0 B7R0.6 CC(=O)NNC(C)C F19849 [0,0,0,0,0,0|2,0,0]=2 1 B7R0.6 CC(=O)ON=C(C)C F19954 [0,0,0,0,0,0|1,0,1]=2 2 B7R0.6 CC(C)=CCC(=O)O 24307 [0,0,0,0,0,0|2,0,2]=4 3 B7R0.6 CC(C)CC[N+](=O)[O-] AC1797 [0,0,0,0,0,0|3,0,0]=3 4 B7R0.6 C[C@H](Cl)CCC(=O)Cl W17602 [0,0,0,0,0,0|3,0,0]=3 5 B7R0.6 C[C@H](O)CCC(=O)[O-] AC8853 [0,0,0,0,0,0|3,0,0]=3 6 B7R0.6 C[C@H](O)CC[C@H](C)O F17009 [0,0,0,0,0,0|2,0,2]=4 7 B7R0.6 C[S+](C)CCC(=O)O T70554 [0,0,0,0,0,0|3,0,0]=3 8 B6R0.4 C#CCNC(C)=O 78861 [1,0,0,0,0,0|1,0,2]=4 9 B6R0.4 C#CCOC(N)=O 79516 [1,0,0,0,0,0|1,0,2]=4 10 B6R0.4 C=C(C)CCCBr 71968 [1,0,0,0,0,0|3,0,0]=4 11 B6R0.4 CC(=O)CCC=O P17049 [1,0,0,0,0,0|2,0,1]=4 12 B6R0.4 CC(=O)CCCBr 25631 [1,0,0,0,0,0|2,0,0]=3 13 B6R0.4 CC(=O)OCCN W11955 [1,0,0,0,0,0|1,0,0]=2 14 B6R0.4 CC(C)CCC=O 31143 [1,0,0,0,0,0|1,0,0]=2 15 B6R0.4 CC(C)OCCBr 33996 [1,0,0,0,0,0|2,0,1]=4 16 B6R0.4 CC(C)OCCN T71353 [1,0,0,0,0,0|2,0,1]=4 17 B6R0.4 CCOCC(=O)O D73862 [1,0,0,0,0,0|3,0,0]=4 18 B6R0.4 CCOC[C@H](C)N 75202 [1,0,0,0,0,0|1,0,1]=3 19 B6R0.4 NC(=O)OCCO A11395 [1,0,0,0,0,0|2,0,0]=3 20 B6R0.4 NCCCC(N)=O C72206 [1,0,0,0,0,0|3,0,0]=4 21 B8R0.9 CC(C)CC\C(N)=N/O W10718 [0,1,0,0,0,0|2,0,1]=4 22 B8R0.9 CC[C@H](C)COC(=O)Cl AC1638 [0,1,0,0,0,0|1,0,0]=2 23 B8R0.9 CC[C@H](Cl)CCC(=O)Cl AC1939 [0,1,0,0,0,0|3,0,0]=4 24 B8R0.9 CN(C)CCC(=O)NN AC8035 [0,1,0,0,0,0|3,0,0]=4 25 B8R0.9 NC[C@@H](N)CCC(=O)O AT25325 [0,1,0,0,0,0|3,0,0]=4 26 B8R0.23 C=C(CC(C)C)C(C)=O H11904 [0,1,0,0,0,0|1,0,0]=2 27 B8R0.23 CC(=O)C(=O)OC(C)C C11673 [0,1,0,0,0,0|2,0,0]=3 28 B8R0.23 CC(=O)O[C@@H](C)C(=O)O T70471 [0,1,0,0,0,0|2,0,1]=4 29 B8R0.23 CC(=O)O[C@@H](C)C(C)=O H10680 [0,1,0,0,0,0|1,0,1]=3 30 B8R0.23 CC(C)C[C@H]([15NH2])C(=O)O 41453 [0,1,0,0,0,0|2,0,0]=3 31 B8R0.23 CC(C)N(C)CC(=O)O 71944 [0,1,0,0,0,0|3,0,0]=4 32 B8R0.23 CC(C)[C@@H](N)CC(=O)O 29560 [0,1,0,0,0,0|2,0,0]=3 33 B8R0.23 CC(C)[C@@H](N)CC(=O)O 62353 [0,1,0,0,0,0|2,0,0]=3 34 B8R0.23 CN(C)C[C@H](N)C(=O)O F19964 [0,1,0,0,0,0|3,0,0]=4 35 B8R0.29 CC(=O)OC[B-](F)(F)F T73059 [0,1,0,0,0,0|3,0,0]=4 36 B8R0.29 CC(=O)ONC(C)(C)C 77604 [0,1,0,0,0,0|1,0,0]=2 37 B8R0.29 CC(C)(N)CNC(N)=O 46044 [0,1,0,0,0,0|2,0,0]=3 38 B8R0.29 CC(C)(S)CCC(=O)O P19032 [0,1,0,0,0,0|2,0,0]=3 