0 B6R0.1 C=CC(=O)CCC H17062 [0,0,0,0,0,0|1,0,2]=3 1 B6R0.1 CCCC(N)CO A18883 [0,0,0,0,0,0|3,0,1]=4 2 B6R0.1 CCC\C(N)=N/O H14022 [0,0,0,0,0,0|4,0,0]=4 3 B6R0.1 CCOC(=O)CN A14488 [0,0,0,0,0,0|1,0,0]=1 4 B6R0.1 CCO\C(C)=N/O H17707 [0,0,0,0,0,0|3,0,0]=3 5 B6R0.1 CNCC(=O)OC M5408 [0,0,0,0,0,0|3,0,0]=3 6 B6R0.1 [C-]#[N+]CC(=O)OC M14376 [0,0,0,0,0,0|3,0,1]=4 7 B5R0.1 CCCC(=O)O B18853 [1,0,0,0,0,0|2,0,0]=3 8 B5R0.1 CCC[C@H](C)O P4807 [1,0,0,0,0,0|1,0,2]=4 9 B5R0.1 CNCC(=O)O S18803 [1,0,0,0,0,0|3,0,0]=4 10 B5R0.1 C\C(I)=C\CI D16723 [1,0,0,0,0,0|3,0,0]=4 11 B5R0.3 C=C(CCl)CCl C19303 [1,0,0,0,0,0|3,0,0]=4 12 B5R0.3 COC(=O)CN G18901 [1,0,0,0,0,0|1,0,0]=2 13 B7R0.2 COC(=O)\C=C(\C)N A18843 [0,1,0,0,0,0|2,0,1]=4 14 B7R0.2 NCC(=O)O[AlH3](O)O A1184 [0,1,0,0,0,0|3,0,0]=4 15 B7R0.2 NCC(=O)O[AlH3](O)O A1184 [0,1,0,0,0,0|3,0,0]=4 16 B7R0.3 CCOCC(O)CN A15120 [0,1,0,0,0,0|1,0,2]=4 17 B7R0.3 COC(=O)\C=C\CBr M1565 [0,1,0,0,0,0|2,0,1]=4 18 B7R0.5 CCOC(=O)C(F)Br E1920 [0,1,0,0,0,0|1,0,0]=2 19 B7R0.5 CCOC(=O)C(F)F E5215 [0,1,0,0,0,0|1,0,0]=2 20 B7R0.7 COCC(=O)COC D12730 [0,1,0,0,0,0|2,0,0]=3 21 B7R0.7 [C-]#[N+]CC(=O)OCC E14341 [0,1,0,0,0,0|0,0,1]=2 22 B7R0.10 COC(=O)[C@@H](N)CS C7887 [0,1,0,0,0,0|3,0,0]=4 23 B7R1.1 CCC1CCCN1 E15991 [0,0,0,1,0,0|2,0,1]=4 24 B7R1.1 NC[C@H]1CCCO1 T11002 [0,0,0,1,0,0|2,0,1]=4 25 B7R1.2 O=C1CCC(=O)C1 C13983 [0,0,0,1,0,0|2,0,1]=4 26 B7R1.2 O=C1CNC(=O)O1 O13300 [0,0,0,1,0,0|2,0,1]=4 27 B7R1.2 O=C1C[C@@H](O)CO1 H7194 [0,0,0,1,0,0|3,0,0]=4 28 B7R1.2 O=C1C[C@H](O)CN1 H2610 [0,0,0,1,0,0|3,0,0]=4 29 B7R1.2 O=C1C[C@H](O)CN1 H2610 [0,0,0,1,0,0|3,0,0]=4 30 B7R1.2 O=C1C[C@H](O)CO1 H2611 [0,0,0,1,0,0|3,0,0]=4 31 B7R1.3 BrC1CCCCN1 B7610 [0,0,0,1,0,0|2,0,1]=4 32 B7R1.3 CC1CCCCN1 M6451 [0,0,0,1,0,0|2,0,1]=4 33 B7R1.3 CN1CCCCC1 M3042 [0,0,0,1,0,0|3,0,0]=4 34 B7R1.3 C[C@H]1CCCCN1 M3041 [0,0,0,1,0,0|2,0,1]=4 35 B7R1.3 NN1CCCCC1 A3686 [0,0,0,1,0,0|3,0,0]=4 