0 B7R0.3 CCCCC(O)CN A13447 [0,0,0,0,0,0|2,0,2]=4 1 B7R0.3 CCCC\C(N)=N/O H14021 [0,0,0,0,0,0|4,0,0]=4 2 B7R0.3 COC(=O)\C=C\CBr M1565 [0,0,0,0,0,0|3,0,1]=4 3 B6R0.1 C=CC(=O)CCC H17062 [1,0,0,0,0,0|0,0,2]=3 4 B6R0.1 CCCC(N)CO A18883 [1,0,0,0,0,0|2,0,1]=4 5 B6R0.1 CCC\C(N)=N/O H14022 [1,0,0,0,0,0|3,0,0]=4 6 B6R0.1 CCOC(=O)CN A14488 [1,0,0,0,0,0|1,0,0]=2 7 B6R0.1 CCO\C(C)=N/O H17707 [1,0,0,0,0,0|3,0,0]=4 8 B6R0.1 CNCC(=O)OC M5408 [1,0,0,0,0,0|2,0,0]=3 9 B6R0.1 [C-]#[N+]CC(=O)OC M14376 [1,0,0,0,0,0|2,0,1]=4 10 B6R0.4 NCCCC(=O)O A19243 [1,0,0,0,0,0|3,0,0]=4 11 B6R0.4 O=C(Cl)CCCCl C18875 [1,0,0,0,0,0|3,0,0]=4 12 B6R0.6 CCCCCCBr S19038 [1,0,0,0,0,0|2,0,1]=4 13 B6R0.6 ICCOCCI I12663 [1,0,0,0,0,0|2,0,1]=4 14 B8R0.1 CCOC(=O)\C=C\CBr E1566 [0,1,0,0,0,0|2,0,1]=4 15 B8R0.3 COC(=O)C(Br)CCBr M18995 [0,1,0,0,0,0|3,0,0]=4 16 B8R0.3 COC(=O)C(Br)CCBr M18995 [0,1,0,0,0,0|3,0,0]=4 17 B8R0.3 COC(=O)C(N)CCBr M13176 [0,1,0,0,0,0|3,0,0]=4 18 B8R0.3 COC(=O)[C@@H](N)CCBr M13187 [0,1,0,0,0,0|3,0,0]=4 19 B8R1.1 CCC1=NC(C)CN1 E1868 [0,0,0,1,0,0|2,0,0]=3 20 B8R1.1 O=C1C=C[C@H](CO)O1 H15822 [0,0,0,1,0,0|1,0,2]=4 21 B8R1.1 O=C1CC[C@@H](CBr)N1 B12676 [0,0,0,1,0,0|2,0,0]=3 22 B8R1.1 O=C1CC[C@@H](CO)N1 H12661 [0,0,0,1,0,0|2,0,0]=3 23 B8R1.1 O=C1CC[C@@H](CO)N1 H12661 [0,0,0,1,0,0|2,0,0]=3 24 B8R1.2 CCC1CCCCN1 E3360 [0,0,0,1,0,0|2,0,1]=4 25 B8R1.2 CCC1CNCCO1 E17046 [0,0,0,1,0,0|2,0,1]=4 26 B8R1.2 N#CC1=CCCCO1 D16193 [0,0,0,1,0,0|2,0,1]=4 27 B8R1.3 CN1CCC(=O)CC1 M3185 [0,0,0,1,0,0|2,0,0]=3 28 B8R1.3 C[C@H]1CC[C@H](N)CC1 M17931 [0,0,0,1,0,0|2,0,1]=4 29 B8R1.3 C[C@H]1CC[C@H](N)CC1 M6135 [0,0,0,1,0,0|2,0,1]=4 30 B8R1.3 O=C1CCC(O)CC1 H15821 [0,0,0,1,0,0|2,0,0]=3 31 B8R1.3 O=C1CC[C@H](O)CN1 H14910 [0,0,0,1,0,0|2,0,0]=3 32 B8R1.5 CC1CCCCC1N M11246 [0,0,0,1,0,0|2,0,1]=4 