0 B11R1.20 CC(=O)N[C@H]1CC[C@H](O)CC1 H47124 [0,0,0,0,0,0|0,0,2]=2 1 B11R1.20 CC(=O)OC1CCC(=O)CC1 X47022 [0,0,0,0,0,0|1,0,0]=1 2 B11R1.20 CC(C)OC1CCC(=O)CC1 P50502 [0,0,0,0,0,0|2,0,1]=3 3 B11R1.20 CC1CCC(CC(=O)O)CC1 M63198 [0,0,0,0,0,0|3,0,1]=4 4 B11R1.20 CN1CCC(CC(=O)O)CC1 M11229 [0,0,0,0,0,0|4,0,0]=4 5 B11R1.20 N[C@H]1CC[C@H](CC(=O)O)CC1 A25282 [0,0,0,0,0,0|3,0,1]=4 6 B11R1.20 O=C(O)CC1CCC(O)CC1 H39090 [0,0,0,0,0,0|2,0,2]=4 7 B11R1.20 O=C(O)CN1CCC(=O)CC1 X43776 [0,0,0,0,0,0|3,0,0]=3 8 B10R1.1 CCCC1CCC(=O)CC1 P50500 [1,0,0,0,0,0|1,0,1]=3 9 B10R1.1 CCNC1CCN(C)CC1 E11172 [1,0,0,0,0,0|2,0,1]=4 10 B10R1.18 CC(=O)NC1CCNCC1 A43874 [1,0,0,0,0,0|1,0,0]=2 11 B10R1.18 NC(=O)CC1CCNCC1 P13834 [1,0,0,0,0,0|3,0,0]=4 12 B10R1.18 O=C(O)CC1CCCCC1 C69214 [1,0,0,0,0,0|2,0,1]=4 13 B10R1.18 O=C(O)CC1CCNCC1 P7877 [1,0,0,0,0,0|3,0,0]=4 14 B10R1.18 O=C(O)CC1CCOCC1 T0118 [1,0,0,0,0,0|3,0,0]=4 15 B12R1.49 COC(=O)CC1CCN(C)CC1 M13931 [0,1,0,0,0,0|3,0,0]=4 16 B12R1.1819 O=C(O)CC1CCS(=O)(=O)CC1 D10583 [0,1,0,0,0,0|3,0,0]=4 17 B10R0.55 COC(=O)CCCCC(=O)[O-] M43784 [0,0,1,0,0,0|3,0,0]=4 18 B10R0.55 COC(=O)CCCCC(C)=O M47094 [0,0,1,0,0,0|2,0,0]=3 19 B12R2.1392 CC(=O)[C@H]1CC2CCC1CC2 B53207 [0,0,0,1,0,0|2,0,1]=4 20 B10R1.13 CC(=O)C1CCN(C)CC1 A61485 [0,0,0,0,1,0|2,0,0]=3 21 B10R1.13 CC(=O)N1CCC(=O)CC1 A38504 [0,0,0,0,1,0|1,0,0]=2 22 B10R1.13 CC(=O)N1CCC(Cl)CC1 C38339 [0,0,0,0,1,0|2,0,1]=4 23 B10R1.13 CC(=O)N1CCC(N)CC1 A12231 [0,0,0,0,1,0|2,0,1]=4 24 B10R1.13 CC(=O)N1CCC(N)CC1 A12232 [0,0,0,0,1,0|2,0,1]=4 25 B10R1.13 CC(=O)N1CCC(O)CC1 H7831 [0,0,0,0,1,0|1,0,2]=4 26 B10R1.13 CC(=O)N1CCN(C)CC1 M43876 [0,0,0,0,1,0|3,0,0]=4 27 B10R1.13 CC(C)C1CCC(=O)CC1 P50501 [0,0,0,0,1,0|1,0,1]=3 28 B10R1.13 CC(C)N1CCC(=O)CC1 P47115 [0,0,0,0,1,0|2,0,1]=4 29 B10R1.13 CC1CCC(C(=O)O)CC1 M47086 [0,0,0,0,1,0|2,0,1]=4 30 B10R1.13 CN(C)C1CCC(=O)CC1 D23555 [0,0,0,0,1,0|2,0,0]=3 31 B10R1.13 CN1CCC(C(=O)O)CC1 M3857 [0,0,0,0,1,0|3,0,0]=4 32 B10R1.13 CN1CCC(C(=O)O)CC1 M46487 [0,0,0,0,1,0|3,0,0]=4 33 B10R1.13 CN1CCC(C(N)=O)CC1 M3856 [0,0,0,0,1,0|3,0,0]=4 34 B10R1.13 C[C@H]1CC[C@H](C(=O)O)CC1 M47088 [0,0,0,0,1,0|2,0,1]=4 35 B10R1.13 NC(=O)C1CCC(=O)CC1 X69547 [0,0,0,0,1,0|1,0,0]=2 36 B10R1.13 N[C@H]1CC[C@@H](C(=O)O)CC1 A17080 [0,0,0,0,1,0|2,0,1]=4 37 B10R1.13 N[C@H]1CC[C@@H](C(=O)O)CC1 A8201 [0,0,0,0,1,0|2,0,1]=4 38 B10R1.13 N[C@H]1CC[C@H](C(=O)O)CC1 A15622 [0,0,0,0,1,0|2,0,1]=4 39 B10R1.13 N[C@H]1CC[C@H](C(=O)O)CC1 T1863 [0,0,0,0,1,0|2,0,1]=4 40 B10R1.13 O=C(O)C1CCC(F)CC1 F30022 [0,0,0,0,1,0|2,0,1]=4 41 B10R1.13 O=C(O)[C@H]1CC[C@@H](O)CC1 H13281 [0,0,0,0,1,0|1,0,2]=4 42 B10R1.13 O=C(O)[C@H]1CC[C@H](O)CC1 H13280 [0,0,0,0,1,0|1,0,2]=4 43 B10R1.13 O=C1CCC(C(=O)O)CC1 X12147 [0,0,0,0,1,0|1,0,0]=2 44 B10R1.13 O=C1CC[C@@H](C(=O)O)NC1 X1308 [0,0,0,0,1,0|2,0,0]=3 45 B10R1.13 O=C1CC[C@H](C(=O)O)CN1 X1728 [0,0,0,0,1,0|2,0,0]=3 46 B10R1.13 O=C1CN[C@H](C(=O)O)CN1 X41365 [0,0,0,0,1,0|3,0,0]=4 47 B10R1.54 CC(=O)O[C@H]1C=CC(=O)C1 X24459 [0,0,0,0,1,0|1,0,2]=4 48 B10R1.54 O=C1CC[C@H](C[N+](=O)[O-])C1 N43386 [0,0,0,0,1,0|3,0,0]=4 49 B9R0.55 CC(=O)CCCCC(=O)O A43811 [1,0,1,0,0,0|2,0,0]=4 50 B9R0.55 CC(=O)CCCOC(C)=O X62778 [1,0,1,0,0,0|1,0,0]=3 51 B9R1.1 CCC1CCC(=O)CC1 E39441 [2,0,0,0,0,0|0,0,1]=3 52 B9R1.1 CNC1CCC(O)CC1 M43910 [2,0,0,0,0,0|0,0,2]=4 53 B9R1.1 CNC1CCN(C)CC1 M25129 [2,0,0,0,0,0|2,0,0]=4 54 B9R1.1 CN[C@H]1CC[C@@H](O)CC1 M11757 [2,0,0,0,0,0|0,0,2]=4 55 B9R1.1 CN[C@H]1CC[C@@H](O)CC1 M46513 [2,0,0,0,0,0|0,0,2]=4 56 B9R1.1 CN[C@H]1CC[C@H](O)CC1 M11758 [2,0,0,0,0,0|0,0,2]=4 57 B9R1.1 CN[C@H]1CC[C@H](O)CC1 M26528 [2,0,0,0,0,0|0,0,2]=4 58 B9R1.1 N#CC1CCC(=O)CC1 X46386 [2,0,0,0,0,0|1,0,1]=4 59 B9R1.1 O=CC1CCC(=O)CC1 X43715 [2,0,0,0,0,0|0,0,0]=2 60 B9R1.8 CCNC1CCOCC1 E43915 [2,0,0,0,0,0|1,0,1]=4 61 B9R1.8 O=CCC1CCOCC1 T12448 [2,0,0,0,0,0|2,0,0]=4 62 B11R1.22 COC(=O)C1CCC(=O)CC1 M47024 [1,1,0,0,0,0|2,0,0]=4 63 B11R1.36 CC(=O)N(C)C1CCNCC1 M13072 [1,1,0,0,0,0|1,0,0]=3 64 B11R1.36 CC(=O)N(C)[C@@H]1CCCNC1 M13074 [1,1,0,0,0,0|1,0,1]=4 65 B11R1.36 CC(=O)N(C)[C@H]1CCCNC1 M13073 [1,1,0,0,0,0|1,0,1]=4 66 B11R1.36 CC(=O)N(C)[C@H]1CCCNC1 