0 B7R1.2 CC1=CN=C(Br)O1 F20659 [0,0,0,0,0,0|3,0,1]=4 1 B7R1.2 C[C@H]1CC(=O)CN1 AT25616 [0,0,0,0,0,0|3,0,1]=4 2 B7R1.2 C[C@H]1CC(=O)CN1 AT25617 [0,0,0,0,0,0|3,0,1]=4 3 B7R1.2 C[C@H]1CC(=O)CN1 AT25618 [0,0,0,0,0,0|3,0,1]=4 4 B7R1.2 C[C@H]1CC(=O)CN1 C92326 [0,0,0,0,0,0|3,0,1]=4 5 B7R1.2 C[C@H]1CC(=O)CN1 C92327 [0,0,0,0,0,0|3,0,1]=4 6 B7R1.2 NC1=NC=C(Br)O1 D76175 [0,0,0,0,0,0|3,0,1]=4 7 B7R1.2 N[C@@H]1CNC(=O)C1 D72849 [0,0,0,0,0,0|3,0,1]=4 8 B7R1.2 O=C1CSC(=O)C1 AT24293 [0,0,0,0,0,0|2,0,0]=2 9 B6R1.2 BrC1=CN=CO1 AT11056 [1,0,0,0,0,0|2,0,1]=4 10 B6R1.2 CC1=NNCC1 D76466 [1,0,0,0,0,0|3,0,0]=4 11 B6R1.2 O=C1C=COC1 D75288 [1,0,0,0,0,0|2,0,0]=3 12 B6R1.2 O=C1NC=CO1 C74434 [1,0,0,0,0,0|1,0,1]=3 13 B6R1.2 SC1=NN=CO1 AT18825 [1,0,0,0,0,0|2,1,0]=4 14 B8R1.1 N#C[C@@H]1CCC(=O)N1 D72817 [0,1,0,0,0,0|2,0,1]=4 15 B8R1.1 NCC1=NNC(=O)O1 AT18775 [0,1,0,0,0,0|3,0,0]=4 16 B8R1.1 NC[C@H]1CNC(=O)O1 P14474 [0,1,0,0,0,0|2,0,1]=4 17 B8R1.1 O=C1CC[C@H](CBr)N1 W15281 [0,1,0,0,0,0|2,0,1]=4 18 B8R1.1 O=C1CC[C@H](CCl)C1 AT22684 [0,1,0,0,0,0|2,0,1]=4 19 B8R1.1 O=C1CC[C@H](CI)C1 AT22686 [0,1,0,0,0,0|2,0,1]=4 20 B8R1.18 CN1CC(=O)NC1=S D73591 [0,1,0,0,0,0|2,1,0]=4 21 B8R1.18 C[C@@H]1C[C@H](O)C(=O)N1 AT26252 [0,1,0,0,0,0|2,0,1]=4 22 B8R1.18 C[C@@H]1NC(=O)CC1=O D72747 [0,1,0,0,0,0|2,0,0]=3 23 B8R1.18 C[C@@H]1NC(=O)C[C@@H]1O C90246 [0,1,0,0,0,0|2,0,1]=4 24 B8R1.18 C[C@@H]1NC(=S)NC1=O D73770 [0,1,0,0,0,0|2,1,0]=4 25 B8R1.18 NN1[13CH2]C(=O)NC1=O 41473 [0,1,0,0,0,0|2,0,0]=3 26 B8R1.18 N[C@H]1CC(=O)NC1=O AT18961 [0,1,0,0,0,0|1,0,0]=2 27 B8R1.18 N[C@H]1CC(=O)NC1=O AT18962 [0,1,0,0,0,0|1,0,0]=2 28 B8R1.18 N[C@H]1CC(=O)NC1=O AT18963 [0,1,0,0,0,0|1,0,0]=2 29 B8R1.18 N[C@H]1CC(=O)OC1=O AT25837 [0,1,0,0,0,0|0,0,0]=1 30 B8R1.50 CN1CCC(=O)C1=O C77472 [0,1,0,0,0,0|3,0,0]=4 31 B8R1.51 O=C1CCC(F)(F)C1 C90742 [0,1,0,0,0,0|2,0,1]=4 32 B6R0.4 CC(=O)CCCN C77428 [0,0,1,0,0,0|2,0,1]=4 33 B8R2.18 O=C1CC2OC2C1 60055 [0,0,0,1,0,0|1,0,2]=4 34 B8R2.38 O=C1CC[C@@H]2C[C@H]12 E73217 [0,0,0,1,0,0|2,0,1]=4 35 B6R1.4 NN1CCC1=O 33382 [0,0,0,0,1,0|2,0,0]=3 36 B6R1.4 N[C@H]1CCC1=O AT24523 [0,0,0,0,1,0|1,0,1]=3 37 B6R1.4 N[C@H]1CNC1=O P16451 [0,0,0,0,1,0|2,0,1]=4 38 B6R1.4 N[C@H]1CNC1=O P18336 [0,0,0,0,1,0|2,0,1]=4 39 B6R1.4 O=C1CC[C@@H]1O 94997 [0,0,0,0,1,0|0,0,2]=3 40 B6R1.4 O=C1NC[C@@H]1O D77141 [0,0,0,0,1,0|1,0,2]=4 41 B6R1.5 O=C1C[C@H](F)N1 D72810 [0,0,0,0,1,0|2,0,1]=4 42 B8R1.3 