0 B11R1.20 CC(=O)NC1CCC(O)CC1 AC9234 [0,0,0,0,0,0|0,0,2]=2 1 B11R1.20 CC(C)OC1CCC(=O)CC1 C76212 [0,0,0,0,0,0|2,0,1]=3 2 B11R1.20 CC1CCC(CC(=O)O)CC1 74030 [0,0,0,0,0,0|3,0,1]=4 3 B11R1.20 CN1CCC(CC(=O)O)CC1 28183 [0,0,0,0,0,0|4,0,0]=4 4 B11R1.20 N[C@H]1CC[C@H](CC(=O)O)CC1 91099 [0,0,0,0,0,0|3,0,1]=4 5 B11R1.20 O=C(O)CC1CCC(=O)CC1 AB7696 [0,0,0,0,0,0|2,0,0]=2 6 B11R1.20 O=C(O)CC1CCC(O)CC1 C10165 [0,0,0,0,0,0|2,0,2]=4 7 B11R1.20 O=C(O)CN1CCC(=O)CC1 W10202 [0,0,0,0,0,0|3,0,0]=3 8 B10R1.1 CN1CCC(CC=O)CC1 Y10060 [1,0,0,0,0,0|3,0,0]=4 9 B10R1.1 N#CCC1CCC(=O)CC1 A10161 [1,0,0,0,0,0|2,0,1]=4 10 B10R1.1 O=C1CCC(CCO)CC1 AB7316 [1,0,0,0,0,0|1,0,2]=4 11 B10R1.18 CC(=O)C=C1CCCCC1 W15953 [1,0,0,0,0,0|1,0,2]=4 12 B10R1.18 CC(=O)CC1CCCCC1 D84585 [1,0,0,0,0,0|1,0,1]=3 13 B10R1.18 CC(=O)NC1CCCCC1 A11899 [1,0,0,0,0,0|0,0,1]=2 14 B10R1.18 CC(=O)N[C@H]1CCCNC1 C77680 [1,0,0,0,0,0|1,0,1]=3 15 B10R1.18 CC(C)NC1CCNCC1 W15212 [1,0,0,0,0,0|2,0,1]=4 16 B10R1.18 NC(=S)NC1CCCCC1 T70976 [1,0,0,0,0,0|1,1,1]=4 17 B10R1.18 O=C(Cl)CC1CCOCC1 78876 [1,0,0,0,0,0|3,0,0]=4 18 B10R1.18 O=C(O)CC1CCNCC1 20237 [1,0,0,0,0,0|3,0,0]=4 19 B12R1.106 CS(=O)(=O)NC1CCC(O)CC1 D81017 [0,1,0,0,0,0|1,0,2]=4 20 B12R1.1819 O=C(O)CC1CCS(=O)(=O)CC1 37724 [0,1,0,0,0,0|3,0,0]=4 21 B10R0.55 COC(=O)CCCCC(C)=O F16317 [0,0,1,0,0,0|2,0,0]=3 22 B10R0.87 CCCC[C@H](CC)OC(C)=O 73884 [0,0,1,0,0,0|2,0,1]=4 23 B10R1.13 C=C1CCN(C(C)=O)CC1 F20166 [0,0,0,0,1,0|2,0,0]=3 24 B10R1.13 CC(=O)N1CCC(Cl)CC1 C73926 [0,0,0,0,1,0|2,0,1]=4 25 B10R1.13 CC(=O)N1CCN(C)CC1 AB1017 [0,0,0,0,1,0|3,0,0]=4 26 B10R1.13 CC(=O)N1CCN(C)CC1 Y10612 [0,0,0,0,1,0|3,0,0]=4 27 B10R1.13 CC(=O)[C@@H]1CC=C(C)CC1 25854 [0,0,0,0,1,0|1,0,1]=3 28 B10R1.13 CC1=CC[C@@H](C(=O)O)CC1 71380 [0,0,0,0,1,0|2,0,1]=4 29 B10R1.13 CN1CCC(C(N)=O)CC1 AB1540 [0,0,0,0,1,0|3,0,0]=4 30 B10R1.13 NC(=O)C1CCC(=O)CC1 S11473 [0,0,0,0,1,0|1,0,0]=2 31 B10R1.13 O=C(O)C1CCC(F)CC1 P15397 [0,0,0,0,1,0|2,0,1]=4 32 