0 B7R1.2 C1C(=O)COC1=O PI-17979 [0,0,0,0,0,0|3,0,1]=4 1 B7R1.2 C1C(=O)NC(=O)S1 PI-10988 [0,0,0,0,0,0|3,0,1]=4 2 B7R1.2 C1C(=O)NC(=S)N1 PI-25614 [0,0,0,0,0,0|3,0,1]=4 3 B7R1.2 C1C(=O)NC(=S)S1 PI-10884 [0,0,0,0,0,0|3,0,1]=4 4 B7R1.2 C1C(C=CC1=O)O PI-48068 [0,0,0,0,0,0|2,0,2]=4 5 B7R1.2 C1C(CNC1=O)N PI-35851 [0,0,0,0,0,0|3,0,0]=3 6 B7R1.2 C1C(COC1=O)O PI-28663 [0,0,0,0,0,0|3,0,0]=3 7 B7R1.2 C1CC(CC1N)O PI-44226 [0,0,0,0,0,0|2,0,2]=4 8 B7R1.2 C1CC(CC1O)O PI-43989 [0,0,0,0,0,0|2,0,2]=4 9 B7R1.2 CC1=CC(=O)N=N1 PI-30060 [0,0,0,0,0,0|3,0,1]=4 10 B7R1.2 CC1=CC=C(O1)C PI-44542 [0,0,0,0,0,0|1,0,3]=4 11 B7R1.2 CC1=CNC(=O)N1 PI-31820 [0,0,0,0,0,0|2,0,2]=4 12 B7R1.2 CC1=NN=C(Br)O1 PI-39669 [0,0,0,0,0,0|3,0,1]=4 13 B7R1.2 CC1CCC(C1)O PI-44641 [0,0,0,0,0,0|1,0,2]=3 14 B7R1.2 CC1COC(=O)N1 PI-35869 [0,0,0,0,0,0|2,0,0]=2 15 B7R1.2 CN1CCC(O)C1 PI-33498 [0,0,0,0,0,0|2,0,2]=4 16 B7R1.2 C[C@@H]1CCC(=O)O1 PI-27751 [0,0,0,0,0,0|0,0,0]=0 17 B7R1.2 C[C@@H]1COC(=O)O1 PI-12235 [0,0,0,0,0,0|1,0,0]=1 18 B7R1.2 C[C@H]1COC(=O)N1 PI-35870 [0,0,0,0,0,0|2,0,0]=2 19 B7R1.2 C[C@H]1COC(=O)O1 PI-12953 [0,0,0,0,0,0|1,0,0]=1 20 B7R1.2 Cc1[nH][nH]c(=O)c1 PI-10806 [0,0,0,0,0,0|3,0,1]=4 21 B7R1.2 Cc1nnc(o1)N PI-38338 [0,0,0,0,0,0|3,0,1]=4 22 B7R1.2 O=C1CSC(=N1)N PI-25673 [0,0,0,0,0,0|3,0,1]=4 23 B7R1.2 O=C1NCC(=O)O1 PI-37627 [0,0,0,0,0,0|2,0,1]=3 24 B7R1.2 O=C1OC=C(Br)O1 PI-38607 [0,0,0,0,0,0|2,0,2]=4 25 B7R1.2 O=C1OC=C(Cl)O1 PI-38606 [0,0,0,0,0,0|2,0,2]=4 26 B7R1.2 O=C1OCC(O)C1 PI-12958 [0,0,0,0,0,0|3,0,0]=3 27 B7R1.2 OC1CC(=O)NC1 PI-39044 [0,0,0,0,0,0|3,0,0]=3 28 B7R1.2 O[C@@H]1CC(=O)NC1 PI-15469 [0,0,0,0,0,0|3,0,0]=3 29 B7R1.2 O[C@H]1CC(=O)NC1 PI-15470 [0,0,0,0,0,0|3,0,0]=3 30 B7R1.2 O[C@H]1CC(=O)OC1 PI-28789 [0,0,0,0,0,0|3,0,0]=3 31 B6R1.2 C1C=CCC1N PI-35476 [1,0,0,0,0,0|2,0,1]=4 32 B6R1.2 C1CNCC1F PI-37496 [1,0,0,0,0,0|3,0,0]=4 33 B6R1.2 C1CNCC1N PI-12334 [1,0,0,0,0,0|3,0,0]=4 34 B6R1.2 C1CNCC1N PI-15467 [1,0,0,0,0,0|3,0,0]=4 35 B6R1.2 C1CNCC1N PI-15468 [1,0,0,0,0,0|3,0,0]=4 36 B6R1.2 C1CNCC1N PI-16581 [1,0,0,0,0,0|3,0,0]=4 37 B6R1.2 C1CNCC1N PI-16582 [1,0,0,0,0,0|3,0,0]=4 38 B6R1.2 C1CNCC1O PI-10126 [1,0,0,0,0,0|3,0,0]=4 39 B6R1.2 C1CNCC1O PI-42733 [1,0,0,0,0,0|3,0,0]=4 40 B6R1.2 C1COC(=O)N1 PI-10783 [1,0,0,0,0,0|1,0,0]=2 41 B6R1.2 C1COCC1Cl PI-42699 [1,0,0,0,0,0|3,0,0]=4 42 B6R1.2 C1COCC1N PI-42643 [1,0,0,0,0,0|3,0,0]=4 43 B6R1.2 C1COCC1N PI-44061 [1,0,0,0,0,0|3,0,0]=4 44 B6R1.2 C1COCC1O PI-42698 [1,0,0,0,0,0|3,0,0]=4 45 B6R1.2 C1CSC(=S)N1 PI-33314 [1,0,0,0,0,0|1,2,0]=4 46 B6R1.2 C1CSCC1=O PI-11167 [1,0,0,0,0,0|2,0,0]=3 47 B6R1.2 C1CSCC1O PI-48171 [1,0,0,0,0,0|3,0,0]=4 48 B6R1.2 C1OC(=O)C=C1 PI-37270 [1,0,0,0,0,0|0,0,2]=3 49 B6R1.2 CC1CCCN1 PI-35484 [1,0,0,0,0,0|1,0,1]=3 50 B6R1.2 CC1CCCN1 PI-35485 [1,0,0,0,0,0|1,0,1]=3 51 B6R1.2 CC1CCCS1 PI-47093 [1,0,0,0,0,0|0,1,1]=3 52 B6R1.2 CC1CCNC1 PI-48326 [1,0,0,0,0,0|2,0,0]=3 53 B6R1.2 CC1CNCC1 PI-36287 [1,0,0,0,0,0|2,0,0]=3 54 B6R1.2 CN1CCCC1 PI-49852 [1,0,0,0,0,0|2,0,1]=4 55 B6R1.2 C[C@@H]1CCNC1 PI-48327 [1,0,0,0,0,0|2,0,0]=3 56 B6R1.2 FC1CNCC1 PI-38496 [1,0,0,0,0,0|3,0,0]=4 57 B6R1.2 F[C@@H]1CNCC1 PI-37497 [1,0,0,0,0,0|3,0,0]=4 