0 B8R0.6 CCCCC\C(N)=N/O H14018 [0,0,0,0,0,0|3,0,0]=3 1 B7R0.3 CCCCC(O)CN A13447 [1,0,0,0,0,0|1,0,2]=4 2 B7R0.3 CCCC\C(N)=N/O H14021 [1,0,0,0,0,0|3,0,0]=4 3 B7R0.4 CC(=O)CCCCCl C18888 [1,0,0,0,0,0|1,0,0]=2 4 B7R0.4 CCCCCC(=N)N H14019 [1,0,0,0,0,0|2,0,0]=3 5 B7R0.4 CCOCCC(=N)N E14098 [1,0,0,0,0,0|3,0,0]=4 6 B7R0.4 N=C(N)CCCCCl C16515 [1,0,0,0,0,0|3,0,0]=4 7 B7R0.4 O=C(Cl)CCCCBr B9001 [1,0,0,0,0,0|2,0,0]=3 8 B9R0.8 COC(=O)[C@@H](N)CCSC M5535 [0,1,0,0,0,0|2,0,0]=3 9 B9R0.46 CCCCCC\C(N)=N\O H12999 [0,1,0,0,0,0|3,0,0]=4 10 B9R0.46 CCCCOCC(O)CN A13314 [0,1,0,0,0,0|1,0,2]=4 11 B9R1.1 CN1CCC(CO)CC1 M7329 [0,0,0,1,0,0|3,0,0]=4 12 B9R1.1 O=C1CO[C@@H](CO)CN1 H16874 [0,0,0,1,0,0|3,0,0]=4 13 B9R1.2 CCN1CCCC(O)C1 E3028 [0,0,0,1,0,0|3,0,0]=4 14 B9R1.3 CC1C(=O)CCCC1=O D3659 [0,0,0,1,0,0|1,0,1]=3 15 B9R1.5 N[C@H]1CCCCNC1=O A0101 [0,0,0,1,0,0|2,0,0]=3 16 B9R1.7 NCC[C@H]1CC[C@@H](O)C1 A13699 [0,0,0,1,0,0|1,0,2]=4 17 B9R1.11 COC(=O)C1CC=CC1 M13309 [0,0,0,1,0,0|1,0,2]=4 18 B9R1.11 COC(=O)[C@@H]1CCCN1 P7690 [0,0,0,1,0,0|2,0,0]=3 19 B9R1.11 COC(=O)[C@H]1CCCN1 P7691 [0,0,0,1,0,0|2,0,0]=3 20 B9R1.11 N\C(=N/O)C1CCCC1 H13016 [0,0,0,1,0,0|3,0,0]=4 21 B9R1.88 COC(=O)[C@H]1O[C@@H]1CO M6398 [0,0,0,1,0,0|3,0,0]=4 22 B9R1.118 CC1(CBr)CCCCC1 B16961 [0,0,0,1,0,0|2,0,1]=4 23 B9R1.118 CC1(CCl)CCCCC1 C17007 [0,0,0,1,0,0|2,0,1]=4 24 B9R1.118 CC1(CN)CCCCC1 A15223 [0,0,0,1,0,0|2,0,1]=4 25 B9R1.118 CC1(CO)CCCCC1 H12662 [0,0,0,1,0,0|2,0,1]=4 26 B9R1.118 NC1(CO)CCCCC1 A18987 [0,0,0,1,0,0|2,0,1]=4 27 B9R1.118 NCC1(O)CCCCC1 A18986 [0,0,0,1,0,0|1,0,2]=4 28 B9R1.132 CCC1=C(O)C(=O)CC1 E13443 [0,0,0,1,0,0|1,0,2]=4 29 B6R0.6 CCCCCCBr S19038 [2,0,0,0,0,0|1,0,0]=3 30 B6R0.1 C=CC(=O)CCC H17062 [2,0,0,0,0,0|0,0,2]=4 31 B6R0.1 CCOC(=O)CN A14488 [2,0,0,0,0,0|2,0,0]=4 32 B6R0.1 CNCC(=O)OC M5408 [2,0,0,0,0,0|2,0,0]=4 33 B6R0.4 NCCCC(=O)O A19243 [2,0,0,0,0,0|2,0,0]=4 34 B6R0.4 O=C(Cl)CCCCl C18875 [2,0,0,0,0,0|2,0,0]=4 35 B8R0.4 CCCCCC#CCBr B8552 [1,1,0,0,0,0|0,0,2]=4 36 B8R0.7 CCCCCC[C@H](C)O O2182 [1,1,0,0,0,0|0,0,1]=3 37 