0 B7R0.1 BrCCCCCC#N ACS015641 [1,0,0,0,0,0|2,0,1]=4 1 B7R0.1 BrCCCCCCBr ACS010553 [1,0,0,0,0,0|2,0,0]=3 2 B7R0.1 C(CCCCC#C)O ACS011549 [1,0,0,0,0,0|0,0,2]=3 3 B7R0.4 BrCCCCC(=O)O ACS015645 [1,0,0,0,0,0|2,0,1]=4 4 B9R0.2 C(CCCCCCC)(=O)Cl ACS013416 [0,1,0,0,0,0|1,0,2]=4 5 B9R0.46 C(C(CCCCCC)O)O ACS024597 [0,1,0,0,0,0|0,0,0]=1 6 B9R0.47 N[C@@H](CCCCN)C(=O)O ACS011091 [0,1,0,0,0,0|2,0,1]=4 7 B9R0.48 C(C)OC(CCC(C)Cl)=O ACS024478 [0,1,0,0,0,0|2,0,1]=4 8 B9R1.6 C(C)(C)[C@H]1NCCOC1 ACS011999 [0,0,0,1,0,0|3,0,0]=4 9 B9R1.6 C1(CCCCC1)C(=O)O ACS011364 [0,0,0,1,0,0|1,0,1]=3 10 B9R1.6 C1CNCCC1C(F)F ACF022801 [0,0,0,1,0,0|3,0,0]=4 11 B9R1.6 CN(C1CCNCC1)C ACS023674 [0,0,0,1,0,0|3,0,0]=4 12 B9R1.6 C[NH+](C1CC[NH2+]CC1)C ACS023827 [0,0,0,1,0,0|3,0,0]=4 13 B9R1.6 FC(C1CCNCC1)F ACF019001 [0,0,0,1,0,0|3,0,0]=4 14 B9R1.6 N1CCC(CC1)C(=O)O ACS011068 [0,0,0,1,0,0|2,0,1]=4 15 B9R1.6 N1[C@@H](CCCC1)C(=O)O ACS010815 [0,0,0,1,0,0|2,0,1]=4 16 B9R1.7 FCCN1CC(CC1)N ACF021779 [0,0,0,1,0,0|3,0,0]=4 17 B9R1.7 FCCN1C[C@@H](CC1)N ACF021780 [0,0,0,1,0,0|3,0,0]=4 18 B9R1.7 FCCN1C[C@H](CC1)N ACF021781 [0,0,0,1,0,0|3,0,0]=4 19 B9R1.40 FC1(C(CNCC1)C)F ACF021314 [0,0,0,1,0,0|3,0,0]=4 20 B9R1.40 FC1(C(CNCC1)C)F ACF021315 [0,0,0,1,0,0|3,0,0]=4 21 B9R1.40 FC1(CNCCC1C)F ACF023019 [0,0,0,1,0,0|3,0,0]=4 22 B9R1.40 FC1([C@@H](CCCC1)N)F ACF022435 [0,0,0,1,0,0|3,0,0]=4 23 B9R1.40 FC1([C@H](CCCC1)N)F ACF022434 [0,0,0,1,0,0|3,0,0]=4 24 B9R1.40 FC1COCCC1(O)O ACF023605 [0,0,0,1,0,0|3,0,0]=4 25 B9R1.56 FC1(C(CC1)CNC)F ACF023535 [0,0,0,1,0,0|3,0,0]=4 26 B9R1.148 FC1(CCNCCC1)F ACF021027 [0,0,0,1,0,0|3,0,0]=4 27 B6R0.6 BrCCCCCBr ACS015667 [2,0,0,0,0,0|2,0,0]=4 28 B6R0.6 C(COCCO)O ACS015677 [2,0,0,0,0,0|2,0,0]=4 29 B8R0.1 BrC(CCC)CCCC ACS024467 [1,1,0,0,0,0|0,0,0]=2 30 B8R0.4 COCCOCCOC ACS015714 [1,1,0,0,0,0|2,0,0]=4 31 B8R0.6 C(C(CCCCO)O)O ACS015703 [1,1,0,0,0,0|1,0,0]=3 32 B8R0.5 O[C@@H](CC(=O)OCC)C ACS011594 [1,1,0,0,0,0|1,0,1]=4 33 B8R0.8 NC(CCCC)B(O)O ACS019378 [1,1,0,0,0,0|2,0,0]=4 34 B8R1.2 BrCC1CCCCC1 ACS010448 [1,0,0,1,0,0|1,0,0]=3 35 B8R1.2 C(C)N1CCNCC1 ACS011154 [1,0,0,1,0,0|2,0,0]=4 36 B8R1.2 C(C)[C@H]1NCCOC1 ACS011819 [1,0,0,1,0,0|2,0,0]=4 37 B8R1.2 C1(CCCCC1)C=O ACS010444 [1,0,0,1,0,0|0,0,2]=4 38 B8R1.2 C1(CCCCC1)CN ACS011969 [1,0,0,1,0,0|1,0,0]=3 39 B8R1.2 C1(CCCCC1)CO ACS010446 [1,0,0,1,0,0|0,0,0]=2 40 B8R1.2 C1(CCCCC1)NN ACS019314 [1,0,0,1,0,0|2,0,0]=4 41 B8R1.2 C1(CCCCC1)NN ACS019315 [1,0,0,1,0,0|2,0,0]=4 42 B8R1.2 CNC1CCOCC1 ACS017285 [1,0,0,1,0,0|2,0,0]=4 43 B8R1.2 FCC1CCNCC1 ACF022799 [1,0,0,1,0,0|2,0,0]=4 