0 B6R0.2 CC(=O)C=C(C)C AMY23356 [0,0,0,0,0,0|2,0,1]=3 1 B6R0.2 CC(=O)CC(C)C AMY11098 [0,0,0,0,0,0|2,0,0]=2 2 B6R0.2 CC(=O)NC(C)C AMY3785 [0,0,0,0,0,0|3,0,0]=3 3 B6R0.2 CC(=O)\C=C(\C)N AMY24718 [0,0,0,0,0,0|3,0,1]=4 4 B6R0.2 CC(=O)\C=C(\C)[O-] AMY11696 [0,0,0,0,0,0|3,0,1]=4 5 B6R0.2 CC(=O)\C=C(\C)[O-] AMY19683 [0,0,0,0,0,0|3,0,1]=4 6 B6R0.2 CC(=O)\C=C(\C)[O-] AMY41912 [0,0,0,0,0,0|3,0,1]=4 7 B6R0.2 CC(C)CB(O)O AM80872 [0,0,0,0,0,0|3,0,1]=4 8 B6R0.2 CC(C)CC(=O)O AMY40214 [0,0,0,0,0,0|2,0,0]=2 9 B6R0.2 CC(C)C[C@H](C)N AMY36830 [0,0,0,0,0,0|2,0,1]=3 10 B6R0.2 CC(C)OC(=O)Cl AMY3776 [0,0,0,0,0,0|3,0,0]=3 11 B6R0.2 CC(O)CC(=O)[O-] AMY10051 [0,0,0,0,0,0|3,0,0]=3 12 B6R0.2 CC(O)CC(=O)[O-] AMY10054 [0,0,0,0,0,0|3,0,0]=3 13 B6R0.2 CN(C)CC(=O)O AM20080064 [0,0,0,0,0,0|1,0,0]=1 14 B6R0.2 CN(C)CC(=O)O AM81799 [0,0,0,0,0,0|1,0,0]=1 15 B6R0.2 CN(C)CC(=O)[O-] AMY42162 [0,0,0,0,0,0|1,0,0]=1 16 B6R0.2 CN(C)CC(=O)[O-] AMY42163 [0,0,0,0,0,0|1,0,0]=1 17 B6R0.2 C[C@@H](O)CC(=O)O AMY24176 [0,0,0,0,0,0|3,0,0]=3 18 B6R0.2 C[C@@H](O)CN(C)C AMY16641 [0,0,0,0,0,0|1,0,2]=3 19 B6R0.2 C[C@H](Cl)CN(C)C AM90213 [0,0,0,0,0,0|2,0,1]=3 20 B6R0.2 C[C@H](N)CC(=O)O AM20100008 [0,0,0,0,0,0|3,0,0]=3 21 B6R0.2 C[C@H](N)CC(=O)O AM20100009 [0,0,0,0,0,0|3,0,0]=3 22 B6R0.2 C[C@H](N)CC(=O)O AM20100428 [0,0,0,0,0,0|3,0,0]=3 23 B6R0.2 C[C@H](N)CC(=O)O AM804090 [0,0,0,0,0,0|3,0,0]=3 24 B6R0.2 C[C@H](O)CC(=O)O AMY10050 [0,0,0,0,0,0|3,0,0]=3 25 B6R0.2 C[C@H](O)CC(=O)O AMY24175 [0,0,0,0,0,0|3,0,0]=3 26 B6R0.2 C[C@H](O)CC(=O)[O-] AM86469 [0,0,0,0,0,0|3,0,0]=3 27 B6R0.2 C[C@H](O)CC(=O)[O-] AMY10052 [0,0,0,0,0,0|3,0,0]=3 28 B6R0.2 C[C@H](O)CC(=O)[O-] AMY10055 [0,0,0,0,0,0|3,0,0]=3 29 B6R0.2 C[C@H](O)CN(C)C AMY13331 [0,0,0,0,0,0|1,0,2]=3 30 B6R0.2 C[S+](C)CC(=O)[O-] AM90363 [0,0,0,0,0,0|2,0,0]=2 31 B6R0.2 N=C(N)CC(=N)N AMY31195 [0,0,0,0,0,0|4,0,0]=4 32 B6R0.2 N=C(N)CC(=N)N AMY31196 [0,0,0,0,0,0|4,0,0]=4 33 B6R0.2 NC(=O)C[N+](=O)[O-] AM86587 [0,0,0,0,0,0|2,0,1]=3 34 B6R0.2 O=C(Cl)CC(=O)Cl AM10012 [0,0,0,0,0,0|4,0,0]=4 35 B6R0.2 O=C(O)CC(=O)O AMY11201 [0,0,0,0,0,0|4,0,0]=4 36 B6R0.2 O=C(O)CC(F)F AMY6157 [0,0,0,0,0,0|4,0,0]=4 37 B5R0.1 C#CCC(=O)O AMY19285 [1,0,0,0,0,0|2,0,1]=4 38 B5R0.1 C=CCC(C)=O AMY31929 [1,0,0,0,0,0|2,0,1]=4 39 B5R0.1 C=CC[C@H](C)N AM9152 [1,0,0,0,0,0|3,0,0]=4 40 B5R0.1 C=CC[C@H](C)O AM804193 [1,0,0,0,0,0|3,0,0]=4 41 B5R0.1 CC#CC(=O)Cl AMY41204 [1,0,0,0,0,0|2,0,1]=4 42 B5R0.1 CC#CC(=O)O AM90222 [1,0,0,0,0,0|2,0,1]=4 43 B5R0.1 CC(=O)CC#N AM86800 [1,0,0,0,0,0|3,0,0]=4 44 B5R0.1 CC(=O)CC#N AMY7035 [1,0,0,0,0,0|3,0,0]=4 45 B5R0.1 CC(=O)CCO AMY31061 [1,0,0,0,0,0|3,0,0]=4 46 B5R0.1 CC(C)=CC=O AMY42093 [1,0,0,0,0,0|1,0,1]=3 47 B5R0.1 CC(C)CNN AM806328 [1,0,0,0,0,0|2,0,0]=3 48 B5R0.1 CC(C)CNN AM9787 [1,0,0,0,0,0|2,0,0]=3 49 B5R0.1 CC(C)CON AMY31434 [1,0,0,0,0,0|2,0,0]=3 50 B5R0.1 CCCC(=N)N AM802888 [1,0,0,0,0,0|2,0,0]=3 51 B5R0.1 CCCC(=N)N AMY2389 [1,0,0,0,0,0|2,0,0]=3 52 B5R0.1 CCCC(C)=O AMY25524 [1,0,0,0,0,0|2,0,0]=3 53 B5R0.1 CCC[C@H](C)N AMY12548 [1,0,0,0,0,0|2,0,1]=4 54 B5R0.1 CCNC(=N)N AMY1900 [1,0,0,0,0,0|3,0,0]=4 55 B5R0.1 CCNC(N)=S AMY18739 [1,0,0,0,0,0|2,1,0]=4 56 B5R0.1 CCOC(N)=O AM20100253 [1,0,0,0,0,0|2,0,0]=3 57 B5R0.1 CN(C)CCBr AM84884 [1,0,0,0,0,0|1,0,1]=3 58 B5R0.1 CN(C)CCCl AM20080022 [1,0,0,0,0,0|1,0,1]=3 59 B5R0.1 CN(C)CCCl AM20100171 [1,0,0,0,0,0|1,0,1]=3 60 B5R0.1 CN(C)CCN AM20080032 [1,0,0,0,0,0|0,0,1]=2 61 B5R0.1 CNCC(=O)O AM20080021 [1,0,0,0,0,0|1,0,0]=2 62 B5R0.1 CNCC(C)=O AM806508 [1,0,0,0,0,0|1,0,0]=2 63 B5R0.1 CNCC(N)=O AM82642 [1,0,0,0,0,0|0,0,0]=1 64 B5R0.1 COCC(=N)N AM20120573 [1,0,0,0,0,0|2,0,0]=3 65 B5R0.1 COCC(=O)Cl AMY40728 [1,0,0,0,0,0|2,0,0]=3 66 B5R0.1 COCC(=O)O AMY4059 [1,0,0,0,0,0|2,0,0]=3 67 B5R0.1 COC[C@@H](C)N AMY19545 [1,0,0,0,0,0|2,0,1]=4 68 B5R0.1 CSCC(N)=O AMY10906 [1,0,0,0,0,0|1,0,0]=2 69 B5R0.1 C[C@H](O)CNN AM803409 [1,0,0,0,0,0|3,0,0]=4 70 B5R0.1 C\C=C\C(=O)O AMY11255 [1,0,0,0,0,0|2,0,1]=4 71 B5R0.1 C\C=C\C(C)=O AMY31928 [1,0,0,0,0,0|2,0,1]=4 72 B5R0.1 N#CCC(N)=O AM20080019 [1,0,0,0,0,0|2,0,0]=3 73 B5R0.1 N#CNC(N)=O AMY397 [1,0,0,0,0,0|3,0,0]=4 74 B5R0.1 NCCC(=O)O