B10R1.13 O=C(O)[C@H]1CC[C@@H](F)CC1 P16645 [0,0,0,0,1,0|2,0,1]=4 33 B10R1.13 O=C(O)[C@H]1CC[C@H](F)CC1 P16816 [0,0,0,0,1,0|2,0,1]=4 34 B10R1.13 O=C1CC[C@@H](C(=O)O)NC1 66144 [0,0,0,0,1,0|2,0,0]=3 35 B10R1.13 O=C1CN[C@H](C(=O)O)CN1 O11485 [0,0,0,0,1,0|3,0,0]=4 36 B10R1.54 CC(=O)O[C@@H]1C=CC(=O)C1 A10073 [0,0,0,0,1,0|1,0,2]=4 37 B10R1.54 CC(=O)O[C@@H]1C=CC(=O)C1 P15221 [0,0,0,0,1,0|1,0,2]=4 38 B10R1.54 O=C(O)C[C@H]1CCC(=O)C1 80174 [0,0,0,0,1,0|2,0,0]=3 39 B10R1.54 O=C(O)C[C@H]1CCC(=O)N1 AT10889 [0,0,0,0,1,0|3,0,0]=4 40 B12R1.21 O=C(O)CCC1CCC(=O)CC1 AC1679 [0,0,0,0,0,1|2,0,0]=3 41 B9R0.46 CCNCCCC(=O)OC 72977 [1,0,1,0,0,0|1,0,1]=4 42 B9R0.55 CC(=O)CCCOC(C)=O D74850 [1,0,1,0,0,0|1,0,0]=3 43 B9R1.1 CNC1CCC(N)CC1 CS1725 [2,0,0,0,0,0|1,0,1]=4 44 B9R1.1 CN[C@H]1CC[C@@H](O)CC1 38918 [2,0,0,0,0,0|0,0,2]=4 45 B9R1.1 CN[C@H]1CC[C@@H](O)CC1 C77279 [2,0,0,0,0,0|0,0,2]=4 46 B9R1.1 CN[C@H]1CC[C@H](O)CC1 C77158 [2,0,0,0,0,0|0,0,2]=4 47 B9R1.1 CON1CCC(=O)CC1 92073 [2,0,0,0,0,0|2,0,0]=4 48 B9R1.1 NCC1CCC(=O)CC1 56684 [2,0,0,0,0,0|1,0,1]=4 49 B9R1.1 O=CC1CCC(=O)CC1 C77323 [2,0,0,0,0,0|0,0,0]=2 50 B9R1.8 O=CCC1CCCCC1 11388 [2,0,0,0,0,0|1,0,1]=4 51 B11R0.176 CCOC(=O)CCCCC(N)=O 81596 [0,1,1,0,0,0|2,0,0]=4 52 B11R1.1 C=CCOC1CCC(=O)CC1 21086 [1,1,0,0,0,0|1,0,1]=4 53 B11R1.1 CCCOC1CCC(=O)CC1 O11282 [1,1,0,0,0,0|1,0,1]=4 54 B11R1.36 CC(=O)N(C)C1CCNCC1 20980 [1,1,0,0,0,0|1,0,0]=3 55 B11R1.36 CC(=O)N(C)[C@H]1CCCNC1 P12902 [1,1,0,0,0,0|1,0,1]=4 56 B11R1.36 CC(=O)N(C)[C@H]1CCCNC1 P16280 [1,1,0,0,0,0|1,0,1]=4 57 B11R1.40 CCC(=O)NC1CCCCC1 D93363 [1,1,0,0,0,0|0,0,1]=3 58 B11R1.3 CC(=O)N1CCC(=NO)CC1 W11665 [0,1,0,0,1,0|1,0,1]=4 59 B11R1.3 CC(=O)N1CCC(C=O)CC1 AB8006 [0,1,0,0,1,0|1,0,1]=4 60 B11R1.19 CS(=O)(=O)C1CCC(=O)CC1 S11459 [0,1,0,0,1,0|1,0,0]=3 61 B11R1.19 O=C1CCC(S(=O)(=O)Cl)CC1 C10438 [0,1,0,0,1,0|2,0,0]=4 62 B11R1.727 CC(=O)C1CCS(=O)(=O)CC1 AT13040 [0,1,0,0,1,0|1,0,0]=3 63 B11R1.39 COC(=O)C[C@H]1CCC(=O)N1 