0 B9R0.7 C=C(C)C(Cl)COC(C)=O Amb28137880 [0,0,0,0,0,0|3,0,0]=3 1 B9R0.7 C=C(C)C(N)CCC(=O)O Amb33199957 [0,0,0,0,0,0|4,0,0]=4 2 B9R0.7 C=C(C)C(O)COC(C)=O Amb27170291 [0,0,0,0,0,0|3,0,0]=3 3 B9R0.7 C=C(C)CCC(=C)C(=O)O Amb28047421 [0,0,0,0,0,0|3,0,1]=4 4 B9R0.7 C=C(C)CCC(C)C(=O)O Amb25809141 [0,0,0,0,0,0|3,0,0]=3 5 B9R0.7 C=C(C)CCC(C)C(C)=O Amb27753284 [0,0,0,0,0,0|4,0,0]=4 6 B9R0.7 C=C(C)CCC(N)C(=O)O Amb28121242 [0,0,0,0,0,0|2,0,0]=2 7 B9R0.7 C=C(C)CCC(N)C(N)=O Amb27188568 [0,0,0,0,0,0|3,0,0]=3 8 B9R0.7 C=C(C)CCC(O)C(=O)O Amb27436256 [0,0,0,0,0,0|3,0,0]=3 9 B9R0.7 C=C(C)CC[C@@H](N)C(=O)O Amb25775219 [0,0,0,0,0,0|2,0,0]=2 10 B9R0.7 C=C(C)CC[C@H](N)C(=O)O Amb25948355 [0,0,0,0,0,0|2,0,0]=2 11 B9R0.7 C=C(C)CSC(C)C(=O)O Amb6263518 [0,0,0,0,0,0|4,0,0]=4 12 B9R0.7 C=C(C)[C@@H](C)CCC(C)=O Amb24583145 [0,0,0,0,0,0|4,0,0]=4 13 B9R0.7 C=C(CCC(=O)O)C(=O)O Amb8391367 [0,0,0,0,0,0|3,0,1]=4 14 B9R0.7 C=C(CCC(C)=O)C(C)=O Amb25303019 [0,0,0,0,0,0|3,0,1]=4 15 B9R0.7 C=C(COC(C)=O)C(C)=O Amb25359020 [0,0,0,0,0,0|2,0,1]=3 16 B9R0.7 C=C(COC(C)C)C(=O)O Amb25958768 [0,0,0,0,0,0|2,0,2]=4 17 B9R0.7 C=C(Cl)CCC(N)C(=O)O Amb27424777 [0,0,0,0,0,0|2,0,1]=3 18 B9R0.7 C=C(F)C(N)CCC(=O)O Amb27849938 [0,0,0,0,0,0|4,0,0]=4 19 B9R0.7 CC(=N)SCC(Cl)C(N)=O Amb28245419 [0,0,0,0,0,0|3,1,0]=4 20 B9R0.7 CC(=O)C(Br)CC=C(C)C Amb27614912 [0,0,0,0,0,0|4,0,0]=4 21 B9R0.7 CC(=O)C(C)CCC(=O)O Amb4020917 [0,0,0,0,0,0|4,0,0]=4 22 B9R0.7 CC(=O)C(C)CCC(N)=O Amb25843826 [0,0,0,0,0,0|4,0,0]=4 23 B9R0.7 CC(=O)C(C)CCS(C)=O Amb27783563 [0,0,0,0,0,0|4,0,0]=4 24 B9R0.7 CC(=O)C(F)CC=C(C)C Amb27599420 [0,0,0,0,0,0|4,0,0]=4 25 B9R0.7 CC(=O)C(F)CCC(=O)O Amb27620074 [0,0,0,0,0,0|4,0,0]=4 26 B9R0.7 CC(=O)C(N)CCC(=O)O Amb27875288 [0,0,0,0,0,0|3,0,0]=3 27 B9R0.7 CC(=O)C(O)CCC(=O)O Amb27826305 [0,0,0,0,0,0|4,0,0]=4 28 B9R0.7 CC(=O)C(O)COC(C)C Amb28201134 [0,0,0,0,0,0|3,0,1]=4 29 B9R0.7 CC(=O)CCC(=O)C(C)=O Amb25852390 [0,0,0,0,0,0|3,0,1]=4 30 B9R0.7 CC(=O)CCC(C)C(C)O Amb27838958 [0,0,0,0,0,0|3,0,1]=4 31 B9R0.7 CC(=O)CCC(Cl)C(C)=O Amb27444965 [0,0,0,0,0,0|3,0,0]=3 32 B9R0.7 CC(=O)CCC(N)C(=O)O Amb20669473 [0,0,0,0,0,0|1,0,0]=1 33 B9R0.7 CC(=O)CCC(N)C(=O)O Amb22157242 [0,0,0,0,0,0|1,0,0]=1 34 B9R0.7 CC(=O)CCC(N)C(N)=O Amb26649117 [0,0,0,0,0,0|2,0,0]=2 35 B9R0.7 CC(=O)CC[C@@H](C)[C@@H](C)O Amb25984868 [0,0,0,0,0,0|3,0,1]=4 36 B9R0.7 CC(=O)CC[C@@H](N)C(=O)O Amb26516732 [0,0,0,0,0,0|1,0,0]=1 37 B9R0.7 CC(=O)CC[C@H](C)[C@@H](C)O Amb22747043 [0,0,0,0,0,0|3,0,1]=4 38 B9R0.7 CC(=O)CC[C@H](N)C(=O)O Amb25147501 [0,0,0,0,0,0|1,0,0]=1 39 B9R0.7 CC(=O)CNC(=O)C(=O)O Amb24480846 [0,0,0,0,0,0|3,0,1]=4 40 B9R0.7 CC(=O)CSC(C)C(=O)O Amb17501621 [0,0,0,0,0,0|3,0,0]=3 41 B9R0.7 CC(=O)CSC(C)C(N)=O Amb27949123 [0,0,0,0,0,0|4,0,0]=4 42 B9R0.7 CC(=O)NCC(C)S(C)=O Amb28137643 [0,0,0,0,0,0|4,0,0]=4 43 B9R0.7 CC(=O)NCC(N)C(=O)O Amb26046380 [0,0,0,0,0,0|1,0,0]=1 44 B9R0.7 CC(=O)NC[C@H](C)C(=O)O Amb27472985 [0,0,0,0,0,0|2,0,0]=2 45 B9R0.7 CC(=O)NOC(C)C(N)=O Amb28206966 [0,0,0,0,0,0|4,0,0]=4 46 B9R0.7 CC(=O)OCC(=O)C(C)=O Amb25094676 [0,0,0,0,0,0|2,0,1]=3 47 B9R0.7 CC(=O)OCC(C)C(=O)O Amb28050166 [0,0,0,0,0,0|1,0,0]=1 48 B9R0.7 CC(=O)OCC(C)C(C)=O Amb27471984 [0,0,0,0,0,0|2,0,0]=2 49 B9R0.7 CC(=O)OCC(N)C(=O)O Amb17593668 [0,0,0,0,0,0|0,0,0]=0 50 B9R0.7 CC(=O)OCC(N)C(C)C Amb27604557 [0,0,0,0,0,0|2,0,1]=3 51 B9R0.7 CC(=O)OC[C@@H](N)C(=O)O Amb2699176 [0,0,0,0,0,0|0,0,0]=0 52 B9R0.7 CC(=O)OC[C@@H]([NH3+])C(=O)O Amb3499386 [0,0,0,0,0,0|0,0,1]=1 53 B9R0.7 CC(=O)OC[C@H](Br)C(C)C Amb28186618 [0,0,0,0,0,0|3,0,1]=4 54 B9R0.7 CC(=O)OC[C@H](C)C(=O)O Amb28340504 [0,0,0,0,0,0|1,0,0]=1 55 B9R0.7 CC(=O)OC[C@H](C)C(C)=O Amb28049898 [0,0,0,0,0,0|2,0,0]=2 56 B9R0.7 CC(=O)OC[C@H](N)C(=O)O Amb2778750 [0,0,0,0,0,0|0,0,0]=0 57 B9R0.7 CC(=O)OC[C@H](N)C(=O)O Amb33757552 [0,0,0,0,0,0|0,0,0]=0 58 B9R0.7 CC(=O)OC[C@H](N)C(C)C Amb28401299 [0,0,0,0,0,0|2,0,1]=3 59 B9R0.7 CC(=O)ONC(C)C(=O)O Amb27765574 [0,0,0,0,0,0|2,0,0]=2 60 B9R0.7 CC(=O)O\C=C(\C)C(C)=O Amb25961809 [0,0,0,0,0,0|2,0,2]=4 61 B9R0.7 CC(=O)O\C=C(\F)C(=O)O Amb27236545 [0,0,0,0,0,0|1,0,2]=3 62 B9R0.7 CC(=O)O\N=C(/C)C(=O)O Amb27473311 [0,0,0,0,0,0|2,0,1]=3 63 B9R0.7 CC(=O)O\N=C(/Cl)C(N)=O Amb27658877 [0,0,0,0,0,0|3,0,1]=4 64 B9R0.7 CC(=O)SCC(C)C(=O)O Amb2732386 [0,0,0,0,0,0|1,1,0]=2 65 B9R0.7 CC(=O)SCC(C)C(N)=O Amb22586594 [0,0,0,0,0,0|2,1,0]=3 66 B9R0.7 CC(=O)SCC(Cl)C(=O)Cl Amb28247162 [0,0,0,0,0,0|2,1,0]=3 67 B9R0.7 CC(=O)SCC(N)C(=O)O Amb22490452 [0,0,0,0,0,0|0,1,0]=1 68 B9R0.7 CC(=O)SCC(O)C(=O)O Amb31030973 [0,0,0,0,0,0|1,1,0]=2 69 B9R0.7 CC(=O)SC[C@@H](C)C(=O)Cl Amb26641827 [0,0,0,0,0,0|2,1,0]=3 70 B9R0.7 CC(=O)SC[C@@H](C)C(=O)O Amb8628177 [0,0,0,0,0,0|1,1,0]=2 71 B9R0.7 CC(=O)SC[C@H](C)C(=O)Cl Amb25230202 [0,0,0,0,0,0|2,1,0]=3 72 B9R0.7 CC(=O)[C@H](C)CCC(=O)O Amb24671283 [0,0,0,0,0,0|4,0,0]=4 73 B9R0.7 CC(C)=CCC(C)C(=O)O Amb18643879 [0,0,0,0,0,0|3,0,0]=3 74 B9R0.7 CC(C)=CCC(N)C(=O)O Amb6276273 [0,0,0,0,0,0|2,0,0]=2 75 B9R0.7 CC(C)=CCC(N)C(N)=O Amb24697159 [0,0,0,0,0,0|3,0,0]=3 76 B9R0.7 CC(C)=CC[C@@H](N)C(=O)O Amb27254062 [0,0,0,0,0,0|2,0,0]=2 77 B9R0.7 CC(C)=CC[C@H](N)C(=O)O Amb25836895 [0,0,0,0,0,0|2,0,0]=2 78 B9R0.7 CC(C)=NOC(C)C(=O)O Amb9814220 [0,0,0,0,0,0|4,0,0]=4 79 B9R0.7 CC(C)=NO[C@H](C)C(=O)O Amb27831924 [0,0,0,0,0,0|4,0,0]=4 80 B9R0.7 CC(C)CCC(Br)C(=O)O Amb18131059 [0,0,0,0,0,0|3,0,1]=4 81 B9R0.7 CC(C)CCC(C)C(=O)O Amb19033547 [0,0,0,0,0,0|3,0,1]=4 82 B9R0.7 CC(C)CCC(F)C(=O)O Amb26612835 [0,0,0,0,0,0|3,0,1]=4 83 B9R0.7 CC(C)CCC(N)C(=O)Cl Amb27396445 [0,0,0,0,0,0|3,0,1]=4 84 B9R0.7 CC(C)CCC(N)C(=O)O Amb19269152 [0,0,0,0,0,0|2,0,1]=3 85 B9R0.7 CC(C)CCC(N)C(=O)O Amb6269218 [0,0,0,0,0,0|2,0,1]=3 86 B9R0.7 CC(C)CCC(N)C(N)=O Amb27424766 [0,0,0,0,0,0|3,0,1]=4 87 B9R0.7 CC(C)CCC(O)C(=O)O Amb27788603 [0,0,0,0,0,0|3,0,1]=4 88 B9R0.7 CC(C)CC[C@@H](C)C(=O)O Amb26983027 [0,0,0,0,0,0|3,0,1]=4 89 B9R0.7 CC(C)CC[C@@H](N)C(=O)O Amb19133196 [0,0,0,0,0,0|2,0,1]=3 90 B9R0.7 CC(C)CC[C@@H](N)C(=O)O Amb22899130 [0,0,0,0,0,0|2,0,1]=3 91 B9R0.7 CC(C)CC[C@H](C)C(=O)O Amb27227250 [0,0,0,0,0,0|3,0,1]=4 92 B9R0.7 CC(C)CC[C@H](N)C(=O)O Amb16183866 [0,0,0,0,0,0|2,0,1]=3 93 B9R0.7 CC(C)CC[C@H](N)C(=O)O Amb33339290 [0,0,0,0,0,0|2,0,1]=3 94 B9R0.7 CC(C)NCC(C)C(=O)O Amb9400283 [0,0,0,0,0,0|3,0,1]=4 95 B9R0.7 CC(C)NCC(N)C(N)=O Amb27812569 [0,0,0,0,0,0|3,0,1]=4 96 B9R0.7 CC(C)OCC(=O)C(=O)O Amb27620494 [0,0,0,0,0,0|2,0,2]=4 97 B9R0.7 CC(C)OCC(C)C(=O)O Amb26037515 [0,0,0,0,0,0|2,0,1]=3 98 B9R0.7 CC(C)OCC(Cl)C(=O)O Amb27770474 [0,0,0,0,0,0|2,0,1]=3 99 B9R0.7 CC(C)OCC(N)C(=O)O Amb25956723 [0,0,0,0,0,0|1,0,1]=2 100 B9R0.7 CC(C)OCC(N)C(=O)O Amb32665467 [0,0,0,0,0,0|1,0,1]=2 101 B9R0.7 CC(C)OCC(N)C(N)=O Amb25104507 [0,0,0,0,0,0|2,0,1]=3 102 B9R0.7 CC(C)OCC(O)C(=O)O Amb24583914 [0,0,0,0,0,0|2,0,1]=3 103 B9R0.7 CC(C)OC[C@@H](N)C(=O)O Amb24479342 [0,0,0,0,0,0|1,0,1]=2 104 B9R0.7 CC(C)OC[C@H](N)C(=O)O Amb26960408 [0,0,0,0,0,0|1,0,1]=2 105 B9R0.7 CC(C)OC[C@H](N)C(=O)O Amb32664966 [0,0,0,0,0,0|1,0,1]=2 106 B9R0.7 CC(C)OC[C@H](N)C(N)=O Amb27184033 [0,0,0,0,0,0|2,0,1]=3 107 B9R0.7 CC(C)SCC(N)C(=O)O Amb6273927 [0,0,0,0,0,0|1,1,1]=3 108 B9R0.7 CC(CCC(=O)O)C(=O)O Amb6296609 [0,0,0,0,0,0|3,0,0]=3 109 B9R0.7 CC(CCN(C)C)C(=O)O Amb26502003 [0,0,0,0,0,0|4,0,0]=4 110 B9R0.7 CC(CCN(C)C)C(=O)O Amb32675008 [0,0,0,0,0,0|4,0,0]=4 111 B9R0.7 CC(CCS(C)=O)C(=O)O Amb27237254 [0,0,0,0,0,0|3,0,0]=3 112 B9R0.7 CC(CC[N+](=O)[O-])C(=O)O Amb27425087 [0,0,0,0,0,0|4,0,0]=4 113 B9R0.7 CC(CNC(=N)N)C(=O)O Amb28050103 [0,0,0,0,0,0|4,0,0]=4 114 B9R0.7 CC(CNC(N)=O)C(=O)O Amb18298054 [0,0,0,0,0,0|3,0,0]=3 115 B9R0.7 CC(CNN(C)C)C(=O)O Amb27855116 [0,0,0,0,0,0|4,0,0]=4 116 B9R0.7 CC(CSC(=N)N)C(=O)O Amb27392409 [0,0,0,0,0,0|3,1,0]=4 117 B9R0.7 CC(N)CCC(O)C(=O)O Amb28436655 [0,0,0,0,0,0|3,0,1]=4 118 B9R0.7 CC(NCC(=O)O)C(=O)O Amb26506272 [0,0,0,0,0,0|4,0,0]=4 119 B9R0.7 CC(NCC(=O)O)C(=O)O Amb3427836 [0,0,0,0,0,0|4,0,0]=4 120 B9R0.7 CC(NNC(N)=O)C(=O)O Amb26391983 [0,0,0,0,0,0|4,0,0]=4 121 B9R0.7 CC(O)CCC(N)C(=O)O Amb26598749 [0,0,0,0,0,0|1,0,2]=3 122 B9R0.7 CC(O)CCC(N)C(N)=O Amb33036759 [0,0,0,0,0,0|2,0,2]=4 123 B9R0.7 CC(O)CC[C@@H](N)C(=O)O Amb28126862 [0,0,0,0,0,0|1,0,2]=3 124 B9R0.7 CC(O)CC[C@H](N)C(=O)O Amb26346481 [0,0,0,0,0,0|1,0,2]=3 125 B9R0.7 CC(O)NC[C@H](N)C(=O)O Amb24575047 [0,0,0,0,0,0|1,0,2]=3 126 B9R0.7 CC(O)OC[C@@H](N)C(=O)O Amb28348403 [0,0,0,0,0,0|0,0,2]=2 127 B9R0.7 CC(SCC(=O)O)C(=O)O Amb2431034 [0,0,0,0,0,0|4,0,0]=4 128 B9R0.7 CN(C)CCC(F)C(=O)O Amb27959150 [0,0,0,0,0,0|4,0,0]=4 129 B9R0.7 CN(C)CCC(N)C(=O)O Amb32661000 [0,0,0,0,0,0|3,0,0]=3 130 B9R0.7 CN(C)CCC(N)C(=O)O Amb6259376 [0,0,0,0,0,0|3,0,0]=3 131 B9R0.7 CN(C)CCC(N)C(N)=O Amb19036813 [0,0,0,0,0,0|4,0,0]=4 132 B9R0.7 CN(C)CCC(O)C(=O)O Amb26847402 [0,0,0,0,0,0|4,0,0]=4 133 B9R0.7 CN(C)CC[C@@H](N)C(=O)O Amb26453522 [0,0,0,0,0,0|3,0,0]=3 134 B9R0.7 CN(C)CC[C@H](N)C(=O)O Amb25108550 [0,0,0,0,0,0|3,0,0]=3 135 B9R0.7 CN(C)CC[C@H](N)C(N)=O Amb28364893 [0,0,0,0,0,0|4,0,0]=4 136 B9R0.7 CN(C)NCC(N)C(=O)O Amb28045970 [0,0,0,0,0,0|3,0,0]=3 137 B9R0.7 CN(O)CC[C@H](N)C(=O)O Amb27640254 [0,0,0,0,0,0|2,0,1]=3 138 B9R0.7 CS(=N)CCC(N)C(=O)O Amb25243030 [0,0,0,0,0,0|3,0,0]=3 139 B9R0.7 CS(=O)CCC(N)C(=O)O Amb6336322 [0,0,0,0,0,0|2,0,0]=2 140 B9R0.7 CS(=O)CCC(N)C(N)=O Amb25869966 [0,0,0,0,0,0|3,0,0]=3 141 B9R0.7 CS(=O)CCC(O)C(=O)O Amb28118981 [0,0,0,0,0,0|3,0,0]=3 142 B9R0.7 CS(=O)CC[C@@H](N)C(=O)O Amb19133021 [0,0,0,0,0,0|2,0,0]=2 143 B9R0.7 CS(=O)CC[C@H](N)C(=O)O Amb6600089 [0,0,0,0,0,0|2,0,0]=2 144 B9R0.7 CS(=O)NCC(N)C(=O)O Amb28122995 [0,0,0,0,0,0|2,0,0]=2 145 B9R0.7 C[C@@H](CCC(=O)O)C(=O)O Amb22799543 [0,0,0,0,0,0|3,0,0]=3 146 B9R0.7 C[C@@H](CC[N+](=O)[O-])C(=O)O Amb24330210 [0,0,0,0,0,0|4,0,0]=4 147 B9R0.7 C[C@@H](CNC(N)=O)C(=O)O Amb10844047 [0,0,0,0,0,0|3,0,0]=3 148 B9R0.7 C[C@@H](N)CC[C@@H](O)C(=O)O Amb27815031 [0,0,0,0,0,0|3,0,1]=4 149 B9R0.7 C[C@@H](NCC(=O)O)C(=O)O Amb22748947 [0,0,0,0,0,0|4,0,0]=4 150 B9R0.7 C[C@H](CCC(=O)O)C(=O)O Amb22225175 [0,0,0,0,0,0|3,0,0]=3 151 B9R0.7 C[C@H](CC[N+](=O)[O-])C(=O)O Amb13883662 [0,0,0,0,0,0|4,0,0]=4 152 B9R0.7 C[C@H](CNC(N)=O)C(=O)O Amb27235917 [0,0,0,0,0,0|3,0,0]=3 153 B9R0.7 C[C@H](NCC(=O)O)C(=O)O Amb25133540 [0,0,0,0,0,0|4,0,0]=4 154 B9R0.7 C[C@H](NCC(=O)O)C(=O)O Amb33803333 [0,0,0,0,0,0|4,0,0]=4 155 B9R0.7 C[C@H](O)[C@H](N)CCC(=O)O Amb27217393 [0,0,0,0,0,0|3,0,1]=4 156 B9R0.7 C[S+](C)CCC(N)C(=O)O Amb4006595 [0,0,0,0,0,0|3,0,0]=3 157 B9R0.7 C[S+](C)CCC(N)C(=O)O Amb4006626 [0,0,0,0,0,0|3,0,0]=3 158 B9R0.7 C[S+](C)CCC(N)C(=O)O Amb4007490 [0,0,0,0,0,0|3,0,0]=3 159 B9R0.7 C[S+](C)CCC(O)C(=O)O Amb33482959 [0,0,0,0,0,0|4,0,0]=4 160 B9R0.7 C[S+](C)CC[C@@H](N)C(=O)O Amb35781977 [0,0,0,0,0,0|3,0,0]=3 161 B9R0.7 C[S+](C)CC[C@@H](N)C(=O)O Amb6336613 [0,0,0,0,0,0|3,0,0]=3 162 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O Amb10601599 [0,0,0,0,0,0|3,0,0]=3 163 B9R0.7 C[SH](C)CC[C@H](N)C(=O)O Amb24440849 [0,0,0,0,0,0|3,0,0]=3 164 B9R0.7 C\C(Cl)=C/CC(Cl)C(=O)O Amb27212547 [0,0,0,0,0,0|3,0,0]=3 165 B9R0.7 C\C(Cl)=C\CC(Cl)C(=O)O Amb17594711 [0,0,0,0,0,0|3,0,0]=3 166 B9R0.7 C\C(F)=C/C[C@H](N)C(=O)O Amb27205690 [0,0,0,0,0,0|2,0,0]=2 167 B9R0.7 N=C(N)CCC(N)C(=O)O Amb28185146 [0,0,0,0,0,0|3,0,0]=3 168 B9R0.7 N=C(N)NCC(N)C(=O)O Amb22169574 [0,0,0,0,0,0|3,0,0]=3 169 B9R0.7 N=C(N)NCC(N)C(=O)O Amb9871390 [0,0,0,0,0,0|3,0,0]=3 170 B9R0.7 N=C(N)NCC(O)C(=O)O Amb27229727 [0,0,0,0,0,0|4,0,0]=4 171 B9R0.7 N=C(N)NC[C@@H](N)C(=O)O Amb28058768 [0,0,0,0,0,0|3,0,0]=3 172 B9R0.7 N=C(N)NC[C@@H](N)C(=O)O Amb31292962 [0,0,0,0,0,0|3,0,0]=3 173 B9R0.7 N=C(N)NC[C@H](N)C(=O)O Amb27230623 [0,0,0,0,0,0|3,0,0]=3 174 B9R0.7 NC(=O)C(N)CC=C(Cl)Cl Amb29866586 [0,0,0,0,0,0|4,0,0]=4 175 B9R0.7 NC(=O)C(N)CCC(=O)O Amb18644256 [0,0,0,0,0,0|3,0,0]=3 176 B9R0.7 NC(=O)CCC(=O)C(=O)O Amb26369364 [0,0,0,0,0,0|3,0,1]=4 177 B9R0.7 NC(=O)CCC(Br)C(=O)O Amb27828829 [0,0,0,0,0,0|3,0,0]=3 178 B9R0.7 NC(=O)CCC(N)C(=O)Cl Amb27793490 [0,0,0,0,0,0|3,0,0]=3 179 B9R0.7 NC(=O)CCC(N)C(=O)O Amb9702792 [0,0,0,0,0,0|2,0,0]=2 180 B9R0.7 NC(=O)CCC(N)C(N)=O Amb27175153 [0,0,0,0,0,0|3,0,0]=3 181 B9R0.7 NC(=O)CCC(O)C(N)=O Amb28289307 [0,0,0,0,0,0|4,0,0]=4 182 B9R0.7 NC(=O)CC[C@@H](Br)C(=O)O Amb28049993 [0,0,0,0,0,0|3,0,0]=3 183 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O Amb2688618 [0,0,0,0,0,0|2,0,0]=2 184 B9R0.7 NC(=O)CC[C@@H](N)C(N)=O Amb22748708 [0,0,0,0,0,0|3,0,0]=3 185 B9R0.7 NC(=O)CC[C@@H](N)C(N)=O Amb25996678 [0,0,0,0,0,0|3,0,0]=3 186 B9R0.7 NC(=O)CC[C@H](N)C(=O)O Amb6600045 [0,0,0,0,0,0|2,0,0]=2 187 B9R0.7 NC(=O)CC[C@H](N)C(N)=O Amb24426852 [0,0,0,0,0,0|3,0,0]=3 188 B9R0.7 NC(=O)CC[C@H](N)C(N)=O Amb33774694 [0,0,0,0,0,0|3,0,0]=3 189 B9R0.7 NC(=O)NCC(F)C(=O)O Amb17610485 [0,0,0,0,0,0|3,0,0]=3 190 B9R0.7 NC(=O)NCC(N)C(=O)O Amb4037018 [0,0,0,0,0,0|2,0,0]=2 191 B9R0.7 NC(=O)NCC(N)C(N)=O Amb27646620 [0,0,0,0,0,0|3,0,0]=3 192 B9R0.7 NC(=O)NCC(O)C(=O)O Amb27464106 [0,0,0,0,0,0|3,0,0]=3 193 B9R0.7 NC(=O)NCC(O)C(N)=O Amb28384014 [0,0,0,0,0,0|4,0,0]=4 194 B9R0.7 NC(=O)NC[C@@H](N)C(=O)O Amb10068479 [0,0,0,0,0,0|2,0,0]=2 195 B9R0.7 NC(=O)NC[C@H](N)C(=O)O Amb6298794 [0,0,0,0,0,0|2,0,0]=2 196 B9R0.7 NC(=O)OCC(N)C(=O)O Amb26968173 [0,0,0,0,0,0|1,0,0]=1 197 B9R0.7 NC(=O)OC[C@H](N)C(=O)O Amb28126945 [0,0,0,0,0,0|1,0,0]=1 198 B9R0.7 NC(=O)SCC(N)C(=O)O Amb3993051 [0,0,0,0,0,0|1,1,0]=2 199 B9R0.7 NC(=O)SC[C@@H](N)C(=O)O Amb10072293 [0,0,0,0,0,0|1,1,0]=2 200 B9R0.7 NC(=O)SC[C@H](N)C(=O)O Amb22735296 [0,0,0,0,0,0|1,1,0]=2 201 B9R0.7 NC(=O)[C@@H](N)CCC(=O)O Amb22745051 [0,0,0,0,0,0|3,0,0]=3 202 B9R0.7 NC(=O)[C@H](N)CCC(=O)O Amb24557281 [0,0,0,0,0,0|3,0,0]=3 203 B9R0.7 NC(=S)CCC(N)C(=O)O Amb27448533 [0,0,0,0,0,0|2,1,0]=3 204 B9R0.7 NC(=S)CC[C@H](N)C(=O)O Amb27640783 [0,0,0,0,0,0|2,1,0]=3 205 B9R0.7 NC(CC=C(Cl)Cl)C(=O)O Amb28239821 [0,0,0,0,0,0|3,0,0]=3 206 B9R0.7 NC(CCB(O)O)C(=O)O Amb22497480 [0,0,0,0,0,0|3,0,1]=4 207 B9R0.7 NC(CCC(=O)Cl)C(=O)O Amb27816376 [0,0,0,0,0,0|2,0,0]=2 208 B9R0.7 NC(CCC(=O)O)B(O)O Amb26983348 [0,0,0,0,0,0|3,0,1]=4 209 B9R0.7 NC(CCC(=O)O)C(=O)O Amb8395158 [0,0,0,0,0,0|2,0,0]=2 210 B9R0.7 NC(CCC(=O)O)C(=O)O Amb9703098 [0,0,0,0,0,0|2,0,0]=2 211 B9R0.7 NC(CCC(=O)O)C(=O)[O-] Amb4014785 [0,0,0,0,0,0|2,0,1]=3 212 B9R0.7 NC(CC[N+](=O)[O-])C(=O)O Amb27221965 [0,0,0,0,0,0|3,0,0]=3 213 B9R0.7 NC(CN[N+](=O)[O-])C(=O)O Amb27857570 [0,0,0,0,0,0|3,0,0]=3 214 B9R0.7 NC(COC(F)F)C(=O)O Amb27849786 [0,0,0,0,0,0|2,0,1]=3 215 B9R0.7 NC(CSC(=O)O)C(=O)O Amb27491502 [0,0,0,0,0,0|1,1,0]=2 216 B9R0.7 N[C@@H](CC=C(Cl)Cl)C(=O)O Amb29866596 [0,0,0,0,0,0|3,0,0]=3 217 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O Amb34915082 [0,0,0,0,0,0|2,0,0]=2 218 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O Amb3940322 [0,0,0,0,0,0|2,0,0]=2 219 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O Amb8513626 [0,0,0,0,0,0|2,0,0]=2 220 B9R0.7 N[C@@H](CCC(=O)O)C(=O)[O-] Amb22745619 [0,0,0,0,0,0|2,0,1]=3 221 B9R0.7 N[C@@H](CCC(O)=S)C(=O)O Amb24480492 [0,0,0,0,0,0|2,0,1]=3 222 B9R0.7 N[C@@H](CCS(=O)O)C(=O)O Amb25972325 [0,0,0,0,0,0|3,0,0]=3 223 B9R0.7 N[C@@H](CC[PH](=O)O)C(=O)O Amb22904307 [0,0,0,0,0,0|3,0,0]=3 224 B9R0.7 N[C@@H](CO[N+](=O)[O-])C(=O)O Amb27793180 [0,0,0,0,0,0|2,0,0]=2 225 B9R0.7 N[C@@H](CSC(=O)O)C(=O)O Amb27666945 [0,0,0,0,0,0|1,1,0]=2 226 B9R0.7 N[C@H](CC=C(Cl)Cl)C(=O)O Amb29866643 [0,0,0,0,0,0|3,0,0]=3 227 B9R0.7 N[C@H](CCC(=O)O)C(=O)O Amb2720565 [0,0,0,0,0,0|2,0,0]=2 228 B9R0.7 N[C@H](COC(F)F)C(=O)O Amb27637675 [0,0,0,0,0,0|2,0,1]=3 229 B9R0.7 N[C@H](CSC(F)F)C(=O)O Amb28290955 [0,0,0,0,0,0|2,1,1]=4 230 B9R0.7 O=C(Cl)SCC(=O)C(=O)O Amb33070040 [0,0,0,0,0,0|2,1,1]=4 231 B9R0.7 O=C(O)CCC(=O)C(=O)O Amb1154117 [0,0,0,0,0,0|3,0,1]=4 232 B9R0.7 O=C(O)CCC(=O)C(=O)O Amb16232496 [0,0,0,0,0,0|3,0,1]=4 233 B9R0.7 O=C(O)CCC(=O)C(=O)O Amb22746233 [0,0,0,0,0,0|3,0,1]=4 234 B9R0.7 O=C(O)CCC(Br)C(=O)O Amb26568399 [0,0,0,0,0,0|3,0,0]=3 235 B9R0.7 O=C(O)CCC(Cl)C(=O)O Amb17594149 [0,0,0,0,0,0|3,0,0]=3 236 B9R0.7 O=C(O)CCC(O)C(=O)O Amb18124864 [0,0,0,0,0,0|3,0,0]=3 237 B9R0.7 O=C(O)CCC(S)C(=O)O Amb27983646 [0,0,0,0,0,0|3,0,0]=3 238 B9R0.7 O=C(O)CC[C@@H](O)C(=O)O Amb22799690 [0,0,0,0,0,0|3,0,0]=3 239 B9R0.7 O=C(O)CC[C@H](Br)C(=O)O Amb26885416 [0,0,0,0,0,0|3,0,0]=3 240 B9R0.7 O=C(O)CC[C@H](Cl)C(=O)O Amb26590823 [0,0,0,0,0,0|3,0,0]=3 241 B9R0.7 O=C(O)CC[C@H](O)C(=O)O Amb25948742 [0,0,0,0,0,0|3,0,0]=3 242 B9R0.7 O=C(O)[C@H](O)CO[PH](=O)O Amb27955235 [0,0,0,0,0,0|3,0,0]=3 243 B9R0.7 O=C([O-])CCC(=O)C(=O)O Amb22231405 [0,0,0,0,0,0|3,0,1]=4 244 B9R0.7 O=C([O-])CC[C@@H](O)C(=O)[O-] Amb17615399 [0,0,0,0,0,0|3,0,1]=4 245 B8R0.8 C#CCCC(N)C(=O)O Amb6277526 [1,0,0,0,0,0|1,0,2]=4 246 B8R0.8 C#CCC[C@@H](N)C(=O)O Amb24088809 [1,0,0,0,0,0|1,0,2]=4 247 B8R0.8 C#CCC[C@H](N)C(=O)O Amb24088866 [1,0,0,0,0,0|1,0,2]=4 248 B8R0.8 C#CCC[C@H](N)C(=O)O Amb33744060 [1,0,0,0,0,0|1,0,2]=4 249 B8R0.8 C=C(COCC)C(=O)O Amb27444042 [1,0,0,0,0,0|1,0,2]=4 250 B8R0.8 C=C=CCC(N)C(=O)O Amb25843448 [1,0,0,0,0,0|1,0,2]=4 251 B8R0.8 C=C=CC[C@@H](N)C(=O)O Amb28070890 [1,0,0,0,0,0|1,0,2]=4 252 B8R0.8 C=CCCC(Br)C(=O)O Amb28047448 [1,0,0,0,0,0|2,0,1]=4 253 B8R0.8 C=CCCC(C)C(=O)O Amb18642656 [1,0,0,0,0,0|2,0,1]=4 254 B8R0.8 C=CCCC(N)C(=O)O Amb24383848 [1,0,0,0,0,0|1,0,1]=3 255 B8R0.8 C=CCCC(N)C(=O)O Amb28934988 [1,0,0,0,0,0|1,0,1]=3 256 B8R0.8 C=CCCC(N)C(N)=O Amb24333721 [1,0,0,0,0,0|2,0,1]=4 257 B8R0.8 C=CCC[C@@H](N)C(=O)O Amb23439045 [1,0,0,0,0,0|1,0,1]=3 258 B8R0.8 C=CCC[C@@H](N)C(N)=O Amb27168705 [1,0,0,0,0,0|2,0,1]=4 259 B8R0.8 C=CCC[C@H](N)C(=O)O Amb28285244 [1,0,0,0,0,0|1,0,1]=3 260 B8R0.8 C=CCC[C@H](O)C(=O)O Amb28122952 [1,0,0,0,0,0|2,0,1]=4 261 B8R0.8 C=CSCC(N)C(=O)O Amb28321669 [1,0,0,0,0,0|0,1,1]=3 262 B8R0.8 C=C\C=C\[C@H](N)C(=O)O Amb28324791 [1,0,0,0,0,0|1,0,2]=4 263 B8R0.8 CC#CCC(C)C(=O)O Amb28281174 [1,0,0,0,0,0|2,0,1]=4 264 B8R0.8 CC#CCC(N)C(=O)O Amb18988250 [1,0,0,0,0,0|1,0,1]=3 265 B8R0.8 CC#CCC(N)C(=O)O Amb33551077 [1,0,0,0,0,0|1,0,1]=3 266 B8R0.8 CC#CCC(N)C(N)=O Amb25793338 [1,0,0,0,0,0|2,0,1]=4 267 B8R0.8 CC#CC[C@@H](N)C(=O)O Amb22746783 [1,0,0,0,0,0|1,0,1]=3 268 B8R0.8 CC#CC[C@H](N)C(=O)O Amb27815040 [1,0,0,0,0,0|1,0,1]=3 269 B8R0.8 CC(=O)C(O)CCC=O Amb25965289 [1,0,0,0,0,0|3,0,0]=4 270 B8R0.8 CC(CN=C=O)C(=O)O Amb33471309 [1,0,0,0,0,0|2,0,1]=4 271 B8R0.8 CCCCC(Br)C(=O)O Amb9703129 [1,0,0,0,0,0|2,0,1]=4 272 B8R0.8 CCCCC(C)C(=O)O Amb3939937 [1,0,0,0,0,0|2,0,1]=4 273 B8R0.8 CCCCC(Cl)C(=O)O Amb17593750 [1,0,0,0,0,0|2,0,1]=4 274 B8R0.8 CCCCC(F)C(=O)O Amb25238781 [1,0,0,0,0,0|2,0,1]=4 275 B8R0.8 CCCCC(N)C(=O)O Amb4134813 [1,0,0,0,0,0|1,0,1]=3 276 B8R0.8 CCCCC(N)C(C)=O Amb1099238 [1,0,0,0,0,0|2,0,1]=4 277 B8R0.8 CCCCC(N)C(C)=O Amb22284085 [1,0,0,0,0,0|2,0,1]=4 278 B8R0.8 CCCCC(N)C(N)=O Amb18303664 [1,0,0,0,0,0|2,0,1]=4 279 B8R0.8 CCCCC(N)[PH](=O)O Amb27863480 [1,0,0,0,0,0|2,0,1]=4 280 B8R0.8 CCCCC(O)C(=O)O Amb3941634 [1,0,0,0,0,0|2,0,1]=4 281 B8R0.8 CCCCC(S)C(=O)O Amb25323873 [1,0,0,0,0,0|2,0,1]=4 282 B8R0.8 CCCC[C@@H](C)C(=O)O Amb24590691 [1,0,0,0,0,0|2,0,1]=4 283 B8R0.8 CCCC[C@@H](Cl)C(=O)O Amb27471038 [1,0,0,0,0,0|2,0,1]=4 284 B8R0.8 CCCC[C@@H](N)C(=O)O Amb1995006 [1,0,0,0,0,0|1,0,1]=3 285 B8R0.8 CCCC[C@H](Br)C(=O)O Amb28385588 [1,0,0,0,0,0|2,0,1]=4 286 B8R0.8 CCCC[C@H](C)C(=O)O Amb25850678 [1,0,0,0,0,0|2,0,1]=4 287 B8R0.8 CCCC[C@H](Cl)C(=O)O Amb27955265 [1,0,0,0,0,0|2,0,1]=4 288 B8R0.8 CCCC[C@H](N)C(=O)O Amb1995007 [1,0,0,0,0,0|1,0,1]=3 289 B8R0.8 CCCC[C@H](N)C(N)=O Amb9813732 [1,0,0,0,0,0|2,0,1]=4 290 B8R0.8 CCCC[C@H](O)C(=O)O Amb27626002 [1,0,0,0,0,0|2,0,1]=4 291 B8R0.8 CCCSC(N)C(=O)O Amb27865736 [1,0,0,0,0,0|2,0,1]=4 292 B8R0.8 CCNCC(C)C(=O)O Amb13952782 [1,0,0,0,0,0|2,0,1]=4 293 B8R0.8 CCNCC(C)C(=O)O Amb9400285 [1,0,0,0,0,0|2,0,1]=4 294 B8R0.8 CCOCC(Br)C(=O)O Amb28458425 [1,0,0,0,0,0|1,0,1]=3 295 B8R0.8 CCOCC(C)C(=O)O Amb9172215 [1,0,0,0,0,0|1,0,1]=3 296 B8R0.8 CCOCC(C)C(N)=O Amb28067564 [1,0,0,0,0,0|2,0,1]=4 297 B8R0.8 CCOCC(N)C(=O)O Amb28048685 [1,0,0,0,0,0|0,0,1]=2 298 B8R0.8 CCOCC(N)C(=O)O Amb33542705 [1,0,0,0,0,0|0,0,1]=2 299 B8R0.8 CCOCC(N)C(N)=O Amb26973746 [1,0,0,0,0,0|1,0,1]=3 300 B8R0.8 CCOC[C@@H](C)C(=O)O Amb25790635 [1,0,0,0,0,0|1,0,1]=3 301 B8R0.8 CCOC[C@@H](N)C(=O)O Amb25889733 [1,0,0,0,0,0|0,0,1]=2 302 B8R0.8 CCOC[C@@H](N)C(=O)O Amb30585227 [1,0,0,0,0,0|0,0,1]=2 303 B8R0.8 CCOC[C@@H](O)C(=O)O Amb33347463 [1,0,0,0,0,0|1,0,1]=3 304 B8R0.8 CCOC[C@H](C)C(=O)O Amb10844265 [1,0,0,0,0,0|1,0,1]=3 305 B8R0.8 CCOC[C@H](N)C(=O)O Amb22737184 [1,0,0,0,0,0|0,0,1]=2 306 B8R0.8 CCOC[C@H](N)C(=O)O Amb24478577 [1,0,0,0,0,0|0,0,1]=2 307 B8R0.8 CCSCC(C)C(=O)O Amb9400067 [1,0,0,0,0,0|1,1,1]=4 308 B8R0.8 CCSCC(N)C(=O)O Amb6257004 [1,0,0,0,0,0|0,1,1]=3 309 B8R0.8 CCSCC(O)C(=O)O Amb27231753 [1,0,0,0,0,0|1,1,1]=4 310 B8R0.8 CCSC[C@H](O)C(=O)O Amb27983830 [1,0,0,0,0,0|1,1,1]=4 311 B8R0.8 CC\C=C\C(N)C(=O)O Amb33449874 [1,0,0,0,0,0|1,0,2]=4 312 B8R0.8 CC\C=C\[C@@H](N)C(=O)O Amb27239476 [1,0,0,0,0,0|1,0,2]=4 313 B8R0.8 COCCC(C)C(=O)O Amb18523823 [1,0,0,0,0,0|3,0,0]=4 314 B8R0.8 COCCC(Cl)C(=O)O Amb27424361 [1,0,0,0,0,0|3,0,0]=4 315 B8R0.8 COCCC(N)C(=O)O Amb32675454 [1,0,0,0,0,0|2,0,0]=3 316 B8R0.8 COCCC(N)C(=O)O Amb6281324 [1,0,0,0,0,0|2,0,0]=3 317 B8R0.8 COCCC(N)C(N)=O Amb18311365 [1,0,0,0,0,0|3,0,0]=4 318 B8R0.8 COCCC(N)C(N)=O Amb32712112 [1,0,0,0,0,0|3,0,0]=4 319 B8R0.8 COCCC(O)C(=O)O Amb27647966 [1,0,0,0,0,0|3,0,0]=4 320 B8R0.8 COCC[C@@H](N)C(=O)O Amb16183870 [1,0,0,0,0,0|2,0,0]=3 321 B8R0.8 COCC[C@H](N)C(=O)O Amb16183872 [1,0,0,0,0,0|2,0,0]=3 322 B8R0.8 COCC[C@H](N)C(=O)O Amb24054991 [1,0,0,0,0,0|2,0,0]=3 323 B8R0.8 CONCC(N)C(N)=O Amb27216151 [1,0,0,0,0,0|3,0,0]=4 324 B8R0.8 CO\C=C\[C@@H](N)C(=O)O Amb27427471 [1,0,0,0,0,0|2,0,1]=4 325 B8R0.8 CPOC[C@H](N)C(=O)O Amb27424475 [1,0,0,0,0,0|1,0,0]=2 326 B8R0.8 CSCCC(C)C(=O)O Amb24739356 [1,0,0,0,0,0|3,0,0]=4 327 B8R0.8 CSCCC(Cl)C(=O)O Amb27468599 [1,0,0,0,0,0|3,0,0]=4 328 B8R0.8 CSCCC(N)C(=O)O Amb9703095 [1,0,0,0,0,0|2,0,0]=3 329 B8R0.8 CSCCC(N)C(C)=O Amb28388741 [1,0,0,0,0,0|3,0,0]=4 330 B8R0.8 CSCCC(N)C(N)=O Amb17142872 [1,0,0,0,0,0|3,0,0]=4 331 B8R0.8 CSCCC(N)C(N)=O Amb32752921 [1,0,0,0,0,0|3,0,0]=4 332 B8R0.8 CSCCC(O)C(=O)O Amb18304609 [1,0,0,0,0,0|3,0,0]=4 333 B8R0.8 CSCC[C@@H](N)C(=O)O Amb2720567 [1,0,0,0,0,0|2,0,0]=3 334 B8R0.8 CSCC[C@@H](N)C(=O)[O-] Amb32414686 [1,0,0,0,0,0|2,0,1]=4 335 B8R0.8 CSCC[C@@H](N)C(N)=O Amb18035930 [1,0,0,0,0,0|3,0,0]=4 336 B8R0.8 CSCC[C@@H](N)C(N)=O Amb22750575 [1,0,0,0,0,0|3,0,0]=4 337 B8R0.8 CSCC[C@@H](O)C(=O)O Amb25124092 [1,0,0,0,0,0|3,0,0]=4 338 B8R0.8 CSCC[C@H](Cl)C(=O)O Amb28286496 [1,0,0,0,0,0|3,0,0]=4 339 B8R0.8 CSCC[C@H](N)C(=O)O Amb5720611 [1,0,0,0,0,0|2,0,0]=3 340 B8R0.8 CSCC[C@H](N)C(C)=O Amb27763449 [1,0,0,0,0,0|3,0,0]=4 341 B8R0.8 CSCC[C@H](N)C(N)=O Amb8390412 [1,0,0,0,0,0|3,0,0]=4 342 B8R0.8 CSCC[C@H](N)C(N)=O Amb9813735 [1,0,0,0,0,0|3,0,0]=4 343 B8R0.8 CSCC[C@H](O)C(=O)O Amb28285270 [1,0,0,0,0,0|3,0,0]=4 344 B8R0.8 CSCOC(N)C(=O)O Amb27634144 [1,0,0,0,0,0|3,0,0]=4 345 B8R0.8 CSCO[C@H](N)C(=O)O Amb28183053 [1,0,0,0,0,0|3,0,0]=4 346 B8R0.8 CSOCC(N)C(=O)O Amb28285144 [1,0,0,0,0,0|1,0,0]=2 347 B8R0.8 CSSCC(C)C(=O)O Amb27240302 [1,0,0,0,0,0|2,1,0]=4 348 B8R0.8 CSSC[C@@H](N)C(=O)O Amb28381312 [1,0,0,0,0,0|1,1,0]=3 349 B8R0.8 CSSC[C@H](N)C(=O)O Amb28118786 [1,0,0,0,0,0|1,1,0]=3 350 B8R0.8 CS\C=C/[C@H](N)C(=O)O Amb26006745 [1,0,0,0,0,0|2,0,1]=4 351 B8R0.8 CS\C=C\C(N)C(=O)O Amb27759361 [1,0,0,0,0,0|2,0,1]=4 352 B8R0.8 C[Se]CCC(N)C(=O)O Amb8514803 [1,0,0,0,0,0|2,0,0]=3 353 B8R0.8 C[Se]CC[C@@H](N)C(=O)O Amb31031165 [1,0,0,0,0,0|2,0,0]=3 354 B8R0.8 C[Se]CC[C@H](N)C(=O)O Amb8514895 [1,0,0,0,0,0|2,0,0]=3 355 B8R0.8 C\C=C/CC(=O)C(=O)O Amb27450808 [1,0,0,0,0,0|2,0,1]=4 356 B8R0.8 C\C=C\CC(=O)C(=O)O Amb18642583 [1,0,0,0,0,0|2,0,1]=4 357 B8R0.8 C\C=C\CC(C)C(=O)O Amb18642630 [1,0,0,0,0,0|2,0,0]=3 358 B8R0.8 C\C=C\CC(C)C(C)=O Amb27799374 [1,0,0,0,0,0|3,0,0]=4 359 B8R0.8 C\C=C\CC(F)C(=O)O Amb27959670 [1,0,0,0,0,0|2,0,0]=3 360 B8R0.8 C\C=C\CC(N)C(=O)O Amb6256663 [1,0,0,0,0,0|1,0,0]=2 361 B8R0.8 C\C=C\CC(N)C(N)=O Amb26904386 [1,0,0,0,0,0|2,0,0]=3 362 B8R0.8 C\C=C\CC(O)C(C)=O Amb25707027 [1,0,0,0,0,0|3,0,0]=4 363 B8R0.8 C\C=C\C[C@@H](N)C(=O)O Amb33065673 [1,0,0,0,0,0|1,0,0]=2 364 B8R0.8 C\C=C\C[C@H](C)C(=O)O Amb28368854 [1,0,0,0,0,0|2,0,0]=3 365 B8R0.8 C\C=C\C[C@H](C)C(C)=O Amb26891739 [1,0,0,0,0,0|3,0,0]=4 366 B8R0.8 C\C=C\C[C@H](N)C(=O)O Amb27768785 [1,0,0,0,0,0|1,0,0]=2 367 B8R0.8 N#CCCC(N)C(=O)O Amb18642589 [1,0,0,0,0,0|2,0,1]=4 368 B8R0.8 N#CCC[C@@H](N)C(=O)O Amb25063958 [1,0,0,0,0,0|2,0,1]=4 369 B8R0.8 N#CCC[C@H](N)C(=O)O Amb16183912 [1,0,0,0,0,0|2,0,1]=4 370 B8R0.8 N#CSCC(N)C(=O)O Amb17593655 [1,0,0,0,0,0|1,1,1]=4 371 B8R0.8 NC(=O)C(N)C\C=C\Cl Amb27860856 [1,0,0,0,0,0|3,0,0]=4 372 B8R0.8 NC(=O)C(O)CNC=O Amb27784034 [1,0,0,0,0,0|3,0,0]=4 373 B8R0.8 NC(CCCBr)C(=O)O Amb24480263 [1,0,0,0,0,0|2,0,1]=4 374 B8R0.8 NC(CCCF)C(=O)O Amb25366994 [1,0,0,0,0,0|2,0,1]=4 375 B8R0.8 NC(CCCO)C(=O)O Amb18642915 [1,0,0,0,0,0|1,0,2]=4 376 B8R0.8 NC(CCCO)C(=O)O Amb22900028 [1,0,0,0,0,0|1,0,2]=4 377 B8R0.8 NC(CCCS)C(=O)O Amb27947968 [1,0,0,0,0,0|1,1,1]=4 378 B8R0.8 NC(CCNO)C(=O)O Amb28285114 [1,0,0,0,0,0|2,0,1]=4 379 B8R0.8 NC(CN=C=S)C(=O)O Amb28281778 [1,0,0,0,0,0|1,1,1]=4 380 B8R0.8 NC(C\C=C\Br)C(=O)O Amb27607572 [1,0,0,0,0,0|2,0,0]=3 381 B8R0.8 NC(C\C=C\Cl)C(=O)O Amb33037023 [1,0,0,0,0,0|2,0,0]=3 382 B8R0.8 NCCCC(N)C(=O)O Amb22489477 [1,0,0,0,0,0|2,0,1]=4 383 B8R0.8 NCCCC(N)C(=O)O Amb4006442 [1,0,0,0,0,0|2,0,1]=4 384 B8R0.8 NCCCC(N)C(=O)O Amb9173756 [1,0,0,0,0,0|2,0,1]=4 385 B8R0.8 NCCC[C@@H](N)C(=O)O Amb32411789 [1,0,0,0,0,0|2,0,1]=4 386 B8R0.8 NCCC[C@@H](N)C(=O)O Amb6600152 [1,0,0,0,0,0|2,0,1]=4 387 B8R0.8 NCCC[C@@H](N)C(=O)O Amb8390415 [1,0,0,0,0,0|2,0,1]=4 388 B8R0.8 NCCC[C@H](N)C(=O)O Amb20240598 [1,0,0,0,0,0|2,0,1]=4 389 B8R0.8 NCCC[C@H](N)C(=O)O Amb22746434 [1,0,0,0,0,0|2,0,1]=4 390 B8R0.8 NCCC[C@H](N)C(=O)O Amb8513279 [1,0,0,0,0,0|2,0,1]=4 391 B8R0.8 NCCC[C@H](N)C(=O)O Amb8627869 [1,0,0,0,0,0|2,0,1]=4 392 B8R0.8 NCOCC(N)C(=O)O Amb27429950 [1,0,0,0,0,0|1,0,1]=3 393 B8R0.8 NCOC[C@@H](N)C(=O)O Amb27233969 [1,0,0,0,0,0|1,0,1]=3 394 B8R0.8 NOCCC(N)C(=O)O Amb17593409 [1,0,0,0,0,0|3,0,0]=4 395 B8R0.8 NOCCC(N)C(=O)O Amb21858490 [1,0,0,0,0,0|3,0,0]=4 396 B8R0.8 NOCC[C@H](N)C(=O)O Amb26346874 [1,0,0,0,0,0|3,0,0]=4 397 B8R0.8 NOCC[C@H](N)C(=O)O Amb33038084 [1,0,0,0,0,0|3,0,0]=4 398 B8R0.8 N[C@@H](CCCCl)C(=O)O Amb27227989 [1,0,0,0,0,0|2,0,1]=4 399 B8R0.8 N[C@@H](CCCF)C(=O)O Amb27223043 [1,0,0,0,0,0|2,0,1]=4 400 B8R0.8 N[C@@H](CCCO)C(=O)O Amb16183887 [1,0,0,0,0,0|1,0,2]=4 401 B8R0.8 N[C@@H](CCNO)C(=O)O Amb24117852 [1,0,0,0,0,0|2,0,1]=4 402 B8R0.8 N[C@@H](CSCO)C(=O)O Amb27470985 [1,0,0,0,0,0|0,1,2]=4 403 B8R0.8 N[C@@H](CSN=O)C(=O)O Amb28182982 [1,0,0,0,0,0|1,1,0]=3 404 B8R0.8 N[C@@H](C\C=C\Cl)C(=O)O Amb33065741 [1,0,0,0,0,0|2,0,0]=3 405 B8R0.8 N[C@H](CCCBr)C(=O)O Amb26080278 [1,0,0,0,0,0|2,0,1]=4 406 B8R0.8 N[C@H](CCCF)C(=O)O Amb26908418 [1,0,0,0,0,0|2,0,1]=4 407 B8R0.8 N[C@H](CCCO)C(=O)O Amb28120579 [1,0,0,0,0,0|1,0,2]=4 408 B8R0.8 N[C@H](CCCO)C(=O)O Amb34913429 [1,0,0,0,0,0|1,0,2]=4 409 B8R0.8 N[C@H](CSN=O)C(=O)O Amb27845439 [1,0,0,0,0,0|1,1,0]=3 410 B8R0.8 N[C@H](C\C=C\Cl)C(=O)O Amb33309034 [1,0,0,0,0,0|2,0,0]=3 411 B8R0.8 O=C=NC[C@@H](F)C(=O)O Amb33037069 [1,0,0,0,0,0|2,0,1]=4 412 