0 B8R0.23 C(C(C(=O)O)Cl)C(=O)O PI-28489 [0,0,0,0,0,0|3,0,1]=4 1 B8R0.23 C(C(C(=O)O)Cl)C(=O)O PI-28518 [0,0,0,0,0,0|3,0,1]=4 2 B8R0.23 CC(C)CC(=O)C(=O)O PI-14719 [0,0,0,0,0,0|1,0,1]=2 3 B8R0.23 CC(C)CC(=O)C(=O)[O-] PI-13111 [0,0,0,0,0,0|1,0,2]=3 4 B8R0.23 CC(C)CC(=O)C(=O)[O-] PI-19628 [0,0,0,0,0,0|1,0,2]=3 5 B8R0.23 CC(C)CC(Br)C(O)=O PI-40045 [0,0,0,0,0,0|1,0,0]=1 6 B8R0.23 CC(C)CC(C(=O)O)N PI-14720 [0,0,0,0,0,0|0,0,0]=0 7 B8R0.23 CC(C)CC(C(=O)O)O PI-45798 [0,0,0,0,0,0|1,0,0]=1 8 B8R0.23 CC(C)CC(N)C(=O)O PI-25447 [0,0,0,0,0,0|0,0,0]=0 9 B8R0.23 CC(NC(C)=O)C(O)=O PI-26061 [0,0,0,0,0,0|3,0,1]=4 10 B8R0.23 CN(C)CC(C(=O)O)N PI-14917 [0,0,0,0,0,0|1,0,0]=1 11 B8R0.23 C[C@@H](CC(=O)O)C(=O)O PI-48298 [0,0,0,0,0,0|3,0,1]=4 12 B8R0.23 N[C@H](C(=O)O)CC(C)C PI-15734 [0,0,0,0,0,0|0,0,0]=0 13 B8R0.23 O=C(O)[C@H](N)CC(O)=O PI-13091 [0,0,0,0,0,0|2,0,1]=3 14 B8R0.23 OC(=O)CC(C(=O)O)C PI-25606 [0,0,0,0,0,0|3,0,1]=4 15 B8R0.23 [C@H](N)(CS(C)=O)C(O)=O PI-42226 [0,0,0,0,0,0|2,0,0]=2 16 B7R0.2 CC(C)CC(CO)N PI-35868 [1,0,0,0,0,0|0,0,1]=2 17 B7R0.2 OC[C@@H](CC(C)C)N PI-35776 [1,0,0,0,0,0|0,0,1]=2 18 B7R0.2 O\N=C(/N)\CN(C)C PI-36388 [1,0,0,0,0,0|2,0,1]=4 19 B7R0.5 C#CCC(C(=O)O)N PI-43612 [1,0,0,0,0,0|0,0,2]=3 20 B7R0.5 C#CCC(C(=O)O)N PI-43896 [1,0,0,0,0,0|0,0,2]=3 21 B7R0.5 C(CBr)C(C(=O)Br)Br PI-48161 [1,0,0,0,0,0|3,0,0]=4 22 B7R0.5 C(CN)C(C(=O)O)N PI-18265 [1,0,0,0,0,0|1,0,0]=2 23 B7R0.5 C(CN)C(C(=O)O)N PI-18421 [1,0,0,0,0,0|1,0,0]=2 24 B7R0.5 C(CN)C(C(=O)O)N PI-45534 [1,0,0,0,0,0|1,0,0]=2 25 B7R0.5 C(CN)C(C(=O)O)O PI-16049 [1,0,0,0,0,0|2,0,0]=3 26 B7R0.5 C=CCC(C(=O)O)N PI-43236 [1,0,0,0,0,0|0,0,2]=3 27 B7R0.5 C=CCC(C(=O)O)N PI-43396 [1,0,0,0,0,0|0,0,2]=3 28 B7R0.5 CCCC(C(=O)O)Br PI-44608 [1,0,0,0,0,0|1,0,0]=2 29 B7R0.5 CCCC(C(=O)O)N PI-13494 [1,0,0,0,0,0|0,0,0]=1 30 B7R0.5 CCC[C@H](C(=O)O)N PI-39155 [1,0,0,0,0,0|0,0,0]=1 31 B7R0.5 COCC(C(=O)O)N PI-14934 [1,0,0,0,0,0|1,0,0]=2 32 B7R0.5 COCC(C(=O)O)N PI-14935 [1,0,0,0,0,0|1,0,0]=2 33 B7R0.5 CSC[C@@H](C(=O)O)N PI-25076 [1,0,0,0,0,0|1,0,0]=2 34 B7R0.5 NC(CC=C)C(O)=O PI-29913 [1,0,0,0,0,0|0,0,2]=3 35 B7R0.5 NC(CCBr)C(=O)O PI-36244 [1,0,0,0,0,0|1,0,0]=2 36 B7R0.5 NC(CCO)C(O)=O PI-41434 [1,0,0,0,0,0|1,0,0]=2 37 B7R0.5 NC(CCS)C(=O)O PI-27603 [1,0,0,0,0,0|1,0,0]=2 38 B7R0.5 NCCC(C(=O)O)N PI-27828 [1,0,0,0,0,0|1,0,0]=2 39 B7R0.5 N[C@@H](CCS)C(O)=O PI-37318 [1,0,0,0,0,0|1,0,0]=2 40 B7R0.5 N[C@H](C(=O)O)CCBr PI-40811 [1,0,0,0,0,0|1,0,0]=2 41 B7R0.5 O=C(O)[C@@H](N)CSC PI-41817 [1,0,0,0,0,0|1,0,0]=2 42 B7R0.5 OCC[C@H](C(=O)O)N PI-31830 [1,0,0,0,0,0|1,0,0]=2 43 B7R0.5 OCC[C@H](N)C(=O)O PI-14275 [1,0,0,0,0,0|1,0,0]=2 44 B7R0.6 C(C[N+](=O)[O-])C(=O)O PI-41737 [1,0,0,0,0,0|3,0,0]=4 45 B7R0.6 CC(=O)CCC(=O)C PI-48500 [1,0,0,0,0,0|2,0,1]=4 46 B7R0.6 CC(=O)NCC(=O)O PI-33247 [1,0,0,0,0,0|2,0,1]=4 47 B7R0.6 CC(=O)OCC(=O)O PI-26120 [1,0,0,0,0,0|2,0,1]=4 48 B7R0.6 CC(C)CCC(=O)O PI-25767 [1,0,0,0,0,0|0,0,0]=1 49 B7R0.6 CC(C)CCC(C)N PI-49380 [1,0,0,0,0,0|2,0,1]=4 50 B7R0.6 CC(C)CCC(C)O PI-30803 [1,0,0,0,0,0|1,0,1]=3 51 B7R0.6 C[C@H](O)CC[C@H](C)O PI-20708 [1,0,0,0,0,0|2,0,1]=4 52 B7R0.6 C[S+](C)CCC(=O)O PI-45961 [1,0,0,0,0,0|1,0,0]=2 53 B9R0.23 CC(C)CC(C(=O)OC)N PI-14279 [0,1,0,0,0,0|0,0,0]=1 54 B9R0.23 CCC(=O)C(C)CN(C)C PI-49397 [0,1,0,0,0,0|3,0,0]=4 55 B9R0.23 COC(=O)[C@H](CC(=O)O)N PI-37616 [0,1,0,0,0,0|2,0,1]=4 56 B9R0.23 N[C@@H](CC(C)C)C(OC)=O PI-25825 [0,1,0,0,0,0|0,0,0]=1 57 B9R0.39 CC(C)CC(C(=O)O)NC PI-43733 [0,1,0,0,0,0|0,0,0]=1 58 B9R0.39 CNC(CC(=O)O)C(=O)O PI-35775 [0,1,0,0,0,0|2,0,1]=4 59 B9R0.39 CN[C@@H](C(=O)O)CC(=O)O PI-27816 [0,1,0,0,0,0|2,0,1]=4 60 B9R0.42 COC(=O)CC(C(=O)O)N PI-48757 [0,1,0,0,0,0|1,0,1]=3 61 B9R0.42 COC(=O)C[C@@H](C(=O)O)N PI-13089 [0,1,0,0,0,0|1,0,1]=3 62 B9R0.57 OC(=O)[C@H](CS(=O)(=O)O)N PI-27373 [0,1,0,0,0,0|3,0,0]=4 63 B9R1.35 C1C(C=CC1N)C(=O)O PI-17016 [0,0,0,1,0,0|2,0,1]=4 64 B9R1.35 C1C(CNC1C(=O)O)F PI-34564 [0,0,0,1,0,0|1,0,0]=2 65 B9R1.35 C1C(CNC1C(=O)O)F PI-34565 [0,0,0,1,0,0|1,0,0]=2 66 B9R1.35 C1C(CNC1C(=O)O)F PI-34566 [0,0,0,1,0,0|1,0,0]=2 67 B9R1.35 C1C(CNC1C(=O)O)O PI-14276 [0,0,0,1,0,0|1,0,0]=2 68 B9R1.35 C1C(CNC1C(=O)O)O PI-15465 [0,0,0,1,0,0|1,0,0]=2 69 B9R1.35 C1CC(CC1C(=O)O)N PI-17015 [0,0,0,1,0,0|2,0,0]=3 70 B9R1.35 C1[C@H](CN[C@@H]1C(=O)N)O PI-48950 [0,0,0,1,0,0|2,0,0]=3 71 B9R1.35 C1[C@H](CN[C@H]1C(=O)O)F PI-48932 [0,0,0,1,0,0|1,0,0]=2 72 B9R1.35 C1[C@H](CN[C@H]1C(=O)O)O PI-48947 [0,0,0,1,0,0|1,0,0]=2 73 B9R1.35 O=C1CCC(C1)C(=O)O PI-34867 [0,0,0,1,0,0|2,0,1]=4 74 B9R1.35 O=C1CNC(C1)C(=O)O PI-36300 [0,0,0,1,0,0|1,0,1]=3 75 B9R1.35 O=[C@@](O)[C@@H]1NC[C@@H](O)C1 PI-37073 [0,0,0,1,0,0|1,0,0]=2 76 B9R1.35 O[C@@H]1CN[C@@H](C1)C(=O)O PI-15464 [0,0,0,1,0,0|1,0,0]=2 77 B9R1.35 O[C@@H]1CN[C@H](C1)C(=O)O PI-15466 [0,0,0,1,0,0|1,0,0]=2 78 B9R1.69 O=C1C(C)CN(C)CC1 PI-41312 [0,0,0,1,0,0|3,0,0]=4 79 B9R1.112 C1CC1CC(C(=O)O)N PI-43446 [0,0,0,1,0,0|0,0,0]=1 80 B9R1.112 N[C@H](C(=O)O)CC1CC1 PI-21863 [0,0,0,1,0,0|0,0,0]=1 81 B9R1.169 CC1(CC1(Cl)Cl)C(=O)O PI-17199 [0,0,0,1,0,0|3,0,0]=4 82 B7R0.16 CC(C(C(=O)O)N)F PI-30663 [0,0,0,0,1,0|1,0,0]=2 83 B7R0.16 CC(C(C(=O)O)N)O PI-10276 [0,0,0,0,1,0|1,0,0]=2 84 B7R0.16 CC(C(C(=O)O)N)O PI-15755 [0,0,0,0,1,0|1,0,0]=2 85 B7R0.16 CC(C(C(=O)O)N)O PI-27180 [0,0,0,0,1,0|1,0,0]=2 86 B7R0.16 CC(C(C)N)C(=O)O PI-35160 [0,0,0,0,1,0|2,0,0]=3 87 B7R0.16 CC(C(C)N)C(=O)O PI-35161 [0,0,0,0,1,0|2,0,0]=3 88 B7R0.16 CC(C)C(=O)C(=O)[O-] PI-12948 [0,0,0,0,1,0|1,0,2]=4 89 B7R0.16 CC(C)C(=O)C(=O)[O-] PI-18612 [0,0,0,0,1,0|1,0,2]=4 90 B7R0.16 CC(C)C(C(=O)O)Br PI-22142 [0,0,0,0,1,0|1,0,0]=2 91 B7R0.16 CC(C)C(C(=O)O)Br PI-22143 [0,0,0,0,1,0|1,0,0]=2 92 B7R0.16 CC(C)C(C(=O)O)Br PI-22144 [0,0,0,0,1,0|1,0,0]=2 93 B7R0.16 C[C@@H]([C@H](C(=O)O)N)O PI-16564 [0,0,0,0,1,0|1,0,0]=2 94 B7R0.16 C[C@H](O)[C@H](N)C(=O)O PI-27434 [0,0,0,0,1,0|1,0,0]=2 95 B7R0.16 N[C@@H]([C@H](O)C)C(N)=O PI-41044 [0,0,0,0,1,0|2,0,0]=3 96 B7R0.16 N[C@H](C(C)C)C(N)=O PI-42206 [0,0,0,0,1,0|1,0,0]=2 97 B7R0.16 N[C@H](C(C)C)C(O)=O PI-16566 [0,0,0,0,1,0|0,0,0]=1 98 B7R0.16 OC(C(C)C)C(=O)O PI-27567 [0,0,0,0,1,0|1,0,0]=2 99 B9R0.7 C(CC(=O)N)C(C(=O)O)N PI-15754 [0,0,0,0,0,1|2,0,1]=4 100 B9R0.7 C(CC(=O)N)C(C(=O)O)N PI-15955 [0,0,0,0,0,1|2,0,1]=4 101 B9R0.7 C(CC(=O)O)C(C(=O)O)N PI-10055 [0,0,0,0,0,1|2,0,1]=4 102 B9R0.7 C(CC(=O)O)C(C(=O)O)N PI-15753 [0,0,0,0,0,1|2,0,1]=4 103 B9R0.7 CC(=O)SC[C@@H](C(=O)O)C PI-32348 [0,0,0,0,0,1|2,0,1]=4 104 