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|3,0,0]=3 2 B7R0.3 COC(=O)\C=C\CBr M1565 [0,0,0,0,0,0|1,0,2]=3 3 B7R0.3 COCC\C(N)=N/O H13784 [0,0,0,0,0,0|4,0,0]=4 4 B7R0.3 N\C(CCCBr)=N\O B13671 [0,0,0,0,0,0|4,0,0]=4 5 B6R0.1 C=CC(=O)CCC H17062 [1,0,0,0,0,0|1,0,1]=3 6 B6R0.1 CCC\C(N)=N/O H14022 [1,0,0,0,0,0|3,0,0]=4 7 B6R0.1 CCOC(=O)CN A14488 [1,0,0,0,0,0|3,0,0]=4 8 B6R0.1 CNCC(=O)OC M5408 [1,0,0,0,0,0|1,0,0]=2 9 B6R0.1 [C-]#[N+]CC(=O)OC M14376 [1,0,0,0,0,0|1,0,1]=3 10 B6R0.4 CCCCB(O)O B0514 [1,0,0,0,0,0|1,0,1]=3 11 B6R0.4 CN(C)CCCN D2364 [1,0,0,0,0,0|3,0,0]=4 12 B6R0.4 COCCC(=N)N M13848 [1,0,0,0,0,0|3,0,0]=4 13 B6R0.4 NCCCC(=O)O A19243 [1,0,0,0,0,0|1,0,0]=2 14 B6R0.4 O=C(Cl)CCCCl C18875 [1,0,0,0,0,0|2,0,0]=3 15 B6R0.4 O=C([O-])CNCO S17161 [1,0,0,0,0,0|2,0,1]=4 16 B6R0.6 CCCCCCBr S19038 [1,0,0,0,0,0|2,0,1]=4 17 B8R0.1 CCOC(=O)\C=C\CBr E1566 [0,1,0,0,0,0|1,0,2]=4 18 B8R0.3 COC(=O)C(Br)CCBr M18995 [0,1,0,0,0,0|1,0,0]=2 19 B8R0.3 COC(=O)C(Br)CCBr M18995 [0,1,0,0,0,0|1,0,0]=2 20 B8R0.3 COC(=O)C(N)CCBr M13176 [0,1,0,0,0,0|1,0,0]=2 21 B8R0.3 COC(=O)[C@@H](N)CCBr M13187 [0,1,0,0,0,0|1,0,0]=2 22 B8R0.6 CCCCC\C(N)=N/O H14018 [0,1,0,0,0,0|3,0,0]=4 23 B8R1.1 CCC1=NC(C)CN1 E1868 [0,0,0,1,0,0|3,0,0]=4 24 B8R1.1 O=C1CC[C@@H](CBr)N1 B12676 [0,0,0,1,0,0|3,0,0]=4 25 B8R1.1 O=C1CC[C@@H](CO)N1 H12661 [0,0,0,1,0,0|3,0,0]=4 26 B8R1.1 O=C1CC[C@@H](CO)N1 H12661 [0,0,0,1,0,0|3,0,0]=4 27 B8R1.2 CCC1CCCCN1 E3360 [0,0,0,1,0,0|2,0,1]=4 28 B8R1.2 CNC1CCCCC1 M18798 [0,0,0,1,0,0|2,0,1]=4 29 B8R1.2 COC1CCCNC1 M14733 [0,0,0,1,0,0|2,0,1]=4 30 B8R1.3 CN1CCC(=O)CC1 M3185 [0,0,0,1,0,0|2,0,0]=3 31 B8R1.3 C[C@H]1CC[C@H](N)CC1 M17931 [0,0,0,1,0,0|2,0,1]=4 32 B8R1.3 C[C@H]1CC[C@H](N)CC1 M6135 [0,0,0,1,0,0|2,0,1]=4 33 B8R1.3 O=C1CCC(O)CC1 H15821 [0,0,0,1,0,0|2,0,0]=3 34 B8R1.3 O=C1CC[C@H](O)CN1 H14910 [0,0,0,1,0,0|2,0,0]=3 35 B8R1.5 CC1CCCCC1N M11246 [0,0,0,1,0,0|2,0,1]=4 36 B8R1.5 CC1CNCCC1=O M11274 [0,0,0,1,0,0|2,0,0]=3 37 B8R1.5 CC1CNCCC1=O M19160 [0,0,0,1,0,0|2,0,0]=3 38 B8R1.5 CC1NCCNC1=O M17109 [0,0,0,1,0,0|3,0,0]=4 39 B8R1.5 N[C@H]1CCCNC1=O A18130 [0,0,0,1,0,0|3,0,0]=4 40 B8R1.38 COC(=O)C1CCN1 