M13075 [1,1,0,0,0,0|1,0,1]=4 67 B11R1.36 CC(=O)N(C)[C@H]1CCCNC1 M30094 [1,1,0,0,0,0|1,0,1]=4 68 B11R1.40 COC(=O)CC1CCNCC1 M49566 [1,1,0,0,0,0|2,0,0]=4 69 B11R1.40 COC(=O)CC1CCOCC1 M20436 [1,1,0,0,0,0|2,0,0]=4 70 B11R1.3 O=CN1CCC(C(=O)O)CC1 F11011 [0,1,0,0,1,0|2,0,0]=4 71 B11R1.21 CN1C[C@@H](C(=O)O)CCC1=O M12741 [0,1,0,0,1,0|2,0,0]=4 72 B11R1.166 C[C@@H]1CC(=O)CC[C@H]1C(=O)O M59967 [0,1,0,0,1,0|1,0,0]=3 73 B11R1.166 C[C@H]1CC(=O)CC[C@H]1C(=O)O M60235 [0,1,0,0,1,0|1,0,0]=3 74 B11R1.220 CC1(C(=O)O)CCC(=O)CC1 M22599 [0,1,0,0,1,0|1,0,0]=3 75 B11R1.727 CC(=O)C1CCC(F)(F)CC1 D17611 [0,1,0,0,1,0|1,0,1]=4 76 B11R1.727 O=C(O)C1CCS(=O)(=O)CC1 D8036 [0,1,0,0,1,0|2,0,0]=4 77 B11R1.710 CC(=O)S[C@H]1CCS(=O)(=O)C1 D2037 [0,1,0,0,1,0|2,0,0]=4 78 B13R1.19 CCOC(=O)CC1CCC(=O)CC1 E24374 [0,2,0,0,0,0|1,0,0]=3 79 B13R1.2680 COC(=O)CC1CCS(=O)(=O)CC1 M19566 [0,2,0,0,0,0|2,0,0]=4 80 B11R1.23 COC(=O)[C@H]1CCCC(=O)C1 M47023 [0,0,1,1,0,0|2,0,0]=4 81 B11R1.23 COC(=O)[C@H]1CCNC(=O)C1 M7686 [0,0,1,1,0,0|1,0,0]=3 82 B11R1.743 CC(=O)OC1CN(C(C)=O)C1 A43774 [0,0,1,1,0,0|2,0,0]=4 83 B11R2.742 O=C1CCC2(CC1)COC2 O8481 [1,0,0,1,0,0|2,0,0]=4 84 B11R2.742 O=C1CCC2(CCO2)CC1 X59759 [1,0,0,1,0,0|1,0,1]=4 85 B11R2.10 O=C1NC2CCNCC2O1 X19636 [1,0,0,1,0,0|2,0,0]=4 86 B11R2.703 O=C1CC2(CCNCC2)C1 A19336 [1,0,0,1,0,0|2,0,0]=4 87 B11R2.703 O=C1CC2(CCNCC2)N1 D60725 [1,0,0,1,0,0|1,0,0]=3 88 B11R2.703 O=C1CC2(CCOCC2)C1 X18768 [1,0,0,1,0,0|2,0,0]=4 89 B11R2.1824 CC(=O)N1C2CNCC1C2 D60363 [1,0,0,1,0,0|1,0,1]=4 90 B11R2.139 O=C1CC2CC(=O)CC2C1 T38856 [0,0,0,1,1,0|1,0,0]=3 91 B11R2.139 O=C1CC2CC(=O)CC2C1 T46834 [0,0,0,1,1,0|1,0,0]=3 92 B13R2.5120 O=C1CCC2(CC1)CCC(=O)N2 A10660 [0,0,0,1,0,1|2,0,0]=4 93 B13R2.5120 O=C1CCC2(CC1)CNC(=O)C2 A13496 [0,0,0,1,0,1|0,0,0]=2 94 B9R0.1 C=C(C)CCCC(=O)OC M47085 [0,0,1,0,1,0|2,0,0]=4 95 B9R0.1 COC(=O)CCCC(=O)Cl M43405 [0,0,1,0,1,0|2,0,0]=4 96 B9R0.1 COC(=O)CCCC(=O)O M37961 [0,0,1,0,1,0|2,0,0]=4 97 B9R0.1 COC(=O)CCCC(C)=O M62839 [0,0,1,0,1,0|1,0,0]=3 98 B9R0.7 C[C@H](CCC(=O)O)C(=O)O M62172 [0,0,1,0,1,0|2,0,0]=4 