0 B9R0.2 CC(=O)NCCCCCN HY-101403 [0,0,0,0,0,0|3,0,0]=3 1 B9R0.2 NCCCCCCC(O)=O AC180226 [0,0,0,0,0,0|1,0,0]=1 2 B8R0.4 C=CCCCCCCI LN01331461 [1,0,0,0,0,0|2,0,0]=3 3 B8R0.7 CCCCCCB(O)O AC090081 [1,0,0,0,0,0|1,0,1]=3 4 B8R0.7 NCCCCCC(O)=O AC510865 [1,0,0,0,0,0|1,0,0]=2 5 B8R0.7 NCCCCCC(O)=O HY-B0236 [1,0,0,0,0,0|1,0,0]=2 6 B8R0.7 OC(=O)CCCCCBr AC510767 [1,0,0,0,0,0|1,0,0]=2 7 B10R0.4 CCCCCCCCB(O)O AC090129 [0,1,0,0,0,0|1,0,1]=3 8 B10R0.4 NCCCCCCCC(O)=O AC512135 [0,1,0,0,0,0|0,0,0]=1 9 B10R0.4 OC(=O)CCCCCCCBr AC511566 [0,1,0,0,0,0|0,0,0]=1 10 B10R0.74 CCCCCCCC(=O)NN AC180269 [0,1,0,0,0,0|1,0,0]=2 11 B10R0.74 CCCCCCCC(=O)NO AC170039 [0,1,0,0,0,0|0,0,0]=1 12 B10R0.74 COC(=O)CCCCCCBr AC500085 [0,1,0,0,0,0|1,0,0]=2 13 B10R0.74 COC(=O)CCCCCCN AC511150 [0,1,0,0,0,0|1,0,0]=2 14 B10R0.75 N[C@@H](CSCCCO)C(O)=O HY-B0393 [0,1,0,0,0,0|2,0,0]=3 15 B10R1.18 C1CC(CC(=O)O)CNC1 LN00214899 [0,0,0,1,0,0|1,0,0]=2 16 B10R1.18 OB(O)CC1CCCCC1 AC090127 [0,0,0,1,0,0|1,0,1]=3 17 B10R1.18 OC(=O)CC1CCCNC1 AC170098 [0,0,0,1,0,0|1,0,0]=2 18 B10R1.18 OC(=O)CC1CCNCC1 AC170072 [0,0,0,1,0,0|1,0,0]=2 19 B10R1.18 OC(=O)CC1CCNCC1 AC181391 [0,0,0,1,0,0|1,0,0]=2 20 B10R1.18 OC(=O)CC1CCOCC1 AC170121 [0,0,0,1,0,0|1,0,0]=2 21 B10R1.18 OC(=O)CC1CNCCO1 AC320012 [0,0,0,1,0,0|2,0,0]=3 22 B10R1.18 OC(=O)CN1CCOCC1 AC020459 [0,0,0,1,0,0|2,0,0]=3 23 B10R1.18 OC(=O)CN1CCOCC1 AC021694 [0,0,0,1,0,0|2,0,0]=3 24 B10R1.61 CC(=O)C1CCCCC1=O AC220177 [0,0,0,1,0,0|2,0,1]=4 25 B10R1.66 C(CC1OCCO1)C(=O)O LN00338985 [0,0,0,1,0,0|2,0,0]=3 26 B10R1.66 OC(=O)CCC1OCCO1 AC270011 [0,0,0,1,0,0|2,0,0]=3 27 B7R0.1 NCCCCCCO AC511691 [2,0,0,0,0,0|1,0,0]=3 28 B7R0.1 OCCCCCC#C AC510906 [2,0,0,0,0,0|0,0,2]=4 29 B7R0.4 COCCCC(O)=O AC100091 [2,0,0,0,0,0|1,0,0]=3 30 B9R0.47 CCCCC[C@H](N)C(O)=O AC512037 [1,1,0,0,0,0|0,0,0]=2 31 B9R0.47 NCCCC[C@@H](N)C(O)=O AC180292 [1,1,0,0,0,0|1,0,0]=3 32 B9R0.47 NCCOC[C@H](N)C(O)=O HY-U00097 [1,1,0,0,0,0|2,0,0]=4 33 B9R0.55 CC(=O)NCCCC(O)=O HY-101411 [1,1,0,0,0,0|1,0,1]=4 34 B11R0.1 CCC[C@@H](C)C[C@H](N)CC(O)=O HY-U00250 [0,2,0,0,0,0|0,0,0]=2 35 B11R0.59 CCCC(C)N(C)CCC(O)=O AC010526 [0,2,0,0,0,0|1,0,0]=3 36 B11R0.30 CC(=O)NCCCCCC(O)=O HY-B1259 [0,2,0,0,0,0|0,0,1]=3 37 B11R0.111 COC(=O)CCCCCC(=O)O LN00216903 [0,2,0,0,0,0|0,0,1]=3 38 B11R0.111 