M19139 [0,0,0,1,0,0|1,0,0]=2 41 B8R1.38 N\C(=N/O)C1CCC1 H13014 [0,0,0,1,0,0|3,0,0]=4 42 B8R1.52 CCC1(O)CCCC1 E11709 [0,0,0,1,0,0|1,0,2]=4 43 B8R1.52 CCC1(O)CCCC1 E11709 [0,0,0,1,0,0|1,0,2]=4 44 B5R0.1 CCCC(=O)O B18853 [2,0,0,0,0,0|0,0,0]=2 45 B5R0.1 CCC[C@H](C)O P4807 [2,0,0,0,0,0|0,0,2]=4 46 B5R0.1 CNCC(=O)O S18803 [2,0,0,0,0,0|1,0,0]=3 47 B5R0.2 CNCCCN M14932 [2,0,0,0,0,0|2,0,0]=4 48 B5R0.2 NCCCCO A18122 [2,0,0,0,0,0|1,0,1]=4 49 B5R0.2 OCCCCBr B18469 [2,0,0,0,0,0|1,0,1]=4 50 B5R0.3 COC(=O)CN G18901 [2,0,0,0,0,0|1,0,0]=3 51 B7R0.2 COC(=O)C[N+](=O)[O-] M18810 [1,1,0,0,0,0|2,0,0]=4 52 B7R0.2 COC(=O)\C=C(\C)N A18843 [1,1,0,0,0,0|0,0,2]=4 53 B7R0.7 COCC(=O)COC D12730 [1,1,0,0,0,0|1,0,0]=3 54 B7R0.7 [C-]#[N+]CC(=O)OCC E14341 [1,1,0,0,0,0|1,0,1]=4 55 B7R0.10 COC(=O)[C@@H](N)CS C7887 [1,1,0,0,0,0|1,0,0]=3 56 B7R0.4 C=CCNCC(=O)O A18405 [1,1,0,0,0,0|0,0,2]=4 57 B7R0.4 CC(=O)CCCCCl C18888 [1,1,0,0,0,0|0,0,0]=2 58 B7R0.4 CCCCCC(=N)N H14019 [1,1,0,0,0,0|2,0,0]=4 59 B7R0.4 CCOCCC(=N)N E14098 [1,1,0,0,0,0|2,0,0]=4 60 B7R0.4 N=C(N)CCCCCl C16515 [1,1,0,0,0,0|2,0,0]=4 61 B7R0.4 O=C(Cl)CCCCBr B9001 [1,1,0,0,0,0|1,0,0]=3 62 B7R0.6 C(NC(C)=O)C(=O)O A1250 [1,1,0,0,0,0|1,0,1]=4 63 B7R0.6 CC(=O)CNC(C)=O O12675 [1,1,0,0,0,0|1,0,1]=4 64 B7R0.6 C[C@H](O)CC[C@H](C)O H5146 [1,1,0,0,0,0|0,0,2]=4 65 B9R0.8 COC(=O)[C@@H](N)CCSC M5535 [0,2,0,0,0,0|0,0,0]=2 66 B9R0.34 CCOC(=O)C[C@@H](O)CBr B7205 [0,2,0,0,0,0|1,0,0]=3 67 B9R0.34 CCOC(=O)C[C@@H](O)CCl E6788 [0,2,0,0,0,0|1,0,0]=3 68 B9R0.34 CCOC(=O)C[C@H](O)CBr B7204 [0,2,0,0,0,0|1,0,0]=3 69 B9R0.34 CCOC(=O)C[C@H](O)CCl C6789 [0,2,0,0,0,0|1,0,0]=3 70 B9R0.23 CC(C)CC(=O)C(=O)O[Na] K12664 [0,2,0,0,0,0|1,0,1]=4 71 B9R0.23 COC(=O)[C@@H](N)CC(=O)O A6325 [0,2,0,0,0,0|1,0,1]=4 72 B9R0.23 COC(=O)[C@@H](N)CC(C)C L5534 [0,2,0,0,0,0|0,0,0]=2 73 B9R0.23 COC(=O)[C@H](N)CC(C)C H8262 [0,2,0,0,0,0|0,0,0]=2 74 B9R0.7 CC(C)COC(=O)[C@H](C)Cl I7659 [0,2,0,0,0,0|2,0,0]=4 75 B9R0.13 CCCCC(CC)C(=O)[O-] S7723 [0,2,0,0,0,0|1,0,1]=4 76 B9R0.42 COC(=O)C[C@H](N)C(=O)O A8339 [0,2,0,0,0,0|1,0,1]=4 77 B9R0.21 CC(C)(C)NCC(=O)O[Na] B12689 [0,2,0,0,0,0|2,0,0]=4 78 B9R0.26 