B9R0.7 CC(C(=O)O)ON=C(C)C PI-19653 [0,0,0,0,0,1|2,0,1]=4 105 B9R0.7 CS(=O)CCC(C(=O)O)N PI-17903 [0,0,0,0,0,1|2,0,0]=3 106 B9R0.7 NC(=O)NC[C@H](N)C(=O)O PI-27194 [0,0,0,0,0,1|2,0,1]=4 107 B9R0.7 N[C@@H](CCC(C)C)C(O)=O PI-37204 [0,0,0,0,0,1|0,0,0]=1 108 B9R0.53 CC(C)CC(CC(=O)O)N PI-43912 [0,0,0,0,0,1|0,0,0]=1 109 B9R0.53 CC(C)C[C@@H](N)CC(=O)O PI-36246 [0,0,0,0,0,1|0,0,0]=1 110 B9R0.53 NC(CC(O)=O)CC(O)=O PI-37138 [0,0,0,0,0,1|2,0,1]=4 111 B6R0.1 CCCC(C=C)O PI-15324 [2,0,0,0,0,0|2,0,0]=4 112 B6R0.1 CCCC(CO)O PI-13556 [2,0,0,0,0,0|1,0,1]=4 113 B6R0.2 CC(C)CB(O)O PI-37377 [2,0,0,0,0,0|2,0,0]=4 114 B6R0.2 CC(C)CC(=O)[O-] PI-18660 [2,0,0,0,0,0|1,0,1]=4 115 B6R0.4 B(CCCC)(O)O PI-16470 [2,0,0,0,0,0|1,0,1]=4 116 B6R0.4 C#CCCC(=O)O PI-30018 [2,0,0,0,0,0|0,0,2]=4 117 B6R0.4 C(CC(=O)O)C#N PI-35487 [2,0,0,0,0,0|1,0,1]=4 118 B6R0.4 CC=CCC(=O)O PI-47130 [2,0,0,0,0,0|0,0,2]=4 119 B6R0.4 CCCCC(=O)[O-] PI-46856 [2,0,0,0,0,0|0,0,1]=3 120 B6R0.4 CCCCC(C)O PI-42555 [2,0,0,0,0,0|1,0,1]=4 121 B6R0.4 CCCC[C@@H](C)O PI-49839 [2,0,0,0,0,0|1,0,1]=4 122 B6R0.4 CCCNC(=O)N PI-19783 [2,0,0,0,0,0|2,0,0]=4 123 B6R0.4 CCNCC(=O)O PI-43211 [2,0,0,0,0,0|1,0,0]=3 124 B6R0.4 CN(C)CCCO PI-31996 [2,0,0,0,0,0|1,0,1]=4 125 B6R0.4 CSCCC(=O)O PI-31992 [2,0,0,0,0,0|1,0,0]=3 126 B6R0.4 ClCCCC(=O)C PI-39487 [2,0,0,0,0,0|2,0,0]=4 127 B6R0.4 NCCCC(=O)O PI-35917 [2,0,0,0,0,0|1,0,0]=3 128 B6R0.4 O=C(O)CCCBr PI-40017 [2,0,0,0,0,0|1,0,0]=3 129 B6R0.4 O=C(O)CCCCl PI-41227 [2,0,0,0,0,0|1,0,0]=3 130 B6R0.4 OCCCC(=O)C PI-13555 [2,0,0,0,0,0|2,0,0]=4 131 B6R0.3 C(C(C(=O)O)Br)Br PI-44609 [2,0,0,0,0,0|2,0,0]=4 132 B6R0.3 C(C(C(=O)O)N)N PI-31828 [2,0,0,0,0,0|1,0,0]=3 133 B6R0.3 C(C(C(=O)O)N)N PI-35715 [2,0,0,0,0,0|1,0,0]=3 134 B6R0.3 C(C(C(=O)O)N)N PI-35737 [2,0,0,0,0,0|1,0,0]=3 135 B6R0.3 C(C(C(=O)O)N)S PI-15750 [2,0,0,0,0,0|1,0,0]=3 136 B6R0.3 C(C(C(=O)O)O)N PI-12867 [2,0,0,0,0,0|2,0,0]=4 137 B6R0.3 C([C@@H](C(=O)N)N)O PI-41049 [2,0,0,0,0,0|2,0,0]=4 138 B6R0.3 CC(C(=O)O)NC PI-27549 [2,0,0,0,0,0|2,0,0]=4 139 B6R0.3 CC(C(=O)O)NC PI-27557 [2,0,0,0,0,0|2,0,0]=4 140 B6R0.3 CCC(C(=O)C)S PI-48501 [2,0,0,0,0,0|2,0,0]=4 141 