0 B9R0.7 C=C(Br)CNC(C)C(=O)O Amb18303282 [0,0,0,0,0,0|4,0,0]=4 1 B9R0.7 C=C(Br)CN[C@@H](C)C(=O)O Amb27174841 [0,0,0,0,0,0|4,0,0]=4 2 B9R0.7 C=C(C)C(C)CCC(=O)O Amb27254117 [0,0,0,0,0,0|3,0,0]=3 3 B9R0.7 C=C(C)C(N)CCC(=O)O Amb33199957 [0,0,0,0,0,0|2,0,0]=2 4 B9R0.7 C=C(C)CCC(=C)C(=O)O Amb28047421 [0,0,0,0,0,0|3,0,1]=4 5 B9R0.7 C=C(C)CCC(C)C(=O)O Amb25809141 [0,0,0,0,0,0|3,0,0]=3 6 B9R0.7 C=C(C)CCC(C)C(C)=O Amb27753284 [0,0,0,0,0,0|4,0,0]=4 7 B9R0.7 C=C(C)CCC(N)C(=O)O Amb28121242 [0,0,0,0,0,0|2,0,0]=2 8 B9R0.7 C=C(C)CCC(N)C(N)=O Amb27188568 [0,0,0,0,0,0|3,0,0]=3 9 B9R0.7 C=C(C)CCC(O)C(=O)O Amb27436256 [0,0,0,0,0,0|3,0,0]=3 10 B9R0.7 C=C(C)CC[C@@H](N)C(=O)O Amb25775219 [0,0,0,0,0,0|2,0,0]=2 11 B9R0.7 C=C(C)CC[C@H](N)C(=O)O Amb25948355 [0,0,0,0,0,0|2,0,0]=2 12 B9R0.7 C=C(C)CSC(C)C(=O)O Amb6263518 [0,0,0,0,0,0|4,0,0]=4 13 B9R0.7 C=C(C)[C@@H](C)CCC(C)=O Amb24583145 [0,0,0,0,0,0|4,0,0]=4 14 B9R0.7 C=C(CCC(=O)O)C(=O)O Amb8391367 [0,0,0,0,0,0|1,0,1]=2 15 B9R0.7 C=C(CCC(=O)O)C(C)=O Amb27814984 [0,0,0,0,0,0|2,0,1]=3 16 B9R0.7 C=C(CCC(C)=O)C(C)=O Amb25303019 [0,0,0,0,0,0|3,0,1]=4 17 B9R0.7 C=C(Cl)CCC(N)C(=O)O Amb27424777 [0,0,0,0,0,0|2,0,0]=2 18 B9R0.7 C=C(F)C(N)CCC(=O)O Amb27849938 [0,0,0,0,0,0|2,0,0]=2 19 B9R0.7 CC(=C=CC(=O)O)C(=O)O Amb17593578 [0,0,0,0,0,0|1,0,3]=4 20 B9R0.7 CC(=N)N(C)CCC(=O)O Amb27242469 [0,0,0,0,0,0|4,0,0]=4 21 B9R0.7 CC(=O)C(=O)NCC(=O)O Amb17593639 [0,0,0,0,0,0|3,0,1]=4 22 B9R0.7 CC(=O)C(=O)OCC(=O)O Amb28126708 [0,0,0,0,0,0|3,0,1]=4 23 B9R0.7 CC(=O)C(C)CCC(=O)O Amb4020917 [0,0,0,0,0,0|2,0,0]=2 24 B9R0.7 CC(=O)C(C)CCC(C)O Amb27823560 [0,0,0,0,0,0|3,0,1]=4 25 B9R0.7 CC(=O)C(C)CCC(N)=O Amb25843826 [0,0,0,0,0,0|3,0,0]=3 26 B9R0.7 CC(=O)C(C)CCS(C)=O Amb27783563 [0,0,0,0,0,0|4,0,0]=4 27 B9R0.7 CC(=O)C(C)SCC(N)=O Amb28206699 [0,0,0,0,0,0|4,0,0]=4 28 B9R0.7 CC(=O)C(F)CCC(=O)O Amb27620074 [0,0,0,0,0,0|2,0,0]=2 29 B9R0.7 CC(=O)C(N)CCC(=O)O Amb27875288 [0,0,0,0,0,0|1,0,0]=1 30 B9R0.7 CC(=O)C(O)CCC(=O)O Amb27826305 [0,0,0,0,0,0|2,0,0]=2 31 B9R0.7 CC(=O)CCC(=O)C(C)=O Amb25852390 [0,0,0,0,0,0|3,0,1]=4 32 B9R0.7 CC(=O)CCC(C)C(C)O Amb27838958 [0,0,0,0,0,0|3,0,1]=4 33 B9R0.7 CC(=O)CCC(Cl)C(C)=O Amb27444965 [0,0,0,0,0,0|3,0,0]=3 34 B9R0.7 CC(=O)CCC(N)C(=O)O Amb20669473 [0,0,0,0,0,0|1,0,0]=1 35 B9R0.7 CC(=O)CCC(N)C(=O)O Amb22157242 [0,0,0,0,0,0|1,0,0]=1 36 B9R0.7 CC(=O)CCC(N)C(N)=O Amb26649117 [0,0,0,0,0,0|2,0,0]=2 37 B9R0.7 CC(=O)CC[C@@H](C)[C@@H](C)O Amb25984868 [0,0,0,0,0,0|3,0,1]=4 38 B9R0.7 CC(=O)CC[C@@H](N)C(=O)O Amb26516732 [0,0,0,0,0,0|1,0,0]=1 39 B9R0.7 CC(=O)CC[C@H](C)[C@@H](C)O Amb22747043 [0,0,0,0,0,0|3,0,1]=4 40 B9R0.7 CC(=O)CC[C@H](N)C(=O)O Amb25147501 [0,0,0,0,0,0|1,0,0]=1 41 B9R0.7 CC(=O)CNC(=O)C(=O)O Amb24480846 [0,0,0,0,0,0|3,0,1]=4 42 B9R0.7 CC(=O)CSC(C)C(=O)O Amb17501621 [0,0,0,0,0,0|3,0,0]=3 43 B9R0.7 CC(=O)CSC(C)C(N)=O Amb27949123 [0,0,0,0,0,0|4,0,0]=4 44 B9R0.7 CC(=O)N(C)CCC(=O)O Amb2691290 [0,0,0,0,0,0|3,0,0]=3 45 B9R0.7 CC(=O)N(O)CCC(=O)O Amb28050128 [0,0,0,0,0,0|3,0,0]=3 46 B9R0.7 CC(=O)NCC(N)C(=O)O Amb26046380 [0,0,0,0,0,0|2,0,0]=2 47 B9R0.7 CC(=O)NC[C@H](C)C(=O)O Amb27472985 [0,0,0,0,0,0|3,0,0]=3 48 B9R0.7 CC(=O)OCC(C)C(=O)O Amb28050166 [0,0,0,0,0,0|3,0,0]=3 49 B9R0.7 CC(=O)OCC(C)C(C)=O Amb27471984 [0,0,0,0,0,0|4,0,0]=4 50 B9R0.7 CC(=O)OCC(N)C(=O)O Amb17593668 [0,0,0,0,0,0|2,0,0]=2 51 B9R0.7 CC(=O)OC[C@@H](N)C(=O)O Amb2699176 [0,0,0,0,0,0|2,0,0]=2 52 B9R0.7 CC(=O)OC[C@@H]([NH3+])C(=O)O Amb3499386 [0,0,0,0,0,0|2,0,1]=3 53 B9R0.7 CC(=O)OC[C@H](C)C(=O)O Amb28340504 [0,0,0,0,0,0|3,0,0]=3 54 B9R0.7 CC(=O)OC[C@H](C)C(C)=O Amb28049898 [0,0,0,0,0,0|4,0,0]=4 55 B9R0.7 CC(=O)OC[C@H](N)C(=O)O Amb2778750 [0,0,0,0,0,0|2,0,0]=2 56 B9R0.7 CC(=O)OC[C@H](N)C(=O)O Amb33757552 [0,0,0,0,0,0|2,0,0]=2 57 B9R0.7 CC(=O)ONC(C)C(=O)O Amb27765574 [0,0,0,0,0,0|4,0,0]=4 58 B9R0.7 CC(=O)SCC(C)C(=O)O Amb2732386 [0,0,0,0,0,0|3,0,0]=3 59 B9R0.7 CC(=O)SCC(C)C(N)=O Amb22586594 [0,0,0,0,0,0|4,0,0]=4 60 B9R0.7 CC(=O)SCC(Cl)C(=O)Cl Amb28247162 [0,0,0,0,0,0|4,0,0]=4 61 B9R0.7 CC(=O)SCC(N)C(=O)O Amb22490452 [0,0,0,0,0,0|2,0,0]=2 62 B9R0.7 CC(=O)SCC(O)C(=O)O Amb31030973 [0,0,0,0,0,0|3,0,0]=3 63 B9R0.7 CC(=O)SC[C@@H](C)C(=O)Cl Amb26641827 [0,0,0,0,0,0|4,0,0]=4 64 B9R0.7 CC(=O)SC[C@@H](C)C(=O)O Amb8628177 [0,0,0,0,0,0|3,0,0]=3 65 B9R0.7 CC(=O)SC[C@H](C)C(=O)Cl Amb25230202 [0,0,0,0,0,0|4,0,0]=4 66 B9R0.7 CC(=O)[C@H](C)CCC(=O)O Amb24671283 [0,0,0,0,0,0|2,0,0]=2 67 B9R0.7 CC(C)=CCC(C)C(=O)O Amb18643879 [0,0,0,0,0,0|3,0,1]=4 68 B9R0.7 CC(C)=CCC(N)C(=O)O Amb6276273 [0,0,0,0,0,0|2,0,1]=3 69 B9R0.7 CC(C)=CCC(N)C(N)=O Amb24697159 [0,0,0,0,0,0|3,0,1]=4 70 B9R0.7 CC(C)=CC[C@@H](N)C(=O)O Amb27254062 [0,0,0,0,0,0|2,0,1]=3 71 B9R0.7 CC(C)=CC[C@H](N)C(=O)O Amb25836895 [0,0,0,0,0,0|2,0,1]=3 72 B9R0.7 CC(C)C(N)CCC(=O)O Amb18124745 [0,0,0,0,0,0|2,0,1]=3 73 B9R0.7 CC(C)C(O)CCC(=O)O Amb25252592 [0,0,0,0,0,0|3,0,1]=4 74 B9R0.7 CC(C)CCC(Br)C(=O)O Amb18131059 [0,0,0,0,0,0|3,0,1]=4 75 B9R0.7 CC(C)CCC(C)C(=O)O Amb19033547 [0,0,0,0,0,0|3,0,1]=4 76 B9R0.7 CC(C)CCC(F)C(=O)O Amb26612835 [0,0,0,0,0,0|3,0,1]=4 77 B9R0.7 CC(C)CCC(N)C(=O)Cl Amb27396445 [0,0,0,0,0,0|3,0,1]=4 78 B9R0.7 CC(C)CCC(N)C(=O)O Amb19269152 [0,0,0,0,0,0|2,0,1]=3 79 B9R0.7 CC(C)CCC(N)C(=O)O Amb6269218 [0,0,0,0,0,0|2,0,1]=3 80 B9R0.7 CC(C)CCC(N)C(N)=O Amb27424766 [0,0,0,0,0,0|3,0,1]=4 81 B9R0.7 CC(C)CCC(O)C(=O)O Amb27788603 [0,0,0,0,0,0|3,0,1]=4 82 B9R0.7 CC(C)CC[C@@H](C)C(=O)O Amb26983027 [0,0,0,0,0,0|3,0,1]=4 83 B9R0.7 CC(C)CC[C@@H](N)C(=O)O Amb19133196 [0,0,0,0,0,0|2,0,1]=3 84 B9R0.7 CC(C)CC[C@@H](N)C(=O)O Amb22899130 [0,0,0,0,0,0|2,0,1]=3 85 B9R0.7 CC(C)CC[C@H](C)C(=O)O Amb27227250 [0,0,0,0,0,0|3,0,1]=4 86 B9R0.7 CC(C)CC[C@H](N)C(=O)O Amb16183866 [0,0,0,0,0,0|2,0,1]=3 87 B9R0.7 CC(C)CC[C@H](N)C(=O)O Amb33339290 [0,0,0,0,0,0|2,0,1]=3 88 B9R0.7 CC(C)OCC(N)C(=O)O Amb25956723 [0,0,0,0,0,0|3,0,1]=4 89 B9R0.7 CC(C)OCC(N)C(=O)O Amb32665467 [0,0,0,0,0,0|3,0,1]=4 90 B9R0.7 CC(C)OC[C@@H](N)C(=O)O Amb24479342 [0,0,0,0,0,0|3,0,1]=4 91 B9R0.7 CC(C)OC[C@H](N)C(=O)O Amb26960408 [0,0,0,0,0,0|3,0,1]=4 92 B9R0.7 CC(C)OC[C@H](N)C(=O)O Amb32664966 [0,0,0,0,0,0|3,0,1]=4 93 B9R0.7 CC(C)SCC(N)C(=O)O Amb6273927 [0,0,0,0,0,0|3,0,1]=4 94 B9R0.7 CC(C)[C@@H](O)CCC(=O)O Amb28314215 [0,0,0,0,0,0|3,0,1]=4 95 B9R0.7 CC(CCC(=O)O)C(=O)O Amb6296609 [0,0,0,0,0,0|1,0,0]=1 96 B9R0.7 CC(CCC(=O)O)N(C)C Amb32654401 [0,0,0,0,0,0|4,0,0]=4 97 B9R0.7 CC(CCC(=O)O)N(C)C Amb8010013 [0,0,0,0,0,0|4,0,0]=4 98 B9R0.7 CC(CCC(F)F)C(=O)O Amb32672190 [0,0,0,0,0,0|3,0,1]=4 99 B9R0.7 CC(CCN(C)C)C(=O)O Amb26502003 [0,0,0,0,0,0|4,0,0]=4 100 B9R0.7 CC(CCN(C)C)C(=O)O Amb32675008 [0,0,0,0,0,0|4,0,0]=4 101 B9R0.7 CC(CCS(C)=O)C(=O)O Amb27237254 [0,0,0,0,0,0|3,0,0]=3 102 B9R0.7 CC(CC[N+](=O)[O-])C(=O)O Amb27425087 [0,0,0,0,0,0|2,0,1]=3 103 B9R0.7 CC(CNC(=N)N)C(=O)O Amb28050103 [0,0,0,0,0,0|4,0,0]=4 104 B9R0.7 CC(CNC(N)=O)C(=O)O Amb18298054 [0,0,0,0,0,0|3,0,0]=3 105 B9R0.7 CC(CSC(=N)N)C(=O)O Amb27392409 [0,0,0,0,0,0|4,0,0]=4 106 B9R0.7 CC(F)C(N)CCC(=O)O Amb27207659 [0,0,0,0,0,0|2,0,1]=3 107 B9R0.7 CC(N)C(O)CCC(=O)O Amb27881667 [0,0,0,0,0,0|3,0,1]=4 108 B9R0.7 CC(N)CCC(O)C(=O)O Amb28436655 [0,0,0,0,0,0|3,0,1]=4 109 B9R0.7 CC(NCC(=O)O)C(=O)O Amb26506272 [0,0,0,0,0,0|2,0,0]=2 110 B9R0.7 CC(NCC(=O)O)C(=O)O Amb3427836 [0,0,0,0,0,0|2,0,0]=2 111 B9R0.7 CC(NCC(=O)O)C(N)=O Amb9285399 [0,0,0,0,0,0|3,0,0]=3 112 B9R0.7 CC(NC[C@@H](C)O)C(=O)O Amb27617222 [0,0,0,0,0,0|3,0,1]=4 113 B9R0.7 CC(NC[C@H](C)O)C(=O)O Amb27248684 [0,0,0,0,0,0|3,0,1]=4 114 B9R0.7 CC(NNC(N)=O)C(=O)O Amb26391983 [0,0,0,0,0,0|4,0,0]=4 115 B9R0.7 CC(O)C(C)CCC(=O)O Amb27424805 [0,0,0,0,0,0|2,0,1]=3 116 B9R0.7 CC(O)C(C)NCC(=O)O Amb27444950 [0,0,0,0,0,0|3,0,1]=4 117 B9R0.7 CC(O)C(O)CCC(N)=O Amb28146727 [0,0,0,0,0,0|3,0,1]=4 118 B9R0.7 CC(O)CCC(=O)C(=O)O Amb27799217 [0,0,0,0,0,0|2,0,2]=4 119 B9R0.7 CC(O)CCC(N)C(=O)O Amb26598749 [0,0,0,0,0,0|1,0,1]=2 120 B9R0.7 CC(O)CCC(N)C(N)=O Amb33036759 [0,0,0,0,0,0|2,0,1]=3 121 B9R0.7 CC(O)CC[C@@H](N)C(=O)O Amb28126862 [0,0,0,0,0,0|1,0,1]=2 122 B9R0.7 CC(O)CC[C@H](N)C(=O)O Amb26346481 [0,0,0,0,0,0|1,0,1]=2 123 B9R0.7 CC(O)CNC(C)C(=O)O Amb18523859 [0,0,0,0,0,0|3,0,1]=4 124 B9R0.7 CC(O)CN[C@H](C)C(=O)O Amb28246243 [0,0,0,0,0,0|3,0,1]=4 125 B9R0.7 CC(O)CO[C@@H](C)C(=O)O Amb27273395 [0,0,0,0,0,0|3,0,1]=4 126 B9R0.7 CC(O)NC[C@H](N)C(=O)O Amb24575047 [0,0,0,0,0,0|2,0,1]=3 127 B9R0.7 CC(O)OC[C@@H](N)C(=O)O Amb28348403 [0,0,0,0,0,0|2,0,1]=3 128 B9R0.7 CC(SCC(=O)O)C(=O)O Amb2431034 [0,0,0,0,0,0|2,0,0]=2 129 B9R0.7 CC(SCC(N)=O)C(N)=O Amb27184474 [0,0,0,0,0,0|4,0,0]=4 130 B9R0.7 CN(C)CCC(F)C(=O)O Amb27959150 [0,0,0,0,0,0|4,0,0]=4 131 B9R0.7 CN(C)CCC(N)C(=O)O Amb32661000 [0,0,0,0,0,0|3,0,0]=3 132 B9R0.7 CN(C)CCC(N)C(=O)O Amb6259376 [0,0,0,0,0,0|3,0,0]=3 133 B9R0.7 CN(C)CCC(N)C(N)=O Amb19036813 [0,0,0,0,0,0|4,0,0]=4 134 B9R0.7 CN(C)CCC(O)C(=O)O Amb26847402 [0,0,0,0,0,0|4,0,0]=4 135 B9R0.7 CN(C)CC[C@@H](N)C(=O)O Amb26453522 [0,0,0,0,0,0|3,0,0]=3 136 B9R0.7 CN(C)CC[C@H](N)C(=O)O Amb25108550 [0,0,0,0,0,0|3,0,0]=3 137 B9R0.7 CN(C)CC[C@H](N)C(N)=O Amb28364893 [0,0,0,0,0,0|4,0,0]=4 138 B9R0.7 CN(C)NCC(N)C(=O)O Amb28045970 [0,0,0,0,0,0|4,0,0]=4 139 B9R0.7 CN(CCC(=O)O)C(=N)N Amb27389762 [0,0,0,0,0,0|4,0,0]=4 140 B9R0.7 CN(CCC(=O)O)C(N)=O Amb18984979 [0,0,0,0,0,0|3,0,0]=3 141 B9R0.7 CN(CCC(=O)O)[N+](=O)[O-] Amb23481534 [0,0,0,0,0,0|3,0,1]=4 142 B9R0.7 CN(CCC(N)=O)C(N)=O Amb28316022 [0,0,0,0,0,0|4,0,0]=4 143 B9R0.7 CN(O)C(=O)CCC(=O)O Amb27460547 [0,0,0,0,0,0|3,0,1]=4 144 B9R0.7 CN(O)CC[C@H](N)C(=O)O Amb27640254 [0,0,0,0,0,0|2,0,0]=2 145 B9R0.7 CS(=N)CCC(N)C(=O)O Amb25243030 [0,0,0,0,0,0|3,0,0]=3 146 B9R0.7 CS(=O)CCC(N)C(=O)O Amb6336322 [0,0,0,0,0,0|2,0,0]=2 147 B9R0.7 CS(=O)CCC(N)C(N)=O Amb25869966 [0,0,0,0,0,0|3,0,0]=3 148 B9R0.7 CS(=O)CCC(O)C(=O)O Amb28118981 [0,0,0,0,0,0|3,0,0]=3 149 B9R0.7 CS(=O)CC[C@@H](N)C(=O)O Amb19133021 [0,0,0,0,0,0|2,0,0]=2 150 B9R0.7 CS(=O)CC[C@H](N)C(=O)O Amb6600089 [0,0,0,0,0,0|2,0,0]=2 151 B9R0.7 CS(=O)NCC(N)C(=O)O Amb28122995 [0,0,0,0,0,0|3,0,0]=3 152 B9R0.7 C[C@@H](CCC(=O)O)C(=O)O Amb22799543 [0,0,0,0,0,0|1,0,0]=1 153 B9R0.7 C[C@@H](CC[N+](=O)[O-])C(=O)O Amb24330210 [0,0,0,0,0,0|2,0,1]=3 154 B9R0.7 C[C@@H](CNC(N)=O)C(=O)O Amb10844047 [0,0,0,0,0,0|3,0,0]=3 155 B9R0.7 C[C@@H](F)[C@@H](N)CCC(=O)O Amb27604296 [0,0,0,0,0,0|2,0,1]=3 156 B9R0.7 C[C@@H](F)[C@H](O)CCC(=O)O Amb28256347 [0,0,0,0,0,0|3,0,1]=4 157 B9R0.7 C[C@@H](N)CC[C@@H](O)C(=O)O Amb27815031 [0,0,0,0,0,0|3,0,1]=4 158 B9R0.7 C[C@@H](N)[C@@H](O)CCC(=O)O Amb27655533 [0,0,0,0,0,0|3,0,1]=4 159 B9R0.7 C[C@@H](NCC(=O)O)C(=O)O Amb22748947 [0,0,0,0,0,0|2,0,0]=2 160 B9R0.7 C[C@@H](O)[C@H](O)CCC(=O)O Amb27628876 [0,0,0,0,0,0|2,0,1]=3 161 B9R0.7 C[C@H](CCC(=O)O)C(=O)O Amb22225175 [0,0,0,0,0,0|1,0,0]=1 162 B9R0.7 C[C@H](CC[N+](=O)[O-])C(=O)O Amb13883662 [0,0,0,0,0,0|2,0,1]=3 163 B9R0.7 C[C@H](CNC(N)=O)C(=O)O Amb27235917 [0,0,0,0,0,0|3,0,0]=3 164 B9R0.7 C[C@H](F)[C@H](O)CCC(=O)O Amb28126864 [0,0,0,0,0,0|3,0,1]=4 165 B9R0.7 C[C@H](NCC(=O)O)C(=O)O Amb25133540 [0,0,0,0,0,0|2,0,0]=2 166 B9R0.7 C[C@H](NCC(=O)O)C(=O)O Amb33803333 [0,0,0,0,0,0|2,0,0]=2 167 B9R0.7 C[C@H](NCC(=O)O)C(N)=O Amb27771293 [0,0,0,0,0,0|3,0,0]=3 168 B9R0.7 C[C@H](O)[C@H](N)CCC(=O)O Amb27217393 [0,0,0,0,0,0|1,0,1]=2 169 B9R0.7 C[S+](C)CCC(N)C(=O)O Amb4006595 [0,0,0,0,0,0|3,0,0]=3 170 B9R0.7 C[S+](C)CCC(N)C(=O)O Amb4006626 [0,0,0,0,0,0|3,0,0]=3 171 B9R0.7 C[S+](C)CCC(N)C(=O)O Amb4007490 [0,0,0,0,0,0|3,0,0]=3 172 B9R0.7 C[S+](C)CCC(O)C(=O)O Amb33482959 [0,0,0,0,0,0|4,0,0]=4 173 B9R0.7 C[S+](C)CC[C@@H](N)C(=O)O Amb35781977 [0,0,0,0,0,0|3,0,0]=3 174 B9R0.7 C[S+](C)CC[C@@H](N)C(=O)O Amb6336613 [0,0,0,0,0,0|3,0,0]=3 175 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O Amb10601599 [0,0,0,0,0,0|3,0,0]=3 176 B9R0.7 C[SH](C)CC[C@H](N)C(=O)O Amb24440849 [0,0,0,0,0,0|3,0,0]=3 177 B9R0.7 C\C(=C/CC(=O)O)C(=O)O Amb27214024 [0,0,0,0,0,0|1,0,2]=3 178 B9R0.7 C\C(=C\CC(=O)O)C(=O)O Amb25960751 [0,0,0,0,0,0|1,0,2]=3 179 B9R0.7 C\C(=N/CC(=O)O)C(=O)O Amb27759453 [0,0,0,0,0,0|2,0,1]=3 180 B9R0.7 C\C(Cl)=C/CC(Cl)C(=O)O Amb27212547 [0,0,0,0,0,0|3,0,1]=4 181 B9R0.7 C\C(Cl)=C\CC(Cl)C(=O)O Amb17594711 [0,0,0,0,0,0|3,0,1]=4 182 B9R0.7 C\C(F)=C/C[C@H](N)C(=O)O Amb27205690 [0,0,0,0,0,0|2,0,1]=3 183 B9R0.7 N=C(N)CCC(N)C(=O)O Amb28185146 [0,0,0,0,0,0|2,0,0]=2 184 B9R0.7 N=C(N)NCC(N)C(=O)O Amb22169574 [0,0,0,0,0,0|3,0,0]=3 185 B9R0.7 N=C(N)NCC(N)C(=O)O Amb9871390 [0,0,0,0,0,0|3,0,0]=3 186 B9R0.7 N=C(N)NCC(O)C(=O)O Amb27229727 [0,0,0,0,0,0|4,0,0]=4 187 B9R0.7 N=C(N)NC[C@@H](N)C(=O)O Amb28058768 [0,0,0,0,0,0|3,0,0]=3 188 B9R0.7 N=C(N)NC[C@@H](N)C(=O)O Amb31292962 [0,0,0,0,0,0|3,0,0]=3 189 B9R0.7 N=C(N)NC[C@H](N)C(=O)O Amb27230623 [0,0,0,0,0,0|3,0,0]=3 190 B9R0.7 NC(=O)C(=O)NCC(=O)O Amb28050058 [0,0,0,0,0,0|3,0,1]=4 191 B9R0.7 NC(=O)C(N)CC=C(Cl)Cl Amb29866586 [0,0,0,0,0,0|3,0,1]=4 192 B9R0.7 NC(=O)C(N)CCC(=O)O Amb18644256 [0,0,0,0,0,0|1,0,0]=1 193 B9R0.7 NC(=O)CCC(=O)C(=O)O Amb26369364 [0,0,0,0,0,0|2,0,1]=3 194 B9R0.7 NC(=O)CCC(Br)C(=O)O Amb27828829 [0,0,0,0,0,0|2,0,0]=2 195 B9R0.7 NC(=O)CCC(N)C(=O)Cl Amb27793490 [0,0,0,0,0,0|2,0,0]=2 196 B9R0.7 NC(=O)CCC(N)C(=O)O Amb9702792 [0,0,0,0,0,0|1,0,0]=1 197 B9R0.7 NC(=O)CCC(N)C(N)=O Amb27175153 [0,0,0,0,0,0|2,0,0]=2 198 B9R0.7 NC(=O)CCC(O)C(N)=O Amb28289307 [0,0,0,0,0,0|3,0,0]=3 199 B9R0.7 NC(=O)CC[C@@H](Br)C(=O)O Amb28049993 [0,0,0,0,0,0|2,0,0]=2 200 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O Amb2688618 [0,0,0,0,0,0|1,0,0]=1 201 B9R0.7 NC(=O)CC[C@@H](N)C(N)=O Amb22748708 [0,0,0,0,0,0|2,0,0]=2 202 B9R0.7 NC(=O)CC[C@@H](N)C(N)=O Amb25996678 [0,0,0,0,0,0|2,0,0]=2 203 B9R0.7 NC(=O)CC[C@H](N)C(=O)O Amb6600045 [0,0,0,0,0,0|1,0,0]=1 204 B9R0.7 NC(=O)CC[C@H](N)C(N)=O Amb24426852 [0,0,0,0,0,0|2,0,0]=2 205 B9R0.7 NC(=O)CC[C@H](N)C(N)=O Amb33774694 [0,0,0,0,0,0|2,0,0]=2 206 B9R0.7 NC(=O)CNC(=O)C(=O)O Amb9303805 [0,0,0,0,0,0|3,0,1]=4 207 B9R0.7 NC(=O)NCC(F)C(=O)O Amb17610485 [0,0,0,0,0,0|3,0,0]=3 208 B9R0.7 NC(=O)NCC(N)C(=O)O Amb4037018 [0,0,0,0,0,0|2,0,0]=2 209 B9R0.7 NC(=O)NCC(N)C(N)=O Amb27646620 [0,0,0,0,0,0|3,0,0]=3 210 B9R0.7 NC(=O)NCC(O)C(=O)O Amb27464106 [0,0,0,0,0,0|3,0,0]=3 211 B9R0.7 NC(=O)NCC(O)C(N)=O Amb28384014 [0,0,0,0,0,0|4,0,0]=4 212 B9R0.7 NC(=O)NC[C@@H](N)C(=O)O Amb10068479 [0,0,0,0,0,0|2,0,0]=2 213 B9R0.7 NC(=O)NC[C@H](N)C(=O)O Amb6298794 [0,0,0,0,0,0|2,0,0]=2 214 B9R0.7 NC(=O)OCC(N)C(=O)O Amb26968173 [0,0,0,0,0,0|2,0,0]=2 215 B9R0.7 NC(=O)OC[C@H](N)C(=O)O Amb28126945 [0,0,0,0,0,0|2,0,0]=2 216 B9R0.7 NC(=O)SCC(N)C(=O)O Amb3993051 [0,0,0,0,0,0|2,0,0]=2 217 B9R0.7 NC(=O)SC[C@@H](N)C(=O)O Amb10072293 [0,0,0,0,0,0|2,0,0]=2 218 B9R0.7 NC(=O)SC[C@H](N)C(=O)O Amb22735296 [0,0,0,0,0,0|2,0,0]=2 219 B9R0.7 NC(=O)[C@@H](N)CCC(=O)O Amb22745051 [0,0,0,0,0,0|1,0,0]=1 220 B9R0.7 NC(=O)[C@H](N)CCC(=O)O Amb24557281 [0,0,0,0,0,0|1,0,0]=1 221 B9R0.7 NC(=S)CCC(N)C(=O)O Amb27448533 [0,0,0,0,0,0|1,1,0]=2 222 B9R0.7 NC(=S)CC[C@H](N)C(=O)O Amb27640783 [0,0,0,0,0,0|1,1,0]=2 223 B9R0.7 NC(CC=C(Cl)Cl)C(=O)O Amb28239821 [0,0,0,0,0,0|2,0,1]=3 224 B9R0.7 NC(CCB(O)O)C(=O)O Amb22497480 [0,0,0,0,0,0|1,0,1]=2 225 B9R0.7 NC(CCC(=O)Cl)C(=O)O Amb27816376 [0,0,0,0,0,0|1,0,0]=1 226 B9R0.7 NC(CCC(=O)O)B(O)O Amb26983348 [0,0,0,0,0,0|1,0,1]=2 227 B9R0.7 NC(CCC(=O)O)C(=O)O Amb8395158 [0,0,0,0,0,0|0,0,0]=0 228 B9R0.7 NC(CCC(=O)O)C(=O)O Amb9703098 [0,0,0,0,0,0|0,0,0]=0 229 B9R0.7 NC(CCC(=O)O)C(=O)[O-] Amb4014785 [0,0,0,0,0,0|0,0,1]=1 230 B9R0.7 NC(CCC(=O)O)C(F)F Amb19148415 [0,0,0,0,0,0|2,0,1]=3 231 B9R0.7 NC(CC[N+](=O)[O-])C(=O)O Amb27221965 [0,0,0,0,0,0|1,0,1]=2 232 B9R0.7 NC(CN[N+](=O)[O-])C(=O)O Amb27857570 [0,0,0,0,0,0|2,0,1]=3 233 B9R0.7 NC(COC(F)F)C(=O)O Amb27849786 [0,0,0,0,0,0|3,0,1]=4 234 B9R0.7 NC(CSC(=O)O)C(=O)O Amb27491502 [0,0,0,0,0,0|1,0,0]=1 235 B9R0.7 N[C@@H](CC=C(Cl)Cl)C(=O)O Amb29866596 [0,0,0,0,0,0|2,0,1]=3 236 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O Amb34915082 [0,0,0,0,0,0|0,0,0]=0 237 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O Amb3940322 [0,0,0,0,0,0|0,0,0]=0 238 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O Amb8513626 [0,0,0,0,0,0|0,0,0]=0 239 B9R0.7 N[C@@H](CCC(=O)O)C(=O)[O-] Amb22745619 [0,0,0,0,0,0|0,0,1]=1 240 B9R0.7 N[C@@H](CCC(O)=S)C(=O)O Amb24480492 [0,0,0,0,0,0|0,1,0]=1 241 B9R0.7 N[C@@H](CCS(=O)O)C(=O)O Amb25972325 [0,0,0,0,0,0|1,0,0]=1 242 B9R0.7 N[C@@H](CC[PH](=O)O)C(=O)O Amb22904307 [0,0,0,0,0,0|1,0,0]=1 243 B9R0.7 N[C@@H](CO[N+](=O)[O-])C(=O)O Amb27793180 [0,0,0,0,0,0|2,0,1]=3 244 B9R0.7 N[C@@H](CSC(=O)O)C(=O)O Amb27666945 [0,0,0,0,0,0|1,0,0]=1 245 B9R0.7 N[C@H](CC=C(Cl)Cl)C(=O)O Amb29866643 [0,0,0,0,0,0|2,0,1]=3 246 B9R0.7 N[C@H](CCC(=O)O)C(=O)O Amb2720565 [0,0,0,0,0,0|0,0,0]=0 247 B9R0.7 N[C@H](COC(F)F)C(=O)O Amb27637675 [0,0,0,0,0,0|3,0,1]=4 248 B9R0.7 N[C@H](CSC(F)F)C(=O)O Amb28290955 [0,0,0,0,0,0|3,0,1]=4 249 B9R0.7 O=C(Cl)SCC(=O)C(=O)O Amb33070040 [0,0,0,0,0,0|3,0,1]=4 250 B9R0.7 O=C(O)CCC(=O)C(=O)O Amb1154117 [0,0,0,0,0,0|1,0,1]=2 251 B9R0.7 O=C(O)CCC(=O)C(=O)O Amb16232496 [0,0,0,0,0,0|1,0,1]=2 252 B9R0.7 O=C(O)CCC(=O)C(=O)O Amb22746233 [0,0,0,0,0,0|1,0,1]=2 253 B9R0.7 O=C(O)CCC(=O)C(O)O Amb28429041 [0,0,0,0,0,0|1,0,3]=4 254 B9R0.7 O=C(O)CCC(Br)C(=O)O Amb26568399 [0,0,0,0,0,0|1,0,0]=1 255 B9R0.7 O=C(O)CCC(Cl)=C(Cl)Cl Amb27621905 [0,0,0,0,0,0|3,0,1]=4 256 B9R0.7 O=C(O)CCC(Cl)C(=O)O Amb17594149 [0,0,0,0,0,0|1,0,0]=1 257 B9R0.7 O=C(O)CCC(O)C(=O)O Amb18124864 [0,0,0,0,0,0|1,0,0]=1 258 B9R0.7 O=C(O)CCC(S)C(=O)O Amb27983646 [0,0,0,0,0,0|1,0,0]=1 259 B9R0.7 O=C(O)CC[C@@H](O)C(=O)O Amb22799690 [0,0,0,0,0,0|1,0,0]=1 260 B9R0.7 O=C(O)CC[C@H](Br)C(=O)O Amb26885416 [0,0,0,0,0,0|1,0,0]=1 261 B9R0.7 O=C(O)CC[C@H](Cl)C(=O)O Amb26590823 [0,0,0,0,0,0|1,0,0]=1 262 B9R0.7 O=C(O)CC[C@H](O)C(=O)O Amb25948742 [0,0,0,0,0,0|1,0,0]=1 263 B9R0.7 O=C(O)CNC(=O)C(=O)O Amb2447304 [0,0,0,0,0,0|2,0,1]=3 264 B9R0.7 O=C(O)COC(=O)C(=O)O Amb28050116 [0,0,0,0,0,0|2,0,1]=3 265 B9R0.7 O=C(O)C\C=C(/Cl)C(=O)O Amb27863082 [0,0,0,0,0,0|1,0,2]=3 266 B9R0.7 O=C(O)[C@H](O)CO[PH](=O)O Amb27955235 [0,0,0,0,0,0|3,0,0]=3 267 B9R0.7 O=C(O)\C=C\C(=O)C(=O)O Amb27214257 [0,0,0,0,0,0|1,0,3]=4 268 B9R0.7 O=C([O-])CCC(=O)C(=O)O Amb22231405 [0,0,0,0,0,0|1,0,2]=3 269 B9R0.7 O=C([O-])CCC(=O)C(=O)[O-] Amb10072211 [0,0,0,0,0,0|1,0,3]=4 270 B9R0.7 O=C([O-])CC[C@@H](O)C(=O)[O-] Amb17615399 [0,0,0,0,0,0|1,0,2]=3 271 B8R0.8 C#CCCC(C)C(=O)O Amb27464960 [1,0,0,0,0,0|2,0,1]=4 272 B8R0.8 C#CCCC(N)C(=O)O Amb6277526 [1,0,0,0,0,0|1,0,1]=3 273 B8R0.8 C#CCCC(N)C(N)=O Amb25703121 [1,0,0,0,0,0|2,0,1]=4 274 B8R0.8 C#CCC[C@@H](N)C(=O)O Amb24088809 [1,0,0,0,0,0|1,0,1]=3 275 B8R0.8 C#CCC[C@H](N)C(=O)O Amb24088866 [1,0,0,0,0,0|1,0,1]=3 276 B8R0.8 C#CCC[C@H](N)C(=O)O Amb33744060 [1,0,0,0,0,0|1,0,1]=3 277 B8R0.8 C=C(CCC=O)C(C)=O Amb26006569 [1,0,0,0,0,0|2,0,1]=4 278 B8R0.8 C=C(CCCO)C(=O)O Amb28313844 [1,0,0,0,0,0|1,0,2]=4 279 B8R0.8 C=C=CCC(N)C(=O)O Amb25843448 [1,0,0,0,0,0|1,0,2]=4 280 B8R0.8 C=C=CC[C@@H](N)C(=O)O Amb28070890 [1,0,0,0,0,0|1,0,2]=4 281 B8R0.8 C=CCCC(=O)C(=O)O Amb25738669 [1,0,0,0,0,0|2,0,1]=4 282 B8R0.8 C=CCCC(Br)C(=O)O Amb28047448 [1,0,0,0,0,0|2,0,0]=3 283 B8R0.8 C=CCCC(C)C(=O)O Amb18642656 [1,0,0,0,0,0|2,0,0]=3 284 B8R0.8 C=CCCC(C)C(C)=O Amb27470888 [1,0,0,0,0,0|3,0,0]=4 285 B8R0.8 C=CCCC(N)C(=O)O Amb24383848 [1,0,0,0,0,0|1,0,0]=2 286 B8R0.8 C=CCCC(N)C(=O)O Amb28934988 [1,0,0,0,0,0|1,0,0]=2 287 B8R0.8 C=CCCC(N)C(N)=O Amb24333721 [1,0,0,0,0,0|2,0,0]=3 288 B8R0.8 C=CCC[C@@H](N)C(=O)O Amb23439045 [1,0,0,0,0,0|1,0,0]=2 289 B8R0.8 C=CCC[C@@H](N)C(N)=O Amb27168705 [1,0,0,0,0,0|2,0,0]=3 290 B8R0.8 C=CCC[C@H](N)C(=O)O Amb28285244 [1,0,0,0,0,0|1,0,0]=2 291 B8R0.8 C=CCC[C@H](O)C(=O)O Amb28122952 [1,0,0,0,0,0|2,0,0]=3 292 B8R0.8 C=CCNC(C)C(=O)O Amb9326762 [1,0,0,0,0,0|3,0,0]=4 293 B8R0.8 C=CCOC(C)C(=O)O Amb9208699 [1,0,0,0,0,0|3,0,0]=4 294 B8R0.8 C=CCSC(C)C(=O)O Amb6273705 [1,0,0,0,0,0|3,0,0]=4 295 B8R0.8 C=CSCC(N)C(=O)O Amb28321669 [1,0,0,0,0,0|2,0,0]=3 296 B8R0.8 C=C\C=C\[C@H](N)C(=O)O Amb28324791 [1,0,0,0,0,0|1,0,2]=4 297 B8R0.8 CC#CCC(N)C(=O)O Amb18988250 [1,0,0,0,0,0|1,0,2]=4 298 B8R0.8 CC#CCC(N)C(=O)O Amb33551077 [1,0,0,0,0,0|1,0,2]=4 299 B8R0.8 CC#CC[C@@H](N)C(=O)O Amb22746783 [1,0,0,0,0,0|1,0,2]=4 300 B8R0.8 CC#CC[C@H](N)C(=O)O Amb27815040 [1,0,0,0,0,0|1,0,2]=4 301 B8R0.8 CC(=O)C(C)CCCO Amb27628329 [1,0,0,0,0,0|2,0,1]=4 302 B8R0.8 CC(=O)C(Cl)CCCO Amb27860344 [1,0,0,0,0,0|2,0,1]=4 303 B8R0.8 CC(=O)C(O)CCC=O Amb25965289 [1,0,0,0,0,0|2,0,0]=3 304 B8R0.8 CC(=O)N(C)CCC=O Amb27985872 [1,0,0,0,0,0|3,0,0]=4 305 B8R0.8 CC(=O)[C@@H](N)CCCO Amb27835141 [1,0,0,0,0,0|1,0,1]=3 306 B8R0.8 CC(CCC#N)C(=O)O Amb24462559 [1,0,0,0,0,0|2,0,1]=4 307 B8R0.8 CC(CCCCl)C(=O)O Amb2720283 [1,0,0,0,0,0|2,0,1]=4 308 B8R0.8 CC(CCCF)C(=O)O Amb25244585 [1,0,0,0,0,0|2,0,1]=4 309 B8R0.8 CC(CCCN)C(=O)O Amb25146072 [1,0,0,0,0,0|2,0,1]=4 310 B8R0.8 CC(CCCN)C(=O)O Amb32686960 [1,0,0,0,0,0|2,0,1]=4 311 B8R0.8 CC(CN=C=O)C(=O)O Amb33471309 [1,0,0,0,0,0|2,0,1]=4 312 B8R0.8 CC(C\C=N\O)C(=O)O Amb27217284 [1,0,0,0,0,0|2,0,1]=4 313 B8R0.8 CC(OCCO)C(=O)O Amb6680915 [1,0,0,0,0,0|2,0,1]=4 314 B8R0.8 CCCCC(Br)C(=O)O Amb9703129 [1,0,0,0,0,0|2,0,1]=4 315 B8R0.8 CCCCC(C)C(=O)O Amb3939937 [1,0,0,0,0,0|2,0,1]=4 316 B8R0.8 CCCCC(Cl)C(=O)O Amb17593750 [1,0,0,0,0,0|2,0,1]=4 317 B8R0.8 CCCCC(F)C(=O)O Amb25238781 [1,0,0,0,0,0|2,0,1]=4 318 B8R0.8 CCCCC(N)C(=O)O Amb4134813 [1,0,0,0,0,0|1,0,1]=3 319 B8R0.8 CCCCC(N)C(C)=O Amb1099238 [1,0,0,0,0,0|2,0,1]=4 320 B8R0.8 CCCCC(N)C(C)=O Amb22284085 [1,0,0,0,0,0|2,0,1]=4 321 B8R0.8 CCCCC(N)C(N)=O Amb18303664 [1,0,0,0,0,0|2,0,1]=4 322 B8R0.8 CCCCC(N)[PH](=O)O Amb27863480 [1,0,0,0,0,0|2,0,1]=4 323 B8R0.8 CCCCC(O)C(=O)O Amb3941634 [1,0,0,0,0,0|2,0,1]=4 324 B8R0.8 CCCCC(S)C(=O)O Amb25323873 [1,0,0,0,0,0|2,0,1]=4 325 B8R0.8 CCCC[C@@H](C)C(=O)O Amb24590691 [1,0,0,0,0,0|2,0,1]=4 326 B8R0.8 CCCC[C@@H](Cl)C(=O)O Amb27471038 [1,0,0,0,0,0|2,0,1]=4 327 B8R0.8 CCCC[C@@H](N)C(=O)O Amb1995006 [1,0,0,0,0,0|1,0,1]=3 328 B8R0.8 CCCC[C@H](Br)C(=O)O Amb28385588 [1,0,0,0,0,0|2,0,1]=4 329 B8R0.8 CCCC[C@H](C)C(=O)O Amb25850678 [1,0,0,0,0,0|2,0,1]=4 330 B8R0.8 CCCC[C@H](Cl)C(=O)O Amb27955265 [1,0,0,0,0,0|2,0,1]=4 331 B8R0.8 CCCC[C@H](N)C(=O)O Amb1995007 [1,0,0,0,0,0|1,0,1]=3 332 B8R0.8 CCCC[C@H](N)C(N)=O Amb9813732 [1,0,0,0,0,0|2,0,1]=4 333 B8R0.8 CCCC[C@H](O)C(=O)O Amb27626002 [1,0,0,0,0,0|2,0,1]=4 334 B8R0.8 CCCSC(N)C(=O)O Amb27865736 [1,0,0,0,0,0|2,0,1]=4 335 B8R0.8 CCOCC(N)C(=O)O Amb28048685 [1,0,0,0,0,0|2,0,1]=4 336 B8R0.8 CCOCC(N)C(=O)O Amb33542705 [1,0,0,0,0,0|2,0,1]=4 337 B8R0.8 CCOC[C@@H](N)C(=O)O Amb25889733 [1,0,0,0,0,0|2,0,1]=4 338 B8R0.8 CCOC[C@@H](N)C(=O)O Amb30585227 [1,0,0,0,0,0|2,0,1]=4 339 B8R0.8 CCOC[C@H](N)C(=O)O Amb22737184 [1,0,0,0,0,0|2,0,1]=4 340 B8R0.8 CCOC[C@H](N)C(=O)O Amb24478577 [1,0,0,0,0,0|2,0,1]=4 341 B8R0.8 CCSCC(N)C(=O)O Amb6257004 [1,0,0,0,0,0|2,0,1]=4 342 B8R0.8 COCCC(C)C(=O)O Amb18523823 [1,0,0,0,0,0|3,0,0]=4 343 B8R0.8 COCCC(Cl)C(=O)O Amb27424361 [1,0,0,0,0,0|3,0,0]=4 344 B8R0.8 COCCC(N)C(=O)O Amb32675454 [1,0,0,0,0,0|2,0,0]=3 345 B8R0.8 COCCC(N)C(=O)O Amb6281324 [1,0,0,0,0,0|2,0,0]=3 346 B8R0.8 COCCC(N)C(N)=O Amb18311365 [1,0,0,0,0,0|3,0,0]=4 347 B8R0.8 COCCC(N)C(N)=O Amb32712112 [1,0,0,0,0,0|3,0,0]=4 348 B8R0.8 COCCC(O)C(=O)O Amb27647966 [1,0,0,0,0,0|3,0,0]=4 349 B8R0.8 COCC[C@@H](N)C(=O)O Amb16183870 [1,0,0,0,0,0|2,0,0]=3 350 B8R0.8 COCC[C@H](N)C(=O)O Amb16183872 [1,0,0,0,0,0|2,0,0]=3 351 B8R0.8 COCC[C@H](N)C(=O)O Amb24054991 [1,0,0,0,0,0|2,0,0]=3 352 B8R0.8 CPOC[C@H](N)C(=O)O Amb27424475 [1,0,0,0,0,0|3,0,0]=4 353 B8R0.8 CSCCC(C)C(=O)O Amb24739356 [1,0,0,0,0,0|3,0,0]=4 354 B8R0.8 CSCCC(Cl)C(=O)O Amb27468599 [1,0,0,0,0,0|3,0,0]=4 355 B8R0.8 CSCCC(N)C(=O)O Amb9703095 [1,0,0,0,0,0|2,0,0]=3 356 B8R0.8 CSCCC(N)C(C)=O Amb28388741 [1,0,0,0,0,0|3,0,0]=4 357 B8R0.8 CSCCC(N)C(N)=O Amb17142872 [1,0,0,0,0,0|3,0,0]=4 358 B8R0.8 CSCCC(N)C(N)=O Amb32752921 [1,0,0,0,0,0|3,0,0]=4 359 B8R0.8 CSCCC(O)C(=O)O Amb18304609 [1,0,0,0,0,0|3,0,0]=4 360 B8R0.8 CSCC[C@@H](N)C(=O)O Amb2720567 [1,0,0,0,0,0|2,0,0]=3 361 B8R0.8 CSCC[C@@H](N)C(=O)[O-] Amb32414686 [1,0,0,0,0,0|2,0,1]=4 362 B8R0.8 CSCC[C@@H](N)C(N)=O Amb18035930 [1,0,0,0,0,0|3,0,0]=4 363 B8R0.8 CSCC[C@@H](N)C(N)=O Amb22750575 [1,0,0,0,0,0|3,0,0]=4 364 B8R0.8 CSCC[C@@H](O)C(=O)O Amb25124092 [1,0,0,0,0,0|3,0,0]=4 365 B8R0.8 CSCC[C@H](Cl)C(=O)O Amb28286496 [1,0,0,0,0,0|3,0,0]=4 366 B8R0.8 CSCC[C@H](N)C(=O)O Amb5720611 [1,0,0,0,0,0|2,0,0]=3 367 B8R0.8 CSCC[C@H](N)C(C)=O Amb27763449 [1,0,0,0,0,0|3,0,0]=4 368 B8R0.8 CSCC[C@H](N)C(N)=O Amb8390412 [1,0,0,0,0,0|3,0,0]=4 369 B8R0.8 CSCC[C@H](N)C(N)=O Amb9813735 [1,0,0,0,0,0|3,0,0]=4 370 B8R0.8 CSCC[C@H](O)C(=O)O Amb28285270 [1,0,0,0,0,0|3,0,0]=4 371 B8R0.8 CSCOC(N)C(=O)O Amb27634144 [1,0,0,0,0,0|3,0,0]=4 372 B8R0.8 CSCO[C@H](N)C(=O)O Amb28183053 [1,0,0,0,0,0|3,0,0]=4 373 B8R0.8 CSOCC(N)C(=O)O Amb28285144 [1,0,0,0,0,0|3,0,0]=4 374 B8R0.8 CSSC[C@@H](N)C(=O)O Amb28381312 [1,0,0,0,0,0|3,0,0]=4 375 B8R0.8 CSSC[C@H](N)C(=O)O Amb28118786 [1,0,0,0,0,0|3,0,0]=4 376 B8R0.8 C[C@@H](CCC#N)C(=O)O Amb27870712 [1,0,0,0,0,0|2,0,1]=4 377 B8R0.8 C[C@@H](CCCN)C(=O)O Amb28314637 [1,0,0,0,0,0|2,0,1]=4 378 B8R0.8 C[C@@H](NCCO)C(=O)O Amb26885478 [1,0,0,0,0,0|2,0,1]=4 379 B8R0.8 C[C@@H](OCCO)C(=O)O Amb28318043 [1,0,0,0,0,0|2,0,1]=4 380 B8R0.8 C[C@H](NCCO)C(=O)O Amb28058421 [1,0,0,0,0,0|2,0,1]=4 381 B8R0.8 C[C@H](O)[C@@H](O)CCC=O Amb28042891 [1,0,0,0,0,0|2,0,1]=4 382 B8R0.8 C[C@H](OCCO)C(=O)O Amb27398048 [1,0,0,0,0,0|2,0,1]=4 383 B8R0.8 C[Se]CCC(N)C(=O)O Amb8514803 [1,0,0,0,0,0|2,0,0]=3 384 B8R0.8 C[Se]CC[C@@H](N)C(=O)O Amb31031165 [1,0,0,0,0,0|2,0,0]=3 385 B8R0.8 C[Se]CC[C@H](N)C(=O)O Amb8514895 [1,0,0,0,0,0|2,0,0]=3 386 B8R0.8 C\C=C\CC(C)C(=O)O Amb18642630 [1,0,0,0,0,0|2,0,1]=4 387 B8R0.8 C\C=C\CC(F)C(=O)O Amb27959670 [1,0,0,0,0,0|2,0,1]=4 388 B8R0.8 C\C=C\CC(N)C(=O)O Amb6256663 [1,0,0,0,0,0|1,0,1]=3 389 B8R0.8 C\C=C\CC(N)C(N)=O Amb26904386 [1,0,0,0,0,0|2,0,1]=4 390 B8R0.8 C\C=C\C[C@@H](N)C(=O)O Amb33065673 [1,0,0,0,0,0|1,0,1]=3 391 B8R0.8 C\C=C\C[C@H](C)C(=O)O Amb28368854 [1,0,0,0,0,0|2,0,1]=4 392 B8R0.8 C\C=C\C[C@H](N)C(=O)O Amb27768785 [1,0,0,0,0,0|1,0,1]=3 393 B8R0.8 N#CCCC(Br)C(=O)O Amb27863558 [1,0,0,0,0,0|2,0,1]=4 394 B8R0.8 N#CCCC(N)C(=O)O Amb18642589 [1,0,0,0,0,0|1,0,1]=3 395 B8R0.8 N#CCCC(N)C(N)=O Amb26567424 [1,0,0,0,0,0|2,0,1]=4 396 B8R0.8 N#CCCC(O)C(=O)O Amb28239951 [1,0,0,0,0,0|2,0,1]=4 397 B8R0.8 N#CCCC([AlH5])C(=O)O Amb31132465 [1,0,0,0,0,0|2,0,1]=4 398 B8R0.8 N#CCC[C@@H](N)C(=O)O Amb25063958 [1,0,0,0,0,0|1,0,1]=3 399 B8R0.8 N#CCC[C@H](N)C(=O)O Amb16183912 [1,0,0,0,0,0|1,0,1]=3 400 B8R0.8 N#CCC[C@H](O)C(=O)O Amb28144260 [1,0,0,0,0,0|2,0,1]=4 401 B8R0.8 N#CSCC(N)C(=O)O Amb17593655 [1,0,0,0,0,0|2,0,1]=4 402 B8R0.8 NC(=O)C(N)CCCF Amb27424739 [1,0,0,0,0,0|2,0,1]=4 403 B8R0.8 NC(=O)C(N)CCCO Amb33066182 [1,0,0,0,0,0|1,0,1]=3 404 B8R0.8 NC(=O)C(N)C\C=C\Cl Amb27860856 [1,0,0,0,0,0|2,0,1]=4 405 B8R0.8 NC(=O)C(O)CNC=O Amb27784034 [1,0,0,0,0,0|3,0,0]=4 406 B8R0.8 NC(CCCBr)C(=O)O Amb24480263 [1,0,0,0,0,0|1,0,1]=3 407 B8R0.8 NC(CCCF)C(=O)O Amb25366994 [1,0,0,0,0,0|1,0,1]=3 408 B8R0.8 NC(CCCO)C(=O)O Amb18642915 [1,0,0,0,0,0|0,0,1]=2 409 B8R0.8 NC(CCCO)C(=O)O Amb22900028 [1,0,0,0,0,0|0,0,1]=2 410 B8R0.8 NC(CCCS)C(=O)O Amb27947968 [1,0,0,0,0,0|0,1,1]=3 411 B8R0.8 NC(CCNO)C(=O)O Amb28285114 [1,0,0,0,0,0|1,0,0]=2 412 B8R0.8 NC(CN=C=S)C(=O)O Amb28281778 [1,0,0,0,0,0|1,1,1]=4 413 B8R0.8 NC(C\C=C\Br)C(=O)O Amb27607572 [1,0,0,0,0,0|1,0,1]=3 414 B8R0.8 NC(C\C=C\Cl)C(=O)O Amb33037023 [1,0,0,0,0,0|1,0,1]=3 415 B8R0.8 NCCCC(Br)C(=O)O Amb17595166 [1,0,0,0,0,0|2,0,1]=4 416 B8R0.8 NCCCC(F)C(=O)O Amb27235092 [1,0,0,0,0,0|2,0,1]=4 417 B8R0.8 NCCCC(N)C(=O)O Amb22489477 [1,0,0,0,0,0|1,0,1]=3 418 B8R0.8 NCCCC(N)C(=O)O Amb4006442 [1,0,0,0,0,0|1,0,1]=3 419 B8R0.8 NCCCC(N)C(=O)O Amb9173756 [1,0,0,0,0,0|1,0,1]=3 420 B8R0.8 NCCCC(N)C(N)=O Amb24118008 [1,0,0,0,0,0|2,0,1]=4 421 B8R0.8 NCCCC(N)[PH](=O)O Amb27645413 [1,0,0,0,0,0|2,0,1]=4 422 B8R0.8 NCCC[C@@H](N)C(=O)O Amb32411789 [1,0,0,0,0,0|1,0,1]=3 423 B8R0.8 NCCC[C@@H](N)C(=O)O Amb6600152 [1,0,0,0,0,0|1,0,1]=3 424 B8R0.8 NCCC[C@@H](N)C(=O)O Amb8390415 [1,0,0,0,0,0|1,0,1]=3 425 B8R0.8 NCCC[C@H](N)C(=O)O Amb20240598 [1,0,0,0,0,0|1,0,1]=3 426 B8R0.8 NCCC[C@H](N)C(=O)O Amb22746434 [1,0,0,0,0,0|1,0,1]=3 427 B8R0.8 NCCC[C@H](N)C(=O)O Amb8513279 [1,0,0,0,0,0|1,0,1]=3 428 B8R0.8 NCCC[C@H](N)C(=O)O Amb8627869 [1,0,0,0,0,0|1,0,1]=3 429 B8R0.8 NCCC[C@H](O)C(=O)O Amb27804309 [1,0,0,0,0,0|2,0,1]=4 430 B8R0.8 NCOCC(N)C(=O)O Amb27429950 [1,0,0,0,0,0|2,0,1]=4 431 B8R0.8 NCOC[C@@H](N)C(=O)O Amb27233969 [1,0,0,0,0,0|2,0,1]=4 432 B8R0.8 NOCCC(N)C(=O)O Amb17593409 [1,0,0,0,0,0|2,0,0]=3 433 B8R0.8 NOCCC(N)C(=O)O Amb21858490 [1,0,0,0,0,0|2,0,0]=3 434 B8R0.8 NOCC[C@H](N)C(=O)O Amb26346874 [1,0,0,0,0,0|2,0,0]=3 