39 B8R0.29 CC(C)=CCC(C)(C)C D93076 [0,1,0,0,0,0|2,0,0]=3 40 B8R0.29 CC(C)COC(C)(C)C A10962 [0,1,0,0,0,0|1,0,1]=3 41 B8R0.29 CC(C)COS(C)(=O)=O A12119 [0,1,0,0,0,0|1,0,0]=2 42 B8R0.29 CC(C)NCC(C)(C)N C11974 [0,1,0,0,0,0|2,0,1]=4 43 B8R0.29 CN(C)CCC(C)(C)N C90168 [0,1,0,0,0,0|3,0,0]=4 44 B8R1.3 CC1CCC(O)CC1 D73186 [0,0,0,1,0,0|1,0,2]=4 45 B8R1.3 CN1CC=C(Br)CC1 CS3354 [0,0,0,1,0,0|3,0,0]=4 46 B8R1.3 C[C@@H]1C=CC(=O)CC1 P17313 [0,0,0,1,0,0|1,0,1]=3 47 B8R1.3 C[C@H]1CCC(=O)NC1 P11593 [0,0,0,1,0,0|1,0,0]=2 48 B8R1.3 C[C@H]1CC[C@H](O)CC1 A12839 [0,0,0,1,0,0|1,0,2]=4 49 B8R1.3 C[C@H]1CNC(=O)CN1 P15845 [0,0,0,1,0,0|2,0,0]=3 50 B8R1.3 C[C@H]1CNC(=O)CN1 P17730 [0,0,0,1,0,0|2,0,0]=3 51 B8R1.3 C[C@H]1CNC(=O)CN1 P18573 [0,0,0,1,0,0|2,0,0]=3 52 B8R1.3 C[C@H]1CNC(=O)CO1 AC2156 [0,0,0,1,0,0|2,0,0]=3 53 B8R1.3 C[C@H]1CO[C@@H](C)CN1 C15026 [0,0,0,1,0,0|2,0,1]=4 54 B8R1.3 N[C@H]1CCC(=O)NC1 37582 [0,0,0,1,0,0|2,0,0]=3 55 B8R1.3 N[C@H]1CCC(=O)NC1 D95207 [0,0,0,1,0,0|2,0,0]=3 56 B8R1.3 N[C@H]1CCC(=O)NC1 P10248 [0,0,0,1,0,0|2,0,0]=3 57 B8R1.3 O=C1CCC(=O)OC1 P20160 [0,0,0,1,0,0|1,0,1]=3 58 B8R1.3 O=C1CCC(F)CC1 23163 [0,0,0,1,0,0|2,0,0]=3 59 B8R1.3 O=C1CC[C@H](F)CN1 P20230 [0,0,0,1,0,0|2,0,0]=3 60 B8R1.3 O=C1CC[C@H](O)CN1 62219 [0,0,0,1,0,0|2,0,0]=3 61 B8R1.3 O=C1CC[C@H](O)CO1 F13840 [0,0,0,1,0,0|1,0,0]=2 62 B8R1.3 O=C1NCC(O)CN1 D82915 [0,0,0,1,0,0|3,0,0]=4 63 B8R1.23 CC(=O)N1CC(=O)C1 D96529 [0,0,0,1,0,0|2,0,1]=4 64 B8R1.23 CC(C)[C@@H]1CC(=O)N1 P18338 [0,0,0,1,0,0|1,0,0]=2 65 B8R1.23 NC1CC(C(=O)O)C1 38020 [0,0,0,1,0,0|3,0,0]=4 66 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 26939 [0,0,0,1,0,0|3,0,0]=4 67 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 36354 [0,0,0,1,0,0|3,0,0]=4 68 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 37102 [0,0,0,1,0,0|3,0,0]=4 69 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 P10391 [0,0,0,1,0,0|3,0,0]=4 70 B8R1.23 O=C(O)C1CC(Br)C1 D79265 [0,0,0,1,0,0|3,0,0]=4 71 B8R1.23 O=C(O)C1CC(F)C1 37218 [0,0,0,1,0,0|3,0,0]=4 72 B8R1.23 O=C(O)[C@H]1C[C@H](Br)C1 D79072 [0,0,0,1,0,0|3,0,0]=4 73 B8R1.23 O=C(O)[C@H]1C[C@H](Cl)C1 P15601 [0,0,0,1,0,0|3,0,0]=4 74 B8R1.23 O=C1CC(C(F)F)C1 W13841 [0,0,0,1,0,0|3,0,0]=4 75 B8R1.35 CC(C)CNC1CC1 AC2517 [0,0,0,1,0,0|2,0,1]=4 76 B8R1.35 O=C(O)CNC1CC1 F14996 [0,0,0,1,0,0|3,0,0]=4 77 B8R1.35 O=C(O)CNC1CC1 W15242 [0,0,0,1,0,0|3,0,0]=4 78 B8R1.51 CC1(C)C=CC(=O)C1 S10959 [0,0,0,1,0,0|1,0,1]=3 79 B8R1.51 CC1(C)CCC(=O)C1 55299 [0,0,0,1,0,0|1,0,0]=2 80 B8R1.51 CC1(C)CCC(=O)N1 30720 [0,0,0,1,0,0|2,0,0]=3 81 B8R1.51 CC1(C)CCC(=O)O1 48435 [0,0,0,1,0,0|2,0,0]=3 82 B8R1.51 CC1(C)CC[C@H](N)C1 P16857 [0,0,0,1,0,0|2,0,1]=4 83 B8R1.51 CC1(C)CN=C(N)C1 D79278 [0,0,0,1,0,0|2,0,0]=3 84 B8R1.51 CC1(C)CNC(=O)O1 90053 [0,0,0,1,0,0|2,0,0]=3 85 B8R1.51 CC1(C)COC(=O)C1 82056 [0,0,0,1,0,0|0,0,0]=1 86 B8R1.51 CC1(C)COC(=O)N1 38028 [0,0,0,1,0,0|1,0,0]=2 87 B8R1.51 CC1(C)COC(=S)N1 24281 [0,0,0,1,0,0|1,1,0]=3 88 B8R1.51 C[C@@]1(O)CNC(=O)C1 F18103 [0,0,0,1,0,0|2,0,0]=3 89 B8R1.51 C[C@H]1COS(=O)(=O)O1 Y11245 [0,0,0,1,0,0|3,0,0]=4 90 B6R0.2 CC(=O)CC(=O)[O-] T70807 [0,0,0,0,1,0|2,0,1]=4 91 B6R0.2 CC(=O)\C=C(\C)[O-] F16607 [0,0,0,0,1,0|1,0,2]=4 92 B6R0.2 CC(=O)\C=C(\C)[O-] T70322 [0,0,0,0,1,0|1,0,2]=4 93 B6R0.2 CC(=O)\C=C(\C)[O-] T71766 [0,0,0,0,1,0|1,0,2]=4 94 B6R0.2 CC(=O)\C=C(\C)[O-] T71857 [0,0,0,0,1,0|1,0,2]=4 95 B6R0.2 CC(Br)CC(C)Br T70499 [0,0,0,0,1,0|2,0,1]=4 96 B6R0.2 CC(C)CC(N)=O C75541 [0,0,0,0,1,0|1,0,0]=2 97 B6R0.2 CC(C)NC(N)=O 44261 [0,0,0,0,1,0|2,0,0]=3 98 B6R0.2 C[C@H](N)CN(C)C 76720 [0,0,0,0,1,0|2,0,1]=4 99 B6R0.2 C[C@H](O)CC(=O)O C10552 [0,0,0,0,1,0|2,0,0]=3 100 B6R0.2 C[C@H](O)CN(C)C A11394 [0,0,0,0,1,0|1,0,2]=4 101 B8R0.28 CC(=O)NCCC(C)C S10520 [0,0,0,0,0,1|1,0,0]=2 102 B8R0.28 CC(=O)OCCC(=O)O C77559 [0,0,0,0,0,1|2,0,1]=4 103 B8R0.28 CC(C)=CCCC(=O)O F16793 [0,0,0,0,0,1|2,0,1]=4 104 B8R0.28 CC(C)CNCC(=O)O W10796 [0,0,0,0,0,1|2,0,0]=3 105 B8R0.28 CC(C)OCOC(C)C D93413 [0,0,0,0,0,1|1,0,1]=3 106 B5R0.1 C=CC[C@H](C)O 71459 [2,0,0,0,0,0|1,0,1]=4 107 B5R0.1 C=CC[C@H](C)O A12634 [2,0,0,0,0,0|1,0,1]=4 108 B5R0.1 CCC[C@H](C)N P14575 [2,0,0,0,0,0|1,0,1]=4 109 B5R0.1 CCC[C@H](C)N Y10887 [2,0,0,0,0,0|1,0,1]=4 110 B5R0.1 CCOC(N)=S A11227 [2,0,0,0,0,0|1,1,0]=4 111 B5R0.1 CN(C)CC=O D88083 [2,0,0,0,0,0|1,0,0]=3 112 B5R0.1 CNCC(=O)[O-] F20742 [2,0,0,0,0,0|2,0,0]=4 113 B5R0.1 CNC[C@H](C)O AC1157 [2,0,0,0,0,0|2,0,0]=4 