C(C(=O)OC)=C(/CC)OC M12665 [0,2,0,0,0,0|0,0,2]=4 79 B7R1.2 O=C1C[C@@H](O)CO1 H7194 [1,0,0,1,0,0|1,0,0]=3 80 B7R1.2 O=C1C[C@H](O)CN1 H2610 [1,0,0,1,0,0|2,0,0]=4 81 B7R1.2 O=C1C[C@H](O)CN1 H2610 [1,0,0,1,0,0|2,0,0]=4 82 B7R1.2 O=C1C[C@H](O)CO1 H2611 [1,0,0,1,0,0|1,0,0]=3 83 B7R1.3 O=C1C=CCCC1 C17765 [1,0,0,1,0,0|1,0,1]=4 84 B7R1.3 O=C1CCNCC1 P3649 [1,0,0,1,0,0|2,0,0]=4 85 B7R1.3 O=C1CCNCC1 P7276 [1,0,0,1,0,0|2,0,0]=4 86 B7R1.3 O=C1CCOCC1 T11055 [1,0,0,1,0,0|2,0,0]=4 87 B7R1.3 O=C1CNCCN1 P12440 [1,0,0,1,0,0|2,0,0]=4 88 B7R1.4 CC1OCCC1=O M5424 [1,0,0,1,0,0|2,0,0]=4 89 B7R1.18 N=C(N)C1CCC1 C13015 [1,0,0,1,0,0|2,0,0]=4 90 B7R1.18 O=C(O)C1CCN1 A19377 [1,0,0,1,0,0|1,0,0]=3 91 B7R1.18 O=C(O)C1CNC1 A18761 [1,0,0,1,0,0|1,0,0]=3 92 B7R1.18 O=C(O)C1CNC1 A3585 [1,0,0,1,0,0|1,0,0]=3 93 B7R1.18 O=C(O)C1CNC1 A3585 [1,0,0,1,0,0|1,0,0]=3 94 B7R1.18 O=C(O)[C@@H]1CCN1 A17680 [1,0,0,1,0,0|1,0,0]=3 95 B7R1.18 O=C(O)[C@@H]1CCN1 A5102 [1,0,0,1,0,0|1,0,0]=3 96 B7R1.18 O=C(O)[C@@H]1CCN1 A5102 [1,0,0,1,0,0|1,0,0]=3 97 B7R1.18 O=C(O)[C@H]1CCN1 A7252 [1,0,0,1,0,0|1,0,0]=3 98 B7R1.20 O=C(O)CC1CC1 C2235 [1,0,0,1,0,0|0,0,0]=2 99 B9R1.8 NCCC1=CCCCC1 C3468 [0,1,0,1,0,0|2,0,0]=4 100 B9R1.27 CCC1C(=O)NCC1C E17699 [0,1,0,1,0,0|2,0,0]=4 101 B9R1.73 CCOC(=O)C1CNC1 A19137 [0,1,0,1,0,0|1,0,0]=3 102 B9R1.3 CC1C(=O)CCCC1=O D3659 [0,1,0,1,0,0|1,0,1]=4 103 B9R1.5 N[C@H]1CCCCNC1=O A0101 [0,1,0,1,0,0|1,0,0]=3 104 B9R1.11 COC(=O)C1CC=CC1 M13309 [0,1,0,1,0,0|0,0,1]=3 105 B9R1.11 COC(=O)[C@@H]1CCCN1 P7690 [0,1,0,1,0,0|0,0,0]=2 106 B9R1.11 COC(=O)[C@H]1CCCN1 P7691 [0,1,0,1,0,0|0,0,0]=2 107 B9R1.88 COC(=O)[C@H]1O[C@@H]1CO M6398 [0,1,0,1,0,0|1,0,0]=3 108 B9R1.101 COC(=O)[C@@H](N)C1CC1 A15419 [0,1,0,1,0,0|0,0,0]=2 109 B9R1.132 CCC1=C(O)C(=O)CC1 E13443 [0,1,0,1,0,0|2,0,0]=4 110 B9R1.186 COC(=O)C1(N)CCC1 A12907 [0,1,0,1,0,0|0,0,0]=2 111 B9R1.1 O=C1CO[C@@H](CO)CN1 H16874 [0,1,0,1,0,0|2,0,0]=4 112 B9R1.21 COC1CCC(OC)O1 D3309 [0,1,0,1,0,0|0,0,2]=4 113 B9R1.35 CC(C)[C@@H]1COC(=O)N1 I5890 [0,1,0,1,0,0|1,0,0]=3 114 B9R1.35 CC(C)[C@H]1COC(=O)N1 I2202 [0,1,0,1,0,0|1,0,0]=3 115 B9R2.7 O=C1NC2CCCC12 A12948 [0,0,0,2,0,0|1,0,0]=3