435 B8R0.8 NOCC[C@H](N)C(=O)O Amb33038084 [1,0,0,0,0,0|2,0,0]=3 436 B8R0.8 N[C@@H](CCCCl)C(=O)O Amb27227989 [1,0,0,0,0,0|1,0,1]=3 437 B8R0.8 N[C@@H](CCCF)C(=O)O Amb27223043 [1,0,0,0,0,0|1,0,1]=3 438 B8R0.8 N[C@@H](CCCO)C(=O)O Amb16183887 [1,0,0,0,0,0|0,0,1]=2 439 B8R0.8 N[C@@H](CCNO)C(=O)O Amb24117852 [1,0,0,0,0,0|1,0,0]=2 440 B8R0.8 N[C@@H](CSCO)C(=O)O Amb27470985 [1,0,0,0,0,0|1,0,1]=3 441 B8R0.8 N[C@@H](CSN=O)C(=O)O Amb28182982 [1,0,0,0,0,0|2,0,0]=3 442 B8R0.8 N[C@@H](C\C=C\Cl)C(=O)O Amb33065741 [1,0,0,0,0,0|1,0,1]=3 443 B8R0.8 N[C@H](CCCBr)C(=O)O Amb26080278 [1,0,0,0,0,0|1,0,1]=3 444 B8R0.8 N[C@H](CCCF)C(=O)O Amb26908418 [1,0,0,0,0,0|1,0,1]=3 445 B8R0.8 N[C@H](CCCO)C(=O)O Amb28120579 [1,0,0,0,0,0|0,0,1]=2 446 B8R0.8 N[C@H](CCCO)C(=O)O Amb34913429 [1,0,0,0,0,0|0,0,1]=2 447 B8R0.8 N[C@H](CSN=O)C(=O)O Amb27845439 [1,0,0,0,0,0|2,0,0]=3 448 B8R0.8 N[C@H](C\C=C\Cl)C(=O)O Amb33309034 [1,0,0,0,0,0|1,0,1]=3 449 B8R0.8 O=C(O)C(=O)CCCO Amb27470301 [1,0,0,0,0,0|1,0,2]=4 450 B8R0.8 O=C(O)C(=O)CCCO Amb30666618 [1,0,0,0,0,0|1,0,2]=4 451 B8R0.8 O=C(O)C(Br)CCCCl Amb17595866 [1,0,0,0,0,0|2,0,1]=4 452 B8R0.8 O=C(O)C(Br)CCCO Amb28313364 [1,0,0,0,0,0|1,0,1]=3 453 B8R0.8 O=C(O)C(O)CCCF Amb33196454 [1,0,0,0,0,0|2,0,1]=4 454 B8R0.8 O=C(O)C(O)CCCO Amb18642939 [1,0,0,0,0,0|1,0,1]=3 455 B8R0.8 O=C([O-])C(O)CCCO Amb28935028 [1,0,0,0,0,0|1,0,2]=4 456 B8R0.8 O=C=NC[C@@H](F)C(=O)O Amb33037069 [1,0,0,0,0,0|2,0,1]=4 457 B8R0.8 O=CCCC(=O)C(=O)O Amb27882544 [1,0,0,0,0,0|1,0,1]=3 458 B8R0.8 O=CCCC(=O)C(=O)O Amb32670694 [1,0,0,0,0,0|1,0,1]=3 459 B8R0.8 O=CNC[C@@H](O)C(=O)O Amb27637039 [1,0,0,0,0,0|2,0,0]=3 460 B8R0.8 O=COCC(Cl)C(=O)O Amb27477082 [1,0,0,0,0,0|2,0,0]=3 461 B8R0.8 [N-]=[N+]=NCC(N)C(=O)O Amb28342834 [1,0,0,0,0,0|3,0,0]=4 462 B8R0.8 [N-]=[N+]=NCC(N)C(=O)O Amb35752605 [1,0,0,0,0,0|3,0,0]=4 463 B8R0.8 [N-]=[N+]=NC[C@@H](N)C(=O)O Amb26007532 [1,0,0,0,0,0|3,0,0]=4 464 B8R0.8 [N-]=[N+]=NC[C@@H](N)C(=O)O Amb33734276 [1,0,0,0,0,0|3,0,0]=4 465 B8R0.8 [N-]=[N+]=NC[C@H](N)C(=O)O Amb25072668 [1,0,0,0,0,0|3,0,0]=4 466 B8R0.8 [N-]=[N+]=NC[C@H](N)C(=O)O Amb30586485 [1,0,0,0,0,0|3,0,0]=4 467 B8R0.9 C#CC(F)CCC(=O)O Amb28041990 [1,0,0,0,0,0|2,0,1]=4 468 B8R0.9 C#CC(N)CCC(=O)O Amb22352566 [1,0,0,0,0,0|1,0,1]=3 469 B8R0.9 C=C(C=O)CCC(=O)O Amb27655564 [1,0,0,0,0,0|1,0,1]=3 470 B8R0.9 C=CC(=C)CCC(=O)O Amb18642412 [1,0,0,0,0,0|2,0,1]=4 471 B8R0.9 C=CC(C)CCC(C)=O Amb26390728 [1,0,0,0,0,0|3,0,0]=4 472 B8R0.9 C=CC(C)OCC(=O)O Amb18642764 [1,0,0,0,0,0|3,0,0]=4 473 B8R0.9 C=CC(N)CCC(=O)O Amb10843623 [1,0,0,0,0,0|1,0,0]=2 474 B8R0.9 C=CC(N)CCC(=O)O Amb22056347 [1,0,0,0,0,0|1,0,0]=2 475 B8R0.9 C=CC(O)CCC(=O)O Amb25785193 [1,0,0,0,0,0|2,0,0]=3 476 B8R0.9 C=CC([NH3+])CCC(=O)O Amb10845648 [1,0,0,0,0,0|1,0,1]=3 477 B8R0.9 C=C[C@H](N)CCC(=O)O Amb25694354 [1,0,0,0,0,0|1,0,0]=2 478 B8R0.9 C=C[C@H](O)CCC(=O)O Amb27168215 [1,0,0,0,0,0|2,0,0]=3 479 B8R0.9 CC(=O)CCC(C)C=O Amb18642612 [1,0,0,0,0,0|2,0,0]=3 480 B8R0.9 CC(=O)CCC(C)CO Amb27838673 [1,0,0,0,0,0|2,0,1]=4 481 B8R0.9 CC(=O)CCC(F)CO Amb25200909 [1,0,0,0,0,0|2,0,1]=4 482 B8R0.9 CC(=O)CCN(C)C=O Amb27802453 [1,0,0,0,0,0|3,0,0]=4 483 B8R0.9 CC(=O)NCC(C)C=O Amb27485699 [1,0,0,0,0,0|3,0,0]=4 484 B8R0.9 CC(=O)NCC(N)NO Amb27413098 [1,0,0,0,0,0|3,0,0]=4 485 B8R0.9 CC(=O)OCC(N)CO Amb33140919 [1,0,0,0,0,0|2,0,1]=4 486 B8R0.9 CC(=O)OC[C@H](C)C=O Amb27230590 [1,0,0,0,0,0|3,0,0]=4 487 B8R0.9 CC(=O)SCC(C)C=O Amb27827463 [1,0,0,0,0,0|3,0,0]=4 488 B8R0.9 CC(C=O)CC[N+](=O)[O-] Amb27985090 [1,0,0,0,0,0|2,0,1]=4 489 B8R0.9 CC(CCC(=O)O)NO Amb27945567 [1,0,0,0,0,0|2,0,0]=3 490 B8R0.9 CC(CCl)CCC(=O)O Amb27838484 [1,0,0,0,0,0|2,0,1]=4 491 B8R0.9 CC(CN)CCC(=O)O Amb22059189 [1,0,0,0,0,0|2,0,1]=4 492 B8R0.9 CC(CN)CCC(=O)O Amb28935016 [1,0,0,0,0,0|2,0,1]=4 493 B8R0.9 CCC(Br)CCC(=O)O Amb28367201 [1,0,0,0,0,0|2,0,1]=4 494 B8R0.9 CCC(C)CCC(=O)O Amb22352932 [1,0,0,0,0,0|2,0,1]=4 495 B8R0.9 CCC(Cl)CCC(=O)O Amb27955847 [1,0,0,0,0,0|2,0,1]=4 496 B8R0.9 CCC(N)CCC(=O)O Amb21961489 [1,0,0,0,0,0|1,0,1]=3 497 B8R0.9 CCC(N)CCC(=O)O Amb5717972 [1,0,0,0,0,0|1,0,1]=3 498 B8R0.9 CCC(N)CCC(N)=O Amb27194979 [1,0,0,0,0,0|2,0,1]=4 499 B8R0.9 CCC(O)CCC(=O)O Amb27149373 [1,0,0,0,0,0|2,0,1]=4 500 B8R0.9 CCC(S)CCC(=O)O Amb27954753 [1,0,0,0,0,0|2,0,1]=4 501 B8R0.9 CC[C@@H](C)CCC(=O)O Amb25887394 [1,0,0,0,0,0|2,0,1]=4 502 B8R0.9 CC[C@H](O)CCC(=O)O Amb27170465 [1,0,0,0,0,0|2,0,1]=4 503 B8R0.9 CN(CCC(=O)O)N=O Amb17618592 [1,0,0,0,0,0|3,0,0]=4 504 B8R0.9 COC(C)CCC(=O)O Amb24271104 [1,0,0,0,0,0|3,0,0]=4 505 B8R0.9 CO[C@@H](C)CCC(=O)O Amb28241276 [1,0,0,0,0,0|3,0,0]=4 506 B8R0.9 CS(=O)CCC(N)CO Amb27867840 [1,0,0,0,0,0|2,0,1]=4 507 B8R0.9 CSC(C)CCC(=O)O Amb22059071 [1,0,0,0,0,0|3,0,0]=4 508 B8R0.9 C\C(CCC(=O)O)=N/O Amb25138471 [1,0,0,0,0,0|2,0,1]=4 509 B8R0.9 N#CC(N)CCC(=O)O Amb27596135 [1,0,0,0,0,0|1,0,1]=3 510 B8R0.9 N#CC(N)CCC(=O)O Amb30666632 [1,0,0,0,0,0|1,0,1]=3 511 B8R0.9 NC(=O)CCC(O)CO Amb28073389 [1,0,0,0,0,0|2,0,1]=4 512 B8R0.9 NC(=O)CC[C@H](N)CF Amb27431484 [1,0,0,0,0,0|2,0,1]=4 513 B8R0.9 NC(=O)CC[C@H](N)CO Amb24368577 [1,0,0,0,0,0|1,0,1]=3 514 B8R0.9 NC(=O)OCC(N)CO Amb27956487 [1,0,0,0,0,0|2,0,1]=4 515 B8R0.9 NC(CCl)CCC(=O)O Amb27440510 [1,0,0,0,0,0|1,0,1]=3 516 B8R0.9 NC(CF)CCC(=O)Cl Amb27876552 [1,0,0,0,0,0|2,0,1]=4 517 B8R0.9 NC(CF)CCC(=O)O Amb19148378 [1,0,0,0,0,0|1,0,1]=3 518 B8R0.9 NC(CF)CCC(=O)O Amb33473114 [1,0,0,0,0,0|1,0,1]=3 519 B8R0.9 NC(CO)CCC(=O)O Amb18642916 [1,0,0,0,0,0|0,0,1]=2 520 B8R0.9 NC(CO)CCC(=O)O Amb32665461 [1,0,0,0,0,0|0,0,1]=2 521 B8R0.9 NC(CS)CCC(=O)O Amb27458291 [1,0,0,0,0,0|0,1,1]=3 522 B8R0.9 NCC(N)CCC(=O)O Amb19328773 [1,0,0,0,0,0|1,0,1]=3 523 B8R0.9 NCC(N)CCC(=O)O Amb27837536 [1,0,0,0,0,0|1,0,1]=3 524 B8R0.9 NCC(O)CCC(=O)O Amb29838305 [1,0,0,0,0,0|2,0,1]=4 525 B8R0.9 NC[C@@H](O)CCC(=O)O Amb27477096 [1,0,0,0,0,0|2,0,1]=4 526 B8R0.9 NC[C@H](N)CCC(=O)O Amb28068164 [1,0,0,0,0,0|1,0,1]=3 527 B8R0.9 N[C@@H](CS)CCC(=O)O Amb28341808 [1,0,0,0,0,0|0,1,1]=3 528 B8R0.9 N[C@H](CF)CCC(=O)O Amb32729481 [1,0,0,0,0,0|1,0,1]=3 529 B8R0.9 N[C@H](CO)CCC(=O)O Amb24685421 [1,0,0,0,0,0|0,0,1]=2 530 B8R0.9 N[C@H](CO)CCC(=O)O Amb32664911 [1,0,0,0,0,0|0,0,1]=2 531 B8R0.9 O=C(O)CCC(O)CCl Amb27799910 [1,0,0,0,0,0|2,0,1]=4 532 B8R0.9 O=C(O)CCC(S)CS Amb27407074 [1,0,0,0,0,0|1,1,1]=4 533 B8R0.9 O=C(O)CC\C(O)=N\O Amb24745795 [1,0,0,0,0,0|2,0,1]=4 534 B8R0.9 O=CC(=O)CCC(=O)O Amb18642737 [1,0,0,0,0,0|1,0,1]=3 535 B8R0.9 O=NN(O)CCC(=O)O Amb27495384 [1,0,0,0,0,0|3,0,0]=4 536 B8R0.28 C=C(C)CCCC(=O)O Amb2699907 [1,0,0,0,0,0|2,0,0]=3 537 B8R0.28 C=C(C)CCCC(C)=O Amb17739959 [1,0,0,0,0,0|3,0,0]=4 538 B8R0.28 C=C(C)CCCC(N)=O Amb27837767 [1,0,0,0,0,0|3,0,0]=4 539 B8R0.28 C=C(C)CSCC(=O)O Amb6280447 [1,0,0,0,0,0|3,0,0]=4 540 B8R0.28 C=C(Cl)CCCC(N)=O Amb27253854 [1,0,0,0,0,0|3,0,0]=4 541 B8R0.28 C=C(F)CCCC(=O)O Amb22641515 [1,0,0,0,0,0|2,0,0]=3 542 B8R0.28 CC(=O)CCCC(=O)O Amb1158049 [1,0,0,0,0,0|1,0,0]=2 543 B8R0.28 CC(=O)CCCC(C)=O Amb24093532 [1,0,0,0,0,0|2,0,0]=3 544 B8R0.28 CC(=O)CCCC(N)=O Amb25259665 [1,0,0,0,0,0|2,0,0]=3 545 B8R0.28 CC(=O)CCC[N+](=O)[O-] Amb18203187 [1,0,0,0,0,0|2,0,1]=4 546 B8R0.28 CC(=O)CCNC(C)=O Amb17102868 [1,0,0,0,0,0|3,0,0]=4 547 B8R0.28 CC(=O)CCOC(C)=O Amb4605918 [1,0,0,0,0,0|3,0,0]=4 548 B8R0.28 CC(=O)CSCC(=O)O Amb26415891 [1,0,0,0,0,0|2,0,0]=3 549 B8R0.28 CC(=O)CSCC(=O)[O-] Amb20622616 [1,0,0,0,0,0|2,0,1]=4 550 B8R0.28 CC(=O)CSCC(N)=O Amb27411260 [1,0,0,0,0,0|3,0,0]=4 551 B8R0.28 CC(=O)NCCC(=O)O Amb1104704 [1,0,0,0,0,0|2,0,0]=3 552 B8R0.28 CC(=O)NCCC(N)=O Amb8997734 [1,0,0,0,0,0|3,0,0]=4 553 B8R0.28 CC(=O)NCCS(=O)O Amb27638053 [1,0,0,0,0,0|3,0,0]=4 554 B8R0.28 CC(=O)NOCC(=O)O Amb25921073 [1,0,0,0,0,0|3,0,0]=4 555 B8R0.28 CC(=O)OCCC(=O)O Amb18642866 [1,0,0,0,0,0|2,0,0]=3 556 B8R0.28 CC(=O)OCCC(N)=O Amb25921090 [1,0,0,0,0,0|3,0,0]=4 557 B8R0.28 CC(=O)SCCC(=O)Cl Amb26637117 [1,0,0,0,0,0|3,0,0]=4 558 B8R0.28 CC(=O)SCCC(=O)O Amb17607685 [1,0,0,0,0,0|2,0,0]=3 559 B8R0.28 CC(=O)\C=C\CC(=O)O Amb26900226 [1,0,0,0,0,0|1,0,2]=4 560 B8R0.28 CC(C)=CCCC(=O)O Amb10601609 [1,0,0,0,0,0|2,0,1]=4 561 B8R0.28 CC(C)CCCC(=O)O Amb3941255 [1,0,0,0,0,0|2,0,1]=4 562 B8R0.28 CC(F)CCCC(=O)O Amb28144031 [1,0,0,0,0,0|2,0,1]=4 563 B8R0.28 CC(N)CCCC(=O)O Amb22059416 [1,0,0,0,0,0|2,0,1]=4 564 B8R0.28 CC(N)CCCC(=O)O Amb28934990 [1,0,0,0,0,0|2,0,1]=4 565 B8R0.28 CC(O)CCCC(=O)O Amb2371277 [1,0,0,0,0,0|1,0,1]=3 566 B8R0.28 CC(O)CCCC(=O)[O-] Amb17615415 [1,0,0,0,0,0|1,0,2]=4 567 B8R0.28 CC(O)CNCC(=O)O Amb9359979 [1,0,0,0,0,0|2,0,1]=4 568 B8R0.28 CC(O)COCC(=O)O Amb27968624 [1,0,0,0,0,0|2,0,1]=4 569 B8R0.28 CC(O)CSCC(=O)O Amb19005278 [1,0,0,0,0,0|2,0,1]=4 570 B8R0.28 CN(C)CCCC(=O)O Amb2716225 [1,0,0,0,0,0|3,0,0]=4 571 B8R0.28 CN(C)CCCC(=O)O Amb9176338 [1,0,0,0,0,0|3,0,0]=4 572 B8R0.28 C[NH+](C)CCCC(=O)O Amb9786711 [1,0,0,0,0,0|3,0,0]=4 573 B8R0.28 N=C(N)CSCC(=O)O Amb28040821 [1,0,0,0,0,0|3,0,0]=4 574 B8R0.28 N=C(N)NCCC(=O)O Amb3940732 [1,0,0,0,0,0|3,0,0]=4 575 B8R0.28 N=C(N)SCCC(=O)O Amb1043190 [1,0,0,0,0,0|3,0,0]=4 576 B8R0.28 NC(=O)CCCC(=O)O Amb5718388 [1,0,0,0,0,0|1,0,0]=2 577 B8R0.28 NC(=O)CCC[N+](=O)[O-] Amb22432425 [1,0,0,0,0,0|2,0,1]=4 578 B8R0.28 NC(=O)CCSC(N)=O Amb28045967 [1,0,0,0,0,0|3,0,0]=4 579 B8R0.28 NC(=O)CNCC(N)=O Amb6714597 [1,0,0,0,0,0|3,0,0]=4 580 B8R0.28 NC(=O)COCC(=O)O Amb3429648 [1,0,0,0,0,0|2,0,0]=3 581 B8R0.28 NC(=O)COCC(N)=O Amb4442013 [1,0,0,0,0,0|3,0,0]=4 582 B8R0.28 NC(=O)CSCC(=O)O Amb1128074 [1,0,0,0,0,0|2,0,0]=3 583 B8R0.28 NC(=O)CSCC(N)=O Amb6374270 [1,0,0,0,0,0|3,0,0]=4 584 B8R0.28 NC(=O)NCCC(=O)O Amb6567400 [1,0,0,0,0,0|2,0,0]=3 585 B8R0.28 NC(=O)NOCC(=O)O Amb28285979 [1,0,0,0,0,0|3,0,0]=4 586 B8R0.28 NC(=O)SCCC(=O)O Amb28340935 [1,0,0,0,0,0|2,0,0]=3 587 B8R0.28 NC(=S)CCCC(=O)O Amb27956588 [1,0,0,0,0,0|1,1,0]=3 588 B8R0.28 NC(=S)NCCC(=O)O Amb27815302 [1,0,0,0,0,0|2,1,0]=4 589 B8R0.28 NC(=S)SCCC(=O)O Amb4007391 [1,0,0,0,0,0|2,1,0]=4 590 B8R0.28 O=C(Cl)CCCC(=O)Cl Amb3940242 [1,0,0,0,0,0|2,0,0]=3 591 B8R0.28 O=C(Cl)COCC(=O)Cl Amb22228240 [1,0,0,0,0,0|3,0,0]=4 592 B8R0.28 O=C(O)C=C=CC(=O)O Amb17593335 [1,0,0,0,0,0|0,0,3]=4 593 B8R0.28 O=C(O)CCCC(=O)O Amb4037276 [1,0,0,0,0,0|0,0,0]=1 594 B8R0.28 O=C(O)CCCC(F)F Amb24117996 [1,0,0,0,0,0|2,0,1]=4 595 B8R0.28 O=C(O)CCCN(Cl)Cl Amb28313437 [1,0,0,0,0,0|3,0,0]=4 596 B8R0.28 O=C(O)CCC[N+](=O)[O-] Amb24711043 [1,0,0,0,0,0|1,0,1]=3 597 B8R0.28 O=C(O)CCO[N+](=O)[O-] Amb21953424 [1,0,0,0,0,0|2,0,1]=4 598 B8R0.28 O=C(O)CNCC(=O)O Amb3940364 [1,0,0,0,0,0|1,0,0]=2 599 B8R0.28 O=C(O)COCC(=O)O Amb4433967 [1,0,0,0,0,0|1,0,0]=2 600 B8R0.28 O=C(O)CSCC(=O)O Amb6608738 [1,0,0,0,0,0|1,0,0]=2 601 B8R0.28 O=C(O)\C=C/CC(=O)O Amb27882014 [1,0,0,0,0,0|0,0,2]=3 602 B8R0.28 O=C(O)\C=C\CC(=O)O Amb1154189 [1,0,0,0,0,0|0,0,2]=3 603 B8R0.28 O=C([O-])COCC(=O)O Amb9787328 [1,0,0,0,0,0|1,0,1]=3 604 B10R0.12 CC(C)(C)C(N)CCC(=O)O Amb26083275 [0,1,0,0,0,0|2,0,1]=4 605 B10R0.12 CC(C)(F)C(N)CCC(=O)O Amb33273017 [0,1,0,0,0,0|2,0,1]=4 606 B10R0.12 CC(CCC(=O)O)S(C)(=O)=O Amb27271170 [0,1,0,0,0,0|2,0,1]=4 607 B10R0.12 CC(F)(F)C(N)CCC(=O)O Amb32810095 [0,1,0,0,0,0|2,0,1]=4 608 B10R0.12 NC(CCC(=O)O)C(F)(F)F Amb32665989 [0,1,0,0,0,0|2,0,1]=4 609 B10R0.12 NC(CCC(=O)O)C(F)(F)F Amb8396727 [0,1,0,0,0,0|2,0,1]=4 610 B10R0.12 NC(CCC(=O)O)P(=O)(O)O Amb28388181 [0,1,0,0,0,0|1,0,0]=2 611 B10R0.12 N[C@@H](CCC(=O)O)C(F)(F)F Amb24754809 [0,1,0,0,0,0|2,0,1]=4 612 B10R0.13 CC(=O)C(C)C(C)CC(=O)O Amb18645031 [0,1,0,0,0,0|2,0,0]=3 613 B10R0.13 CC(=O)CC(C)C(C)C(=O)O Amb18126130 [0,1,0,0,0,0|2,0,0]=3 614 B10R0.13 CC(=O)CC(C)C(Cl)C(C)=O Amb27990141 [0,1,0,0,0,0|3,0,0]=4 615 B10R0.13 CC(=O)N(C)C(C)CC(=O)O Amb18224393 [0,1,0,0,0,0|3,0,0]=4 616 B10R0.13 CC(=O)NC(C)C(C)C(=O)O Amb28137397 [0,1,0,0,0,0|3,0,0]=4 617 B10R0.13 CC(=O)N[C@@H](C)[C@H](O)C(=O)O Amb27477763 [0,1,0,0,0,0|3,0,0]=4 618 B10R0.13 CC(=O)OC(C)C(N)C(=O)O Amb25385009 [0,1,0,0,0,0|2,0,0]=3 619 B10R0.13 CC(=O)O[C@@H](C)[C@@H](N)C(=O)O Amb22747815 [0,1,0,0,0,0|2,0,0]=3 620 B10R0.13 CC(=O)O[C@H](C)[C@H](N)C(=O)O Amb27272567 [0,1,0,0,0,0|2,0,0]=3 621 B10R0.13 CC(C(=O)O)S(=O)CC(N)=O Amb18304636 [0,1,0,0,0,0|3,0,0]=4 622 B10R0.13 CC(C(N)=O)S(=O)CC(=O)O Amb18305129 [0,1,0,0,0,0|3,0,0]=4 623 B10R0.13 CC(C)CC(C)C(N)C(=O)O Amb25384855 [0,1,0,0,0,0|2,0,1]=4 624 B10R0.13 CC(C)CC(C)C(N)C(=O)O Amb33329315 [0,1,0,0,0,0|2,0,1]=4 625 B10R0.13 CC(C)CC(C)[C@@H](N)C(=O)O Amb27671005 [0,1,0,0,0,0|2,0,1]=4 626 B10R0.13 CC(C)CC(C)[C@H](N)C(=O)O Amb27671004 [0,1,0,0,0,0|2,0,1]=4 627 B10R0.13 CC(C)CC(O)C(N)C(=O)O Amb26992515 [0,1,0,0,0,0|2,0,1]=4 628 B10R0.13 CC(C)C[C@@H](O)[C@@H](N)C(=O)O Amb27990182 [0,1,0,0,0,0|2,0,1]=4 629 B10R0.13 CC(C)C[C@@H](O)[C@H](N)C(=O)O Amb27990181 [0,1,0,0,0,0|2,0,1]=4 630 B10R0.13 CC(C)C[C@H](O)[C@H](N)C(=O)O Amb27271131 [0,1,0,0,0,0|2,0,1]=4 631 B10R0.13 CC(CC(=O)O)C(C)C(=O)O Amb4009129 [0,1,0,0,0,0|1,0,0]=2 632 B10R0.13 CC(CC(=O)O)C(N)C(=O)O Amb23440872 [0,1,0,0,0,0|0,0,0]=1 633 B10R0.13 CC(CC(=O)O)C(N)C(N)=O Amb27989322 [0,1,0,0,0,0|1,0,0]=2 634 B10R0.13 CC(CC(=O)O)N(C)C(N)=O Amb18830285 [0,1,0,0,0,0|3,0,0]=4 635 B10R0.13 CC(CC(=O)O)[C@H](N)C(=O)O Amb26990553 [0,1,0,0,0,0|0,0,0]=1 636 B10R0.13 CC(CC(N)=O)C(N)C(=O)O Amb27989323 [0,1,0,0,0,0|1,0,0]=2 637 B10R0.13 CC(CN(C)C)C(N)C(=O)O Amb33066048 [0,1,0,0,0,0|3,0,0]=4 638 B10R0.13 CC(CN(C)C)[C@@H](N)C(=O)O Amb33036586 [0,1,0,0,0,0|3,0,0]=4 639 B10R0.13 CC(CN(C)C)[C@H](N)C(=O)O Amb33066275 [0,1,0,0,0,0|3,0,0]=4 640 B10R0.13 CC(NC(=N)N)C(N)C(=O)O Amb28239770 [0,1,0,0,0,0|3,0,0]=4 641 B10R0.13 CC(OC(N)=O)C(N)C(=O)O Amb26082810 [0,1,0,0,0,0|2,0,0]=3 642 B10R0.13 CN(CC(=O)O)C(=O)C(=O)O Amb26660524 [0,1,0,0,0,0|2,0,1]=4 643 B10R0.13 C[C@@H](CC(=O)O)[C@@H](N)C(=O)O Amb19133152 [0,1,0,0,0,0|0,0,0]=1 644 B10R0.13 C[C@@H](CC(=O)O)[C@H](N)C(=O)O Amb28388115 [0,1,0,0,0,0|0,0,0]=1 645 B10R0.13 C[C@H](CC(=O)O)[C@@H](N)C(=O)O Amb28388114 [0,1,0,0,0,0|0,0,0]=1 646 B10R0.13 C[C@H](O)[C@H](O)[C@@H](O)CC(=O)O Amb27990155 [0,1,0,0,0,0|2,0,1]=4 647 B10R0.13 C\C(=C/C(=O)O)C(O)C(=O)O Amb28119844 [0,1,0,0,0,0|1,0,2]=4 648 B10R0.13 C\C(C(=O)O)=C(\Cl)CC(=O)O Amb28077775 [0,1,0,0,0,0|1,0,2]=4 649 B10R0.13 NC(=O)CC(O)C(N)C(N)=O Amb28080520 [0,1,0,0,0,0|2,0,0]=3 650 B10R0.13 NC(=O)C[C@@H](O)[C@@H](N)C(=O)O Amb27990186 [0,1,0,0,0,0|1,0,0]=2 651 B10R0.13 NC(=O)[C@@H](N)[C@H](O)CC(=O)O Amb27990184 [0,1,0,0,0,0|1,0,0]=2 652 B10R0.13 NC(=O)[C@H](N)[C@H](O)CC(=O)O Amb27990185 [0,1,0,0,0,0|1,0,0]=2 653 B10R0.13 NC(C(=O)O)C(O)CC(=O)O Amb25383245 [0,1,0,0,0,0|0,0,0]=1 654 B10R0.13 NC(C(=O)O)\C(Cl)=C\C(=O)O Amb24374819 [0,1,0,0,0,0|0,0,2]=3 655 B10R0.13 NC(CC(=O)O)C(O)C(=O)O Amb26083654 [0,1,0,0,0,0|1,0,0]=2 656 B10R0.13 NC(CC(=O)O)[C@H](N)C(=O)O Amb24764806 [0,1,0,0,0,0|0,0,0]=1 657 B10R0.13 N[C@@H](C(=O)O)[C@@H](O)CC(=O)O Amb27990015 [0,1,0,0,0,0|0,0,0]=1 658 B10R0.13 N[C@H](C(=O)O)C(F)CC(=O)O Amb26083316 [0,1,0,0,0,0|0,0,0]=1 659 B10R0.13 O=C(O)CC(Br)C(=O)C(=O)O Amb33756838 [0,1,0,0,0,0|1,0,1]=3 660 B10R0.43 CC(=O)C(C)(C)CCC(=O)O Amb18126156 [0,1,0,0,0,0|2,0,0]=3 661 B10R0.43 CC(=O)C(C)(C)SCC(=O)O Amb27990168 [0,1,0,0,0,0|3,0,0]=4 662 B10R0.43 CC(=O)CCC(C)(C)C(=O)O Amb18645019 [0,1,0,0,0,0|2,0,0]=3 663 B10R0.43 CC(=O)CCC(C)(C)C(C)=O Amb27269948 [0,1,0,0,0,0|3,0,0]=4 664 B10R0.43 CC(=O)CCC(C)(N)C(N)=O Amb27989320 [0,1,0,0,0,0|2,0,0]=3 665 B10R0.43 CC(=O)NCC(C)(C)C(=O)O Amb33548160 [0,1,0,0,0,0|3,0,0]=4 666 B10R0.43 CC(=O)NCC(C)(O)C(=O)O Amb28044387 [0,1,0,0,0,0|3,0,0]=4 667 B10R0.43 CC(=O)NCC(F)(F)C(=O)O Amb27840273 [0,1,0,0,0,0|3,0,0]=4 668 B10R0.43 CC(=O)OCC(C)(C)C(=O)O Amb27269198 [0,1,0,0,0,0|3,0,0]=4 669 B10R0.43 CC(=O)SCC(C)(C)C(=O)O Amb27818773 [0,1,0,0,0,0|3,0,0]=4 670 B10R0.43 CC(C)(CCC(=O)Cl)C(=O)Cl Amb26998072 [0,1,0,0,0,0|3,0,0]=4 671 B10R0.43 CC(C)(CCC(=O)O)C(=O)O Amb2721065 [0,1,0,0,0,0|1,0,0]=2 672 B10R0.43 CC(C)(CCC(=O)O)[N+](=O)[O-] Amb6740295 [0,1,0,0,0,0|2,0,1]=4 673 B10R0.43 CC(C)(CNC(N)=O)C(=O)O Amb27401824 [0,1,0,0,0,0|3,0,0]=4 674 B10R0.43 CC(C)(NCC(=O)O)C(=O)O Amb27000181 [0,1,0,0,0,0|2,0,0]=3 675 B10R0.43 CC(C)(NCC(=O)O)C(N)=O Amb18306310 [0,1,0,0,0,0|3,0,0]=4 676 B10R0.43 CC(C)(NCC(N)=O)C(=O)O Amb18306733 [0,1,0,0,0,0|3,0,0]=4 677 B10R0.43 CC(C)(SCC(=O)O)C(=O)O Amb17501462 [0,1,0,0,0,0|2,0,0]=3 678 B10R0.43 CC(C)(SCC(N)=O)C(=O)O Amb17501450 [0,1,0,0,0,0|3,0,0]=4 679 B10R0.43 CC(C)=CCC(C)(N)C(=O)O Amb27176549 [0,1,0,0,0,0|2,0,1]=4 680 B10R0.43 CC(C)C(C)(N)CCC(=O)O Amb33036395 [0,1,0,0,0,0|2,0,1]=4 681 B10R0.43 CC(C)CCC(C)(N)C(=O)O Amb4134835 [0,1,0,0,0,0|2,0,1]=4 682 B10R0.43 CC(C)CCC(C)(N)C(=O)O Amb7969761 [0,1,0,0,0,0|2,0,1]=4 683 B10R0.43 CC(N)(CCC(=O)O)C(=O)O Amb22801426 [0,1,0,0,0,0|0,0,0]=1 684 B10R0.43 CC(N)(CCC(=O)O)C(=O)O Amb3940869 [0,1,0,0,0,0|0,0,0]=1 685 B10R0.43 CC(N)(\C=C\C(=O)O)C(=O)O Amb27401910 [0,1,0,0,0,0|0,0,2]=3 686 B10R0.43 CC(O)CCC(C)(C)C(=O)O Amb28387125 [0,1,0,0,0,0|2,0,1]=4 687 B10R0.43 CN(C)CCC(C)(N)C(=O)O Amb18800387 [0,1,0,0,0,0|3,0,0]=4 688 B10R0.43 CN(O)CCC(C)(C)C(=O)O Amb28079719 [0,1,0,0,0,0|3,0,0]=4 689 B10R0.43 C[C@@](N)(CCC(=O)O)C(=O)O Amb8629033 [0,1,0,0,0,0|0,0,0]=1 690 B10R0.43 C[C@](N)(CCC(=O)O)C(=O)O Amb8629032 [0,1,0,0,0,0|0,0,0]=1 691 B10R0.43 NC(=O)C(N)(O)CCC(=O)O Amb28080506 [0,1,0,0,0,0|1,0,0]=2 692 B10R0.43 NC(=O)C(O)(Cl)CCC(=O)O Amb27990215 [0,1,0,0,0,0|2,0,0]=3 693 B10R0.43 NC(=O)CCC(N)(F)C(=O)O Amb10839407 [0,1,0,0,0,0|1,0,0]=2 694 B10R0.43 NC(N)(CCC(=O)O)C(=O)O Amb26076861 [0,1,0,0,0,0|0,0,0]=1 695 B10R0.43 O=C(O)CCC(F)(F)C(=O)O Amb22263070 [0,1,0,0,0,0|1,0,0]=2 696 B10R0.43 O=C(O)CCC(O)(O)C(=O)O Amb27271130 [0,1,0,0,0,0|1,0,0]=2 697 B10R0.57 C#CC(=O)N(C)CCC(=O)O Amb18984978 [0,1,0,0,0,0|3,0,0]=4 698 B10R0.57 C=C(C)CCC(N)C(=O)OC Amb33309178 [0,1,0,0,0,0|2,0,0]=3 699 B10R0.57 CCC(=O)N(C)CCC(=O)O Amb17400039 [0,1,0,0,0,0|3,0,0]=4 700 B10R0.57 CCC(C)C(N)CCC(=O)O Amb33172378 [0,1,0,0,0,0|2,0,1]=4 701 B10R0.57 CC[C@H](C)[C@@H](N)CCC(=O)O Amb30526641 [0,1,0,0,0,0|2,0,1]=4 702 B10R0.57 CNC(=O)C(C)NCC(=O)O Amb9325887 [0,1,0,0,0,0|3,0,0]=4 703 B10R0.57 CNC(=O)C(C)SCC(=O)O Amb9203226 [0,1,0,0,0,0|3,0,0]=4 704 B10R0.57 CNC(=O)C(N)CCC(=O)O Amb27987066 [0,1,0,0,0,0|1,0,0]=2 705 B10R0.57 CNC(=O)N(C)CCC(=O)O Amb18977475 [0,1,0,0,0,0|3,0,0]=4 706 B10R0.57 CNC(=O)[C@@H](N)CCC(=O)O Amb27671844 [0,1,0,0,0,0|1,0,0]=2 707 B10R0.57 COC(=O)C(C)CNC(C)=O Amb25385897 [0,1,0,0,0,0|3,0,0]=4 708 B10R0.57 COC(=O)C(Cl)CSC(C)=O Amb33620490 [0,1,0,0,0,0|3,0,0]=4 709 B10R0.57 COC(=O)C(N)CC=C(C)C Amb26077073 [0,1,0,0,0,0|2,0,1]=4 710 B10R0.57 COC(=O)C(N)CC=C(Cl)Cl Amb33036714 [0,1,0,0,0,0|2,0,1]=4 711 B10R0.57 COC(=O)C(N)CCC(C)=O Amb32645698 [0,1,0,0,0,0|1,0,0]=2 712 B10R0.57 COC(=O)C(N)CCC(C)C Amb32645736 [0,1,0,0,0,0|2,0,1]=4 713 B10R0.57 COC(=O)C(N)CCC(C)C Amb33339193 [0,1,0,0,0,0|2,0,1]=4 714 B10R0.57 COC(=O)C(N)CCC(C)O Amb33065655 [0,1,0,0,0,0|1,0,1]=3 715 B10R0.57 COC(=O)C(N)CCC(N)=O Amb32752608 [0,1,0,0,0,0|1,0,0]=2 716 B10R0.57 COC(=O)C(N)CCN(C)C Amb18787991 [0,1,0,0,0,0|3,0,0]=4 717 B10R0.57 COC(=O)C(N)CCS(C)=O Amb18648234 [0,1,0,0,0,0|2,0,0]=3 718 B10R0.57 COC(=O)C(N)COC(C)=O Amb33803614 [0,1,0,0,0,0|2,0,0]=3 719 B10R0.57 COC(=O)C(O)CNC(C)=O Amb27672462 [0,1,0,0,0,0|3,0,0]=4 720 B10R0.57 COC(=O)[C@@H](N)CCC(=O)O Amb8390399 [0,1,0,0,0,0|0,0,0]=1 721 B10R0.57 COC(=O)[C@@H](N)CCC(N)=O Amb8629195 [0,1,0,0,0,0|1,0,0]=2 722 B10R0.57 COC(=O)[C@@H](N)CCS(C)=O Amb33802381 [0,1,0,0,0,0|2,0,0]=3 723 B10R0.57 COC(=O)[C@@H](N)CNC(C)=O Amb27990246 [0,1,0,0,0,0|2,0,0]=3 724 B10R0.57 COC(=O)[C@@H](N)CNC(N)=O Amb27989967 [0,1,0,0,0,0|2,0,0]=3 725 B10R0.57 COC(=O)[C@H](Cl)CNC(C)=O Amb27989995 [0,1,0,0,0,0|3,0,0]=4 726 B10R0.57 COC(=O)[C@H](N)CCC(=O)O Amb33801734 [0,1,0,0,0,0|0,0,0]=1 727 B10R0.57 COC(=O)[C@H](N)CCC(=O)O Amb33866552 [0,1,0,0,0,0|0,0,0]=1 728 B10R0.57 COC(=O)[C@H](N)CCC(=O)[O-] Amb34915024 [0,1,0,0,0,0|0,0,1]=2 729 B10R0.57 COC(=O)[C@H](N)CCC(C)C Amb31295689 [0,1,0,0,0,0|2,0,1]=4 730 B10R0.57 COC(=O)[C@H](N)CCC(N)=O Amb8629196 [0,1,0,0,0,0|1,0,0]=2 731 B10R0.57 C\C(=N/O)C(=O)CCC(=O)O Amb27673716 [0,1,0,0,0,0|2,0,1]=4 732 B10R0.57 NC(CCC(=O)O)C(=O)NO Amb27987067 [0,1,0,0,0,0|0,0,0]=1 733 B10R0.57 NNC(=O)C(N)CCC(=O)O Amb27987068 [0,1,0,0,0,0|1,0,0]=2 734 B10R0.57 NNC(=O)C(N)CCC(N)=O Amb27988668 [0,1,0,0,0,0|2,0,0]=3 735 B10R0.57 O=C(O)CNC(=O)C(=O)CO Amb27988470 [0,1,0,0,0,0|2,0,1]=4 736 B10R0.82 C#CC(=O)NCC(N)C(=O)O Amb27792858 [0,1,0,0,0,0|2,0,0]=3 737 B10R0.82 C#CC(=O)NC[C@H](N)C(=O)O Amb25210877 [0,1,0,0,0,0|2,0,0]=3 738 B10R0.82 C#CC(=O)NC[C@H](O)C(=O)O Amb27751159 [0,1,0,0,0,0|3,0,0]=4 739 B10R0.82 C#CC(N)CCC(N)C(=O)O Amb24762938 [0,1,0,0,0,0|2,0,1]=4 740 B10R0.82 C=C(C)C(N)CCC(=O)OC Amb33199520 [0,1,0,0,0,0|2,0,0]=3 741 B10R0.82 C=C(CCC(=O)OC)C(=O)O Amb30584741 [0,1,0,0,0,0|1,0,1]=3 742 B10R0.82 C=C(CCC(=O)OC)C(=O)[O-] Amb34916645 [0,1,0,0,0,0|1,0,2]=4 743 B10R0.82 C=CC(=O)NC[C@H](N)C(=O)O Amb27674138 [0,1,0,0,0,0|2,0,0]=3 744 B10R0.82 CC(N\C=C(/O)C=O)C(=O)O Amb28198008 [0,1,0,0,0,0|2,0,1]=4 745 B10R0.82 CCC(=O)NC[C@H](O)C(=O)O Amb27670709 [0,1,0,0,0,0|3,0,0]=4 746 B10R0.82 CCN(C)CC[C@@H](N)C(=O)O Amb32698166 [0,1,0,0,0,0|3,0,0]=4 747 B10R0.82 CNC(=O)CCC(N)C(=O)O Amb18645293 [0,1,0,0,0,0|1,0,0]=2 748 B10R0.82 CNC(=O)CO[C@@H](C)C(=O)O Amb27986317 [0,1,0,0,0,0|3,0,0]=4 749 B10R0.82 CNC(=O)CSC(C)C(=O)O Amb6257259 [0,1,0,0,0,0|3,0,0]=4 750 B10R0.82 CNC(=O)NCC(C)C(=O)O Amb18300018 [0,1,0,0,0,0|3,0,0]=4 751 B10R0.82 CNC(=O)SC[C@H](N)C(=O)O Amb17617278 [0,1,0,0,0,0|2,0,0]=3 752 B10R0.82 COC(=O)CCC(Br)C(=O)O Amb18134592 [0,1,0,0,0,0|1,0,0]=2 753 B10R0.82 COC(=O)CCC(Cl)C(=O)O Amb32941125 [0,1,0,0,0,0|1,0,0]=2 754 B10R0.82 COC(=O)CCC(N)C(=O)O Amb9825413 [0,1,0,0,0,0|0,0,0]=1 755 B10R0.82 COC(=O)CCC(N)C(C)C Amb33079135 [0,1,0,0,0,0|2,0,1]=4 756 B10R0.82 COC(=O)CCC(N)C(N)=O Amb31291204 [0,1,0,0,0,0|1,0,0]=2 757 B10R0.82 COC(=O)CCC(O)C(=O)O Amb32941120 [0,1,0,0,0,0|1,0,0]=2 758 B10R0.82 COC(=O)CCN(C)C(=O)Cl Amb33296793 [0,1,0,0,0,0|3,0,0]=4 759 B10R0.82 COC(=O)CC[C@@H](N)C(=O)O Amb16183875 [0,1,0,0,0,0|0,0,0]=1 760 B10R0.82 COC(=O)CC[C@@H](N)C(=O)O Amb22746068 [0,1,0,0,0,0|0,0,0]=1 761 B10R0.82 COC(=O)CC[C@H](N)C(=O)O Amb2720571 [0,1,0,0,0,0|0,0,0]=1 762 B10R0.82 COC(=O)CC[C@H](N)C(=O)[O-] Amb34916015 [0,1,0,0,0,0|0,0,1]=2 763 B10R0.82 COC(=O)CC[C@H](N)C(N)=O Amb22432474 [0,1,0,0,0,0|1,0,0]=2 764 B10R0.82 COC(=O)CC[C@H](N)C(N)=O Amb34916457 [0,1,0,0,0,0|1,0,0]=2 765 B10R0.82 COC(=O)CNC(C)C(N)=O Amb9203719 [0,1,0,0,0,0|3,0,0]=4 766 B10R0.82 COC(=O)NCC(N)C(C)O Amb27271725 [0,1,0,0,0,0|2,0,1]=4 767 B10R0.82 COC(=O)NC[C@H](O)C(=O)O Amb27670721 [0,1,0,0,0,0|2,0,0]=3 768 B10R0.82 NC(CCC(=O)NO)C(=O)O Amb22350145 [0,1,0,0,0,0|0,0,0]=1 769 B10R0.82 NC(CC[PH](=O)CO)C(=O)[O-] Amb22167951 [0,1,0,0,0,0|1,0,1]=3 770 B10R0.82 NC(CF)CCC(N)C(=O)O Amb31030977 [0,1,0,0,0,0|2,0,1]=4 771 B10R0.82 NC(CF)CCC(N)C(=O)O Amb33204489 [0,1,0,0,0,0|2,0,1]=4 772 B10R0.82 NC(CNC(=O)C=O)C(=O)O Amb26082139 [0,1,0,0,0,0|1,0,1]=3 773 B10R0.82 NC(CNC(=O)CCl)C(=O)O Amb27990068 [0,1,0,0,0,0|2,0,0]=3 774 B10R0.82 NC(CS\C(Cl)=C\Cl)C(=O)O Amb27818529 [0,1,0,0,0,0|3,0,0]=4 775 B10R0.82 NCC(F)CCC(N)C(=O)O Amb10839781 [0,1,0,0,0,0|2,0,1]=4 776 B10R0.82 NCC(O)CCC(N)C(=O)O Amb2720125 [0,1,0,0,0,0|1,0,1]=3 777 B10R0.82 NCC(O)CCC(N)C(=O)O Amb9809250 [0,1,0,0,0,0|1,0,1]=3 778 B10R0.82 NCC(O)CC[C@H](N)C(=O)O Amb34175411 [0,1,0,0,0,0|1,0,1]=3 779 B10R0.82 NC[C@@H](O)CC[C@H](N)C(=O)O Amb24117040 [0,1,0,0,0,0|1,0,1]=3 780 B10R0.82 NC[C@H](O)CC[C@@H](N)C(=O)O Amb33802991 [0,1,0,0,0,0|1,0,1]=3 781 B10R0.82 NC[C@H](O)CC[C@@H](N)C(=O)O Amb33804786 [0,1,0,0,0,0|1,0,1]=3 782 B10R0.82 NC[C@H](O)CC[C@H](N)C(=O)O Amb22747912 [0,1,0,0,0,0|1,0,1]=3 783 B10R0.82 NC[C@H](O)CC[C@H](N)C(=O)O Amb24121192 [0,1,0,0,0,0|1,0,1]=3 784 B10R0.82 NC[C@H](O)CC[C@H](N)C(=O)O Amb35788437 [0,1,0,0,0,0|1,0,1]=3 785 B10R0.82 NNC(=O)CCC(N)C(=O)O Amb6366546 [0,1,0,0,0,0|1,0,0]=2 786 B10R0.82 NNC(=O)CC[C@H](N)C(=O)O Amb25379957 [0,1,0,0,0,0|1,0,0]=2 787 B10R0.82 N[C@@H](CCC(=O)NO)C(=O)O Amb27269199 [0,1,0,0,0,0|0,0,0]=1 788 B10R0.82 N[C@@H](CS\C(Cl)=C\Cl)C(=O)O Amb27671445 [0,1,0,0,0,0|3,0,0]=4 789 B10R0.82 N[C@@H](C\C=C(/Cl)CO)C(=O)O Amb27988484 [0,1,0,0,0,0|1,0,1]=3 790 B10R0.82 N\C(=N/O)NCC(N)C(=O)O Amb28182515 [0,1,0,0,0,0|2,0,0]=3 791 B10R0.82 O=C(CCl)NCC(O)C(=O)O Amb27990120 [0,1,0,0,0,0|3,0,0]=4 792 B10R0.84 CC(=O)CCC(=[N+]=[N-])C(=O)O Amb26083624 [0,1,0,0,0,0|1,0,2]=4 793 B10R0.84 CCC(SCC(=O)O)C(=O)O Amb17501325 [0,1,0,0,0,0|2,0,0]=3 794 B10R0.84 CCC(SCC(N)=O)C(=O)O Amb17501319 [0,1,0,0,0,0|3,0,0]=4 795 B10R0.84 CN(C)CCC(CN)C(=O)O Amb33272650 [0,1,0,0,0,0|3,0,0]=4 796 B10R0.84 CN[C@@H](CCC(=O)O)C(=O)O Amb13884885 [0,1,0,0,0,0|0,0,0]=1 797 B10R0.84 CN[C@@H](CCC(=O)O)C(=O)O Amb24117978 [0,1,0,0,0,0|0,0,0]=1 798 B10R0.84 COC(CNC(C)=O)C(=O)O Amb27269110 [0,1,0,0,0,0|3,0,0]=4 799 B10R0.84 COC(CNC(N)=O)C(=O)O Amb27269111 [0,1,0,0,0,0|3,0,0]=4 800 B10R0.84 N#CC(CCC(=O)O)C(=O)O Amb27990272 [0,1,0,0,0,0|0,0,1]=2 801 B10R0.92 CC(=O)C(N)CCS(C)(=O)=O Amb5716772 [0,1,0,0,0,0|2,0,1]=4 802 B10R0.92 CC(C)(C)CCC(N)C(=O)O Amb18307415 [0,1,0,0,0,0|2,0,1]=4 803 B10R0.92 CC(C)(C)CCC(N)C(=O)O Amb32882445 [0,1,0,0,0,0|2,0,1]=4 804 B10R0.92 CC(C)(C)CC[C@@H](N)C(=O)O Amb25383852 [0,1,0,0,0,0|2,0,1]=4 805 B10R0.92 CC(C)(C)CC[C@H](N)C(=O)O Amb28386947 [0,1,0,0,0,0|2,0,1]=4 806 B10R0.92 CC(C)(O)CCC(N)C(=O)O Amb26659578 [0,1,0,0,0,0|1,0,1]=3 807 B10R0.92 CC(C)(O)CCC(N)C(N)=O Amb33036734 [0,1,0,0,0,0|2,0,1]=4 808 B10R0.92 CC(C)(O)CC[C@@H](N)C(=O)O Amb33036146 [0,1,0,0,0,0|1,0,1]=3 809 B10R0.92 CC(C)(O)CC[C@H](N)C(=O)O Amb26659762 [0,1,0,0,0,0|1,0,1]=3 810 B10R0.92 CC(CCC(C)(C)O)C(=O)O Amb27986533 [0,1,0,0,0,0|2,0,1]=4 811 B10R0.92 CC(CCS(C)(=O)=O)C(=O)O Amb18305099 [0,1,0,0,0,0|2,0,1]=4 812 B10R0.92 CC(F)(F)CCC(N)C(=O)O Amb27990024 [0,1,0,0,0,0|2,0,1]=4 813 B10R0.92 CC(F)(F)CC[C@@H](N)C(=O)O Amb25383712 [0,1,0,0,0,0|2,0,1]=4 814 B10R0.92 CP(=O)(O)CCC(=O)C(=O)O Amb27271033 [0,1,0,0,0,0|2,0,1]=4 815 B10R0.92 CP(=O)(O)CCC(N)C(=O)O Amb4424634 [0,1,0,0,0,0|1,0,0]=2 816 B10R0.92 CP(=O)(O)CCC(O)C(=O)O Amb27000184 [0,1,0,0,0,0|2,0,0]=3 817 B10R0.92 CP(=O)(O)CC[C@H](N)C(=O)O Amb27001058 [0,1,0,0,0,0|1,0,0]=2 818 B10R0.92 CP(=O)(O)CC[C@H](N)C(N)=O Amb27671698 [0,1,0,0,0,0|2,0,0]=3 819 B10R0.92 CP(C)(=O)CC[C@H](N)C(=O)O Amb27671929 [0,1,0,0,0,0|2,0,0]=3 820 B10R0.92 CS(=N)(=O)CCC(N)C(=O)O Amb2747058 [0,1,0,0,0,0|2,0,0]=3 821 B10R0.92 CS(=N)(=O)CC[C@H](N)C(=O)O Amb8514715 [0,1,0,0,0,0|2,0,0]=3 822 B10R0.92 CS(=O)(=O)CCC(N)C(=O)O Amb1905637 [0,1,0,0,0,0|1,0,1]=3 823 B10R0.92 CS(=O)(=O)CCC(N)C(N)=O Amb6261914 [0,1,0,0,0,0|2,0,1]=4 824 B10R0.92 CS(=O)(=O)CCC(N)C(N)=O Amb9178007 [0,1,0,0,0,0|2,0,1]=4 825 B10R0.92 CS(=O)(=O)CCC(O)C(=O)O Amb18129022 [0,1,0,0,0,0|2,0,1]=4 826 B10R0.92 CS(=O)(=O)CC[C@@H](N)C(=O)O Amb22745329 [0,1,0,0,0,0|1,0,1]=3 827 B10R0.92 CS(=O)(=O)CC[C@H](N)C(=O)O Amb9809971 [0,1,0,0,0,0|1,0,1]=3 828 B10R0.92 CS(C)(Cl)CCC(N)C(=O)O Amb25384324 [0,1,0,0,0,0|3,0,0]=4 829 B10R0.92 C[S@@](=N)(=O)CC[C@H](N)C(=O)O Amb17616898 [0,1,0,0,0,0|2,0,0]=3 830 B10R0.92 C[S@](=N)(=O)CC[C@H](N)C(=O)O Amb17616899 [0,1,0,0,0,0|2,0,0]=3 831 B10R0.92 C[SH](=N)(O)CCC(N)C(=O)O Amb27673254 [0,1,0,0,0,0|2,0,0]=3 832 B10R0.92 NC(C#CP(=O)(O)O)C(=O)O Amb27969693 [0,1,0,0,0,0|1,0,2]=4 833 B10R0.92 NC(CCC(F)(F)Cl)C(=O)O Amb33308947 [0,1,0,0,0,0|2,0,1]=4 834 B10R0.92 NC(CCC(F)(F)F)C(=O)O Amb2732192 [0,1,0,0,0,0|2,0,1]=4 835 B10R0.92 NC(CCC(F)(F)F)C(=O)O Amb28652882 [0,1,0,0,0,0|2,0,1]=4 836 B10R0.92 NC(CCP(=O)(O)O)C(=O)O Amb542828 [0,1,0,0,0,0|1,0,0]=2 837 B10R0.92 NC(CCS(=O)(=O)Cl)C(=O)O Amb28079864 [0,1,0,0,0,0|1,0,1]=3 838 B10R0.92 NC(CCS(=O)(=O)O)C(=O)O Amb3940449 [0,1,0,0,0,0|1,0,0]=2 839 B10R0.92 NC(CCS(=O)(=O)S)C(=O)O Amb27990225 [0,1,0,0,0,0|1,0,1]=3 840 B10R0.92 NC(CCS(N)(=O)=O)C(=O)O Amb27271128 [0,1,0,0,0,0|1,0,1]=3 841 B10R0.92 NC(COP(=O)(O)O)C(=O)O Amb6334849 [0,1,0,0,0,0|2,0,0]=3 842 B10R0.92 NC(CSS(=O)(=O)O)C(=O)O Amb25384388 [0,1,0,0,0,0|2,0,0]=3 843 B10R0.92 N[C@@H](CCC(F)(F)Cl)C(=O)O Amb33036981 [0,1,0,0,0,0|2,0,1]=4 844 B10R0.92 N[C@@H](CCC(F)(F)F)C(=O)O Amb19889289 [0,1,0,0,0,0|2,0,1]=4 845 B10R0.92 N[C@@H](CCC(F)(F)F)C(=O)O Amb33331073 [0,1,0,0,0,0|2,0,1]=4 846 B10R0.92 N[C@@H](CCP(=O)(O)O)C(=O)O Amb30666599 [0,1,0,0,0,0|1,0,0]=2 847 B10R0.92 N[C@@H](CCP(=O)(O)O)C(=O)O Amb544255 [0,1,0,0,0,0|1,0,0]=2 848 B10R0.92 N[C@@H](CCP(O)(O)=S)C(=O)O Amb19929411 [0,1,0,0,0,0|1,0,1]=3 849 B10R0.92 N[C@@H](COP(=O)(O)O)C(=O)O Amb6600024 [0,1,0,0,0,0|2,0,0]=3 850 B10R0.92 N[C@@H](COS(=O)(=O)O)C(=O)O Amb22800081 [0,1,0,0,0,0|2,0,0]=3 851 B10R0.92 N[C@@H](CSP(=O)(O)O)C(=O)O Amb25385816 [0,1,0,0,0,0|2,0,0]=3 852 B10R0.92 N[C@@H](CSS(=O)(=O)O)C(=O)O Amb22348198 [0,1,0,0,0,0|2,0,0]=3 853 B10R0.92 N[C@H](CCC(F)(F)Cl)C(=O)O Amb33065677 [0,1,0,0,0,0|2,0,1]=4 854 B10R0.92 N[C@H](CCC(F)(F)F)C(=O)O