0 B9R1.35 C1C(CNC1C(=O)O)F PI-34564 [0,0,0,0,0,0|3,0,1]=4 1 B9R1.35 C1C(CNC1C(=O)O)F PI-34565 [0,0,0,0,0,0|3,0,1]=4 2 B9R1.35 C1C(CNC1C(=O)O)F PI-34566 [0,0,0,0,0,0|3,0,1]=4 3 B9R1.35 C1C(CNC1C(=O)O)O PI-14276 [0,0,0,0,0,0|2,0,2]=4 4 B9R1.35 C1C(CNC1C(=O)O)O PI-15465 [0,0,0,0,0,0|2,0,2]=4 5 B9R1.35 C1C(N=C(S1)N)C(=O)O PI-12060 [0,0,0,0,0,0|2,0,1]=3 6 B9R1.35 C1C(NC(=O)S1)C(=O)O PI-47157 [0,0,0,0,0,0|1,0,0]=1 7 B9R1.35 C1CC(=O)NC1C(=O)O PI-10056 [0,0,0,0,0,0|0,0,0]=0 8 B9R1.35 C1CC(CC1C(=O)O)N PI-17015 [0,0,0,0,0,0|2,0,1]=3 9 B9R1.35 C1[C@H](CN[C@H]1C(=O)O)F PI-48932 [0,0,0,0,0,0|3,0,1]=4 10 B9R1.35 C1[C@H](CN[C@H]1C(=O)O)O PI-48947 [0,0,0,0,0,0|2,0,2]=4 11 B9R1.35 CC(C)C1COC(=O)N1 PI-10341 [0,0,0,0,0,0|3,0,1]=4 12 B9R1.35 CC(C)C1COC(=O)N1 PI-10342 [0,0,0,0,0,0|3,0,1]=4 13 B9R1.35 O=C1CCC(C1)C(=O)O PI-34867 [0,0,0,0,0,0|1,0,0]=1 14 B9R1.35 O=C1CC[C@H](N1)C(=O)O PI-33313 [0,0,0,0,0,0|0,0,0]=0 15 B9R1.35 O=C1CC[C@H](O1)C(=O)O PI-39065 [0,0,0,0,0,0|1,0,0]=1 16 B9R1.35 O=C1CNC(C1)C(=O)O PI-36300 [0,0,0,0,0,0|2,0,0]=2 17 B9R1.35 O=[C@@](O)[C@@H]1NC[C@@H](O)C1 PI-37073 [0,0,0,0,0,0|2,0,2]=4 18 B9R1.35 O[C@@H]1CN[C@@H](C1)C(=O)O PI-15464 [0,0,0,0,0,0|2,0,2]=4 19 B9R1.35 O[C@@H]1CN[C@H](C1)C(=O)O PI-15466 [0,0,0,0,0,0|2,0,2]=4 20 B8R1.1 C1CC(=O)NC1CO PI-35695 [1,0,0,0,0,0|0,0,1]=2 21 B8R1.1 C=CC1CCC(=O)N1 PI-36755 [1,0,0,0,0,0|1,0,0]=2 22 B8R1.1 OC[C@@H]1CCC(=O)N1 PI-35779 [1,0,0,0,0,0|0,0,1]=2 23 B8R1.1 OC[C@@H]1CCC(=O)O1 PI-27485 [1,0,0,0,0,0|1,0,1]=3 24 B8R1.7 C1=C(NC=N1)C(=O)O PI-31349 [1,0,0,0,0,0|1,0,2]=4 25 B8R1.7 C1=CN=C(N1)C(=O)O PI-40003 [1,0,0,0,0,0|1,0,2]=4 26 B8R1.7 C1C(NCS1)C(=O)O PI-12069 [1,0,0,0,0,0|1,0,1]=3 27 B8R1.7 C1C=CCC1C(=O)O PI-33725 [1,0,0,0,0,0|1,0,1]=3 28 B8R1.7 C1CC(NC1)C(=O)O PI-44957 [1,0,0,0,0,0|0,0,1]=2 29 B8R1.7 C1CC(OC1)C(=O)O PI-31322 [1,0,0,0,0,0|1,0,1]=3 30 B8R1.7 C1CC(OC1)C(=O)O PI-31323 [1,0,0,0,0,0|1,0,1]=3 31 B8R1.7 