0 B6R0.1 C[C@@H](CO)CCO AMY37668 [0,0,0,0,0,0|2,0,2]=4 1 B6R0.1 C[C@H](CN)CCN AMY1782 [0,0,0,0,0,0|3,0,1]=4 2 B6R0.1 C[C@H](CO)CCO AMY37676 [0,0,0,0,0,0|2,0,2]=4 3 B5R0.1 C=CCC(C)=O AMY31929 [1,0,0,0,0,0|1,1,1]=4 4 B5R0.1 C=CC[C@H](C)N AM9152 [1,0,0,0,0,0|2,0,0]=3 5 B5R0.1 C=CC[C@H](C)O AM804193 [1,0,0,0,0,0|1,1,0]=3 6 B5R0.1 CC(C)=CC=O AMY42093 [1,0,0,0,0,0|0,0,2]=3 7 B5R0.1 CC(C)CNN AM806328 [1,0,0,0,0,0|2,0,0]=3 8 B5R0.1 CC(C)CNN AM9787 [1,0,0,0,0,0|2,0,0]=3 9 B5R0.1 CC(C)CON AMY31434 [1,0,0,0,0,0|2,0,0]=3 10 B5R0.1 CC(C)OCCl AMY23885 [1,0,0,0,0,0|2,0,1]=4 11 B5R0.1 CC(C)\C=N\O AMY37290 [1,0,0,0,0,0|1,0,2]=4 12 B5R0.1 CCC[C@H](C)N AMY12548 [1,0,0,0,0,0|2,0,1]=4 13 B5R0.1 CCNC(C)C AMY13342 [1,0,0,0,0,0|2,0,1]=4 14 B5R0.1 CN(C)CCBr AM84884 [1,0,0,0,0,0|2,0,1]=4 15 B5R0.1 CN(C)CCCl AM20080022 [1,0,0,0,0,0|2,0,1]=4 16 B5R0.1 CN(C)CCCl AM20100171 [1,0,0,0,0,0|2,0,1]=4 17 B5R0.1 CN(C)CCN AM20080032 [1,0,0,0,0,0|2,0,1]=4 18 B5R0.1 COC[C@@H](C)N AMY19545 [1,0,0,0,0,0|3,0,0]=4 19 B5R0.1 COC[C@H](C)O AM20100219 [1,0,0,0,0,0|2,1,0]=4 20 B5R0.1 C[C@@H](O)CCO AMY25740 [1,0,0,0,0,0|0,1,2]=4 21 B5R0.1 C[C@H](N)CCO AM84886 [1,0,0,0,0,0|1,0,2]=4 22 B5R0.1 C[C@H](N)CCO AM9719 [1,0,0,0,0,0|1,0,2]=4 23 B5R0.1 C[C@H](N)CCO AMY409 [1,0,0,0,0,0|1,0,2]=4 24 B5R0.1 C[C@H](O)CNN AM803409 [1,0,0,0,0,0|2,1,0]=4 25 B5R0.2 C#CCCCC AMY1242 [1,0,0,0,0,0|2,0,1]=4 26 B5R0.2 C=CCCC=C AMY18716 [1,0,0,0,0,0|2,0,1]=4 27 B5R0.2 C=CCCC=C AMY19739 [1,0,0,0,0,0|2,0,1]=4 28 B5R0.2 C=CCCCBr AM20080066 [1,0,0,0,0,0|3,0,0]=4 29 B5R0.2 C=CCCCO AMY41353 [1,0,0,0,0,0|3,0,0]=4 30 B5R0.2 C=CCNC=O AMY24779 [1,0,0,0,0,0|2,0,1]=4 31 B5R0.2 CCCCCBr AMY9378 [1,0,0,0,0,0|2,0,1]=4 32 B5R0.2 CCCCCC AMY22305 [1,0,0,0,0,0|2,0,1]=4 33 B5R0.2 CCCCCN AMY21878 [1,0,0,0,0,0|2,0,1]=4 34 B5R0.2 CCCCCS AMY19243 [1,0,0,0,0,0|1,1,1]=4 35 B5R0.2 CCCCNN AMY202003284 [1,0,0,0,0,0|3,0,0]=4 36 B5R0.2 CNCCCN AM20100546 [1,0,0,0,0,0|2,0,1]=4 37 B5R0.2 CNCCNC AM86300 [1,0,0,0,0,0|3,0,0]=4 38 B5R0.2 COCCC#N AMY40960 [1,0,0,0,0,0|1,1,1]=4 39 B5R0.2 COCCCBr AM20090592 [1,0,0,0,0,0|1,1,1]=4 40 B5R0.2 COCCCCl AMY25654 [1,0,0,0,0,0|1,1,1]=4 41 B5R0.2 COCCCN AMY21871 [1,0,0,0,0,0|1,1,1]=4 42 B5R0.2 COCCCN AMY38449 [1,0,0,0,0,0|1,1,1]=4 43 B5R0.2 COCCCO AM20080231 [1,0,0,0,0,0|0,1,2]=4 44 B5R0.2 COCCNN AM803665 [1,0,0,0,0,0|2,1,0]=4 45 B5R0.2 COCCNN AMY202003278 [1,0,0,0,0,0|2,1,0]=4 46 B5R0.2 COCCOC AMY25530 [1,0,0,0,0,0|2,1,0]=4 47 B5R0.2 COCCON AMY27642 [1,0,0,0,0,0|2,1,0]=4 48 B5R0.2 CSCCCCl AMY744 [1,0,0,0,0,0|1,0,1]=3 49 B5R0.2 N#CCCC=O AMY9205 [1,0,0,0,0,0|2,0,0]=3 50 B5R0.2 O=CCCC=O AMY18777 [1,0,0,0,0,0|2,0,0]=3 51 B5R0.3 C=C[C@@H](O)CC AMY851 [1,0,0,0,0,0|2,0,1]=4 52 B5R0.3 CC(CBr)CBr AMY21213 [1,0,0,0,0,0|3,0,0]=4 53 B5R0.3 CC(CI)CI AMY32062 [1,0,0,0,0,0|3,0,0]=4 54 B5R0.3 CCC(N)CC AMY4054 [1,0,0,0,0,0|2,0,1]=4 55 B5R0.3 CCN(C)CC AMY13336 [1,0,0,0,0,0|2,0,1]=4 56 B5R0.3 CC[C@@H](N)CO AM85835 [1,0,0,0,0,0|2,0,1]=4 57 B5R0.3 CC[C@@H](O)CN AMY6653 [1,0,0,0,0,0|3,0,0]=4 58 B5R0.3 CC[C@@H](O)CO AMY40578 [1,0,0,0,0,0|2,0,1]=4 59 B5R0.3 CC[C@H](Br)CBr AMY31902 [1,0,0,0,0,0|3,0,0]=4 60 B5R0.3 CC[C@H](C)CBr AMY28688 [1,0,0,0,0,0|2,0,0]=3 61 B5R0.3 CC[C@H](C)NN AM803011 [1,0,0,0,0,0|2,0,1]=4 62 B5R0.3 CC[C@H](C)NN AM9772 [1,0,0,0,0,0|2,0,1]=4 63 B5R0.3 CC[C@H](N)CO AM85834 [1,0,0,0,0,0|2,0,1]=4 64 B5R0.3 CC[C@H](N)CO AM85988 [1,0,0,0,0,0|2,0,1]=4 65 B5R0.3 CC[C@H](O)CO AMY40584 [1,0,0,0,0,0|2,0,1]=4 66 B5R0.3 CN(C=O)C=O AMY39203 [1,0,0,0,0,0|3,0,0]=4 67 B5R0.3 COC(=O)C=O AMY1633 [1,0,0,0,0,0|1,1,1]=4 68 B5R0.3 CO[C@@H](C)CN AMY21775 [1,0,0,0,0,0|1,1,0]=3 69 B5R0.3 C[C@@H](CO)CBr AMY14347 [1,0,0,0,0,0|2,0,1]=4 70 B5R0.3 O=CC(Br)C=O AM20090162 [1,0,0,0,0,0|3,0,0]=4 71 B7R0.2 CCC(=O)CC(=O)O AM85448 [0,1,0,0,0,0|2,0,1]=4 72 B7R0.2 CCC(=O)CC(=O)[O-] AM88443 [0,1,0,0,0,0|2,0,1]=4 73 B7R0.2 CCC(=O)CC(C)=O AMY2701 [0,1,0,0,0,0|2,0,1]=4 74 B7R0.2 CCC(C)CC(C)N AMY12579 [0,1,0,0,0,0|2,0,1]=4 75 B7R0.2 CC[C@H](C)NC(N)=O AMY7838 [0,1,0,0,0,0|2,0,0]=3 76 B7R0.2 CC[C@H](O)CC(=O)O AM85451 [0,1,0,0,0,0|2,0,0]=3 77 B7R0.2 COC(=O)CC(=O)Cl AM90205 [0,1,0,0,0,0|1,1,1]=4 78 B7R0.2 COC(=O)CC(=O)[O-] AMY3708 [0,1,0,0,0,0|1,1,1]=4 79 B7R0.2 COC(=O)CC(=O)[O-] AMY3965 [0,1,0,0,0,0|1,1,1]=4 80 B7R0.2 NC[C@@H](N)CC(=O)O AMY21992 [0,1,0,0,0,0|3,0,0]=4 81 B7R0.2 NC[C@H](N)CC(=O)O AMY21991 [0,1,0,0,0,0|3,0,0]=4 82 B7R0.2 N[C@H](CO)CC(=O)O AM20080465 [0,1,0,0,0,0|3,0,0]=4 83 B7R0.3 COC(=O)CCC=O AM20080287 [0,1,0,0,0,0|1,1,1]=4 84 B7R0.5 C=CC[C@H](C)C(=O)O AMY3846 [0,1,0,0,0,0|3,0,0]=4 85 B7R0.7 CCOC(=O)CC=O AMY18659 [0,1,0,0,0,0|1,1,1]=4 86 B7R0.10 CC[C@@H](C)[C@@H](N)CO AM20090276 [0,1,0,0,0,0|1,0,2]=4 87 B7R0.11 C=CCC(C)(C)C=O AM20080935 [0,1,0,0,0,0|3,0,0]=4 88 B7R0.11 COC(C)(C)CCN AMY21326 [0,1,0,0,0,0|1,1,1]=4 89 B7R0.12 CNCC(OC)OC AMY41272 [0,1,0,0,0,0|2,1,0]=4 90 B7R0.12 COC(CCBr)OC AMY19911 [0,1,0,0,0,0|1,1,1]=4 91 B7R0.12 COC(CCO)OC AMY38618 [0,1,0,0,0,0|0,1,2]=4 92 B7R0.12 COCC(OC)OC AM20080585 [0,1,0,0,0,0|2,1,0]=4 93 B7R1.1 CC[C@@H]1CCNC1 AMY34410 [0,0,0,1,0,0|2,0,1]=4 94 B7R1.1 CC[C@H]1CCNC1 AMY34423 [0,0,0,1,0,0|2,0,1]=4 95 B7R1.1 CNC1CCCC1 AMY10584 [0,0,0,1,0,0|2,0,1]=4 96 B7R1.1 CN[C@@H]1CCOC1 AMY37512 [0,0,0,1,0,0|1,0,2]=4 97 B7R1.1 CN[C@H]1CCNC1 AM101327 [0,0,0,1,0,0|2,0,1]=4 98 B7R1.1 CN[C@H]1CCNC1 AM97548 [0,0,0,1,0,0|2,0,1]=4 99 B7R1.1 CN[C@H]1CCNC1 AM97549 [0,0,0,1,0,0|2,0,1]=4 100 B7R1.1 CN[C@H]1CCOC1 AM20120293 [0,0,0,1,0,0|1,0,2]=4 101 B7R1.1 CN[C@H]1CCOC1 AMY34214 [0,0,0,1,0,0|1,0,2]=4 102 B7R1.1 CN[C@H]1CCOC1 AMY37563 [0,0,0,1,0,0|1,0,2]=4 103 B7R1.1 CO[C@H]1CCNC1 AM100854 [0,0,0,1,0,0|1,1,1]=4 104 B7R1.1 CO[C@H]1CCNC1 AM20100541 [0,0,0,1,0,0|1,1,1]=4 105 B7R1.1 CO[C@H]1CCNC1 AM91096 [0,0,0,1,0,0|1,1,1]=4 106 B7R1.1 