B8R0.3 COC(=O)C(Br)CCBr M18995 [1,1,0,0,0,0|2,0,0]=4 38 B8R0.3 COC(=O)C(Br)CCBr M18995 [1,1,0,0,0,0|2,0,0]=4 39 B8R0.3 COC(=O)C(N)CCBr M13176 [1,1,0,0,0,0|2,0,0]=4 40 B8R0.3 COC(=O)[C@@H](N)CCBr M13187 [1,1,0,0,0,0|2,0,0]=4 41 B8R0.5 CCCC(N)CC(=O)O A14453 [1,1,0,0,0,0|1,0,0]=3 42 B10R0.2 CCOC(=O)C[C@H](O)CC#N E2621 [0,2,0,0,0,0|1,0,1]=4 43 B10R0.19 CCOC(=O)[C@@H](N)CCSC M5409 [0,2,0,0,0,0|1,0,0]=3 44 B10R0.19 CCOC(=O)[C@H](N)CCSC M6334 [0,2,0,0,0,0|1,0,0]=3 45 B8R1.2 BrCC1CCCCC1 B12603 [1,0,0,1,0,0|1,0,1]=4 46 B8R1.2 BrCC1CCNCC1 B18444 [1,0,0,1,0,0|2,0,0]=4 47 B8R1.2 BrCC1CCOCC1 B8153 [1,0,0,1,0,0|2,0,0]=4 48 B8R1.2 CCC1CCCCN1 E3360 [1,0,0,1,0,0|1,0,1]=4 49 B8R1.2 CNC1CCCCC1 M18798 [1,0,0,1,0,0|1,0,1]=4 50 B8R1.2 ClCN1CCCCC1 C5727 [1,0,0,1,0,0|2,0,0]=4 51 B8R1.2 NCC1CCNCC1 A10917 [1,0,0,1,0,0|2,0,0]=4 52 B8R1.2 NCC1CCOCC1 A18185 [1,0,0,1,0,0|2,0,0]=4 53 B8R1.2 OCC1CCNCC1 P11277 [1,0,0,1,0,0|2,0,0]=4 54 B8R1.5 CC1CCCCC1N M11246 [1,0,0,1,0,0|1,0,1]=4 55 B8R1.5 CC1NCCNC1C D17036 [1,0,0,1,0,0|2,0,0]=4 56 B8R1.8 CCCC1CCCN1 P17208 [1,0,0,1,0,0|1,0,1]=4 57 B8R1.8 CNCC1CCNC1 M17103 [1,0,0,1,0,0|2,0,0]=4 58 B8R1.22 CC1CCNCCN1 M15502 [1,0,0,1,0,0|2,0,0]=4 59 B8R1.22 CN1CCCNCC1 M3447 [1,0,0,1,0,0|2,0,0]=4 60 B8R1.36 CCCNCC1CC1 P2232 [1,0,0,1,0,0|1,0,1]=4 61 B8R1.1 CCC1=NC(C)CN1 E1868 [1,0,0,1,0,0|2,0,0]=4 62 B8R1.1 O=C1CC[C@@H](CBr)N1 B12676 [1,0,0,1,0,0|2,0,0]=4 63 B8R1.1 O=C1CC[C@@H](CO)N1 H12661 [1,0,0,1,0,0|2,0,0]=4 64 B8R1.1 O=C1CC[C@@H](CO)N1 H12661 [1,0,0,1,0,0|2,0,0]=4 65 B8R1.3 CN1CCC(=O)CC1 M3185 [1,0,0,1,0,0|1,0,0]=3 66 B8R1.3 C[C@H]1CC[C@H](N)CC1 M17931 [1,0,0,1,0,0|1,0,1]=4 67 B8R1.3 C[C@H]1CC[C@H](N)CC1 M6135 [1,0,0,1,0,0|1,0,1]=4 68 B8R1.3 O=C1CCC(O)CC1 H15821 [1,0,0,1,0,0|1,0,0]=3 69 B8R1.3 O=C1CC[C@H](O)CN1 H14910 [1,0,0,1,0,0|2,0,0]=4 70 B8R1.38 COC(=O)C1CCN1 M19139 [1,0,0,1,0,0|2,0,0]=4 71 B8R1.52 CCC1(O)CCCC1 E11709 [1,0,0,1,0,0|0,0,2]=4 72 B8R1.52 CCC1(O)CCCC1 E11709 [1,0,0,1,0,0|0,0,2]=4 73 B8R1.7 N=C(N)C1CCCC1 C13017 [1,0,0,1,0,0|2,0,0]=4 74 B8R1.7 