33 B8R1.5 CC1CNCCC1=O M11274 [0,0,0,1,0,0|2,0,0]=3 34 B8R1.5 CC1CNCCC1=O M19160 [0,0,0,1,0,0|2,0,0]=3 35 B8R1.5 CC1NCCNC1=O M17109 [0,0,0,1,0,0|2,0,0]=3 36 B8R1.5 N[C@H]1CCCNC1=O A18130 [0,0,0,1,0,0|2,0,0]=3 37 B8R1.38 COC(=O)C1CCN1 M19139 [0,0,0,1,0,0|3,0,0]=4 38 B8R1.50 CC1=C(O)COC1=O H15815 [0,0,0,1,0,0|1,0,2]=4 39 B8R1.52 CCC1(O)CCCC1 E11709 [0,0,0,1,0,0|1,0,2]=4 40 B8R1.52 CCC1(O)CCCC1 E11709 [0,0,0,1,0,0|1,0,2]=4 41 B5R0.1 CCCC(=O)O B18853 [2,0,0,0,0,0|1,0,0]=3 42 B5R0.1 CCC[C@H](C)O P4807 [2,0,0,0,0,0|0,0,2]=4 43 B5R0.1 CNCC(=O)O S18803 [2,0,0,0,0,0|2,0,0]=4 44 B5R0.3 COC(=O)CN G18901 [2,0,0,0,0,0|1,0,0]=3 45 B7R0.5 CCOC(=O)C(F)Br E1920 [1,1,0,0,0,0|1,0,0]=3 46 B7R0.5 CCOC(=O)C(F)F E5215 [1,1,0,0,0,0|1,0,0]=3 47 B7R0.7 COCC(=O)COC D12730 [1,1,0,0,0,0|1,0,0]=3 48 B7R0.7 [C-]#[N+]CC(=O)OCC E14341 [1,1,0,0,0,0|0,0,1]=3 49 B7R0.10 COC(=O)[C@@H](N)CS C7887 [1,1,0,0,0,0|2,0,0]=4 50 B7R0.4 CC(=O)CCCCCl C18888 [1,1,0,0,0,0|1,0,0]=3 51 B7R0.4 O=C(Cl)CCCCBr B9001 [1,1,0,0,0,0|2,0,0]=4 52 B7R0.6 CC(=O)CNC(C)=O O12675 [1,1,0,0,0,0|1,0,1]=4 53 B9R0.8 COC(=O)[C@@H](N)CCSC M5535 [0,2,0,0,0,0|2,0,0]=4 54 B9R0.34 CCOC(=O)C[C@@H](O)CBr B7205 [0,2,0,0,0,0|2,0,0]=4 55 B9R0.34 CCOC(=O)C[C@@H](O)CCl E6788 [0,2,0,0,0,0|2,0,0]=4 56 B9R0.34 CCOC(=O)C[C@H](O)CBr B7204 [0,2,0,0,0,0|2,0,0]=4 57 B9R0.34 CCOC(=O)C[C@H](O)CCl C6789 [0,2,0,0,0,0|2,0,0]=4 58 B9R0.23 COC(=O)[C@@H](N)CC(C)C L5534 [0,2,0,0,0,0|2,0,0]=4 59 B9R0.23 COC(=O)[C@H](N)CC(C)C H8262 [0,2,0,0,0,0|2,0,0]=4 60 B9R0.7 CC(C)COC(=O)[C@H](C)Cl I7659 [0,2,0,0,0,0|0,0,0]=2 61 B9R0.13 CCCCC(CC)C(=O)[O-] S7723 [0,2,0,0,0,0|1,0,1]=4 62 B7R1.1 CCC1CCCN1 E15991 [1,0,0,1,0,0|1,0,1]=4 63 B7R1.2 O=C1CCC(=O)C1 C13983 [1,0,0,1,0,0|1,0,1]=4 64 B7R1.2 O=C1C[C@@H](O)CO1 H7194 [1,0,0,1,0,0|2,0,0]=4 