B6R0.3 CCC(C(=O)N)N PI-10559 [2,0,0,0,0,0|1,0,0]=3 142 B6R0.3 CCC(C(=O)O)N PI-28320 [2,0,0,0,0,0|0,0,0]=2 143 B6R0.3 CCC(C(=O)O)N PI-43844 [2,0,0,0,0,0|0,0,0]=2 144 B6R0.3 CC[C@@H](C(=O)N)N PI-12596 [2,0,0,0,0,0|1,0,0]=3 145 B6R0.3 CC[C@@H](C(=O)O)N PI-10518 [2,0,0,0,0,0|0,0,0]=2 146 B6R0.3 CC[C@H](C)C(=O)O PI-48349 [2,0,0,0,0,0|1,0,0]=3 147 B6R0.3 NC(C(=O)O)CN PI-10165 [2,0,0,0,0,0|1,0,0]=3 148 B6R0.3 NC(C(=O)O)CN PI-35820 [2,0,0,0,0,0|1,0,0]=3 149 B6R0.3 NC(CO)C(O)=O PI-35846 [2,0,0,0,0,0|1,0,0]=3 150 B6R0.3 NC(CS)C(=O)O PI-15748 [2,0,0,0,0,0|1,0,0]=3 151 B6R0.3 NCC(C(=O)O)O PI-38395 [2,0,0,0,0,0|2,0,0]=4 152 B6R0.3 N[C@H](C(=O)O)CS PI-36763 [2,0,0,0,0,0|1,0,0]=3 153 B6R0.3 N[C@H](CS)C(=O)O PI-18970 [2,0,0,0,0,0|1,0,0]=3 154 B6R0.3 N[C@H](CS)C(O)=O PI-42401 [2,0,0,0,0,0|1,0,0]=3 155 B6R0.3 O=C(O)C(C)CN PI-42145 [2,0,0,0,0,0|2,0,0]=4 156 B6R0.3 OC[C@@H](N)C(=O)O PI-14287 [2,0,0,0,0,0|1,0,0]=3 157 B6R0.3 [C@H](C)(NC)C(O)=O PI-39694 [2,0,0,0,0,0|2,0,0]=4 158 B8R0.2 CC(C(C(C=O)O)O)O PI-40087 [1,1,0,0,0,0|2,0,0]=4 159 B8R0.2 CC(C(C(C=O)O)O)O PI-40621 [1,1,0,0,0,0|2,0,0]=4 160 B8R0.3 CC(CCCl)C(=O)OC PI-26123 [1,1,0,0,0,0|2,0,0]=4 161 B8R0.3 CCCC(C(=O)OC)Br PI-44177 [1,1,0,0,0,0|1,0,0]=3 162 B8R0.3 CSC[C@@H](C(=O)OC)N PI-35894 [1,1,0,0,0,0|1,0,0]=3 163 B8R0.3 O=C(OC)C(Br)CCBr PI-40018 [1,1,0,0,0,0|2,0,0]=4 164 B8R0.8 C(CC(C(=O)O)N)CN PI-15758 [1,1,0,0,0,0|0,0,0]=2 165 B8R0.8 C(CC(C(=O)O)N)CN PI-42140 [1,1,0,0,0,0|0,0,0]=2 166 B8R0.8 CCCCC(=O)C(=O)O PI-50172 [1,1,0,0,0,0|1,0,1]=4 167 B8R0.8 CCCCC(C(=O)O)Br PI-44233 [1,1,0,0,0,0|1,0,0]=3 168 B8R0.8 CSCCC(C(=O)O)N PI-16565 [1,1,0,0,0,0|0,0,0]=2 169 B8R0.8 C[Se]CC[C@H](N)C(=O)O PI-31833 [1,1,0,0,0,0|0,0,0]=2 170 B8R0.8 N[C@@H](COCN)C(=O)O PI-13094 [1,1,0,0,0,0|1,0,0]=3 171 B8R0.8 N[C@H](C(=O)O)CCCN PI-31147 [1,1,0,0,0,0|0,0,0]=2 172 B8R0.12 CC(CC=C)(C(=O)O)N PI-14928 [1,1,0,0,0,0|0,0,2]=4 173 B8R0.15 CCCC(C(=O)O)NC PI-43602 [1,1,0,0,0,0|0,0,0]=2 174 B8R0.15 CCCC(C(=O)O)NC PI-43851 [1,1,0,0,0,0|0,0,0]=2 175 B8R0.15 CCCC(CC)C(=O)O PI-50173 [1,1,0,0,0,0|1,0,0]=3 176 B8R0.9 CCC(C)CCC(O)=O PI-37097 [1,1,0,0,0,0|0,0,0]=2 