114 B5R0.1 CNC[C@H](C)O N12528 [2,0,0,0,0,0|2,0,0]=4 115 B5R0.1 COC[C@H](C)Br 78860 [2,0,0,0,0,0|1,0,0]=3 116 B5R0.1 COC[C@H](C)N 25526 [2,0,0,0,0,0|1,0,0]=3 117 B5R0.1 COC[C@H](C)N D95458 [2,0,0,0,0,0|1,0,0]=3 118 B5R0.1 COC[C@H](C)N W17998 [2,0,0,0,0,0|1,0,0]=3 119 B5R0.1 C[C@H](O)CON O10313 [2,0,0,0,0,0|2,0,0]=4 120 B5R0.2 CNOCCN D97505 [2,0,0,0,0,0|2,0,0]=4 121 B5R0.2 O=CCCCO 55817 [2,0,0,0,0,0|2,0,0]=4 122 B7R0.2 C=C[C@@H](O)CC(C)C A12558 [1,1,0,0,0,0|1,0,1]=4 123 B7R0.2 CC(C)CN(C)N=O D93466 [1,1,0,0,0,0|2,0,0]=4 124 B7R0.2 CC[C@H](C)CC(=O)O 63986 [1,1,0,0,0,0|2,0,0]=4 125 B7R0.2 CC[C@H](C)CC(C)=O A11862 [1,1,0,0,0,0|1,0,0]=3 126 B7R0.2 CC[C@H](N)CC(=O)O 51922 [1,1,0,0,0,0|2,0,0]=4 127 B7R0.2 CC[C@H](N)CC(=O)O 52000 [1,1,0,0,0,0|2,0,0]=4 128 B7R0.2 CC[C@H](O)CC(=O)O C14017 [1,1,0,0,0,0|2,0,0]=4 129 B7R0.3 C=C(CCl)OCOC P10081 [1,1,0,0,0,0|2,0,0]=4 130 B7R0.3 C=CC(=O)NCCC AB9941 [1,1,0,0,0,0|1,0,1]=4 131 B7R0.3 CCC(=O)OCCO A11774 [1,1,0,0,0,0|1,0,0]=3 132 B7R0.3 CNCCC(=O)OC AB11809 [1,1,0,0,0,0|2,0,0]=4 133 B7R0.3 COC(=O)CCCI F19766 [1,1,0,0,0,0|2,0,0]=4 134 B7R0.4 CC(=O)CCCCBr O11558 [1,1,0,0,0,0|1,0,0]=3 135 B7R0.4 CC(=O)OCCCBr C75766 [1,1,0,0,0,0|0,0,0]=2 136 B7R0.4 CC(C)CCCCBr C74820 [1,1,0,0,0,0|1,0,1]=4 137 B7R0.4 CCCNCC(C)C AC1640 [1,1,0,0,0,0|1,0,1]=4 138 B7R0.4 CCCOCC(=O)O AC1647 [1,1,0,0,0,0|1,0,0]=3 139 B7R0.4 CCNCCC(N)=O AT24732 [1,1,0,0,0,0|2,0,0]=4 140 B7R0.4 CNCCCC(N)=O 21232 [1,1,0,0,0,0|2,0,0]=4 141 B7R0.4 COCCCC(=O)O 78063 [1,1,0,0,0,0|2,0,0]=4 142 B7R0.4 O=C([O-])COCCO A11454 [1,1,0,0,0,0|2,0,0]=4 143 B7R0.5 CC(=O)[C@@H](Cl)CCO 74627 [1,1,0,0,0,0|2,0,0]=4 144 B7R0.5 CCC[C@H](O)C(=O)O 77792 [1,1,0,0,0,0|2,0,0]=4 145 B7R0.9 CC(C)OC(C)(C)C A10887 [0,1,0,0,1,0|1,0,1]=4 146 B7R0.9 C[N+](C)(C)CC(=O)O D85123 [0,1,0,0,1,0|2,0,0]=4 147 B7R0.16 CC(=O)C(N)C(C)=O F17513 [0,1,0,0,1,0|1,0,1]=4 148 B7R0.16 CC(C)[C@H](C)C(=O)O F17074 [0,1,0,0,1,0|1,0,0]=3 149 B7R0.16 CC(C)[C@H](C)C(=O)O I11272 [0,1,0,0,1,0|1,0,0]=3 150 B7R0.16 CC(C)[C@H](N)C(N)=O AC1523 [0,1,0,0,1,0|1,0,0]=3 151 B7R0.16 C[C@@H](C(=O)O)N(C)C FD21039 [0,1,0,0,1,0|2,0,0]=4 152 B7R0.16 C[C@@H](C(=O)O)N(C)C FD21040 [0,1,0,0,1,0|2,0,0]=4 153 