44 B8R1.2 FCC1CCNCC1 ACF022800 [1,0,0,1,0,0|2,0,0]=4 45 B8R1.2 FCC1NCCCC1 ACF021381 [1,0,0,1,0,0|2,0,0]=4 46 B8R1.2 FC[C@@H]1NCCCC1 ACF021383 [1,0,0,1,0,0|2,0,0]=4 47 B8R1.2 FC[C@H]1NCCCC1 ACF021382 [1,0,0,1,0,0|2,0,0]=4 48 B8R1.2 N1CCC(CC1)CO ACS015387 [1,0,0,1,0,0|1,0,0]=3 49 B8R1.5 FC1COCCC1O ACF021596 [1,0,0,1,0,0|2,0,0]=4 50 B8R1.5 F[C@@H]1CNCC[C@@H]1O ACF021203 [1,0,0,1,0,0|2,0,0]=4 51 B8R1.5 F[C@@H]1CNCC[C@@H]1O ACF021204 [1,0,0,1,0,0|2,0,0]=4 52 B8R1.5 F[C@@H]1CNCC[C@@H]1O ACF021344 [1,0,0,1,0,0|2,0,0]=4 53 B8R1.5 F[C@@H]1CNCC[C@H]1O ACF021201 [1,0,0,1,0,0|2,0,0]=4 54 B8R1.5 F[C@@H]1CNCC[C@H]1O ACF023411 [1,0,0,1,0,0|2,0,0]=4 55 B8R1.5 F[C@@H]1COCC[C@H]1O ACF021584 [1,0,0,1,0,0|2,0,0]=4 56 B8R1.5 F[C@@H]1[C@@H](CNCC1)O ACF021656 [1,0,0,1,0,0|2,0,0]=4 57 B8R1.5 F[C@H]1CNCC[C@@H]1O ACF021202 [1,0,0,1,0,0|2,0,0]=4 58 B8R1.5 F[C@H]1CNCC[C@H]1O ACF021345 [1,0,0,1,0,0|2,0,0]=4 59 B8R1.5 F[C@H]1[C@@H](CNCC1)O ACF021199 [1,0,0,1,0,0|2,0,0]=4 60 B8R1.5 F[C@H]1[C@@H](CNCC1)O ACF021200 [1,0,0,1,0,0|2,0,0]=4 61 B8R1.5 F[C@H]1[C@H](CNCC1)O ACF021655 [1,0,0,1,0,0|2,0,0]=4 62 B8R1.5 N[C@@H]1[C@@H](CCCC1)O ACS011637 [1,0,0,1,0,0|1,0,0]=3 63 B8R1.5 N[C@@H]1[C@H](CCCC1)O ACS011845 [1,0,0,1,0,0|1,0,0]=3 64 B8R1.11 C(C)[C@@H]1CNC[C@@H]1F ACF023448 [1,0,0,1,0,0|2,0,0]=4 65 B8R1.13 FC1C(CC1)CNC ACF023538 [1,0,0,1,0,0|2,0,0]=4 66 B8R1.22 C1CCNC[C@@H](C1)N ACS023752 [1,0,0,1,0,0|2,0,0]=4 67 B8R1.22 FC1CCNCCC1 ACF021025 [1,0,0,1,0,0|2,0,0]=4 68 B8R1.22 FC1CCNCCC1 ACF021026 [1,0,0,1,0,0|2,0,0]=4 69 B8R1.4 CC1NC(CNC1)C ACS017194 [1,0,0,1,0,0|2,0,0]=4 70 B8R1.4 FC1CC(NCC1)C ACF021430 [1,0,0,1,0,0|2,0,0]=4 71 B8R1.4 NC1CC(CCC1)O ACS011505 [1,0,0,1,0,0|1,0,0]=3 72 B8R1.31 FC1C(CC1)C(C)O ACF023533 [1,0,0,1,0,0|1,0,0]=3 73 B8R1.72 CC1(CCNCC1)O ACS020346 [1,0,0,1,0,0|1,0,0]=3 74 B10R1.13 F[C@@H]1CC[C@H](CC1)C(=O)O ACF023644 [0,1,0,1,0,0|1,0,1]=4 75 B10R1.13 F[C@H]1CC[C@H](CC1)C(=O)O ACF023645 [0,1,0,1,0,0|1,0,1]=4 76 B10R1.171 FC1(CC(CCC1)CO)F ACF023643 [0,1,0,1,0,0|2,0,0]=4 77 B10R1.10 FCCN1CC(CCC1)N ACF021790 [0,1,0,1,0,0|2,0,0]=4 78 B10R1.61 CN1C(CCCC1)C(=O)O ACS011094 [0,1,0,1,0,0|1,0,1]=4 79 B10R1.95 FC1(CC(CC1)CCO)F ACF021402 [0,1,0,1,0,0|2,0,0]=4 80 B10R1.1 FCCN1CCC(CC1)O ACF022287 [0,1,0,1,0,0|2,0,0]=4 81 B10R1.23 C[C@@H](C(=O)N1CCCC1)O ACS015344 [0,1,0,1,0,0|1,0,1]=4 82 B10R2.62 N12C[C@@H](C(CC1)CC2)N ACS019866 [0,0,0,2,0,0|2,0,0]=4 83 B10R2.71 FC1C[C@@H]2CC[C@@H](C1)N2 ACF021022 [0,0,0,2,0,0|2,0,0]=4 84 B10R2.71 F[C@H]1C[C@@H]2CC[C@H](C1)N2 ACF021023 [0,0,0,2,0,0|2,0,0]=4