0 B9R0.13 CCCCC(C(=O)O)NC PI-43569 [0,0,0,0,0,0|3,0,0]=3 1 B9R0.13 CCCCC(CC)C(=O)Cl PI-49162 [0,0,0,0,0,0|2,0,0]=2 2 B9R0.13 CCCCC(CC)C(=O)[O-] PI-12342 [0,0,0,0,0,0|2,0,0]=2 3 B9R0.13 CCCCC(CC)C(=O)[O-] PI-12343 [0,0,0,0,0,0|2,0,0]=2 4 B9R0.13 CNC(CCCN)C(=O)O PI-43554 [0,0,0,0,0,0|4,0,0]=4 5 B9R0.13 CNC(CCCN)C(=O)O PI-43900 [0,0,0,0,0,0|4,0,0]=4 6 B8R0.8 C(CC(C(=O)O)N)CN PI-15758 [1,0,0,0,0,0|3,0,0]=4 7 B8R0.8 C(CC(C(=O)O)N)CN PI-42140 [1,0,0,0,0,0|3,0,0]=4 8 B8R0.8 CCCCC(=O)C(=O)O PI-50172 [1,0,0,0,0,0|1,0,2]=4 9 B8R0.8 CCCCC(C(=O)O)Br PI-44233 [1,0,0,0,0,0|2,0,0]=3 10 B8R0.8 CSCCC(C(=O)O)N PI-16565 [1,0,0,0,0,0|3,0,0]=4 11 B8R0.8 C[Se]CC[C@H](N)C(=O)O PI-31833 [1,0,0,0,0,0|3,0,0]=4 12 B8R0.8 N[C@H](C(=O)O)CCCN PI-31147 [1,0,0,0,0,0|3,0,0]=4 13 B8R0.11 CCC\C=C(/CC)\C=O PI-50386 [1,0,0,0,0,0|1,0,2]=4 14 B8R0.15 CCCC(C(=O)O)NC PI-43602 [1,0,0,0,0,0|3,0,0]=4 15 B8R0.15 CCCC(C(=O)O)NC PI-43851 [1,0,0,0,0,0|3,0,0]=4 16 B8R0.15 CCCC(CC)C(=O)O PI-50173 [1,0,0,0,0,0|2,0,0]=3 17 B10R0.17 CCCCC(C(=O)O)C(=O)O PI-12054 [0,1,0,0,0,0|1,0,1]=3 18 B10R0.86 CNC(CCCCN)C(=O)O PI-43859 [0,1,0,0,0,0|3,0,0]=4 19 B10R0.101 CCC(C(=O)C)C(=O)OCC PI-11567 [0,1,0,0,0,0|2,0,1]=4 20 B10R1.13 C1CC(CCC1C(=O)O)O PI-41501 [0,0,0,1,0,0|3,0,0]=4 21 B10R1.13 CC(=O)N1CCC(CC1)O PI-43312 [0,0,0,1,0,0|3,0,0]=4 22 B10R1.13 CN1CCC(CC1)C(=O)O PI-24582 [0,0,0,1,0,0|3,0,0]=4 23 B10R1.13 NC1CCC(CC1)C(=O)O PI-17553 [0,0,0,1,0,0|3,0,0]=4 24 B10R1.13 NC1CCC(CC1)C(=O)O PI-36878 [0,0,0,1,0,0|3,0,0]=4 25 B10R1.29 CCCCN1CCCC1=O PI-50565 [0,0,0,1,0,0|2,0,0]=3 26 B10R1.29 NCCCN1CCCC1=O PI-17919 [0,0,0,1,0,0|3,0,0]=4 27 B10R1.61 CN(C)C1CCCCC1N PI-33728 [0,0,0,1,0,0|3,0,0]=4 28 B10R1.61 CN1CCCCC1C(=O)O PI-25389 [0,0,0,1,0,0|3,0,0]=4 29 B10R1.348 C1CCCC(CC1)C(=O)O PI-20907 [0,0,0,1,0,0|2,0,0]=3 30 B10R1.348 CC(=O)N1CCNCCC1 PI-29781 [0,0,0,1,0,0|3,0,0]=4 31 B10R0.87 CC(=O)OC(CCCBr)CBr PI-25318 [0,0,0,0,0,1|2,0,0]=3 32 B7R0.4 BrCCCCC(=O)Cl PI-15616 [2,0,0,0,0,0|2,0,0]=4 33 B7R0.4 BrCCCCC(=O)O PI-11341 [2,0,0,0,0,0|2,0,0]=4 34 B7R0.4 C(CCBr)CC(=O)[O-] PI-41801 [2,0,0,0,0,0|2,0,0]=4 