B7R0.16 C[C@H](O)[C@H](N)C(=O)O T70290 [0,1,0,0,1,0|2,0,0]=4 154 B9R0.1 COC(=O)\C=C\CN(C)C D70009 [0,1,0,0,0,1|2,0,0]=4 155 B9R0.7 C=C(C)C(=O)OC[C@H](C)O D93082 [0,1,0,0,0,1|2,0,0]=4 156 B9R0.7 CC(C)CNC(=O)C(=O)O W18577 [0,1,0,0,0,1|2,0,0]=4 157 B9R0.53 CC(C)C[C@H](N)CC(=O)O F12354 [0,1,0,0,0,1|2,0,0]=4 158 B9R0.56 CC(=O)OCC[N+](C)(C)C C74167 [0,1,0,0,0,1|1,0,0]=3 159 B9R0.56 CC(=O)SCC[Si](C)(C)C 74845 [0,1,0,0,0,1|0,2,0]=4 160 B9R0.21 COC(=O)OCC(F)(F)F A10604 [0,2,0,0,0,0|2,0,0]=4 161 B9R0.23 C=C(CC(C)C)C(=O)OC W19515 [0,2,0,0,0,0|1,0,0]=3 162 B9R0.23 CC[C@@H](C)[C@@H](N)CC(=O)O F12353 [0,2,0,0,0,0|2,0,0]=4 163 B9R0.23 CC[C@@H](C)[C@@H](N)CC(=O)O FD10188 [0,2,0,0,0,0|2,0,0]=4 164 B9R0.23 COC(=O)C(=O)CC(C)C 29859 [0,2,0,0,0,0|1,0,0]=3 165 B9R0.23 COC(=O)[C@@H](O)CC(C)C C13521 [0,2,0,0,0,0|1,0,0]=3 166 B9R0.24 COC(C)COC(C)CO D81108 [0,2,0,0,0,0|0,0,2]=4 167 B9R0.24 O=C(CS)OC[C@@H](O)CO H10926 [0,2,0,0,0,0|1,0,0]=3 168 B9R0.43 CCC(CC)COC(=O)Cl S11052 [0,2,0,0,0,0|1,0,0]=3 169 B9R0.48 CC(C)CNC(=O)CCN D86301 [0,2,0,0,0,0|1,0,0]=3 170 B9R0.48 CCOC(=O)CC[C@H](C)Br C77584 [0,2,0,0,0,0|2,0,0]=4 171 B9R0.48 CCOC(=O)OCC(C)C A12452 [0,2,0,0,0,0|0,0,0]=2 172 B9R0.11 CC(C)C[C@](C)(N)C(=O)O FD21918 [0,2,0,0,0,0|2,0,0]=4 173 B9R0.57 CC(C)(C)C[C@H](N)C(=O)O 51152 [0,2,0,0,0,0|2,0,0]=4 174 B9R0.79 CC(C)C(O)C(N)C(=O)O 25811 [0,2,0,0,0,0|2,0,0]=4 175 B9R0.79 CC(C)[C@@H](O)[C@H](N)C(=O)O 62256 [0,2,0,0,0,0|2,0,0]=4 176 B7R1.2 CN1CCC(=O)C1 64220 [1,0,0,1,0,0|2,0,0]=4 177 B7R1.2 C[C@@H]1CNC(=O)C1 P17327 [1,0,0,1,0,0|1,0,0]=3 178 B7R1.2 C[C@H]1CCC(=O)N1 P20894 [1,0,0,1,0,0|2,0,0]=4 179 B7R1.2 C[C@H]1CCC(=O)N1 P20895 [1,0,0,1,0,0|2,0,0]=4 180 B7R1.2 C[C@H]1CNC(=O)O1 90054 [1,0,0,1,0,0|2,0,0]=4 181 B7R1.2 C[C@H]1COC(=O)N1 O10180 [1,0,0,1,0,0|1,0,0]=3 182 B7R1.2 C[C@H]1COC(=O)N1 W17357 [1,0,0,1,0,0|1,0,0]=3 183 B7R1.2 C[C@H]1COC(=O)O1 D77722 [1,0,0,1,0,0|1,0,0]=3 184 B7R1.2 N[C@@H]1CNC(=O)C1 N10626 [1,0,0,1,0,0|2,0,0]=4 185 B7R1.2 N[C@@H]1CNC(=O)C1 P12720 [1,0,0,1,0,0|2,0,0]=4 186 B7R1.2 N[C@@H]1COC(=O)C1 FD1175 [1,0,0,1,0,0|1,0,0]=3 187 B7R1.2 N[C@@H]1COC(=O)C1 W11179 [1,0,0,1,0,0|1,0,0]=3 188 B7R1.2 O=C1CC[C@H](O)C1 P13127 [1,0,0,1,0,0|2,0,0]=4 