58 B6R1.2 IC1COCC1 PI-42701 [1,0,0,0,0,0|3,0,0]=4 59 B6R1.2 NC1=NCCS1 PI-15432 [1,0,0,0,0,0|2,1,0]=4 60 B6R1.2 NC1CCNC1 PI-42734 [1,0,0,0,0,0|3,0,0]=4 61 B6R1.2 NC1COCC1 PI-42705 [1,0,0,0,0,0|3,0,0]=4 62 B6R1.2 NN1CCCC1 PI-14899 [1,0,0,0,0,0|3,0,0]=4 63 B6R1.2 O=C1CC=CC1 PI-38266 [1,0,0,0,0,0|1,0,2]=4 64 B6R1.2 O=C1CCOC1 PI-42678 [1,0,0,0,0,0|2,0,0]=3 65 B6R1.2 O=C1NCNC1 PI-35001 [1,0,0,0,0,0|2,0,0]=3 66 B6R1.2 O=c1occo1 PI-15331 [1,0,0,0,0,0|1,0,2]=4 67 B6R1.2 OC1CC=CC1 PI-38265 [1,0,0,0,0,0|2,0,1]=4 68 B6R1.2 OC1COCC1 PI-20870 [1,0,0,0,0,0|3,0,0]=4 69 B6R1.2 O[C@@H]1CCOC1 PI-41161 [1,0,0,0,0,0|3,0,0]=4 70 B6R1.2 O[C@@H]1CNCC1 PI-10127 [1,0,0,0,0,0|3,0,0]=4 71 B6R1.2 O[C@@H]1CNCC1 PI-12902 [1,0,0,0,0,0|3,0,0]=4 72 B6R1.2 O[C@H]1CCOC1 PI-41160 [1,0,0,0,0,0|3,0,0]=4 73 B6R1.2 O[C@H]1CNCC1 PI-10148 [1,0,0,0,0,0|3,0,0]=4 74 B8R1.1 C1=CC(=O)OC1CO PI-27913 [0,1,0,0,0,0|0,0,2]=3 75 B8R1.1 C1C(OC(=O)N1)CCl PI-47082 [0,1,0,0,0,0|1,0,0]=2 76 B8R1.1 C1CC(=O)NC1CO PI-35695 [0,1,0,0,0,0|1,0,0]=2 77 B8R1.1 C=CC1CCC(=O)N1 PI-36755 [0,1,0,0,0,0|1,0,1]=3 78 B8R1.1 C=CC1CNC(=S)O1 PI-39624 [0,1,0,0,0,0|1,1,1]=4 79 B8R1.1 CC1=CC=C(O1)C=O PI-44598 [0,1,0,0,0,0|0,0,3]=4 80 B8R1.1 CCC1COC(=O)O1 PI-50185 [0,1,0,0,0,0|1,0,0]=2 81 B8R1.1 CN1CCC(C1)CN PI-23405 [0,1,0,0,0,0|3,0,0]=4 82 B8R1.1 CN1CC[C@H](C1)CO PI-48162 [0,1,0,0,0,0|3,0,0]=4 83 B8R1.1 COC1=CC(=O)NC1 PI-13575 [0,1,0,0,0,0|2,0,1]=4 84 B8R1.1 COC1=CC(=O)OC1 PI-27853 [0,1,0,0,0,0|2,0,1]=4 85 B8R1.1 OC[C@@H]1CCC(=O)N1 PI-35779 [0,1,0,0,0,0|1,0,0]=2 86 B8R1.1 OC[C@@H]1CCC(=O)O1 PI-27485 [0,1,0,0,0,0|0,0,0]=1 87 B8R1.18 CC1=C(OC(=O)O1)C PI-11457 [0,1,0,0,0,0|1,0,2]=4 88 B8R1.18 CC1=CC(=O)OC1O PI-11645 [0,1,0,0,0,0|1,0,2]=4 89 B8R1.18 CC1C(=O)C=C(O1)C PI-27174 [0,1,0,0,0,0|1,0,2]=4 90 B8R1.18 CC1CC(=O)N(C)N1 PI-32451 [0,1,0,0,0,0|3,0,0]=4 91 B8R1.18 CC1OC(=O)C(Br)C1 PI-27399 [0,1,0,0,0,0|0,0,0]=1 92 B8R1.18 O=C1NC(C(=O)O1)C PI-37628 [0,1,0,0,0,0|2,0,1]=4 93 B8R1.18 O=C1NC(C)C(=O)N1 PI-25739 [0,1,0,0,0,0|2,0,1]=4 94 B8R1.50 C1CC(=O)N(C1=O)Br PI-44937 [0,1,0,0,0,0|2,0,1]=4 95 B8R1.50 CC1=C(C(=O)CC1)O PI-11535 [0,1,0,0,0,0|1,0,1]=3 96 B8R1.50 CC1=C(C(=O)CO1)O PI-14302 [0,1,0,0,0,0|2,0,1]=4 97 B8R1.50 CC1C(CCC1=O)=O PI-12377 [0,1,0,0,0,0|2,0,1]=4 98 B8R1.50 O=C1CCC(=O)N1I PI-16522 [0,1,0,0,0,0|2,0,1]=4 99 B8R1.50 O=C1CCC(N1C)=O PI-37011 [0,1,0,0,0,0|2,0,1]=4 100 B8R1.51 CC1=NC(CO1)(C)C PI-46988 [0,1,0,0,0,0|3,0,0]=4 101 B8R1.51 CC1COS(=O)(=O)O1 PI-36914 [0,1,0,0,0,0|2,0,0]=3 102 B8R1.51 C[C@@H]1COS(=O)(=O)O1 PI-48357 [0,1,0,0,0,0|2,0,0]=3 103 B8R1.51 O=C1CO[Pt](=N)(=N)O1 PI-21859 [0,1,0,0,0,0|3,0,0]=4 104 B6R0.1 C(C(=O)NCO)Cl PI-29429 [0,0,1,0,0,0|3,0,0]=4 105 B6R0.1 CC#CC(=O)OC PI-48956 [0,0,1,0,0,0|2,0,1]=4 106 B6R0.1 CC(CC=O)SC PI-48524 [0,0,1,0,0,0|2,0,0]=3 107 B6R0.1 CCC(C)N=C=S PI-22956 [0,0,1,0,0,0|1,1,1]=4 108 B6R0.1 CCCC(=O)NN PI-23070 [0,0,1,0,0,0|3,0,0]=4 109 B6R0.1 CCCC(=O)SC PI-48512 [0,0,1,0,0,0|2,0,0]=3 110 B6R0.1 CCCC(CC)Cl PI-46859 [0,0,1,0,0,0|2,0,1]=4 111 B6R0.1 CCOC(=O)C#C PI-35147 [0,0,1,0,0,0|0,0,2]=3 112 B6R0.1 CCOC(=O)CBr PI-15815 [0,0,1,0,0,0|1,0,0]=2 113 B6R0.1 CCOC(=O)NC