CO[C@H]1CCNC1 AM91097 [0,0,0,1,0,0|1,1,1]=4 107 B7R1.1 CO[C@H]1CCNC1 AM97517 [0,0,0,1,0,0|1,1,1]=4 108 B7R1.1 OCC1CC=CC1 AM20090293 [0,0,0,1,0,0|3,0,0]=4 109 B7R1.2 CN1CCC(=O)C1 AM20100632 [0,0,0,1,0,0|2,0,0]=3 110 B7R1.2 CN1CCC(=O)C1 AMY25051 [0,0,0,1,0,0|2,0,0]=3 111 B7R1.2 C[C@@H]1CCC(=O)N1 AMY37338 [0,0,0,1,0,0|2,0,0]=3 112 B7R1.2 C[C@@H]1CNC(=O)C1 AMY34987 [0,0,0,1,0,0|2,0,0]=3 113 B7R1.2 C[C@@H]1C[C@H](O)CN1 AMY19216 [0,0,0,1,0,0|1,0,2]=4 114 B7R1.2 C[C@H]1CCC(=O)C1 AMY3874 [0,0,0,1,0,0|1,0,0]=2 115 B7R1.2 C[C@H]1CCC(=O)N1 AMY23794 [0,0,0,1,0,0|2,0,0]=3 116 B7R1.2 C[C@H]1CNC(=O)C1 AMY35747 [0,0,0,1,0,0|2,0,0]=3 117 B7R1.2 C[C@H]1CNC(=O)O1 AMY3772 [0,0,0,1,0,0|3,0,0]=4 118 B7R1.2 C[C@H]1C[C@@H](N)CN1 AMY19213 [0,0,0,1,0,0|2,0,1]=4 119 B7R1.2 C[C@H]1C[C@@H](O)CN1 AMY19265 [0,0,0,1,0,0|1,0,2]=4 120 B7R1.2 C[C@H]1C[C@H](N)CN1 AMY19217 [0,0,0,1,0,0|2,0,1]=4 121 B7R1.2 C[C@H]1C[C@H](O)CN1 AMY19218 [0,0,0,1,0,0|1,0,2]=4 122 B7R1.2 NC1=NC(=O)CS1 AMY31386 [0,0,0,1,0,0|2,0,1]=4 123 B7R1.2 N[C@@H]1CNC(=O)C1 AMY34929 [0,0,0,1,0,0|3,0,0]=4 124 B7R1.2 N[C@@H]1COC(=O)C1 AMY22231 [0,0,0,1,0,0|3,0,0]=4 125 B7R1.2 N[C@H]1COC(=O)C1 AMY18836 [0,0,0,1,0,0|3,0,0]=4 126 B7R1.2 O=C1C=C[C@@H](O)C1 AMY1807 [0,0,0,1,0,0|2,0,1]=4 127 B7R1.2 O=C1CCC(=O)C1 AM20100026 [0,0,0,1,0,0|2,0,1]=4 128 B7R1.2 O=C1CC[C@H](O)C1 AMY33737 [0,0,0,1,0,0|2,0,0]=3 129 B7R1.2 O=C1CNC(=O)C1 AM20120511 [0,0,0,1,0,0|2,0,1]=4 130 B7R1.2 O=C1CSC(=O)N1 AM20090236 [0,0,0,1,0,0|2,0,1]=4 131 B7R1.2 O=C1CSC(=S)N1 AMY21863 [0,0,0,1,0,0|2,0,1]=4 132 B7R1.2 O=C1C[C@H](O)CN1 AM20090229 [0,0,0,1,0,0|3,0,0]=4 133 B7R1.2 O=C1C[C@H](O)CN1 AM20100631 [0,0,0,1,0,0|3,0,0]=4 134 B7R1.2 O=C1C[C@H](O)CN1 AMY22949 [0,0,0,1,0,0|3,0,0]=4 135 B7R1.2 O=C1C[C@H](O)CO1 AMY4221 [0,0,0,1,0,0|3,0,0]=4 136 B7R1.3 CC1CCNCC1 AMY23280 [0,0,0,1,0,0|2,0,1]=4 137 B7R1.3 CC1CCOCC1 AMY6168 [0,0,0,1,0,0|1,0,2]=4 138 B7R1.3 CC1SCCCS1 AMY24701 [0,0,0,1,0,0|2,0,1]=4 139 B7R1.3 C[C@@H]1CNCCO1 AMY11004 [0,0,0,1,0,0|2,1,0]=4 140 B7R1.3 C[C@@H]1COCCN1 AMY21764 [0,0,0,1,0,0|3,0,0]=4 141 B7R1.3 C[C@H]1C=CCCO1 AMY6012 [0,0,0,1,0,0|1,1,1]=4 142 B7R1.3 C[C@H]1CCCCN1 AM20080042 [0,0,0,1,0,0|2,0,1]=4 143 B7R1.3 C[C@H]1CCCCN1 AM81342 [0,0,0,1,0,0|2,0,1]=4 144 B7R1.3 C[C@H]1CCCNC1 AM86032 [0,0,0,1,0,0|3,0,0]=4 145 B7R1.3 C[C@H]1CCCNC1 AM86033 [0,0,0,1,0,0|3,0,0]=4 146 B7R1.3 C[C@H]1CCCNC1 AMY5569 [0,0,0,1,0,0|3,0,0]=4 147 B7R1.3 C[C@H]1CNCCN1 AM20080043 [0,0,0,1,0,0|3,0,0]=4 148 B7R1.3 C[C@H]1CNCCN1 AM81347 [0,0,0,1,0,0|3,0,0]=4 149 B7R1.3 C[C@H]1CNCCN1 AM81348 [0,0,0,1,0,0|3,0,0]=4 150 B7R1.3 C[C@H]1CNCCO1 AM20090347 [0,0,0,1,0,0|2,1,0]=4 151 B7R1.3 C[C@H]1CNCCO1 AM85055 [0,0,0,1,0,0|2,1,0]=4 152 B7R1.3 C[C@H]1CNCCO1 AMY21629 [0,0,0,1,0,0|2,1,0]=4 153 B7R1.3 C[C@H]1CNCCO1 AMY9349 [0,0,0,1,0,0|2,1,0]=4 154 B7R1.3 C[C@H]1COCCN1 AM20100118 [0,0,0,1,0,0|3,0,0]=4 155 B7R1.3 