189 B7R1.2 O=C1C[C@H](O)CO1 12464 [1,0,0,1,0,0|1,0,0]=3 190 B7R1.3 C[C@H]1CCCNC1 36405 [1,0,0,1,0,0|1,0,1]=4 191 B7R1.3 C[C@H]1COCCN1 72593 [1,0,0,1,0,0|1,0,1]=4 192 B7R1.3 N[C@H]1CCCOC1 F10442 [1,0,0,1,0,0|1,0,1]=4 193 B7R1.3 O=C1CCCCS1 D95162 [1,0,0,1,0,0|0,1,0]=3 194 B7R1.3 O=C1CNCCO1 RB3226 [1,0,0,1,0,0|1,0,0]=3 195 B7R1.3 O=C1CSCCN1 23643 [1,0,0,1,0,0|2,0,0]=4 196 B7R1.3 O[C@H]1CCCOC1 P10754 [1,0,0,1,0,0|1,0,1]=4 197 B7R1.3 O[C@H]1CCCOC1 P10755 [1,0,0,1,0,0|1,0,1]=4 198 B7R1.10 CNC1CC(C)C1 72947 [1,0,0,1,0,0|2,0,0]=4 199 B7R1.10 COC1CC(=O)C1 P12741 [1,0,0,1,0,0|2,0,0]=4 200 B7R1.10 O=C1CC(CBr)C1 39031 [1,0,0,1,0,0|2,0,0]=4 201 B7R1.10 O=C1CC(CCl)C1 P11243 [1,0,0,1,0,0|2,0,0]=4 202 B7R1.10 O=C1C[C@H](CO)N1 P17668 [1,0,0,1,0,0|2,0,0]=4 203 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O P12613 [1,0,0,1,0,0|2,0,0]=4 204 B7R1.12 C[C@H]1C[C@@H]1C(=O)O 72828 [1,0,0,1,0,0|2,0,0]=4 205 B7R1.14 CC1(C)CCNC1 28371 [1,0,0,1,0,0|1,0,1]=4 206 B7R1.14 CC1(C)COCN1 FD10630 [1,0,0,1,0,0|1,0,1]=4 207 B7R1.14 C[C@]1(N)CCOC1 38927 [1,0,0,1,0,0|1,0,1]=4 208 B7R1.14 C[C@]1(O)CCOC1 69114 [1,0,0,1,0,0|1,0,1]=4 209 B7R1.14 O=S1(=O)CCCO1 D77717 [1,0,0,1,0,0|2,0,0]=4 210 B7R1.18 CC(=O)C1COC1 79962 [1,0,0,1,0,0|2,0,0]=4 211 B7R1.18 CC(C)C1CNC1 D79219 [1,0,0,1,0,0|2,0,0]=4 212 B7R1.18 NC(=O)C1CCC1 20365 [1,0,0,1,0,0|2,0,0]=4 213 B7R1.20 O=C(Cl)CC1CC1 P19146 [1,0,0,1,0,0|2,0,0]=4 214 B7R1.16 CC1(C)CC(=O)C1 P13045 [0,0,0,1,1,0|0,0,0]=2 215 B7R1.16 CC1(C)CC(=O)N1 D72853 [0,0,0,1,1,0|1,0,0]=3 216 B7R1.16 CC1(C)CC(N)C1 P15356 [0,0,0,1,1,0|1,0,1]=4 217 B7R1.16 CC1(C)CC(O)C1 P16551 [0,0,0,1,1,0|0,0,2]=4 218 B7R1.16 CC1(N)CC(=O)C1 P17533 [0,0,0,1,1,0|1,0,0]=3 219 B7R1.16 O=C1CC(F)(F)C1 38849 [0,0,0,1,1,0|2,0,0]=4 220 B9R1.35 CC(=O)N1CC[C@H](N)C1 AT25019 [0,0,0,1,0,1|2,0,0]=4 221 B9R1.35 CC(C)C1=NNC(=O)C1 W16000 [0,0,0,1,0,1|1,0,1]=4 222 B9R1.35 CC(C)[C@@H]1CCC(=O)N1 AT19193 [0,0,0,1,0,1|2,0,0]=4 223 B9R1.35 C[C@@H]1CN[C@H](C(=O)O)C1 63832 [0,0,0,1,0,1|2,0,0]=4 224 B9R1.35 C[C@@H]1CN[C@H](C(=O)O)C1 63834 [0,0,0,1,0,1|2,0,0]=4 225 B9R1.49 CN1CCNC(=O)CC1 Y10078 [0,0,0,1,0,1|2,0,0]=4 226 B9R1.53 CC(=O)NC1CC(N)C1 P11362 [0,0,0,1,0,1|2,0,0]=4 227 