C1CC=C(C1)C(=O)O PI-30173 [1,0,0,0,0,0|1,0,2]=4 32 B8R1.7 C1CNCC1C(=O)O PI-25815 [1,0,0,0,0,0|2,0,0]=3 33 B8R1.7 C1COC=C1C(=O)O PI-48370 [1,0,0,0,0,0|2,0,1]=4 34 B8R1.7 C1COCC1C(=O)O PI-42680 [1,0,0,0,0,0|2,0,0]=3 35 B8R1.7 CC(=O)C1CCCC1 PI-38161 [1,0,0,0,0,0|2,0,1]=4 36 B8R1.7 CC(=O)C1CCOC1 PI-42706 [1,0,0,0,0,0|3,0,0]=4 37 B8R1.7 ClC(=O)C1CCCC1 PI-39144 [1,0,0,0,0,0|2,0,1]=4 38 B8R1.7 NC(=O)[C@@H]1CCCN1 PI-10274 [1,0,0,0,0,0|1,0,1]=3 39 B8R1.7 NC(=O)[C@@H]1CCCN1 PI-16579 [1,0,0,0,0,0|1,0,1]=3 40 B8R1.7 NC(=O)[C@H]1CCCN1 PI-16293 [1,0,0,0,0,0|1,0,1]=3 41 B8R1.7 OC(=O)C1CCCC1 PI-39143 [1,0,0,0,0,0|1,0,1]=3 42 B8R1.7 OC(=O)C1CCCO1 PI-33719 [1,0,0,0,0,0|1,0,1]=3 43 B8R1.7 OC(=O)C1CNCC1 PI-36920 [1,0,0,0,0,0|2,0,0]=3 44 B8R1.7 OC(=O)[C@H]1CCCN1 PI-31157 [1,0,0,0,0,0|0,0,1]=2 45 B8R1.7 OC(=O)[C@H]1NCC=C1 PI-38250 [1,0,0,0,0,0|2,0,0]=3 46 B8R1.7 OC(=O)c1ccc[nH]1 PI-27813 [1,0,0,0,0,0|0,0,3]=4 47 B8R1.7 OC(=O)n1scc[nH]1 PI-29827 [1,0,0,0,0,0|2,0,1]=4 48 B10R1.14 COC(=O)C1CCC(=O)C1 PI-42489 [0,1,0,0,0,0|1,0,0]=2 49 B10R1.14 COC(C1NC(=O)CC1)=O PI-41045 [0,1,0,0,0,0|0,0,0]=1 50 B10R1.14 O=C1CC[C@@H]([C@](OC)=O)N1 PI-37268 [0,1,0,0,0,0|0,0,0]=1 51 B10R1.31 O=Cc1ccc([nH]1)C(=O)O PI-36297 [0,1,0,0,0,0|0,0,3]=4 52 B10R1.359 C1CC(CC1C(=O)O)(F)F PI-44549 [0,1,0,0,0,0|2,0,1]=4 53 B8R0.8 C(CC(C(=O)O)N)CN PI-15758 [0,0,1,0,0,0|1,0,1]=3 54 B8R0.8 C(CC(C(=O)O)N)CN PI-42140 [0,0,1,0,0,0|1,0,1]=3 55 B8R0.8 CCCCC(C(=O)O)Br PI-44233 [0,0,1,0,0,0|2,0,1]=4 56 B8R0.8 CSCCC(C(=O)O)N PI-16565 [0,0,1,0,0,0|2,0,0]=3 57 B8R0.8 C[Se]CC[C@H](N)C(=O)O PI-31833 [0,0,1,0,0,0|2,0,0]=3 58 B8R0.8 N[C@@H](COCN)C(=O)O PI-13094 [0,0,1,0,0,0|2,0,1]=4 59 B8R0.8 N[C@H](C(=O)O)CCCN PI-31147 [0,0,1,0,0,0|1,0,1]=3 60 B8R0.9 CCC(C)CCC(O)=O PI-37097 [0,0,1,0,0,0|2,0,1]=4 61 B8R0.9 COC(=O)CCC(=O)Cl PI-13416 [0,0,1,0,0,0|3,0,0]=4 62 B8R0.9 NCC(=O)CCC(=O)O PI-10027 [0,0,1,0,0,0|2,0,0]=3 63 B8R0.9 