PI-50343 [0,0,1,0,0,0|1,0,0]=2 114 B6R0.1 CNCC(=O)OC PI-45586 [0,0,1,0,0,0|3,0,0]=4 115 B6R0.1 COC(=O)CCN PI-31148 [0,0,1,0,0,0|3,0,0]=4 116 B6R0.1 C\C(=N/O)\OCC PI-38013 [0,0,1,0,0,0|3,0,0]=4 117 B6R0.1 NNC(OCC)=O PI-28515 [0,0,1,0,0,0|2,0,0]=3 118 B6R0.1 O=C(OC)CCO PI-41038 [0,0,1,0,0,0|3,0,0]=4 119 B6R0.2 CC(=CC(=O)C)O PI-39500 [0,0,1,0,0,0|2,0,1]=4 120 B6R0.2 CC(=CC(=O)Cl)C PI-13707 [0,0,1,0,0,0|2,0,1]=4 121 B6R0.2 CC(=CC(=O)O)C PI-42632 [0,0,1,0,0,0|2,0,1]=4 122 B6R0.2 CC(=O)O[Si](C)C PI-23366 [0,0,1,0,0,0|0,1,0]=2 123 B6R0.2 CC(Br)OC(=O)C PI-36668 [0,0,1,0,0,0|1,0,0]=2 124 B6R0.2 CC(C)CC(=O)[O-] PI-18660 [0,0,1,0,0,0|2,0,0]=3 125 B6R0.2 CC(C)NC(C)C PI-41089 [0,0,1,0,0,0|2,0,1]=4 126 B6R0.2 CC(C)NC(C)C PI-45766 [0,0,1,0,0,0|2,0,1]=4 127 B6R0.2 CC(C)OC(=S)[S-] PI-47168 [0,0,1,0,0,0|1,1,0]=3 128 B6R0.2 CC(CC(=O)O)N PI-35438 [0,0,1,0,0,0|3,0,0]=4 129 B6R0.2 CC(CC(=O)O)N PI-35481 [0,0,1,0,0,0|3,0,0]=4 130 B6R0.2 CC(CC(=O)O)N PI-43821 [0,0,1,0,0,0|3,0,0]=4 131 B6R0.2 CC(CC(=O)O)O PI-47070 [0,0,1,0,0,0|3,0,0]=4 132 B6R0.2 CC(OC(=O)C)Cl PI-36669 [0,0,1,0,0,0|1,0,0]=2 133 B6R0.2 CC(OC(=O)Cl)Cl PI-22740 [0,0,1,0,0,0|2,0,0]=3 134 B6R0.2 CN(C)CC(=O)O PI-15416 [0,0,1,0,0,0|3,0,0]=4 135 B6R0.2 C[C@@H](N)CC(O)=O PI-42153 [0,0,1,0,0,0|3,0,0]=4 136 B6R0.2 C[C@H](N)CC(O)=O PI-35439 [0,0,1,0,0,0|3,0,0]=4 137 B6R0.2 C[S+](C)CC(=O)[O-] PI-45960 [0,0,1,0,0,0|3,0,0]=4 138 B6R0.2 C[Si](C)O[Si](C)C PI-46056 [0,0,1,0,0,0|1,2,0]=4 139 B6R0.2 C\C(=C/C(=O)C)\N PI-38617 [0,0,1,0,0,0|2,0,1]=4 140 B6R0.4 B(CCCC)(O)O PI-16470 [0,0,1,0,0,0|1,0,1]=3 141 B6R0.4 BrC\C=C\C(=O)O PI-36796 [0,0,1,0,0,0|1,0,2]=4 142 B6R0.4 C#CCCC(=O)O PI-30018 [0,0,1,0,0,0|0,0,2]=3 143 B6R0.4 C(C(=O)O)NC=O PI-33231 [0,0,1,0,0,0|2,0,1]=4 144 B6R0.4 C(CC(=O)O)C#N PI-35487 [0,0,1,0,0,0|1,0,1]=3 145 B6R0.4 CC(NCCS)=O PI-37034 [0,0,1,0,0,0|3,0,0]=4 146 B6R0.4 CC=CCC(=O)O PI-47130 [0,0,1,0,0,0|0,0,2]=3 147 B6R0.4 CCCCC(=O)[O-] PI-46856 [0,0,1,0,0,0|0,0,1]=2 148 B6R0.4 CCCCC(C)O PI-42555 [0,0,1,0,0,0|1,0,1]=3 149 B6R0.4 CCCC[C@@H](C)O PI-49839 [0,0,1,0,0,0|1,0,1]=3 150 B6R0.4 CCCNC(=O)N PI-19783 [0,0,1,0,0,0|2,0,0]=3 151 B6R0.4 CCNCC(=O)O PI-43211 [0,0,1,0,0,0|1,0,0]=2 152 B6R0.4 CSCCC(=O)O PI-31992 [0,0,1,0,0,0|1,0,0]=2 153 B6R0.4 ClCCCC(=O)C PI-39487 [0,0,1,0,0,0|2,0,0]=3 154 B6R0.4 NCCCC(=O)O PI-35917 [0,0,1,0,0,0|1,0,0]=2 155 B6R0.4 O=C(O)CCCBr PI-40017 [0,0,1,0,0,0|1,0,0]=2 156 B6R0.4 O=C(O)CCCCl PI-41227 [0,0,1,0,0,0|1,0,0]=2 157 B6R0.4 OCCCC(=O)C PI-13555 [0,0,1,0,0,0|2,0,0]=3 158 B6R0.4 [O-]C(=O)CNCO PI-36238 [0,0,1,0,0,0|2,0,1]=4 159 B6R1.5 C1C(CC1=O)N PI-48953 [0,0,0,0,1,0|2,0,0]=3 160 B8R1.3 CC1CCC(=O)CC1 PI-37804 [0,0,0,0,0,1|1,0,0]=2 161 B8R1.3 CC1CCC(CC1)N PI-12652 [0,0,0,0,0,1|2,0,1]=4 162 B8R1.3 CC1CCC(CC1)N PI-13103 [0,0,0,0,0,1|2,0,1]=4 163 B8R1.3 CC1CCC(CC1)N PI-13124 [0,0,0,0,0,1|2,0,1]=4 164 B8R1.3 CN1CCC(=O)CC1 PI-31482 [0,0,0,0,0,1|2,0,0]=3 165 B8R1.3 C[C@@H]1CC[C@H](CC1)O PI-22724 [0,0,0,0,0,1|1,0,2]=4 166 B8R1.3 O=C1CCC(=O)CC1 PI-13127 [0,0,0,0,0,1|2,0,1]=4 167 B8R1.4 C1C(=O)OC(=O)CS1 PI-30475 [0,0,0,0,0,1|1,0,1]=3 168 B8R1.4 C1CC(=CC(=O)C1)N PI-30679 [0,0,0,0,0,1|2,0,1]=4 