B8R0.8 O=CCCC(=O)C(=O)O Amb27882544 [1,0,0,0,0,0|2,0,1]=4 413 B8R0.8 O=CCCC(=O)C(=O)O Amb32670694 [1,0,0,0,0,0|2,0,1]=4 414 B8R0.8 O=CNC[C@@H](O)C(=O)O Amb27637039 [1,0,0,0,0,0|2,0,0]=3 415 B8R0.8 O=COCC(Cl)C(=O)O Amb27477082 [1,0,0,0,0,0|1,0,0]=2 416 B8R0.8 [N-]=[N+]=NCC(N)C(=O)O Amb28342834 [1,0,0,0,0,0|3,0,0]=4 417 B8R0.8 [N-]=[N+]=NCC(N)C(=O)O Amb35752605 [1,0,0,0,0,0|3,0,0]=4 418 B8R0.8 [N-]=[N+]=NC[C@@H](N)C(=O)O Amb26007532 [1,0,0,0,0,0|3,0,0]=4 419 B8R0.8 [N-]=[N+]=NC[C@@H](N)C(=O)O Amb33734276 [1,0,0,0,0,0|3,0,0]=4 420 B8R0.8 [N-]=[N+]=NC[C@H](N)C(=O)O Amb25072668 [1,0,0,0,0,0|3,0,0]=4 421 B8R0.8 [N-]=[N+]=NC[C@H](N)C(=O)O Amb30586485 [1,0,0,0,0,0|3,0,0]=4 422 B8R0.9 C#CC(Br)COC(C)=O Amb27776759 [1,0,0,0,0,0|2,0,1]=4 423 B8R0.9 C=C(C)OCC(O)CO Amb28315423 [1,0,0,0,0,0|2,0,1]=4 424 B8R0.9 C=CC(=O)COC(C)=O Amb17607380 [1,0,0,0,0,0|2,0,1]=4 425 B8R0.9 C=CC(C)CCC(C)=O Amb26390728 [1,0,0,0,0,0|3,0,0]=4 426 B8R0.9 C=CC(Cl)COC(C)=O Amb27860523 [1,0,0,0,0,0|2,0,0]=3 427 B8R0.9 C=CC(N)CCC(=O)O Amb10843623 [1,0,0,0,0,0|3,0,0]=4 428 B8R0.9 C=CC(N)CCC(=O)O Amb22056347 [1,0,0,0,0,0|3,0,0]=4 429 B8R0.9 C=C[C@H](N)CCC(=O)O Amb25694354 [1,0,0,0,0,0|3,0,0]=4 430 B8R0.9 CC(=O)CCC(C)C=O Amb18642612 [1,0,0,0,0,0|2,0,0]=3 431 B8R0.9 CC(=O)CCC(C)CO Amb27838673 [1,0,0,0,0,0|2,0,1]=4 432 B8R0.9 CC(=O)CCC(F)CO Amb25200909 [1,0,0,0,0,0|2,0,1]=4 433 B8R0.9 CC(=O)CCN(C)C=O Amb27802453 [1,0,0,0,0,0|3,0,0]=4 434 B8R0.9 CC(=O)NCC(C)C=O Amb27485699 [1,0,0,0,0,0|2,0,0]=3 435 B8R0.9 CC(=O)NCC(N)NO Amb27413098 [1,0,0,0,0,0|2,0,0]=3 436 B8R0.9 CC(=O)NC[C@@H](O)CO Amb27156658 [1,0,0,0,0,0|2,0,1]=4 437 B8R0.9 CC(=O)NC\C(N)=N/O Amb19650814 [1,0,0,0,0,0|2,0,1]=4 438 B8R0.9 CC(=O)NC\C(N)=N\O Amb21912454 [1,0,0,0,0,0|2,0,1]=4 439 B8R0.9 CC(=O)OCC(=O)CO Amb28253910 [1,0,0,0,0,0|1,0,2]=4 440 B8R0.9 CC(=O)OCC(C)CBr Amb22386917 [1,0,0,0,0,0|2,0,1]=4 441 B8R0.9 CC(=O)OCC(F)CO Amb27443281 [1,0,0,0,0,0|1,0,1]=3 442 B8R0.9 CC(=O)OCC(N)CO Amb33140919 [1,0,0,0,0,0|0,0,1]=2 443 B8R0.9 CC(=O)OCC(O)CCl Amb17593815 [1,0,0,0,0,0|2,0,1]=4 444 B8R0.9 CC(=O)OCC(O)CO Amb22043222 [1,0,0,0,0,0|1,0,1]=3 445 B8R0.9 CC(=O)OCC(S)CCl Amb28056223 [1,0,0,0,0,0|2,0,1]=4 446 B8R0.9 CC(=O)OCN(C)C=O Amb28285201 [1,0,0,0,0,0|2,0,0]=3 447 B8R0.9 CC(=O)OC[C@@H](O)CCl Amb27469927 [1,0,0,0,0,0|2,0,1]=4 448 B8R0.9 CC(=O)OC[C@H](C)C=O Amb27230590 [1,0,0,0,0,0|1,0,0]=2 449 B8R0.9 CC(=O)OC[C@H](C)CBr Amb28385279 [1,0,0,0,0,0|2,0,1]=4 450 B8R0.9 CC(=O)OC\C(C)=C/Cl Amb27793522 [1,0,0,0,0,0|2,0,1]=4 451 B8R0.9 CC(=O)OC\C(C)=C\Br Amb27803059 [1,0,0,0,0,0|2,0,1]=4 452 B8R0.9 CC(=O)OC\C(Cl)=C/Cl Amb27768652 [1,0,0,0,0,0|2,0,1]=4 453 B8R0.9 CC(=O)O\C=C(\C)C=O Amb27966540 [1,0,0,0,0,0|1,0,2]=4 454 B8R0.9 CC(=O)SCC(C)C=O Amb27827463 [1,0,0,0,0,0|1,1,0]=3 455 B8R0.9 CC(=O)SC[C@H](O)CO Amb27261704 [1,0,0,0,0,0|1,1,1]=4 456 B8R0.9 CC(=O)\C=C\C(O)C=O Amb27798118 [1,0,0,0,0,0|2,0,1]=4 457 B8R0.9 CC(C)=CCC(C)C=O Amb18642441 [1,0,0,0,0,0|3,0,0]=4 458 B8R0.9 CC(C)OCC(N)CO Amb27763204 [1,0,0,0,0,0|1,0,2]=4 459 B8R0.9 CC(C)OCC(O)C=O Amb27239297 [1,0,0,0,0,0|2,0,1]=4 460 B8R0.9 CC(C)OC[C@@H](N)CO Amb26854335 [1,0,0,0,0,0|1,0,2]=4 461 B8R0.9 CC(C)OC[C@H](N)CO Amb33445890 [1,0,0,0,0,0|1,0,2]=4 462 B8R0.9 CC(C=O)COC(C)C Amb25939491 [1,0,0,0,0,0|2,0,1]=4 463 B8R0.9 CCC(Br)COC(C)=O Amb26916647 [1,0,0,0,0,0|2,0,1]=4 464 B8R0.9 CC[C@@H](Br)COC(C)=O Amb28254442 [1,0,0,0,0,0|2,0,1]=4 465 B8R0.9 CC[C@H](C)COC(C)=O Amb27408010 [1,0,0,0,0,0|2,0,1]=4 466 B8R0.9 COC(C)COC(C)=O Amb22734341 [1,0,0,0,0,0|3,0,0]=4 467 B8R0.9 CS(=O)CCC(N)CO Amb27867840 [1,0,0,0,0,0|2,0,1]=4 468 B8R0.9 CS(=O)NCC(N)CO Amb27778086 [1,0,0,0,0,0|2,0,1]=4 469 B8R0.9 NC(=O)CC[C@H](N)CO Amb24368577 [1,0,0,0,0,0|2,0,1]=4 470 B8R0.9 NC(=O)OCC(N)CO Amb27956487 [1,0,0,0,0,0|1,0,1]=3 471 B8R0.9 NC(CO)CCC(=O)O Amb18642916 [1,0,0,0,0,0|2,0,1]=4 472 B8R0.9 NC(CO)CCC(=O)O Amb32665461 [1,0,0,0,0,0|2,0,1]=4 473 B8R0.9 N[C@H](CO)CCC(=O)O Amb24685421 [1,0,0,0,0,0|2,0,1]=4 474 B8R0.9 N[C@H](CO)CCC(=O)O Amb32664911 [1,0,0,0,0,0|2,0,1]=4 475 B8R0.28 C=C(C)CCCC(=O)O Amb2699907 [1,0,0,0,0,0|2,0,0]=3 476 B8R0.28 C=C(C)CCCC(C)=O Amb17739959 [1,0,0,0,0,0|3,0,0]=4 477 B8R0.28 C=C(C)CCCC(N)=O Amb27837767 [1,0,0,0,0,0|3,0,0]=4 478 B8R0.28 C=C(C)CCNC(C)=O Amb27780923 [1,0,0,0,0,0|3,0,0]=4 479 B8R0.28 C=C(C)CCOC(C)=O Amb4035107 [1,0,0,0,0,0|2,0,0]=3 480 B8R0.28 C=C(C)CSCC(=O)O Amb6280447 [1,0,0,0,0,0|3,0,0]=4 481 B8R0.28 C=C(C)\C=C\CC(=O)O Amb18642409 [1,0,0,0,0,0|2,0,1]=4 482 B8R0.28 C=C(F)CCCC(=O)O Amb22641515 [1,0,0,0,0,0|2,0,1]=4 483 B8R0.28 CC(=N)NCCC(N)=O Amb28049611 [1,0,0,0,0,0|3,0,0]=4 484 B8R0.28 CC(=O)CCC=C(C)C Amb533052 [1,0,0,0,0,0|3,0,0]=4 485 B8R0.28 CC(=O)CCCC(=O)O Amb1158049 [1,0,0,0,0,0|1,0,0]=2 486 B8R0.28 CC(=O)CCCC(C)=O Amb24093532 [1,0,0,0,0,0|2,0,0]=3 487 B8R0.28 CC(=O)CCCC(N)=O Amb25259665 [1,0,0,0,0,0|2,0,0]=3 488 B8R0.28 CC(=O)CCC[N+](=O)[O-] Amb18203187 [1,0,0,0,0,0|2,0,1]=4 489 B8R0.28 CC(=O)CCNC(C)=O Amb17102868 [1,0,0,0,0,0|2,0,0]=3 490 B8R0.28 CC(=O)CCOC(C)=O Amb4605918 [1,0,0,0,0,0|1,0,0]=2 491 B8R0.28 CC(=O)CCOC(C)C Amb22229804 [1,0,0,0,0,0|2,0,1]=4 492 B8R0.28 CC(=O)CC\C=C(\C)Cl Amb17593664 [1,0,0,0,0,0|3,0,0]=4 493 B8R0.28 CC(=O)CSCC(=O)O Amb26415891 [1,0,0,0,0,0|2,0,0]=3 494 B8R0.28 CC(=O)CSCC(=O)[O-] Amb20622616 [1,0,0,0,0,0|2,0,1]=4 495 B8R0.28 CC(=O)CSCC(N)=O Amb27411260 [1,0,0,0,0,0|3,0,0]=4 496 B8R0.28 CC(=O)NCCC(=O)O Amb1104704 [1,0,0,0,0,0|1,0,0]=2 497 B8R0.28 CC(=O)NCCC(N)=O Amb8997734 [1,0,0,0,0,0|2,0,0]=3 498 B8R0.28 CC(=O)NCCC(N)=S Amb17232012 [1,0,0,0,0,0|2,1,0]=4 499 B8R0.28 CC(=O)NCCS(=O)O Amb27638053 [1,0,0,0,0,0|2,0,0]=3 500 B8R0.28 CC(=O)NCNC(C)=O Amb8485453 [1,0,0,0,0,0|3,0,0]=4 501 B8R0.28 CC(=O)NCOC(C)=O Amb27810126 [1,0,0,0,0,0|2,0,0]=3 502 B8R0.28 CC(=O)NOCC(=O)O Amb25921073 [1,0,0,0,0,0|2,0,0]=3 503 B8R0.28 CC(=O)OCC=C(C)C Amb22002433 [1,0,0,0,0,0|2,0,1]=4 504 B8R0.28 CC(=O)OCC=C(F)F Amb16186005 [1,0,0,0,0,0|2,0,1]=4 505 B8R0.28 CC(=O)OCCC(=O)O Amb18642866 [1,0,0,0,0,0|0,0,0]=1 506 B8R0.28 CC(=O)OCCC(C)C Amb2793054 [1,0,0,0,0,0|2,0,1]=4 507 B8R0.28 CC(=O)OCCC(C)O Amb26357497 [1,0,0,0,0,0|1,0,1]=3 508 B8R0.28 CC(=O)OCCC(C)S Amb25077156 [1,0,0,0,0,0|1,1,1]=4 509 B8R0.28 CC(=O)OCCC(N)=O Amb25921090 [1,0,0,0,0,0|1,0,0]=2 510 B8R0.28 CC(=O)OCCN(C)C Amb8516593 [1,0,0,0,0,0|3,0,0]=4 511 B8R0.28 CC(=O)OCCS(=O)Cl Amb32720402 [1,0,0,0,0,0|2,0,0]=3 512 B8R0.28 CC(=O)OCCS(=O)[O-] Amb32754519 [1,0,0,0,0,0|1,0,1]=3 513 B8R0.28 CC(=O)OCCS(N)=O Amb32720403 [1,0,0,0,0,0|2,0,0]=3 514 B8R0.28 CC(=O)OCC[C@H](C)O Amb28192682 [1,0,0,0,0,0|1,0,1]=3 515 B8R0.28 CC(=O)OCOC(=O)Cl Amb26908239 [1,0,0,0,0,0|2,0,0]=3 516 B8R0.28 CC(=O)OCOC(C)=O Amb9787622 [1,0,0,0,0,0|2,0,0]=3 517 B8R0.28 CC(=O)O[Cd]OC(C)=O Amb22350451 [1,0,0,0,0,0|3,0,0]=4 518 B8R0.28 CC(=O)O[Cu]OC(C)=O Amb22052496 [1,0,0,0,0,0|3,0,0]=4 519 B8R0.28 CC(=O)O[Cu]OC(C)=O Amb22338197 [1,0,0,0,0,0|3,0,0]=4 520 B8R0.28 CC(=O)O[Fe]OC(C)=O Amb22338217 [1,0,0,0,0,0|3,0,0]=4 521 B8R0.28 CC(=O)O[Ni]OC(C)=O Amb22051702 [1,0,0,0,0,0|3,0,0]=4 522 B8R0.28 CC(=O)O[Pd]OC(C)=O Amb13890307 [1,0,0,0,0,0|3,0,0]=4 523 B8R0.28 CC(=O)O[Sr]OC(C)=O Amb22348499 [1,0,0,0,0,0|3,0,0]=4 524 B8R0.28 CC(=O)O[Zn]OC(C)=O Amb22351898 [1,0,0,0,0,0|3,0,0]=4 525 B8R0.28 CC(=O)O\N=C/C(=O)O Amb27593741 [1,0,0,0,0,0|1,0,1]=3 526 B8R0.28 CC(=O)SCCC(=O)Cl Amb26637117 [1,0,0,0,0,0|1,1,0]=3 527 B8R0.28 CC(=O)SCCC(=O)O Amb17607685 [1,0,0,0,0,0|0,1,0]=2 528 B8R0.28 CC(=O)S\C=C\C(=O)O Amb26969288 [1,0,0,0,0,0|0,1,2]=4 529 B8R0.28 CC(=O)\C=C/OC(C)=O Amb28364680 [1,0,0,0,0,0|1,0,2]=4 530 B8R0.28 CC(=O)\C=C\CC(=O)O Amb26900226 [1,0,0,0,0,0|1,0,1]=3 531 B8R0.28 CC(=O)\C=N\OC(C)=O Amb27788385 [1,0,0,0,0,0|2,0,1]=4 532 B8R0.28 CC(C)=CCCC(=O)O Amb10601609 [1,0,0,0,0,0|2,0,0]=3 533 B8R0.28 CC(C)=NNCC(=O)O Amb27958222 [1,0,0,0,0,0|3,0,0]=4 534 B8R0.28 CC(C)CCCC(=O)O Amb3941255 [1,0,0,0,0,0|2,0,1]=4 535 B8R0.28 CC(C)NCCC(=O)O Amb1106349 [1,0,0,0,0,0|2,0,1]=4 536 B8R0.28 CC(C)NCCC(=O)O Amb528114 [1,0,0,0,0,0|2,0,1]=4 537 B8R0.28 CC(C)OCCC(=O)Cl Amb24423336 [1,0,0,0,0,0|2,0,1]=4 538 B8R0.28 CC(C)OCCC(=O)O Amb6260272 [1,0,0,0,0,0|1,0,1]=3 539 B8R0.28 CC(C)SCCC(=O)O Amb6267279 [1,0,0,0,0,0|1,1,1]=4 540 B8R0.28 CC(F)CCCC(=O)O Amb28144031 [1,0,0,0,0,0|2,0,1]=4 541 B8R0.28 CC(N)CCCC(=O)O Amb22059416 [1,0,0,0,0,0|2,0,1]=4 542 B8R0.28 CC(N)CCCC(=O)O Amb28934990 [1,0,0,0,0,0|2,0,1]=4 543 B8R0.28 CC(O)CCCC(=O)O Amb2371277 [1,0,0,0,0,0|1,0,2]=4 544 B8R0.28 CN(C)CCCC(=O)O Amb2716225 [1,0,0,0,0,0|3,0,0]=4 545 B8R0.28 CN(C)CCCC(=O)O Amb9176338 [1,0,0,0,0,0|3,0,0]=4 546 B8R0.28 C[NH+](C)CCCC(=O)O Amb9786711 [1,0,0,0,0,0|3,0,0]=4 547 B8R0.28 N=C(N)NCCC(=O)O Amb3940732 [1,0,0,0,0,0|3,0,0]=4 548 B8R0.28 N=C(N)SCCC(=O)O Amb1043190 [1,0,0,0,0,0|2,1,0]=4 549 B8R0.28 NC(=O)CCCC(=O)O Amb5718388 [1,0,0,0,0,0|2,0,0]=3 550 B8R0.28 NC(=O)CCSC(N)=O Amb28045967 [1,0,0,0,0,0|2,1,0]=4 551 B8R0.28 NC(=O)COCC(=O)O Amb3429648 [1,0,0,0,0,0|3,0,0]=4 552 B8R0.28 NC(=O)CSCC(=O)O Amb1128074 [1,0,0,0,0,0|3,0,0]=4 553 B8R0.28 NC(=O)NCCC(=O)O Amb6567400 [1,0,0,0,0,0|2,0,0]=3 554 B8R0.28 NC(=O)NOCC(=O)O Amb28285979 [1,0,0,0,0,0|3,0,0]=4 555 B8R0.28 NC(=O)SCCC(=O)O Amb28340935 [1,0,0,0,0,0|1,1,0]=3 556 B8R0.28 NC(=S)CCCC(=O)O Amb27956588 [1,0,0,0,0,0|2,1,0]=4 557 B8R0.28 NC(=S)NCCC(=O)O Amb27815302 [1,0,0,0,0,0|2,1,0]=4 558 B8R0.28 NC(=S)SCCC(=O)O Amb4007391 [1,0,0,0,0,0|1,2,0]=4 559 B8R0.28 O=C(Cl)CCCC(=O)Cl Amb3940242 [1,0,0,0,0,0|3,0,0]=4 560 B8R0.28 O=C(O)CCCC(=O)O Amb4037276 [1,0,0,0,0,0|2,0,0]=3 561 B8R0.28 O=C(O)CCC[N+](=O)[O-] Amb24711043 [1,0,0,0,0,0|3,0,0]=4 562 B8R0.28 O=C(O)CCO[N+](=O)[O-] Amb21953424 [1,0,0,0,0,0|2,0,0]=3 563 B8R0.28 O=C(O)CNCC(=O)O Amb3940364 [1,0,0,0,0,0|3,0,0]=4 564 B8R0.28 O=C(O)COCC(=O)O Amb4433967 [1,0,0,0,0,0|3,0,0]=4 565 B8R0.28 O=C(O)CSCC(=O)O Amb6608738 [1,0,0,0,0,0|3,0,0]=4 566 B8R0.28 O=C(O)\C=C/CC(=O)O Amb27882014 [1,0,0,0,0,0|2,0,1]=4 567 B8R0.28 O=C(O)\C=C\CC(=O)O Amb1154189 [1,0,0,0,0,0|2,0,1]=4 568 B8R0.28 O=C([O-])COCC(=O)O Amb9787328 [1,0,0,0,0,0|3,0,0]=4 569 B10R0.12 NC(CCC(=O)O)P(=O)(O)O Amb28388181 [0,1,0,0,0,0|3,0,0]=4 570 B10R0.13 C=C(C(C)=O)C(C)OC(C)=O Amb27672410 [0,1,0,0,0,0|2,0,1]=4 571 B10R0.13 CC(=O)CC(C)C(C)C(=O)O Amb18126130 [0,1,0,0,0,0|2,0,0]=3 572 B10R0.13 CC(=O)CC(C)C(Cl)C(C)=O Amb27990141 [0,1,0,0,0,0|3,0,0]=4 573 B10R0.13 CC(=O)NC(C)C(C)C(=O)O Amb28137397 [0,1,0,0,0,0|2,0,0]=3 574 B10R0.13 CC(=O)NN(C)C(C)C(=O)O Amb25892464 [0,1,0,0,0,0|3,0,0]=4 575 B10R0.13 CC(=O)N[C@@H](C)[C@H](O)C(=O)O Amb27477763 [0,1,0,0,0,0|2,0,0]=3 576 B10R0.13 CC(=O)OC(C)C(Cl)C(C)=O Amb24764874 [0,1,0,0,0,0|2,0,0]=3 577 B10R0.13 CC(=O)OC(C)C(N)C(=O)O Amb25385009 [0,1,0,0,0,0|0,0,0]=1 578 B10R0.13 CC(=O)OC(C)C(O)C(C)=O Amb27672515 [0,1,0,0,0,0|2,0,0]=3 579 B10R0.13 CC(=O)O[C@@H](C)[C@@H](N)C(=O)O Amb22747815 [0,1,0,0,0,0|0,0,0]=1 580 B10R0.13 CC(=O)O[C@H](C)[C@H](N)C(=O)O Amb27272567 [0,1,0,0,0,0|0,0,0]=1 581 B10R0.13 CC(C)CC(C)C(N)C(=O)O Amb25384855 [0,1,0,0,0,0|2,0,1]=4 582 B10R0.13 CC(C)CC(C)C(N)C(=O)O Amb33329315 [0,1,0,0,0,0|2,0,1]=4 583 B10R0.13 CC(C)CC(C)[C@@H](N)C(=O)O Amb27671005 [0,1,0,0,0,0|2,0,1]=4 584 B10R0.13 CC(C)CC(C)[C@H](N)C(=O)O Amb27671004 [0,1,0,0,0,0|2,0,1]=4 585 B10R0.13 CC(C)CC(O)C(N)C(=O)O Amb26992515 [0,1,0,0,0,0|2,0,1]=4 586 B10R0.13 CC(C)C[C@@H](O)[C@@H](N)C(=O)O Amb27990182 [0,1,0,0,0,0|2,0,1]=4 587 B10R0.13 CC(C)C[C@@H](O)[C@H](N)C(=O)O Amb27990181 [0,1,0,0,0,0|2,0,1]=4 588 B10R0.13 CC(C)C[C@H](O)[C@H](N)C(=O)O Amb27271131 [0,1,0,0,0,0|2,0,1]=4 589 B10R0.13 CC(CC(=O)O)C(C)C(=O)O Amb4009129 [0,1,0,0,0,0|3,0,0]=4 590 B10R0.13 CC(CC(=O)O)C(N)C(=O)O Amb23440872 [0,1,0,0,0,0|2,0,0]=3 591 B10R0.13 CC(CC(=O)O)C(N)C(N)=O Amb27989322 [0,1,0,0,0,0|3,0,0]=4 592 B10R0.13 CC(CC(=O)O)[C@H](N)C(=O)O Amb26990553 [0,1,0,0,0,0|2,0,0]=3 593 B10R0.13 CC(CC(N)=O)C(N)C(=O)O Amb27989323 [0,1,0,0,0,0|2,0,0]=3 594 B10R0.13 CC(CN(C)C)C(N)C(=O)O Amb33066048 [0,1,0,0,0,0|3,0,0]=4 595 B10R0.13 CC(CN(C)C)[C@@H](N)C(=O)O Amb33036586 [0,1,0,0,0,0|3,0,0]=4 596 B10R0.13 CC(CN(C)C)[C@H](N)C(=O)O Amb33066275 [0,1,0,0,0,0|3,0,0]=4 597 B10R0.13 CC(NC(=N)N)C(N)C(=O)O Amb28239770 [0,1,0,0,0,0|3,0,0]=4 598 B10R0.13 CC(NS(C)=O)C(C)C(=O)O Amb27272526 [0,1,0,0,0,0|3,0,0]=4 599 B10R0.13 CC(OC(N)=O)C(N)C(=O)O Amb26082810 [0,1,0,0,0,0|1,0,0]=2 600 B10R0.13 C[C@@H](CC(=O)O)[C@@H](N)C(=O)O Amb19133152 [0,1,0,0,0,0|2,0,0]=3 601 B10R0.13 C[C@@H](CC(=O)O)[C@H](N)C(=O)O Amb28388115 [0,1,0,0,0,0|2,0,0]=3 602 B10R0.13 C[C@H](CC(=O)O)[C@@H](N)C(=O)O Amb28388114 [0,1,0,0,0,0|2,0,0]=3 603 B10R0.13 NC(=O)CC(O)C(N)C(N)=O Amb28080520 [0,1,0,0,0,0|3,0,0]=4 604 B10R0.13 NC(=O)C[C@@H](O)[C@@H](N)C(=O)O Amb27990186 [0,1,0,0,0,0|2,0,0]=3 605 B10R0.13 NC(=O)[C@@H](N)[C@H](O)CC(=O)O Amb27990184 [0,1,0,0,0,0|3,0,0]=4 606 B10R0.13 NC(=O)[C@H](N)[C@H](O)CC(=O)O Amb27990185 [0,1,0,0,0,0|3,0,0]=4 607 B10R0.13 NC(C(=O)O)C(O)CC(=O)O Amb25383245 [0,1,0,0,0,0|2,0,0]=3 608 B10R0.13 NC(C(=O)O)\C(Cl)=C\C(=O)O Amb24374819 [0,1,0,0,0,0|2,0,1]=4 609 B10R0.13 NC(CC(=O)O)C(O)C(=O)O Amb26083654 [0,1,0,0,0,0|3,0,0]=4 610 B10R0.13 NC(CC(=O)O)[C@H](N)C(=O)O Amb24764806 [0,1,0,0,0,0|2,0,0]=3 611 B10R0.13 N[C@@H](C(=O)O)[C@@H](O)CC(=O)O Amb27990015 [0,1,0,0,0,0|2,0,0]=3 612 B10R0.13 N[C@H](C(=O)O)C(F)CC(=O)O Amb26083316 [0,1,0,0,0,0|2,0,0]=3 613 B10R0.43 CC(=O)CCC(C)(C)C(=O)O Amb18645019 [0,1,0,0,0,0|2,0,0]=3 614 B10R0.43 CC(=O)CCC(C)(C)C(C)=O Amb27269948 [0,1,0,0,0,0|3,0,0]=4 615 B10R0.43 CC(=O)CCC(C)(N)C(N)=O Amb27989320 [0,1,0,0,0,0|2,0,0]=3 616 B10R0.43 CC(=O)NCC(C)(C)C(=O)O Amb33548160 [0,1,0,0,0,0|2,0,0]=3 617 B10R0.43 CC(=O)NCC(C)(O)C(=O)O Amb28044387 [0,1,0,0,0,0|2,0,0]=3 618 B10R0.43 CC(=O)NCC(F)(F)C(=O)O Amb27840273 [0,1,0,0,0,0|2,0,0]=3 619 B10R0.43 CC(=O)OCC(C)(C)C(=O)O Amb27269198 [0,1,0,0,0,0|1,0,0]=2 620 B10R0.43 CC(=O)SCC(C)(C)C(=O)O Amb27818773 [0,1,0,0,0,0|1,1,0]=3 621 B10R0.43 CC(C)(CCC(=O)O)C(=O)O Amb2721065 [0,1,0,0,0,0|3,0,0]=4 622 B10R0.43 CC(C)(CNC(N)=O)C(=O)O Amb27401824 [0,1,0,0,0,0|3,0,0]=4 623 B10R0.43 CC(C)(CO[N+](=O)[O-])C(=O)O Amb21856834 [0,1,0,0,0,0|3,0,0]=4 624 B10R0.43 CC(C)=CCC(C)(N)C(=O)O Amb27176549 [0,1,0,0,0,0|2,0,0]=3 625 B10R0.43 CC(C)=CCC(C)(O)C(=O)O Amb27864040 [0,1,0,0,0,0|3,0,0]=4 626 B10R0.43 CC(C)CCC(C)(N)C(=O)O Amb4134835 [0,1,0,0,0,0|2,0,1]=4 627 B10R0.43 CC(C)CCC(C)(N)C(=O)O Amb7969761 [0,1,0,0,0,0|2,0,1]=4 628 B10R0.43 CC(C)OCC(C)(C)C(=O)O Amb27269272 [0,1,0,0,0,0|2,0,1]=4 629 B10R0.43 CC(C)OCC(F)(F)C(=O)O Amb33171242 [0,1,0,0,0,0|2,0,1]=4 630 B10R0.43 CC(C)SCC(C)(N)C(=O)O Amb18178454 [0,1,0,0,0,0|1,1,1]=4 631 B10R0.43 CC(N)(CCC(=O)O)C(=O)O Amb22801426 [0,1,0,0,0,0|2,0,0]=3 632 B10R0.43 CC(N)(CCC(=O)O)C(=O)O Amb3940869 [0,1,0,0,0,0|2,0,0]=3 633 B10R0.43 CC(N)(\C=C\C(=O)O)C(=O)O Amb27401910 [0,1,0,0,0,0|2,0,1]=4 634 B10R0.43 CN(C)CCC(C)(N)C(=O)O Amb18800387 [0,1,0,0,0,0|3,0,0]=4 635 B10R0.43 CS(=O)NCC(C)(C)C(=O)O Amb27272527 [0,1,0,0,0,0|3,0,0]=4 636 B10R0.43 CS(=O)NCC(C)(O)C(=O)O Amb27272530 [0,1,0,0,0,0|3,0,0]=4 637 B10R0.43 CS(=O)NCC(F)(F)C(=O)O Amb27272533 [0,1,0,0,0,0|3,0,0]=4 638 B10R0.43 C[C@@](N)(CCC(=O)O)C(=O)O Amb8629033 [0,1,0,0,0,0|2,0,0]=3 639 B10R0.43 C[C@](N)(CCC(=O)O)C(=O)O Amb8629032 [0,1,0,0,0,0|2,0,0]=3 640 B10R0.43 C\C(Cl)=C\CC(C)(C)C(=O)O Amb25892531 [0,1,0,0,0,0|3,0,0]=4 641 B10R0.43 NC(=O)C(N)(O)CCC(=O)O Amb28080506 [0,1,0,0,0,0|3,0,0]=4 642 B10R0.43 NC(=O)CCC(N)(F)C(=O)O Amb10839407 [0,1,0,0,0,0|2,0,0]=3 643 B10R0.43 NC(N)(CCC(=O)O)C(=O)O Amb26076861 [0,1,0,0,0,0|2,0,0]=3 644 B10R0.43 O=C(O)CCC(F)(F)C(=O)O Amb22263070 [0,1,0,0,0,0|3,0,0]=4 645 B10R0.43 O=C(O)CCC(O)(O)C(=O)O Amb27271130 [0,1,0,0,0,0|3,0,0]=4 646 B10R0.57 C=C(C)CCC(N)C(=O)OC Amb33309178 [0,1,0,0,0,0|2,0,0]=3 647 B10R0.57 C=C(COC(C)=O)C(=O)OC Amb22496541 [0,1,0,0,0,0|1,0,1]=3 648 B10R0.57 CC(=O)OCC(=O)\C(C)=N/O Amb27672436 [0,1,0,0,0,0|2,0,1]=4 649 B10R0.57 CC(=O)OCC(=O)\C(C)=N\O Amb27672611 [0,1,0,0,0,0|2,0,1]=4 650 B10R0.57 CC(=O)OC\C(C)=C(/C)CO Amb27989579 [0,1,0,0,0,0|2,0,1]=4 651 B10R0.57 CNC(=O)C(N)CCC(=O)O Amb27987066 [0,1,0,0,0,0|3,0,0]=4 652 B10R0.57 CNC(=O)[C@@H](N)CCC(=O)O Amb27671844 [0,1,0,0,0,0|3,0,0]=4 653 B10R0.57 COC(=O)C(C)CNC(C)=O Amb25385897 [0,1,0,0,0,0|2,0,0]=3 654 B10R0.57 COC(=O)C(Cl)CSC(C)=O Amb33620490 [0,1,0,0,0,0|1,1,0]=3 655 B10R0.57 COC(=O)C(N)CC=C(C)C Amb26077073 [0,1,0,0,0,0|2,0,0]=3 656 B10R0.57 COC(=O)C(N)CC=C(Cl)Cl Amb33036714 [0,1,0,0,0,0|3,0,0]=4 657 B10R0.57 COC(=O)C(N)CCC(C)=O Amb32645698 [0,1,0,0,0,0|1,0,0]=2 658 B10R0.57 COC(=O)C(N)CCC(C)C Amb32645736 [0,1,0,0,0,0|2,0,1]=4 659 B10R0.57 COC(=O)C(N)CCC(C)C Amb33339193 [0,1,0,0,0,0|2,0,1]=4 660 B10R0.57 COC(=O)C(N)CCC(C)O Amb33065655 [0,1,0,0,0,0|1,0,2]=4 661 B10R0.57 COC(=O)C(N)CCC(N)=O Amb32752608 [0,1,0,0,0,0|2,0,0]=3 662 B10R0.57 COC(=O)C(N)CCN(C)C Amb18787991 [0,1,0,0,0,0|3,0,0]=4 663 B10R0.57 COC(=O)C(N)CCS(C)=O Amb18648234 [0,1,0,0,0,0|2,0,0]=3 664 B10R0.57 COC(=O)C(N)COC(C)=O Amb33803614 [0,1,0,0,0,0|0,0,0]=1 665 B10R0.57 COC(=O)C(N)COC(C)C Amb18788055 [0,1,0,0,0,0|1,0,1]=3 666 B10R0.57 COC(=O)C(O)CNC(C)=O Amb27672462 [0,1,0,0,0,0|2,0,0]=3 667 B10R0.57 COC(=O)C(O)COC(C)C Amb33224480 [0,1,0,0,0,0|2,0,1]=4 668 B10R0.57 COC(=O)[C@@H](N)CCC(=O)O Amb8390399 [0,1,0,0,0,0|2,0,0]=3 669 B10R0.57 COC(=O)[C@@H](N)CCC(N)=O Amb8629195 [0,1,0,0,0,0|2,0,0]=3 670 B10R0.57 COC(=O)[C@@H](N)CCS(C)=O Amb33802381 [0,1,0,0,0,0|2,0,0]=3 671 B10R0.57 COC(=O)[C@@H](N)CNC(C)=O Amb27990246 [0,1,0,0,0,0|1,0,0]=2 672 B10R0.57 COC(=O)[C@@H](N)CNC(N)=O Amb27989967 [0,1,0,0,0,0|2,0,0]=3 673 B10R0.57 COC(=O)[C@H](Cl)CNC(C)=O Amb27989995 [0,1,0,0,0,0|2,0,0]=3 674 B10R0.57 COC(=O)[C@H](N)CCC(=O)O Amb33801734 [0,1,0,0,0,0|2,0,0]=3 675 B10R0.57 COC(=O)[C@H](N)CCC(=O)O Amb33866552 [0,1,0,0,0,0|2,0,0]=3 676 B10R0.57 COC(=O)[C@H](N)CCC(=O)[O-] Amb34915024 [0,1,0,0,0,0|2,0,0]=3 677 B10R0.57 COC(=O)[C@H](N)CCC(C)C Amb31295689 [0,1,0,0,0,0|2,0,1]=4 678 B10R0.57 COC(=O)[C@H](N)CCC(N)=O Amb8629196 [0,1,0,0,0,0|2,0,0]=3 679 B10R0.57 COC(=O)\C(C)=C\OC(C)=O Amb17844071 [0,1,0,0,0,0|1,0,2]=4 680 B10R0.57 NC(CCC(=O)O)C(=O)NO Amb27987067 [0,1,0,0,0,0|2,0,0]=3 681 B10R0.57 NNC(=O)C(N)CCC(=O)O Amb27987068 [0,1,0,0,0,0|3,0,0]=4 682 B10R0.57 NNC(=O)C(N)CCC(N)=O Amb27988668 [0,1,0,0,0,0|3,0,0]=4 683 B10R0.82 C#CC(=O)NCC(N)C(=O)O Amb27792858 [0,1,0,0,0,0|1,0,1]=3 684 B10R0.82 C#CC(=O)NC[C@H](N)C(=O)O Amb25210877 [0,1,0,0,0,0|1,0,1]=3 685 B10R0.82 C#CC(=O)NC[C@H](O)C(=O)O Amb27751159 [0,1,0,0,0,0|2,0,1]=4 686 B10R0.82 C#CC(C)NCC(N)C(=O)O Amb27988083 [0,1,0,0,0,0|2,0,1]=4 687 B10R0.82 C#CC(C)OCC(Cl)C(=O)O Amb27492170 [0,1,0,0,0,0|2,0,1]=4 688 B10R0.82 C=C(C)C(N)CCC(=O)OC Amb33199520 [0,1,0,0,0,0|3,0,0]=4 689 B10R0.82 C=C(CCC(=O)OC)C(=O)O Amb30584741 [0,1,0,0,0,0|2,0,1]=4 690 B10R0.82 C=CC(=O)NC[C@H](N)C(=O)O Amb27674138 [0,1,0,0,0,0|1,0,1]=3 691 B10R0.82 CC(=O)[C@H](O)C\C=C(\C)C=O Amb27989749 [0,1,0,0,0,0|3,0,0]=4 692 B10R0.82 CCC(=O)NCC(N)C(C)O Amb27271723 [0,1,0,0,0,0|2,0,1]=4 693 B10R0.82 CCC(=O)NC[C@H](O)C(=O)O Amb27670709 [0,1,0,0,0,0|2,0,0]=3 694 B10R0.82 CCC(C)OCC(N)C(=O)O Amb18177727 [0,1,0,0,0,0|1,0,1]=3 695 B10R0.82 CCC(C)OCC(N)C(N)=O Amb18177699 [0,1,0,0,0,0|2,0,1]=4 696 B10R0.82 CCC(C)OC[C@@H](N)C(=O)O Amb32789388 [0,1,0,0,0,0|1,0,1]=3 697 B10R0.82 CCC(C)OC[C@H](N)C(=O)O Amb33036875 [0,1,0,0,0,0|1,0,1]=3 698 B10R0.82 CCN(C)CC[C@@H](N)C(=O)O Amb32698166 [0,1,0,0,0,0|3,0,0]=4 699 B10R0.82 CNC(=O)CCC(N)C(=O)O Amb18645293 [0,1,0,0,0,0|1,0,0]=2 700 B10R0.82 CNC(=O)CO[C@@H](C)C(=O)O Amb27986317 [0,1,0,0,0,0|3,0,0]=4 701 B10R0.82 CNC(=O)CSC(C)C(=O)O Amb6257259 [0,1,0,0,0,0|3,0,0]=4 702 B10R0.82 CNC(=O)NCC(C)C(=O)O Amb18300018 [0,1,0,0,0,0|2,0,0]=3 703 B10R0.82 CNC(=O)NCC(N)C(C)O Amb28248897 [0,1,0,0,0,0|2,0,1]=4 704 B10R0.82 CNC(=O)SC[C@H](N)C(=O)O Amb17617278 [0,1,0,0,0,0|0,1,0]=2 705 B10R0.82 COC(=O)CCC(Br)C(=O)O Amb18134592 [0,1,0,0,0,0|2,0,0]=3 706 B10R0.82 COC(=O)CCC(Cl)C(=O)O Amb32941125 [0,1,0,0,0,0|2,0,0]=3 707 B10R0.82 COC(=O)CCC(N)C(=O)O Amb9825413 [0,1,0,0,0,0|1,0,0]=2 708 B10R0.82 COC(=O)CCC(N)C(N)=O Amb31291204 [0,1,0,0,0,0|2,0,0]=3 709 B10R0.82 COC(=O)CCC(O)C(=O)O Amb32941120 [0,1,0,0,0,0|2,0,0]=3 710 B10R0.82 COC(=O)CC[C@@H](N)C(=O)O Amb16183875 [0,1,0,0,0,0|1,0,0]=2 711 B10R0.82 COC(=O)CC[C@@H](N)C(=O)O Amb22746068 [0,1,0,0,0,0|1,0,0]=2 712 B10R0.82 COC(=O)CC[C@H](N)C(=O)O Amb2720571 [0,1,0,0,0,0|1,0,0]=2 713 B10R0.82 COC(=O)CC[C@H](N)C(=O)[O-] Amb34916015 [0,1,0,0,0,0|1,0,1]=3 714 B10R0.82 COC(=O)CC[C@H](N)C(N)=O Amb22432474 [0,1,0,0,0,0|2,0,0]=3 715 B10R0.82 COC(=O)CC[C@H](N)C(N)=O Amb34916457 [0,1,0,0,0,0|2,0,0]=3 716 B10R0.82 COC(=O)NCC(N)C(C)O Amb27271725 [0,1,0,0,0,0|2,0,1]=4 717 B10R0.82 COC(=O)NC[C@H](O)C(=O)O Amb27670721 [0,1,0,0,0,0|2,0,0]=3 718 B10R0.82 C\C(C=O)=C\C=C(\N)C(=O)O Amb25837304 [0,1,0,0,0,0|1,0,2]=4 719 B10R0.82 NC(CCC(=O)NO)C(=O)O Amb22350145 [0,1,0,0,0,0|2,0,0]=3 720 B10R0.82 NC(CC[PH](=O)CO)C(=O)[O-] Amb22167951 [0,1,0,0,0,0|2,0,1]=4 721 B10R0.82 NC(CF)CCC(N)C(=O)O Amb31030977 [0,1,0,0,0,0|2,0,1]=4 722 B10R0.82 NC(CF)CCC(N)C(=O)O Amb33204489 [0,1,0,0,0,0|2,0,1]=4 723 B10R0.82 NC(CNC(=O)C=O)C(=O)O Amb26082139 [0,1,0,0,0,0|1,0,1]=3 724 B10R0.82 NC(CNC(=O)CCl)C(=O)O Amb27990068 [0,1,0,0,0,0|1,0,0]=2 725 B10R0.82 NC(CS\C(Cl)=C\Cl)C(=O)O Amb27818529 [0,1,0,0,0,0|1,1,1]=4 726 B10R0.82 NCC(F)CCC(N)C(=O)O Amb10839781 [0,1,0,0,0,0|2,0,1]=4 727 B10R0.82 NCC(O)CCC(N)C(=O)O Amb2720125 [0,1,0,0,0,0|1,0,2]=4 728 B10R0.82 NCC(O)CCC(N)C(=O)O Amb9809250 [0,1,0,0,0,0|1,0,2]=4 729 B10R0.82 NCC(O)CC[C@H](N)C(=O)O Amb34175411 [0,1,0,0,0,0|1,0,2]=4 730 B10R0.82 NC[C@@H](O)CC[C@H](N)C(=O)O Amb24117040 [0,1,0,0,0,0|1,0,2]=4 731 B10R0.82 NC[C@H](O)CC[C@@H](N)C(=O)O Amb33802991 [0,1,0,0,0,0|1,0,2]=4 732 B10R0.82 NC[C@H](O)CC[C@@H](N)C(=O)O Amb33804786 [0,1,0,0,0,0|1,0,2]=4 733 B10R0.82 NC[C@H](O)CC[C@H](N)C(=O)O Amb22747912 [0,1,0,0,0,0|1,0,2]=4 734 B10R0.82 NC[C@H](O)CC[C@H](N)C(=O)O Amb24121192 [0,1,0,0,0,0|1,0,2]=4 735 B10R0.82 NC[C@H](O)CC[C@H](N)C(=O)O Amb35788437 [0,1,0,0,0,0|1,0,2]=4 736 B10R0.82 NNC(=O)CCC(N)C(=O)O Amb6366546 [0,1,0,0,0,0|2,0,0]=3 737 B10R0.82 NNC(=O)CC[C@H](N)C(=O)O Amb25379957 [0,1,0,0,0,0|2,0,0]=3 738 B10R0.82 N[C@@H](CCC(=O)NO)C(=O)O Amb27269199 [0,1,0,0,0,0|2,0,0]=3 739 B10R0.82 N[C@@H](CS\C(Cl)=C\Cl)C(=O)O Amb27671445 [0,1,0,0,0,0|1,1,1]=4 740 B10R0.82 N[C@@H](C\C=C(/Cl)CO)C(=O)O Amb27988484 [0,1,0,0,0,0|2,0,0]=3 741 B10R0.82 N\C(=N/O)NCC(N)C(=O)O Amb28182515 [0,1,0,0,0,0|2,0,1]=4 742 B10R0.82 O=C(CCl)NCC(O)C(=O)O Amb27990120 [0,1,0,0,0,0|2,0,0]=3 743 B10R0.84 CC(=O)CCC(=[N+]=[N-])C(=O)O Amb26083624 [0,1,0,0,0,0|1,0,2]=4 744 B10R0.84 CC(=O)OCC(=S=O)C(C)=O Amb27672441 [0,1,0,0,0,0|2,0,1]=4 745 B10R0.84 CC(C)=CCC(C#N)C(=O)O Amb35741479 [0,1,0,0,0,0|2,0,1]=4 746 B10R0.84 CC(C)OCC(CN)C(=O)O Amb33274848 [0,1,0,0,0,0|1,0,1]=3 747 B10R0.84 CCC(COC(C)C)C(=O)O Amb32953727 [0,1,0,0,0,0|2,0,1]=4 748 B10R0.84 CN(C)CCC(CN)C(=O)O Amb33272650 [0,1,0,0,0,0|3,0,0]=4 749 B10R0.84 CN[C@@H](CCC(=O)O)C(=O)O Amb13884885 [0,1,0,0,0,0|2,0,0]=3 750 B10R0.84 CN[C@@H](CCC(=O)O)C(=O)O Amb24117978 [0,1,0,0,0,0|2,0,0]=3 751 B10R0.84 COC(CNC(C)=O)C(=O)O Amb27269110 [0,1,0,0,0,0|2,0,0]=3 752 B10R0.84 COC(CNC(N)=O)C(=O)O Amb27269111 [0,1,0,0,0,0|3,0,0]=4 753 B10R0.84 N#CC(CCC(=O)O)C(=O)O Amb27990272 [0,1,0,0,0,0|2,0,1]=4 754 B10R0.92 CC(=O)C(N)CCS(C)(=O)=O Amb5716772 [0,1,0,0,0,0|3,0,0]=4 755 B10R0.92 CC(=O)[C@@H](N)COC(C)(C)C Amb27272392 [0,1,0,0,0,0|2,0,1]=4 756 B10R0.92 CC(C)(C)CCC(N)C(=O)O Amb18307415 [0,1,0,0,0,0|2,0,1]=4 757 B10R0.92 CC(C)(C)CCC(N)C(=O)O Amb32882445 [0,1,0,0,0,0|2,0,1]=4 758 B10R0.92 CC(C)(C)CC[C@@H](N)C(=O)O Amb25383852 [0,1,0,0,0,0|2,0,1]=4 759 B10R0.92 CC(C)(C)CC[C@H](N)C(=O)O Amb28386947 [0,1,0,0,0,0|2,0,1]=4 760 B10R0.92 CC(C)(C)OCC(N)C(=O)O Amb9790049 [0,1,0,0,0,0|1,0,1]=3 761 B10R0.92 CC(C)(C)OCC(N)C(N)=O Amb18177696 [0,1,0,0,0,0|2,0,1]=4 762 B10R0.92 CC(C)(C)OCC(O)C(=O)O Amb25384599 [0,1,0,0,0,0|2,0,1]=4 763 B10R0.92 CC(C)(C)OC[C@@H](N)C(=O)O Amb8390419 [0,1,0,0,0,0|1,0,1]=3 764 B10R0.92 CC(C)(C)OC[C@@H](N)C(N)=O Amb10603227 [0,1,0,0,0,0|2,0,1]=4 765 B10R0.92 CC(C)(C)OC[C@@H](O)C(=O)O Amb24765485 [0,1,0,0,0,0|2,0,1]=4 766 B10R0.92 CC(C)(C)OC[C@H](N)C(=O)O Amb10844851 [0,1,0,0,0,0|1,0,1]=3 767 B10R0.92 CC(C)(C)OC[C@H](N)C(N)=O Amb24764796 [0,1,0,0,0,0|2,0,1]=4 768 B10R0.92 CC(C)(C)OC[C@H](O)C(=O)O Amb26659259 [0,1,0,0,0,0|2,0,1]=4 769 B10R0.92 CC(C)(C)SCC(N)C(=O)O Amb18790874 [0,1,0,0,0,0|1,1,1]=4 770 B10R0.92 CC(C)(C)SC[C@@H](N)C(=O)O Amb22745248 [0,1,0,0,0,0|1,1,1]=4 771 B10R0.92 CC(C)(C)SC[C@@H](N)C(=O)O Amb8389453 [0,1,0,0,0,0|1,1,1]=4 772 B10R0.92 CC(C)(C)SC[C@H](N)C(=O)O Amb2721173 [0,1,0,0,0,0|1,1,1]=4 773 B10R0.92 CC(C)(C)SC[C@H](N)C(=O)O Amb8629100 [0,1,0,0,0,0|1,1,1]=4 774 B10R0.92 CC(C)(O)CCC(N)C(=O)O Amb26659578 [0,1,0,0,0,0|1,0,2]=4 775 B10R0.92 CC(C)(O)CC[C@@H](N)C(=O)O Amb33036146 [0,1,0,0,0,0|1,0,2]=4 776 B10R0.92 CC(C)(O)CC[C@H](N)C(=O)O Amb26659762 [0,1,0,0,0,0|1,0,2]=4 777 B10R0.92 CC(CCS(C)(=O)=O)C(=O)O Amb18305099 [0,1,0,0,0,0|3,0,0]=4 778 B10R0.92 CC(COC(C)(C)C)C(=O)O Amb9399879 [0,1,0,0,0,0|2,0,1]=4 779 B10R0.92 CC(F)(F)CCC(N)C(=O)O Amb27990024 [0,1,0,0,0,0|2,0,1]=4 780 B10R0.92 CC(F)(F)CC[C@@H](N)C(=O)O Amb25383712 [0,1,0,0,0,0|2,0,1]=4 781 B10R0.92 CP(=O)(O)CCC(N)C(=O)O Amb4424634 [0,1,0,0,0,0|2,0,0]=3 782 B10R0.92 CP(=O)(O)CCC(O)C(=O)O Amb27000184 [0,1,0,0,0,0|3,0,0]=4 783 B10R0.92 CP(=O)(O)CC[C@H](N)C(=O)O Amb27001058 [0,1,0,0,0,0|2,0,0]=3 784 B10R0.92 CP(=O)(O)CC[C@H](N)C(N)=O Amb27671698 [0,1,0,0,0,0|3,0,0]=4 785 B10R0.92 CP(C)(=O)CC[C@H](N)C(=O)O Amb27671929 [0,1,0,0,0,0|2,0,0]=3 786 B10R0.92 CP(C)(=S)SCC(N)C(=O)O Amb27671765 [0,1,0,0,0,0|1,2,0]=4 787 B10R0.92 CS(=N)(=O)CCC(N)C(=O)O Amb2747058 [0,1,0,0,0,0|2,0,0]=3 788 B10R0.92 CS(=N)(=O)CC[C@H](N)C(=O)O Amb8514715 [0,1,0,0,0,0|2,0,0]=3 789 B10R0.92 CS(=O)(=O)CCC(N)C(=O)O Amb1905637 [0,1,0,0,0,0|2,0,0]=3 790 B10R0.92 CS(=O)(=O)CCC(N)C(N)=O Amb6261914 [0,1,0,0,0,0|3,0,0]=4 791 B10R0.92 CS(=O)(=O)CCC(N)C(N)=O Amb9178007 [0,1,0,0,0,0|3,0,0]=4 792 B10R0.92 CS(=O)(=O)CCC(O)C(=O)O Amb18129022 [0,1,0,0,0,0|3,0,0]=4 793 B10R0.92 CS(=O)(=O)CC[C@@H](N)C(=O)O Amb22745329 [0,1,0,0,0,0|2,0,0]=3 794 B10R0.92 CS(=O)(=O)CC[C@H](N)C(=O)O Amb9809971 [0,1,0,0,0,0|2,0,0]=3 795 B10R0.92 CS(=O)(=O)NC[C@H](O)C(=O)O Amb27670718 [0,1,0,0,0,0|3,0,0]=4 796 B10R0.92 CS(C)(Cl)CCC(N)C(=O)O Amb25384324 [0,1,0,0,0,0|3,0,0]=4 797 B10R0.92 C[S@@](=N)(=O)CC[C@H](N)C(=O)O Amb17616898 [0,1,0,0,0,0|2,0,0]=3 798 B10R0.92 C[S@](=N)(=O)CC[C@H](N)C(=O)O Amb17616899 [0,1,0,0,0,0|2,0,0]=3 799 B10R0.92 C[SH](=N)(O)CCC(N)C(=O)O Amb27673254 [0,1,0,0,0,0|2,0,1]=4 800 B10R0.92 NC(CCP(=O)(O)O)C(=O)O Amb542828 [0,1,0,0,0,0|3,0,0]=4 801 B10R0.92 NC(CCS(=O)(=O)Cl)C(=O)O Amb28079864 [0,1,0,0,0,0|3,0,0]=4 802 B10R0.92 NC(CCS(=O)(=O)O)C(=O)O Amb3940449 [0,1,0,0,0,0|3,0,0]=4 803 B10R0.92 NC(CCS(=O)(=O)S)C(=O)O Amb27990225 [0,1,0,0,0,0|3,0,0]=4 804 B10R0.92 NC(CCS(N)(=O)=O)C(=O)O Amb27271128 [0,1,0,0,0,0|3,0,0]=4 805 B10R0.92 NC(COC(F)(F)F)C(=O)O Amb19889009 [0,1,0,0,0,0|2,0,1]=4 806 B10R0.92 NC(COP(=O)(O)O)C(=O)O Amb6334849 [0,1,0,0,0,0|2,0,0]=3 807 B10R0.92 NC(CSS(=O)(=O)O)C(=O)O Amb25384388 [0,1,0,0,0,0|2,1,0]=4 808 B10R0.92 N[C@@H](CCP(=O)(O)O)C(=O)O Amb30666599 [0,1,0,0,0,0|3,0,0]=4 809 B10R0.92 