35 B7R0.4 C(CCCl)CC(=O)Cl PI-44721 [2,0,0,0,0,0|2,0,0]=4 36 B7R0.4 CC(=O)CCCCCl PI-28023 [2,0,0,0,0,0|1,0,0]=3 37 B7R0.4 CCCCC[C@@H](C)O PI-49829 [2,0,0,0,0,0|0,0,2]=4 38 B7R0.4 CCCOCC(=O)O PI-32592 [2,0,0,0,0,0|2,0,0]=4 39 B7R0.4 COCCOC(=O)C PI-12910 [2,0,0,0,0,0|2,0,0]=4 40 B7R0.4 NCCCCC(=O)O PI-30804 [2,0,0,0,0,0|2,0,0]=4 41 B7R0.4 OC(=O)CCCCN PI-40783 [2,0,0,0,0,0|2,0,0]=4 42 B7R0.5 C(CN)C(C(=O)O)O PI-16049 [2,0,0,0,0,0|2,0,0]=4 43 B7R0.5 CCCC(C(=O)O)Br PI-44608 [2,0,0,0,0,0|2,0,0]=4 44 B7R0.5 CCCC(C(=O)O)N PI-13494 [2,0,0,0,0,0|2,0,0]=4 45 B7R0.5 CCC[C@H](C(=O)O)N PI-39155 [2,0,0,0,0,0|2,0,0]=4 46 B7R0.12 CCCC(CO)CO PI-44018 [2,0,0,0,0,0|0,0,2]=4 47 B7R0.15 CCC(CC)C(=O)[O-] PI-26914 [2,0,0,0,0,0|2,0,0]=4 48 B7R0.15 CNC(CO)C(=O)O PI-43688 [2,0,0,0,0,0|2,0,0]=4 49 B9R0.6 CCOC(=O)C(C)C(=O)C PI-33892 [1,1,0,0,0,0|1,0,1]=4 50 B9R0.7 N[C@@H](CCC(C)C)C(O)=O PI-37204 [1,1,0,0,0,0|2,0,0]=4 51 B9R0.8 CCCCC(C(=O)OC)Br PI-12723 [1,1,0,0,0,0|1,0,0]=3 52 B9R0.8 COC(=O)C(CCCBr)Br PI-32636 [1,1,0,0,0,0|2,0,0]=4 53 B9R0.8 COC(=O)C(CCSC)N PI-25385 [1,1,0,0,0,0|2,0,0]=4 54 B9R0.8 COC(=O)C(CCSC)N PI-44538 [1,1,0,0,0,0|2,0,0]=4 55 B9R0.47 C(CCN)CC(C(=O)O)N PI-14281 [1,1,0,0,0,0|2,0,0]=4 56 B9R0.47 CCCCCC(N)C(=O)O PI-17287 [1,1,0,0,0,0|2,0,0]=4 57 B9R0.47 CCSCCC(C(=O)O)N PI-38397 [1,1,0,0,0,0|2,0,0]=4 58 B9R0.47 NCCCC[C@@H](N)C(=O)O PI-14280 [1,1,0,0,0,0|2,0,0]=4 59 B9R0.47 NCCCC[C@H](C(=O)O)N PI-22775 [1,1,0,0,0,0|2,0,0]=4 60 B9R0.47 O=C(O)[C@@H](N)CCCCN PI-41533 [1,1,0,0,0,0|2,0,0]=4 61 B9R0.51 CCCCC(C)(C)C(=O)O PI-21952 [1,1,0,0,0,0|1,0,0]=3 62 B9R0.15 CCCC(C(=O)O)CCC PI-21725 [1,1,0,0,0,0|2,0,0]=4 63 B9R0.15 CCCC(C(=O)[O-])CCC PI-12918 [1,1,0,0,0,0|2,0,0]=4 64 B9R0.15 CCCC(CCC)C(=O)O PI-12993 [1,1,0,0,0,0|2,0,0]=4 65 B9R0.33 CCCC(C(=O)O)C(=O)O PI-12068 [1,1,0,0,0,0|1,0,1]=4 66 B11R0.160 CC(=O)NC(CCSC)C(=O)O PI-14254 [0,1,0,0,0,1|1,0,1]=4 67 B11R0.160 CC(=O)NC(CCSC)C(=O)O PI-25048 [0,1,0,0,0,1|1,0,1]=4 68 B11R0.160 CCCCC(C(=O)O)NC(=O)C PI-26897 [0,1,0,0,0,1|0,0,1]=3 69 B11R0.160 CSCC[C@@H](C(=O)O)NC(=O)C PI-10057 [0,1,0,0,0,1|1,0,1]=4 70 B9R1.5 C1CCNC(=O)C(C1)N PI-27340 [1,0,0,1,0,0|2,0,0]=4 71 B9R1.5 C1CCNC(=O)C(C1)N PI-48189 [1,0,0,1,0,0|2,0,0]=4 72 B9R1.5 CN1CCCCCC1=O PI-15330 [1,0,0,1,0,0|1,0,0]=3 73 B9R1.5 CN1CCCNCC1=O PI-34063 [1,0,0,1,0,0|2,0,0]=4 74 B9R1.5 CN1CCNCCC1=O PI-41772 [1,0,0,1,0,0|2,0,0]=4 75 B9R1.6 C1CC(CNC1)C(=O)N PI-33281 [1,0,0,1,0,0|2,0,0]=4 76 B9R1.6 C1CC(CNC1)C(=O)O PI-21884 [1,0,0,1,0,0|2,0,0]=4 77 B9R1.6 C1CC(CNC1)C(=O)O PI-25607 [1,0,0,1,0,0|2,0,0]=4 78 B9R1.6 C1CCC(CC1)C(=O)N PI-30065 [1,0,0,1,0,0|1,0,0]=3 79 B9R1.6 C1CCN(CC1)C(=O)O PI-13305 [1,0,0,1,0,0|2,0,0]=4 80 B9R1.6 C1CCNC(C1)C(=O)O PI-16483 [1,0,0,1,0,0|2,0,0]=4 81 B9R1.6 C1CNCCC1C(=O)O PI-10271 [1,0,0,1,0,0|2,0,0]=4 82 B9R1.6 C1CNCCC1C(=O)O PI-32117 [1,0,0,1,0,0|2,0,0]=4 83 B9R1.6 C1COC(CO1)C(=O)O PI-41690 [1,0,0,1,0,0|2,0,0]=4 84 B9R1.6 C1COCCC1C(=O)N PI-40557 [1,0,0,1,0,0|2,0,0]=4 85 B9R1.6 C1CSCCC1C(=O)O PI-48819 [1,0,0,1,0,0|2,0,0]=4 86 B9R1.6 CC(=O)C1=CCCCC1 PI-26979 [1,0,0,1,0,0|0,0,2]=4 87 B9R1.6 CC(=O)N1CCNCC1 PI-24100 [1,0,0,1,0,0|2,0,0]=4 88 B9R1.6 CC(=O)N1CCOCC1 PI-32154 [1,0,0,1,0,0|2,0,0]=4 89 B9R1.6 CC(C1CCCCC1)N PI-43987 [1,0,0,1,0,0|1,0,1]=4 90 B9R1.6 CC(C1CCCCC1)N PI-44012 [1,0,0,1,0,0|1,0,1]=4 91 B9R1.6 CC(C1CCCCC1)N PI-44013 [1,0,0,1,0,0|1,0,1]=4 92 B9R1.6 CC(C1CCOCC1)=O PI-42683 [1,0,0,1,0,0|1,0,0]=3 93 B9R1.6 NC(=O)C1CCNCC1 PI-31480 [1,0,0,1,0,0|2,0,0]=4 94 B9R1.6 O=C(Cl)C1CCOCC1 PI-41795 [1,0,0,1,0,0|2,0,0]=4 95 B9R1.6 OC(=O)C1CCCCC1 PI-34204 [1,0,0,1,0,0|1,0,0]=3 96 B9R1.6 OC(=O)C1CCCCN1 PI-16286 [1,0,0,1,0,0|2,0,0]=4 97 B9R1.6 OC(=O)C1CCCOC1 PI-39358 [1,0,0,1,0,0|2,0,0]=4 98 B9R1.6 OC(=O)[C@@H]1CCCCN1 PI-10137 [1,0,0,1,0,0|2,0,0]=4 99 B9R1.6 OC(=O)[C@H]1CCCCN1 PI-10136 [1,0,0,1,0,0|2,0,0]=4 100 B9R1.6 OC(=O)[C@H]1CCCNC1 PI-21885 [1,0,0,1,0,0|2,0,0]=4 101 B9R1.35 C1CC(CC1C(=O)O)N PI-17015 [1,0,0,1,0,0|2,0,0]=4 102 B9R1.35 CC(=O)N1CC[C@@H](C1)N PI-40973 [1,0,0,1,0,0|2,0,0]=4 103 B9R1.35 CC(=O)N1CC[C@H](C1)N PI-40974 [1,0,0,1,0,0|2,0,0]=4 104 B9R1.110 C1CC(C1)C(C(=O)O)N PI-43724 [1,0,0,1,0,0|2,0,0]=4 105 B9R1.110 