177 B8R0.9 NCC(=O)CCC(=O)O PI-10027 [1,1,0,0,0,0|1,0,1]=4 178 B8R0.29 C(CC(F)(F)F)C(=O)O PI-40185 [1,1,0,0,0,0|2,0,0]=4 179 B8R0.29 O=C(O)CNC(C)(C)C PI-40873 [1,1,0,0,0,0|1,0,0]=3 180 B8R0.29 OC(=O)COC(C)(C)C PI-22653 [1,1,0,0,0,0|1,0,0]=3 181 B8R0.18 CC(C(C(=O)O)NC)O PI-43725 [0,1,0,0,1,0|1,0,0]=3 182 B8R0.18 CC(C)C(C(=O)O)NC PI-35774 [0,1,0,0,1,0|0,0,0]=2 183 B8R0.27 CC(C)(C(C(=O)O)N)F PI-26638 [0,1,0,0,1,0|0,0,0]=2 184 B8R0.27 CC(C)(C(C(=O)O)N)O PI-30339 [0,1,0,0,1,0|0,0,0]=2 185 B8R0.27 CC(C)(C(C(=O)O)N)S PI-43189 [0,1,0,0,1,0|0,0,0]=2 186 B8R0.27 CC(C)(C)C(C(=O)O)N PI-26569 [0,1,0,0,1,0|0,0,0]=2 187 B8R0.27 CC(C)(C)[C@H](N)C(N)=O PI-42204 [0,1,0,0,1,0|1,0,0]=3 188 B8R0.27 NC(C(F)(F)F)C(=O)O PI-18261 [0,1,0,0,1,0|2,0,0]=4 189 B8R0.27 NC(C(S)(C)C)C(=O)O PI-25641 [0,1,0,0,1,0|0,0,0]=2 190 B8R0.27 N[C@H](C(C)(C)C)C(=O)O PI-27409 [0,1,0,0,1,0|0,0,0]=2 191 B8R0.27 OC(=O)[C@@H](N)C(C)(C)C PI-25328 [0,1,0,0,1,0|0,0,0]=2 192 B8R0.27 OC(=O)[C@H](C(O)(C)C)N PI-30338 [0,1,0,0,1,0|0,0,0]=2 193 B8R0.37 CC(C)C(C)(N)C(N)=O PI-37241 [0,1,0,0,1,0|1,0,0]=3 194 B8R0.37 CC(C)[C@@](C)(N)C(=O)O PI-26720 [0,1,0,0,1,0|0,0,0]=2 195 B10R0.82 COC(=O)CCC(C(=O)O)N PI-25180 [0,1,0,0,0,1|1,0,1]=4 196 B10R0.92 CS(=O)(=O)CCC(C(=O)O)N PI-17858 [0,1,0,0,0,1|2,0,0]=4 197 B10R0.92 CS(=O)(=O)CCC(C(=O)O)N PI-29888 [0,1,0,0,0,1|2,0,0]=4 198 B10R0.31 C[N+](C)(C)CC(CC(=O)O)O PI-13437 [0,1,0,0,0,1|2,0,0]=4 199 B10R0.31 C[N+](C)(C)CC(CC(=O)O)O PI-44836 [0,1,0,0,0,1|2,0,0]=4 200 B10R0.31 C[N+](C)(C)C[C@H](O)CC(O)=O PI-12109 [0,1,0,0,0,1|2,0,0]=4 201 B10R0.31 OC(=O)C[C@@H](O)C[N+](C)(C)C PI-12697 [0,1,0,0,0,1|2,0,0]=4 202 B10R0.70 NC[C@@H](CC(C)C)CC(=O)O PI-27200 [0,1,0,0,0,1|0,0,0]=2 203 B10R0.32 CCOC(=O)C(CC(C)C)N PI-33215 [0,2,0,0,0,0|0,0,0]=2 204 B10R0.23 CC(C)C[C@H](NC=O)C(O)=O PI-33237 [0,2,0,0,0,0|0,0,0]=2 205 B10R0.23 CC(C)C[C@H](NC=O)C(O)=O PI-41883 [0,2,0,0,0,0|0,0,0]=2 206 B10R0.26 CCCS(=O)CC(C(=O)O)N PI-48456 [0,2,0,0,0,0|2,0,0]=4 207 B10R0.26 N[C@@H](CS(=O)CC=C)C(=O)O PI-29701 [0,2,0,0,0,0|2,0,0]=4 208 B8R1.1 C1C(CNC1CO)F PI-41993 [1,0,0,1,0,0|1,0,1]=4 209 B8R1.1 C1[C@H](CN[C@@H]1CO)O