0 B11R1.20 CC(=O)NC1CCC(=O)CC1 55001 [0,0,0,0,0,0|0,0,0]=0 1 B11R1.20 CC(=O)N[C@H]1CC[C@H](O)CC1 D76040 [0,0,0,0,0,0|0,0,2]=2 2 B11R1.20 CC(=O)OC1CCC(=O)CC1 F31026 [0,0,0,0,0,0|1,0,0]=1 3 B11R1.20 CC(C)CN1CCC(=O)CC1 28491 [0,0,0,0,0,0|3,0,1]=4 4 B11R1.20 CC(C)NC1CCN(C)CC1 V10034 [0,0,0,0,0,0|3,0,1]=4 5 B10R1.1 CCCC1CCC(=O)CC1 65224 [1,0,0,0,0,0|1,0,1]=3 6 B10R1.1 CCCN1CCC(=O)CC1 F17115 [1,0,0,0,0,0|2,0,1]=4 7 B10R1.1 CCOC1CCC(=O)CC1 F31362 [1,0,0,0,0,0|1,0,1]=3 8 B10R1.18 CC(=O)NC1CCNCC1 50436 [1,0,0,0,0,0|1,0,0]=2 9 B10R1.18 CC(C)NC1CCCCC1 D91133 [1,0,0,0,0,0|1,0,2]=4 10 B10R1.18 CC(C)NC1CCNCC1 20967 [1,0,0,0,0,0|2,0,1]=4 11 B10R1.18 NC(=O)NC1CCCCC1 AC9450 [1,0,0,0,0,0|1,0,1]=3 12 B10R1.18 O=C(O)CC1CCCCC1 F11130 [1,0,0,0,0,0|2,0,1]=4 13 B10R1.18 O=C(O)CC1CCNCC1 65126 [1,0,0,0,0,0|3,0,0]=4 14 B10R1.18 O=C(O)CC1CCOCC1 69697 [1,0,0,0,0,0|3,0,0]=4 15 B12R1.49 COC(=O)C=C1CCC(=O)CC1 D84481 [0,1,0,0,0,0|1,0,1]=3 16 B12R1.49 COC(=O)CC1CCN(C)CC1 AB9757 [0,1,0,0,0,0|3,0,0]=4 17 B10R0.55 COC(=O)CCCCC(=O)Cl D81982 [0,0,1,0,0,0|3,0,0]=4 18 B10R0.55 COC(=O)CCCCC(=O)O O11605 [0,0,1,0,0,0|3,0,0]=4 19 B10R0.96 C[C@@H](CCC(=O)O)CC(=O)O D91380 [0,0,1,0,0,0|3,0,0]=4 20 B10R1.13 CC(=O)C1CCN(C)CC1 C10124 [0,0,0,0,1,0|2,0,0]=3 21 B10R1.13 CC(=O)N1CCC(=O)CC1 20024 [0,0,0,0,1,0|1,0,0]=2 22 B10R1.13 CC(=O)N1CCC(Br)CC1 72176 [0,0,0,0,1,0|2,0,1]=4 23 B10R1.13 CC(=O)N1CCC(N)CC1 35114 [0,0,0,0,1,0|2,0,1]=4 24 B10R1.13 CC(=O)N1CCC(N)CC1 50546 [0,0,0,0,1,0|2,0,1]=4 25 B10R1.13 CC(=O)N1CCC(O)CC1 AB7343 [0,0,0,0,1,0|1,0,2]=4 26 B10R1.13 CC(C)C1CCC(=O)CC1 28968 [0,0,0,0,1,0|1,0,1]=3 27 B10R1.13 CC(C)N1CCC(=O)CC1 77866 [0,0,0,0,1,0|2,0,1]=4 28 B10R1.13 CC1CCC(C(=O)O)CC1 S12052 [0,0,0,0,1,0|2,0,1]=4 29 B10R1.13 CN(C)C1CCC(=O)CC1 25279 [0,0,0,0,1,0|2,0,0]=3 30 B10R1.13 CN1CCC(C(=O)O)CC1 64217 [0,0,0,0,1,0|3,0,0]=4 31 B10R1.13 CN1CCC(C(=O)O)CC1 AB1543 [0,0,0,0,1,0|3,0,0]=4 32 B10R1.13 C[C@H]1CC[C@H](C(=O)O)CC1 71079 [0,0,0,0,1,0|2,0,1]=4 33 B10R1.13 NC1CCC(C(=O)O)CC1 20592 [0,0,0,0,1,0|2,0,1]=4 34 B10R1.13 N[C@H]1CC[C@@H](C(=O)O)CC1 51515 [0,0,0,0,1,0|2,0,1]=4 35 B10R1.13 N[C@H]1CC[C@H](C(=O)O)CC1 51510 [0,0,0,0,1,0|2,0,1]=4 36 B10R1.13 N[C@H]1CC[C@H](C(=O)O)CC1 51511 [0,0,0,0,1,0|2,0,1]=4 37 B10R1.13 O=C(O)C1CCC(O)CC1 85341 [0,0,0,0,1,0|1,0,2]=4 38 B10R1.13 O=C(O)[C@H]1CC[C@@H](O)CC1 P10288 [0,0,0,0,1,0|1,0,2]=4 39 B10R1.13 O=C(O)[C@H]1CC[C@H](O)CC1 P10217 [0,0,0,0,1,0|1,0,2]=4 40 B10R1.13 O=C1CCC(C(=O)O)CC1 50103 [0,0,0,0,1,0|1,0,0]=2 41 B10R1.13 O=C1CC[C@H](C(=O)O)CN1 37581 [0,0,0,0,1,0|2,0,0]=3 42 B9R0.2 CC(=O)NCCCCCN F14796 [1,0,1,0,0,0|1,0,1]=4 43 B9R0.2 CC\C=C/CCOC(C)=O D88345 [1,0,1,0,0,0|1,0,1]=4 44 B9R0.46 COC(=O)CCCCC=O C76096 [1,0,1,0,0,0|2,0,0]=4 45 B9R0.55 CC(=O)CCCCC(=O)O AT14509 [1,0,1,0,0,0|2,0,0]=4 46 B9R0.55 CC(=O)NCCCC(=O)O D87839 [1,0,1,0,0,0|1,0,0]=3 47 B9R0.55 CC(=O)NCCCN(C)C AC5885 [1,0,1,0,0,0|2,0,0]=4 48 B9R1.1 CCC1CCC(=O)CC1 N10368 [2,0,0,0,0,0|0,0,1]=3 49 B9R1.1 CCN1CCC(=O)CC1 77862 [2,0,0,0,0,0|1,0,1]=4 50 B9R1.1 CNC1CCC(O)CC1 AB3908 [2,0,0,0,0,0|0,0,2]=4 51 B9R1.1 CNC1CCN(C)CC1 23193 [2,0,0,0,0,0|2,0,0]=4 52 B9R1.1 CN[C@H]1CC[C@H](O)CC1 AB3909 [2,0,0,0,0,0|0,0,2]=4 53 B9R1.1 COC1CCC(=O)CC1 23774 [2,0,0,0,0,0|1,0,0]=3 54 B9R1.1 N#CC1CCC(=O)CC1 80206 [2,0,0,0,0,0|1,0,1]=4 55 B9R1.1 O=C1CCC(CO)CC1 28378 [2,0,0,0,0,0|0,0,2]=4 56 B9R1.8 CCNC1CCOCC1 20751 [2,0,0,0,0,0|1,0,1]=4 57 B9R1.8 O=CCC1CCOCC1 30303 [2,0,0,0,0,0|2,0,0]=4 58 B9R1.8 O=CNC1CCCCC1 D89406 [2,0,0,0,0,0|0,0,1]=3 59 B11R0.176 CCOC(=O)CCCCC(=O)O C11248 [0,1,1,0,0,0|2,0,0]=4 60 B11R1.22 COC(=O)C1CCC(=O)CC1 64838 [1,1,0,0,0,0|2,0,0]=4 61 B11R1.36 CC(=O)N(C)C1CCNCC1 AB7609 [1,1,0,0,0,0|1,0,0]=3 62 B11R1.36 CC(=O)N(C)[C@H]1CCCNC1 P16282 [1,1,0,0,0,0|1,0,1]=4 63 B11R1.40 COC(=O)CC1CCCCC1 F14170 [1,1,0,0,0,0|1,0,1]=4 64 B11R1.40 COC(=O)CC1CCNCC1 69553 [1,1,0,0,0,0|2,0,0]=4 65 B11R1.40 COC(=O)CC1CCNCC1 69554 [1,1,0,0,0,0|2,0,0]=4 