NCC(=O)NCC(=O)O PI-10062 [0,0,1,0,0,0|1,0,0]=2 64 B8R0.15 CCCC(CC)C(=O)O PI-50173 [0,0,1,0,0,0|2,0,1]=4 65 B8R0.23 C(C(C(=O)O)Cl)C(=O)O PI-28489 [0,0,1,0,0,0|3,0,0]=4 66 B8R0.23 C(C(C(=O)O)Cl)C(=O)O PI-28518 [0,0,1,0,0,0|3,0,0]=4 67 B8R0.23 CC(=O)NC(=C)C(=O)O PI-26724 [0,0,1,0,0,0|0,0,2]=3 68 B8R0.23 CC(C(=O)C)OC(=O)C PI-26680 [0,0,1,0,0,0|2,0,0]=3 69 B8R0.23 CC(NC(C)=O)C(O)=O PI-26061 [0,0,1,0,0,0|0,0,0]=1 70 B8R0.23 C[C@@H](CC(=O)O)C(=O)O PI-48298 [0,0,1,0,0,0|2,0,0]=3 71 B8R0.23 O=C(O)[C@H](N)CC(O)=O PI-13091 [0,0,1,0,0,0|3,0,0]=4 72 B8R0.23 OC(=O)CC(C(=O)O)C PI-25606 [0,0,1,0,0,0|2,0,0]=3 73 B8R0.23 [C@H](N)(CS(C)=O)C(O)=O PI-42226 [0,0,1,0,0,0|3,0,0]=4 74 B8R0.28 C(C(=O)N)SCC(=O)N PI-29144 [0,0,1,0,0,0|2,0,0]=3 75 B8R0.28 C(CC(=O)Cl)CC(=O)Cl PI-46857 [0,0,1,0,0,0|2,0,0]=3 76 B8R0.28 CC(=O)CCCC(=O)C PI-42581 [0,0,1,0,0,0|2,0,0]=3 77 B8R0.28 CC(=O)NCCC(=O)O PI-26539 [0,0,1,0,0,0|2,0,0]=3 78 B8R0.28 CN(C)CCCC(=O)O PI-29854 [0,0,1,0,0,0|3,0,0]=4 79 B8R0.28 NC(=N)NCCC(=O)O PI-11247 [0,0,1,0,0,0|2,0,0]=3 80 B10R2.357 C1C2C1NC(C2)C(=O)N PI-42305 [0,0,0,1,0,0|2,0,1]=4 81 B10R2.357 NC(=O)[C@@H]1C[C@@H]2[C@H](N1)C2 PI-37483 [0,0,0,1,0,0|2,0,1]=4 82 B10R2.357 NC(=O)[C@@H]1C[C@H]2[C@@H](N1)C2 PI-37485 [0,0,0,1,0,0|2,0,1]=4 83 B10R2.357 O=C([C@H]1N[C@H]2C[C@H]2C1)N PI-42306 [0,0,0,1,0,0|2,0,1]=4 84 B8R1.23 N[C@@H]1C[C@H](C1)C(=O)O PI-39343 [0,0,0,0,1,0|2,0,1]=4 85 B8R1.23 O=C([C@H]1C[C@@H](O)C1)O PI-41738 [0,0,0,0,1,0|1,0,2]=4 86 B8R1.23 O=C1CC(C1)C(=O)O PI-38282 [0,0,0,0,1,0|1,0,0]=2 87 B10R1.13 C1=CC(=O)NC=C1C(=O)O PI-10378 [0,0,0,0,0,1|0,0,3]=4 88 B10R1.13 C1CC(CCC1C(=O)O)O PI-41501 [0,0,0,0,0,1|1,0,2]=4 89 B10R1.13 CN1CCC(CC1)C(=O)O PI-24582 [0,0,0,0,0,1|3,0,0]=4 90 B10R1.13 NC1CCC(CC1)C(=O)O PI-17553 [0,0,0,0,0,1|2,0,1]=4 91 B10R1.13 NC1CCC(CC1)C(=O)O PI-36878 [0,0,0,0,0,1|2,0,1]=4 92 B10R1.54 CC(=O)OC1CC(=O)OC1 PI-27298 [0,0,0,0,0,1|3,0,0]=4 93 B10R1.113 