169 B8R1.4 C1CC(=O)NC(=O)C1 PI-44532 [0,0,0,0,0,1|2,0,1]=4 170 B8R1.4 CC1CC(CNC1)C PI-32523 [0,0,0,0,0,1|2,0,1]=4 171 B8R1.4 CC1CCCC(=O)N1 PI-35204 [0,0,0,0,0,1|1,0,0]=2 172 B8R1.4 CC1CCNC(C1)C PI-11063 [0,0,0,0,0,1|2,0,1]=4 173 B8R1.4 CC1CN(CCN1)C PI-40975 [0,0,0,0,0,1|3,0,0]=4 174 B8R1.4 CC1CNCC(N1)C PI-11769 [0,0,0,0,0,1|2,0,1]=4 175 B8R1.4 C[C@@H]1CNC[C@@H](O1)C PI-12868 [0,0,0,0,0,1|1,0,1]=3 176 B8R1.4 O=C1CCCC(=O)C1 PI-32070 [0,0,0,0,0,1|2,0,1]=4 177 B8R1.4 O=C1CCC[C@@H](C)O1 PI-27587 [0,0,0,0,0,1|0,0,0]=1 178 B8R1.4 O=C1CCNC(=O)C1 PI-35208 [0,0,0,0,0,1|2,0,1]=4 179 B8R1.4 O=C1CCOC(C1)C PI-40554 [0,0,0,0,0,1|1,0,0]=2 180 B8R1.4 O=C1COCC(=O)O1 PI-29602 [0,0,0,0,0,1|1,0,1]=3 181 B8R1.4 O=C1NCCC(O)C1 PI-37263 [0,0,0,0,0,1|2,0,0]=3 182 B8R1.4 O=C1NCCN(C)C1 PI-41916 [0,0,0,0,0,1|2,0,0]=3 183 B5R0.1 B(CCC)(O)O PI-35885 [1,0,1,0,0,0|1,0,1]=4 184 B5R0.1 C(CBr)C(=O)Cl PI-47061 [1,0,1,0,0,0|2,0,0]=4 185 B5R0.1 C(CCl)C(=O)Cl PI-48842 [1,0,1,0,0,0|2,0,0]=4 186 B5R0.1 CC#CC(=O)O PI-12861 [1,0,1,0,0,0|0,0,2]=4 187 B5R0.1 CC(=O)NCO PI-29791 [1,0,1,0,0,0|2,0,0]=4 188 B5R0.1 CC(CCO)N PI-34839 [1,0,1,0,0,0|1,0,1]=4 189 B5R0.1 CC(CCO)N PI-35494 [1,0,1,0,0,0|1,0,1]=4 190 B5R0.1 CC(CCO)O PI-15618 [1,0,1,0,0,0|0,0,1]=3 191 B5R0.1 CC=CC(=O)C PI-45740 [1,0,1,0,0,0|1,0,1]=4 192 B5R0.1 CCCC(=O)N PI-32787 [1,0,1,0,0,0|1,0,0]=3 193 B5R0.1 CCCC(C)N PI-36925 [1,0,1,0,0,0|1,0,1]=4 194 B5R0.1 CCCC(C)O PI-42533 [1,0,1,0,0,0|0,0,1]=3 195 B5R0.1 CCC[C@@H](O)C PI-42532 [1,0,1,0,0,0|0,0,1]=3 196 B5R0.1 CCOC(=O)C PI-13192 [1,0,1,0,0,0|0,0,0]=2 197 B5R0.1 CCOC(=S)[S-] PI-47063 [1,0,1,0,0,0|1,1,0]=4 198 B5R0.1 CCO[Si](C)C PI-50089 [1,0,1,0,0,0|0,1,1]=4 199 B5R0.1 CCSC(=O)C PI-48509 [1,0,1,0,0,0|0,1,0]=3 200 B5R0.1 CCSC(=O)Cl PI-38596 [1,0,1,0,0,0|1,1,0]=4 201 B5R0.1 CNCC(=O)O PI-45053 [1,0,1,0,0,0|1,0,0]=3 202 B5R0.1 COCC(O)C PI-12912 [1,0,1,0,0,0|1,0,1]=4 203 B5R0.1 CSCC(=O)N PI-36555 [1,0,1,0,0,0|2,0,0]=4 204 B5R0.1 C[C@H](CCO)N PI-35493 [1,0,1,0,0,0|1,0,1]=4 205 B5R0.1 C\C=C\C(=O)O PI-48966 [1,0,1,0,0,0|0,0,2]=4 206 B5R0.1 NC(CCC)=N PI-37197 [1,0,1,0,0,0|2,0,0]=4 207 B5R0.1 NCCC(=O)O PI-14317 [1,0,1,0,0,0|1,0,0]=3 208 B5R0.1 O=C(O)CCS PI-40342 [1,0,1,0,0,0|1,0,0]=3 209 B5R0.1 O=C=NC(C)C PI-11403 [1,0,1,0,0,0|1,0,1]=4 210 B5R0.1 OC(CON)=O PI-37190 [1,0,1,0,0,0|2,0,0]=4 211 B5R0.1 OCCC(=O)O PI-20855 [1,0,1,0,0,0|1,0,0]=3 212 B5R0.1 OCC[C@H](O)C PI-15617 [1,0,1,0,0,0|0,0,1]=3 213 B5R0.2 BrCCCC=C PI-39146 [1,0,1,0,0,0|2,0,0]=4 214 B5R0.2 C(CCCl)CO PI-15813 [1,0,1,0,0,0|1,0,1]=4 215 B5R0.2 C=COCCO PI-12735 [1,0,1,0,0,0|2,0,0]=4 216 B5R0.2 CCO\C=C\C PI-12734 [1,0,1,0,0,0|0,0,1]=3 217 B5R0.2 CCSSCC PI-45874 [1,0,1,0,0,0|1,1,0]=4 218 B5R0.2 COCCC=O PI-45882 [1,0,1,0,0,0|1,0,0]=3 219 B5R0.2 COCCCO PI-10094 [1,0,1,0,0,0|1,0,1]=4 220 B5R0.2 CSCCC=O PI-45744 [1,0,1,0,0,0|1,0,0]=3 221 B5R0.2 NCCCCO PI-38298 [1,0,1,0,0,0|1,0,1]=4 222 B5R0.2 O=CCCC=O PI-14232 [1,0,1,0,0,0|0,0,2]=4 223 B5R0.2 OCCCC#C PI-13238 [1,0,1,0,0,0|1,0,1]=4 224 B5R0.2 OCCCC=C PI-13243 [1,0,1,0,0,0|1,0,0]=3 225 B5R0.2 OCCCCBr PI-12762 [1,0,1,0,0,0|1,0,1]=4 226 B5R0.3 C(C(C=O)O)O PI-14881 [1,0,1,0,0,0|2,0,0]=4 227 B5R0.3 CCC(=C)C=O PI-44654 [1,0,1,0,0,0|0,0,2]=4 228 B5R0.3 CCC(=O)CBr PI-20588 [1,0,1,0,0,0|1,0,0]=3 229 B5R0.3 CCC(=O)NN PI-50290 [1,0,1,0,0,0|2,0,0]=4 230 B5R0.3 CNC(=O)CCl PI-39443 [1,0,1,0,0,0|2,0,0]=4 231 B5R0.3 COC(=O)C#C PI-35828 [1,0,1,0,0,0|0,0,2]=4 232 B5R0.3 O=C[C@@H](O)CO PI-14882 [1,0,1,0,0,0|2,0,0]=4 233 B5R1.1 C1C=CCN1 PI-36315 [2,0,0,0,0,0|2,0,0]=4 234 B5R1.1 C1C=CCN1 PI-40188 [2,0,0,0,0,0|2,0,0]=4 235 B5R1.1 C1COC=C1 PI-45414 [2,0,0,0,0,0|0,0,1]=3 236 B7R0.2 CC(C)OC(=O)CO PI-35449 [0,1,1,0,0,0|1,0,0]=3 237 B7R0.2 CC(CC(=O)OC)N PI-42254 [0,1,1,0,0,0|2,0,0]=4 238 B7R0.2 CC(CC(=O)OC)O PI-42249 [0,1,1,0,0,0|2,0,0]=4 239 B7R0.2 CC(CC(=O)OC)O PI-42250 [0,1,1,0,0,0|2,0,0]=4 240 B7R0.2 CC(OC(=O)OC)Cl PI-49210 [0,1,1,0,0,0|1,0,0]=3 241 B7R0.2 CCC(C)NC(=O)N PI-19842 [0,1,1,0,0,0|1,0,0]=3 242 B7R0.2 COC(=O)CC(C)N PI-42155 [0,1,1,0,0,0|2,0,0]=4 243 B7R0.2 C[C@@H](N)CC(OC)=O PI-42154 [0,1,1,0,0,0|2,0,0]=4 244 B7R0.2 C[C@H](N)CC(OC)=O PI-42253 [0,1,1,0,0,0|2,0,0]=4 245 B7R0.2 O=C(OC(C)C)CN PI-46621 [0,1,1,0,0,0|1,0,0]=3 246 B7R0.3 COC(=O)CCCBr PI-44980 [0,1,1,0,0,0|2,0,0]=4 247 B7R0.3 COC(=O)CCCN PI-42165 [0,1,1,0,0,0|2,0,0]=4 248 B7R0.3 COC(=O)CCSC PI-45979 [0,1,1,0,0,0|2,0,0]=4 249 B7R0.3 O=C(OC)CCNC PI-40057 [0,1,1,0,0,0|2,0,0]=4 250 B7R0.5 CCOC(=O)C(=C)Br PI-35460 [0,1,1,0,0,0|0,0,2]=4 251 B7R0.5 CCOC(=O)C(=S)N PI-34781 [0,1,1,0,0,0|1,0,1]=4 252 B7R0.5 CCOC(=O)C(Br)F PI-13394 [0,1,1,0,0,0|1,0,0]=3 253 B7R0.5 CCOC(=O)C(C)Br PI-44612 [0,1,1,0,0,0|0,0,0]=2 254 B7R0.5 CCOC(=O)C(C)Cl PI-21896 [0,1,1,0,0,0|0,0,0]=2 255 B7R0.5 CCOC(=O)C(C)F PI-12305 [0,1,1,0,0,0|0,0,0]=2 256 B7R0.5 CCOC(=O)C(F)Cl PI-49444 [0,1,1,0,0,0|1,0,0]=3 257 B7R0.5 CCOC(=O)C(F)F PI-24421 [0,1,1,0,0,0|1,0,0]=3 258 B7R0.5 CCOC(=O)C(F)I PI-49445 [0,1,1,0,0,0|1,0,0]=3 259 B7R0.5 CCOC(=O)C(N)C PI-10064 [0,1,1,0,0,0|0,0,0]=2 260 B7R0.5 CCOC(=O)[C@@H](N)C PI-31019 [0,1,1,0,0,0|0,0,0]=2 261 B7R0.7 C(CCl)C(=O)CCCl PI-12892 [0,1,1,0,0,0|2,0,0]=4 262 B7R0.7 CCCC(=O)OCCl PI-36667 [0,1,1,0,0,0|1,0,0]=3 263 B7R0.7 CCOC(=O)C#CC PI-22064 [0,1,1,0,0,0|0,0,1]=3 264 B7R0.7 CCOC(=O)COC PI-50353 [0,1,1,0,0,0|0,0,0]=2 265 B7R0.7 CCOC(=O)CSC PI-39857 [0,1,1,0,0,0|0,0,0]=2 266 B7R0.7 CCOC(=O)C[N+]#[C-] PI-50608 [0,1,1,0,0,0|0,0,1]=3 267 B7R0.7 CCOC(=O)N=C=S PI-36556 [0,1,1,0,0,0|1,0,1]=4 268 B7R0.7 CNCC(=O)OCC PI-30682 [0,1,1,0,0,0|0,0,0]=2 269 B7R0.7 NCCC(=O)OCC PI-33213 [0,1,1,0,0,0|0,0,0]=2 270 B7R0.7 OCCC(=O)OCC PI-39562 [0,1,1,0,0,0|0,0,0]=2 271 B7R0.10 CCC(C(=O)CC)O PI-47068 [0,1,1,0,0,0|1,0,0]=3 272 B7R0.10 CCC(N)C(OC)=O PI-42163 [0,1,1,0,0,0|2,0,0]=4 273 B7R0.10 CC[C@@H](C(OC)=O)N PI-42161 [0,1,1,0,0,0|2,0,0]=4 274 B7R0.10 CC[C@H](C(=O)OC)N PI-48278 [0,1,1,0,0,0|2,0,0]=4 275 B7R0.9 CC(=C)O[Si](C)(C)C PI-38837 [0,1,1,0,0,0|1,1,0]=4 276 B7R0.9 CC(=O)CC(C)(C)C PI-21968 [0,1,1,0,0,0|1,0,0]=3 277 B7R0.9 CC(=O)N[Si](C)(C)C PI-35306 [0,1,1,0,0,0|1,1,0]=4 278 B7R0.9 CC(=O)OC(C)(C)C PI-32776 [0,1,1,0,0,0|0,0,0]=2 279 B7R0.9 CC(=O)O[Si](C)(C)C PI-35315 [0,1,1,0,0,0|0,1,0]=3 280 B7R0.9 CC(C)(Br)CC(O)=O PI-46614 [0,1,1,0,0,0|2,0,0]=4 281 B7R0.9 CC(C)(C)OC(=O)N PI-43374 [0,1,1,0,0,0|1,0,0]=3 282 B7R0.9 CC(C)(CC(=O)[O-])O PI-26114 [0,1,1,0,0,0|2,0,0]=4 283 B7R0.9 CC(C)O[Si](C)(C)C PI-45124 [0,1,1,0,0,0|1,1,0]=4 284 B7R0.9 ClC(=O)CC(C)(C)C PI-11617 [0,1,1,0,0,0|2,0,0]=4 285 B7R0.9 OC(=O)CC(C)(C)C PI-11616 [0,1,1,0,0,0|2,0,0]=4 286 B7R0.16 CC(C)C(=O)C(=O)[O-] PI-12948 [0,1,1,0,0,0|2,0,0]=4 287 B7R0.16 CC(C)C(=O)C(=O)[O-] PI-18612 [0,1,1,0,0,0|2,0,0]=4 288 B7R0.16 CC(C)C(C(=O)O)Br PI-22142 [0,1,1,0,0,0|2,0,0]=4 289 B7R0.16 CC(C)C(C(=O)O)Br PI-22143 [0,1,1,0,0,0|2,0,0]=4 290 B7R0.16 CC(C)C(C(=O)O)Br PI-22144 [0,1,1,0,0,0|2,0,0]=4 291 B7R0.16 N[C@H](C(C)C)C(N)=O PI-42206 [0,1,1,0,0,0|2,0,0]=4 292 B7R0.16 N[C@H](C(C)C)C(O)=O PI-16566 [0,1,1,0,0,0|2,0,0]=4 293 B7R0.16 OC(C(C)C)C(=O)O PI-27567 [0,1,1,0,0,0|2,0,0]=4 294 B7R0.4 BrCCCCC(=O)Cl PI-15616 [0,1,1,0,0,0|1,0,0]=3 295 B7R0.4 BrCCCCC(=O)O PI-11341 [0,1,1,0,0,0|0,0,0]=2 296 B7R0.4 C#CCCCC(O)=O PI-37286 [0,1,1,0,0,0|0,0,1]=3 297 B7R0.4 C(CCBr)CC(=O)[O-] PI-41801 [0,1,1,0,0,0|0,0,1]=3 298 B7R0.4 C(CCCl)CC(=O)Cl PI-44721 [0,1,1,0,0,0|1,0,0]=3 299 B7R0.4 C(CNCC(=O)O)N PI-47160 [0,1,1,0,0,0|1,0,0]=3 300 B7R0.4 CC(=O)CCCCCl PI-28023 [0,1,1,0,0,0|1,0,0]=3 301 B7R0.4 CCCCCB(O)O PI-37261 [0,1,1,0,0,0|1,0,1]=4 302 B7R0.4 CCCCC[C@@H](C)O PI-49829 [0,1,1,0,0,0|1,0,1]=4 303 B7R0.4 CCCCNC(=S)N PI-23056 [0,1,1,0,0,0|1,1,0]=4 304 B7R0.4 CCCCOC(=S)[S-] PI-47064 [0,1,1,0,0,0|0,2,0]=4 305 B7R0.4 CCCOCC(=O)O PI-32592 [0,1,1,0,0,0|0,0,0]=2 306 B7R0.4 CCO\C=C\C(=O)O PI-41236 [0,1,1,0,0,0|0,0,2]=4 307 B7R0.4 COCCOC(=O)C PI-12910 [0,1,1,0,0,0|2,0,0]=4 308 B7R0.4 NCCCCC(=O)O PI-30804 [0,1,1,0,0,0|0,0,0]=2 309 B7R0.4 O=C(O)CNCC=C PI-37297 [0,1,1,0,0,0|0,0,2]=4 310 B7R0.4 OC(=O)CCCCN PI-40783 [0,1,1,0,0,0|0,0,0]=2 311 B7R0.6 C(C[N+](=O)[O-])C(=O)O PI-41737 [0,1,1,0,0,0|2,0,0]=4 312 B7R0.6 CC(=O)CCC(=O)C PI-48500 [0,1,1,0,0,0|0,0,2]=4 313 B7R0.6 CC(=O)NCC(=O)O PI-33247 [0,1,1,0,0,0|1,0,1]=4 314 B7R0.6 CC(=O)OCC(=O)O PI-26120 [0,1,1,0,0,0|1,0,1]=4 315 B7R0.6 CC(C)CCC(=O)O PI-25767 [0,1,1,0,0,0|0,0,0]=2 316 B7R0.6 CC(C)CCC(C)O PI-30803 [0,1,1,0,0,0|1,0,1]=4 317 B7R0.6 C[C@H](O)CC[C@H](C)O PI-20708 [0,1,1,0,0,0|0,0,2]=4 318 B7R0.6 C[S+](C)CCC(=O)O PI-45961 [0,1,1,0,0,0|1,0,0]=3 319 B7R0.8 C(CN)CP(=O)(O)O PI-19098 [0,1,1,0,0,0|2,0,0]=4 320 B7R0.8 O=S(CCCN)(O)=O PI-42473 [0,1,1,0,0,0|2,0,0]=4 321 B7R1.1 C1CC(NC1)CN PI-35678 [1,1,0,0,0,0|1,0,1]=4 322 B7R1.1 C1CC(OC1)CBr PI-30089 [1,1,0,0,0,0|0,0,1]=3 323 B7R1.1 C1CCC(C1)CO PI-44131 [1,1,0,0,0,0|1,0,1]=4 324 B7R1.1 C1CCN(C1)N=O PI-47048 [1,1,0,0,0,0|2,0,0]=4 325 B7R1.1 C1CNCC1CO PI-40189 [1,1,0,0,0,0|2,0,0]=4 326 B7R1.1 C1CNCC1CO PI-40190 [1,1,0,0,0,0|2,0,0]=4 327 B7R1.1 C1COCC1CBr PI-42703 [1,1,0,0,0,0|2,0,0]=4 328 B7R1.1 C1COCC1CCl PI-42702 [1,1,0,0,0,0|2,0,0]=4 329 B7R1.1 C1COCC1CO PI-41224 [1,1,0,0,0,0|2,0,0]=4 330 B7R1.1 COC1OCCO1 PI-47112 [1,1,0,0,0,0|1,0,1]=4 331 B7R1.1 ICC1COCC1 PI-42704 [1,1,0,0,0,0|2,0,0]=4 332 B7R1.1 O=CC1=CCCC1 PI-39104 [1,1,0,0,0,0|1,0,0]=3 333 B7R1.1 OCC1CC=CC1 PI-35499 [1,1,0,0,0,0|1,0,1]=4 334 B7R1.1 OC[C@@H]1CCCN1 PI-16636 [1,1,0,0,0,0|1,0,1]=4 335 B7R1.1 OC[C@H]1CCCN1 PI-16475 [1,1,0,0,0,0|1,0,1]=4 