66 B11R1.40 COC(=O)CC1CCOCC1 20899 [1,1,0,0,0,0|2,0,0]=4 67 B11R1.40 NCC(=O)NC1CCCCC1 AB1057 [1,1,0,0,0,0|0,0,1]=3 68 B11R1.40 O=C(CCl)NC1CCCCC1 A10306 [1,1,0,0,0,0|0,0,1]=3 69 B11R1.40 O=C(CCl)OC1CCCCC1 71088 [1,1,0,0,0,0|1,0,1]=4 70 B11R1.509 CS(=O)(=O)NC1CCNCC1 W10081 [1,1,0,0,0,0|2,0,0]=4 71 B11R1.3 C=C(C)[C@@H]1CC=C(C=O)CC1 70062 [0,1,0,0,1,0|1,0,1]=4 72 B11R1.3 O=CN1CCC(C(=O)O)CC1 61602 [0,1,0,0,1,0|2,0,0]=4 73 B11R1.19 CC(C)(C)C1CCC(=O)CC1 12201 [0,1,0,0,1,0|1,0,1]=4 74 B11R1.19 CS(=O)(=O)N1CCC(=O)CC1 75221 [0,1,0,0,1,0|2,0,0]=4 75 B11R1.21 CN1C[C@@H](C(=O)O)CCC1=O P10740 [0,1,0,0,1,0|2,0,0]=4 76 B11R1.220 CC1(C(=O)O)CCC(=O)CC1 95142 [0,1,0,0,1,0|1,0,0]=3 77 B11R1.727 O=C(O)C1CCS(=O)(=O)CC1 38682 [0,1,0,0,1,0|2,0,0]=4 78 B13R1.19 CCOC(=O)CC1CCC(=O)CC1 84659 [0,2,0,0,0,0|1,0,0]=3 79 B11R1.23 COC(=O)[C@H]1CCCC(=O)C1 Y10196 [0,0,1,1,0,0|2,0,0]=4 80 B11R1.23 COC(=O)[C@H]1CCNC(=O)C1 37566 [0,0,1,1,0,0|1,0,0]=3 81 B11R2.139 O=C1CC2CC(=O)CC2C1 F12052 [0,0,0,1,1,0|1,0,0]=3 82 B13R2.5120 O=C1CCC2(CC1)CCC(=O)N2 83467 [0,0,0,1,0,1|2,0,0]=4 83 B9R0.1 C=C(C)CCCC(=O)OC C74671 [0,0,1,0,1,0|2,0,0]=4 84 B9R0.1 COC(=O)CCCC(=O)Cl S11980 [0,0,1,0,1,0|2,0,0]=4 85 B9R0.1 COC(=O)CCCC(=O)O AC9189 [0,0,1,0,1,0|2,0,0]=4 86 B9R0.1 COC(=O)CCCC(C)=O AC8283 [0,0,1,0,1,0|1,0,0]=3 87 B9R0.7 CC(=O)N(C)CCC(=O)O W18893 [0,0,1,0,1,0|2,0,0]=4 88 B9R0.7 C[C@@H](CCC(=O)O)C(=O)O T71598 [0,0,1,0,1,0|2,0,0]=4 89 B9R0.53 CC(=O)OC(C)OC(C)=O D90424 [0,0,1,0,1,0|2,0,0]=4 90 B9R1.6 CC(=O)C1CCCCC1 P10040 [1,0,0,0,1,0|0,0,1]=3 91 B9R1.6 CC(=O)C1CCNCC1 25527 [1,0,0,0,1,0|1,0,0]=3 92 B9R1.6 CC(=O)C1CCOCC1 53199 [1,0,0,0,1,0|1,0,0]=3 93 B9R1.6 CC(=O)N1CCCCC1 S12042 [1,0,0,0,1,0|1,0,1]=4 94 B9R1.6 CC(=O)N1CCNCC1 75167 [1,0,0,0,1,0|2,0,0]=4 95 B9R1.6 CC(=O)N1CCOCC1 C10101 [1,0,0,0,1,0|2,0,0]=4 96 B9R1.6 CC(=O)[C@@H]1CCCCN1 W15841 [1,0,0,0,1,0|1,0,1]=4 97 B9R1.6 NC(=O)C1CCCCC1 78531 [1,0,0,0,1,0|1,0,1]=4 98 B9R1.6 NC(=O)C1CCNCC1 