Amb19889288 [0,1,0,0,0,0|2,0,1]=4 855 B10R0.92 N[C@H](CCP(=O)(O)O)C(=O)O Amb2719726 [0,1,0,0,0,0|1,0,0]=2 856 B10R0.92 N[C@H](CCS(=O)(=O)O)C(=O)O Amb27672864 [0,1,0,0,0,0|1,0,0]=2 857 B10R0.92 N[C@H](COP(=O)(O)O)C(=O)O Amb22231363 [0,1,0,0,0,0|2,0,0]=3 858 B10R0.92 N[C@H](COS(=O)(=O)O)C(=O)O Amb26660628 [0,1,0,0,0,0|2,0,0]=3 859 B10R0.92 O=C(O)[C@@H](O)COP(=O)(O)O Amb25386288 [0,1,0,0,0,0|3,0,0]=4 860 B10R0.92 O=C(O)[C@H](O)COP(=O)(O)O Amb6599982 [0,1,0,0,0,0|3,0,0]=4 861 B10R0.93 C=C(CC(=C)C(=O)O)C(=O)O Amb27990266 [0,1,0,0,0,0|1,0,2]=4 862 B10R0.93 C=C(CC(C)C(=O)O)C(=O)O Amb10844068 [0,1,0,0,0,0|1,0,1]=3 863 B10R0.93 C=C(CC(N)C(=O)O)C(=O)O Amb18126175 [0,1,0,0,0,0|0,0,1]=2 864 B10R0.93 C=C(CC(N)C(=O)O)C(=O)O Amb33734644 [0,1,0,0,0,0|0,0,1]=2 865 B10R0.93 C=C(C[C@@H](N)C(=O)O)C(=O)O Amb27990014 [0,1,0,0,0,0|0,0,1]=2 866 B10R0.93 CC(=O)C(C)CC(C)C(=O)O Amb4014440 [0,1,0,0,0,0|2,0,0]=3 867 B10R0.93 CC(=O)C(C)CC(C)C(C)=O Amb27672288 [0,1,0,0,0,0|3,0,0]=4 868 B10R0.93 CC(=O)C(C)SC(C)C(=O)O Amb28352063 [0,1,0,0,0,0|3,0,0]=4 869 B10R0.93 CC(=O)[C@@H](C)C[C@H](C)C(=O)O Amb27989934 [0,1,0,0,0,0|2,0,0]=3 870 B10R0.93 CC(C)C(C)CC(N)C(=O)O Amb28387309 [0,1,0,0,0,0|2,0,1]=4 871 B10R0.93 CC(C)C(C)C[C@@H](N)C(=O)O Amb28387332 [0,1,0,0,0,0|2,0,1]=4 872 B10R0.93 CC(C)C(C)C[C@H](N)C(=O)O Amb28387331 [0,1,0,0,0,0|2,0,1]=4 873 B10R0.93 CC(C)C(O)CC(N)C(=O)O Amb26081646 [0,1,0,0,0,0|2,0,1]=4 874 B10R0.93 CC(C)C(O)C[C@@H](N)C(=O)O Amb33065734 [0,1,0,0,0,0|2,0,1]=4 875 B10R0.93 CC(C)C(O)C[C@H](N)C(=O)O Amb33066238 [0,1,0,0,0,0|2,0,1]=4 876 B10R0.93 CC(C)[C@@H](C)C[C@H](N)C(=O)O Amb25384069 [0,1,0,0,0,0|2,0,1]=4 877 B10R0.93 CC(C)[C@@H](F)C[C@@H](N)C(=O)O Amb26660930 [0,1,0,0,0,0|2,0,1]=4 878 B10R0.93 CC(CC(=O)C(=O)O)C(=O)O Amb26660388 [0,1,0,0,0,0|1,0,1]=3 879 B10R0.93 CC(CC(C)C(=O)O)C(=O)O Amb4014252 [0,1,0,0,0,0|1,0,0]=2 880 B10R0.93 CC(CC(N)C(=O)O)C(=O)O Amb23440871 [0,1,0,0,0,0|0,0,0]=1 881 B10R0.93 CC(C[C@@H](N)C(=O)O)C(=O)O Amb26999819 [0,1,0,0,0,0|0,0,0]=1 882 B10R0.93 CC(C[C@H](N)C(=O)O)C(=O)O Amb27000115 [0,1,0,0,0,0|0,0,0]=1 883 B10R0.93 CC(C[C@H](N)C(=O)O)C(O)O Amb25384090 [0,1,0,0,0,0|0,0,2]=3 884 B10R0.93 CC(NC(=O)C(=O)O)C(=O)O Amb25108452 [0,1,0,0,0,0|2,0,1]=4 885 B10R0.93 CC(NC(C)C(=O)O)C(=O)O Amb18126275 [0,1,0,0,0,0|2,0,0]=3 886 B10R0.93 CC(N[C@@H](C)C(=O)O)C(=O)O Amb26659333 [0,1,0,0,0,0|2,0,0]=3 887 B10R0.93 CC(N[C@H](C)C(=O)O)C(=O)O Amb27266632 [0,1,0,0,0,0|2,0,0]=3 888 B10R0.93 CC(O[C@@H](C)C(=O)O)C(N)=O Amb27986323 [0,1,0,0,0,0|3,0,0]=4 889 B10R0.93 CC(SC(C)C(=O)O)C(=O)O Amb17501619 [0,1,0,0,0,0|2,0,0]=3 890 B10R0.93 CC(SC(C)C(=O)O)C(N)=O Amb9202524 [0,1,0,0,0,0|3,0,0]=4 891 B10R0.93 C[C@@H](C[C@@H](C)C(=O)O)C(=O)O Amb27272288 [0,1,0,0,0,0|1,0,0]=2 892 B10R0.93 C[C@@H](C[C@@H](N)C(=O)O)C(=O)O Amb19133151 [0,1,0,0,0,0|0,0,0]=1 893 B10R0.93 C[C@@H](C[C@H](N)C(=O)O)C(N)=O Amb27990165 [0,1,0,0,0,0|1,0,0]=2 894 B10R0.93 C[C@@H](NC(=O)C(=O)O)C(=O)O Amb19893389 [0,1,0,0,0,0|2,0,1]=4 895 B10R0.93 C[C@@H](N[C@H](C)C(=O)O)C(=O)O Amb25384906 [0,1,0,0,0,0|2,0,0]=3 896 B10R0.93 C[C@@H](O[C@H](C)C(=O)O)C(=O)O Amb25386293 [0,1,0,0,0,0|2,0,0]=3 897 B10R0.93 C[C@@H](S[C@H](C)C(=O)O)C(=O)O Amb27990009 [0,1,0,0,0,0|2,0,0]=3 898 B10R0.93 C[C@H](C[C@H](N)C(=O)O)C(=O)O Amb10807462 [0,1,0,0,0,0|0,0,0]=1 899 B10R0.93 C[C@H](N[C@@H](C)C(=O)O)C(=O)O Amb27001396 [0,1,0,0,0,0|2,0,0]=3 900 B10R0.93 C\C(=C\C(C)C(=O)O)C(=O)O Amb23591115 [0,1,0,0,0,0|1,0,2]=4 901 B10R0.93 NC(=O)C(F)CC(N)C(=O)O Amb25386442 [0,1,0,0,0,0|1,0,0]=2 902 B10R0.93 NC(=O)C(F)C[C@H](N)C(=O)O Amb25383170 [0,1,0,0,0,0|1,0,0]=2 903 B10R0.93 NC(=O)C(O)C[C@H](N)C(=O)O Amb27990187 [0,1,0,0,0,0|1,0,0]=2 904 B10R0.93 NC(=O)[C@@H](F)C[C@@H](N)C(=O)O Amb10839752 [0,1,0,0,0,0|1,0,0]=2 905 B10R0.93 NC(=O)[C@@H](F)C[C@H](N)C(=O)O Amb10839753 [0,1,0,0,0,0|1,0,0]=2 906 B10R0.93 NC(=O)[C@@H](N)C[C@H](F)C(=O)O Amb10838207 [0,1,0,0,0,0|1,0,0]=2 907 B10R0.93 NC(=O)[C@H](F)C[C@@H](N)C(=O)O Amb25384972 [0,1,0,0,0,0|1,0,0]=2 908 B10R0.93 NC(=O)[C@H](F)C[C@H](N)C(=O)O Amb26083606 [0,1,0,0,0,0|1,0,0]=2 909 B10R0.93 NC(=O)[C@H](F)C[C@H](N)C(=O)O Amb33804028 [0,1,0,0,0,0|1,0,0]=2 910 B10R0.93 NC(CC(=O)C(=O)O)C(=O)O Amb27671651 [0,1,0,0,0,0|0,0,1]=2 911 B10R0.93 NC(CC(F)=C(F)F)C(=O)O Amb27823130 [0,1,0,0,0,0|2,0,1]=4 912 B10R0.93 NC(CC(F)C(=O)O)C(=O)O Amb2688100 [0,1,0,0,0,0|0,0,0]=1 913 B10R0.93 NC(CC(N)C(=O)O)C(=O)O Amb24117887 [0,1,0,0,0,0|0,0,0]=1 914 B10R0.93 NC(CC(N)C(=O)O)C(=O)O Amb3994432 [0,1,0,0,0,0|0,0,0]=1 915 B10R0.93 N[C@@H](CC(F)C(=O)O)C(=O)O Amb22800491 [0,1,0,0,0,0|0,0,0]=1 916 B10R0.93 N[C@@H](CC(O)C(=O)O)C(=O)O Amb27492043 [0,1,0,0,0,0|0,0,0]=1 917 B10R0.93 N[C@@H](C[C@@H](F)C(=O)O)C(=O)O Amb24055860 [0,1,0,0,0,0|0,0,0]=1 918 B10R0.93 N[C@@H](C[C@@H](N)C(=O)O)C(=O)O Amb22746048 [0,1,0,0,0,0|0,0,0]=1 919 B10R0.93 N[C@@H](C[C@@H](O)C(=O)O)C(=O)O Amb6600059 [0,1,0,0,0,0|0,0,0]=1 920 B10R0.93 N[C@@H](C[C@H](N)C(=O)O)C(=O)O Amb22388564 [0,1,0,0,0,0|0,0,0]=1 921 B10R0.93 N[C@@H](C[C@H](N)C(=O)O)C(=O)O Amb22745417 [0,1,0,0,0,0|0,0,0]=1 922 B10R0.93 N[C@@H](C[C@H](O)C(=O)O)C(=O)O Amb22800665 [0,1,0,0,0,0|0,0,0]=1 923 B10R0.93 N[C@@H](C[C@H](O)C(=O)O)C(=O)O Amb24117514 [0,1,0,0,0,0|0,0,0]=1 924 B10R0.93 N[C@H](C[C@@H](F)C(=O)O)C(=O)O Amb26083605 [0,1,0,0,0,0|0,0,0]=1 925 B10R0.93 N[C@H](C[C@@H](N)C(=O)O)C(=O)O Amb22388558 [0,1,0,0,0,0|0,0,0]=1 926 B10R0.93 N[C@H](C[C@H](F)C(=O)O)C(=O)O Amb10839750 [0,1,0,0,0,0|0,0,0]=1 927 B10R0.93 O=C(O)C(=O)CC(O)C(=O)O Amb17615458 [0,1,0,0,0,0|1,0,1]=3 928 B10R0.93 O=C(O)C(Br)CC(Br)C(=O)O Amb17621581 [0,1,0,0,0,0|1,0,0]=2 929 B10R0.93 O=C(O)C(O)SC(O)C(=O)O Amb17772308 [0,1,0,0,0,0|2,0,0]=3 930 B10R0.93 O=C(O)[C@@H](S)C[C@@H](S)C(=O)O Amb27990019 [0,1,0,0,0,0|1,0,0]=2 931 B10R0.93 [NH3+]C(CC(O)C(=O)O)C(=O)[O-] Amb25385683 [0,1,0,0,0,0|0,0,2]=3 932 B10R1.13 C=C1CCC(C(=O)O)CC1 Amb15695314 [0,0,0,1,0,0|3,0,0]=4 933 B10R1.13 CC(=O)C1CCC(=O)CC1 Amb27597007 [0,0,0,1,0,0|3,0,0]=4 934 B10R1.13 CC1=CCC(C(=O)O)CC1 Amb18124574 [0,0,0,1,0,0|3,0,0]=4 935 B10R1.13 CC1CCC(C(=O)O)CO1 Amb29860383 [0,0,0,1,0,0|2,0,1]=4 936 B10R1.13 CC1CCC(C(=O)O)NC1 Amb25324436 [0,0,0,1,0,0|2,0,1]=4 937 B10R1.13 CC1CCC(C(=O)O)NC1 Amb33482831 [0,0,0,1,0,0|2,0,1]=4 938 B10R1.13 C[C@@H]1CC[C@@H](C(=O)O)NC1 Amb33017682 [0,0,0,1,0,0|2,0,1]=4 939 B10R1.13 C[C@@H]1CC[C@@H](C(=O)O)NC1 Amb33299403 [0,0,0,1,0,0|2,0,1]=4 940 B10R1.13 C[C@@H]1CC[C@H](C(=O)O)NC1 Amb33804580 [0,0,0,1,0,0|2,0,1]=4 941 B10R1.13 NC(=O)C1C=CC(=O)CC1 Amb25946225 [0,0,0,1,0,0|3,0,0]=4 942 B10R1.13 NC(=O)C1CC=C(O)CC1 Amb27170137 [0,0,0,1,0,0|3,0,0]=4 943 B10R1.13 NC(=O)C1CCC(=O)CC1 Amb21964140 [0,0,0,1,0,0|3,0,0]=4 944 B10R1.13 NC(=O)C1CCC(=O)NC1 Amb20668378 [0,0,0,1,0,0|3,0,0]=4 945 B10R1.13 NC(=O)C1CNC(=O)CN1 Amb26400442 [0,0,0,1,0,0|3,0,0]=4 946 B10R1.13 NC(=O)C1CNC(=O)CN1 Amb33482851 [0,0,0,1,0,0|3,0,0]=4 947 B10R1.13 NC1=NCC(C(=O)O)CC1 Amb27760065 [0,0,0,1,0,0|3,0,0]=4 948 B10R1.13 NC1=NCC(C(=O)O)CC1 Amb28555528 [0,0,0,1,0,0|3,0,0]=4 949 B10R1.13 O=C(O)C1C=CC(O)CC1 Amb27455236 [0,0,0,1,0,0|2,0,1]=4 950 B10R1.13 O=C(O)C1CC=C(Br)CC1 Amb26015030 [0,0,0,1,0,0|3,0,0]=4 951 B10R1.13 O=C(O)C1CC=C(F)CC1 Amb27628828 [0,0,0,1,0,0|3,0,0]=4 952 B10R1.13 O=C(O)C1CCC(O)CC1 Amb2720801 [0,0,0,1,0,0|2,0,1]=4 953 B10R1.13 O=C(O)C1CCC(O)CN1 Amb22034512 [0,0,0,1,0,0|1,0,1]=3 954 B10R1.13 O=C(O)C1CCC(O)CN1 Amb5719819 [0,0,0,1,0,0|1,0,1]=3 955 B10R1.13 O=C(O)C1CCC(O)CO1 Amb23596937 [0,0,0,1,0,0|2,0,1]=4 956 B10R1.13 O=C(O)C1CCS(=O)CC1 Amb25295426 [0,0,0,1,0,0|3,0,0]=4 957 B10R1.13 O=C(O)C1CNC(O)CN1 Amb25332404 [0,0,0,1,0,0|2,0,1]=4 958 B10R1.13 O=C(O)[C@@H]1CC[C@@H](F)CN1 Amb24763804 [0,0,0,1,0,0|2,0,1]=4 959 B10R1.13 O=C(O)[C@@H]1CC[C@@H](F)CN1 Amb35752872 [0,0,0,1,0,0|2,0,1]=4 960 B10R1.13 O=C(O)[C@@H]1CC[C@@H](O)CN1 Amb24120629 [0,0,0,1,0,0|1,0,1]=3 961 B10R1.13 O=C(O)[C@@H]1CC[C@@H](O)CN1 Amb2697173 [0,0,0,1,0,0|1,0,1]=3 962 B10R1.13 O=C(O)[C@@H]1CC[C@@H](O)CO1 Amb27758209 [0,0,0,1,0,0|2,0,1]=4 963 B10R1.13 O=C(O)[C@@H]1CC[C@H](O)CN1 Amb28132662 [0,0,0,1,0,0|1,0,1]=3 964 B10R1.13 O=C(O)[C@@H]1CC[C@H](O)CN1 Amb33726118 [0,0,0,1,0,0|1,0,1]=3 965 B10R1.13 O=C(O)[C@H]1CC[C@@H](O)CC1 Amb22387642 [0,0,0,1,0,0|2,0,1]=4 966 B10R1.13 O=C(O)[C@H]1CC[C@@H](O)CN1 Amb23440007 [0,0,0,1,0,0|1,0,1]=3 967 B10R1.13 O=C(O)[C@H]1CC[C@@H](O)CN1 Amb23440183 [0,0,0,1,0,0|1,0,1]=3 968 B10R1.13 O=C(O)[C@H]1CC[C@H](O)CC1 Amb22387641 [0,0,0,1,0,0|2,0,1]=4 969 B10R1.13 O=C(O)[C@H]1CC[C@H](O)CN1 Amb26401050 [0,0,0,1,0,0|1,0,1]=3 970 B10R1.13 O=C1CCC(C(=O)Cl)CC1 Amb10071440 [0,0,0,1,0,0|3,0,0]=4 971 B10R1.13 O=C1CCC(C(=O)O)=NN1 Amb6336556 [0,0,0,1,0,0|1,0,2]=4 972 B10R1.13 O=C1CCC(C(=O)O)CC1 Amb5719059 [0,0,0,1,0,0|2,0,0]=3 973 B10R1.13 O=C1CCC(C(=O)O)CN1 Amb8503400 [0,0,0,1,0,0|2,0,0]=3 974 B10R1.13 O=C1CCC(C(=O)O)CN1 Amb9721708 [0,0,0,1,0,0|2,0,0]=3 975 B10R1.13 O=C1CCC(C(=O)O)NC1 Amb21960863 [0,0,0,1,0,0|1,0,0]=2 976 B10R1.13 O=C1CCC(C(=O)O)NC1 Amb5719827 [0,0,0,1,0,0|1,0,0]=2 977 B10R1.13 O=C1CCC(C(=O)O)NN1 Amb23441127 [0,0,0,1,0,0|1,0,0]=2 978 B10R1.13 O=C1CCC(C(=O)O)SC1 Amb23596925 [0,0,0,1,0,0|2,0,0]=3 979 B10R1.13 O=C1CC[C@@H](C(=O)O)CN1 Amb26878933 [0,0,0,1,0,0|2,0,0]=3 980 B10R1.13 O=C1CC[C@@H](C(=O)O)NC1 Amb24655763 [0,0,0,1,0,0|1,0,0]=2 981 B10R1.13 O=C1CC[C@@H](C(=O)O)NC1 Amb31291189 [0,0,0,1,0,0|1,0,0]=2 982 B10R1.13 O=C1CC[C@H](C(=O)O)CN1 Amb26515676 [0,0,0,1,0,0|2,0,0]=3 983 B10R1.13 O=C1CC[C@H](C(=O)O)NC1 Amb27648107 [0,0,0,1,0,0|1,0,0]=2 984 B10R1.13 O=C1CC[C@H](C(=O)O)NC1 Amb31291190 [0,0,0,1,0,0|1,0,0]=2 985 B10R1.13 O=C1CNC(C(=O)O)CN1 Amb22235954 [0,0,0,1,0,0|2,0,0]=3 986 B10R1.13 O=C1CNC(C(=O)O)CN1 Amb22641428 [0,0,0,1,0,0|2,0,0]=3 987 B10R1.13 O=C1CN[C@@H](C(=O)O)CN1 Amb24423079 [0,0,0,1,0,0|2,0,0]=3 988 B10R1.13 O=C1CN[C@H](C(=O)O)CN1 Amb22756547 [0,0,0,1,0,0|2,0,0]=3 989 B10R1.13 O=C1COC(C(=O)O)CN1 Amb27872662 [0,0,0,1,0,0|3,0,0]=4 990 B10R1.13 O=C1NCC(C(=O)O)CN1 Amb27469166 [0,0,0,1,0,0|3,0,0]=4 991 B10R1.58 C=C1CC(C(=O)O)CC1=O Amb28368152 [0,0,0,1,0,0|2,0,1]=4 992 B10R1.58 C=C1CC(C(=O)O)CC1N Amb25996162 [0,0,0,1,0,0|2,0,0]=3 993 B10R1.58 C=C1CC(C(=O)O)OC1=O Amb27838007 [0,0,0,1,0,0|1,0,1]=3 994 B10R1.58 C=C1C[C@@H](C(=O)O)NC1=O Amb27437052 [0,0,0,1,0,0|2,0,1]=4 995 B10R1.58 C=C1C[C@@H](C(=O)O)OC1=O Amb27253954 [0,0,0,1,0,0|1,0,1]=3 996 B10R1.58 C=C1C[C@H](C(=O)O)C[C@@H]1N Amb25229776 [0,0,0,1,0,0|2,0,0]=3 997 B10R1.58 C=C1C[C@H](C(=O)O)OC1=O Amb28340915 [0,0,0,1,0,0|1,0,1]=3 998 B10R1.58 CC(=O)C1CC(=O)C(C)C1 Amb26936800 [0,0,0,1,0,0|3,0,0]=4 999 B10R1.58 CC(O)[C@H]1C[C@H](N)C(=O)O1 Amb27782386 [0,0,0,1,0,0|1,0,1]=3 1000 B10R1.58 CC1=NC(C(=O)O)CC1C Amb27397721 [0,0,0,1,0,0|3,0,0]=4 1001 B10R1.58 CC1CC(C(=O)O)CC1=O Amb27413499 [0,0,0,1,0,0|2,0,0]=3 1002 B10R1.58 CC1CC(C(=O)O)OC1=O Amb27836333 [0,0,0,1,0,0|1,0,0]=2 1003 B10R1.58 CC1C[C@@H](C(=O)O)OC1=O Amb27615055 [0,0,0,1,0,0|1,0,0]=2 1004 B10R1.58 CC1C[C@H](C(=O)O)CC1O Amb27882643 [0,0,0,1,0,0|2,0,1]=4 1005 B10R1.58 CC1NC(C(=O)O)CC1N Amb27768615 [0,0,0,1,0,0|2,0,1]=4 1006 B10R1.58 CC1OC(C(=O)O)OC1=O Amb27250530 [0,0,0,1,0,0|2,0,0]=3 1007 B10R1.58 CC1O[C@@H](C(=O)O)C[C@H]1O Amb27216683 [0,0,0,1,0,0|2,0,1]=4 1008 B10R1.58 CN1CC(C(=O)O)CC1=O Amb6315829 [0,0,0,1,0,0|3,0,0]=4 1009 B10R1.58 CN1CC(C(=O)O)NC1=O Amb33545035 [0,0,0,1,0,0|3,0,0]=4 1010 B10R1.58 CN1CC(C(=O)O)OC1=O Amb27864010 [0,0,0,1,0,0|2,0,0]=3 1011 B10R1.58 CN1CC(C(=O)O)SC1=O Amb27876779 [0,0,0,1,0,0|2,1,0]=4 1012 B10R1.58 CN1C[C@@H](C(=O)O)NC1=O Amb27770517 [0,0,0,1,0,0|3,0,0]=4 1013 B10R1.58 CN1C[C@@H](C(=O)O)OC1=O Amb25696396 [0,0,0,1,0,0|2,0,0]=3 1014 B10R1.58 CN1C[C@H](C(=O)O)CC1=O Amb28326218 [0,0,0,1,0,0|3,0,0]=4 1015 B10R1.58 CN1C[C@H](C(=O)O)NC1=O Amb23598492 [0,0,0,1,0,0|3,0,0]=4 1016 B10R1.58 C[C@@H](O)[C@H]1C[C@@H](O)C(=O)O1 Amb27427653 [0,0,0,1,0,0|2,0,1]=4 1017 B10R1.58 C[C@H](O)[C@H]1C[C@H](O)C(=O)O1 Amb27219090 [0,0,0,1,0,0|2,0,1]=4 1018 B10R1.58 C[C@H]1C[C@@H](C(=O)Cl)OC1=O Amb27255383 [0,0,0,1,0,0|2,0,0]=3 1019 B10R1.58 C[C@H]1O[C@H](C(=O)O)C[C@@H]1O Amb27194347 [0,0,0,1,0,0|2,0,1]=4 1020 B10R1.58 NC(=O)C1CC(F)C(=O)N1 Amb27593081 [0,0,0,1,0,0|3,0,0]=4 1021 B10R1.58 NC1CC(C(=O)O)CC1F Amb27666691 [0,0,0,1,0,0|2,0,1]=4 1022 B10R1.58 NC1CC(C(=O)O)OC1=O Amb25147458 [0,0,0,1,0,0|0,0,0]=1 1023 B10R1.58 NN1CC(C(=O)O)CC1=O Amb27453836 [0,0,0,1,0,0|2,0,0]=3 1024 B10R1.58 N[C@@H]1C[C@H](C(=O)O)C[C@H]1O Amb27630763 [0,0,0,1,0,0|1,0,1]=3 1025 B10R1.58 N[C@@H]1C[C@H](C(=O)O)C[C@H]1O Amb33017585 [0,0,0,1,0,0|1,0,1]=3 1026 B10R1.58 N[C@H]1CC(C(=O)O)C[C@@H]1O Amb27238051 [0,0,0,1,0,0|1,0,1]=3 1027 B10R1.58 N[C@H]1C[C@@H](C(=O)O)C[C@@H]1F Amb24568879 [0,0,0,1,0,0|2,0,1]=4 1028 B10R1.58 N[C@H]1C[C@@H](C(=O)O)C[C@@H]1O Amb27420224 [0,0,0,1,0,0|1,0,1]=3 1029 B10R1.58 N[C@H]1C[C@@H](C(=O)O)OC1=O Amb27782562 [0,0,0,1,0,0|0,0,0]=1 1030 B10R1.58 N[C@H]1C[C@@H](C(=O)O)SC1=O Amb27486281 [0,0,0,1,0,0|0,1,0]=2 1031 B10R1.58 N[C@H]1C[C@H](C(=O)O)C[C@@H]1O Amb28437238 [0,0,0,1,0,0|1,0,1]=3 1032 B10R1.58 O=C(O)C1CC(=O)N(O)C1 Amb27779851 [0,0,0,1,0,0|3,0,0]=4 1033 B10R1.58 O=C(O)C1CC(O)C(Br)C1 Amb28453598 [0,0,0,1,0,0|2,0,1]=4 1034 B10R1.58 O=C(O)C1CC(O)C(O)C1 Amb26034622 [0,0,0,1,0,0|2,0,1]=4 1035 B10R1.58 O=C(O)C1C[C@H](O)[C@H](O)C1 Amb28126711 [0,0,0,1,0,0|2,0,1]=4 1036 B10R1.58 O=C(O)[C@@H]1C[C@@H](Br)C(=O)O1 Amb28436779 [0,0,0,1,0,0|1,0,0]=2 1037 B10R1.58 O=C(O)[C@@H]1C[C@@H](F)C(=O)N1 Amb10839466 [0,0,0,1,0,0|2,0,0]=3 1038 B10R1.58 O=C(O)[C@@H]1C[C@@H](O)[C@H](F)C1 Amb28046336 [0,0,0,1,0,0|2,0,1]=4 1039 B10R1.58 O=C1CC(C(=O)O)CC1=O Amb27948058 [0,0,0,1,0,0|2,0,1]=4 1040 B10R1.58 O=C1NC(C(=O)O)CC1F Amb24696741 [0,0,0,1,0,0|2,0,0]=3 1041 B10R1.58 O=C1N[C@@H](C(=O)O)C[C@@H]1F Amb27421959 [0,0,0,1,0,0|2,0,0]=3 1042 B10R1.58 O=C1N[C@H](C(=O)O)CC1F Amb25360897 [0,0,0,1,0,0|2,0,0]=3 1043 B10R1.58 O=C1N[C@H](C(=O)O)CC1O Amb28208546 [0,0,0,1,0,0|2,0,0]=3 1044 B10R1.58 O=C1N[C@H](C(=O)O)C[C@@H]1F Amb10838332 [0,0,0,1,0,0|2,0,0]=3 1045 B10R1.58 O=C1O[C@H](C(=O)O)C[C@@H]1O Amb25230626 [0,0,0,1,0,0|1,0,0]=2 1046 B10R1.80 CC(=O)OC1NC(=O)C1N Amb27838093 [0,0,0,1,0,0|3,0,0]=4 1047 B10R1.80 C[C@H](O)C[C@H]1OC(=O)[C@@H]1C Amb27420290 [0,0,0,1,0,0|2,0,1]=4 1048 B10R1.81 CC1CC(C(N)C(=O)O)C1 Amb35666631 [0,0,0,1,0,0|2,0,1]=4 1049 B10R1.81 NC(C(=O)O)C1CC(F)C1 Amb34162536 [0,0,0,1,0,0|2,0,1]=4 1050 B10R1.83 CC1(C)C(N)CC1C(=O)O Amb19894984 [0,0,0,1,0,0|2,0,1]=4 1051 B10R1.83 CC1(C)C(N)CC1C(=O)O Amb28989960 [0,0,0,1,0,0|2,0,1]=4 1052 B10R1.83 CC1(C)[C@@H](C(=O)O)C[C@H]1N Amb25912153 [0,0,0,1,0,0|2,0,1]=4 1053 B10R1.83 CC1(C)[C@@H](C(=O)O)C[C@H]1N Amb33801265 [0,0,0,1,0,0|2,0,1]=4 1054 B10R1.83 CC1(C)[C@@H](N)C[C@@H]1C(=O)O Amb24752337 [0,0,0,1,0,0|2,0,1]=4 1055 B10R1.83 CC1(C)[C@@H](N)C[C@@H]1C(=O)O Amb28989961 [0,0,0,1,0,0|2,0,1]=4 1056 B10R1.83 CC1(C)[C@@H](N)C[C@H]1C(=O)O Amb20622645 [0,0,0,1,0,0|2,0,1]=4 1057 B10R1.83 CC1(C)[C@@H](N)C[C@H]1C(=O)O Amb22748944 [0,0,0,1,0,0|2,0,1]=4 1058 B10R1.117 O=C(O)CCN1CCC1=O Amb27782123 [0,0,0,1,0,0|3,0,0]=4 1059 B10R1.147 CC1(C)CCC(N)C(=O)O1 Amb27789981 [0,0,0,1,0,0|2,0,1]=4 1060 B10R1.147 CC1(C)CC[C@H](N)C(=O)O1 Amb27855723 [0,0,0,1,0,0|2,0,1]=4 1061 B10R1.147 NC1CCS(=O)(=O)CC1=O Amb18199801 [0,0,0,1,0,0|2,0,1]=4 1062 B10R1.147 NC1CCS(=O)(=O)NC1=O Amb31156124 [0,0,0,1,0,0|2,0,1]=4 1063 B10R1.147 NC1CCS(=O)(=O)NC1=O Amb32752533 [0,0,0,1,0,0|2,0,1]=4 1064 B10R1.190 C=C1CC1CC(N)C(=O)O Amb24117524 [0,0,0,1,0,0|2,0,0]=3 1065 B10R1.190 C=C1CC1C[C@@H](N)C(=O)O Amb24640688 [0,0,0,1,0,0|2,0,0]=3 1066 B10R1.190 C=C1C[C@@H]1C[C@H](N)C(=O)O Amb17615983 [0,0,0,1,0,0|2,0,0]=3 1067 B10R1.190 CC1CC1CC(N)C(=O)O Amb25147396 [0,0,0,1,0,0|2,0,1]=4 1068 B10R1.190 CC1CC1C[C@@H](N)C(=O)O Amb33036595 [0,0,0,1,0,0|2,0,1]=4 1069 B10R1.190 CC1CC1C[C@H](N)C(=O)O Amb25305763 [0,0,0,1,0,0|2,0,1]=4 1070 B10R1.190 CC1SC1CC(N)C(=O)O Amb28143562 [0,0,0,1,0,0|1,1,1]=4 1071 B10R1.190 C[C@@H]1O[C@H]1C[C@H](N)C(=O)O Amb27421923 [0,0,0,1,0,0|1,0,1]=3 1072 B10R1.190 C[C@H]1O[C@H]1C[C@H](N)C(=O)O Amb27254136 [0,0,0,1,0,0|1,0,1]=3 1073 B10R1.190 NC(C[C@@H]1C[C@H]1N)C(=O)O Amb27783818 [0,0,0,1,0,0|2,0,1]=4 1074 B10R1.190 N[C@@H](CC1CC1=O)C(=O)O Amb28315789 [0,0,0,1,0,0|1,0,0]=2 1075 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 1076 B10R1.205 NC(CCC1CC1)C(=O)O Amb18831582 [0,0,0,1,0,0|2,0,1]=4 1077 B10R1.205 N[C@@H](CCC1CC1)C(=O)O Amb25236249 [0,0,0,1,0,0|2,0,1]=4 1078 B10R1.205 N[C@H](CCC1CC1)C(=O)O Amb27801629 [0,0,0,1,0,0|2,0,1]=4 1079 B10R1.211 NC(CCC(=O)O)C1CC1 Amb25824611 [0,0,0,1,0,0|2,0,1]=4 1080 B10R1.332 NC1CCC(O)CNC1=O Amb27816247 [0,0,0,1,0,0|2,0,1]=4 1081 B10R1.349 C=C(O)C1CC(C(=O)O)N1 Amb27397366 [0,0,0,1,0,0|1,0,0]=2 1082 B10R1.349 CC(=O)C1CC(C(=O)O)C1 Amb25113879 [0,0,0,1,0,0|2,0,0]=3 1083 B10R1.349 CC(=O)N1CC(C(=O)O)C1 Amb33545591 [0,0,0,1,0,0|3,0,0]=4 1084 B10R1.349 NC(=O)C1CC(C(=O)O)N1 Amb27872340 [0,0,0,1,0,0|1,0,0]=2 1085 B10R1.349 NC(=O)C1CC(C(N)=O)N1 Amb27838142 [0,0,0,1,0,0|2,0,0]=3 1086 B10R1.349 NC(=O)N1CC(C(=O)O)C1 Amb25990817 [0,0,0,1,0,0|3,0,0]=4 1087 B10R1.349 NC(=O)[C@@H]1C[C@H](C(=O)O)N1 Amb27186909 [0,0,0,1,0,0|1,0,0]=2 1088 B10R1.349 NC(=O)[C@@H]1C[C@H](C(N)=O)N1 Amb24540472 [0,0,0,1,0,0|2,0,0]=3 1089 B10R1.349 NC(=O)[C@H]1C[C@@H](C(=O)O)N1 Amb27961402 [0,0,0,1,0,0|1,0,0]=2 1090 B10R1.349 O=C(O)C1CC(C(=O)O)C1 Amb19958786 [0,0,0,1,0,0|1,0,0]=2 1091 B10R1.349 O=C(O)C1CC(C(=O)O)N1 Amb28318335 [0,0,0,1,0,0|0,0,0]=1 1092 B10R1.349 O=C(O)[C@@H]1C[C@@H](C(=O)O)N1 Amb8515688 [0,0,0,1,0,0|0,0,0]=1 1093 B10R1.349 O=C(O)[C@@H]1C[C@H](C(=O)O)N1 Amb8515686 [0,0,0,1,0,0|0,0,0]=1 1094 B10R1.349 O=C(O)[C@H]1C[C@@H](C(=O)O)C1 Amb7970125 [0,0,0,1,0,0|1,0,0]=2 1095 B10R1.349 O=C(O)[C@H]1C[C@H](C(=O)O)C1 Amb19514892 [0,0,0,1,0,0|1,0,0]=2 1096 B10R1.349 O=C(O)[C@H]1C[C@H](C(=O)O)N1 Amb8515687 [0,0,0,1,0,0|0,0,0]=1 1097 B10R1.359 CC1(C)CCC(C(=O)O)N1 Amb17593611 [0,0,0,1,0,0|2,0,1]=4 1098 B10R1.359 CC1(C)CCC(C(=O)O)N1 Amb22755806 [0,0,0,1,0,0|2,0,1]=4 1099 B10R1.359 CP1(=O)CCC(C(=O)O)N1 Amb28436164 [0,0,0,1,0,0|2,0,0]=3 1100 B10R1.359 O=C(O)C1CCP(=O)(O)C1 Amb27450568 [0,0,0,1,0,0|2,0,0]=3 1101 B10R1.359 O=C(O)C1CCS(=O)(=O)C1 Amb2568469 [0,0,0,1,0,0|2,0,1]=4 1102 B10R1.359 O=C(O)C1CCS(=O)(=O)N1 Amb19888363 [0,0,0,1,0,0|1,0,1]=3 1103 B10R1.359 O=C(O)C1COS(=O)(=O)N1 Amb27837946 [0,0,0,1,0,0|2,0,1]=4 1104 B10R1.359 O=C(O)[C@@H]1CCS(=O)(=O)N1 Amb27272810 [0,0,0,1,0,0|1,0,1]=3 1105 B10R1.359 O=C(O)[C@H]1CCS(=O)(=O)N1 Amb27600587 [0,0,0,1,0,0|1,0,1]=3 1106 B10R1.360 C=C(C)[C@@]1(C)C[C@@H]1C(=O)O Amb27651750 [0,0,0,1,0,0|3,0,0]=4 1107 B10R1.360 C=C(C)[C@]1(C)C[C@@H]1C(=O)O Amb27216721 [0,0,0,1,0,0|3,0,0]=4 1108 B10R1.360 C=C(C)[C@]1(C)C[C@H]1C(=O)O Amb27870491 [0,0,0,1,0,0|3,0,0]=4 1109 B10R1.360 CC(=O)C1(Br)CC1C(=O)O Amb28204025 [0,0,0,1,0,0|2,0,0]=3 1110 B10R1.360 CC(=O)[C@@H]1C[C@]1(C)C(C)=O Amb27844205 [0,0,0,1,0,0|3,0,0]=4 1111 B10R1.360 CC(C)C1CC1(N)C(=O)O Amb24477051 [0,0,0,1,0,0|2,0,1]=4 1112 B10R1.360 CC(C)[C@@H]1C[C@@]1(N)C(=O)O Amb23452874 [0,0,0,1,0,0|2,0,1]=4 1113 B10R1.360 CC(C)[C@@H]1C[C@]1(N)C(=O)O Amb23452873 [0,0,0,1,0,0|2,0,1]=4 1114 B10R1.360 CC(C)[C@H]1C[C@@]1(N)C(=O)O Amb26968202 [0,0,0,1,0,0|2,0,1]=4 1115 B10R1.360 CC(C)[C@H]1C[C@]1(N)C(=O)O Amb27961206 [0,0,0,1,0,0|2,0,1]=4 1116 B10R1.360 CC1(C(=O)O)CC1C(=O)O Amb612291 [0,0,0,1,0,0|1,0,0]=2 1117 B10R1.360 CC1([N+](=O)[O-])CC1C(=O)O Amb25103507 [0,0,0,1,0,0|2,0,1]=4 1118 B10R1.360 C[C@@]1(C(=O)O)C[C@@H]1C(=O)O Amb24598825 [0,0,0,1,0,0|1,0,0]=2 1119 B10R1.360 C[C@@]1(C(=O)O)O[C@@H]1C(=O)O Amb25340526 [0,0,0,1,0,0|2,0,0]=3 1120 B10R1.360 C[C@@]1(C(N)=O)C[C@H]1C(N)=O Amb27216516 [0,0,0,1,0,0|3,0,0]=4 1121 B10R1.360 C[C@]1(C(=O)O)C[C@@H]1C(=O)O Amb27420123 [0,0,0,1,0,0|1,0,0]=2 1122 B10R1.360 C[C@]1(C(=O)O)C[C@H]1C(=O)O Amb27969184 [0,0,0,1,0,0|1,0,0]=2 1123 B10R1.360 C[C@]1([N+](=O)[O-])C[C@@H]1C(=O)O Amb27956124 [0,0,0,1,0,0|2,0,1]=4 1124 B10R1.360 NC1(C(=O)O)CC1C(=O)O Amb25124900 [0,0,0,1,0,0|0,0,0]=1 1125 B10R1.360 N[C@@]1(C(=O)O)C[C@H]1C(=O)O Amb24515142 [0,0,0,1,0,0|0,0,0]=1 1126 B10R1.360 N[C@]1(C(=O)O)C[C@H]1C(=O)O Amb23452828 [0,0,0,1,0,0|0,0,0]=1 1127 B10R1.360 O=C(O)C1CC1(Br)C(=O)O Amb27770448 [0,0,0,1,0,0|1,0,0]=2 1128 B10R1.360 O=C(O)C1CC1(Cl)C(=O)O Amb27838075 [0,0,0,1,0,0|1,0,0]=2 1129 B10R1.360 O=C(O)C1CC1(O)C(=O)O Amb27975726 [0,0,0,1,0,0|1,0,0]=2 1130 B10R1.360 O=C(O)[C@@H]1C[C@@]1(Br)C(=O)O Amb27213790 [0,0,0,1,0,0|1,0,0]=2 1131 B10R1.360 O=C(O)[C@H]1C[C@@]1(Br)C(=O)O Amb27969089 [0,0,0,1,0,0|1,0,0]=2 1132 B10R1.360 O=C(O)[C@H]1C[C@@]1(Cl)C(=O)O Amb27984863 [0,0,0,1,0,0|1,0,0]=2 1133 B10R1.368 CC(=O)NC1CC1C(=O)O Amb18831601 [0,0,0,1,0,0|3,0,0]=4 1134 B10R1.368 O=C(O)CC1OC1C(=O)O Amb28146420 [0,0,0,1,0,0|1,0,0]=2 1135 B10R1.368 O=C(O)C[C@@H]1O[C@@H]1C(=O)O Amb27254162 [0,0,0,1,0,0|1,0,0]=2 1136 B10R1.368 O=C(O)\C=C1\CC1C(=O)O Amb27216810 [0,0,0,1,0,0|1,0,2]=4 1137 B10R1.470 C=C1CCC(C)(C(=O)O)C1 Amb25789474 [0,0,0,1,0,0|3,0,0]=4 1138 B10R1.470 C=C1CCC(O)(C(=O)O)C1 Amb27620508 [0,0,0,1,0,0|3,0,0]=4 1139 B10R1.470 CC(=O)C1(C)CCC(=O)C1 Amb25146569 [0,0,0,1,0,0|3,0,0]=4 1140 B10R1.470 CC(=O)C1(O)CCC(=O)O1 Amb26927588 [0,0,0,1,0,0|2,0,0]=3 1141 B10R1.470 CC1(C(=O)Cl)CCC(=O)O1 Amb27817345 [0,0,0,1,0,0|2,0,0]=3 1142 B10R1.470 CC1(C(=O)O)CCC(=O)C1 Amb23454199 [0,0,0,1,0,0|2,0,0]=3 1143 B10R1.470 CC1(C(=O)O)CCC(=O)N1 Amb33545084 [0,0,0,1,0,0|2,0,0]=3 1144 B10R1.470 CC1(C(=O)O)CCC(=O)O1 Amb9783335 [0,0,0,1,0,0|1,0,0]=2 1145 B10R1.470 CC1(C(=O)O)CCC(O)C1 Amb23454235 [0,0,0,1,0,0|2,0,1]=4 1146 B10R1.470 CC1(C(=O)O)CNC(=O)C1 Amb22546311 [0,0,0,1,0,0|3,0,0]=4 1147 B10R1.470 CC1(C(=O)O)CNC(=O)N1 Amb33745555 [0,0,0,1,0,0|3,0,0]=4 1148 B10R1.470 CC1(C(=O)O)CNC(=O)O1 Amb33736385 [0,0,0,1,0,0|2,0,0]=3 1149 B10R1.470 CC1(C(=O)O)COC(=O)N1 Amb27838110 [0,0,0,1,0,0|3,0,0]=4 1150 B10R1.470 CC1(C(=O)O)COC(=O)O1 Amb28422351 [0,0,0,1,0,0|2,0,0]=3 1151 B10R1.470 CC1CCC(N)(C(=O)O)C1 Amb2695735 [0,0,0,1,0,0|2,0,1]=4 1152 B10R1.470 CC1CCC(N)(C(=O)O)C1 Amb31188353 [0,0,0,1,0,0|2,0,1]=4 1153 B10R1.470 C[C@@H](O)[C@@]1(C)CCC(=O)O1 Amb27632035 [0,0,0,1,0,0|2,0,1]=4 1154 B10R1.470 C[C@@H]1CC[C@@](N)(C(=O)O)C1 Amb24373352 [0,0,0,1,0,0|2,0,1]=4 1155 B10R1.470 C[C@@]1(C(=O)O)CCC(=O)N1 Amb28126701 [0,0,0,1,0,0|2,0,0]=3 1156 B10R1.470 C[C@@]1(C(=O)O)CCC(=O)O1 Amb28067769 [0,0,0,1,0,0|1,0,0]=2 1157 B10R1.470 C[C@@]1(C(=O)O)COC(=O)O1 Amb27467542 [0,0,0,1,0,0|2,0,0]=3 1158 B10R1.470 C[C@H](O)[C@]1(C)CCC(=O)O1 Amb27790234 [0,0,0,1,0,0|2,0,1]=4 1159 B10R1.470 C[C@H]1CC[C@@](N)(C(=O)O)C1 Amb27622425 [0,0,0,1,0,0|2,0,1]=4 1160 B10R1.470 C[C@]1(C(=O)O)CCC(=O)O1 Amb27881875 [0,0,0,1,0,0|1,0,0]=2 1161 B10R1.470 NC(=O)C1(N)CCC(O)C1 Amb30013934 [0,0,0,1,0,0|2,0,1]=4 1162 B10R1.470 NC1(C(=O)O)CCC(O)C1 Amb26331332 [0,0,0,1,0,0|1,0,1]=3 1163 B10R1.470 NC1(C(=O)O)CCC(O)C1 Amb33456869 [0,0,0,1,0,0|1,0,1]=3 1164 B10R1.470 NC1(C(=O)O)CCS(=O)C1 Amb26884927 [0,0,0,1,0,0|2,0,0]=3 1165 B10R1.470 N[C@@]1(C(=O)O)CC[C@@H](O)C1 Amb10066916 [0,0,0,1,0,0|1,0,1]=3 1166 B10R1.470 N[C@]1(C(=O)O)CC[C@H](O)C1 Amb35745821 [0,0,0,1,0,0|1,0,1]=3 1167 B10R1.470 O=C1CCC(O)(C(=O)O)O1 Amb28050065 [0,0,0,1,0,0|1,0,0]=2 1168 B10R1.470 O=C1C[C@@](O)(C(=O)O)CO1 Amb25084490 [0,0,0,1,0,0|3,0,0]=4 1169 B8R0.23 BC(CC(=O)O)C(=O)O Amb28287358 [0,0,0,0,1,0|1,0,0]=2 1170 B8R0.23 C=C(Br)CC(N)C(=O)O Amb24557771 [0,0,0,0,1,0|2,0,0]=3 1171 B8R0.23 C=C(Br)C[C@@H](N)C(=O)O Amb22746251 [0,0,0,0,1,0|2,0,0]=3 1172 B8R0.23 C=C(Br)C[C@H](N)C(=O)O Amb25918807 [0,0,0,0,1,0|2,0,0]=3 1173 B8R0.23 C=C(Br)[C@@H](O)CC(=O)O Amb27392180 [0,0,0,0,1,0|3,0,0]=4 1174 B8R0.23 C=C(C)C(C)CC(=O)O Amb18642614 [0,0,0,0,1,0|3,0,0]=4 1175 B8R0.23 C=C(C)C(N)CC(=O)O Amb2697570 [0,0,0,0,1,0|2,0,0]=3 1176 B8R0.23 C=C(C)C(N)CC(N)=O Amb24401112 [0,0,0,0,1,0|3,0,0]=4 1177 B8R0.23 C=C(C)C(O)CC(=O)O Amb18642756 [0,0,0,0,1,0|3,0,0]=4 1178 B8R0.23 C=C(C)CC(C)C(=O)O Amb24471924 [0,0,0,0,1,0|3,0,0]=4 1179 B8R0.23 C=C(C)CC(N)C(=O)O Amb6280366 [0,0,0,0,1,0|2,0,0]=3 1180 B8R0.23 C=C(C)CC(N)C(N)=O Amb26326676 [0,0,0,0,1,0|3,0,0]=4 1181 B8R0.23 C=C(C)CC(O)C(=O)O Amb24534477 [0,0,0,0,1,0|3,0,0]=4 1182 B8R0.23 C=C(C)C[C@@H](C)C(=O)O Amb24340253 [0,0,0,0,1,0|3,0,0]=4 1183 B8R0.23 C=C(C)C[C@@H](N)C(=O)O Amb22801689 [0,0,0,0,1,0|2,0,0]=3 1184 B8R0.23 C=C(C)C[C@H](C)C(=O)O Amb10843988 [0,0,0,0,1,0|3,0,0]=4 1185 B8R0.23 C=C(C)C[C@H](N)C(=O)O Amb25757900 [0,0,0,0,1,0|2,0,0]=3 1186 B8R0.23 C=C(C)[C@@H](O)CC(=O)O Amb25789715 [0,0,0,0,1,0|3,0,0]=4 1187 B8R0.23 C=C(C)[C@H](C)CC(=O)O Amb27447241 [0,0,0,0,1,0|3,0,0]=4 1188 B8R0.23 C=C(C)[C@H](O)CC(=O)O Amb28286173 [0,0,0,0,1,0|3,0,0]=4 1189 B8R0.23 C=C(CC(=O)O)C(=O)O Amb6608656 [0,0,0,0,1,0|1,0,1]=3 1190 B8R0.23 C=C(CC(=O)O)C(C)=O Amb27831643 [0,0,0,0,1,0|2,0,1]=4 1191 B8R0.23 C=C(CC(=O)O)C(N)=O Amb22011744 [0,0,0,0,1,0|2,0,1]=4 1192 B8R0.23 C=C(Cl)CC(N)C(=O)O Amb24411473 [0,0,0,0,1,0|2,0,0]=3 1193 B8R0.23 C=C(Cl)CC(N)C(=O)O Amb28935021 [0,0,0,0,1,0|2,0,0]=3 1194 B8R0.23 C=C(Cl)CC(N)C(N)=O Amb33308519 [0,0,0,0,1,0|3,0,0]=4 1195 B8R0.23 C=C(Cl)C[C@@H](N)C(=O)O Amb32660529 [0,0,0,0,1,0|2,0,0]=3 1196 B8R0.23 C=C(Cl)C[C@@H](N)C(=O)O Amb32660530 [0,0,0,0,1,0|2,0,0]=3 1197 B8R0.23 C=C(Cl)C[C@H](N)C(=O)O Amb28059492 [0,0,0,0,1,0|2,0,0]=3 1198 B8R0.23 C=C(Cl)C[C@H](N)C(=O)O Amb32656263 [0,0,0,0,1,0|2,0,0]=3 1199 B8R0.23 C=C(F)CC(C)C(=O)O Amb27975781 [0,0,0,0,1,0|3,0,0]=4 1200 B8R0.23 C=C(F)CC(Cl)C(=O)O Amb27876022 [0,0,0,0,1,0|3,0,0]=4 1201 B8R0.23 C=C(F)C[C@@H](N)C(=O)O Amb27771842 [0,0,0,0,1,0|2,0,0]=3 1202 B8R0.23 CC(=O)C(=O)CC(=O)O Amb17593364 [0,0,0,0,1,0|2,0,1]=4 1203 B8R0.23 CC(=O)C(Br)CC(=O)O Amb27834306 [0,0,0,0,1,0|2,0,0]=3 1204 B8R0.23 CC(=O)C(C)CC(=O)O Amb18292788 [0,0,0,0,1,0|2,0,0]=3 1205 B8R0.23 CC(=O)C(N)CC(=O)O Amb2697582 [0,0,0,0,1,0|1,0,0]=2 1206 B8R0.23 CC(=O)C(N)CC(N)=O Amb24409504 [0,0,0,0,1,0|2,0,0]=3 1207 B8R0.23 CC(=O)C(O)CC(=O)O Amb25341886 [0,0,0,0,1,0|2,0,0]=3 1208 B8R0.23 CC(=O)CC(=O)C(=O)O Amb18642736 [0,0,0,0,1,0|2,0,1]=4 1209 B8R0.23 CC(=O)CC(C)C(=O)O Amb3939893 [0,0,0,0,1,0|2,0,0]=3 1210 B8R0.23 CC(=O)CC(C)C(C)=O Amb26490545 [0,0,0,0,1,0|3,0,0]=4 1211 B8R0.23 CC(=O)CC(N)C(=O)O Amb18832532 [0,0,0,0,1,0|1,0,0]=2 1212 B8R0.23 CC(=O)CC(N)C(=O)O Amb22546289 [0,0,0,0,1,0|1,0,0]=2 1213 B8R0.23 CC(=O)CC(N)C(N)=O Amb27485103 [0,0,0,0,1,0|2,0,0]=3 1214 B8R0.23 CC(=O)CC(O)C(=O)O Amb22500917 [0,0,0,0,1,0|2,0,0]=3 1215 B8R0.23 CC(=O)C[C@@H](N)C(=O)O Amb22745939 [0,0,0,0,1,0|1,0,0]=2 1216 B8R0.23 CC(=O)C[C@@H](O)C(=O)O Amb26845481 [0,0,0,0,1,0|2,0,0]=3 1217 B8R0.23 CC(=O)C[C@H](C)C(=O)O Amb26318005 [0,0,0,0,1,0|2,0,0]=3 1218 B8R0.23 CC(=O)C[C@H](C)C(C)=O Amb28051038 [0,0,0,0,1,0|3,0,0]=4 1219 B8R0.23 CC(=O)C[C@H](N)C(=O)O Amb27832342 [0,0,0,0,1,0|1,0,0]=2 1220 B8R0.23 CC(=O)C[C@H](O)C(=O)O Amb24358758 [0,0,0,0,1,0|2,0,0]=3 1221 B8R0.23 CC(=O)N(C)CC(=O)O Amb33526797 [0,0,0,0,1,0|3,0,0]=4 1222 B8R0.23 CC(=O)N(Cl)CC(=O)O Amb28366945 [0,0,0,0,1,0|3,0,0]=4 1223 B8R0.23 CC(=O)NC(C)C(=O)O Amb9745652 [0,0,0,0,1,0|3,0,0]=4 1224 B8R0.23 CC(=O)N[C@@H](C)C(=O)O Amb8390375 [0,0,0,0,1,0|3,0,0]=4 1225 B8R0.23 CC(=O)N[C@H](C)C(=O)O Amb19944277 [0,0,0,0,1,0|3,0,0]=4 1226 B8R0.23 CC(=O)OC(C)C(=O)O Amb22360672 [0,0,0,0,1,0|3,0,0]=4 1227 B8R0.23 CC(=O)O[C@@H](C)C(=O)O Amb3938984 [0,0,0,0,1,0|3,0,0]=4 1228 B8R0.23 CC(=O)O[C@H](C)C(=O)O Amb26458759 [0,0,0,0,1,0|3,0,0]=4 1229 B8R0.23 CC(=O)S[C@@H](C)C(=O)O Amb26639910 [0,0,0,0,1,0|3,0,0]=4 1230 B8R0.23 CC(=O)S[C@H](C)C(=O)O Amb28118658 [0,0,0,0,1,0|3,0,0]=4 1231 B8R0.23 CC(=O)[C@@H](N)CC(N)=O Amb28044564 [0,0,0,0,1,0|2,0,0]=3 1232 B8R0.23 CC(=O)[C@@H](O)CC(=O)O Amb28398474 [0,0,0,0,1,0|2,0,0]=3 1233 B8R0.23 CC(=O)[C@H](C)CC(=O)O Amb25360184 [0,0,0,0,1,0|2,0,0]=3 1234 B8R0.23 CC(=O)\C=C(/N)C(=O)O Amb28206217 [0,0,0,0,1,0|1,0,2]=4 1235 B8R0.23 CC(C)C(N)CC(=O)O Amb2436060 [0,0,0,0,1,0|2,0,1]=4 1236 B8R0.23 CC(C)C(N)CC(=O)O Amb31307617 [0,0,0,0,1,0|2,0,1]=4 1237 B8R0.23 CC(C)CC(N)C(=O)O Amb9703094 [0,0,0,0,1,0|2,0,1]=4 1238 B8R0.23 CC(C)C[C@@H](N)C(=O)O Amb2720579 [0,0,0,0,1,0|2,0,1]=4 1239 B8R0.23 CC(C)C[C@H](N)C(=O)O Amb3499446 [0,0,0,0,1,0|2,0,1]=4 1240 B8R0.23 CC(C)[C@@H](N)CC(=O)O Amb16184030 [0,0,0,0,1,0|2,0,1]=4 1241 B8R0.23 CC(C)[C@@H](N)CC(=O)O Amb22226647 [0,0,0,0,1,0|2,0,1]=4 1242 B8R0.23 CC(C)[C@H](N)CC(=O)O Amb16184024 [0,0,0,0,1,0|2,0,1]=4 1243 B8R0.23 CC(C)[C@H](N)CC(=O)O Amb20240790 [0,0,0,0,1,0|2,0,1]=4 1244 B8R0.23 CC(CC(=O)Cl)C(=O)Cl Amb22167294 [0,0,0,0,1,0|3,0,0]=4 1245 B8R0.23 CC(CC(=O)O)C(=O)O Amb1935053 [0,0,0,0,1,0|1,0,0]=2 1246 B8R0.23 CC(CC(=O)O)C(N)=O Amb25737942 [0,0,0,0,1,0|2,0,0]=3 1247 B8R0.23 CC(CC(=O)O)N(C)O Amb27639550 [0,0,0,0,1,0|3,0,0]=4 1248 B8R0.23 CC(CC(N)=O)C(=O)O Amb27596628 [0,0,0,0,1,0|2,0,0]=3 1249 B8R0.23 CC(CC(N)=O)C(N)=O Amb2720769 [0,0,0,0,1,0|3,0,0]=4 1250 B8R0.23 CC(CS(=O)O)C(=O)O Amb28118949 [0,0,0,0,1,0|2,0,0]=3 1251 B8R0.23 CC(CS(C)=O)C(=O)O Amb18974546 [0,0,0,0,1,0|3,0,0]=4 1252 B8R0.23 CC(C[PH](=O)O)C(=O)O Amb27477749 [0,0,0,0,1,0|2,0,0]=3 1253 B8R0.23 CC(Cl)CC(N)C(=O)O Amb28325413 [0,0,0,0,1,0|2,0,1]=4 1254 B8R0.23 CC(N)CC(N)C(=O)O Amb28144636 [0,0,0,0,1,0|2,0,1]=4 1255 B8R0.23 CC(NC(N)=O)C(=O)O Amb9745673 [0,0,0,0,1,0|3,0,0]=4 1256 B8R0.23 CC(O)C(N)CC(=O)O Amb27424723 [0,0,0,0,1,0|1,0,1]=3 1257 B8R0.23 CC(O)C(N)CC(N)=O Amb27246007 [0,0,0,0,1,0|2,0,1]=4 1258 B8R0.23 CC(O)CC(N)C(=O)O Amb18642918 [0,0,0,0,1,0|1,0,1]=3 1259 B8R0.23 CC(O)CC(N)C(N)=O Amb33065888 [0,0,0,0,1,0|2,0,1]=4 1260 B8R0.23 CC(O)C[C@@H](N)C(=O)O Amb26985188 [0,0,0,0,1,0|1,0,1]=3 1261 B8R0.23 CC(O)C[C@H](N)C(=O)O Amb27185464 [0,0,0,0,1,0|1,0,1]=3 1262 B8R0.23 CC(OC(=O)Cl)C(=O)O Amb27241520 [0,0,0,0,1,0|3,0,0]=4 1263 B8R0.23 CN(C)CC(N)C(=O)O Amb23558085 [0,0,0,0,1,0|3,0,0]=4 1264 B8R0.23 CN(C)CC(N)C(=O)O Amb32644516 [0,0,0,0,1,0|3,0,0]=4 1265 B8R0.23 CN(C)CC(N)C(=O)O Amb33756799 [0,0,0,0,1,0|3,0,0]=4 1266 B8R0.23 CN(C)C[C@@H](N)C(=O)O Amb19889770 [0,0,0,0,1,0|3,0,0]=4 1267 B8R0.23 CN(C)C[C@H](N)C(=O)O Amb24078627 [0,0,0,0,1,0|3,0,0]=4 1268 B8R0.23 CN(C)C[C@H](N)C(=O)O Amb8515079 [0,0,0,0,1,0|3,0,0]=4 1269 B8R0.23 CN(CC(=O)O)C(=O)Cl Amb27484119 [0,0,0,0,1,0|3,0,0]=4 1270 B8R0.23 CN(CC(=O)O)C(N)=O Amb2371395 [0,0,0,0,1,0|3,0,0]=4 1271 B8R0.23 CS(=N)C[C@H](N)C(=O)O Amb27838573 [0,0,0,0,1,0|3,0,0]=4 1272 B8R0.23 CS(=O)CC(N)C(=O)O Amb18125279 [0,0,0,0,1,0|2,0,0]=3 1273 B8R0.23 CS(=O)CC(N)C(N)=O Amb27608115 [0,0,0,0,1,0|3,0,0]=4 1274 B8R0.23 CS(=O)C[C@@H](N)C(=O)O Amb22745418 [0,0,0,0,1,0|2,0,0]=3 1275 B8R0.23 CS(=O)C[C@H](N)C(=O)O Amb16232229 [0,0,0,0,1,0|2,0,0]=3 1276 B8R0.23 C[C@@H](CC(=O)O)C(=O)O Amb22226742 [0,0,0,0,1,0|1,0,0]=2 1277 B8R0.23 C[C@@H](Cl)C[C@H](N)C(=O)O Amb27863035 [0,0,0,0,1,0|2,0,1]=4 1278 B8R0.23 C[C@@H](NC(N)=O)C(=O)O Amb27242972 [0,0,0,0,1,0|3,0,0]=4 1279 B8R0.23 C[C@@H](O)C[C@@H](N)C(=O)O Amb27254158 [0,0,0,0,1,0|1,0,1]=3 1280 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O Amb22168848 [0,0,0,0,1,0|1,0,1]=3 1281 B8R0.23 C[C@@H](OC(N)=O)C(=O)O Amb35655773 [0,0,0,0,1,0|3,0,0]=4 1282 B8R0.23 C[C@H](CC(=O)O)C(=O)O Amb22225399 [0,0,0,0,1,0|1,0,0]=2 1283 B8R0.23 C[C@H](CC(=O)O)C(N)=O Amb28133461 [0,0,0,0,1,0|2,0,0]=3 1284 B8R0.23 C[C@H](CC(=O)O)S(C)=O Amb27410588 [0,0,0,0,1,0|3,0,0]=4 1285 B8R0.23 C[C@H](N)C[C@H](N)C(=O)O Amb27815088 [0,0,0,0,1,0|2,0,1]=4 1286 B8R0.23 C[C@H](NC(N)=O)C(=O)O Amb545023 [0,0,0,0,1,0|3,0,0]=4 1287 B8R0.23 C[C@H](O)[C@@H](N)CC(=O)O Amb16184021 [0,0,0,0,1,0|1,0,1]=3 1288 B8R0.23 C[S@@](=O)C[C@H](N)C(=O)O Amb35789128 [0,0,0,0,1,0|2,0,0]=3 1289 B8R0.23 C[S@](=O)C[C@H](N)C(=O)O Amb33756818 [0,0,0,0,1,0|2,0,0]=3 1290 B8R0.23 C[S@](=O)C[C@H](N)C(=O)O Amb35788678 [0,0,0,0,1,0|2,0,0]=3 1291 B8R0.23 C\C(=C/C(=O)O)C(=O)O Amb9703112 [0,0,0,0,1,0|1,0,2]=4 1292 B8R0.23 C\C(=C\C(=O)O)C(=O)O Amb8391132 [0,0,0,0,1,0|1,0,2]=4 1293 B8R0.23 NC(=O)C(N)CC(=O)O Amb18124347 [0,0,0,0,1,0|1,0,0]=2 1294 B8R0.23 NC(=O)C(N)CC(=O)O Amb32666212 [0,0,0,0,1,0|1,0,0]=2 1295 B8R0.23 NC(=O)C(N)CC(=O)O Amb32666239 [0,0,0,0,1,0|1,0,0]=2 1296 B8R0.23 NC(=O)C(O)CC(=O)[O-] Amb33068981 [0,0,0,0,1,0|2,0,1]=4 1297 B8R0.23 NC(=O)CC(Br)C(=O)O Amb26012685 [0,0,0,0,1,0|2,0,0]=3 1298 B8R0.23 NC(=O)CC(Cl)C(=O)O Amb27478086 [0,0,0,0,1,0|2,0,0]=3 1299 B8R0.23 NC(=O)CC(N)C(=O)O Amb2725509 [0,0,0,0,1,0|1,0,0]=2 1300 B8R0.23 NC(=O)CC(N)C(=O)O Amb3940878 [0,0,0,0,1,0|1,0,0]=2 1301 B8R0.23 NC(=O)CC(N)C(N)=O Amb18289248 [0,0,0,0,1,0|2,0,0]=3 1302 B8R0.23 NC(=O)CC(O)C(=O)O Amb27807542 [0,0,0,0,1,0|2,0,0]=3 1303 B8R0.23 NC(=O)CC(O)C(N)=O Amb27961515 [0,0,0,0,1,0|3,0,0]=4 1304 B8R0.23 NC(=O)CC(S)C(=O)O Amb27494183 [0,0,0,0,1,0|2,0,0]=3 1305 B8R0.23 NC(=O)C[C@@H](Br)C(=O)O Amb27858620 [0,0,0,0,1,0|2,0,0]=3 1306 B8R0.23 NC(=O)C[C@@H](N)C(=O)O Amb10071271 [0,0,0,0,1,0|1,0,0]=2 1307 B8R0.23 NC(=O)C[C@@H](N)C(=O)O Amb17749060 [0,0,0,0,1,0|1,0,0]=2 1308 B8R0.23 NC(=O)C[C@@H](N)C(N)=O Amb28423711 [0,0,0,0,1,0|2,0,0]=3 1309 B8R0.23 NC(=O)C[C@@H](O)C(=O)O Amb24681022 [0,0,0,0,1,0|2,0,0]=3 1310 B8R0.23 NC(=O)C[C@@H](O)C(N)=O Amb27258074 [0,0,0,0,1,0|3,0,0]=4 1311 B8R0.23 NC(=O)C[C@@H](S)C(=O)O Amb27234637 [0,0,0,0,1,0|2,0,0]=3 1312 B8R0.23 NC(=O)C[C@H](N)C(=O)O Amb3940760 [0,0,0,0,1,0|1,0,0]=2 1313 B8R0.23 NC(=O)C[C@H](N)C(=O)O Amb8513755 [0,0,0,0,1,0|1,0,0]=2 1314 B8R0.23 NC(=O)C[C@H](N)C(N)=O Amb16183882 [0,0,0,0,1,0|2,0,0]=3 1315 B8R0.23 NC(=O)C[C@H](S)C(=O)O Amb27253643 [0,0,0,0,1,0|2,0,0]=3 1316 B8R0.23 NC(=O)N(N)CC(=O)O Amb6296397 [0,0,0,0,1,0|2,0,0]=3 1317 B8R0.23 NC(=O)NC(O)C(=O)O Amb24592607 [0,0,0,0,1,0|3,0,0]=4 1318 B8R0.23 NC(=O)N[C@@H](O)C(=O)O Amb28287313 [0,0,0,0,1,0|3,0,0]=4 1319 B8R0.23 NC(=O)[C@@H](N)CC(=O)O Amb19334954 [0,0,0,0,1,0|1,0,0]=2 1320 B8R0.23 NC(=O)[C@@H](N)CC(=O)O Amb31291739 [0,0,0,0,1,0|1,0,0]=2 1321 B8R0.23 NC(=O)[C@@H](N)CC(=O)O Amb32652393 [0,0,0,0,1,0|1,0,0]=2 1322 B8R0.23 NC(=O)[C@H](N)CC(=O)O Amb27768775 [0,0,0,0,1,0|1,0,0]=2 1323 B8R0.23 NC(=O)\C(N)=C\C(=O)O Amb28046027 [0,0,0,0,1,0|1,0,2]=4 1324 B8R0.23 NC(=S)C[C@H](N)C(=O)O Amb28410343 [0,0,0,0,1,0|1,1,0]=3 1325 B8R0.23 NC(C=C(Cl)Cl)C(=O)O Amb22350718 [0,0,0,0,1,0|2,0,1]=4 1326 B8R0.23 NC(C=S(=O)=O)C(=O)O Amb27231764 [0,0,0,0,1,0|1,0,2]=4 1327 B8R0.23 NC(CB(O)O)C(=O)O Amb28285179 [0,0,0,0,1,0|1,0,1]=3 1328 B8R0.23 NC(CB(O)O)C(=O)O Amb33803309 [0,0,0,0,1,0|1,0,1]=3 1329 B8R0.23 NC(CC(=O)O)C(=O)O Amb9702780 [0,0,0,0,1,0|0,0,0]=1 1330 B8R0.23 NC(CC(=O)O)C(=O)[O-] Amb22167994 [0,0,0,0,1,0|0,0,1]=2 1331 B8R0.23 NC(CC(=O)O)C(=O)[O-] Amb22337568 [0,0,0,0,1,0|0,0,1]=2 1332 B8R0.23 NC(CC(=O)O)C(Cl)Cl Amb27964120 [0,0,0,0,1,0|2,0,1]=4 1333 B8R0.23 NC(CC(=O)O)C(F)F Amb23570587 [0,0,0,0,1,0|2,0,1]=4 1334 B8R0.23 NC(CC(Cl)Cl)C(=O)O Amb27791749 [0,0,0,0,1,0|2,0,1]=4 1335 B8R0.23 NC(CC(F)F)C(=O)O Amb13952714 [0,0,0,0,1,0|2,0,1]=4 1336 B8R0.23 NC(CC(F)F)C(=O)O Amb33546007 [0,0,0,0,1,0|2,0,1]=4 1337 B8R0.23 NC(CS(=O)O)C(=O)O Amb541272 [0,0,0,0,1,0|1,0,0]=2 1338 B8R0.23 N[C@@H](CC(=O)O)C(=O)O Amb34163080 [0,0,0,0,1,0|0,0,0]=1 1339 B8R0.23 N[C@@H](CC(=O)O)C(=O)O Amb3940320 [0,0,0,0,1,0|0,0,0]=1 1340 B8R0.23 N[C@@H](CC(=O)O)C(=O)[O-] Amb22801032 [0,0,0,0,1,0|0,0,1]=2 1341 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)O Amb20240565 [0,0,0,0,1,0|0,0,1]=2 1342 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)O Amb22748769 [0,0,0,0,1,0|0,0,1]=2 1343 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)[O-] Amb22757383 [0,0,0,0,1,0|0,0,2]=3 1344 B8R0.23 N[C@@H](CC(F)F)C(=O)O Amb26944439 [0,0,0,0,1,0|2,0,1]=4 1345 B8R0.23 N[C@@H](CC(F)F)C(=O)O Amb33482837 [0,0,0,0,1,0|2,0,1]=4 1346 B8R0.23 N[C@@H](CS(=O)O)C(=O)O Amb6600148 [0,0,0,0,1,0|1,0,0]=2 1347 B8R0.23 N[C@@H](CS(=O)O)C(=O)O Amb9809803 [0,0,0,0,1,0|1,0,0]=2 1348 B8R0.23 N[C@@H](C[SH](=O)=O)C(=O)O Amb27858626 [0,0,0,0,1,0|1,0,1]=3 1349 B8R0.23 N[C@H](CC(=O)O)C(=O)O Amb6599992 [0,0,0,0,1,0|0,0,0]=1 1350 B8R0.23 N[C@H](CC(F)F)C(=O)O Amb25117310 [0,0,0,0,1,0|2,0,1]=4 1351 B8R0.23 N[C@H](CC(F)F)C(=O)O Amb33743521 [0,0,0,0,1,0|2,0,1]=4 1352 B8R0.23 O=C(Cl)CC(Cl)C(=O)Cl Amb28122555 [0,0,0,0,1,0|3,0,0]=4 1353 B8R0.23 O=C(O)C(=O)C[PH](=O)O Amb27218009 [0,0,0,0,1,0|2,0,1]=4 1354 B8R0.23 O=C(O)C(O)CC(O)O Amb28397948 [0,0,0,0,1,0|1,0,2]=4 1355 B8R0.23 O=C(O)C(O)C[N+](=O)[O-] Amb6883775 [0,0,0,0,1,0|2,0,1]=4 1356 B8R0.23 O=C(O)CC(=O)C(=O)O Amb3909986 [0,0,0,0,1,0|1,0,1]=3 1357 B8R0.23 O=C(O)CC(=S)C(=O)O Amb25304511 [0,0,0,0,1,0|1,0,1]=3 1358 B8R0.23 O=C(O)CC(Br)C(=O)O Amb3941503 [0,0,0,0,1,0|1,0,0]=2 1359 B8R0.23 O=C(O)CC(Cl)C(=O)O Amb9825869 [0,0,0,0,1,0|1,0,0]=2 1360 B8R0.23 O=C(O)CC(O)C(=O)O Amb8513238 [0,0,0,0,1,0|1,0,0]=2 1361 B8R0.23 O=C(O)CC(S)C(=O)O Amb2779994 [0,0,0,0,1,0|1,0,0]=2 1362 B8R0.23 O=C(O)C[C@@H](Br)C(=O)O Amb22504149 [0,0,0,0,1,0|1,0,0]=2 1363 B8R0.23 O=C(O)C[C@@H](Cl)C(=O)O Amb20242424 [0,0,0,0,1,0|1,0,0]=2 1364 B8R0.23 O=C(O)C[C@@H](F)C(=O)O Amb27173500 [0,0,0,0,1,0|1,0,0]=2 1365 B8R0.23 O=C(O)C[C@@H](O)C(=O)O Amb4166311 [0,0,0,0,1,0|1,0,0]=2 1366 B8R0.23 O=C(O)C[C@H](Br)C(=O)O Amb8629197 [0,0,0,0,1,0|1,0,0]=2 1367 B8R0.23 O=C(O)C[C@H](Cl)C(=O)O Amb20242425 [0,0,0,0,1,0|1,0,0]=2 1368 B8R0.23 O=C(O)C[C@H](F)C(=O)O Amb27167819 [0,0,0,0,1,0|1,0,0]=2 1369 B8R0.23 O=C(O)C[C@H](O)C(=O)O Amb6599993 [0,0,0,0,1,0|1,0,0]=2 1370 B8R0.23 O=C(O)\C=C(/Br)C(=O)O Amb31275762 [0,0,0,0,1,0|1,0,2]=4 1371 B8R0.23 O=C(O)\C=C(/Cl)C(=O)O Amb4007497 [0,0,0,0,1,0|1,0,2]=4 1372 B8R0.23 O=C(O)\C=C(/F)C(=O)O Amb26860064 [0,0,0,0,1,0|1,0,2]=4 1373 B8R0.23 O=C(O)\C=C(/I)C(=O)O Amb10755055 [0,0,0,0,1,0|1,0,2]=4 1374 B8R0.23 O=C(O)\C=C(\Br)C(=O)O Amb25746120 [0,0,0,0,1,0|1,0,2]=4 1375 B8R0.23 O=C(O)\C=C(\F)C(=O)O Amb18124397 [0,0,0,0,1,0|1,0,2]=4 1376 B8R0.23 O=C([O-])CC(O)C(=O)[O-] Amb30876864 [0,0,0,0,1,0|1,0,2]=4 1377 B8R0.23 O=C([O-])C[C@H](O)C(=O)[O-] Amb22351833 [0,0,0,0,1,0|1,0,2]=4 1378 B10R0.96 CC(=O)CC(C)CCC(=O)O Amb32667485 [0,0,0,0,0,1|2,0,0]=3 1379 B10R0.96 CC(=O)CCC(C)CC(=O)O Amb32668383 [0,0,0,0,0,1|2,0,0]=3 1380 B10R0.96 CC(=O)NC(C)CCC(=O)O Amb27492061 [0,0,0,0,0,1|2,0,0]=3 1381 B10R0.96 CC(=O)NCC(O)CC(=O)O Amb28079665 [0,0,0,0,0,1|3,0,0]=4 1382 B10R0.96 CC(=O)NN(C)CCC(=O)O Amb24764551 [0,0,0,0,0,1|3,0,0]=4 1383 B10R0.96 CC(C)CC(N)CCC(=O)O Amb18177652 [0,0,0,0,0,1|2,0,1]=4 1384 B10R0.96 CC(C)CCC(N)CC(=O)O Amb18830323 [0,0,0,0,0,1|2,0,1]=4 1385 B10R0.96 CC(CCC(=O)Cl)CC(=O)Cl Amb3940506 [0,0,0,0,0,1|3,0,0]=4 1386 B10R0.96 CC(CCC(=O)O)CC(=O)O Amb6608722 [0,0,0,0,0,1|1,0,0]=2 1387 B10R0.96 CC(CCC(=O)O)NC(N)=O Amb27492066 [0,0,0,0,0,1|2,0,0]=3 1388 B10R0.96 CN(C)CCC(N)CC(=O)O Amb33273734 [0,0,0,0,0,1|3,0,0]=4 1389 B10R0.96 CN(CCC(=O)O)CC(N)=O Amb8957129 [0,0,0,0,0,1|3,0,0]=4 1390 B10R0.96 NC(=O)CC[C@@H](N)CC(=O)O Amb22746285 [0,0,0,0,0,1|1,0,0]=2 1391 B10R0.96 NC(=O)CC[C@H](N)CC(=O)O Amb22348459 [0,0,0,0,0,1|1,0,0]=2 1392 B10R0.96 NC(=O)NCC(O)CC(=O)O Amb28079675 [0,0,0,0,0,1|3,0,0]=4 1393 B10R0.96 NC(CCC(=O)O)CC(=O)O Amb8631356 [0,0,0,0,0,1|0,0,0]=1 1394 B10R0.96 N[C@@H](CCC(=O)O)CC(=O)O Amb16232070 [0,0,0,0,0,1|0,0,0]=1 1395 B10R0.96 N[C@H](CCC(=O)O)CC(=O)O Amb22750585 [0,0,0,0,0,1|0,0,0]=1 1396 B10R0.96 O=C(O)CCC(O)CC(=O)O Amb22727761 [0,0,0,0,0,1|1,0,0]=2 1397 B10R0.96 O=C(O)CNC(=O)CC(=O)O Amb18800491 [0,0,0,0,0,1|2,0,1]=4 1398 B10R0.98 CC(=O)CCCC(N)C(=O)O Amb33036722 [0,0,0,0,0,1|1,0,0]=2 1399 B10R0.98 CC(=O)CCCC(N)C(N)=O Amb33308963 [0,0,0,0,0,1|2,0,0]=3 1400 B10R0.98 CC(=O)CCC[C@@H](N)C(=O)O Amb32937025 [0,0,0,0,0,1|1,0,0]=2 1401 B10R0.98 CC(=O)CCC[C@H](N)C(=O)O Amb32865922 [0,0,0,0,0,1|1,0,0]=2 1402 B10R0.98 CC(=O)CCNC(C)C(=O)O Amb32675829 [0,0,0,0,0,1|2,0,0]=3 1403 B10R0.98 CC(=O)CSCC(=O)C(=O)O Amb33069919 [0,0,0,0,0,1|2,0,1]=4 1404 B10R0.98 CC(=O)N(C)CCCC(=O)O Amb9203971 [0,0,0,0,0,1|3,0,0]=4 1405 B10R0.98 CC(=O)NCCC(C)C(=O)O Amb27270987 [0,0,0,0,0,1|2,0,0]=3 1406 B10R0.98 CC(=O)NCC[C@H](N)C(=O)O Amb26659493 [0,0,0,0,0,1|1,0,0]=2 1407 B10R0.98 CC(=O)NCC[C@H](O)C(=O)O Amb27670710 [0,0,0,0,0,1|2,0,0]=3 1408 B10R0.98 CC(=O)OCCC(Cl)C(C)=O Amb16234124 [0,0,0,0,0,1|3,0,0]=4 1409 B10R0.98 CC(C)=CCCC(N)C(=O)O Amb27001257 [0,0,0,0,0,1|2,0,0]=3 1410 B10R0.98 CC(C)=CCCC(N)C(N)=O Amb33065941 [0,0,0,0,0,1|3,0,0]=4 1411 B10R0.98 CC(C)=CCC[C@@H](N)C(=O)O Amb33065465 [0,0,0,0,0,1|2,0,0]=3 1412 B10R0.98 CC(C)=CCC[C@H](N)C(=O)O Amb25383796 [0,0,0,0,0,1|2,0,0]=3 1413 B10R0.98 CC(C)=CSCC(N)C(=O)O Amb25386034 [0,0,0,0,0,1|2,0,1]=4 1414 B10R0.98 CC(C)CCCC(N)C(=O)O Amb30584746 [0,0,0,0,0,1|2,0,1]=4 1415 B10R0.98 CC(C)CCCC(N)C(=O)O Amb32679429 [0,0,0,0,0,1|2,0,1]=4 1416 B10R0.98 CC(C)CCC[C@@H](N)C(=O)O Amb22745714 [0,0,0,0,0,1|2,0,1]=4 1417 B10R0.98 CC(C)CCC[C@H](N)C(=O)O Amb34161240 [0,0,0,0,0,1|2,0,1]=4 1418 B10R0.98 CC(C)COCC(N)C(=O)O Amb18788052 [0,0,0,0,0,1|2,0,1]=4 1419 B10R0.98 CC(C)COC[C@@H](N)C(=O)O Amb33065410 [0,0,0,0,0,1|2,0,1]=4 1420 B10R0.98 CC(C)COC[C@H](N)C(=O)O Amb32668496 [0,0,0,0,0,1|2,0,1]=4 1421 B10R0.98 CC(C)OCCC(N)C(=O)O Amb18180011 [0,0,0,0,0,1|2,0,1]=4 1422 B10R0.98 CC(C)OCC[C@@H](N)C(=O)O Amb31295667 [0,0,0,0,0,1|2,0,1]=4 1423 B10R0.98 CC(C)OCC[C@H](N)C(=O)O Amb33036708 [0,0,0,0,0,1|2,0,1]=4 1424 B10R0.98 CC(C)SCCC(N)C(=O)O Amb18180682 [0,0,0,0,0,1|2,0,1]=4 1425 B10R0.98 CC(C)SCC[C@@H](N)C(=O)O Amb33069965 [0,0,0,0,0,1|2,0,1]=4 1426 B10R0.98 CC(C)SCC[C@H](N)C(=O)O Amb33065836 [0,0,0,0,0,1|2,0,1]=4 1427 B10R0.98 CC(CCNC(N)=O)C(=O)O Amb27270986 [0,0,0,0,0,1|2,0,0]=3 1428 B10R0.98 CC(NCCC(=O)O)C(=O)O Amb18098310 [0,0,0,0,0,1|1,0,0]=2 1429 B10R0.98 CC(O)CCCC(N)C(=O)O Amb32941153 [0,0,0,0,0,1|1,0,1]=3 1430 B10R0.98 CC(O)CCCC(N)C(N)=O Amb33308669 [0,0,0,0,0,1|2,0,1]=4 1431 B10R0.98 CC(O)CCC[C@@H](N)C(=O)O Amb33066250 [0,0,0,0,0,1|1,0,1]=3 1432 B10R0.98 CC(O)CCC[C@H](N)C(=O)O Amb33127508 [0,0,0,0,0,1|1,0,1]=3 1433 B10R0.98 CC(SCCC(=O)O)C(=O)O Amb17501234 [0,0,0,0,0,1|1,0,0]=2 1434 B10R0.98 CC(SCCC(=O)O)C(N)=O Amb9202514 [0,0,0,0,0,1|2,0,0]=3 1435 B10R0.98 CC(S\C=C\C(=O)O)C(=O)O Amb18647961 [0,0,0,0,0,1|1,0,2]=4 1436 B10R0.98 CN(C)CCCC(N)C(=O)O Amb18199837 [0,0,0,0,0,1|3,0,0]=4 1437 B10R0.98 CN(C)CCC[C@@H](N)C(=O)O Amb31295703 [0,0,0,0,0,1|3,0,0]=4 1438 B10R0.98 CN(C)CCC[C@H](N)C(=O)O Amb33036715 [0,0,0,0,0,1|3,0,0]=4 1439 B10R0.98 N=C(N)NCC[C@@H](N)C(=O)O Amb27266501 [0,0,0,0,0,1|2,0,0]=3 1440 B10R0.98 N=C(N)NCC[C@H](N)C(=O)O Amb20240584 [0,0,0,0,0,1|2,0,0]=3 1441 B10R0.98 NC(=O)CCNC(=O)C(=O)O Amb9416245 [0,0,0,0,0,1|2,0,1]=4 1442 B10R0.98 NC(=O)CSCC(=O)C(=O)O Amb33069776 [0,0,0,0,0,1|2,0,1]=4 1443 B10R0.98 NC(=O)NCCC(O)C(=O)O Amb27670719 [0,0,0,0,0,1|2,0,0]=3 1444 B10R0.98 NC(=O)NCC[C@H](O)C(=O)O Amb27670720 [0,0,0,0,0,1|2,0,0]=3 1445 B10R0.98 NC(CCCC(=O)O)C(=O)O Amb22740152 [0,0,0,0,0,1|0,0,0]=1 1446 B10R0.98 NC(CCCC(=O)O)C(=O)O Amb6334822 [0,0,0,0,0,1|0,0,0]=1 1447 B10R0.98 NC(CCCC(F)F)C(=O)O Amb32788578 [0,0,0,0,0,1|2,0,1]=4 1448 B10R0.98 NC(CSC=C(Cl)Cl)C(=O)O Amb27673666 [0,0,0,0,0,1|2,0,1]=4 1449 B10R0.98 NC(CSCC(=O)O)C(=O)O Amb6740297 [0,0,0,0,0,1|0,0,0]=1 1450 B10R0.98 NC(C\C=C\B(O)O)C(=O)O Amb27673479 [0,0,0,0,0,1|1,0,2]=4 1451 B10R0.98 NC(N)=NCCC(N)C(=O)O Amb22492813 [0,0,0,0,0,1|2,0,0]=3 1452 B10R0.98 NC(N)=NCC[C@H](N)C(=O)O Amb33842525 [0,0,0,0,0,1|2,0,0]=3 1453 B10R0.98 N[C@@H](CCCC(=O)O)C(=O)O Amb6600090 [0,0,0,0,0,1|0,0,0]=1 1454 B10R0.98 N[C@@H](CCCC(F)F)C(=O)O Amb33066046 [0,0,0,0,0,1|2,0,1]=4 1455 B10R0.98 N[C@@H](CSC=C(Cl)Cl)C(=O)O Amb25384396 [0,0,0,0,0,1|2,0,1]=4 1456 B10R0.98 N[C@@H](CSCC(=O)O)C(=O)O Amb16232500 [0,0,0,0,0,1|0,0,0]=1 1457 B10R0.98 N[C@@H](CSCC(=O)O)C(=O)O Amb6336477 [0,0,0,0,0,1|0,0,0]=1 1458 B10R0.98 N[C@@H](C\C=C\B(O)O)C(=O)O Amb25384261 [0,0,0,0,0,1|1,0,2]=4 1459 B10R0.98 N[C@H](CCCC(=O)O)C(=O)O Amb8629031 [0,0,0,0,0,1|0,0,0]=1 1460 B10R0.98 N[C@H](CCCC(F)F)C(=O)O Amb33309003 [0,0,0,0,0,1|2,0,1]=4 1461 B10R0.98 N[C@H](C\C=C\C(=O)O)C(=O)O Amb25383155 [0,0,0,0,0,1|0,0,1]=2 1462 B10R0.98 O=C(O)CCCC(O)C(=O)O Amb21963897 [0,0,0,0,0,1|1,0,0]=2 1463 B10R0.98 O=C(O)CONC(=O)C(=O)O Amb16185780 [0,0,0,0,0,1|2,0,1]=4 1464 B10R0.98 O=C(O)CSCC(=O)C(=O)O Amb33069681 [0,0,0,0,0,1|1,0,1]=3 1465 B10R0.98 O=C(O)C\C=C/C(=O)C(=O)O Amb27269966 [0,0,0,0,0,1|1,0,2]=4 1466 B10R0.98 O=C([O-])CCCC(O)C(=O)[O-] Amb22284811 [0,0,0,0,0,1|1,0,2]=4 1467 B7R0.3 C=CC(N)CCC=O Amb33036368 [2,0,0,0,0,0|1,0,0]=3 1468 B7R0.3 C=CCCC(C)C=O Amb25100921 [2,0,0,0,0,0|2,0,0]=4 1469 B7R0.3 C=CCCC(N)CO Amb33532619 [2,0,0,0,0,0|1,0,1]=4 1470 B7R0.3 C=CCCC(O)C=O Amb27863605 [2,0,0,0,0,0|2,0,0]=4 1471 B7R0.3 C=CCC[C@H](C)C=O Amb27799770 [2,0,0,0,0,0|2,0,0]=4 1472 B7R0.3 C=CCC[C@H](N)CO Amb27390564 [2,0,0,0,0,0|1,0,1]=4 1473 B7R0.3 C=C[C@@H](C)CCC=O Amb25025116 [2,0,0,0,0,0|2,0,0]=4 1474 B7R0.3 CCC(N)CCC=O Amb33036216 [2,0,0,0,0,0|1,0,1]=4 1475 B7R0.3 CCCCC(N)C=O Amb28422291 [2,0,0,0,0,0|1,0,1]=4 1476 B7R0.3 COCCC(N)C=O Amb28397866 [2,0,0,0,0,0|2,0,0]=4 1477 B7R0.3 NC(CO)CCCO Amb18641979 [2,0,0,0,0,0|0,0,2]=4 1478 B7R0.3 NCCC[C@H](N)C=O Amb27838296 [2,0,0,0,0,0|1,0,1]=4 1479 B7R0.3 N[C@@H](CO)CCCO Amb28254525 [2,0,0,0,0,0|0,0,2]=4 1480 B7R0.3 N[C@H](CO)CCCO Amb24117047 [2,0,0,0,0,0|0,0,2]=4 1481 B7R0.3 O=CC(Cl)CCCO Amb27831369 [2,0,0,0,0,0|1,0,1]=4 1482 B7R0.3 O=CCCC(Cl)C=O Amb27232955 [2,0,0,0,0,0|1,0,0]=3 1483 B7R0.3 O=C[C@H](O)CCCO Amb27164637 [2,0,0,0,0,0|1,0,1]=4 1484 B7R0.4 C#CCCCC(=O)O Amb2721705 [2,0,0,0,0,0|1,0,1]=4 1485 B7R0.4 C=C(Cl)CCCC=O Amb27751311 [2,0,0,0,0,0|2,0,0]=4 1486 B7R0.4 C=CCCCC(=O)Cl Amb8392411 [2,0,0,0,0,0|2,0,0]=4 1487 B7R0.4 C=CCCCC(=O)O Amb3941675 [2,0,0,0,0,0|1,0,0]=3 1488 B7R0.4 C=CCCCC(C)=O Amb17593171 [2,0,0,0,0,0|2,0,0]=4 1489 B7R0.4 C=CCNCC(=O)O Amb7766404 [2,0,0,0,0,0|2,0,0]=4 1490 B7R0.4 C=CCNCC(=O)O Amb8631497 [2,0,0,0,0,0|2,0,0]=4 1491 B7R0.4 C=CCOCC(=O)O Amb9208694 [2,0,0,0,0,0|2,0,0]=4 1492 B7R0.4 C=CCSCC(=O)O Amb33526723 [2,0,0,0,0,0|2,0,0]=4 1493 B7R0.4 C=CNCCC(=O)O Amb27429817 [2,0,0,0,0,0|2,0,0]=4 1494 B7R0.4 C=COCCC(=O)O Amb28350126 [2,0,0,0,0,0|2,0,0]=4 1495 B7R0.4 CC(=O)CCCCO Amb10603864 [2,0,0,0,0,0|1,0,1]=4 1496 B7R0.4 CC(=O)NCCC=O Amb17102165 [2,0,0,0,0,0|2,0,0]=4 1497 B7R0.4 CC(=O)SCCC=O Amb25101351 [2,0,0,0,0,0|2,0,0]=4 1498 B7R0.4 CC(O)CCCC=O Amb18641887 [2,0,0,0,0,0|1,0,1]=4 1499 B7R0.4 CCCCCC(=O)O Amb3939846 [2,0,0,0,0,0|1,0,1]=4 1500 B7R0.4 CNCCCC(=O)O Amb1153115 [2,0,0,0,0,0|2,0,0]=4 1501 B7R0.4 CNCCCC(=O)O Amb4521435 [2,0,0,0,0,0|2,0,0]=4 1502 B7R0.4 COCCCC(=O)O Amb6275629 [2,0,0,0,0,0|2,0,0]=4 1503 B7R0.4 CSCCCC(=O)O Amb17503622 [2,0,0,0,0,0|2,0,0]=4 1504 B7R0.4 C\C=C\CCC(=O)O Amb34910859 [2,0,0,0,0,0|1,0,1]=4 1505 B7R0.4 N#CCCCC(=O)O Amb33542831 [2,0,0,0,0,0|1,0,1]=4 1506 B7R0.4 NC(=O)CCCCO Amb3939470 [2,0,0,0,0,0|1,0,1]=4 1507 B7R0.4 NCCCCC(=O)O Amb2780021 [2,0,0,0,0,0|1,0,1]=4 1508 B7R0.4 NCCCCC(=O)O Amb3941646 [2,0,0,0,0,0|1,0,1]=4 1509 B7R0.4 NCCCCC(=O)O Amb9825855 [2,0,0,0,0,0|1,0,1]=4 1510 B7R0.4 NOCCCC(=O)O Amb10975956 [2,0,0,0,0,0|2,0,0]=4 1511 B7R0.4 NOCCCC(=O)O Amb22011795 [2,0,0,0,0,0|2,0,0]=4 1512 B7R0.4 NOCCCC(=O)O Amb31283653 [2,0,0,0,0,0|2,0,0]=4 1513 B7R0.4 O=C(O)CCCCBr Amb6608763 [2,0,0,0,0,0|1,0,1]=4 1514 B7R0.4 O=C(O)CCCCCl Amb3940369 [2,0,0,0,0,0|1,0,1]=4 1515 B7R0.4 O=C(O)CCCCF Amb26639920 [2,0,0,0,0,0|1,0,1]=4 1516 B7R0.4 O=C(O)CCCCO Amb9214971 [2,0,0,0,0,0|0,0,1]=3 1517 B7R0.4 O=C(O)CCCCS Amb17503767 [2,0,0,0,0,0|0,1,1]=4 1518 B7R0.4 O=C(O)CCCNCl Amb27173950 [2,0,0,0,0,0|2,0,0]=4 1519 B7R0.4 O=C(O)CC\C=C\Br Amb25238247 [2,0,0,0,0,0|1,0,1]=4 1520 B7R0.4 O=C(O)CC\C=N\O Amb27211579 [2,0,0,0,0,0|1,0,1]=4 1521 B7R0.4 O=C(O)CNCCO Amb9325653 [2,0,0,0,0,0|1,0,1]=4 1522 B7R0.4 O=C(O)COCCO Amb6680914 [2,0,0,0,0,0|1,0,1]=4 1523 B7R0.4 O=C([O-])CCCCO Amb13952763 [2,0,0,0,0,0|0,0,2]=4 1524 B7R0.4 O=C([O-])CCCCO Amb22749314 [2,0,0,0,0,0|0,0,2]=4 1525 B7R0.4 O=C=NCCC(=O)O Amb26053417 [2,0,0,0,0,0|1,0,1]=4 1526 B7R0.4 O=CCCCC(=O)O Amb17593198 [2,0,0,0,0,0|0,0,0]=2 1527 B7R0.4 O=CCCCC(O)O Amb25889261 [2,0,0,0,0,0|0,0,2]=4 1528 B7R0.4 O=CNCCC(=O)O Amb18290434 [2,0,0,0,0,0|1,0,0]=3 1529 B7R0.4 O=CNOCC(=O)O Amb27477273 [2,0,0,0,0,0|2,0,0]=4 1530 B7R0.4 O=NSCCC(=O)O Amb28429846 [2,0,0,0,0,0|2,0,0]=4 1531 B7R0.5 C#CCC(N)C(=O)O Amb19944472 [2,0,0,0,0,0|0,0,2]=4 1532 B7R0.5 C#CCC(N)C(=O)O Amb9721758 [2,0,0,0,0,0|0,0,2]=4 1533 B7R0.5 C#CC[C@@H](N)C(=O)O Amb16183954 [2,0,0,0,0,0|0,0,2]=4 1534 B7R0.5 C#CC[C@@H](N)C(=O)O Amb22748688 [2,0,0,0,0,0|0,0,2]=4 1535 B7R0.5 C#CC[C@H](N)C(=O)O Amb8396606 [2,0,0,0,0,0|0,0,2]=4 1536 B7R0.5 C=C(C)C(N)CCO Amb27391185 [2,0,0,0,0,0|2,0,0]=4 1537 B7R0.5 C=C(CCO)C(=O)O Amb27173904 [2,0,0,0,0,0|1,0,1]=4 1538 B7R0.5 C=CCC(C)C(=O)O Amb33545044 [2,0,0,0,0,0|1,0,1]=4 1539 B7R0.5 C=CCC(Cl)C(=O)O Amb25056173 [2,0,0,0,0,0|1,0,1]=4 1540 B7R0.5 C=CCC(F)C(=O)O Amb28071391 [2,0,0,0,0,0|1,0,1]=4 1541 B7R0.5 C=CCC(N)C(=O)Cl Amb27413912 [2,0,0,0,0,0|1,0,1]=4 1542 B7R0.5 C=CCC(N)C(=O)O Amb21856826 [2,0,0,0,0,0|0,0,1]=3 1543 B7R0.5 C=CCC(N)C(=O)O Amb9729145 [2,0,0,0,0,0|0,0,1]=3 1544 B7R0.5 C=CCC(N)C(C)=O Amb27194092 [2,0,0,0,0,0|1,0,1]=4 1545 B7R0.5 C=CCC(N)C(N)=O Amb26585896 [2,0,0,0,0,0|1,0,1]=4 1546 B7R0.5 C=CC[C@@H](N)C(=O)O Amb22745310 [2,0,0,0,0,0|0,0,1]=3 1547 B7R0.5 C=CC[C@@H](N)C(=O)O Amb8389451 [2,0,0,0,0,0|0,0,1]=3 1548 B7R0.5 C=CC[C@@H](N)C(N)=O Amb27838370 [2,0,0,0,0,0|1,0,1]=4 1549 B7R0.5 C=CC[C@H](N)C(=O)Cl Amb28120452 [2,0,0,0,0,0|1,0,1]=4 1550 B7R0.5 C=CC[C@H](N)C(=O)O Amb10982568 [2,0,0,0,0,0|0,0,1]=3 1551 B7R0.5 C=CC[C@H](N)C(=O)O Amb2699115 [2,0,0,0,0,0|0,0,1]=3 1552 B7R0.5 CC(=O)C(Br)CCO Amb27858653 [2,0,0,0,0,0|2,0,0]=4 1553 B7R0.5 CC(=O)C(C)CCO Amb13881368 [2,0,0,0,0,0|2,0,0]=4 1554 B7R0.5 CC(=O)C(Cl)CC=O Amb18642970 [2,0,0,0,0,0|2,0,0]=4 1555 B7R0.5 CC(=O)C(Cl)CCO Amb4017890 [2,0,0,0,0,0|2,0,0]=4 1556 B7R0.5 CC(=O)C(N)CCO Amb25087112 [2,0,0,0,0,0|1,0,0]=3 1557 B7R0.5 CC(=O)C(S)CCO Amb25831127 [2,0,0,0,0,0|2,0,0]=4 1558 B7R0.5 CC(=O)[C@@H](N)CCO Amb28410323 [2,0,0,0,0,0|1,0,0]=3 1559 B7R0.5 CC(=O)[C@H](O)CC=O Amb27446551 [2,0,0,0,0,0|2,0,0]=4 1560 B7R0.5 CC(CC=O)C(=O)O Amb27952476 [2,0,0,0,0,0|1,0,0]=3 1561 B7R0.5 CC(CCBr)C(=O)O Amb27409152 [2,0,0,0,0,0|2,0,0]=4 1562 B7R0.5 CC(CCF)C(=O)O Amb24678386 [2,0,0,0,0,0|2,0,0]=4 1563 B7R0.5 CC(CCN)C(=O)O Amb20667970 [2,0,0,0,0,0|2,0,0]=4 1564 B7R0.5 CC(CCN)C(=O)O Amb538221 [2,0,0,0,0,0|2,0,0]=4 1565 B7R0.5 CC(CCO)C(=O)O Amb18641949 [2,0,0,0,0,0|1,0,0]=3 1566 B7R0.5 CC(CCO)C(=O)[O-] Amb33330478 [2,0,0,0,0,0|1,0,1]=4 1567 B7R0.5 CC(CCO)C(N)=O Amb28280962 [2,0,0,0,0,0|2,0,0]=4 1568 B7R0.5 CC(CNO)C(=O)O Amb28315956 [2,0,0,0,0,0|2,0,0]=4 1569 B7R0.5 CC(NC=O)C(=O)O Amb1144629 [2,0,0,0,0,0|2,0,0]=4 1570 B7R0.5 CC(NCO)C(=O)O Amb27468253 [2,0,0,0,0,0|2,0,0]=4 1571 B7R0.5 CC(OC=O)C(=O)O Amb27872094 [2,0,0,0,0,0|2,0,0]=4 1572 B7R0.5 CCCC(Br)C(=O)O Amb2795765 [2,0,0,0,0,0|1,0,1]=4 1573 B7R0.5 CCCC(C)C(=O)O Amb3938958 [2,0,0,0,0,0|1,0,1]=4 1574 B7R0.5 CCCC(Cl)C(=O)O Amb17593470 [2,0,0,0,0,0|1,0,1]=4 1575 B7R0.5 CCCC(F)C(=O)O Amb25842008 [2,0,0,0,0,0|1,0,1]=4 1576 B7R0.5 CCCC(N)C(=O)O Amb6262055 [2,0,0,0,0,0|0,0,1]=3 1577 B7R0.5 CCCC(N)C(C)=O Amb27838289 [2,0,0,0,0,0|1,0,1]=4 1578 B7R0.5 CCCC(N)C(N)=O Amb22284825 [2,0,0,0,0,0|1,0,1]=4 1579 B7R0.5 CCCC(N)C(N)=O Amb9514970 [2,0,0,0,0,0|1,0,1]=4 1580 B7R0.5 CCCC(O)C(=O)O Amb2818222 [2,0,0,0,0,0|1,0,1]=4 1581 B7R0.5 CCCC(S)C(=O)O Amb18124440 [2,0,0,0,0,0|1,0,1]=4 1582 B7R0.5 CCC[C@@H](C)C(=O)O Amb10844028 [2,0,0,0,0,0|1,0,1]=4 1583 B7R0.5 CCC[C@@H](Cl)C(=O)O Amb27266071 [2,0,0,0,0,0|1,0,1]=4 1584 B7R0.5 CCC[C@@H](N)C(=O)O Amb8514700 [2,0,0,0,0,0|0,0,1]=3 1585 B7R0.5 CCC[C@@H](N)C(C)=O Amb35659946 [2,0,0,0,0,0|1,0,1]=4 1586 B7R0.5 CCC[C@@H](N)C(N)=O Amb22745048 [2,0,0,0,0,0|1,0,1]=4 1587 B7R0.5 CCC[C@@H](N)C(N)=O Amb24505187 [2,0,0,0,0,0|1,0,1]=4 1588 B7R0.5 CCC[C@@H](O)C(=O)O Amb22746731 [2,0,0,0,0,0|1,0,1]=4 1589 B7R0.5 CCC[C@H](Br)C(=O)O Amb26515784 [2,0,0,0,0,0|1,0,1]=4 1590 B7R0.5 CCC[C@H](C)C(=O)O Amb10844037 [2,0,0,0,0,0|1,0,1]=4 1591 B7R0.5 CCC[C@H](Cl)C(=O)O Amb27801931 [2,0,0,0,0,0|1,0,1]=4 1592 B7R0.5 CCC[C@H](N)C(=O)O Amb30647420 [2,0,0,0,0,0|0,0,1]=3 1593 B7R0.5 CCC[C@H](N)C(=O)O Amb8514701 [2,0,0,0,0,0|0,0,1]=3 1594 B7R0.5 CCC[C@H](N)C(C)=O Amb35662324 [2,0,0,0,0,0|1,0,1]=4 1595 B7R0.5 CCC[C@H](N)C(N)=O Amb26916392 [2,0,0,0,0,0|1,0,1]=4 1596 B7R0.5 CCC[C@H](N)C(N)=O Amb33813498 [2,0,0,0,0,0|1,0,1]=4 1597 B7R0.5 CCC[C@H](O)C(=O)O Amb22226514 [2,0,0,0,0,0|1,0,1]=4 1598 B7R0.5 CCC[C@H](S)C(=O)O Amb28045752 [2,0,0,0,0,0|1,0,1]=4 1599 B7R0.5 CNCC(N)C(=O)O Amb10845350 [2,0,0,0,0,0|1,0,1]=4 1600 B7R0.5 CNC[C@H](N)C(=O)O Amb17617148 [2,0,0,0,0,0|1,0,1]=4 1601 B7R0.5 CNC[C@H](N)C(=O)O Amb19892230 [2,0,0,0,0,0|1,0,1]=4 1602 B7R0.5 COCC(N)C(=O)O Amb33551350 [2,0,0,0,0,0|1,0,1]=4 1603 B7R0.5 COCC(N)C(=O)O Amb6752055 [2,0,0,0,0,0|1,0,1]=4 1604 B7R0.5 COC[C@@H](N)C(=O)O Amb10604051 [2,0,0,0,0,0|1,0,1]=4 1605 B7R0.5 COC[C@@H](N)C(=O)O Amb22744762 [2,0,0,0,0,0|1,0,1]=4 1606 B7R0.5 COC[C@H](N)C(=O)O Amb33801358 [2,0,0,0,0,0|1,0,1]=4 1607 B7R0.5 COC[C@H](N)C(=O)O Amb8515080 [2,0,0,0,0,0|1,0,1]=4 1608 B7R0.5 CSCC(N)C(=O)O Amb33804791 [2,0,0,0,0,0|1,0,1]=4 1609 B7R0.5 CSCC(N)C(=O)O Amb6280829 [2,0,0,0,0,0|1,0,1]=4 1610 B7R0.5 CSC[C@@H](N)C(=O)O Amb9813743 [2,0,0,0,0,0|1,0,1]=4 1611 B7R0.5 CSC[C@H](N)C(=O)O Amb6364886 [2,0,0,0,0,0|1,0,1]=4 1612 B7R0.5 C[C@@H](CCF)C(=O)O Amb33744644 [2,0,0,0,0,0|2,0,0]=4 1613 B7R0.5 C[C@@H](CCN)C(=O)O Amb10844043 [2,0,0,0,0,0|2,0,0]=4 1614 B7R0.5 C[C@H](CCF)C(=O)O Amb33738115 [2,0,0,0,0,0|2,0,0]=4 1615 B7R0.5 C[C@H](NC=O)C(=O)O Amb28323701 [2,0,0,0,0,0|2,0,0]=4 1616 B7R0.5 C[C@H](NCO)C(=O)O Amb24401217 [2,0,0,0,0,0|2,0,0]=4 1617 B7R0.5 C[Se]C[C@@H](N)C(=O)O Amb22745692 [2,0,0,0,0,0|1,0,1]=4 1618 B7R0.5 C[Se]C[C@H](N)C(=O)O Amb10601626 [2,0,0,0,0,0|1,0,1]=4 1619 B7R0.5 C\C=C\[C@@H](N)C(=O)O Amb27948524 [2,0,0,0,0,0|1,0,1]=4 1620 B7R0.5 N#CCC(N)C(=O)O Amb18641766 [2,0,0,0,0,0|1,0,1]=4 1621 B7R0.5 N#CC[C@@H](N)C(=O)O Amb26397494 [2,0,0,0,0,0|1,0,1]=4 1622 B7R0.5 N#CC[C@H](N)C(=O)O Amb16183916 [2,0,0,0,0,0|1,0,1]=4 1623 B7R0.5 NC(=O)C(N)CCF Amb24391278 [2,0,0,0,0,0|2,0,0]=4 1624 B7R0.5 NC(=O)C(N)CCO Amb24481392 [2,0,0,0,0,0|1,0,0]=3 1625 B7R0.5 NC(=O)C(N)CNO Amb27396201 [2,0,0,0,0,0|2,0,0]=4 1626 B7R0.5 NC(CCBr)C(=O)O Amb21858417 [2,0,0,0,0,0|1,0,0]=3 1627 B7R0.5 NC(CCCl)C(=O)O Amb28241385 [2,0,0,0,0,0|1,0,0]=3 1628 B7R0.5 NC(CCF)C(=O)O Amb25889337 [2,0,0,0,0,0|1,0,0]=3 1629 B7R0.5 NC(CCF)C(=O)O Amb28934889 [2,0,0,0,0,0|1,0,0]=3 1630 B7R0.5 NC(CCO)C(=O)O Amb8514287 [2,0,0,0,0,0|0,0,0]=2 1631 B7R0.5 NC(CCS)C(=O)O Amb19267093 [2,0,0,0,0,0|0,1,0]=3 1632 B7R0.5 NC(CCS)C(=O)O Amb3499433 [2,0,0,0,0,0|0,1,0]=3 1633 B7R0.5 NC(CCS)[PH](=O)O Amb27409002 [2,0,0,0,0,0|1,1,0]=4 1634 B7R0.5 NC(CNO)C(=O)O Amb4092732 [2,0,0,0,0,0|1,0,0]=3 1635 B7R0.5 NC(CO[SiH3])C(=O)O Amb27461306 [2,0,0,0,0,0|1,1,0]=4 1636 B7R0.5 NC(\C=C\F)C(=O)O Amb27666430 [2,0,0,0,0,0|1,0,1]=4 1637 B7R0.5 NCCC(Br)C(=O)O Amb28128317 [2,0,0,0,0,0|2,0,0]=4 1638 B7R0.5 NCCC(F)C(=O)O Amb10838221 [2,0,0,0,0,0|2,0,0]=4 1639 B7R0.5 NCCC(F)C(=O)O Amb22229524 [2,0,0,0,0,0|2,0,0]=4 1640 B7R0.5 NCCC(N)C(=O)O Amb2697841 [2,0,0,0,0,0|1,0,0]=3 1641 B7R0.5 NCCC(N)C(=O)O Amb8514694 [2,0,0,0,0,0|1,0,0]=3 1642 B7R0.5 NCCC(O)C(=O)O Amb16232090 [2,0,0,0,0,0|2,0,0]=4 1643 B7R0.5 NCC[C@@H](F)C(=O)O Amb24055858 [2,0,0,0,0,0|2,0,0]=4 1644 B7R0.5 NCC[C@@H](N)C(=O)O Amb16183852 [2,0,0,0,0,0|1,0,0]=3 1645 B7R0.5 NCC[C@@H](N)C(=O)O Amb23438994 [2,0,0,0,0,0|1,0,0]=3 1646 B7R0.5 NCC[C@@H](N)C(=O)O Amb8390364 [2,0,0,0,0,0|1,0,0]=3 1647 B7R0.5 NCC[C@@H](N)C(N)=O Amb31031077 [2,0,0,0,0,0|2,0,0]=4 1648 B7R0.5 NCC[C@@H](O)C(=O)O Amb22748225 [2,0,0,0,0,0|2,0,0]=4 1649 B7R0.5 NCC[C@H](F)C(=O)O Amb24055857 [2,0,0,0,0,0|2,0,0]=4 1650 B7R0.5 NCC[C@H](N)C(=O)O Amb16183862 [2,0,0,0,0,0|1,0,0]=3 1651 B7R0.5 NCC[C@H](N)C(=O)O Amb2720151 [2,0,0,0,0,0|1,0,0]=3 1652 B7R0.5 NCC[C@H](N)C(=O)O Amb33812683 [2,0,0,0,0,0|1,0,0]=3 1653 B7R0.5 NCC[C@H](N)C(=O)O Amb9825390 [2,0,0,0,0,0|1,0,0]=3 1654 B7R0.5 NCC[C@H](O)C(=O)O Amb8386099 [2,0,0,0,0,0|2,0,0]=4 1655 B7R0.5 NOCC(N)C(=O)O Amb24184086 [2,0,0,0,0,0|2,0,0]=4 1656 B7R0.5 N[C@@H](CCBr)C(=O)O Amb8515827 [2,0,0,0,0,0|1,0,0]=3 1657 B7R0.5 N[C@@H](CCF)C(=O)O Amb26458628 [2,0,0,0,0,0|1,0,0]=3 1658 B7R0.5 N[C@@H](CCO)C(=O)O Amb20242705 [2,0,0,0,0,0|0,0,0]=2 1659 B7R0.5 N[C@@H](CCO)C(=O)O Amb6600040 [2,0,0,0,0,0|0,0,0]=2 1660 B7R0.5 N[C@@H](CCS)C(=O)O Amb6600039 [2,0,0,0,0,0|0,1,0]=3 1661 B7R0.5 N[C@@H](OCS)C(=O)O Amb27591629 [2,0,0,0,0,0|1,1,0]=4 1662 B7R0.5 N[C@@H](\C=C/F)C(=O)O Amb27447269 [2,0,0,0,0,0|1,0,1]=4 1663 B7R0.5 N[C@H](CC=O)C(=O)O Amb27839576 [2,0,0,0,0,0|0,0,0]=2 1664 B7R0.5 N[C@H](CCF)C(=O)O Amb27206623 [2,0,0,0,0,0|1,0,0]=3 1665 B7R0.5 N[C@H](CCI)C(=O)O Amb27600675 [2,0,0,0,0,0|1,0,0]=3 1666 B7R0.5 N[C@H](CCO)C(=O)O Amb4166299 [2,0,0,0,0,0|0,0,0]=2 1667 B7R0.5 N[C@H](C[SH]=O)C(=O)O Amb27596028 [2,0,0,0,0,0|1,0,0]=3 1668 B7R0.5 O=C(O)C(=O)CCO Amb25677024 [2,0,0,0,0,0|1,0,1]=4 1669 B7R0.5 O=C(O)C(Br)CCBr Amb19889695 [2,0,0,0,0,0|2,0,0]=4 1670 B7R0.5 O=C(O)C(Br)CCO Amb28325416 [2,0,0,0,0,0|1,0,0]=3 1671 B7R0.5 O=C(O)C(Cl)CCCl Amb18126030 [2,0,0,0,0,0|2,0,0]=4 1672 B7R0.5 O=C(O)C(O)CCCl Amb27644540 [2,0,0,0,0,0|2,0,0]=4 1673 B7R0.5 O=C(O)C(O)CCF Amb28071189 [2,0,0,0,0,0|2,0,0]=4 1674 B7R0.5 O=C(O)C(O)CCO Amb24689942 [2,0,0,0,0,0|1,0,0]=3 1675 B7R0.5 O=C(O)C(O)CNO Amb27405525 [2,0,0,0,0,0|2,0,0]=4 1676 B7R0.5 O=C(O)C(S)CCS Amb27634893 [2,0,0,0,0,0|1,1,0]=4 1677 B7R0.5 O=C(O)[C@@H](O)CCBr Amb27238673 [2,0,0,0,0,0|2,0,0]=4 1678 B7R0.5 O=CCC(=O)C(=O)O Amb26326260 [2,0,0,0,0,0|1,0,1]=4 1679 B7R0.6 C=C(Br)CCC(=O)O Amb18648212 [2,0,0,0,0,0|1,0,1]=4 1680 B7R0.6 C=C(C)CCC(=O)O Amb18641793 [2,0,0,0,0,0|1,0,1]=4 1681 B7R0.6 C=C(Cl)CCC(=O)O Amb18642971 [2,0,0,0,0,0|1,0,1]=4 1682 B7R0.6 C=C(N)CCC(=O)O