N[C@@H](CCP(=O)(O)O)C(=O)O Amb544255 [0,1,0,0,0,0|3,0,0]=4 810 B10R0.92 N[C@@H](COP(=O)(O)O)C(=O)O Amb6600024 [0,1,0,0,0,0|2,0,0]=3 811 B10R0.92 N[C@@H](COS(=O)(=O)O)C(=O)O Amb22800081 [0,1,0,0,0,0|2,0,0]=3 812 B10R0.92 N[C@@H](CSP(=O)(O)O)C(=O)O Amb25385816 [0,1,0,0,0,0|2,1,0]=4 813 B10R0.92 N[C@@H](CSS(=O)(=O)O)C(=O)O Amb22348198 [0,1,0,0,0,0|2,1,0]=4 814 B10R0.92 N[C@H](CCP(=O)(O)O)C(=O)O Amb2719726 [0,1,0,0,0,0|3,0,0]=4 815 B10R0.92 N[C@H](CCS(=O)(=O)O)C(=O)O Amb27672864 [0,1,0,0,0,0|3,0,0]=4 816 B10R0.92 N[C@H](COC(F)(F)F)C(=O)O Amb22388407 [0,1,0,0,0,0|2,0,1]=4 817 B10R0.92 N[C@H](COP(=O)(O)O)C(=O)O Amb22231363 [0,1,0,0,0,0|2,0,0]=3 818 B10R0.92 N[C@H](COS(=O)(=O)O)C(=O)O Amb26660628 [0,1,0,0,0,0|2,0,0]=3 819 B10R0.92 O=C(O)[C@@H](O)COP(=O)(O)O Amb25386288 [0,1,0,0,0,0|3,0,0]=4 820 B10R0.92 O=C(O)[C@H](O)COP(=O)(O)O Amb6599982 [0,1,0,0,0,0|3,0,0]=4 821 B10R0.92 O=C(O)[C@H](O)COP(=O)([O-])[O-] Amb9825525 [0,1,0,0,0,0|3,0,0]=4 822 B10R0.93 C=C(CC(C)C(=O)O)C(=O)O Amb10844068 [0,1,0,0,0,0|3,0,0]=4 823 B10R0.93 C=C(CC(N)C(=O)O)C(=O)O Amb18126175 [0,1,0,0,0,0|2,0,0]=3 824 B10R0.93 C=C(CC(N)C(=O)O)C(=O)O Amb33734644 [0,1,0,0,0,0|2,0,0]=3 825 B10R0.93 C=C(C[C@@H](N)C(=O)O)C(=O)O Amb27990014 [0,1,0,0,0,0|2,0,0]=3 826 B10R0.93 CC(=O)C(=O)NC(C)C(=O)O Amb27878582 [0,1,0,0,0,0|3,0,0]=4 827 B10R0.93 CC(=O)C(=O)N[C@@H](C)C(=O)O Amb26652054 [0,1,0,0,0,0|3,0,0]=4 828 B10R0.93 CC(=O)C(C)CC(C)C(=O)O Amb4014440 [0,1,0,0,0,0|2,0,0]=3 829 B10R0.93 CC(=O)C(C)CC(C)C(C)=O Amb27672288 [0,1,0,0,0,0|3,0,0]=4 830 B10R0.93 CC(=O)C(C)SC(C)C(=O)O Amb28352063 [0,1,0,0,0,0|3,0,0]=4 831 B10R0.93 CC(=O)[C@@H](C)C[C@H](C)C(=O)O Amb27989934 [0,1,0,0,0,0|2,0,0]=3 832 B10R0.93 CC(C)C(=O)CC(N)C(=O)O Amb25385142 [0,1,0,0,0,0|2,0,1]=4 833 B10R0.93 CC(C)C(=O)C[C@@H](N)C(=O)O Amb28386948 [0,1,0,0,0,0|2,0,1]=4 834 B10R0.93 CC(C)C(=O)C[C@H](N)C(=O)O Amb25385141 [0,1,0,0,0,0|2,0,1]=4 835 B10R0.93 CC(C)C(C)CC(N)C(=O)O Amb28387309 [0,1,0,0,0,0|2,0,1]=4 836 B10R0.93 CC(C)C(C)C[C@@H](N)C(=O)O Amb28387332 [0,1,0,0,0,0|2,0,1]=4 837 B10R0.93 CC(C)C(C)C[C@H](N)C(=O)O Amb28387331 [0,1,0,0,0,0|2,0,1]=4 838 B10R0.93 CC(C)C(O)CC(N)C(=O)O Amb26081646 [0,1,0,0,0,0|2,0,1]=4 839 B10R0.93 CC(C)C(O)C[C@@H](N)C(=O)O Amb33065734 [0,1,0,0,0,0|2,0,1]=4 840 B10R0.93 CC(C)C(O)C[C@H](N)C(=O)O Amb33066238 [0,1,0,0,0,0|2,0,1]=4 841 B10R0.93 CC(C)[C@@H](C)C[C@H](N)C(=O)O Amb25384069 [0,1,0,0,0,0|2,0,1]=4 842 B10R0.93 CC(C)[C@@H](F)C[C@@H](N)C(=O)O Amb26660930 [0,1,0,0,0,0|2,0,1]=4 843 B10R0.93 CC(CC(=O)C(=O)O)C(=O)O Amb26660388 [0,1,0,0,0,0|3,0,0]=4 844 B10R0.93 CC(CC(C)C(=O)O)C(=O)O Amb4014252 [0,1,0,0,0,0|3,0,0]=4 845 B10R0.93 CC(CC(N)C(=O)O)C(=O)O Amb23440871 [0,1,0,0,0,0|2,0,0]=3 846 B10R0.93 CC(CN(C)S(C)=O)C(=O)O Amb27272523 [0,1,0,0,0,0|3,0,0]=4 847 B10R0.93 CC(C[C@@H](N)C(=O)O)C(=O)O Amb26999819 [0,1,0,0,0,0|2,0,0]=3 848 B10R0.93 CC(C[C@H](N)C(=O)O)C(=O)O Amb27000115 [0,1,0,0,0,0|2,0,0]=3 849 B10R0.93 C[C@@H](C[C@@H](C)C(=O)O)C(=O)O Amb27272288 [0,1,0,0,0,0|3,0,0]=4 850 B10R0.93 C[C@@H](C[C@@H](N)C(=O)O)C(=O)O Amb19133151 [0,1,0,0,0,0|2,0,0]=3 851 B10R0.93 C[C@@H](C[C@H](N)C(=O)O)C(N)=O Amb27990165 [0,1,0,0,0,0|2,0,0]=3 852 B10R0.93 C[C@H](C[C@H](N)C(=O)O)C(=O)O Amb10807462 [0,1,0,0,0,0|2,0,0]=3 853 B10R0.93 NC(=O)C(F)CC(N)C(=O)O Amb25386442 [0,1,0,0,0,0|2,0,0]=3 854 B10R0.93 NC(=O)C(F)C[C@H](N)C(=O)O Amb25383170 [0,1,0,0,0,0|2,0,0]=3 855 B10R0.93 NC(=O)C(O)C[C@H](N)C(=O)O Amb27990187 [0,1,0,0,0,0|2,0,0]=3 856 B10R0.93 NC(=O)[C@@H](F)C[C@@H](N)C(=O)O Amb10839752 [0,1,0,0,0,0|2,0,0]=3 857 B10R0.93 NC(=O)[C@@H](F)C[C@H](N)C(=O)O Amb10839753 [0,1,0,0,0,0|2,0,0]=3 858 B10R0.93 NC(=O)[C@@H](N)C[C@H](F)C(=O)O Amb10838207 [0,1,0,0,0,0|3,0,0]=4 859 B10R0.93 NC(=O)[C@H](F)C[C@@H](N)C(=O)O Amb25384972 [0,1,0,0,0,0|2,0,0]=3 860 B10R0.93 NC(=O)[C@H](F)C[C@H](N)C(=O)O Amb26083606 [0,1,0,0,0,0|2,0,0]=3 861 B10R0.93 NC(=O)[C@H](F)C[C@H](N)C(=O)O Amb33804028 [0,1,0,0,0,0|2,0,0]=3 862 B10R0.93 NC(CC(=O)C(=O)O)C(=O)O Amb27671651 [0,1,0,0,0,0|2,0,0]=3 863 B10R0.93 NC(CC(F)=C(F)F)C(=O)O Amb27823130 [0,1,0,0,0,0|3,0,0]=4 864 B10R0.93 NC(CC(F)C(=O)O)C(=O)O Amb2688100 [0,1,0,0,0,0|2,0,0]=3 865 B10R0.93 NC(CC(N)C(=O)O)C(=O)O Amb24117887 [0,1,0,0,0,0|2,0,0]=3 866 B10R0.93 NC(CC(N)C(=O)O)C(=O)O Amb3994432 [0,1,0,0,0,0|2,0,0]=3 867 B10R0.93 N[C@@H](CC(F)C(=O)O)C(=O)O Amb22800491 [0,1,0,0,0,0|2,0,0]=3 868 B10R0.93 N[C@@H](CC(O)C(=O)O)C(=O)O Amb27492043 [0,1,0,0,0,0|2,0,0]=3 869 B10R0.93 N[C@@H](C[C@@H](F)C(=O)O)C(=O)O Amb24055860 [0,1,0,0,0,0|2,0,0]=3 870 B10R0.93 N[C@@H](C[C@@H](N)C(=O)O)C(=O)O Amb22746048 [0,1,0,0,0,0|2,0,0]=3 871 B10R0.93 N[C@@H](C[C@@H](O)C(=O)O)C(=O)O Amb6600059 [0,1,0,0,0,0|2,0,0]=3 872 B10R0.93 N[C@@H](C[C@H](N)C(=O)O)C(=O)O Amb22388564 [0,1,0,0,0,0|2,0,0]=3 873 B10R0.93 N[C@@H](C[C@H](N)C(=O)O)C(=O)O Amb22745417 [0,1,0,0,0,0|2,0,0]=3 874 B10R0.93 N[C@@H](C[C@H](O)C(=O)O)C(=O)O Amb22800665 [0,1,0,0,0,0|2,0,0]=3 875 B10R0.93 N[C@@H](C[C@H](O)C(=O)O)C(=O)O Amb24117514 [0,1,0,0,0,0|2,0,0]=3 876 B10R0.93 N[C@H](C[C@@H](F)C(=O)O)C(=O)O Amb26083605 [0,1,0,0,0,0|2,0,0]=3 877 B10R0.93 N[C@H](C[C@@H](N)C(=O)O)C(=O)O Amb22388558 [0,1,0,0,0,0|2,0,0]=3 878 B10R0.93 N[C@H](C[C@H](F)C(=O)O)C(=O)O Amb10839750 [0,1,0,0,0,0|2,0,0]=3 879 B10R0.93 O=C(O)C(=O)CC(O)C(=O)O Amb17615458 [0,1,0,0,0,0|3,0,0]=4 880 B10R0.93 O=C(O)C(Br)CC(Br)C(=O)O Amb17621581 [0,1,0,0,0,0|3,0,0]=4 881 B10R0.93 O=C(O)[C@@H](S)C[C@@H](S)C(=O)O Amb27990019 [0,1,0,0,0,0|3,0,0]=4 882 B10R0.93 [NH3+]C(CC(O)C(=O)O)C(=O)[O-] Amb25385683 [0,1,0,0,0,0|3,0,0]=4 883 B10R1.13 C=C1CCC(C(=O)O)CC1 Amb15695314 [0,0,0,1,0,0|3,0,0]=4 884 B10R1.13 CC(=O)C1CCC(=O)CC1 Amb27597007 [0,0,0,1,0,0|3,0,0]=4 885 B10R1.13 CC(C)[C@H]1COC(=O)CN1 Amb27814618 [0,0,0,1,0,0|2,0,1]=4 886 B10R1.13 CC1=CCC(C(=O)O)CC1 Amb18124574 [0,0,0,1,0,0|3,0,0]=4 887 B10R1.13 CC1=CCC(C(=O)O)CN1 Amb2613014 [0,0,0,1,0,0|3,0,0]=4 888 B10R1.13 CC1CCC(C(=O)O)CO1 Amb29860383 [0,0,0,1,0,0|2,0,1]=4 889 B10R1.13 CC1CCC(C(=O)O)NC1 Amb25324436 [0,0,0,1,0,0|2,0,1]=4 890 B10R1.13 CC1CCC(C(=O)O)NC1 Amb33482831 [0,0,0,1,0,0|2,0,1]=4 891 B10R1.13 CC1CNC(C(=O)O)CN1 Amb28049378 [0,0,0,1,0,0|2,0,1]=4 892 B10R1.13 CC1CNC(C(=O)O)CO1 Amb26356239 [0,0,0,1,0,0|1,0,1]=3 893 B10R1.13 CC1CNC(C(=O)O)CO1 Amb32653486 [0,0,0,1,0,0|1,0,1]=3 894 B10R1.13 CC1CNC(C(N)=O)CO1 Amb27266230 [0,0,0,1,0,0|2,0,1]=4 895 B10R1.13 CC1OCC(C(=O)O)CO1 Amb25723862 [0,0,0,1,0,0|1,0,2]=4 896 B10R1.13 C[C@@H]1CC[C@@H](C(=O)O)NC1 Amb33017682 [0,0,0,1,0,0|2,0,1]=4 897 B10R1.13 C[C@@H]1CC[C@@H](C(=O)O)NC1 Amb33299403 [0,0,0,1,0,0|2,0,1]=4 898 B10R1.13 C[C@@H]1CC[C@H](C(=O)O)NC1 Amb33804580 [0,0,0,1,0,0|2,0,1]=4 899 B10R1.13 C[C@@H]1CN[C@@H](C(=O)O)CO1 Amb25949341 [0,0,0,1,0,0|1,0,1]=3 900 B10R1.13 C[C@@H]1CN[C@@H](C(=O)O)CO1 Amb31156297 [0,0,0,1,0,0|1,0,1]=3 901 B10R1.13 C[C@@H]1CN[C@H](C(=O)O)CO1 Amb24694579 [0,0,0,1,0,0|1,0,1]=3 902 B10R1.13 C[C@@H]1CN[C@H](C(=O)O)CO1 Amb32661059 [0,0,0,1,0,0|1,0,1]=3 903 B10R1.13 C[C@H]1CN[C@@H](C(=O)O)CO1 Amb28367492 [0,0,0,1,0,0|1,0,1]=3 904 B10R1.13 C[C@H]1CN[C@H](C(=O)O)CO1 Amb35746793 [0,0,0,1,0,0|1,0,1]=3 905 B10R1.13 NC(=O)C1CCC(=O)CC1 Amb21964140 [0,0,0,1,0,0|3,0,0]=4 906 B10R1.13 NC(=O)C1CCC(=O)NC1 Amb20668378 [0,0,0,1,0,0|3,0,0]=4 907 B10R1.13 NC(=O)C1CNC(=O)CN1 Amb26400442 [0,0,0,1,0,0|2,0,0]=3 908 B10R1.13 NC(=O)C1CNC(=O)CN1 Amb33482851 [0,0,0,1,0,0|2,0,0]=3 909 B10R1.13 NC1=NCC(C(=O)O)CC1 Amb27760065 [0,0,0,1,0,0|3,0,0]=4 910 B10R1.13 NC1=NCC(C(=O)O)CC1 Amb28555528 [0,0,0,1,0,0|3,0,0]=4 911 B10R1.13 O=C(O)C1CC=C(Br)CC1 Amb26015030 [0,0,0,1,0,0|3,0,0]=4 912 B10R1.13 O=C(O)C1CC=C(F)CC1 Amb27628828 [0,0,0,1,0,0|3,0,0]=4 913 B10R1.13 O=C(O)C1CCC(O)CN1 Amb22034512 [0,0,0,1,0,0|1,0,2]=4 914 B10R1.13 O=C(O)C1CCC(O)CN1 Amb5719819 [0,0,0,1,0,0|1,0,2]=4 915 B10R1.13 O=C(O)C1CCS(=O)CC1 Amb25295426 [0,0,0,1,0,0|3,0,0]=4 916 B10R1.13 O=C(O)C1CNC(O)CN1 Amb25332404 [0,0,0,1,0,0|1,0,2]=4 917 B10R1.13 O=C(O)[C@@H]1CC[C@@H](F)CN1 Amb24763804 [0,0,0,1,0,0|2,0,1]=4 918 B10R1.13 O=C(O)[C@@H]1CC[C@@H](F)CN1 Amb35752872 [0,0,0,1,0,0|2,0,1]=4 919 B10R1.13 O=C(O)[C@@H]1CC[C@@H](O)CN1 Amb24120629 [0,0,0,1,0,0|1,0,2]=4 920 B10R1.13 O=C(O)[C@@H]1CC[C@@H](O)CN1 Amb2697173 [0,0,0,1,0,0|1,0,2]=4 921 B10R1.13 O=C(O)[C@@H]1CC[C@H](O)CN1 Amb28132662 [0,0,0,1,0,0|1,0,2]=4 922 B10R1.13 O=C(O)[C@@H]1CC[C@H](O)CN1 Amb33726118 [0,0,0,1,0,0|1,0,2]=4 923 B10R1.13 O=C(O)[C@H]1CC[C@@H](O)CN1 Amb23440007 [0,0,0,1,0,0|1,0,2]=4 924 B10R1.13 O=C(O)[C@H]1CC[C@@H](O)CN1 Amb23440183 [0,0,0,1,0,0|1,0,2]=4 925 B10R1.13 O=C(O)[C@H]1CC[C@H](O)CN1 Amb26401050 [0,0,0,1,0,0|1,0,2]=4 926 B10R1.13 O=C1CCC(C(=O)Cl)CC1 Amb10071440 [0,0,0,1,0,0|3,0,0]=4 927 B10R1.13 O=C1CCC(C(=O)O)CC1 Amb5719059 [0,0,0,1,0,0|2,0,0]=3 928 B10R1.13 O=C1CCC(C(=O)O)CN1 Amb8503400 [0,0,0,1,0,0|2,0,0]=3 929 B10R1.13 O=C1CCC(C(=O)O)CN1 Amb9721708 [0,0,0,1,0,0|2,0,0]=3 930 B10R1.13 O=C1CCC(C(=O)O)NC1 Amb21960863 [0,0,0,1,0,0|1,0,0]=2 931 B10R1.13 O=C1CCC(C(=O)O)NC1 Amb5719827 [0,0,0,1,0,0|1,0,0]=2 932 B10R1.13 O=C1CCC(C(=O)O)NN1 Amb23441127 [0,0,0,1,0,0|2,0,0]=3 933 B10R1.13 O=C1CCC(C(=O)O)SC1 Amb23596925 [0,0,0,1,0,0|2,0,0]=3 934 B10R1.13 O=C1CC[C@@H](C(=O)O)CN1 Amb26878933 [0,0,0,1,0,0|2,0,0]=3 935 B10R1.13 O=C1CC[C@@H](C(=O)O)NC1 Amb24655763 [0,0,0,1,0,0|1,0,0]=2 936 B10R1.13 O=C1CC[C@@H](C(=O)O)NC1 Amb31291189 [0,0,0,1,0,0|1,0,0]=2 937 B10R1.13 O=C1CC[C@H](C(=O)O)CN1 Amb26515676 [0,0,0,1,0,0|2,0,0]=3 938 B10R1.13 O=C1CC[C@H](C(=O)O)NC1 Amb27648107 [0,0,0,1,0,0|1,0,0]=2 939 B10R1.13 O=C1CC[C@H](C(=O)O)NC1 Amb31291190 [0,0,0,1,0,0|1,0,0]=2 940 B10R1.13 O=C1CNC(C(=O)O)CN1 Amb22235954 [0,0,0,1,0,0|1,0,0]=2 941 B10R1.13 O=C1CNC(C(=O)O)CN1 Amb22641428 [0,0,0,1,0,0|1,0,0]=2 942 B10R1.13 O=C1CN[C@@H](C(=O)O)CN1 Amb24423079 [0,0,0,1,0,0|1,0,0]=2 943 B10R1.13 O=C1CN[C@H](C(=O)O)CN1 Amb22756547 [0,0,0,1,0,0|1,0,0]=2 944 B10R1.13 O=C1COC(C(=O)O)CN1 Amb27872662 [0,0,0,1,0,0|2,0,0]=3 945 B10R1.13 O=C1NCC(C(=O)O)CN1 Amb27469166 [0,0,0,1,0,0|3,0,0]=4 946 B10R1.58 CC(=O)C1CC(=O)C(C)C1 Amb26936800 [0,0,0,1,0,0|3,0,0]=4 947 B10R1.58 CC(O)[C@H]1C[C@H](N)C(=O)O1 Amb27782386 [0,0,0,1,0,0|1,0,2]=4 948 B10R1.58 CC1CC(C(=O)O)OC1=O Amb27836333 [0,0,0,1,0,0|3,0,0]=4 949 B10R1.58 CC1C[C@@H](C(=O)O)OC1=O Amb27615055 [0,0,0,1,0,0|3,0,0]=4 950 B10R1.58 C[C@H]1C[C@@H](C(=O)Cl)OC1=O Amb27255383 [0,0,0,1,0,0|3,0,0]=4 951 B10R1.58 NC1CC(C(=O)O)OC1=O Amb25147458 [0,0,0,1,0,0|2,0,0]=3 952 B10R1.58 N[C@H]1C[C@@H](C(=O)O)OC1=O Amb27782562 [0,0,0,1,0,0|2,0,0]=3 953 B10R1.58 N[C@H]1C[C@@H](C(=O)O)SC1=O Amb27486281 [0,0,0,1,0,0|2,1,0]=4 954 B10R1.58 O=C(O)[C@@H]1C[C@@H](Br)C(=O)O1 Amb28436779 [0,0,0,1,0,0|3,0,0]=4 955 B10R1.58 O=C1O[C@H](C(=O)O)C[C@@H]1O Amb25230626 [0,0,0,1,0,0|3,0,0]=4 956 B10R1.80 CC(=O)OC1NC(=O)C1Br Amb27602251 [0,0,0,1,0,0|2,0,0]=3 957 B10R1.80 CC(=O)OC1NC(=O)C1N Amb27838093 [0,0,0,1,0,0|1,0,0]=2 958 B10R1.80 CC(=O)O[C@H]1NC(=O)[C@@H]1Cl Amb27659300 [0,0,0,1,0,0|2,0,0]=3 959 B10R1.81 CC1CC(C(N)C(=O)O)C1 Amb35666631 [0,0,0,1,0,0|2,0,1]=4 960 B10R1.81 NC(C(=O)O)C1CC(F)C1 Amb34162536 [0,0,0,1,0,0|2,0,1]=4 961 B10R1.117 CC(=O)OC[C@H]1CC[C@H]1O Amb27465735 [0,0,0,1,0,0|2,0,1]=4 962 B10R1.147 CC1(C)CCC(N)C(=O)O1 Amb27789981 [0,0,0,1,0,0|2,0,1]=4 963 B10R1.147 CC1(C)CC[C@H](N)C(=O)O1 Amb27855723 [0,0,0,1,0,0|2,0,1]=4 964 B10R1.190 C=C1CC1CC(N)C(=O)O Amb24117524 [0,0,0,1,0,0|2,0,0]=3 965 B10R1.190 C=C1CC1C[C@@H](N)C(=O)O Amb24640688 [0,0,0,1,0,0|2,0,0]=3 966 B10R1.190 C=C1C[C@@H]1C[C@H](N)C(=O)O Amb17615983 [0,0,0,1,0,0|2,0,0]=3 967 B10R1.190 CC1CC1CC(N)C(=O)O Amb25147396 [0,0,0,1,0,0|2,0,1]=4 968 B10R1.190 CC1CC1C[C@@H](N)C(=O)O Amb33036595 [0,0,0,1,0,0|2,0,1]=4 969 B10R1.190 CC1CC1C[C@H](N)C(=O)O Amb25305763 [0,0,0,1,0,0|2,0,1]=4 970 B10R1.190 CC1SC1CC(N)C(=O)O Amb28143562 [0,0,0,1,0,0|1,1,1]=4 971 B10R1.190 C[C@@H]1O[C@H]1C[C@H](N)C(=O)O Amb27421923 [0,0,0,1,0,0|1,0,2]=4 972 B10R1.190 C[C@H]1O[C@H]1C[C@H](N)C(=O)O Amb27254136 [0,0,0,1,0,0|1,0,2]=4 973 B10R1.190 NC(C[C@@H]1C[C@H]1N)C(=O)O Amb27783818 [0,0,0,1,0,0|2,0,1]=4 974 B10R1.190 N[C@@H](CC1CC1=O)C(=O)O Amb28315789 [0,0,0,1,0,0|1,0,0]=2 975 B10R1.190 N[C@H](C[C@@H]1C[C@H]1N)C(=O)O Amb27194166 [0,0,0,1,0,0|2,0,1]=4 976 B10R1.205 NC(CCC1CC1)C(=O)O Amb18831582 [0,0,0,1,0,0|2,0,1]=4 977 B10R1.205 NC(CNC1CC1)C(=O)O Amb27668994 [0,0,0,1,0,0|2,0,1]=4 978 B10R1.205 N[C@@H](CCC1CC1)C(=O)O Amb25236249 [0,0,0,1,0,0|2,0,1]=4 979 B10R1.205 N[C@H](CCC1CC1)C(=O)O Amb27801629 [0,0,0,1,0,0|2,0,1]=4 980 B10R1.332 O=C1CCC(=O)C(O)CN1 Amb27184436 [0,0,0,1,0,0|3,0,0]=4 981 B10R1.349 C=C(O)C1CC(C(=O)O)N1 Amb27397366 [0,0,0,1,0,0|1,0,2]=4 982 B10R1.349 CC(=O)C1CC(C(=O)O)C1 Amb25113879 [0,0,0,1,0,0|2,0,0]=3 983 B10R1.349 CC(=O)N1CC(C(=O)O)C1 Amb33545591 [0,0,0,1,0,0|2,0,0]=3 984 B10R1.349 CC(=O)N1CC(C(N)=O)C1 Amb22643533 [0,0,0,1,0,0|3,0,0]=4 985 B10R1.349 NC(=O)C1CC(C(=O)O)N1 Amb27872340 [0,0,0,1,0,0|2,0,0]=3 986 B10R1.349 NC(=O)C1CC(C(N)=O)N1 Amb27838142 [0,0,0,1,0,0|3,0,0]=4 987 B10R1.349 NC(=O)N1CC(C(=O)O)C1 Amb25990817 [0,0,0,1,0,0|3,0,0]=4 988 B10R1.349 NC(=O)[C@@H]1C[C@H](C(=O)O)N1 Amb27186909 [0,0,0,1,0,0|2,0,0]=3 989 B10R1.349 NC(=O)[C@@H]1C[C@H](C(N)=O)N1 Amb24540472 [0,0,0,1,0,0|3,0,0]=4 990 B10R1.349 NC(=O)[C@H]1C[C@@H](C(=O)O)N1 Amb27961402 [0,0,0,1,0,0|2,0,0]=3 991 B10R1.349 O=C(O)C1CC(C(=O)O)C1 Amb19958786 [0,0,0,1,0,0|3,0,0]=4 992 B10R1.349 O=C(O)C1CC(C(=O)O)N1 Amb28318335 [0,0,0,1,0,0|2,0,0]=3 993 B10R1.349 O=C(O)[C@@H]1C[C@@H](C(=O)O)N1 Amb8515688 [0,0,0,1,0,0|2,0,0]=3 994 B10R1.349 O=C(O)[C@@H]1C[C@H](C(=O)O)N1 Amb8515686 [0,0,0,1,0,0|2,0,0]=3 995 B10R1.349 O=C(O)[C@H]1C[C@@H](C(=O)O)C1 Amb7970125 [0,0,0,1,0,0|3,0,0]=4 996 B10R1.349 O=C(O)[C@H]1C[C@H](C(=O)O)C1 Amb19514892 [0,0,0,1,0,0|3,0,0]=4 997 B10R1.349 O=C(O)[C@H]1C[C@H](C(=O)O)N1 Amb8515687 [0,0,0,1,0,0|2,0,0]=3 998 B10R1.359 CC1(C)CC(C(=O)O)CO1 Amb24312661 [0,0,0,1,0,0|2,0,1]=4 999 B10R1.359 CC1(C)CCC(C(=O)O)N1 Amb17593611 [0,0,0,1,0,0|2,0,1]=4 1000 B10R1.359 CC1(C)CCC(C(=O)O)N1 Amb22755806 [0,0,0,1,0,0|2,0,1]=4 1001 B10R1.359 CC1(C)NC(C(=O)O)CS1 Amb1155998 [0,0,0,1,0,0|1,1,1]=4 1002 B10R1.359 CC1(C)NC(C(=O)O)CS1 Amb9749517 [0,0,0,1,0,0|1,1,1]=4 1003 B10R1.359 CC1(C)N[C@H](C(=O)O)CO1 Amb27483148 [0,0,0,1,0,0|1,0,1]=3 1004 B10R1.359 CC1(C)N[C@H](C(=O)O)CS1 Amb2719501 [0,0,0,1,0,0|1,1,1]=4 1005 B10R1.359 CC1(C)N[C@H](C(=O)O)CS1 Amb29838195 [0,0,0,1,0,0|1,1,1]=4 1006 B10R1.359 CC1(C)OCC(C(=O)O)O1 Amb10603493 [0,0,0,1,0,0|2,0,1]=4 1007 B10R1.359 CC1(C)OCC(C(=O)O)O1 Amb33719324 [0,0,0,1,0,0|2,0,1]=4 1008 B10R1.359 CC1(C)OC[C@@H](C(=O)O)O1 Amb24411495 [0,0,0,1,0,0|2,0,1]=4 1009 B10R1.359 CC1(C)OC[C@H](C(=O)O)O1 Amb22745866 [0,0,0,1,0,0|2,0,1]=4 1010 B10R1.359 CP1(=O)CCC(C(=O)O)N1 Amb28436164 [0,0,0,1,0,0|2,0,0]=3 1011 B10R1.359 O=C(O)C1CCS(=O)(=O)N1 Amb19888363 [0,0,0,1,0,0|3,0,0]=4 1012 B10R1.359 O=C(O)C1COS(=O)(=O)N1 Amb27837946 [0,0,0,1,0,0|2,0,0]=3 1013 B10R1.359 O=C(O)[C@@H]1CCS(=O)(=O)N1 Amb27272810 [0,0,0,1,0,0|3,0,0]=4 1014 B10R1.359 O=C(O)[C@H]1CCS(=O)(=O)N1 Amb27600587 [0,0,0,1,0,0|3,0,0]=4 1015 B10R1.360 CC(=O)[C@@H]1C[C@]1(C)C(C)=O Amb27844205 [0,0,0,1,0,0|3,0,0]=4 1016 B10R1.360 CC(C)C1CC1(N)C(=O)O Amb24477051 [0,0,0,1,0,0|2,0,1]=4 1017 B10R1.360 CC(C)[C@@H]1C[C@@]1(N)C(=O)O Amb23452874 [0,0,0,1,0,0|2,0,1]=4 1018 B10R1.360 CC(C)[C@@H]1C[C@]1(N)C(=O)O Amb23452873 [0,0,0,1,0,0|2,0,1]=4 1019 B10R1.360 CC(C)[C@H]1C[C@@]1(N)C(=O)O Amb26968202 [0,0,0,1,0,0|2,0,1]=4 1020 B10R1.360 CC(C)[C@H]1C[C@]1(N)C(=O)O Amb27961206 [0,0,0,1,0,0|2,0,1]=4 1021 B10R1.360 CC1(C(=O)O)CC1C(=O)O Amb612291 [0,0,0,1,0,0|3,0,0]=4 1022 B10R1.360 C[C@@]1(C(=O)O)C[C@@H]1C(=O)O Amb24598825 [0,0,0,1,0,0|3,0,0]=4 1023 B10R1.360 C[C@]1(C(=O)O)C[C@@H]1C(=O)O Amb27420123 [0,0,0,1,0,0|3,0,0]=4 1024 B10R1.360 C[C@]1(C(=O)O)C[C@H]1C(=O)O Amb27969184 [0,0,0,1,0,0|3,0,0]=4 1025 B10R1.360 NC1(C(=O)O)CC1C(=O)O Amb25124900 [0,0,0,1,0,0|2,0,0]=3 1026 B10R1.360 N[C@@]1(C(=O)O)C[C@H]1C(=O)O Amb24515142 [0,0,0,1,0,0|2,0,0]=3 1027 B10R1.360 N[C@]1(C(=O)O)C[C@H]1C(=O)O Amb23452828 [0,0,0,1,0,0|2,0,0]=3 1028 B10R1.360 O=C(O)C1CC1(Br)C(=O)O Amb27770448 [0,0,0,1,0,0|3,0,0]=4 1029 B10R1.360 O=C(O)C1CC1(Cl)C(=O)O Amb27838075 [0,0,0,1,0,0|3,0,0]=4 1030 B10R1.360 O=C(O)C1CC1(O)C(=O)O Amb27975726 [0,0,0,1,0,0|3,0,0]=4 1031 B10R1.360 O=C(O)[C@@H]1C[C@@]1(Br)C(=O)O Amb27213790 [0,0,0,1,0,0|3,0,0]=4 1032 B10R1.360 O=C(O)[C@H]1C[C@@]1(Br)C(=O)O Amb27969089 [0,0,0,1,0,0|3,0,0]=4 1033 B10R1.360 O=C(O)[C@H]1C[C@@]1(Cl)C(=O)O Amb27984863 [0,0,0,1,0,0|3,0,0]=4 1034 B10R1.368 CC(=O)NC1CC1C(=O)O Amb18831601 [0,0,0,1,0,0|2,0,0]=3 1035 B10R1.368 CC(=O)NC1CC1C(C)=O Amb18831758 [0,0,0,1,0,0|3,0,0]=4 1036 B10R1.368 CC(=O)OC1CC1C(C)=O Amb27954052 [0,0,0,1,0,0|2,0,0]=3 1037 B10R1.368 CC(C)=CC1CC1C(=O)O Amb28126961 [0,0,0,1,0,0|3,0,0]=4 1038 B10R1.368 CC(C)=C[C@H]1C[C@@H]1C(=O)O Amb27627967 [0,0,0,1,0,0|3,0,0]=4 1039 B10R1.368 O=C(O)CC1OC1C(=O)O Amb28146420 [0,0,0,1,0,0|3,0,0]=4 1040 B10R1.368 O=C(O)C[C@@H]1O[C@@H]1C(=O)O Amb27254162 [0,0,0,1,0,0|3,0,0]=4 1041 B10R1.470 C=C1CCC(C)(C(=O)O)C1 Amb25789474 [0,0,0,1,0,0|3,0,0]=4 1042 B10R1.470 C=C1CCC(O)(C(=O)O)C1 Amb27620508 [0,0,0,1,0,0|3,0,0]=4 1043 B10R1.470 CC(=O)C1(C)CCC(=O)C1 Amb25146569 [0,0,0,1,0,0|3,0,0]=4 1044 B10R1.470 CC1(C(=O)O)CCC(=O)C1 Amb23454199 [0,0,0,1,0,0|2,0,0]=3 1045 B10R1.470 CC1(C(=O)O)CCC(=O)N1 Amb33545084 [0,0,0,1,0,0|3,0,0]=4 1046 B10R1.470 CC1(C(=O)O)CCC(=O)O1 Amb9783335 [0,0,0,1,0,0|3,0,0]=4 1047 B10R1.470 CC1(C(=O)O)CNC(=O)C1 Amb22546311 [0,0,0,1,0,0|2,0,0]=3 1048 B10R1.470 CC1(C(=O)O)CNC(=O)N1 Amb33745555 [0,0,0,1,0,0|3,0,0]=4 1049 B10R1.470 CC1(C(=O)O)CNC(=O)O1 Amb33736385 [0,0,0,1,0,0|3,0,0]=4 1050 B10R1.470 CC1(C(=O)O)COC(=O)N1 Amb27838110 [0,0,0,1,0,0|2,0,0]=3 1051 B10R1.470 CC1(C(=O)O)COC(=O)O1 Amb28422351 [0,0,0,1,0,0|2,0,0]=3 1052 B10R1.470 CC1=CCC(C)(C(=O)O)N1 Amb17593567 [0,0,0,1,0,0|3,0,0]=4 1053 B10R1.470 CC1=CCC(O)(C(=O)O)C1 Amb28067642 [0,0,0,1,0,0|3,0,0]=4 1054 B10R1.470 CC1=NC(C)(C(=O)O)CS1 Amb27837949 [0,0,0,1,0,0|2,1,0]=4 1055 B10R1.470 CC1=N[C@](C)(C(=O)O)CS1 Amb28384082 [0,0,0,1,0,0|2,1,0]=4 1056 B10R1.470 CC1CC(C)(C(=O)O)CO1 Amb32654901 [0,0,0,1,0,0|2,0,1]=4 1057 B10R1.470 CC1CC(N)(C(=O)O)CO1 Amb30010992 [0,0,0,1,0,0|1,0,1]=3 1058 B10R1.470 CC1CC(N)(C(N)=O)CO1 Amb30010757 [0,0,0,1,0,0|2,0,1]=4 1059 B10R1.470 CC1CC(O)(C(=O)O)CO1 Amb29850198 [0,0,0,1,0,0|2,0,1]=4 1060 B10R1.470 CC1CCC(N)(C(=O)O)C1 Amb2695735 [0,0,0,1,0,0|2,0,1]=4 1061 B10R1.470 CC1CCC(N)(C(=O)O)C1 Amb31188353 [0,0,0,1,0,0|2,0,1]=4 1062 B10R1.470 C[C@@H]1CC[C@@](N)(C(=O)O)C1 Amb24373352 [0,0,0,1,0,0|2,0,1]=4 1063 B10R1.470 C[C@@]1(C(=O)O)CCC(=O)N1 Amb28126701 [0,0,0,1,0,0|3,0,0]=4 1064 B10R1.470 C[C@@]1(C(=O)O)CCC(=O)O1 Amb28067769 [0,0,0,1,0,0|3,0,0]=4 1065 B10R1.470 C[C@@]1(C(=O)O)COC(=O)O1 Amb27467542 [0,0,0,1,0,0|2,0,0]=3 1066 B10R1.470 C[C@H]1CC[C@@](N)(C(=O)O)C1 Amb27622425 [0,0,0,1,0,0|2,0,1]=4 1067 B10R1.470 C[C@H]1C[C@](N)(C(=O)O)CS1 Amb27439498 [0,0,0,1,0,0|1,1,1]=4 1068 B10R1.470 C[C@]1(C(=O)O)CCC(=O)O1 Amb27881875 [0,0,0,1,0,0|3,0,0]=4 1069 B10R1.470 NC1(C(=O)O)CCC(O)C1 Amb26331332 [0,0,0,1,0,0|1,0,2]=4 1070 B10R1.470 NC1(C(=O)O)CCC(O)C1 Amb33456869 [0,0,0,1,0,0|1,0,2]=4 1071 B10R1.470 NC1(C(=O)O)CCS(=O)C1 Amb26884927 [0,0,0,1,0,0|2,0,0]=3 1072 B10R1.470 N[C@@]1(C(=O)O)CC[C@@H](O)C1 Amb10066916 [0,0,0,1,0,0|1,0,2]=4 1073 B10R1.470 N[C@]1(C(=O)O)CC[C@H](O)C1 Amb35745821 [0,0,0,1,0,0|1,0,2]=4 1074 B10R1.470 O=C1CCC(O)(C(=O)O)O1 Amb28050065 [0,0,0,1,0,0|3,0,0]=4 1075 B10R1.470 O=C1C[C@@](O)(C(=O)O)CO1 Amb25084490 [0,0,0,1,0,0|1,0,0]=2 1076 B8R0.23 BC(CC(=O)O)C(=O)O Amb28287358 [0,0,0,0,1,0|2,0,0]=3 1077 B8R0.23 C=C(Br)CC(N)C(=O)O Amb24557771 [0,0,0,0,1,0|1,0,1]=3 1078 B8R0.23 C=C(Br)C[C@@H](N)C(=O)O Amb22746251 [0,0,0,0,1,0|1,0,1]=3 1079 B8R0.23 C=C(Br)C[C@H](N)C(=O)O Amb25918807 [0,0,0,0,1,0|1,0,1]=3 1080 B8R0.23 C=C(C)C(C)CC(C)=O Amb27607290 [0,0,0,0,1,0|3,0,0]=4 1081 B8R0.23 C=C(C)C(N)CC(=O)O Amb2697570 [0,0,0,0,1,0|3,0,0]=4 1082 B8R0.23 C=C(C)C(N)CC(N)=O Amb24401112 [0,0,0,0,1,0|3,0,0]=4 1083 B8R0.23 C=C(C)C(O)CC(C)=O Amb27605750 [0,0,0,0,1,0|3,0,0]=4 1084 B8R0.23 C=C(C)CC(=O)C(=O)O Amb28073130 [0,0,0,0,1,0|2,0,1]=4 1085 B8R0.23 C=C(C)CC(C)C(=O)O Amb24471924 [0,0,0,0,1,0|2,0,0]=3 1086 B8R0.23 C=C(C)CC(C)C(C)=O Amb28203090 [0,0,0,0,1,0|3,0,0]=4 1087 B8R0.23 C=C(C)CC(Cl)C(C)=O Amb27458140 [0,0,0,0,1,0|3,0,0]=4 1088 B8R0.23 C=C(C)CC(N)C(=O)O Amb6280366 [0,0,0,0,1,0|1,0,0]=2 1089 B8R0.23 C=C(C)CC(N)C(N)=O Amb26326676 [0,0,0,0,1,0|2,0,0]=3 1090 B8R0.23 C=C(C)CC(O)C(=O)O Amb24534477 [0,0,0,0,1,0|2,0,0]=3 1091 B8R0.23 C=C(C)C[C@@H](C)C(=O)O Amb24340253 [0,0,0,0,1,0|2,0,0]=3 1092 B8R0.23 C=C(C)C[C@@H](N)C(=O)O Amb22801689 [0,0,0,0,1,0|1,0,0]=2 1093 B8R0.23 C=C(C)C[C@H](C)C(=O)O Amb10843988 [0,0,0,0,1,0|2,0,0]=3 1094 B8R0.23 C=C(C)C[C@H](N)C(=O)O Amb25757900 [0,0,0,0,1,0|1,0,0]=2 1095 B8R0.23 C=C(C)OC(C)C(C)=O Amb27838756 [0,0,0,0,1,0|3,0,0]=4 1096 B8R0.23 C=C(C)[C@@H](O)CC(C)=O Amb26477424 [0,0,0,0,1,0|3,0,0]=4 1097 B8R0.23 C=C(C)[C@H](O)CC(C)=O Amb27409964 [0,0,0,0,1,0|3,0,0]=4 1098 B8R0.23 C=C(CC(=O)O)C(=O)O Amb6608656 [0,0,0,0,1,0|2,0,1]=4 1099 B8R0.23 C=C(Cl)CC(N)C(=O)O Amb24411473 [0,0,0,0,1,0|1,0,1]=3 1100 B8R0.23 C=C(Cl)CC(N)C(=O)O Amb28935021 [0,0,0,0,1,0|1,0,1]=3 1101 B8R0.23 C=C(Cl)CC(N)C(N)=O Amb33308519 [0,0,0,0,1,0|2,0,1]=4 1102 B8R0.23 C=C(Cl)C[C@@H](N)C(=O)O Amb32660529 [0,0,0,0,1,0|1,0,1]=3 1103 B8R0.23 C=C(Cl)C[C@@H](N)C(=O)O Amb32660530 [0,0,0,0,1,0|1,0,1]=3 1104 B8R0.23 C=C(Cl)C[C@H](N)C(=O)O Amb28059492 [0,0,0,0,1,0|1,0,1]=3 1105 B8R0.23 C=C(Cl)C[C@H](N)C(=O)O Amb32656263 [0,0,0,0,1,0|1,0,1]=3 1106 B8R0.23 C=C(F)CC(C)C(=O)O Amb27975781 [0,0,0,0,1,0|2,0,1]=4 1107 B8R0.23 C=C(F)CC(Cl)C(=O)O Amb27876022 [0,0,0,0,1,0|2,0,1]=4 1108 B8R0.23 C=C(F)C[C@@H](N)C(=O)O Amb27771842 [0,0,0,0,1,0|1,0,1]=3 1109 B8R0.23 C=C(NC(C)=O)C(=O)O Amb8513049 [0,0,0,0,1,0|2,0,1]=4 1110 B8R0.23 C=C(OC(C)=O)C(C)=O Amb27838658 [0,0,0,0,1,0|2,0,1]=4 1111 B8R0.23 CC(=O)C(Br)CC(=O)O Amb27834306 [0,0,0,0,1,0|3,0,0]=4 1112 B8R0.23 CC(=O)C(C)CC(=O)O Amb18292788 [0,0,0,0,1,0|3,0,0]=4 1113 B8R0.23 CC(=O)C(N)CC(=O)O Amb2697582 [0,0,0,0,1,0|2,0,0]=3 1114 B8R0.23 CC(=O)C(N)CC(N)=O Amb24409504 [0,0,0,0,1,0|2,0,0]=3 1115 B8R0.23 CC(=O)C(O)CC(=O)O Amb25341886 [0,0,0,0,1,0|3,0,0]=4 1116 B8R0.23 CC(=O)CC(=O)C(=O)O Amb18642736 [0,0,0,0,1,0|1,0,1]=3 1117 B8R0.23 CC(=O)CC(=O)C(C)=O Amb25806867 [0,0,0,0,1,0|2,0,1]=4 1118 B8R0.23 CC(=O)CC(C)C(=O)O Amb3939893 [0,0,0,0,1,0|1,0,0]=2 1119 B8R0.23 CC(=O)CC(C)C(C)=O Amb26490545 [0,0,0,0,1,0|2,0,0]=3 1120 B8R0.23 CC(=O)CC(C)[N+](=O)[O-] Amb27210764 [0,0,0,0,1,0|2,0,1]=4 1121 B8R0.23 CC(=O)CC(N)C(=O)O Amb18832532 [0,0,0,0,1,0|0,0,0]=1 1122 B8R0.23 CC(=O)CC(N)C(=O)O Amb22546289 [0,0,0,0,1,0|0,0,0]=1 1123 B8R0.23 CC(=O)CC(N)C(C)C Amb27409984 [0,0,0,0,1,0|2,0,1]=4 1124 B8R0.23 CC(=O)CC(N)C(N)=O Amb27485103 [0,0,0,0,1,0|1,0,0]=2 1125 B8R0.23 CC(=O)CC(O)C(=O)O Amb22500917 [0,0,0,0,1,0|1,0,0]=2 1126 B8R0.23 CC(=O)CN(C)C(C)=O Amb27267241 [0,0,0,0,1,0|3,0,0]=4 1127 B8R0.23 CC(=O)C[C@@H](N)C(=O)O Amb22745939 [0,0,0,0,1,0|0,0,0]=1 1128 B8R0.23 CC(=O)C[C@@H](O)C(=O)O Amb26845481 [0,0,0,0,1,0|1,0,0]=2 1129 B8R0.23 CC(=O)C[C@H](C)C(=O)O Amb26318005 [0,0,0,0,1,0|1,0,0]=2 1130 B8R0.23 CC(=O)C[C@H](C)C(C)=O Amb28051038 [0,0,0,0,1,0|2,0,0]=3 1131 B8R0.23 CC(=O)C[C@H](N)C(=O)O Amb27832342 [0,0,0,0,1,0|0,0,0]=1 1132 B8R0.23 CC(=O)C[C@H](O)C(=O)O Amb24358758 [0,0,0,0,1,0|1,0,0]=2 1133 B8R0.23 CC(=O)NC(Br)C(C)=O Amb28285135 [0,0,0,0,1,0|3,0,0]=4 1134 B8R0.23 CC(=O)NC(C)C(=O)O Amb9745652 [0,0,0,0,1,0|2,0,0]=3 1135 B8R0.23 CC(=O)NC(C)C(C)=O Amb3093787 [0,0,0,0,1,0|3,0,0]=4 1136 B8R0.23 CC(=O)NC(C)C(N)=O Amb4018750 [0,0,0,0,1,0|3,0,0]=4 1137 B8R0.23 CC(=O)N[C@@H](C)C(=O)O Amb8390375 [0,0,0,0,1,0|2,0,0]=3 1138 B8R0.23 CC(=O)N[C@@H](C)C(N)=O Amb22168264 [0,0,0,0,1,0|3,0,0]=4 1139 B8R0.23 CC(=O)N[C@H](C)C(=O)O Amb19944277 [0,0,0,0,1,0|2,0,0]=3 1140 B8R0.23 CC(=O)OC(=O)C(C)=O Amb26528827 [0,0,0,0,1,0|2,0,1]=4 1141 B8R0.23 CC(=O)OC(C)C(=O)Cl Amb25920188 [0,0,0,0,1,0|2,0,0]=3 1142 B8R0.23 CC(=O)OC(C)C(=O)O Amb22360672 [0,0,0,0,1,0|1,0,0]=2 1143 B8R0.23 CC(=O)OC(C)C(C)=O Amb4021650 [0,0,0,0,1,0|2,0,0]=3 1144 B8R0.23 CC(=O)OC(C)C(C)O Amb28366888 [0,0,0,0,1,0|2,0,1]=4 1145 B8R0.23 CC(=O)OC(C)C(N)=O Amb27179906 [0,0,0,0,1,0|2,0,0]=3 1146 B8R0.23 CC(=O)ON(C)C(C)=O Amb4017292 [0,0,0,0,1,0|3,0,0]=4 1147 B8R0.23 CC(=O)ON(Cl)C(C)=O Amb27872417 [0,0,0,0,1,0|3,0,0]=4 1148 B8R0.23 CC(=O)O[C@@H](C)C(=O)Cl Amb3939242 [0,0,0,0,1,0|2,0,0]=3 1149 B8R0.23 CC(=O)O[C@@H](C)C(=O)O Amb3938984 [0,0,0,0,1,0|1,0,0]=2 1150 B8R0.23 CC(=O)O[C@@H](C)C(C)=O Amb26074254 [0,0,0,0,1,0|2,0,0]=3 1151 B8R0.23 CC(=O)O[C@@H](C)C(N)=S Amb28067714 [0,0,0,0,1,0|2,1,0]=4 1152 B8R0.23 CC(=O)O[C@@H](C)[C@H](C)O Amb28321279 [0,0,0,0,1,0|2,0,1]=4 1153 B8R0.23 CC(=O)O[C@H](C)C(=O)Cl Amb27411067 [0,0,0,0,1,0|2,0,0]=3 1154 B8R0.23 CC(=O)O[C@H](C)C(=O)O Amb26458759 [0,0,0,0,1,0|1,0,0]=2 1155 B8R0.23 CC(=O)O[C@H](C)C(C)O Amb27192959 [0,0,0,0,1,0|2,0,1]=4 1156 B8R0.23 CC(=O)O[C@H](C)C(N)=O Amb27227531 [0,0,0,0,1,0|2,0,0]=3 1157 B8R0.23 CC(=O)S[C@@H](C)C(=O)O Amb26639910 [0,0,0,0,1,0|1,1,0]=3 1158 B8R0.23 CC(=O)S[C@H](C)C(=O)O Amb28118658 [0,0,0,0,1,0|1,1,0]=3 1159 B8R0.23 CC(=O)[C@@H](N)CC(C)C Amb28344512 [0,0,0,0,1,0|2,0,1]=4 1160 B8R0.23 CC(=O)[C@@H](N)CC(N)=O Amb28044564 [0,0,0,0,1,0|2,0,0]=3 1161 B8R0.23 CC(=O)[C@@H](O)CC(=O)O Amb28398474 [0,0,0,0,1,0|3,0,0]=4 1162 B8R0.23 CC(=O)[C@H](C)CC(=O)O Amb25360184 [0,0,0,0,1,0|3,0,0]=4 1163 B8R0.23 CC(=O)[C@H](N)CC(C)C Amb27490707 [0,0,0,0,1,0|2,0,1]=4 1164 B8R0.23 CC(=O)\C=C(/C)C(=O)O Amb18642577 [0,0,0,0,1,0|1,0,2]=4 1165 B8R0.23 CC(=O)\C=C(/N)C(=O)O Amb28206217 [0,0,0,0,1,0|0,0,2]=3 1166 B8R0.23 CC(=O)\C=C(/O)C(=O)O Amb28122229 [0,0,0,0,1,0|1,0,2]=4 1167 B8R0.23 CC(=O)\C=C(\Br)C(=O)O Amb27419942 [0,0,0,0,1,0|1,0,2]=4 1168 B8R0.23 CC(=O)\C=C(\O)C(=O)O Amb25856143 [0,0,0,0,1,0|1,0,2]=4 1169 B8R0.23 CC(=S)NC(C)C(=O)O Amb27876447 [0,0,0,0,1,0|2,1,0]=4 1170 B8R0.23 CC(Br)CC(C)C(=O)O Amb27760411 [0,0,0,0,1,0|2,0,1]=4 1171 B8R0.23 CC(C)=CC(O)C(=O)O Amb28346343 [0,0,0,0,1,0|2,0,1]=4 1172 B8R0.23 CC(C)=C[C@@H](O)C(=O)O Amb27228179 [0,0,0,0,1,0|2,0,1]=4 1173 B8R0.23 CC(C)=C[C@H](O)C(=O)O Amb27473652 [0,0,0,0,1,0|2,0,1]=4 1174 B8R0.23 CC(C)CC(Br)C(=O)O Amb16233356 [0,0,0,0,1,0|2,0,1]=4 1175 B8R0.23 CC(C)CC(C)C(=O)O Amb18975244 [0,0,0,0,1,0|2,0,1]=4 1176 B8R0.23 CC(C)CC(Cl)C(=O)O Amb17593753 [0,0,0,0,1,0|2,0,1]=4 1177 B8R0.23 CC(C)CC(F)C(=O)O Amb24565634 [0,0,0,0,1,0|2,0,1]=4 1178 B8R0.23 CC(C)CC(N)C(=O)O Amb9703094 [0,0,0,0,1,0|1,0,1]=3 1179 B8R0.23 CC(C)CC(N)C(N)=O Amb6334827 [0,0,0,0,1,0|2,0,1]=4 1180 B8R0.23 CC(C)CC(N)C(N)=O Amb9729639 [0,0,0,0,1,0|2,0,1]=4 1181 B8R0.23 CC(C)CC(N)[PH](=O)O Amb27831348 [0,0,0,0,1,0|2,0,1]=4 1182 B8R0.23 CC(C)CC(O)C(=O)O Amb2694726 [0,0,0,0,1,0|2,0,1]=4 1183 B8R0.23 CC(C)CC(S)C(=O)O Amb18296292 [0,0,0,0,1,0|2,0,1]=4 1184 B8R0.23 CC(C)C[C@@H](C)C(=O)O Amb10844070 [0,0,0,0,1,0|2,0,1]=4 1185 B8R0.23 CC(C)C[C@@H](Cl)C(=O)O Amb22800398 [0,0,0,0,1,0|2,0,1]=4 1186 B8R0.23 CC(C)C[C@@H](F)C(=O)O Amb24616998 [0,0,0,0,1,0|2,0,1]=4 1187 B8R0.23 CC(C)C[C@@H](N)C(=O)O Amb2720579 [0,0,0,0,1,0|1,0,1]=3 1188 B8R0.23 CC(C)C[C@@H](N)C(N)=O Amb16183944 [0,0,0,0,1,0|2,0,1]=4 1189 B8R0.23 CC(C)C[C@@H](N)C(N)=O Amb22745197 [0,0,0,0,1,0|2,0,1]=4 1190 B8R0.23 CC(C)C[C@@H](O)C(=O)O Amb8630052 [0,0,0,0,1,0|2,0,1]=4 1191 B8R0.23 CC(C)C[C@@H](S)C(=O)O Amb27786874 [0,0,0,0,1,0|2,0,1]=4 1192 B8R0.23 CC(C)C[C@H](Br)C(=O)O Amb22226489 [0,0,0,0,1,0|2,0,1]=4 1193 B8R0.23 CC(C)C[C@H](C)C(=O)O Amb10844071 [0,0,0,0,1,0|2,0,1]=4 1194 B8R0.23 CC(C)C[C@H](Cl)C(=O)O Amb22388637 [0,0,0,0,1,0|2,0,1]=4 1195 B8R0.23 CC(C)C[C@H](F)C(=O)O Amb10841083 [0,0,0,0,1,0|2,0,1]=4 1196 B8R0.23 CC(C)C[C@H](N)C(=O)O Amb3499446 [0,0,0,0,1,0|1,0,1]=3 1197 B8R0.23 CC(C)C[C@H](N)C(=O)S Amb27810129 [0,0,0,0,1,0|1,1,1]=4 1198 B8R0.23 CC(C)C[C@H](N)C(N)=O Amb10670112 [0,0,0,0,1,0|2,0,1]=4 1199 B8R0.23 CC(C)C[C@H](N)C(N)=O Amb8515324 [0,0,0,0,1,0|2,0,1]=4 1200 B8R0.23 CC(C)C[C@H](O)C(=O)O Amb16232074 [0,0,0,0,1,0|2,0,1]=4 1201 B8R0.23 CC(C)OC(C)C(=O)O Amb10607866 [0,0,0,0,1,0|2,0,1]=4 1202 B8R0.23 CC(C)OC(F)C(=O)O Amb28045324 [0,0,0,0,1,0|2,0,1]=4 1203 B8R0.23 CC(CC(=O)Cl)C(=O)Cl Amb22167294 [0,0,0,0,1,0|3,0,0]=4 1204 B8R0.23 CC(CC(=O)O)C(=O)O Amb1935053 [0,0,0,0,1,0|2,0,0]=3 1205 B8R0.23 CC(CC(=O)O)C(N)=O Amb25737942 [0,0,0,0,1,0|3,0,0]=4 1206 B8R0.23 CC(CC(N)=O)C(=O)O Amb27596628 [0,0,0,0,1,0|2,0,0]=3 1207 B8R0.23 CC(CC(N)=O)C(N)=O Amb2720769 [0,0,0,0,1,0|3,0,0]=4 1208 B8R0.23 CC(CN(C)C)C(=O)O Amb8428203 [0,0,0,0,1,0|3,0,0]=4 1209 B8R0.23 CC(CN(C)C)C(=O)O Amb9173365 [0,0,0,0,1,0|3,0,0]=4 1210 B8R0.23 CC(CN(C)N)C(=O)O Amb28145156 [0,0,0,0,1,0|3,0,0]=4 1211 B8R0.23 CC(CS(=O)O)C(=O)O Amb28118949 [0,0,0,0,1,0|3,0,0]=4 1212 B8R0.23 CC(CS(C)=O)C(=O)O Amb18974546 [0,0,0,0,1,0|2,0,0]=3 1213 B8R0.23 CC(CS(C)=O)C(N)=O Amb27981416 [0,0,0,0,1,0|3,0,0]=4 1214 B8R0.23 CC(C[PH](=O)O)C(=O)O Amb27477749 [0,0,0,0,1,0|3,0,0]=4 1215 B8R0.23 CC(Cl)CC(N)C(=O)O Amb28325413 [0,0,0,0,1,0|1,0,1]=3 1216 B8R0.23 CC(N)CC(N)C(=O)O Amb28144636 [0,0,0,0,1,0|1,0,1]=3 1217 B8R0.23 CC(N)CC(O)C(=O)O Amb27975686 [0,0,0,0,1,0|2,0,1]=4 1218 B8R0.23 CC(NC(N)=O)C(=O)O Amb9745673 [0,0,0,0,1,0|3,0,0]=4 1219 B8R0.23 CC(O)C(N)CC(=O)O Amb27424723 [0,0,0,0,1,0|2,0,1]=4 1220 B8R0.23 CC(O)C(N)CC(N)=O Amb27246007 [0,0,0,0,1,0|2,0,1]=4 1221 B8R0.23 CC(O)CC(N)C(=O)O Amb18642918 [0,0,0,0,1,0|0,0,2]=3 1222 B8R0.23 CC(O)CC(N)C(N)=O Amb33065888 [0,0,0,0,1,0|1,0,2]=4 1223 B8R0.23 CC(O)C[C@@H](N)C(=O)O Amb26985188 [0,0,0,0,1,0|0,0,2]=3 1224 B8R0.23 CC(O)C[C@H](N)C(=O)O Amb27185464 [0,0,0,0,1,0|0,0,2]=3 1225 B8R0.23 CC(OC(=O)Cl)C(=O)O Amb27241520 [0,0,0,0,1,0|2,0,0]=3 1226 B8R0.23 CC(O[N+](=O)[O-])C(=O)O Amb27947983 [0,0,0,0,1,0|3,0,0]=4 1227 B8R0.23 CN(C)CC(N)C(=O)O Amb23558085 [0,0,0,0,1,0|2,0,0]=3 1228 B8R0.23 CN(C)CC(N)C(=O)O Amb32644516 [0,0,0,0,1,0|2,0,0]=3 1229 B8R0.23 CN(C)CC(N)C(=O)O Amb33756799 [0,0,0,0,1,0|2,0,0]=3 1230 B8R0.23 CN(C)CC(N)C(N)=O Amb18984335 [0,0,0,0,1,0|3,0,0]=4 1231 B8R0.23 CN(C)CC(O)C(=O)O Amb27856754 [0,0,0,0,1,0|3,0,0]=4 1232 B8R0.23 CN(C)C[C@@H](N)C(=O)O Amb19889770 [0,0,0,0,1,0|2,0,0]=3 1233 B8R0.23 CN(C)C[C@H](N)C(=O)O Amb24078627 [0,0,0,0,1,0|2,0,0]=3 1234 B8R0.23 CN(C)C[C@H](N)C(=O)O Amb8515079 [0,0,0,0,1,0|2,0,0]=3 1235 B8R0.23 CN(C)C[C@H](O)C(=O)O Amb24372674 [0,0,0,0,1,0|3,0,0]=4 1236 B8R0.23 CS(=N)C[C@H](N)C(=O)O Amb27838573 [0,0,0,0,1,0|2,0,0]=3 1237 B8R0.23 CS(=O)CC(N)C(=O)O Amb18125279 [0,0,0,0,1,0|1,0,0]=2 1238 B8R0.23 CS(=O)CC(N)C(N)=O Amb27608115 [0,0,0,0,1,0|2,0,0]=3 1239 B8R0.23 CS(=O)C[C@@H](N)C(=O)O Amb22745418 [0,0,0,0,1,0|1,0,0]=2 1240 B8R0.23 CS(=O)C[C@H](N)C(=O)O Amb16232229 [0,0,0,0,1,0|1,0,0]=2 1241 B8R0.23 C[C@@H](CC(=O)O)C(=O)O Amb22226742 [0,0,0,0,1,0|2,0,0]=3 1242 B8R0.23 C[C@@H](Cl)C[C@H](N)C(=O)O Amb27863035 [0,0,0,0,1,0|1,0,1]=3 1243 B8R0.23 C[C@@H](NC(N)=O)C(=O)O Amb27242972 [0,0,0,0,1,0|3,0,0]=4 1244 B8R0.23 C[C@@H](O)C[C@@H](N)C(=O)O Amb27254158 [0,0,0,0,1,0|0,0,2]=3 1245 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O Amb22168848 [0,0,0,0,1,0|2,0,1]=4 1246 B8R0.23 C[C@@H](OC(N)=O)C(=O)O Amb35655773 [0,0,0,0,1,0|2,0,0]=3 1247 B8R0.23 C[C@H](CC(=O)O)C(=O)O Amb22225399 [0,0,0,0,1,0|2,0,0]=3 1248 B8R0.23 C[C@H](CC(=O)O)C(N)=O Amb28133461 [0,0,0,0,1,0|3,0,0]=4 1249 B8R0.23 C[C@H](N)C[C@@H](O)C(=O)O Amb27231129 [0,0,0,0,1,0|2,0,1]=4 1250 B8R0.23 C[C@H](N)C[C@H](N)C(=O)O Amb27815088 [0,0,0,0,1,0|1,0,1]=3 1251 B8R0.23 C[C@H](N)C[C@H](O)C(=O)O Amb27180466 [0,0,0,0,1,0|2,0,1]=4 1252 B8R0.23 C[C@H](NC(N)=O)C(=O)O Amb545023 [0,0,0,0,1,0|3,0,0]=4 1253 B8R0.23 C[C@H](NS(C)=O)C(=O)O Amb27212723 [0,0,0,0,1,0|3,0,0]=4 1254 B8R0.23 C[C@H](O)[C@@H](N)CC(=O)O Amb16184021 [0,0,0,0,1,0|2,0,1]=4 1255 B8R0.23 C[S@@](=O)C[C@H](N)C(=O)O Amb35789128 [0,0,0,0,1,0|1,0,0]=2 1256 B8R0.23 C[S@](=O)C[C@H](N)C(=O)O Amb33756818 [0,0,0,0,1,0|1,0,0]=2 1257 B8R0.23 C[S@](=O)C[C@H](N)C(=O)O Amb35788678 [0,0,0,0,1,0|1,0,0]=2 1258 B8R0.23 C\C(Cl)=C/C(C)C(=O)O Amb28285105 [0,0,0,0,1,0|2,0,1]=4 1259 B8R0.23 C\C(Cl)=C/C(Cl)C(=O)O Amb28128482 [0,0,0,0,1,0|2,0,1]=4 1260 B8R0.23 NC(=O)C(N)CC(=O)O Amb18124347 [0,0,0,0,1,0|2,0,0]=3 1261 B8R0.23 NC(=O)C(N)CC(=O)O Amb32666212 [0,0,0,0,1,0|2,0,0]=3 1262 B8R0.23 NC(=O)C(N)CC(=O)O Amb32666239 [0,0,0,0,1,0|2,0,0]=3 1263 B8R0.23 NC(=O)C(O)CC(=O)[O-] Amb33068981 [0,0,0,0,1,0|3,0,0]=4 1264 B8R0.23 NC(=O)CC(Br)C(=O)O Amb26012685 [0,0,0,0,1,0|2,0,0]=3 1265 B8R0.23 NC(=O)CC(Cl)C(=O)O Amb27478086 [0,0,0,0,1,0|2,0,0]=3 1266 B8R0.23 NC(=O)CC(N)C(=O)O Amb2725509 [0,0,0,0,1,0|1,0,0]=2 1267 B8R0.23 NC(=O)CC(N)C(=O)O Amb3940878 [0,0,0,0,1,0|1,0,0]=2 1268 B8R0.23 NC(=O)CC(N)C(N)=O Amb18289248 [0,0,0,0,1,0|2,0,0]=3 1269 B8R0.23 NC(=O)CC(O)C(=O)O Amb27807542 [0,0,0,0,1,0|2,0,0]=3 1270 B8R0.23 NC(=O)CC(O)C(N)=O Amb27961515 [0,0,0,0,1,0|3,0,0]=4 1271 B8R0.23 NC(=O)CC(S)C(=O)O Amb27494183 [0,0,0,0,1,0|2,0,0]=3 1272 B8R0.23 NC(=O)C[C@@H](Br)C(=O)O Amb27858620 [0,0,0,0,1,0|2,0,0]=3 1273 B8R0.23 NC(=O)C[C@@H](N)C(=O)O Amb10071271 [0,0,0,0,1,0|1,0,0]=2 1274 B8R0.23 NC(=O)C[C@@H](N)C(=O)O Amb17749060 [0,0,0,0,1,0|1,0,0]=2 1275 B8R0.23 NC(=O)C[C@@H](N)C(N)=O Amb28423711 [0,0,0,0,1,0|2,0,0]=3 1276 B8R0.23 NC(=O)C[C@@H](O)C(=O)O Amb24681022 [0,0,0,0,1,0|2,0,0]=3 1277 B8R0.23 NC(=O)C[C@@H](O)C(N)=O Amb27258074 [0,0,0,0,1,0|3,0,0]=4 1278 B8R0.23 NC(=O)C[C@@H](S)C(=O)O Amb27234637 [0,0,0,0,1,0|2,0,0]=3 1279 B8R0.23 NC(=O)C[C@H](N)C(=O)O Amb3940760 [0,0,0,0,1,0|1,0,0]=2 1280 B8R0.23 NC(=O)C[C@H](N)C(=O)O Amb8513755 [0,0,0,0,1,0|1,0,0]=2 1281 B8R0.23 NC(=O)C[C@H](N)C(N)=O Amb16183882 [0,0,0,0,1,0|2,0,0]=3 1282 B8R0.23 NC(=O)C[C@H](S)C(=O)O Amb27253643 [0,0,0,0,1,0|2,0,0]=3 1283 B8R0.23 NC(=O)N(N)CC(=O)O Amb6296397 [0,0,0,0,1,0|3,0,0]=4 1284 B8R0.23 NC(=O)NC(O)C(=O)O Amb24592607 [0,0,0,0,1,0|3,0,0]=4 1285 B8R0.23 NC(=O)N[C@@H](O)C(=O)O Amb28287313 [0,0,0,0,1,0|3,0,0]=4 1286 B8R0.23 NC(=O)[C@@H](N)CC(=O)O Amb19334954 [0,0,0,0,1,0|2,0,0]=3 1287 B8R0.23 NC(=O)[C@@H](N)CC(=O)O Amb31291739 [0,0,0,0,1,0|2,0,0]=3 1288 B8R0.23 NC(=O)[C@@H](N)CC(=O)O Amb32652393 [0,0,0,0,1,0|2,0,0]=3 1289 B8R0.23 NC(=O)[C@H](N)CC(=O)O Amb27768775 [0,0,0,0,1,0|2,0,0]=3 1290 B8R0.23 NC(=S)C[C@H](N)C(=O)O Amb28410343 [0,0,0,0,1,0|1,1,0]=3 1291 B8R0.23 NC(C=C(Cl)Cl)C(=O)O Amb22350718 [0,0,0,0,1,0|2,0,1]=4 1292 B8R0.23 NC(C=S(=O)=O)C(=O)O Amb27231764 [0,0,0,0,1,0|2,0,1]=4 1293 B8R0.23 NC(CB(O)O)C(=O)O Amb28285179 [0,0,0,0,1,0|2,0,1]=4 1294 B8R0.23 NC(CB(O)O)C(=O)O Amb33803309 [0,0,0,0,1,0|2,0,1]=4 1295 B8R0.23 NC(CC(=O)O)C(=O)O Amb9702780 [0,0,0,0,1,0|1,0,0]=2 1296 B8R0.23 NC(CC(=O)O)C(=O)[O-] Amb22167994 [0,0,0,0,1,0|1,0,1]=3 1297 B8R0.23 NC(CC(=O)O)C(=O)[O-] Amb22337568 [0,0,0,0,1,0|1,0,1]=3 1298 B8R0.23 NC(CC(Cl)Cl)C(=O)O Amb27791749 [0,0,0,0,1,0|2,0,1]=4 1299 B8R0.23 NC(CC(F)F)C(=O)O Amb13952714 [0,0,0,0,1,0|2,0,1]=4 1300 B8R0.23 NC(CC(F)F)C(=O)O Amb33546007 [0,0,0,0,1,0|2,0,1]=4 1301 B8R0.23 NC(CS(=O)O)C(=O)O Amb541272 [0,0,0,0,1,0|2,0,0]=3 1302 B8R0.23 N[C@@H](CC(=O)O)C(=O)O Amb34163080 [0,0,0,0,1,0|1,0,0]=2 1303 B8R0.23 N[C@@H](CC(=O)O)C(=O)O Amb3940320 [0,0,0,0,1,0|1,0,0]=2 1304 B8R0.23 N[C@@H](CC(=O)O)C(=O)[O-] Amb22801032 [0,0,0,0,1,0|1,0,1]=3 1305 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)O Amb20240565 [0,0,0,0,1,0|1,0,0]=2 1306 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)O Amb22748769 [0,0,0,0,1,0|1,0,0]=2 1307 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)[O-] Amb22757383 [0,0,0,0,1,0|1,0,1]=3 1308 B8R0.23 N[C@@H](CC(F)F)C(=O)O Amb26944439 [0,0,0,0,1,0|2,0,1]=4 1309 B8R0.23 N[C@@H](CC(F)F)C(=O)O Amb33482837 [0,0,0,0,1,0|2,0,1]=4 1310 B8R0.23 N[C@@H](CS(=O)O)C(=O)O Amb6600148 [0,0,0,0,1,0|2,0,0]=3 1311 B8R0.23 N[C@@H](CS(=O)O)C(=O)O Amb9809803 [0,0,0,0,1,0|2,0,0]=3 1312 B8R0.23 N[C@@H](C[SH](=O)=O)C(=O)O Amb27858626 [0,0,0,0,1,0|2,0,0]=3 1313 B8R0.23 N[C@H](CC(=O)O)C(=O)O Amb6599992 [0,0,0,0,1,0|1,0,0]=2 1314 B8R0.23 N[C@H](CC(F)F)C(=O)O Amb25117310 [0,0,0,0,1,0|2,0,1]=4 1315 B8R0.23 N[C@H](CC(F)F)C(=O)O Amb33743521 [0,0,0,0,1,0|2,0,1]=4 1316 B8R0.23 O=C(Cl)CC(Cl)C(=O)Cl Amb28122555 [0,0,0,0,1,0|3,0,0]=4 1317 B8R0.23 O=C(O)C(O)C[N+](=O)[O-] Amb6883775 [0,0,0,0,1,0|3,0,0]=4 1318 B8R0.23 O=C(O)CC(=O)C(=O)O Amb3909986 [0,0,0,0,1,0|2,0,1]=4 1319 B8R0.23 O=C(O)CC(=S)C(=O)O Amb25304511 [0,0,0,0,1,0|2,0,1]=4 1320 B8R0.23 O=C(O)CC(Br)C(=O)O Amb3941503 [0,0,0,0,1,0|2,0,0]=3 1321 B8R0.23 O=C(O)CC(Cl)C(=O)O Amb9825869 [0,0,0,0,1,0|2,0,0]=3 1322 B8R0.23 O=C(O)CC(O)C(=O)O Amb8513238 [0,0,0,0,1,0|2,0,0]=3 1323 B8R0.23 O=C(O)CC(S)C(=O)O Amb2779994 [0,0,0,0,1,0|2,0,0]=3 1324 B8R0.23 O=C(O)C[C@@H](Br)C(=O)O Amb22504149 [0,0,0,0,1,0|2,0,0]=3 1325 B8R0.23 O=C(O)C[C@@H](Cl)C(=O)O Amb20242424 [0,0,0,0,1,0|2,0,0]=3 1326 B8R0.23 O=C(O)C[C@@H](F)C(=O)O Amb27173500 [0,0,0,0,1,0|2,0,0]=3 1327 B8R0.23 O=C(O)C[C@@H](O)C(=O)O Amb4166311 [0,0,0,0,1,0|2,0,0]=3 1328 B8R0.23 O=C(O)C[C@H](Br)C(=O)O Amb8629197 [0,0,0,0,1,0|2,0,0]=3 1329 B8R0.23 O=C(O)C[C@H](Cl)C(=O)O Amb20242425 [0,0,0,0,1,0|2,0,0]=3 1330 B8R0.23 O=C(O)C[C@H](F)C(=O)O Amb27167819 [0,0,0,0,1,0|2,0,0]=3 1331 B8R0.23 O=C(O)C[C@H](O)C(=O)O Amb6599993 [0,0,0,0,1,0|2,0,0]=3 1332 B8R0.23 O=C([O-])CC(O)C(=O)[O-] Amb30876864 [0,0,0,0,1,0|2,0,1]=4 1333 B8R0.23 O=C([O-])C[C@H](O)C(=O)[O-] Amb22351833 [0,0,0,0,1,0|2,0,1]=4 1334 B10R0.96 CC(=O)CCC(C)CC(=O)O Amb32668383 [0,0,0,0,0,1|2,0,0]=3 1335 B10R0.96 CC(=O)NC(C)COC(C)=O Amb28080103 [0,0,0,0,0,1|2,0,0]=3 1336 B10R0.96 CC(=O)NCC(C)NC(C)=O Amb17795374 [0,0,0,0,0,1|3,0,0]=4 1337 B10R0.96 CC(=O)NCC(C)OC(C)=O Amb27673655 [0,0,0,0,0,1|3,0,0]=4 1338 B10R0.96 CC(=O)NCC(O)CC(=O)O Amb28079665 [0,0,0,0,0,1|2,0,0]=3 1339 B10R0.96 CC(=O)NC[C@H](C)OC(C)=O Amb27673459 [0,0,0,0,0,1|3,0,0]=4 1340 B10R0.96 CC(=O)N[C@H](C)COC(C)=O Amb28080102 [0,0,0,0,0,1|2,0,0]=3 1341 B10R0.96 CC(=O)OCC(C)OC(C)=O Amb2721142 [0,0,0,0,0,1|2,0,0]=3 1342 B10R0.96 CC(C)CCC(N)CC(=O)O Amb18830323 [0,0,0,0,0,1|2,0,1]=4 1343 B10R0.96 CC(C)OCC(N)CC(=O)O Amb33447444 [0,0,0,0,0,1|1,0,1]=3 1344 B10R0.96 CC(C)OCC(O)CC(=O)O Amb33448479 [0,0,0,0,0,1|2,0,1]=4 1345 B10R0.96 CC(C)OC[C@@H](O)CC(=O)O Amb33274503 [0,0,0,0,0,1|2,0,1]=4 1346 B10R0.96 CC(C)OC[C@H](O)CC(=O)O Amb33274501 [0,0,0,0,0,1|2,0,1]=4 1347 B10R0.96 CC(CCC(=O)O)CC(=O)O Amb6608722 [0,0,0,0,0,1|3,0,0]=4 1348 B10R0.96 CC(COC(C)C)CC(=O)O Amb33079248 [0,0,0,0,0,1|2,0,1]=4 1349 B10R0.96 CN(C)CCC(N)CC(=O)O Amb33273734 [0,0,0,0,0,1|3,0,0]=4 1350 B10R0.96 NC(=O)CC[C@@H](N)CC(=O)O Amb22746285 [0,0,0,0,0,1|2,0,0]=3 1351 B10R0.96 NC(=O)CC[C@H](N)CC(=O)O Amb22348459 [0,0,0,0,0,1|2,0,0]=3 1352 B10R0.96 NC(=O)NCC(O)CC(=O)O Amb28079675 [0,0,0,0,0,1|3,0,0]=4 1353 B10R0.96 NC(CCC(=O)O)CC(=O)O Amb8631356 [0,0,0,0,0,1|2,0,0]=3 1354 B10R0.96 N[C@@H](CCC(=O)O)CC(=O)O Amb16232070 [0,0,0,0,0,1|2,0,0]=3 1355 B10R0.96 N[C@H](CCC(=O)O)CC(=O)O Amb22750585 [0,0,0,0,0,1|2,0,0]=3 1356 B10R0.96 O=C(O)CCC(O)CC(=O)O Amb22727761 [0,0,0,0,0,1|3,0,0]=4 1357 B10R0.98 C=C(CON=C(C)C)C(=O)O Amb27988407 [0,0,0,0,0,1|2,0,1]=4 1358 B10R0.98 CC(=O)CCCC(N)C(=O)O Amb33036722 [0,0,0,0,0,1|1,0,0]=2 1359 B10R0.98 CC(=O)CCCC(N)C(N)=O Amb33308963 [0,0,0,0,0,1|2,0,0]=3 1360 B10R0.98 CC(=O)CCC[C@@H](N)C(=O)O Amb32937025 [0,0,0,0,0,1|1,0,0]=2 1361 B10R0.98 CC(=O)CCC[C@H](N)C(=O)O Amb32865922 [0,0,0,0,0,1|1,0,0]=2 1362 B10R0.98 CC(=O)CCNC(C)C(=O)O Amb32675829 [0,0,0,0,0,1|2,0,0]=3 1363 B10R0.98 CC(=O)CSCC(=O)C(=O)O Amb33069919 [0,0,0,0,0,1|1,1,1]=4 1364 B10R0.98 CC(=O)NCCC(C)C(=O)O Amb27270987 [0,0,0,0,0,1|2,0,0]=3 1365 B10R0.98 CC(=O)NCC[C@H](N)C(=O)O Amb26659493 [0,0,0,0,0,1|1,0,0]=2 1366 B10R0.98 CC(=O)NCC[C@H](O)C(=O)O Amb27670710 [0,0,0,0,0,1|2,0,0]=3 1367 B10R0.98 CC(=O)NC\C=C(\C)C(=O)O Amb35584803 [0,0,0,0,0,1|2,0,1]=4 1368 B10R0.98 CC(=O)OCCC(Cl)C(C)=O Amb16234124 [0,0,0,0,0,1|2,0,0]=3 1369 B10R0.98 CC(=O)OC\C=C(\C)C(C)=O Amb24765386 [0,0,0,0,0,1|2,0,1]=4 1370 B10R0.98 CC(C)=CCCC(N)C(=O)O Amb27001257 [0,0,0,0,0,1|2,0,0]=3 1371 B10R0.98 CC(C)=CCCC(N)C(N)=O Amb33065941 [0,0,0,0,0,1|3,0,0]=4 1372 B10R0.98 CC(C)=CCC[C@@H](N)C(=O)O Amb33065465 [0,0,0,0,0,1|2,0,0]=3 1373 B10R0.98 CC(C)=CCC[C@H](N)C(=O)O Amb25383796 [0,0,0,0,0,1|2,0,0]=3 1374 B10R0.98 CC(C)=CCNC(C)C(=O)O Amb9327033 [0,0,0,0,0,1|3,0,0]=4 1375 B10R0.98 CC(C)=CCO[C@@H](C)C(=O)O Amb27986311 [0,0,0,0,0,1|3,0,0]=4 1376 B10R0.98 CC(C)=CCO[C@H](C)C(=O)O Amb27986312 [0,0,0,0,0,1|3,0,0]=4 1377 B10R0.98 CC(C)=CCSC(C)C(=O)O Amb6262866 [0,0,0,0,0,1|3,0,0]=4 1378 B10R0.98 CC(C)=CSCC(N)C(=O)O Amb25386034 [0,0,0,0,0,1|1,1,0]=3 1379 B10R0.98 CC(C)=NOCC(Cl)C(N)=O Amb27990072 [0,0,0,0,0,1|3,0,0]=4 1380 B10R0.98 CC(C)=NOCC(N)C(N)=O Amb27988406 [0,0,0,0,0,1|2,0,0]=3 1381 B10R0.98 CC(C)=NOCC(O)C(=O)O Amb27270949 [0,0,0,0,0,1|2,0,0]=3 1382 B10R0.98 CC(C)CCCC(N)C(=O)O Amb30584746 [0,0,0,0,0,1|2,0,1]=4 1383 B10R0.98 CC(C)CCCC(N)C(=O)O Amb32679429 [0,0,0,0,0,1|2,0,1]=4 1384 B10R0.98 CC(C)CCC[C@@H](N)C(=O)O Amb22745714 [0,0,0,0,0,1|2,0,1]=4 1385 B10R0.98 CC(C)CCC[C@H](N)C(=O)O Amb34161240 [0,0,0,0,0,1|2,0,1]=4 1386 B10R0.98 CC(C)COCC(N)C(=O)O Amb18788052 [0,0,0,0,0,1|1,0,1]=3 1387 B10R0.98 CC(C)COCC(N)C(N)=O Amb18787974 [0,0,0,0,0,1|2,0,1]=4 1388 B10R0.98 CC(C)COC[C@@H](N)C(=O)O Amb33065410 [0,0,0,0,0,1|1,0,1]=3 1389 B10R0.98 CC(C)COC[C@H](N)C(=O)O Amb32668496 [0,0,0,0,0,1|1,0,1]=3 1390 B10R0.98 CC(C)OCCC(C)C(=O)O Amb18792223 [0,0,0,0,0,1|2,0,1]=4 1391 B10R0.98 CC(C)OCCC(N)C(=O)O Amb18180011 [0,0,0,0,0,1|1,0,1]=3 1392 B10R0.98 CC(C)OCCC(N)C(N)=O Amb18787993 [0,0,0,0,0,1|2,0,1]=4 1393 B10R0.98 CC(C)OCCC(O)C(=O)O Amb33274843 [0,0,0,0,0,1|2,0,1]=4 1394 B10R0.98 CC(C)OCC[C@@H](N)C(=O)O Amb31295667 [0,0,0,0,0,1|1,0,1]=3 1395 B10R0.98 CC(C)OCC[C@H](N)C(=O)O Amb33036708 [0,0,0,0,0,1|1,0,1]=3 1396 B10R0.98 CC(C)SCCC(N)C(=O)O Amb18180682 [0,0,0,0,0,1|1,1,1]=4 1397 B10R0.98 CC(C)SCC[C@@H](N)C(=O)O Amb33069965 [0,0,0,0,0,1|1,1,1]=4 1398 B10R0.98 CC(C)SCC[C@H](N)C(=O)O Amb33065836 [0,0,0,0,0,1|1,1,1]=4 1399 B10R0.98 CC(CCNC(N)=O)C(=O)O Amb27270986 [0,0,0,0,0,1|3,0,0]=4 1400 B10R0.98 CC(NCCC(=O)O)C(=O)O Amb18098310 [0,0,0,0,0,1|3,0,0]=4 1401 B10R0.98 CC(O)CCCC(N)C(=O)O Amb32941153 [0,0,0,0,0,1|1,0,2]=4 1402 B10R0.98 CC(O)CCC[C@@H](N)C(=O)O Amb33066250 [0,0,0,0,0,1|1,0,2]=4 1403 B10R0.98 CC(O)CCC[C@H](N)C(=O)O Amb33127508 [0,0,0,0,0,1|1,0,2]=4 1404 B10R0.98 CC(SCCC(=O)O)C(=O)O Amb17501234 [0,0,0,0,0,1|3,0,0]=4 1405 B10R0.98 CN(C)CCCC(N)C(=O)O Amb18199837 [0,0,0,0,0,1|3,0,0]=4 1406 B10R0.98 CN(C)CCC[C@@H](N)C(=O)O Amb31295703 [0,0,0,0,0,1|3,0,0]=4 1407 B10R0.98 CN(C)CCC[C@H](N)C(=O)O Amb33036715 [0,0,0,0,0,1|3,0,0]=4 1408 B10R0.98 N=C(N)NCC[C@@H](N)C(=O)O Amb27266501 [0,0,0,0,0,1|3,0,0]=4 1409 B10R0.98 N=C(N)NCC[C@H](N)C(=O)O Amb20240584 [0,0,0,0,0,1|3,0,0]=4 1410 B10R0.98 NC(=O)NCCC(O)C(=O)O Amb27670719 [0,0,0,0,0,1|3,0,0]=4 1411 B10R0.98 NC(=O)NCC[C@H](O)C(=O)O Amb27670720 [0,0,0,0,0,1|3,0,0]=4 1412 B10R0.98 NC(CCCC(=O)O)C(=O)O Amb22740152 [0,0,0,0,0,1|2,0,0]=3 1413 B10R0.98 NC(CCCC(=O)O)C(=O)O Amb6334822 [0,0,0,0,0,1|2,0,0]=3 1414 B10R0.98 NC(CSC=C(Cl)Cl)C(=O)O Amb27673666 [0,0,0,0,0,1|2,1,0]=4 1415 B10R0.98 NC(CSCC(=O)O)C(=O)O Amb6740297 [0,0,0,0,0,1|1,1,0]=3 1416 B10R0.98 NC(N)=NCCC(N)C(=O)O Amb22492813 [0,0,0,0,0,1|3,0,0]=4 1417 B10R0.98 NC(N)=NCC[C@H](N)C(=O)O Amb33842525 [0,0,0,0,0,1|3,0,0]=4 1418 B10R0.98 N[C@@H](CCCC(=O)O)C(=O)O Amb6600090 [0,0,0,0,0,1|2,0,0]=3 1419 B10R0.98 N[C@@H](CSC=C(Cl)Cl)C(=O)O Amb25384396 [0,0,0,0,0,1|2,1,0]=4 1420 B10R0.98 N[C@@H](CSCC(=O)O)C(=O)O Amb16232500 [0,0,0,0,0,1|1,1,0]=3 1421 B10R0.98 N[C@@H](CSCC(=O)O)C(=O)O Amb6336477 [0,0,0,0,0,1|1,1,0]=3 1422 B10R0.98 N[C@H](CCCC(=O)O)C(=O)O Amb8629031 [0,0,0,0,0,1|2,0,0]=3 1423 B10R0.98 N[C@H](C\C=C\C(=O)O)C(=O)O Amb25383155 [0,0,0,0,0,1|2,0,0]=3 1424 B10R0.98 O=C(O)CCCC(O)C(=O)O Amb21963897 [0,0,0,0,0,1|3,0,0]=4 1425 B7R0.3 C=CC(N)CCC=O Amb33036368 [2,0,0,0,0,0|2,0,0]=4 1426 B7R0.3 C=CC(N)COCC Amb27248147 [2,0,0,0,0,0|1,0,1]=4 1427 B7R0.3 CCCCC(N)C=O Amb28422291 [2,0,0,0,0,0|1,0,1]=4 1428 B7R0.3 CCOCC(N)CO Amb25890491 [2,0,0,0,0,0|0,0,2]=4 1429 B7R0.3 CCOCC(N)CO Amb32666301 [2,0,0,0,0,0|0,0,2]=4 1430 B7R0.3 CCOCC(O)C=O Amb27883256 [2,0,0,0,0,0|1,0,1]=4 1431 B7R0.3 CCOC[C@@H](N)CO Amb27838360 [2,0,0,0,0,0|0,0,2]=4 1432 B7R0.3 CCOC[C@@H](N)CO Amb32653631 [2,0,0,0,0,0|0,0,2]=4 1433 B7R0.3 COCCC(N)C=O Amb28397866 [2,0,0,0,0,0|2,0,0]=4 1434 B7R0.3 C\C=C\CC(C)C=O Amb17593164 [2,0,0,0,0,0|2,0,0]=4 1435 B7R0.3 C\C=C\CC(N)CO Amb24625761 [2,0,0,0,0,0|1,0,1]=4 1436 B7R0.3 C\C=C\CC(N)CO Amb30585118 [2,0,0,0,0,0|1,0,1]=4 1437 B7R0.3 C\C=C\C[C@H](C)C=O Amb27403477 [2,0,0,0,0,0|2,0,0]=4 1438 B7R0.3 O=CCCC(Cl)C=O Amb27232955 [2,0,0,0,0,0|2,0,0]=4 1439 B7R0.4 C=CCCCC(=O)O Amb3941675 [2,0,0,0,0,0|1,0,1]=4 1440 B7R0.4 C=CCCCC(C)=O Amb17593171 [2,0,0,0,0,0|2,0,0]=4 1441 B7R0.4 C=CCCOC(=O)Cl Amb10844792 [2,0,0,0,0,0|2,0,0]=4 1442 B7R0.4 C=CCCOC(C)=O Amb3940828 [2,0,0,0,0,0|1,0,0]=3 1443 B7R0.4 C=CCCSC(C)=O Amb24117956 [2,0,0,0,0,0|1,1,0]=4 1444 B7R0.4 C=CNCCC(=O)O Amb27429817 [2,0,0,0,0,0|1,0,1]=4 1445 B7R0.4 C=COCCC(=O)O Amb28350126 [2,0,0,0,0,0|0,0,1]=3 1446 B7R0.4 CC#CCCC(=O)O Amb3987196 [2,0,0,0,0,0|1,0,1]=4 1447 B7R0.4 CC(=O)CCCCO Amb10603864 [2,0,0,0,0,0|1,0,1]=4 1448 B7R0.4 CC(=O)NCCC=O Amb17102165 [2,0,0,0,0,0|1,0,0]=3 1449 B7R0.4 CC(=O)NCCCO Amb3429354 [2,0,0,0,0,0|1,0,1]=4 1450 B7R0.4 CC(=O)OCCCBr Amb26515737 [2,0,0,0,0,0|1,0,1]=4 1451 B7R0.4 CC(=O)OCCCCl Amb3940269 [2,0,0,0,0,0|1,0,1]=4 1452 B7R0.4 CC(=O)OCCCO Amb25854267 [2,0,0,0,0,0|0,0,1]=3 1453 B7R0.4 CC(=O)OCCCS Amb4018773 [2,0,0,0,0,0|0,1,1]=4 1454 B7R0.4 CC(=O)OCCNN Amb27769313 [2,0,0,0,0,0|2,0,0]=4 1455 B7R0.4 CC(=O)OC\C=C/Br Amb26652075 [2,0,0,0,0,0|1,0,1]=4 1456 B7R0.4 CC(=O)OC\C=C/Cl Amb27843145 [2,0,0,0,0,0|1,0,1]=4 1457 B7R0.4 CC(=O)OC\C=C\Br Amb27467221 [2,0,0,0,0,0|1,0,1]=4 1458 B7R0.4 CC(=O)SCCC=O Amb25101351 [2,0,0,0,0,0|0,1,0]=3 1459 B7R0.4 CC(=S)OCCCO Amb28381661 [2,0,0,0,0,0|0,1,1]=4 1460 B7R0.4 CC(C)=CCCC=O Amb17593168 [2,0,0,0,0,0|2,0,0]=4 1461 B7R0.4 CC(C)OCCC=O Amb26443003 [2,0,0,0,0,0|1,0,1]=4 1462 B7R0.4 CCCCCC(=O)O Amb3939846 [2,0,0,0,0,0|1,0,1]=4 1463 B7R0.4 CCCCOC(C)=O Amb6608782 [2,0,0,0,0,0|1,0,1]=4 1464 B7R0.4 CCNCCC(=O)O Amb28934794 [2,0,0,0,0,0|1,0,1]=4 1465 B7R0.4 CCNCCC(=O)O Amb7766402 [2,0,0,0,0,0|1,0,1]=4 1466 B7R0.4 CCOCCC(=O)Cl Amb20672027 [2,0,0,0,0,0|1,0,1]=4 1467 B7R0.4 CCOCCC(=O)O Amb3939859 [2,0,0,0,0,0|0,0,1]=3 1468 B7R0.4 CCOCCC(C)=O Amb7764636 [2,0,0,0,0,0|1,0,1]=4 1469 B7R0.4 CCSCCC(=O)O Amb6273140 [2,0,0,0,0,0|0,1,1]=4 1470 B7R0.4 CNCCCC(=O)O Amb1153115 [2,0,0,0,0,0|2,0,0]=4 1471 B7R0.4 CNCCCC(=O)O Amb4521435 [2,0,0,0,0,0|2,0,0]=4 1472 B7R0.4 CNCCOC(C)=O Amb18124262 [2,0,0,0,0,0|2,0,0]=4 1473 B7R0.4 CNCCOC(C)=O Amb33621071 [2,0,0,0,0,0|2,0,0]=4 1474 B7R0.4 COCCCC(=O)O Amb6275629 [2,0,0,0,0,0|2,0,0]=4 1475 B7R0.4 COCCOC(C)=O Amb4037074 [2,0,0,0,0,0|2,0,0]=4 1476 B7R0.4 CSCCCC(=O)O Amb17503622 [2,0,0,0,0,0|2,0,0]=4 1477 B7R0.4 CSSCCC(=O)O Amb26848465 [2,0,0,0,0,0|1,1,0]=4 1478 B7R0.4 C\C(Cl)=C\CCC=O Amb27792418 [2,0,0,0,0,0|2,0,0]=4 1479 B7R0.4 C\C=C\CCC(=O)O Amb34910859 [2,0,0,0,0,0|1,0,0]=3 1480 B7R0.4 C\C=C\CCC(C)=O Amb9031579 [2,0,0,0,0,0|2,0,0]=4 1481 B7R0.4 C\C=C\COC(C)=O Amb6366590 [2,0,0,0,0,0|1,0,1]=4 1482 B7R0.4 O=C(O)CC\C=C\Br Amb25238247 [2,0,0,0,0,0|2,0,0]=4 1483 B7R0.4 O=C=NCCC(=O)O Amb26053417 [2,0,0,0,0,0|1,0,1]=4 1484 B7R0.4 O=CCCCC(=O)O Amb17593198 [2,0,0,0,0,0|1,0,0]=3 1485 B7R0.4 O=CNCCC(=O)O Amb18290434 [2,0,0,0,0,0|1,0,0]=3 1486 B7R0.4 O=CNOCC(=O)O Amb27477273 [2,0,0,0,0,0|2,0,0]=4 1487 B7R0.4 O=NSCCC(=O)O Amb28429846 [2,0,0,0,0,0|1,1,0]=4 1488 B7R0.5 C#CCC(N)C(=O)O Amb19944472 [2,0,0,0,0,0|0,0,2]=4 1489 B7R0.5 C#CCC(N)C(=O)O Amb9721758 [2,0,0,0,0,0|0,0,2]=4 1490 B7R0.5 C#CC[C@@H](N)C(=O)O Amb16183954 [2,0,0,0,0,0|0,0,2]=4 1491 B7R0.5 C#CC[C@@H](N)C(=O)O Amb22748688 [2,0,0,0,0,0|0,0,2]=4 1492 B7R0.5 C#CC[C@H](N)C(=O)O Amb8396606 [2,0,0,0,0,0|0,0,2]=4 1493 B7R0.5 C=C(COC)C(=O)O Amb26978134 [2,0,0,0,0,0|1,0,1]=4 1494 B7R0.5 C=CCC(C)C(=O)O Amb33545044 [2,0,0,0,0,0|1,0,1]=4 1495 B7R0.5 C=CCC(Cl)C(=O)O Amb25056173 [2,0,0,0,0,0|1,0,1]=4 1496 B7R0.5 C=CCC(F)C(=O)O Amb28071391 [2,0,0,0,0,0|1,0,1]=4 1497 B7R0.5 C=CCC(N)C(=O)Cl Amb27413912 [2,0,0,0,0,0|1,0,1]=4 1498 B7R0.5 C=CCC(N)C(=O)O Amb21856826 [2,0,0,0,0,0|0,0,1]=3 1499 B7R0.5 C=CCC(N)C(=O)O Amb9729145 [2,0,0,0,0,0|0,0,1]=3 1500 B7R0.5 C=CCC(N)C(C)=O Amb27194092 [2,0,0,0,0,0|1,0,1]=4 1501 B7R0.5 C=CCC(N)C(N)=O Amb26585896 [2,0,0,0,0,0|1,0,1]=4 1502 B7R0.5 C=CC[C@@H](N)C(=O)O Amb22745310 [2,0,0,0,0,0|0,0,1]=3 1503 B7R0.5 C=CC[C@@H](N)C(=O)O Amb8389451 [2,0,0,0,0,0|0,0,1]=3 1504 B7R0.5 C=CC[C@@H](N)C(N)=O Amb27838370 [2,0,0,0,0,0|1,0,1]=4 1505 B7R0.5 C=CC[C@H](N)C(=O)Cl Amb28120452 [2,0,0,0,0,0|1,0,1]=4 1506 B7R0.5 C=CC[C@H](N)C(=O)O Amb10982568 [2,0,0,0,0,0|0,0,1]=3 1507 B7R0.5 C=CC[C@H](N)C(=O)O Amb2699115 [2,0,0,0,0,0|0,0,1]=3 1508 B7R0.5 CC(=O)C(C)OC=O Amb26492625 [2,0,0,0,0,0|2,0,0]=4 1509 B7R0.5 CC(=O)C(Cl)CC=O Amb18642970 [2,0,0,0,0,0|2,0,0]=4 1510 B7R0.5 CC(=O)[C@H](O)CC=O Amb27446551 [2,0,0,0,0,0|2,0,0]=4 1511 B7R0.5 CC(CC=O)C(=O)O Amb27952476 [2,0,0,0,0,0|1,0,0]=3 1512 B7R0.5 CC(NC=O)C(=O)O Amb1144629 [2,0,0,0,0,0|2,0,0]=4 1513 B7R0.5 CC(OC=O)C(=O)O Amb27872094 [2,0,0,0,0,0|1,0,0]=3 1514 B7R0.5 CCCC(Br)C(=O)O Amb2795765 [2,0,0,0,0,0|1,0,1]=4 1515 B7R0.5 CCCC(C)C(=O)O Amb3938958 [2,0,0,0,0,0|1,0,1]=4 1516 B7R0.5 CCCC(Cl)C(=O)O Amb17593470 [2,0,0,0,0,0|1,0,1]=4 1517 B7R0.5 CCCC(F)C(=O)O Amb25842008 [2,0,0,0,0,0|1,0,1]=4 1518 B7R0.5 CCCC(N)C(=O)O Amb6262055 [2,0,0,0,0,0|0,0,1]=3 1519 B7R0.5 CCCC(N)C(C)=O Amb27838289 [2,0,0,0,0,0|1,0,1]=4 1520 B7R0.5 CCCC(N)C(N)=O Amb22284825 [2,0,0,0,0,0|1,0,1]=4 1521 B7R0.5 CCCC(N)C(N)=O Amb9514970 [2,0,0,0,0,0|1,0,1]=4 1522 B7R0.5 CCCC(O)C(=O)O Amb2818222 [2,0,0,0,0,0|1,0,1]=4 1523 B7R0.5 CCCC(S)C(=O)O Amb18124440 [2,0,0,0,0,0|1,0,1]=4 1524 B7R0.5 CCC[C@@H](C)C(=O)O Amb10844028 [2,0,0,0,0,0|1,0,1]=4 1525 B7R0.5 CCC[C@@H](Cl)C(=O)O Amb27266071 [2,0,0,0,0,0|1,0,1]=4 1526 B7R0.5 CCC[C@@H](N)C(=O)O Amb8514700 [2,0,0,0,0,0|0,0,1]=3 1527 B7R0.5 CCC[C@@H](N)C(C)=O Amb35659946 [2,0,0,0,0,0|1,0,1]=4 1528 B7R0.5 CCC[C@@H](N)C(N)=O Amb22745048 [2,0,0,0,0,0|1,0,1]=4 1529 B7R0.5 CCC[C@@H](N)C(N)=O Amb24505187 [2,0,0,0,0,0|1,0,1]=4 1530 B7R0.5 CCC[C@@H](O)C(=O)O Amb22746731 [2,0,0,0,0,0|1,0,1]=4 1531 B7R0.5 CCC[C@H](Br)C(=O)O Amb26515784 [2,0,0,0,0,0|1,0,1]=4 1532 B7R0.5 CCC[C@H](C)C(=O)O Amb10844037 [2,0,0,0,0,0|1,0,1]=4 1533 B7R0.5 CCC[C@H](Cl)C(=O)O Amb27801931 [2,0,0,0,0,0|1,0,1]=4 1534 B7R0.5 CCC[C@H](N)C(=O)O Amb30647420 [2,0,0,0,0,0|0,0,1]=3 1535 B7R0.5 CCC[C@H](N)C(=O)O Amb8514701 [2,0,0,0,0,0|0,0,1]=3 1536 B7R0.5 CCC[C@H](N)C(C)=O Amb35662324 [2,0,0,0,0,0|1,0,1]=4 1537 B7R0.5 CCC[C@H](N)C(N)=O Amb26916392 [2,0,0,0,0,0|1,0,1]=4 1538 B7R0.5 CCC[C@H](N)C(N)=O Amb33813498 [2,0,0,0,0,0|1,0,1]=4 1539 B7R0.5 CCC[C@H](O)C(=O)O Amb22226514 [2,0,0,0,0,0|1,0,1]=4 1540 B7R0.5 CCC[C@H](S)C(=O)O Amb28045752 [2,0,0,0,0,0|1,0,1]=4 1541 B7R0.5 CCOC(C)C(=O)O Amb9725271 [2,0,0,0,0,0|1,0,1]=4 1542 B7R0.5 CCOC(F)C(=O)O Amb27210743 [2,0,0,0,0,0|1,0,1]=4 1543 B7R0.5 CNCC(C)C(=O)O Amb13952364 [2,0,0,0,0,0|2,0,0]=4 1544 B7R0.5 CNCC(C)C(=O)O Amb9400281 [2,0,0,0,0,0|2,0,0]=4 1545 B7R0.5 CNCC(N)C(=O)O Amb10845350 [2,0,0,0,0,0|1,0,0]=3 1546 B7R0.5 CNCC(O)C(=O)O Amb26894610 [2,0,0,0,0,0|2,0,0]=4 1547 B7R0.5 CNC[C@H](N)C(=O)O Amb17617148 [2,0,0,0,0,0|1,0,0]=3 1548 B7R0.5 CNC[C@H](N)C(=O)O Amb19892230 [2,0,0,0,0,0|1,0,0]=3 1549 B7R0.5 COCC(Br)C(=O)Cl Amb27797270 [2,0,0,0,0,0|2,0,0]=4 1550 B7R0.5 COCC(Br)C(=O)O Amb17594709 [2,0,0,0,0,0|1,0,0]=3 1551 B7R0.5 COCC(C)C(=O)O Amb33545090 [2,0,0,0,0,0|1,0,0]=3 1552 B7R0.5 COCC(C)C(C)=O Amb24683449 [2,0,0,0,0,0|2,0,0]=4 1553 B7R0.5 COCC(C)C(N)=O Amb27401584 [2,0,0,0,0,0|2,0,0]=4 1554 B7R0.5 COCC(Cl)C(=O)O Amb10068384 [2,0,0,0,0,0|1,0,0]=3 1555 B7R0.5 COCC(N)C(=O)O Amb33551350 [2,0,0,0,0,0|0,0,0]=2 1556 B7R0.5 COCC(N)C(=O)O Amb6752055 [2,0,0,0,0,0|0,0,0]=2 1557 B7R0.5 COCC(N)C(C)=O Amb27468401 [2,0,0,0,0,0|1,0,0]=3 1558 B7R0.5 COCC(N)C(C)O Amb18124266 [2,0,0,0,0,0|1,0,1]=4 1559 B7R0.5 COCC(N)C(N)=O Amb18984372 [2,0,0,0,0,0|1,0,0]=3 1560 B7R0.5 COCC(N)C(N)=O Amb32693410 [2,0,0,0,0,0|1,0,0]=3 1561 B7R0.5 COCC(O)C(=O)O Amb18124273 [2,0,0,0,0,0|1,0,0]=3 1562 B7R0.5 COCC(O)C(N)=O Amb28069186 [2,0,0,0,0,0|2,0,0]=4 1563 B7R0.5 COCC(S)C(=O)O Amb27763656 [2,0,0,0,0,0|1,0,0]=3 1564 B7R0.5 COC[C@@H](C)C(=O)O Amb26599229 [2,0,0,0,0,0|1,0,0]=3 1565 B7R0.5 COC[C@@H](N)C(=O)O Amb10604051 [2,0,0,0,0,0|0,0,0]=2 1566 B7R0.5 COC[C@@H](N)C(=O)O Amb22744762 [2,0,0,0,0,0|0,0,0]=2 1567 B7R0.5 COC[C@@H](N)[C@H](C)O Amb27843279 [2,0,0,0,0,0|1,0,1]=4 1568 B7R0.5 COC[C@H](C)C(=O)O Amb10844266 [2,0,0,0,0,0|1,0,0]=3 1569 B7R0.5 COC[C@H](N)C(=O)O Amb33801358 [2,0,0,0,0,0|0,0,0]=2 1570 B7R0.5 COC[C@H](N)C(=O)O Amb8515080 [2,0,0,0,0,0|0,0,0]=2 1571 B7R0.5 COC[C@H](O)C(=O)O Amb27778843 [2,0,0,0,0,0|1,0,0]=3 1572 B7R0.5 CON[C@@H](C)C(=O)O Amb27862116 [2,0,0,0,0,0|2,0,0]=4 1573 B7R0.5 CO\C=C(\N)C(=O)O Amb27390812 [2,0,0,0,0,0|0,0,2]=4 1574 B7R0.5 CSCC(C)C(=O)O Amb18967825 [2,0,0,0,0,0|1,1,0]=4 1575 B7R0.5 CSCC(Cl)C(=O)O Amb26878419 [2,0,0,0,0,0|1,1,0]=4 1576 B7R0.5 CSCC(N)C(=O)O Amb33804791 [2,0,0,0,0,0|0,1,0]=3 1577 B7R0.5 CSCC(N)C(=O)O Amb6280829 [2,0,0,0,0,0|0,1,0]=3 1578 B7R0.5 CSCC(O)C(=O)O Amb25131873 [2,0,0,0,0,0|1,1,0]=4 1579 B7R0.5 CSC[C@@H](C)C(=O)O Amb26047434 [2,0,0,0,0,0|1,1,0]=4 1580 B7R0.5 CSC[C@@H](N)C(=O)O Amb9813743 [2,0,0,0,0,0|0,1,0]=3 1581 B7R0.5 CSC[C@H](N)C(=O)O Amb6364886 [2,0,0,0,0,0|0,1,0]=3 1582 B7R0.5 CSC[C@H](N)C(N)=O Amb27607700 [2,0,0,0,0,0|1,1,0]=4 1583 B7R0.5 C[C@H](NC=O)C(=O)O Amb28323701 [2,0,0,0,0,0|2,0,0]=4 1584 B7R0.5 C[Se]C[C@@H](N)C(=O)O Amb22745692 [2,0,0,0,0,0|0,1,0]=3 1585 B7R0.5 C[Se]C[C@H](N)C(=O)O Amb10601626 [2,0,0,0,0,0|0,1,0]=3 1586 B7R0.5 C\C=C\C(Br)C(=O)O Amb27451575 [2,0,0,0,0,0|1,0,1]=4 1587 B7R0.5 C\C=C\C(O)C(=O)O Amb30585115 [2,0,0,0,0,0|1,0,1]=4 1588 B7R0.5 C\C=C\[C@@H](N)C(=O)O Amb27948524 [2,0,0,0,0,0|0,0,1]=3 1589 B7R0.5 C\C=C\[C@@H](O)C(=O)O Amb28368832 [2,0,0,0,0,0|1,0,1]=4 1590 B7R0.5 C\C=C\[C@H](O)C(=O)O Amb27162651 [2,0,0,0,0,0|1,0,1]=4 1591 B7R0.5 N#CCC(N)C(=O)O Amb18641766 [2,0,0,0,0,0|1,0,1]=4 1592 B7R0.5 N#CC[C@@H](N)C(=O)O Amb26397494 [2,0,0,0,0,0|1,0,1]=4 1593 B7R0.5 N#CC[C@H](N)C(=O)O Amb16183916 [2,0,0,0,0,0|1,0,1]=4 1594 B7R0.5 NC(CCBr)C(=O)O Amb21858417 [2,0,0,0,0,0|1,0,1]=4 1595 B7R0.5 NC(CCCl)C(=O)O