CN1C=CC(=O)CC1 D73438 [0,0,0,0,0,1|3,0,0]=4 43 B8R1.3 O=C1CC[C@H](O)CO1 AT23772 [0,0,0,0,0,1|0,0,2]=3 44 B8R1.3 O=C1CC[C@H](O)CO1 AT23773 [0,0,0,0,0,1|0,0,2]=3 45 B8R1.4 C[C@H]1CC(=O)CCO1 P11762 [0,0,0,0,0,1|2,0,1]=4 46 B5R0.2 CCOCC=O AT18655 [1,0,1,0,0,0|2,0,0]=4 47 B5R0.2 O=CCCCBr AT24507 [1,0,1,0,0,0|1,0,1]=4 48 B7R0.4 CCCCC[13C](=O)O 41454 [0,1,1,0,0,0|1,0,1]=4 49 B7R0.4 O=C(O)COCCBr C70239 [0,1,1,0,0,0|1,0,1]=4 50 B7R0.4 O=C(O)COCCF AT25496 [0,1,1,0,0,0|1,0,1]=4 51 B7R0.6 C[C@H](N)CCC(=O)O D75535 [0,1,1,0,0,0|1,0,1]=4 52 B7R0.6 O=C(O)CCB(O)O E72861 [0,1,1,0,0,0|1,0,1]=4 53 B7R0.6 O=C(O)CCC(F)F P19183 [0,1,1,0,0,0|1,0,1]=4 54 B7R1.1 O=C[C@@H]1CCCO1 98506 [1,1,0,0,0,0|0,0,2]=4 55 B7R1.1 O=C[C@@H]1CCCO1 98507 [1,1,0,0,0,0|0,0,2]=4 56 B7R1.4 C[C@@H]1NCCC1=O AT25613 [1,1,0,0,0,0|2,0,0]=4 57 B7R1.4 C[C@H]1CCNC1=O D72756 [1,1,0,0,0,0|1,0,1]=4 58 B7R1.4 C[C@H]1CONC1=O D73580 [1,1,0,0,0,0|2,0,0]=4 59 B7R1.4 O=C1CCNC1=O AT24684 [1,1,0,0,0,0|2,0,0]=4 60 B7R1.14 O=S1(=O)CCC=N1 38085 [1,1,0,0,0,0|2,0,0]=4 61 B7R1.17 CC1(C)CCC1=O P17178 [0,1,0,0,1,0|1,0,1]=4 62 B7R1.10 O=C1C[C@H](CBr)O1 AC5920 [0,1,0,0,1,0|1,0,1]=4 63 B7R1.16 O=C1CS(=O)(=O)C1 D75198 [0,1,0,0,1,0|2,0,0]=4 64 B9R1.69 C=C1NC(=O)CNC1=O D72755 [0,1,0,0,0,1|2,0,0]=4 65 B9R1.69 C[C@@H]1NC(=O)CNC1=O D72765 [0,1,0,0,0,1|2,0,0]=4 66 B9R1.69 O=C1CNC(=O)[C@H](Br)N1 D72770 [0,1,0,0,0,1|2,0,0]=4 67 B9R1.34 CC1=C[C@@H](C)CC(=O)C1 AC6518 [0,1,0,0,0,1|2,0,0]=4 68 B9R1.34 O=C1CC(=O)CC(O)C1 57817 [0,1,0,0,0,1|1,0,0]=3 69 B9R1.22 CC[C@@H]1NC(=O)CC1=O D72818 [0,2,0,0,0,0|2,0,0]=4 70 B9R1.22 O=C1C=C(CBr)C(=O)O1 A11302 [0,2,0,0,0,0|0,0,2]=4 71 B9R1.22 O=C1C[C@H](O)[C@@H](CO)O1 81440 [0,2,0,0,0,0|0,0,2]=4 72 B9R1.22 O=C1NC(=O)[C@H](CO)N1 D86066 [0,2,0,0,0,0|2,0,0]=4 73 B9R1.35 CC(=O)[C@H]1CCC(=O)C1 F53422 [0,2,0,0,0,0|1,0,1]=4 74 B9R1.35 CC(=O)[C@H]1CCC(=O)C1 F53666 [0,2,0,0,0,0|1,0,1]=4 75 B9R1.35 O=C1CC[C@@H](C(=O)Cl)O1 AT19707 [0,2,0,0,0,0|0,0,1]=3 76 B9R1.35 O=C1CC[C@@H](C(=O)Cl)O1 AT19708 [0,2,0,0,0,0|0,0,1]=3 77 B9R1.35 O=C1CC[C@@H](C(=O)Cl)O1 AT19709 [0,2,0,0,0,0|0,0,1]=3 78 B9R1.35 O=C1NC[C@@H](C(=O)O)O1 AT13973 [0,2,0,0,0,0|1,0,1]=4 79 B9R1.37 O=C1NC(=O)C(Br)C1Br E70154 [0,2,0,0,0,0|1,0,0]=3 80 B9R1.38 CC1(C)SC(=O)NC1=O D73418 [0,2,0,0,0,0|2,0,0]=4 81 B9R1.38 O=C1CC(F)(F)C(=O)O1 AT12560 [0,2,0,0,0,0|0,0,0]=2 82 B5R0.5 CC(=O)[C@H](C)N 91521 [0,0,1,0,1,0|1,0,1]=4