COC(=O)CCCCCC(O)=O AC160332 [0,2,0,0,0,0|0,0,1]=3 39 B11R0.148 CCCCCCC/C=C/C(O)=O HY-13211 [0,2,0,0,0,0|0,0,0]=2 40 B11R0.148 CCCCCCC/C=C\C(O)=O HY-13212 [0,2,0,0,0,0|0,0,0]=2 41 B11R0.148 OC(=O)CCCCCCCCBr AC510762 [0,2,0,0,0,0|0,0,0]=2 42 B11R0.176 CCOC(=O)NCCCC(O)=O AC030065 [0,2,0,0,0,0|1,0,1]=4 43 B11R0.93 CCC(C)CN(C)CCC(O)=O AC010535 [0,2,0,0,0,0|1,0,0]=3 44 B11R0.85 CC(C)CCN(C)CCC(O)=O AC010539 [0,2,0,0,0,0|1,0,0]=3 45 B9R1.5 CC1CCNCCC1=O LN00001918 [1,0,0,1,0,0|1,0,0]=3 46 B9R1.5 CC1CCNCCC1O LN00001096 [1,0,0,1,0,0|1,0,1]=4 47 B9R1.5 NC1CCCCNC1=O AC021266 [1,0,0,1,0,0|2,0,0]=4 48 B9R1.5 NC1CCCCNC1=O AC180582 [1,0,0,1,0,0|2,0,0]=4 49 B9R1.5 N[C@@H]1CCCCNC1=O AC180246 [1,0,0,1,0,0|2,0,0]=4 50 B9R1.5 N[C@H]1CCCCNC1=O AC180583 [1,0,0,1,0,0|2,0,0]=4 51 B9R1.8 C(CO)C1CCOCC1 LN00183595 [1,0,0,1,0,0|1,0,1]=4 52 B9R1.8 N#CCC1CCCCC1 AC030191 [1,0,0,1,0,0|1,0,1]=4 53 B9R1.8 OCCC1CCCCN1 AC180119 [1,0,0,1,0,0|1,0,1]=4 54 B9R1.8 OCCC1CCCNC1 AC170080 [1,0,0,1,0,0|1,0,1]=4 55 B9R1.16 O[C@@H]1C[C@H]1CCCC=C AC021542 [1,0,0,1,0,0|2,0,0]=4 56 B9R1.33 CN1CCCC1CCO LN00185424 [1,0,0,1,0,0|1,0,1]=4 57 B9R1.50 O=C1CCCCCCC1 AC510797 [1,0,0,1,0,0|0,0,0]=2 58 B9R1.89 OC[C@@H]1CCCCCN1 AC020186 [1,0,0,1,0,0|1,0,1]=4 59 B9R1.6 C1CNC(CN1)C(=O)O LN00009512 [1,0,0,1,0,0|2,0,0]=4 60 B9R1.6 CC(=O)C1CCCCC1 AC510963 [1,0,0,1,0,0|1,0,0]=3 61 B9R1.6 CC(=O)C1CCOCC1 AC220050 [1,0,0,1,0,0|2,0,0]=4 62 B9R1.6 ClC(=O)C1CCOCC1 AC220193 [1,0,0,1,0,0|2,0,0]=4 63 B9R1.6 ClC(=O)N1CCCCC1 AC100058 [1,0,0,1,0,0|2,0,0]=4 64 B9R1.6 NC(=O)C1CCCNC1 AC180121 [1,0,0,1,0,0|2,0,0]=4 65 B9R1.6 NC(=O)C1CCNCC1 AC511687 [1,0,0,1,0,0|2,0,0]=4 66 B9R1.6 NC(=O)C1CCOCC1 AC220035 [1,0,0,1,0,0|2,0,0]=4 67 B9R1.6 OB(O)C1CCCCC1 AC510772 [1,0,0,1,0,0|1,0,1]=4 68 B9R1.6 OC(=O)C1CCCCC1 AC190179 [1,0,0,1,0,0|0,0,0]=2 69 B9R1.6 OC(=O)C1CCCCN1 AC130051 [1,0,0,1,0,0|1,0,0]=3 70 B9R1.6 OC(=O)C1CCCCN1 AC510756 [1,0,0,1,0,0|1,0,0]=3 71 B9R1.6 OC(=O)C1CCCCO1 AC170058 [1,0,0,1,0,0|1,0,0]=3 72 B9R1.6 OC(=O)C1CCCOC1 AC170092 [1,0,0,1,0,0|1,0,0]=3 73 B9R1.6 OC(=O)C1CCNCC1 AC180124 [1,0,0,1,0,0|1,0,0]=3 74 B9R1.6 OC(=O)C1CCOCC1 AC180391 [1,0,0,1,0,0|1,0,0]=3 75 B9R1.6 OC(=O)C1CNCCN1 AC180739 [1,0,0,1,0,0|2,0,0]=4 76 B9R1.6 OC(=O)C1COCCN1 AC170096 [1,0,0,1,0,0|2,0,0]=4 77 B9R1.6 