39421 [1,0,0,0,1,0|2,0,0]=4 99 B9R1.6 NC(=O)C1CCOCC1 BL008091 [1,0,0,0,1,0|2,0,0]=4 100 B9R1.6 O=C(Cl)C1CCOCC1 F12379 [1,0,0,0,1,0|2,0,0]=4 101 B9R1.6 O=C(O)C1CCCCC1 P17799 [1,0,0,0,1,0|1,0,1]=4 102 B9R1.6 O=C(O)C1CCNCC1 AB2970 [1,0,0,0,1,0|2,0,0]=4 103 B9R1.6 O=C(O)C1CCNCC1 O12044 [1,0,0,0,1,0|2,0,0]=4 104 B9R1.6 O=C(O)C1CCOCC1 66534 [1,0,0,0,1,0|2,0,0]=4 105 B9R1.6 O=C(O)[C@@H]1CC=CCC1 38226 [1,0,0,0,1,0|1,0,1]=4 106 B9R1.6 O=C(O)[C@@H]1CC=CCC1 77785 [1,0,0,0,1,0|1,0,1]=4 107 B9R1.6 O=C(O)[C@@H]1CC=CCC1 F11249 [1,0,0,0,1,0|1,0,1]=4 108 B9R1.13 CC(=O)NC1CCCC1 20635 [1,0,0,0,1,0|0,0,0]=2 109 B9R1.13 CC(=O)N[C@H]1CCNC1 50520 [1,0,0,0,1,0|1,0,0]=3 110 B9R1.13 CC(=O)N[C@H]1CCNC1 P16272 [1,0,0,0,1,0|1,0,0]=3 111 B9R1.13 O=C(Cl)OC1CCCC1 35687 [1,0,0,0,1,0|2,0,0]=4 112 B9R1.13 O=C(O)CC1CCCC1 70862 [1,0,0,0,1,0|2,0,0]=4 113 B9R1.35 NC(=O)[C@@H]1CCC(=O)N1 S12115 [0,0,0,0,2,0|2,0,0]=4 114 B9R1.35 NC(=O)[C@@H]1CNC(=O)C1 W12224 [0,0,0,0,2,0|2,0,0]=4 115 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 36689 [0,0,0,0,2,0|2,0,0]=4 116 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 D77751 [0,0,0,0,2,0|2,0,0]=4 117 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 P17107 [0,0,0,0,2,0|2,0,0]=4 118 B9R1.35 O=C1CC[C@@H](C(=O)O)O1 60501 [0,0,0,0,2,0|2,0,0]=4 119 B9R1.35 O=C1CC[C@@H](C(=O)O)O1 78331 [0,0,0,0,2,0|2,0,0]=4 120 B9R1.35 O=C1CC[C@@H](C(=O)O)O1 86330 [0,0,0,0,2,0|2,0,0]=4 121 B9R1.35 O=C1CC[C@@H](C(=O)[O-])N1 S10166 [0,0,0,0,2,0|2,0,0]=4 122 B9R1.35 O=C1CC[C@H](C(=O)O)C1 24489 [0,0,0,0,2,0|1,0,0]=3 123 B9R1.35 O=C1CC[C@H](C(=O)O)C1 P12600 [0,0,0,0,2,0|1,0,0]=3 124 B9R1.35 O=C1CC[C@H](C(=O)O)C1 P12601 [0,0,0,0,2,0|1,0,0]=3 125 B9R1.35 O=C1CN[C@H](C(=O)O)C1 D87765 [0,0,0,0,2,0|2,0,0]=4 126 B9R1.35 O=C1C[C@H](C(=O)O)CN1 P10333 [0,0,0,0,2,0|2,0,0]=4 127 B9R1.53 CC(=O)O[C@H]1CC(=O)N1 33120 [0,0,0,0,2,0|2,0,0]=4 128 B11R0.6 CC(=O)OCC[C@H](C)OC(C)=O D70969 [0,0,1,0,0,1|1,0,0]=3