336 B7R1.4 BrC1=C(Br)CCC1 PI-24605 [1,1,0,0,0,0|2,0,0]=4 337 B7R1.4 BrC1CCOC1=O PI-37275 [1,1,0,0,0,0|0,0,0]=2 338 B7R1.4 C1C(C(=O)NO1)N PI-16473 [1,1,0,0,0,0|2,0,0]=4 339 B7R1.4 C1CNC(=O)C1N PI-48181 [1,1,0,0,0,0|1,0,0]=3 340 B7R1.4 C1CNC(=O)[C@@H]1N PI-48183 [1,1,0,0,0,0|1,0,0]=3 341 B7R1.4 C1CNC(=O)[C@H]1N PI-48182 [1,1,0,0,0,0|1,0,0]=3 342 B7R1.4 C1COC(=O)C1N PI-45116 [1,1,0,0,0,0|0,0,0]=2 343 B7R1.4 C1COC(C1Cl)Cl PI-13234 [1,1,0,0,0,0|1,0,1]=4 344 B7R1.4 C=C1CCOC1=O PI-13231 [1,1,0,0,0,0|0,0,1]=3 345 B7R1.4 CC1=CCOC1=O PI-46986 [1,1,0,0,0,0|0,0,2]=4 346 B7R1.4 CC1C(=O)CCO1 PI-14228 [1,1,0,0,0,0|0,0,2]=4 347 B7R1.4 CC1C(CCO1)S PI-14229 [1,1,0,0,0,0|0,0,1]=3 348 B7R1.4 NC1CONC1=O PI-38463 [1,1,0,0,0,0|2,0,0]=4 349 B7R1.4 O=C1NCCC1C PI-27005 [1,1,0,0,0,0|1,0,0]=3 350 B7R1.4 O=C1OCC[C@@H]1O PI-38131 [1,1,0,0,0,0|0,0,0]=2 351 B7R1.4 O=C1OCC[C@H]1N PI-39306 [1,1,0,0,0,0|0,0,0]=2 352 B7R1.14 CC1(O)CCCC1 PI-36469 [1,1,0,0,0,0|1,0,1]=4 353 B7R1.14 ClP1(=O)OCCO1 PI-37338 [1,1,0,0,0,0|2,0,0]=4 354 B7R1.14 O=S1(=O)CCCO1 PI-32116 [1,1,0,0,0,0|1,0,0]=3 355 B7R1.14 O=S1(=O)OCCO1 PI-36774 [1,1,0,0,0,0|2,0,0]=4 356 B7R1.10 O=C1CC(OC)C1 PI-46660 [0,1,0,0,1,0|1,0,0]=3 357 B9R1.1 CCC1CCC(=O)CC1 PI-36670 [0,1,0,0,0,1|1,0,0]=3 358 B9R1.1 CCN1CCC(=O)CC1 PI-14889 [0,1,0,0,0,1|2,0,0]=4 359 B9R1.1 COC1CCC(CC1)=O PI-40302 [0,1,0,0,0,1|1,0,0]=3 360 B9R1.1 O=C1CCC(CO)CC1 PI-41917 [0,1,0,0,0,1|1,0,0]=3 361 B9R1.1 O=CC1CCC(CC1)=O PI-36571 [0,1,0,0,0,1|1,0,1]=4 362 B9R1.10 O=C1CCC(F)(F)CC1 PI-37161 [0,1,0,0,0,1|2,0,0]=4 363 B9R1.10 O=C1COC(OC1)(C)C PI-35873 [0,1,0,0,0,1|1,0,0]=3 364 B9R1.69 C1CC(=O)NC(=O)C1N PI-40871 [0,1,0,0,0,1|2,0,0]=4 365 B9R1.69 O=C1C(C)CN(C)CC1 PI-41312 [0,1,0,0,0,1|2,0,0]=4 366 B9R1.34 CC1CC(=O)CC(=O)C1 PI-30620 [0,1,0,0,0,1|1,0,0]=3 367 B9R1.34 CC1CC(CC(=O)C1)C PI-47230 [0,1,0,0,0,1|1,0,0]=3 368 B9R1.66 O=C1CC(C)(C)CCC1 PI-42382 [0,1,0,0,0,1|1,0,0]=3 369 B9R1.7 CCCC1CC(=O)OC1 PI-44369 [0,2,0,0,0,0|2,0,0]=4 370 B9R1.21 COC1CCC(O1)OC PI-34102 [0,2,0,0,0,0|0,0,2]=4 371 B9R1.21 OC[C@@H]1CC[C@@H](O1)CO PI-38384 [0,2,0,0,0,0|0,0,2]=4 372 B9R1.22 OC[C@@H]1OC(O)C[C@H]1O PI-11363 [0,2,0,0,0,0|0,0,2]=4 373 B9R1.35 C1CC(=O)NC1C(=O)O PI-10056 [0,2,0,0,0,0|1,0,1]=4 374 B9R1.35 CC(C)C1COC(=O)N1 PI-10341 [0,2,0,0,0,0|2,0,0]=4 375 B9R1.35 CC(C)C1COC(=O)N1 PI-10342 [0,2,0,0,0,0|2,0,0]=4 376 B9R1.35 O=C1CCC(C1)C(=O)O PI-34867 [0,2,0,0,0,0|1,0,1]=4 377 B9R1.35 O=C1CC[C@H](N1)C(=O)O PI-33313 [0,2,0,0,0,0|1,0,1]=4 378 B9R1.35 O=C1CC[C@H](O1)C(=O)O PI-39065 [0,2,0,0,0,0|0,0,1]=3 379 B9R1.132 CCC1=C(C(=O)CC1)O PI-47191 [0,2,0,0,0,0|1,0,1]=4 380 B9R1.133 O=C[C@H]1COC(O1)(C)C PI-28173 [0,2,0,0,0,0|1,0,1]=4 381 B9R1.37 CC1C(=C(C(=O)O1)O)C PI-47190 [0,2,0,0,0,0|0,0,2]=4 382 B9R1.37 CC1CC(=O)C(=O)C1C PI-47192 [0,2,0,0,0,0|1,0,0]=3 383 B9R1.37 CC1CC(C(=O)C1=O)C PI-47193 [0,2,0,0,0,0|1,0,0]=3 384 B9R1.38 CC1(CC(=O)OC1=C)C PI-27827 [0,2,0,0,0,0|0,0,2]=4 385 B9R1.38 O=C1NC(=O)C(C)(C)O1 PI-13286 [0,2,0,0,0,0|1,0,1]=4 386 B9R1.138 CC1(C)COC(=O)C1O PI-27920 [0,2,0,0,0,0|2,0,0]=4 387 B9R1.138 CC1(COC(=O)C1O)C PI-18732 [0,2,0,0,0,0|2,0,0]=4 388 B9R1.138 O=C1OCC(C)(C)[C@@H]1O