0 B5R0.2 BrCCCC#N ACS017125 [0,0,0,0,0,0|4,0,0]=4 1 B5R0.2 BrCCCCBr ACS015666 [0,0,0,0,0,0|4,0,0]=4 2 B5R0.2 BrCCCOC ACS011423 [0,0,0,0,0,0|2,1,0]=3 3 B5R0.2 CCCCCC ACS015704 [0,0,0,0,0,0|2,0,0]=2 4 B5R0.2 CNCCC#N ACS015717 [0,0,0,0,0,0|3,0,1]=4 5 B5R0.2 COCCOC ACS015683 [0,0,0,0,0,0|2,1,0]=3 6 B4R0.2 BrCCCCl ACS015639 [1,0,0,0,0,0|3,0,0]=4 7 B4R0.2 C(=C)OCC ACS015700 [1,0,0,0,0,0|1,1,1]=4 8 B4R0.2 C(=O)OCC ACS015696 [1,0,0,0,0,0|2,1,0]=4 9 B4R0.2 C(CCC)=O ACS015647 [1,0,0,0,0,0|1,1,0]=3 10 B4R0.2 C(CCC)O ACS015648 [1,0,0,0,0,0|1,1,0]=3 11 B4R0.2 CCOCC ACF015760 [1,0,0,0,0,0|1,1,0]=3 12 B4R0.2 CNCC#C ACS015721 [1,0,0,0,0,0|1,0,2]=4 13 B4R0.2 COCC#N ACS013800 [1,0,0,0,0,0|1,1,1]=4 14 B4R0.2 FCCCO ACF017205 [1,0,0,0,0,0|2,1,0]=4 15 B6R0.1 F[C@H](CN)COC ACF022189 [0,1,0,0,0,0|2,1,0]=4 16 B6R0.4 C(C)(C)NCCN ACS011159 [0,1,0,0,0,0|3,0,0]=4 17 B6R0.6 BrCCCCCBr ACS015667 [0,1,0,0,0,0|3,0,0]=4 18 B6R0.6 C(=C)OCCCN ACS015636 [0,1,0,0,0,0|1,1,1]=4 19 B6R0.6 C(COCCO)O ACS015677 [0,1,0,0,0,0|2,1,0]=4 20 B6R0.6 ClCCOCCCl ACS015653 [0,1,0,0,0,0|2,1,0]=4 21 B6R1.1 C1CCCCC1 ACS015629 [0,0,0,1,0,0|2,0,0]=3 22 B6R1.1 N1CCCCC1 ACS015386 [0,0,0,1,0,0|2,0,0]=3 23 B6R1.1 N1CCNCC1 ACS015385 [0,0,0,1,0,0|3,0,0]=4 24 B6R1.1 N1CCOCC1 ACS011668 [0,0,0,1,0,0|2,1,0]=4 25 B6R1.1 N1CCSCC1 ACS011722 [0,0,0,1,0,0|2,0,0]=3 26 B6R1.1 O1CCCC=C1 ACS011241 [0,0,0,1,0,0|1,1,1]=4 27 B6R1.2 BrC1CCCC1 ACS015617 [0,0,0,1,0,0|3,0,0]=4 28 B6R1.2 BrC1COCC1 ACS019129 [0,0,0,1,0,0|2,1,0]=4 29 B6R1.2 C1(CCCC1)=O ACS012220 [0,0,0,1,0,0|3,0,0]=4 30 B6R1.2 C1COC[C@@H]1O ACS010999 [0,0,0,1,0,0|2,1,0]=4 31 B6R1.2 CC1CCCO1 ACS011384 [0,0,0,1,0,0|1,1,0]=3 32 B6R1.2 F[C@@H]1CNCC1 ACF021035 [0,0,0,1,0,0|3,0,0]=4 33 B6R1.2 F[C@@H]1CNCC1 ACF021036 [0,0,0,1,0,0|3,0,0]=4 34 B6R1.2 F[C@H]1CNCC1 ACF021037 [0,0,0,1,0,0|3,0,0]=4 35 B6R1.2 F[C@H]1CNCC1 ACF021038 [0,0,0,1,0,0|3,0,0]=4 36 B6R1.2 NC1NCCC1 ACS015261 [0,0,0,1,0,0|3,0,0]=4 37 B6R1.2 O1C[C@@H](CC1)N ACS011703 [0,0,0,1,0,0|2,1,0]=4 38 B6R1.2 O1C[C@@H](CC1)N ACS020283 [0,0,0,1,0,0|2,1,0]=4 39 B6R1.2 O1C[C@H](CC1)N ACS011673 [0,0,0,1,0,0|2,1,0]=4 40 B6R1.2 O[C@@H]1CNCC1 ACS024239 [0,0,0,1,0,0|3,0,0]=4 41 B6R1.2 S1C(NCC1)=O