36 B7R1.3 O=C1C=CCCC1 C17765 [0,0,0,1,0,0|1,0,1]=3 37 B7R1.3 O=C1CCNCC1 P3649 [0,0,0,1,0,0|2,0,0]=3 38 B7R1.3 O=C1CCNCC1 P7276 [0,0,0,1,0,0|2,0,0]=3 39 B7R1.3 O=C1CCOCC1 T11055 [0,0,0,1,0,0|2,0,0]=3 40 B7R1.3 O=C1CNCCN1 P12440 [0,0,0,1,0,0|2,0,0]=3 41 B7R1.4 C=C1CCOC1=O M11697 [0,0,0,1,0,0|0,0,2]=3 42 B7R1.4 CC1OCCC1=O M5424 [0,0,0,1,0,0|2,0,0]=3 43 B7R1.4 CC1OCCC1S T12619 [0,0,0,1,0,0|2,0,1]=4 44 B7R1.4 CN1CCN=C1S M3268 [0,0,0,1,0,0|2,1,0]=4 45 B7R1.4 N[C@@H]1CONC1=O C5656 [0,0,0,1,0,0|3,0,0]=4 46 B7R1.4 O=C1OCCC1Br B11067 [0,0,0,1,0,0|1,0,0]=2 47 B4R0.1 CC(=O)NO A3293 [2,0,0,0,0,0|2,0,0]=4 48 B4R0.1 CCC(=N)N P12993 [2,0,0,0,0,0|2,0,0]=4 49 B4R0.1 CC[C@@H](C)O B4806 [2,0,0,0,0,0|0,0,2]=4 50 B4R0.1 CC[C@H](C)O B4805 [2,0,0,0,0,0|0,0,2]=4 51 B6R0.3 CCC(N)C(=O)O A2780 [1,1,0,0,0,0|2,0,0]=4 52 B6R0.3 CC[C@H](N)C(=O)O H17729 [1,1,0,0,0,0|2,0,0]=4 53 B6R0.3 CC[C@H](N)C(N)=O A3220 [1,1,0,0,0,0|2,0,0]=4 54 B6R0.3 CC[C@H](N)C(N)=O A3220 [1,1,0,0,0,0|2,0,0]=4 55 B6R0.4 NCCCC(=O)O A19243 [1,1,0,0,0,0|2,0,0]=4 56 B6R0.4 O=C(Cl)CCCCl C18875 [1,1,0,0,0,0|2,0,0]=4 57 B6R0.6 CCCCCCBr S19038 [1,1,0,0,0,0|1,0,1]=4 58 B6R0.6 ICCOCCI I12663 [1,1,0,0,0,0|1,0,1]=4 59 B8R0.2 COC(=O)[C@@H](N)C(C)C V7757 [0,2,0,0,0,0|2,0,0]=4 60 B8R0.2 COC(=O)[C@@H](N)[C@@H](C)O T7815 [0,2,0,0,0,0|2,0,0]=4 61 B8R0.24 CC(C)(C)OC(=O)CN G2443 [0,2,0,0,0,0|1,0,0]=3 62 B8R0.24 CC(C)(C)OC(=O)NO B12392 [0,2,0,0,0,0|2,0,0]=4 63 B8R0.1 CCOC(=O)\C=C\CBr E1566 [0,2,0,0,0,0|0,0,1]=3 64 B8R0.3 CCOC(=O)C(C)CN A14614 [0,2,0,0,0,0|0,0,0]=2 65 B8R0.3 CCOC(=O)C(N)C#N E14057 [0,2,0,0,0,0|0,0,1]=3 66 B8R0.3 CCOC(=O)[C@@H](N)CS C8432 [0,2,0,0,0,0|0,0,0]=2 67 B8R0.3 COC(=O)C(Br)CCBr M18995 [0,2,0,0,0,0|2,0,0]=4 68 B8R0.3 COC(=O)C(Br)CCBr M18995 [0,2,0,0,0,0|2,0,0]=4 69 B8R0.3 COC(=O)C(N)CCBr M13176 [0,2,0,0,0,0|2,0,0]=4 70 B8R0.3 COC(=O)[C@@H](N)CCBr M13187 [0,2,0,0,0,0|2,0,0]=4 71 B8R0.14 