AM20080020 [1,0,0,0,0,0|3,0,0]=4 75 B5R0.1 NCCC(=O)O AMY22128 [1,0,0,0,0,0|3,0,0]=4 76 B5R0.1 NCCC(N)=O AM20100576 [1,0,0,0,0,0|2,0,0]=3 77 B5R0.1 NCCC(N)=O AMY6958 [1,0,0,0,0,0|2,0,0]=3 78 B5R0.1 NNCC(=O)O AMY202100023 [1,0,0,0,0,0|2,0,0]=3 79 B5R0.1 NOCC(=O)O AMY19484 [1,0,0,0,0,0|3,0,0]=4 80 B5R0.1 O=C(Cl)CCBr AM90184 [1,0,0,0,0,0|3,0,0]=4 81 B5R0.1 O=C(O)CCBr AM20100434 [1,0,0,0,0,0|3,0,0]=4 82 B5R0.1 O=C(O)CCF AM803932 [1,0,0,0,0,0|3,0,0]=4 83 B5R0.1 O=C(O)CCO AM85796 [1,0,0,0,0,0|3,0,0]=4 84 B5R0.1 O=C(O)CCS AMY27767 [1,0,0,0,0,0|3,0,0]=4 85 B7R0.2 C#CC(=O)OC(C)C AMY7054 [0,1,0,0,0,0|3,0,0]=4 86 B7R0.2 C=CC(=O)C=C(C)C AM806643 [0,1,0,0,0,0|2,0,1]=4 87 B7R0.2 C=CC(=O)NC(C)C AM84785 [0,1,0,0,0,0|3,0,0]=4 88 B7R0.2 CC(C)C[C@H](N)C#N AMY32610 [0,1,0,0,0,0|2,0,1]=4 89 B7R0.2 CC(C)C[C@H](N)CO AM20100311 [0,1,0,0,0,0|1,0,2]=4 90 B7R0.2 CC(C)C[C@H](N)CO AM20100733 [0,1,0,0,0,0|1,0,2]=4 91 B7R0.2 CC(C)OC(=O)CN AM81795 [0,1,0,0,0,0|2,0,0]=3 92 B7R0.2 CC(C)OC(=O)CO AM20100526 [0,1,0,0,0,0|3,0,0]=4 93 B7R0.2 CCC(=O)CC(=O)O AM85448 [0,1,0,0,0,0|3,0,0]=4 94 B7R0.2 CCC(=O)CC(=O)[O-] AM88443 [0,1,0,0,0,0|3,0,0]=4 95 B7R0.2 CCC(=O)CC(C)=O AMY2701 [0,1,0,0,0,0|3,0,0]=4 96 B7R0.2 CCC(C)CC(C)N AMY12579 [0,1,0,0,0,0|2,0,1]=4 97 B7R0.2 CC[C@H](C)NC(N)=O AMY7838 [0,1,0,0,0,0|2,0,0]=3 98 B7R0.2 CC[C@H](O)CC(=O)O AM85451 [0,1,0,0,0,0|3,0,0]=4 99 B7R0.2 CN(C)CC(=O)NN AM20120575 [0,1,0,0,0,0|0,0,0]=1 100 B7R0.2 COC(=O)CC(=O)Cl AM90205 [0,1,0,0,0,0|3,0,0]=4 101 B7R0.2 COC(=O)CC(=O)[O-] AMY3708 [0,1,0,0,0,0|3,0,0]=4 102 B7R0.2 COC(=O)CC(=O)[O-] AMY3965 [0,1,0,0,0,0|3,0,0]=4 103 B7R0.2 COC(=O)C[C@H](C)O AM20090811 [0,1,0,0,0,0|3,0,0]=4 104 B7R0.2 COC(=O)C[C@H](C)O AM20100049 [0,1,0,0,0,0|3,0,0]=4 105 B7R0.2 COC(=O)C[C@H](C)O AMY3321 [0,1,0,0,0,0|3,0,0]=4 106 B7R0.2 C\C(C=O)=C/N(C)C AMY28718 [0,1,0,0,0,0|1,0,1]=3 107 B7R0.2 NC[C@@H](N)CC(=O)O AMY21992 [0,1,0,0,0,0|3,0,0]=4 108 B7R0.2 NC[C@H](N)CC(=O)O AMY21991 [0,1,0,0,0,0|3,0,0]=4 109 B7R0.2 N[C@H](CO)CC(=O)O AM20080465 [0,1,0,0,0,0|3,0,0]=4 110 B7R0.9 CC(=O)N[Si](C)(C)C AMY42260 [0,1,0,0,0,0|3,0,0]=4 111 B7R0.9 CC(=O)OC(C)(C)C AMY11033 [0,1,0,0,0,0|3,0,0]=4 112 B7R0.9 CC(C)(C)CC(=O)O AM20080023 [0,1,0,0,0,0|2,0,0]=3 113 B7R0.9 CC(C)(C)NC(N)=S AMY11605 [0,1,0,0,0,0|2,1,0]=4 114 B7R0.9 CC(C)(C)OC(N)=O AM20100123 [0,1,0,0,0,0|2,0,0]=3 115 B7R0.9 CC(C)(N)CC(=O)O AM20100529 [0,1,0,0,0,0|2,0,0]=3 116 B7R0.9 CC(C)(N)CC(=O)O AMY115 [0,1,0,0,0,0|2,0,0]=3 117 B7R0.9 CC(C)(N)CC(N)=O AMY120 [0,1,0,0,0,0|1,0,0]=2 118 B7R0.9 CC(C)(O)CC(=O)[O-] AMY39074 [0,1,0,0,0,0|2,0,0]=3 119 B7R0.9 CC(C)CS(=O)(=O)Cl AMY3057 [0,1,0,0,0,0|3,0,0]=4 120 B7R0.9 CC(F)(F)CC(=O)O AMY6154 [0,1,0,0,0,0|3,0,0]=4 121 B7R0.9 CN(C)CC(C)(C)N AMY40945 [0,1,0,0,0,0|1,0,1]=3 122 B7R0.9 CN(C)CC(C)(C)O AMY9263 [0,1,0,0,0,0|1,0,2]=4 123 B7R0.9 CN(C)C[B-](F)(F)F AM86339 [0,1,0,0,0,0|3,0,0]=4 124 B7R0.9 CS(=O)(=O)CC(=O)O AMY14249 [0,1,0,0,0,0|3,0,0]=4 125 B7R0.9 C[N+](C)(C)CC(=O)[O-] AM90357 [0,1,0,0,0,0|1,0,1]=3 126 B7R0.9 C[N+](C)(C)CC(=O)[O-] AMY22129 [0,1,0,0,0,0|1,0,1]=3 127 B7R0.9 NC(=O)CC(F)(F)F AMY15466 [0,1,0,0,0,0|3,0,0]=4 128 B7R0.16 C=C(C)C(=O)N(C)C AM85878 [0,1,0,0,0,0|2,0,1]=4 129 B7R0.16 C=C(C)[C@@H](N)C(=O)O AMY23937 [0,1,0,0,0,0|2,0,1]=4 130 B7R0.16 CC(=O)C(Cl)C(C)=O AMY3866 [0,1,0,0,0,0|3,0,0]=4 131 B7R0.16 CC(C)=C(Br)N(C)C AMY39897 [0,1,0,0,0,0|2,0,1]=4 132 B7R0.16 CC(C)C(=O)C(=O)[O-] AMY37099 [0,1,0,0,0,0|2,0,1]=4 133 B7R0.16 CC(C)[C@H](Br)C(=O)O AMY13608 [0,1,0,0,0,0|2,0,0]=3 134 B7R0.16 CC(C)[C@H](Cl)C(=O)O AM9806 [0,1,0,0,0,0|2,0,0]=3 135 B7R0.16 CC(C)[C@H](N)C(=O)O AM82362 [0,1,0,0,0,0|2,0,0]=3 136 B7R0.16 CC(C)[C@H](N)C(=O)O AM82363 [0,1,0,0,0,0|2,0,0]=3 137 B7R0.16 CC(C)[C@H](N)C(=O)O AM82364 [0,1,0,0,0,0|2,0,0]=3 138 B7R0.16 CC(C)[C@H](N)C(N)=O AM82387 [0,1,0,0,0,0|1,0,0]=2 139 B7R0.16 CC(C)[C@H](O)C(=O)O AMY22056 [0,1,0,0,0,0|2,0,0]=3 140 B7R0.16 CC(O)C(N)C(=O)O AMY25310 [0,1,0,0,0,0|3,0,0]=4 141 B7R0.16 CN(C)C(=O)C(=O)O AM20090487 [0,1,0,0,0,0|1,0,1]=3 142 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O AM20100684 [0,1,0,0,0,0|3,0,0]=4 143 