Amb27629351 [2,0,0,0,0,0|0,0,1]=3 1683 B7R0.6 CC(=O)CCC(=O)O Amb534169 [2,0,0,0,0,0|1,0,1]=4 1684 B7R0.6 CC(=O)CCC(C)O Amb25829594 [2,0,0,0,0,0|2,0,0]=4 1685 B7R0.6 CC(=O)CCC(N)=O Amb17142854 [2,0,0,0,0,0|1,0,1]=4 1686 B7R0.6 CC(=O)CC[C@@H](C)O Amb22351150 [2,0,0,0,0,0|2,0,0]=4 1687 B7R0.6 CC(Br)CCC(=O)O Amb18124528 [2,0,0,0,0,0|1,0,1]=4 1688 B7R0.6 CC(C)CCC(=O)O Amb1153016 [2,0,0,0,0,0|1,0,1]=4 1689 B7R0.6 CC(I)CCC(=O)O Amb25938596 [2,0,0,0,0,0|1,0,1]=4 1690 B7R0.6 CC(N)CCC(=O)O Amb17593212 [2,0,0,0,0,0|0,0,1]=3 1691 B7R0.6 CC(N)CCC(=O)O Amb19515603 [2,0,0,0,0,0|0,0,1]=3 1692 B7R0.6 CC(N)CCS(=O)O Amb27839082 [2,0,0,0,0,0|1,0,1]=4 1693 B7R0.6 CC(N)CC[PH](=O)O Amb27221659 [2,0,0,0,0,0|1,0,1]=4 1694 B7R0.6 CC(N)SCC(=O)O Amb27401691 [2,0,0,0,0,0|1,0,1]=4 1695 B7R0.6 CC(O)CCC(=O)O Amb18294804 [2,0,0,0,0,0|1,0,0]=3 1696 B7R0.6 CC(O)CCC(=O)[O-] Amb32729478 [2,0,0,0,0,0|1,0,1]=4 1697 B7R0.6 CC(S)CCC(=O)O Amb8471198 [2,0,0,0,0,0|1,0,1]=4 1698 B7R0.6 CN(N)CCC(=O)O Amb2698078 [2,0,0,0,0,0|1,0,1]=4 1699 B7R0.6 CS(=O)CCC(=O)O Amb18523762 [2,0,0,0,0,0|2,0,0]=4 1700 B7R0.6 C[C@@H](N)CCC(=O)O Amb25960628 [2,0,0,0,0,0|0,0,1]=3 1701 B7R0.6 C[C@@H](N)CCC(=O)O Amb35753110 [2,0,0,0,0,0|0,0,1]=3 1702 B7R0.6 C[C@H](N)CCC(=O)O Amb25047328 [2,0,0,0,0,0|0,0,1]=3 1703 B7R0.6 C[C@H](N)CCC(=O)O Amb35752545 [2,0,0,0,0,0|0,0,1]=3 1704 B7R0.6 C[C@H](O)CCC(=O)O Amb27656596 [2,0,0,0,0,0|1,0,0]=3 1705 B7R0.6 C[C@H](S)CCC(=O)O Amb27170326 [2,0,0,0,0,0|1,0,1]=4 1706 B7R0.6 NC(=O)CCC(=O)Cl Amb28240580 [2,0,0,0,0,0|1,0,1]=4 1707 B7R0.6 NC(=O)CCC(=O)O Amb2967294 [2,0,0,0,0,0|0,0,1]=3 1708 B7R0.6 NC(=O)CCC(N)=O Amb1353209 [2,0,0,0,0,0|1,0,1]=4 1709 B7R0.6 NC(=O)CCC(O)O Amb27254204 [2,0,0,0,0,0|2,0,0]=4 1710 B7R0.6 NC(=O)NCC(=O)O Amb6366364 [2,0,0,0,0,0|1,0,1]=4 1711 B7R0.6 NC(=S)CCC(=O)O Amb18102382 [2,0,0,0,0,0|0,1,1]=4 1712 B7R0.6 O=C(O)CCB(O)O Amb24640288 [2,0,0,0,0,0|2,0,0]=4 1713 B7R0.6 O=C(O)CCC(=O)O Amb22168124 [2,0,0,0,0,0|1,0,1]=4 1714 B7R0.6 O=C(O)CCC(=O)O Amb2792874 [2,0,0,0,0,0|1,0,1]=4 1715 B7R0.6 O=C(O)CCC(Cl)Cl Amb25059214 [2,0,0,0,0,0|2,0,0]=4 1716 B7R0.6 O=C(O)CCC(F)F Amb20623135 [2,0,0,0,0,0|2,0,0]=4 1717 B7R0.6 O=C(O)CCP(O)O Amb27424479 [2,0,0,0,0,0|2,0,0]=4 1718 B7R0.6 O=C(O)CCS(=O)O Amb27144832 [2,0,0,0,0,0|2,0,0]=4 1719 B7R0.6 O=C(O)CC[N+](=O)[O-] Amb10843224 [2,0,0,0,0,0|2,0,0]=4 1720 B7R0.6 O=C(O)CC[SH](=O)=O Amb27410689 [2,0,0,0,0,0|2,0,0]=4 1721 B9R0.6 C=CCC(C)C(C)C(=O)O Amb18643938 [1,1,0,0,0,0|2,0,0]=4 1722 B9R0.6 C=CCC(C)C(N)C(=O)O Amb26381874 [1,1,0,0,0,0|1,0,0]=3 1723 B9R0.6 C=CCC(C)C(N)C(N)=O Amb33066012 [1,1,0,0,0,0|2,0,0]=4 1724 B9R0.6 C=CCC(C)[C@@H](N)C(=O)O Amb33037030 [1,1,0,0,0,0|1,0,0]=3 1725 B9R0.6 C=CCC(C)[C@H](N)C(=O)O Amb32865926 [1,1,0,0,0,0|1,0,0]=3 1726 B9R0.6 CC(=O)C(C)C(C)CC=O Amb27827459 [1,1,0,0,0,0|2,0,0]=4 1727 B9R0.6 CC(=O)C(O)C(O)CC=O Amb28050017 [1,1,0,0,0,0|2,0,0]=4 1728 B9R0.6 CC(CC#N)C(N)C(=O)O Amb33066130 [1,1,0,0,0,0|1,0,1]=4 1729 B9R0.6 CC(CC#N)[C@@H](N)C(=O)O Amb33308829 [1,1,0,0,0,0|1,0,1]=4 1730 B9R0.6 CC(CC#N)[C@H](N)C(=O)O Amb32865927 [1,1,0,0,0,0|1,0,1]=4 1731 B9R0.6 CC(CC=O)C(C)C(=O)O Amb18644133 [1,1,0,0,0,0|1,0,0]=3 1732 B9R0.6 CC(OC=O)C(N)C(=O)O Amb27456598 [1,1,0,0,0,0|1,0,0]=3 1733 B9R0.6 CCCC(C)C(N)C(=O)O Amb20622789 [1,1,0,0,0,0|1,0,1]=4 1734 B9R0.6 CCCC(C)[C@@H](N)C(=O)O Amb26624121 [1,1,0,0,0,0|1,0,1]=4 1735 B9R0.6 CCCC(C)[C@H](N)C(=O)O Amb26512364 [1,1,0,0,0,0|1,0,1]=4 1736 B9R0.6 CCCC(F)C(N)C(=O)O Amb10839857 [1,1,0,0,0,0|1,0,1]=4 1737 B9R0.6 CCCC(O)C(N)C(=O)O Amb18124815 [1,1,0,0,0,0|1,0,1]=4 1738 B9R0.6 CCCC(O)[C@H](N)C(=O)O Amb26635079 [1,1,0,0,0,0|1,0,1]=4 1739 B9R0.6 CCCC(S)C(N)C(=O)O Amb27860699 [1,1,0,0,0,0|1,0,1]=4 1740 B9R0.6 CCCC(S)[C@@H](N)C(=O)O Amb27759942 [1,1,0,0,0,0|1,0,1]=4 1741 B9R0.6 CCC[C@@H](O)[C@@H](N)C(=O)O Amb25367288 [1,1,0,0,0,0|1,0,1]=4 1742 B9R0.6 CCC[C@@H](O)[C@H](N)C(=O)O Amb24715802 [1,1,0,0,0,0|1,0,1]=4 1743 B9R0.6 CCC[C@H](C)[C@@H](N)C(=O)O Amb27801051 [1,1,0,0,0,0|1,0,1]=4 1744 B9R0.6 CCC[C@H](C)[C@H](N)C(=O)O Amb29838293 [1,1,0,0,0,0|1,0,1]=4 1745 B9R0.6 CCC[C@H](O)[C@@H](N)C(=O)O Amb26415873 [1,1,0,0,0,0|1,0,1]=4 1746 B9R0.6 CCC[C@H](O)[C@H](N)C(=O)O Amb25113866 [1,1,0,0,0,0|1,0,1]=4 1747 B9R0.6 COCC(C)C(N)C(=O)O Amb24116980 [1,1,0,0,0,0|2,0,0]=4 1748 B9R0.6 COCC(C)[C@@H](N)C(=O)O Amb26467489 [1,1,0,0,0,0|2,0,0]=4 1749 B9R0.6 COCC(C)[C@H](N)C(=O)O Amb25729786 [1,1,0,0,0,0|2,0,0]=4 1750 B9R0.6 COCC(O)C(N)C(=O)O Amb25147551 [1,1,0,0,0,0|2,0,0]=4 1751 B9R0.6 CSCC(C)C(N)C(=O)O Amb27161222 [1,1,0,0,0,0|2,0,0]=4 1752 B9R0.6 CSCC(C)[C@H](N)C(=O)O Amb28137881 [1,1,0,0,0,0|2,0,0]=4 1753 B9R0.6 CSCC(O)C(N)C(=O)O Amb18646340 [1,1,0,0,0,0|2,0,0]=4 1754 B9R0.6 CSC[C@@H](C)C(N)C(=O)O Amb27629392 [1,1,0,0,0,0|2,0,0]=4 1755 B9R0.6 CSC[C@H](O)[C@@H](N)C(=O)O Amb28320767 [1,1,0,0,0,0|2,0,0]=4 1756 B9R0.6 C[C@@H](CCCl)[C@H](N)C(=O)O Amb28203940 [1,1,0,0,0,0|1,0,1]=4 1757 B9R0.6 C[C@@H](OC=O)[C@H](N)C(=O)O Amb27972267 [1,1,0,0,0,0|1,0,0]=3 1758 B9R0.6 C[C@H](C(=O)O)[C@@H](C)OC=O Amb27391147 [1,1,0,0,0,0|2,0,0]=4 1759 B9R0.6 C[C@H](OC=O)[C@H](C)C(=O)O Amb27620887 [1,1,0,0,0,0|2,0,0]=4 1760 B9R0.6 NC(C(=O)O)C(O)CCF Amb33196437 [1,1,0,0,0,0|1,0,1]=4 1761 B9R0.6 NCCC(F)C(N)C(=O)O Amb28204060 [1,1,0,0,0,0|1,0,1]=4 1762 B9R0.6 NCCC(N)C(N)C(=O)O Amb27759858 [1,1,0,0,0,0|1,0,1]=4 1763 B9R0.6 NCC[C@@H](F)[C@H](N)C(=O)O Amb27818085 [1,1,0,0,0,0|1,0,1]=4 1764 B9R0.6 NCC[C@@H](O)[C@H](N)C(=O)O Amb27800764 [1,1,0,0,0,0|1,0,1]=4 1765 B9R0.6 NCC[C@H](O)[C@H](N)C(=O)O Amb27263062 [1,1,0,0,0,0|1,0,1]=4 1766 B9R0.8 C#CCCC(N)C(=O)OC Amb28135954 [1,1,0,0,0,0|1,0,1]=4 1767 B9R0.8 C#CCC[C@H](N)C(=O)OC Amb27640594 [1,1,0,0,0,0|1,0,1]=4 1768 B9R0.8 C=C(CCC=O)C(=O)OC Amb28368319 [1,1,0,0,0,0|1,0,1]=4 1769 B9R0.8 C=CCCC(N)C(=O)OC Amb27866671 [1,1,0,0,0,0|1,0,0]=3 1770 B9R0.8 C=CCCC(N)C(=O)OC Amb32794772 [1,1,0,0,0,0|1,0,0]=3 1771 B9R0.8 C=CCCC(O)C(=O)OC Amb27669786 [1,1,0,0,0,0|2,0,0]=4 1772 B9R0.8 C=CCC[C@@H](N)C(=O)OC Amb27389875 [1,1,0,0,0,0|1,0,0]=3 1773 B9R0.8 C=CCC[C@H](N)C(=O)OC Amb28134398 [1,1,0,0,0,0|1,0,0]=3 1774 B9R0.8 CCCCC(N)C(=O)NO Amb22059372 [1,1,0,0,0,0|1,0,1]=4 1775 B9R0.8 CCCCC(N)C(=O)OC Amb9330294 [1,1,0,0,0,0|1,0,1]=4 1776 B9R0.8 CCCCC(N)C(=O)OC Amb9825492 [1,1,0,0,0,0|1,0,1]=4 1777 B9R0.8 CCCC[C@@H](N)C(=O)OC Amb16183949 [1,1,0,0,0,0|1,0,1]=4 1778 B9R0.8 CCCC[C@@H](N)C(=O)OC Amb22745342 [1,1,0,0,0,0|1,0,1]=4 1779 B9R0.8 CCCC[C@H](N)C(=O)OC Amb22169631 [1,1,0,0,0,0|1,0,1]=4 1780 B9R0.8 CCCC[C@H](N)C(=O)OC Amb26391986 [1,1,0,0,0,0|1,0,1]=4 1781 B9R0.8 CNCCC(N)C(=O)OC Amb32993440 [1,1,0,0,0,0|2,0,0]=4 1782 B9R0.8 COC(=O)C(C)CNC=O Amb27636245 [1,1,0,0,0,0|2,0,0]=4 1783 B9R0.8 COC(=O)C(N)CCC#N Amb28076162 [1,1,0,0,0,0|1,0,1]=4 1784 B9R0.8 COC(=O)C(N)CCCF Amb26857313 [1,1,0,0,0,0|1,0,1]=4 1785 B9R0.8 COC(=O)C(N)CCCN Amb9871379 [1,1,0,0,0,0|1,0,1]=4 1786 B9R0.8 COC(=O)C(N)CCCO Amb18644325 [1,1,0,0,0,0|0,0,1]=3 1787 B9R0.8 COC(=O)C(N)CCCS Amb27974600 [1,1,0,0,0,0|0,1,1]=4 1788 B9R0.8 COC(=O)C(N)CCSC Amb1152979 [1,1,0,0,0,0|2,0,0]=4 1789 B9R0.8 COC(=O)C(N)CCSC Amb2720119 [1,1,0,0,0,0|2,0,0]=4 1790 B9R0.8 COC(=O)C(N)CNC=O Amb28077501 [1,1,0,0,0,0|1,0,0]=3 1791 B9R0.8 COC(=O)C(N)C\C=C\Cl Amb33066166 [1,1,0,0,0,0|1,0,1]=4 1792 B9R0.8 COC(=O)[C@@H](N)CCCN Amb16236222 [1,1,0,0,0,0|1,0,1]=4 1793 B9R0.8 COC(=O)[C@@H](N)CCCO Amb27260220 [1,1,0,0,0,0|0,0,1]=3 1794 B9R0.8 COC(=O)[C@@H](N)CCON Amb27856127 [1,1,0,0,0,0|2,0,0]=4 1795 B9R0.8 COC(=O)[C@@H](N)CCSC Amb533934 [1,1,0,0,0,0|2,0,0]=4 1796 B9R0.8 COC(=O)[C@@H](N)CCSC Amb8390413 [1,1,0,0,0,0|2,0,0]=4 1797 B9R0.8 COC(=O)[C@H](N)CCSC Amb3939028 [1,1,0,0,0,0|2,0,0]=4 1798 B9R0.8 COC(=O)[C@H](N)CCSC Amb9826085 [1,1,0,0,0,0|2,0,0]=4 1799 B9R0.8 COC(=O)[C@H](O)CCCO Amb27766582 [1,1,0,0,0,0|1,0,1]=4 1800 B9R0.8 COCCC(N)C(=O)OC Amb24053179 [1,1,0,0,0,0|2,0,0]=4 1801 B9R0.8 COCCC(N)C(=O)OC Amb28555457 [1,1,0,0,0,0|2,0,0]=4 1802 B9R0.8 COCC[C@H](N)C(=O)OC Amb27880632 [1,1,0,0,0,0|2,0,0]=4 1803 B9R0.8 CSCCC(N)C(=O)NO Amb22349956 [1,1,0,0,0,0|2,0,0]=4 1804 B9R0.8 CSCC[C@@H](N)C(=O)NO Amb27592841 [1,1,0,0,0,0|2,0,0]=4 1805 B9R0.8 CSCC[C@H](N)C(=O)NO Amb26846759 [1,1,0,0,0,0|2,0,0]=4 1806 B9R0.8 CSCC[C@H](N)C(=O)O[Zn+] Amb20241025 [1,1,0,0,0,0|2,0,0]=4 1807 B9R0.8 C\C=C\CC(N)C(=O)OC Amb26348150 [1,1,0,0,0,0|1,0,1]=4 1808 B9R0.8 C\C=C\C[C@@H](N)C(=O)OC Amb27169570 [1,1,0,0,0,0|1,0,1]=4 1809 B9R0.8 O=C(CO)[C@H](O)CCCO Amb27427126 [1,1,0,0,0,0|1,0,1]=4 1810 B9R0.13 C=CCCC(CC)C(=O)O Amb28050061 [1,1,0,0,0,0|2,0,0]=4 1811 B9R0.13 C=CCCC(OC)C(=O)O Amb28388453 [1,1,0,0,0,0|2,0,0]=4 1812 B9R0.13 C=CCC[C@@H](CC)C(=O)O Amb27595843 [1,1,0,0,0,0|2,0,0]=4 1813 B9R0.13 C=CCOC(CN)C(=O)O Amb27656801 [1,1,0,0,0,0|2,0,0]=4 1814 B9R0.13 CCC(CCC=O)C(=O)O Amb27216961 [1,1,0,0,0,0|1,0,0]=3 1815 B9R0.13 CCCCC(CN)C(=O)O Amb26978768 [1,1,0,0,0,0|1,0,1]=4 1816 B9R0.13 CCCCC(NC)C(=O)O Amb24116642 [1,1,0,0,0,0|1,0,1]=4 1817 B9R0.13 CCCCC(NCl)C(=O)O Amb27863591 [1,1,0,0,0,0|1,0,1]=4 1818 B9R0.13 CCCCC(NN)C(=O)O Amb18644274 [1,1,0,0,0,0|1,0,1]=4 1819 B9R0.13 CCCCC(NO)C(=O)O Amb27619251 [1,1,0,0,0,0|1,0,1]=4 1820 B9R0.13 CCCC[C@@H](CN)C(=O)O Amb27812140 [1,1,0,0,0,0|1,0,1]=4 1821 B9R0.13 CCCC[C@@H](NC)C(=O)O Amb22799980 [1,1,0,0,0,0|1,0,1]=4 1822 B9R0.13 CCCC[C@@H](NO)C(=O)O Amb27162541 [1,1,0,0,0,0|1,0,1]=4 1823 B9R0.13 CCCC[C@H](NC)C(=O)O Amb25887554 [1,1,0,0,0,0|1,0,1]=4 1824 B9R0.13 CNC(CCCN)C(=O)O Amb18644280 [1,1,0,0,0,0|1,0,1]=4 1825 B9R0.13 CNC(CCSC)C(=O)O Amb18792506 [1,1,0,0,0,0|2,0,0]=4 1826 B9R0.13 CN[C@@H](CCSC)C(=O)O Amb26844419 [1,1,0,0,0,0|2,0,0]=4 1827 B9R0.13 CN[C@H](CCCN)C(=O)O Amb28060751 [1,1,0,0,0,0|1,0,1]=4 1828 B9R0.13 CN[C@H](CCSC)C(=O)O Amb27974159 [1,1,0,0,0,0|2,0,0]=4 1829 B9R0.13 COCCC(CN)C(=O)O Amb24697893 [1,1,0,0,0,0|2,0,0]=4 1830 B9R0.13 CSCCC(CN)C(=O)O Amb24618199 [1,1,0,0,0,0|2,0,0]=4 1831 B9R0.13 CSCCC(NCl)C(=O)O Amb27635192 [1,1,0,0,0,0|2,0,0]=4 1832 B9R0.13 CSCCC(NF)C(=O)O Amb27233599 [1,1,0,0,0,0|2,0,0]=4 1833 B9R0.13 CSCC[C@@H](CN)C(=O)O Amb28458297 [1,1,0,0,0,0|2,0,0]=4 1834 B9R0.13 NCC(SCCO)C(=O)O Amb27233935 [1,1,0,0,0,0|1,0,1]=4 1835 B9R0.13 NCCC[C@@H](NN)C(=O)O Amb27768758 [1,1,0,0,0,0|1,0,1]=4 1836 B9R0.42 C#C[C@@H](O)C[C@@H](N)C(=O)O Amb28321822 [1,1,0,0,0,0|1,0,1]=4 1837 B9R0.42 C=CC(C)C[C@H](C)C(=O)O Amb27788729 [1,1,0,0,0,0|2,0,0]=4 1838 B9R0.42 CC(C#N)CC(N)C(=O)O Amb25262927 [1,1,0,0,0,0|1,0,1]=4 1839 B9R0.42 CC(C#N)C[C@@H](N)C(=O)O Amb33127539 [1,1,0,0,0,0|1,0,1]=4 1840 B9R0.42 CC(C#N)C[C@H](N)C(=O)O Amb33036873 [1,1,0,0,0,0|1,0,1]=4 1841 B9R0.42 CC(CF)CC(N)C(=O)O Amb27838056 [1,1,0,0,0,0|1,0,1]=4 1842 B9R0.42 CC(CO)CC(C)C(=O)O Amb27838009 [1,1,0,0,0,0|1,0,1]=4 1843 B9R0.42 CC(CO)CC(N)C(=O)O Amb25147300 [1,1,0,0,0,0|0,0,1]=3 1844 B9R0.42 CC(CO)CC(N)C(N)=O Amb32787927 [1,1,0,0,0,0|1,0,1]=4 1845 B9R0.42 CC(CO)C[C@@H](N)C(=O)O Amb33036727 [1,1,0,0,0,0|0,0,1]=3 1846 B9R0.42 CC(CO)C[C@H](N)C(=O)O Amb32865934 [1,1,0,0,0,0|0,0,1]=3 1847 B9R0.42 CCC(C)CC(N)C(=O)O Amb18313985 [1,1,0,0,0,0|1,0,1]=4 1848 B9R0.42 CCC(C)CC(N)C(=O)O Amb20667726 [1,1,0,0,0,0|1,0,1]=4 1849 B9R0.42 CCC(C)C[C@@H](N)C(=O)O Amb25127143 [1,1,0,0,0,0|1,0,1]=4 1850 B9R0.42 CCC(C)C[C@H](N)C(=O)O Amb27471067 [1,1,0,0,0,0|1,0,1]=4 1851 B9R0.42 CCC(N)CC(N)C(=O)O Amb27205091 [1,1,0,0,0,0|1,0,1]=4 1852 B9R0.42 CCC(O)CC(N)C(=O)O Amb24117068 [1,1,0,0,0,0|1,0,1]=4 1853 B9R0.42 CCC(O)C[C@@H](N)C(=O)O Amb33065603 [1,1,0,0,0,0|1,0,1]=4 1854 B9R0.42 CCC(O)C[C@H](N)C(=O)O Amb24759913 [1,1,0,0,0,0|1,0,1]=4 1855 B9R0.42 CC[C@H](C)CC(N)C(=O)O Amb28364291 [1,1,0,0,0,0|1,0,1]=4 1856 B9R0.42 CC[C@H](C)C[C@H](N)C(=O)O Amb25662528 [1,1,0,0,0,0|1,0,1]=4 1857 B9R0.42 CC[C@H](C)C[C@H](N)C(=O)O Amb33620552 [1,1,0,0,0,0|1,0,1]=4 1858 B9R0.42 COC(C)CC(N)C(=O)O Amb25147752 [1,1,0,0,0,0|2,0,0]=4 1859 B9R0.42 COC(C)C[C@@H](N)C(=O)O Amb24412403 [1,1,0,0,0,0|2,0,0]=4 1860 B9R0.42 COC(C)C[C@H](N)C(=O)O Amb27801695 [1,1,0,0,0,0|2,0,0]=4 1861 B9R0.42 CSC(C)C[C@H](N)C(=O)O Amb28208334 [1,1,0,0,0,0|2,0,0]=4 1862 B9R0.42 CS[C@@H](C)C[C@@H](N)C(=O)O Amb27755570 [1,1,0,0,0,0|2,0,0]=4 1863 B9R0.42 C[C@@H](CO)C[C@@H](N)C(=O)O Amb27398331 [1,1,0,0,0,0|0,0,1]=3 1864 B9R0.42 C[C@H](CO)C[C@H](N)C(=O)O Amb27625117 [1,1,0,0,0,0|0,0,1]=3 1865 B9R0.42 C\C(=C/Cl)CC(N)C(=O)O Amb25934493 [1,1,0,0,0,0|1,0,1]=4 1866 B9R0.42 C\C(=C/Cl)C[C@@H](N)C(=O)O Amb27168937 [1,1,0,0,0,0|1,0,1]=4 1867 B9R0.42 C\C(=C/Cl)C[C@H](N)C(=O)O Amb26888703 [1,1,0,0,0,0|1,0,1]=4 1868 B9R0.42 C\C=C(/C)C[C@H](N)C(=O)O Amb27827659 [1,1,0,0,0,0|1,0,1]=4 1869 B9R0.42 NC(=O)C(N)CC(O)CO Amb33066193 [1,1,0,0,0,0|1,0,1]=4 1870 B9R0.42 NC(CC(=O)CO)C(=O)O Amb18644310 [1,1,0,0,0,0|0,0,2]=4 1871 B9R0.42 NC(CC(=O)NO)C(=O)O Amb22349932 [1,1,0,0,0,0|1,0,1]=4 1872 B9R0.42 NC(CC(F)CO)C(=O)O Amb27632459 [1,1,0,0,0,0|0,0,1]=3 1873 B9R0.42 NC(CC(O)C=O)C(=O)O Amb28126784 [1,1,0,0,0,0|0,0,0]=2 1874 B9R0.42 NC(CC(O)CF)C(=O)O Amb33065776 [1,1,0,0,0,0|1,0,1]=4 1875 B9R0.42 NC(CC(O)CO)C(=O)O Amb18644388 [1,1,0,0,0,0|0,0,1]=3 1876 B9R0.42 NC(CC(O)CO)C(=O)O Amb24117285 [1,1,0,0,0,0|0,0,1]=3 1877 B9R0.42 NC(C\C(Cl)=C\Cl)C(=O)O Amb27232854 [1,1,0,0,0,0|1,0,1]=4 1878 B9R0.42 NC(\C=C(\P)C=O)C(=O)O Amb25361040 [1,1,0,0,0,0|0,0,2]=4 1879 B9R0.42 NCC(F)C[C@H](N)C(=O)O Amb28126719 [1,1,0,0,0,0|1,0,1]=4 1880 B9R0.42 NCC(O)CC(N)C(=O)O Amb30988061 [1,1,0,0,0,0|1,0,1]=4 1881 B9R0.42 N[C@@H](CC(=O)CO)C(=O)O Amb28050099 [1,1,0,0,0,0|0,0,2]=4 1882 B9R0.42 N[C@@H](CC(=O)NO)C(=O)O Amb28320876 [1,1,0,0,0,0|1,0,1]=4 1883 B9R0.42 N[C@@H](CC(O)CCl)C(=O)O Amb27837835 [1,1,0,0,0,0|1,0,1]=4 1884 B9R0.42 N[C@@H](CC(O)CF)C(=O)O Amb33036578 [1,1,0,0,0,0|1,0,1]=4 1885 B9R0.42 N[C@@H](CC(O)CO)C(=O)O Amb25870815 [1,1,0,0,0,0|0,0,1]=3 1886 B9R0.42 N[C@@H](CN(O)N=O)C(=O)O Amb17607759 [1,1,0,0,0,0|2,0,0]=4 1887 B9R0.42 N[C@H](CC(O)CF)C(=O)O Amb32796094 [1,1,0,0,0,0|1,0,1]=4 1888 B9R0.42 N[C@H](CC(O)CO)C(=O)O Amb33036156 [1,1,0,0,0,0|0,0,1]=3 1889 B9R0.42 N[C@H](CN(O)N=O)C(=O)O Amb27976802 [1,1,0,0,0,0|2,0,0]=4 1890 B9R0.42 N\C=C(/N)CC(N)C(=O)O Amb28250396 [1,1,0,0,0,0|1,0,1]=4 1891 B9R0.42 O=C(O)C(O)C[C@H](O)CO Amb27984868 [1,1,0,0,0,0|1,0,1]=4 1892 B9R0.47 C#CCCCC(N)C(=O)O Amb27947457 [1,1,0,0,0,0|1,0,1]=4 1893 B9R0.47 C#CCCCC(N)C(=O)O Amb33483976 [1,1,0,0,0,0|1,0,1]=4 1894 B9R0.47 C#CCCC[C@@H](N)C(=O)O Amb24077358 [1,1,0,0,0,0|1,0,1]=4 1895 B9R0.47 C#CCCC[C@H](N)C(=O)O Amb24088878 [1,1,0,0,0,0|1,0,1]=4 1896 B9R0.47 C#CCOC[C@H](N)C(=O)O Amb27644036 [1,1,0,0,0,0|1,0,1]=4 1897 B9R0.47 C#CCSCC(N)C(=O)O Amb6275547 [1,1,0,0,0,0|1,0,1]=4 1898 B9R0.47 C#CCSC[C@H](N)C(=O)O Amb17935864 [1,1,0,0,0,0|1,0,1]=4 1899 B9R0.47 C#C\C=C\CC(N)C(=O)O Amb25147384 [1,1,0,0,0,0|1,0,1]=4 1900 B9R0.47 C=CCCCC(N)C(=O)O Amb22002149 [1,1,0,0,0,0|1,0,0]=3 1901 B9R0.47 C=CCCCC(N)C(=O)O Amb32752542 [1,1,0,0,0,0|1,0,0]=3 1902 B9R0.47 C=CCCCC(N)C(N)=O Amb25988690 [1,1,0,0,0,0|2,0,0]=4 1903 B9R0.47 C=CCCC[C@@H](N)C(=O)O Amb22831130 [1,1,0,0,0,0|1,0,0]=3 1904 B9R0.47 C=CCCC[C@@H](N)C(=O)O Amb32687472 [1,1,0,0,0,0|1,0,0]=3 1905 B9R0.47 C=CCCC[C@H](N)C(=O)O Amb2699129 [1,1,0,0,0,0|1,0,0]=3 1906 B9R0.47 C=CCCOC(C)C(=O)O Amb9208711 [1,1,0,0,0,0|2,0,0]=4 1907 B9R0.47 C=CCCO[C@@H](C)C(=O)O Amb27254188 [1,1,0,0,0,0|2,0,0]=4 1908 B9R0.47 C=CCCO[C@H](C)C(=O)O Amb27976475 [1,1,0,0,0,0|2,0,0]=4 1909 B9R0.47 C=CCNCC(N)C(=O)O Amb27945606 [1,1,0,0,0,0|1,0,0]=3 1910 B9R0.47 C=CCOCC(N)C(=O)O Amb28048879 [1,1,0,0,0,0|1,0,0]=3 1911 B9R0.47 C=CCOCC(N)C(N)=O Amb26499253 [1,1,0,0,0,0|2,0,0]=4 1912 B9R0.47 C=CCOC[C@@H](N)C(=O)O Amb31030961 [1,1,0,0,0,0|1,0,0]=3 1913 B9R0.47 C=CCOC[C@@H](N)C(=O)O Amb32941137 [1,1,0,0,0,0|1,0,0]=3 1914 B9R0.47 C=CCOC[C@H](N)C(=O)O Amb24713287 [1,1,0,0,0,0|1,0,0]=3 1915 B9R0.47 C=CCSCC(C)C(=O)O Amb27813038 [1,1,0,0,0,0|2,0,0]=4 1916 B9R0.47 C=CCSCC(Cl)C(=O)O Amb27635176 [1,1,0,0,0,0|2,0,0]=4 1917 B9R0.47 C=CCSCC(N)C(=O)O Amb6270069 [1,1,0,0,0,0|1,0,0]=3 1918 B9R0.47 C=CCSCC(O)C(=O)O Amb27639084 [1,1,0,0,0,0|2,0,0]=4 1919 B9R0.47 C=CCSC[C@@H](C)C(=O)O Amb27955284 [1,1,0,0,0,0|2,0,0]=4 1920 B9R0.47 C=CCSC[C@@H](N)C(=O)O Amb10843878 [1,1,0,0,0,0|1,0,0]=3 1921 B9R0.47 C=CCSC[C@H](N)C(=O)O Amb22231426 [1,1,0,0,0,0|1,0,0]=3 1922 B9R0.47 C=CCSC[C@H](N)C(N)=O Amb28410940 [1,1,0,0,0,0|2,0,0]=4 1923 B9R0.47 C=CSCCC(N)C(=O)O Amb26658187 [1,1,0,0,0,0|1,0,0]=3 1924 B9R0.47 C=C\C=C\CC(N)C(=O)O Amb18643715 [1,1,0,0,0,0|1,0,1]=4 1925 B9R0.47 CC#CCCC(N)C(=O)O Amb28285646 [1,1,0,0,0,0|1,0,1]=4 1926 B9R0.47 CC#CCC[C@@H](N)C(=O)O Amb25835847 [1,1,0,0,0,0|1,0,1]=4 1927 B9R0.47 CC#CCC[C@H](N)C(=O)O Amb28368944 [1,1,0,0,0,0|1,0,1]=4 1928 B9R0.47 CC(CCCCO)C(=O)O Amb28040862 [1,1,0,0,0,0|1,0,1]=4 1929 B9R0.47 CC(CCN=C=O)C(=O)O Amb33471413 [1,1,0,0,0,0|1,0,1]=4 1930 B9R0.47 CC(CCNC=O)C(=O)O Amb27474434 [1,1,0,0,0,0|1,0,0]=3 1931 B9R0.47 CCCCCC(N)C(=O)O Amb4134810 [1,1,0,0,0,0|1,0,1]=4 1932 B9R0.47 CCCCC[C@@H](N)C(=O)O Amb22745982 [1,1,0,0,0,0|1,0,1]=4 1933 B9R0.47 CCCCC[C@H](N)C(=O)O Amb17943098 [1,1,0,0,0,0|1,0,1]=4 1934 B9R0.47 CCCCSC(N)C(=O)O Amb27760526 [1,1,0,0,0,0|1,0,1]=4 1935 B9R0.47 CCCOCC(N)C(=O)O Amb24621740 [1,1,0,0,0,0|1,0,1]=4 1936 B9R0.47 CCCOC[C@@H](N)C(=O)O Amb27480715 [1,1,0,0,0,0|1,0,1]=4 1937 B9R0.47 CCCOC[C@H](N)C(=O)O Amb27223143 [1,1,0,0,0,0|1,0,1]=4 1938 B9R0.47 CCCSCC(N)C(=O)O Amb6265881 [1,1,0,0,0,0|1,0,1]=4 1939 B9R0.47 CCCSCC(N)C(=O)O Amb9176295 [1,1,0,0,0,0|1,0,1]=4 1940 B9R0.47 CCCSC[C@H](N)C(=O)O Amb27471340 [1,1,0,0,0,0|1,0,1]=4 1941 B9R0.47 CCNCCC(N)C(=O)O Amb932772 [1,1,0,0,0,0|1,0,1]=4 1942 B9R0.47 CCNCC[C@@H](N)C(=O)O Amb28520031 [1,1,0,0,0,0|1,0,1]=4 1943 B9R0.47 CCOCCC(N)C(=O)O Amb32671298 [1,1,0,0,0,0|1,0,1]=4 1944 B9R0.47 CCOCCC(N)C(=O)O Amb9316664 [1,1,0,0,0,0|1,0,1]=4 1945 B9R0.47 CCOCC[C@@H](N)C(=O)O Amb28187742 [1,1,0,0,0,0|1,0,1]=4 1946 B9R0.47 CCOCC[C@H](N)C(=O)O Amb26612670 [1,1,0,0,0,0|1,0,1]=4 1947 B9R0.47 CCSCCC(N)C(=O)O Amb2137050 [1,1,0,0,0,0|1,0,1]=4 1948 B9R0.47 CCSCC[C@@H](N)C(=O)O Amb17613843 [1,1,0,0,0,0|1,0,1]=4 1949 B9R0.47 CCSCC[C@H](N)C(=O)O Amb17613844 [1,1,0,0,0,0|1,0,1]=4 1950 B9R0.47 CC\C=C\CC(N)C(=O)O Amb25255710 [1,1,0,0,0,0|1,0,1]=4 1951 B9R0.47 CC\C=C\CC(N)C(=O)O Amb30666656 [1,1,0,0,0,0|1,0,1]=4 1952 B9R0.47 CNCCCC(N)C(=O)O Amb18644279 [1,1,0,0,0,0|1,0,1]=4 1953 B9R0.47 CNOCC[C@H](N)C(=O)O Amb27405026 [1,1,0,0,0,0|2,0,0]=4 1954 B9R0.47 COCCCC(C)C(=O)O Amb26653888 [1,1,0,0,0,0|1,0,1]=4 1955 B9R0.47 COCCCC(N)C(=O)O Amb22058809 [1,1,0,0,0,0|0,0,1]=3 1956 B9R0.47 COCCCC(N)C(=O)O Amb33549526 [1,1,0,0,0,0|0,0,1]=3 1957 B9R0.47 COCCCC(N)C(N)=O Amb26331697 [1,1,0,0,0,0|1,0,1]=4 1958 B9R0.47 COCCCC(O)C(=O)O Amb28050541 [1,1,0,0,0,0|1,0,1]=4 1959 B9R0.47 COCCC[C@@H](N)C(=O)O Amb25081508 [1,1,0,0,0,0|0,0,1]=3 1960 B9R0.47 COCCC[C@H](N)C(=O)O Amb25378737 [1,1,0,0,0,0|0,0,1]=3 1961 B9R0.47 CONCC[C@H](N)C(=O)O Amb27623933 [1,1,0,0,0,0|1,0,0]=3 1962 B9R0.47 CO\C=C\CC(O)C(=O)O Amb28050044 [1,1,0,0,0,0|1,0,1]=4 1963 B9R0.47 CSCCCC(N)C(=O)O Amb17594057 [1,1,0,0,0,0|0,1,1]=4 1964 B9R0.47 CSCCCC(N)C(=O)O Amb35789017 [1,1,0,0,0,0|0,1,1]=4 1965 B9R0.47 CSCCC[C@@H](N)C(=O)O Amb27233529 [1,1,0,0,0,0|0,1,1]=4 1966 B9R0.47 CSCCC[C@H](N)C(=O)O Amb27858783 [1,1,0,0,0,0|0,1,1]=4 1967 B9R0.47 CSCSC[C@H](N)C(=O)O Amb26874540 [1,1,0,0,0,0|2,0,0]=4 1968 B9R0.47 CSSCCC(N)C(=O)O Amb28456103 [1,1,0,0,0,0|1,1,0]=4 1969 B9R0.47 C[C@H](NCCCO)C(=O)O Amb27454333 [1,1,0,0,0,0|1,0,1]=4 1970 B9R0.47 C\C=C\CCC(C)C(=O)O Amb27461427 [1,1,0,0,0,0|2,0,0]=4 1971 B9R0.47 C\C=C\CCC(N)C(=O)O Amb27770583 [1,1,0,0,0,0|1,0,0]=3 1972 B9R0.47 N#CCCCC(N)C(=O)O Amb25242567 [1,1,0,0,0,0|1,0,1]=4 1973 B9R0.47 N#CCCC[C@@H](N)C(=O)O Amb28349132 [1,1,0,0,0,0|1,0,1]=4 1974 B9R0.47 N#CCCC[C@H](N)C(=O)O Amb26043277 [1,1,0,0,0,0|1,0,1]=4 1975 B9R0.47 N#CCSC[C@H](N)C(=O)O Amb18179968 [1,1,0,0,0,0|1,0,1]=4 1976 B9R0.47 N#CNCCC(N)C(=O)O Amb27180972 [1,1,0,0,0,0|1,0,1]=4 1977 B9R0.47 N#CSCCC(N)C(=O)O Amb27984671 [1,1,0,0,0,0|1,0,1]=4 1978 B9R0.47 NC(=O)C(N)CCCCO Amb33065912 [1,1,0,0,0,0|1,0,1]=4 1979 B9R0.47 NC(CCCCF)C(=O)O Amb28193271 [1,1,0,0,0,0|1,0,1]=4 1980 B9R0.47 NC(CCCCO)C(=O)O Amb2699159 [1,1,0,0,0,0|0,0,1]=3 1981 B9R0.47 NC(CCSN=O)C(=O)O Amb26516416 [1,1,0,0,0,0|1,0,0]=3 1982 B9R0.47 NC(COCCCl)C(=O)O Amb18126477 [1,1,0,0,0,0|1,0,1]=4 1983 B9R0.47 NC(CSCCO)C(=O)O Amb6262852 [1,1,0,0,0,0|0,0,1]=3 1984 B9R0.47 NC(CSCCS)C(=O)O Amb27837996 [1,1,0,0,0,0|0,1,1]=4 1985 B9R0.47 NC(CS\C=C\Cl)C(=O)O Amb28325993 [1,1,0,0,0,0|1,0,1]=4 1986 B9R0.47 NC(C\C=C/CO)C(=O)O Amb28046143 [1,1,0,0,0,0|0,0,1]=3 1987 B9R0.47 NCCCCC(N)C(=O)O Amb22349470 [1,1,0,0,0,0|1,0,1]=4 1988 B9R0.47 NCCCCC(N)C(=O)O Amb22489521 [1,1,0,0,0,0|1,0,1]=4 1989 B9R0.47 NCCCCC(N)C(=O)O Amb3940540 [1,1,0,0,0,0|1,0,1]=4 1990 B9R0.47 NCCCCC(N)C(=O)O Amb8516470 [1,1,0,0,0,0|1,0,1]=4 1991 B9R0.47 NCCCCC(N)C(=O)O Amb8516682 [1,1,0,0,0,0|1,0,1]=4 1992 B9R0.47 NCCCC[C@@H](N)C(=O)O Amb22750565 [1,1,0,0,0,0|1,0,1]=4 1993 B9R0.47 NCCCC[C@@H](N)C(=O)O Amb2720180 [1,1,0,0,0,0|1,0,1]=4 1994 B9R0.47 NCCCC[C@@H](N)C(=O)O Amb30621835 [1,1,0,0,0,0|1,0,1]=4 1995 B9R0.47 NCCCC[C@@H](N)C(=O)O Amb3940874 [1,1,0,0,0,0|1,0,1]=4 1996 B9R0.47 NCCCC[C@H](N)C(=O)O Amb2720055 [1,1,0,0,0,0|1,0,1]=4 1997 B9R0.47 NCCCC[C@H](N)C(=O)O Amb3940762 [1,1,0,0,0,0|1,0,1]=4 1998 B9R0.47 NCCCC[C@H](N)C(=O)O Amb8395455 [1,1,0,0,0,0|1,0,1]=4 1999 B9R0.47 NCCCC[C@H](N)C(=O)O Amb8513720 [1,1,0,0,0,0|1,0,1]=4 2000 B9R0.47 NCCCC[C@H](N)C(=O)O Amb8628529 [1,1,0,0,0,0|1,0,1]=4 2001 B9R0.47 NCCCC[C@H](N)C(=O)O Amb8628598 [1,1,0,0,0,0|1,0,1]=4 2002 B9R0.47 NCCCOC(N)C(=O)O Amb27838076 [1,1,0,0,0,0|1,0,1]=4 2003 B9R0.47 NCCCS[C@H](N)C(=O)O Amb27410557 [1,1,0,0,0,0|1,0,1]=4 2004 B9R0.47 NCCOCC(N)C(=O)O Amb27224745 [1,1,0,0,0,0|1,0,1]=4 2005 B9R0.47 NCCOC[C@H](N)C(=O)O Amb26844671 [1,1,0,0,0,0|1,0,1]=4 2006 B9R0.47 NCCSC[C@@H](N)C(=O)O Amb27945627 [1,1,0,0,0,0|1,0,1]=4 2007 B9R0.47 NCCSC[C@H](N)C(=O)O Amb22362775 [1,1,0,0,0,0|1,0,1]=4 2008 B9R0.47 NCCSC[C@H](N)C(=O)O Amb25887551 [1,1,0,0,0,0|1,0,1]=4 2009 B9R0.47 NCSCCC(N)C(=O)O Amb27468506 [1,1,0,0,0,0|1,0,1]=4 2010 B9R0.47 NCSCC[C@H](N)C(=O)O Amb27425090 [1,1,0,0,0,0|1,0,1]=4 2011 B9R0.47 NC\C=C\CC(N)C(=O)O Amb22800680 [1,1,0,0,0,0|1,0,1]=4 2012 B9R0.47 NOCCCC(N)C(=O)O Amb24117962 [1,1,0,0,0,0|0,0,1]=3 2013 B9R0.47 NOCCCC(N)C(=O)O Amb27222313 [1,1,0,0,0,0|0,0,1]=3 2014 B9R0.47 NOCCC[C@H](N)C(=O)O Amb28397870 [1,1,0,0,0,0|0,0,1]=3 2015 B9R0.47 N[C@@H](CCCC=O)C(=O)O Amb2695588 [1,1,0,0,0,0|0,0,0]=2 2016 B9R0.47 N[C@@H](CCCCBr)C(=O)O Amb28208462 [1,1,0,0,0,0|1,0,1]=4 2017 B9R0.47 N[C@@H](CCCCCl)C(=O)O Amb27267870 [1,1,0,0,0,0|1,0,1]=4 2018 B9R0.47 N[C@@H](CCCCF)C(=O)O Amb27945388 [1,1,0,0,0,0|1,0,1]=4 2019 B9R0.47 N[C@@H](CCCCO)C(=O)O Amb2695139 [1,1,0,0,0,0|0,0,1]=3 2020 B9R0.47 N[C@@H](CCCCS)C(=O)O Amb25729289 [1,1,0,0,0,0|0,1,1]=4 2021 B9R0.47 N[C@@H](CCCNO)C(=O)O Amb29083430 [1,1,0,0,0,0|0,0,1]=3 2022 B9R0.47 N[C@@H](CCCNO)C(=O)O Amb30666629 [1,1,0,0,0,0|0,0,1]=3 2023 B9R0.47 N[C@@H](CCSN=O)C(=O)O Amb24665147 [1,1,0,0,0,0|1,0,0]=3 2024 B9R0.47 N[C@@H](CNCCO)C(=O)O Amb25146307 [1,1,0,0,0,0|0,0,1]=3 2025 B9R0.47 N[C@@H](COCCCl)C(=O)O Amb28134274 [1,1,0,0,0,0|1,0,1]=4 2026 B9R0.47 N[C@@H](CSCCCl)C(=O)O Amb25887675 [1,1,0,0,0,0|1,0,1]=4 2027 B9R0.47 N[C@@H](CSCCF)C(=O)O Amb27837852 [1,1,0,0,0,0|1,0,1]=4 2028 B9R0.47 N[C@@H](CSCCO)C(=O)O Amb2695551 [1,1,0,0,0,0|0,0,1]=3 2029 B9R0.47 N[C@H](CC#CCO)C(=O)O Amb27391610 [1,1,0,0,0,0|0,0,2]=4 2030 B9R0.47 N[C@H](CCCC=O)C(=O)O Amb27272621 [1,1,0,0,0,0|0,0,0]=2 2031 B9R0.47 N[C@H](CCCCF)C(=O)O Amb26370180 [1,1,0,0,0,0|1,0,1]=4 2032 B9R0.47 N[C@H](CCCCO)C(=O)O Amb26969244 [1,1,0,0,0,0|0,0,1]=3 2033 B9R0.47 N[C@H](CSCCO)C(=O)O Amb8629048 [1,1,0,0,0,0|0,0,1]=3 2034 B9R0.47 N[C@H](\C=C\CCO)C(=O)O Amb24603441 [1,1,0,0,0,0|0,0,2]=4 2035 B9R0.47 O=C(O)C(Cl)CC\C=C\Cl Amb27984937 [1,1,0,0,0,0|2,0,0]=4 2036 B9R0.47 O=C(O)C(O)CCCCO Amb18644356 [1,1,0,0,0,0|1,0,1]=4 2037 B9R0.47 O=C(O)C(O)CNCCO Amb27456529 [1,1,0,0,0,0|1,0,1]=4 2038 B9R0.47 O=CCSCC(=O)C(=O)O Amb33069914 [1,1,0,0,0,0|1,0,1]=4 2039 B9R0.47 [N-]=[N+]=NCCC(N)C(=O)O Amb25766449 [1,1,0,0,0,0|2,0,0]=4 2040 B9R0.47 [N-]=[N+]=NCC[C@@H](N)C(=O)O Amb19130389 [1,1,0,0,0,0|2,0,0]=4 2041 B9R0.47 [N-]=[N+]=NCC[C@H](N)C(=O)O Amb16183915 [1,1,0,0,0,0|2,0,0]=4 2042 B9R0.47 [N-]=[N+]=NCC[C@H](N)C(=O)O Amb30586484 [1,1,0,0,0,0|2,0,0]=4 2043 B9R0.51 C=CCCC(C)(C)C(=O)O Amb22228237 [1,1,0,0,0,0|2,0,0]=4 2044 B9R0.51 C=CCCC(C)(N)C(=O)O Amb24524526 [1,1,0,0,0,0|1,0,0]=3 2045 B9R0.51 C=CCCC(C)(O)C(=O)O Amb28074348 [1,1,0,0,0,0|2,0,0]=4 2046 B9R0.51 C=CCCC(F)(F)C(=O)O Amb28325401 [1,1,0,0,0,0|2,0,0]=4 2047 B9R0.51 C=CCC[C@](C)(N)C(=O)O Amb24478852 [1,1,0,0,0,0|1,0,0]=3 2048 B9R0.51 CC(C)(CCCO)C(=O)O Amb28410873 [1,1,0,0,0,0|1,0,1]=4 2049 B9R0.51 CC(C)(CCNO)C(=O)O Amb28320464 [1,1,0,0,0,0|2,0,0]=4 2050 B9R0.51 CC(C)(CNC=O)C(=O)O Amb27592035 [1,1,0,0,0,0|2,0,0]=4 2051 B9R0.51 CC(N)(CCCF)C(=O)O Amb32670154 [1,1,0,0,0,0|1,0,1]=4 2052 B9R0.51 CC(N)(CCCN)C(=O)O Amb18644277 [1,1,0,0,0,0|1,0,1]=4 2053 B9R0.51 CC(N)(CCCN)C(=O)O Amb2697838 [1,1,0,0,0,0|1,0,1]=4 2054 B9R0.51 CCCCC(C)(N)C(=O)O Amb33743440 [1,1,0,0,0,0|1,0,1]=4 2055 B9R0.51 CCCCC(C)(N)C(=O)O Amb4134834 [1,1,0,0,0,0|1,0,1]=4 2056 B9R0.51 CCCC[C@@](C)(N)C(=O)O Amb26346904 [1,1,0,0,0,0|1,0,1]=4 2057 B9R0.51 CCCC[C@](C)(N)C(=O)O Amb25961122 [1,1,0,0,0,0|1,0,1]=4 2058 B9R0.51 COCC[C@](C)(N)C(=O)O Amb27425033 [1,1,0,0,0,0|2,0,0]=4 2059 B9R0.51 CSCC[C@@](C)(N)C(=O)O Amb24482190 [1,1,0,0,0,0|2,0,0]=4 2060 B9R0.51 C[C@@](N)(CCCN)C(=O)O Amb27468967 [1,1,0,0,0,0|1,0,1]=4 2061 B9R0.51 C[C@](O)(CCCO)C(=O)O Amb27252130 [1,1,0,0,0,0|1,0,1]=4 2062 B9R0.51 C\C=C\CC(C)(N)C(=O)O Amb27591750 [1,1,0,0,0,0|1,0,1]=4 2063 B9R0.51 O=C(O)C(F)(F)CCCO Amb24652882 [1,1,0,0,0,0|1,0,1]=4 2064 B9R0.21 CC(C=O)CCP(=O)(O)O Amb27261915 [1,1,0,0,0,0|2,0,0]=4 2065 B9R0.23 CC(=O)CC(C)C(C)C=O Amb28049891 [1,1,0,0,0,0|2,0,0]=4 2066 B9R0.23 CC(C=O)C(C)CC(=O)O Amb27838156 [1,1,0,0,0,0|1,0,0]=3 2067 B9R0.23 CC(CC(=O)O)C(N)CO Amb27843636 [1,1,0,0,0,0|0,0,1]=3 2068 B9R0.23 C[C@H](C=O)[C@@H](C)CC(=O)O Amb27874077 [1,1,0,0,0,0|1,0,0]=3 2069 B9R0.23 NC(CO)C(N)CC(=O)O Amb27804493 [1,1,0,0,0,0|0,0,1]=3 2070 B9R0.23 N[C@@H](CO)[C@H](N)CC(=O)O Amb27594534 [1,1,0,0,0,0|0,0,1]=3 2071 B9R0.23 O=C(O)C[C@@H](O)[C@@H](O)CO Amb24726353 [1,1,0,0,0,0|1,0,1]=4 2072 B9R0.24 C=C(C=O)CCC(=O)OC Amb27876497 [1,1,0,0,0,0|1,0,1]=4 2073 B9R0.24 C=CC(N)CCC(=O)OC Amb18124639 [1,1,0,0,0,0|1,0,0]=3 2074 B9R0.24 C=C[C@@H](N)CCC(=O)OC Amb27247194 [1,1,0,0,0,0|1,0,0]=3 2075 B9R0.24 CCC(=O)CCC(C)C=O Amb27424839 [1,1,0,0,0,0|2,0,0]=4 2076 B9R0.24 CCC(N)CCC(=O)OC Amb26855249 [1,1,0,0,0,0|1,0,1]=4 2077 B9R0.24 CCC(N)CCC(=O)OC Amb33483211 [1,1,0,0,0,0|1,0,1]=4 2078 B9R0.24 COC(=O)CCC(C)C=O Amb18644121 [1,1,0,0,0,0|1,0,0]=3 2079 B9R0.24 COC(=O)CCC(C)CO Amb28319952 [1,1,0,0,0,0|1,0,1]=4 2080 B9R0.24 COC(=O)CCC(Cl)C=O Amb27760397 [1,1,0,0,0,0|1,0,0]=3 2081 B9R0.24 COC(=O)CCC(N)CF Amb24517084 [1,1,0,0,0,0|1,0,1]=4 2082 B9R0.24 COC(=O)CC[C@@H](C)CO Amb28050698 [1,1,0,0,0,0|1,0,1]=4 2083 B9R0.24 COC(=O)CC[C@@H](O)CO Amb27761525 [1,1,0,0,0,0|1,0,1]=4 2084 B9R0.24 COC(=O)CC[C@H](N)CF Amb27628411 [1,1,0,0,0,0|1,0,1]=4 2085 B9R0.24 COC(=O)NCC(N)CO Amb27598507 [1,1,0,0,0,0|1,0,1]=4 2086 B9R0.43 C=CC(C=O)CCC(C)=O Amb24619623 [1,1,0,0,0,0|2,0,0]=4 2087 B9R0.43 CCC(C=O)CCC(C)=O Amb18643911 [1,1,0,0,0,0|2,0,0]=4 2088 B9R0.43 CCC(CCC(=O)O)NC Amb27230822 [1,1,0,0,0,0|1,0,1]=4 2089 B9R0.43 CC[C@H](C=O)CCC(C)=O Amb24573990 [1,1,0,0,0,0|2,0,0]=4 2090 B9R0.48 C=C=C[C@H](N)CCC(=O)O Amb27391437 [1,1,0,0,0,0|1,0,0]=3 2091 B9R0.48 C=CCC(C)CCC(=O)O Amb27605823 [1,1,0,0,0,0|2,0,0]=4 2092 B9R0.48 CC(=O)CCC(C)CC=O Amb28199726 [1,1,0,0,0,0|2,0,0]=4 2093 B9R0.48 CC(=O)CC[C@H](C)CC=O Amb27255456 [1,1,0,0,0,0|2,0,0]=4 2094 B9R0.48 CC(CC=O)CCC(=O)O Amb27439382 [1,1,0,0,0,0|1,0,0]=3 2095 B9R0.48 CC(CCC(=O)O)N=C=O Amb33471389 [1,1,0,0,0,0|1,0,1]=4 2096 B9R0.48 CCCC(N)CCC(=O)O Amb1014101 [1,1,0,0,0,0|1,0,1]=4 2097 B9R0.48 COCC(Cl)CCC(=O)O Amb27456486 [1,1,0,0,0,0|1,0,1]=4 2098 B9R0.48 COCC(N)CCC(=O)O Amb33036364 [1,1,0,0,0,0|0,0,1]=3 2099 B9R0.48 COCC(O)CCC(=O)O Amb33036250 [1,1,0,0,0,0|1,0,1]=4 2100 B9R0.48 CSCC(N)CCC(=O)O Amb33272065 [1,1,0,0,0,0|0,1,1]=4 2101 B9R0.48 C[C@@H](CCO)CCC(=O)O Amb28250798 [1,1,0,0,0,0|1,0,1]=4 2102 B9R0.48 C\C(=C/CO)CCC(=O)O Amb27630663 [1,1,0,0,0,0|1,0,1]=4 2103 B9R0.48 N#C\C=C(/N)CCC(=O)O Amb24053667 [1,1,0,0,0,0|1,0,1]=4 2104 B9R0.48 NC(CCF)CCC(=O)O Amb33480872 [1,1,0,0,0,0|1,0,1]=4 2105 B9R0.48 NC(\C=C\F)CCC(=O)O Amb27221055 [1,1,0,0,0,0|1,0,0]=3 2106 B9R0.48 NCCC(N)CCC(=O)O Amb27390542 [1,1,0,0,0,0|1,0,1]=4 2107 B9R0.48 N[C@H](CCS)CCC(=O)O Amb27857300 [1,1,0,0,0,0|0,1,1]=4 2108 B9R0.48 O=C(O)CCC(O)CCO Amb28121295 [1,1,0,0,0,0|1,0,1]=4 2109 B9R0.48 O=CCC(=O)CCC(=O)O