C[C@H]1COCCN1 AM803755 [0,0,0,1,0,0|3,0,0]=4 156 B7R1.3 C[C@H]1COCCN1 AM804311 [0,0,0,1,0,0|3,0,0]=4 157 B7R1.3 C[C@H]1COCCN1 AM806455 [0,0,0,1,0,0|3,0,0]=4 158 B7R1.3 C[C@H]1COCCN1 AMY22799 [0,0,0,1,0,0|3,0,0]=4 159 B7R1.3 Cl[C@@H]1CC=CCC1 AMY13656 [0,0,0,1,0,0|3,0,0]=4 160 B7R1.6 NCCC1CCC1 AMY34747 [0,0,0,1,0,0|2,0,1]=4 161 B7R1.6 OCCC1CCC1 AM807009 [0,0,0,1,0,0|1,0,2]=4 162 B7R1.10 C=C1CC(C#N)C1 AM20070632 [0,0,0,1,0,0|3,0,0]=4 163 B7R1.10 C=C1CC(C=O)C1 AM84292 [0,0,0,1,0,0|3,0,0]=4 164 B7R1.10 C=C1CC(CBr)C1 AM84291 [0,0,0,1,0,0|3,0,0]=4 165 B7R1.10 C=C1CC(CN)C1 AM84290 [0,0,0,1,0,0|3,0,0]=4 166 B7R1.10 C=C1CC(CO)C1 AM84289 [0,0,0,1,0,0|3,0,0]=4 167 B7R1.10 CNC1CC(O)C1 AMY33649 [0,0,0,1,0,0|1,0,2]=4 168 B7R1.10 CNC1CN(C)C1 AM20090464 [0,0,0,1,0,0|3,0,0]=4 169 B7R1.10 COC1CC(N)C1 AM807010 [0,0,0,1,0,0|1,1,1]=4 170 B7R1.10 COC1CC(O)C1 AMY41129 [0,0,0,1,0,0|0,1,2]=4 171 B7R1.10 CO[C@H]1C[C@H](N)C1 AMY19617 [0,0,0,1,0,0|1,1,1]=4 172 B7R1.10 N#CC1CC(=O)C1 AM20070603 [0,0,0,1,0,0|2,0,0]=3 173 B7R1.10 O=C1CC(CBr)C1 AM85778 [0,0,0,1,0,0|2,0,0]=3 174 B7R1.10 O=C1CC(CF)C1 AM84266 [0,0,0,1,0,0|2,0,0]=3 175 B7R1.10 O=C1CC(CO)C1 AM20070600 [0,0,0,1,0,0|2,0,0]=3 176 B7R1.25 COC1(C)CNC1 AM20110261 [0,0,0,1,0,0|2,1,0]=4 177 B4R0.1 C=C(C)C=O AMY28760 [2,0,0,0,0,0|0,0,2]=4 178 B4R0.1 C=C=C(C)C AMY42296 [2,0,0,0,0,0|0,0,2]=4 179 B4R0.1 C=C[C@H](C)Cl AMY617 [2,0,0,0,0,0|1,0,1]=4 180 B4R0.1 C=C[C@H](C)O AMY1257 [2,0,0,0,0,0|0,1,1]=4 181 B4R0.1 CC(C)=CBr AM85707 [2,0,0,0,0,0|1,0,1]=4 182 B4R0.1 CC(C)CBr AMY25783 [2,0,0,0,0,0|1,0,0]=3 183 B4R0.1 CC(C)NN AM20090002 [2,0,0,0,0,0|2,0,0]=4 184 B4R0.1 CC(C)NN AMY202003297 [2,0,0,0,0,0|2,0,0]=4 185 B4R0.1 CC(C)ON AM90376 [2,0,0,0,0,0|1,1,0]=4 186 B4R0.1 CCC(C)[O-] AMY22246 [2,0,0,0,0,0|0,1,1]=4 187 B4R0.1 CCN(C)C AMY13339 [2,0,0,0,0,0|1,0,1]=4 188 B4R0.1 CC[C@H](C)O AMY11001 [2,0,0,0,0,0|0,1,1]=4 189 B4R0.1 CN(C)C=S AMY40664 [2,0,0,0,0,0|1,1,0]=4 190 B4R0.1 CN(C)CCl AMY39211 [2,0,0,0,0,0|2,0,0]=4 191 B4R0.1 CNC(C)=O AMY4115 [2,0,0,0,0,0|1,0,1]=4 192 B4R0.1 CNC(C)C AMY13353 [2,0,0,0,0,0|1,0,0]=3 193 B4R0.1 C[C@@H](Cl)CO AMY21413 [2,0,0,0,0,0|1,0,1]=4 194 B4R0.1 C[C@@H](N)CN AMY3648 [2,0,0,0,0,0|2,0,0]=4 195 B4R0.1 C[C@H](Cl)CO AMY21357 [2,0,0,0,0,0|1,0,1]=4 196 B4R0.1 C[C@H](N)CN AMY3672 [2,0,0,0,0,0|2,0,0]=4 197 B4R0.1 C[C@H](N)CO AM20090557 [2,0,0,0,0,0|1,0,1]=4 198 B4R0.1 C[C@H](N)CO AM20100507 [2,0,0,0,0,0|1,0,1]=4 199 B4R0.1 C[C@H](O)CN AM20090353 [2,0,0,0,0,0|1,1,0]=4 200 B4R0.1 C[C@H](O)CN AM20100779 [2,0,0,0,0,0|1,1,0]=4 201 B4R0.1 C[C@H](O)CN AM81450 [2,0,0,0,0,0|1,1,0]=4 202 B4R0.1 [Li]CC(C)C AMY14929 [2,0,0,0,0,0|1,0,0]=3 203 B4R0.1 [Li][C@@H](C)CC AMY14890 [2,0,0,0,0,0|1,0,1]=4 204 B4R0.2 C=CCCCl AMY11185 [2,0,0,0,0,0|2,0,0]=4 205 B4R0.2 C=CCCO AMY14291 [2,0,0,0,0,0|1,1,0]=4 206 B4R0.2 C=CCNC AMY13350 [2,0,0,0,0,0|1,0,1]=4 207 