C1CC(CC(C1)N)C(=O)O PI-30392 [0,0,0,0,0,1|2,0,1]=4 94 B10R1.113 C1CC(NC(=O)C1)C(=O)O PI-25461 [0,0,0,0,0,1|0,0,0]=1 95 B10R1.113 CN1CCCC(C1)C(=O)O PI-24210 [0,0,0,0,0,1|3,0,0]=4 96 B10R1.113 C[C@@H]1CCN[C@H](C1)C(=O)O PI-42596 [0,0,0,0,0,1|2,0,1]=4 97 B10R1.113 O=C1CCCC(N1)C(=O)O PI-25511 [0,0,0,0,0,1|0,0,0]=1 98 B10R1.113 O=C1CN(C(C)=O)CCC1 PI-40981 [0,0,0,0,0,1|3,0,0]=4 99 B10R1.113 OC(=O)[C@@H]1CCNC(=N1)C PI-38939 [0,0,0,0,0,1|1,0,1]=3 100 B10R1.113 OC1CNCC(C1)C(=O)O PI-36256 [0,0,0,0,0,1|1,0,2]=4 101 B7R0.3 C=CCNC(=O)CCl PI-15657 [1,0,1,0,0,0|2,0,0]=4 102 B7R0.3 COC(=O)CCC=O PI-48276 [1,0,1,0,0,0|2,0,0]=4 103 B7R0.4 BrCCCCC(=O)O PI-11341 [1,0,1,0,0,0|1,0,1]=4 104 B7R0.4 C#CCCCC(O)=O PI-37286 [1,0,1,0,0,0|1,0,1]=4 105 B7R0.4 C(CNCC(=O)O)N PI-47160 [1,0,1,0,0,0|1,0,1]=4 106 B7R0.4 CCCOCC(=O)O PI-32592 [1,0,1,0,0,0|1,0,1]=4 107 B7R0.4 NCCCCC(=O)O PI-30804 [1,0,1,0,0,0|0,0,1]=3 108 B7R0.4 O=C(O)CNCC=C PI-37297 [1,0,1,0,0,0|2,0,0]=4 109 B7R0.4 OC(=O)CCCCN PI-40783 [1,0,1,0,0,0|0,0,1]=3 110 B7R0.5 C#CCC(C(=O)O)N PI-43612 [1,0,1,0,0,0|0,0,2]=4 111 B7R0.5 C#CCC(C(=O)O)N PI-43896 [1,0,1,0,0,0|0,0,2]=4 112 B7R0.5 C(CN)C(C(=O)O)N PI-18265 [1,0,1,0,0,0|1,0,0]=3 113 B7R0.5 C(CN)C(C(=O)O)N PI-18421 [1,0,1,0,0,0|1,0,0]=3 114 B7R0.5 C(CN)C(C(=O)O)N PI-45534 [1,0,1,0,0,0|1,0,0]=3 115 B7R0.5 C(CN)C(C(=O)O)O PI-16049 [1,0,1,0,0,0|2,0,0]=4 116 B7R0.5 C=CCC(C(=O)O)N PI-43236 [1,0,1,0,0,0|0,0,1]=3 117 B7R0.5 C=CCC(C(=O)O)N PI-43396 [1,0,1,0,0,0|0,0,1]=3 118 B7R0.5 CC(C(=O)O)NC=O PI-33235 [1,0,1,0,0,0|0,0,0]=2 119 B7R0.5 CCCC(C(=O)O)Br PI-44608 [1,0,1,0,0,0|1,0,1]=4 120 B7R0.5 CCCC(C(=O)O)N PI-13494 [1,0,1,0,0,0|0,0,1]=3 121 B7R0.5 CCC[C@H](C(=O)O)N PI-39155 [1,0,1,0,0,0|0,0,1]=3 122 B7R0.5 COCC(C(=O)O)N PI-14934 [1,0,1,0,0,0|1,0,1]=4 123 B7R0.5 COCC(C(=O)O)N PI-14935 [1,0,1,0,0,0|1,0,1]=4 124 B7R0.5 CSC[C@@H](C(=O)O)N PI-25076 [1,0,1,0,0,0|1,0,1]=4 125 B7R0.5 