NC(=O)[C@@H]1CCCN1 P2995 [1,0,0,1,0,0|2,0,0]=4 75 B8R1.7 O=C(O)C1CCCN1 P6294 [1,0,0,1,0,0|2,0,0]=4 76 B8R1.7 O=C(O)C1CCNC1 P12835 [1,0,0,1,0,0|2,0,0]=4 77 B8R1.7 O=C(O)C1CCOC1 T15197 [1,0,0,1,0,0|2,0,0]=4 78 B8R1.7 O=C(O)[C@@H]1CCCO1 T3062 [1,0,0,1,0,0|2,0,0]=4 79 B8R1.7 O=C(O)[C@H]1CCCN1 P0396 [1,0,0,1,0,0|2,0,0]=4 80 B8R1.7 O=C(O)[C@H]1CCCN1 P0396 [1,0,0,1,0,0|2,0,0]=4 81 B8R1.7 O=C(O)[C@H]1CCCO1 T6625 [1,0,0,1,0,0|2,0,0]=4 82 B8R1.7 O=C(O)[C@H]1CCCO1 T6625 [1,0,0,1,0,0|2,0,0]=4 83 B8R1.43 NCC1CC1C(=O)O A12911 [1,0,0,1,0,0|2,0,0]=4 84 B10R1.14 COC(=O)[C@@H]1C[C@@H](O)CN1 H8259 [0,1,0,1,0,0|2,0,0]=4 85 B10R1.10 NCCN1CCNC(=O)C1 A15432 [0,1,0,1,0,0|2,0,0]=4 86 B10R1.19 NC1CCCCCC1CO A13347 [0,1,0,1,0,0|1,0,1]=4 87 B10R1.29 CCCCN1CCCC1=O B18734 [0,1,0,1,0,0|1,0,0]=3 88 B10R1.85 ClCCN1CCCCCC1 H8936 [0,1,0,1,0,0|2,0,0]=4 89 B10R1.85 NCCN1CCCCCC1 A18255 [0,1,0,1,0,0|2,0,0]=4 90 B10R1.138 CCCC(=O)OC[C@H]1CO1 G3666 [0,1,0,1,0,0|2,0,0]=4 91 B10R1.15 COC(=O)C1CCCCN1 M11624 [0,1,0,1,0,0|1,0,0]=3 92 B10R1.15 COC(=O)C1CCCNC1 P15955 [0,1,0,1,0,0|1,0,0]=3 93 B10R1.15 COC(=O)C1CCNCC1 M11619 [0,1,0,1,0,0|1,0,0]=3 94 B10R1.15 COC(=O)C1CCNCC1 M11619 [0,1,0,1,0,0|1,0,0]=3 95 B10R1.15 COC(=O)C1CNCCN1 P11655 [0,1,0,1,0,0|2,0,0]=4 96 B10R1.15 COC(=O)C1CNCCN1 P17147 [0,1,0,1,0,0|2,0,0]=4 97 B10R1.15 COC(=O)C1CNCCN1 P17147 [0,1,0,1,0,0|2,0,0]=4 98 B10R1.15 COC(=O)C1COCCN1 M13385 [0,1,0,1,0,0|2,0,0]=4 99 B10R1.15 COC(=O)[C@H]1CCCNC1 M10946 [0,1,0,1,0,0|1,0,0]=3 100 B10R1.15 COC(=O)[C@H]1CCCNC1 M18788 [0,1,0,1,0,0|1,0,0]=3 101 B10R1.15 COC(=O)[C@H]1CCCNC1 M18788 [0,1,0,1,0,0|1,0,0]=3 102 B10R1.15 COC(=O)[C@H]1COCCN1 M13391 [0,1,0,1,0,0|2,0,0]=4 103 B10R1.15 O=C(CBr)N1CCSCC1 B4458 [0,1,0,1,0,0|2,0,0]=4 104 B10R1.15 O=C(CCl)N1CCOCC1 C7604 [0,1,0,1,0,0|2,0,0]=4 105 B10R1.275 CN1CCCC[C@H](N)C1=O A15399 [0,1,0,1,0,0|1,0,0]=3 106 B10R1.411 COC(=O)C1(N)CCCC1 M13175 [0,1,0,1,0,0|1,0,0]=3 107 B10R1.473 CCC1(C)COC(=O)OC1 E17050 [0,1,0,1,0,0|2,0,0]=4 108 B10R2.2 NN1CC2CCCC2C1 A7556 [0,0,0,2,0,0|2,0,0]=4