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O AM82240 [0,1,0,0,0,0|3,0,0]=4 144 B7R0.16 C[C@@H](O)[C@H](N)C(N)=O AM82268 [0,1,0,0,0,0|2,0,0]=3 145 B7R0.16 C[C@H](O)[C@H](N)C(=O)O AM20090281 [0,1,0,0,0,0|3,0,0]=4 146 B7R0.16 C[C@H](O)[C@H](N)C(=O)O AM82272 [0,1,0,0,0,0|3,0,0]=4 147 B7R0.16 NC(=O)C(N)C(N)=O AM20100518 [0,1,0,0,0,0|3,0,0]=4 148 B7R1.2 CC1=CC(=O)NO1 AMY22453 [0,0,0,1,0,0|2,0,1]=4 149 B7R1.2 CN1C=C(N)C=N1 AM20100657 [0,0,0,1,0,0|2,0,1]=4 150 B7R1.2 CN1C=C(N)C=N1 AMY10788 [0,0,0,1,0,0|2,0,1]=4 151 B7R1.2 CN1C=CC(=O)N1 AMY281 [0,0,0,1,0,0|2,0,1]=4 152 B7R1.2 CN1C=CC(N)=N1 AM20090111 [0,0,0,1,0,0|2,0,1]=4 153 B7R1.2 CN1C=NC(N)=C1 AM10052 [0,0,0,1,0,0|1,0,2]=4 154 B7R1.2 CN1C=NC(N)=C1 AM85916 [0,0,0,1,0,0|1,0,2]=4 155 B7R1.2 CN1C=NC(N)=N1 AM803957 [0,0,0,1,0,0|2,0,1]=4 156 B7R1.2 CN1CCC(=O)C1 AM20100632 [0,0,0,1,0,0|1,0,0]=2 157 B7R1.2 CN1CCC(=O)C1 AMY25051 [0,0,0,1,0,0|1,0,0]=2 158 B7R1.2 CN1CC[C@@H](N)C1 AMY4251 [0,0,0,1,0,0|1,0,1]=3 159 B7R1.2 CN1CC[C@@H](O)C1 AMY6896 [0,0,0,1,0,0|1,0,2]=4 160 B7R1.2 CN1CC[C@H](Br)C1 AM90549 [0,0,0,1,0,0|2,0,1]=4 161 B7R1.2 CN1CC[C@H](Br)C1 AM95159 [0,0,0,1,0,0|2,0,1]=4 162 B7R1.2 CN1CC[C@H](Br)C1 AM95472 [0,0,0,1,0,0|2,0,1]=4 163 B7R1.2 CN1CC[C@H](Cl)C1 AM90550 [0,0,0,1,0,0|2,0,1]=4 164 B7R1.2 CN1CC[C@H](Cl)C1 AM95465 [0,0,0,1,0,0|2,0,1]=4 165 B7R1.2 CN1CC[C@H](Cl)C1 AM96651 [0,0,0,1,0,0|2,0,1]=4 166 B7R1.2 CN1CC[C@H](I)C1 AM95042 [0,0,0,1,0,0|2,0,1]=4 167 B7R1.2 CN1CC[C@H](I)C1 AM96157 [0,0,0,1,0,0|2,0,1]=4 168 B7R1.2 CN1CC[C@H](I)C1 AM96345 [0,0,0,1,0,0|2,0,1]=4 169 B7R1.2 CN1CC[C@H](N)C1 AM100508 [0,0,0,1,0,0|1,0,1]=3 170 B7R1.2 CN1CC[C@H](N)C1 AM20080232 [0,0,0,1,0,0|1,0,1]=3 171 B7R1.2 CN1CC[C@H](N)C1 AM20100169 [0,0,0,1,0,0|1,0,1]=3 172 B7R1.2 CN1CC[C@H](N)C1 AMY4271 [0,0,0,1,0,0|1,0,1]=3 173 B7R1.2 CN1CC[C@H](O)C1 AM20080233 [0,0,0,1,0,0|1,0,2]=4 174 B7R1.2 CN1CC[C@H](O)C1 AMY30559 [0,0,0,1,0,0|1,0,2]=4 175 B7R1.2 CN1N=NC(N)=N1 AMY40621 [0,0,0,1,0,0|3,0,0]=4 176 B7R1.2 C[C@@H]1CCC(=O)N1 AMY37338 [0,0,0,1,0,0|3,0,0]=4 177 B7R1.2 C[C@@H]1CNC(=O)C1 AMY34987 [0,0,0,1,0,0|1,0,0]=2 178 B7R1.2 C[C@H]1CCC(=O)C1 AMY3874 [0,0,0,1,0,0|2,0,0]=3 179 B7R1.2 C[C@H]1CCC(=O)N1 AMY23794 [0,0,0,1,0,0|3,0,0]=4 180 B7R1.2 C[C@H]1CNC(=O)C1 AMY35747 [0,0,0,1,0,0|1,0,0]=2 181 B7R1.2 C[C@H]1CNC(=O)O1 AMY3772 [0,0,0,1,0,0|2,0,0]=3 182 B7R1.2 N[C@@H]1CNC(=O)C1 AMY34929 [0,0,0,1,0,0|2,0,0]=3 183 B7R1.2 N[C@@H]1COC(=O)C1 AMY22231 [0,0,0,1,0,0|3,0,0]=4 184 B7R1.2 N[C@H]1COC(=O)C1 AMY18836 [0,0,0,1,0,0|3,0,0]=4 185 B7R1.2 O=C1C=C(Br)CN1 AMY36765 [0,0,0,1,0,0|2,0,1]=4 186 B7R1.2 O=C1CCC(=O)C1 AM20100026 [0,0,0,1,0,0|3,0,0]=4 187 B7R1.2 O=C1CC[C@H](O)C1 AMY33737 [0,0,0,1,0,0|3,0,0]=4 188 B7R1.2 O=C1CNC(=O)C1 AM20120511 [0,0,0,1,0,0|2,0,0]=3 189 B7R1.2 O=C1C[C@H](O)CN1 AM20090229 [0,0,0,1,0,0|2,0,0]=3 190 B7R1.2 O=C1C[C@H](O)CN1 AM20100631 [0,0,0,1,0,0|2,0,0]=3 191 B7R1.2 O=C1C[C@H](O)CN1 AMY22949 [0,0,0,1,0,0|2,0,0]=3 192 B7R1.2 O=C1C[C@H](O)CO1 AMY4221 [0,0,0,1,0,0|3,0,0]=4 193 B7R1.2 [CH][C@H]1CCN(C)C1 AMY4401 [0,0,0,1,0,0|2,0,1]=4 194 B7R1.12 CC1CC1C(=O)O AM803649 [0,0,0,1,0,0|2,0,0]=3 195 B7R1.12 CC1CC1C(N)=O AMY5644 [0,0,0,1,0,0|1,0,0]=2 196 B7R1.12 C[C@@H]1C[C@H]1C(=O)O AMY35644 [0,0,0,1,0,0|2,0,0]=3 197 B7R1.12 O=C(O)C1CC1F AMY5778 [0,0,0,1,0,0|3,0,0]=4 198 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F AMY5475 [0,0,0,1,0,0|3,0,0]=4 199 B7R1.12 O=C(O)[C@H]1C[C@@H]1F AM85620 [0,0,0,1,0,0|3,0,0]=4 200 B7R1.12 O=C(O)[C@H]1C[C@@H]1F AM85621 [0,0,0,1,0,0|3,0,0]=4 201 B7R1.12 O=C(O)[C@H]1C[C@H]1F AM85536 [0,0,0,1,0,0|3,0,0]=4 202 B7R1.12 O=C(O)[C@H]1C[C@H]1I AMY5812 [0,0,0,1,0,0|3,0,0]=4 203 B7R1.16 CC1(C)CC(N)C1 AMY34794 [0,0,0,1,0,0|2,0,1]=4 204 B7R1.20 CC(=O)CC1CC1 AM20100099 [0,0,0,1,0,0|2,0,0]=3 205 B7R1.20 O=C(O)CC1CC1 AM20100289 [0,0,0,1,0,0|2,0,0]=3 206 B5R0.5 C=C(C)C(=O)Cl AMY25816 [0,0,0,0,1,0|2,0,1]=4 207 B5R0.5 C=C(C)C(N)=O AMY13351 [0,0,0,0,1,0|1,0,1]=3 208 B5R0.5 CC(=O)C(=O)O AMY6082 [0,0,0,0,1,0|3,0,0]=4 209 B5R0.5 CC(=O)C(=O)[O-] AMY25534 [0,0,0,0,1,0|3,0,0]=4 210 B5R0.5 CC(=O)C(=O)[O-] AMY25673 [0,0,0,0,1,0|3,0,0]=4 211 B5R0.5 