PI-48269 [1,0,0,1,0,0|1,0,1]=4 210 B8R1.18 CC1OC(=O)C(Br)C1 PI-27399 [1,0,0,1,0,0|2,0,0]=4 211 B8R1.5 C1CCC(=O)C(C1)O PI-29668 [1,0,0,1,0,0|2,0,0]=4 212 B8R1.5 C1CCC(C(C1)N)O PI-30701 [1,0,0,1,0,0|1,0,1]=4 213 B8R1.5 C1CCC(C(C1)N)O PI-35193 [1,0,0,1,0,0|1,0,1]=4 214 B8R1.5 C1CCC(C(C1)N)O PI-35194 [1,0,0,1,0,0|1,0,1]=4 215 B8R1.5 NC1CCCCC1O PI-17286 [1,0,0,1,0,0|1,0,1]=4 216 B8R1.5 N[C@H]1CCCC[C@@H]1O PI-38120 [1,0,0,1,0,0|1,0,1]=4 217 B8R1.5 N[C@H]1CCCC[C@H]1O PI-41464 [1,0,0,1,0,0|1,0,1]=4 218 B8R1.5 O=C1NCCCC1O PI-41426 [1,0,0,1,0,0|2,0,0]=4 219 B8R1.5 O[C@H]1[C@H](N)CCCC1 PI-41097 [1,0,0,1,0,0|1,0,1]=4 220 B8R1.7 C1C(NCS1)C(=O)O PI-12069 [1,0,0,1,0,0|1,0,0]=3 221 B8R1.7 C1CC(NC1)C(=O)O PI-44957 [1,0,0,1,0,0|0,0,0]=2 222 B8R1.7 C1CC(OC1)C(=O)O PI-31322 [1,0,0,1,0,0|1,0,0]=3 223 B8R1.7 C1CC(OC1)C(=O)O PI-31323 [1,0,0,1,0,0|1,0,0]=3 224 B8R1.7 C1CC=C(C1)C(=O)O PI-30173 [1,0,0,1,0,0|1,0,1]=4 225 B8R1.7 C1CNCC1C(=O)O PI-25815 [1,0,0,1,0,0|2,0,0]=4 226 B8R1.7 C1COCC1C(=O)O PI-42680 [1,0,0,1,0,0|2,0,0]=4 227 B8R1.7 CC(=O)C1CCCC1 PI-38161 [1,0,0,1,0,0|2,0,0]=4 228 B8R1.7 ClC(=O)C1CCCC1 PI-39144 [1,0,0,1,0,0|2,0,0]=4 229 B8R1.7 NC(=O)[C@@H]1CCCN1 PI-10274 [1,0,0,1,0,0|1,0,0]=3 230 B8R1.7 NC(=O)[C@@H]1CCCN1 PI-16579 [1,0,0,1,0,0|1,0,0]=3 231 B8R1.7 NC(=O)[C@H]1CCCN1 PI-16293 [1,0,0,1,0,0|1,0,0]=3 232 B8R1.7 OC(=O)C1CCCC1 PI-39143 [1,0,0,1,0,0|1,0,0]=3 233 B8R1.7 OC(=O)C1CCCO1 PI-33719 [1,0,0,1,0,0|1,0,0]=3 234 B8R1.7 OC(=O)C1CNCC1 PI-36920 [1,0,0,1,0,0|2,0,0]=4 235 B8R1.7 OC(=O)[C@H]1CCCN1 PI-31157 [1,0,0,1,0,0|0,0,0]=2 236 B8R1.7 OC(=O)[C@H]1NCC=C1 PI-38250 [1,0,0,1,0,0|0,0,2]=4 237 B8R1.23 N[C@@H]1C[C@H](C1)C(=O)O PI-39343 [1,0,0,1,0,0|2,0,0]=4 238 B8R1.23 O=C([C@H]1C[C@@H](O)C1)O PI-41738 [1,0,0,1,0,0|2,0,0]=4 239 B8R1.54 C1CC1C(C(=O)O)N PI-25603 [1,0,0,1,0,0|0,0,0]=2 240 B8R1.54 C1CC1C(C(=O)O)N PI-43245 [1,0,0,1,0,0|0,0,0]=2 241 B8R1.78 C1CC(C1)(C(=O)O)N PI-33642 [1,0,0,1,0,0|0,0,0]=2 242 B8R1.78 O=C(C1(N)CCC1)O PI-31110 [1,0,0,1,0,0|0,0,0]=2 243 B8R1.78 OC(=O)C1(C)COC1 PI-38279 [1,0,0,1,0,0|2,0,0]=4 244 B8R1.78 OC(=O)C1(N)CCC1 PI-33186 [1,0,0,1,0,0|0,0,0]=2 