ACS011643 [0,0,0,1,0,0|3,0,0]=4 42 B6R1.2 S1CC(CC1)=O ACS010816 [0,0,0,1,0,0|2,0,1]=4 43 B6R1.3 C1(CC1)CC#N ACS016977 [0,0,0,1,0,0|3,0,0]=4 44 B6R1.3 C1(CC1)CCO ACS016870 [0,0,0,1,0,0|3,0,0]=4 45 B6R1.3 ICCC1CC1 ACS016871 [0,0,0,1,0,0|3,0,0]=4 46 B6R1.4 FC1C(NC1)C ACF022170 [0,0,0,1,0,0|3,0,0]=4 47 B6R1.6 C1(CCC1)CBr ACS012071 [0,0,0,1,0,0|3,0,0]=4 48 B6R1.6 C1(CCC1)CO ACS023762 [0,0,0,1,0,0|3,0,0]=4 49 B6R1.6 FCC1CNC1 ACF021868 [0,0,0,1,0,0|3,0,0]=4 50 B6R1.6 FCC1CNC1 ACF021869 [0,0,0,1,0,0|3,0,0]=4 51 B6R1.6 FCC1NCC1 ACF022253 [0,0,0,1,0,0|3,0,0]=4 52 B6R1.6 FC[C@@H]1NCC1 ACF022255 [0,0,0,1,0,0|3,0,0]=4 53 B6R1.6 FC[C@H]1NCC1 ACF022254 [0,0,0,1,0,0|3,0,0]=4 54 B3R0.1 BrCCBr ACS015665 [2,0,0,0,0,0|2,0,0]=4 55 B3R0.1 BrCCO ACS012288 [2,0,0,0,0,0|1,1,0]=4 56 B3R0.1 C(CC)#N ACS015759 [2,0,0,0,0,0|1,0,1]=4 57 B3R0.1 C(CS)S ACS011518 [2,0,0,0,0,0|1,0,0]=3 58 B3R0.1 CNOC ACS012143 [2,0,0,0,0,0|1,1,0]=4 59 B3R0.1 COCCl ACS015654 [2,0,0,0,0,0|1,1,0]=4 60 B5R0.1 C(C)(C)SC#N ACS015768 [1,1,0,0,0,0|2,0,0]=4 61 B5R0.1 CC(CC=O)C ACS015719 [1,1,0,0,0,0|1,1,0]=4 62 B5R0.3 NC(CO)CC ACS011654 [1,1,0,0,0,0|1,1,0]=4 63 B7R0.4 CC(C=CCCC)=O ACS011915 [0,2,0,0,0,0|2,0,0]=4 64 B7R0.1 BrCCCCCCBr ACS010553 [0,2,0,0,0,0|2,0,0]=4 65 B5R1.1 N1CCCC1 ACS015392 [1,0,0,1,0,0|1,0,0]=3 66 B5R1.2 C1(CCC1)=O ACS011189 [1,0,0,1,0,0|1,1,0]=4 67 B5R1.2 FC1CNC1 ACF021018 [1,0,0,1,0,0|2,0,0]=4 68 B5R1.2 FC1CNC1 ACF021019 [1,0,0,1,0,0|2,0,0]=4 69 B5R1.3 BrCC1CC1 ACS016880 [1,0,0,1,0,0|2,0,0]=4 70 B5R1.3 C(#N)C1CC1 ACS015609 [1,0,0,1,0,0|2,0,0]=4 71 B5R1.3 C(Cl)C1CO1 ACS015346 [1,0,0,1,0,0|1,1,0]=4 72 B5R1.3 C1(CC1)CO ACS011265 [1,0,0,1,0,0|1,1,0]=4 73 B5R1.3 C1C(O1)CCl ACS010842 [1,0,0,1,0,0|1,1,0]=4 74 B5R1.3 C1[C@H](CC)O1 ACS011611 [1,0,0,1,0,0|0,1,0]=3 75 B7R1.1 BrCC1CCCC1 ACS010449 [0,1,0,1,0,0|2,0,0]=4 76 B7R1.1 C(C1CCCO1)O ACS011003 [0,1,0,1,0,0|1,1,0]=4 77 B7R1.1 C1(CCCC1)CO ACS010445 [0,1,0,1,0,0|2,0,0]=4 78 B7R1.1 C1C[C@@H](NC1)CO ACS010976 [0,1,0,1,0,0|2,0,0]=4 79 B7R1.1 COC1NCCC1 ACS015365 [0,1,0,1,0,0|1,1,0]=4 80 B7R1.1 FCC1NCCC1 ACF021659 [0,1,0,1,0,0|2,0,0]=4 81 B7R1.1 FC[C@@H]1NCCC1 ACF021195 [0,1,0,1,0,0|2,0,0]=4 82 B7R1.1 FC[C@@H]1NCCC1 ACF021196 [0,1,0,1,0,0|2,0,0]=4 83 B7R1.1 FC[C@H]1NCCC1 ACF021193 [0,1,0,1,0,0|2,0,0]=4 84 B7R1.1 FC[C@H]1NCCC1 ACF021194 [0,1,0,1,0,0|2,0,0]=4 85 B7R1.2 CN1CC(CC1)O ACS024240 [0,1,0,1,0,0|2,0,0]=4 86 B7R1.2 CN1C[C@@H](CC1)O ACS011600 [0,1,0,1,0,0|2,0,0]=4 87 B7R1.3 BrC1CCNCC1 ACS011194 [0,1,0,1,0,0|2,0,0]=4 88 B7R1.3 C1(CCCCO1)=O ACS011950 [0,1,0,1,0,0|1,1,0]=4 89 B7R1.3 CC1NCCCC1 ACS011067 [0,1,0,1,0,0|2,0,0]=4 90 B7R1.3 CC1NCCNC1 ACS017193 [0,1,0,1,0,0|2,0,0]=4 91 B7R1.3 CN1CCNCC1 ACS011153 [0,1,0,1,0,0|2,0,0]=4 92 B7R1.3 C[C@@H]1CNCCO1 ACS011821 [0,1,0,1,0,0|1,1,0]=4 93 B7R1.3 C[C@@H]1NCCOC1 ACS011439 [0,1,0,1,0,0|1,1,0]=4 94 B7R1.3 C[C@@H]1NCCOC1 ACS011835 [0,1,0,1,0,0|1,1,0]=4 95 B7R1.3 C[C@H]1CNCCO1 ACS011820 [0,1,0,1,0,0|1,1,0]=4 96 B7R1.3 C[C@H]1NCCOC1 ACS011438 [0,1,0,1,0,0|1,1,0]=4 97 B7R1.3 C[C@H]1NCCOC1 ACS011837 [0,1,0,1,0,0|1,1,0]=4 98 B7R1.3 FC1CCNCC1 ACF021024 [0,1,0,1,0,0|2,0,0]=4 99 B7R1.3 FC1CNCCC1 ACF021031 [0,1,0,1,0,0|2,0,0]=4 100 B7R1.3 F[C@@H]1CNCCC1 ACF021039 [0,1,0,1,0,0|2,0,0]=4 101 B7R1.3 F[C@H]1CNCCC1 ACF021040 [0,1,0,1,0,0|2,0,0]=4 102 B7R1.3 N[C@@H]1CNCCC1 ACS011446 [0,1,0,1,0,0|2,0,0]=4 103 B7R1.3 N[C@H]1CNCCC1 ACS010429 [0,1,0,1,0,0|2,0,0]=4 104 B7R1.3 O1CCC(CC1)N ACS011243 [0,1,0,1,0,0|1,1,0]=4 105 B7R1.3 OC1CCNCC1 ACS010966 [0,1,0,1,0,0|2,0,0]=4 106 B7R1.3 O[C@H]1CNCCC1 ACS011433 [0,1,0,1,0,0|2,0,0]=4 107 B7R1.3 S1CCC(CC1)=O ACS024121 [0,1,0,1,0,0|1,0,1]=4 108 B7R1.4 CN1C(CCC1)=O ACS015379 [0,1,0,1,0,0|2,0,0]=4 109 B7R1.4 F[C@@H]1CNC[C@@H]1C ACF022236 [0,1,0,1,0,0|2,0,0]=4 110 B7R1.4 F[C@@H]1CNC[C@@H]1C ACF022237 [0,1,0,1,0,0|2,0,0]=4 111 B7R1.6 FCCC1CNC1 ACF023592 [0,1,0,1,0,0|2,0,0]=4 112 B7R1.6 N1(CCC1)CCO ACS020758 [0,1,0,1,0,0|2,0,0]=4 113 B7R1.22 C1(CC1)C(=O)OC ACS015615 [0,1,0,1,0,0|1,1,0]=4 114 B7R1.14 F[C@@]1(CNCC1)C ACF023442 [0,1,0,1,0,0|2,0,0]=4 115 B7R1.14 F[C@@]1(CNCC1)C ACF023445 [0,1,0,1,0,0|2,0,0]=4 116 B7R1.14 F[C@]1(CNCC1)C ACF023443 [0,1,0,1,0,0|2,0,0]=4 117 B7R1.14 F[C@]1(CNCC1)C ACF023444 [0,1,0,1,0,0|2,0,0]=4 118 B7R1.18 FC(C)C1CNC1 ACF023601 [0,1,0,1,0,0|2,0,0]=4 119 B7R1.24 C1CNCCOC1 ACS024038 [0,1,0,1,0,0|1,1,0]=4 120 B7R1.24 N1CCOCCC1 ACS023784 [0,1,0,1,0,0|1,1,0]=4