CC(=O)C(=O)[O-] AMY25702 [0,0,0,0,1,0|3,0,0]=4 212 B5R0.5 CC(=O)C(C)C AMY11021 [0,0,0,0,1,0|2,0,0]=3 213 B5R0.5 CC(=O)[C@H](C)F AMY5968 [0,0,0,0,1,0|3,0,0]=4 214 B5R0.5 CC(C)N(C)C AMY13340 [0,0,0,0,1,0|2,0,1]=4 215 B5R0.5 CC(C)[C@@H](C)N AMY22001 [0,0,0,0,1,0|2,0,1]=4 216 B5R0.5 CC(C)[C@H](C)N AMY14243 [0,0,0,0,1,0|2,0,1]=4 217 B5R0.5 CC(C)[N+](=O)[O-] AMY25784 [0,0,0,0,1,0|3,0,0]=4 218 B5R0.5 CC(O)C(=O)[O-] AMY37027 [0,0,0,0,1,0|3,0,0]=4 219 B5R0.5 CN(C)C(=N)N AM804111 [0,0,0,0,1,0|1,0,0]=2 220 B5R0.5 C[C@H](Br)C(=O)O AM81431 [0,0,0,0,1,0|3,0,0]=4 221 B5R0.5 C[C@H](Br)C(=O)O AM81432 [0,0,0,0,1,0|3,0,0]=4 222 B5R0.5 C[C@H](Br)C(=O)O AMY21881 [0,0,0,0,1,0|3,0,0]=4 223 B5R0.5 C[C@H](Br)C(N)=O AMY7273 [0,0,0,0,1,0|2,0,0]=3 224 B5R0.5 C[C@H](Cl)C(=O)Cl AMY40167 [0,0,0,0,1,0|3,0,0]=4 225 B5R0.5 C[C@H](Cl)C(=O)O AM81429 [0,0,0,0,1,0|3,0,0]=4 226 B5R0.5 C[C@H](Cl)C(=O)O AM81430 [0,0,0,0,1,0|3,0,0]=4 227 B5R0.5 C[C@H](Cl)C(=O)O AMY4045 [0,0,0,0,1,0|3,0,0]=4 228 B5R0.5 C[C@H](F)C(=O)O AMY5967 [0,0,0,0,1,0|3,0,0]=4 229 B5R0.5 C[C@H](N)C(=O)O AM20090411 [0,0,0,0,1,0|3,0,0]=4 230 B5R0.5 C[C@H](N)C(=O)O AM20090517 [0,0,0,0,1,0|3,0,0]=4 231 B5R0.5 C[C@H](N)C(=O)O AM20100374 [0,0,0,0,1,0|3,0,0]=4 232 B5R0.5 C[C@H](N)C(N)=O AM20090503 [0,0,0,0,1,0|2,0,0]=3 233 B5R0.5 C[C@H](N)C(N)=O AM81484 [0,0,0,0,1,0|2,0,0]=3 234 B5R0.5 C[C@H](O)C(=N)N AM806558 [0,0,0,0,1,0|3,0,0]=4 235 B5R0.5 C[C@H](O)C(=O)O AM87208 [0,0,0,0,1,0|3,0,0]=4 236 B5R0.5 C[C@H](O)C(=O)[O-] AMY22237 [0,0,0,0,1,0|3,0,0]=4 237 B5R0.5 NC(=O)C(N)=O AMY23583 [0,0,0,0,1,0|3,0,0]=4 238 B7R0.6 CC(=O)CCC(=O)O AM20080171 [0,0,0,0,0,1|3,0,0]=4 239 B7R0.6 CC(=O)CCC(C)=O AMY25528 [0,0,0,0,0,1|3,0,0]=4 240 B7R0.6 CC(=O)CNC(C)=O AMY32031 [0,0,0,0,0,1|3,0,0]=4 241 B7R0.6 CC(=O)NCC(=O)O AM81782 [0,0,0,0,0,1|3,0,0]=4 242 B7R0.6 CC(=O)OCC(=O)Cl AMY39424 [0,0,0,0,0,1|3,0,0]=4 243 B7R0.6 CC(=O)OCC(=O)O AMY3826 [0,0,0,0,0,1|3,0,0]=4 244 B7R0.6 CC(=O)\C=C\N(C)C AMY31395 [0,0,0,0,0,1|1,0,1]=3 245 B7R0.6 CC(C)CCC(=O)Cl AMY33518 [0,0,0,0,0,1|2,0,0]=3 246 B7R0.6 CC(C)CC[C@H](C)N AMY3922 [0,0,0,0,0,1|2,0,1]=4 247 B7R0.6 CC(C)NCC(=O)Cl AM87903 [0,0,0,0,0,1|2,0,0]=3 248 B7R0.6 CC(C)OCC(=O)O AMY4704 [0,0,0,0,0,1|2,0,0]=3 249 B7R0.6 CN(C)CCC(=O)O AM86616 [0,0,0,0,0,1|1,0,0]=2 250 B7R0.6 CN(C)CCN(C)C AMY11857 [0,0,0,0,0,1|3,0,0]=4 251 B7R0.6 CN(C)CCN(C)C AMY5730 [0,0,0,0,0,1|3,0,0]=4 252 B7R0.6 CN(C)\C=C\[N+](=O)[O-] AM88106 [0,0,0,0,0,1|2,0,1]=4 253 B4R0.1 C#CC(N)=O AM20100705 [2,0,0,0,0,0|0,0,2]=4 254 B4R0.1 C=C(C)C=O AMY28760 [2,0,0,0,0,0|1,0,1]=4 255 B4R0.1 C=C(C)CN AMY13356 [2,0,0,0,0,0|1,0,1]=4 256 B4R0.1 C=C=C(C)C AMY42296 [2,0,0,0,0,0|1,0,1]=4 257 B4R0.1 CC(=O)CBr AM85840 [2,0,0,0,0,0|2,0,0]=4 258 B4R0.1 CC(=O)CN AMY15017 [2,0,0,0,0,0|1,0,0]=3 259 B4R0.1 CC(=O)CN AMY25062 [2,0,0,0,0,0|1,0,0]=3 260 B4R0.1 CC(=O)NN AM20080014 [2,0,0,0,0,0|2,0,0]=4 261 B4R0.1 CC(=O)NO AM20100343 [2,0,0,0,0,0|2,0,0]=4 262 B4R0.1 CC(C)=CBr AM85707 [2,0,0,0,0,0|2,0,0]=4 263 B4R0.1 CC(C)=NN AM9761 [2,0,0,0,0,0|2,0,0]=4 264 B4R0.1 CC(C)CBr AMY25783 [2,0,0,0,0,0|2,0,0]=4 265 B4R0.1 CC(C)NN AM20090002 [2,0,0,0,0,0|2,0,0]=4 266 B4R0.1 CC(C)NN AMY202003297 [2,0,0,0,0,0|2,0,0]=4 267 B4R0.1 CC(C)ON AM90376 [2,0,0,0,0,0|2,0,0]=4 268 B4R0.1 CCC(=N)N AM803843 [2,0,0,0,0,0|1,0,0]=3 269 B4R0.1 CCC(=O)Cl AMY4112 [2,0,0,0,0,0|1,0,0]=3 270 B4R0.1 CCC(=O)O AMY4114 [2,0,0,0,0,0|1,0,0]=3 271 B4R0.1 CCC(=O)[O-] AMY22300 [2,0,0,0,0,0|1,0,0]=3 272 B4R0.1 CCC(=O)[O-] AMY37013 [2,0,0,0,0,0|1,0,0]=3 273 B4R0.1 CCC(N)=S AMY39288 [2,0,0,0,0,0|0,1,0]=3 274 B4R0.1 CCN(C)C AMY13339 [2,0,0,0,0,0|0,0,1]=3 275 B4R0.1 CC[S@](=O)[O-] AMY15674 [2,0,0,0,0,0|2,0,0]=4 276 B4R0.1 CN(C)C=S AMY40664 [2,0,0,0,0,0|0,1,0]=3 277 B4R0.1 CN(C)CCl AMY39211 [2,0,0,0,0,0|1,0,0]=3 278 B4R0.1 CNC(=N)N AM20090228 [2,0,0,0,0,0|1,0,0]=3 279 B4R0.1 CNC(C)=O AMY4115 [2,0,0,0,0,0|1,0,0]=3 280 B4R0.1 CNC(N)=O AMY40217 [2,0,0,0,0,0|0,0,0]=2 281 B4R0.1 COC(=N)N AM85805 [2,0,0,0,0,0|2,0,0]=4 282 B4R0.1 COC(=N)N AMY8981 [2,0,0,0,0,0|2,0,0]=4 283 B4R0.1 COC(N)=O AMY4044 [2,0,0,0,0,0|1,0,0]=3 284 B4R0.1 CSC(=N)N AMY22236 [2,0,0,0,0,0|2,0,0]=4 