Amb18644074 [1,1,0,0,0,0|1,0,1]=4 2110 B9R0.64 C=CC(C)(C)CCC(=O)O Amb28429810 [1,1,0,0,0,0|2,0,0]=4 2111 B9R0.64 CC(=O)CCC(C)(C)C=O Amb18643910 [1,1,0,0,0,0|2,0,0]=4 2112 B9R0.64 CC(C)(C=O)CCC(=O)O Amb18644118 [1,1,0,0,0,0|1,0,0]=3 2113 B9R0.64 CC(C)(C=O)CCC(N)=O Amb27812357 [1,1,0,0,0,0|2,0,0]=4 2114 B9R0.64 CC(C)(CO)CCC(=O)O Amb27173192 [1,1,0,0,0,0|1,0,1]=4 2115 B9R0.64 CCC(C)(N)CCC(=O)O Amb33036311 [1,1,0,0,0,0|1,0,1]=4 2116 B9R0.64 O=C(O)CCC(F)(F)CO Amb33620699 [1,1,0,0,0,0|1,0,1]=4 2117 B9R0.1 C=C(Br)CCCC(=O)OC Amb24717516 [1,1,0,0,0,0|2,0,0]=4 2118 B9R0.1 C=C(C)CCCC(=O)OC Amb25995990 [1,1,0,0,0,0|2,0,0]=4 2119 B9R0.1 C=C(C=O)CCCC(C)=O Amb8392635 [1,1,0,0,0,0|2,0,0]=4 2120 B9R0.1 C=CC(=O)CCCC(=O)O Amb27770363 [1,1,0,0,0,0|1,0,0]=3 2121 B9R0.1 C=CC(=O)CCCC(C)=O Amb27409542 [1,1,0,0,0,0|2,0,0]=4 2122 B9R0.1 C=CC(=O)NCCC(=O)O Amb6257105 [1,1,0,0,0,0|2,0,0]=4 2123 B9R0.1 C=CC(=O)OCCC(=O)O Amb18644058 [1,1,0,0,0,0|2,0,0]=4 2124 B9R0.1 CC(=O)CCCC(=O)NO Amb27980256 [1,1,0,0,0,0|1,0,0]=3 2125 B9R0.1 CC(=O)CCC\C(C)=N\O Amb28434847 [1,1,0,0,0,0|2,0,0]=4 2126 B9R0.1 CC(C=O)CCCC(=O)O Amb27173621 [1,1,0,0,0,0|1,0,1]=4 2127 B9R0.1 CCC(=O)NCCC(=O)O Amb1120326 [1,1,0,0,0,0|2,0,0]=4 2128 B9R0.1 CCC(=O)OCCC(=O)O Amb26597385 [1,1,0,0,0,0|2,0,0]=4 2129 B9R0.1 CCC(=O)SCCC(=O)O Amb27657281 [1,1,0,0,0,0|2,0,0]=4 2130 B9R0.1 CCC(O)CCCC(=O)O Amb18644263 [1,1,0,0,0,0|1,0,1]=4 2131 B9R0.1 CCN(O)CCCC(=O)O Amb27630754 [1,1,0,0,0,0|2,0,0]=4 2132 B9R0.1 CN(CCCC(=O)O)N=O Amb17618588 [1,1,0,0,0,0|2,0,0]=4 2133 B9R0.1 CNC(=O)CCCC(=O)[O-] Amb24271120 [1,1,0,0,0,0|1,0,1]=4 2134 B9R0.1 CNC(=O)CNCC(=O)O Amb8943036 [1,1,0,0,0,0|2,0,0]=4 2135 B9R0.1 CNC(=O)COCC(=O)O Amb17232024 [1,1,0,0,0,0|2,0,0]=4 2136 B9R0.1 CNC(=O)CSCC(=O)O Amb6251930 [1,1,0,0,0,0|2,0,0]=4 2137 B9R0.1 CNC(=O)NCCC(=O)O Amb1127025 [1,1,0,0,0,0|2,0,0]=4 2138 B9R0.1 COC(=O)CCCB(O)O Amb25676456 [1,1,0,0,0,0|1,0,1]=4 2139 B9R0.1 COC(=O)CCCC(=O)Cl Amb3939328 [1,1,0,0,0,0|1,0,0]=3 2140 B9R0.1 COC(=O)CCCC(=O)O Amb2720900 [1,1,0,0,0,0|0,0,0]=2 2141 B9R0.1 COC(=O)CCCC(=O)[O-] Amb33948529 [1,1,0,0,0,0|0,0,1]=3 2142 B9R0.1 COC(=O)CCCC(C)=O Amb17846860 [1,1,0,0,0,0|1,0,0]=3 2143 B9R0.1 COC(=O)CCCC(C)O Amb24414468 [1,1,0,0,0,0|1,0,1]=4 2144 B9R0.1 COC(=O)CCCC(N)=O Amb27882411 [1,1,0,0,0,0|1,0,0]=3 2145 B9R0.1 COC(=O)CCCC(N)=S Amb25360938 [1,1,0,0,0,0|1,1,0]=4 2146 B9R0.1 COC(=O)CCCS(=O)Cl Amb26409514 [1,1,0,0,0,0|2,0,0]=4 2147 B9R0.1 COC(=O)CCCS(=O)[O-] Amb25914636 [1,1,0,0,0,0|1,0,1]=4 2148 B9R0.1 COC(=O)CCCS(C)=O Amb18788307 [1,1,0,0,0,0|2,0,0]=4 2149 B9R0.1 COC(=O)CCCS(N)=O Amb32720319 [1,1,0,0,0,0|2,0,0]=4 2150 B9R0.1 COC(=O)CCC[C@H](C)O Amb27839593 [1,1,0,0,0,0|1,0,1]=4 2151 B9R0.1 COC(=O)CCC[N+](=O)[O-] Amb1073683 [1,1,0,0,0,0|1,0,1]=4 2152 B9R0.1 COC(=O)CCNC(C)=O Amb15691935 [1,1,0,0,0,0|2,0,0]=4 2153 B9R0.1 COC(=O)CCNC(N)=O Amb22740124 [1,1,0,0,0,0|2,0,0]=4 2154 B9R0.1 COC(=O)CCOC(C)=O Amb27972208 [1,1,0,0,0,0|2,0,0]=4 2155 B9R0.1 COC(=O)CCSC(=O)Cl Amb26446360 [1,1,0,0,0,0|2,0,0]=4 2156 B9R0.1 COC(=O)CCSC(N)=O Amb28254662 [1,1,0,0,0,0|2,0,0]=4 2157 B9R0.1 COC(=O)CNCC(=O)O Amb7766422 [1,1,0,0,0,0|1,0,0]=3 2158 B9R0.1 COC(=O)COCC(=O)O Amb25305044 [1,1,0,0,0,0|1,0,0]=3 2159 B9R0.1 COC(=O)COCC(C)=O Amb8392403 [1,1,0,0,0,0|2,0,0]=4 2160 B9R0.1 COC(=O)CSCC(=O)O Amb33532171 [1,1,0,0,0,0|1,0,0]=3 2161 B9R0.1 COC(=O)CSCC(C)=O Amb2444691 [1,1,0,0,0,0|2,0,0]=4 2162 B9R0.1 COC(=O)NCCC(=O)O Amb6468177 [1,1,0,0,0,0|1,0,0]=3 2163 B9R0.1 COC(=O)OCCC(C)=O Amb28049880 [1,1,0,0,0,0|2,0,0]=4 2164 B9R0.1 COC(=S)SCCC(=O)O Amb27983821 [1,1,0,0,0,0|1,1,0]=4 2165 B9R0.1 CON(C)CCCC(=O)O Amb28126925 [1,1,0,0,0,0|2,0,0]=4 2166 B9R0.1 C\C(CCCC(=O)O)=N/O Amb27779283 [1,1,0,0,0,0|1,0,0]=3 2167 B9R0.1 NC(=O)CCOC(=O)CO Amb28136694 [1,1,0,0,0,0|2,0,0]=4 2168 B9R0.1 NC(=O)CSCC(=O)NO Amb27764593 [1,1,0,0,0,0|2,0,0]=4 2169 B9R0.1 NC(CO)CCCC(=O)O Amb25889148 [1,1,0,0,0,0|1,0,1]=4 2170 B9R0.1 NCC(=O)CCCC(=O)O Amb22035333 [1,1,0,0,0,0|1,0,0]=3 2171 B9R0.1 NCC(=O)CNCC(=O)O Amb27979091 [1,1,0,0,0,0|2,0,0]=4 2172 B9R0.1 NCC(=O)NCCC(=O)O Amb4018061 [1,1,0,0,0,0|2,0,0]=4 2173 B9R0.1 N[C@H](CO)CCCC(=O)O Amb27751891 [1,1,0,0,0,0|1,0,1]=4 2174 B9R0.1 N\C(CNCC(=O)O)=N/O Amb27881601 [1,1,0,0,0,0|2,0,0]=4 2175 B9R0.1 O=C(O)CCCC(=O)CO Amb27493969 [1,1,0,0,0,0|0,0,0]=2 2176 B9R0.1 O=C(O)CCCC(=O)NO Amb27494720 [1,1,0,0,0,0|0,0,0]=2 2177 B9R0.1 O=C(O)CCNC(=O)CBr Amb17609911 [1,1,0,0,0,0|2,0,0]=4 2178 B9R0.1 O=C(O)CCNC(=O)CCl Amb2781692 [1,1,0,0,0,0|2,0,0]=4 2179 B9R0.1 O=C(O)CCNC(=O)CO Amb24478846 [1,1,0,0,0,0|1,0,0]=3 2180 B9R0.1 O=CN(O)CCCC(=O)O Amb25320259 [1,1,0,0,0,0|1,0,0]=3 2181 B9R0.53 C=C(C)CC(N)CC(=O)O Amb32687894 [1,1,0,0,0,0|2,0,0]=4 2182 B9R0.53 CC(=O)C[C@@H](C)CC(=O)O Amb27881969 [1,1,0,0,0,0|1,0,0]=3 2183 B9R0.53 CC(=O)NC(C)CC(=O)O Amb9007551 [1,1,0,0,0,0|2,0,0]=4 2184 B9R0.53 CC(=O)N[C@@H](C)CC(=O)O Amb2372568 [1,1,0,0,0,0|2,0,0]=4 2185 B9R0.53 CC(=O)O[C@@H](C)CC(=O)O Amb28340506 [1,1,0,0,0,0|2,0,0]=4 2186 B9R0.53 CC(=O)SC(C)CC(=O)O Amb4014288 [1,1,0,0,0,0|2,0,0]=4 2187 B9R0.53 CC(CC(=O)Cl)CC(=O)Cl Amb28076995 [1,1,0,0,0,0|2,0,0]=4 2188 B9R0.53 CC(CC(=O)O)CC(=O)O Amb2782854 [1,1,0,0,0,0|0,0,0]=2 2189 B9R0.53 CC(CC(=O)O)NC(N)=O Amb9018480 [1,1,0,0,0,0|2,0,0]=4 2190 B9R0.53 CC(CC(N)=O)CC(N)=O Amb4020693 [1,1,0,0,0,0|2,0,0]=4 2191 B9R0.53 CN(CC(=O)O)CC(=O)O Amb1156001 [1,1,0,0,0,0|1,0,0]=3 2192 B9R0.53 CS(=O)C[C@H](N)CC(=O)O Amb27776743 [1,1,0,0,0,0|2,0,0]=4 2193 B9R0.53 C[C@@H](CC(N)=O)CC(=O)O Amb27404517 [1,1,0,0,0,0|1,0,0]=3 2194 B9R0.53 C\C(=C/C(=O)O)CC(=O)O Amb24556420 [1,1,0,0,0,0|0,0,2]=4 2195 B9R0.53 C\C(=C\C(=O)O)CC(=O)O Amb26421861 [1,1,0,0,0,0|0,0,2]=4 2196 B9R0.53 NC(=O)CC(N)CC(=O)O Amb27837998 [1,1,0,0,0,0|1,0,0]=3 2197 B9R0.53 NC(=O)CC(O)CC(N)=O Amb27203532 [1,1,0,0,0,0|2,0,0]=4 2198 B9R0.53 NC(=O)C[C@@H](N)CC(=O)O Amb26023970 [1,1,0,0,0,0|1,0,0]=3 2199 B9R0.53 NC(CC(=O)O)CC(=O)O Amb16184013 [1,1,0,0,0,0|0,0,0]=2 2200 B9R0.53 NC(CC(=O)O)CC(=O)O Amb6296966 [1,1,0,0,0,0|0,0,0]=2 2201 B9R0.53 NN(CC(=O)O)CC(=O)O Amb534841 [1,1,0,0,0,0|1,0,0]=3 2202 B9R0.53 O=C(Cl)CC(Cl)CC(=O)Cl Amb27390104 [1,1,0,0,0,0|2,0,0]=4 2203 B9R0.53 O=C(O)CC(=O)CC(=O)O Amb6298323 [1,1,0,0,0,0|0,0,1]=3 2204 B9R0.53 O=C(O)CC(Br)CC(=O)O Amb28049987 [1,1,0,0,0,0|0,0,0]=2 2205 B9R0.53 O=C(O)CC(O)CC(=O)O Amb17615401 [1,1,0,0,0,0|0,0,0]=2 2206 B9R0.53 O=C(O)CS(=O)CC(=O)O Amb6364793 [1,1,0,0,0,0|1,0,0]=3 2207 B9R0.53 O=C(O)\C=C(\Cl)CC(=O)O Amb2612119 [1,1,0,0,0,0|0,0,2]=4 2208 B9R0.53 [NH3+]N(CC(=O)O)CC(=O)O Amb23453377 [1,1,0,0,0,0|1,0,0]=3 2209 B9R0.56 CC(C)(O)CCCC(=O)O Amb24340189 [1,1,0,0,0,0|1,0,1]=4 2210 B9R0.56 CP(=O)(O)CCCC(=O)O Amb24524573 [1,1,0,0,0,0|1,0,0]=3 2211 B9R0.56 CS(=O)(=O)CCCC(=O)O Amb17503668 [1,1,0,0,0,0|1,0,1]=4 2212 B9R0.56 NP(=O)(O)CNCC(=O)O Amb27233408 [1,1,0,0,0,0|2,0,0]=4 2213 B9R0.56 NS(=O)(=O)CCCC(=O)O Amb6741827 [1,1,0,0,0,0|1,0,1]=4 2214 B9R0.56 O=C(O)CCCS(=O)(=O)Cl Amb28196571 [1,1,0,0,0,0|1,0,1]=4 2215 B9R0.56 O=C(O)CCCS(=O)(=O)O Amb27471573 [1,1,0,0,0,0|1,0,0]=3 2216 B9R0.56 O=C(O)CNCP(=O)(O)O Amb3941678 [1,1,0,0,0,0|2,0,0]=4 2217 B9R0.56 O=C(O)CNCP(=O)([O-])O Amb28995134 [1,1,0,0,0,0|2,0,0]=4 2218 B9R0.10 CC(CC(=O)O)S(=O)(=O)O Amb27634850 [0,1,0,0,1,0|2,0,0]=4 2219 B9R0.10 CP(=O)(O)C(N)CC(=O)O Amb27831332 [0,1,0,0,1,0|1,0,0]=3 2220 B9R0.10 CP(=O)(O)C(N)CC(N)=O Amb27615069 [0,1,0,0,1,0|2,0,0]=4 2221 B9R0.10 C[C@H](CC(=O)O)P(=O)(O)O Amb27645396 [0,1,0,0,1,0|2,0,0]=4 2222 B9R0.11 C=C(C)C(C)(N)CC(=O)O Amb22641962 [0,1,0,0,1,0|2,0,0]=4 2223 B9R0.11 C=C(C)C(C)(N)CC(=O)O Amb31307620 [0,1,0,0,1,0|2,0,0]=4 2224 B9R0.11 C=C(C)CC(C)(N)C(=O)O Amb27838051 [0,1,0,0,1,0|2,0,0]=4 2225 B9R0.11 C=C(F)C[C@](C)(N)C(=O)O Amb27440834 [0,1,0,0,1,0|2,0,0]=4 2226 B9R0.11 CC(=O)C(C)(C)CC(=O)O Amb594714 [0,1,0,0,1,0|2,0,0]=4 2227 B9R0.11 CC(=O)CC(C)(C)C(=O)O Amb18644092 [0,1,0,0,1,0|2,0,0]=4 2228 B9R0.11 CC(=O)CC(C)(S)C(=O)O Amb27984551 [0,1,0,0,1,0|2,0,0]=4 2229 B9R0.11 CC(=O)C[C@](C)(O)C(=O)O Amb27170683 [0,1,0,0,1,0|2,0,0]=4 2230 B9R0.11 CC(=O)NC(C)(N)C(=O)O Amb27881127 [0,1,0,0,1,0|2,0,0]=4 2231 B9R0.11 CC(C)(CC(=O)O)C(=O)Cl Amb27449457 [0,1,0,0,1,0|2,0,0]=4 2232 B9R0.11 CC(C)(CC(=O)O)C(=O)O Amb9787793 [0,1,0,0,1,0|1,0,0]=3 2233 B9R0.11 CC(Cl)(CC(=O)O)C(=O)O Amb18126463 [0,1,0,0,1,0|1,0,0]=3 2234 B9R0.11 CC(Cl)(CS(=O)O)C(=O)O Amb27781534 [0,1,0,0,1,0|2,0,0]=4 2235 B9R0.11 CC(N)(CC(=O)O)C(=O)O Amb10807406 [0,1,0,0,1,0|0,0,0]=2 2236 B9R0.11 CC(N)(CC(=O)O)[PH](=O)O Amb25701546 [0,1,0,0,1,0|1,0,0]=3 2237 B9R0.11 CC(N)(CC(N)=O)C(=O)O Amb28131361 [0,1,0,0,1,0|1,0,0]=3 2238 B9R0.11 CC(O)(CC(=O)O)C(=O)O Amb6366309 [0,1,0,0,1,0|1,0,0]=3 2239 B9R0.11 CC(O)CC(C)(N)C(=O)O Amb28289237 [0,1,0,0,1,0|1,0,1]=4 2240 B9R0.11 C[C@@](N)(CC(N)=O)C(=O)O Amb22225025 [0,1,0,0,1,0|1,0,0]=3 2241 B9R0.11 C[C@](N)(CC(=O)O)C(=O)O Amb10601663 [0,1,0,0,1,0|0,0,0]=2 2242 B9R0.11 C[C@](N)(CC(N)=O)C(=O)O Amb27195940 [0,1,0,0,1,0|1,0,0]=3 2243 B9R0.11 C[C@](O)(CC(=O)O)C(=O)O Amb26398856 [0,1,0,0,1,0|1,0,0]=3 2244 B9R0.11 NC(=O)CC(N)(O)C(=O)O Amb27794741 [0,1,0,0,1,0|1,0,0]=3 2245 B9R0.11 NC(=O)C[C@@](N)(O)C(=O)O Amb28348701 [0,1,0,0,1,0|1,0,0]=3 2246 B9R0.11 O=C(O)CC(Cl)(Cl)C(=O)O Amb27971430 [0,1,0,0,1,0|1,0,0]=3 2247 B9R0.11 O=C(O)CC(F)(F)C(=O)O Amb2732193 [0,1,0,0,1,0|1,0,0]=3 2248 B9R0.39 C=C(C)C(CN)CC(=O)O Amb33199956 [0,1,0,0,1,0|2,0,0]=4 2249 B9R0.39 CC(=O)CC(C=O)C(=O)O Amb28048038 [0,1,0,0,1,0|2,0,0]=4 2250 B9R0.39 CC(=O)NC(CN)C(=O)O Amb28128874 [0,1,0,0,1,0|2,0,0]=4 2251 B9R0.39 CC(=O)O[C@@H](CN)C(=O)O Amb27874054 [0,1,0,0,1,0|2,0,0]=4 2252 B9R0.39 CCC(CC(=O)O)C(=O)O Amb10071696 [0,1,0,0,1,0|1,0,0]=3 2253 B9R0.39 CCC(CC(C)=O)C(=O)O Amb18644109 [0,1,0,0,1,0|2,0,0]=4 2254 B9R0.39 CC[C@@H](CC(=O)O)C(=O)O Amb27830576 [0,1,0,0,1,0|1,0,0]=3 2255 B9R0.39 CC[C@H](CC(=O)O)C(=O)O Amb24643194 [0,1,0,0,1,0|1,0,0]=3 2256 B9R0.39 CNC(CC(=O)O)C(=O)O Amb1905634 [0,1,0,0,1,0|0,0,0]=2 2257 B9R0.39 CNC(CC(=O)O)C(=O)O Amb30867747 [0,1,0,0,1,0|0,0,0]=2 2258 B9R0.39 CNC(CC(=O)O)C(C)=O Amb18611382 [0,1,0,0,1,0|1,0,0]=3 2259 B9R0.39 CNC(CC(N)=O)C(=O)O Amb18644255 [0,1,0,0,1,0|1,0,0]=3 2260 B9R0.39 CN[C@@H](CC(=O)O)C(=O)O Amb3499450 [0,1,0,0,1,0|0,0,0]=2 2261 B9R0.39 CN[C@H](CC(=O)O)C(=O)O Amb8515692 [0,1,0,0,1,0|0,0,0]=2 2262 B9R0.39 CN[C@H](CC(N)=O)C(=O)O Amb28049962 [0,1,0,0,1,0|1,0,0]=3 2263 B9R0.39 COC(CC(=O)O)C(C)=O Amb27952022 [0,1,0,0,1,0|2,0,0]=4 2264 B9R0.39 COC(CC(=O)O)C(N)=O Amb23536075 [0,1,0,0,1,0|2,0,0]=4 2265 B9R0.39 CO[C@H](CC(=O)O)C(=O)O Amb27849552 [0,1,0,0,1,0|1,0,0]=3 2266 B9R0.39 CSC(CC(=O)O)C(=O)O Amb18646024 [0,1,0,0,1,0|1,0,0]=3 2267 B9R0.39 C\C=C(/CC(=O)O)C(=O)O Amb8631758 [0,1,0,0,1,0|1,0,1]=4 2268 B9R0.39 C\C=C(\CC(=O)O)C(=O)O Amb25292254 [0,1,0,0,1,0|1,0,1]=4 2269 B9R0.39 N=CC(CC(=O)O)C(=O)O Amb27653604 [0,1,0,0,1,0|0,0,1]=3 2270 B9R0.39 NC(=O)CC(CO)C(=O)O Amb28411495 [0,1,0,0,1,0|2,0,0]=4 2271 B9R0.39 NC(=O)CC(NO)C(=O)O Amb27168203 [0,1,0,0,1,0|1,0,0]=3 2272 B9R0.39 NC(=O)C[C@H](NO)C(=O)O Amb28364297 [0,1,0,0,1,0|1,0,0]=3 2273 B9R0.39 NCC(CC(=O)O)C(=O)O Amb22546423 [0,1,0,0,1,0|0,0,0]=2 2274 B9R0.39 NCC(CC(=O)O)C(=O)O Amb24538047 [0,1,0,0,1,0|0,0,0]=2 2275 B9R0.39 NNC(CC(=O)O)C(=O)O Amb28070991 [0,1,0,0,1,0|0,0,0]=2 2276 B9R0.39 NN[C@@H](CC(=O)O)C(=O)O Amb24117193 [0,1,0,0,1,0|0,0,0]=2 2277 B9R0.39 N\C=C(\CC(=O)O)C(=O)O Amb28050321 [0,1,0,0,1,0|0,0,1]=3 2278 B9R0.39 O=C(O)CC(CBr)C(=O)O Amb22752144 [0,1,0,0,1,0|1,0,0]=3 2279 B9R0.39 O=C(O)CC(CF)C(=O)O Amb33379249 [0,1,0,0,1,0|1,0,0]=3 2280 B9R0.39 O=C(O)CC(NCl)C(=O)O Amb27953217 [0,1,0,0,1,0|0,0,0]=2 2281 B9R0.39 O=C(O)CC(NO)C(=O)O Amb24685872 [0,1,0,0,1,0|0,0,0]=2 2282 B9R0.39 O=C(O)CC(NS)C(=O)O Amb25808901 [0,1,0,0,1,0|0,0,0]=2 2283 B9R0.39 O=C(O)C[C@H](NCl)C(=O)O Amb27401859 [0,1,0,0,1,0|0,0,0]=2 2284 B9R0.39 O=C(O)C[C@H](NO)C(=O)O Amb24117497 [0,1,0,0,1,0|0,0,0]=2 2285 B9R0.39 O=C(O)C[C@H](NO)C(=O)O Amb24630025 [0,1,0,0,1,0|0,0,0]=2 2286 B9R0.39 O=C(O)C\C(=N/O)C(=O)O Amb24117074 [0,1,0,0,1,0|0,0,2]=4 2287 B9R0.39 O=C(O)C\C(=N\O)C(=O)O Amb27828721 [0,1,0,0,1,0|0,0,2]=4 2288 B9R0.57 CC(C)(O)CC(N)C(=O)O Amb18644326 [0,1,0,0,1,0|1,0,1]=4 2289 B9R0.57 CC(C)(O)C[C@@H](N)C(=O)O Amb24479570 [0,1,0,0,1,0|1,0,1]=4 2290 B9R0.57 CC(C)(O)C[C@H](N)C(=O)O Amb25992355 [0,1,0,0,1,0|1,0,1]=4 2291 B9R0.57 CC(CP(=O)(O)O)C(=O)O Amb27878703 [0,1,0,0,1,0|2,0,0]=4 2292 B9R0.57 CP(=O)(O)CC(N)C(=O)O Amb27770381 [0,1,0,0,1,0|1,0,0]=3 2293 B9R0.57 CS(=O)(=O)CC(N)C(=O)O Amb27983621 [0,1,0,0,1,0|1,0,1]=4 2294 B9R0.57 CS(=O)(=O)CC(N)C(=O)O Amb32753509 [0,1,0,0,1,0|1,0,1]=4 2295 B9R0.57 CS(=O)(=O)C[C@@H](N)C(=O)O Amb27831327 [0,1,0,0,1,0|1,0,1]=4 2296 B9R0.57 CS(=O)(=O)C[C@H](N)C(=O)O Amb27231797 [0,1,0,0,1,0|1,0,1]=4 2297 B9R0.57 CS(=O)(=O)C[C@H](N)C(=O)O Amb32683294 [0,1,0,0,1,0|1,0,1]=4 2298 B9R0.57 C[Si](C)(O)C[C@H](N)C(=O)O Amb27408998 [0,1,0,0,1,0|1,1,0]=4 2299 B9R0.57 NC(CP(=O)(O)O)C(=O)O Amb542762 [0,1,0,0,1,0|1,0,0]=3 2300 B9R0.57 NC(CP(O)(O)=S)C(=O)O Amb27232821 [0,1,0,0,1,0|1,0,1]=4 2301 B9R0.57 NC(CS(=O)(=O)Cl)C(=O)O Amb28367339 [0,1,0,0,1,0|1,0,1]=4 2302 B9R0.57 NC(CS(=O)(=O)O)C(=O)O Amb2698240 [0,1,0,0,1,0|1,0,0]=3 2303 B9R0.57 NC(CS(=O)(=O)S)C(=O)O Amb27982339 [0,1,0,0,1,0|1,0,1]=4 2304 B9R0.57 N[C@@H](CP(=O)(O)O)C(=O)O Amb2719731 [0,1,0,0,1,0|1,0,0]=3 2305 B9R0.57 N[C@@H](CS(=O)(=O)O)C(=O)O Amb17942867 [0,1,0,0,1,0|1,0,0]=3 2306 B9R0.57 N[C@@H](CS(=O)(=O)O)C(=O)O Amb3940873 [0,1,0,0,1,0|1,0,0]=3 2307 B9R0.57 N[C@@H](CS(N)(=O)=O)C(=O)O Amb26342340 [0,1,0,0,1,0|1,0,1]=4 2308 B9R0.57 N[C@H](CP(=O)(O)O)C(=O)O Amb8515685 [0,1,0,0,1,0|1,0,0]=3 2309 B9R0.57 O=C(O)C(O)CP(=O)(O)O Amb27166079 [0,1,0,0,1,0|2,0,0]=4 2310 B9R0.57 O=C(O)C(O)CS(=O)(=O)O Amb20247567 [0,1,0,0,1,0|2,0,0]=4 2311 B9R0.79 C=C(C)C(N)C(C)C(=O)O Amb33036349 [0,1,0,0,1,0|2,0,0]=4 2312 B9R0.79 C=C(C)C(O)C(N)C(=O)O Amb33199606 [0,1,0,0,1,0|2,0,0]=4 2313 B9R0.79 CC(=O)C(C)C(N)C(=O)O Amb18202116 [0,1,0,0,1,0|1,0,0]=3 2314 B9R0.79 CC(=O)C(C)C(N)C(N)=O Amb27613013 [0,1,0,0,1,0|2,0,0]=4 2315 B9R0.79 CC(=O)C(O)C(O)C(=O)O Amb25292189 [0,1,0,0,1,0|2,0,0]=4 2316 B9R0.79 CC(=O)[C@@H](C)[C@@H](O)C(=O)O Amb27661780 [0,1,0,0,1,0|2,0,0]=4 2317 B9R0.79 CC(=O)[C@@H](C)[C@H](O)C(=O)O Amb28050113 [0,1,0,0,1,0|2,0,0]=4 2318 B9R0.79 CC(=O)[C@H](C)[C@H](N)C(=O)O Amb27424983 [0,1,0,0,1,0|1,0,0]=3 2319 B9R0.79 CC(=S)[C@H](C)[C@H](N)C(=O)O Amb26642807 [0,1,0,0,1,0|1,1,0]=4 2320 B9R0.79 CC(C(=O)O)C(Br)C(=O)O Amb2612973 [0,1,0,0,1,0|1,0,0]=3 2321 B9R0.79 CC(C(=O)O)C(C)C(=O)O Amb8513150 [0,1,0,0,1,0|1,0,0]=3 2322 B9R0.79 CC(C(=O)O)C(N)C(=O)O Amb2099482 [0,1,0,0,1,0|0,0,0]=2 2323 B9R0.79 CC(C(=O)O)C(O)C(=O)O Amb17593680 [0,1,0,0,1,0|1,0,0]=3 2324 B9R0.79 CC(O)C(C)C(N)C(=O)O Amb21953714 [0,1,0,0,1,0|1,0,1]=4 2325 B9R0.79 CC(O)C(C)[C@@H](N)C(=O)O Amb22800202 [0,1,0,0,1,0|1,0,1]=4 2326 B9R0.79 CC(O)C(C)[C@H](N)C(=O)O Amb27390194 [0,1,0,0,1,0|1,0,1]=4 2327 B9R0.79 CC(O)C(O)C(N)C(=O)O Amb27210841 [0,1,0,0,1,0|1,0,1]=4 2328 B9R0.79 CC(O)[C@@H](C)[C@@H](N)C(=O)O Amb33524291 [0,1,0,0,1,0|1,0,1]=4 2329 B9R0.79 C[C@@H](C(=O)O)C(N)C(=O)O Amb27877897 [0,1,0,0,1,0|0,0,0]=2 2330 B9R0.79 C[C@@H](C(=O)O)[C@@H](N)C(=O)O Amb27170727 [0,1,0,0,1,0|0,0,0]=2 2331 B9R0.79 C[C@@H](C(=O)O)[C@H](N)C(=O)O Amb25324829 [0,1,0,0,1,0|0,0,0]=2 2332 B9R0.79 C[C@@H](C(=O)O)[C@H](O)C(=O)O Amb27243908 [0,1,0,0,1,0|1,0,0]=3 2333 B9R0.79 C[C@@H](O)[C@H](C)[C@@H](N)C(=O)O Amb27252085 [0,1,0,0,1,0|1,0,1]=4 2334 B9R0.79 C[C@@H](O)[C@H](C)[C@H](N)C(=O)O Amb17615448 [0,1,0,0,1,0|1,0,1]=4 2335 B9R0.79 C[C@H](C(=O)O)[C@@H](C)C(=O)O Amb22801175 [0,1,0,0,1,0|1,0,0]=3 2336 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 2337 B9R0.79 C[C@H](C(=O)O)[C@@H](N)C(=O)O Amb27783086 [0,1,0,0,1,0|0,0,0]=2 2338 B9R0.79 C[C@H](C(=O)O)[C@@H](N)C(=O)O Amb31031234 [0,1,0,0,1,0|0,0,0]=2 2339 B9R0.79 C[C@H](C(=O)O)[C@H](Br)C(=O)O Amb27463297 [0,1,0,0,1,0|1,0,0]=3 2340 B9R0.79 C[C@H](C(=O)O)[C@H](C)C(=O)O Amb27460990 [0,1,0,0,1,0|1,0,0]=3 2341 B9R0.79 C[C@H](C(=O)O)[C@H](Cl)C(=O)O Amb27955233 [0,1,0,0,1,0|1,0,0]=3 2342 B9R0.79 C[C@H](O)[C@@H](C)[C@@H](N)C(=O)O Amb27655509 [0,1,0,0,1,0|1,0,1]=4 2343 B9R0.79 C[C@H](O)[C@H](C)[C@H](N)C(=O)O Amb27595659 [0,1,0,0,1,0|1,0,1]=4 2344 B9R0.79 C[C@H]([C@@H](C)O)[C@@H](N)C(=O)O Amb25693814 [0,1,0,0,1,0|1,0,1]=4 2345 B9R0.79 NC(=O)C(N)C(N)C(=O)O Amb27424997 [0,1,0,0,1,0|1,0,0]=3 2346 B9R0.79 NC(=O)C(O)C(O)C(=O)O Amb24112928 [0,1,0,0,1,0|2,0,0]=4 2347 B9R0.79 NC(=O)[C@@H](N)[C@@H](O)C(N)=O Amb27259156 [0,1,0,0,1,0|2,0,0]=4 2348 B9R0.79 NC(=O)[C@@H](N)[C@H](O)C(N)=O Amb28126957 [0,1,0,0,1,0|2,0,0]=4 2349 B9R0.79 NC(=O)[C@@H](O)[C@H](N)C(=O)O Amb24763774 [0,1,0,0,1,0|1,0,0]=3 2350 B9R0.79 NC(=O)[C@H](O)[C@@H](O)C(=O)O Amb28341817 [0,1,0,0,1,0|2,0,0]=4 2351 B9R0.79 NC(C(=O)O)C(F)C(=O)O Amb24061061 [0,1,0,0,1,0|0,0,0]=2 2352 B9R0.79 NC(C(=O)O)C(N)C(=O)O Amb24117894 [0,1,0,0,1,0|0,0,0]=2 2353 B9R0.79 NC(C(=O)O)C(O)C(=O)O Amb9871461 [0,1,0,0,1,0|0,0,0]=2 2354 B9R0.79 N[C@@H](C(=O)O)C(F)C(=O)O Amb27494927 [0,1,0,0,1,0|0,0,0]=2 2355 B9R0.79 N[C@@H](C(=O)O)[C@@H](O)C(=O)O Amb17942870 [0,1,0,0,1,0|0,0,0]=2 2356 B9R0.79 N[C@@H](C(=O)O)[C@H](O)C(=O)O Amb27470435 [0,1,0,0,1,0|0,0,0]=2 2357 B9R0.79 N[C@H](C(=O)O)C(F)C(=O)O Amb27796116 [0,1,0,0,1,0|0,0,0]=2 2358 B9R0.79 N[C@H](C(=O)O)[C@@H](F)C(=O)O Amb27865514 [0,1,0,0,1,0|0,0,0]=2 2359 B9R0.79 N[C@H](C(=O)O)[C@@H](N)C(=O)O Amb10072362 [0,1,0,0,1,0|0,0,0]=2 2360 B9R0.79 N[C@H](C(=O)O)[C@@H](O)C(=O)O Amb24087715 [0,1,0,0,1,0|0,0,0]=2 2361 B9R0.79 N[C@H](C(=O)O)[C@@H](O)C(=O)O Amb24117974 [0,1,0,0,1,0|0,0,0]=2 2362 B9R0.79 N[C@H](C(=O)O)[C@H](Cl)C(=O)O Amb27796563 [0,1,0,0,1,0|0,0,0]=2 2363 B9R0.79 N[C@H](C(=O)O)[C@H](F)C(=O)O Amb26945975 [0,1,0,0,1,0|0,0,0]=2 2364 B9R0.79 N[C@H](C(=O)O)[C@H](N)C(=O)O Amb27173533 [0,1,0,0,1,0|0,0,0]=2 2365 B9R0.79 N[C@H](C(=O)O)[C@H](O)C(=O)O Amb17615140 [0,1,0,0,1,0|0,0,0]=2 2366 B9R0.79 N[C@H](C(=O)O)[C@H](O)C(=O)O Amb33714683 [0,1,0,0,1,0|0,0,0]=2 2367 B9R0.79 O=C(O)C(Br)C(Br)C(=O)O Amb2686761 [0,1,0,0,1,0|1,0,0]=3 2368 B9R0.79 O=C(O)C(Cl)C(Cl)C(=O)O Amb26345874 [0,1,0,0,1,0|1,0,0]=3 2369 B9R0.79 O=C(O)C(F)C(Cl)C(=O)O Amb27875188 [0,1,0,0,1,0|1,0,0]=3 2370 B9R0.79 O=C(O)C(O)C(Cl)C(=O)O Amb17594225 [0,1,0,0,1,0|1,0,0]=3 2371 B9R0.79 O=C(O)C(O)C(F)C(=O)O Amb24479232 [0,1,0,0,1,0|1,0,0]=3 2372 B9R0.79 O=C(O)C(O)C(O)C(=O)O Amb24668916 [0,1,0,0,1,0|1,0,0]=3 2373 B9R0.79 O=C(O)C(O)C(O)C(=O)O Amb6608787 [0,1,0,0,1,0|1,0,0]=3 2374 B9R0.79 O=C(O)C(O)C(O)C(=O)S Amb28050895 [0,1,0,0,1,0|1,1,0]=4 2375 B9R0.79 O=C(O)C(S)C(S)C(=O)O Amb8627761 [0,1,0,0,1,0|1,0,0]=3 2376 B9R0.79 O=C(O)[C@@H](Cl)[C@H](O)C(=O)O Amb27845392 [0,1,0,0,1,0|1,0,0]=3 2377 B9R0.79 O=C(O)[C@@H](O)[C@@H](O)C(=O)O Amb22230832 [0,1,0,0,1,0|1,0,0]=3 2378 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O Amb17616192 [0,1,0,0,1,0|1,0,0]=3 2379 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O Amb19884028 [0,1,0,0,1,0|1,0,0]=3 2380 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O Amb22750609 [0,1,0,0,1,0|1,0,0]=3 2381 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O Amb22756774 [0,1,0,0,1,0|1,0,0]=3 2382 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O Amb34915014 [0,1,0,0,1,0|1,0,0]=3 2383 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O Amb5722339 [0,1,0,0,1,0|1,0,0]=3 2384 B9R0.79 O=C(O)[C@@H](S)[C@H](S)C(=O)O Amb28195042 [0,1,0,0,1,0|1,0,0]=3 2385 B9R0.79 O=C(O)[C@H](Br)[C@H](F)C(=O)O Amb28050029 [0,1,0,0,1,0|1,0,0]=3 2386 B9R0.79 O=C(O)[C@H](F)[C@H](F)C(=O)O Amb28365940 [0,1,0,0,1,0|1,0,0]=3 2387 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O Amb19884026 [0,1,0,0,1,0|1,0,0]=3 2388 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O Amb20240604 [0,1,0,0,1,0|1,0,0]=3 2389 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O Amb20670711 [0,1,0,0,1,0|1,0,0]=3 2390 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O Amb34915016 [0,1,0,0,1,0|1,0,0]=3 2391 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O Amb8628435 [0,1,0,0,1,0|1,0,0]=3 2392 B9R0.79 O=C(O)[C@H](O)[C@H](Br)C(=O)O Amb28252354 [0,1,0,0,1,0|1,0,0]=3 2393 B9R0.79 O=C(O)[C@H](O)[C@H](Cl)C(=O)O Amb27477747 [0,1,0,0,1,0|1,0,0]=3 2394 B9R0.79 O=C(O)[C@H](S)[C@H](S)C(=O)O Amb8393135 [0,1,0,0,1,0|1,0,0]=3 2395 B9R0.79 O=C([O-])C(O)C(O)C(=O)O Amb20246422 [0,1,0,0,1,0|1,0,1]=4 2396 B9R0.79 O=C([O-])C(O)C(O)C(=O)O Amb8517447 [0,1,0,0,1,0|1,0,1]=4 2397 B9R0.79 O=C([O-])[C@H](O)[C@@H](O)C(=O)O Amb34915846 [0,1,0,0,1,0|1,0,1]=4 2398 B11R0.107 COC(=O)CCC(C)CC(C)=O Amb32667486 [0,1,0,0,0,1|2,0,0]=4 2399 B11R0.107 COC(=O)CC[C@@H](N)CC(=O)O Amb33621268 [0,1,0,0,0,1|0,0,0]=2 2400 B11R0.107 COC(=O)CC[C@@H](N)CC(=O)O Amb33744519 [0,1,0,0,0,1|0,0,0]=2 2401 B11R0.149 NC(CC(=O)O)C(N)CC(=O)O Amb24114097 [0,1,0,0,0,1|0,0,0]=2 2402 B11R0.173 CC(C(=O)O)N(C)CCC(=O)O Amb17561090 [0,1,0,0,0,1|2,0,0]=4 2403 B11R0.232 O=C(O)CCS(=O)(=O)CC(=O)O Amb17501260 [0,1,0,0,0,1|2,0,0]=4 2404 B11R0.109 CCC(=O)CCCC(N)C(=O)O Amb33036923 [0,1,0,0,0,1|1,0,0]=3 2405 B11R0.109 CCC(=O)CCCC(N)C(N)=O Amb33308786 [0,1,0,0,0,1|2,0,0]=4 2406 B11R0.109 CCC(=O)CCC[C@@H](N)C(=O)O Amb32864919 [0,1,0,0,0,1|1,0,0]=3 2407 B11R0.109 CCC(=O)CCC[C@H](N)C(=O)O Amb33309055 [0,1,0,0,0,1|1,0,0]=3 2408 B11R0.109 COC(=O)CCC[C@H](N)C(=O)O Amb13884888 [0,1,0,0,0,1|0,0,0]=2 2409 B11R0.109 COC(=O)CSCC(=O)C(=O)O Amb33069686 [0,1,0,0,0,1|1,0,1]=4 2410 B11R0.109 COC(=O)CSCC(N)C(=O)O Amb6273780 [0,1,0,0,0,1|0,0,0]=2 2411 B11R0.145 COC(=O)C(N)CCC=C(C)C Amb32940434 [0,1,0,0,0,1|2,0,0]=4 2412 B11R0.145 COC(=O)C(N)CCCC(C)=O Amb33065910 [0,1,0,0,0,1|1,0,0]=3 2413 B11R0.145 COC(=O)C(N)CCCC(C)O Amb33308532 [0,1,0,0,0,1|1,0,1]=4 2414 B11R0.145 COC(=O)C(N)CCSC(C)=O Amb32666268 [0,1,0,0,0,1|1,0,0]=3 2415 B11R0.145 COC(=O)C(N)CCSC(C)=O Amb32666269 [0,1,0,0,0,1|1,0,0]=3 2416 B11R0.145 COC(=O)N(C)CCCC(=O)O Amb33531921 [0,1,0,0,0,1|2,0,0]=4 2417 B11R0.145 COC(=O)[C@@H](N)CCSC(C)=O Amb32653054 [0,1,0,0,0,1|1,0,0]=3 2418 B11R0.145 COC(=O)[C@@H](N)CCSC(C)=O Amb32653055 [0,1,0,0,0,1|1,0,0]=3 2419 B11R0.150 C=C(CCC(=C)C(=O)O)C(=O)O Amb32663626 [0,1,0,0,0,1|1,0,1]=4 2420 B11R0.150 C=C(CCC(C)C(=O)O)C(=O)O Amb24065778 [0,1,0,0,0,1|1,0,0]=3 2421 B11R0.150 CC(C#CC(C)C(=O)O)C(=O)O Amb27858793 [0,1,0,0,0,1|1,0,1]=4 2422 B11R0.150 CC(C)=C(C)CCC(N)C(=O)O Amb33308686 [0,1,0,0,0,1|2,0,0]=4 2423 B11R0.150 CC(C)=C(C)CC[C@@H](N)C(=O)O Amb33066034 [0,1,0,0,0,1|2,0,0]=4 2424 B11R0.150 CC(C)=C(C)CC[C@H](N)C(=O)O Amb33309186 [0,1,0,0,0,1|2,0,0]=4 2425 B11R0.150 CC(SCC(=O)C(=O)O)C(=O)O Amb33069696 [0,1,0,0,0,1|1,0,1]=4 2426 B11R0.150 NC(CCC(N)C(=O)O)C(=O)O Amb10602546 [0,1,0,0,0,1|0,0,0]=2 2427 B11R0.150 O=C(O)C(=O)CSC(F)C(=O)O Amb33069693 [0,1,0,0,0,1|1,0,1]=4 2428 B11R0.150 O=C(O)C(Br)CCC(Br)C(=O)O Amb4036374 [0,1,0,0,0,1|1,0,0]=3 2429 B11R0.202 CC(C)(SCCC(=O)O)C(=O)O Amb17501236 [0,1,0,0,0,1|1,0,0]=3 2430 B11R0.202 NC(=O)CNCC(F)(F)C(=O)O Amb33170601 [0,1,0,0,0,1|2,0,0]=4 2431 B11R0.202 NC(=O)CSCC(F)(F)C(=O)O Amb33171151 [0,1,0,0,0,1|2,0,0]=4 2432 B11R0.273 CCC(NCCC(C)=O)C(=O)O Amb32675830 [0,1,0,0,0,1|2,0,0]=4 2433 B11R0.318 CS(=O)(=O)CCCC(N)C(=O)O Amb18189488 [0,1,0,0,0,1|1,0,1]=4 2434 B11R0.318 CS(=O)(=O)CCC[C@@H](N)C(=O)O Amb32789421 [0,1,0,0,0,1|1,0,1]=4 2435 B11R0.318 CS(=O)(=O)CCC[C@H](N)C(=O)O Amb33308913 [0,1,0,0,0,1|1,0,1]=4 2436 B11R0.318 NC(=O)C(N)CCCS(=O)(=O)O Amb33308757 [0,1,0,0,0,1|2,0,0]=4 2437 B11R0.318 NC(CCCP(=O)(O)O)C(=O)O Amb5722335 [0,1,0,0,0,1|1,0,0]=3 2438 B11R0.318 NC(CCCS(=O)(=O)O)C(=O)O Amb33066081 [0,1,0,0,0,1|1,0,0]=3 2439 B11R0.318 N[C@@H](CCCS(=O)(=O)O)C(=O)O Amb33066176 [0,1,0,0,0,1|1,0,0]=3 2440 B11R0.318 N[C@H](CCCS(=O)(=O)O)C(=O)O Amb33065642 [0,1,0,0,0,1|1,0,0]=3 2441 B11R0.129 CC(C)(CO)C(N)CCC(=O)O Amb33200366 [0,2,0,0,0,0|1,0,1]=4 2442 B11R0.52 CC(C)(C(=O)O)C(O)CC(=O)O Amb33548094 [0,2,0,0,0,0|1,0,0]=3 2443 B11R0.63 COC(=O)[C@@H](N)[C@@H](C)SC(C)=O Amb24117265 [0,2,0,0,0,0|2,0,0]=4 2444 B11R0.206 O=C(O)C(O)C(O)C(O)C(=O)O Amb533010 [0,2,0,0,0,0|1,0,0]=3 2445 B11R0.308 CC(OP(=O)(O)O)C(N)C(=O)O Amb9825506 [0,2,0,0,0,0|2,0,0]=4 2446 B11R0.308 CS(=O)(=O)CC(O)C(N)C(=O)O Amb33055770 [0,2,0,0,0,0|1,0,1]=4 2447 B11R0.335 CC(C(=O)O)S(=O)(=O)CC(=O)O Amb17501652 [0,2,0,0,0,0|2,0,0]=4 2448 B11R0.169 C=C(CC(F)(F)C(=O)O)C(=O)O Amb28989465 [0,2,0,0,0,0|1,0,1]=4 2449 B11R0.169 CC(SC(C)(C)C(=O)O)C(=O)O Amb17501629 [0,2,0,0,0,0|2,0,0]=4 2450 B11R0.169 NC(=O)C(F)(F)CC(N)C(=O)O Amb33309520 [0,2,0,0,0,0|1,0,0]=3 2451 B11R0.169 NC(CC(F)(F)C(=O)O)C(=O)O Amb16185493 [0,2,0,0,0,0|0,0,0]=2 2452 B11R0.169 N[C@@H](CC(F)(F)C(=O)O)C(=O)O Amb19375300 [0,2,0,0,0,0|0,0,0]=2 2453 B11R0.201 COC(=O)CCC(C)(C)C(=O)O Amb18127171 [0,2,0,0,0,0|1,0,0]=3 2454 B11R0.288 COC(=O)C(C)(C)CCC(=O)O Amb9677880 [0,2,0,0,0,0|1,0,0]=3 2455 B11R0.59 C=C(C)CCC(N)C(=O)OCC Amb33065872 [0,2,0,0,0,0|2,0,0]=4 2456 B11R0.59 CCOC(=O)C(N)CCC(C)=O Amb32864915 [0,2,0,0,0,0|1,0,0]=3 2457 B11R0.59 CCOC(=O)C(N)CCC(C)O Amb33036585 [0,2,0,0,0,0|1,0,1]=4 2458 B11R0.59 CCOC(=O)C(N)CCS(C)=O Amb33066328 [0,2,0,0,0,0|2,0,0]=4 2459 B11R0.59 CCOC(=O)C(N)COC(C)=O Amb33802355 [0,2,0,0,0,0|2,0,0]=4 2460 B11R0.59 CCOC(=O)[C@@H](N)CCS(C)=O Amb33802361 [0,2,0,0,0,0|2,0,0]=4 2461 B11R0.59 CCOC(C)C(N)CCC(=O)O Amb33425725 [0,2,0,0,0,0|1,0,1]=4 2462 B11R0.117 CCC(=O)C(C)CC(C)C(=O)O Amb32759401 [0,2,0,0,0,0|2,0,0]=4 2463 B11R0.117 COC(=O)C(C)CC(C)C(=O)O Amb18647808 [0,2,0,0,0,0|1,0,0]=3 2464 B11R0.120 COC(=O)CCC(=O)C(=O)OC Amb9871397 [0,2,0,0,0,0|1,0,1]=4 2465 B11R0.120 COC(=O)CCC(Br)C(=O)OC Amb22500129 [0,2,0,0,0,0|1,0,0]=3 2466 B11R0.120 COC(=O)CCC(N)C(=O)OC Amb32666097 [0,2,0,0,0,0|0,0,0]=2 2467 B11R0.120 COC(=O)CCC(N)C(=O)OC Amb6366233 [0,2,0,0,0,0|0,0,0]=2 2468 B11R0.120 COC(=O)CCC(N)C(=O)OC Amb6458826 [0,2,0,0,0,0|0,0,0]=2 2469 B11R0.120 COC(=O)CC[C@@H](N)C(=O)OC Amb16183941 [0,2,0,0,0,0|0,0,0]=2 2470 B11R0.120 COC(=O)CC[C@@H](N)C(=O)OC Amb22230568 [0,2,0,0,0,0|0,0,0]=2 2471 B11R0.120 COC(=O)CC[C@@H](O)C(=O)OC Amb33620357 [0,2,0,0,0,0|1,0,0]=3 2472 B11R0.120 COC(=O)CC[C@H](N)C(=O)OC Amb13884889 [0,2,0,0,0,0|0,0,0]=2 2473 B11R0.120 COC(=O)CC[C@H](N)C(=O)OC Amb3940075 [0,2,0,0,0,0|0,0,0]=2 2474 B11R0.120 COC(=O)CC[C@H](N)C(=O)OC Amb8390403 [0,2,0,0,0,0|0,0,0]=2 2475 B11R0.120 COC(=O)CC[C@H](O)C(=O)OC Amb33620358 [0,2,0,0,0,0|1,0,0]=3 2476 B11R0.120 O=C(CCC(O)C(=O)O[Na])O[Na] Amb22371817 [0,2,0,0,0,0|1,0,0]=3 2477 B11R0.171 CCC(OC)C(N)CCC(=O)O Amb33320165 [0,2,0,0,0,0|1,0,1]=4 2478 B11R0.171 COC(OC)C(N)CCC(=O)O Amb33342014 [0,2,0,0,0,0|0,0,2]=4 2479 B11R0.290 COC(=O)C(N)CCC(C)(C)O Amb33065678 [0,2,0,0,0,0|1,0,1]=4 2480 B11R0.290 COC(=O)C(N)CCS(C)(=O)=O Amb32620340 [0,2,0,0,0,0|1,0,1]=4 2481 B11R0.290 COC(=O)C(N)CCS(C)(=O)=O Amb9206205 [0,2,0,0,0,0|1,0,1]=4 2482 B11R0.290 COC(=O)C(N)CCS(N)(=O)=O Amb30585017 [0,2,0,0,0,0|1,0,1]=4 2483 B11R0.290 COC(=O)C(N)CCS(N)(=O)=O Amb32988154 [0,2,0,0,0,0|1,0,1]=4 2484 B11R0.290 COC(=O)[C@@H](N)CCS(C)(=O)=O Amb33804694 [0,2,0,0,0,0|1,0,1]=4 2485 B11R0.290 COC(=O)[C@@H](N)CCS(N)(=O)=O Amb32988138 [0,2,0,0,0,0|1,0,1]=4 2486 B11R0.290 COC(=O)[C@H](N)CCS(N)(=O)=O Amb32988145 [0,2,0,0,0,0|1,0,1]=4 2487 B11R0.141 CCNC(=O)CC[C@@H](N)C(=O)O Amb19134042 [0,2,0,0,0,0|1,0,0]=3 2488 B11R0.141 CCNC(=O)CC[C@H](N)C(=O)O Amb8390594 [0,2,0,0,0,0|1,0,0]=3 2489 B11R0.141 CCOC(=O)CCC(Br)C(=O)O Amb32941131 [0,2,0,0,0,0|1,0,0]=3 2490 B11R0.141 CCOC(=O)CCC(Cl)C(=O)O Amb32680769 [0,2,0,0,0,0|1,0,0]=3 2491 B11R0.141 CCOC(=O)CCC(N)C(=O)O Amb6740305 [0,2,0,0,0,0|0,0,0]=2 2492 B11R0.141 CCOC(=O)CCC(O)C(=O)O Amb32941118 [0,2,0,0,0,0|1,0,0]=3 2493 B11R0.141 CCOC(=O)CC[C@@H](N)C(=O)O Amb22745269 [0,2,0,0,0,0|0,0,0]=2 2494 B11R0.141 CCOC(=O)CC[C@H](N)C(=O)O Amb8385328 [0,2,0,0,0,0|0,0,0]=2 2495 B11R0.141 [N-]=[N+]=CC(=O)CC[C@H](N)C(=O)O Amb16183956 [0,2,0,0,0,0|1,0,0]=3 2496 B11R0.302 CCS(=O)(=O)CCC(N)C(=O)O Amb4018747 [0,2,0,0,0,0|1,0,1]=4 2497 B11R0.302 CCS(=O)(=O)CC[C@@H](N)C(=O)O Amb32789514 [0,2,0,0,0,0|1,0,1]=4 2498 B11R0.302 CCS(=O)(=O)CC[C@H](N)C(=O)O Amb32788585 [0,2,0,0,0,0|1,0,1]=4 2499 B11R0.302 COC(C)(C)CCC(N)C(=O)O Amb33036609 [0,2,0,0,0,0|1,0,1]=4 2500 B11R0.302 COC(C)(C)CC[C@@H](N)C(=O)O Amb33065527 [0,2,0,0,0,0|1,0,1]=4 2501 B11R0.302 COC(C)(C)CC[C@H](N)C(=O)O Amb33066246 [0,2,0,0,0,0|1,0,1]=4 2502 B11R0.28 CC(=O)CCC(C(=O)O)C(C)C Amb533059 [0,2,0,0,0,0|2,0,0]=4 2503 B11R0.28 CC(N)C(CCC(=O)O)C(=O)O Amb32674919 [0,2,0,0,0,0|0,0,0]=2 2504 B11R0.28 CC(N)C(CCC(=O)O)C(=O)O Amb32674947 [0,2,0,0,0,0|0,0,0]=2 2505 B11R0.146 C=C(C)CCC(NC=O)C(=O)O Amb33036842 [0,2,0,0,0,0|2,0,0]=4 2506 B11R0.146 CC(=O)CCC(NC=O)C(=O)O Amb33309217 [0,2,0,0,0,0|1,0,0]=3 2507 B11R0.146 CC(O)CCC(NC=O)C(=O)O Amb33308944 [0,2,0,0,0,0|1,0,1]=4 2508 B11R0.146 CCCC(CCC(C)=O)C(=O)O Amb533087 [0,2,0,0,0,0|2,0,0]=4 2509 B11R0.146 CCN[C@@H](CCC(N)=O)C(=O)O