65 B7R1.2 O=C1C[C@H](O)CN1 H2610 [1,0,0,1,0,0|2,0,0]=4 66 B7R1.2 O=C1C[C@H](O)CN1 H2610 [1,0,0,1,0,0|2,0,0]=4 67 B7R1.2 O=C1C[C@H](O)CO1 H2611 [1,0,0,1,0,0|2,0,0]=4 68 B7R1.3 CN1CCCCC1 M3042 [1,0,0,1,0,0|2,0,0]=4 69 B7R1.3 NN1CCCCC1 A3686 [1,0,0,1,0,0|2,0,0]=4 70 B7R1.3 O=C1C=CCCC1 C17765 [1,0,0,1,0,0|0,0,2]=4 71 B7R1.3 O=C1CCNCC1 P3649 [1,0,0,1,0,0|1,0,0]=3 72 B7R1.3 O=C1CCNCC1 P7276 [1,0,0,1,0,0|1,0,0]=3 73 B7R1.3 O=C1CCOCC1 T11055 [1,0,0,1,0,0|1,0,0]=3 74 B7R1.3 O=C1CNCCN1 P12440 [1,0,0,1,0,0|2,0,0]=4 75 B7R1.4 C=C1CCOC1=O M11697 [1,0,0,1,0,0|0,0,2]=4 76 B7R1.4 CC1OCCC1=O M5424 [1,0,0,1,0,0|1,0,0]=3 77 B7R1.4 O=C1OCCC1Br B11067 [1,0,0,1,0,0|1,0,0]=3 78 B7R1.20 O=C(O)CC1CC1 C2235 [1,0,0,1,0,0|2,0,0]=4 79 B9R1.8 NCCC1=CCCCC1 C3468 [0,1,0,1,0,0|2,0,0]=4 80 B9R1.15 CCC1NCCNC1=O E15728 [0,1,0,1,0,0|2,0,0]=4 81 B9R1.27 CCC1=C(C)CNC1=O E5392 [0,1,0,1,0,0|1,0,1]=4 82 B9R1.27 CCC1C(=O)NCC1C E17699 [0,1,0,1,0,0|1,0,0]=3 83 B9R1.73 CCOC(=O)C1CNC1 A19137 [0,1,0,1,0,0|2,0,0]=4 84 B9R1.3 CC1C(=O)CCCC1=O D3659 [0,1,0,1,0,0|1,0,1]=4 85 B9R1.5 N[C@H]1CCCCNC1=O A0101 [0,1,0,1,0,0|1,0,0]=3 86 B9R1.11 COC(=O)[C@@H]1CCCN1 P7690 [0,1,0,1,0,0|2,0,0]=4 87 B9R1.11 COC(=O)[C@H]1CCCN1 P7691 [0,1,0,1,0,0|2,0,0]=4 88 B9R1.88 COC(=O)[C@H]1O[C@@H]1CO M6398 [0,1,0,1,0,0|2,0,0]=4 89 B9R1.101 COC(=O)[C@@H](N)C1CC1 A15419 [0,1,0,1,0,0|2,0,0]=4 90 B9R1.132 CCC1=C(O)C(=O)CC1 E13443 [0,1,0,1,0,0|1,0,1]=4 91 B9R1.186 COC(=O)C1(N)CCC1 A12907 [0,1,0,1,0,0|2,0,0]=4 92 B9R1.1 O=C1CO[C@@H](CO)CN1 H16874 [0,1,0,1,0,0|2,0,0]=4 93 B9R1.35 CC(C)[C@@H]1COC(=O)N1 I5890 [0,1,0,1,0,0|2,0,0]=4 94 B9R1.35 CC(C)[C@H]1COC(=O)N1 I2202 [0,1,0,1,0,0|2,0,0]=4 95 B9R1.40 CC1(C)NCCNC1=O D17034 [0,1,0,1,0,0|2,0,0]=4 96 B9R2.7 O=C1NC2CCCC12 A12948 [0,0,0,2,0,0|1,0,0]=3