C1CC(C1)C(C(=O)O)N PI-43790 [1,0,0,1,0,0|2,0,0]=4 106 B9R1.110 C1CC(C1)C(C(=O)O)N PI-43791 [1,0,0,1,0,0|2,0,0]=4 107 B9R1.112 C1CC1CC(C(=O)O)N PI-43446 [1,0,0,1,0,0|2,0,0]=4 108 B9R1.112 N[C@H](C(=O)O)CC1CC1 PI-21863 [1,0,0,1,0,0|2,0,0]=4 109 B9R1.163 C1CCC(C1)(C(=O)N)N PI-12587 [1,0,0,1,0,0|2,0,0]=4 110 B9R1.163 C1CCC(C1)(C(=O)O)N PI-30681 [1,0,0,1,0,0|2,0,0]=4 111 B9R1.163 CC1(CCCN1)C(=O)O PI-41289 [1,0,0,1,0,0|2,0,0]=4 112 B9R1.163 OC(=O)C1(C)COCC1 PI-39236 [1,0,0,1,0,0|2,0,0]=4 113 B9R1.163 OC(=O)[C@]1(C)CCCN1 PI-41288 [1,0,0,1,0,0|2,0,0]=4 114 B9R1.1 OCC1CCN(C)CC1 PI-27324 [1,0,0,1,0,0|1,0,1]=4 115 B9R1.15 C1CCC(=O)C(C1)C#N PI-14655 [1,0,0,1,0,0|1,0,1]=4 116 B9R1.15 CN1CCCCC1CO PI-43934 [1,0,0,1,0,0|1,0,0]=3 117 B9R1.15 COC1CCCCC1=O PI-28180 [1,0,0,1,0,0|2,0,0]=4 118 B9R1.204 NCC1(CO)CCCC1 PI-36303 [1,0,0,1,0,0|1,0,1]=4 119 B9R1.41 C1CC(C(C1)N)C(=O)O PI-36305 [1,0,0,1,0,0|2,0,0]=4 120 B11R1.20 CC(=O)OC1CCN(CC1)C PI-34756 [0,0,0,1,0,1|2,0,0]=4 121 B11R1.20 OC1CCC(CC1)NC(=O)C PI-39206 [0,0,0,1,0,1|2,0,0]=4 122 B11R1.230 CC1CC(=O)OC1CCCC PI-27552 [0,0,0,1,0,1|1,0,0]=3 123 B11R1.166 CC1CCC(C(=O)C1)C(C)C PI-41659 [0,1,0,1,0,0|1,0,0]=3 124 B11R1.166 CC1CCC(C(C1)O)C(C)C PI-41648 [0,1,0,1,0,0|1,0,1]=4 125 B11R1.22 COC(=O)C1CCC(CC1)N PI-48372 [0,1,0,1,0,0|2,0,0]=4 126 B11R1.22 COC(=O)C1CCC(CC1)O PI-49430 [0,1,0,1,0,0|2,0,0]=4 127 B11R1.22 COC(=O)[C@@H]1CC[C@@H](CC1)N PI-38435 [0,1,0,1,0,0|2,0,0]=4 128 B11R1.222 COC(=O)[C@@H]1CCCC[C@H]1N PI-49239 [0,1,0,1,0,0|1,0,0]=3 129 B11R1.381 CCN1CCCC[C@H](N)C1=O PI-15891 [0,1,0,1,0,0|2,0,0]=4 130 B11R1.3 C1CC(CCC1CO)C(=O)O PI-43268 [0,1,0,1,0,0|2,0,0]=4 131 B11R1.3 CC(=O)N1CCC(CC1)NC PI-43155 [0,1,0,1,0,0|2,0,0]=4 132 B11R1.3 CC(N1CCC(CO)CC1)=O PI-42690 [0,1,0,1,0,0|2,0,0]=4 133 B11R1.3 CCC1CCC(CC1)C(=O)O PI-27846 [0,1,0,1,0,0|2,0,0]=4 134 B11R1.3 CCN1CCC(CC1)C(=O)O PI-43354 [0,1,0,1,0,0|2,0,0]=4 135 B11R1.3 NC[C@@H]1CC[C@H](CC1)C(=O)O PI-38009 [0,1,0,1,0,0|2,0,0]=4 136 B11R2.845 [O-]C(C1CC2CCC1C2)=O PI-48100 [0,0,0,2,0,0|2,0,0]=4 137 B9R0.4 CCCCC(=O)CC(=O)C PI-36799 [1,0,0,0,0,1|0,0,2]=4