Amb16232996 [0,2,0,0,0,0|1,0,0]=3 2510 B11R0.146 CS(=O)CCC(NC=O)C(=O)O Amb33065731 [0,2,0,0,0,0|2,0,0]=4 2511 B11R0.146 O=CN\C(=C\CC(=O)O)C(=O)O Amb27592158 [0,2,0,0,0,0|0,0,2]=4 2512 B11R0.275 CCC(CC(N)C(=O)O)C(=O)O Amb4006858 [0,2,0,0,0,0|0,0,0]=2 2513 B11R0.275 CCC(SC(C)C(=O)O)C(=O)O Amb17501326 [0,2,0,0,0,0|2,0,0]=4 2514 B9R1.6 CC(=O)C1CCC=CN1 Amb25094747 [1,0,0,1,0,0|2,0,0]=4 2515 B9R1.6 O=C(O)C1CC=CCC1 Amb2695197 [1,0,0,1,0,0|2,0,0]=4 2516 B9R1.6 O=C(O)C1CC=CCN1 Amb2698158 [1,0,0,1,0,0|1,0,1]=4 2517 B9R1.6 O=C(O)C1CCCCN1 Amb6754083 [1,0,0,1,0,0|1,0,1]=4 2518 B9R1.6 O=C(O)C1CCCCN1 Amb9703161 [1,0,0,1,0,0|1,0,1]=4 2519 B9R1.6 O=C(O)C1CCCOC1 Amb1102367 [1,0,0,1,0,0|1,0,1]=4 2520 B9R1.6 O=C(O)C1CCOCN1 Amb28042897 [1,0,0,1,0,0|2,0,0]=4 2521 B9R1.6 O=C(O)C1CCSCN1 Amb1102215 [1,0,0,1,0,0|2,0,0]=4 2522 B9R1.6 O=C(O)C1CCSCN1 Amb22284134 [1,0,0,1,0,0|2,0,0]=4 2523 B9R1.6 O=C(O)[C@@H]1CC=CCC1 Amb19131346 [1,0,0,1,0,0|2,0,0]=4 2524 B9R1.6 O=C(O)[C@@H]1CCC=CN1 Amb19888332 [1,0,0,1,0,0|1,0,0]=3 2525 B9R1.6 O=C(O)[C@@H]1CCC=NN1 Amb27468483 [1,0,0,1,0,0|1,0,0]=3 2526 B9R1.6 O=C(O)[C@@H]1CCCCN1 Amb2690345 [1,0,0,1,0,0|1,0,1]=4 2527 B9R1.6 O=C(O)[C@@H]1CCCCN1 Amb8384272 [1,0,0,1,0,0|1,0,1]=4 2528 B9R1.6 O=C(O)[C@@H]1CCCNN1 Amb30666630 [1,0,0,1,0,0|1,0,1]=4 2529 B9R1.6 O=C(O)[C@@H]1CCCOC1 Amb26885613 [1,0,0,1,0,0|1,0,1]=4 2530 B9R1.6 O=C(O)[C@H]1CC=CCC1 Amb17611453 [1,0,0,1,0,0|2,0,0]=4 2531 B9R1.6 O=C(O)[C@H]1CCC=CO1 Amb28070479 [1,0,0,1,0,0|2,0,0]=4 2532 B9R1.6 O=C(O)[C@H]1CCC=NN1 Amb27596226 [1,0,0,1,0,0|1,0,0]=3 2533 B9R1.6 O=C(O)[C@H]1CCCCN1 Amb2700060 [1,0,0,1,0,0|1,0,1]=4 2534 B9R1.6 O=C(O)[C@H]1CCCCN1 Amb8515100 [1,0,0,1,0,0|1,0,1]=4 2535 B9R1.6 O=C(O)[C@H]1CCCNN1 Amb27154761 [1,0,0,1,0,0|1,0,1]=4 2536 B9R1.6 O=C(O)[C@H]1CCSCN1 Amb25773953 [1,0,0,1,0,0|2,0,0]=4 2537 B9R1.23 C=C[C@@H]1C[C@H](O)C(=O)O1 Amb27853704 [1,0,0,1,0,0|2,0,0]=4 2538 B9R1.23 C=C[C@H]1C[C@@H](O)C(=O)O1 Amb27852773 [1,0,0,1,0,0|2,0,0]=4 2539 B9R1.23 CC1CC(C=O)OC1=O Amb28253804 [1,0,0,1,0,0|1,0,0]=3 2540 B9R1.23 CCC1CC(N)C(=O)O1 Amb27647519 [1,0,0,1,0,0|1,0,1]=4 2541 B9R1.23 C[C@H]1C[C@@H](CO)OC1=O Amb28429767 [1,0,0,1,0,0|1,0,1]=4 2542 B9R1.23 NC1CC(CO)OC1=O Amb18642829 [1,0,0,1,0,0|0,0,1]=3 2543 B9R1.23 NC[C@@H]1C[C@H](N)C(=O)O1 Amb27851651 [1,0,0,1,0,0|1,0,1]=4 2544 B9R1.23 N[C@H]1C[C@@H](CO)OC1=O Amb28059280 [1,0,0,1,0,0|0,0,1]=3 2545 B9R1.23 N[C@H]1C[C@H](CBr)OC1=O Amb27233512 [1,0,0,1,0,0|1,0,1]=4 2546 B9R1.23 O=C1O[C@@H](CO)C[C@@H]1O Amb27783829 [1,0,0,1,0,0|1,0,1]=4 2547 B9R1.23 O=CC1CC(O)C(=O)O1 Amb27838700 [1,0,0,1,0,0|1,0,0]=3 2548 B9R1.35 C=C(C)C1CCC(=O)N1 Amb27196085 [1,0,0,1,0,0|2,0,0]=4 2549 B9R1.35 C=C1CCC(C(=O)O)C1 Amb28369274 [1,0,0,1,0,0|2,0,0]=4 2550 B9R1.35 CC(=O)C1CCC(=O)C1 Amb24423910 [1,0,0,1,0,0|2,0,0]=4 2551 B9R1.35 CC(=O)C1CCC(=O)O1 Amb3428694 [1,0,0,1,0,0|2,0,0]=4 2552 B9R1.35 CC(=O)N1CCC(=O)N1 Amb32721860 [1,0,0,1,0,0|2,0,0]=4 2553 B9R1.35 CC(=O)[C@@H]1CCC(=O)C1 Amb24407171 [1,0,0,1,0,0|2,0,0]=4 2554 B9R1.35 CC(=O)[C@@H]1CCC(=O)N1 Amb27167616 [1,0,0,1,0,0|1,0,0]=3 2555 B9R1.35 CC(=O)[C@@H]1CCC(=O)O1 Amb24182046 [1,0,0,1,0,0|2,0,0]=4 2556 B9R1.35 CC(=O)[C@H]1CCC(=O)C1 Amb26590768 [1,0,0,1,0,0|2,0,0]=4 2557 B9R1.35 CC(=O)[C@H]1CCC(=O)N1 Amb27877407 [1,0,0,1,0,0|1,0,0]=3 2558 B9R1.35 CC1=NC(C(=O)O)CC1 Amb23438203 [1,0,0,1,0,0|1,0,1]=4 2559 B9R1.35 CC1=NC(C(=O)O)CC1 Amb32409643 [1,0,0,1,0,0|1,0,1]=4 2560 B9R1.35 CC1=NCC(C(=O)O)N1 Amb24599993 [1,0,0,1,0,0|2,0,0]=4 2561 B9R1.35 CC1=NC[C@H](C(=O)O)N1 Amb27827434 [1,0,0,1,0,0|2,0,0]=4 2562 B9R1.35 CC1=N[C@H](C(=O)O)CC1 Amb27455557 [1,0,0,1,0,0|1,0,1]=4 2563 B9R1.35 CC1CCC(C(=O)O)N1 Amb18832572 [1,0,0,1,0,0|1,0,1]=4 2564 B9R1.35 CC1CCC(C(=O)O)N1 Amb32652343 [1,0,0,1,0,0|1,0,1]=4 2565 B9R1.35 CC1CC[C@H](C(=O)O)N1 Amb22748252 [1,0,0,1,0,0|1,0,1]=4 2566 B9R1.35 C[C@@H]1CC[C@@H](C(=O)O)N1 Amb31308105 [1,0,0,1,0,0|1,0,1]=4 2567 B9R1.35 C[C@@H]1CC[C@H](C(=O)O)N1 Amb24399449 [1,0,0,1,0,0|1,0,1]=4 2568 B9R1.35 C[C@@H]1CC[C@H](C(=O)O)N1 Amb32652487 [1,0,0,1,0,0|1,0,1]=4 2569 B9R1.35 C[C@H]1CC[C@@H](C(=O)O)N1 Amb24598417 [1,0,0,1,0,0|1,0,1]=4 2570 B9R1.35 C[C@H]1CC[C@@H](C(=O)O)N1 Amb35745779 [1,0,0,1,0,0|1,0,1]=4 2571 B9R1.35 C[C@H]1CC[C@H](C(=O)O)N1 Amb33871500 [1,0,0,1,0,0|1,0,1]=4 2572 B9R1.35 N=C(N)C1CCC(=O)N1 Amb27876132 [1,0,0,1,0,0|2,0,0]=4 2573 B9R1.35 N=C(N)[C@@H]1CCC(=O)N1 Amb27817704 [1,0,0,1,0,0|2,0,0]=4 2574 B9R1.35 N=C(N)[C@H]1CCC(=O)N1 Amb27461020 [1,0,0,1,0,0|2,0,0]=4 2575 B9R1.35 NC(=O)C1CCC(=O)N1 Amb17142856 [1,0,0,1,0,0|1,0,0]=3 2576 B9R1.35 NC(=O)C1CCC(=O)O1 Amb24466803 [1,0,0,1,0,0|2,0,0]=4 2577 B9R1.35 NC(=O)C1CSC(=O)N1 Amb27595631 [1,0,0,1,0,0|2,0,0]=4 2578 B9R1.35 NC(=O)[C@@H]1CCC(=O)N1 Amb4018786 [1,0,0,1,0,0|1,0,0]=3 2579 B9R1.35 NC(=O)[C@@H]1CCC(=O)O1 Amb25146823 [1,0,0,1,0,0|2,0,0]=4 2580 B9R1.35 NC(=O)[C@H]1CCC(=O)N1 Amb27961076 [1,0,0,1,0,0|1,0,0]=3 2581 B9R1.35 NC(=O)[C@H]1CCC(=O)O1 Amb26909560 [1,0,0,1,0,0|2,0,0]=4 2582 B9R1.35 NC1=NC(C(=O)O)CC1 Amb32718833 [1,0,0,1,0,0|1,0,1]=4 2583 B9R1.35 NC1=N[C@@H](C(=O)O)CC1 Amb27202599 [1,0,0,1,0,0|1,0,1]=4 2584 B9R1.35 O=C(O)C1CCC(O)C1 Amb21963572 [1,0,0,1,0,0|1,0,1]=4 2585 B9R1.35 O=C(O)C1CSC(=S)N1 Amb7089160 [1,0,0,1,0,0|1,1,0]=4 2586 B9R1.35 O=C(O)C1NC(O)CS1 Amb26536906 [1,0,0,1,0,0|1,0,1]=4 2587 B9R1.35 O=C(O)[C@@H]1CCC(=S)N1 Amb26857015 [1,0,0,1,0,0|0,1,0]=3 2588 B9R1.35 O=C(O)[C@@H]1CC[C@@H](O)C1 Amb22746558 [1,0,0,1,0,0|1,0,1]=4 2589 B9R1.35 O=C(O)[C@@H]1CC[C@H](O)C1 Amb27784295 [1,0,0,1,0,0|1,0,1]=4 2590 B9R1.35 O=C(O)[C@@H]1CSC(=S)N1 Amb9809722 [1,0,0,1,0,0|1,1,0]=4 2591 B9R1.35 O=C(O)[C@H]1CC[C@H](O)C1 Amb26960428 [1,0,0,1,0,0|1,0,1]=4 2592 B9R1.35 O=C(O)[C@H]1CC[C@H](O)N1 Amb27421972 [1,0,0,1,0,0|0,0,1]=3 2593 B9R1.35 O=C1C=C(C(=O)O)CC1 Amb13883804 [1,0,0,1,0,0|1,0,1]=4 2594 B9R1.35 O=C1C=CC(C(=O)O)N1 Amb27775192 [1,0,0,1,0,0|0,0,2]=4 2595 B9R1.35 O=C1CC(C(=O)O)CN1 Amb33545000 [1,0,0,1,0,0|2,0,0]=4 2596 B9R1.35 O=C1CC(C(=O)O)CO1 Amb22642307 [1,0,0,1,0,0|2,0,0]=4 2597 B9R1.35 O=C1CC(C(=O)O)CS1 Amb10073724 [1,0,0,1,0,0|2,0,0]=4 2598 B9R1.35 O=C1CCC(C(=O)Cl)C1 Amb25282784 [1,0,0,1,0,0|2,0,0]=4 2599 B9R1.35 O=C1CCC(C(=O)Cl)N1 Amb17142869 [1,0,0,1,0,0|1,0,0]=3 2600 B9R1.35 O=C1CCC(C(=O)Cl)O1 Amb24648754 [1,0,0,1,0,0|2,0,0]=4 2601 B9R1.35 O=C1CCC(C(=O)O)C1 Amb2695400 [1,0,0,1,0,0|1,0,0]=3 2602 B9R1.35 O=C1CCC(C(=O)O)N1 Amb9703102 [1,0,0,1,0,0|0,0,0]=2 2603 B9R1.35 O=C1CCC(C(=O)O)O1 Amb20623076 [1,0,0,1,0,0|1,0,0]=3 2604 B9R1.35 O=C1CCC(C(=O)O)S1 Amb23439315 [1,0,0,1,0,0|1,0,0]=3 2605 B9R1.35 O=C1CCC(C(=O)[O-])N1 Amb8514777 [1,0,0,1,0,0|0,0,1]=3 2606 B9R1.35 O=C1CC[C@@H](C(=O)Cl)O1 Amb22388653 [1,0,0,1,0,0|2,0,0]=4 2607 B9R1.35 O=C1CC[C@@H](C(=O)O)C1 Amb27254141 [1,0,0,1,0,0|1,0,0]=3 2608 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 Amb1995036 [1,0,0,1,0,0|0,0,0]=2 2609 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 Amb24099403 [1,0,0,1,0,0|0,0,0]=2 2610 B9R1.35 O=C1CC[C@@H](C(=O)O)O1 Amb2722887 [1,0,0,1,0,0|1,0,0]=3 2611 B9R1.35 O=C1CC[C@@H](C(=O)[O-])N1 Amb8395173 [1,0,0,1,0,0|0,0,1]=3 2612 B9R1.35 O=C1CC[C@H](C(=O)Cl)O1 Amb22747149 [1,0,0,1,0,0|2,0,0]=4 2613 B9R1.35 O=C1CC[C@H](C(=O)O)C1 Amb22746923 [1,0,0,1,0,0|1,0,0]=3 2614 B9R1.35 O=C1CC[C@H](C(=O)O)N1 Amb2694994 [1,0,0,1,0,0|0,0,0]=2 2615 B9R1.35 O=C1CC[C@H](C(=O)O)O1 Amb2720513 [1,0,0,1,0,0|1,0,0]=3 2616 B9R1.35 O=C1CN=C(C(=O)O)N1 Amb24387402 [1,0,0,1,0,0|1,0,1]=4 2617 B9R1.35 O=C1CNC(C(=O)O)C1 Amb30625211 [1,0,0,1,0,0|2,0,0]=4 2618 B9R1.35 O=C1CNC(C(=O)O)C1 Amb8386094 [1,0,0,1,0,0|2,0,0]=4 2619 B9R1.35 O=C1CN[C@H](C(=O)O)C1 Amb22747440 [1,0,0,1,0,0|2,0,0]=4 2620 B9R1.35 O=C1CN[C@H](C(=O)O)C1 Amb8628977 [1,0,0,1,0,0|2,0,0]=4 2621 B9R1.35 O=C1COC(C(=O)O)C1 Amb32651713 [1,0,0,1,0,0|2,0,0]=4 2622 B9R1.35 O=C1CSC(C(=O)O)C1 Amb24061425 [1,0,0,1,0,0|2,0,0]=4 2623 B9R1.35 O=C1CSC(C(=O)O)O1 Amb25063335 [1,0,0,1,0,0|2,0,0]=4 2624 B9R1.35 O=C1C[C@@H](C(=O)O)CN1 Amb23439643 [1,0,0,1,0,0|2,0,0]=4 2625 B9R1.35 O=C1C[C@@H](C(=O)O)CO1 Amb27253217 [1,0,0,1,0,0|2,0,0]=4 2626 B9R1.35 O=C1C[C@H](C(=O)O)CN1 Amb25946886 [1,0,0,1,0,0|2,0,0]=4 2627 B9R1.35 O=C1NC(C(=O)Cl)CO1 Amb27484689 [1,0,0,1,0,0|2,0,0]=4 2628 B9R1.35 O=C1NC(C(=O)Cl)CS1 Amb28040993 [1,0,0,1,0,0|2,0,0]=4 2629 B9R1.35 O=C1NC(C(=O)O)CO1 Amb15701690 [1,0,0,1,0,0|1,0,0]=3 2630 B9R1.35 O=C1NC(C(=O)O)CS1 Amb3319393 [1,0,0,1,0,0|1,0,0]=3 2631 B9R1.35 O=C1NCC(C(=O)O)N1 Amb2780032 [1,0,0,1,0,0|1,0,0]=3 2632 B9R1.35 O=C1NCC(C(=O)O)O1 Amb24112958 [1,0,0,1,0,0|2,0,0]=4 2633 B9R1.35 O=C1NCC(C(=O)O)S1 Amb24084914 [1,0,0,1,0,0|2,0,0]=4 2634 B9R1.35 O=C1NC[C@@H](C(=O)O)N1 Amb3997304 [1,0,0,1,0,0|1,0,0]=3 2635 B9R1.35 O=C1NC[C@@H](C(=O)O)O1 Amb25146207 [1,0,0,1,0,0|2,0,0]=4 2636 B9R1.35 O=C1NC[C@H](C(=O)O)N1 Amb24079612 [1,0,0,1,0,0|1,0,0]=3 2637 B9R1.35 O=C1NC[C@H](C(=O)O)O1 Amb27771494 [1,0,0,1,0,0|2,0,0]=4 2638 B9R1.35 O=C1N[C@@H](C(=O)O)CO1 Amb24340149 [1,0,0,1,0,0|1,0,0]=3 2639 B9R1.35 O=C1N[C@@H](C(=O)O)CS1 Amb537246 [1,0,0,1,0,0|1,0,0]=3 2640 B9R1.35 O=C1N[C@H](C(=O)O)CO1 Amb19517080 [1,0,0,1,0,0|1,0,0]=3 2641 B9R1.35 O=C1N[C@H](C(=O)O)CS1 Amb1157856 [1,0,0,1,0,0|1,0,0]=3 2642 B9R1.35 O=C1OCC(C(=O)O)O1 Amb25767974 [1,0,0,1,0,0|2,0,0]=4 2643 B9R1.35 O=C1SCC(C(=O)O)S1 Amb23504458 [1,0,0,1,0,0|2,0,0]=4 2644 B9R1.45 C=C1CC1C(N)C(=O)O Amb24117258 [1,0,0,1,0,0|1,0,0]=3 2645 B9R1.45 C=C1CC1C(N)C(=O)O Amb27489118 [1,0,0,1,0,0|1,0,0]=3 2646 B9R1.45 C=C1CC1C(O)C(=O)O Amb27816361 [1,0,0,1,0,0|2,0,0]=4 2647 B9R1.45 C=C1C[C@@H]1C(O)C(=O)O Amb28410295 [1,0,0,1,0,0|2,0,0]=4 2648 B9R1.45 C=C1C[C@@H]1[C@H](N)C(=O)O Amb28349320 [1,0,0,1,0,0|1,0,0]=3 2649 B9R1.45 CC1CC1C(N)C(=O)O Amb33359576 [1,0,0,1,0,0|1,0,1]=4 2650 B9R1.59 CC(=O)C1CC1CC=O Amb28058511 [1,0,0,1,0,0|2,0,0]=4 2651 B9R1.59 CC(=O)[C@@H]1C[C@@H]1CC=O Amb27229169 [1,0,0,1,0,0|2,0,0]=4 2652 B9R1.69 CC1CCC(=O)C=C1O Amb26053264 [1,0,0,1,0,0|2,0,0]=4 2653 B9R1.69 CC1CCC(=O)CC1=O Amb24053090 [1,0,0,1,0,0|2,0,0]=4 2654 B9R1.69 CC1CCC(=O)NC1=O Amb21963732 [1,0,0,1,0,0|2,0,0]=4 2655 B9R1.69 CC1CCC(=O)OC1=O Amb24117247 [1,0,0,1,0,0|1,0,0]=3 2656 B9R1.69 CC1CCC(O)=CC1=O Amb24532888 [1,0,0,1,0,0|2,0,0]=4 2657 B9R1.69 CC1SCC(=O)OC1=O Amb2431035 [1,0,0,1,0,0|2,0,0]=4 2658 B9R1.69 NC1CCC(=O)NC1=O Amb16233835 [1,0,0,1,0,0|1,0,0]=3 2659 B9R1.69 NC1CCC(=O)NC1=O Amb20620338 [1,0,0,1,0,0|1,0,0]=3 2660 B9R1.69 NC1CCC(=O)NC1=O Amb22640986 [1,0,0,1,0,0|1,0,0]=3 2661 B9R1.69 NC1CCC(=O)NC1=O Amb30982658 [1,0,0,1,0,0|1,0,0]=3 2662 B9R1.69 NC1CCC(=O)OC1=O Amb27838431 [1,0,0,1,0,0|0,0,0]=2 2663 B9R1.69 NC1CNC(=O)NC1=O Amb28429840 [1,0,0,1,0,0|2,0,0]=4 2664 B9R1.69 N[C@@H]1CCC(=O)NC1=O Amb18536900 [1,0,0,1,0,0|1,0,0]=3 2665 B9R1.69 N[C@@H]1CCC(=O)NC1=O Amb31291118 [1,0,0,1,0,0|1,0,0]=3 2666 B9R1.69 N[C@H]1CCC(O)NC1=O Amb26317903 [1,0,0,1,0,0|1,0,1]=4 2667 B9R1.69 O=C1CCC(Br)C(=O)N1 Amb22735973 [1,0,0,1,0,0|2,0,0]=4 2668 B9R1.69 O=C1CCC(Br)C(=O)O1 Amb25680134 [1,0,0,1,0,0|1,0,0]=3 2669 B9R1.69 O=C1CCC(O)C(=O)C1 Amb27409551 [1,0,0,1,0,0|2,0,0]=4 2670 B9R1.69 O=C1CC[C@H](O)C(=O)N1 Amb27954578 [1,0,0,1,0,0|2,0,0]=4 2671 B9R1.93 C#CC1CC1(N)C(=O)O Amb23456002 [1,0,0,1,0,0|1,0,1]=4 2672 B9R1.93 C=CC1CC1(N)C(=O)O Amb10068409 [1,0,0,1,0,0|1,0,0]=3 2673 B9R1.93 C=CC1CC1(N)[PH](=O)O Amb27970647 [1,0,0,1,0,0|2,0,0]=4 2674 B9R1.93 C=C[C@@H]1C[C@@]1(N)C(=O)O Amb26958678 [1,0,0,1,0,0|1,0,0]=3 2675 B9R1.93 C=C[C@@H]1C[C@]1(N)[PH](=O)O Amb27421893 [1,0,0,1,0,0|2,0,0]=4 2676 B9R1.93 C=C[C@H]1C[C@@]1(N)C(=O)O Amb27221097 [1,0,0,1,0,0|1,0,0]=3 2677 B9R1.93 C=C[C@H]1C[C@]1(N)C(=O)O Amb25105090 [1,0,0,1,0,0|1,0,0]=3 2678 B9R1.93 CC1(C(=O)O)CC1CO Amb24559345 [1,0,0,1,0,0|1,0,1]=4 2679 B9R1.93 CCC1CC1(N)C(=O)O Amb24655862 [1,0,0,1,0,0|1,0,1]=4 2680 B9R1.93 CC[C@@H]1CC1(N)C(=O)O Amb25104706 [1,0,0,1,0,0|1,0,1]=4 2681 B9R1.93 CC[C@@H]1C[C@@]1(N)C(=O)O Amb23452849 [1,0,0,1,0,0|1,0,1]=4 2682 B9R1.93 CC[C@H]1CC1(N)C(=O)O Amb26556180 [1,0,0,1,0,0|1,0,1]=4 2683 B9R1.93 CC[C@H]1C[C@]1(N)C(=O)O Amb27961471 [1,0,0,1,0,0|1,0,1]=4 2684 B9R1.93 C[C@@]1(C(=O)O)C[C@@H]1CO Amb33098403 [1,0,0,1,0,0|1,0,1]=4 2685 B9R1.93 C[C@@]1(C(=O)O)C[C@H]1CO Amb33098404 [1,0,0,1,0,0|1,0,1]=4 2686 B9R1.93 C[C@]1(C(=O)O)C[C@@H]1CO Amb33098423 [1,0,0,1,0,0|1,0,1]=4 2687 B9R1.93 NC1(C(=O)O)CC1CO Amb25828351 [1,0,0,1,0,0|0,0,1]=3 2688 B9R1.93 NCC1CC1(N)C(=O)O Amb27873291 [1,0,0,1,0,0|1,0,1]=4 2689 B9R1.93 NC[C@@H]1C[C@@]1(N)C(=O)O Amb24763621 [1,0,0,1,0,0|1,0,1]=4 2690 B9R1.93 N[C@@]1(C(=O)O)C[C@H]1CO Amb26405303 [1,0,0,1,0,0|0,0,1]=3 2691 B9R1.93 N[C@]1(C(=O)O)C[C@@H]1CO Amb2694928 [1,0,0,1,0,0|0,0,1]=3 2692 B9R1.93 N[C@]1(C(=O)O)C[C@H]1CO Amb25101898 [1,0,0,1,0,0|0,0,1]=3 2693 B9R1.95 CC(=O)C1CC(C=O)C1 Amb32669290 [1,0,0,1,0,0|2,0,0]=4 2694 B9R1.95 O=C(O)C1CC(CO)C1 Amb22002175 [1,0,0,1,0,0|1,0,1]=4 2695 B9R1.95 O=C(O)[C@H]1C[C@H](CO)C1 Amb34162163 [1,0,0,1,0,0|1,0,1]=4 2696 B9R1.95 O=C[C@H]1C[C@@H](C(=O)O)C1 Amb33309677 [1,0,0,1,0,0|1,0,0]=3 2697 B9R1.110 CC(C(=O)O)C1CCO1 Amb26595674 [1,0,0,1,0,0|1,0,1]=4 2698 B9R1.110 NC(C(=O)O)C1CCC1 Amb19149365 [1,0,0,1,0,0|1,0,1]=4 2699 B9R1.110 NC(C(=O)O)C1CNC1 Amb30040080 [1,0,0,1,0,0|2,0,0]=4 2700 B9R1.110 NC(C(=O)O)C1COC1 Amb22405987 [1,0,0,1,0,0|2,0,0]=4 2701 B9R1.110 NC(C(=O)O)C1CSC1 Amb27844776 [1,0,0,1,0,0|2,0,0]=4 2702 B9R1.110 N[C@@H](C(=O)O)C1CCC1 Amb8395977 [1,0,0,1,0,0|1,0,1]=4 2703 B9R1.110 N[C@@H](C(=O)O)C1COC1 Amb22737550 [1,0,0,1,0,0|2,0,0]=4 2704 B9R1.110 N[C@H](C(=O)O)C1CCC1 Amb30633821 [1,0,0,1,0,0|1,0,1]=4 2705 B9R1.110 N[C@H](C(=O)O)C1CCC1 Amb8395976 [1,0,0,1,0,0|1,0,1]=4 2706 B9R1.110 N[C@H](C(=O)O)C1COC1 Amb22737551 [1,0,0,1,0,0|2,0,0]=4 2707 B9R1.112 NC(CC1CC1)C(=O)O Amb23399727 [1,0,0,1,0,0|1,0,1]=4 2708 B9R1.112 NC(CC1CC1)C(=O)O Amb4019455 [1,0,0,1,0,0|1,0,1]=4 2709 B9R1.112 N[C@@H](CC1CC1)C(=O)O Amb24329024 [1,0,0,1,0,0|1,0,1]=4 2710 B9R1.112 N[C@@H](C[C@H]1CO1)C(=O)O Amb28252257 [1,0,0,1,0,0|0,0,1]=3 2711 B9R1.112 N[C@H](CC1CC1)C(=O)O Amb2699114 [1,0,0,1,0,0|1,0,1]=4 2712 B9R1.159 CC1CCC1(N)C(=O)O Amb23456072 [1,0,0,1,0,0|1,0,1]=4 2713 B9R1.159 C[C@@H]1CC[C@@]1(N)C(=O)O Amb26027352 [1,0,0,1,0,0|1,0,1]=4 2714 B9R1.159 C[C@@H]1CC[C@]1(N)C(=O)O Amb24586126 [1,0,0,1,0,0|1,0,1]=4 2715 B9R1.159 C[C@H]1CC[C@@]1(N)C(=O)O Amb28056437 [1,0,0,1,0,0|1,0,1]=4 2716 B9R1.159 NC1(C(=O)O)CCC1O Amb27482724 [1,0,0,1,0,0|0,0,1]=3 2717 B9R1.159 N[C@H]1CC[C@@]1(N)C(=O)O Amb27216513 [1,0,0,1,0,0|1,0,1]=4 2718 B9R1.159 N[C@]1(C(=O)O)CC[C@@H]1O Amb28058284 [1,0,0,1,0,0|0,0,1]=3 2719 B9R1.163 CC1(C(=O)O)C=CCC1 Amb18642405 [1,0,0,1,0,0|2,0,0]=4 2720 B9R1.163 CC1(C(=O)O)CCCO1 Amb1088877 [1,0,0,1,0,0|1,0,1]=4 2721 B9R1.163 CC1(C(=O)O)CCNO1 Amb27972280 [1,0,0,1,0,0|2,0,0]=4 2722 B9R1.163 C[C@@]1(C(=O)O)CCCO1 Amb27600317 [1,0,0,1,0,0|1,0,1]=4 2723 B9R1.163 C[C@]1(C(=O)O)CCCO1 Amb24117235 [1,0,0,1,0,0|1,0,1]=4 2724 B9R1.163 NC1(C(=O)O)CC=CC1 Amb2683267 [1,0,0,1,0,0|1,0,1]=4 2725 B9R1.163 NC1(C(=O)O)CCCC1 Amb1838882 [1,0,0,1,0,0|1,0,1]=4 2726 B9R1.163 NC1(C(=O)O)CCNC1 Amb8630265 [1,0,0,1,0,0|2,0,0]=4 2727 B9R1.163 NC1(C(=O)O)CCOC1 Amb16232669 [1,0,0,1,0,0|2,0,0]=4 2728 B9R1.163 NC1(C(=O)O)CCOC1 Amb22274600 [1,0,0,1,0,0|2,0,0]=4 2729 B9R1.163 NC1(C(=O)O)CCSC1 Amb9724111 [1,0,0,1,0,0|2,0,0]=4 2730 B9R1.163 NC1(C(=O)O)OCCO1 Amb25887263 [1,0,0,1,0,0|1,0,1]=4 2731 B9R1.163 N[C@@]1(C(=O)O)CCNC1 Amb6893795 [1,0,0,1,0,0|2,0,0]=4 2732 B9R1.163 N[C@@]1(C(=O)O)CCOC1 Amb20241211 [1,0,0,1,0,0|2,0,0]=4 2733 B9R1.163 N[C@@]1(C(=O)O)CCSC1 Amb27972704 [1,0,0,1,0,0|2,0,0]=4 2734 B9R1.163 N[C@]1(C(=O)O)CCNC1 Amb6893796 [1,0,0,1,0,0|2,0,0]=4 2735 B9R1.163 N[C@]1(C(=O)O)CCOC1 Amb20241209 [1,0,0,1,0,0|2,0,0]=4 2736 B9R1.1 O=CC1CCC(=O)CC1 Amb8385725 [1,0,0,1,0,0|2,0,0]=4 2737 B9R1.55 CN1CC(C(=O)O)C1=O Amb17593354 [1,0,0,1,0,0|2,0,0]=4 2738 B9R1.82 CC(CO)C1CC(=O)O1 Amb28315511 [1,0,0,1,0,0|1,0,1]=4 2739 B9R1.82 C[C@@H](C=O)C1CC(=O)N1 Amb28184488 [1,0,0,1,0,0|2,0,0]=4 2740 B9R1.84 O=C(O)CC[C@@H]1CCN1 Amb27439305 [1,0,0,1,0,0|1,0,1]=4 2741 B9R1.125 C=CC1(C)CCC(=O)O1 Amb29849361 [1,0,0,1,0,0|2,0,0]=4 2742 B9R1.125 CC1(C=O)CCC(=O)C1 Amb28285173 [1,0,0,1,0,0|2,0,0]=4 2743 B9R1.125 CC1(C=O)CCC(=O)N1 Amb28364896 [1,0,0,1,0,0|2,0,0]=4 2744 B9R1.125 CC1(C=O)CCC(=O)O1 Amb28348513 [1,0,0,1,0,0|1,0,0]=3 2745 B9R1.125 C[C@@]1(C=O)CCC(=O)C1 Amb27798280 [1,0,0,1,0,0|2,0,0]=4 2746 B9R1.147 NC1(CCC(=O)O)CC1 Amb18832570 [1,0,0,1,0,0|1,0,1]=4 2747 B9R1.53 C=C1CC(CC(=O)O)C1 Amb35788335 [1,0,0,1,0,0|2,0,0]=4 2748 B9R1.53 CC(=O)CC1CC(=O)N1 Amb26593659 [1,0,0,1,0,0|2,0,0]=4 2749 B9R1.53 NC(=O)CC1CC(=O)N1 Amb27186130 [1,0,0,1,0,0|2,0,0]=4 2750 B9R1.53 O=C(O)CC1CC(=O)C1 Amb27493654 [1,0,0,1,0,0|1,0,0]=3 2751 B9R1.53 O=C(O)CC1CC(=O)N1 Amb24351879 [1,0,0,1,0,0|1,0,0]=3 2752 B9R1.53 O=C(O)C[C@H]1C[C@@H](O)C1 Amb26043308 [1,0,0,1,0,0|1,0,1]=4 2753 B9R1.53 O=C(O)C[C@H]1C[C@H](O)C1 Amb25204858 [1,0,0,1,0,0|1,0,1]=4 2754 B9R1.85 O=C(O)CCCC1CO1 Amb28453878 [1,0,0,1,0,0|1,0,1]=4 2755 B9R1.85 O=C(O)CCC[C@@H]1CO1 Amb27257665 [1,0,0,1,0,0|1,0,1]=4 2756 B9R1.161 C=C(C)C1CC1C(=O)O Amb25887453 [1,0,0,1,0,0|2,0,0]=4 2757 B9R1.161 C=C(C)[C@@H]1C[C@H]1C(=O)O Amb33199898 [1,0,0,1,0,0|2,0,0]=4 2758 B9R1.161 CC(=O)C1CC1C(C)=O Amb27861276 [1,0,0,1,0,0|2,0,0]=4 2759 B9R1.161 CC(=O)[C@@H]1C[C@H]1C(C)=O Amb28246517 [1,0,0,1,0,0|2,0,0]=4 2760 B9R1.161 CC(=O)[C@H]1C[C@H]1C(C)=O Amb28248083 [1,0,0,1,0,0|2,0,0]=4 2761 B9R1.161 CC(O)C1CC1C(=O)O Amb25888760 [1,0,0,1,0,0|1,0,1]=4 2762 B9R1.161 CC(O)[C@@H]1C[C@@H]1C(=O)O Amb28457538 [1,0,0,1,0,0|1,0,1]=4 2763 B9R1.161 CC(O)[C@@H]1C[C@H]1C(=O)O Amb27489157 [1,0,0,1,0,0|1,0,1]=4 2764 B9R1.161 NC(=O)C1CC1C(=O)O Amb17606123 [1,0,0,1,0,0|1,0,0]=3 2765 B9R1.161 NC(=O)C1CC1C(N)=O Amb27661569 [1,0,0,1,0,0|2,0,0]=4 2766 B9R1.161 NC(=O)C1OC1C(=O)O Amb25695985 [1,0,0,1,0,0|2,0,0]=4 2767 B9R1.161 NC(=O)[C@@H]1C[C@@H]1C(=O)O Amb24623178 [1,0,0,1,0,0|1,0,0]=3 2768 B9R1.161 NC(=O)[C@@H]1C[C@H]1C(=O)O Amb27447217 [1,0,0,1,0,0|1,0,0]=3 2769 B9R1.161 NC(=O)[C@H]1C[C@H]1C(=O)O Amb27436130 [1,0,0,1,0,0|1,0,0]=3 2770 B9R1.161 O=C(O)C1CC1B(O)O Amb27599742 [1,0,0,1,0,0|1,0,1]=4 2771 B9R1.161 O=C(O)C1CC1C(=O)Cl Amb26959493 [1,0,0,1,0,0|1,0,0]=3 2772 B9R1.161 O=C(O)C1CC1C(=O)O Amb1350467 [1,0,0,1,0,0|0,0,0]=2 2773 B9R1.161 O=C(O)C1CC1[N+](=O)[O-] Amb9197005 [1,0,0,1,0,0|1,0,1]=4 2774 B9R1.161 O=C(O)C1OC1C(=O)O Amb4001391 [1,0,0,1,0,0|1,0,0]=3 2775 B9R1.161 O=C(O)[C@@H]1C[C@H]1C(=O)O Amb22901897 [1,0,0,1,0,0|0,0,0]=2 2776 B9R1.161 O=C(O)[C@@H]1C[C@H]1[N+](=O)[O-] Amb25109456 [1,0,0,1,0,0|1,0,1]=4 2777 B9R1.161 O=C(O)[C@@H]1O[C@H]1C(=O)O Amb22799776 [1,0,0,1,0,0|1,0,0]=3 2778 B9R1.161 O=C(O)[C@H]1C[C@@H]1C(=O)O Amb25979295 [1,0,0,1,0,0|0,0,0]=2 2779 B9R1.161 O=C(O)[C@H]1C[C@@H]1[N+](=O)[O-] Amb26439479 [1,0,0,1,0,0|1,0,1]=4 2780 B9R1.161 O=C(O)[C@H]1C[C@H]1C(=O)O Amb3442175 [1,0,0,1,0,0|0,0,0]=2 2781 B9R1.161 O=C(O)[C@H]1O[C@@H]1C(=O)O Amb22262951 [1,0,0,1,0,0|1,0,0]=3 2782 B9R1.166 O=C(O)C1CCS1(=O)=O Amb33309510 [1,0,0,1,0,0|1,0,1]=4 2783 B9R1.152 C=C1CC(N)(C(=O)O)C1 Amb34145346 [0,0,0,1,1,0|2,0,0]=4 2784 B9R1.152 CC1(C(=O)O)CC(=O)C1 Amb22406208 [0,0,0,1,1,0|2,0,0]=4 2785 B9R1.152 NC1(C(=O)O)CC(O)C1 Amb26585144 [0,0,0,1,1,0|1,0,1]=4 2786 B9R1.152 NC1(C(=O)O)CC(O)C1 Amb28992378 [0,0,0,1,1,0|1,0,1]=4 2787 B9R1.152 N[C@]1(C(=O)O)C[C@H](O)C1 Amb25297893 [0,0,0,1,1,0|1,0,1]=4 2788 B9R1.152 N[C@]1(C(=O)O)C[C@H](O)C1 Amb32679390 [0,0,0,1,1,0|1,0,1]=4 2789 B9R1.152 O=C1CC(F)(C(=O)O)C1 Amb34136578 [0,0,0,1,1,0|2,0,0]=4 2790 B9R1.164 O=C(O)C1CP(=O)(O)C1 Amb4297467 [0,0,0,1,1,0|2,0,0]=4 2791 B11R1.20 O=C(O)CC1CCC(=O)CC1 Amb10607825 [0,0,0,1,0,1|2,0,0]=4 2792 B11R1.20 O=C(O)CC1CCC(=O)NC1 Amb18200019 [0,0,0,1,0,1|2,0,0]=4 2793 B11R1.20 O=C(O)CC1CNC(=O)CN1 Amb24655930 [0,0,0,1,0,1|2,0,0]=4 2794 B11R1.20 O=C(O)C[C@H]1CC[C@H](O)CN1 Amb27629758 [0,0,0,1,0,1|1,0,1]=4 2795 B11R1.20 O=C(O)C[C@H]1CNC(=O)CN1 Amb27473255 [0,0,0,1,0,1|2,0,0]=4 2796 B11R1.74 CC1CC(=O)NC(C(=O)O)C1 Amb26352891 [0,0,0,1,0,1|2,0,0]=4 2797 B11R1.74 CC1CC(C(=O)O)CC(=O)N1 Amb27628365 [0,0,0,1,0,1|2,0,0]=4 2798 B11R1.74 C[C@@H]1CC(=O)N[C@H](C(=O)O)C1 Amb28134065 [0,0,0,1,0,1|2,0,0]=4 2799 B11R1.74 C[C@H]1CC(=O)N[C@@H](C(=O)O)C1 Amb28284476 [0,0,0,1,0,1|2,0,0]=4 2800 B11R1.74 NC1CC(=O)NC(C(=O)O)C1 Amb18199921 [0,0,0,1,0,1|1,0,0]=3 2801 B11R1.74 NC1CC(C(=O)O)CC(=O)N1 Amb28129104 [0,0,0,1,0,1|1,0,0]=3 2802 B11R1.74 NC1CC(O)CC(C(=O)O)C1 Amb28285635 [0,0,0,1,0,1|1,0,1]=4 2803 B11R1.74 N[C@@H]1C[C@H](O)C[C@H](C(=O)O)C1 Amb27650583 [0,0,0,1,0,1|1,0,1]=4 2804 B11R1.74 O=C1CC(=O)OC(C(=O)O)C1 Amb26849736 [0,0,0,1,0,1|1,0,1]=4 2805 B11R1.74 O=C1CC(C(=O)O)CC(O)N1 Amb27234573 [0,0,0,1,0,1|2,0,0]=4 2806 B11R1.74 O=C1CC(O)CC(C(=O)O)N1 Amb28077591 [0,0,0,1,0,1|2,0,0]=4 2807 B11R1.75 CC(=O)CCC1=CC(=O)ON1 Amb27847260 [0,0,0,1,0,1|1,0,1]=4 2808 B11R1.75 O=C(O)CCC1=CC(=O)NN1 Amb18200286 [0,0,0,1,0,1|1,0,1]=4 2809 B11R1.75 O=C(O)CCC1=NC(=O)NN1 Amb20669262 [0,0,0,1,0,1|1,0,1]=4 2810 B11R1.75 O=C(O)CCC1=NOC(=O)C1 Amb27209293 [0,0,0,1,0,1|0,0,2]=4 2811 B11R1.75 O=C(O)CCC1CCC(=O)N1 Amb551261 [0,0,0,1,0,1|2,0,0]=4 2812 B11R1.75 O=C(O)CCC1CCC(=O)O1 Amb18126095 [0,0,0,1,0,1|2,0,0]=4 2813 B11R1.75 O=C(O)CCC1CNC(=O)N1 Amb27955291 [0,0,0,1,0,1|2,0,0]=4 2814 B11R1.75 O=C(O)CCC1COC(=O)N1 Amb24358987 [0,0,0,1,0,1|1,0,0]=3 2815 B11R1.75 O=C(O)CCC1NC(=O)CS1 Amb27758647 [0,0,0,1,0,1|2,0,0]=4 2816 B11R1.75 O=C(O)CCN1CC(=O)ON1 Amb27865614 [0,0,0,1,0,1|1,0,0]=3 2817 B11R1.75 O=C(O)CC[C@@H]1CCC(=O)N1 Amb27622656 [0,0,0,1,0,1|2,0,0]=4 2818 B11R1.75 O=C(O)CC[C@@H]1C[C@@H](O)CN1 Amb27421983 [0,0,0,1,0,1|1,0,1]=4 2819 B11R1.75 O=C(O)CC[C@H]1CCC(=O)N1 Amb27627802 [0,0,0,1,0,1|2,0,0]=4 2820 B11R1.75 O=C(O)CC[C@H]1COC(=O)C1 Amb28123271 [0,0,0,1,0,1|1,0,0]=3 2821 B11R1.108 CC1CC(C(=O)O)C1C(=O)O Amb26595927 [0,0,0,1,0,1|1,0,0]=3 2822 B11R1.108 O=C(O)C1CC(=O)C1C(=O)O Amb34149611 [0,0,0,1,0,1|1,0,1]=4 2823 B11R1.108 O=C(O)[C@H]1CC(=O)[C@@H]1C(=O)O Amb34913067 [0,0,0,1,0,1|1,0,1]=4 2824 B11R1.108 O=C(O)[C@H]1CC(=O)[C@H]1C(=O)O Amb34912796 [0,0,0,1,0,1|1,0,1]=4 2825 B11R1.167 CC1CCC(=O)CC1C(=O)O Amb32867785 [0,0,0,1,0,1|2,0,0]=4 2826 B11R1.167 NC1CCC(O)CC1C(=O)O Amb25139597 [0,0,0,1,0,1|1,0,1]=4 2827 B11R1.167 N[C@@H]1CC[C@@H](O)C[C@H]1C(=O)O Amb27231807 [0,0,0,1,0,1|1,0,1]=4 2828 B11R1.167 N[C@@H]1CC[C@H](O)C[C@@H]1C(=O)O Amb27444612 [0,0,0,1,0,1|1,0,1]=4 2829 B11R1.167 N[C@@H]1CC[C@H](O)C[C@H]1C(=O)O Amb27878771 [0,0,0,1,0,1|1,0,1]=4 2830 B11R1.167 N[C@H]1CC[C@@H](O)C[C@H]1C(=O)O Amb28193740 [0,0,0,1,0,1|1,0,1]=4 2831 B11R1.167 O=C1CC[C@H](O)[C@H](C(=O)O)N1 Amb25174915 [0,0,0,1,0,1|2,0,0]=4 2832 B11R1.645 CC1=CC(=O)OC1CC(=O)O Amb18125925 [0,0,0,1,0,1|1,0,1]=4 2833 B11R1.645 CC1CC(=O)OC1CC(=O)O Amb28458582 [0,0,0,1,0,1|1,0,0]=3 2834 B11R1.645 C[C@@H]1NC(=O)C[C@H]1CC(=O)O Amb18830651 [0,0,0,1,0,1|2,0,0]=4 2835 B11R1.645 O=C(O)CC1OC(=O)C=C1Br Amb17596018 [0,0,0,1,0,1|1,0,1]=4 2836 B11R1.645 O=C(O)CC1OC(=O)C=C1O Amb27657626 [0,0,0,1,0,1|1,0,1]=4 2837 B11R1.710 O=C(O)CC1CCS(=O)(=O)N1 Amb24595350 [0,0,0,1,0,1|1,0,1]=4 2838 B11R1.711 CC(=O)C1CC1CCC(=O)O Amb27990217 [0,0,0,1,0,1|2,0,0]=4 2839 B11R1.711 CC(=O)CCC1CC1C(=O)O Amb25384585 [0,0,0,1,0,1|2,0,0]=4 2840 B11R1.711 CC(=O)CC[C@@H]1C[C@@H]1C(=O)O Amb25384133 [0,0,0,1,0,1|2,0,0]=4 2841 B11R1.711 CC(=O)CC[C@H]1C[C@H]1C(=O)O Amb25383057 [0,0,0,1,0,1|2,0,0]=4 2842 B11R1.740 O=C(O)CC1CC1CC(=O)O Amb4015364 [0,0,0,1,0,1|1,0,0]=3 2843 B11R1.743 CC(=O)C1CC(CC(=O)O)C1 Amb25202475 [0,0,0,1,0,1|2,0,0]=4 2844 B11R1.743 CC(=O)NC1CC(C(=O)O)C1 Amb23441142 [0,0,0,1,0,1|2,0,0]=4 2845 B11R1.743 CC(=O)N[C@H]1C[C@@H](C(=O)O)C1 Amb29887511 [0,0,0,1,0,1|2,0,0]=4 2846 B11R1.743 CC(=O)N[C@H]1C[C@H](C(=O)O)C1 Amb35585911 [0,0,0,1,0,1|2,0,0]=4 2847 B11R1.743 NC(=O)NC1CC(C(=O)O)C1 Amb35659136 [0,0,0,1,0,1|2,0,0]=4 2848 B11R1.743 NC(=O)N[C@H]1C[C@@H](C(=O)O)C1 Amb29887629 [0,0,0,1,0,1|2,0,0]=4 2849 B11R1.743 NC(=O)N[C@H]1C[C@H](C(=O)O)C1 Amb35645356 [0,0,0,1,0,1|2,0,0]=4 2850 B11R1.1039 NC1(CC(=O)O)CNC(=O)C1 Amb27634133 [0,0,0,1,0,1|2,0,0]=4 2851 B11R1.1039 O=C(O)CC1(O)CCC(=O)O1 Amb27823336 [0,0,0,1,0,1|1,0,0]=3 2852 B11R1.21 CC1SCC(C(=O)O)NC1=O Amb23590306 [0,0,0,1,0,1|2,0,0]=4 2853 B11R1.21 NC(=O)C1CCC(N)C(=O)N1 Amb24707747 [0,0,0,1,0,1|2,0,0]=4 2854 B11R1.21 O=C(O)C1=CC(=O)[C@@H](O)CC1 Amb25870177 [0,0,0,1,0,1|2,0,0]=4 2855 B11R1.21 O=C1CC(C(=O)O)CCC1O Amb27176349 [0,0,0,1,0,1|2,0,0]=4 2856 B11R1.21 O=C1CC(C(=O)O)OCC1O Amb24390226 [0,0,0,1,0,1|2,0,0]=4 2857 B11R1.80 CN1CC(CC(=O)O)OC1=O Amb18830410 [0,0,0,1,0,1|2,0,0]=4 2858 B11R1.80 O=C(O)CC1C=C(Cl)C(=O)O1 Amb27233573 [0,0,0,1,0,1|1,0,1]=4 2859 B11R1.80 O=C(O)C[C@@H]1C=C(F)C(=O)O1 Amb25724279 [0,0,0,1,0,1|1,0,1]=4 2860 B11R1.147 CC(=O)OCC1NC(=O)C1N Amb27794736 [0,0,0,1,0,1|2,0,0]=4 2861 B11R1.147 NC(=O)NC[C@@H]1NC(=O)[C@@H]1N Amb27876505 [0,0,0,1,0,1|2,0,0]=4 2862 B11R1.147 NC(=O)OCC1NC(=O)C1N Amb26372637 [0,0,0,1,0,1|2,0,0]=4 2863 B11R1.153 C=C1CN(CC(N)C(=O)O)C1 Amb35605522 [0,0,0,1,0,1|2,0,0]=4 2864 B11R1.175 CC(=O)C1CCC(C(=O)O)C1 Amb24373216 [0,0,0,1,0,1|2,0,0]=4 2865 B11R1.175 CC(=O)C1NC(C(=O)O)CS1 Amb27408644 [0,0,0,1,0,1|1,0,0]=3 2866 B11R1.175 CC(=O)N1CCC(C(=O)O)C1 Amb18949041 [0,0,0,1,0,1|2,0,0]=4 2867 B11R1.175 CC(=O)[C@@H]1CC[C@H](C(=O)O)C1 Amb28052085 [0,0,0,1,0,1|2,0,0]=4 2868 B11R1.175 CC(=O)[C@@H]1C[C@@H](C(=O)O)CO1 Amb27424004 [0,0,0,1,0,1|2,0,0]=4 2869 B11R1.175 CC(=O)[C@H]1CC[C@H](C(=O)O)C1 Amb28052084 [0,0,0,1,0,1|2,0,0]=4 2870 B11R1.175 CC(=O)[C@H]1C[C@@H](C(=O)O)CO1 Amb27221215 [0,0,0,1,0,1|2,0,0]=4 2871 B11R1.175 NC(=O)C1CCC(C(=O)O)C1 Amb18126050 [0,0,0,1,0,1|2,0,0]=4 2872 B11R1.175 NC(=O)C1CCC(C(=O)O)N1 Amb27397702 [0,0,0,1,0,1|1,0,0]=3 2873 B11R1.175 NC(=O)C1CCC(C(=O)O)O1 Amb25111716 [0,0,0,1,0,1|2,0,0]=4 2874 B11R1.175 NC(=O)[C@@H]1CC[C@@H](C(=O)O)N1 Amb23560427 [0,0,0,1,0,1|1,0,0]=3 2875 B11R1.175 NC(=O)[C@@H]1CC[C@@H](C(=O)O)S1 Amb23560425 [0,0,0,1,0,1|2,0,0]=4 2876 B11R1.175 NC(=O)[C@@H]1CC[C@@H](C(N)=O)N1 Amb27863644 [0,0,0,1,0,1|2,0,0]=4 2877 B11R1.175 NC(=O)[C@@H]1CC[C@H](C(=O)O)C1 Amb25983681 [0,0,0,1,0,1|2,0,0]=4 2878 B11R1.175 NC(=O)[C@@H]1CC[C@H](C(=O)O)N1 Amb23560440 [0,0,0,1,0,1|1,0,0]=3 2879 B11R1.175 NC(=O)[C@@H]1CC[C@H](C(=O)O)O1 Amb24384443 [0,0,0,1,0,1|2,0,0]=4 2880 B11R1.175 NC(=O)[C@@H]1CC[C@H](C(=O)O)S1 Amb23560409 [0,0,0,1,0,1|2,0,0]=4 2881 B11R1.175 O=C(O)C1C=CC(C(=O)O)C1 Amb27192014 [0,0,0,1,0,1|1,0,1]=4 2882 B11R1.175 O=C(O)C1CCC(C(=O)Cl)C1 Amb28074649 [0,0,0,1,0,1|2,0,0]=4 2883 B11R1.175 O=C(O)C1CCC(C(=O)O)C1 Amb2221143 [0,0,0,1,0,1|1,0,0]=3 2884 B11R1.175 O=C(O)C1CCC(C(=O)O)O1 Amb18126226 [0,0,0,1,0,1|1,0,0]=3 2885 B11R1.175 O=C(O)C1CCC(C(=O)O)[Se]1 Amb2793472 [0,0,0,1,0,1|1,0,0]=3 2886 B11R1.175 O=C(O)C1CNC(C(=O)O)C1 Amb2695727 [0,0,0,1,0,1|1,0,0]=3 2887 B11R1.175 O=C(O)C1COC(C(=O)O)C1 Amb23454154 [0,0,0,1,0,1|1,0,0]=3 2888 B11R1.175 O=C(O)C1CSC(C(=O)O)C1 Amb18647960 [0,0,0,1,0,1|1,0,0]=3 2889 B11R1.175 O=C(O)C1CSC(C(=O)O)N1 Amb16203736 [0,0,0,1,0,1|0,0,0]=2 2890 B11R1.175 O=C(O)[C@@H]1C=C[C@H](C(=O)O)C1 Amb27491019 [0,0,0,1,0,1|1,0,1]=4 2891 B11R1.175 O=C(O)[C@@H]1CC[C@@H](C(=O)O)C1 Amb27455546 [0,0,0,1,0,1|1,0,0]=3 2892 B11R1.175 O=C(O)[C@@H]1CC[C@@H](C(=O)O)N1 Amb25174831 [0,0,0,1,0,1|0,0,0]=2 2893 B11R1.175 O=C(O)[C@@H]1CC[C@@H](C(=O)O)O1 Amb27966839 [0,0,0,1,0,1|1,0,0]=3 2894 B11R1.175 O=C(O)[C@@H]1CC[C@@H](C(=O)O)S1 Amb23560341 [0,0,0,1,0,1|1,0,0]=3 2895 B11R1.175 O=C(O)[C@@H]1CC[C@H](C(=O)O)O1 Amb17620468 [0,0,0,1,0,1|1,0,0]=3 2896 B11R1.175 O=C(O)[C@@H]1CC[C@H](C(=O)O)S1 Amb23560340 [0,0,0,1,0,1|1,0,0]=3 2897 B11R1.175 O=C(O)[C@@H]1CN[C@@H](C(=O)O)C1 Amb24559908 [0,0,0,1,0,1|1,0,0]=3 2898 B11R1.175 O=C(O)[C@@H]1CN[C@H](C(=O)O)C1 Amb22262950 [0,0,0,1,0,1|1,0,0]=3 2899 B11R1.175 O=C(O)[C@@H]1C[C@@H](C(=O)O)CN1 Amb19930523 [0,0,0,1,0,1|1,0,0]=3 2900 B11R1.175 O=C(O)[C@@H]1C[C@@H](C(=O)O)SS1 Amb27817898 [0,0,0,1,0,1|2,0,0]=4 2901 B11R1.175 O=C(O)[C@H]1C=C[C@H](C(=O)O)O1 Amb27650630 [0,0,0,1,0,1|1,0,1]=4 2902 B11R1.175 O=C(O)[C@H]1CC[C@@H](C(=O)O)C1 Amb6299713 [0,0,0,1,0,1|1,0,0]=3 2903 B11R1.175 O=C(O)[C@H]1CC[C@H](C(=O)O)C1 Amb22744933 [0,0,0,1,0,1|1,0,0]=3 2904 B11R1.175 O=C(O)[C@H]1CC[C@H](C(=O)O)N1 Amb27195626 [0,0,0,1,0,1|0,0,0]=2 2905 B11R1.175 O=C(O)[C@H]1CN[C@@H](C(=O)O)C1 Amb26528102 [0,0,0,1,0,1|1,0,0]=3 2906 B11R1.175 O=C(O)[C@H]1C[C@H](C(=O)O)SS1 Amb27657788 [0,0,0,1,0,1|2,0,0]=4 2907 B11R1.314 CC(C(=O)O)C1CCC(=O)C1 Amb27596870 [0,0,0,1,0,1|2,0,0]=4 2908 B11R1.314 CC(C(=O)O)C1CCC(=O)N1 Amb24741902 [0,0,0,1,0,1|2,0,0]=4 2909 B11R1.314 C[C@@H]1CCC(C(N)C(=O)O)O1 Amb33423685 [0,0,0,1,0,1|1,0,1]=4 2910 B11R1.314 C[C@@H]1CC[C@H]([C@H](N)C(=O)O)O1 Amb28457487 [0,0,0,1,0,1|1,0,1]=4 2911 B11R1.314 NC(=O)C(N)C1CCC(=O)C1 Amb27159565 [0,0,0,1,0,1|2,0,0]=4 2912 B11R1.314 NC(C(=O)O)C1CCC(=O)C1 Amb27828292 [0,0,0,1,0,1|1,0,0]=3 2913 B11R1.314 