NC(CC=C)C(O)=O PI-29913 [1,0,1,0,0,0|0,0,1]=3 126 B7R0.5 NC(CCBr)C(=O)O PI-36244 [1,0,1,0,0,0|1,0,0]=3 127 B7R0.5 NC(CCO)C(O)=O PI-41434 [1,0,1,0,0,0|0,0,1]=3 128 B7R0.5 NC(CCS)C(=O)O PI-27603 [1,0,1,0,0,0|0,1,0]=3 129 B7R0.5 NCCC(C(=O)O)N PI-27828 [1,0,1,0,0,0|1,0,0]=3 130 B7R0.5 N[C@@H](CCS)C(O)=O PI-37318 [1,0,1,0,0,0|0,1,0]=3 131 B7R0.5 N[C@H](C(=O)O)CCBr PI-40811 [1,0,1,0,0,0|1,0,0]=3 132 B7R0.5 O=C(O)[C@@H](N)CSC PI-41817 [1,0,1,0,0,0|1,0,1]=4 133 B7R0.5 OCC[C@H](C(=O)O)N PI-31830 [1,0,1,0,0,0|0,0,1]=3 134 B7R0.5 OCC[C@H](N)C(=O)O PI-14275 [1,0,1,0,0,0|0,0,1]=3 135 B7R0.6 CC(=O)C=CC(=O)O PI-29616 [1,0,1,0,0,0|1,0,1]=4 136 B7R0.6 CC(=O)CCC(=O)C PI-48500 [1,0,1,0,0,0|2,0,0]=4 137 B7R0.6 CC(=O)NCC(=O)C PI-36400 [1,0,1,0,0,0|1,0,0]=3 138 B7R0.6 CC(=O)NCC(=O)O PI-33247 [1,0,1,0,0,0|0,0,0]=2 139 B7R0.6 CC(=O)NNC(=O)C PI-30465 [1,0,1,0,0,0|2,0,0]=4 140 B7R0.6 CC(=O)OCC(=O)Cl PI-13657 [1,0,1,0,0,0|2,0,0]=4 141 B7R0.6 CC(=O)OCC(=O)O PI-26120 [1,0,1,0,0,0|1,0,0]=3 142 B7R0.15 CNC(CO)C(=O)O PI-43688 [1,0,1,0,0,0|1,0,1]=4 143 B7R1.1 OC[C@@H]1CCCN1 PI-16636 [2,0,0,0,0,0|0,0,2]=4 144 B7R1.1 OC[C@H]1CCCN1 PI-16475 [2,0,0,0,0,0|0,0,2]=4 145 B7R1.2 C1C(=O)NC(=O)S1 PI-10988 [2,0,0,0,0,0|1,0,1]=4 146 B7R1.2 C1C(COC1=O)O PI-28663 [2,0,0,0,0,0|2,0,0]=4 147 B7R1.2 CC1COC(=O)N1 PI-35869 [2,0,0,0,0,0|1,0,1]=4 148 B7R1.2 C[C@@H]1CCC(=O)O1 PI-27751 [2,0,0,0,0,0|1,0,1]=4 149 B7R1.2 C[C@H]1COC(=O)N1 PI-35870 [2,0,0,0,0,0|1,0,1]=4 150 B7R1.2 O=C1OCC(O)C1 PI-12958 [2,0,0,0,0,0|2,0,0]=4 151 B7R1.2 OC1CC(=O)NC1 PI-39044 [2,0,0,0,0,0|2,0,0]=4 152 B7R1.2 O[C@@H]1CC(=O)NC1 PI-15469 [2,0,0,0,0,0|2,0,0]=4 153 B7R1.2 O[C@H]1CC(=O)NC1 PI-15470 [2,0,0,0,0,0|2,0,0]=4 154 B7R1.2 O[C@H]1CC(=O)OC1 PI-28789 [2,0,0,0,0,0|2,0,0]=4 155 B9R0.7 C(CC(=O)N)C(C(=O)O)N PI-15754 [0,1,1,0,0,0|0,0,0]=2 156 B9R0.7 C(CC(=O)N)C(C(=O)O)N PI-15955 [0,1,1,0,0,0|0,0,0]=2 157 B9R0.7 C(CC(=O)O)C(=O)C(=O)O PI-34101 [0,1,1,0,0,0|1,0,1]=4 158 B9R0.7 C(CC(=O)O)C(C(=O)O)N PI-10055 [0,1,1,0,0,0|0,0,0]=2 159 B9R0.7 C(CC(=O)O)C(C(=O)O)N PI-15753 [0,1,1,0,0,0|0,0,0]=2 160 B9R0.7 CC(=O)SC[C@@H](C(=O)O)C PI-32348 [0,1,1,0,0,0|2,0,0]=4 161 B9R0.7 CS(=O)CCC(C(=O)O)N PI-17903 [0,1,1,0,0,0|1,0,0]=3 162 B9R0.7 NC(=O)NC[C@H](N)C(=O)O PI-27194 [0,1,1,0,0,0|1,0,0]=3 163 B9R0.7 N[C@@H](CCC(C)C)C(O)=O PI-37204 [0,1,1,0,0,0|1,0,1]=4 164 B9R0.8 COC(=O)C(CCSC)N PI-25385 [0,1,1,0,0,0|2,0,0]=4 165 B9R0.8 COC(=O)C(CCSC)N PI-44538 [0,1,1,0,0,0|2,0,0]=4 166 B9R0.13 CCCCC(C(=O)O)NC PI-43569 [0,1,1,0,0,0|1,0,1]=4 167 B9R0.13 CNC(CCCN)C(=O)O PI-43554 [0,1,1,0,0,0|1,0,1]=4 168 B9R0.13 CNC(CCCN)C(=O)O PI-43900 [0,1,1,0,0,0|1,0,1]=4 169 B9R0.47 C(CCN)CC(C(=O)O)N PI-14281 [0,1,1,0,0,0|1,0,1]=4 170 B9R0.47 CCCCCC(N)C(=O)O PI-17287 [0,1,1,0,0,0|1,0,1]=4 171 B9R0.47 CCSCCC(C(=O)O)N PI-38397 [0,1,1,0,0,0|1,0,1]=4 172 B9R0.47 NCCCC[C@@H](N)C(=O)O PI-14280 [0,1,1,0,0,0|1,0,1]=4 173 B9R0.47 NCCCC[C@H](C(=O)O)N PI-22775 [0,1,1,0,0,0|1,0,1]=4 174 B9R0.47 O=C(O)[C@@H](N)CCCCN PI-41533 [0,1,1,0,0,0|1,0,1]=4 175 B9R0.23 COC(=O)[C@H](CC(=O)O)N PI-37616 [0,1,1,0,0,0|2,0,0]=4 176 B9R0.48 CCOC(=O)C=CC(=O)O PI-47111 [0,1,1,0,0,0|1,0,1]=4 177 B9R0.48 CCOC(=O)CCC(=O)Cl PI-12811 [0,1,1,0,0,0|2,0,0]=4 178 B9R0.33 CC(C)C(C(=O)O)NC=O PI-33236 [0,1,1,0,0,0|0,0,0]=2 179 B9R0.39 CC(=O)NC(CO)C(=O)O PI-33265 [0,1,1,0,0,0|1,0,0]=3 180 B9R0.39 CCC(C(=O)O)NC(=O)C PI-42198 [0,1,1,0,0,0|0,0,0]=2 181 B9R0.39 CCC(C(=O)O)NC(=O)C PI-42199 [0,1,1,0,0,0|0,0,0]=2 182 B9R0.39 CNC(CC(=O)O)C(=O)O PI-35775 [0,1,1,0,0,0|2,0,0]=4 183 B9R0.39 CN[C@@H](C(=O)O)CC(=O)O PI-27816 [0,1,1,0,0,0|2,0,0]=4 184 B9R0.39 OCC(NC(=O)C)C(=O)O PI-29994 [0,1,1,0,0,0|1,0,0]=3 185 B9R0.39 SC[C@@H](C(=O)O)NC(=O)C PI-33258 [0,1,1,0,0,0|1,0,0]=3 186 B9R0.39 SC[C@H](C(O)=O)NC(C)=O PI-36855 [0,1,1,0,0,0|1,0,0]=3 187 B9R0.11 CC(=O)OC(C)(C)C(=O)Br PI-13003 [0,1,1,0,0,0|2,0,0]=4 188 B9R0.11 CC(=O)OC(C)(C)C(=O)Cl PI-13004 [0,1,1,0,0,0|2,0,0]=4 189 B9R0.1 CC(=O)NCCC(=O)OC PI-33249 [0,1,1,0,0,0|2,0,0]=4 190 B9R0.1 COC(=O)CCCC(=O)O PI-39132 [0,1,1,0,0,0|1,0,0]=3 191 B9R0.53 CC(CC(=O)O)CC(=O)O PI-39477 [0,1,1,0,0,0|1,0,0]=3 192 B9R0.53 NC(CC(O)=O)CC(O)=O PI-37138 [0,1,1,0,0,0|1,0,0]=3 193 B9R0.56 OC(=O)CCCS(=O)(=O)N PI-26215 [0,1,1,0,0,0|1,0,0]=3 194 B9R1.11 COC(=O)C1CC=CC1 PI-37831 [1,1,0,0,0,0|1,0,1]=4 195 B9R1.11 COC(=O)C1CCCN1 PI-14284 [1,1,0,0,0,0|0,0,1]=3 196 B9R1.11 COC(=O)C1CCCO1 PI-13051 [1,1,0,0,0,0|1,0,1]=4 197 B9R1.11 COC(=O)C1CCNC1 PI-27313 [1,1,0,0,0,0|2,0,0]=4 198 B9R1.11 COC(=O)[C@@H]1CCCN1 PI-14283 [1,1,0,0,0,0|0,0,1]=3 199 B9R1.11 O=C(C1CNCC1)OC PI-46627 [1,1,0,0,0,0|2,0,0]=4 200 B9R1.11 O=C(C1COCC1)OC PI-42697 [1,1,0,0,0,0|2,0,0]=4 201 B9R1.41 C1CC(C(C1)N)C(=O)O PI-36305 [1,1,0,0,0,0|1,0,1]=4 202 B9R1.41 CN1CCCC1C(=O)O PI-43187 [1,1,0,0,0,0|0,0,1]=3 203 B9R1.163 C1CCC(C1)(C(=O)O)N PI-30681 [1,1,0,0,0,0|1,0,1]=4 204 B9R1.163 CC1(CCCN1)C(=O)O PI-41289 [1,1,0,0,0,0|0,0,1]=3 205 B9R1.163 O=C(C1(N)COCC1)O PI-40281 [1,1,0,0,0,0|2,0,0]=4 206 B9R1.163 OC(=O)C1(C)COCC1 PI-39236 [1,1,0,0,0,0|2,0,0]=4 207 B9R1.163 OC(=O)[C@]1(C)CCCN1 PI-41288 [1,1,0,0,0,0|0,0,1]=3 208 B9R1.82 COC(=O)C1CC(=O)C1 PI-48951 [0,1,0,0,1,0|1,0,0]=3 209 B11R1.727 C1CS(=O)(=O)CCC1C(=O)O PI-45461 [0,1,0,0,0,1|2,0,0]=4 210 B11R1.645 OC(=O)CC1NC(=O)NC1=O PI-25658 [0,1,0,0,0,1|1,0,1]=4 211 B11R1.74 C1C(CC(=O)CC1=O)C(=O)O PI-49406 [0,1,0,0,0,1|1,0,0]=3 212 B11R1.74 O=C1NC(=O)N[C@@H](C1)C(=O)O PI-39218 [0,1,0,0,0,1|0,0,1]=3 213 B11R1.15 CCOC(=O)C1CCC(=O)C1 PI-42490 [0,2,0,0,0,0|1,0,0]=3 214 B11R1.15 CCOC(=O)[C@@H]1CCC(=O)N1 PI-34624 [0,2,0,0,0,0|0,0,0]=2 215 B11R1.489 O=C1CC(C(=O)O)C(C)(C)O1 PI-17964 [0,2,0,0,0,0|2,0,0]=4 216 B9R1.6 C1CC(CC=C1)C(=O)O PI-41428 [0,0,1,1,0,0|2,0,0]=4 217 B9R1.6 C1CCNC(C1)C(=O)O PI-16483 [0,0,1,1,0,0|1,0,1]=4 