285 B4R0.1 CSC(=N)N AMY304 [2,0,0,0,0,0|2,0,0]=4 286 B4R0.1 C[C@@H](N)CN AMY3648 [2,0,0,0,0,0|1,0,1]=4 287 B4R0.1 C[C@H](N)CN AMY3672 [2,0,0,0,0,0|1,0,1]=4 288 B4R0.1 C[C@H](O)CN AM20090353 [2,0,0,0,0,0|2,0,0]=4 289 B4R0.1 C[C@H](O)CN AM20100779 [2,0,0,0,0,0|2,0,0]=4 290 B4R0.1 C[C@H](O)CN AM81450 [2,0,0,0,0,0|2,0,0]=4 291 B4R0.1 N=C(N)NN AMY40484 [2,0,0,0,0,0|2,0,0]=4 292 B4R0.1 N=C(N)NN AMY873 [2,0,0,0,0,0|2,0,0]=4 293 B4R0.1 N=C(N)NO AMY31983 [2,0,0,0,0,0|2,0,0]=4 294 B4R0.1 NC(=O)CBr AM85872 [2,0,0,0,0,0|1,0,0]=3 295 B4R0.1 NC(=O)CCl AMY4113 [2,0,0,0,0,0|1,0,0]=3 296 B4R0.1 NC(=O)NO AMY40858 [2,0,0,0,0,0|1,0,0]=3 297 B4R0.1 NCC(=O)O AM81781 [2,0,0,0,0,0|1,0,0]=3 298 B4R0.1 NCC(=O)[O-] AMY37022 [2,0,0,0,0,0|1,0,0]=3 299 B4R0.1 NCC(N)=O AM20080473 [2,0,0,0,0,0|0,0,0]=2 300 B4R0.1 NCC(N)=O AMY20517 [2,0,0,0,0,0|0,0,0]=2 301 B4R0.1 NCC(N)=O AMY22705 [2,0,0,0,0,0|0,0,0]=2 302 B4R0.1 NNC(N)=S AM20100785 [2,0,0,0,0,0|1,1,0]=4 303 B4R0.1 O=C(Br)CBr AMY21867 [2,0,0,0,0,0|2,0,0]=4 304 B4R0.1 O=C(Cl)CBr AMY13645 [2,0,0,0,0,0|2,0,0]=4 305 B4R0.1 O=C(Cl)CCl AMY40193 [2,0,0,0,0,0|2,0,0]=4 306 B4R0.1 O=C([O-])CS AMY25320 [2,0,0,0,0,0|2,0,0]=4 307 B4R0.1 [Li]CC(C)C AMY14929 [2,0,0,0,0,0|2,0,0]=4 308 B4R0.2 C=CCNC AMY13350 [2,0,0,0,0,0|1,0,0]=3 309 B4R0.2 C=CCNN AM806419 [2,0,0,0,0,0|2,0,0]=4 310 B4R0.2 C=CCOC AM20100534 [2,0,0,0,0,0|2,0,0]=4 311 B4R0.2 CCCCN AMY21914 [2,0,0,0,0,0|1,0,1]=4 312 B4R0.2 CCCNN AM9771 [2,0,0,0,0,0|2,0,0]=4 313 B4R0.2 CNCC#N AM20090317 [2,0,0,0,0,0|0,0,2]=4 314 B4R0.2 CNCCCl AM803928 [2,0,0,0,0,0|1,0,1]=4 315 B4R0.2 CNCCF AMY202003232 [2,0,0,0,0,0|1,0,1]=4 316 B4R0.2 CNCCO AMY32697 [2,0,0,0,0,0|0,0,2]=4 317 B4R0.2 COCCN AM808206 [2,0,0,0,0,0|1,0,1]=4 318 B4R0.2 CSCCN AMY33509 [2,0,0,0,0,0|1,0,1]=4 319 B6R0.1 CCNC(=O)NC AM85700 [1,1,0,0,0,0|2,0,0]=4 320 B6R0.1 CCOC(=O)CN AM81786 [1,1,0,0,0,0|2,0,0]=4 321 B6R0.1 CCOC(=O)NC AMY3767 [1,1,0,0,0,0|2,0,0]=4 322 B6R0.1 CCOC(=O)NN AMY23328 [1,1,0,0,0,0|2,0,0]=4 323 B6R0.1 CNC(=O)CC#N AM20100565 [1,1,0,0,0,0|2,0,0]=4 324 B6R0.1 CNCC(=O)OC AM82645 [1,1,0,0,0,0|1,0,0]=3 325 B6R0.1 COC(=O)CSC AMY10908 [1,1,0,0,0,0|2,0,0]=4 326 B6R0.1 COCC(=O)NN AMY3068 [1,1,0,0,0,0|1,0,0]=3 327 B6R0.1 COCC(=O)OC AMY4063 [1,1,0,0,0,0|2,0,0]=4 328 B6R0.1 C[C@H](CN)CCN AMY1782 [1,1,0,0,0,0|1,0,1]=4 329 B6R0.1 N#CCC(=O)NN AMY5330 [1,1,0,0,0,0|2,0,0]=4 330 B6R0.3 C=CC(=O)N(C)C AM84856 [1,1,0,0,0,0|1,0,1]=4 331 B6R0.3 CC(=O)[C@@H](C)C=O AMY6397 [1,1,0,0,0,0|2,0,0]=4 332 B6R0.3 CC[C@@H](Br)C(=O)O AMY2458 [1,1,0,0,0,0|2,0,0]=4 333 B6R0.3 CC[C@@H](N)C(N)=O AMY725 [1,1,0,0,0,0|1,0,0]=3 334 B6R0.3 CC[C@H](Br)C(=O)O AM81433 [1,1,0,0,0,0|2,0,0]=4 335 B6R0.3 CC[C@H](C)C(=O)O AM802977 [1,1,0,0,0,0|2,0,0]=4 336 B6R0.3 CC[C@H](N)C(=O)O AM20080375 [1,1,0,0,0,0|2,0,0]=4 337 B6R0.3 CC[C@H](N)C(=O)O AM20090323 [1,1,0,0,0,0|2,0,0]=4 338 B6R0.3 CC[C@H](N)C(=O)O AM20090360 [1,1,0,0,0,0|2,0,0]=4 339 B6R0.3 CC[C@H](N)C(N)=O AM20100759 [1,1,0,0,0,0|1,0,0]=3 340 B6R0.3 CC[C@H](N)C(N)=O AM20120294 [1,1,0,0,0,0|1,0,0]=3 341 B6R0.3 CC[C@H](S)C(=O)O AMY2446 [1,1,0,0,0,0|2,0,0]=4 342 B6R0.3 CN(C)C(=O)CN AM20100689 [1,1,0,0,0,0|0,0,2]=4 343 B6R0.3 CN(C)C(=O)CN AMY4281 [1,1,0,0,0,0|0,0,2]=4 344 B6R0.3 CN[C@@H](C)C(=O)O AM81482 [1,1,0,0,0,0|1,0,0]=3 345 B6R0.3 CN[C@@H](C)C(=O)O AM82991 [1,1,0,0,0,0|1,0,0]=3 346 B6R0.3 CN[C@@H](C)C(=O)O AM9397 [1,1,0,0,0,0|1,0,0]=3 347 B6R0.3 CN[C@@H](C)C(=O)[O-] AM9064 [1,1,0,0,0,0|1,0,0]=3 348 B6R0.3 CN[C@H](C)C(=O)O AMY25382 [1,1,0,0,0,0|1,0,0]=3 349 B6R0.3 CO[C@H](C)C(=O)O AM84813 [1,1,0,0,0,0|2,0,0]=4 350 B6R0.3 N#C[C@@H](N)C(N)=O AMY203 [1,1,0,0,0,0|2,0,0]=4 351 B6R0.3 NC(=O)C(N)CO AM806435 [1,1,0,0,0,0|2,0,0]=4 352 B6R0.3 NC(=O)[C@@H](N)CO AM20100594 [1,1,0,0,0,0|2,0,0]=4 353 B6R0.4 C=CNCC(=O)O AMY22733 [1,1,0,0,0,0|1,0,1]=4 354 B6R0.4 CC(C)CON=O AMY4012 [1,1,0,0,0,0|2,0,0]=4 355 B6R0.4 CCCCC(=O)[O-] AMY026 [1,1,0,0,0,0|2,0,0]=4 356 B6R0.4 CCCCN(C)C AMY25818 [1,1,0,0,0,0|1,0,1]=4 357 B6R0.4 CCCOC(=O)Cl AMY3779 [1,1,0,0,0,0|2,0,0]=4 358 B6R0.4 CCOCC(=O)O AMY4062 [1,1,0,0,0,0|2,0,0]=4 359 B6R0.4 CCSCC(=O)O AM20100532 [1,1,0,0,0,0|2,0,0]=4 