OC(=O)[C@@H]1CCC=CC1 AC310100 [1,0,0,1,0,0|0,0,2]=4 78 B9R1.6 OC(=O)[C@@H]1CNCCN1 AC020777 [1,0,0,1,0,0|2,0,0]=4 79 B9R1.6 OC(=O)[C@@H]1COCCN1 AC181656 [1,0,0,1,0,0|2,0,0]=4 80 B9R1.6 OC(=O)[C@H]1CCC=CC1 AC310113 [1,0,0,1,0,0|0,0,2]=4 81 B9R1.6 OC(=O)[C@H]1CCCCN1 AC180578 [1,0,0,1,0,0|1,0,0]=3 82 B9R1.6 OC(=O)[C@H]1CNCCN1 AC181744 [1,0,0,1,0,0|2,0,0]=4 83 B9R1.13 C1C[C@@H](CC(=O)O)NC1 LN00338388 [1,0,0,1,0,0|1,0,0]=3 84 B9R1.13 C1C[C@@H](CC(=O)O)NC1 LN01365844 [1,0,0,1,0,0|1,0,0]=3 85 B9R1.13 C1C[C@H](CC(=O)O)NC1 LN02056031 [1,0,0,1,0,0|1,0,0]=3 86 B9R1.13 CC(=O)NC1CCCC1 AC050483 [1,0,0,1,0,0|2,0,0]=4 87 B9R1.13 OC(=O)CC1CCCC1 AC500174 [1,0,0,1,0,0|0,0,0]=2 88 B9R1.13 OC(=O)CN1CCCC1 AC190107 [1,0,0,1,0,0|1,0,0]=3 89 B9R1.13 OC(=O)CN1CCCC1 AC512039 [1,0,0,1,0,0|1,0,0]=3 90 B9R1.41 CN1CCC[C@@H]1C(O)=O AC170043 [1,0,0,1,0,0|1,0,0]=3 91 B9R1.41 CN1CCC[C@@H]1C(O)=O AC170136 [1,0,0,1,0,0|1,0,0]=3 92 B9R1.41 CN1CCC[C@H]1C(O)=O AC180772 [1,0,0,1,0,0|1,0,0]=3 93 B9R1.84 OC(=O)CCN1CCC1 AC051164 [1,0,0,1,0,0|1,0,0]=3 94 B11R1.91 OC(=O)CCC1CCNCC1 AC050432 [0,1,0,1,0,0|0,0,0]=2 95 B11R1.509 OS(=O)(=O)NC1CCCCC1 HY-B0541 [0,1,0,1,0,0|2,0,0]=4 96 B11R1.20 C1C[C@@H](CC[C@H]1CC(=O)O)N LN02009912 [0,1,0,1,0,0|0,0,0]=2 97 B11R1.20 CN1CCN(CC(O)=O)CC1 AC181681 [0,1,0,1,0,0|2,0,0]=4 98 B11R1.25 COC(=O)CNC1CCCC1 AC182744 [0,1,0,1,0,0|1,0,0]=3 99 B11R1.40 COC(=O)CC1CCCNC1 AC182538 [0,1,0,1,0,0|1,0,0]=3 100 B11R1.40 COC(=O)CC1CCNCC1 AC170095 [0,1,0,1,0,0|1,0,0]=3 101 B11R1.40 COC(=O)CC1CCOCC1 AC170116 [0,1,0,1,0,0|1,0,0]=3 102 B11R1.40 COC(=O)CC1CNCCO1 AC320009 [0,1,0,1,0,0|2,0,0]=4 103 B11R1.36 NC(C1CCOCC1)C(O)=O AC050960 [0,1,0,1,0,0|1,0,0]=3 104 B11R1.36 N[C@@H](C1CCCCC1)C(O)=O AC021651 [0,1,0,1,0,0|0,0,0]=2 105 B11R1.36 N[C@@H](C1CCOCC1)C(O)=O AC050556 [0,1,0,1,0,0|1,0,0]=3 106 B11R1.36 N[C@H](C1CCCCC1)C(O)=O AC181202 [0,1,0,1,0,0|0,0,0]=2 107 B11R1.36 N[C@H](C1CCOCC1)C(O)=O AC050761 [0,1,0,1,0,0|1,0,0]=3 108 B11R1.178 CC(=O)N1CCC[C@H]1C(O)=O AC190273 [0,1,0,1,0,0|1,0,1]=4 109 B11R1.178 OC(=O)C1CCCC1C(O)=O AC020821 [0,1,0,1,0,0|1,0,1]=4 110 B11R2.1 O=C1OC[C@@H]2CNCCN12 AC170030 [0,0,0,2,0,0|2,0,0]=4 111 B11R2.202 O=C1OC(=O)C2CCCC12 AC020820 [0,0,0,2,0,0|1,0,1]=4 112 B11R2.845 OC(=O)C1CC2CCC1C2 AC020797 [0,0,0,2,0,0|0,0,0]=2