PI-27686 [0,2,0,0,0,0|2,0,0]=4 389 B7R1.3 C1CC(=O)COC1 PI-39263 [0,0,1,1,0,0|2,0,0]=4 390 B7R1.3 C1CCC(=CC1)Cl PI-46532 [0,0,1,1,0,0|2,0,0]=4 391 B7R1.3 C1CCNC(=O)C1 PI-40996 [0,0,1,1,0,0|1,0,0]=3 392 B7R1.3 C1CNCCC1=O PI-43209 [0,0,1,1,0,0|2,0,0]=4 393 B7R1.3 C1COC(=O)C=C1 PI-47083 [0,0,1,1,0,0|0,0,2]=4 394 B7R1.3 C1COCCC1=O PI-47224 [0,0,1,1,0,0|2,0,0]=4 395 B7R1.3 CC1=CCCCC1 PI-42686 [0,0,1,1,0,0|2,0,0]=4 396 B7R1.3 CC1CCOCO1 PI-47110 [0,0,1,1,0,0|0,0,2]=4 397 B7R1.3 O=C1CCCCO1 PI-37295 [0,0,1,1,0,0|0,0,0]=2 398 B7R1.3 O=C1CCCNC1 PI-35479 [0,0,1,1,0,0|2,0,0]=4 399 B7R1.3 O=C1CCNCC1 PI-12489 [0,0,1,1,0,0|2,0,0]=4 400 B7R1.3 O=C1CCNCC1 PI-37237 [0,0,1,1,0,0|2,0,0]=4 401 B7R1.3 O=C1CCOCC1 PI-13776 [0,0,1,1,0,0|2,0,0]=4 402 B7R1.3 O=C1CCSCC1 PI-40196 [0,0,1,1,0,0|2,0,0]=4 403 B7R1.3 O=C1COCCN1 PI-38277 [0,0,1,1,0,0|2,0,0]=4 404 B7R1.3 O=C1COCCO1 PI-44056 [0,0,1,1,0,0|1,0,0]=3 405 B7R1.3 O=C1NCCNC1 PI-31800 [0,0,1,1,0,0|2,0,0]=4 406 B7R1.22 COC(=O)C1CC1 PI-32774 [0,0,1,1,0,0|2,0,0]=4 407 B7R1.20 OC(=O)CC1CC1 PI-13559 [0,0,1,1,0,0|2,0,0]=4 408 B7R1.7 C=CCCC1CO1 PI-41845 [0,0,1,1,0,0|1,0,0]=3 409 B7R1.7 C=CCC[C@H]1CO1 PI-48268 [0,0,1,1,0,0|1,0,0]=3 410 B7R1.18 C1C(CN1)C(=O)O PI-49248 [0,0,1,1,0,0|1,0,0]=3 411 B7R1.18 C1CC(C1)C(=O)O PI-16540 [0,0,1,1,0,0|0,0,0]=2 412 B7R1.18 ClC(=O)C1CCC1 PI-13205 [0,0,1,1,0,0|1,0,0]=3 413 B7R1.18 OC(=O)C1CCN1 PI-25003 [0,0,1,1,0,0|1,0,0]=3 414 B7R1.18 OC(=O)C1CNC1 PI-14151 [0,0,1,1,0,0|1,0,0]=3 415 B7R1.18 OC(=O)[C@@H]1CCN1 PI-14152 [0,0,1,1,0,0|1,0,0]=3 416 B7R1.18 OC(=O)[C@H]1CCN1 PI-25834 [0,0,1,1,0,0|1,0,0]=3 417 B9R2.39 C1C2C=CC1NC2=O PI-12433 [0,0,0,1,0,1|1,0,1]=4 418 B9R2.39 C1[C@@H]2C=C[C@H]1NC2=O PI-12431 [0,0,0,1,0,1|1,0,1]=4 419 B9R2.39 O=C1N[C@@H]2C=C[C@H]1C2 PI-12432 [0,0,0,1,0,1|1,0,1]=4 420 B5R0.5 CC(=C)C(=O)C PI-41913 [0,0,1,0,1,0|0,0,2]=4 421 B5R0.5 CC(C(=O)C)Br PI-35002 [0,0,1,0,1,0|1,0,0]=3 422 B5R0.5 CC(C(=O)C)S PI-48502 [0,0,1,0,1,0|1,0,0]=3 423 B5R0.5 CC(C(=O)Cl)Cl PI-45764 [0,0,1,0,1,0|2,0,0]=4 424 B5R0.5 CC(C(=O)Cl)Cl PI-45765 [0,0,1,0,1,0|2,0,0]=4 425 B5R0.5 CC(C(=O)Cl)Cl PI-49052 [0,0,1,0,1,0|2,0,0]=4 426 B5R0.5 CC(C(=O)N)C PI-28643 [0,0,1,0,1,0|1,0,0]=3 427 B5R0.5 CC(C(=O)N)N PI-16292 [0,0,1,0,1,0|2,0,0]=4 428 B5R0.5 CC(C(=O)N)N PI-42205 [0,0,1,0,1,0|2,0,0]=4 429 B5R0.5 CC(C(=O)O)Br PI-47030 [0,0,1,0,1,0|2,0,0]=4 430 B5R0.5 CC(C(=O)O)Cl PI-28351 [0,0,1,0,1,0|2,0,0]=4 431 B5R0.5 CC(C(=O)O)F PI-40363 [0,0,1,0,1,0|2,0,0]=4 432 B5R0.5 CC(C(=O)[O-])O PI-14769 [0,0,1,0,1,0|2,0,0]=4 433 B5R0.5 CN(C)C(=O)N PI-50675 [0,0,1,0,1,0|2,0,0]=4 434 B5R0.5 C[C@@H](N)C(=O)O PI-16471 [0,0,1,0,1,0|2,0,0]=4 435 B5R0.5 C[C@H](C(=O)O)O PI-36770 [0,0,1,0,1,0|2,0,0]=4 436 B5R0.5 N[C@@H](C)C(O)=O PI-41727 [0,0,1,0,1,0|2,0,0]=4 437 B5R1.2 BrC1CCC1 PI-37245 [1,0,0,0,1,0|1,0,1]=4 438 B5R1.2 C1C(=O)CN1 PI-48919 [1,0,0,0,1,0|1,0,0]=3 439 B5R1.2 NC1CCC1 PI-15786 [1,0,0,0,1,0|1,0,1]=4 440 B5R1.2 O=C1CCC1 PI-36783 [1,0,0,0,1,0|0,0,0]=2 441 B5R1.2 O=C1COC1 PI-38969 [1,0,0,0,1,0|1,0,0]=3 442 B9R1.49 CN1CCC(=O)NCC1 PI-48290 [0,0,0,0,0,2|2,0,0]=4 443 B9R1.49 CN1CCCC(=O)CC1 PI-45965 [0,0,0,0,0,2|2,0,0]=4