B4R0.2 C=CCOC AM20100534 [2,0,0,0,0,0|0,1,1]=4 208 B4R0.2 CCCCN AMY21914 [2,0,0,0,0,0|1,0,1]=4 209 B4R0.2 CCCNN AM9771 [2,0,0,0,0,0|2,0,0]=4 210 B4R0.2 CC\C=C\Br AMY796 [2,0,0,0,0,0|1,0,1]=4 211 B4R0.2 CNCCCl AM803928 [2,0,0,0,0,0|2,0,0]=4 212 B4R0.2 CNCCF AMY202003232 [2,0,0,0,0,0|2,0,0]=4 213 B4R0.2 CNCCO AMY32697 [2,0,0,0,0,0|1,0,1]=4 214 B4R0.2 COCCCl AMY25739 [2,0,0,0,0,0|1,1,0]=4 215 B4R0.2 COCCN AM808206 [2,0,0,0,0,0|1,1,0]=4 216 B4R0.2 CSCCCl AMY15533 [2,0,0,0,0,0|1,0,0]=3 217 B4R0.2 CSCCN AMY33509 [2,0,0,0,0,0|1,0,0]=3 218 B4R0.2 CSCCO AMY19250 [2,0,0,0,0,0|0,0,1]=3 219 B4R0.2 SCCCBr AM806637 [2,0,0,0,0,0|1,0,1]=4 220 B4R0.2 [Li]CCCC AMY14790 [2,0,0,0,0,0|1,0,1]=4 221 B6R0.2 CC(=O)C=C(C)C AMY23356 [1,1,0,0,0,0|0,0,2]=4 222 B6R0.2 CC(=O)CC(C)C AMY11098 [1,1,0,0,0,0|0,0,0]=2 223 B6R0.2 CC(=O)NC(C)C AMY3785 [1,1,0,0,0,0|1,0,0]=3 224 B6R0.2 CC(C)CB(O)O AM80872 [1,1,0,0,0,0|1,0,1]=4 225 B6R0.2 CC(C)CC(=O)O AMY40214 [1,1,0,0,0,0|0,0,0]=2 226 B6R0.2 CC(C)C[C@H](C)N AMY36830 [1,1,0,0,0,0|1,0,1]=4 227 B6R0.2 CC(C)OC(=O)Cl AMY3776 [1,1,0,0,0,0|1,0,0]=3 228 B6R0.2 CC(O)CC(=O)[O-] AMY10051 [1,1,0,0,0,0|0,1,0]=3 229 B6R0.2 CC(O)CC(=O)[O-] AMY10054 [1,1,0,0,0,0|0,1,0]=3 230 B6R0.2 CN(C)CC(=O)O AM20080064 [1,1,0,0,0,0|1,0,0]=3 231 B6R0.2 CN(C)CC(=O)O AM81799 [1,1,0,0,0,0|1,0,0]=3 232 B6R0.2 CN(C)CC(=O)[O-] AMY42162 [1,1,0,0,0,0|1,0,0]=3 233 B6R0.2 CN(C)CC(=O)[O-] AMY42163 [1,1,0,0,0,0|1,0,0]=3 234 B6R0.2 C[C@@H](O)CC(=O)O AMY24176 [1,1,0,0,0,0|0,1,0]=3 235 B6R0.2 C[C@H](N)CC(=O)O AM20100008 [1,1,0,0,0,0|1,0,0]=3 236 B6R0.2 C[C@H](N)CC(=O)O AM20100009 [1,1,0,0,0,0|1,0,0]=3 237 B6R0.2 C[C@H](N)CC(=O)O AM20100428 [1,1,0,0,0,0|1,0,0]=3 238 B6R0.2 C[C@H](N)CC(=O)O AM804090 [1,1,0,0,0,0|1,0,0]=3 239 B6R0.2 C[C@H](O)CC(=O)O AMY10050 [1,1,0,0,0,0|0,1,0]=3 240 B6R0.2 C[C@H](O)CC(=O)O AMY24175 [1,1,0,0,0,0|0,1,0]=3 241 B6R0.2 C[C@H](O)CC(=O)[O-] AM86469 [1,1,0,0,0,0|0,1,0]=3 242 B6R0.2 C[C@H](O)CC(=O)[O-] AMY10052 [1,1,0,0,0,0|0,1,0]=3 243 B6R0.2 C[C@H](O)CC(=O)[O-] AMY10055 [1,1,0,0,0,0|0,1,0]=3 244 B6R0.2 C[S+](C)CC(=O)[O-] AM90363 [1,1,0,0,0,0|1,0,0]=3 245 B6R0.2 O=C(O)CC(F)F AMY6157 [1,1,0,0,0,0|2,0,0]=4 246 B6R0.3 CC(=O)[C@@H](C)C=O AMY6397 [1,1,0,0,0,0|0,1,1]=4 247 B6R0.3 CC(C)[C@@H](C)CO AMY19225 [1,1,0,0,0,0|0,0,2]=4 248 B6R0.3 CC(C)[C@@H](N)CO AM20080457 [1,1,0,0,0,0|0,0,2]=4 249 B6R0.3 CC(C)[C@@H](N)CO AM20090150 [1,1,0,0,0,0|0,0,2]=4 250 B6R0.3 CC(C)[C@@H](N)CO AM20100129 [1,1,0,0,0,0|0,0,2]=4 251 B6R0.3 CC(C)[C@H](N)C#N AMY32625 [1,1,0,0,0,0|1,0,1]=4 252 B6R0.3 CN[C@@H](C)C(C)C AMY37353 [1,1,0,0,0,0|2,0,0]=4 253 B6R0.4 CC(C)CCCO AMY39142 [1,1,0,0,0,0|0,0,2]=4 254 B6R0.4 CC(C)CON=O AMY4012 [1,1,0,0,0,0|1,0,0]=3 255 B6R0.4 CC(C)NCCCl AMY31121 [1,1,0,0,0,0|1,0,1]=4 256 B6R0.4 CC(C)OCCBr AM80879 [1,1,0,0,0,0|1,0,1]=4 257 B6R0.4 CN(C)\C=C\C=O AM20120332 [1,1,0,0,0,0|1,0,1]=4 258 