CCOC(=O)C(F)(F)Br E3484 [0,2,0,0,0,0|1,0,0]=3 72 B8R0.22 C=CC(OCC)OCC A12759 [0,2,0,0,0,0|1,0,1]=4 73 B8R0.22 CCOC(CBr)OCC B3470 [0,2,0,0,0,0|1,0,1]=4 74 B8R0.20 CCN(CC)C(=O)CCl C0410 [0,2,0,0,0,0|2,0,0]=4 75 B6R1.2 O=C1C=CCC1 C18886 [1,0,0,1,0,0|1,0,1]=4 76 B6R1.2 O=C1CCSC1 T11319 [1,0,0,1,0,0|2,0,0]=4 77 B6R1.2 O=C1CC[NH2+]N1 P12961 [1,0,0,1,0,0|2,0,0]=4 78 B6R1.2 O=C1NCCO1 O11604 [1,0,0,1,0,0|1,0,0]=3 79 B6R1.11 CC(=O)C1CC1 C0960 [1,0,0,1,0,0|1,0,0]=3 80 B6R1.11 O=C(O)C1CC1 C1203 [1,0,0,1,0,0|2,0,0]=4 81 B6R1.1 C1COCCN1 M12430 [1,0,0,1,0,0|1,0,1]=4 82 B8R1.1 CCC1=NC(C)CN1 E1868 [0,1,0,1,0,0|2,0,0]=4 83 B8R1.1 O=C1C=C[C@H](CO)O1 H15822 [0,1,0,1,0,0|0,0,2]=4 84 B8R1.1 O=C1CC[C@@H](CBr)N1 B12676 [0,1,0,1,0,0|1,0,0]=3 85 B8R1.1 O=C1CC[C@@H](CO)N1 H12661 [0,1,0,1,0,0|1,0,0]=3 86 B8R1.1 O=C1CC[C@@H](CO)N1 H12661 [0,1,0,1,0,0|1,0,0]=3 87 B8R1.4 C[C@H]1CNC[C@@H](C)O1 D6725 [0,1,0,1,0,0|1,0,1]=4 88 B8R1.4 NC1=CC(=O)CCC1 A11848 [0,1,0,1,0,0|1,0,1]=4 89 B8R1.4 O=C1C=C(Cl)CCC1 C14310 [0,1,0,1,0,0|1,0,1]=4 90 B8R1.18 CC1=C(C)OC(=O)O1 D0822 [0,1,0,1,0,0|0,0,2]=4 91 B8R1.18 N[C@@H]1CC(=O)OC1=O A18191 [0,1,0,1,0,0|1,0,1]=4 92 B8R1.2 CCC1CNCCO1 E17046 [0,1,0,1,0,0|1,0,1]=4 93 B8R1.2 N#CC1=CCCCO1 D16193 [0,1,0,1,0,0|1,0,1]=4 94 B8R1.3 CN1CCC(=O)CC1 M3185 [0,1,0,1,0,0|1,0,0]=3 95 B8R1.3 O=C1CCC(O)CC1 H15821 [0,1,0,1,0,0|1,0,0]=3 96 B8R1.3 O=C1CC[C@H](O)CN1 H14910 [0,1,0,1,0,0|1,0,0]=3 97 B8R1.5 CC1CNCCC1=O M11274 [0,1,0,1,0,0|1,0,0]=3 98 B8R1.5 CC1CNCCC1=O M19160 [0,1,0,1,0,0|1,0,0]=3 99 B8R1.5 CC1NCCNC1=O M17109 [0,1,0,1,0,0|1,0,0]=3 100 B8R1.5 N[C@H]1CCCNC1=O A18130 [0,1,0,1,0,0|1,0,0]=3 101 B8R1.38 COC(=O)C1CCN1 M19139 [0,1,0,1,0,0|2,0,0]=4 102 B8R1.50 CC1=C(O)COC1=O H15815 [0,1,0,1,0,0|0,0,2]=4 103 B8R1.8 BrCCC1OCCO1 B8236 [0,1,0,1,0,0|0,0,2]=4 104 B8R1.11 N#CC1CCCC1=O C17014 [0,1,0,1,0,0|1,0,1]=4 105 B8R1.11 O=C1CNCN1CO H13318 [0,1,0,1,0,0|2,0,0]=4