360 B6R0.4 CN(C)CCCCl AM84336 [1,1,0,0,0,0|1,0,1]=4 361 B6R0.4 CN(C)CCCCl AM90218 [1,1,0,0,0,0|1,0,1]=4 362 B6R0.4 CN(C)CCON AMY27281 [1,1,0,0,0,0|0,0,1]=3 363 B6R0.4 CN(C)\C=C\C=O AM20120332 [1,1,0,0,0,0|0,0,1]=3 364 B6R0.4 CNCCC(=O)O AM84855 [1,1,0,0,0,0|1,0,0]=3 365 B6R0.4 CNCCC(C)C AMY37348 [1,1,0,0,0,0|1,0,1]=4 366 B6R0.4 CNCCC(C)C AMY37370 [1,1,0,0,0,0|1,0,1]=4 367 B6R0.4 CNCCN(C)C AMY10373 [1,1,0,0,0,0|0,0,1]=3 368 B6R0.4 COCCC(=O)O AMY2689 [1,1,0,0,0,0|2,0,0]=4 369 B6R0.4 NC(=O)OCCCl AMY19018 [1,1,0,0,0,0|2,0,0]=4 370 B6R0.4 NCCCC(=O)O AM20100372 [1,1,0,0,0,0|2,0,0]=4 371 B6R0.4 NCCCC(N)=O AMY15220 [1,1,0,0,0,0|1,0,0]=3 372 B6R0.4 O=C(Cl)CCCCl AMY25684 [1,1,0,0,0,0|2,0,0]=4 373 B6R0.4 O=C(O)CCCS AM20080221 [1,1,0,0,0,0|2,0,0]=4 374 B6R0.5 C=CC[Si](C)(C)C AMY7007 [1,1,0,0,0,0|2,0,0]=4 375 B6R0.5 C=CC[Si](C)(C)Cl AMY19831 [1,1,0,0,0,0|2,0,0]=4 376 B6R0.5 CC(C)(C)CC=O AM20090398 [1,1,0,0,0,0|1,0,0]=3 377 B6R0.5 CC(C)(O)CCN AMY42489 [1,1,0,0,0,0|1,0,1]=4 378 B6R0.5 CCCS(N)(=O)=O AMY27802 [1,1,0,0,0,0|2,0,0]=4 379 B6R0.7 CC(=O)C(C)(C)N AM806454 [0,1,0,0,1,0|2,0,0]=4 380 B6R0.7 CC(=O)C(C)(C)O AM84347 [0,1,0,0,1,0|2,0,0]=4 381 B6R0.7 CC(C)(Br)C(=O)Br AM84723 [0,1,0,0,1,0|2,0,0]=4 382 B6R0.7 CC(C)(Br)C(=O)O AM20090161 [0,1,0,0,1,0|2,0,0]=4 383 B6R0.7 CC(C)(Br)C(N)=O AMY7268 [0,1,0,0,1,0|1,0,0]=3 384 B6R0.7 CC(C)(C)C(=N)N AM804113 [0,1,0,0,1,0|2,0,0]=4 385 B6R0.7 CC(C)(C)C(=N)N AMY25598 [0,1,0,0,1,0|2,0,0]=4 386 B6R0.7 CC(C)(C)C(N)=S AM20100553 [0,1,0,0,1,0|1,1,0]=4 387 B6R0.7 CC(C)(C)[S@@](N)=O AM20080353 [0,1,0,0,1,0|2,0,0]=4 388 B6R0.7 CC(C)(C)[S@@](N)=O AM62752 [0,1,0,0,1,0|2,0,0]=4 389 B6R0.7 CC(C)(C)[S@@](N)=O AM62767 [0,1,0,0,1,0|2,0,0]=4 390 B6R0.7 CC(C)(N)C(=O)O AM20100517 [0,1,0,0,1,0|2,0,0]=4 391 B6R0.7 CC(C)(N)C(N)=O AMY20154 [0,1,0,0,1,0|1,0,0]=3 392 B6R0.7 CN(C)S(=O)(=O)Cl AM20080241 [0,1,0,0,1,0|2,0,0]=4 393 B6R0.7 CN(C)S(N)(=O)=O AM20100051 [0,1,0,0,1,0|1,0,0]=3 394 B8R0.9 COC(=O)CCN(C)C AM807052 [0,1,0,0,0,1|1,0,0]=3 395 B8R0.23 C=C(CC(C)C)C(=O)O AM806663 [0,1,0,0,0,1|2,0,0]=4 396 B8R0.23 CC(C)CC(=O)C(=O)[O-] AMY25700 [0,1,0,0,0,1|2,0,0]=4 397 B8R0.23 CC(C)C[C@H](N)C(=O)O AM20090485 [0,1,0,0,0,1|2,0,0]=4 398 B8R0.23 CC(C)C[C@H](N)C(=O)O AM81870 [0,1,0,0,0,1|2,0,0]=4 399 B8R0.23 CC(C)C[C@H](N)C(=O)O AM81871 [0,1,0,0,0,1|2,0,0]=4 400 B8R0.23 CC(C)C[C@H](N)C(=O)O AMY22186 [0,1,0,0,0,1|2,0,0]=4 401 B8R0.23 CC(C)C[C@H](N)C(N)=O AM81895 [0,1,0,0,0,1|1,0,0]=3 402 B8R0.23 CC(C)C[C@H](O)C(=O)O AMY22161 [0,1,0,0,0,1|2,0,0]=4 403 B8R0.23 CC(C)[C@@H](N)CC(=O)O AMY30425 [0,1,0,0,0,1|2,0,0]=4 404 B8R0.23 CC(C)[C@H](N)CC(=O)O AMY14234 [0,1,0,0,0,1|2,0,0]=4 405 B8R0.23 CC(C)[C@H](N)CC(=O)O AMY30426 [0,1,0,0,0,1|2,0,0]=4 406 B8R0.29 CC(=O)CSC(C)(C)C AMY32434 [0,1,0,0,0,1|2,0,0]=4 407 B8R0.29 CC(C)(C)NCC(=O)Cl AM20090700 [0,1,0,0,0,1|2,0,0]=4 408 B8R0.29 CC(C)(C)NCC(=O)O AM20090715 [0,1,0,0,0,1|2,0,0]=4 409 B8R0.29 CC(C)(C)OCC(=O)O AMY11484 [0,1,0,0,0,1|2,0,0]=4 410 B8R0.29 CN(C)CCC(C)(C)N AMY19080 [0,1,0,0,0,1|1,0,1]=4 411 B8R0.2 CCC(C)C(Br)C(=O)O AMY25125 [0,2,0,0,0,0|2,0,0]=4 412 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O AM81860 [0,2,0,0,0,0|2,0,0]=4 413 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O AM81861 [0,2,0,0,0,0|2,0,0]=4 414 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O AM81840 [0,2,0,0,0,0|2,0,0]=4 415 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O AM81842 [0,2,0,0,0,0|2,0,0]=4 416 B8R0.2 COC(=O)[C@@H](Br)C(C)C AM20090325 [0,2,0,0,0,0|2,0,0]=4 417 B8R0.2 COC(=O)[C@@H](N)C(C)C AM20100385 [0,2,0,0,0,0|2,0,0]=4 418 B8R0.2 COC(=O)[C@@H](N)C(C)C AM20100557 [0,2,0,0,0,0|2,0,0]=4 419 B8R0.2 COC(=O)[C@@H](N)C(C)C AM20100674 [0,2,0,0,0,0|2,0,0]=4 420 B8R0.2 COC(=O)[C@@H](O)C(C)C AMY16025 [0,2,0,0,0,0|2,0,0]=4 421 B8R0.2 COC(=O)[C@@H](O)C(C)C AMY31877 [0,2,0,0,0,0|2,0,0]=4 422 B8R0.2 COC(=O)[C@H](O)C(C)C AMY16017 [0,2,0,0,0,0|2,0,0]=4 423 B8R0.2 CON(C)C(=O)C(C)=O AMY7760 [0,2,0,0,0,0|1,0,1]=4 424 B8R0.2 CO[C@H](C)[C@H](N)C(=O)O AM82265 [0,2,0,0,0,0|2,0,0]=4 425 B8R0.5 CCOC(=O)CC(N)=O AMY2619 [0,2,0,0,0,0|2,0,0]=4 426 