B6R0.4 CNCCC(C)C AMY37348 [1,1,0,0,0,0|1,0,1]=4 259 B6R0.4 CNCCC(C)C AMY37370 [1,1,0,0,0,0|1,0,1]=4 260 B6R0.5 C#CCC(C)(C)O AM806691 [1,1,0,0,0,0|1,0,1]=4 261 B6R0.5 C=CC[Si](C)(C)C AMY7007 [1,1,0,0,0,0|1,1,0]=4 262 B6R0.5 C=CC[Si](C)(C)Cl AMY19831 [1,1,0,0,0,0|1,1,0]=4 263 B6R0.5 CC(C)(C)CC=O AM20090398 [1,1,0,0,0,0|0,0,0]=2 264 B6R0.5 CC(C)(C)CCO AM20100528 [1,1,0,0,0,0|0,0,2]=4 265 B6R0.5 CC(C)(C)ON=O AMY4009 [1,1,0,0,0,0|2,0,0]=4 266 B6R0.5 CC(C)(N)CCO AMY117 [1,1,0,0,0,0|0,0,2]=4 267 B6R0.5 CC(C)(O)CCN AMY42489 [1,1,0,0,0,0|1,0,1]=4 268 B6R0.5 CNCC(C)(C)O AM807013 [1,1,0,0,0,0|2,0,0]=4 269 B6R0.5 COCC(C)(C)O AMY9274 [1,1,0,0,0,0|2,0,0]=4 270 B6R0.6 C=CCCCCBr AM84859 [1,1,0,0,0,0|2,0,0]=4 271 B6R0.6 C=CCCCCO AM20100796 [1,1,0,0,0,0|2,0,0]=4 272 B6R0.6 CCCCON=O AMY4016 [1,1,0,0,0,0|2,0,0]=4 273 B6R0.6 O=CCCCC=O AMY3308 [1,1,0,0,0,0|1,0,1]=4 274 B6R0.6 O=CCCCCCl AMY772 [1,1,0,0,0,0|1,0,0]=3 275 B6R0.8 CCC(Br)(Br)C=O AMY2945 [1,1,0,0,0,0|2,0,0]=4 276 B6R0.8 CC[C@](C)(N)CN AMY40943 [1,1,0,0,0,0|2,0,0]=4 277 B6R0.8 CC[C@](C)(O)CN AMY24170 [1,1,0,0,0,0|2,0,0]=4 278 B6R0.8 CNC(C)(C)CO AM85695 [1,1,0,0,0,0|1,0,1]=4 279 B6R0.8 COC(C)(C)CBr AM806263 [1,1,0,0,0,0|1,1,0]=4 280 B6R0.8 COC(C)(C)CN AMY36536 [1,1,0,0,0,0|1,1,0]=4 281 B6R0.8 COC(C)(C)CO AM90075 [1,1,0,0,0,0|0,1,1]=4 282 B6R0.9 C=C[C@@H](CC)CO AMY36984 [1,1,0,0,0,0|1,0,1]=4 283 B6R0.9 CCC(CO)CO AM10034 [1,1,0,0,0,0|1,0,1]=4 284 B6R0.9 COC(CCl)OC AMY3314 [1,1,0,0,0,0|1,1,0]=4 285 B8R0.2 CCC(C)C(Br)C(=O)O AMY25125 [0,2,0,0,0,0|1,0,0]=3 286 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O AM81860 [0,2,0,0,0,0|1,0,0]=3 287 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O AM81861 [0,2,0,0,0,0|1,0,0]=3 288 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O AM81840 [0,2,0,0,0,0|1,0,0]=3 289 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O AM81842 [0,2,0,0,0,0|1,0,0]=3 290 B8R0.2 CO[C@H](C)[C@H](N)C(=O)O AM82265 [0,2,0,0,0,0|0,1,0]=3 291 B8R0.2 C[C@H](O)[C@H](O)[C@H](O)C=O AMY18687 [0,2,0,0,0,0|2,0,0]=4 292 B8R0.19 CC[C@H](O)CC(=O)OC AM85819 [0,2,0,0,0,0|2,0,0]=4 293 B8R0.23 CC(=O)N[C@@H](C)C(C)=O AMY4869 [0,2,0,0,0,0|2,0,0]=4 294 B8R0.23 CC(=O)O[C@@H](C)C(C)=O AM20080686 [0,2,0,0,0,0|2,0,0]=4 295 B8R0.23 CC(C)[C@@H](N)CC(=O)O AMY30425 [0,2,0,0,0,0|2,0,0]=4 296 B8R0.23 CC(C)[C@H](N)CC(=O)O AMY14234 [0,2,0,0,0,0|2,0,0]=4 297 B8R0.23 CC(C)[C@H](N)CC(=O)O AMY30426 [0,2,0,0,0,0|2,0,0]=4 298 B8R0.24 CC[C@H](C)CS(=O)(=O)[O-] AMY3853 [0,2,0,0,0,0|2,0,0]=4 299 B8R0.3 O=CC[C@@H](O)[C@@H](O)CO AM20100306 [0,2,0,0,0,0|2,0,0]=4 300 B8R0.3 O=CC[C@@H](O)[C@@H](O)CO AM83958 [0,2,0,0,0,0|2,0,0]=4 301 B8R0.22 CCC[C@@H](CC=O)SC AMY39512 [0,2,0,0,0,0|0,0,0]=2 302 B6R1.2 CC1CCCC1 AMY21930 [1,0,0,1,0,0|1,0,1]=4 303 B6R1.2 C[C@@H]1CCNC1 AMY37511 [1,0,0,1,0,0|1,0,1]=4 304 B6R1.2 C[C@H]1CCNC1 AM803039 [1,0,0,1,0,0|1,0,1]=4 