AT10062 [0,1,0,0,1,0|2,0,0]=4 64 B13R1.585 CC(=O)OC1CCN(C(C)=O)CC1 21116 [0,2,0,0,0,0|2,0,0]=4 65 B13R1.19 CCOC(=O)CN1CCC(=O)CC1 71982 [0,2,0,0,0,0|2,0,0]=4 66 B11R1.565 O=C1CCC[C@H](C(=O)O)CC1 64810 [0,0,1,1,0,0|2,0,0]=4 67 B11R2.742 O=C1CCC2(CC1)COC2 P13402 [1,0,0,1,0,0|2,0,0]=4 68 B11R2.742 O=C1CCC2(CCC2)CC1 84860 [1,0,0,1,0,0|1,0,1]=4 69 B11R2.703 O=C1CC2(CCCCC2)C1 W16071 [1,0,0,1,0,0|1,0,1]=4 70 B11R2.703 O=C1CC2(CCNCC2)C1 32032 [1,0,0,1,0,0|2,0,0]=4 71 B11R2.703 O=C1CC2(CCNCC2)N1 83090 [1,0,0,1,0,0|1,0,0]=3 72 B11R2.703 O=C1CC2(CCOCC2)C1 P16619 [1,0,0,1,0,0|2,0,0]=4 73 B11R2.703 O=C1C[C@@]2(CCCNC2)N1 P17665 [1,0,0,1,0,0|1,0,1]=4 74 B11R2.66 O=C1CN2C(=O)CC[C@H]2N1 W17118 [0,0,0,1,1,0|1,0,0]=3 75 B11R2.139 O=C1CC2CC(=O)CC2C1 H10082 [0,0,0,1,1,0|1,0,0]=3 76 B13R2.5120 O=C1CCC2(CC1)CNC(=O)C2 P11996 [0,0,0,1,0,1|0,0,0]=2 77 B9R1.7 CCC[C@H]1CCC(=O)C1 A10517 [1,0,0,0,1,0|1,0,1]=4 78 B9R1.6 NC(=O)C1CCNCC1 C75011 [1,0,0,0,1,0|2,0,0]=4 79 B9R1.6 O=C(O)C1CCSCC1 24425 [1,0,0,0,1,0|2,0,0]=4 80 B9R1.13 CC(=O)N[C@H]1CCNC1 50522 [1,0,0,0,1,0|1,0,0]=3 81 B9R1.13 CC(=O)O[C@@H]1CCCO1 D94546 [1,0,0,0,1,0|2,0,0]=4 82 B9R1.13 CC(=O)S[C@H]1CCOC1 W16075 [1,0,0,0,1,0|2,0,0]=4 83 B9R1.13 NC(=O)NC1CCCC1 W17339 [1,0,0,0,1,0|1,0,0]=3 84 B9R1.13 NC(=S)NC1CCCC1 D85797 [1,0,0,0,1,0|1,1,0]=4 85 B9R1.35 NC(=O)[C@@H]1CCC(=O)N1 64802 [0,0,0,0,2,0|2,0,0]=4 86 B9R1.35 O=C1CC[C@@H](C(=O)[O-])N1 F10334 [0,0,0,0,2,0|2,0,0]=4 87 B9R1.35 O=C1CN[C@H](C(=O)O)C1 P15402 [0,0,0,0,2,0|2,0,0]=4 88 B9R1.35 O=C1C[C@H](C(=O)O)CN1 P11664 [0,0,0,0,2,0|2,0,0]=4 89 B9R1.53 CC(=O)NC1CC(N)C1 P11362 [0,0,0,0,2,0|1,0,1]=4 90 B9R1.53 CC(=O)NC1CC(N)C1 P18507 [0,0,0,0,2,0|1,0,1]=4 91 B9R1.53 CC(=O)OC1CC(=O)C1 38846 [0,0,0,0,2,0|1,0,0]=3 92 B9R1.53 O=C(O)CC1CC(=O)C1 P14795 [0,0,0,0,2,0|2,0,0]=4 93 B9R1.67 CC(=O)O[C@H]1CCC1=O P20079 [0,0,0,0,2,0|1,0,0]=3 94 B11R0.6 CC(=O)O[C@@H](C)CCC=C(C)C A10536 [0,0,1,0,0,1|2,0,0]=4