Amb28241385 [2,0,0,0,0,0|1,0,1]=4 1596 B7R0.5 NC(CCF)C(=O)O Amb25889337 [2,0,0,0,0,0|1,0,1]=4 1597 B7R0.5 NC(CCF)C(=O)O Amb28934889 [2,0,0,0,0,0|1,0,1]=4 1598 B7R0.5 NC(CCO)C(=O)O Amb8514287 [2,0,0,0,0,0|0,0,2]=4 1599 B7R0.5 NC(CCS)C(=O)O Amb19267093 [2,0,0,0,0,0|0,1,1]=4 1600 B7R0.5 NC(CCS)C(=O)O Amb3499433 [2,0,0,0,0,0|0,1,1]=4 1601 B7R0.5 NC(CNO)C(=O)O Amb4092732 [2,0,0,0,0,0|1,0,1]=4 1602 B7R0.5 NC(CO[SiH3])C(=O)O Amb27461306 [2,0,0,0,0,0|0,1,0]=3 1603 B7R0.5 NC(\C=C\F)C(=O)O Amb27666430 [2,0,0,0,0,0|1,0,1]=4 1604 B7R0.5 NCCC(N)C(=O)O Amb2697841 [2,0,0,0,0,0|1,0,1]=4 1605 B7R0.5 NCCC(N)C(=O)O Amb8514694 [2,0,0,0,0,0|1,0,1]=4 1606 B7R0.5 NCC[C@@H](N)C(=O)O Amb16183852 [2,0,0,0,0,0|1,0,1]=4 1607 B7R0.5 NCC[C@@H](N)C(=O)O Amb23438994 [2,0,0,0,0,0|1,0,1]=4 1608 B7R0.5 NCC[C@@H](N)C(=O)O Amb8390364 [2,0,0,0,0,0|1,0,1]=4 1609 B7R0.5 NCC[C@H](N)C(=O)O Amb16183862 [2,0,0,0,0,0|1,0,1]=4 1610 B7R0.5 NCC[C@H](N)C(=O)O Amb2720151 [2,0,0,0,0,0|1,0,1]=4 1611 B7R0.5 NCC[C@H](N)C(=O)O Amb33812683 [2,0,0,0,0,0|1,0,1]=4 1612 B7R0.5 NCC[C@H](N)C(=O)O Amb9825390 [2,0,0,0,0,0|1,0,1]=4 1613 B7R0.5 NOCC(N)C(=O)O Amb24184086 [2,0,0,0,0,0|1,0,0]=3 1614 B7R0.5 N[C@@H](CCBr)C(=O)O Amb8515827 [2,0,0,0,0,0|1,0,1]=4 1615 B7R0.5 N[C@@H](CCF)C(=O)O Amb26458628 [2,0,0,0,0,0|1,0,1]=4 1616 B7R0.5 N[C@@H](CCO)C(=O)O Amb20242705 [2,0,0,0,0,0|0,0,2]=4 1617 B7R0.5 N[C@@H](CCO)C(=O)O Amb6600040 [2,0,0,0,0,0|0,0,2]=4 1618 B7R0.5 N[C@@H](CCS)C(=O)O Amb6600039 [2,0,0,0,0,0|0,1,1]=4 1619 B7R0.5 N[C@@H](OCS)C(=O)O Amb27591629 [2,0,0,0,0,0|0,1,1]=4 1620 B7R0.5 N[C@@H](\C=C/F)C(=O)O Amb27447269 [2,0,0,0,0,0|1,0,1]=4 1621 B7R0.5 N[C@H](CC=O)C(=O)O Amb27839576 [2,0,0,0,0,0|0,0,0]=2 1622 B7R0.5 N[C@H](CCF)C(=O)O Amb27206623 [2,0,0,0,0,0|1,0,1]=4 1623 B7R0.5 N[C@H](CCI)C(=O)O Amb27600675 [2,0,0,0,0,0|1,0,1]=4 1624 B7R0.5 N[C@H](CCO)C(=O)O Amb4166299 [2,0,0,0,0,0|0,0,2]=4 1625 B7R0.5 N[C@H](C[SH]=O)C(=O)O Amb27596028 [2,0,0,0,0,0|0,1,0]=3 1626 B7R0.5 O=CCC(=O)C(=O)O Amb26326260 [2,0,0,0,0,0|1,0,1]=4 1627 B7R0.6 C=C(C)COC(C)=O Amb16187121 [2,0,0,0,0,0|1,0,1]=4 1628 B7R0.6 C=C(Cl)COC(C)=O Amb24744447 [2,0,0,0,0,0|1,0,1]=4 1629 B7R0.6 CC(=O)CCC(C)O Amb25829594 [2,0,0,0,0,0|2,0,0]=4 1630 B7R0.6 CC(=O)CCC(N)=O Amb17142854 [2,0,0,0,0,0|1,0,1]=4 1631 B7R0.6 CC(=O)CC[C@@H](C)O Amb22351150 [2,0,0,0,0,0|2,0,0]=4 1632 B7R0.6 CC(=O)COC(C)=O Amb8517567 [2,0,0,0,0,0|1,0,1]=4 1633 B7R0.6 CC(=O)NCC(C)N Amb18631377 [2,0,0,0,0,0|1,0,1]=4 1634 B7R0.6 CC(=O)NCC(C)O Amb9276316 [2,0,0,0,0,0|2,0,0]=4 1635 B7R0.6 CC(=O)NCC(N)=O Amb17231824 [2,0,0,0,0,0|1,0,1]=4 1636 B7R0.6 CC(=O)OCC(=O)Cl Amb3939160 [2,0,0,0,0,0|1,0,1]=4 1637 B7R0.6 CC(=O)OCC(=O)O Amb1151259 [2,0,0,0,0,0|1,0,1]=4 1638 B7R0.6 CC(=O)OCC(C)Br Amb25360690 [2,0,0,0,0,0|1,0,1]=4 1639 B7R0.6 CC(=O)OCC(C)O Amb24056158 [2,0,0,0,0,0|1,0,0]=3 1640 B7R0.6 CC(=O)OCC(F)F Amb10839327 [2,0,0,0,0,0|2,0,0]=4 1641 B7R0.6 CC(=O)OCC(N)=O Amb24670486 [2,0,0,0,0,0|0,0,1]=3 1642 B7R0.6 CC(=O)OCC(N)=S Amb9677330 [2,0,0,0,0,0|0,1,1]=4 1643 B7R0.6 CC(=O)OC[C@H](C)Br Amb27878701 [2,0,0,0,0,0|1,0,1]=4 1644 B7R0.6 CC(=O)OC[C@H](C)O Amb28315156 [2,0,0,0,0,0|1,0,0]=3 1645 B7R0.6 CC(=O)ONC(N)=O Amb28456585 [2,0,0,0,0,0|1,0,1]=4 1646 B7R0.6 CC(=O)SCC(C)O Amb27801534 [2,0,0,0,0,0|1,1,0]=4 1647 B7R0.6 CC(=O)SCC(N)=O Amb22353247 [2,0,0,0,0,0|0,1,1]=4 1648 B7R0.6 CC(N)COC(N)=O Amb29849466 [2,0,0,0,0,0|1,0,1]=4 1649 B7R0.6 CC(O)COC(N)=O Amb26359577 [2,0,0,0,0,0|2,0,0]=4 1650 B7R0.6 CC(O)COS(C)=O Amb27982299 [2,0,0,0,0,0|2,0,0]=4 1651 B9R0.6 C=CCC(C)C(N)C(=O)O Amb26381874 [1,1,0,0,0,0|1,0,1]=4 1652 B9R0.6 C=CCC(C)[C@@H](N)C(=O)O Amb33037030 [1,1,0,0,0,0|1,0,1]=4 1653 B9R0.6 C=CCC(C)[C@H](N)C(=O)O Amb32865926 [1,1,0,0,0,0|1,0,1]=4 1654 B9R0.6 CC(CC=O)C(C)C(=O)O Amb18644133 [1,1,0,0,0,0|2,0,0]=4 1655 B9R0.6 CC(OC=O)C(N)C(=O)O Amb27456598 [1,1,0,0,0,0|0,0,0]=2 1656 B9R0.6 CCCC(C)C(N)C(=O)O Amb20622789 [1,1,0,0,0,0|1,0,1]=4 1657 B9R0.6 CCCC(C)[C@@H](N)C(=O)O Amb26624121 [1,1,0,0,0,0|1,0,1]=4 1658 B9R0.6 CCCC(C)[C@H](N)C(=O)O Amb26512364 [1,1,0,0,0,0|1,0,1]=4 1659 B9R0.6 CCCC(F)C(N)C(=O)O Amb10839857 [1,1,0,0,0,0|1,0,1]=4 1660 B9R0.6 CCCC(O)C(N)C(=O)O Amb18124815 [1,1,0,0,0,0|1,0,1]=4 1661 B9R0.6 CCCC(O)[C@H](N)C(=O)O Amb26635079 [1,1,0,0,0,0|1,0,1]=4 1662 B9R0.6 CCCC(S)C(N)C(=O)O Amb27860699 [1,1,0,0,0,0|1,0,1]=4 1663 B9R0.6 CCCC(S)[C@@H](N)C(=O)O Amb27759942 [1,1,0,0,0,0|1,0,1]=4 1664 B9R0.6 CCC[C@@H](O)[C@@H](N)C(=O)O Amb25367288 [1,1,0,0,0,0|1,0,1]=4 1665 B9R0.6 CCC[C@@H](O)[C@H](N)C(=O)O Amb24715802 [1,1,0,0,0,0|1,0,1]=4 1666 B9R0.6 CCC[C@H](C)[C@@H](N)C(=O)O Amb27801051 [1,1,0,0,0,0|1,0,1]=4 1667 B9R0.6 CCC[C@H](C)[C@H](N)C(=O)O Amb29838293 [1,1,0,0,0,0|1,0,1]=4 1668 B9R0.6 CCC[C@H](O)[C@@H](N)C(=O)O Amb26415873 [1,1,0,0,0,0|1,0,1]=4 1669 B9R0.6 CCC[C@H](O)[C@H](N)C(=O)O Amb25113866 [1,1,0,0,0,0|1,0,1]=4 1670 B9R0.6 CCOC(C)C(C)C(=O)O Amb33427356 [1,1,0,0,0,0|1,0,1]=4 1671 B9R0.6 CCOC(C)C(N)C(=O)O Amb25887694 [1,1,0,0,0,0|0,0,1]=3 1672 B9R0.6 CCOC(C)C(N)C(N)=O Amb33037044 [1,1,0,0,0,0|1,0,1]=4 1673 B9R0.6 CCOC(C)C(O)C(=O)O Amb33425709 [1,1,0,0,0,0|1,0,1]=4 1674 B9R0.6 CCOC(C)[C@@H](N)C(=O)O Amb33065865 [1,1,0,0,0,0|0,0,1]=3 1675 B9R0.6 CCOC(C)[C@H](N)C(=O)O Amb33065957 [1,1,0,0,0,0|0,0,1]=3 1676 B9R0.6 CCO[C@H](C)[C@@H](N)C(=O)O Amb22747686 [1,1,0,0,0,0|0,0,1]=3 1677 B9R0.6 CCSC(C)C(N)C(=O)O Amb26359481 [1,1,0,0,0,0|0,1,1]=4 1678 B9R0.6 COCC(C)C(N)C(=O)O Amb24116980 [1,1,0,0,0,0|2,0,0]=4 1679 B9R0.6 COCC(C)[C@@H](N)C(=O)O Amb26467489 [1,1,0,0,0,0|2,0,0]=4 1680 B9R0.6 COCC(C)[C@H](N)C(=O)O Amb25729786 [1,1,0,0,0,0|2,0,0]=4 1681 B9R0.6 COCC(O)C(N)C(=O)O Amb25147551 [1,1,0,0,0,0|2,0,0]=4 1682 B9R0.6 CSCC(C)C(N)C(=O)O Amb27161222 [1,1,0,0,0,0|2,0,0]=4 1683 B9R0.6 CSCC(C)[C@H](N)C(=O)O Amb28137881 [1,1,0,0,0,0|2,0,0]=4 1684 B9R0.6 CSCC(O)C(N)C(=O)O Amb18646340 [1,1,0,0,0,0|2,0,0]=4 1685 B9R0.6 CSC[C@@H](C)C(N)C(=O)O Amb27629392 [1,1,0,0,0,0|2,0,0]=4 1686 B9R0.6 CSC[C@H](O)[C@@H](N)C(=O)O Amb28320767 [1,1,0,0,0,0|2,0,0]=4 1687 B9R0.6 C[C@@H](OC=O)[C@H](N)C(=O)O Amb27972267 [1,1,0,0,0,0|0,0,0]=2 1688 B9R0.6 C[C@H](C(=O)O)[C@@H](C)OC=O Amb27391147 [1,1,0,0,0,0|1,0,0]=3 1689 B9R0.6 C[C@H](OC=O)[C@H](C)C(=O)O Amb27620887 [1,1,0,0,0,0|1,0,0]=3 1690 B9R0.6 C\C=C\C(C)C(C)C(=O)O Amb28346501 [1,1,0,0,0,0|2,0,0]=4 1691 B9R0.6 C\C=C\[C@@H](C)[C@H](Br)C(=O)O Amb27849000 [1,1,0,0,0,0|2,0,0]=4 1692 B9R0.6 C\C=C\[C@H](C)[C@H](C)C(=O)O Amb27630536 [1,1,0,0,0,0|2,0,0]=4 1693 B9R0.8 C=CCCC(N)C(=O)OC Amb27866671 [1,1,0,0,0,0|1,0,1]=4 1694 B9R0.8 C=CCCC(N)C(=O)OC Amb32794772 [1,1,0,0,0,0|1,0,1]=4 1695 B9R0.8 C=CCC[C@@H](N)C(=O)OC Amb27389875 [1,1,0,0,0,0|1,0,1]=4 1696 B9R0.8 C=CCC[C@H](N)C(=O)OC Amb28134398 [1,1,0,0,0,0|1,0,1]=4 1697 B9R0.8 CC#CCC(N)C(=O)OC Amb25076019 [1,1,0,0,0,0|1,0,1]=4 1698 B9R0.8 CCCCC(N)C(=O)NO Amb22059372 [1,1,0,0,0,0|1,0,1]=4 1699 B9R0.8 CCCCC(N)C(=O)OC Amb9330294 [1,1,0,0,0,0|1,0,1]=4 1700 B9R0.8 CCCCC(N)C(=O)OC Amb9825492 [1,1,0,0,0,0|1,0,1]=4 1701 B9R0.8 CCCC[C@@H](N)C(=O)OC Amb16183949 [1,1,0,0,0,0|1,0,1]=4 1702 B9R0.8 CCCC[C@@H](N)C(=O)OC Amb22745342 [1,1,0,0,0,0|1,0,1]=4 1703 B9R0.8 CCCC[C@H](N)C(=O)OC Amb22169631 [1,1,0,0,0,0|1,0,1]=4 1704 B9R0.8 CCCC[C@H](N)C(=O)OC Amb26391986 [1,1,0,0,0,0|1,0,1]=4 1705 B9R0.8 CCOCC(Br)C(=O)OC Amb27443366 [1,1,0,0,0,0|1,0,1]=4 1706 B9R0.8 CCOCC(N)C(=O)OC Amb26578258 [1,1,0,0,0,0|0,0,1]=3 1707 B9R0.8 CCOC[C@@H](N)C(=O)OC Amb24478281 [1,1,0,0,0,0|0,0,1]=3 1708 B9R0.8 CCOC[C@H](N)C(=O)OC Amb26047386 [1,1,0,0,0,0|0,0,1]=3 1709 B9R0.8 CCSCC(N)C(=O)OC Amb18788226 [1,1,0,0,0,0|0,1,1]=4 1710 B9R0.8 CNCCC(N)C(=O)OC Amb32993440 [1,1,0,0,0,0|2,0,0]=4 1711 B9R0.8 COC(=O)C(C)CNC=O Amb27636245 [1,1,0,0,0,0|2,0,0]=4 1712 B9R0.8 COC(=O)C(N)CCSC Amb1152979 [1,1,0,0,0,0|2,0,0]=4 1713 B9R0.8 COC(=O)C(N)CCSC Amb2720119 [1,1,0,0,0,0|2,0,0]=4 1714 B9R0.8 COC(=O)C(N)CNC=O Amb28077501 [1,1,0,0,0,0|1,0,0]=3 1715 B9R0.8 COC(=O)C(N)C\C=C\Cl Amb33066166 [1,1,0,0,0,0|2,0,0]=4 1716 B9R0.8 COC(=O)[C@@H](N)CCSC Amb533934 [1,1,0,0,0,0|2,0,0]=4 1717 B9R0.8 COC(=O)[C@@H](N)CCSC Amb8390413 [1,1,0,0,0,0|2,0,0]=4 1718 B9R0.8 COC(=O)[C@H](N)CCSC Amb3939028 [1,1,0,0,0,0|2,0,0]=4 1719 B9R0.8 COC(=O)[C@H](N)CCSC Amb9826085 [1,1,0,0,0,0|2,0,0]=4 1720 B9R0.8 COCCC(N)C(=O)OC Amb24053179 [1,1,0,0,0,0|2,0,0]=4 1721 B9R0.8 COCCC(N)C(=O)OC Amb28555457 [1,1,0,0,0,0|2,0,0]=4 1722 B9R0.8 COCC[C@H](N)C(=O)OC Amb27880632 [1,1,0,0,0,0|2,0,0]=4 1723 B9R0.8 CSCCC(N)C(=O)NO Amb22349956 [1,1,0,0,0,0|2,0,0]=4 1724 B9R0.8 CSCC[C@@H](N)C(=O)NO Amb27592841 [1,1,0,0,0,0|2,0,0]=4 1725 B9R0.8 CSCC[C@H](N)C(=O)NO Amb26846759 [1,1,0,0,0,0|2,0,0]=4 1726 B9R0.8 CSCC[C@H](N)C(=O)O[Zn+] Amb20241025 [1,1,0,0,0,0|2,0,0]=4 1727 B9R0.8 C\C=C\CC(N)C(=O)OC Amb26348150 [1,1,0,0,0,0|1,0,0]=3 1728 B9R0.8 C\C=C\CC(O)C(=O)OC Amb27588872 [1,1,0,0,0,0|2,0,0]=4 1729 B9R0.8 C\C=C\C[C@@H](N)C(=O)OC Amb27169570 [1,1,0,0,0,0|1,0,0]=3 1730 B9R0.13 CCC(CCC=O)C(=O)O Amb27216961 [1,1,0,0,0,0|2,0,0]=4 1731 B9R0.13 CCCCC(CN)C(=O)O Amb26978768 [1,1,0,0,0,0|1,0,1]=4 1732 B9R0.13 CCCCC(NC)C(=O)O Amb24116642 [1,1,0,0,0,0|1,0,1]=4 1733 B9R0.13 CCCCC(NCl)C(=O)O Amb27863591 [1,1,0,0,0,0|1,0,1]=4 1734 B9R0.13 CCCCC(NN)C(=O)O Amb18644274 [1,1,0,0,0,0|1,0,1]=4 1735 B9R0.13 CCCCC(NO)C(=O)O Amb27619251 [1,1,0,0,0,0|1,0,1]=4 1736 B9R0.13 CCCC[C@@H](CN)C(=O)O Amb27812140 [1,1,0,0,0,0|1,0,1]=4 1737 B9R0.13 CCCC[C@@H](NC)C(=O)O Amb22799980 [1,1,0,0,0,0|1,0,1]=4 1738 B9R0.13 CCCC[C@@H](NO)C(=O)O Amb27162541 [1,1,0,0,0,0|1,0,1]=4 1739 B9R0.13 CCCC[C@H](NC)C(=O)O Amb25887554 [1,1,0,0,0,0|1,0,1]=4 1740 B9R0.13 CCOC[C@H](NC)C(=O)O Amb33347475 [1,1,0,0,0,0|0,0,1]=3 1741 B9R0.13 CCSCC(CN)C(=O)O Amb33324076 [1,1,0,0,0,0|0,1,1]=4 1742 B9R0.13 CNC(CCSC)C(=O)O Amb18792506 [1,1,0,0,0,0|2,0,0]=4 1743 B9R0.13 CN[C@@H](CCSC)C(=O)O Amb26844419 [1,1,0,0,0,0|2,0,0]=4 1744 B9R0.13 CN[C@H](CCSC)C(=O)O Amb27974159 [1,1,0,0,0,0|2,0,0]=4 1745 B9R0.13 COCCC(CN)C(=O)O Amb24697893 [1,1,0,0,0,0|2,0,0]=4 1746 B9R0.13 CSCCC(CN)C(=O)O Amb24618199 [1,1,0,0,0,0|2,0,0]=4 1747 B9R0.13 CSCCC(NCl)C(=O)O Amb27635192 [1,1,0,0,0,0|2,0,0]=4 1748 B9R0.13 CSCCC(NF)C(=O)O Amb27233599 [1,1,0,0,0,0|2,0,0]=4 1749 B9R0.13 CSCC[C@@H](CN)C(=O)O Amb28458297 [1,1,0,0,0,0|2,0,0]=4 1750 B9R0.13 C\C=C\CC(C#N)C(=O)O Amb35741469 [1,1,0,0,0,0|1,0,1]=4 1751 B9R0.13 C\C=C\CC(CC)C(=O)O Amb18643880 [1,1,0,0,0,0|2,0,0]=4 1752 B9R0.13 C\C=C\CC(OC)C(=O)O Amb18644117 [1,1,0,0,0,0|2,0,0]=4 1753 B9R0.13 C\C=C\C[C@H](OC)C(=O)O Amb27230104 [1,1,0,0,0,0|2,0,0]=4 1754 B9R0.42 C=C(CC)CC(N)C(=O)O Amb28064280 [1,1,0,0,0,0|1,0,1]=4 1755 B9R0.42 C=C(CC)C[C@@H](N)C(=O)O Amb26340266 [1,1,0,0,0,0|1,0,1]=4 1756 B9R0.42 C=C(CC)C[C@H](N)C(=O)O Amb25694434 [1,1,0,0,0,0|1,0,1]=4 1757 B9R0.42 CCC(=O)CC(N)C(=O)O Amb22546324 [1,1,0,0,0,0|1,0,1]=4 1758 B9R0.42 CCC(=O)CC(N)C(=O)O Amb24479073 [1,1,0,0,0,0|1,0,1]=4 1759 B9R0.42 CCC(=O)C[C@@H](N)C(=O)O Amb26061186 [1,1,0,0,0,0|1,0,1]=4 1760 B9R0.42 CCC(=O)C[C@H](N)C(=O)O Amb24479266 [1,1,0,0,0,0|1,0,1]=4 1761 B9R0.42 CCC(C)CC(N)C(=O)O Amb18313985 [1,1,0,0,0,0|1,0,1]=4 1762 B9R0.42 CCC(C)CC(N)C(=O)O Amb20667726 [1,1,0,0,0,0|1,0,1]=4 1763 B9R0.42 CCC(C)C[C@@H](N)C(=O)O Amb25127143 [1,1,0,0,0,0|1,0,1]=4 1764 B9R0.42 CCC(C)C[C@H](N)C(=O)O Amb27471067 [1,1,0,0,0,0|1,0,1]=4 1765 B9R0.42 CCC(N)CC(N)C(=O)O Amb27205091 [1,1,0,0,0,0|1,0,1]=4 1766 B9R0.42 CCC(O)CC(N)C(=O)O Amb24117068 [1,1,0,0,0,0|1,0,1]=4 1767 B9R0.42 CCC(O)C[C@@H](N)C(=O)O Amb33065603 [1,1,0,0,0,0|1,0,1]=4 1768 B9R0.42 CCC(O)C[C@H](N)C(=O)O Amb24759913 [1,1,0,0,0,0|1,0,1]=4 1769 B9R0.42 CCN(C)CC(N)C(=O)O Amb27478110 [1,1,0,0,0,0|1,0,1]=4 1770 B9R0.42 CCS(=O)C[C@H](N)C(=O)O Amb28118843 [1,1,0,0,0,0|0,1,1]=4 1771 B9R0.42 CC[C@H](C)CC(N)C(=O)O Amb28364291 [1,1,0,0,0,0|1,0,1]=4 1772 B9R0.42 CC[C@H](C)C[C@H](N)C(=O)O Amb25662528 [1,1,0,0,0,0|1,0,1]=4 1773 B9R0.42 CC[C@H](C)C[C@H](N)C(=O)O Amb33620552 [1,1,0,0,0,0|1,0,1]=4 1774 B9R0.42 CNC(=O)CC(N)C(=O)O Amb27839034 [1,1,0,0,0,0|2,0,0]=4 1775 B9R0.42 CNC(=O)C[C@@H](N)C(=O)O Amb20240891 [1,1,0,0,0,0|2,0,0]=4 1776 B9R0.42 COC(=O)CC(N)C(=O)O Amb22489498 [1,1,0,0,0,0|2,0,0]=4 1777 B9R0.42 COC(=O)CC(N)C(=O)O Amb7172558 [1,1,0,0,0,0|2,0,0]=4 1778 B9R0.42 COC(=O)CC(N)C(=O)O Amb8390391 [1,1,0,0,0,0|2,0,0]=4 1779 B9R0.42 COC(=O)C[C@@H](N)C(=O)O Amb22745861 [1,1,0,0,0,0|2,0,0]=4 1780 B9R0.42 COC(=O)C[C@@H](N)C(=O)O Amb8385327 [1,1,0,0,0,0|2,0,0]=4 1781 B9R0.42 COC(=O)C[C@H](N)C(=O)O Amb8629121 [1,1,0,0,0,0|2,0,0]=4 1782 B9R0.42 COC(C)CC(N)C(=O)O Amb25147752 [1,1,0,0,0,0|2,0,0]=4 1783 B9R0.42 COC(C)C[C@@H](N)C(=O)O Amb24412403 [1,1,0,0,0,0|2,0,0]=4 1784 B9R0.42 COC(C)C[C@H](N)C(=O)O Amb27801695 [1,1,0,0,0,0|2,0,0]=4 1785 B9R0.42 CSC(C)C[C@H](N)C(=O)O Amb28208334 [1,1,0,0,0,0|2,0,0]=4 1786 B9R0.42 CS[C@@H](C)C[C@@H](N)C(=O)O Amb27755570 [1,1,0,0,0,0|2,0,0]=4 1787 B9R0.42 C\C(=C/Cl)CC(N)C(=O)O Amb25934493 [1,1,0,0,0,0|2,0,0]=4 1788 B9R0.42 C\C(=C/Cl)C[C@@H](N)C(=O)O Amb27168937 [1,1,0,0,0,0|2,0,0]=4 1789 B9R0.42 C\C(=C/Cl)C[C@H](N)C(=O)O Amb26888703 [1,1,0,0,0,0|2,0,0]=4 1790 B9R0.42 C\C=C(/C)C[C@H](N)C(=O)O Amb27827659 [1,1,0,0,0,0|1,0,0]=3 1791 B9R0.42 NC(CC(O)C=O)C(=O)O Amb28126784 [1,1,0,0,0,0|1,0,0]=3 1792 B9R0.42 NC(C\C(Cl)=C\Cl)C(=O)O Amb27232854 [1,1,0,0,0,0|2,0,0]=4 1793 B9R0.42 NC(\C=C(\P)C=O)C(=O)O Amb25361040 [1,1,0,0,0,0|1,0,1]=4 1794 B9R0.42 N[C@@H](CN(O)N=O)C(=O)O Amb17607759 [1,1,0,0,0,0|2,0,0]=4 1795 B9R0.42 N[C@H](CN(O)N=O)C(=O)O Amb27976802 [1,1,0,0,0,0|2,0,0]=4 1796 B9R0.42 N\C=C(/N)CC(N)C(=O)O Amb28250396 [1,1,0,0,0,0|2,0,0]=4 1797 B9R0.47 C#CCOC[C@H](N)C(=O)O Amb27644036 [1,1,0,0,0,0|0,0,2]=4 1798 B9R0.47 C#C\C=C\CC(N)C(=O)O Amb25147384 [1,1,0,0,0,0|1,0,1]=4 1799 B9R0.47 C=CCCCC(N)C(=O)O Amb22002149 [1,1,0,0,0,0|1,0,1]=4 1800 B9R0.47 C=CCCCC(N)C(=O)O Amb32752542 [1,1,0,0,0,0|1,0,1]=4 1801 B9R0.47 C=CCCC[C@@H](N)C(=O)O Amb22831130 [1,1,0,0,0,0|1,0,1]=4 1802 B9R0.47 C=CCCC[C@@H](N)C(=O)O Amb32687472 [1,1,0,0,0,0|1,0,1]=4 1803 B9R0.47 C=CCCC[C@H](N)C(=O)O Amb2699129 [1,1,0,0,0,0|1,0,1]=4 1804 B9R0.47 C=CCNCC(N)C(=O)O Amb27945606 [1,1,0,0,0,0|1,0,1]=4 1805 B9R0.47 C=CCOCC(N)C(=O)O Amb28048879 [1,1,0,0,0,0|0,0,1]=3 1806 B9R0.47 C=CCOCC(N)C(N)=O Amb26499253 [1,1,0,0,0,0|1,0,1]=4 1807 B9R0.47 C=CCOC[C@@H](N)C(=O)O Amb31030961 [1,1,0,0,0,0|0,0,1]=3 1808 B9R0.47 C=CCOC[C@@H](N)C(=O)O Amb32941137 [1,1,0,0,0,0|0,0,1]=3 1809 B9R0.47 C=CCOC[C@H](N)C(=O)O Amb24713287 [1,1,0,0,0,0|0,0,1]=3 1810 B9R0.47 C=CCSCC(N)C(=O)O Amb6270069 [1,1,0,0,0,0|0,1,1]=4 1811 B9R0.47 C=CCSC[C@@H](N)C(=O)O Amb10843878 [1,1,0,0,0,0|0,1,1]=4 1812 B9R0.47 C=CCSC[C@H](N)C(=O)O Amb22231426 [1,1,0,0,0,0|0,1,1]=4 1813 B9R0.47 C=CSCCC(N)C(=O)O Amb26658187 [1,1,0,0,0,0|0,1,1]=4 1814 B9R0.47 C=C\C=C\CC(N)C(=O)O Amb18643715 [1,1,0,0,0,0|1,0,1]=4 1815 B9R0.47 CC#CCCC(N)C(=O)O Amb28285646 [1,1,0,0,0,0|1,0,1]=4 1816 B9R0.47 CC#CCC[C@@H](N)C(=O)O Amb25835847 [1,1,0,0,0,0|1,0,1]=4 1817 B9R0.47 CC#CCC[C@H](N)C(=O)O Amb28368944 [1,1,0,0,0,0|1,0,1]=4 1818 B9R0.47 CC(CCNC=O)C(=O)O Amb27474434 [1,1,0,0,0,0|2,0,0]=4 1819 B9R0.47 CCCCCC(N)C(=O)O Amb4134810 [1,1,0,0,0,0|1,0,1]=4 1820 B9R0.47 CCCCC[C@@H](N)C(=O)O Amb22745982 [1,1,0,0,0,0|1,0,1]=4 1821 B9R0.47 CCCCC[C@H](N)C(=O)O Amb17943098 [1,1,0,0,0,0|1,0,1]=4 1822 B9R0.47 CCCCSC(N)C(=O)O Amb27760526 [1,1,0,0,0,0|1,0,1]=4 1823 B9R0.47 CCCOCC(Br)C(=O)O Amb27625667 [1,1,0,0,0,0|1,0,1]=4 1824 B9R0.47 CCCOCC(N)C(=O)O Amb24621740 [1,1,0,0,0,0|0,0,1]=3 1825 B9R0.47 CCCOCC(N)C(N)=O Amb27155900 [1,1,0,0,0,0|1,0,1]=4 1826 B9R0.47 CCCOC[C@@H](N)C(=O)O Amb27480715 [1,1,0,0,0,0|0,0,1]=3 1827 B9R0.47 CCCOC[C@H](N)C(=O)O Amb27223143 [1,1,0,0,0,0|0,0,1]=3 1828 B9R0.47 CCCSCC(N)C(=O)O Amb6265881 [1,1,0,0,0,0|0,1,1]=4 1829 B9R0.47 CCCSCC(N)C(=O)O Amb9176295 [1,1,0,0,0,0|0,1,1]=4 1830 B9R0.47 CCCSC[C@H](N)C(=O)O Amb27471340 [1,1,0,0,0,0|0,1,1]=4 1831 B9R0.47 CCNCCC(N)C(=O)O Amb932772 [1,1,0,0,0,0|1,0,1]=4 1832 B9R0.47 CCNCC[C@@H](N)C(=O)O Amb28520031 [1,1,0,0,0,0|1,0,1]=4 1833 B9R0.47 CCOCCC(N)C(=O)O Amb32671298 [1,1,0,0,0,0|0,0,1]=3 1834 B9R0.47 CCOCCC(N)C(=O)O Amb9316664 [1,1,0,0,0,0|0,0,1]=3 1835 B9R0.47 CCOCCC(N)C(C)=O Amb28055992 [1,1,0,0,0,0|1,0,1]=4 1836 B9R0.47 CCOCCC(N)C(N)=O Amb25354003 [1,1,0,0,0,0|1,0,1]=4 1837 B9R0.47 CCOCC[C@@H](N)C(=O)O Amb28187742 [1,1,0,0,0,0|0,0,1]=3 1838 B9R0.47 CCOCC[C@H](N)C(=O)O Amb26612670 [1,1,0,0,0,0|0,0,1]=3 1839 B9R0.47 CCOCOC(C)C(=O)O Amb27426180 [1,1,0,0,0,0|1,0,1]=4 1840 B9R0.47 CCOCO[C@H](C)C(=O)O Amb27765041 [1,1,0,0,0,0|1,0,1]=4 1841 B9R0.47 CCONCC(C)C(=O)O Amb27265783 [1,1,0,0,0,0|1,0,1]=4 1842 B9R0.47 CCONCC(N)C(N)=O Amb28045946 [1,1,0,0,0,0|1,0,1]=4 1843 B9R0.47 CCSCCC(N)C(=O)O Amb2137050 [1,1,0,0,0,0|0,1,1]=4 1844 B9R0.47 CCSCC[C@@H](N)C(=O)O Amb17613843 [1,1,0,0,0,0|0,1,1]=4 1845 B9R0.47 CCSCC[C@H](N)C(=O)O Amb17613844 [1,1,0,0,0,0|0,1,1]=4 1846 B9R0.47 CC\C=C\CC(C)C(=O)O Amb27838058 [1,1,0,0,0,0|2,0,0]=4 1847 B9R0.47 CC\C=C\CC(N)C(=O)O Amb25255710 [1,1,0,0,0,0|1,0,0]=3 1848 B9R0.47 CC\C=C\CC(N)C(=O)O Amb30666656 [1,1,0,0,0,0|1,0,0]=3 1849 B9R0.47 CNCCCC(N)C(=O)O Amb18644279 [1,1,0,0,0,0|1,0,1]=4 1850 B9R0.47 CNOCC[C@H](N)C(=O)O Amb27405026 [1,1,0,0,0,0|1,0,0]=3 1851 B9R0.47 COCCCC(N)C(=O)O Amb22058809 [1,1,0,0,0,0|1,0,1]=4 1852 B9R0.47 COCCCC(N)C(=O)O Amb33549526 [1,1,0,0,0,0|1,0,1]=4 1853 B9R0.47 COCCC[C@@H](N)C(=O)O Amb25081508 [1,1,0,0,0,0|1,0,1]=4 1854 B9R0.47 COCCC[C@H](N)C(=O)O Amb25378737 [1,1,0,0,0,0|1,0,1]=4 1855 B9R0.47 COCOCC(C)C(=O)O Amb27667113 [1,1,0,0,0,0|1,0,1]=4 1856 B9R0.47 CONCC[C@H](N)C(=O)O Amb27623933 [1,1,0,0,0,0|2,0,0]=4 1857 B9R0.47 CO\C=C\CC(O)C(=O)O Amb28050044 [1,1,0,0,0,0|2,0,0]=4 1858 B9R0.47 CSCCCC(N)C(=O)O Amb17594057 [1,1,0,0,0,0|1,0,1]=4 1859 B9R0.47 CSCCCC(N)C(=O)O Amb35789017 [1,1,0,0,0,0|1,0,1]=4 1860 B9R0.47 CSCCC[C@@H](N)C(=O)O Amb27233529 [1,1,0,0,0,0|1,0,1]=4 1861 B9R0.47 CSCCC[C@H](N)C(=O)O Amb27858783 [1,1,0,0,0,0|1,0,1]=4 1862 B9R0.47 CSCSC[C@H](N)C(=O)O Amb26874540 [1,1,0,0,0,0|0,1,1]=4 1863 B9R0.47 CSSCCC(N)C(=O)O Amb28456103 [1,1,0,0,0,0|1,1,0]=4 1864 B9R0.47 C\C=C\CCC(C)C(=O)O Amb27461427 [1,1,0,0,0,0|2,0,0]=4 1865 B9R0.47 C\C=C\CCC(N)C(=O)O Amb27770583 [1,1,0,0,0,0|1,0,0]=3 1866 B9R0.47 C\C=C\CN[C@@H](C)C(=O)O Amb27601181 [1,1,0,0,0,0|2,0,0]=4 1867 B9R0.47 C\C=C\CN[C@H](C)C(=O)O Amb27440981 [1,1,0,0,0,0|2,0,0]=4 1868 B9R0.47 C\C=C\CO[C@@H](C)C(=O)O Amb27426114 [1,1,0,0,0,0|2,0,0]=4 1869 B9R0.47 C\C=C\CO[C@H](C)C(=O)O Amb28384040 [1,1,0,0,0,0|2,0,0]=4 1870 B9R0.47 NC(CC#CCCl)C(=O)O Amb28123330 [1,1,0,0,0,0|1,0,1]=4 1871 B9R0.47 NC(CCCCF)C(=O)O Amb28193271 [1,1,0,0,0,0|1,0,1]=4 1872 B9R0.47 NC(CCCCO)C(=O)O Amb2699159 [1,1,0,0,0,0|1,0,1]=4 1873 B9R0.47 NC(CCSN=O)C(=O)O Amb26516416 [1,1,0,0,0,0|1,1,0]=4 1874 B9R0.47 NC(COCCCl)C(=O)O Amb18126477 [1,1,0,0,0,0|0,0,1]=3 1875 B9R0.47 NC(CSCCO)C(=O)O Amb6262852 [1,1,0,0,0,0|0,1,1]=4 1876 B9R0.47 NC(CSCCS)C(=O)O Amb27837996 [1,1,0,0,0,0|0,1,1]=4 1877 B9R0.47 NC(CS\C=C\Cl)C(=O)O Amb28325993 [1,1,0,0,0,0|0,1,1]=4 1878 B9R0.47 NC(C\C=C/CO)C(=O)O Amb28046143 [1,1,0,0,0,0|1,0,0]=3 1879 B9R0.47 NCC#CCC(N)C(=O)O Amb25369913 [1,1,0,0,0,0|1,0,1]=4 1880 B9R0.47 NCC#CCC(N)C(=O)O Amb28555546 [1,1,0,0,0,0|1,0,1]=4 1881 B9R0.47 NCC#CC[C@@H](N)C(=O)O Amb24118079 [1,1,0,0,0,0|1,0,1]=4 1882 B9R0.47 NCC#CC[C@H](N)C(=O)O Amb28134098 [1,1,0,0,0,0|1,0,1]=4 1883 B9R0.47 NCCCCC(N)C(=O)O Amb22349470 [1,1,0,0,0,0|1,0,1]=4 1884 B9R0.47 NCCCCC(N)C(=O)O Amb22489521 [1,1,0,0,0,0|1,0,1]=4 1885 B9R0.47 NCCCCC(N)C(=O)O Amb3940540 [1,1,0,0,0,0|1,0,1]=4 1886 B9R0.47 NCCCCC(N)C(=O)O Amb8516470 [1,1,0,0,0,0|1,0,1]=4 1887 B9R0.47 NCCCCC(N)C(=O)O Amb8516682 [1,1,0,0,0,0|1,0,1]=4 1888 B9R0.47 NCCCC[C@@H](N)C(=O)O Amb22750565 [1,1,0,0,0,0|1,0,1]=4 1889 B9R0.47 NCCCC[C@@H](N)C(=O)O Amb2720180 [1,1,0,0,0,0|1,0,1]=4 1890 B9R0.47 NCCCC[C@@H](N)C(=O)O Amb30621835 [1,1,0,0,0,0|1,0,1]=4 1891 B9R0.47 NCCCC[C@@H](N)C(=O)O Amb3940874 [1,1,0,0,0,0|1,0,1]=4 1892 B9R0.47 NCCCC[C@H](N)C(=O)O Amb2720055 [1,1,0,0,0,0|1,0,1]=4 1893 B9R0.47 NCCCC[C@H](N)C(=O)O Amb3940762 [1,1,0,0,0,0|1,0,1]=4 1894 B9R0.47 NCCCC[C@H](N)C(=O)O Amb8395455 [1,1,0,0,0,0|1,0,1]=4 1895 B9R0.47 NCCCC[C@H](N)C(=O)O Amb8513720 [1,1,0,0,0,0|1,0,1]=4 1896 B9R0.47 NCCCC[C@H](N)C(=O)O Amb8628529 [1,1,0,0,0,0|1,0,1]=4 1897 B9R0.47 NCCCC[C@H](N)C(=O)O Amb8628598 [1,1,0,0,0,0|1,0,1]=4 1898 B9R0.47 NCCOCC(N)C(=O)O Amb27224745 [1,1,0,0,0,0|0,0,1]=3 1899 B9R0.47 NCCOC[C@H](N)C(=O)O Amb26844671 [1,1,0,0,0,0|0,0,1]=3 1900 B9R0.47 NCCSC[C@@H](N)C(=O)O Amb27945627 [1,1,0,0,0,0|0,1,1]=4 1901 B9R0.47 NCCSC[C@H](N)C(=O)O Amb22362775 [1,1,0,0,0,0|0,1,1]=4 1902 B9R0.47 NCCSC[C@H](N)C(=O)O Amb25887551 [1,1,0,0,0,0|0,1,1]=4 1903 B9R0.47 NCSCCC(N)C(=O)O Amb27468506 [1,1,0,0,0,0|2,0,0]=4 1904 B9R0.47 NCSCC[C@H](N)C(=O)O Amb27425090 [1,1,0,0,0,0|2,0,0]=4 1905 B9R0.47 NC\C=C\CC(N)C(=O)O Amb22800680 [1,1,0,0,0,0|1,0,0]=3 1906 B9R0.47 N[C@@H](CCCC=O)C(=O)O Amb2695588 [1,1,0,0,0,0|1,0,0]=3 1907 B9R0.47 N[C@@H](CCCCBr)C(=O)O Amb28208462 [1,1,0,0,0,0|1,0,1]=4 1908 B9R0.47 N[C@@H](CCCCCl)C(=O)O Amb27267870 [1,1,0,0,0,0|1,0,1]=4 1909 B9R0.47 N[C@@H](CCCCF)C(=O)O Amb27945388 [1,1,0,0,0,0|1,0,1]=4 1910 B9R0.47 N[C@@H](CCCCO)C(=O)O Amb2695139 [1,1,0,0,0,0|1,0,1]=4 1911 B9R0.47 N[C@@H](CCCCS)C(=O)O Amb25729289 [1,1,0,0,0,0|1,0,1]=4 1912 B9R0.47 N[C@@H](CCSN=O)C(=O)O Amb24665147 [1,1,0,0,0,0|1,1,0]=4 1913 B9R0.47 N[C@@H](CNCCO)C(=O)O Amb25146307 [1,1,0,0,0,0|1,0,1]=4 1914 B9R0.47 N[C@@H](COCCCl)C(=O)O Amb28134274 [1,1,0,0,0,0|0,0,1]=3 1915 B9R0.47 N[C@@H](CSCCCl)C(=O)O Amb25887675 [1,1,0,0,0,0|0,1,1]=4 1916 B9R0.47 N[C@@H](CSCCF)C(=O)O Amb27837852 [1,1,0,0,0,0|0,1,1]=4 1917 B9R0.47 N[C@@H](CSCCO)C(=O)O Amb2695551 [1,1,0,0,0,0|0,1,1]=4 1918 B9R0.47 N[C@H](CC#CCO)C(=O)O Amb27391610 [1,1,0,0,0,0|1,0,1]=4 1919 B9R0.47 N[C@H](CCCC=O)C(=O)O Amb27272621 [1,1,0,0,0,0|1,0,0]=3 1920 B9R0.47 N[C@H](CCCCF)C(=O)O Amb26370180 [1,1,0,0,0,0|1,0,1]=4 1921 B9R0.47 N[C@H](CCCCO)C(=O)O Amb26969244 [1,1,0,0,0,0|1,0,1]=4 1922 B9R0.47 N[C@H](CSCCO)C(=O)O Amb8629048 [1,1,0,0,0,0|0,1,1]=4 1923 B9R0.51 C=CCCC(C)(N)C(=O)O Amb24524526 [1,1,0,0,0,0|1,0,1]=4 1924 B9R0.51 C=CCC[C@](C)(N)C(=O)O Amb24478852 [1,1,0,0,0,0|1,0,1]=4 1925 B9R0.51 CC(C)(CNC=O)C(=O)O Amb27592035 [1,1,0,0,0,0|2,0,0]=4 1926 B9R0.51 CCCCC(C)(N)C(=O)O Amb33743440 [1,1,0,0,0,0|1,0,1]=4 1927 B9R0.51 CCCCC(C)(N)C(=O)O Amb4134834 [1,1,0,0,0,0|1,0,1]=4 1928 B9R0.51 CCCC[C@@](C)(N)C(=O)O Amb26346904 [1,1,0,0,0,0|1,0,1]=4 1929 B9R0.51 CCCC[C@](C)(N)C(=O)O Amb25961122 [1,1,0,0,0,0|1,0,1]=4 1930 B9R0.51 CCOCC(C)(C)C(=O)O Amb27810825 [1,1,0,0,0,0|1,0,1]=4 1931 B9R0.51 CCOCC(C)(N)C(=O)O Amb27404396 [1,1,0,0,0,0|0,0,1]=3 1932 B9R0.51 CCOCC(C)(N)C(N)=O Amb27253744 [1,1,0,0,0,0|1,0,1]=4 1933 B9R0.51 CCOCC(C)(O)C(=O)O Amb27949919 [1,1,0,0,0,0|1,0,1]=4 1934 B9R0.51 CCOCC(F)(F)C(=O)O Amb33171237 [1,1,0,0,0,0|1,0,1]=4 1935 B9R0.51 CCSCC(C)(N)C(=O)O Amb18788224 [1,1,0,0,0,0|0,1,1]=4 1936 B9R0.51 COCC[C@](C)(N)C(=O)O Amb27425033 [1,1,0,0,0,0|2,0,0]=4 1937 B9R0.51 CSCC[C@@](C)(N)C(=O)O Amb24482190 [1,1,0,0,0,0|2,0,0]=4 1938 B9R0.51 C\C=C\CC(C)(C)C(=O)O Amb18643881 [1,1,0,0,0,0|2,0,0]=4 1939 B9R0.51 C\C=C\CC(C)(N)C(=O)O Amb27591750 [1,1,0,0,0,0|1,0,0]=3 1940 B9R0.51 C\C=C\CC(F)(Cl)C(=O)O Amb25780002 [1,1,0,0,0,0|2,0,0]=4 1941 B9R0.51 C\C=C\C[C@@](C)(F)C(=O)O Amb28050047 [1,1,0,0,0,0|2,0,0]=4 1942 B9R0.23 CC(=O)CC(C)C(C)C=O Amb28049891 [1,1,0,0,0,0|2,0,0]=4 1943 B9R0.23 CC(=O)OC(C)C(=O)C=O Amb27852090 [1,1,0,0,0,0|1,0,1]=4 1944 B9R0.23 CC(=O)O[C@@H](C)[C@H](O)C=O Amb27194323 [1,1,0,0,0,0|1,0,0]=3 1945 B9R0.24 C=CC(=O)OCC(N)CO Amb27162174 [1,1,0,0,0,0|0,0,2]=4 1946 B9R0.24 C=CC(N)CCC(=O)OC Amb18124639 [1,1,0,0,0,0|2,0,0]=4 1947 B9R0.24 C=C[C@@H](N)CCC(=O)OC Amb27247194 [1,1,0,0,0,0|2,0,0]=4 1948 B9R0.24 CCC(=O)CCC(C)C=O Amb27424839 [1,1,0,0,0,0|2,0,0]=4 1949 B9R0.24 CCC(=O)OCC(O)CO Amb24740407 [1,1,0,0,0,0|1,0,1]=4 1950 B9R0.24 COC(=O)CCC(C)C=O Amb18644121 [1,1,0,0,0,0|2,0,0]=4 1951 B9R0.24 COC(=O)CCC(Cl)C=O Amb27760397 [1,1,0,0,0,0|2,0,0]=4 1952 B9R0.24 COC(=O)NCC(N)CO Amb27598507 [1,1,0,0,0,0|1,0,1]=4 1953 B9R0.24 O=C(CBr)OC[C@@H](O)CO Amb27488630 [1,1,0,0,0,0|1,0,1]=4 1954 B9R0.24 O=C(CCl)OCC(O)CO Amb27599954 [1,1,0,0,0,0|1,0,1]=4 1955 B9R0.24 O=C(CF)OCC(O)CO Amb27879504 [1,1,0,0,0,0|1,0,1]=4 1956 B9R0.24 O=C(CS)OC[C@@H](O)CO Amb33872511 [1,1,0,0,0,0|1,0,1]=4 1957 B9R0.24 O=CC(O)CNC(=O)CBr Amb27841938 [1,1,0,0,0,0|2,0,0]=4 1958 B9R0.43 C=CC(C=O)CCC(C)=O Amb24619623 [1,1,0,0,0,0|2,0,0]=4 1959 B9R0.43 C=CC(CO)COC(C)=O Amb28400888 [1,1,0,0,0,0|1,0,1]=4 1960 B9R0.43 CC(=O)OCC(CO)CO Amb27839393 [1,1,0,0,0,0|1,0,1]=4 1961 B9R0.43 CC(=O)OC\C(C=O)=N\O Amb27438152 [1,1,0,0,0,0|0,0,2]=4 1962 B9R0.43 CCC(C=O)CCC(C)=O Amb18643911 [1,1,0,0,0,0|2,0,0]=4 1963 B9R0.43 CCC(C=O)COC(C)=O Amb28321979 [1,1,0,0,0,0|1,0,0]=3 1964 B9R0.43 CC[C@H](C=O)CCC(C)=O Amb24573990 [1,1,0,0,0,0|2,0,0]=4 1965 B9R0.43 COC(CO)COC(C)=O Amb27838147 [1,1,0,0,0,0|1,0,1]=4 1966 B9R0.43 CO[C@@H](CO)COC(C)=O Amb27874052 [1,1,0,0,0,0|1,0,1]=4 1967 B9R0.43 C\C=C(/C=O)COC(C)=O Amb25371691 [1,1,0,0,0,0|1,0,1]=4 1968 B9R0.48 CC(=O)CCC(C)CC=O Amb28199726 [1,1,0,0,0,0|2,0,0]=4 1969 B9R0.48 CC(=O)CC[C@H](C)CC=O Amb27255456 [1,1,0,0,0,0|2,0,0]=4 1970 B9R0.48 CC(=O)OCC(C)CC=O Amb18644137 [1,1,0,0,0,0|1,0,0]=3 1971 B9R0.48 CC(=O)OC[C@H](C)CCO Amb27753095 [1,1,0,0,0,0|1,0,1]=4 1972 B9R0.48 CC(=O)OC\C(C)=C\C=O Amb28385065 [1,1,0,0,0,0|1,0,1]=4 1973 B9R0.64 CC(=O)CCC(C)(C)C=O Amb18643910 [1,1,0,0,0,0|2,0,0]=4 1974 B9R0.1 C#CC(C)OCCC(=O)O Amb28041173 [1,1,0,0,0,0|1,0,1]=4 1975 B9R0.1 C#C\C(C)=C\CCC(=O)O Amb27461397 [1,1,0,0,0,0|2,0,0]=4 1976 B9R0.1 C=C(C)CCCC(=O)OC Amb25995990 [1,1,0,0,0,0|2,0,0]=4 1977 B9R0.1 C=C(C)CCOC(=O)CC Amb27770403 [1,1,0,0,0,0|2,0,0]=4 1978 B9R0.1 C=C(C)CCOC(=O)CO Amb27976305 [1,1,0,0,0,0|2,0,0]=4 1979 B9R0.1 C=C(C=O)CCCC(C)=O Amb8392635 [1,1,0,0,0,0|2,0,0]=4 1980 B9R0.1 C=C(C=O)CCOC(C)=O Amb18643822 [1,1,0,0,0,0|1,0,0]=3 1981 B9R0.1 C=C(CO)CCOC(C)=O Amb28322751 [1,1,0,0,0,0|1,0,0]=3 1982 B9R0.1 C=CC(=O)CCCC(=O)O Amb27770363 [1,1,0,0,0,0|1,0,1]=4 1983 B9R0.1 C=CC(=O)CCCC(C)=O Amb27409542 [1,1,0,0,0,0|2,0,0]=4 1984 B9R0.1 C=CC(=O)NCCC(=O)O Amb6257105 [1,1,0,0,0,0|1,0,1]=4 1985 B9R0.1 C=CC(=O)OCCC(=O)O Amb18644058 [1,1,0,0,0,0|0,0,1]=3 1986 B9R0.1 C=CC(C)OCCC(=O)O Amb27404617 [1,1,0,0,0,0|1,0,1]=4 1987 B9R0.1 CC(=O)CCCC(=O)NO Amb27980256 [1,1,0,0,0,0|1,0,0]=3 1988 B9R0.1 CC(=O)CCC\C(C)=N\O Amb28434847 [1,1,0,0,0,0|2,0,0]=4 1989 B9R0.1 CC(=O)CC\C=C(/C)C=O Amb18124577 [1,1,0,0,0,0|2,0,0]=4 1990 B9R0.1 CC(=O)CC\C=C(\C)C=O Amb27195922 [1,1,0,0,0,0|2,0,0]=4 1991 B9R0.1 CC(=O)NCNC(=O)CO Amb27243935 [1,1,0,0,0,0|2,0,0]=4 1992 B9R0.1 CC(=O)OCCC(C)C=O Amb28387659 [1,1,0,0,0,0|1,0,1]=4 1993 B9R0.1 CC(=O)OCCC(Cl)C=O Amb28050881 [1,1,0,0,0,0|1,0,1]=4 1994 B9R0.1 CC(=O)OCCC(O)CO Amb27171870 [1,1,0,0,0,0|0,0,2]=4 1995 B9R0.1 CC(=O)OCC[C@H](O)CO Amb27588999 [1,1,0,0,0,0|0,0,2]=4 1996 B9R0.1 CC(=O)OCC\C(C)=C/Cl Amb27659295 [1,1,0,0,0,0|2,0,0]=4 1997 B9R0.1 CC(=O)OC\C=C(/C)C=O Amb17593584 [1,1,0,0,0,0|1,0,1]=4 1998 B9R0.1 CC(=O)SCCC(=O)CCl Amb24436675 [1,1,0,0,0,0|1,1,0]=4 1999 B9R0.1 CC(C=O)CCCC(=O)O Amb27173621 [1,1,0,0,0,0|1,0,1]=4 2000 B9R0.1 CC(CN)OCCC(=O)O Amb18629690 [1,1,0,0,0,0|1,0,1]=4 2001 B9R0.1 CCC(=O)NCCC(=O)O Amb1120326 [1,1,0,0,0,0|1,0,0]=3 2002 B9R0.1 CCC(=O)NCCC(C)=O Amb17102869 [1,1,0,0,0,0|2,0,0]=4 2003 B9R0.1 CCC(=O)NCCC(N)=O Amb17231982 [1,1,0,0,0,0|2,0,0]=4 2004 B9R0.1 CCC(=O)OCCC(=O)O Amb26597385 [1,1,0,0,0,0|0,0,0]=2 2005 B9R0.1 CCC(=O)OCOC(=O)Cl Amb25212596 [1,1,0,0,0,0|2,0,0]=4 2006 B9R0.1 CCC(=O)SCCC(=O)O Amb27657281 [1,1,0,0,0,0|0,1,0]=3 2007 B9R0.1 CCC(C)OCCC(=O)O Amb27947378 [1,1,0,0,0,0|1,0,1]=4 2008 B9R0.1 CC\C(C)=C\CCC(=O)O Amb27474810 [1,1,0,0,0,0|2,0,0]=4 2009 B9R0.1 CN(CCCC(=O)O)N=O Amb17618588 [1,1,0,0,0,0|2,0,0]=4 2010 B9R0.1 CNC(=N)NCCC(=O)O Amb26014274 [1,1,0,0,0,0|2,0,0]=4 2011 B9R0.1 CNC(=O)CCCC(=O)[O-] Amb24271120 [1,1,0,0,0,0|1,0,1]=4 2012 B9R0.1 CNC(=O)CNCC(=O)O Amb8943036 [1,1,0,0,0,0|2,0,0]=4 2013 B9R0.1 CNC(=O)COCC(=O)O Amb17232024 [1,1,0,0,0,0|2,0,0]=4 2014 B9R0.1 CNC(=O)CSCC(=O)O Amb6251930 [1,1,0,0,0,0|2,0,0]=4 2015 B9R0.1 CNC(=O)NCCC(=O)O Amb1127025 [1,1,0,0,0,0|1,0,0]=3 2016 B9R0.1 CNC(=O)NOCC(=O)O Amb27970392 [1,1,0,0,0,0|2,0,0]=4 2017 B9R0.1 COC(=O)CCCC(=O)Cl Amb3939328 [1,1,0,0,0,0|2,0,0]=4 2018 B9R0.1 COC(=O)CCCC(=O)O Amb2720900 [1,1,0,0,0,0|1,0,0]=3 2019 B9R0.1 COC(=O)CCCC(=O)[O-] Amb33948529 [1,1,0,0,0,0|1,0,1]=4 2020 B9R0.1 COC(=O)CCCC(C)=O Amb17846860 [1,1,0,0,0,0|1,0,0]=3 2021 B9R0.1 COC(=O)CCCC(N)=O Amb27882411 [1,1,0,0,0,0|2,0,0]=4 2022 B9R0.1 COC(=O)CCCS(C)=O Amb18788307 [1,1,0,0,0,0|2,0,0]=4 2023 B9R0.1 COC(=O)CCNC(C)=O Amb15691935 [1,1,0,0,0,0|1,0,0]=3 2024 B9R0.1 COC(=O)CCNC(N)=O Amb22740124 [1,1,0,0,0,0|2,0,0]=4 2025 B9R0.1 COC(=O)CCOC(C)=O Amb27972208 [1,1,0,0,0,0|0,0,0]=2 2026 B9R0.1 COC(=O)CCOC(C)C Amb9206383 [1,1,0,0,0,0|1,0,1]=4 2027 B9R0.1 COC(=O)CCO[N+](=O)[O-] Amb27424870 [1,1,0,0,0,0|2,0,0]=4 2028 B9R0.1 COC(=O)CCSC(=O)Cl Amb26446360 [1,1,0,0,0,0|1,1,0]=4 2029 B9R0.1 COC(=O)CCSC(N)=O Amb28254662 [1,1,0,0,0,0|1,1,0]=4 2030 B9R0.1 COC(=O)CC\N=C(/C)N Amb27826068 [1,1,0,0,0,0|2,0,0]=4 2031 B9R0.1 COC(=O)CNCC(=O)O Amb7766422 [1,1,0,0,0,0|2,0,0]=4 2032 B9R0.1 COC(=O)COCC(=O)O Amb25305044 [1,1,0,0,0,0|2,0,0]=4 2033 B9R0.1 COC(=O)COCC(C)=O Amb8392403 [1,1,0,0,0,0|2,0,0]=4 2034 B9R0.1 COC(=O)CSCC(=O)O Amb33532171 [1,1,0,0,0,0|2,0,0]=4 2035 B9R0.1 COC(=O)CSCC(C)=O Amb2444691 [1,1,0,0,0,0|2,0,0]=4 2036 B9R0.1 COC(=O)C\C=C\C(C)=O Amb25205440 [1,1,0,0,0,0|1,0,1]=4 2037 B9R0.1 COC(=O)C\N=C\C(C)=O Amb28052024 [1,1,0,0,0,0|2,0,0]=4 2038 B9R0.1 COC(=O)NCCC(=O)O Amb6468177 [1,1,0,0,0,0|1,0,0]=3 2039 B9R0.1 COC(=O)OCCC(C)=O Amb28049880 [1,1,0,0,0,0|1,0,0]=3 2040 B9R0.1 COC(=S)SCCC(=O)O Amb27983821 [1,1,0,0,0,0|0,2,0]=4 2041 B9R0.1 COC(C)CCOC(C)=O Amb19958959 [1,1,0,0,0,0|1,0,1]=4 2042 B9R0.1 CSC(=N)NCCC(=O)O Amb28193743 [1,1,0,0,0,0|2,0,0]=4 2043 B9R0.1 C\C(CCCC(=O)O)=N/O Amb27779283 [1,1,0,0,0,0|1,0,1]=4 2044 B9R0.1 N=C(CN)NCCC(=O)O Amb28346899 [1,1,0,0,0,0|2,0,0]=4 2045 B9R0.1 NC(=O)CCNC(=O)CBr Amb27786158 [1,1,0,0,0,0|2,0,0]=4 2046 B9R0.1 NC(=O)CCNC(=O)CCl Amb9415901 [1,1,0,0,0,0|2,0,0]=4 2047 B9R0.1 NC(=O)CCNC(=O)CS Amb27981235 [1,1,0,0,0,0|2,0,0]=4 2048 B9R0.1 NC(=O)CCOC(=O)CO Amb28136694 [1,1,0,0,0,0|1,0,0]=3 2049 B9R0.1 NCC(=O)CCCC(=O)O Amb22035333 [1,1,0,0,0,0|1,0,0]=3 2050 B9R0.1 NCC(=O)CNCC(=O)O Amb27979091 [1,1,0,0,0,0|2,0,0]=4 2051 B9R0.1 NCC(=O)NCCC(=O)O Amb4018061 [1,1,0,0,0,0|1,0,0]=3 2052 B9R0.1 NCC(=O)ONCC(=O)O Amb27625948 [1,1,0,0,0,0|1,0,0]=3 2053 B9R0.1 O=C(O)CCCC(=O)CO Amb27493969 [1,1,0,0,0,0|1,0,0]=3 2054 B9R0.1 O=C(O)CCCC(=O)NO Amb27494720 [1,1,0,0,0,0|2,0,0]=4 2055 B9R0.1 O=C(O)CCNC(=O)CBr Amb17609911 [1,1,0,0,0,0|1,0,0]=3 2056 B9R0.1 O=C(O)CCNC(=O)CCl Amb2781692 [1,1,0,0,0,0|1,0,0]=3 2057 B9R0.1 O=C(O)CCNC(=O)CO Amb24478846 [1,1,0,0,0,0|1,0,0]=3 2058 B9R0.53 C=C(C)CC(N)CC(=O)O Amb32687894 [1,1,0,0,0,0|2,0,0]=4 2059 B9R0.53 CC(=O)CC(=O)OC(C)=O Amb28460740 [1,1,0,0,0,0|1,0,1]=4 2060 B9R0.53 CC(=O)CC(C)OC(N)=O Amb27196213 [1,1,0,0,0,0|2,0,0]=4 2061 B9R0.53 CC(=O)C[C@@H](C)CC(=O)O Amb27881969 [1,1,0,0,0,0|1,0,0]=3 2062 B9R0.53 CC(=O)C[C@H](C)OC(C)=O Amb25863249 [1,1,0,0,0,0|1,0,0]=3 2063 B9R0.53 CC(=O)NC(=O)CC(=O)O Amb24671240 [1,1,0,0,0,0|1,0,1]=4 2064 B9R0.53 CC(=O)NC(C)CC(=O)O Amb9007551 [1,1,0,0,0,0|1,0,0]=3 2065 B9R0.53 CC(=O)NC(C)CC(N)=O Amb27454423 [1,1,0,0,0,0|2,0,0]=4 2066 B9R0.53 CC(=O)NN(C)CC(=O)O Amb24430379 [1,1,0,0,0,0|2,0,0]=4 2067 B9R0.53 CC(=O)N[C@@H](C)CC(=O)O Amb2372568 [1,1,0,0,0,0|1,0,0]=3 2068 B9R0.53 CC(=O)OC(C)C[N+](=O)[O-] Amb28050522 [1,1,0,0,0,0|1,0,1]=4 2069 B9R0.53 CC(=O)OC(C)OC(C)=O Amb8516628 [1,1,0,0,0,0|2,0,0]=4 2070 B9R0.53 CC(=O)O[C@@H](C)CC(=O)O Amb28340506 [1,1,0,0,0,0|0,0,0]=2 2071 B9R0.53 CC(=O)SC(C)CC(=O)O Amb4014288 [1,1,0,0,0,0|0,1,0]=3 2072 B9R0.53 CC(CC(=O)O)CC(=O)O Amb2782854 [1,1,0,0,0,0|2,0,0]=4 2073 B9R0.53 CC(CC(=O)O)NC(N)=O Amb9018480 [1,1,0,0,0,0|2,0,0]=4 2074 B9R0.53 CS(=O)C[C@H](N)CC(=O)O Amb27776743 [1,1,0,0,0,0|2,0,0]=4 2075 B9R0.53 C[C@@H](CC(N)=O)CC(=O)O Amb27404517 [1,1,0,0,0,0|2,0,0]=4 2076 B9R0.53 NC(=O)CC(N)CC(=O)O Amb27837998 [1,1,0,0,0,0|2,0,0]=4 2077 B9R0.53 NC(=O)C[C@@H](N)CC(=O)O Amb26023970 [1,1,0,0,0,0|2,0,0]=4 2078 B9R0.53 NC(CC(=O)O)CC(=O)O Amb16184013 [1,1,0,0,0,0|2,0,0]=4 2079 B9R0.53 NC(CC(=O)O)CC(=O)O Amb6296966 [1,1,0,0,0,0|2,0,0]=4 2080 B9R0.53 O=C(O)CC(Br)CC(=O)O Amb28049987 [1,1,0,0,0,0|2,0,0]=4 2081 B9R0.53 O=C(O)CC(O)CC(=O)O Amb17615401 [1,1,0,0,0,0|2,0,0]=4 2082 B9R0.56 CC(=O)NCCS(=O)(=O)O Amb26916542 [1,1,0,0,0,0|2,0,0]=4 2083 B9R0.56 CC(=O)OCCC(C)(C)O Amb28454807 [1,1,0,0,0,0|1,0,1]=4 2084 B9R0.56 CC(=O)OCCS(=O)(=O)Cl Amb18062586 [1,1,0,0,0,0|1,0,1]=4 2085 B9R0.56 CC(=O)OCCS(=O)(=O)F Amb32718400 [1,1,0,0,0,0|1,0,1]=4 2086 B9R0.56 CC(=O)OCCS(C)(=O)=O Amb28289177 [1,1,0,0,0,0|1,0,1]=4 2087 B9R0.56 CC(=O)SCCS(=O)(=O)O Amb21857874 [1,1,0,0,0,0|1,1,0]=4 2088 B9R0.56 CC(C)(C)OCCC(=O)O Amb2691288 [1,1,0,0,0,0|1,0,1]=4 2089 B9R0.56 CP(=O)(O)CCCC(=O)O Amb24524573 [1,1,0,0,0,0|2,0,0]=4 2090 B9R0.56 CS(=O)(=O)CCCC(=O)O Amb17503668 [1,1,0,0,0,0|2,0,0]=4 2091 B9R0.56 CS(=O)(=O)NCCC(=O)O Amb33536611 [1,1,0,0,0,0|2,0,0]=4 2092 B9R0.56 CS(=O)(=O)SCCC(=O)O Amb10071647 [1,1,0,0,0,0|1,1,0]=4 2093 B9R0.10 CP(=O)(O)C(N)CC(=O)O Amb27831332 [0,1,0,0,1,0|2,0,0]=4 2094 B9R0.10 CP(=O)(O)C(N)CC(N)=O Amb27615069 [0,1,0,0,1,0|2,0,0]=4 2095 B9R0.11 C=C(C)CC(C)(C)C(=O)O Amb27619182 [0,1,0,0,1,0|2,0,0]=4 2096 B9R0.11 C=C(C)CC(C)(N)C(=O)O Amb27838051 [0,1,0,0,1,0|1,0,0]=3 2097 B9R0.11 C=C(C)CC(C)(O)C(=O)O Amb24763776 [0,1,0,0,1,0|2,0,0]=4 2098 B9R0.11 C=C(C)CC(F)(F)C(=O)O Amb26356276 [0,1,0,0,1,0|2,0,0]=4 2099 B9R0.11 C=C(C)C[C@](C)(O)C(=O)O Amb27618953 [0,1,0,0,1,0|2,0,0]=4 2100 B9R0.11 C=C(F)C[C@](C)(N)C(=O)O Amb27440834 [0,1,0,0,1,0|1,0,1]=4 2101 B9R0.11 CC(=O)CC(C)(C)C(=O)O Amb18644092 [0,1,0,0,1,0|1,0,0]=3 2102 B9R0.11 CC(=O)CC(C)(C)C(=O)S Amb28201149 [0,1,0,0,1,0|1,1,0]=4 2103 B9R0.11 CC(=O)CC(C)(S)C(=O)O Amb27984551 [0,1,0,0,1,0|1,0,0]=3 2104 B9R0.11 CC(=O)C[C@](C)(O)C(=O)O Amb27170683 [0,1,0,0,1,0|1,0,0]=3 2105 B9R0.11 CC(=O)NC(C)(C)C(=O)O Amb13952726 [0,1,0,0,1,0|2,0,0]=4 2106 B9R0.11 CC(=O)NC(C)(N)C(=O)O Amb27881127 [0,1,0,0,1,0|1,0,0]=3 2107 B9R0.11 CC(=O)OC(C)(C)C(=O)Br Amb8384982 [0,1,0,0,1,0|2,0,0]=4 2108 B9R0.11 CC(=O)OC(C)(C)C(=O)Cl Amb3939171 [0,1,0,0,1,0|2,0,0]=4 2109 B9R0.11 CC(=O)OC(C)(C)C(=O)O Amb18644243 [0,1,0,0,1,0|1,0,0]=3 2110 B9R0.11 CC(=O)OC(C)(C)C(C)=O Amb8394371 [0,1,0,0,1,0|2,0,0]=4 2111 B9R0.11 CC(=O)SC(C)(C)C(=O)O Amb17607677 [0,1,0,0,1,0|1,1,0]=4 2112 B9R0.11 CC(=O)SC(F)(F)C(=O)O Amb27252817 [0,1,0,0,1,0|1,1,0]=4 2113 B9R0.11 CC(C)(CC(=O)O)C(=O)O Amb9787793 [0,1,0,0,1,0|2,0,0]=4 2114 B9R0.11 CC(C)CC(C)(N)C(=O)O Amb4134832 [0,1,0,0,1,0|1,0,1]=4 2115 B9R0.11 CC(C)C[C@@](C)(N)C(=O)O Amb8630501 [0,1,0,0,1,0|1,0,1]=4 2116 B9R0.11 CC(C)C[C@](C)(N)C(=O)O Amb10066904 [0,1,0,0,1,0|1,0,1]=4 2117 B9R0.11 CC(Cl)(CC(=O)O)C(=O)O Amb18126463 [0,1,0,0,1,0|2,0,0]=4 2118 B9R0.11 CC(N)(CC(=O)O)C(=O)O Amb10807406 [0,1,0,0,1,0|1,0,0]=3 2119 B9R0.11 CC(N)(CC(=O)O)[PH](=O)O Amb25701546 [0,1,0,0,1,0|2,0,0]=4 2120 B9R0.11 CC(N)(CC(N)=O)C(=O)O Amb28131361 [0,1,0,0,1,0|1,0,0]=3 2121 B9R0.11 CC(O)(CC(=O)O)C(=O)O Amb6366309 [0,1,0,0,1,0|2,0,0]=4 2122 B9R0.11 CC(O)CC(C)(N)C(=O)O Amb28289237 [0,1,0,0,1,0|0,0,2]=4 2123 B9R0.11 CN(C)CC(C)(N)C(=O)O Amb18294465 [0,1,0,0,1,0|2,0,0]=4 2124 B9R0.11 CS(=O)CC(C)(C)C(=O)O Amb28049647 [0,1,0,0,1,0|2,0,0]=4 2125 B9R0.11 CS(=O)CC(C)(O)C(=O)O Amb27984742 [0,1,0,0,1,0|2,0,0]=4 2126 B9R0.11 CS(=O)CC(F)(F)C(=O)O Amb33169820 [0,1,0,0,1,0|2,0,0]=4 2127 B9R0.11 C[C@@](N)(CC(N)=O)C(=O)O Amb22225025 [0,1,0,0,1,0|1,0,0]=3 2128 B9R0.11 C[C@](N)(CC(=O)O)C(=O)O Amb10601663 [0,1,0,0,1,0|1,0,0]=3 2129 B9R0.11 C[C@](N)(CC(N)=O)C(=O)O Amb27195940 [0,1,0,0,1,0|1,0,0]=3 2130 B9R0.11 C[C@](O)(CC(=O)O)C(=O)O Amb26398856 [0,1,0,0,1,0|2,0,0]=4 2131 B9R0.11 NC(=O)CC(N)(O)C(=O)O Amb27794741 [0,1,0,0,1,0|1,0,0]=3 2132 B9R0.11 NC(=O)C[C@@](N)(O)C(=O)O Amb28348701 [0,1,0,0,1,0|1,0,0]=3 2133 B9R0.11 O=C(O)CC(Cl)(Cl)C(=O)O Amb27971430 [0,1,0,0,1,0|2,0,0]=4 2134 B9R0.11 O=C(O)CC(F)(F)C(=O)O Amb2732193 [0,1,0,0,1,0|2,0,0]=4 2135 B9R0.39 C#CC(NC(C)=O)C(=O)O Amb27411184 [0,1,0,0,1,0|2,0,0]=4 2136 B9R0.39 C#C[C@@H](NC(C)=O)C(=O)O Amb27393972 [0,1,0,0,1,0|2,0,0]=4 2137 B9R0.39 C=C(C)CC(C#N)C(=O)O Amb35741470 [0,1,0,0,1,0|1,0,1]=4 2138 B9R0.39 C=C(C)CC(OC)C(=O)O Amb26386702 [0,1,0,0,1,0|2,0,0]=4 2139 B9R0.39 C=C(C)C[C@@H](CC)C(=O)O Amb27785162 [0,1,0,0,1,0|2,0,0]=4 2140 B9R0.39 C=C[C@@H](NC(C)=O)C(=O)O Amb28050121 [0,1,0,0,1,0|2,0,0]=4 2141 B9R0.39 CC(=O)CC(C=O)C(=O)O Amb28048038 [0,1,0,0,1,0|1,0,0]=3 2142 B9R0.39 CC(=O)NC(CCl)C(=O)O Amb27494110 [0,1,0,0,1,0|2,0,0]=4 2143 B9R0.39 CC(=O)NC(CN)C(=O)O Amb28128874 [0,1,0,0,1,0|1,0,0]=3 2144 B9R0.39 CC(=O)NC(CO)C(=O)O Amb1115493 [0,1,0,0,1,0|2,0,0]=4 2145 B9R0.39 CC(=O)NC(CS)C(=O)O Amb1112748 [0,1,0,0,1,0|2,0,0]=4 2146 B9R0.39 CC(=O)N[C@@H](CO)C(=O)O Amb22746917 [0,1,0,0,1,0|2,0,0]=4 2147 B9R0.39 CC(=O)N[C@@H](CS)C(=O)O Amb2684240 [0,1,0,0,1,0|2,0,0]=4 2148 B9R0.39 CC(=O)N[C@H](CCl)C(=O)O Amb27171775 [0,1,0,0,1,0|2,0,0]=4 2149 B9R0.39 CC(=O)N[C@H](CS)C(=O)O Amb25887589 [0,1,0,0,1,0|2,0,0]=4 2150 B9R0.39 CC(=O)OC(C=O)C(C)=O Amb27798281 [0,1,0,0,1,0|2,0,0]=4 2151 B9R0.39 CC(=O)OC(CCl)C(=O)O Amb27796012 [0,1,0,0,1,0|1,0,0]=3 2152 B9R0.39 CC(=O)O[C@@H](CN)C(=O)O Amb27874054 [0,1,0,0,1,0|0,0,0]=2 2153 B9R0.39 CC(C)CC(CN)C(=O)O Amb19021764 [0,1,0,0,1,0|1,0,1]=4 2154 B9R0.39 CC(C)CC(CN)C(=O)O Amb28555451 [0,1,0,0,1,0|1,0,1]=4 2155 B9R0.39 CC(C)CC(NCl)C(=O)O Amb27401848 [0,1,0,0,1,0|1,0,1]=4 2156 B9R0.39 CC(C)CC(ON)C(=O)O Amb18644321 [0,1,0,0,1,0|1,0,1]=4 2157 B9R0.39 CC(C)CC(ON)C(=O)O Amb33484371 [0,1,0,0,1,0|1,0,1]=4 2158 B9R0.39 CC(C)C[C@@H](CN)C(=O)O Amb22756732 [0,1,0,0,1,0|1,0,1]=4 2159 B9R0.39 CC(C)C[C@@H](CN)C(=O)O Amb22756740 [0,1,0,0,1,0|1,0,1]=4 2160 B9R0.39 CC(C)C[C@@H](NN)C(=O)O Amb27424998 [0,1,0,0,1,0|1,0,1]=4 2161 B9R0.39 CC(C)C[C@@H](ON)C(=O)O Amb27975779 [0,1,0,0,1,0|1,0,1]=4 2162 B9R0.39 CC(C)C[C@H](CN)C(=O)O Amb26390781 [0,1,0,0,1,0|1,0,1]=4 2163 B9R0.39 CC(C)C[C@H](CN)C(=O)O Amb32620226 [0,1,0,0,1,0|1,0,1]=4 2164 B9R0.39 CC(C)C[C@H](NN)C(=O)O Amb27488207 [0,1,0,0,1,0|1,0,1]=4 2165 B9R0.39 CC(Cl)CC(CN)C(=O)O Amb28396430 [0,1,0,0,1,0|1,0,1]=4 2166 B9R0.39 CCC(CC(=O)O)C(=O)O Amb10071696 [0,1,0,0,1,0|2,0,0]=4 2167 B9R0.39 CCC(CC(C)=O)C(=O)O Amb18644109 [0,1,0,0,1,0|1,0,0]=3 2168 B9R0.39 CCC(CC(C)=O)C(C)=O Amb27403023 [0,1,0,0,1,0|2,0,0]=4 2169 B9R0.39 CCC(NC(C)=O)C(=O)O Amb2099651 [0,1,0,0,1,0|2,0,0]=4 2170 B9R0.39 CCC(OC(C)=O)C(=O)Cl Amb28059233 [0,1,0,0,1,0|2,0,0]=4 2171 B9R0.39 CCC(OC(C)=O)C(N)=O Amb25274332 [0,1,0,0,1,0|2,0,0]=4 2172 B9R0.39 CCC(OC(N)=O)C(=O)O Amb28283574 [0,1,0,0,1,0|2,0,0]=4 2173 B9R0.39 CC[C@@H](CC(=O)O)C(=O)O Amb27830576 [0,1,0,0,1,0|2,0,0]=4 2174 B9R0.39 CC[C@@H](NC(C)=O)C(=O)O Amb3941467 [0,1,0,0,1,0|2,0,0]=4 2175 B9R0.39 CC[C@H](CC(=O)O)C(=O)O Amb24643194 [0,1,0,0,1,0|2,0,0]=4 2176 B9R0.39 CC[C@H](NC(C)=O)C(=O)O Amb3990111 [0,1,0,0,1,0|2,0,0]=4 2177 B9R0.39 CC[C@H](OC(C)=O)C(=O)O Amb27948340 [0,1,0,0,1,0|1,0,0]=3 2178 B9R0.39 CNC(CC(=O)O)C(=O)O Amb1905634 [0,1,0,0,1,0|1,0,0]=3 2179 B9R0.39 CNC(CC(=O)O)C(=O)O Amb30867747 [0,1,0,0,1,0|1,0,0]=3 2180 B9R0.39 CNC(CC(=O)O)C(C)=O Amb18611382 [0,1,0,0,1,0|2,0,0]=4 2181 B9R0.39 CNC(CC(C)C)C(=O)O Amb22274694 [0,1,0,0,1,0|1,0,1]=4 2182 B9R0.39 CNC(CC(C)C)C(=O)O Amb9283589 [0,1,0,0,1,0|1,0,1]=4 2183 B9R0.39 CNC(CC(N)=O)C(=O)O Amb18644255 [0,1,0,0,1,0|1,0,0]=3 2184 B9R0.39 CNC(CN(C)C)C(=O)O Amb28388875 [0,1,0,0,1,0|2,0,0]=4 2185 B9R0.39 CN[C@@H](CC(=O)O)C(=O)O Amb3499450 [0,1,0,0,1,0|1,0,0]=3 2186 B9R0.39 CN[C@@H](CC(C)C)C(=O)O Amb16183858 [0,1,0,0,1,0|1,0,1]=4 2187 B9R0.39 CN[C@@H](CC(C)C)C(=O)O Amb2779901 [0,1,0,0,1,0|1,0,1]=4 2188 B9R0.39 CN[C@H](CC(=O)O)C(=O)O Amb8515692 [0,1,0,0,1,0|1,0,0]=3 2189 B9R0.39 CN[C@H](CC(C)C)C(=O)O Amb10842218 [0,1,0,0,1,0|1,0,1]=4 2190 B9R0.39 CN[C@H](CC(C)C)C(=O)O Amb22745995 [0,1,0,0,1,0|1,0,1]=4 2191 B9R0.39 CN[C@H](CC(N)=O)C(=O)O Amb28049962 [0,1,0,0,1,0|1,0,0]=3 2192 B9R0.39 CO[C@H](CC(=O)O)C(=O)O Amb27849552 [0,1,0,0,1,0|2,0,0]=4 2193 B9R0.39 CSC(CC(=O)O)C(=O)O Amb18646024 [0,1,0,0,1,0|2,0,0]=4 2194 B9R0.39 C\C(Cl)=C/C(ON)C(=O)O Amb27252200 [0,1,0,0,1,0|1,0,1]=4 2195 B9R0.39 C\C=C(/OC(C)=O)C(=O)O Amb27759731 [0,1,0,0,1,0|1,0,1]=4 2196 B9R0.39 N=CC(CC(=O)O)C(=O)O Amb27653604 [0,1,0,0,1,0|1,0,1]=4 2197 B9R0.39 NC(=O)CC(CO)C(=O)O Amb28411495 [0,1,0,0,1,0|2,0,0]=4 2198 B9R0.39 NC(=O)CC(NO)C(=O)O Amb27168203 [0,1,0,0,1,0|1,0,0]=3 2199 B9R0.39 NC(=O)C[C@H](NO)C(=O)O Amb28364297 [0,1,0,0,1,0|1,0,0]=3 2200 B9R0.39 NCC(CC(=O)O)C(=O)O Amb22546423 [0,1,0,0,1,0|1,0,0]=3 2201 B9R0.39 NCC(CC(=O)O)C(=O)O Amb24538047 [0,1,0,0,1,0|1,0,0]=3 2202 B9R0.39 NNC(CC(=O)O)C(=O)O Amb28070991 [0,1,0,0,1,0|1,0,0]=3 2203 B9R0.39 NN[C@@H](CC(=O)O)C(=O)O Amb24117193 [0,1,0,0,1,0|1,0,0]=3 2204 B9R0.39 N\C=C(\CC(=O)O)C(=O)O Amb28050321 [0,1,0,0,1,0|1,0,1]=4 2205 B9R0.39 O=C(O)CC(CBr)C(=O)O Amb22752144 [0,1,0,0,1,0|2,0,0]=4 2206 B9R0.39 O=C(O)CC(CF)C(=O)O Amb33379249 [0,1,0,0,1,0|2,0,0]=4 2207 B9R0.39 O=C(O)CC(NCl)C(=O)O Amb27953217 [0,1,0,0,1,0|1,0,0]=3 2208 B9R0.39 O=C(O)CC(NO)C(=O)O Amb24685872 [0,1,0,0,1,0|1,0,0]=3 2209 B9R0.39 O=C(O)CC(NS)C(=O)O Amb25808901 [0,1,0,0,1,0|1,0,0]=3 2210 B9R0.39 O=C(O)C[C@H](NCl)C(=O)O Amb27401859 [0,1,0,0,1,0|1,0,0]=3 2211 B9R0.39 O=C(O)C[C@H](NO)C(=O)O Amb24117497 [0,1,0,0,1,0|1,0,0]=3 2212 B9R0.39 O=C(O)C[C@H](NO)C(=O)O Amb24630025 [0,1,0,0,1,0|1,0,0]=3 2213 B9R0.57 CC(C)(C)CC(N)C(=O)O Amb7172575 [0,1,0,0,1,0|1,0,1]=4 2214 B9R0.57 CC(C)(C)CC(N)C(=O)O Amb8385710 [0,1,0,0,1,0|1,0,1]=4 2215 B9R0.57 CC(C)(C)C[C@@H](N)C(=O)O Amb16184025 [0,1,0,0,1,0|1,0,1]=4 2216 B9R0.57 CC(C)(C)C[C@H](N)C(=O)O Amb6295897 [0,1,0,0,1,0|1,0,1]=4 2217 B9R0.57 CC(C)(Cl)CC(N)C(=O)O Amb28555620 [0,1,0,0,1,0|1,0,1]=4 2218 B9R0.57 CC(C)(F)CC(N)C(=O)O Amb26496047 [0,1,0,0,1,0|1,0,1]=4 2219 B9R0.57 CC(C)(F)C[C@@H](N)C(=O)O Amb24055873 [0,1,0,0,1,0|1,0,1]=4 2220 B9R0.57 CC(C)(F)C[C@H](N)C(=O)O Amb26959500 [0,1,0,0,1,0|1,0,1]=4 2221 B9R0.57 CC(C)(O)CC(N)C(=O)O Amb18644326 [0,1,0,0,1,0|0,0,2]=4 2222 B9R0.57 CC(C)(O)C[C@@H](N)C(=O)O Amb24479570 [0,1,0,0,1,0|0,0,2]=4 2223 B9R0.57 CC(C)(O)C[C@H](N)C(=O)O Amb25992355 [0,1,0,0,1,0|0,0,2]=4 2224 B9R0.57 CC(C)(S)CC(N)C(=O)O Amb27984144 [0,1,0,0,1,0|0,1,1]=4 2225 B9R0.57 CC(CP(C)(C)=O)C(=O)O Amb28050894 [0,1,0,0,1,0|2,0,0]=4 2226 B9R0.57 CC(CS(C)(=O)=O)C(=O)O Amb18971622 [0,1,0,0,1,0|2,0,0]=4 2227 B9R0.57 CC(F)(F)CC(N)C(=O)O Amb26866987 [0,1,0,0,1,0|1,0,1]=4 2228 B9R0.57 CC(F)(F)CC(N)C(=O)O Amb33483896 [0,1,0,0,1,0|1,0,1]=4 2229 B9R0.57 CC(F)(F)C[C@@H](N)C(=O)O Amb33309023 [0,1,0,0,1,0|1,0,1]=4 2230 B9R0.57 CC(F)(F)C[C@H](N)C(=O)O Amb26573683 [0,1,0,0,1,0|1,0,1]=4 2231 B9R0.57 CP(=O)(O)CC(N)C(=O)O Amb27770381 [0,1,0,0,1,0|1,0,0]=3 2232 B9R0.57 CS(=O)(=O)CC(Cl)C(=O)O Amb27257814 [0,1,0,0,1,0|2,0,0]=4 2233 B9R0.57 CS(=O)(=O)CC(N)C(=O)O Amb27983621 [0,1,0,0,1,0|1,0,0]=3 2234 B9R0.57 CS(=O)(=O)CC(N)C(=O)O Amb32753509 [0,1,0,0,1,0|1,0,0]=3 2235 B9R0.57 CS(=O)(=O)CC(N)C(N)=O Amb27961405 [0,1,0,0,1,0|2,0,0]=4 2236 B9R0.57 CS(=O)(=O)CC(O)C(=O)O Amb24398186 [0,1,0,0,1,0|2,0,0]=4 2237 B9R0.57 CS(=O)(=O)C[C@@H](N)C(=O)O Amb27831327 [0,1,0,0,1,0|1,0,0]=3 2238 B9R0.57 CS(=O)(=O)C[C@H](N)C(=O)O Amb27231797 [0,1,0,0,1,0|1,0,0]=3 2239 B9R0.57 CS(=O)(=O)C[C@H](N)C(=O)O Amb32683294 [0,1,0,0,1,0|1,0,0]=3 2240 B9R0.57 C[C@H](OS(C)(=O)=O)C(=O)O Amb25701707 [0,1,0,0,1,0|2,0,0]=4 2241 B9R0.57 C[Si](C)(C)CC(N)C(=O)O Amb26361043 [0,1,0,0,1,0|1,1,0]=4 2242 B9R0.57 C[Si](C)(C)C[C@@H](N)C(=O)O Amb27658975 [0,1,0,0,1,0|1,1,0]=4 2243 B9R0.57 C[Si](C)(C)C[C@H](N)C(=O)O Amb24482244 [0,1,0,0,1,0|1,1,0]=4 2244 B9R0.57 C[Si](C)(O)C[C@H](N)C(=O)O Amb27408998 [0,1,0,0,1,0|0,1,1]=4 2245 B9R0.57 NC(CP(=O)(O)O)C(=O)O Amb542762 [0,1,0,0,1,0|2,0,0]=4 2246 B9R0.57 NC(CS(=O)(=O)Cl)C(=O)O Amb28367339 [0,1,0,0,1,0|2,0,0]=4 2247 B9R0.57 NC(CS(=O)(=O)O)C(=O)O Amb2698240 [0,1,0,0,1,0|2,0,0]=4 2248 B9R0.57 NC(CS(=O)(=O)S)C(=O)O Amb27982339 [0,1,0,0,1,0|2,0,0]=4 2249 B9R0.57 N[C@@H](CP(=O)(O)O)C(=O)O Amb2719731 [0,1,0,0,1,0|2,0,0]=4 2250 B9R0.57 N[C@@H](CS(=O)(=O)O)C(=O)O Amb17942867 [0,1,0,0,1,0|2,0,0]=4 2251 B9R0.57 N[C@@H](CS(=O)(=O)O)C(=O)O Amb3940873 [0,1,0,0,1,0|2,0,0]=4 2252 B9R0.57 N[C@@H](CS(N)(=O)=O)C(=O)O Amb26342340 [0,1,0,0,1,0|2,0,0]=4 2253 B9R0.57 N[C@H](CP(=O)(O)O)C(=O)O Amb8515685 [0,1,0,0,1,0|2,0,0]=4 2254 B9R0.79 C=C(C)C(C)C(C)C(=O)O Amb28042819 [0,1,0,0,1,0|2,0,0]=4 2255 B9R0.79 C=C(C)C(N)C(C)C(=O)O Amb33036349 [0,1,0,0,1,0|2,0,0]=4 2256 B9R0.79 C=C(C)C(O)C(C)C(=O)O Amb18644101 [0,1,0,0,1,0|2,0,0]=4 2257 B9R0.79 C=C(C)C(O)C(N)C(=O)O Amb33199606 [0,1,0,0,1,0|1,0,0]=3 2258 B9R0.79 C=C(C)[C@@H](C)[C@@H](C)C(=O)O Amb28050111 [0,1,0,0,1,0|2,0,0]=4 2259 B9R0.79 C=C(C)[C@@H](O)[C@@H](C)C(=O)O Amb28283987 [0,1,0,0,1,0|2,0,0]=4 2260 B9R0.79 CC(=O)C(C)C(C)C(C)=O Amb4016940 [0,1,0,0,1,0|2,0,0]=4 2261 B9R0.79 CC(=O)C(C)C(N)C(=O)O Amb18202116 [0,1,0,0,1,0|0,0,0]=2 2262 B9R0.79 CC(=O)C(C)C(N)C(N)=O Amb27613013 [0,1,0,0,1,0|1,0,0]=3 2263 B9R0.79 CC(=O)C(Cl)C(=O)C(=O)O Amb27600115 [0,1,0,0,1,0|1,0,1]=4 2264 B9R0.79 CC(=O)C(O)C(O)C(=O)O Amb25292189 [0,1,0,0,1,0|1,0,0]=3 2265 B9R0.79 CC(=O)C(O)C(O)C(C)=O Amb17593650 [0,1,0,0,1,0|2,0,0]=4 2266 B9R0.79 CC(=O)N(Cl)[C@@H](C)C(=O)O Amb28458454 [0,1,0,0,1,0|2,0,0]=4 2267 B9R0.79 CC(=O)[C@@H](C)[C@@H](O)C(=O)O Amb27661780 [0,1,0,0,1,0|1,0,0]=3 2268 B9R0.79 CC(=O)[C@@H](C)[C@H](O)C(=O)O Amb28050113 [0,1,0,0,1,0|1,0,0]=3 2269 B9R0.79 CC(=O)[C@H](C)[C@@H](C)C(C)=O Amb28202186 [0,1,0,0,1,0|2,0,0]=4 2270 B9R0.79 CC(=O)[C@H](C)[C@H](N)C(=O)O Amb27424983 [0,1,0,0,1,0|0,0,0]=2 2271 B9R0.79 CC(=S)[C@H](C)[C@H](N)C(=O)O Amb26642807 [0,1,0,0,1,0|0,1,0]=3 2272 B9R0.79 CC(C(=O)O)C(Br)C(=O)O Amb2612973 [0,1,0,0,1,0|2,0,0]=4 2273 B9R0.79 CC(C(=O)O)C(C)C(=O)O Amb8513150 [0,1,0,0,1,0|2,0,0]=4 2274 B9R0.79 CC(C(=O)O)C(N)C(=O)O Amb2099482 [0,1,0,0,1,0|1,0,0]=3 2275 B9R0.79 CC(C(=O)O)C(O)C(=O)O Amb17593680 [0,1,0,0,1,0|2,0,0]=4 2276 B9R0.79 CC(C(N)C(=O)O)N(C)C Amb30020664 [0,1,0,0,1,0|2,0,0]=4 2277 B9R0.79 CC(C)=C(C)C(N)C(=O)O Amb33330058 [0,1,0,0,1,0|1,0,1]=4 2278 B9R0.79 CC(C)=C(C)C(N)C(=O)O Amb33484307 [0,1,0,0,1,0|1,0,1]=4 2279 B9R0.79 CC(C)C(C)C(N)C(=O)O Amb26965499 [0,1,0,0,1,0|1,0,1]=4 2280 B9R0.79 CC(C)C(C)[C@@H](N)C(=O)O Amb28119442 [0,1,0,0,1,0|1,0,1]=4 2281 B9R0.79 CC(C)C(C)[C@H](N)C(=O)O Amb27951299 [0,1,0,0,1,0|1,0,1]=4 2282 B9R0.79 CC(C)C(F)C(N)C(=O)O Amb28071157 [0,1,0,0,1,0|1,0,1]=4 2283 B9R0.79 CC(C)C(F)[C@@H](N)C(=O)O Amb27248487 [0,1,0,0,1,0|1,0,1]=4 2284 B9R0.79 CC(C)C(F)[C@H](N)C(=O)O Amb25863595 [0,1,0,0,1,0|1,0,1]=4 2285 B9R0.79 CC(C)C(F)[C@H](N)C(=O)O Amb33328671 [0,1,0,0,1,0|1,0,1]=4 2286 B9R0.79 CC(C)C(O)C(N)C(=O)O Amb23399656 [0,1,0,0,1,0|1,0,1]=4 2287 B9R0.79 CC(C)C(O)[C@H](N)C(=O)O Amb24509492 [0,1,0,0,1,0|1,0,1]=4 2288 B9R0.79 CC(C)C(S)C(N)C(=O)O Amb28076641 [0,1,0,0,1,0|1,0,1]=4 2289 B9R0.79 CC(C)[C@@H](Cl)[C@@H](N)C(=O)O Amb27409092 [0,1,0,0,1,0|1,0,1]=4 2290 B9R0.79 CC(C)[C@H](Cl)[C@@H](N)C(=O)O Amb27796326 [0,1,0,0,1,0|1,0,1]=4 2291 B9R0.79 CC(C)[C@H](O)[C@@H](N)C(=O)O Amb10807407 [0,1,0,0,1,0|1,0,1]=4 2292 B9R0.79 CC(C)[C@H](O)[C@H](N)C(=O)O Amb26333625 [0,1,0,0,1,0|1,0,1]=4 2293 B9R0.79 CC(Cl)C(C)C(N)C(=O)O Amb27838066 [0,1,0,0,1,0|1,0,1]=4 2294 B9R0.79 CC(F)C(C)C(N)C(=O)O Amb28041913 [0,1,0,0,1,0|1,0,1]=4 2295 B9R0.79 CC(O)C(C)C(N)C(=O)O Amb21953714 [0,1,0,0,1,0|0,0,2]=4 2296 B9R0.79 CC(O)C(C)[C@@H](N)C(=O)O Amb22800202 [0,1,0,0,1,0|0,0,2]=4 2297 B9R0.79 CC(O)C(C)[C@H](N)C(=O)O Amb27390194 [0,1,0,0,1,0|0,0,2]=4 2298 B9R0.79 CC(O)C(O)C(N)C(=O)O Amb27210841 [0,1,0,0,1,0|0,0,2]=4 2299 B9R0.79 CC(O)[C@@H](C)[C@@H](N)C(=O)O Amb33524291 [0,1,0,0,1,0|0,0,2]=4 2300 B9R0.79 CC(S)C(C)C(N)C(=O)O Amb27241739 [0,1,0,0,1,0|0,1,1]=4 2301 B9R0.79 C[C@@H](C(=O)O)C(N)C(=O)O Amb27877897 [0,1,0,0,1,0|1,0,0]=3 2302 B9R0.79 C[C@@H](C(=O)O)[C@@H](N)C(=O)O Amb27170727 [0,1,0,0,1,0|1,0,0]=3 2303 B9R0.79 C[C@@H](C(=O)O)[C@H](N)C(=O)O Amb25324829 [0,1,0,0,1,0|1,0,0]=3 2304 B9R0.79 C[C@@H](C(=O)O)[C@H](O)C(=O)O Amb27243908 [0,1,0,0,1,0|2,0,0]=4 2305 B9R0.79 C[C@@H](O)[C@H](C)[C@@H](N)C(=O)O Amb27252085 [0,1,0,0,1,0|0,0,2]=4 2306 B9R0.79 C[C@@H](O)[C@H](C)[C@H](N)C(=O)O Amb17615448 [0,1,0,0,1,0|0,0,2]=4 2307 B9R0.79 C[C@H](C(=O)O)[C@@H](C)C(=O)O Amb22801175 [0,1,0,0,1,0|2,0,0]=4 2308 B9R0.79 C[C@H](C(=O)O)[C@@H](C)C(N)=O Amb27771245 [0,1,0,0,1,0|2,0,0]=4 2309 B9R0.79 C[C@H](C(=O)O)[C@@H](N)C(=O)O Amb27783086 [0,1,0,0,1,0|1,0,0]=3 2310 B9R0.79 C[C@H](C(=O)O)[C@@H](N)C(=O)O Amb31031234 [0,1,0,0,1,0|1,0,0]=3 2311 B9R0.79 C[C@H](C(=O)O)[C@H](Br)C(=O)O Amb27463297 [0,1,0,0,1,0|2,0,0]=4 2312 B9R0.79 C[C@H](C(=O)O)[C@H](C)C(=O)O Amb27460990 [0,1,0,0,1,0|2,0,0]=4 2313 B9R0.79 C[C@H](C(=O)O)[C@H](Cl)C(=O)O Amb27955233 [0,1,0,0,1,0|2,0,0]=4 2314 B9R0.79 C[C@H](O)[C@@H](C)[C@@H](N)C(=O)O Amb27655509 [0,1,0,0,1,0|0,0,2]=4 2315 B9R0.79 C[C@H](O)[C@H](C)[C@H](N)C(=O)O Amb27595659 [0,1,0,0,1,0|0,0,2]=4 2316 B9R0.79 C[C@H]([C@@H](C)O)[C@@H](N)C(=O)O Amb25693814 [0,1,0,0,1,0|0,0,2]=4 2317 B9R0.79 NC(=O)C(N)C(N)C(=O)O Amb27424997 [0,1,0,0,1,0|1,0,0]=3 2318 B9R0.79 NC(=O)C(O)C(O)C(=O)O Amb24112928 [0,1,0,0,1,0|2,0,0]=4 2319 B9R0.79 NC(=O)[C@@H](N)[C@@H](O)C(N)=O Amb27259156 [0,1,0,0,1,0|2,0,0]=4 2320 B9R0.79 NC(=O)[C@@H](N)[C@H](O)C(N)=O Amb28126957 [0,1,0,0,1,0|2,0,0]=4 2321 B9R0.79 NC(=O)[C@@H](O)[C@H](N)C(=O)O Amb24763774 [0,1,0,0,1,0|1,0,0]=3 2322 B9R0.79 NC(=O)[C@H](O)[C@@H](O)C(=O)O Amb28341817 [0,1,0,0,1,0|2,0,0]=4 2323 B9R0.79 NC(C(=O)O)C(F)C(=O)O Amb24061061 [0,1,0,0,1,0|1,0,0]=3 2324 B9R0.79 NC(C(=O)O)C(N)C(=O)O Amb24117894 [0,1,0,0,1,0|1,0,0]=3 2325 B9R0.79 NC(C(=O)O)C(O)C(=O)O Amb9871461 [0,1,0,0,1,0|1,0,0]=3 2326 B9R0.79 N[C@@H](C(=O)O)C(F)C(=O)O Amb27494927 [0,1,0,0,1,0|1,0,0]=3 2327 B9R0.79 N[C@@H](C(=O)O)[C@@H](O)C(=O)O Amb17942870 [0,1,0,0,1,0|1,0,0]=3 2328 B9R0.79 N[C@@H](C(=O)O)[C@H](O)C(=O)O Amb27470435 [0,1,0,0,1,0|1,0,0]=3 2329 B9R0.79 N[C@H](C(=O)O)C(F)C(=O)O Amb27796116 [0,1,0,0,1,0|1,0,0]=3 2330 B9R0.79 N[C@H](C(=O)O)[C@@H](F)C(=O)O Amb27865514 [0,1,0,0,1,0|1,0,0]=3 2331 B9R0.79 N[C@H](C(=O)O)[C@@H](N)C(=O)O Amb10072362 [0,1,0,0,1,0|1,0,0]=3 2332 B9R0.79 N[C@H](C(=O)O)[C@@H](O)C(=O)O Amb24087715 [0,1,0,0,1,0|1,0,0]=3 2333 B9R0.79 N[C@H](C(=O)O)[C@@H](O)C(=O)O Amb24117974 [0,1,0,0,1,0|1,0,0]=3 2334 B9R0.79 N[C@H](C(=O)O)[C@H](Cl)C(=O)O Amb27796563 [0,1,0,0,1,0|1,0,0]=3 2335 B9R0.79 N[C@H](C(=O)O)[C@H](F)C(=O)O Amb26945975 [0,1,0,0,1,0|1,0,0]=3 2336 B9R0.79 N[C@H](C(=O)O)[C@H](N)C(=O)O Amb27173533 [0,1,0,0,1,0|1,0,0]=3 2337 B9R0.79 N[C@H](C(=O)O)[C@H](O)C(=O)O Amb17615140 [0,1,0,0,1,0|1,0,0]=3 2338 B9R0.79 N[C@H](C(=O)O)[C@H](O)C(=O)O Amb33714683 [0,1,0,0,1,0|1,0,0]=3 2339 B9R0.79 O=C(O)C(Br)C(Br)C(=O)O Amb2686761 [0,1,0,0,1,0|2,0,0]=4 2340 B9R0.79 O=C(O)C(Cl)C(Cl)C(=O)O Amb26345874 [0,1,0,0,1,0|2,0,0]=4 2341 B9R0.79 O=C(O)C(F)C(Cl)C(=O)O Amb27875188 [0,1,0,0,1,0|2,0,0]=4 2342 B9R0.79 O=C(O)C(O)C(Cl)C(=O)O Amb17594225 [0,1,0,0,1,0|2,0,0]=4 2343 B9R0.79 O=C(O)C(O)C(F)C(=O)O Amb24479232 [0,1,0,0,1,0|2,0,0]=4 2344 B9R0.79 O=C(O)C(O)C(O)C(=O)O Amb24668916 [0,1,0,0,1,0|2,0,0]=4 2345 B9R0.79 O=C(O)C(O)C(O)C(=O)O Amb6608787 [0,1,0,0,1,0|2,0,0]=4 2346 B9R0.79 O=C(O)C(O)C(O)C(=O)S Amb28050895 [0,1,0,0,1,0|2,0,0]=4 2347 B9R0.79 O=C(O)C(S)C(S)C(=O)O Amb8627761 [0,1,0,0,1,0|2,0,0]=4 2348 B9R0.79 O=C(O)[C@@H](Cl)[C@H](O)C(=O)O Amb27845392 [0,1,0,0,1,0|2,0,0]=4 2349 B9R0.79 O=C(O)[C@@H](O)[C@@H](O)C(=O)O Amb22230832 [0,1,0,0,1,0|2,0,0]=4 2350 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O Amb17616192 [0,1,0,0,1,0|2,0,0]=4 2351 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O Amb19884028 [0,1,0,0,1,0|2,0,0]=4 2352 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O Amb22750609 [0,1,0,0,1,0|2,0,0]=4 2353 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O Amb22756774 [0,1,0,0,1,0|2,0,0]=4 2354 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O Amb34915014 [0,1,0,0,1,0|2,0,0]=4 2355 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O Amb5722339 [0,1,0,0,1,0|2,0,0]=4 2356 B9R0.79 O=C(O)[C@@H](S)[C@H](S)C(=O)O Amb28195042 [0,1,0,0,1,0|2,0,0]=4 2357 B9R0.79 O=C(O)[C@H](Br)[C@H](F)C(=O)O Amb28050029 [0,1,0,0,1,0|2,0,0]=4 2358 B9R0.79 O=C(O)[C@H](F)[C@H](F)C(=O)O Amb28365940 [0,1,0,0,1,0|2,0,0]=4 2359 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O Amb19884026 [0,1,0,0,1,0|2,0,0]=4 2360 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O Amb20240604 [0,1,0,0,1,0|2,0,0]=4 2361 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O Amb20670711 [0,1,0,0,1,0|2,0,0]=4 2362 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O Amb34915016 [0,1,0,0,1,0|2,0,0]=4 2363 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O Amb8628435 [0,1,0,0,1,0|2,0,0]=4 2364 B9R0.79 O=C(O)[C@H](O)[C@H](Br)C(=O)O Amb28252354 [0,1,0,0,1,0|2,0,0]=4 2365 B9R0.79 O=C(O)[C@H](O)[C@H](Cl)C(=O)O Amb27477747 [0,1,0,0,1,0|2,0,0]=4 2366 B9R0.79 O=C(O)[C@H](S)[C@H](S)C(=O)O Amb8393135 [0,1,0,0,1,0|2,0,0]=4 2367 B9R0.79 O=C([O-])C(O)C(O)C(=O)O Amb20246422 [0,1,0,0,1,0|2,0,0]=4 2368 B9R0.79 O=C([O-])C(O)C(O)C(=O)O Amb8517447 [0,1,0,0,1,0|2,0,0]=4 2369 B9R0.79 O=C([O-])[C@H](O)[C@@H](O)C(=O)O Amb34915846 [0,1,0,0,1,0|2,0,0]=4 2370 B11R0.93 COC(=O)CC(O)COC(C)=O Amb17778578 [0,1,0,0,0,1|1,0,0]=3 2371 B11R0.107 COC(=O)CC[C@@H](N)CC(=O)O Amb33621268 [0,1,0,0,0,1|1,0,0]=3 2372 B11R0.107 COC(=O)CC[C@@H](N)CC(=O)O Amb33744519 [0,1,0,0,0,1|1,0,0]=3 2373 B11R0.143 C=CC(COC(C)=O)OC(C)=O Amb8516565 [0,1,0,0,0,1|2,0,0]=4 2374 B11R0.143 CC(=O)OCC(CO)OC(C)=O Amb19960032 [0,1,0,0,0,1|2,0,0]=4 2375 B11R0.143 CC(=O)OCC(CO)OC(C)=O Amb33987901 [0,1,0,0,0,1|2,0,0]=4 2376 B11R0.143 CC(C)OCC(CN)CC(=O)O Amb33274849 [0,1,0,0,0,1|1,0,1]=4 2377 B11R0.149 CC(=O)OC(C)C(C)OC(C)=O Amb22263365 [0,1,0,0,0,1|2,0,0]=4 2378 B11R0.149 NC(CC(=O)O)C(N)CC(=O)O Amb24114097 [0,1,0,0,0,1|2,0,0]=4 2379 B11R0.232 CC(=O)OCC(C)(C)CC(=O)O Amb28653070 [0,1,0,0,0,1|1,0,0]=3 2380 B11R0.337 CC(C)(C)OCC(N)CC(=O)O Amb33418836 [0,1,0,0,0,1|1,0,1]=4 2381 B11R0.337 CC(C)(C)OC[C@H](N)CC(=O)O Amb33872291 [0,1,0,0,0,1|1,0,1]=4 2382 B11R0.337 CC(C)(C)OC[C@H](N)CC(=O)O Amb35747672 [0,1,0,0,0,1|1,0,1]=4 2383 B11R0.337 CS(=O)(=O)OCC(O)CC(=O)O Amb27863847 [0,1,0,0,0,1|2,0,0]=4 2384 B11R0.109 