NC(C(=O)O)C1CCC(=O)O1 Amb27955898 [0,0,0,1,0,1|0,0,0]=2 2914 B11R1.314 NC(C(=O)O)C1CN=C(Cl)C1 Amb28281848 [0,0,0,1,0,1|2,0,0]=4 2915 B11R1.314 N[C@@H](C(=O)O)C1CCC(=O)C1 Amb25148224 [0,0,0,1,0,1|1,0,0]=3 2916 B11R1.314 N[C@H](C(=O)O)C1CCC(=O)C1 Amb26955070 [0,0,0,1,0,1|1,0,0]=3 2917 B11R1.314 O=C1CCC(C(O)C(=O)O)N1 Amb28121038 [0,0,0,1,0,1|2,0,0]=4 2918 B11R1.314 O=C1OC[C@H]([C@@H](O)C(=O)O)O1 Amb27966811 [0,0,0,1,0,1|1,0,0]=3 2919 B11R1.565 O=C1CCC(C(=O)O)CCN1 Amb24488196 [0,0,0,1,0,1|2,0,0]=4 2920 B11R1.565 O=C1CCC(C(=O)O)CCO1 Amb22001721 [0,0,0,1,0,1|2,0,0]=4 2921 B11R1.565 O=C1CCCC(C(=O)O)CC1 Amb23399610 [0,0,0,1,0,1|2,0,0]=4 2922 B11R1.565 O=C1CCSC(C(=O)O)CN1 Amb27441231 [0,0,0,1,0,1|2,0,0]=4 2923 B11R1.667 CC1(C(=O)O)CCNC(=O)C1 Amb32668817 [0,0,0,1,0,1|2,0,0]=4 2924 B11R1.667 CC1=CCCC(C)(C(=O)O)O1 Amb28245231 [0,0,0,1,0,1|2,0,0]=4 2925 B11R1.667 C[C@@]1(C(=O)O)CCCC(=O)C1 Amb25138624 [0,0,0,1,0,1|2,0,0]=4 2926 B11R1.667 NC1(C(=O)O)CCCC(=O)C1 Amb23560233 [0,0,0,1,0,1|1,0,0]=3 2927 B11R1.667 NC1(C(=O)O)CCCC(O)C1 Amb27607815 [0,0,0,1,0,1|1,0,1]=4 2928 B11R1.667 N[C@@]1(C(=O)O)CCC[C@@H](O)C1 Amb25377812 [0,0,0,1,0,1|1,0,1]=4 2929 B11R1.667 O=C1CCCC(O)(C(=O)O)O1 Amb27760512 [0,0,0,1,0,1|1,0,0]=3 2930 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 2931 B11R1.704 NC(C(=O)O)C1CC1C(=O)O Amb24447417 [0,0,0,1,0,1|0,0,0]=2 2932 B11R1.704 NC(C(=O)O)[C@@H]1C[C@@H]1C(=O)O Amb27878614 [0,0,0,1,0,1|0,0,0]=2 2933 B11R1.704 N[C@@H](C(=O)O)C1CC1C(=O)O Amb27772027 [0,0,0,1,0,1|0,0,0]=2 2934 B11R1.704 N[C@H](C(=O)O)[C@@H]1C[C@@H]1C(=O)O Amb22352678 [0,0,0,1,0,1|0,0,0]=2 2935 B11R1.704 N[C@H](C(=O)O)[C@H]1C[C@@H]1C(=O)O Amb19930360 [0,0,0,1,0,1|0,0,0]=2 2936 B11R1.704 N[C@H](C(=O)O)[C@H]1C[C@H]1C(=O)O Amb22388556 [0,0,0,1,0,1|0,0,0]=2 2937 B11R1.723 CC(=O)C1CCC1(C)C(=O)O Amb25858072 [0,0,0,1,0,1|2,0,0]=4 2938 B11R1.723 CC(=O)[C@@H]1CC[C@]1(C)C(=O)O Amb27409379 [0,0,0,1,0,1|2,0,0]=4 2939 B11R1.723 CC(=O)[C@H]1CC[C@@]1(C)C(=O)O Amb27781464 [0,0,0,1,0,1|2,0,0]=4 2940 B11R1.723 NC1(C(=O)O)CCC1C(=O)O Amb24381448 [0,0,0,1,0,1|0,0,0]=2 2941 B11R1.730 O=C(O)C1C=CCP(=O)(O)N1 Amb27407735 [0,0,0,1,0,1|1,0,1]=4 2942 B11R1.927 NC1(C(=O)O)CC1CC(=O)O Amb26493344 [0,0,0,1,0,1|0,0,0]=2 2943 B11R1.927 NC1(C(=O)O)CC1CC(=O)O Amb32665933 [0,0,0,1,0,1|0,0,0]=2 2944 B11R1.927 N[C@@]1(C(=O)O)C[C@H]1CC(=O)O Amb25179270 [0,0,0,1,0,1|0,0,0]=2 2945 B11R1.644 CC1(C)CC(C(=O)O)NC1=O Amb25893103 [0,1,0,1,0,0|2,0,0]=4 2946 B11R1.644 CC1(C)C[C@@H](C(=O)O)NC1=O Amb17613371 [0,1,0,1,0,0|2,0,0]=4 2947 B11R1.644 O=C(O)C1CC(F)(F)C(=O)N1 Amb25828417 [0,1,0,1,0,0|2,0,0]=4 2948 B11R1.149 C=C1CC1C(C)C(N)C(=O)O Amb25916404 [0,1,0,1,0,0|2,0,0]=4 2949 B11R1.166 C=C1CC[C@@H](C(=O)O)[C@@H](N)C1 Amb28056027 [0,1,0,1,0,0|2,0,0]=4 2950 B11R1.166 CC1=CC(=O)CCC1C(=O)O Amb25189150 [0,1,0,1,0,0|2,0,0]=4 2951 B11R1.166 CC1CC(=O)CCC1C(=O)O Amb18125961 [0,1,0,1,0,0|2,0,0]=4 2952 B11R1.166 CC1CC(=O)NCC1C(=O)O Amb25149101 [0,1,0,1,0,0|2,0,0]=4 2953 B11R1.166 C[C@@H]1CC(=O)CC[C@H]1C(=O)O Amb24511958 [0,1,0,1,0,0|2,0,0]=4 2954 B11R1.166 C[C@H]1CC(=O)CC[C@H]1C(=O)O Amb24571688 [0,1,0,1,0,0|2,0,0]=4 2955 B11R1.166 N[C@@H]1C[C@@H](O)CC[C@@H]1C(=O)O Amb24546400 [0,1,0,1,0,0|1,0,1]=4 2956 B11R1.166 N[C@@H]1C[C@@H](O)CC[C@H]1C(=O)O Amb27630523 [0,1,0,1,0,0|1,0,1]=4 2957 B11R1.166 N[C@H]1C[C@@H](O)CC[C@@H]1C(=O)O Amb27195777 [0,1,0,1,0,0|1,0,1]=4 2958 B11R1.166 N[C@H]1C[C@@H](O)CC[C@H]1C(=O)O Amb28457447 [0,1,0,1,0,0|1,0,1]=4 2959 B11R1.313 CC1C(=O)CCC1CC(=O)O Amb18125960 [0,1,0,1,0,0|2,0,0]=4 2960 B11R1.313 C[C@@H]1C(=O)CC[C@H]1CC(=O)O Amb28385685 [0,1,0,1,0,0|2,0,0]=4 2961 B11R1.313 NC1C(=O)NOC1CC(=O)O Amb27643083 [0,1,0,1,0,0|0,0,0]=2 2962 B11R1.490 CC(=O)C1(C)OC(=O)CC1C Amb26865792 [0,1,0,1,0,0|2,0,0]=4 2963 B11R1.490 CC1CC(=O)OC1(C)C(=O)O Amb18644983 [0,1,0,1,0,0|1,0,0]=3 2964 B11R1.519 CN1[C@@H](C(=O)O)C[C@@H]1C(=O)O Amb25295430 [0,1,0,1,0,0|0,0,0]=2 2965 B11R1.519 CN1[C@H](C(=O)O)C[C@H]1C(=O)O Amb28052125 [0,1,0,1,0,0|0,0,0]=2 2966 B11R1.672 CC(=O)C1OC(=O)C(O)C1O Amb28074805 [0,1,0,1,0,0|2,0,0]=4 2967 B11R1.672 CC1C(=O)OC(C(N)=O)C1C Amb27791768 [0,1,0,1,0,0|2,0,0]=4 2968 B11R1.672 CC1NC(C(=O)O)C(O)C1=O Amb28123093 [0,1,0,1,0,0|2,0,0]=4 2969 B11R1.672 CC1N[C@H](C(=O)O)C(O)C1=O Amb25319073 [0,1,0,1,0,0|2,0,0]=4 2970 B11R1.672 CN1C(=O)C(N)CC1C(=O)O Amb28323541 [0,1,0,1,0,0|1,0,0]=3 2971 B11R1.672 CN1C(=O)C(N)CC1C(N)=O Amb27959204 [0,1,0,1,0,0|2,0,0]=4 2972 B11R1.672 N[C@@H]1C[C@H](C(=O)O)[C@@H](O)[C@H]1O Amb27984686 [0,1,0,1,0,0|0,0,2]=4 2973 B11R1.672 O=C1OC(C(=O)O)C(O)C1O Amb27875078 [0,1,0,1,0,0|1,0,0]=3 2974 B11R1.708 CC(=O)C1CCC1CC(=O)O Amb25918239 [0,1,0,1,0,0|2,0,0]=4 2975 B11R1.708 O=C(O)CC1CNC1C(=O)O Amb28384932 [0,1,0,1,0,0|0,0,0]=2 2976 B11R1.708 O=C(O)C[C@@H]1CN[C@H]1C(=O)O Amb19131121 [0,1,0,1,0,0|0,0,0]=2 2977 B11R1.708 O=C(O)C[C@H]1CN[C@H]1C(=O)O Amb27863455 [0,1,0,1,0,0|0,0,0]=2 2978 B11R1.1106 NC(C(=O)O)C1CS(=O)(=O)C1 Amb24610746 [0,1,0,1,0,0|1,0,1]=4 2979 B11R1.1293 CC1C(C(=O)O)C1(Cl)C(=O)O Amb27945670 [0,1,0,1,0,0|1,0,0]=3 2980 B11R1.1293 C[C@@H]1[C@@H](C(=O)O)[C@]1(C)C(=O)O Amb27858781 [0,1,0,1,0,0|1,0,0]=3 2981 B11R1.1293 C[C@H]1[C@@H](C(=O)O)[C@]1(C)C(=O)O Amb27865565 [0,1,0,1,0,0|1,0,0]=3 2982 B11R1.220 CC1(C(=O)O)CCC(=O)CC1 Amb22227990 [0,1,0,1,0,0|2,0,0]=4 2983 B11R1.220 CC1(C(=O)O)CCC(=O)NC1 Amb28284956 [0,1,0,1,0,0|2,0,0]=4 2984 B11R1.220 CC1(C(=O)O)COC(=O)OC1 Amb26866279 [0,1,0,1,0,0|2,0,0]=4 2985 B11R1.220 CC1CCC(N)(C(=O)O)CO1 Amb35694652 [0,1,0,1,0,0|1,0,1]=4 2986 B11R1.220 NC(=O)C1(N)CCC(=O)NC1 Amb27440634 [0,1,0,1,0,0|2,0,0]=4 2987 B11R1.220 NC1(C(=O)O)CCC(=O)CC1 Amb16183881 [0,1,0,1,0,0|1,0,0]=3 2988 B11R1.220 NC1(C(=O)O)CCC(O)CC1 Amb2699209 [0,1,0,1,0,0|1,0,1]=4 2989 B11R1.220 NC1(C(=O)O)CCS(=O)CC1 Amb28250020 [0,1,0,1,0,0|2,0,0]=4 2990 B11R1.220 O=C1CCC(F)(C(=O)O)CC1 Amb24533003 [0,1,0,1,0,0|2,0,0]=4 2991 B11R1.220 O=C1CCC(O)(C(=O)O)CC1 Amb27467622 [0,1,0,1,0,0|2,0,0]=4 2992 B11R1.738 NC1(C(=O)O)CCS(=O)(=O)C1 Amb24452282 [0,1,0,1,0,0|1,0,1]=4 2993 B11R1.738 NC1(C(=O)O)CCS(=O)(=O)C1 Amb32652429 [0,1,0,1,0,0|1,0,1]=4 2994 B11R1.1389 NC1(C(=O)O)CC(C(=O)O)C1 Amb23592289 [0,1,0,1,0,0|0,0,0]=2 2995 B11R1.1389 NC1(C(=O)O)CC(C(=O)O)C1 Amb35745792 [0,1,0,1,0,0|0,0,0]=2 2996 B11R1.1389 N[C@]1(C(=O)O)C[C@@H](C(=O)O)C1 Amb24468408 [0,1,0,1,0,0|0,0,0]=2 2997 B11R1.1389 N[C@]1(C(=O)O)C[C@H](C(=O)O)C1 Amb19297840 [0,1,0,1,0,0|0,0,0]=2 2998 B11R1.1389 O=C(O)C1CC(O)(C(=O)O)C1 Amb33330532 [0,1,0,1,0,0|1,0,0]=3 2999 B11R1.1389 O=C(O)[C@H]1C[C@](O)(C(=O)O)C1 Amb33210002 [0,1,0,1,0,0|1,0,0]=3 3000 B11R1.1391 CC(=O)CCC1(C(=O)O)CC1 Amb27990274 [0,1,0,1,0,0|2,0,0]=4 3001 B11R1.1391 O=C(O)COC1(C(=O)O)CC1 Amb32946166 [0,1,0,1,0,0|2,0,0]=4 3002 B11R1.22 COC(=O)C1C=CC(=O)CC1 Amb27948565 [0,1,0,1,0,0|2,0,0]=4 3003 B11R1.22 COC(=O)C1CCC(=O)CC1 Amb4477304 [0,1,0,1,0,0|2,0,0]=4 3004 B11R1.22 COC(=O)C1CCC(=O)CO1 Amb24569287 [0,1,0,1,0,0|2,0,0]=4 3005 B11R1.22 COC(=O)C1CCC(=O)NC1 Amb19957331 [0,1,0,1,0,0|2,0,0]=4 3006 B11R1.22 COC(=O)C1CCC(=O)SC1 Amb27445750 [0,1,0,1,0,0|1,1,0]=4 3007 B11R1.22 COC(=O)C1CNC(=O)CN1 Amb24419888 [0,1,0,1,0,0|2,0,0]=4 3008 B11R1.22 COC(=O)C1CNC(=O)OC1 Amb27199734 [0,1,0,1,0,0|2,0,0]=4 3009 B11R1.22 COC(=O)[C@@H]1CCC(=O)NC1 Amb27633633 [0,1,0,1,0,0|2,0,0]=4 3010 B11R1.22 COC(=O)[C@@H]1CC[C@H](O)CN1 Amb24571184 [0,1,0,1,0,0|1,0,1]=4 3011 B11R1.22 COC(=O)[C@@H]1CNC(=O)CN1 Amb10608895 [0,1,0,1,0,0|2,0,0]=4 3012 B11R1.22 COC(=O)[C@H]1CCC(=O)NC1 Amb27965494 [0,1,0,1,0,0|2,0,0]=4 3013 B11R1.48 CC1CC(C(=O)O)C\C1=N/O Amb27407107 [0,1,0,1,0,0|2,0,0]=4 3014 B11R1.48 CCC1CC(C(C)=O)OC1=O Amb28121700 [0,1,0,1,0,0|2,0,0]=4 3015 B11R1.48 CCN1CC(C(=O)O)OC1=O Amb28044990 [0,1,0,1,0,0|2,0,0]=4 3016 B11R1.48 NC1CC(C(=O)O)C\C1=C/F Amb27646496 [0,1,0,1,0,0|2,0,0]=4 3017 B11R1.48 NC[C@H]1CC(C(=O)O)C[C@H]1O Amb27879994 [0,1,0,1,0,0|1,0,1]=4 3018 B11R1.48 N[C@H]1C[C@@H](C(=O)O)C\C1=C/F Amb27983564 [0,1,0,1,0,0|2,0,0]=4 3019 B11R1.48 N[C@H]1C[C@@H](C(=O)O)C\C1=C\F Amb27614489 [0,1,0,1,0,0|2,0,0]=4 3020 B11R1.48 O=C1N[C@H](C(=O)O)C[C@@H]1CF Amb28320761 [0,1,0,1,0,0|2,0,0]=4 3021 B11R1.90 NC(=O)CC[C@@H]1NCOC1=O Amb28255565 [0,1,0,1,0,0|1,0,0]=3 3022 B11R1.90 O=C(O)CCC1=CCOC1=O Amb27596612 [0,1,0,1,0,0|1,0,1]=4 3023 B11R1.90 O=C(O)CCC1=CONC1=O Amb27637001 [0,1,0,1,0,0|1,0,1]=4 3024 B11R1.90 O=C(O)CCC1C=NNC1=O Amb27966307 [0,1,0,1,0,0|1,0,1]=4 3025 B11R1.90 O=C(O)CCC1C=NOC1=O Amb27438724 [0,1,0,1,0,0|0,0,1]=3 3026 B11R1.90 O=C(O)CCC1CCCC1=O Amb17400002 [0,1,0,1,0,0|2,0,0]=4 3027 B11R1.90 O=C(O)CCC1CCOC1=O Amb10669454 [0,1,0,1,0,0|1,0,0]=3 3028 B11R1.90 O=C(O)CCC1CCSC1=O Amb27233557 [0,1,0,1,0,0|1,1,0]=4 3029 B11R1.90 O=C(O)CCC1N=CNC1=O Amb25028108 [0,1,0,1,0,0|1,0,1]=4 3030 B11R1.90 O=C(O)CCC1NCCC1O Amb27162121 [0,1,0,1,0,0|1,0,1]=4 3031 B11R1.90 O=C(O)CCN1CCOC1=O Amb6673441 [0,1,0,1,0,0|2,0,0]=4 3032 B11R1.90 O=C(O)CC[C@@H]1NCC[C@@H]1O Amb27640642 [0,1,0,1,0,0|1,0,1]=4 3033 B11R1.90 O=C(O)CSC1CCOC1=O Amb33535328 [0,1,0,1,0,0|2,0,0]=4 3034 B11R1.296 COC(=O)C(N)C1CC(=O)N1 Amb28368665 [0,1,0,1,0,0|1,0,0]=3 3035 B11R1.849 COC(=O)C1CC1CC(=O)O Amb26081648 [0,1,0,1,0,0|1,0,0]=3 3036 B11R1.849 COC(=O)[C@@H]1C[C@H]1CC(=O)O Amb26660739 [0,1,0,1,0,0|1,0,0]=3 3037 B11R1.853 COC(=O)C1CC(C(=O)O)C1 Amb22504357 [0,1,0,1,0,0|1,0,0]=3 3038 B11R1.853 COC(=O)C1CC(C(=O)O)N1 Amb27176562 [0,1,0,1,0,0|0,0,0]=2 3039 B11R1.853 COC(=O)C1CC(C(=O)[O-])C1 Amb34197082 [0,1,0,1,0,0|1,0,1]=4 3040 B11R1.853 COC(=O)C1CC(C(C)=O)C1 Amb25069415 [0,1,0,1,0,0|2,0,0]=4 3041 B11R1.853 COC(=O)C1CC(C(N)=O)C1 Amb27794863 [0,1,0,1,0,0|2,0,0]=4 3042 B11R1.853 COC(=O)[C@H]1C[C@@H](C(=O)O)C1 Amb7970124 [0,1,0,1,0,0|1,0,0]=3 3043 B11R1.853 COC(=O)[C@H]1C[C@@H](C(C)=O)C1 Amb28074663 [0,1,0,1,0,0|2,0,0]=4 3044 B11R1.853 COC(=O)[C@H]1C[C@@H](C(N)=O)C1 Amb28118959 [0,1,0,1,0,0|2,0,0]=4 3045 B11R1.853 COC(=O)[C@H]1C[C@H](C(=O)O)C1 Amb26446375 [0,1,0,1,0,0|1,0,0]=3 3046 B11R1.866 COC(=O)C1CCS(=O)(=O)N1 Amb26060657 [0,1,0,1,0,0|1,0,1]=4 3047 B11R1.885 COC(=O)C1(C)CCC(=O)C1 Amb23454224 [0,1,0,1,0,0|2,0,0]=4 3048 B11R1.885 COC(=O)C1(C)CCC(=O)N1 Amb23596470 [0,1,0,1,0,0|2,0,0]=4 3049 B11R1.885 COC(=O)C1(C)CCC(=O)O1 Amb28410378 [0,1,0,1,0,0|1,0,0]=3 3050 B11R1.885 COC(=O)C1(C)COC(=O)O1 Amb28069494 [0,1,0,1,0,0|2,0,0]=4 3051 B11R1.885 COC(=O)C1(N)CCC(O)C1 Amb29867577 [0,1,0,1,0,0|1,0,1]=4 3052 B11R1.885 COC(=O)[C@@]1(C)CCC(=O)N1 Amb32676967 [0,1,0,1,0,0|2,0,0]=4 3053 B11R1.888 COC(=O)[C@@]1(Cl)C[C@@H]1C(=O)O Amb33339044 [0,1,0,1,0,0|1,0,0]=3 3054 B11R1.3 O=CC1=CNC(C(=O)O)CC1 Amb33735075 [0,1,0,1,0,0|1,0,0]=3 3055 B11R1.226 COC(=O)C1CC(=O)C(Br)C1 Amb27756219 [0,1,0,1,0,0|2,0,0]=4 3056 B11R1.226 COC(=O)C1CC(N)C(O)C1 Amb25228978 [0,1,0,1,0,0|1,0,1]=4 3057 B11R1.226 COC(=O)C1CC(O)C(=O)O1 Amb27605255 [0,1,0,1,0,0|1,0,0]=3 3058 B11R1.226 COC(=O)C1C[C@H](N)[C@@H](O)C1 Amb27457656 [0,1,0,1,0,0|1,0,1]=4 3059 B11R1.226 COC(=O)[C@@H]1CC(O)C(=O)N1 Amb24392740 [0,1,0,1,0,0|2,0,0]=4 3060 B11R1.226 COC(=O)[C@@H]1C[C@@H](O)C(=O)N1 Amb27841236 [0,1,0,1,0,0|2,0,0]=4 3061 B11R1.226 COC(=O)[C@@H]1C[C@H](N)[C@@H](O)C1 Amb27419877 [0,1,0,1,0,0|1,0,1]=4 3062 B11R1.226 COC(=O)[C@@H]1C[C@H](O)C(=O)N1 Amb24555635 [0,1,0,1,0,0|2,0,0]=4 3063 B11R1.226 COC(=O)[C@@H]1C[C@H](O)C(=O)O1 Amb26922301 [0,1,0,1,0,0|1,0,0]=3 3064 B11R1.226 COC(=O)[C@H]1C[C@@H](N)C(=O)N1 Amb28051811 [0,1,0,1,0,0|1,0,0]=3 3065 B11R1.226 COC(=O)[C@H]1C[C@@H](N)[C@H](O)C1 Amb25263789 [0,1,0,1,0,0|1,0,1]=4 3066 B11R1.226 COC(=O)[C@H]1C[C@@H](O)C(=O)O1 Amb28249106 [0,1,0,1,0,0|1,0,0]=3 3067 B11R1.226 COC(=O)[C@H]1C[C@H](N)C(=O)N1 Amb27202006 [0,1,0,1,0,0|1,0,0]=3 3068 B11R1.226 NC1CC(C(O)CO)OC1=O Amb27794665 [0,1,0,1,0,0|0,0,2]=4 3069 B11R1.226 N[C@@H]1CC([C@H](O)CO)OC1=O Amb27470966 [0,1,0,1,0,0|0,0,2]=4 3070 B11R1.226 N[C@H]1C[C@@H]([C@@H](Cl)CO)OC1=O Amb28132386 [0,1,0,1,0,0|1,0,1]=4 3071 B11R1.868 CCC(=O)[C@@H]1C[C@@]1(C)C(=O)O Amb27440410 [0,1,0,1,0,0|2,0,0]=4 3072 B11R1.868 COC(=O)C1CC1(C)C(=O)O Amb27617493 [0,1,0,1,0,0|1,0,0]=3 3073 B11R1.868 COC(=O)C1CC1(C)C(C)=O Amb26477359 [0,1,0,1,0,0|2,0,0]=4 3074 B11R1.868 COC(=O)[C@@H]1C[C@]1(C)C(=O)O Amb32680275 [0,1,0,1,0,0|1,0,0]=3 3075 B11R1.892 COC(=O)C[C@@H]1C[C@H]1C(C)=O Amb28080099 [0,1,0,1,0,0|2,0,0]=4 3076 B11R1.892 COC(=O)C[C@H]1C[C@H]1C(C)=O Amb28080101 [0,1,0,1,0,0|2,0,0]=4 3077 B11R1.1073 NNC1(O)CCC(N)C(=O)O1 Amb27778444 [0,1,0,1,0,0|1,0,1]=4 3078 B11R1.1229 CC1(C(=O)O)CC\C(=N/O)C1 Amb27419969 [0,1,0,1,0,0|2,0,0]=4 3079 B11R1.1270 CN1C(=O)CCC1(C)C(=O)O Amb23515115 [0,1,0,1,0,0|2,0,0]=4 3080 B11R1.1270 CN1C(=O)CC[C@@]1(O)C(=O)O Amb27260856 [0,1,0,1,0,0|2,0,0]=4 3081 B11R1.62 CC[C@@H]1C(=O)N[C@H]1CC(=O)O Amb27439855 [0,1,0,1,0,0|2,0,0]=4 3082 B11R1.62 CC[C@H]1C(=O)N[C@@H]1CC(=O)O Amb27776770 [0,1,0,1,0,0|2,0,0]=4 3083 B11R1.416 C#CC1(C(=O)O)CCC(=O)N1 Amb27408646 [0,1,0,1,0,0|2,0,0]=4 3084 B11R1.416 CCC1(C(=O)O)CCC(=O)N1 Amb27759385 [0,1,0,1,0,0|2,0,0]=4 3085 B11R1.416 CCC1(C(=O)O)CCC(=O)O1 Amb17705275 [0,1,0,1,0,0|1,0,0]=3 3086 B11R1.416 CCC1(C(=O)O)CNC(=O)O1 Amb33735540 [0,1,0,1,0,0|2,0,0]=4 3087 B11R1.416 CC[C@@]1(C(=O)O)CCC(=O)N1 Amb28137973 [0,1,0,1,0,0|2,0,0]=4 3088 B11R1.416 CNC1(C(=O)O)CCC(O)C1 Amb29867397 [0,1,0,1,0,0|1,0,1]=4 3089 B11R1.416 NCC1(C(=O)O)CCC(=O)O1 Amb25060776 [0,1,0,1,0,0|0,0,0]=2 3090 B11R1.416 O=C1CCC(CCl)(C(=O)Cl)O1 Amb28324269 [0,1,0,1,0,0|2,0,0]=4 3091 B11R1.416 O=C1CCC(CCl)(C(=O)O)O1 Amb18648181 [0,1,0,1,0,0|1,0,0]=3 3092 B11R1.416 O=C1CCC(CO)(C(=O)O)O1 Amb27816272 [0,1,0,1,0,0|1,0,0]=3 3093 B11R1.416 O=C1CC[C@@](CO)(C(=O)O)N1 Amb27845485 [0,1,0,1,0,0|2,0,0]=4 3094 B11R1.418 CS[C@@]1(C(=O)O)C[C@@H]1C(=O)O Amb28051888 [0,1,0,1,0,0|1,0,0]=3 3095 B11R1.418 O=C(O)[C@@H]1C[C@]1(CO)C(=O)O Amb27768045 [0,1,0,1,0,0|1,0,0]=3 3096 B11R1.418 O=C(O)[C@H]1C[C@@]1(CO)C(=O)O Amb26023028 [0,1,0,1,0,0|1,0,0]=3 3097 B11R1.515 CN1C(C(=O)O)CCS1(=O)=O Amb27219337 [0,1,0,1,0,0|1,0,1]=4 3098 B11R1.674 CC1NC(=O)C1CCC(=O)O Amb27790507 [0,1,0,1,0,0|2,0,0]=4 3099 B11R1.674 C[C@@H]1NC(=O)[C@H]1CCC(=O)O Amb27852429 [0,1,0,1,0,0|2,0,0]=4 3100 B11R1.727 O=C(O)C1CCS(=O)(=O)CN1 Amb33299374 [0,1,0,1,0,0|1,0,1]=4 3101 B11R1.727 O=C(O)C1CCS(=O)(=O)CN1 Amb33482835 [0,1,0,1,0,0|1,0,1]=4 3102 B11R1.79 NC1CC(P(=O)(O)O)NC1=O Amb27759876 [0,1,0,1,0,0|2,0,0]=4 3103 B11R1.79 N[C@H]1C[C@H](P(=O)(O)O)NC1=O Amb27441114 [0,1,0,1,0,0|2,0,0]=4 3104 B11R1.733 CC1(C(=O)O)CC1P(=O)(O)O Amb27443055 [0,1,0,1,0,0|2,0,0]=4 3105 B11R1.733 CS(=O)(=O)C1CC1(N)C(=O)O Amb23454401 [0,1,0,1,0,0|1,0,1]=4 3106 B11R1.733 C[C@@]1(C(=O)O)C[C@@H]1P(=O)(O)O Amb28384093 [0,1,0,1,0,0|2,0,0]=4 3107 B11R1.487 CC1CC(C)(C(=O)O)OC1=O Amb25949608 [0,1,0,1,0,0|1,0,0]=3 3108 B11R1.487 CC1CC(O)(C(=O)O)OC1=O Amb27878675 [0,1,0,1,0,0|1,0,0]=3 3109 B11R1.487 C[C@]1(C(=O)O)C[C@H](N)C(=O)O1 Amb28246029 [0,1,0,1,0,0|0,0,0]=2 3110 B11R1.487 NC1(C(=O)O)CC(O)C(O)C1 Amb28435165 [0,1,0,1,0,0|1,0,1]=4 3111 B11R1.487 NC1(C(=O)O)C[C@H](O)[C@H](O)C1 Amb27831420 [0,1,0,1,0,0|1,0,1]=4 3112 B11R1.1387 CC1(C(N)=O)CC1(C)C(=O)O Amb27176470 [0,1,0,1,0,0|2,0,0]=4 3113 B11R1.1387 C[C@@]1(C(=O)O)C[C@@]1(C)C(=O)O Amb27195861 [0,1,0,1,0,0|1,0,0]=3 3114 B11R1.1387 C[C@]1(C(=O)O)C[C@@]1(C)C(=O)Cl Amb27489079 [0,1,0,1,0,0|2,0,0]=4 3115 B11R1.1387 C[C@]1(C(=O)O)C[C@@]1(C)C(=O)O Amb27873969 [0,1,0,1,0,0|1,0,0]=3 3116 B11R1.1387 C[C@]1(C(=O)O)C[C@@]1(Cl)C(=O)O Amb27231829 [0,1,0,1,0,0|1,0,0]=3 3117 B11R1.1387 C[C@]1(C(=O)O)C[C@]1(C)C(=O)O Amb27627524 [0,1,0,1,0,0|1,0,0]=3 3118 B11R2.839 O=C(O)[C@@H]1C[C@@H]2O[C@@H]2CN1 Amb27216871 [0,0,0,2,0,0|1,0,1]=4 3119 B11R2.612 O=C1N[C@@H](C(=O)O)[C@H]2C[C@@H]12 Amb35752797 [0,0,0,2,0,0|2,0,0]=4 3120 B11R2.1051 O=C1NC2(C(=O)O)CC1C2 Amb34199438 [0,0,0,2,0,0|2,0,0]=4 3121 B11R2.1841 NC(=O)C12CC1(C(=O)O)C2 Amb27627116 [0,0,0,2,0,0|2,0,0]=4 3122 B11R2.1841 O=C(O)C12CC1(C(=O)O)C2 Amb28397896 [0,0,0,2,0,0|1,0,0]=3 3123 B11R2.411 O=C1CC2CC2(C(=O)O)N1 Amb24480704 [0,0,0,2,0,0|2,0,0]=4 3124 B11R2.411 O=C1C[C@@H]2C[C@]2(C(=O)O)N1 Amb27784689 [0,0,0,2,0,0|2,0,0]=4 3125 B7R0.2 C=CC(C)CC(=O)O Amb18641774 [1,0,0,0,1,0|2,0,0]=4 3126 B7R0.2 C=CC(N)CC(=O)O Amb22641963 [1,0,0,0,1,0|1,0,0]=3 3127 B7R0.2 C=CC(N)CC(=O)O Amb31307621 [1,0,0,0,1,0|1,0,0]=3 3128 B7R0.2 C=CC(O)CC(=O)O Amb18641866 [1,0,0,0,1,0|2,0,0]=4 3129 B7R0.2 C=C[C@@H](C)CC(=O)O Amb27868377 [1,0,0,0,1,0|2,0,0]=4 3130 B7R0.2 C=C[C@@H](N)CC(=O)O Amb28315938 [1,0,0,0,1,0|1,0,0]=3 3131 B7R0.2 C=C[C@H](C)CC(=O)O Amb25791667 [1,0,0,0,1,0|2,0,0]=4 3132 B7R0.2 CC(=O)CC(N)CO Amb27240210 [1,0,0,0,1,0|1,0,1]=4 3133 B7R0.2 CC(=O)C[C@@H](C)C=O Amb27470883 [1,0,0,0,1,0|2,0,0]=4 3134 B7R0.2 CC(=O)C[C@H](C)C=O Amb24379584 [1,0,0,0,1,0|2,0,0]=4 3135 B7R0.2 CC(CO)CC(=O)O Amb18198168 [1,0,0,0,1,0|1,0,1]=4 3136 B7R0.2 CCC(N)CC(=O)O Amb1993862 [1,0,0,0,1,0|1,0,1]=4 3137 B7R0.2 CCC(N)CC(=O)O Amb8631361 [1,0,0,0,1,0|1,0,1]=4 3138 B7R0.2 CC[C@@H](N)CC(=O)O Amb22225305 [1,0,0,0,1,0|1,0,1]=4 3139 B7R0.2 CC[C@@H](N)CC(=O)O Amb8397198 [1,0,0,0,1,0|1,0,1]=4 3140 B7R0.2 CC[C@H](N)CC(=O)O Amb22226650 [1,0,0,0,1,0|1,0,1]=4 3141 B7R0.2 CC[C@H](N)CC(=O)O Amb8397197 [1,0,0,0,1,0|1,0,1]=4 3142 B7R0.2 C[C@H](CO)CC(=O)O Amb28040661 [1,0,0,0,1,0|1,0,1]=4 3143 B7R0.2 N#CC(N)CC(=O)O Amb27985578 [1,0,0,0,1,0|1,0,1]=4 3144 B7R0.2 NC(C=O)CC(=O)O Amb27669608 [1,0,0,0,1,0|0,0,0]=2 3145 B7R0.2 NC(CF)CC(=O)O Amb24428065 [1,0,0,0,1,0|1,0,1]=4 3146 B7R0.2 NC(CS)CC(=O)O Amb25090412 [1,0,0,0,1,0|0,1,1]=4 3147 B7R0.2 NCC(N)CC(=O)O Amb19515145 [1,0,0,0,1,0|1,0,1]=4 3148 B7R0.2 NCC(N)CC(=O)O Amb21858324 [1,0,0,0,1,0|1,0,1]=4 3149 B7R0.2 NC[C@@H](N)CC(=O)O Amb10603267 [1,0,0,0,1,0|1,0,1]=4 3150 B7R0.2 N[C@@H](CO)CC(=O)O Amb16184020 [1,0,0,0,1,0|0,0,1]=3 3151 B7R0.2 N[C@@H](CO)CC(=O)O Amb22388520 [1,0,0,0,1,0|0,0,1]=3 3152 B7R0.2 N[C@H](C=O)CC(=O)O Amb28428447 [1,0,0,0,1,0|0,0,0]=2 3153 B7R0.2 N[C@H](CO)CC(=O)O Amb2694944 [1,0,0,0,1,0|0,0,1]=3 3154 B7R0.2 N[C@H](CS)CC(=O)O Amb28326106 [1,0,0,0,1,0|0,1,1]=4 3155 B7R0.2 N\C(CC(=O)O)=N/O Amb8384544 [1,0,0,0,1,0|1,0,1]=4 3156 B7R0.2 O=C(O)CC(O)CO Amb28120003 [1,0,0,0,1,0|1,0,1]=4 3157 B7R0.2 O=C(O)C[C@H](O)CO Amb26353423 [1,0,0,0,1,0|1,0,1]=4 3158 B7R0.2 O=CN(O)CC(=O)O Amb25367291 [1,0,0,0,1,0|2,0,0]=4 3159 B7R0.16 C=C(Br)C(N)C(=O)O Amb28193255 [0,0,0,0,2,0|2,0,0]=4 3160 B7R0.16 C=C(C)C(N)C(=O)O Amb18641831 [0,0,0,0,2,0|2,0,0]=4 3161 B7R0.16 C=C(C)[C@@H](N)C(=O)O Amb26012631 [0,0,0,0,2,0|2,0,0]=4 3162 B7R0.16 CC(=O)C(N)C(=O)O Amb21962887 [0,0,0,0,2,0|1,0,0]=3 3163 B7R0.16 CC(=O)C(N)C(C)=O Amb18632931 [0,0,0,0,2,0|2,0,0]=4 3164 B7R0.16 CC(=O)C(N)C(C)=O Amb6893881 [0,0,0,0,2,0|2,0,0]=4 3165 B7R0.16 CC(C(=O)O)C(=O)O Amb6600127 [0,0,0,0,2,0|1,0,0]=3 3166 B7R0.16 CC(C(N)=O)C(=O)O Amb27401562 [0,0,0,0,2,0|2,0,0]=4 3167 B7R0.16 CC(O)C(N)C(=O)O Amb32665460 [0,0,0,0,2,0|1,0,1]=4 3168 B7R0.16 CC(O)C(N)C(=O)O Amb9703096 [0,0,0,0,2,0|1,0,1]=4 3169 B7R0.16 C[C@@H](O)C(N)C(=O)O Amb26397429 [0,0,0,0,2,0|1,0,1]=4 3170 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O Amb8514159 [0,0,0,0,2,0|1,0,1]=4 3171 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O Amb22351168 [0,0,0,0,2,0|1,0,1]=4 3172 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O Amb33623705 [0,0,0,0,2,0|1,0,1]=4 3173 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O Amb6599999 [0,0,0,0,2,0|1,0,1]=4 3174 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O Amb6297293 [0,0,0,0,2,0|1,0,1]=4 3175 B7R0.16 C[C@H](O)[C@H](N)C(=O)O Amb32663639 [0,0,0,0,2,0|1,0,1]=4 3176 B7R0.16 C[C@H](O)[C@H](N)C(=O)O Amb8514158 [0,0,0,0,2,0|1,0,1]=4 3177 B7R0.16 C\C(O)=C(\N)C(=O)O Amb27191761 [0,0,0,0,2,0|1,0,1]=4 3178 B7R0.16 NC(=O)C(N)C(N)=O Amb518675 [0,0,0,0,2,0|2,0,0]=4 3179 B7R0.16 NC(=O)[C@H](N)C(=O)O Amb28397054 [0,0,0,0,2,0|1,0,0]=3 3180 B7R0.16 NC(C(=O)O)C(=O)O Amb10603956 [0,0,0,0,2,0|0,0,0]=2 3181 B7R0.16 N[C@@H](C(=O)O)S(=O)O Amb28125643 [0,0,0,0,2,0|1,0,0]=3 3182 B7R0.16 N[C@H](C(=O)O)C(O)O Amb27867398 [0,0,0,0,2,0|0,0,2]=4 3183 B7R0.16 O=C(O)C(=O)C(=O)O Amb18641943 [0,0,0,0,2,0|1,0,1]=4 3184 B7R0.16 O=C(O)C(Br)C(=O)O Amb17594708 [0,0,0,0,2,0|1,0,0]=3 3185 B7R0.16 O=C(O)C(F)C(=O)O Amb24055884 [0,0,0,0,2,0|1,0,0]=3 3186 B7R0.16 O=C(O)C(O)C(=O)O Amb1215315 [0,0,0,0,2,0|1,0,0]=3 3187 B7R0.16 O=C(O)C(S)C(=O)O Amb28346986 [0,0,0,0,2,0|1,0,0]=3 3188 B9R0.4 C=CCCC(N)CC(=O)O Amb22641959 [1,0,0,0,0,1|1,0,0]=3 3189 B9R0.4 C=CCCC(N)CC(=O)O Amb31307612 [1,0,0,0,0,1|1,0,0]=3 3190 B9R0.4 C=CCCC(N)CC(N)=O Amb25367476 [1,0,0,0,0,1|2,0,0]=4 3191 B9R0.4 C=CCC[C@@H](C)CC(=O)O Amb27390713 [1,0,0,0,0,1|2,0,0]=4 3192 B9R0.4 C=CCC[C@H](N)CC(=O)O Amb10066917 [1,0,0,0,0,1|1,0,0]=3 3193 B9R0.4 CC(=O)CC(C)CCC=O Amb27838122 [1,0,0,0,0,1|2,0,0]=4 3194 B9R0.4 CC(CCC=O)CC(=O)O Amb28251065 [1,0,0,0,0,1|1,0,0]=3 3195 B9R0.4 CC(CCCO)CC(=O)O Amb28050163 [1,0,0,0,0,1|1,0,1]=4 3196 B9R0.4 CCCCC(N)CC(=O)O Amb1993866 [1,0,0,0,0,1|1,0,1]=4 3197 B9R0.4 CCCCC(N)CC(=O)O Amb31307613 [1,0,0,0,0,1|1,0,1]=4 3198 B9R0.4 CCCC[C@@H](N)CC(=O)O Amb26612752 [1,0,0,0,0,1|1,0,1]=4 3199 B9R0.4 CCCC[C@@H](N)CC(=O)O Amb32663769 [1,0,0,0,0,1|1,0,1]=4 3200 B9R0.4 CCCC[C@H](N)CC(=O)O Amb27154618 [1,0,0,0,0,1|1,0,1]=4 3201 B9R0.4 CNCC[C@@H](N)CC(=O)O Amb24117036 [1,0,0,0,0,1|2,0,0]=4 3202 B9R0.4 COCCC(N)CC(=O)O Amb32687893 [1,0,0,0,0,1|2,0,0]=4 3203 B9R0.4 CSCCC(N)CC(=O)O Amb22353181 [1,0,0,0,0,1|2,0,0]=4 3204 B9R0.4 CSCCC(N)CC(=O)O Amb30666600 [1,0,0,0,0,1|2,0,0]=4 3205 B9R0.4 CSCC[C@@H](N)CC(=O)O Amb26930581 [1,0,0,0,0,1|2,0,0]=4 3206 B9R0.4 CSCC[C@H](N)CC(=O)O Amb16184019 [1,0,0,0,0,1|2,0,0]=4 3207 B9R0.4 C[C@@H](CCC=O)CC(=O)O Amb27614920 [1,0,0,0,0,1|1,0,0]=3 3208 B9R0.4 NCCCC(N)CC(=O)O Amb18644278 [1,0,0,0,0,1|1,0,1]=4 3209 B9R0.4 NCCCC(N)CC(=O)O Amb32753541 [1,0,0,0,0,1|1,0,1]=4 3210 B9R0.4 NCCC[C@@H](N)CC(=O)O Amb24117039 [1,0,0,0,0,1|1,0,1]=4 3211 B9R0.4 NCCC[C@@H](N)CC(=O)O Amb24117927 [1,0,0,0,0,1|1,0,1]=4 3212 B9R0.4 NCCC[C@H](N)CC(=O)O Amb25757485 [1,0,0,0,0,1|1,0,1]=4 3213 B9R0.4 NCCC[C@H](N)CC(=O)O Amb32684506 [1,0,0,0,0,1|1,0,1]=4 3214 B9R0.55 C=C(C)COCCC(=O)O Amb27882463 [1,0,0,0,0,1|2,0,0]=4 3215 B9R0.55 C=C(Cl)CNCCC(=O)O Amb9326413 [1,0,0,0,0,1|2,0,0]=4 3216 B9R0.55 C=C(F)CCCCC(=O)O Amb27949889 [1,0,0,0,0,1|2,0,0]=4 3217 B9R0.55 CC(=O)CCCCC(=O)O Amb3939946 [1,0,0,0,0,1|1,0,0]=3 3218 B9R0.55 CC(=O)CCCCC(C)=O Amb17593600 [1,0,0,0,0,1|2,0,0]=4 3219 B9R0.55 CC(=O)CCCNC(C)=O Amb28194645 [1,0,0,0,0,1|2,0,0]=4 3220 B9R0.55 CC(=O)CCCOC(C)=O Amb1033031 [1,0,0,0,0,1|2,0,0]=4 3221 B9R0.55 CC(=O)CCNCC(=O)O Amb32675828 [1,0,0,0,0,1|1,0,0]=3 3222 B9R0.55 CC(=O)CCOCC(=O)O Amb27241199 [1,0,0,0,0,1|1,0,0]=3 3223 B9R0.55 CC(=O)CCSCC(=O)O Amb24443138 [1,0,0,0,0,1|1,0,0]=3 3224 B9R0.55 CC(=O)CC\C=C\C(=O)O Amb17593589 [1,0,0,0,0,1|1,0,1]=4 3225 B9R0.55 CC(=O)NCCCC(=O)O Amb2778749 [1,0,0,0,0,1|1,0,0]=3 3226 B9R0.55 CC(=O)NOCCC(=O)O Amb27252126 [1,0,0,0,0,1|2,0,0]=4 3227 B9R0.55 CC(=O)OCCCC(=O)O Amb24480808 [1,0,0,0,0,1|1,0,0]=3 3228 B9R0.55 CC(=O)SCCCC(=O)O Amb26356321 [1,0,0,0,0,1|1,0,0]=3 3229 B9R0.55 CC(O)CSCCC(=O)O Amb18792572 [1,0,0,0,0,1|1,0,1]=4 3230 B9R0.55 CS(=O)CCCCC(=O)O Amb18788305 [1,0,0,0,0,1|2,0,0]=4 3231 B9R0.55 CS(=O)CCSCC(=O)O Amb27236300 [1,0,0,0,0,1|2,0,0]=4 3232 B9R0.55 C\C(Br)=C/CCCC(=O)O Amb27798317 [1,0,0,0,0,1|2,0,0]=4 3233 B9R0.55 N=C(N)NCCCC(=O)O Amb9813713 [1,0,0,0,0,1|2,0,0]=4 3234 B9R0.55 NC(=O)CCCCC(=O)O Amb9391119 [1,0,0,0,0,1|1,0,0]=3 3235 B9R0.55 NC(=O)CCCCC(N)=O Amb2793081 [1,0,0,0,0,1|2,0,0]=4 3236 B9R0.55 NC(=O)CONCC(=O)O Amb27215866 [1,0,0,0,0,1|2,0,0]=4 3237 B9R0.55 NC(=O)CSCCC(=O)O Amb6664956 [1,0,0,0,0,1|1,0,0]=3 3238 B9R0.55 NC(=O)NCCCC(=O)O Amb1104859 [1,0,0,0,0,1|1,0,0]=3 3239 B9R0.55 NC(=O)NCNCC(=O)O Amb27446531 [1,0,0,0,0,1|2,0,0]=4 3240 B9R0.55 NC(=S)NCCCC(=O)O Amb27649643 [1,0,0,0,0,1|1,1,0]=4 3241 B9R0.55 O=C(Cl)CCCCC(=O)Cl Amb3940243 [1,0,0,0,0,1|2,0,0]=4 3242 B9R0.55 O=C(O)C#CCCC(=O)O Amb28050167 [1,0,0,0,0,1|0,0,1]=3 3243 B9R0.55 O=C(O)CCCC=C(F)F Amb27831187 [1,0,0,0,0,1|2,0,0]=4 3244 B9R0.55 O=C(O)CCCCC(=O)Cl Amb27614847 [1,0,0,0,0,1|1,0,0]=3 3245 B9R0.55 O=C(O)CCCCC(=O)O Amb22167453 [1,0,0,0,0,1|0,0,0]=2 3246 B9R0.55 O=C(O)CCCCC(=O)O Amb22336279 [1,0,0,0,0,1|0,0,0]=2 3247 B9R0.55 O=C(O)CCCCC(=O)O Amb2793031 [1,0,0,0,0,1|0,0,0]=2 3248 B9R0.55 O=C(O)CCCCC(O)O Amb28143854 [1,0,0,0,0,1|0,0,2]=4 3249 B9R0.55 O=C(O)CCNCC(=O)O Amb18098292 [1,0,0,0,0,1|0,0,0]=2 3250 B9R0.55 O=C(O)CNNCC(=O)O Amb23438062 [1,0,0,0,0,1|1,0,0]=3 3251 B9R0.55 O=C(O)CSSCC(=O)O Amb8395267 [1,0,0,0,0,1|1,0,0]=3 3252 B9R0.55 O=C(O)C\C=C\CC(=O)O Amb4037278 [1,0,0,0,0,1|0,0,1]=3 3253 B9R0.55 O=C(O)C\N=N/CC(=O)O Amb28188728 [1,0,0,0,0,1|1,0,0]=3 3254 B9R0.55 O=C(O)C\N=N\CC(=O)O Amb27882019 [1,0,0,0,0,1|1,0,0]=3 3255 B9R0.55 O=C(O)\C=C\CCC(=O)O Amb20622952 [1,0,0,0,0,1|0,0,1]=3 3256 B9R0.55 O=C(O)\C=C\SCC(=O)O Amb18645625 [1,0,0,0,0,1|0,0,2]=4 3257 B9R0.55 O=C([O-])CCCCC(=O)[O-] Amb22168121 [1,0,0,0,0,1|0,0,2]=4 3258 B11R0.85 CN(CCC(=O)O)CCC(=O)O Amb16187108 [0,0,0,0,0,2|2,0,0]=4 3259 B11R0.85 CN(CCC(=O)O)CCC(=O)O Amb24117217 [0,0,0,0,0,2|2,0,0]=4 3260 B11R0.85 NC(CCC(=O)O)CCC(=O)O Amb32664379 [0,0,0,0,0,2|0,0,0]=2 3261 B11R0.85 NC(CCC(=O)O)CCC(=O)O Amb33473618 [0,0,0,0,0,2|0,0,0]=2 3262 B11R0.85 O=C(O)CCC(=O)CCC(=O)O Amb6296610 [0,0,0,0,0,2|1,0,1]=4 3263 B11R0.85 O=C(O)CCC(=O)NCC(=O)O Amb17940408 [0,0,0,0,0,2|1,0,1]=4 3264 B11R0.85 O=C(O)CCS(=O)CCC(=O)O Amb4086179 [0,0,0,0,0,2|2,0,0]=4 3265 B11R0.29 CC(=O)C(C)CCCCC(=O)O Amb20668227 [0,0,0,0,0,2|2,0,0]=4 3266 B11R0.29 CC(=O)CCCCC(N)C(=O)O Amb33065945 [0,0,0,0,0,2|1,0,0]=3 3267 B11R0.29 CC(=O)CCCCC(N)C(N)=O Amb33308578 [0,0,0,0,0,2|2,0,0]=4 3268 B11R0.29 CC(=O)CCCC[C@@H](N)C(=O)O Amb33066091 [0,0,0,0,0,2|1,0,0]=3 3269 B11R0.29 CC(=O)CCCC[C@H](N)C(=O)O Amb33037049 [0,0,0,0,0,2|1,0,0]=3 3270 B11R0.29 CC(=O)NCCNC(C)C(=O)O Amb33068968 [0,0,0,0,0,2|2,0,0]=4 3271 B11R0.29 CC(=O)NCCNC(C)C(=O)O Amb9326973 [0,0,0,0,0,2|2,0,0]=4 3272 B11R0.29 CC(=O)NCSCC(N)C(=O)O Amb30623754 [0,0,0,0,0,2|1,0,0]=3 3273 B11R0.29 CC(=O)NCSC[C@@H](N)C(=O)O Amb22745261 [0,0,0,0,0,2|1,0,0]=3 3274 B11R0.29 CC(=O)NCSC[C@@H](N)C(=O)O Amb23438964 [0,0,0,0,0,2|1,0,0]=3 3275 B11R0.29 CC(=O)NCSC[C@H](N)C(=O)O Amb22349445 [0,0,0,0,0,2|1,0,0]=3 3276 B11R0.29 CC(C)=CCSCC(N)C(=O)O Amb9726238 [0,0,0,0,0,2|2,0,0]=4 3277 B11R0.29 CC(C)=CCSC[C@H](N)C(=O)O Amb30584848 [0,0,0,0,0,2|2,0,0]=4 3278 B11R0.29 CC(SCCCC(=O)O)C(=O)O Amb17503620 [0,0,0,0,0,2|1,0,0]=3 3279 B11R0.29 N=C(N)NCCCC(N)C(=O)O Amb1151252 [0,0,0,0,0,2|2,0,0]=4 3280 B11R0.29 N=C(N)NCCCC(N)C(=O)O Amb32644498 [0,0,0,0,0,2|2,0,0]=4 3281 B11R0.29 N=C(N)NCCCC(N)C(=O)O Amb32664990 [0,0,0,0,0,2|2,0,0]=4 3282 B11R0.29 N=C(N)NCCCC(N)C(=O)O Amb6609047 [0,0,0,0,0,2|2,0,0]=4 3283 B11R0.29 N=C(N)NCCCC(N)C(=O)O Amb8387122 [0,0,0,0,0,2|2,0,0]=4 3284 B11R0.29 N=C(N)NCCC[C@@H](N)C(=O)O Amb22745064 [0,0,0,0,0,2|2,0,0]=4 3285 B11R0.29 N=C(N)NCCC[C@@H](N)C(=O)O Amb22745189 [0,0,0,0,0,2|2,0,0]=4 3286 B11R0.29 N=C(N)NCCC[C@@H](N)C(=O)O Amb22745210 [0,0,0,0,0,2|2,0,0]=4 3287 B11R0.29 N=C(N)NCCC[C@@H](N)C(=O)O Amb22745921 [0,0,0,0,0,2|2,0,0]=4 3288 B11R0.29 N=C(N)NCCC[C@@H](N)C(=O)O Amb22801409 [0,0,0,0,0,2|2,0,0]=4 3289 B11R0.29 N=C(N)NCCC[C@@H](N)C(=O)O Amb2718762 [0,0,0,0,0,2|2,0,0]=4 3290 B11R0.29 N=C(N)NCCC[C@@H](N)C(=O)O Amb2720084 [0,0,0,0,0,2|2,0,0]=4 3291 B11R0.29 N=C(N)NCCC[C@@H](N)C(=O)O Amb32411788 [0,0,0,0,0,2|2,0,0]=4 3292 B11R0.29 N=C(N)NCCC[C@H](N)C(=O)O Amb16232497 [0,0,0,0,0,2|2,0,0]=4 3293 B11R0.29 N=C(N)NCCC[C@H](N)C(=O)O Amb17942891 [0,0,0,0,0,2|2,0,0]=4 3294 B11R0.29 N=C(N)NCCC[C@H](N)C(=O)O Amb2698266 [0,0,0,0,0,2|2,0,0]=4 3295 B11R0.29 N=C(N)NCCC[C@H](N)C(=O)O Amb2759781 [0,0,0,0,0,2|2,0,0]=4 3296 B11R0.29 N=C(N)NCCC[C@H](N)C(=O)O Amb32644822 [0,0,0,0,0,2|2,0,0]=4 3297 B11R0.29 N=C(N)NCCC[C@H](N)C(=O)O Amb3940700 [0,0,0,0,0,2|2,0,0]=4 3298 B11R0.29 N=C(N)NOCCC(N)C(=O)O Amb22261558 [0,0,0,0,0,2|2,0,0]=4 3299 B11R0.29 NC(=O)NCCCC(N)C(=O)O Amb3499394 [0,0,0,0,0,2|1,0,0]=3 3300 B11R0.29 NC(=O)NCCC[C@@H](N)C(=O)O Amb8629519 [0,0,0,0,0,2|1,0,0]=3 3301 B11R0.29 NC(=O)NCCC[C@H](N)C(=O)O Amb22169596 [0,0,0,0,0,2|1,0,0]=3 3302 B11R0.29 NC(=O)NCCC[C@H](N)C(=O)O Amb2718751 [0,0,0,0,0,2|1,0,0]=3 3303 B11R0.29 NC(CCCCC(=O)O)C(=O)O Amb2760482 [0,0,0,0,0,2|0,0,0]=2 3304 B11R0.29 NC(CCSCC(=O)O)C(=O)O Amb32660941 [0,0,0,0,0,2|0,0,0]=2 3305 B11R0.29 NC(CCSCC(=O)O)C(=O)O Amb33552542 [0,0,0,0,0,2|0,0,0]=2 3306 B11R0.29 NC(CC\C=C\C(=O)O)C(=O)O Amb32686887 [0,0,0,0,0,2|0,0,0]=2 3307 B11R0.29 NC(CC\C=C\C(=O)O)C(=O)O Amb33470155 [0,0,0,0,0,2|0,0,0]=2 3308 B11R0.29 NC(N)=NCCCC(N)C(=O)O Amb19866551 [0,0,0,0,0,2|2,0,0]=4 3309 B11R0.29 N[C@@H](CCCCC(=O)O)C(=O)O Amb22746360 [0,0,0,0,0,2|0,0,0]=2 3310 B11R0.29 O=C(O)CCCCC(=O)C(=O)O Amb33470212 [0,0,0,0,0,2|1,0,1]=4 3311 B11R0.29 O=C(O)CCSCC(=O)C(=O)O Amb33069682 [0,0,0,0,0,2|1,0,1]=4