B9R1.53 CC(=O)NC1CC(N)C1 P18507 [0,0,0,1,0,1|2,0,0]=4 228 B9R1.53 CC(=O)OC1CC(=O)C1 38846 [0,0,0,1,0,1|1,0,1]=4 229 B9R1.53 CC1CC(CC(=O)O)C1 D79064 [0,0,0,1,0,1|2,0,0]=4 230 B9R1.66 CC1(C)CCCC(=O)N1 W17371 [0,0,0,1,0,1|2,0,0]=4 231 B9R1.66 CC1(C)CNCC(=O)N1 C91375 [0,0,0,1,0,1|2,0,0]=4 232 B9R1.166 CC1(C)CN[C@@H]1C(=O)O P15974 [0,0,0,1,0,1|2,0,0]=4 233 B9R1.1 C=C1CCC(CO)CC1 F13032 [0,1,0,1,0,0|2,0,0]=4 234 B9R1.1 CON1CCC(=O)CC1 92073 [0,1,0,1,0,0|2,0,0]=4 235 B9R1.1 NCC1CCC(=O)CC1 56684 [0,1,0,1,0,0|1,0,0]=3 236 B9R1.1 NC[C@H]1CCC(=O)NC1 37820 [0,1,0,1,0,0|1,0,0]=3 237 B9R1.1 NC[C@H]1CNC(=O)CO1 W10861 [0,1,0,1,0,0|2,0,0]=4 238 B9R1.1 O=C1CC[C@H](CO)CN1 C72773 [0,1,0,1,0,0|1,0,0]=3 239 B9R1.1 O=C1CN[C@@H](CF)CN1 D97270 [0,1,0,1,0,0|2,0,0]=4 240 B9R1.1 O=C1CO[C@@H](CO)CN1 AB7325 [0,1,0,1,0,0|2,0,0]=4 241 B9R1.1 O=C1CO[C@@H](CO)CN1 P10704 [0,1,0,1,0,0|2,0,0]=4 242 B9R1.1 O=C1CO[C@@H](CO)CN1 P10705 [0,1,0,1,0,0|2,0,0]=4 243 B9R1.1 O=CC1CCC(=O)CC1 C77323 [0,1,0,1,0,0|1,0,1]=4 244 B9R1.10 CC1(C)CNC(=O)CN1 P16103 [0,1,0,1,0,0|1,0,0]=3 245 B9R1.10 CC1(O)CCC(=O)CC1 F13738 [0,1,0,1,0,0|1,0,0]=3 246 B9R1.10 O=C1CCC(F)(F)CN1 P12393 [0,1,0,1,0,0|2,0,0]=4 247 B9R1.67 CC(=O)O[C@H]1CCC1=O P20079 [0,1,0,1,0,0|1,0,1]=4 248 B9R1.69 CC1CC(=O)CCC1O Y10041 [0,1,0,1,0,0|2,0,0]=4 249 B9R1.69 CC1CCC(C)C(=O)C1 T71472 [0,1,0,1,0,0|1,0,1]=4 250 B9R1.69 CN1C[C@@H](N)CCC1=O 32330 [0,1,0,1,0,0|2,0,0]=4 251 B9R1.69 CN1C[C@@H](N)CCC1=O 37583 [0,1,0,1,0,0|2,0,0]=4 252 B9R1.69 C[C@H]1CCC(=O)NC1=O W17200 [0,1,0,1,0,0|1,0,1]=4 253 B9R1.69 C[C@H]1CN(C)C(=O)CN1 P10820 [0,1,0,1,0,0|2,0,0]=4 254 B9R1.69 C[C@H]1CN(C)C(=O)CN1 P17891 [0,1,0,1,0,0|2,0,0]=4 255 B9R1.69 C[C@H]1CN(C)C(=O)CN1 P17892 [0,1,0,1,0,0|2,0,0]=4 256 B9R1.80 COC(=O)C#CC1CC1 W15222 [0,1,0,1,0,0|1,0,1]=4 257 B9R1.80 COC(=O)\C=C\C1CC1 89072 [0,1,0,1,0,0|1,0,1]=4 258 B9R1.82 COC(=O)C1CC(Br)C1 38009 [0,1,0,1,0,0|2,0,0]=4 259 B9R1.82 COC(=O)C1CC(C)C1 84766 [0,1,0,1,0,0|1,0,0]=3 260 B9R1.82 COC(=O)C1CC(F)C1 P19700 [0,1,0,1,0,0|2,0,0]=4 261 B9R1.82 COC(=O)C1CC(N)C1 FD7142 [0,1,0,1,0,0|2,0,0]=4 262 B9R1.82 COC(=O)[C@H]1C[C@H](O)C1 38534 [0,1,0,1,0,0|2,0,0]=4 263 B9R1.82 O=C(CCl)N1CC(O)C1 P18784 [0,1,0,1,0,0|2,0,0]=4 264 B9R1.84 O=C(O)CCC1CCC1 86885 [0,1,0,1,0,0|2,0,0]=4 265 B9R1.86 CCC1CC1CC(=O)O D79896 [0,1,0,1,0,0|2,0,0]=4 266 B9R1.95 C#CC1CN(C(C)=O)C1 P21073 [0,1,0,1,0,0|1,0,1]=4 267 B9R1.95 CC(=O)N1CC(CO)C1 21091 [0,1,0,1,0,0|1,0,0]=3 268 B9R1.95 CCC1CC(C(=O)O)C1 20648 [0,1,0,1,0,0|2,0,0]=4 269 B9R1.95 COC1CC(C(=O)O)C1 P10644 [0,1,0,1,0,0|2,0,0]=4 270 B9R1.95 CO[C@H]1C[C@@H](C(=O)O)C1 38899 [0,1,0,1,0,0|2,0,0]=4 271 B9R1.95 CO[C@H]1C[C@H](C(=O)O)C1 38900 [0,1,0,1,0,0|2,0,0]=4 272 B9R1.95 NCC1CC(C(=O)O)C1 86804 [0,1,0,1,0,0|2,0,0]=4 273 B9R1.95 O=C(O)C1CC(CBr)C1 D79069 [0,1,0,1,0,0|2,0,0]=4 274 B9R1.95 O=C(O)C1CC(CF)C1 D97099 [0,1,0,1,0,0|2,0,0]=4 275 B9R1.95 O=C(O)C1CC(CO)C1 70868 [0,1,0,1,0,0|2,0,0]=4 276 B9R1.133 CC1(C)C[C@H](CN)CO1 P18822 [0,1,0,1,0,0|1,0,1]=4 277 B9R1.38 CC1(C)CC(=O)NC1=O AB9146 [0,1,0,1,0,0|1,0,1]=4 278 B9R1.112 NC(=O)[C@@H](N)CC1CC1 P18029 [0,1,0,1,0,0|2,0,0]=4 279 B9R1.112 N[C@@H](CC1CC1)C(=O)O 51303 [0,1,0,1,0,0|2,0,0]=4 280 B9R1.112 N[C@@H](CC1CC1)C(=O)O 67427 [0,1,0,1,0,0|2,0,0]=4 281 B9R1.164 CC(=O)C1CC(F)(F)C1 P15881 [0,1,0,1,0,0|2,0,0]=4 282 B9R1.164 CC1(C)C=C(C(=O)O)C1 37683 [0,1,0,1,0,0|2,0,0]=4 283 B9R1.164 CC1(C)CC(C(=O)O)C1 59979 [0,1,0,1,0,0|2,0,0]=4 284 B9R1.164 CC1(F)CC(C(=O)O)C1 P15017 [0,1,0,1,0,0|2,0,0]=4 285 B9R1.164 C[C@]1(F)C[C@H](C(=O)O)C1 91898 [0,1,0,1,0,0|2,0,0]=4 286 B9R1.164 C[C@]1(O)C[C@@H](C(=O)O)C1 P13567 [0,1,0,1,0,0|2,0,0]=4 287 B9R1.51 CC(C)(C)C1CC(=O)C1 P17616 [0,1,0,1,0,0|1,0,0]=3 288 B9R1.146 CC1(C)COC(C)(C)C1 D93046 [0,1,0,1,0,0|1,0,1]=4 289 B9R2.41 O=C1CC(C2CC2)C1 33761 [0,0,0,2,0,0|1,0,0]=3 290 B9R2.145 O=C(O)C12CC(C1)C2 P12599 [0,0,0,2,0,0|2,0,0]=4 291 B9R2.139 O=C1CC2(CC2)CO1 P17493 [0,0,0,2,0,0|0,0,0]=2 292 B9R2.139 O=C1CCC2(CC2)N1 80157 [0,0,0,2,0,0|2,0,0]=4 293 B9R2.139 O=C1NCC2(CC2)O1 AT13765 [0,0,0,2,0,0|2,0,0]=4 294 B9R2.143 O=C(O)[C@H]1CC12CC2 P10290 [0,0,0,2,0,0|2,0,0]=4 295 B5R0.5 CC(=O)[C@H](C)N D76571 [0,0,0,0,2,0|1,0,0]=3 296 B5R0.5 CC(=S)N(C)C 76921 [0,0,0,0,2,0|1,1,0]=4 297 B5R0.5 C[C@H](N)C(N)=O 25148 [0,0,0,0,2,0|2,0,0]=4 298 B9R0.55 CC(=O)CCCOC(C)=O D74850 [0,0,0,0,0,2|1,0,1]=4 299 B9R0.55 CC(C)CCCCC(=O)O D95053 [0,0,0,0,0,2|2,0,0]=4