305 B6R1.2 C[C@H]1CCNC1 AM803735 [1,0,0,1,0,0|1,0,1]=4 306 B6R1.2 C[C@H]1CCNC1 AMY37562 [1,0,0,1,0,0|1,0,1]=4 307 B6R1.2 NC1CC=CC1 AM20120323 [1,0,0,1,0,0|2,0,0]=4 308 B6R1.2 OC1CC=CC1 AMY9178 [1,0,0,1,0,0|1,1,0]=4 309 B6R1.2 S[C@H]1CCOC1 AM101772 [1,0,0,1,0,0|0,0,2]=4 310 B6R1.3 BrCCC1CC1 AMY202003230 [1,0,0,1,0,0|1,0,1]=4 311 B6R1.3 CNCC1CC1 AM803431 [1,0,0,1,0,0|2,0,0]=4 312 B6R1.3 CNCC1CC1 AMY34463 [1,0,0,1,0,0|2,0,0]=4 313 B6R1.3 ICCC1CC1 AMY34362 [1,0,0,1,0,0|1,0,1]=4 314 B6R1.3 N#CCC1CC1 AM20100595 [1,0,0,1,0,0|1,0,1]=4 315 B6R1.3 NCCC1CC1 AMY39140 [1,0,0,1,0,0|1,0,1]=4 316 B6R1.3 NCCC1CC1 AMY4139 [1,0,0,1,0,0|1,0,1]=4 317 B6R1.3 NNCC1CC1 AM10018 [1,0,0,1,0,0|2,0,0]=4 318 B6R1.3 NNCC1CC1 AMY16104 [1,0,0,1,0,0|2,0,0]=4 319 B6R1.3 NOCC1CC1 AM90383 [1,0,0,1,0,0|2,0,0]=4 320 B6R1.3 O=CNC1CC1 AM804092 [1,0,0,1,0,0|1,0,0]=3 321 B6R1.3 OCCC1CC1 AMY3915 [1,0,0,1,0,0|0,0,2]=4 322 B6R1.5 C=C1CC(N)C1 AM84287 [1,0,0,1,0,0|2,0,0]=4 323 B6R1.5 C=C1CC(N)C1 AM84288 [1,0,0,1,0,0|2,0,0]=4 324 B6R1.5 CC1CC(=O)C1 AM806996 [1,0,0,1,0,0|0,0,0]=2 325 B6R1.5 NC1CC(=O)C1 AM20070559 [1,0,0,1,0,0|1,0,0]=3 326 B6R1.5 O=C1CC(O)C1 AMY33736 [1,0,0,1,0,0|0,1,0]=3 327 B6R1.8 CC1CC1CN AM806562 [1,0,0,1,0,0|1,0,1]=4 328 B6R1.8 CC1CC1CO AM804126 [1,0,0,1,0,0|0,0,2]=4 329 B6R1.10 CC1(C)CNC1 AMY14184 [1,0,0,1,0,0|2,0,0]=4 330 B6R1.10 CC1(C)COC1 AM20020043 [1,0,0,1,0,0|2,0,0]=4 331 B6R1.1 C1=CCCCC1 AMY17792 [1,0,0,1,0,0|2,0,0]=4 332 B6R1.1 C1=CCNCC1 AMY5955 [1,0,0,1,0,0|2,0,0]=4 333 B6R1.1 C1=CCOCC1 AM9907 [1,0,0,1,0,0|1,1,0]=4 334 B6R1.1 C1=CCSCC1 AMY37369 [1,0,0,1,0,0|1,0,0]=3 335 B6R1.1 C1CSCCN1 AM807014 [1,0,0,1,0,0|2,0,0]=4 336 B6R1.1 C1CSCCO1 AMY25585 [1,0,0,1,0,0|2,0,0]=4 337 B6R1.6 CSC1CNC1 AM20080315 [1,0,0,1,0,0|2,0,0]=4 338 B6R1.6 O=CC1CCC1 AM90197 [1,0,0,1,0,0|1,0,0]=3 339 B6R1.6 O=CC1COC1 AMY38489 [1,0,0,1,0,0|0,1,0]=3 340 B6R1.7 CC1(CN)CC1 AM806561 [1,0,0,1,0,0|2,0,0]=4 341 B6R1.7 CC1(CN)CC1 AMY19193 [1,0,0,1,0,0|2,0,0]=4 342 B6R1.7 CC1(CO)CC1 AM803621 [1,0,0,1,0,0|1,0,1]=4 343 B6R1.7 C[C@]1(CO)CO1 AM806634 [1,0,0,1,0,0|0,1,1]=4 344 B6R1.7 C[C@]1(CO)CO1 AM85933 [1,0,0,1,0,0|0,1,1]=4 345 B8R1.1 CC[C@H]1CNC(=O)O1 AM806527 [0,1,0,1,0,0|2,0,0]=4 346 B8R1.1 CN1CC[C@H](C=O)C1 AM92662 [0,1,0,1,0,0|2,0,0]=4 347 B8R1.1 NC[C@@H]1CCC(=O)N1 AMY21674 [0,1,0,1,0,0|2,0,0]=4 348 B8R1.1 NC[C@@H]1CNC(=O)C1 AMY34438 [0,1,0,1,0,0|2,0,0]=4 349 B8R1.1 NC[C@@H]1CNC(=O)C1 AMY4351 [0,1,0,1,0,0|2,0,0]=4 350 B8R1.1 NC[C@H]1CCC(=O)N1 AMY21633 [0,1,0,1,0,0|2,0,0]=4 351 B8R1.1 NC[C@H]1CNC(=O)C1 AMY34442 [0,1,0,1,0,0|2,0,0]=4 352 B8R1.1 O=C1CC[C@@H](CBr)N1 AMY25044 [0,1,0,1,0,0|2,0,0]=4 353 B8R1.1 O=C1CC[C@H](CO)N1 AM20090035 [0,1,0,1,0,0|2,0,0]=4 354 B8R1.1 O=C1CC[C@H](CO)N1 AM20100613 [0,1,0,1,0,0|2,0,0]=4 355 B8R1.1 O=C1CC[C@H](CO)O1 AM20090484 [0,1,0,1,0,0|2,0,0]=4 356 B8R1.1 O=C1C[C@H](CO)CO1 AM806516 [0,1,0,1,0,0|2,0,0]=4 357 B8R1.4 C=C1CCO[C@@H](C)C1 AMY6013 [0,1,0,1,0,0|1,1,0]=4 358 B8R1.4 CN1CCCC(=O)C1 AM20100357 [0,1,0,1,0,0|2,0,0]=4 359 B8R1.4 CN1CCNC(=O)C1 AMY22966 [0,1,0,1,0,0|2,0,0]=4 360 B8R1.4 C[C@H]1CC(=O)CCN1 AM20080278 [0,1,0,1,0,0|1,0,0]=3 361 B8R1.4 C[C@H]1CC(=O)CCN1 AMY13581 [0,1,0,1,0,0|1,0,0]=3 362 B8R1.4 C[C@H]1CC(=O)CCO1 AMY5961 [0,1,0,1,0,0|0,1,0]=3 363 B8R1.4 C[C@H]1CCCC(=O)N1 AMY16211 [0,1,0,1,0,0|2,0,0]=4 364 B8R1.4 C[C@H]1CNCC(=O)N1 AM804110 [0,1,0,1,0,0|2,0,0]=4 365 B8R1.4 N[C@H]1CCNC(=O)C1 AM20100356 [0,1,0,1,0,0|2,0,0]=4 366 B8R1.4 N[C@H]1CCNC(=O)C1 AMY34928 [0,1,0,1,0,0|2,0,0]=4 367 B8R1.4 O=C1C[C@@H](O)CCN1 AMY14353 [0,1,0,1,0,0|2,0,0]=4 368 B8R1.4 O=C1C[C@@H](O)CCN1 AMY9138 [0,1,0,1,0,0|2,0,0]=4 369 B8R1.4 O=C1C[C@H](O)CCN1 AMY41749 [0,1,0,1,0,0|2,0,0]=4 370 B8R1.18 CN1C[C@@H](N)CC1=O AMY34923 [0,1,0,1,0,0|2,0,0]=4 371 B8R1.18 C[C@H]1CC(=O)N(C)C1 AM86073 [0,1,0,1,0,0|1,0,0]=3 372 B8R1.31 CC1CCC1C(=O)O AM807028 [0,1,0,1,0,0|1,0,0]=3 373 B8R1.31 CC1NCC1C(=O)O AMY35766 [0,1,0,1,0,0|1,0,0]=3 374 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O AMY35641 [0,1,0,1,0,0|2,0,0]=4 375 B8R1.34 O=C(O)CC1CCC1 AM807029 [0,1,0,1,0,0|1,0,0]=3 376 B8R1.34 O=C(O)CC1CNC1 AMY33688 [0,1,0,1,0,0|2,0,0]=4 377 B8R1.34 O=C(O)CC1CNC1 AMY38757 [0,1,0,1,0,0|2,0,0]=4 378 B8R1.34 O=C(O)CC1COC1 AMY19671 [0,1,0,1,0,0|2,0,0]=4 379 B8R1.34 O=C(O)CN1CCC1 AMY21704 [0,1,0,1,0,0|2,0,0]=4 380 B8R1.43 N#C[C@@H]1C[C@H]1C(=O)O AMY12294 [0,1,0,1,0,0|2,0,0]=4 381 B8R1.51 CC1(C)C=CC(=O)C1 AMY17841 [0,1,0,1,0,0|1,0,1]=4 382 B8R1.51 CC1(C)CCC(=O)C1 AMY38476 [0,1,0,1,0,0|1,0,0]=3 383 B8R1.51 CC1(C)CCC(=O)N1 AM1043 [0,1,0,1,0,0|2,0,0]=4 384 B8R1.51 O=C1CCC(F)(F)C1 AMY6155 [0,1,0,1,0,0|2,0,0]=4 385 B8R1.62 CC1(C#N)CC(=O)C1 AMY34627 [0,1,0,1,0,0|2,0,0]=4 386 B8R1.2 CSC1CCNCC1 AM20090171 [0,1,0,1,0,0|1,0,1]=4 387 B8R1.3 CC1CCC(=O)CC1 AMY17977 [0,1,0,1,0,0|1,0,0]=3 388 B8R1.3 CN1CCC(=O)CC1 AM20080337 [0,1,0,1,0,0|2,0,0]=4 389 B8R1.3 C[C@@H]1C=CC(=O)CC1 AMY6166 [0,1,0,1,0,0|1,0,1]=4 390 B8R1.3 C[C@@H]1CNC(=O)CN1 AMY35752 [0,1,0,1,0,0|1,0,0]=3 391 B8R1.3 C[C@H]1CNC(=O)CN1 AMY35750 [0,1,0,1,0,0|1,0,0]=3 392 B8R1.3 NC1CCC(=O)CC1 AM101128 [0,1,0,1,0,0|2,0,0]=4 393 B8R1.3 NC1CCC(=O)CC1 AMY42375 [0,1,0,1,0,0|2,0,0]=4 394 B8R1.3 N[C@@H]1CCC(=O)NC1 AMY31957 [0,1,0,1,0,0|2,0,0]=4 395 B8R1.3 N[C@H]1CCC(=O)NC1 AMY24060 [0,1,0,1,0,0|2,0,0]=4 396 B8R1.3 O=C1CCC(F)CC1 AM20070506 [0,1,0,1,0,0|2,0,0]=4 397 B8R1.3 O=C1CCC(O)CC1 AMY17986 [0,1,0,1,0,0|2,0,0]=4 398 B8R1.3 O=C1CC[C@H](O)CN1 AM84823 [0,1,0,1,0,0|2,0,0]=4 399 B8R1.50 CC1=C(C)C(=O)OC1 AM20080413 [0,1,0,1,0,0|1,0,1]=4 400 B8R1.23 O=C1CC(C(=O)O)C1 AM20070608 [0,1,0,1,0,0|2,0,0]=4 401 B8R1.8 O=CCC1CCCC1 AMY18693 [0,1,0,1,0,0|1,0,0]=3 402 B8R1.11 CN1CCC[C@H]1C=O AM101350 [0,1,0,1,0,0|2,0,0]=4 403 B8R1.11 CN1CCC[C@H]1C=O AM92013 [0,1,0,1,0,0|2,0,0]=4