245 B8R1.3 CC1CCC(=O)CC1 PI-37804 [1,0,0,1,0,0|1,0,0]=3 246 B8R1.3 CN1CCC(=O)CC1 PI-31482 [1,0,0,1,0,0|2,0,0]=4 247 B8R1.3 C[C@@H]1CC[C@H](CC1)O PI-22724 [1,0,0,1,0,0|1,0,1]=4 248 B8R1.77 C1C(C1(F)F)C(=O)O PI-43181 [1,0,0,1,0,0|2,0,0]=4 249 B8R1.77 CC1(CC1C(=O)N)C PI-11227 [1,0,0,1,0,0|1,0,0]=3 250 B10R1.13 C1CC(CCC1C(=O)O)O PI-41501 [0,0,0,1,0,1|2,0,0]=4 251 B10R1.13 CN1CCC(CC1)C(=O)O PI-24582 [0,0,0,1,0,1|2,0,0]=4 252 B10R1.13 NC1CCC(CC1)C(=O)O PI-17553 [0,0,0,1,0,1|2,0,0]=4 253 B10R1.13 NC1CCC(CC1)C(=O)O PI-36878 [0,0,0,1,0,1|2,0,0]=4 254 B10R1.359 CC1(OC[C@H](O1)C(=O)[O-])C PI-48067 [0,0,0,1,0,1|1,0,1]=4 255 B10R1.359 OC(=O)[C@@H]1COC(C)(C)O1 PI-33827 [0,0,0,1,0,1|1,0,0]=3 256 B10R1.54 CC(C)CC1COC(=O)N1 PI-35871 [0,0,0,1,0,1|1,0,0]=3 257 B10R1.54 CC(C)CC1COC(=O)N1 PI-35872 [0,0,0,1,0,1|1,0,0]=3 258 B10R1.329 CC1(CC(=CC(=O)C1)N)C PI-14082 [0,0,0,1,0,1|1,0,1]=4 259 B10R1.329 CC1CC(=O)CC(C1)(C)C PI-49082 [0,0,0,1,0,1|2,0,0]=4 260 B10R1.14 COC(=O)C1CC(CN1)O PI-14274 [0,1,0,1,0,0|1,0,0]=3 261 B10R1.14 COC(=O)[C@H]1C[C@@H](CN1)O PI-39281 [0,1,0,1,0,0|1,0,0]=3 262 B10R1.14 O=[C@@](OC)[C@@H]1NC[C@@H](F)C1 PI-36946 [0,1,0,1,0,0|1,0,0]=3 263 B10R1.14 O=[C@@](OC)[C@@H]1NC[C@H](F)C1 PI-36789 [0,1,0,1,0,0|1,0,0]=3 264 B10R1.113 C1CC(CC(C1)N)C(=O)O PI-30392 [0,1,0,1,0,0|2,0,0]=4 265 B10R1.113 CN1CCCC(C1)C(=O)O PI-24210 [0,1,0,1,0,0|2,0,0]=4 266 B10R1.113 C[C@@H]1CCN[C@H](C1)C(=O)O PI-42596 [0,1,0,1,0,0|0,0,0]=2 267 B10R1.113 OC1CNCC(C1)C(=O)O PI-36256 [0,1,0,1,0,0|1,0,0]=3 268 B10R2.357 C1C2C1NC(C2)C(=O)N PI-42305 [0,0,0,2,0,0|1,0,0]=3 269 B10R2.357 NC(=O)[C@@H]1C[C@@H]2[C@H](N1)C2 PI-37483 [0,0,0,2,0,0|1,0,0]=3 270 B10R2.357 NC(=O)[C@@H]1C[C@H]2[C@@H](N1)C2 PI-37485 [0,0,0,2,0,0|1,0,0]=3 271 B10R2.357 O=C([C@H]1N[C@H]2C[C@H]2C1)N PI-42306 [0,0,0,2,0,0|1,0,0]=3 272 B8R0.28 CC(=O)NCCC(=O)O PI-26539 [1,0,0,0,0,1|1,0,1]=4 273 B8R0.28 CC(C)CCCC(=O)C PI-47229 [1,0,0,0,0,1|1,0,0]=3 274 B8R0.28 CN(C)CCCC(=O)O PI-29854 [1,0,0,0,0,1|1,0,0]=3 275 B8R0.28 CN(C\C=C\C(=O)O)C PI-32230 [1,0,0,0,0,1|1,0,1]=4 276 B10R0.98 CN(C)CCCC(C(=O)O)N PI-45004 [0,0,0,0,0,2|1,0,0]=3