0 B8R0.9 CCC(C)CCC(O)=O PI-37097 [0,0,0,0,0,0|1,0,2]=3 1 B8R0.9 NCC(=O)CCC(=O)O PI-10027 [0,0,0,0,0,0|2,0,2]=4 2 B7R0.4 BrCCCCC(=O)Cl PI-15616 [1,0,0,0,0,0|2,0,1]=4 3 B7R0.4 BrCCCCC(=O)O PI-11341 [1,0,0,0,0,0|1,0,1]=3 4 B7R0.4 C#CCCCC(O)=O PI-37286 [1,0,0,0,0,0|0,0,2]=3 5 B7R0.4 C(CCBr)CC(=O)[O-] PI-41801 [1,0,0,0,0,0|1,0,2]=4 6 B7R0.4 C(CCCl)CC(=O)Cl PI-44721 [1,0,0,0,0,0|2,0,1]=4 7 B7R0.4 C(CNCC(=O)O)N PI-47160 [1,0,0,0,0,0|2,0,1]=4 8 B7R0.4 CC(=O)CCCCCl PI-28023 [1,0,0,0,0,0|2,0,1]=4 9 B7R0.4 CCCOCC(=O)O PI-32592 [1,0,0,0,0,0|1,0,2]=4 10 B7R0.4 NCCCCC(=O)O PI-30804 [1,0,0,0,0,0|1,0,1]=3 11 B7R0.4 O=C(O)CNCC=C PI-37297 [1,0,0,0,0,0|1,0,0]=2 12 B7R0.4 OC(=O)CCCCN PI-40783 [1,0,0,0,0,0|1,0,1]=3 13 B7R0.6 C(C[N+](=O)[O-])C(=O)O PI-41737 [1,0,0,0,0,0|3,0,0]=4 14 B7R0.6 CC(C)CCC(=O)O PI-25767 [1,0,0,0,0,0|1,0,1]=3 15 B7R0.6 C[S+](C)CCC(=O)O PI-45961 [1,0,0,0,0,0|2,0,1]=4 16 B9R0.7 C(CC(=O)N)C(C(=O)O)N PI-15754 [0,1,0,0,0,0|2,0,0]=3 17 B9R0.7 C(CC(=O)N)C(C(=O)O)N PI-15955 [0,1,0,0,0,0|2,0,0]=3 18 B9R0.7 C(CC(=O)O)C(=O)C(=O)O PI-34101 [0,1,0,0,0,0|2,0,1]=4 19 B9R0.7 C(CC(=O)O)C(C(=O)O)N PI-10055 [0,1,0,0,0,0|1,0,0]=2 20 B9R0.7 C(CC(=O)O)C(C(=O)O)N PI-15753 [0,1,0,0,0,0|1,0,0]=2 21 B9R0.7 CS(=O)CCC(C(=O)O)N PI-17903 [0,1,0,0,0,0|3,0,0]=4 22 B9R0.7 NC(=O)NC[C@H](N)C(=O)O PI-27194 [0,1,0,0,0,0|3,0,0]=4 23 B9R0.7 OC(=O)CCC(=O)C(=O)[O-] PI-13145 [0,1,0,0,0,0|2,0,1]=4 24 B9R0.23 CCC(C)C(CC(=O)O)N PI-43670 [0,1,0,0,0,0|1,0,2]=4 25 B9R1.1 O=CC1CCC(CC1)=O PI-36571 [0,0,0,1,0,0|3,0,0]=4 26 B9R1.35 C1=C(OC(=C1)N)C(=O)O PI-19351 [0,0,0,1,0,0|1,0,2]=4 27 B9R1.35 C1C(C=CC1N)C(=O)O PI-17016 [0,0,0,1,0,0|0,0,0]=1 28 B9R1.35 C1C(CNC1C(=O)O)F PI-34564 [0,0,0,1,0,0|2,0,1]=4 29 B9R1.35 C1C(CNC1C(=O)O)F PI-34565 [0,0,0,1,0,0|2,0,1]=4 30 B9R1.35 C1C(CNC1C(=O)O)F PI-34566 [0,0,0,1,0,0|2,0,1]=4 31 B9R1.35 C1C(CNC1C(=O)O)O PI-14276 [0,0,0,1,0,0|2,0,1]=4 32 B9R1.35 C1C(CNC1C(=O)O)O PI-15465 [0,0,0,1,0,0|2,0,1]=4 33 B9R1.35 C1CC(CC1C(=O)O)N PI-17015 [0,0,0,1,0,0|0,0,2]=3 34 B9R1.35 C1[C@H](CN[C@H]1C(=O)O)F PI-48932 [0,0,0,1,0,0|2,0,1]=4 35 B9R1.35 C1[C@H](CN[C@H]1C(=O)O)O PI-48947 [0,0,0,1,0,0|2,0,1]=4 36 B9R1.35 O=[C@@](O)[C@@H]1NC[C@@H](O)C1 PI-37073 [0,0,0,1,0,0|2,0,1]=4 37 B9R1.35 O[C@@H]1CN[C@@H](C1)C(=O)O PI-15464 [0,0,0,1,0,0|2,0,1]=4 38 B9R1.35 O[C@@H]1CN[C@H](C1)C(=O)O PI-15466 [0,0,0,1,0,0|2,0,1]=4 39 B9R1.69 C1CC(=O)NC(=O)C1N PI-40871 [0,0,0,1,0,0|2,0,0]=3 40 B9R1.84 C1CC(C1)CCC(=O)O PI-33316 [0,0,0,1,0,0|1,0,2]=4 41 B7R0.2 C(C(CO)N)C(=O)O PI-43547 [0,0,0,0,1,0|1,0,1]=3 42 B7R0.2 NCC(CC(=O)O)O PI-16027 [0,0,0,0,1,0|2,0,1]=4 43 B7R0.2 NC[C@@H](CC(=O)O)O PI-22701 [0,0,0,0,1,0|2,0,1]=4 44 B7R0.2 OC[C@H](CC(=O)O)N PI-39557 [0,0,0,0,1,0|1,0,1]=3 45 B6R0.1 CCCC(C=C)O PI-15324 [2,0,0,0,0,0|1,0,1]=4 46 B6R0.4 C#CCCC(=O)O PI-30018 [2,0,0,0,0,0|0,0,2]=4 47 B6R0.4 C(C(=O)O)NC=O PI-33231 [2,0,0,0,0,0|2,0,0]=4 48 B6R0.4 C(CC(=O)O)C#N PI-35487 [2,0,0,0,0,0|0,0,2]=4 49 B6R0.4 CC=CCC(=O)O PI-47130 [2,0,0,0,0,0|0,0,2]=4 50 B6R0.4 CCCCC(=O)[O-] PI-46856 [2,0,0,0,0,0|0,0,2]=4 51 B6R0.4 CCNCC(=O)O PI-43211 [2,0,0,0,0,0|1,0,1]=4 52 B6R0.4 CSCCC(=O)O PI-31992 [2,0,0,0,0,0|1,0,1]=4 53 B6R0.4 ClCCCC(=O)C PI-39487 [2,0,0,0,0,0|2,0,0]=4 54 B6R0.4 NCCCC(=O)O PI-35917 [2,0,0,0,0,0|0,0,0]=2 55 B6R0.4 O=C(O)CCCBr PI-40017 [2,0,0,0,0,0|1,0,0]=3 56 B6R0.4 O=C(O)CCCCl PI-41227 [2,0,0,0,0,0|1,0,0]=3 57 B6R0.4 OCCCC(=O)C PI-13555 [2,0,0,0,0,0|2,0,0]=4 58 B6R0.6 BrCCCCC=C PI-39147 [2,0,0,0,0,0|1,0,1]=4 59 B6R0.6 C=CCNCC=C PI-47080 [2,0,0,0,0,0|2,0,0]=4 60 B6R0.6 ClCCCCC=O PI-34745 [2,0,0,0,0,0|1,0,1]=4 61 B8R0.6 C(CC=O)CC(C=O)O PI-42094 [1,1,0,0,0,0|2,0,0]=4 62 B8R0.5 C#CCC(CC(=O)O)N PI-43720 [1,1,0,0,0,0|0,0,2]=4 63 B8R0.5 C#CCC(CC(=O)O)N PI-43746 [1,1,0,0,0,0|0,0,2]=4 64 B8R0.5 C=CCC(CC(=O)O)N PI-43713 [1,1,0,0,0,0|0,0,0]=2 65 B8R0.5 C=CCC(CC(=O)O)N PI-43890 [1,1,0,0,0,0|0,0,0]=2 66 B8R0.7 BrCCCCCC(=O)O PI-26630 [1,1,0,0,0,0|0,0,2]=4 67 B8R0.7 CC(=CCCCC=C)C PI-39645 [1,1,0,0,0,0|2,0,0]=4 68 B8R0.7 O=C(O)CCCCCN PI-41159 [1,1,0,0,0,0|0,0,2]=4 69 B8R0.7 O=C(O)COCCCC PI-32593 [1,1,0,0,0,0|0,0,2]=4 70 B8R0.28 C(CC(=O)Cl)CC(=O)Cl PI-46857 [1,1,0,0,0,0|2,0,0]=4 71 B8R0.28 CC(=O)CCCC(=O)C PI-42581 [1,1,0,0,0,0|1,0,1]=4 72 B8R0.28 CC(=O)NCCC(=O)O PI-26539 [1,1,0,0,0,0|1,0,1]=4 73 B8R0.28 CN(C)CCCC(=O)O PI-29854 [1,1,0,0,0,0|1,0,1]=4 74 B8R0.28 NC(=N)NCCC(=O)O PI-11247 [1,1,0,0,0,0|2,0,0]=4 75 B8R0.23 CC(C(CC(=O)O)N)O PI-43592 [1,1,0,0,0,0|1,0,1]=4 76 B8R0.23 CC(C)CC(Br)C(O)=O PI-40045 [1,1,0,0,0,0|1,0,1]=4 77 B8R0.23 CC(C)CC(C(=O)O)N PI-14720 [1,1,0,0,0,0|1,0,1]=4 78 B8R0.23 CC(C)CC(C(=O)O)O PI-45798 [1,1,0,0,0,0|1,0,1]=4 79 B8R0.23 CC(C)CC(N)C(=O)O PI-25447 [1,1,0,0,0,0|1,0,1]=4 80 B8R0.23 CC(C)[C@@H](CC(=O)O)N PI-48270 [1,1,0,0,0,0|1,0,1]=4 81 B8R0.23 N[C@H](C(=O)O)CC(C)C PI-15734 [1,1,0,0,0,0|1,0,1]=4 82 B8R0.29 C(CC(F)(F)F)C(=O)O PI-40185 [1,1,0,0,0,0|2,0,0]=4 83 B10R0.98 C(CC(C(=O)O)N)CC(=O)O PI-17860 [0,1,0,0,0,1|1,0,0]=3 84 B10R0.98 OC(=O)CCC[C@@H](C(=O)O)N PI-27075 [0,1,0,0,0,1|1,0,0]=3 85 B10R0.98 OC(=O)CCC[C@H](C(=O)O)N PI-14324 [0,1,0,0,0,1|1,0,0]=3 86 B10R0.98 OC(=O)CSC[C@@H](C(=O)O)N PI-12973 [0,1,0,0,0,1|1,0,0]=3 87 B10R0.43 O=C(O)C(C)(C)CCC(O)=O PI-37344 [0,2,0,0,0,0|2,0,0]=4 88 B10R0.84 CNC(CCC(=O)O)C(=O)O PI-43843 [0,2,0,0,0,0|1,0,0]=3 89 B10R0.92 C(CS(=O)(=O)O)C(C(=O)O)N PI-47158 [0,2,0,0,0,0|2,0,0]=4 90 B10R0.93 C(C(C(=O)O)N)C(C(=O)O)F PI-19979 [0,2,0,0,0,0|1,0,0]=3 91 B10R0.26 N[C@@H](CS(=O)CC=C)C(=O)O PI-29701 [0,2,0,0,0,0|2,0,0]=4 92 B10R0.96 C(CC(=O)O)C(CC(=O)O)N PI-43828 [0,2,0,0,0,0|0,0,1]=3 93 B8R1.1 C1C(C=CC1N)CO PI-35187 [1,0,0,1,0,0|0,0,1]=3 94 B8R1.1 C1CC(=O)NC1CO PI-35695 [1,0,0,1,0,0|1,0,1]=4 95 B8R1.1 C=CC1CCC(=O)N1 PI-36755 [1,0,0,1,0,0|0,0,0]=2 96 B8R1.1 OC[C@@H]1CCC(=O)N1 PI-35779 [1,0,0,1,0,0|1,0,1]=4 97 B8R1.50 O=C1C(N)CCN1O PI-36170 [1,0,0,1,0,0|2,0,0]=4 98 B8R1.4 C1C(=O)OC(=O)CS1 PI-30475 [1,0,0,1,0,0|2,0,0]=4 99 B8R1.4 C1CC(=CC(=O)C1)N PI-30679 [1,0,0,1,0,0|2,0,0]=4 100 B8R1.4 C1CC(=O)NC(=O)C1 PI-44532 [1,0,0,1,0,0|2,0,0]=4 101 B8R1.4 O=C1CCCC(=O)C1 PI-32070 [1,0,0,1,0,0|2,0,0]=4 102 B8R1.4 O=C1CCC[C@@H](C)O1 PI-27587 [1,0,0,1,0,0|0,0,2]=4 103 B8R1.4 O=C1COCC(=O)O1 PI-29602 [1,0,0,1,0,0|2,0,0]=4 104 B8R1.7 C1C=CCC1C(=O)O PI-33725 [1,0,0,1,0,0|0,0,2]=4 105 B8R1.7 C1CC(NC1)C(=O)O PI-44957 [1,0,0,1,0,0|1,0,1]=4 106 B8R1.7 C1CC(OC1)C(=O)O PI-31322 [1,0,0,1,0,0|1,0,1]=4 107 B8R1.7 C1CC(OC1)C(=O)O PI-31323 [1,0,0,1,0,0|1,0,1]=4 108 B8R1.7 C1CC=C(C1)C(=O)O PI-30173 [1,0,0,1,0,0|0,0,2]=4 109 B8R1.7 C1CNCC1C(=O)O PI-25815 [1,0,0,1,0,0|1,0,1]=4 110 B8R1.7 C1COC=C1C(=O)O PI-48370 [1,0,0,1,0,0|1,0,1]=4 111 B8R1.7 C1COCC1C(=O)O PI-42680 [1,0,0,1,0,0|1,0,1]=4 112 B8R1.7 OC(=O)C1CCCC1 PI-39143 [1,0,0,1,0,0|0,0,2]=4 113 B8R1.7 OC(=O)C1CCCO1 PI-33719 [1,0,0,1,0,0|1,0,1]=4 114 B8R1.7 OC(=O)C1CNCC1 PI-36920 [1,0,0,1,0,0|1,0,1]=4 115 B8R1.7 OC(=O)[C@H]1CCCN1 PI-31157 [1,0,0,1,0,0|1,0,1]=4 116 B8R1.7 OC(=O)[C@H]1NCC=C1 PI-38250 [1,0,0,1,0,0|1,0,0]=3 117 B8R1.23 N[C@@H]1C[C@H](C1)C(=O)O PI-39343 [1,0,0,1,0,0|0,0,1]=3 118 B8R1.23 O=C([C@H]1C[C@@H](O)C1)O PI-41738 [1,0,0,1,0,0|1,0,1]=4 119 B8R1.77 C1C(C1(F)F)C(=O)O PI-43181 [1,0,0,1,0,0|2,0,0]=4 120 B10R1.13 NC1CCC(CC1)C(=O)O PI-17553 [0,0,0,1,0,1|0,0,2]=4 121 B10R1.13 NC1CCC(CC1)C(=O)O PI-36878 [0,0,0,1,0,1|0,0,2]=4 122 B10R1.113 C1CC(CC(C1)N)C(=O)O PI-30392 [0,1,0,1,0,0|0,0,2]=4 123 B10R1.66 C1=CSC(=N1)CCC(=O)O PI-24109 [0,1,0,1,0,0|0,0,2]=4 124 B10R1.66 C1=NN(C=N1)CCC(=O)O PI-19898 [0,1,0,1,0,0|1,0,1]=4 125 B10R1.66 OC(=O)CCc1cccs1 PI-24513 [0,1,0,1,0,0|1,0,1]=4 126 B6R0.2 CC(CC(=O)O)N PI-35438 [1,0,0,0,1,0|0,0,1]=3 127 B6R0.2 CC(CC(=O)O)N PI-35481 [1,0,0,0,1,0|0,0,1]=3 128 B6R0.2 CC(CC(=O)O)N PI-43821 [1,0,0,0,1,0|0,0,1]=3 129 B6R0.2 CC(CC(=O)O)O PI-47070 [1,0,0,0,1,0|1,0,1]=4 130 B6R0.2 C[C@@H](N)CC(O)=O PI-42153 [1,0,0,0,1,0|0,0,1]=3 131 B6R0.2 C[C@H](N)CC(O)=O PI-35439 [1,0,0,0,1,0|0,0,1]=3 132 B6R0.3 C(C(C(=O)O)N)N PI-31828 [0,0,0,0,2,0|1,0,1]=4 133 B6R0.3 C(C(C(=O)O)N)N PI-35715 [0,0,0,0,2,0|1,0,1]=4 134 B6R0.3 C(C(C(=O)O)N)N PI-35737 [0,0,0,0,2,0|1,0,1]=4 135 B6R0.3 C(C(C(=O)O)N)S PI-15750 [0,0,0,0,2,0|1,0,1]=4 136 B6R0.3 CCC(C(=O)O)N PI-28320 [0,0,0,0,2,0|0,0,2]=4 137 B6R0.3 CCC(C(=O)O)N PI-43844 [0,0,0,0,2,0|0,0,2]=4 138 B6R0.3 CC[C@@H](C(=O)O)N PI-10518 [0,0,0,0,2,0|0,0,2]=4 139 B6R0.3 NC(C(=O)O)CN PI-10165 [0,0,0,0,2,0|1,0,1]=4 140 B6R0.3 NC(C(=O)O)CN PI-35820 [0,0,0,0,2,0|1,0,1]=4 141 B6R0.3 NC(CO)C(O)=O PI-35846 [0,0,0,0,2,0|1,0,1]=4 142 B6R0.3 NC(CS)C(=O)O PI-15748 [0,0,0,0,2,0|1,0,1]=4 143 B6R0.3 N[C@H](C(=O)O)CS PI-36763 [0,0,0,0,2,0|1,0,1]=4 144 B6R0.3 N[C@H](CS)C(=O)O PI-18970 [0,0,0,0,2,0|1,0,1]=4 145 B6R0.3 N[C@H](CS)C(O)=O PI-42401 [0,0,0,0,2,0|1,0,1]=4 146 B6R0.3 OC[C@@H](N)C(=O)O PI-14287 [0,0,0,0,2,0|1,0,1]=4