218 B9R1.6 OC(=O)C1CCCCN1 PI-16286 [0,0,1,1,0,0|1,0,1]=4 219 B9R1.6 OC(=O)[C@@H]1CCC=CC1 PI-41429 [0,0,1,1,0,0|2,0,0]=4 220 B9R1.6 OC(=O)[C@@H]1CCCCN1 PI-10137 [0,0,1,1,0,0|1,0,1]=4 221 B9R1.6 OC(=O)[C@H]1CCCCN1 PI-10136 [0,0,1,1,0,0|1,0,1]=4 222 B9R1.69 C1CC(=O)NC(=O)C1N PI-40871 [0,0,1,1,0,0|1,0,0]=3 223 B9R1.110 C1CC(C1)C(C(=O)O)N PI-43724 [0,0,1,1,0,0|1,0,1]=4 224 B9R1.110 C1CC(C1)C(C(=O)O)N PI-43790 [0,0,1,1,0,0|1,0,1]=4 225 B9R1.110 C1CC(C1)C(C(=O)O)N PI-43791 [0,0,1,1,0,0|1,0,1]=4 226 B9R1.112 C1CC1CC(C(=O)O)N PI-43446 [0,0,1,1,0,0|1,0,1]=4 227 B9R1.112 N[C@H](C(=O)O)CC1CC1 PI-21863 [0,0,1,1,0,0|1,0,1]=4 228 B9R1.53 CC(=O)OC1CC(=O)N1 PI-24294 [0,0,1,1,0,0|2,0,0]=4 229 B9R2.39 C1C2C=CC1NC2=O PI-12433 [1,0,0,1,0,0|1,0,0]=3 230 B9R2.39 C1[C@@H]2C=C[C@H]1NC2=O PI-12431 [1,0,0,1,0,0|1,0,0]=3 231 B9R2.39 O=C1N[C@@H]2C=C[C@H]1C2 PI-12432 [1,0,0,1,0,0|1,0,0]=3 232 B7R0.16 CC(C(C)N)C(=O)O PI-35160 [0,0,1,0,1,0|1,0,1]=4 233 B7R0.16 CC(C(C)N)C(=O)O PI-35161 [0,0,1,0,1,0|1,0,1]=4 234 B7R1.18 C1C(CN1)C(=O)O PI-49248 [1,0,0,0,1,0|1,0,1]=4 235 B7R1.18 C1CC(C1)C(=O)O PI-16540 [1,0,0,0,1,0|0,0,1]=3 236 B7R1.18 ClC(=O)C1CCC1 PI-13205 [1,0,0,0,1,0|1,0,1]=4 237 B7R1.18 OC(=O)C1CCN1 PI-25003 [1,0,0,0,1,0|0,0,0]=2 238 B7R1.18 OC(=O)C1CNC1 PI-14151 [1,0,0,0,1,0|1,0,1]=4 239 B7R1.18 OC(=O)[C@@H]1CCN1 PI-14152 [1,0,0,0,1,0|0,0,0]=2 240 B7R1.18 OC(=O)[C@H]1CCN1 PI-25834 [1,0,0,0,1,0|0,0,0]=2 241 B7R1.12 C1C(C1F)C(=O)O PI-48944 [0,0,0,0,2,0|1,0,1]=4 242 B7R1.12 OC(=O)[C@H]1C[C@H]1F PI-39142 [0,0,0,0,2,0|1,0,1]=4 243 B9R0.4 CSCCC(CC(=O)O)N PI-43861 [0,0,1,0,0,1|2,0,0]=4 244 B9R0.55 CC(=O)NCCCC(=O)O PI-26540 [0,0,1,0,0,1|1,0,0]=3 245 B9R1.13 C1CC(NC1)CC(=O)O PI-27684 [1,0,0,0,0,1|0,0,1]=3 246 B9R1.13 C1CC(NC1)CC(=O)O PI-43782 [1,0,0,0,0,1|0,0,1]=3 247 B9R1.13 C1COCC1CC(=O)O PI-45427 [1,0,0,0,0,1|2,0,0]=4 248 B11R1.20 CC(=O)NC1CCC(=O)CC1 PI-33791 [0,0,0,0,0,2|2,0,0]=4