CC(C#N)OCCC(N)C(=O)O Amb33308663 [0,1,0,0,0,1|1,0,1]=4 2385 B11R0.109 CC(C#N)OCC[C@@H](N)C(=O)O Amb33066273 [0,1,0,0,0,1|1,0,1]=4 2386 B11R0.109 CC(C#N)OCC[C@H](N)C(=O)O Amb33065809 [0,1,0,0,0,1|1,0,1]=4 2387 B11R0.109 CCC(=O)CCCC(N)C(=O)O Amb33036923 [0,1,0,0,0,1|1,0,0]=3 2388 B11R0.109 CCC(=O)CCCC(N)C(N)=O Amb33308786 [0,1,0,0,0,1|2,0,0]=4 2389 B11R0.109 CCC(=O)CCC[C@@H](N)C(=O)O Amb32864919 [0,1,0,0,0,1|1,0,0]=3 2390 B11R0.109 CCC(=O)CCC[C@H](N)C(=O)O Amb33309055 [0,1,0,0,0,1|1,0,0]=3 2391 B11R0.109 COC(=O)CCC[C@H](N)C(=O)O Amb13884888 [0,1,0,0,0,1|1,0,0]=3 2392 B11R0.109 COC(=O)CSCC(N)C(=O)O Amb6273780 [0,1,0,0,0,1|0,1,0]=3 2393 B11R0.145 COC(=O)C(N)CCC=C(C)C Amb32940434 [0,1,0,0,0,1|2,0,0]=4 2394 B11R0.145 COC(=O)C(N)CCCC(C)=O Amb33065910 [0,1,0,0,0,1|1,0,0]=3 2395 B11R0.145 COC(=O)C(N)CCOC(C)C Amb18790633 [0,1,0,0,0,1|1,0,1]=4 2396 B11R0.145 COC(=O)C(N)CCSC(C)=O Amb32666268 [0,1,0,0,0,1|0,1,0]=3 2397 B11R0.145 COC(=O)C(N)CCSC(C)=O Amb32666269 [0,1,0,0,0,1|0,1,0]=3 2398 B11R0.145 COC(=O)C(N)COCC(C)C Amb18790571 [0,1,0,0,0,1|1,0,1]=4 2399 B11R0.145 COC(=O)[C@@H](N)CCSC(C)=O Amb32653054 [0,1,0,0,0,1|0,1,0]=3 2400 B11R0.145 COC(=O)[C@@H](N)CCSC(C)=O Amb32653055 [0,1,0,0,0,1|0,1,0]=3 2401 B11R0.150 CC(C)=C(C)CCC(N)C(=O)O Amb33308686 [0,1,0,0,0,1|2,0,0]=4 2402 B11R0.150 CC(C)=C(C)CC[C@@H](N)C(=O)O Amb33066034 [0,1,0,0,0,1|2,0,0]=4 2403 B11R0.150 CC(C)=C(C)CC[C@H](N)C(=O)O Amb33309186 [0,1,0,0,0,1|2,0,0]=4 2404 B11R0.150 NC(CCC(N)C(=O)O)C(=O)O Amb10602546 [0,1,0,0,0,1|2,0,0]=4 2405 B11R0.202 CC(C)=NOCC(F)(F)C(=O)O Amb33169232 [0,1,0,0,0,1|2,0,0]=4 2406 B11R0.273 CCC(NCCC(C)=O)C(=O)O Amb32675830 [0,1,0,0,0,1|2,0,0]=4 2407 B11R0.318 CC(C)(C)OCCC(N)C(=O)O Amb18790630 [0,1,0,0,0,1|1,0,1]=4 2408 B11R0.318 CC(C)(C)OCC[C@@H](N)C(=O)O Amb33066288 [0,1,0,0,0,1|1,0,1]=4 2409 B11R0.318 CC(C)(C)OCC[C@H](N)C(=O)O Amb33037006 [0,1,0,0,0,1|1,0,1]=4 2410 B11R0.318 CS(=O)(=O)CCCC(N)C(=O)O Amb18189488 [0,1,0,0,0,1|2,0,0]=4 2411 B11R0.318 CS(=O)(=O)CCC[C@@H](N)C(=O)O Amb32789421 [0,1,0,0,0,1|2,0,0]=4 2412 B11R0.318 CS(=O)(=O)CCC[C@H](N)C(=O)O Amb33308913 [0,1,0,0,0,1|2,0,0]=4 2413 B11R0.63 COC(=O)C(C)C(C)SC(C)=O Amb33307178 [0,2,0,0,0,0|1,1,0]=4 2414 B11R0.63 COC(=O)[C@@H](N)[C@@H](C)SC(C)=O Amb24117265 [0,2,0,0,0,0|0,1,0]=3 2415 B11R0.308 CC(OC(C)(C)C)C(N)C(=O)O Amb10576083 [0,2,0,0,0,0|1,0,1]=4 2416 B11R0.308 CC(OP(=O)(O)O)C(N)C(=O)O Amb9825506 [0,2,0,0,0,0|2,0,0]=4 2417 B11R0.308 CS(=O)(=O)CC(O)C(N)C(=O)O Amb33055770 [0,2,0,0,0,0|2,0,0]=4 2418 B11R0.308 C[C@@H](OC(C)(C)C)[C@@H](N)C(=O)O Amb31289262 [0,2,0,0,0,0|1,0,1]=4 2419 B11R0.308 C[C@@H](OC(C)(C)C)[C@H](N)C(=O)O Amb10608387 [0,2,0,0,0,0|1,0,1]=4 2420 B11R0.308 C[C@H](OC(C)(C)C)[C@@H](N)C(=O)O Amb22169616 [0,2,0,0,0,0|1,0,1]=4 2421 B11R0.308 C[C@H](OC(C)(C)C)[C@H](N)C(=O)O Amb16183979 [0,2,0,0,0,0|1,0,1]=4 2422 B11R0.169 NC(=O)C(F)(F)CC(N)C(=O)O Amb33309520 [0,2,0,0,0,0|2,0,0]=4 2423 B11R0.169 NC(CC(F)(F)C(=O)O)C(=O)O Amb16185493 [0,2,0,0,0,0|2,0,0]=4 2424 B11R0.169 N[C@@H](CC(F)(F)C(=O)O)C(=O)O Amb19375300 [0,2,0,0,0,0|2,0,0]=4 2425 B11R0.201 CNC(=O)NCC(F)(F)C(=O)O Amb27262644 [0,2,0,0,0,0|2,0,0]=4 2426 B11R0.201 COC(=O)CCC(C)(C)C(=O)O Amb18127171 [0,2,0,0,0,0|2,0,0]=4 2427 B11R0.288 COC(=O)C(C)(C)CSC(C)=O Amb32653008 [0,2,0,0,0,0|1,1,0]=4 2428 B11R0.59 C=C(C)CCC(N)C(=O)OCC Amb33065872 [0,2,0,0,0,0|2,0,0]=4 2429 B11R0.59 CCOC(=O)C(N)CC=C(C)C Amb32671422 [0,2,0,0,0,0|2,0,0]=4 2430 B11R0.59 CCOC(=O)C(N)CCC(C)=O Amb32864915 [0,2,0,0,0,0|1,0,0]=3 2431 B11R0.59 CCOC(=O)C(N)CCS(C)=O Amb33066328 [0,2,0,0,0,0|2,0,0]=4 2432 B11R0.59 CCOC(=O)C(N)COC(C)=O Amb33802355 [0,2,0,0,0,0|0,0,0]=2 2433 B11R0.59 CCOC(=O)C(N)COC(C)C Amb18790576 [0,2,0,0,0,0|1,0,1]=4 2434 B11R0.59 CCOC(=O)[C@@H](N)CCS(C)=O Amb33802361 [0,2,0,0,0,0|2,0,0]=4 2435 B11R0.59 CCOC(=O)[C@H]([NH3+])CSC(C)=O Amb28464001 [0,2,0,0,0,0|0,1,1]=4 2436 B11R0.117 CCC(=O)C(C)CC(C)C(=O)O Amb32759401 [0,2,0,0,0,0|2,0,0]=4 2437 B11R0.117 COC(=O)C(C)CC(C)C(=O)O Amb18647808 [0,2,0,0,0,0|2,0,0]=4 2438 B11R0.118 CNC(COC(C)C)C(=O)OC Amb18790577 [0,2,0,0,0,0|1,0,1]=4 2439 B11R0.118 CNC(COC(C)C)C(=O)OC Amb20668174 [0,2,0,0,0,0|1,0,1]=4 2440 B11R0.118 COC(=O)C(CN)COC(C)C Amb33274113 [0,2,0,0,0,0|1,0,1]=4 2441 B11R0.120 CCC(C)OCC(N)C(=O)OC Amb18790607 [0,2,0,0,0,0|1,0,1]=4 2442 B11R0.120 COC(=O)C(O)CNC(=O)CCl Amb33715367 [0,2,0,0,0,0|2,0,0]=4 2443 B11R0.120 COC(=O)CCC(Br)C(=O)OC Amb22500129 [0,2,0,0,0,0|2,0,0]=4 2444 B11R0.120 COC(=O)CCC(N)C(=O)OC Amb32666097 [0,2,0,0,0,0|1,0,0]=3 2445 B11R0.120 COC(=O)CCC(N)C(=O)OC Amb6366233 [0,2,0,0,0,0|1,0,0]=3 2446 B11R0.120 COC(=O)CCC(N)C(=O)OC Amb6458826 [0,2,0,0,0,0|1,0,0]=3 2447 B11R0.120 COC(=O)CC[C@@H](N)C(=O)OC Amb16183941 [0,2,0,0,0,0|1,0,0]=3 2448 B11R0.120 COC(=O)CC[C@@H](N)C(=O)OC Amb22230568 [0,2,0,0,0,0|1,0,0]=3 2449 B11R0.120 COC(=O)CC[C@@H](O)C(=O)OC Amb33620357 [0,2,0,0,0,0|2,0,0]=4 2450 B11R0.120 COC(=O)CC[C@H](N)C(=O)OC Amb13884889 [0,2,0,0,0,0|1,0,0]=3 2451 B11R0.120 COC(=O)CC[C@H](N)C(=O)OC Amb3940075 [0,2,0,0,0,0|1,0,0]=3 2452 B11R0.120 COC(=O)CC[C@H](N)C(=O)OC Amb8390403 [0,2,0,0,0,0|1,0,0]=3 2453 B11R0.120 COC(=O)CC[C@H](O)C(=O)OC Amb33620358 [0,2,0,0,0,0|2,0,0]=4 2454 B11R0.290 COC(=O)C(C)COS(C)(=O)=O Amb28283480 [0,2,0,0,0,0|2,0,0]=4 2455 B11R0.290 COC(=O)C(N)CCS(C)(=O)=O Amb32620340 [0,2,0,0,0,0|2,0,0]=4 2456 B11R0.290 COC(=O)C(N)CCS(C)(=O)=O Amb9206205 [0,2,0,0,0,0|2,0,0]=4 2457 B11R0.290 COC(=O)C(N)COC(C)(C)C Amb18804319 [0,2,0,0,0,0|1,0,1]=4 2458 B11R0.290 COC(=O)[C@@H](N)CCS(C)(=O)=O Amb33804694 [0,2,0,0,0,0|2,0,0]=4 2459 B11R0.290 COC(=O)[C@@H](N)COC(C)(C)C Amb16183836 [0,2,0,0,0,0|1,0,1]=4 2460 B11R0.290 COC(=O)[C@@H](N)COC(C)(C)C Amb8629085 [0,2,0,0,0,0|1,0,1]=4 2461 B11R0.290 COC(=O)[C@H](N)COC(C)(C)C Amb16183833 [0,2,0,0,0,0|1,0,1]=4 2462 B11R0.290 COC(=O)[C@H](N)COC(C)(C)C Amb8390420 [0,2,0,0,0,0|1,0,1]=4 2463 B11R0.21 CCC(CC)OCC(N)C(=O)O Amb33309179 [0,2,0,0,0,0|1,0,1]=4 2464 B11R0.21 CCC(CC)OC[C@@H](N)C(=O)O Amb33066197 [0,2,0,0,0,0|1,0,1]=4 2465 B11R0.21 CCC(CC)OC[C@H](N)C(=O)O Amb32937016 [0,2,0,0,0,0|1,0,1]=4 2466 B11R0.141 CCNC(=O)CC[C@@H](N)C(=O)O Amb19134042 [0,2,0,0,0,0|1,0,0]=3 2467 B11R0.141 CCNC(=O)CC[C@H](N)C(=O)O Amb8390594 [0,2,0,0,0,0|1,0,0]=3 2468 B11R0.141 CCOC(=O)CCC(Br)C(=O)O Amb32941131 [0,2,0,0,0,0|2,0,0]=4 2469 B11R0.141 CCOC(=O)CCC(Cl)C(=O)O Amb32680769 [0,2,0,0,0,0|2,0,0]=4 2470 B11R0.141 CCOC(=O)CCC(N)C(=O)O Amb6740305 [0,2,0,0,0,0|1,0,0]=3 2471 B11R0.141 CCOC(=O)CCC(O)C(=O)O Amb32941118 [0,2,0,0,0,0|2,0,0]=4 2472 B11R0.141 CCOC(=O)CC[C@@H](N)C(=O)O Amb22745269 [0,2,0,0,0,0|1,0,0]=3 2473 B11R0.141 CCOC(=O)CC[C@H](N)C(=O)O Amb8385328 [0,2,0,0,0,0|1,0,0]=3 2474 B11R0.141 [N-]=[N+]=CC(=O)CC[C@H](N)C(=O)O Amb16183956 [0,2,0,0,0,0|1,0,1]=4 2475 B11R0.302 CCS(=O)(=O)CCC(N)C(=O)O Amb4018747 [0,2,0,0,0,0|2,0,0]=4 2476 B11R0.302 CCS(=O)(=O)CC[C@@H](N)C(=O)O Amb32789514 [0,2,0,0,0,0|2,0,0]=4 2477 B11R0.302 CCS(=O)(=O)CC[C@H](N)C(=O)O Amb32788585 [0,2,0,0,0,0|2,0,0]=4 2478 B11R0.28 CC(=O)CCC(C(=O)O)C(C)C Amb533059 [0,2,0,0,0,0|2,0,0]=4 2479 B11R0.28 CC(N)C(CCC(=O)O)C(=O)O Amb32674919 [0,2,0,0,0,0|2,0,0]=4 2480 B11R0.28 CC(N)C(CCC(=O)O)C(=O)O Amb32674947 [0,2,0,0,0,0|2,0,0]=4 2481 B11R0.146 C=C(C)CCC(NC=O)C(=O)O Amb33036842 [0,2,0,0,0,0|2,0,0]=4 2482 B11R0.146 CC(=O)CCC(NC=O)C(=O)O Amb33309217 [0,2,0,0,0,0|1,0,0]=3 2483 B11R0.146 CC(C)=CCC(NC=O)C(=O)O Amb33042689 [0,2,0,0,0,0|2,0,0]=4 2484 B11R0.146 CC(C)OCC(NC=O)C(=O)O Amb33066115 [0,2,0,0,0,0|1,0,1]=4 2485 B11R0.146 CCCC(CCC(C)=O)C(=O)O Amb533087 [0,2,0,0,0,0|2,0,0]=4 2486 B11R0.146 CCN[C@@H](CCC(N)=O)C(=O)O Amb16232996 [0,2,0,0,0,0|2,0,0]=4 2487 B11R0.146 CS(=O)CCC(NC=O)C(=O)O Amb33065731 [0,2,0,0,0,0|2,0,0]=4 2488 B11R0.275 CCC(CC(N)C(=O)O)C(=O)O Amb4006858 [0,2,0,0,0,0|2,0,0]=4 2489 B11R0.313 CC(C)(C)OCC(CN)C(=O)O Amb33326259 [0,2,0,0,0,0|1,0,1]=4 2490 B11R0.313 CN[C@@H](COC(C)(C)C)C(=O)O Amb22745352 [0,2,0,0,0,0|1,0,1]=4 2491 B9R1.5 N[C@H]1COCCNC1=O Amb27234381 [1,0,0,1,0,0|1,0,1]=4 2492 B9R1.6 CC(=O)C1COCCN1 Amb24761214 [1,0,0,1,0,0|1,0,1]=4 2493 B9R1.6 NC(=O)C1CC=CCN1 Amb31030970 [1,0,0,1,0,0|2,0,0]=4 2494 B9R1.6 NC(=O)C1COCCN1 Amb22059486 [1,0,0,1,0,0|1,0,1]=4 2495 B9R1.6 NC(=O)C1COCCN1 Amb31308018 [1,0,0,1,0,0|1,0,1]=4 2496 B9R1.6 NC(=O)[C@H]1COCCN1 Amb27591943 [1,0,0,1,0,0|1,0,1]=4 2497 B9R1.6 NC(=O)[C@H]1COCCN1 Amb27838503 [1,0,0,1,0,0|1,0,1]=4 2498 B9R1.6 O=C(O)C1CC=CCC1 Amb2695197 [1,0,0,1,0,0|2,0,0]=4 2499 B9R1.6 O=C(O)C1CC=CCN1 Amb2698158 [1,0,0,1,0,0|1,0,0]=3 2500 B9R1.6 O=C(O)C1CC=CCO1 Amb18642584 [1,0,0,1,0,0|2,0,0]=4 2501 B9R1.6 O=C(O)C1CCCCN1 Amb6754083 [1,0,0,1,0,0|1,0,1]=4 2502 B9R1.6 O=C(O)C1CCCCN1 Amb9703161 [1,0,0,1,0,0|1,0,1]=4 2503 B9R1.6 O=C(O)C1CCCOC1 Amb1102367 [1,0,0,1,0,0|1,0,1]=4 2504 B9R1.6 O=C(O)C1CCOCN1 Amb28042897 [1,0,0,1,0,0|2,0,0]=4 2505 B9R1.6 O=C(O)C1CCSCN1 Amb1102215 [1,0,0,1,0,0|2,0,0]=4 2506 B9R1.6 O=C(O)C1CCSCN1 Amb22284134 [1,0,0,1,0,0|2,0,0]=4 2507 B9R1.6 O=C(O)C1CNCCN1 Amb22490977 [1,0,0,1,0,0|1,0,1]=4 2508 B9R1.6 O=C(O)C1CNCCN1 Amb2690349 [1,0,0,1,0,0|1,0,1]=4 2509 B9R1.6 O=C(O)C1CNCCN1 Amb2720318 [1,0,0,1,0,0|1,0,1]=4 2510 B9R1.6 O=C(O)C1COCCN1 Amb10607157 [1,0,0,1,0,0|0,0,1]=3 2511 B9R1.6 O=C(O)C1COCCN1 Amb2694767 [1,0,0,1,0,0|0,0,1]=3 2512 B9R1.6 O=C(O)C1COCCO1 Amb5399760 [1,0,0,1,0,0|1,0,1]=4 2513 B9R1.6 O=C(O)C1CSCCN1 Amb19888398 [1,0,0,1,0,0|0,1,1]=4 2514 B9R1.6 O=C(O)C1CSCCN1 Amb2695006 [1,0,0,1,0,0|0,1,1]=4 2515 B9R1.6 O=C(O)[C@@H]1CC=CCC1 Amb19131346 [1,0,0,1,0,0|2,0,0]=4 2516 B9R1.6 O=C(O)[C@@H]1CCC=CN1 Amb19888332 [1,0,0,1,0,0|1,0,1]=4 2517 B9R1.6 O=C(O)[C@@H]1CCC=NN1 Amb27468483 [1,0,0,1,0,0|2,0,0]=4 2518 B9R1.6 O=C(O)[C@@H]1CCCCN1 Amb2690345 [1,0,0,1,0,0|1,0,1]=4 2519 B9R1.6 O=C(O)[C@@H]1CCCCN1 Amb8384272 [1,0,0,1,0,0|1,0,1]=4 2520 B9R1.6 O=C(O)[C@@H]1CCCOC1 Amb26885613 [1,0,0,1,0,0|1,0,1]=4 2521 B9R1.6 O=C(O)[C@@H]1CNCCN1 Amb6307277 [1,0,0,1,0,0|1,0,1]=4 2522 B9R1.6 O=C(O)[C@@H]1CNCCN1 Amb6307319 [1,0,0,1,0,0|1,0,1]=4 2523 B9R1.6 O=C(O)[C@@H]1COCCN1 Amb10576585 [1,0,0,1,0,0|0,0,1]=3 2524 B9R1.6 O=C(O)[C@@H]1COCCN1 Amb2696709 [1,0,0,1,0,0|0,0,1]=3 2525 B9R1.6 O=C(O)[C@@H]1COCCO1 Amb23438856 [1,0,0,1,0,0|1,0,1]=4 2526 B9R1.6 O=C(O)[C@@H]1CSCCN1 Amb22386830 [1,0,0,1,0,0|0,1,1]=4 2527 B9R1.6 O=C(O)[C@@H]1CSCCN1 Amb8630483 [1,0,0,1,0,0|0,1,1]=4 2528 B9R1.6 O=C(O)[C@H]1CC=CCC1 Amb17611453 [1,0,0,1,0,0|2,0,0]=4 2529 B9R1.6 O=C(O)[C@H]1CCC=NN1 Amb27596226 [1,0,0,1,0,0|2,0,0]=4 2530 B9R1.6 O=C(O)[C@H]1CCCCN1 Amb2700060 [1,0,0,1,0,0|1,0,1]=4 2531 B9R1.6 O=C(O)[C@H]1CCCCN1 Amb8515100 [1,0,0,1,0,0|1,0,1]=4 2532 B9R1.6 O=C(O)[C@H]1CCSCN1 Amb25773953 [1,0,0,1,0,0|2,0,0]=4 2533 B9R1.6 O=C(O)[C@H]1CNCCN1 Amb20241207 [1,0,0,1,0,0|1,0,1]=4 2534 B9R1.6 O=C(O)[C@H]1CNCCN1 Amb2694998 [1,0,0,1,0,0|1,0,1]=4 2535 B9R1.6 O=C(O)[C@H]1CNCCN1 Amb8628465 [1,0,0,1,0,0|1,0,1]=4 2536 B9R1.6 O=C(O)[C@H]1COCCN1 Amb16232575 [1,0,0,1,0,0|0,0,1]=3 2537 B9R1.6 O=C(O)[C@H]1COCCN1 Amb2696766 [1,0,0,1,0,0|0,0,1]=3 2538 B9R1.6 O=C(O)[C@H]1COCCO1 Amb26430807 [1,0,0,1,0,0|1,0,1]=4 2539 B9R1.6 O=C(O)[C@H]1CSCCN1 Amb2700568 [1,0,0,1,0,0|0,1,1]=4 2540 B9R1.23 CC1CC(C=O)OC1=O Amb28253804 [1,0,0,1,0,0|2,0,0]=4 2541 B9R1.23 CCC1CC(N)C(=O)O1 Amb27647519 [1,0,0,1,0,0|1,0,1]=4 2542 B9R1.23 O=CC1CC(O)C(=O)O1 Amb27838700 [1,0,0,1,0,0|2,0,0]=4 2543 B9R1.35 C=C(C)C1COC(=O)N1 Amb24477743 [1,0,0,1,0,0|2,0,0]=4 2544 B9R1.35 CC(=O)[C@@H]1CCC(=O)N1 Amb27167616 [1,0,0,1,0,0|2,0,0]=4 2545 B9R1.35 CC(=O)[C@H]1CCC(=O)N1 Amb27877407 [1,0,0,1,0,0|2,0,0]=4 2546 B9R1.35 CC(=O)[C@H]1COC(=O)C1 Amb18832647 [1,0,0,1,0,0|2,0,0]=4 2547 B9R1.35 CC1=NC(C(=O)O)CC1 Amb23438203 [1,0,0,1,0,0|1,0,1]=4 2548 B9R1.35 CC1=NC(C(=O)O)CC1 Amb32409643 [1,0,0,1,0,0|1,0,1]=4 2549 B9R1.35 CC1=NC(C(=O)O)CO1 Amb20621597 [1,0,0,1,0,0|0,0,1]=3 2550 B9R1.35 CC1=NC(C(=O)O)CS1 Amb18124720 [1,0,0,1,0,0|0,1,1]=4 2551 B9R1.35 CC1=NCC(C(=O)O)N1 Amb24599993 [1,0,0,1,0,0|1,0,0]=3 2552 B9R1.35 CC1=NCC(C(=O)O)S1 Amb27958674 [1,0,0,1,0,0|2,0,0]=4 2553 B9R1.35 CC1=NC[C@H](C(=O)O)N1 Amb27827434 [1,0,0,1,0,0|1,0,0]=3 2554 B9R1.35 CC1=N[C@@H](C(=O)O)CS1 Amb32676192 [1,0,0,1,0,0|0,1,1]=4 2555 B9R1.35 CC1=N[C@H](C(=O)O)CC1 Amb27455557 [1,0,0,1,0,0|1,0,1]=4 2556 B9R1.35 CC1=N[C@H](C(=O)O)CS1 Amb35648200 [1,0,0,1,0,0|0,1,1]=4 2557 B9R1.35 CC1CC(C(=O)O)CO1 Amb25922998 [1,0,0,1,0,0|1,0,1]=4 2558 B9R1.35 CC1CCC(C(=O)O)N1 Amb18832572 [1,0,0,1,0,0|1,0,1]=4 2559 B9R1.35 CC1CCC(C(=O)O)N1 Amb32652343 [1,0,0,1,0,0|1,0,1]=4 2560 B9R1.35 CC1CC[C@H](C(=O)O)N1 Amb22748252 [1,0,0,1,0,0|1,0,1]=4 2561 B9R1.35 CC1NC(C(=O)O)CS1 Amb9718451 [1,0,0,1,0,0|0,1,1]=4 2562 B9R1.35 CC1N[C@H](C(=O)O)CS1 Amb16203706 [1,0,0,1,0,0|0,1,1]=4 2563 B9R1.35 C[C@@H]1CC[C@@H](C(=O)O)N1 Amb31308105 [1,0,0,1,0,0|1,0,1]=4 2564 B9R1.35 C[C@@H]1CC[C@H](C(=O)O)N1 Amb24399449 [1,0,0,1,0,0|1,0,1]=4 2565 B9R1.35 C[C@@H]1CC[C@H](C(=O)O)N1 Amb32652487 [1,0,0,1,0,0|1,0,1]=4 2566 B9R1.35 C[C@@H]1C[C@H](C(=O)O)CO1 Amb27961253 [1,0,0,1,0,0|1,0,1]=4 2567 B9R1.35 C[C@H]1CC[C@@H](C(=O)O)N1 Amb24598417 [1,0,0,1,0,0|1,0,1]=4 2568 B9R1.35 C[C@H]1CC[C@@H](C(=O)O)N1 Amb35745779 [1,0,0,1,0,0|1,0,1]=4 2569 B9R1.35 C[C@H]1CC[C@H](C(=O)O)N1 Amb33871500 [1,0,0,1,0,0|1,0,1]=4 2570 B9R1.35 C[C@H]1N[C@@H](C(=O)O)CS1 Amb28198473 [1,0,0,1,0,0|0,1,1]=4 2571 B9R1.35 N=C1OCC(C(=O)O)S1 Amb27954988 [1,0,0,1,0,0|2,0,0]=4 2572 B9R1.35 NC(=O)C1CCC(=O)N1 Amb17142856 [1,0,0,1,0,0|2,0,0]=4 2573 B9R1.35 NC(=O)C1CSC(=O)N1 Amb27595631 [1,0,0,1,0,0|1,1,0]=4 2574 B9R1.35 NC(=O)[C@@H]1CCC(=O)N1 Amb4018786 [1,0,0,1,0,0|2,0,0]=4 2575 B9R1.35 NC(=O)[C@H]1CCC(=O)N1 Amb27961076 [1,0,0,1,0,0|2,0,0]=4 2576 B9R1.35 O=C(O)C1CSC(=S)N1 Amb7089160 [1,0,0,1,0,0|0,2,0]=4 2577 B9R1.35 O=C(O)[C@@H]1CCC(=S)N1 Amb26857015 [1,0,0,1,0,0|1,1,0]=4 2578 B9R1.35 O=C(O)[C@@H]1CSC(=S)N1 Amb9809722 [1,0,0,1,0,0|0,2,0]=4 2579 B9R1.35 O=C1C=CC(C(=O)O)N1 Amb27775192 [1,0,0,1,0,0|1,0,1]=4 2580 B9R1.35 O=C1CC(C(=O)O)CN1 Amb33545000 [1,0,0,1,0,0|2,0,0]=4 2581 B9R1.35 O=C1CC(C(=O)O)CO1 Amb22642307 [1,0,0,1,0,0|1,0,0]=3 2582 B9R1.35 O=C1CC(C(=O)O)CS1 Amb10073724 [1,0,0,1,0,0|1,1,0]=4 2583 B9R1.35 O=C1CCC(C(=O)Cl)N1 Amb17142869 [1,0,0,1,0,0|2,0,0]=4 2584 B9R1.35 O=C1CCC(C(=O)O)C1 Amb2695400 [1,0,0,1,0,0|2,0,0]=4 2585 B9R1.35 O=C1CCC(C(=O)O)N1 Amb9703102 [1,0,0,1,0,0|1,0,0]=3 2586 B9R1.35 O=C1CCC(C(=O)O)O1 Amb20623076 [1,0,0,1,0,0|2,0,0]=4 2587 B9R1.35 O=C1CCC(C(=O)O)S1 Amb23439315 [1,0,0,1,0,0|2,0,0]=4 2588 B9R1.35 O=C1CCC(C(=O)[O-])N1 Amb8514777 [1,0,0,1,0,0|1,0,1]=4 2589 B9R1.35 O=C1CC[C@@H](C(=O)O)C1 Amb27254141 [1,0,0,1,0,0|2,0,0]=4 2590 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 Amb1995036 [1,0,0,1,0,0|1,0,0]=3 2591 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 Amb24099403 [1,0,0,1,0,0|1,0,0]=3 2592 B9R1.35 O=C1CC[C@@H](C(=O)O)O1 Amb2722887 [1,0,0,1,0,0|2,0,0]=4 2593 B9R1.35 O=C1CC[C@@H](C(=O)[O-])N1 Amb8395173 [1,0,0,1,0,0|1,0,1]=4 2594 B9R1.35 O=C1CC[C@H](C(=O)O)C1 Amb22746923 [1,0,0,1,0,0|2,0,0]=4 2595 B9R1.35 O=C1CC[C@H](C(=O)O)N1 Amb2694994 [1,0,0,1,0,0|1,0,0]=3 2596 B9R1.35 O=C1CC[C@H](C(=O)O)O1 Amb2720513 [1,0,0,1,0,0|2,0,0]=4 2597 B9R1.35 O=C1C[C@@H](C(=O)O)CN1 Amb23439643 [1,0,0,1,0,0|2,0,0]=4 2598 B9R1.35 O=C1C[C@@H](C(=O)O)CO1 Amb27253217 [1,0,0,1,0,0|1,0,0]=3 2599 B9R1.35 O=C1C[C@H](C(=O)O)CN1 Amb25946886 [1,0,0,1,0,0|2,0,0]=4 2600 B9R1.35 O=C1NC(C(=O)Cl)CO1 Amb27484689 [1,0,0,1,0,0|1,0,0]=3 2601 B9R1.35 O=C1NC(C(=O)Cl)CS1 Amb28040993 [1,0,0,1,0,0|1,1,0]=4 2602 B9R1.35 O=C1NC(C(=O)O)CO1 Amb15701690 [1,0,0,1,0,0|0,0,0]=2 2603 B9R1.35 O=C1NC(C(=O)O)CS1 Amb3319393 [1,0,0,1,0,0|0,1,0]=3 2604 B9R1.35 O=C1NCC(C(=O)O)N1 Amb2780032 [1,0,0,1,0,0|1,0,0]=3 2605 B9R1.35 O=C1NCC(C(=O)O)O1 Amb24112958 [1,0,0,1,0,0|2,0,0]=4 2606 B9R1.35 O=C1NCC(C(=O)O)S1 Amb24084914 [1,0,0,1,0,0|2,0,0]=4 2607 B9R1.35 O=C1NC[C@@H](C(=O)O)N1 Amb3997304 [1,0,0,1,0,0|1,0,0]=3 2608 B9R1.35 O=C1NC[C@@H](C(=O)O)O1 Amb25146207 [1,0,0,1,0,0|2,0,0]=4 2609 B9R1.35 O=C1NC[C@H](C(=O)O)N1 Amb24079612 [1,0,0,1,0,0|1,0,0]=3 2610 B9R1.35 O=C1NC[C@H](C(=O)O)O1 Amb27771494 [1,0,0,1,0,0|2,0,0]=4 2611 B9R1.35 O=C1N[C@@H](C(=O)O)CO1 Amb24340149 [1,0,0,1,0,0|0,0,0]=2 2612 B9R1.35 O=C1N[C@@H](C(=O)O)CS1 Amb537246 [1,0,0,1,0,0|0,1,0]=3 2613 B9R1.35 O=C1N[C@H](C(=O)O)CO1 Amb19517080 [1,0,0,1,0,0|0,0,0]=2 2614 B9R1.35 O=C1N[C@H](C(=O)O)CS1 Amb1157856 [1,0,0,1,0,0|0,1,0]=3 2615 B9R1.35 O=C1OCC(C(=O)O)O1 Amb25767974 [1,0,0,1,0,0|1,0,0]=3 2616 B9R1.35 O=C1SCC(C(=O)O)S1 Amb23504458 [1,0,0,1,0,0|1,1,0]=4 2617 B9R1.45 C=C1CC1C(N)C(=O)O Amb24117258 [1,0,0,1,0,0|1,0,1]=4 2618 B9R1.45 C=C1CC1C(N)C(=O)O Amb27489118 [1,0,0,1,0,0|1,0,1]=4 2619 B9R1.45 C=C1C[C@@H]1[C@H](N)C(=O)O Amb28349320 [1,0,0,1,0,0|1,0,1]=4 2620 B9R1.45 CC1CC1C(N)C(=O)O Amb33359576 [1,0,0,1,0,0|1,0,1]=4 2621 B9R1.59 CCOC1CC1C(=O)O Amb9677563 [1,0,0,1,0,0|1,0,1]=4 2622 B9R1.59 CCO[C@@H]1C[C@@H]1C(=O)O Amb27818165 [1,0,0,1,0,0|1,0,1]=4 2623 B9R1.59 CCO[C@@H]1C[C@H]1C(=O)O Amb25959626 [1,0,0,1,0,0|1,0,1]=4 2624 B9R1.59 C\C=C\C1CC1C(=O)O Amb27169581 [1,0,0,1,0,0|2,0,0]=4 2625 B9R1.59 C\C=C\[C@@H]1C[C@H]1C(=O)O Amb27771439 [1,0,0,1,0,0|2,0,0]=4 2626 B9R1.69 CC1=CCC(C)C(=O)O1 Amb6600560 [1,0,0,1,0,0|2,0,0]=4 2627 B9R1.69 CC1CCC(=O)OC1=O Amb24117247 [1,0,0,1,0,0|2,0,0]=4 2628 B9R1.69 NC1CCC(=O)NC1=O Amb16233835 [1,0,0,1,0,0|2,0,0]=4 2629 B9R1.69 NC1CCC(=O)NC1=O Amb20620338 [1,0,0,1,0,0|2,0,0]=4 2630 B9R1.69 NC1CCC(=O)NC1=O Amb22640986 [1,0,0,1,0,0|2,0,0]=4 2631 B9R1.69 NC1CCC(=O)NC1=O Amb30982658 [1,0,0,1,0,0|2,0,0]=4 2632 B9R1.69 NC1CCC(=O)OC1=O Amb27838431 [1,0,0,1,0,0|1,0,0]=3 2633 B9R1.69 NC1CNC(=O)NC1=O Amb28429840 [1,0,0,1,0,0|2,0,0]=4 2634 B9R1.69 N[C@@H]1CCC(=O)NC1=O Amb18536900 [1,0,0,1,0,0|2,0,0]=4 2635 B9R1.69 N[C@@H]1CCC(=O)NC1=O Amb31291118 [1,0,0,1,0,0|2,0,0]=4 2636 B9R1.69 O=C1CCC(Br)C(=O)O1 Amb25680134 [1,0,0,1,0,0|2,0,0]=4 2637 B9R1.93 C=CC1CC1(N)C(=O)O Amb10068409 [1,0,0,1,0,0|1,0,1]=4 2638 B9R1.93 C=C[C@@H]1C[C@@]1(N)C(=O)O Amb26958678 [1,0,0,1,0,0|1,0,1]=4 2639 B9R1.93 C=C[C@H]1C[C@@]1(N)C(=O)O Amb27221097 [1,0,0,1,0,0|1,0,1]=4 2640 B9R1.93 C=C[C@H]1C[C@]1(N)C(=O)O Amb25105090 [1,0,0,1,0,0|1,0,1]=4 2641 B9R1.93 CCC1CC1(N)C(=O)O Amb24655862 [1,0,0,1,0,0|1,0,1]=4 2642 B9R1.93 CC[C@@H]1CC1(N)C(=O)O Amb25104706 [1,0,0,1,0,0|1,0,1]=4 2643 B9R1.93 CC[C@@H]1C[C@@]1(N)C(=O)O Amb23452849 [1,0,0,1,0,0|1,0,1]=4 2644 B9R1.93 CC[C@H]1CC1(N)C(=O)O Amb26556180 [1,0,0,1,0,0|1,0,1]=4 2645 B9R1.93 CC[C@H]1C[C@]1(N)C(=O)O Amb27961471 [1,0,0,1,0,0|1,0,1]=4 2646 B9R1.95 O=C[C@H]1C[C@@H](C(=O)O)C1 Amb33309677 [1,0,0,1,0,0|2,0,0]=4 2647 B9R1.110 CC(C(=O)O)C1CCO1 Amb26595674 [1,0,0,1,0,0|1,0,1]=4 2648 B9R1.110 NC(C(=O)O)C1CCC1 Amb19149365 [1,0,0,1,0,0|1,0,1]=4 2649 B9R1.110 NC(C(=O)O)C1CNC1 Amb30040080 [1,0,0,1,0,0|2,0,0]=4 2650 B9R1.110 NC(C(=O)O)C1COC1 Amb22405987 [1,0,0,1,0,0|2,0,0]=4 2651 B9R1.110 NC(C(=O)O)C1CSC1 Amb27844776 [1,0,0,1,0,0|2,0,0]=4 2652 B9R1.110 N[C@@H](C(=O)O)C1CCC1 Amb8395977 [1,0,0,1,0,0|1,0,1]=4 2653 B9R1.110 N[C@@H](C(=O)O)C1COC1 Amb22737550 [1,0,0,1,0,0|2,0,0]=4 2654 B9R1.110 N[C@H](C(=O)O)C1CCC1 Amb30633821 [1,0,0,1,0,0|1,0,1]=4 2655 B9R1.110 N[C@H](C(=O)O)C1CCC1 Amb8395976 [1,0,0,1,0,0|1,0,1]=4 2656 B9R1.110 N[C@H](C(=O)O)C1COC1 Amb22737551 [1,0,0,1,0,0|2,0,0]=4 2657 B9R1.112 NC(CC1CC1)C(=O)O Amb23399727 [1,0,0,1,0,0|1,0,1]=4 2658 B9R1.112 NC(CC1CC1)C(=O)O Amb4019455 [1,0,0,1,0,0|1,0,1]=4 2659 B9R1.112 N[C@@H](CC1CC1)C(=O)O Amb24329024 [1,0,0,1,0,0|1,0,1]=4 2660 B9R1.112 N[C@@H](C[C@H]1CO1)C(=O)O Amb28252257 [1,0,0,1,0,0|2,0,0]=4 2661 B9R1.112 N[C@H](CC1CC1)C(=O)O Amb2699114 [1,0,0,1,0,0|1,0,1]=4 2662 B9R1.159 CC1CCC1(N)C(=O)O Amb23456072 [1,0,0,1,0,0|1,0,1]=4 2663 B9R1.159 C[C@@H]1CC[C@@]1(N)C(=O)O Amb26027352 [1,0,0,1,0,0|1,0,1]=4 2664 B9R1.159 C[C@@H]1CC[C@]1(N)C(=O)O Amb24586126 [1,0,0,1,0,0|1,0,1]=4 2665 B9R1.159 C[C@H]1CC[C@@]1(N)C(=O)O Amb28056437 [1,0,0,1,0,0|1,0,1]=4 2666 B9R1.163 CC(=O)C1(N)CCOC1 Amb24427660 [1,0,0,1,0,0|1,0,1]=4 2667 B9R1.163 CC1(C(=O)O)CC=CC1 Amb27882689 [1,0,0,1,0,0|2,0,0]=4 2668 B9R1.163 CC1(C(=O)O)CCOC1 Amb18280535 [1,0,0,1,0,0|1,0,1]=4 2669 B9R1.163 NC(=O)C1(N)CCOC1 Amb25835775 [1,0,0,1,0,0|1,0,1]=4 2670 B9R1.163 NC(=O)C1(N)CCOC1 Amb32708549 [1,0,0,1,0,0|1,0,1]=4 2671 B9R1.163 NC1(C(=O)O)CC=CC1 Amb2683267 [1,0,0,1,0,0|1,0,0]=3 2672 B9R1.163 NC1(C(=O)O)CCCC1 Amb1838882 [1,0,0,1,0,0|1,0,1]=4 2673 B9R1.163 NC1(C(=O)O)CCNC1 Amb8630265 [1,0,0,1,0,0|1,0,1]=4 2674 B9R1.163 NC1(C(=O)O)CCOC1 Amb16232669 [1,0,0,1,0,0|0,0,1]=3 2675 B9R1.163 NC1(C(=O)O)CCOC1 Amb22274600 [1,0,0,1,0,0|0,0,1]=3 2676 B9R1.163 NC1(C(=O)O)CCSC1 Amb9724111 [1,0,0,1,0,0|0,1,1]=4 2677 B9R1.163 N[C@@]1(C(=O)O)CCNC1 Amb6893795 [1,0,0,1,0,0|1,0,1]=4 2678 B9R1.163 N[C@@]1(C(=O)O)CCOC1 Amb20241211 [1,0,0,1,0,0|0,0,1]=3 2679 B9R1.163 N[C@@]1(C(=O)O)CCSC1 Amb27972704 [1,0,0,1,0,0|0,1,1]=4 2680 B9R1.163 N[C@]1(C(=O)O)CCNC1 Amb6893796 [1,0,0,1,0,0|1,0,1]=4 2681 B9R1.163 N[C@]1(C(=O)O)CCOC1 Amb20241209 [1,0,0,1,0,0|0,0,1]=3 2682 B9R1.163 O=C(O)C1(Cl)CCOC1 Amb33127967 [1,0,0,1,0,0|1,0,1]=4 2683 B9R1.163 O=C(O)C1(F)CC=CC1 Amb35789531 [1,0,0,1,0,0|2,0,0]=4 2684 B9R1.163 O=C(O)C1(F)CCOC1 Amb24420228 [1,0,0,1,0,0|1,0,1]=4 2685 B9R1.163 O=C(O)C1(O)CCOC1 Amb26332318 [1,0,0,1,0,0|1,0,1]=4 2686 B9R1.1 CCC1COC(=O)CN1 Amb27179683 [1,0,0,1,0,0|1,0,1]=4 2687 B9R1.1 O=C1COC(CO)CO1 Amb28315509 [1,0,0,1,0,0|1,0,1]=4 2688 B9R1.1 O=CC1CCC(=O)CC1 Amb8385725 [1,0,0,1,0,0|2,0,0]=4 2689 B9R1.82 CC(CO)C1CC(=O)O1 Amb28315511 [1,0,0,1,0,0|1,0,1]=4 2690 B9R1.82 C[C@@H](C=O)C1CC(=O)N1 Amb28184488 [1,0,0,1,0,0|2,0,0]=4 2691 B9R1.125 CC1(C=O)CCC(=O)C1 Amb28285173 [1,0,0,1,0,0|2,0,0]=4 2692 B9R1.125 CC1(CO)COC(=O)C1 Amb24748377 [1,0,0,1,0,0|1,0,1]=4 2693 B9R1.125 C[C@@]1(C=O)CCC(=O)C1 Amb27798280 [1,0,0,1,0,0|2,0,0]=4 2694 B9R1.133 CC1(C)NC(C=O)CO1 Amb27614244 [1,0,0,1,0,0|1,0,1]=4 2695 B9R1.133 CC1(C)N[C@@H](C=O)CO1 Amb27454967 [1,0,0,1,0,0|1,0,1]=4 2696 B9R1.53 C=C1CC(CC(=O)O)C1 Amb35788335 [1,0,0,1,0,0|2,0,0]=4 2697 B9R1.53 C=C1CC(OC(C)=O)C1 Amb34165437 [1,0,0,1,0,0|2,0,0]=4 2698 B9R1.53 CC(=O)CC1CC(=O)N1 Amb26593659 [1,0,0,1,0,0|2,0,0]=4 2699 B9R1.53 CC(=O)OC1CC(=O)C1 Amb21961279 [1,0,0,1,0,0|1,0,0]=3 2700 B9R1.53 CC(=O)OC1CC(=O)N1 Amb8383894 [1,0,0,1,0,0|1,0,0]=3 2701 B9R1.53 CC(=O)O[C@@H]1CC(=O)N1 Amb27961491 [1,0,0,1,0,0|1,0,0]=3 2702 B9R1.53 CC(=O)O[C@H]1C[C@@H](O)C1 Amb34156629 [1,0,0,1,0,0|1,0,1]=4 2703 B9R1.53 CC(=O)O[C@H]1C[C@H](O)C1 Amb25777769 [1,0,0,1,0,0|1,0,1]=4 2704 B9R1.53 CC(=O)SC1CC(=O)N1 Amb27225587 [1,0,0,1,0,0|1,1,0]=4 2705 B9R1.53 NC(=O)CC1CC(=O)N1 Amb27186130 [1,0,0,1,0,0|2,0,0]=4 2706 B9R1.53 O=C(O)CC1CC(=O)C1 Amb27493654 [1,0,0,1,0,0|1,0,0]=3 2707 B9R1.53 O=C(O)CC1CC(=O)N1 Amb24351879 [1,0,0,1,0,0|1,0,0]=3 2708 B9R1.66 CC1(O)CCOC(=O)C1 Amb2695275 [1,0,0,1,0,0|1,0,1]=4 2709 B9R1.66 C[C@@]1(O)CCOC(=O)C1 Amb22388612 [1,0,0,1,0,0|1,0,1]=4 2710 B9R1.85 O=C(O)CCOC1CC1 Amb25926315 [1,0,0,1,0,0|1,0,1]=4 2711 B9R1.161 C=C(C)C1CC1C(=O)O Amb25887453 [1,0,0,1,0,0|2,0,0]=4 2712 B9R1.161 C=C(C)[C@@H]1C[C@H]1C(=O)O Amb33199898 [1,0,0,1,0,0|2,0,0]=4 2713 B9R1.161 CC(=O)C1CC1C(C)=O Amb27861276 [1,0,0,1,0,0|2,0,0]=4 2714 B9R1.161 CC(=O)[C@@H]1C[C@H]1C(C)=O Amb28246517 [1,0,0,1,0,0|2,0,0]=4 2715 B9R1.161 CC(=O)[C@H]1C[C@H]1C(C)=O Amb28248083 [1,0,0,1,0,0|2,0,0]=4 2716 B9R1.161 NC(=O)C1CC1C(=O)O Amb17606123 [1,0,0,1,0,0|2,0,0]=4 2717 B9R1.161 NC(=O)[C@@H]1C[C@@H]1C(=O)O Amb24623178 [1,0,0,1,0,0|2,0,0]=4 2718 B9R1.161 NC(=O)[C@@H]1C[C@H]1C(=O)O Amb27447217 [1,0,0,1,0,0|2,0,0]=4 2719 B9R1.161 NC(=O)[C@H]1C[C@H]1C(=O)O Amb27436130 [1,0,0,1,0,0|2,0,0]=4 2720 B9R1.161 O=C(O)C1CC1C(=O)Cl Amb26959493 [1,0,0,1,0,0|2,0,0]=4 2721 B9R1.161 O=C(O)C1CC1C(=O)O Amb1350467 [1,0,0,1,0,0|2,0,0]=4 2722 B9R1.161 O=C(O)[C@@H]1C[C@H]1C(=O)O Amb22901897 [1,0,0,1,0,0|2,0,0]=4 2723 B9R1.161 O=C(O)[C@H]1C[C@@H]1C(=O)O Amb25979295 [1,0,0,1,0,0|2,0,0]=4 2724 B9R1.161 O=C(O)[C@H]1C[C@H]1C(=O)O Amb3442175 [1,0,0,1,0,0|2,0,0]=4 2725 B9R1.36 CC1(C)CC(N)C(=O)O1 Amb18124322 [0,0,0,1,1,0|1,0,1]=4 2726 B9R1.36 CC1(C)CC(N)C(=O)O1 Amb32674857 [0,0,0,1,1,0|1,0,1]=4 2727 B9R1.36 CC1(C)C[C@@H](N)C(=O)O1 Amb28196700 [0,0,0,1,1,0|1,0,1]=4 2728 B9R1.36 CC1(C)C[C@H](N)C(=O)O1 Amb24476611 [0,0,0,1,1,0|1,0,1]=4 2729 B9R1.152 C=C1CC(C)(C(=O)O)C1 Amb25887446 [0,0,0,1,1,0|2,0,0]=4 2730 B9R1.152 C=C1CC(N)(C(=O)O)C1 Amb34145346 [0,0,0,1,1,0|1,0,0]=3 2731 B9R1.152 C=C1CC(O)(C(=O)O)C1 Amb28201676 [0,0,0,1,1,0|2,0,0]=4 2732 B9R1.152 CC1(C(=O)O)CC(=O)C1 Amb22406208 [0,0,0,1,1,0|1,0,0]=3 2733 B9R1.152 CC1CC(N)(C(=O)O)C1 Amb25821754 [0,0,0,1,1,0|1,0,1]=4 2734 B9R1.152 CC1CC(N)(C(=O)O)C1 Amb30585229 [0,0,0,1,1,0|1,0,1]=4 2735 B9R1.152 CN1CC(N)(C(=O)O)C1 Amb28312895 [0,0,0,1,1,0|2,0,0]=4 2736 B9R1.152 NC1(C(=O)O)CC(F)C1 Amb26579071 [0,0,0,1,1,0|1,0,1]=4 2737 B9R1.152 NC1(C(=O)O)CC(F)C1 Amb30585191 [0,0,0,1,1,0|1,0,1]=4 2738 B9R1.152 NC1(C(=O)O)CC(O)C1 Amb26585144 [0,0,0,1,1,0|0,0,2]=4 2739 B9R1.152 NC1(C(=O)O)CC(O)C1 Amb28992378 [0,0,0,1,1,0|0,0,2]=4 2740 B9R1.152 N[C@]1(C(=O)O)C[C@@H](F)C1 Amb26959446 [0,0,0,1,1,0|1,0,1]=4 2741 B9R1.152 N[C@]1(C(=O)O)C[C@@H](F)C1 Amb32655998 [0,0,0,1,1,0|1,0,1]=4 2742 B9R1.152 N[C@]1(C(=O)O)C[C@H](F)C1 Amb22746505 [0,0,0,1,1,0|1,0,1]=4 2743 B9R1.152 N[C@]1(C(=O)O)C[C@H](O)C1 Amb25297893 [0,0,0,1,1,0|0,0,2]=4 2744 B9R1.152 N[C@]1(C(=O)O)C[C@H](O)C1 Amb32679390 [0,0,0,1,1,0|0,0,2]=4 2745 B9R1.152 O=C1CC(F)(C(=O)O)C1 Amb34136578 [0,0,0,1,1,0|1,0,0]=3 2746 B9R1.164 CC1(C)CC(C(=O)O)N1 Amb24117447 [0,0,0,1,1,0|1,0,1]=4 2747 B9R1.169 CC1(C)CC1(N)C(=O)O Amb35788491 [0,0,0,1,1,0|1,0,1]=4 2748 B9R1.169 CC1(C)CC1(N)C(=O)O Amb4296872 [0,0,0,1,1,0|1,0,1]=4 2749 B9R1.169 CC1(C)C[C@@]1(N)C(=O)O Amb4296946 [0,0,0,1,1,0|1,0,1]=4 2750 B11R1.20 CC1CNC(CC(=O)O)CO1 Amb27462541 [0,0,0,1,0,1|1,0,1]=4 2751 B11R1.20 O=C(O)CC1CCC(=O)CC1 Amb10607825 [0,0,0,1,0,1|2,0,0]=4 2752 B11R1.20 O=C(O)CC1CCC(=O)NC1 Amb18200019 [0,0,0,1,0,1|2,0,0]=4 2753 B11R1.20 O=C(O)CC1CNC(=O)CN1 Amb24655930 [0,0,0,1,0,1|1,0,0]=3 2754 B11R1.20 O=C(O)C[C@H]1CNC(=O)CN1 Amb27473255 [0,0,0,1,0,1|1,0,0]=3 2755 B11R1.75 CC(=O)CCC1=CC(=O)ON1 Amb27847260 [0,0,0,1,0,1|1,0,1]=4 2756 B11R1.75 CC(=O)OCC1CCC(=O)C1 Amb25821465 [0,0,0,1,0,1|2,0,0]=4 2757 B11R1.75 CC(=O)OCC1CCC(=O)N1 Amb24486136 [0,0,0,1,0,1|2,0,0]=4 2758 B11R1.75 CC(=O)OCC1CNC(=O)C1 Amb28436007 [0,0,0,1,0,1|2,0,0]=4 2759 B11R1.75 CC(=O)OCC1CNC(=O)O1 Amb28122349 [0,0,0,1,0,1|2,0,0]=4 2760 B11R1.75 CC(=O)OCC1COC(=O)N1 Amb27411851 [0,0,0,1,0,1|1,0,0]=3 2761 B11R1.75 CC(=O)OC[C@@H]1CCC(=O)C1 Amb27749663 [0,0,0,1,0,1|2,0,0]=4 2762 B11R1.75 NC(=O)OCC1COC(=O)O1 Amb28121041 [0,0,0,1,0,1|2,0,0]=4 2763 B11R1.167 CC1=CC[C@H](N)[C@H](C(=O)O)C1 Amb27645344 [0,0,0,1,0,1|2,0,0]=4 2764 B11R1.167 CC1CCC(=O)CC1C(=O)O Amb32867785 [0,0,0,1,0,1|2,0,0]=4 2765 B11R1.167 CC1CNC(=O)CC1C(=O)O Amb33099388 [0,0,0,1,0,1|2,0,0]=4 2766 B11R1.645 CC(=O)OC1CC(=O)NC1O Amb27950888 [0,0,0,1,0,1|2,0,0]=4 2767 B11R1.645 CC(=O)O[C@H]1CC(=O)NC1O Amb27455009 [0,0,0,1,0,1|2,0,0]=4 2768 B11R1.711 CC(=O)CCC1CC1C(=O)O Amb25384585 [0,0,0,1,0,1|2,0,0]=4 2769 B11R1.711 CC(=O)CC[C@@H]1C[C@@H]1C(=O)O Amb25384133 [0,0,0,1,0,1|2,0,0]=4 2770 B11R1.711 CC(=O)CC[C@H]1C[C@H]1C(=O)O Amb25383057 [0,0,0,1,0,1|2,0,0]=4 2771 B11R1.711 CC(=O)NCC1CC1C(=O)O Amb27872119 [0,0,0,1,0,1|2,0,0]=4 2772 B11R1.711 