99 B9R1.6 CC(=O)C1CCCCC1 C25535 [1,0,0,0,1,0|0,0,1]=3 100 B9R1.6 CC(=O)C1CCNCC1 P69462 [1,0,0,0,1,0|1,0,0]=3 101 B9R1.6 CC(=O)C1CCOCC1 T11195 [1,0,0,0,1,0|1,0,0]=3 102 B9R1.6 CC(=O)N1CCNCC1 A67843 [1,0,0,0,1,0|2,0,0]=4 103 B9R1.6 NC(=O)C1CCNCC1 P10277 [1,0,0,0,1,0|2,0,0]=4 104 B9R1.6 NC(=O)C1CCNCC1 P43467 [1,0,0,0,1,0|2,0,0]=4 105 B9R1.6 O=C(Cl)C1CCOCC1 T3932 [1,0,0,0,1,0|2,0,0]=4 106 B9R1.6 O=C(O)C1CCCCC1 C64950 [1,0,0,0,1,0|1,0,1]=4 107 B9R1.6 O=C(O)C1CCNCC1 P23933 [1,0,0,0,1,0|2,0,0]=4 108 B9R1.6 O=C(O)C1CCNCC1 P24453 [1,0,0,0,1,0|2,0,0]=4 109 B9R1.6 O=C(O)C1CCOCC1 T0117 [1,0,0,0,1,0|2,0,0]=4 110 B9R1.6 O=C(O)C1CCSCC1 T13091 [1,0,0,0,1,0|2,0,0]=4 111 B9R1.6 O=C(O)[C@@H]1CC=CCC1 C11079 [1,0,0,0,1,0|1,0,1]=4 112 B9R1.6 O=C(O)[C@@H]1CC=CCC1 C68354 [1,0,0,0,1,0|1,0,1]=4 113 B9R1.6 O=C(O)[C@H]1CC=CCC1 C11080 [1,0,0,0,1,0|1,0,1]=4 114 B9R1.13 CC(=O)N[C@@H]1CCNC1 A14336 [1,0,0,0,1,0|1,0,0]=3 115 B9R1.13 CC(=O)N[C@H]1CCNC1 A14335 [1,0,0,0,1,0|1,0,0]=3 116 B9R1.13 CC(=O)N[C@H]1CCNC1 P63075 [1,0,0,0,1,0|1,0,0]=3 117 B9R1.13 O=C(Cl)OC1CCCC1 C43402 [1,0,0,0,1,0|2,0,0]=4 118 B9R1.13 O=C(O)CC1CCCC1 C16642 [1,0,0,0,1,0|2,0,0]=4 119 B9R1.35 CC(=O)N1CCC(=O)C1 A38370 [0,0,0,0,2,0|1,0,0]=3 120 B9R1.35 O=C1CC[C@@H](C(=O)O)C1 X15326 [0,0,0,0,2,0|1,0,0]=3 121 B9R1.35 O=C1CC[C@@H](C(=O)O)O1 X22343 [0,0,0,0,2,0|2,0,0]=4 122 B9R1.35 O=C1CC[C@@H](C(=O)O)O1 X38776 [0,0,0,0,2,0|2,0,0]=4 123 B9R1.35 O=C1CC[C@@H](C(=O)O)S1 X10747 [0,0,0,0,2,0|2,0,0]=4 124 B9R1.35 O=C1CC[C@H](C(=O)O)C1 O7893 [0,0,0,0,2,0|1,0,0]=3 125 B9R1.35 O=C1CC[C@H](C(=O)O)C1 X15325 [0,0,0,0,2,0|1,0,0]=3 126 B9R1.35 O=C1CC[C@H](C(=O)O)O1 X37943 [0,0,0,0,2,0|2,0,0]=4 127 B9R1.35 O=C1CN[C@H](C(=O)O)C1 X30036 [0,0,0,0,2,0|2,0,0]=4 128 B9R1.35 O=C1C[C@H](C(=O)O)CN1 X13558 [0,0,0,0,2,0|2,0,0]=4 129 B9R1.53 CC(=O)NC1CC(N)C1 A30123 [0,0,0,0,2,0|1,0,1]=4 130 B9R1.53 CC(=O)NC1CC(N)C1 N14377 [0,0,0,0,2,0|1,0,1]=4 131 B9R1.53 CC(=O)OC1CC(=O)C1 X11663 [0,0,0,0,2,0|1,0,0]=3 132 B9R1.53 CC(=O)O[C@H]1CC(=O)N1 A15221 [0,0,0,0,2,0|2,0,0]=4