B8R0.5 CCOC(=O)CN(C)C AMY3944 [0,2,0,0,0,0|1,0,0]=3 427 B8R0.16 CO\C(C=O)=C/N(C)C AM20080541 [0,2,0,0,0,0|1,0,1]=4 428 B8R0.24 CC(C)(C)OC(=O)CN AM20090346 [0,2,0,0,0,0|2,0,0]=4 429 B8R0.24 CC(C)(C)OC(=O)CN AM62773 [0,2,0,0,0,0|2,0,0]=4 430 B8R0.24 CC(C)(C)OC(=O)NN AM20110248 [0,2,0,0,0,0|2,0,0]=4 431 B8R0.24 CC(C)(C)OC(=O)NO AM20090572 [0,2,0,0,0,0|2,0,0]=4 432 B8R0.24 CNC(=O)CS(C)(=O)=O AMY20605 [0,2,0,0,0,0|2,0,0]=4 433 B8R0.24 CNC(=O)OC(C)(C)C AMY31371 [0,2,0,0,0,0|2,0,0]=4 434 B8R0.24 C[N+](C)(C)CC(=O)NN AMY742 [0,2,0,0,0,0|0,0,1]=3 435 B8R0.27 CC(C)(C)[C@H](Br)C(=O)O AMY13616 [0,2,0,0,0,0|2,0,0]=4 436 B8R0.27 CC(C)(C)[C@H](N)C(=O)O AM20090175 [0,2,0,0,0,0|2,0,0]=4 437 B8R0.27 CC(C)(C)[C@H](N)C(=O)O AM20090329 [0,2,0,0,0,0|2,0,0]=4 438 B8R0.27 CC(C)(C)[C@H](N)C(=O)O AM20090501 [0,2,0,0,0,0|2,0,0]=4 439 B8R0.27 CC(C)(C)[C@H](O)C(=O)O AMY13579 [0,2,0,0,0,0|2,0,0]=4 440 B8R0.27 CC(C)(S)[C@H](N)C(=O)O AM83710 [0,2,0,0,0,0|2,0,0]=4 441 B8R0.27 CC(C)(S)[C@H](N)C(=O)O AMY42343 [0,2,0,0,0,0|2,0,0]=4 442 B8R0.18 CC(C)[C@H](CN)C(=O)O AM9635 [0,2,0,0,0,0|2,0,0]=4 443 B8R0.18 CN[C@@H](C(=O)O)C(C)C AMY22718 [0,2,0,0,0,0|2,0,0]=4 444 B8R0.18 CN[C@H](C(=O)O)C(C)C AM82389 [0,2,0,0,0,0|2,0,0]=4 445 B8R0.18 CN[C@H](C(=O)O)C(C)C AM9218 [0,2,0,0,0,0|2,0,0]=4 446 B8R0.18 CN[C@H](C(=O)O)C(C)C AM9482 [0,2,0,0,0,0|2,0,0]=4 447 B6R1.2 CN1CCCC1 AMY25542 [1,0,0,1,0,0|1,0,1]=4 448 B6R1.2 C[C@@H]1CCNC1 AMY37511 [1,0,0,1,0,0|1,0,1]=4 449 B6R1.2 C[C@H]1CCNC1 AM803039 [1,0,0,1,0,0|1,0,1]=4 450 B6R1.2 C[C@H]1CCNC1 AM803735 [1,0,0,1,0,0|1,0,1]=4 451 B6R1.2 C[C@H]1CCNC1 AMY37562 [1,0,0,1,0,0|1,0,1]=4 452 B6R1.2 N[C@H]1CCNC1 AM81992 [1,0,0,1,0,0|1,0,1]=4 453 B6R1.2 N[C@H]1CCNC1 AM81993 [1,0,0,1,0,0|1,0,1]=4 454 B6R1.2 N[C@H]1CCNC1 AM85320 [1,0,0,1,0,0|1,0,1]=4 455 B6R1.2 O=C1CC=NN1 AMY11924 [1,0,0,1,0,0|2,0,0]=4 456 B6R1.2 O=C1CCCC1 AMY37126 [1,0,0,1,0,0|2,0,0]=4 457 B6R1.2 O=C1CCCN1 AMY25506 [1,0,0,1,0,0|1,0,0]=3 458 B6R1.2 O=C1CCNC1 AM20120384 [1,0,0,1,0,0|1,0,0]=3 459 B6R1.2 O=C1CCNC1 AMY6183 [1,0,0,1,0,0|1,0,0]=3 460 B6R1.2 O=C1CCNN1 AMY39277 [1,0,0,1,0,0|2,0,0]=4 461 B6R1.2 O=C1CCOC1 AM20090235 [1,0,0,1,0,0|2,0,0]=4 462 B6R1.2 O=C1CCSC1 AMY23378 [1,0,0,1,0,0|2,0,0]=4 463 B6R1.2 O=C1CNCN1 AM84594 [1,0,0,1,0,0|0,0,0]=2 464 B6R1.2 O=C1NCCN1 AM20080146 [1,0,0,1,0,0|2,0,0]=4 465 B6R1.2 O=C1NCCO1 AMY39498 [1,0,0,1,0,0|2,0,0]=4 466 B6R1.3 NCCC1CC1 AMY39140 [1,0,0,1,0,0|1,0,1]=4 467 B6R1.3 NCCC1CC1 AMY4139 [1,0,0,1,0,0|1,0,1]=4 468 B6R1.3 NNCC1CC1 AM10018 [1,0,0,1,0,0|2,0,0]=4 469 B6R1.3 NNCC1CC1 AMY16104 [1,0,0,1,0,0|2,0,0]=4 470 B6R1.3 NOCC1CC1 AM90383 [1,0,0,1,0,0|2,0,0]=4 471 B6R1.3 O=CNC1CC1 AM804092 [1,0,0,1,0,0|2,0,0]=4 472 B6R1.5 CC1CC(=O)C1 AM806996 [1,0,0,1,0,0|1,0,0]=3 473 B6R1.5 CN1CC(N)C1 AMY4272 [1,0,0,1,0,0|0,0,1]=3 474 B6R1.5 CN1CC(O)C1 AM802928 [1,0,0,1,0,0|0,0,2]=4 475 B6R1.5 CN1CC(O)C1 AMY9067 [1,0,0,1,0,0|0,0,2]=4 476 B6R1.5 NC1CC(=O)C1 AM20070559 [1,0,0,1,0,0|2,0,0]=4 477 B6R1.5 O=C1CC(O)C1 AMY33736 [1,0,0,1,0,0|2,0,0]=4 478 B6R1.8 CC1CC1CN AM806562 [1,0,0,1,0,0|1,0,1]=4 479 B6R1.11 CC(=O)C1CC1 AM83286 [1,0,0,1,0,0|2,0,0]=4 480 B6R1.11 N=C(N)C1CC1 AM804064 [1,0,0,1,0,0|2,0,0]=4 481 B6R1.11 N=C(N)C1CC1 AMY202003285 [1,0,0,1,0,0|2,0,0]=4 482 B6R1.11 NC(=O)C1CC1 AM20100524 [1,0,0,1,0,0|1,0,0]=3 483 B6R1.11 NC(=O)[C@@H]1CN1 AMY19258 [1,0,0,1,0,0|0,0,0]=2 484 B6R1.11 NC(=S)C1CC1 AMY30195 [1,0,0,1,0,0|1,1,0]=4 485 B6R1.11 O=C(Cl)C1CC1 AMY3975 [1,0,0,1,0,0|2,0,0]=4 486 B6R1.11 O=C(O)C1CC1 AM83282 [1,0,0,1,0,0|2,0,0]=4 487 B6R1.11 O=C([O-])[C@@H]1CO1 AM85800 [1,0,0,1,0,0|2,0,0]=4 488 B8R1.3 CC1=NNC(=O)CC1 AMY24896 [0,0,0,1,0,1|2,0,0]=4 489 B8R1.3 CC1CCC(=O)CC1 AMY17977 [0,0,0,1,0,1|2,0,0]=4 490 B8R1.3 CN1CC=C(Br)CC1 AMY5718 [0,0,0,1,0,1|2,0,0]=4 491 B8R1.3 CN1CCC(=O)CC1 AM20080337 [0,0,0,1,0,1|1,0,0]=3 492 B8R1.3 CN1CCC(N)CC1 AM20100109 [0,0,0,1,0,1|1,0,1]=4 493 B8R1.3 CN1CCN(N)CC1 AM85350 [0,0,0,1,0,1|2,0,0]=4 494 B8R1.3 C[C@@H]1CNC(=O)CN1 AMY35752 [0,0,0,1,0,1|1,0,0]=3 495 B8R1.3 C[C@H]1CNC(=O)CN1 AMY35750 [0,0,0,1,0,1|1,0,0]=3 496 B8R1.3 N[C@@H]1CCC(=O)NC1 AMY31957 [0,0,0,1,0,1|2,0,0]=4 497 