CC(=O)NC[C@@H]1C[C@@H]1C(=O)O Amb28244758 [0,0,0,1,0,1|2,0,0]=4 2773 B11R1.711 CC(=O)OC[C@@H]1C[C@H]1C(=O)O Amb26659372 [0,0,0,1,0,1|1,0,0]=3 2774 B11R1.711 CC(=O)OC[C@@H]1O[C@H]1C(N)=O Amb24764629 [0,0,0,1,0,1|2,0,0]=4 2775 B11R1.743 CC(=O)C1CC(CC(=O)O)C1 Amb25202475 [0,0,0,1,0,1|2,0,0]=4 2776 B11R1.1039 CC1CC(N)(CC(=O)O)CO1 Amb33254626 [0,0,0,1,0,1|1,0,1]=4 2777 B11R1.1039 NC1(CC(=O)O)CNC(=O)C1 Amb27634133 [0,0,0,1,0,1|1,0,0]=3 2778 B11R1.80 CC(=O)OC1=CC(=O)[C@@H](O)C1 Amb28381107 [0,0,0,1,0,1|2,0,0]=4 2779 B11R1.147 CC(=O)OCC1NC(=O)C1N Amb27794736 [0,0,0,1,0,1|1,0,0]=3 2780 B11R1.147 NC(=O)OCC1NC(=O)C1N Amb26372637 [0,0,0,1,0,1|2,0,0]=4 2781 B11R1.153 C=C1CN(CC(N)C(=O)O)C1 Amb35605522 [0,0,0,1,0,1|2,0,0]=4 2782 B11R1.175 CC(=O)C1CCC(C(=O)O)C1 Amb24373216 [0,0,0,1,0,1|2,0,0]=4 2783 B11R1.175 CC(=O)C1NC(C(=O)O)CS1 Amb27408644 [0,0,0,1,0,1|0,1,0]=3 2784 B11R1.175 CC(=O)N1CCC(C(=O)O)C1 Amb18949041 [0,0,0,1,0,1|2,0,0]=4 2785 B11R1.175 CC(=O)[C@@H]1CC[C@H](C(=O)O)C1 Amb28052085 [0,0,0,1,0,1|2,0,0]=4 2786 B11R1.175 CC(=O)[C@@H]1C[C@@H](C(=O)O)CO1 Amb27424004 [0,0,0,1,0,1|1,0,0]=3 2787 B11R1.175 CC(=O)[C@H]1CC[C@H](C(=O)O)C1 Amb28052084 [0,0,0,1,0,1|2,0,0]=4 2788 B11R1.175 CC(=O)[C@H]1C[C@@H](C(=O)O)CO1 Amb27221215 [0,0,0,1,0,1|1,0,0]=3 2789 B11R1.175 NC(=O)C1CCC(C(=O)O)N1 Amb27397702 [0,0,0,1,0,1|2,0,0]=4 2790 B11R1.175 NC(=O)[C@@H]1CC[C@@H](C(=O)O)N1 Amb23560427 [0,0,0,1,0,1|2,0,0]=4 2791 B11R1.175 NC(=O)[C@@H]1CC[C@H](C(=O)O)N1 Amb23560440 [0,0,0,1,0,1|2,0,0]=4 2792 B11R1.175 O=C(O)C1COC(C(=O)O)C1 Amb23454154 [0,0,0,1,0,1|2,0,0]=4 2793 B11R1.175 O=C(O)C1CSC(C(=O)O)N1 Amb16203736 [0,0,0,1,0,1|1,1,0]=4 2794 B11R1.175 O=C(O)[C@@H]1CC[C@@H](C(=O)O)N1 Amb25174831 [0,0,0,1,0,1|2,0,0]=4 2795 B11R1.175 O=C(O)[C@H]1CC[C@H](C(=O)O)N1 Amb27195626 [0,0,0,1,0,1|2,0,0]=4 2796 B11R1.314 CC(C(=O)O)C1CCC(=O)C1 Amb27596870 [0,0,0,1,0,1|2,0,0]=4 2797 B11R1.314 CC1=NOC(C(N)C(=O)O)C1 Amb28208323 [0,0,0,1,0,1|1,0,0]=3 2798 B11R1.314 CC1=NO[C@@H]([C@@H](N)C(=O)O)C1 Amb27444666 [0,0,0,1,0,1|1,0,0]=3 2799 B11R1.314 CC1CC(C(N)C(=O)O)CO1 Amb35660772 [0,0,0,1,0,1|1,0,1]=4 2800 B11R1.314 Cc1cc(C(N)C(=O)O)no1 Amb24487921 [0,0,0,1,0,1|1,0,1]=4 2801 B11R1.314 Cc1cc(C(N)C(=O)O)on1 Amb18200262 [0,0,0,1,0,1|1,0,1]=4 2802 B11R1.314 NC(=O)C(N)C1CCC(=O)C1 Amb27159565 [0,0,0,1,0,1|2,0,0]=4 2803 B11R1.314 NC(C(=O)O)C1=CC(=O)NO1 Amb18511893 [0,0,0,1,0,1|0,0,2]=4 2804 B11R1.314 NC(C(=O)O)C1CCC(=O)C1 Amb27828292 [0,0,0,1,0,1|1,0,0]=3 2805 B11R1.314 NC(C(=O)O)C1CCC(=O)O1 Amb27955898 [0,0,0,1,0,1|2,0,0]=4 2806 B11R1.314 NC(C(=O)O)C1CN=C(Cl)C1 Amb28281848 [0,0,0,1,0,1|2,0,0]=4 2807 B11R1.314 N[C@@H](C(=O)O)C1=CC(=O)NO1 Amb28187285 [0,0,0,1,0,1|0,0,2]=4 2808 B11R1.314 N[C@@H](C(=O)O)C1CCC(=O)C1 Amb25148224 [0,0,0,1,0,1|1,0,0]=3 2809 B11R1.314 N[C@@H](C(=O)O)[C@H]1CC(Cl)=NO1 Amb25950676 [0,0,0,1,0,1|1,0,0]=3 2810 B11R1.314 N[C@H](C(=O)O)C1CC(Cl)=NO1 Amb27945443 [0,0,0,1,0,1|1,0,0]=3 2811 B11R1.314 N[C@H](C(=O)O)C1CCC(=O)C1 Amb26955070 [0,0,0,1,0,1|1,0,0]=3 2812 B11R1.314 N[C@H](C(=O)O)[C@@H]1CC(Cl)=NO1 Amb17607699 [0,0,0,1,0,1|1,0,0]=3 2813 B11R1.314 N[C@H](C(=O)O)[C@H]1CC(Cl)=NO1 Amb27659251 [0,0,0,1,0,1|1,0,0]=3 2814 B11R1.314 O=C1OC[C@H]([C@@H](O)C(=O)O)O1 Amb27966811 [0,0,0,1,0,1|2,0,0]=4 2815 B11R1.333 NC(CCOC1CC1)C(=O)O Amb33036851 [0,0,0,1,0,1|1,0,1]=4 2816 B11R1.333 NC(COCC1CC1)C(=O)O Amb18177625 [0,0,0,1,0,1|1,0,1]=4 2817 B11R1.333 N[C@@H](CCOC1CC1)C(=O)O Amb33036882 [0,0,0,1,0,1|1,0,1]=4 2818 B11R1.333 N[C@@H](COCC1CC1)C(=O)O Amb33036937 [0,0,0,1,0,1|1,0,1]=4 2819 B11R1.333 N[C@H](CCOC1CC1)C(=O)O Amb32864910 [0,0,0,1,0,1|1,0,1]=4 2820 B11R1.333 N[C@H](COCC1CC1)C(=O)O Amb33036519 [0,0,0,1,0,1|1,0,1]=4 2821 B11R1.565 O=C1CCC(C(=O)O)CCN1 Amb24488196 [0,0,0,1,0,1|2,0,0]=4 2822 B11R1.565 O=C1CCC(C(=O)O)CCO1 Amb22001721 [0,0,0,1,0,1|1,0,0]=3 2823 B11R1.565 O=C1CCC(C(=O)O)CNN1 Amb27427640 [0,0,0,1,0,1|2,0,0]=4 2824 B11R1.565 O=C1CCCC(C(=O)O)CC1 Amb23399610 [0,0,0,1,0,1|2,0,0]=4 2825 B11R1.667 CC1(C(=O)O)CC=CC(=O)C1 Amb17593844 [0,0,0,1,0,1|2,0,0]=4 2826 B11R1.667 CC1(C(=O)O)CCNC(=O)C1 Amb32668817 [0,0,0,1,0,1|2,0,0]=4 2827 B11R1.667 CC1CC(N)(C(=O)O)CCO1 Amb26893175 [0,0,0,1,0,1|1,0,1]=4 2828 B11R1.667 CC1CC(N)(C(=O)O)CCO1 Amb30584653 [0,0,0,1,0,1|1,0,1]=4 2829 B11R1.667 C[C@@]1(C(=O)O)CCCC(=O)C1 Amb25138624 [0,0,0,1,0,1|2,0,0]=4 2830 B11R1.667 NC1(C(=O)O)CCCC(=O)C1 Amb23560233 [0,0,0,1,0,1|1,0,0]=3 2831 B11R1.704 CC(=O)[C@@H]1C[C@H]1C(N)C(=O)O Amb27467898 [0,0,0,1,0,1|1,0,0]=3 2832 B11R1.704 NC(C(=O)O)C1CC1C(=O)O Amb24447417 [0,0,0,1,0,1|2,0,0]=4 2833 B11R1.704 NC(C(=O)O)[C@@H]1C[C@@H]1C(=O)O Amb27878614 [0,0,0,1,0,1|2,0,0]=4 2834 B11R1.704 N[C@@H](C(=O)O)C1CC1C(=O)O Amb27772027 [0,0,0,1,0,1|2,0,0]=4 2835 B11R1.704 N[C@H](C(=O)O)[C@@H]1C[C@@H]1C(=O)O Amb22352678 [0,0,0,1,0,1|2,0,0]=4 2836 B11R1.704 N[C@H](C(=O)O)[C@H]1C[C@@H]1C(=O)O Amb19930360 [0,0,0,1,0,1|2,0,0]=4 2837 B11R1.704 N[C@H](C(=O)O)[C@H]1C[C@H]1C(=O)O Amb22388556 [0,0,0,1,0,1|2,0,0]=4 2838 B11R1.723 CC(=O)C1CCC1(C)C(=O)O Amb25858072 [0,0,0,1,0,1|2,0,0]=4 2839 B11R1.723 CC(=O)[C@@H]1CC[C@]1(C)C(=O)O Amb27409379 [0,0,0,1,0,1|2,0,0]=4 2840 B11R1.723 CC(=O)[C@H]1CC[C@@]1(C)C(=O)O Amb27781464 [0,0,0,1,0,1|2,0,0]=4 2841 B11R1.723 NC1(C(=O)O)CCC1C(=O)O Amb24381448 [0,0,0,1,0,1|2,0,0]=4 2842 B11R1.730 CC1(C)COCC(C(=O)O)N1 Amb28653017 [0,0,0,1,0,1|1,0,1]=4 2843 B11R1.927 NC1(C(=O)O)CC1CC(=O)O Amb26493344 [0,0,0,1,0,1|2,0,0]=4 2844 B11R1.927 NC1(C(=O)O)CC1CC(=O)O Amb32665933 [0,0,0,1,0,1|2,0,0]=4 2845 B11R1.927 N[C@@]1(C(=O)O)C[C@H]1CC(=O)O Amb25179270 [0,0,0,1,0,1|2,0,0]=4 2846 B11R1.1386 CC1(C)COCC1(N)C(=O)O Amb27944406 [0,0,0,1,0,1|1,0,1]=4 2847 B11R1.1386 CC1(C)OCCC1(N)C(=O)O Amb27822912 [0,0,0,1,0,1|1,0,1]=4 2848 B11R1.141 CC(=O)OC(C)C1CNC1=O Amb27791657 [0,1,0,1,0,0|2,0,0]=4 2849 B11R1.149 C=C1CC1C(C)C(N)C(=O)O Amb25916404 [0,1,0,1,0,0|2,0,0]=4 2850 B11R1.166 C=C1CC[C@@H](C(=O)O)[C@@H](N)C1 Amb28056027 [0,1,0,1,0,0|2,0,0]=4 2851 B11R1.166 CC1=CCC(C(=O)O)N(C)C1 Amb8011553 [0,1,0,1,0,0|2,0,0]=4 2852 B11R1.166 CC1CC(=O)CCC1C(=O)O Amb18125961 [0,1,0,1,0,0|2,0,0]=4 2853 B11R1.166 CC1CC(=O)NCC1C(=O)O Amb25149101 [0,1,0,1,0,0|2,0,0]=4 2854 B11R1.166 CC1CNC(C(=O)O)C(C)O1 Amb25238030 [0,1,0,1,0,0|1,0,1]=4 2855 B11R1.166 CC1CNC(C(=O)O)C(C)O1 Amb28652973 [0,1,0,1,0,0|1,0,1]=4 2856 B11R1.166 C[C@@H]1CC(=O)CC[C@H]1C(=O)O Amb24511958 [0,1,0,1,0,0|2,0,0]=4 2857 B11R1.166 C[C@H]1CC(=O)CC[C@H]1C(=O)O Amb24571688 [0,1,0,1,0,0|2,0,0]=4 2858 B11R1.313 NC1C(=O)NOC1CC(=O)O Amb27643083 [0,1,0,1,0,0|2,0,0]=4 2859 B11R1.325 CC1OC(=O)CC(C)(O)C1N Amb28250730 [0,1,0,1,0,0|1,0,1]=4 2860 B11R1.488 C[C@H]1OC(C)(C)N[C@@H]1C(=O)O Amb33804202 [0,1,0,1,0,0|1,0,1]=4 2861 B11R1.494 CC1COC(=O)CC(C)C1=O Amb27802579 [0,1,0,1,0,0|2,0,0]=4 2862 B11R1.519 CN1[C@@H](C(=O)O)C[C@@H]1C(=O)O Amb25295430 [0,1,0,1,0,0|2,0,0]=4 2863 B11R1.519 CN1[C@H](C(=O)O)C[C@H]1C(=O)O Amb28052125 [0,1,0,1,0,0|2,0,0]=4 2864 B11R1.672 CC(=O)C1OC(=O)C(O)C1O Amb28074805 [0,1,0,1,0,0|2,0,0]=4 2865 B11R1.708 CC(=O)OC1CCC1C(N)=O Amb27876221 [0,1,0,1,0,0|2,0,0]=4 2866 B11R1.708 CC(=O)SC1CCC1C(=O)O Amb27201581 [0,1,0,1,0,0|1,1,0]=4 2867 B11R1.708 O=C(O)CC1CNC1C(=O)O Amb28384932 [0,1,0,1,0,0|2,0,0]=4 2868 B11R1.708 O=C(O)C[C@@H]1CN[C@H]1C(=O)O Amb19131121 [0,1,0,1,0,0|2,0,0]=4 2869 B11R1.708 O=C(O)C[C@H]1CN[C@H]1C(=O)O Amb27863455 [0,1,0,1,0,0|2,0,0]=4 2870 B11R1.1106 NC(C(=O)O)C1CS(=O)(=O)C1 Amb24610746 [0,1,0,1,0,0|2,0,0]=4 2871 B11R1.220 CC(=O)C1(C)COC(=O)OC1 Amb27630064 [0,1,0,1,0,0|2,0,0]=4 2872 B11R1.220 CC1(C(=O)O)CCC(=O)CC1 Amb22227990 [0,1,0,1,0,0|2,0,0]=4 2873 B11R1.220 CC1(C(=O)O)CCC(=O)NC1 Amb28284956 [0,1,0,1,0,0|2,0,0]=4 2874 B11R1.220 CC1(C(=O)O)COC(=O)OC1 Amb26866279 [0,1,0,1,0,0|1,0,0]=3 2875 B11R1.220 CC1(C(=O)O)COS(=O)OC1 Amb27875085 [0,1,0,1,0,0|2,0,0]=4 2876 B11R1.220 CC1(C(N)=O)CNC(=O)CN1 Amb27962658 [0,1,0,1,0,0|2,0,0]=4 2877 B11R1.220 CC1CCC(N)(C(=O)O)CO1 Amb35694652 [0,1,0,1,0,0|1,0,1]=4 2878 B11R1.220 NC(=O)C1(N)CCC(=O)NC1 Amb27440634 [0,1,0,1,0,0|2,0,0]=4 2879 B11R1.220 NC1(C(=O)O)CCC(=O)CC1 Amb16183881 [0,1,0,1,0,0|1,0,0]=3 2880 B11R1.220 NC1(C(=O)O)CCS(=O)CC1 Amb28250020 [0,1,0,1,0,0|2,0,0]=4 2881 B11R1.220 O=C1CCC(F)(C(=O)O)CC1 Amb24533003 [0,1,0,1,0,0|2,0,0]=4 2882 B11R1.220 O=C1CCC(O)(C(=O)O)CC1 Amb27467622 [0,1,0,1,0,0|2,0,0]=4 2883 B11R1.738 NC1(C(=O)O)CCS(=O)(=O)C1 Amb24452282 [0,1,0,1,0,0|2,0,0]=4 2884 B11R1.738 NC1(C(=O)O)CCS(=O)(=O)C1 Amb32652429 [0,1,0,1,0,0|2,0,0]=4 2885 B11R1.1389 CC(=O)N1CC(O)(C(=O)O)C1 Amb26493207 [0,1,0,1,0,0|2,0,0]=4 2886 B11R1.1389 NC1(C(=O)O)CC(C(=O)O)C1 Amb23592289 [0,1,0,1,0,0|2,0,0]=4 2887 B11R1.1389 NC1(C(=O)O)CC(C(=O)O)C1 Amb35745792 [0,1,0,1,0,0|2,0,0]=4 2888 B11R1.1389 N[C@]1(C(=O)O)C[C@@H](C(=O)O)C1 Amb24468408 [0,1,0,1,0,0|2,0,0]=4 2889 B11R1.1389 N[C@]1(C(=O)O)C[C@H](C(=O)O)C1 Amb19297840 [0,1,0,1,0,0|2,0,0]=4 2890 B11R1.1391 CC(=O)CCC1(C(=O)O)CC1 Amb27990274 [0,1,0,1,0,0|2,0,0]=4 2891 B11R1.1391 CC(=O)NCC1(C(=O)O)CC1 Amb23441145 [0,1,0,1,0,0|2,0,0]=4 2892 B11R1.1391 CC(=O)OCC1(C(C)=O)CO1 Amb24766976 [0,1,0,1,0,0|2,0,0]=4 2893 B11R1.22 COC(=O)C1CC=C(F)CN1 Amb27945428 [0,1,0,1,0,0|2,0,0]=4 2894 B11R1.22 COC(=O)C1CCC(=O)CC1 Amb4477304 [0,1,0,1,0,0|2,0,0]=4 2895 B11R1.22 COC(=O)C1CCC(=O)CO1 Amb24569287 [0,1,0,1,0,0|2,0,0]=4 2896 B11R1.22 COC(=O)C1CCC(=O)NC1 Amb19957331 [0,1,0,1,0,0|2,0,0]=4 2897 B11R1.22 COC(=O)C1CCC(=O)SC1 Amb27445750 [0,1,0,1,0,0|1,1,0]=4 2898 B11R1.22 COC(=O)C1CNC(=O)CN1 Amb24419888 [0,1,0,1,0,0|1,0,0]=3 2899 B11R1.22 COC(=O)C1CNC(=O)OC1 Amb27199734 [0,1,0,1,0,0|2,0,0]=4 2900 B11R1.22 COC(=O)[C@@H]1CCC(=O)NC1 Amb27633633 [0,1,0,1,0,0|2,0,0]=4 2901 B11R1.22 COC(=O)[C@@H]1CNC(=O)CN1 Amb10608895 [0,1,0,1,0,0|1,0,0]=3 2902 B11R1.22 COC(=O)[C@@H]1CO[C@@H](C)CN1 Amb33749504 [0,1,0,1,0,0|1,0,1]=4 2903 B11R1.22 COC(=O)[C@H]1CCC(=O)NC1 Amb27965494 [0,1,0,1,0,0|2,0,0]=4 2904 B11R1.48 CCC1CC(C(C)=O)OC1=O Amb28121700 [0,1,0,1,0,0|2,0,0]=4 2905 B11R1.90 CC(=O)OCC1CCCC1=O Amb25990779 [0,1,0,1,0,0|2,0,0]=4 2906 B11R1.90 CC(=O)OC[C@@H]1CCCC1=O Amb28382804 [0,1,0,1,0,0|2,0,0]=4 2907 B11R1.90 NC(=O)CC[C@@H]1NCOC1=O Amb28255565 [0,1,0,1,0,0|2,0,0]=4 2908 B11R1.296 COC(=O)C(N)C1CC(=O)N1 Amb28368665 [0,1,0,1,0,0|1,0,0]=3 2909 B11R1.849 COC(=O)C1CC1NC(C)=O Amb27782147 [0,1,0,1,0,0|2,0,0]=4 2910 B11R1.849 COC(=O)[C@@H]1C[C@@H]1OC(C)=O Amb25383234 [0,1,0,1,0,0|1,0,0]=3 2911 B11R1.853 COC(=O)C1CC(C(=O)O)C1 Amb22504357 [0,1,0,1,0,0|2,0,0]=4 2912 B11R1.853 COC(=O)C1CC(C(=O)O)N1 Amb27176562 [0,1,0,1,0,0|1,0,0]=3 2913 B11R1.853 COC(=O)C1CC(C(C)=O)C1 Amb25069415 [0,1,0,1,0,0|2,0,0]=4 2914 B11R1.853 COC(=O)C1CN(C(C)=O)C1 Amb21865555 [0,1,0,1,0,0|2,0,0]=4 2915 B11R1.853 COC(=O)[C@H]1C[C@@H](C(=O)O)C1 Amb7970124 [0,1,0,1,0,0|2,0,0]=4 2916 B11R1.853 COC(=O)[C@H]1C[C@@H](C(C)=O)C1 Amb28074663 [0,1,0,1,0,0|2,0,0]=4 2917 B11R1.853 COC(=O)[C@H]1C[C@H](C(=O)O)C1 Amb26446375 [0,1,0,1,0,0|2,0,0]=4 2918 B11R1.866 COC(=O)C1COC(C)(C)N1 Amb26004984 [0,1,0,1,0,0|1,0,1]=4 2919 B11R1.866 COC(=O)C1COC(C)(O)N1 Amb27780160 [0,1,0,1,0,0|0,0,2]=4 2920 B11R1.866 COC(=O)[C@@H]1COC(C)(C)N1 Amb26880278 [0,1,0,1,0,0|1,0,1]=4 2921 B11R1.866 COC(=O)[C@@H]1COS(=O)(=O)N1 Amb33078540 [0,1,0,1,0,0|2,0,0]=4 2922 B11R1.885 COC(=O)C1(C)CCC(=O)C1 Amb23454224 [0,1,0,1,0,0|2,0,0]=4 2923 B11R1.885 COC(=O)C1(C)COC(=O)O1 Amb28069494 [0,1,0,1,0,0|2,0,0]=4 2924 B11R1.885 COC(=O)C1(N)COC(C)C1 Amb30010993 [0,1,0,1,0,0|1,0,1]=4 2925 B11R1.885 COC(=O)[C@]1(C)COC(=O)N1 Amb28239527 [0,1,0,1,0,0|2,0,0]=4 2926 B11R1.3 CCC1CNC(C(=O)O)CO1 Amb28188774 [0,1,0,1,0,0|1,0,1]=4 2927 B11R1.3 N#CC1CNC(C(=O)O)CO1 Amb27448518 [0,1,0,1,0,0|1,0,1]=4 2928 B11R1.3 O=CC1=CNC(C(=O)O)CC1 Amb33735075 [0,1,0,1,0,0|1,0,1]=4 2929 B11R1.142 NC(=O)C(N)CN1CCC1=O Amb28051750 [0,1,0,1,0,0|2,0,0]=4 2930 B11R1.226 COC(=O)C1CC(O)C(=O)O1 Amb27605255 [0,1,0,1,0,0|2,0,0]=4 2931 B11R1.226 COC(=O)[C@@H]1C[C@H](O)C(=O)O1 Amb26922301 [0,1,0,1,0,0|2,0,0]=4 2932 B11R1.226 COC(=O)[C@H]1C[C@@H](N)C(=O)N1 Amb28051811 [0,1,0,1,0,0|2,0,0]=4 2933 B11R1.226 COC(=O)[C@H]1C[C@@H](O)C(=O)O1 Amb28249106 [0,1,0,1,0,0|2,0,0]=4 2934 B11R1.226 COC(=O)[C@H]1C[C@H](N)C(=O)N1 Amb27202006 [0,1,0,1,0,0|2,0,0]=4 2935 B11R1.332 NC(COC1CCC1)C(=O)O Amb18792070 [0,1,0,1,0,0|1,0,1]=4 2936 B11R1.332 NC(COC1COC1)C(=O)O Amb27269341 [0,1,0,1,0,0|0,0,2]=4 2937 B11R1.868 CCC(=O)[C@@H]1C[C@@]1(C)C(=O)O Amb27440410 [0,1,0,1,0,0|2,0,0]=4 2938 B11R1.868 COC(=O)C1CC1(C)C(=O)O Amb27617493 [0,1,0,1,0,0|2,0,0]=4 2939 B11R1.868 COC(=O)[C@@H]1C[C@]1(C)C(=O)O Amb32680275 [0,1,0,1,0,0|2,0,0]=4 2940 B11R1.1229 CCC1CC(N)(C(=O)O)CO1 Amb35626631 [0,1,0,1,0,0|1,0,1]=4 2941 B11R1.1270 CC1OCC(N)(C(=O)O)C1C Amb35730991 [0,1,0,1,0,0|1,0,1]=4 2942 B11R1.1270 CN1C(=O)CCC1(C)C(=O)O Amb23515115 [0,1,0,1,0,0|2,0,0]=4 2943 B11R1.1270 CN1C(=O)CC[C@@]1(O)C(=O)O Amb27260856 [0,1,0,1,0,0|2,0,0]=4 2944 B11R1.62 C=C[C@@H]1C(=O)N[C@H]1OC(C)=O Amb27855501 [0,1,0,1,0,0|2,0,0]=4 2945 B11R1.62 CC[C@H]1C(=O)NC1OC(C)=O Amb27851216 [0,1,0,1,0,0|2,0,0]=4 2946 B11R1.62 CC[C@H]1C(=O)N[C@H]1OC(C)=O Amb27841323 [0,1,0,1,0,0|2,0,0]=4 2947 B11R1.416 CCC1(C(=O)O)CNC(=O)C1 Amb25848400 [0,1,0,1,0,0|2,0,0]=4 2948 B11R1.416 CNC1(C(=O)O)COC(C)C1 Amb30010994 [0,1,0,1,0,0|1,0,1]=4 2949 B11R1.416 NCC1(C(=O)O)CCC(=O)O1 Amb25060776 [0,1,0,1,0,0|2,0,0]=4 2950 B11R1.727 CC1(C)CNC(C(=O)O)CO1 Amb10608911 [0,1,0,1,0,0|1,0,1]=4 2951 B11R1.727 CC1(C)CNC(C(=O)O)CO1 Amb19889803 [0,1,0,1,0,0|1,0,1]=4 2952 B11R1.727 CC1(C)CN[C@@H](C(=O)O)CO1 Amb25207391 [0,1,0,1,0,0|1,0,1]=4 2953 B11R1.727 CC1(C)CN[C@@H](C(=O)O)CO1 Amb31291605 [0,1,0,1,0,0|1,0,1]=4 2954 B11R1.727 CC1(C)CN[C@H](C(=O)O)CO1 Amb19889802 [0,1,0,1,0,0|1,0,1]=4 2955 B11R1.727 CC1(C)CN[C@H](C(=O)O)CO1 Amb25111013 [0,1,0,1,0,0|1,0,1]=4 2956 B11R1.727 O=C(O)C1CCS(=O)(=O)CN1 Amb33299374 [0,1,0,1,0,0|2,0,0]=4 2957 B11R1.727 O=C(O)C1CCS(=O)(=O)CN1 Amb33482835 [0,1,0,1,0,0|2,0,0]=4 2958 B11R1.733 CS(=O)(=O)C1CC1(N)C(=O)O Amb23454401 [0,1,0,1,0,0|2,0,0]=4 2959 B11R1.487 CN1CC(C)(C(=O)O)CC1=O Amb27172290 [0,1,0,1,0,0|2,0,0]=4 2960 B11R1.487 C[C@]1(C(=O)O)C[C@H](N)C(=O)O1 Amb28246029 [0,1,0,1,0,0|2,0,0]=4 2961 B11R2.1839 O=C(O)C12COC(CN1)C2 Amb34152470 [0,0,0,2,0,0|1,0,1]=4 2962 B11R2.62 N[C@@]12CO[C@@H](COC1=O)C2 Amb28347055 [0,0,0,2,0,0|1,0,1]=4 2963 B11R2.62 N[C@]12CO[C@H](COC1=O)C2 Amb27800294 [0,0,0,2,0,0|1,0,1]=4 2964 B11R2.411 O=C1CC2(C(=O)O)CC2N1 Amb27753264 [0,0,0,2,0,0|2,0,0]=4 2965 B7R0.2 C=C(C)CC(C)C=O Amb18641711 [1,0,0,0,1,0|2,0,0]=4 2966 B7R0.2 C=C(C)CC(N)CO Amb24665584 [1,0,0,0,1,0|1,0,1]=4 2967 B7R0.2 C=C(C)C[C@H](N)CO Amb27633094 [1,0,0,0,1,0|1,0,1]=4 2968 B7R0.2 C=CC(C)CC(C)=O Amb27759897 [1,0,0,0,1,0|2,0,0]=4 2969 B7R0.2 C=CC(C)OC(C)=O Amb4016456 [1,0,0,0,1,0|2,0,0]=4 2970 B7R0.2 C=CC(N)CC(=O)O Amb22641963 [1,0,0,0,1,0|2,0,0]=4 2971 B7R0.2 C=CC(N)CC(=O)O Amb31307621 [1,0,0,0,1,0|2,0,0]=4 2972 B7R0.2 C=C[C@@H](N)CC(=O)O Amb28315938 [1,0,0,0,1,0|2,0,0]=4 2973 B7R0.2 CC(=O)CC(N)CO Amb27240210 [1,0,0,0,1,0|0,0,1]=3 2974 B7R0.2 CC(=O)C[C@@H](C)C=O Amb27470883 [1,0,0,0,1,0|1,0,0]=3 2975 B7R0.2 CC(=O)C[C@H](C)C=O Amb24379584 [1,0,0,0,1,0|1,0,0]=3 2976 B7R0.2 CC(=O)C[C@H](O)CO Amb28316148 [1,0,0,0,1,0|1,0,1]=4 2977 B7R0.2 CC(=O)N[C@H](C)C=O Amb27838347 [1,0,0,0,1,0|2,0,0]=4 2978 B7R0.2 CC(=O)OC(C)C=O Amb18641863 [1,0,0,0,1,0|1,0,0]=3 2979 B7R0.2 CC(=O)O[C@H](C)C=O Amb28422009 [1,0,0,0,1,0|1,0,0]=3 2980 B7R0.2 CC(C)C[C@H](N)C=O Amb26851754 [1,0,0,0,1,0|1,0,1]=4 2981 B7R0.2 CCC(N)CC(C)=O Amb18631696 [1,0,0,0,1,0|1,0,1]=4 2982 B7R0.2 CCC(N)CC(C)=O Amb26895708 [1,0,0,0,1,0|1,0,1]=4 2983 B7R0.2 NC(C=O)CC(=O)O Amb27669608 [1,0,0,0,1,0|1,0,0]=3 2984 B7R0.2 N[C@@H](CO)CC(=O)O Amb16184020 [1,0,0,0,1,0|1,0,1]=4 2985 B7R0.2 N[C@@H](CO)CC(=O)O Amb22388520 [1,0,0,0,1,0|1,0,1]=4 2986 B7R0.2 N[C@H](C=O)CC(=O)O Amb28428447 [1,0,0,0,1,0|1,0,0]=3 2987 B7R0.2 N[C@H](CO)CC(=O)O Amb2694944 [1,0,0,0,1,0|1,0,1]=4 2988 B7R0.16 C=C(Br)C(N)C(=O)O Amb28193255 [0,0,0,0,2,0|1,0,1]=4 2989 B7R0.16 C=C(C)C(C)C(=O)O Amb18641781 [0,0,0,0,2,0|2,0,0]=4 2990 B7R0.16 C=C(C)C(N)C(=C)O Amb27762325 [0,0,0,0,2,0|2,0,0]=4 2991 B7R0.16 C=C(C)C(N)C(=O)O Amb18641831 [0,0,0,0,2,0|1,0,0]=3 2992 B7R0.16 C=C(C)C(O)C(=O)O Amb27859701 [0,0,0,0,2,0|2,0,0]=4 2993 B7R0.16 C=C(C)[C@@H](N)C(=O)O Amb26012631 [0,0,0,0,2,0|1,0,0]=3 2994 B7R0.16 C=C(C)[C@@H](O)C(=O)O Amb28071409 [0,0,0,0,2,0|2,0,0]=4 2995 B7R0.16 CC(=O)C(=O)C(=O)O Amb24101563 [0,0,0,0,2,0|1,0,1]=4 2996 B7R0.16 CC(=O)C(Br)C(C)=O Amb22000680 [0,0,0,0,2,0|2,0,0]=4 2997 B7R0.16 CC(=O)C(C)C(=O)Cl Amb27971652 [0,0,0,0,2,0|2,0,0]=4 2998 B7R0.16 CC(=O)C(C)C(C)=O Amb1152249 [0,0,0,0,2,0|2,0,0]=4 2999 B7R0.16 CC(=O)C(Cl)C(C)=O Amb3940505 [0,0,0,0,2,0|2,0,0]=4 3000 B7R0.16 CC(=O)C(N)C(=O)O Amb21962887 [0,0,0,0,2,0|0,0,0]=2 3001 B7R0.16 CC(=O)C(N)C(C)=O Amb18632931 [0,0,0,0,2,0|1,0,0]=3 3002 B7R0.16 CC(=O)C(N)C(C)=O Amb6893881 [0,0,0,0,2,0|1,0,0]=3 3003 B7R0.16 CC(=O)C(O)C(C)=O Amb28048968 [0,0,0,0,2,0|2,0,0]=4 3004 B7R0.16 CC(=O)\C(N)=C(/C)O Amb26452525 [0,0,0,0,2,0|1,0,1]=4 3005 B7R0.16 CC(=S)C(S)C(=O)O Amb27791825 [0,0,0,0,2,0|1,1,0]=4 3006 B7R0.16 CC(C(=O)O)C(=O)O Amb6600127 [0,0,0,0,2,0|2,0,0]=4 3007 B7R0.16 CC(C(N)=O)C(=O)O Amb27401562 [0,0,0,0,2,0|2,0,0]=4 3008 B7R0.16 CC(C)C(N)C(=O)O Amb5718386 [0,0,0,0,2,0|1,0,1]=4 3009 B7R0.16 CC(C)[C@@H](N)C(=O)O Amb2720566 [0,0,0,0,2,0|1,0,1]=4 3010 B7R0.16 CC(C)[C@H](N)C(=O)O Amb2725465 [0,0,0,0,2,0|1,0,1]=4 3011 B7R0.16 CC(F)C(N)C(=O)O Amb10838661 [0,0,0,0,2,0|1,0,1]=4 3012 B7R0.16 CC(F)C(N)C(=O)O Amb32752736 [0,0,0,0,2,0|1,0,1]=4 3013 B7R0.16 CC(F)[C@@H](N)C(=O)O Amb28316197 [0,0,0,0,2,0|1,0,1]=4 3014 B7R0.16 CC(N)C(N)C(=O)O Amb22728051 [0,0,0,0,2,0|1,0,1]=4 3015 B7R0.16 CC(N)[C@H](N)C(=O)O Amb25083113 [0,0,0,0,2,0|1,0,1]=4 3016 B7R0.16 CC(N)[C@H](N)C(=O)O Amb33740158 [0,0,0,0,2,0|1,0,1]=4 3017 B7R0.16 CC(O)C(N)C(=O)O Amb32665460 [0,0,0,0,2,0|0,0,2]=4 3018 B7R0.16 CC(O)C(N)C(=O)O Amb9703096 [0,0,0,0,2,0|0,0,2]=4 3019 B7R0.16 CC(S)C(N)C(=O)O Amb17593434 [0,0,0,0,2,0|0,1,1]=4 3020 B7R0.16 CC(S)[C@@H](N)C(=O)O Amb24606864 [0,0,0,0,2,0|0,1,1]=4 3021 B7R0.16 C[C@@H](F)[C@@H](N)C(=O)O Amb28286576 [0,0,0,0,2,0|1,0,1]=4 3022 B7R0.16 C[C@@H](F)[C@@H](N)C(=O)O Amb32668519 [0,0,0,0,2,0|1,0,1]=4 3023 B7R0.16 C[C@@H](N)[C@H](N)C(=O)O Amb22745441 [0,0,0,0,2,0|1,0,1]=4 3024 B7R0.16 C[C@@H](N)[C@H](N)C(=O)O Amb24481409 [0,0,0,0,2,0|1,0,1]=4 3025 B7R0.16 C[C@@H](O)C(N)C(=O)O Amb26397429 [0,0,0,0,2,0|0,0,2]=4 3026 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O Amb8514159 [0,0,0,0,2,0|0,0,2]=4 3027 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O Amb22351168 [0,0,0,0,2,0|0,0,2]=4 3028 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O Amb33623705 [0,0,0,0,2,0|0,0,2]=4 3029 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O Amb6599999 [0,0,0,0,2,0|0,0,2]=4 3030 B7R0.16 C[C@@H](S)[C@H](N)C(=O)O Amb24117242 [0,0,0,0,2,0|0,1,1]=4 3031 B7R0.16 C[C@H](N)[C@H](N)C(=O)O Amb17678797 [0,0,0,0,2,0|1,0,1]=4 3032 B7R0.16 C[C@H](N)[C@H](N)C(=O)O Amb26887696 [0,0,0,0,2,0|1,0,1]=4 3033 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O Amb6297293 [0,0,0,0,2,0|0,0,2]=4 3034 B7R0.16 C[C@H](O)[C@H](N)C(=O)O Amb32663639 [0,0,0,0,2,0|0,0,2]=4 3035 B7R0.16 C[C@H](O)[C@H](N)C(=O)O Amb8514158 [0,0,0,0,2,0|0,0,2]=4 3036 B7R0.16 C[PH](=O)C(O)C(=O)O Amb34916646 [0,0,0,0,2,0|2,0,0]=4 3037 B7R0.16 C\C(O)=C(\N)C(=O)O Amb27191761 [0,0,0,0,2,0|0,0,2]=4 3038 B7R0.16 NC(=O)C(N)C(N)=O Amb518675 [0,0,0,0,2,0|2,0,0]=4 3039 B7R0.16 NC(=O)[C@H](N)C(=O)O Amb28397054 [0,0,0,0,2,0|1,0,0]=3 3040 B7R0.16 NC(C(=O)O)C(=O)O Amb10603956 [0,0,0,0,2,0|1,0,0]=3 3041 B7R0.16 N[C@@H](C(=O)O)S(=O)O Amb28125643 [0,0,0,0,2,0|2,0,0]=4 3042 B7R0.16 O=C(O)C(Br)C(=O)O Amb17594708 [0,0,0,0,2,0|2,0,0]=4 3043 B7R0.16 O=C(O)C(F)C(=O)O Amb24055884 [0,0,0,0,2,0|2,0,0]=4 3044 B7R0.16 O=C(O)C(O)C(=O)O Amb1215315 [0,0,0,0,2,0|2,0,0]=4 3045 B7R0.16 O=C(O)C(S)C(=O)O Amb28346986 [0,0,0,0,2,0|2,0,0]=4 3046 B9R0.4 C=CCCC(N)CC(=O)O Amb22641959 [1,0,0,0,0,1|1,0,1]=4 3047 B9R0.4 C=CCCC(N)CC(=O)O Amb31307612 [1,0,0,0,0,1|1,0,1]=4 3048 B9R0.4 C=CCC[C@H](N)CC(=O)O Amb10066917 [1,0,0,0,0,1|1,0,1]=4 3049 B9R0.4 CC(CCC=O)CC(=O)O Amb28251065 [1,0,0,0,0,1|2,0,0]=4 3050 B9R0.4 CCCCC(N)CC(=O)O Amb1993866 [1,0,0,0,0,1|1,0,1]=4 3051 B9R0.4 CCCCC(N)CC(=O)O Amb31307613 [1,0,0,0,0,1|1,0,1]=4 3052 B9R0.4 CCCC[C@@H](N)CC(=O)O Amb26612752 [1,0,0,0,0,1|1,0,1]=4 3053 B9R0.4 CCCC[C@@H](N)CC(=O)O Amb32663769 [1,0,0,0,0,1|1,0,1]=4 3054 B9R0.4 CCCC[C@H](N)CC(=O)O Amb27154618 [1,0,0,0,0,1|1,0,1]=4 3055 B9R0.4 CCOCC(O)CC(=O)O Amb28340917 [1,0,0,0,0,1|1,0,1]=4 3056 B9R0.4 CCSCC(N)CC(=O)O Amb27233388 [1,0,0,0,0,1|0,1,1]=4 3057 B9R0.4 CNCC[C@@H](N)CC(=O)O Amb24117036 [1,0,0,0,0,1|2,0,0]=4 3058 B9R0.4 COCCC(N)CC(=O)O Amb32687893 [1,0,0,0,0,1|2,0,0]=4 3059 B9R0.4 CSCCC(N)CC(=O)O Amb22353181 [1,0,0,0,0,1|2,0,0]=4 3060 B9R0.4 CSCCC(N)CC(=O)O Amb30666600 [1,0,0,0,0,1|2,0,0]=4 3061 B9R0.4 CSCC[C@@H](N)CC(=O)O Amb26930581 [1,0,0,0,0,1|2,0,0]=4 3062 B9R0.4 CSCC[C@H](N)CC(=O)O Amb16184019 [1,0,0,0,0,1|2,0,0]=4 3063 B9R0.4 C[C@@H](CCC=O)CC(=O)O Amb27614920 [1,0,0,0,0,1|2,0,0]=4 3064 B9R0.4 C\C=C/C[C@@H](O)CC(=O)O Amb28050083 [1,0,0,0,0,1|2,0,0]=4 3065 B9R0.55 C=C(C)CCOCC(C)=O Amb28318908 [1,0,0,0,0,1|2,0,0]=4 3066 B9R0.55 C=C(C)CCONC(C)=O Amb28072263 [1,0,0,0,0,1|2,0,0]=4 3067 B9R0.55 C=C(C)COCCC(=O)O Amb27882463 [1,0,0,0,0,1|1,0,0]=3 3068 B9R0.55 C=C(C)CONCC(=O)O Amb27969663 [1,0,0,0,0,1|2,0,0]=4 3069 B9R0.55 C=C(F)CCCOC(C)=O Amb22641472 [1,0,0,0,0,1|2,0,0]=4 3070 B9R0.55 CC(=O)C#CCOC(C)=O Amb27615142 [1,0,0,0,0,1|1,0,1]=4 3071 B9R0.55 CC(=O)CCCCC(=O)O Amb3939946 [1,0,0,0,0,1|1,0,0]=3 3072 B9R0.55 CC(=O)CCCCC(C)=O Amb17593600 [1,0,0,0,0,1|2,0,0]=4 3073 B9R0.55 CC(=O)CCCNC(C)=O Amb28194645 [1,0,0,0,0,1|2,0,0]=4 3074 B9R0.55 CC(=O)CCCOC(C)=O Amb1033031 [1,0,0,0,0,1|1,0,0]=3 3075 B9R0.55 CC(=O)CCNCC(=O)O Amb32675828 [1,0,0,0,0,1|1,0,0]=3 3076 B9R0.55 CC(=O)CCOCC(=O)O Amb27241199 [1,0,0,0,0,1|1,0,0]=3 3077 B9R0.55 CC(=O)CCSCC(=O)O Amb24443138 [1,0,0,0,0,1|1,0,0]=3 3078 B9R0.55 CC(=O)CC\C=C\C(=O)O Amb17593589 [1,0,0,0,0,1|1,0,1]=4 3079 B9R0.55 CC(=O)NCCCC(=O)O Amb2778749 [1,0,0,0,0,1|1,0,0]=3 3080 B9R0.55 CC(=O)NCCNC(C)=O Amb2522644 [1,0,0,0,0,1|2,0,0]=4 3081 B9R0.55 CC(=O)NCCOC(C)=O Amb2781669 [1,0,0,0,0,1|1,0,0]=3 3082 B9R0.55 CC(=O)NC\C=C\C(=O)O Amb27259093 [1,0,0,0,0,1|1,0,1]=4 3083 B9R0.55 CC(=O)NOCCC(=O)O Amb27252126 [1,0,0,0,0,1|0,0,0]=2 3084 B9R0.55 CC(=O)OCC#CC(=O)O Amb28411497 [1,0,0,0,0,1|0,0,1]=3 3085 B9R0.55 CC(=O)OCCC=C(F)F Amb21954269 [1,0,0,0,0,1|2,0,0]=4 3086 B9R0.55 CC(=O)OCCCC(=O)O Amb24480808 [1,0,0,0,0,1|0,0,0]=2 3087 B9R0.55 CC(=O)OCCCS(=O)Cl Amb32720405 [1,0,0,0,0,1|2,0,0]=4 3088 B9R0.55 CC(=O)OCCCS(=O)[O-] Amb32754824 [1,0,0,0,0,1|1,0,1]=4 3089 B9R0.55 CC(=O)OCCCS(N)=O Amb32720406 [1,0,0,0,0,1|2,0,0]=4 3090 B9R0.55 CC(=O)OCCC[C@@H](C)O Amb27775430 [1,0,0,0,0,1|1,0,1]=4 3091 B9R0.55 CC(=O)OCCOC(=N)N Amb27768866 [1,0,0,0,0,1|2,0,0]=4 3092 B9R0.55 CC(=O)OCCOC(C)=O Amb8513772 [1,0,0,0,0,1|1,0,0]=3 3093 B9R0.55 CC(=O)OCCOC(N)=O Amb27168669 [1,0,0,0,0,1|1,0,0]=3 3094 B9R0.55 CC(=O)OC\C=C\C(=O)O Amb24454652 [1,0,0,0,0,1|0,0,1]=3 3095 B9R0.55 CC(=O)SCCCC(=O)O Amb26356321 [1,0,0,0,0,1|0,1,0]=3 3096 B9R0.55 CC(Br)COCCC(=O)O Amb28255646 [1,0,0,0,0,1|1,0,1]=4 3097 B9R0.55 CC(C)=CCOCC(=O)O Amb18644115 [1,0,0,0,0,1|2,0,0]=4 3098 B9R0.55 CC(C)=NOCCC(=O)O Amb27596064 [1,0,0,0,0,1|1,0,0]=3 3099 B9R0.55 CC(C)COCCC(=O)O Amb6280020 [1,0,0,0,0,1|1,0,1]=4 3100 B9R0.55 CC(C)OCCCC(=O)O Amb6274334 [1,0,0,0,0,1|1,0,1]=4 3101 B9R0.55 CC(C)OCOCC(=O)O Amb26370232 [1,0,0,0,0,1|1,0,1]=4 3102 B9R0.55 CC(C)OCSCC(=O)O Amb28241661 [1,0,0,0,0,1|1,0,1]=4 3103 B9R0.55 CS(=O)CCCCC(=O)O Amb18788305 [1,0,0,0,0,1|2,0,0]=4 3104 B9R0.55 CS(=O)CCSCC(=O)O Amb27236300 [1,0,0,0,0,1|2,0,0]=4 3105 B9R0.55 C\C(Br)=C/CCCC(=O)O Amb27798317 [1,0,0,0,0,1|2,0,0]=4 3106 B9R0.55 C\C(Cl)=C/CSCC(=O)O Amb27865640 [1,0,0,0,0,1|2,0,0]=4 3107 B9R0.55 NC(=O)CCCCC(=O)O Amb9391119 [1,0,0,0,0,1|2,0,0]=4 3108 B9R0.55 NC(=O)CONCC(=O)O Amb27215866 [1,0,0,0,0,1|2,0,0]=4 3109 B9R0.55 NC(=O)CSCCC(=O)O Amb6664956 [1,0,0,0,0,1|1,1,0]=4 3110 B9R0.55 NC(=O)NCCCC(=O)O Amb1104859 [1,0,0,0,0,1|2,0,0]=4 3111 B9R0.55 NC(=O)NCNCC(=O)O Amb27446531 [1,0,0,0,0,1|2,0,0]=4 3112 B9R0.55 O=C(Cl)OCCOC(=O)Cl Amb22337529 [1,0,0,0,0,1|2,0,0]=4 3113 B9R0.55 O=C(O)C#CCCC(=O)O Amb28050167 [1,0,0,0,0,1|2,0,0]=4 3114 B9R0.55 O=C(O)CCCCC(=O)Cl Amb27614847 [1,0,0,0,0,1|2,0,0]=4 3115 B9R0.55 O=C(O)CCCCC(=O)O Amb22167453 [1,0,0,0,0,1|2,0,0]=4 3116 B9R0.55 O=C(O)CCCCC(=O)O Amb22336279 [1,0,0,0,0,1|2,0,0]=4 3117 B9R0.55 O=C(O)CCCCC(=O)O Amb2793031 [1,0,0,0,0,1|2,0,0]=4 3118 B9R0.55 O=C(O)CCNCC(=O)O Amb18098292 [1,0,0,0,0,1|2,0,0]=4 3119 B9R0.55 O=C(O)\C=C\CCC(=O)O Amb20622952 [1,0,0,0,0,1|2,0,0]=4 3120 B11R0.6 CC(=O)OCCC(C)OC(C)=O Amb4016478 [0,0,0,0,0,2|2,0,0]=4 3121 B11R0.85 CC(=O)OCC(O)COC(C)=O Amb10807490 [0,0,0,0,0,2|2,0,0]=4 3122 B11R0.85 CC(C)OCC(N)CCC(=O)O Amb33274850 [0,0,0,0,0,2|1,0,1]=4 3123 B11R0.85 NC(CCC(=O)O)CCC(=O)O Amb32664379 [0,0,0,0,0,2|2,0,0]=4 3124 B11R0.85 NC(CCC(=O)O)CCC(=O)O Amb33473618 [0,0,0,0,0,2|2,0,0]=4 3125 B11R0.29 CC(=O)CCCCC(N)C(=O)O Amb33065945 [0,0,0,0,0,2|1,0,0]=3 3126 B11R0.29 CC(=O)CCCCC(N)C(N)=O Amb33308578 [0,0,0,0,0,2|2,0,0]=4 3127 B11R0.29 CC(=O)CCCC[C@@H](N)C(=O)O Amb33066091 [0,0,0,0,0,2|1,0,0]=3 3128 B11R0.29 CC(=O)CCCC[C@H](N)C(=O)O Amb33037049 [0,0,0,0,0,2|1,0,0]=3 3129 B11R0.29 CC(=O)NCCNC(C)C(=O)O Amb33068968 [0,0,0,0,0,2|2,0,0]=4 3130 B11R0.29 CC(=O)NCCNC(C)C(=O)O Amb9326973 [0,0,0,0,0,2|2,0,0]=4 3131 B11R0.29 CC(=O)NCSCC(N)C(=O)O Amb30623754 [0,0,0,0,0,2|0,1,0]=3 3132 B11R0.29 CC(=O)NCSC[C@@H](N)C(=O)O Amb22745261 [0,0,0,0,0,2|0,1,0]=3 3133 B11R0.29 CC(=O)NCSC[C@@H](N)C(=O)O Amb23438964 [0,0,0,0,0,2|0,1,0]=3 3134 B11R0.29 CC(=O)NCSC[C@H](N)C(=O)O Amb22349445 [0,0,0,0,0,2|0,1,0]=3 3135 B11R0.29 CC(C)=CCSCC(N)C(=O)O Amb9726238 [0,0,0,0,0,2|1,1,0]=4 3136 B11R0.29 CC(C)=CCSC[C@H](N)C(=O)O Amb30584848 [0,0,0,0,0,2|1,1,0]=4 3137 B11R0.29 CC(C)COCCC(N)C(=O)O Amb18790631 [0,0,0,0,0,2|1,0,1]=4 3138 B11R0.29 CC(C)COCC[C@@H](N)C(=O)O Amb32867930 [0,0,0,0,0,2|1,0,1]=4 3139 B11R0.29 CC(C)COCC[C@H](N)C(=O)O Amb33308723 [0,0,0,0,0,2|1,0,1]=4 3140 B11R0.29 CC(C)OCCCC(N)C(=O)O Amb33036640 [0,0,0,0,0,2|1,0,1]=4 3141 B11R0.29 CC(C)OCCC[C@@H](N)C(=O)O Amb33308958 [0,0,0,0,0,2|1,0,1]=4 3142 B11R0.29 CC(C)OCCC[C@H](N)C(=O)O Amb33127511 [0,0,0,0,0,2|1,0,1]=4 3143 B11R0.29 N=C(N)NOCCC(N)C(=O)O Amb22261558 [0,0,0,0,0,2|2,0,0]=4 3144 B11R0.29 NC(=O)NCCCC(N)C(=O)O Amb3499394 [0,0,0,0,0,2|2,0,0]=4 3145 B11R0.29 NC(=O)NCCC[C@@H](N)C(=O)O Amb8629519 [0,0,0,0,0,2|2,0,0]=4 3146 B11R0.29 NC(=O)NCCC[C@H](N)C(=O)O Amb22169596 [0,0,0,0,0,2|2,0,0]=4 3147 B11R0.29 NC(=O)NCCC[C@H](N)C(=O)O Amb2718751 [0,0,0,0,0,2|2,0,0]=4 3148 B11R0.29 NC(CCCCC(=O)O)C(=O)O Amb2760482 [0,0,0,0,0,2|2,0,0]=4 3149 B11R0.29 NC(CCSCC(=O)O)C(=O)O Amb32660941 [0,0,0,0,0,2|1,1,0]=4 3150 B11R0.29 NC(CCSCC(=O)O)C(=O)O Amb33552542 [0,0,0,0,0,2|1,1,0]=4 3151 B11R0.29 NC(CC\C=C\C(=O)O)C(=O)O Amb32686887 [0,0,0,0,0,2|2,0,0]=4 3152 B11R0.29 NC(CC\C=C\C(=O)O)C(=O)O Amb33470155 [0,0,0,0,0,2|2,0,0]=4 3153 B11R0.29 N[C@@H](CCCCC(=O)O)C(=O)O Amb22746360 [0,0,0,0,0,2|2,0,0]=4