0,0,0,1,0,0|1,0,2]=4 44 B6R1.2 O1C[C@@H](CC1)N ACS020283 [0,0,0,1,0,0|1,0,2]=4 45 B6R1.2 O1C[C@H](CC1)N ACS011673 [0,0,0,1,0,0|1,0,2]=4 46 B6R1.2 O[C@@H]1CNCC1 ACS024239 [0,0,0,1,0,0|2,0,1]=4 47 B6R1.3 C1(CC1)CC#N ACS016977 [0,0,0,1,0,0|1,0,1]=3 48 B6R1.3 C1(CC1)CCO ACS016870 [0,0,0,1,0,0|0,0,2]=3 49 B6R1.3 ICCC1CC1 ACS016871 [0,0,0,1,0,0|1,0,1]=3 50 B6R1.5 CN1CC(C1)O ACS023900 [0,0,0,1,0,0|1,0,2]=4 51 B6R1.5 FC1CC(C1)=O ACF021232 [0,0,0,1,0,0|1,0,0]=2 52 B6R1.5 FC1CC(C1)N ACF021053 [0,0,0,1,0,0|2,0,1]=4 53 B6R1.5 FC1CC(C1)N ACF021054 [0,0,0,1,0,0|2,0,1]=4 54 B6R1.5 FC1CC(C1)O ACF021435 [0,0,0,1,0,0|1,0,2]=4 55 B6R1.5 F[C@@H]1C[C@H](C1)N ACF022995 [0,0,0,1,0,0|2,0,1]=4 56 B6R1.5 F[C@@H]1C[C@H](C1)N ACF022996 [0,0,0,1,0,0|2,0,1]=4 57 B6R1.5 F[C@@H]1C[C@H](C1)O ACF023004 [0,0,0,1,0,0|1,0,2]=4 58 B6R1.5 F[C@H]1C[C@H](C1)N ACF022997 [0,0,0,1,0,0|2,0,1]=4 59 B6R1.5 F[C@H]1C[C@H](C1)N ACF022998 [0,0,0,1,0,0|2,0,1]=4 60 B6R1.5 F[C@H]1C[C@H](C1)O ACF023003 [0,0,0,1,0,0|1,0,2]=4 61 B3R0.1 BrCCBr ACS015665 [2,0,0,0,0,0|2,0,0]=4 62 B3R0.1 BrCCO ACS012288 [2,0,0,0,0,0|1,0,1]=4 63 B3R0.1 C(C=C)Br ACS015635 [2,0,0,0,0,0|1,0,1]=4 64 B3R0.1 C(CC)#N ACS015759 [2,0,0,0,0,0|1,0,1]=4 65 B3R0.1 C(CS)S ACS011518 [2,0,0,0,0,0|1,1,0]=4 66 B3R0.1 COCCl ACS015654 [2,0,0,0,0,0|2,0,0]=4 67 B3R0.2 BrC(C)C ACS015643 [2,0,0,0,0,0|1,0,0]=3 68 B3R0.2 C(C)(=O)Cl ACS013367 [2,0,0,0,0,0|1,0,1]=4 69 B3R0.2 C(C)(=O)N ACS013872 [2,0,0,0,0,0|1,0,1]=4 70 B3R0.2 C(C)(=O)O ACS011399 [2,0,0,0,0,0|1,0,1]=4 71 B3R0.2 C(C)(=O)[O-] ACS010569 [2,0,0,0,0,0|1,0,1]=4 72 B3R0.2 C(C)(=O)[O-] ACS015708 [2,0,0,0,0,0|1,0,1]=4 73 B3R0.2 C(C)(=O)[O-] ACS024406 [2,0,0,0,0,0|1,0,1]=4 74 B3R0.2 C(C)(=O)[O-] ACS024421 [2,0,0,0,0,0|1,0,1]=4 75 B3R0.2 CP(C)=O ACS012210 [2,0,0,0,0,0|1,0,0]=3 76 B3R0.2 CS(=O)[O-] ACS017178 [2,0,0,0,0,0|2,0,0]=4 77 B3R0.2 [N+](=O)([O-])C ACS015727 [2,0,0,0,0,0|2,0,0]=4 78 B5R0.3 BrC(C=O)C=O ACS015637 [1,1,0,0,0,0|1,0,1]=4 79 B5R0.3 C([C@@H](CCl)O)O ACS010830 [1,1,0,0,0,0|1,0,1]=4 80 B5R0.3 C([C@@H](CO)O)N ACS010825 [1,1,0,0,0,0|1,0,1]=4 81 B5R0.3 C([C@H](CCl)O)O ACS010831 [1,1,0,0,0,0|1,0,1]=4 82 B5R0.3 NC(CO)CC ACS011654 [1,1,0,0,0,0|1,0,1]=4 83 B5R0.3 NCC(CN)O ACS012389 [1,1,0,0,0,0|2,0,0]=4 84 B5R0.3 NC[C@@H](CCl)O ACS020120 [1,1,0,0,0,0|2,0,0]=4 85 B5R0.3 NC[C@@H](CO)F ACF022187 [1,1,0,0,0,0|1,0,1]=4 86 B5R0.3 NC[C@H](CO)F ACF022188 [1,1,0,0,0,0|1,0,1]=4 87 B5R0.3 O=C[C@@H](O)CO ACS010919 [1,1,0,0,0,0|1,0,0]=3 88 B5R0.3 O=C[C@@H](O)CO ACS010920 [1,1,0,0,0,0|1,0,0]=3 89 B5R0.4 CC(C#N)(C)C ACS015757 [1,1,0,0,0,0|1,0,1]=4 90 B5R0.4 CC(C=O)(C)C ACS010245 [1,1,0,0,0,0|0,0,0]=2 91 B5R0.4 CC(CN)(C)N ACS020018 [1,1,0,0,0,0|1,0,0]=3 92 B5R0.4 ClC(C=O)(Cl)Cl ACS015756 [1,1,0,0,0,0|2,0,0]=4 93 B5R0.4 NCC(C)(S)C ACS017169 [1,1,0,0,0,0|1,0,0]=3 94 B5R0.5 C(C(=O)C)(=O)O ACS015732 [1,1,0,0,0,0|1,0,1]=4 95 B5R0.5 C(C(C)C)(=O)Cl ACS013410 [1,1,0,0,0,0|0,0,0]=2 96 B5R0.5 CC(C(=O)O)Cl ACS010833 [1,1,0,0,0,0|1,0,0]=3 97 B5R0.5 C[C@@H](C(=O)O)Br ACS011128 [1,1,0,0,0,0|1,0,0]=3 98 B5R0.5 ClC(C(=O)[O-])Cl ACS012157 [1,1,0,0,0,0|2,0,0]=4 99 B5R0.5 FC(C(=O)C)F ACF024170 [1,1,0,0,0,0|2,0,0]=4 100 B5R0.5 FC(C(=O)O)C ACF017008 [1,1,0,0,0,0|1,0,0]=3 101 B5R0.5 FC(C(=O)O)F ACF011499 [1,1,0,0,0,0|2,0,0]=4 102 B5R0.5 N[C@H](C)C(=O)O ACS011403 [1,1,0,0,0,0|1,0,0]=3 103 B5R0.2 BrCCCC#N ACS017125 [1,1,0,0,0,0|1,0,1]=4 104 B5R0.2 BrCCCCBr ACS015666 [1,1,0,0,0,0|1,0,1]=4 105 B5R0.2 BrCCCOC ACS011423 [1,1,0,0,0,0|1,0,1]=4 106 B5R0.2 CCCCCC ACS015704 [1,1,0,0,0,0|1,0,1]=4 107 B5R0.2 CNCCC#N ACS015717 [1,1,0,0,0,0|1,0,1]=4 108 B5R0.2 COCCOC ACS015683 [1,1,0,0,0,0|2,0,0]=4 109 B7R0.2 C(C(CN)O)C(=O)O ACS015779 [0,2,0,0,0,0|1,0,0]=3 110 B7R0.2 C(CC(=O)C)(=O)OC ACS015718 [0,2,0,0,0,0|1,0,1]=4 111 B7R0.2 COC(CC(=O)[O-])=O ACS015730 [0,2,0,0,0,0|1,0,1]=4 112 B7R0.2 NC[C@@H](CC(=O)O)O ACS010827 [0,2,0,0,0,0|1,0,0]=3 113 B7R0.3 COC(CCC=O)=O ACS024542 [0,2,0,0,0,0|1,0,1]=4 114 B7R0.5 CC(C(CC#N)=O)C ACS015725 [0,2,0,0,0,0|1,0,1]=4 115 B7R0.11 CC(C=O)(CC=C)C ACS024109 [0,2,0,0,0,0|1,0,0]=3 116 B7R0.9 C(C(C)C)S(=O)(=O)Cl ACS013333 [0,2,0,0,0,0|1,0,0]=3 117 B7R0.9 C(C)(=O)OC(C)(C)C ACS024598 [0,2,0,0,0,0|1,0,0]=3 118 B7R0.9 CC(CC(=O)Cl)(C)C ACS012390 [0,2,0,0,0,0|0,0,0]=2 119 B7R0.9 CN(C)CC(C)(C)O ACS015678 [0,2,0,0,0,0|2,0,0]=4 120 B7R0.9 FC(CC(=O)O)(F)F ACF024083 [0,2,0,0,0,0|2,0,0]=4 121 B7R0.16 CC(C)C(C(=O)O)N ACS024385 [0,2,0,0,0,0|0,0,0]=2 122 B7R0.16 NC(C(C)C)B(O)O ACS019376 [0,2,0,0,0,0|1,0,1]=4 123 B7R0.6 C(CCC(C)C)(=O)Cl ACS011947 [0,2,0,0,0,0|0,0,0]=2 124 B7R0.6 [N+](=O)(OCC(C)C)[O-] ACS017175 [0,2,0,0,0,0|1,0,0]=3 125 B5R1.2 FC1CNC1 ACF021018 [1,0,0,1,0,0|2,0,0]=4 126 B5R1.2 FC1CNC1 ACF021019 [1,0,0,1,0,0|2,0,0]=4 127 B5R1.3 BrCC1CC1 ACS016880 [1,0,0,1,0,0|1,0,0]=3 128 B5R1.3 C(#N)C1CC1 ACS015609 [1,0,0,1,0,0|1,0,1]=4 129 B5R1.3 C(Cl)C1CO1 ACS015346 [1,0,0,1,0,0|2,0,0]=4 130 B5R1.3 C1(CC1)CO ACS011265 [1,0,0,1,0,0|0,0,1]=3 131 B5R1.3 C1C(O1)CCl ACS010842 [1,0,0,1,0,0|2,0,0]=4 132 B5R1.3 C1[C@H](CC)O1 ACS011611 [1,0,0,1,0,0|1,0,1]=4 133 B5R1.4 FC1C(C1)N ACF021649 [1,0,0,1,0,0|2,0,0]=4 134 B5R1.4 F[C@@H]1[C@@H](C1)N ACF022634 [1,0,0,1,0,0|2,0,0]=4 135 B5R1.4 F[C@@H]1[C@H](C1)N ACF021650 [1,0,0,1,0,0|2,0,0]=4 136 B5R1.4 F[C@H]1[C@H](C1)N ACF021651 [1,0,0,1,0,0|2,0,0]=4 137 B5R1.5 CC1(CC1)O ACS023902 [1,0,0,1,0,0|1,0,1]=4 138 B5R1.5 CC1(OC1)C ACS015341 [1,0,0,1,0,0|0,0,1]=3 139 B5R1.1 N1CC=CC1 ACS024124 [1,0,0,1,0,0|2,0,0]=4 140 B5R1.1 N1CCCC1 ACS015392 [1,0,0,1,0,0|1,0,1]=4 141 B7R1.1 BrCC1CCCC1 ACS010449 [0,1,0,1,0,0|1,0,1]=4 142 B7R1.1 C1(CCCC1)CO ACS010445 [0,1,0,1,0,0|1,0,1]=4 143 B7R1.2 FC1CC(CC1)=O ACF022433 [0,1,0,1,0,0|1,0,0]=3 144 B7R1.3 CC1NCCCC1 ACS011067 [0,1,0,1,0,0|1,0,1]=4 145 B7R1.3 CC1NCCNC1 ACS017193 [0,1,0,1,0,0|1,0,1]=4 146 B7R1.3 C[C@@H]1CNCCO1 ACS011821 [0,1,0,1,0,0|1,0,1]=4 147 B7R1.3 C[C@@H]1NCCOC1 ACS011439 [0,1,0,1,0,0|0,0,2]=4 148 B7R1.3 C[C@@H]1NCCOC1 ACS011835 [0,1,0,1,0,0|0,0,2]=4 149 B7R1.3 C[C@H]1CNCCO1 ACS011820 [0,1,0,1,0,0|1,0,1]=4 150 B7R1.3 C[C@H]1NCCOC1 ACS011438 [0,1,0,1,0,0|0,0,2]=4 151 B7R1.3 C[C@H]1NCCOC1 ACS011837 [0,1,0,1,0,0|0,0,2]=4 152 B7R1.4 F[C@@H]1CNC[C@@H]1C ACF022236 [0,1,0,1,0,0|1,0,1]=4 153 B7R1.4 F[C@@H]1CNC[C@@H]1C ACF022237 [0,1,0,1,0,0|1,0,1]=4 154 B7R1.6 FCCC1CNC1 ACF023592 [0,1,0,1,0,0|1,0,1]=4 155 B7R1.10 FC1CC(C1)CN ACF022873 [0,1,0,1,0,0|1,0,1]=4 156 B7R1.10 NC[C@@H]1C[C@H](F)C1 ACF022874 [0,1,0,1,0,0|1,0,1]=4 157 B7R1.10 NC[C@H]1C[C@H](F)C1 ACF022875 [0,1,0,1,0,0|1,0,1]=4 158 B7R1.22 C1(CC1)C(CO)F ACF022312 [0,1,0,1,0,0|0,0,2]=4 159 B7R1.25 FCC1(CNC1)C ACF023586 [0,1,0,1,0,0|2,0,0]=4 160 B7R1.12 FC1C(C1)C(=O)O ACF021646 [0,1,0,1,0,0|1,0,0]=3 161 B7R1.12 F[C@H]1[C@@H](C1)C(=O)O ACF021647 [0,1,0,1,0,0|1,0,0]=3 162 B7R1.12 F[C@H]1[C@@H](C1)C(=O)O ACF021648 [0,1,0,1,0,0|1,0,0]=3 163 B7R1.12 F[C@H]1[C@H](C1)C(=O)O ACF012314 [0,1,0,1,0,0|1,0,0]=3 164 B7R1.16 FC1(CC(C1)=O)F ACF023002 [0,1,0,1,0,0|1,0,0]=3 165 B7R1.20 C1(CC1)CC(=O)O ACS016976 [0,1,0,1,0,0|0,0,0]=2 166 B7R1.14 F[C@@]1(CNCC1)C ACF023442 [0,1,0,1,0,0|1,0,1]=4 167 B7R1.14 F[C@@]1(CNCC1)C ACF023445 [0,1,0,1,0,0|1,0,1]=4 168 B7R1.14 F[C@]1(CNCC1)C ACF023443 [0,1,0,1,0,0|1,0,1]=4 169 B7R1.14 F[C@]1(CNCC1)C ACF023444 [0,1,0,1,0,0|1,0,1]=4