B8R1.3 N[C@H]1CCC(=O)NC1 AMY24060 [0,0,0,1,0,1|2,0,0]=4 498 B8R1.3 O=C1CCC(=O)NC1 AMY24844 [0,0,0,1,0,1|2,0,0]=4 499 B8R1.3 O=C1CC[C@H](O)CN1 AM84823 [0,0,0,1,0,1|2,0,0]=4 500 B8R1.23 CC1CC(C(=O)O)C1 AM804062 [0,0,0,1,0,1|2,0,0]=4 501 B8R1.23 CN1CC(C(=O)O)C1 AM20110258 [0,0,0,1,0,1|1,0,0]=3 502 B8R1.23 C[C@H]1C[C@@H](C(=O)O)C1 AMY34068 [0,0,0,1,0,1|2,0,0]=4 503 B8R1.23 C[C@H]1C[C@H](C(=O)O)C1 AMY34302 [0,0,0,1,0,1|2,0,0]=4 504 B8R1.35 O=C(O)CCC1CC1 AM8844 [0,0,0,1,0,1|2,0,0]=4 505 B8R1.51 CC1(C)CCC(=O)C1 AMY38476 [0,0,0,1,0,1|2,0,0]=4 506 B8R1.51 CC1(C)CCC(=O)N1 AM1043 [0,0,0,1,0,1|1,0,0]=3 507 B8R1.51 CC1(C)COC(=O)N1 AMY3917 [0,0,0,1,0,1|1,0,0]=3 508 B8R1.77 CC1(C)C[C@@H]1C(=O)O AMY21208 [0,0,0,1,0,1|2,0,0]=4 509 B8R1.1 CC[C@H]1CNC(=O)O1 AM806527 [0,1,0,1,0,0|2,0,0]=4 510 B8R1.1 CN1CC[C@@H](CN)C1 AMY35716 [0,1,0,1,0,0|1,0,1]=4 511 B8R1.1 CN1CC[C@H](C=O)C1 AM92662 [0,1,0,1,0,0|1,0,1]=4 512 B8R1.1 CN1CC[C@H](CN)C1 AM20080210 [0,1,0,1,0,0|1,0,1]=4 513 B8R1.1 CN[C@H]1CCN(C)C1 AM101291 [0,1,0,1,0,0|1,0,1]=4 514 B8R1.1 CN[C@H]1CCN(C)C1 AM101292 [0,1,0,1,0,0|1,0,1]=4 515 B8R1.1 CN[C@H]1CCN(C)C1 AM10511 [0,1,0,1,0,0|1,0,1]=4 516 B8R1.1 COC1=CC(=O)NC1 AMY31183 [0,1,0,1,0,0|1,0,1]=4 517 B8R1.1 NC[C@@H]1CNC(=O)C1 AMY34438 [0,1,0,1,0,0|1,0,0]=3 518 B8R1.1 NC[C@@H]1CNC(=O)C1 AMY4351 [0,1,0,1,0,0|1,0,0]=3 519 B8R1.1 NC[C@H]1CNC(=O)C1 AMY34442 [0,1,0,1,0,0|1,0,0]=3 520 B8R1.1 NC[C@H]1CNC(=O)O1 AMY33861 [0,1,0,1,0,0|2,0,0]=4 521 B8R1.1 O=C1C[C@H](CO)CO1 AM806516 [0,1,0,1,0,0|2,0,0]=4 522 B8R1.1 O=C1NC[C@H](CO)O1 AMY20364 [0,1,0,1,0,0|2,0,0]=4 523 B8R1.4 CN1CCCC(=O)C1 AM20100357 [0,1,0,1,0,0|1,0,0]=3 524 B8R1.4 CN1CCC[C@H](N)C1 AM100811 [0,1,0,1,0,0|1,0,1]=4 525 B8R1.4 CN1CCC[C@H](N)C1 AM101540 [0,1,0,1,0,0|1,0,1]=4 526 B8R1.4 CN1CCC[C@H](N)C1 AM20070636 [0,1,0,1,0,0|1,0,1]=4 527 B8R1.4 CN1CCC[C@H](N)C1 AM20120292 [0,1,0,1,0,0|1,0,1]=4 528 B8R1.4 CN1CCNC(=O)C1 AMY22966 [0,1,0,1,0,0|0,0,0]=2 529 B8R1.4 C[C@@H]1CN(C)CCN1 AMY38520 [0,1,0,1,0,0|1,0,1]=4 530 B8R1.4 C[C@H]1CC(=O)CCN1 AM20080278 [0,1,0,1,0,0|2,0,0]=4 531 B8R1.4 C[C@H]1CC(=O)CCN1 AMY13581 [0,1,0,1,0,0|2,0,0]=4 532 B8R1.4 C[C@H]1CC(=O)CCO1 AMY5961 [0,1,0,1,0,0|2,0,0]=4 533 B8R1.4 C[C@H]1CN(C)CCN1 AM100533 [0,1,0,1,0,0|1,0,1]=4 534 B8R1.4 C[C@H]1CN(C)CCN1 AMY24173 [0,1,0,1,0,0|1,0,1]=4 535 B8R1.4 C[C@H]1CN(C)CCN1 AMY5825 [0,1,0,1,0,0|1,0,1]=4 536 B8R1.4 C[C@H]1CNCC(=O)N1 AM804110 [0,1,0,1,0,0|2,0,0]=4 537 B8R1.4 N[C@H]1CCNC(=O)C1 AM20100356 [0,1,0,1,0,0|2,0,0]=4 538 B8R1.4 N[C@H]1CCNC(=O)C1 AMY34928 [0,1,0,1,0,0|2,0,0]=4 539 B8R1.4 O=C1CCNC(=O)C1 AM20100242 [0,1,0,1,0,0|2,0,0]=4 540 B8R1.4 O=C1C[C@@H](O)CCN1 AMY14353 [0,1,0,1,0,0|2,0,0]=4 541 B8R1.4 O=C1C[C@@H](O)CCN1 AMY9138 [0,1,0,1,0,0|2,0,0]=4 542 B8R1.4 O=C1C[C@H](O)CCN1 AMY41749 [0,1,0,1,0,0|2,0,0]=4 543 B8R1.18 CC1=CC(N)=NN1C AM807020 [0,1,0,1,0,0|2,0,0]=4 544 B8R1.18 CN1CC(=O)NC1=N AMY8979 [0,1,0,1,0,0|0,0,1]=3 545 B8R1.18 CN1C[C@@H](N)CC1=O AMY34923 [0,1,0,1,0,0|2,0,0]=4 546 B8R1.18 C[C@H]1CC(=O)N(C)C1 AM86073 [0,1,0,1,0,0|1,0,0]=3 547 B8R1.31 CC1CCC1C(=O)O AM807028 [0,1,0,1,0,0|2,0,0]=4 548 B8R1.31 CC1NCC1C(=O)O AMY35766 [0,1,0,1,0,0|2,0,0]=4 549 B8R1.34 CN(C)CC1CNC1 AMY34461 [0,1,0,1,0,0|1,0,1]=4 550 B8R1.34 O=C(O)CC1CCC1 AM807029 [0,1,0,1,0,0|2,0,0]=4 551 B8R1.34 O=C(O)CC1CNC1 AMY33688 [0,1,0,1,0,0|2,0,0]=4 552 B8R1.34 O=C(O)CC1CNC1 AMY38757 [0,1,0,1,0,0|2,0,0]=4 553 B8R1.34 O=C(O)CC1COC1 AMY19671 [0,1,0,1,0,0|2,0,0]=4 554 B8R1.34 O=C(O)CN1CCC1 AMY21704 [0,1,0,1,0,0|1,0,0]=3 555 B8R1.40 COC(=O)CC1CC1 AMY34208 [0,1,0,1,0,0|2,0,0]=4 556 B8R1.56 NS(=O)(=O)CC1CC1 AMY7736 [0,1,0,1,0,0|2,0,0]=4 557 B8R1.54 N[C@H](C(=O)O)C1CC1 AM803956 [0,1,0,1,0,0|2,0,0]=4 558 B8R1.54 N[C@H](C(=O)O)C1CC1 AMY14385 [0,1,0,1,0,0|2,0,0]=4 559 B8R1.54 N[C@H](C(=O)O)C1CC1 AMY36516 [0,1,0,1,0,0|2,0,0]=4 560 B8R0.28 CC(C)=CCNC(=N)N AMY36795 [0,0,0,0,0,2|2,0,0]=4 561 B8R0.28 CC(C)COCC(=O)O AM85004 [0,0,0,0,0,2|2,0,0]=4 562 B8R0.28 CN(C)CCCC(=O)O AMY31363 [0,0,0,0,0,2|1,0,0]=3 563 B8R0.28 CN(C)C\C=C\C(=O)Cl AMY14966 [0,0,0,0,0,2|1,0,0]=3 564 B8R0.28 CN(C)C\C=C\C(=O)O AM20120398 [0,0,0,0,0,2|1,0,0]=3